A0A096MN16_PAPAN Loading...

VWFA and cache domain-containing protein 1

May regulate voltage-dependent calcium channels.

AlphaFold DB (A0A2K6N1N0), UniProt , Accession A0A096MN16, Species PAPAN (Papio anubis, Olive baboon), Gene CACHD1, Length 1,274 aa.

						>A0A096MN16_PAPAN|A0A096MN16|CACHD1
MARQPEEEETAGARALRPPLWLLCLVACWLLGAGAEADFSILDEAQVLASQMRRLAVEELGVVTMQRIFNSFVYTEKISNGESEVQQLAKKIREKFNRYLDVVNRNKQVVEASYTAHLTSPLTAIQDCCTIPPSMMEFDGSFNTNVSRTISCDRLSTTVNSRAFNPGRDLNSVLADNLKSNPGIKWQYFSSEEGIFTVFPAHKFRCKGSYEHRSRPIYVSTVRPQSKHIVVILDHGASVTDTQLQIAKDAAQVILSAIDEHDKISVLTVADTVRTCSLDQCYKTFLSPATSETKRKMSTFVSNVKSSDSPTQHAVGFQKAFQLIRSTNNNTKFQANTDMVIIYLSAGITSKDSSEEDKKATLRVINEENSFLNNSVMILTYALMNDGVTGLKELAFLRDLAEQNSGKYGVPDRTALPVIKGSMMVLNQLSNLETTVGRFYTNLPNRMIDEAVFSLPFSDEMGDGLIMTVSKPCYFGNLLLGIVGVDVNLAYILEDVTYYQDSLASYTFLIDDKGYTLMHPSLTRPYLLSEPPLHTDIIHYENIPKFELVRQNILSLPLGSQIIAVPVNSSLSWHINKLRETGKEAYNVSYAWKMVQDTSFILCIVVIQPEIPVKQLKNLNTVPSSKLLYHRLDLLGQPSACLHFKQLATLESPTVMLSAGSFSSPYEHLSQPETKRMVEHYTAYLSDNTRLIANPGLKFSVRNEVMATSHVTDEWMTQMEMSSLNTYIVRRYIATPNGVLRIYPGSLMDKAFDPTRRQWYLHAVANPGLISLTGPYLDVGGAGYVVTISHTIHSSSTQLSSGHTVAVMGIDFTLRYFYKVLMDLLPVCNQDGGNKIRCFIMEDRGYLVAHPTLIDPKGHAPVEQQHITHKEPLVANDILNHPNFVKKNLCNSFSDRTVQRFYKFNTSLAGDLTNLVHGSHCSKYRLARIPGTNAFVGIVNETCDSLAFCACSMVDRLCLNCHRMEQNECECPCECPLEVNECTGNLTNAENRNPSCEVHQEPVTYTAIDPGLQDALHQCVNSRCSQRLESGDCFGVLDCEWCMVDSDGKTHLDKSYCAPQKECFGGIVGAKSPYVDDMGAIGDEVITLNMIKSAPVGPVAGGIMGCIMVLVLAVYAYRHQIHRRSHQHMSPLAAQEMSVRMSNLENDRDERDDDSHEDRGIISNTRFIAAVIERHAHSPERRRRYWGRSGTESDHGYSTMSPQEDSENPPCNNDPLSAGVDVGNHDEDLDLDTPPQTAALLSHKFHHYRSHHPTLHHSHHLQAAVTVHTVDAEC
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.8	Very low	31.7	Very low	237 Å²	237	161.9 Å²	161.9	100%	1.167	84%	0.839	S	S	*	*				0	118.1	0	-68.4	159	177	0	0	105.3
2	A	30.3	Very low	31.3	Very low	93 Å²	93	154.6 Å²	154.6	77%	0.769	83%	0.832	S	S	*	*				61.5	123.8	75.8	0	0	0	0	0	110.9
3	R	28.4	Very low	31.1	Very low	244 Å²	244	150.2 Å²	150.2	92%	0.921	83%	0.83	S	S	*	*			cis	-158.3	164.3	8.3	-120.7	176.6	-175.2	167.3	-1.8	109.6
4	Q	34.3	Very low	30.9	Very low	180 Å²	180	157.7 Å²	157.7	84%	0.841	84%	0.84	S	S	*	*			trans	-73.7	170.6	159.3	-71.9	173	-85	0	0	110.7
5	P	47.8	Very low	31.1	Very low	100 Å²	100	153.8 Å²	153.8	65%	0.649	84%	0.838	S	S	*	*				-139.2	157.9	105.2	18.4	3.4	0	0	0	116.5
6	E	27.9	Very low	31.2	Very low	174 Å²	174	155 Å²	155	81%	0.813	84%	0.843	S	S	*	*			trans	45.9	133	134.8	-62	139.8	-171.2	0	0	121
7	E	31.1	Very low	31.7	Very low	182 Å²	182	159.7 Å²	159.7	85%	0.85	85%	0.845	S	S	*	*			cis	92.2	107.1	10.8	-157.5	171.6	-126.2	0	0	118.4
8	E	26.9	Very low	31.9	Very low	188 Å²	188	157 Å²	157	88%	0.879	84%	0.838	S	S	*	*			trans	-149	126.4	153.8	-81	-174.5	133.8	0	0	105.4
9	E	30.6	Very low	32.4	Very low	166 Å²	166	154.2 Å²	154.2	78%	0.776	83%	0.829	S	S	*	*				71.2	135.1	59.2	-70.2	-120.6	128.6	0	0	114.6
10	T	29.8	Very low	33.2	Very low	109 Å²	109	153.2 Å²	153.2	67%	0.669	82%	0.823	S	S	*	*			cis	-160.4	154.8	-10.2	14.1	0	0	0	0	111.7
11	A	28.8	Very low	33.6	Very low	108 Å²	108	156.2 Å²	156.2	89%	0.893	82%	0.823	S	S	*	*			trans	51.9	151	158.3	0	0	0	0	0	120.5
12	G	27.4	Very low	34	Very low	74 Å²	74	151.3 Å²	151.3	76%	0.763	80%	0.801	S	S	*	*			cis	166.5	-177.5	4.6	0	0	0	0	0	108.6
13	A	28.5	Very low	34.6	Very low	97 Å²	97	153.4 Å²	153.4	80%	0.802	80%	0.799	S	S	*	*			cis	-168.4	171.3	-11.1	0	0	0	0	0	110.5
14	R	28.7	Very low	35.3	Very low	256 Å²	256	145.8 Å²	145.8	97%	0.966	78%	0.781	S	S	*	*			trans	76.9	131.6	172	-70.1	-173.9	171.8	173.6	-0.6	119.5
15	A	33.4	Very low	35.7	Very low	99 Å²	99	143 Å²	143	82%	0.818	77%	0.772	S	S	*	*			trans	-99	159.7	-170.8	0	0	0	0	0	114.8
16	L	32	Very low	35.5	Very low	173 Å²	173	142.6 Å²	142.6	91%	0.906	77%	0.767	S	S	*	*			trans	-146.6	135.3	154.5	-104.4	161.9	0	0	0	108.3
17	R	40	Very low	36.1	Very low	235 Å²	235	136.8 Å²	136.8	89%	0.887	75%	0.749	S	S	*	*			trans	-110.8	124.7	-178.5	-85	-173.4	173.5	-176.6	-1.8	112.1
18	P	36.4	Very low	36.5	Very low	111 Å²	111	132.4 Å²	132.4	72%	0.721	74%	0.737	S	S	*	*			trans	-93	171.5	149.1	-1.6	22.5	0	0	0	111.2
19	P	41.1	Very low	36.9	Very low	103 Å²	103	134.2 Å²	134.2	67%	0.669	74%	0.736	S	S	*	*			trans	-84.3	152.5	-166.9	32.7	-36	0	0	0	115.4	W21	P19-W21 PolarHBondContact O-N 3.2Å; P19-W21 VanDerWaalsContact O-N 3.08Å
20	L	48	Very low	37.1	Very low	135 Å²	135	132.9 Å²	132.9	71%	0.707	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	-15.5	-174.4	-97.2	72.9	0	0	0	116.4	L22 L23	L20-L22 PolarHBondContact O-N 3.19Å; L20-L23 PolarHBondContact O-N 3.39Å
21	W	42.1	Very low	37.5	Very low	217 Å²	217	134.9 Å²	134.9	82%	0.822	74%	0.739	S	S	*	*	H	α-helix	trans	-68.5	-26.6	-166	-99.1	52	0	0	0	115.6	P19	P19-W21 PolarHBondContact O-N 3.2Å; P19-W21 VanDerWaalsContact O-N 3.08Å
22	L	41.3	Very low	37.6	Very low	134 Å²	134	133 Å²	133	70%	0.702	73%	0.731	S	S	*	*	H	α-helix	trans	-77.5	-22.2	178.9	-84.9	94.2	0	0	0	114.1	L20	L20-L22 PolarHBondContact O-N 3.19Å
23	L	43.2	Very low	37.8	Very low	137 Å²	137	133.4 Å²	133.4	72%	0.717	73%	0.727	S	S	*	*	H	α-helix	trans	-74	-32.7	-179.6	-86.3	162.7	0	0	0	112.7	L20 L25 V26 A27	L20-L23 PolarHBondContact O-N 3.39Å; L23-L25 VanDerWaalsContact C-N 3.34Å; L23-L25 PolarHBondContact O-N 3.44Å; L23-V26 PolarHBondContact O-N 3.17Å; L23-A27 WeakPolarHBondContact O-CB 3.4Å; L23-A27 PolarHBondContact O-N 2.83Å; L23-A27 VanDerWaalsContact O-N 3.11Å
24	C	42.5	Very low	38.1	Very low	83 Å²	83	132.6 Å²	132.6	56%	0.561	73%	0.728	S	S	*	*	H	α-helix	trans	-64.3	-36.8	177.6	-64.4	0	0	0	0	112.7	A27 C28	C24-A27 PolarHBondContact O-N 2.91Å; C24-C28 PolarHBondContact O-N 2.88Å; C24-C28 PolarHBondContact O-SG 3.27Å
25	L	41.9	Very low	38.2	Very low	122 Å²	122	125 Å²	125	64%	0.639	72%	0.72	S	S	*	*	H	α-helix	trans	-70.9	-35.6	-179.2	-78.9	164.7	0	0	0	112.9	L23 W29	L23-L25 VanDerWaalsContact C-N 3.34Å; L23-L25 PolarHBondContact O-N 3.44Å; L25-W29 PolarHBondContact O-N 3.43Å
26	V	43.2	Very low	38.3	Very low	92 Å²	92	129.3 Å²	129.3	56%	0.558	72%	0.723	S	S	*	*	H	α-helix	trans	-72.7	-38.8	175	-177.9	0	0	0	0	111.1	L23 C28 W29 L30	L23-V26 PolarHBondContact O-N 3.17Å; V26-C28 VanDerWaalsContact C-N 3.35Å; V26-C28 PolarHBondContact O-N 2.79Å; V26-W29 PolarHBondContact O-N 3.3Å; V26-L30 HydrophobicContact CG1-CD1 4.42Å; V26-L30 PolarHBondContact O-N 2.97Å
27	A	41.4	Very low	38.7	Very low	51 Å²	51	125.4 Å²	125.4	42%	0.421	72%	0.716	S	S	.	*	H	α-helix	trans	-61.5	-40.7	174.7	0	0	0	0	0	112.5	L23 C24 W29 L30 L31	L23-A27 WeakPolarHBondContact O-CB 3.4Å; L23-A27 PolarHBondContact O-N 2.83Å; L23-A27 VanDerWaalsContact O-N 3.11Å; C24-A27 PolarHBondContact O-N 2.91Å; A27-W29 VanDerWaalsContact C-N 3.27Å; A27-W29 PolarHBondContact O-N 2.91Å; A27-L30 PolarHBondContact O-N 3.09Å; A27-L31 PolarHBondContact O-N 3.12Å
28	C	38.9	Very low	39.3	Very low	90 Å²	90	122 Å²	122	61%	0.608	72%	0.715	S	S	*	*	H	α-helix	trans	-67.8	-22.5	177.6	-66.7	0	0	0	0	113.9	C24 V26	C24-C28 PolarHBondContact O-N 2.88Å; C24-C28 PolarHBondContact O-SG 3.27Å; V26-C28 VanDerWaalsContact C-N 3.35Å; V26-C28 PolarHBondContact O-N 2.79Å
29	W	34.8	Very low	40.8	Very low	227 Å²	227	119.8 Å²	119.8	86%	0.86	69%	0.694	S	S	*	*	H	α-helix	trans	-86.3	-19.7	175.9	-91.7	58.7	0	0	0	113.9	L25 V26 A27	L25-W29 PolarHBondContact O-N 3.43Å; V26-W29 PolarHBondContact O-N 3.3Å; A27-W29 VanDerWaalsContact C-N 3.27Å; A27-W29 PolarHBondContact O-N 2.91Å
30	L	35.5	Very low	42.8	Very low	138 Å²	138	116.8 Å²	116.8	72%	0.723	68%	0.676	S	S	*	*	H	α-helix	trans	-92.3	-13.2	175.2	-75.1	167.3	0	0	0	113.9	V26 A27 G32	V26-L30 HydrophobicContact CG1-CD1 4.42Å; V26-L30 PolarHBondContact O-N 2.97Å; A27-L30 PolarHBondContact O-N 3.09Å; L30-G32 VanDerWaalsContact C-N 3.26Å
31	L	37.4	Very low	44.6	Very low	150 Å²	150	110.4 Å²	110.4	79%	0.785	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	5.4	166.4	-69.2	168.3	0	0	0	113	A27	A27-L31 PolarHBondContact O-N 3.12Å
32	G	32.5	Very low	46.8	Very low	69 Å²	69	103.6 Å²	103.6	71%	0.711	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	3.3	177	0	0	0	0	0	115.1	L30	L30-G32 VanDerWaalsContact C-N 3.26Å
33	A	31.1	Very low	49.1	Very low	82 Å²	82	102.3 Å²	102.3	68%	0.678	62%	0.616	S	S	*	*	S	Bend	trans	-92.1	120.4	170	0	0	0	0	0	109	A35	A33-A35 PolarHBondContact O-N 3.01Å; A33-A35 VanDerWaalsContact O-N 3.08Å
34	G	35.1	Very low	51.3	Low	80 Å²	80	97.4 Å²	97.4	83%	0.825	59%	0.589	S	S	*	*			trans	-66.3	108	-179.2	0	0	0	0	0	111.5	E36	G34-E36 PolarHBondContact O-N 2.98Å
35	A	30.5	Very low	53.7	Low	97 Å²	97	93.5 Å²	93.5	80%	0.802	56%	0.563	S	S	*	*			trans	-74.8	101.4	160.2	0	0	0	0	0	107.9	A33 A37	A33-A35 PolarHBondContact O-N 3.01Å; A33-A35 VanDerWaalsContact O-N 3.08Å; A35-A37 PolarHBondContact O-N 3.08Å; A35-A37 VanDerWaalsContact O-N 3.13Å
36	E	34.8	Very low	56.1	Low	189 Å²	189	92.3 Å²	92.3	88%	0.883	55%	0.554	S	S	*	*			trans	-58.4	113.1	154.8	-68	-175.7	130.8	0	0	106.3	G34 D38	G34-E36 PolarHBondContact O-N 2.98Å; E36-D38 PolarHBondContact O-N 3Å
37	A	41	Very low	58.4	Low	91 Å²	91	90.6 Å²	90.6	75%	0.752	54%	0.544	S	S	*	.			trans	-70.3	114	175.4	0	0	0	0	0	107.6	A35 F39	A35-A37 PolarHBondContact O-N 3.08Å; A35-A37 VanDerWaalsContact O-N 3.13Å; A37-F39 PolarHBondContact O-N 3.44Å
38	D	51.9	Low	60.9	Low	165 Å²	165	88.2 Å²	88.2	88%	0.882	52%	0.524	S	S	*	.			trans	-53.7	102	-178.4	-92.7	-49.9	0	0	0	110.7	E36 S40	E36-D38 PolarHBondContact O-N 3Å; D38-S40 PolarHBondContact O-N 2.89Å
39	F	69.2	Low	63.5	Low	63 Å²	63	84 Å²	84	28%	0.276	50%	0.495	S	S	.	.			trans	-68	123.4	-175.6	174.7	-105.8	0	0	0	110.1	A37 I41 E44 V827 R925 I938	A37-F39 PolarHBondContact O-N 3.44Å; F39-I41 HydrophobicContact CE1-CB 4.33Å; F39-E44 HydrophobicContact CE2-CG 3.67Å; F39-E44 HydrophobicContact CZ-CG 3.86Å; F39-V827 HydrophobicContact CD2-CG2 3.78Å; F39-V827 HydrophobicContact CE2-CB 4.27Å; F39-V827 HydrophobicContact CE2-CG2 3.63Å; F39-V827 HydrophobicContact CZ-CG2 4.33Å; F39-R925 PolarHBondContact O-NH1 3.36Å; F39-I938 HydrophobicContact CE1-CD1 3.7Å; F39-I938 HydrophobicContact CZ-CD1 3.47Å; F39-I938 VanDerWaalsContact CZ-CD1 3.47Å
40	S	83.4	Confident	66.4	Low	40 Å²	40	76.1 Å²	76.1	28%	0.28	48%	0.475	S	S	.	.			trans	-116.5	105.4	-176.4	175	0	0	0	0	110.6	D38 L42 D43 E44	D38-S40 PolarHBondContact O-N 2.89Å; S40-L42 PolarHBondContact O-N 3.17Å; S40-D43 WeakPolarHBondContact CB-OD2 3.47Å; S40-D43 PolarHBondContact O-N 3.13Å; S40-D43 PolarHBondContact OG-OD2 3.38Å; S40-E44 PolarHBondContact O-N 3.43Å
41	I	85.7	Confident	69.2	Low	1 Å²	1	70.1 Å²	70.1	1%	0.005	44%	0.443	C	S	.	.	H	α-helix	trans	-64.9	-20.3	176.5	-169.2	169.6	0	0	0	112.4	F39 A45 D911 R925 A927 V936 I938	F39-I41 HydrophobicContact CE1-CB 4.33Å; I41-A45 VanDerWaalsContact O-CB 3.26Å; I41-A45 WeakPolarHBondContact O-CB 3.49Å; I41-A45 PolarHBondContact O-N 3.35Å; I41-D911 HydrophobicContact CG2-CB 3.48Å; I41-D911 VanDerWaalsContact CG2-CB 3.48Å; I41-R925 HydrophobicContact CB-CB 4.45Å; I41-R925 HydrophobicContact CD1-CB 3.76Å; I41-R925 VanDerWaalsContact CD1-O 3.3Å; I41-R925 WeakPolarHBondContact CD1-O 3.27Å; I41-R925 HydrophobicContact CG2-CB 4.11Å; I41-A927 HydrophobicContact CD1-CB 4.34Å; I41-A927 HydrophobicContact CG1-CB 4.04Å; I41-A927 HydrophobicContact CG2-CB 4.15Å; I41-V936 HydrophobicContact CG1-CG1 4.36Å; I41-I938 HydrophobicContact CD1-CB 4.42Å; I41-I938 HydrophobicContact CD1-CD1 4.01Å; I41-I938 HydrophobicContact CD1-CG1 4.03Å; I41-I938 HydrophobicContact CG1-CD1 4.15Å
42	L	88.3	Confident	71.9	Confident	75 Å²	75	63 Å²	63	39%	0.393	41%	0.406	S	S	.	.	H	α-helix	trans	-70.1	-37.4	177.2	-65.6	174.9	0	0	0	111.9	S40 Q46 D911 A927	S40-L42 PolarHBondContact O-N 3.17Å; L42-Q46 WeakPolarHBondContact O-CB 3.39Å; L42-Q46 PolarHBondContact O-N 3.46Å; L42-D911 HydrophobicContact CD2-CB 4.32Å; L42-D911 HydrophobicContact CG-CB 4.46Å; L42-A927 HydrophobicContact CD2-CB 4.14Å
43	D	89.4	Confident	74.8	Confident	107 Å²	107	65.6 Å²	65.6	57%	0.572	39%	0.394	S	S	*	.	H	α-helix	trans	-72.7	-40.1	176.3	-65.1	-70.7	0	0	0	110.8	S40 A45 Q46 V47	S40-D43 WeakPolarHBondContact CB-OD2 3.47Å; S40-D43 PolarHBondContact O-N 3.13Å; S40-D43 PolarHBondContact OG-OD2 3.38Å; D43-A45 PolarHBondContact O-N 3.09Å; D43-Q46 CarbonylContact O-C 3.56Å; D43-Q46 WeakPolarHBondContact O-CA 3.15Å; D43-Q46 WeakPolarHBondContact O-CB 3.18Å; D43-Q46 PolarHBondContact O-N 3.05Å; D43-Q46 VanDerWaalsContact O-N 3.1Å; D43-V47 WeakPolarHBondContact O-CG2 3.46Å; D43-V47 PolarHBondContact O-N 3.2Å
44	E	89.6	Confident	77.8	Confident	34 Å²	34	67.5 Å²	67.5	16%	0.159	38%	0.384	C	S	.	.	H	α-helix	trans	-62.6	-40.3	172.3	-60.3	-68	-167.8	0	0	112.4	F39 S40 Q46 V47 L48 L825	F39-E44 HydrophobicContact CE2-CG 3.67Å; F39-E44 HydrophobicContact CZ-CG 3.86Å; S40-E44 PolarHBondContact O-N 3.43Å; E44-Q46 VanDerWaalsContact C-N 3.26Å; E44-Q46 PolarHBondContact O-N 3.15Å; E44-V47 PolarHBondContact O-N 2.75Å; E44-L48 PolarHBondContact O-N 3.32Å; E44-L825 HydrophobicContact CB-CD1 4.43Å; E44-L825 HydrophobicContact CB-CD2 4.11Å; E44-L825 HydrophobicContact CB-CG 4.02Å; E44-L825 HydrophobicContact CG-CG 4.22Å
45	A	91.1	Very high	80.5	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.008	34%	0.344	C	S	.	.	H	α-helix	trans	-63.1	-33.3	173.4	0	0	0	0	0	112.1	I41 D43 A49 A927 P930 V936	I41-A45 VanDerWaalsContact O-CB 3.26Å; I41-A45 WeakPolarHBondContact O-CB 3.49Å; I41-A45 PolarHBondContact O-N 3.35Å; D43-A45 PolarHBondContact O-N 3.09Å; A45-A49 WeakPolarHBondContact O-CB 3.42Å; A45-A49 PolarHBondContact O-N 3.03Å; A45-A927 HydrophobicContact CB-CB 4.06Å; A45-P930 WeakPolarHBondContact O-CD 3.41Å; A45-V936 HydrophobicContact CB-CG1 3.75Å
46	Q	92.7	Very high	83.5	Confident	97 Å²	97	59.2 Å²	59.2	45%	0.453	31%	0.308	S	S	.	.	H	α-helix	trans	-73.7	-35.4	174.2	-179.5	70.4	-17	0	0	112.4	L42 D43 E44 A49 S50	L42-Q46 WeakPolarHBondContact O-CB 3.39Å; L42-Q46 PolarHBondContact O-N 3.46Å; D43-Q46 CarbonylContact O-C 3.56Å; D43-Q46 WeakPolarHBondContact O-CA 3.15Å; D43-Q46 WeakPolarHBondContact O-CB 3.18Å; D43-Q46 PolarHBondContact O-N 3.05Å; D43-Q46 VanDerWaalsContact O-N 3.1Å; E44-Q46 VanDerWaalsContact C-N 3.26Å; E44-Q46 PolarHBondContact O-N 3.15Å; Q46-A49 PolarHBondContact O-N 3.2Å; Q46-S50 PolarHBondContact O-N 3.04Å
47	V	93.1	Very high	86.2	Confident	56 Å²	56	53.1 Å²	53.1	34%	0.339	28%	0.283	S	S	.	.	H	α-helix	trans	-60.6	-50.1	169.7	171.8	0	0	0	0	110	D43 E44 A49 S50 Q51 L824	D43-V47 WeakPolarHBondContact O-CG2 3.46Å; D43-V47 PolarHBondContact O-N 3.2Å; E44-V47 PolarHBondContact O-N 2.75Å; V47-A49 VanDerWaalsContact C-N 3.34Å; V47-A49 PolarHBondContact O-N 3.39Å; V47-S50 WeakPolarHBondContact O-CB 3.48Å; V47-S50 PolarHBondContact O-N 2.98Å; V47-S50 VanDerWaalsContact O-N 3.1Å; V47-S50 PolarHBondContact O-OG 3.03Å; V47-Q51 PolarHBondContact O-N 3Å; V47-Q51 VanDerWaalsContact O-N 3.1Å; V47-L824 HydrophobicContact CG1-CB 4.34Å; V47-L824 HydrophobicContact CG1-CD1 4.41Å; V47-L824 HydrophobicContact CG1-CD2 4.35Å
48	L	93.3	Very high	88.6	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.6	-42.7	174.8	-73.2	170.3	0	0	0	112.3	E44 S50 Q51 M52 V820 L821 L824 L825 I929 V936	E44-L48 PolarHBondContact O-N 3.32Å; L48-S50 VanDerWaalsContact C-N 3.29Å; L48-S50 PolarHBondContact O-N 3.4Å; L48-Q51 PolarHBondContact O-N 2.68Å; L48-Q51 VanDerWaalsContact O-N 3.15Å; L48-M52 WeakPolarHBondContact O-CG 3.27Å; L48-M52 PolarHBondContact O-N 3.01Å; L48-V820 HydrophobicContact CD2-CG1 4.43Å; L48-L821 HydrophobicContact CD1-CD1 4.37Å; L48-L824 HydrophobicContact CD2-CD1 4.11Å; L48-L825 HydrophobicContact CD1-CD1 3.96Å; L48-L825 HydrophobicContact CD2-CD1 4.05Å; L48-L825 HydrophobicContact CG-CD1 3.86Å; L48-I929 HydrophobicContact CB-CD1 4.34Å; L48-I929 HydrophobicContact CB-CG1 4.44Å; L48-I929 HydrophobicContact CB-CG2 4.14Å; L48-I929 HydrophobicContact CD1-CD1 4.17Å; L48-I929 HydrophobicContact CD1-CG1 4.48Å; L48-V936 HydrophobicContact CD1-CB 3.78Å; L48-V936 HydrophobicContact CD1-CG1 4.15Å; L48-V936 HydrophobicContact CD1-CG2 3.65Å
49	A	93.4	Very high	90.5	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-63	-34.2	175.7	0	0	0	0	0	113.1	A45 Q46 V47 R53 I929 P930	A45-A49 WeakPolarHBondContact O-CB 3.42Å; A45-A49 PolarHBondContact O-N 3.03Å; Q46-A49 PolarHBondContact O-N 3.2Å; V47-A49 VanDerWaalsContact C-N 3.34Å; V47-A49 PolarHBondContact O-N 3.39Å; A49-R53 VanDerWaalsContact O-CB 3.3Å; A49-R53 WeakPolarHBondContact O-CB 3.47Å; A49-R53 PolarHBondContact O-N 2.83Å; A49-I929 HydrophobicContact CB-CG2 3.84Å; A49-P930 HydrophobicContact CB-CB 4.13Å; A49-P930 HydrophobicContact CB-CG 4.4Å; A49-P930 WeakPolarHBondContact CB-O 2.98Å
50	S	95	Very high	91.6	Very high	62 Å²	62	42.9 Å²	42.9	43%	0.434	22%	0.215	S	C	.	.	H	α-helix	trans	-64.9	-40.7	173.3	83.6	0	0	0	0	111.6	Q46 V47 L48 R53 R54	Q46-S50 PolarHBondContact O-N 3.04Å; V47-S50 WeakPolarHBondContact O-CB 3.48Å; V47-S50 PolarHBondContact O-N 2.98Å; V47-S50 VanDerWaalsContact O-N 3.1Å; V47-S50 PolarHBondContact O-OG 3.03Å; L48-S50 VanDerWaalsContact C-N 3.29Å; L48-S50 PolarHBondContact O-N 3.4Å; S50-R53 PolarHBondContact O-N 2.83Å; S50-R54 PolarHBondContact O-N 2.61Å
51	Q	94.1	Very high	92	Very high	12 Å²	12	41 Å²	41	6%	0.056	20%	0.203	C	C	.	.	H	α-helix	trans	-67.7	-46.3	175.9	176.2	63.2	-2.1	0	0	111.9	V47 L48 R53 R54 L55 Y816 V820 L824	V47-Q51 PolarHBondContact O-N 3Å; V47-Q51 VanDerWaalsContact O-N 3.1Å; L48-Q51 PolarHBondContact O-N 2.68Å; L48-Q51 VanDerWaalsContact O-N 3.15Å; Q51-R53 VanDerWaalsContact C-N 3.28Å; Q51-R53 PolarHBondContact O-N 2.72Å; Q51-R54 WeakPolarHBondContact O-CB 3.44Å; Q51-R54 PolarHBondContact O-N 3.31Å; Q51-R54 VanDerWaalsContact OE1-CZ 3.29Å; Q51-L55 WeakPolarHBondContact O-CG 3.13Å; Q51-L55 PolarHBondContact O-N 3.38Å; Q51-Y816 PolarHBondContact NE2-OH 3.03Å; Q51-V820 HydrophobicContact CG-CG1 3.94Å; Q51-L824 HydrophobicContact CB-CD1 3.85Å; Q51-L824 HydrophobicContact CG-CD1 3.96Å
52	M	93.9	Very high	92.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.8	-40.1	177	-62.5	-55.9	168.6	0	0	111.3	L48 L55 A56 I770 L772 I788 F817 I840 T932	L48-M52 WeakPolarHBondContact O-CG 3.27Å; L48-M52 PolarHBondContact O-N 3.01Å; M52-L55 PolarHBondContact O-N 3.15Å; M52-L55 HydrophobicContact SD-CD1 4.44Å; M52-A56 PolarHBondContact O-N 3.13Å; M52-I770 HydrophobicContact CB-CD1 4.3Å; M52-L772 HydrophobicContact CE-CD2 4.15Å; M52-L772 HydrophobicContact SD-CD2 4.33Å; M52-I788 HydrophobicContact SD-CD1 3.99Å; M52-F817 HydrophobicContact CE-CD1 4.01Å; M52-F817 HydrophobicContact CE-CE1 3.98Å; M52-F817 HydrophobicContact SD-CE1 4.03Å; M52-I840 HydrophobicContact CE-CD1 4.43Å; M52-T932 HydrophobicContact CB-CG2 4.2Å; M52-T932 HydrophobicContact CG-CG2 4.35Å
53	R	94.3	Very high	92.4	Very high	124 Å²	124	41.4 Å²	41.4	47%	0.468	21%	0.208	S	C	.	.	H	α-helix	trans	-61.9	-41.7	172.9	-172.9	179.7	-61.2	122.3	8.7	111.8	A49 S50 Q51 A56 V57 I770	A49-R53 VanDerWaalsContact O-CB 3.3Å; A49-R53 WeakPolarHBondContact O-CB 3.47Å; A49-R53 PolarHBondContact O-N 2.83Å; S50-R53 PolarHBondContact O-N 2.83Å; Q51-R53 VanDerWaalsContact C-N 3.28Å; Q51-R53 PolarHBondContact O-N 2.72Å; R53-A56 PolarHBondContact O-N 2.84Å; R53-V57 HydrophobicContact CG-CG2 4.2Å; R53-V57 WeakPolarHBondContact O-CB 3.29Å; R53-V57 VanDerWaalsContact O-CG2 3.22Å; R53-V57 WeakPolarHBondContact O-CG2 3.4Å; R53-V57 PolarHBondContact O-N 2.99Å; R53-I770 HydrophobicContact CB-CD1 4.31Å
54	R	93.3	Very high	92.4	Very high	122 Å²	122	38.1 Å²	38.1	46%	0.46	19%	0.192	S	C	.	.	H	α-helix	trans	-58.3	-49.4	175.9	-173.6	163.7	62.2	146.1	-6.5	111.5	S50 Q51 A56 V57 E58	S50-R54 PolarHBondContact O-N 2.61Å; Q51-R54 WeakPolarHBondContact O-CB 3.44Å; Q51-R54 PolarHBondContact O-N 3.31Å; Q51-R54 VanDerWaalsContact OE1-CZ 3.29Å; R54-A56 PolarHBondContact O-N 3.29Å; R54-V57 PolarHBondContact O-N 3.36Å; R54-E58 WeakPolarHBondContact CD-OE2 3.47Å; R54-E58 VanDerWaalsContact CG-CD 3.4Å; R54-E58 HydrophobicContact CG-CG 4.27Å; R54-E58 WeakPolarHBondContact CG-OE2 3.18Å; R54-E58 WeakPolarHBondContact O-CB 3.44Å; R54-E58 PolarHBondContact O-N 3.27Å
55	L	93.4	Very high	92.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	I	π-helix	trans	-60	-42.5	177.4	-59	176.6	0	0	0	112.4	Q51 M52 V57 E59 L60 L724 I788 F812 Y816 F817	Q51-L55 WeakPolarHBondContact O-CG 3.13Å; Q51-L55 PolarHBondContact O-N 3.38Å; M52-L55 PolarHBondContact O-N 3.15Å; M52-L55 HydrophobicContact SD-CD1 4.44Å; L55-V57 PolarHBondContact O-N 2.89Å; L55-E59 HydrophobicContact CD2-CG 4.05Å; L55-E59 WeakPolarHBondContact O-CB 3.45Å; L55-E59 PolarHBondContact O-N 2.96Å; L55-L60 PolarHBondContact O-N 2.97Å; L55-L60 VanDerWaalsContact O-N 3.14Å; L55-L724 HydrophobicContact CD2-CD1 3.4Å; L55-L724 VanDerWaalsContact CD2-CD1 3.4Å; L55-I788 HydrophobicContact CB-CD1 4.09Å; L55-I788 HydrophobicContact CD1-CD1 3.74Å; L55-F812 HydrophobicContact CB-CZ 4.41Å; L55-F812 HydrophobicContact CD1-CE2 4.38Å; L55-F812 HydrophobicContact CD1-CZ 4.02Å; L55-F812 HydrophobicContact CD2-CE1 4.33Å; L55-F812 HydrophobicContact CD2-CZ 4.01Å; L55-F812 HydrophobicContact CG-CZ 4.36Å; L55-Y816 HydrophobicContact CD1-CE1 4.05Å; L55-Y816 WeakPolarHBondContact CD2-OH 3.48Å; L55-F817 HydrophobicContact CD1-CE1 4.49Å
56	A	92.4	Very high	92.4	Very high	4 Å²	4	38.1 Å²	38.1	3%	0.033	19%	0.192	C	C	.	.	I	π-helix	trans	-67.9	-31.9	177.6	0	0	0	0	0	113.5	M52 R53 R54 V62 I770	M52-A56 PolarHBondContact O-N 3.13Å; R53-A56 PolarHBondContact O-N 2.84Å; R54-A56 PolarHBondContact O-N 3.29Å; A56-V62 VanDerWaalsContact O-CB 3.27Å; A56-V62 WeakPolarHBondContact O-CB 3.36Å; A56-V62 WeakPolarHBondContact O-CG2 3.34Å; A56-V62 PolarHBondContact O-N 3.1Å; A56-V62 VanDerWaalsContact O-N 3.16Å; A56-I770 HydrophobicContact CB-CD1 3.91Å; A56-I770 HydrophobicContact CB-CG1 4.1Å
57	V	91.6	Very high	92.2	Very high	61 Å²	61	40.5 Å²	40.5	37%	0.37	20%	0.197	S	C	.	.	I	π-helix	trans	-85.2	-49.9	-178	174.7	0	0	0	0	112.2	R53 R54 L55 G61 V63	R53-V57 HydrophobicContact CG-CG2 4.2Å; R53-V57 WeakPolarHBondContact O-CB 3.29Å; R53-V57 VanDerWaalsContact O-CG2 3.22Å; R53-V57 WeakPolarHBondContact O-CG2 3.4Å; R53-V57 PolarHBondContact O-N 2.99Å; R54-V57 PolarHBondContact O-N 3.36Å; L55-V57 PolarHBondContact O-N 2.89Å; V57-G61 WeakPolarHBondContact O-CA 3.48Å; V57-G61 PolarHBondContact O-N 2.92Å; V57-V63 HydrophobicContact CG1-CG2 4.35Å; V57-V63 HydrophobicContact CG2-CG2 3.88Å
58	E	90.8	Very high	92	Very high	97 Å²	97	39.4 Å²	39.4	45%	0.453	19%	0.188	S	C	.	.	I	π-helix	trans	-88.3	-53.5	-171.4	-65.4	170.9	-168.1	0	0	111.6	R54	R54-E58 WeakPolarHBondContact CD-OE2 3.47Å; R54-E58 VanDerWaalsContact CG-CD 3.4Å; R54-E58 HydrophobicContact CG-CG 4.27Å; R54-E58 WeakPolarHBondContact CG-OE2 3.18Å; R54-E58 WeakPolarHBondContact O-CB 3.44Å; R54-E58 PolarHBondContact O-N 3.27Å
59	E	92.8	Very high	91.7	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.028	19%	0.189	C	C	.	.	I	π-helix	trans	-78.1	-35.7	-174.3	-64	-60.3	157.5	0	0	113.9	L55 S722 L724 I728 R731 I810	L55-E59 HydrophobicContact CD2-CG 4.05Å; L55-E59 WeakPolarHBondContact O-CB 3.45Å; L55-E59 PolarHBondContact O-N 2.96Å; E59-S722 VanDerWaalsContact OE1-CB 3.3Å; E59-S722 WeakPolarHBondContact OE1-CB 3.19Å; E59-S722 PolarHBondContact OE1-OG 3.3Å; E59-L724 HydrophobicContact CG-CD1 3.95Å; E59-I728 HydrophobicContact CB-CD1 4.34Å; E59-I728 HydrophobicContact CG-CD1 4.1Å; E59-I728 VanDerWaalsContact OE2-CD1 3.26Å; E59-I728 WeakPolarHBondContact OE2-CD1 3.45Å; E59-R731 WeakPolarHBondContact O-CD 3.28Å; E59-R731 PolarHBondContact O-NE 2.94Å; E59-R731 IonicContact OE2-CZ 3.72Å; E59-R731 IonicContact OE2-NH2 3.98Å; E59-R731 PolarHBondContact OE2-NH2 3.37Å; E59-I810 HydrophobicContact CB-CD1 3.78Å
60	L	91.9	Very high	91.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-94.7	-26.3	-178.9	-173.5	54.7	0	0	0	112.9	L55 V62 W715 M808 G809 I810	L55-L60 PolarHBondContact O-N 2.97Å; L55-L60 VanDerWaalsContact O-N 3.14Å; L60-V62 HydrophobicContact CB-CG2 4.19Å; L60-V62 HydrophobicContact CD2-CG2 3.65Å; L60-V62 HydrophobicContact CG-CG2 3.78Å; L60-W715 HydrophobicContact CD1-CZ2 4.44Å; L60-W715 PolarHBondContact O-NE1 3.44Å; L60-W715 VanDerWaalsContact O-NE1 3.07Å; L60-M808 HydrophobicContact CD1-CB 3.9Å; L60-M808 HydrophobicContact CD1-CE 4.22Å; L60-M808 HydrophobicContact CD2-CB 3.85Å; L60-M808 HydrophobicContact CG-CB 3.9Å; L60-M808 HydrophobicContact CG-CE 4.31Å; L60-M808 WeakPolarHBondContact O-CE 3.29Å; L60-G809 WeakPolarHBondContact CD1-O 3.48Å; L60-I810 HydrophobicContact CB-CG2 4.26Å; L60-I810 HydrophobicContact CD1-CB 4.12Å; L60-I810 HydrophobicContact CD1-CG2 4.29Å; L60-I810 HydrophobicContact CD2-CG2 4.17Å; L60-I810 HydrophobicContact CG-CG2 4.48Å
61	G	92.1	Very high	90.9	Very high	2 Å²	2	43.8 Å²	43.8	2%	0.021	21%	0.213	C	C	.	.			trans	79	18.4	178.6	0	0	0	0	0	115.4	V57 V63 T64 M65	V57-G61 WeakPolarHBondContact O-CA 3.48Å; V57-G61 PolarHBondContact O-N 2.92Å; G61-V63 VanDerWaalsContact C-N 3.3Å; G61-V63 PolarHBondContact O-N 3.01Å; G61-T64 PolarHBondContact O-N 3.33Å; G61-M65 PolarHBondContact O-N 2.85Å
62	V	91.6	Very high	90.6	Very high	10 Å²	10	44.2 Å²	44.2	6%	0.061	22%	0.215	C	C	.	.	H	α-helix	trans	-52.4	-43.2	-171.2	171	0	0	0	0	113.1	A56 L60 M65 Q66 H790 I792 M808	A56-V62 VanDerWaalsContact O-CB 3.27Å; A56-V62 WeakPolarHBondContact O-CB 3.36Å; A56-V62 WeakPolarHBondContact O-CG2 3.34Å; A56-V62 PolarHBondContact O-N 3.1Å; A56-V62 VanDerWaalsContact O-N 3.16Å; L60-V62 HydrophobicContact CB-CG2 4.19Å; L60-V62 HydrophobicContact CD2-CG2 3.65Å; L60-V62 HydrophobicContact CG-CG2 3.78Å; V62-M65 PolarHBondContact O-N 3.47Å; V62-Q66 VanDerWaalsContact O-CB 3.26Å; V62-Q66 WeakPolarHBondContact O-CB 3.45Å; V62-Q66 PolarHBondContact O-N 2.99Å; V62-H790 HydrophobicContact CG1-CB 4.34Å; V62-H790 WeakPolarHBondContact CG1-ND1 3.5Å; V62-H790 HydrophobicContact CG2-CB 3.92Å; V62-I792 HydrophobicContact CG1-CD1 3.91Å; V62-M808 HydrophobicContact CG2-SD 4.28Å
63	V	90.6	Very high	90.1	Very high	73 Å²	73	48.7 Å²	48.7	44%	0.442	24%	0.242	S	C	.	.	H	α-helix	trans	-69.2	-36.6	-178.5	173.8	0	0	0	0	111.8	V57 G61 R67	V57-V63 HydrophobicContact CG1-CG2 4.35Å; V57-V63 HydrophobicContact CG2-CG2 3.88Å; G61-V63 VanDerWaalsContact C-N 3.3Å; G61-V63 PolarHBondContact O-N 3.01Å; V63-R67 WeakPolarHBondContact O-CB 3.37Å; V63-R67 PolarHBondContact O-N 3.32Å
64	T	89.9	Confident	89.5	Confident	39 Å²	39	44.7 Å²	44.7	24%	0.239	23%	0.228	C	C	.	.	H	α-helix	trans	-68.3	-43.7	174.1	-73.4	0	0	0	0	110.7	G61 R67 I68	G61-T64 PolarHBondContact O-N 3.33Å; T64-R67 WeakPolarHBondContact O-CB 3.44Å; T64-R67 PolarHBondContact O-N 3.28Å; T64-R67 PolarHBondContact OG1-NH1 3.48Å; T64-R67 VanDerWaalsContact OG1-NH1 3.1Å; T64-I68 HydrophobicContact CG2-CD1 3.87Å; T64-I68 WeakPolarHBondContact O-CD1 3.4Å; T64-I68 WeakPolarHBondContact O-CG1 3.31Å; T64-I68 PolarHBondContact O-N 2.02Å
65	M	90.1	Very high	89	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-66.9	-39.9	178.2	-152.8	62.7	-170.2	0	0	112.7	G61 V62 R67 I68 F69 A707 V711 I733 I792 M808	G61-M65 PolarHBondContact O-N 2.85Å; V62-M65 PolarHBondContact O-N 3.47Å; M65-R67 VanDerWaalsContact C-N 3.3Å; M65-R67 PolarHBondContact O-N 2.97Å; M65-I68 WeakPolarHBondContact O-CB 3.45Å; M65-I68 PolarHBondContact O-N 3.24Å; M65-I68 VanDerWaalsContact O-N 3.16Å; M65-I68 HydrophobicContact SD-CD1 3.99Å; M65-F69 HydrophobicContact CE-CD2 4.11Å; M65-F69 HydrophobicContact CE-CE2 3.55Å; M65-F69 HydrophobicContact CE-CZ 4.44Å; M65-F69 HydrophobicContact CG-CD2 3.99Å; M65-F69 HydrophobicContact CG-CE2 3.95Å; M65-F69 WeakPolarHBondContact O-CD2 3.25Å; M65-F69 PolarHBondContact O-N 3.01Å; M65-A707 WeakPolarHBondContact CE-O 3.21Å; M65-V711 HydrophobicContact CE-CB 4.35Å; M65-V711 HydrophobicContact SD-CB 3.78Å; M65-V711 HydrophobicContact SD-CG2 4.08Å; M65-I733 HydrophobicContact CE-CD1 4.1Å; M65-I733 HydrophobicContact CG-CD1 4.01Å; M65-I792 HydrophobicContact CB-CD1 4.3Å; M65-M808 HydrophobicContact CB-CE 4.02Å; M65-M808 HydrophobicContact CB-SD 3.47Å; M65-M808 WeakPolarHBondContact CB-SD 3.25Å; M65-M808 HydrophobicContact CG-CE 4.2Å; M65-M808 HydrophobicContact CG-SD 3.76Å
66	Q	90.5	Very high	88.1	Confident	33 Å²	33	47.3 Å²	47.3	15%	0.154	25%	0.249	C	C	.	.	H	α-helix	trans	-62.8	-36.3	173.9	-175.5	59.2	87.6	0	0	111.9	V62 N70 I792 H793	V62-Q66 VanDerWaalsContact O-CB 3.26Å; V62-Q66 WeakPolarHBondContact O-CB 3.45Å; V62-Q66 PolarHBondContact O-N 2.99Å; Q66-N70 PolarHBondContact NE2-OD1 2.79Å; Q66-N70 WeakPolarHBondContact O-CB 3.27Å; Q66-N70 PolarHBondContact O-N 3.06Å; Q66-N70 PolarHBondContact O-ND2 3.19Å; Q66-N70 VanDerWaalsContact O-ND2 3.16Å; Q66-N70 PolarHBondContact O-OD1 3.36Å; Q66-I792 HydrophobicContact CB-CD1 4.24Å; Q66-H793 PolarHBondContact NE2-O 2.93Å; Q66-H793 PolarHBondContact OE1-ND1 3.31Å
67	R	88.8	Confident	87.2	Confident	148 Å²	148	49.7 Å²	49.7	56%	0.558	26%	0.259	S	S	*	.	H	α-helix	trans	-64.5	-41	172.6	-167.8	-168.4	-56.5	112.6	2.1	111.7	V63 T64 M65 N70 S71	V63-R67 WeakPolarHBondContact O-CB 3.37Å; V63-R67 PolarHBondContact O-N 3.32Å; T64-R67 WeakPolarHBondContact O-CB 3.44Å; T64-R67 PolarHBondContact O-N 3.28Å; T64-R67 PolarHBondContact OG1-NH1 3.48Å; T64-R67 VanDerWaalsContact OG1-NH1 3.1Å; M65-R67 VanDerWaalsContact C-N 3.3Å; M65-R67 PolarHBondContact O-N 2.97Å; R67-N70 PolarHBondContact O-N 3.38Å; R67-S71 PolarHBondContact O-N 3.26Å
68	I	88	Confident	86.2	Confident	32 Å²	32	52.7 Å²	52.7	16%	0.164	27%	0.271	C	S	.	.	H	α-helix	trans	-64.6	-51.7	176.8	-69.6	157	0	0	0	110.6	T64 M65 N70 S71 F72 H710	T64-I68 HydrophobicContact CG2-CD1 3.87Å; T64-I68 WeakPolarHBondContact O-CD1 3.4Å; T64-I68 WeakPolarHBondContact O-CG1 3.31Å; T64-I68 PolarHBondContact O-N 2.02Å; M65-I68 WeakPolarHBondContact O-CB 3.45Å; M65-I68 PolarHBondContact O-N 3.24Å; M65-I68 VanDerWaalsContact O-N 3.16Å; M65-I68 HydrophobicContact SD-CD1 3.99Å; I68-N70 VanDerWaalsContact C-N 3.27Å; I68-N70 PolarHBondContact O-N 3.09Å; I68-S71 WeakPolarHBondContact O-CB 3.49Å; I68-S71 PolarHBondContact O-N 2.94Å; I68-S71 PolarHBondContact O-OG 3.45Å; I68-F72 HydrophobicContact CG2-CE1 4.18Å; I68-F72 HydrophobicContact CG2-CE2 3.73Å; I68-F72 HydrophobicContact CG2-CZ 3.4Å; I68-F72 VanDerWaalsContact CG2-CZ 3.4Å; I68-H710 HydrophobicContact CD1-CB 3.88Å; I68-H710 HydrophobicContact CG2-CB 4.04Å
69	F	86.9	Confident	85.1	Confident	3 Å²	3	48.4 Å²	48.4	1%	0.013	25%	0.252	C	S	.	.	H	α-helix	trans	-62.8	-30	177.5	-85.4	-86.1	0	0	0	113.3	M65 S71 F72 Y74 L616 A707 I733 I792 V805 A806	M65-F69 HydrophobicContact CE-CD2 4.11Å; M65-F69 HydrophobicContact CE-CE2 3.55Å; M65-F69 HydrophobicContact CE-CZ 4.44Å; M65-F69 HydrophobicContact CG-CD2 3.99Å; M65-F69 HydrophobicContact CG-CE2 3.95Å; M65-F69 WeakPolarHBondContact O-CD2 3.25Å; M65-F69 PolarHBondContact O-N 3.01Å; F69-S71 PolarHBondContact O-N 2.03Å; F69-F72 AromaticContact CD1-CD2 3.96Å; F69-F72 HydrophobicContact CD1-CD2 3.96Å; F69-F72 HydrophobicContact CD1-CE2 4.19Å; F69-F72 HydrophobicContact CG-CD2 4.3Å; F69-F72 HydrophobicContact CG-CE2 4.33Å; F69-F72 PolarHBondContact O-N 3.46Å; F69-Y74 WeakPolarHBondContact O-CE2 3.3Å; F69-Y74 PolarHBondContact O-OH 3.4Å; F69-L616 HydrophobicContact CE1-CD1 4.26Å; F69-A707 HydrophobicContact CE1-CB 4.2Å; F69-A707 HydrophobicContact CZ-CB 4.22Å; F69-I733 HydrophobicContact CE2-CD1 4.36Å; F69-I792 HydrophobicContact CB-CG2 3.91Å; F69-I792 HydrophobicContact CD2-CG2 3.56Å; F69-I792 HydrophobicContact CE2-CG2 4.19Å; F69-I792 HydrophobicContact CG-CG2 3.84Å; F69-V805 HydrophobicContact CB-CG2 4.45Å; F69-V805 HydrophobicContact CD1-CB 4.33Å; F69-V805 HydrophobicContact CD1-CG2 3.5Å; F69-V805 VanDerWaalsContact CD1-CG2 3.5Å; F69-V805 HydrophobicContact CE1-CB 4.27Å; F69-V805 HydrophobicContact CE1-CG2 3.77Å; F69-V805 HydrophobicContact CG-CG2 4.02Å; F69-V805 HydrophobicContact CZ-CG2 4.5Å; F69-A806 HydrophobicContact CE2-CB 4.25Å; F69-A806 HydrophobicContact CZ-CB 3.97Å
70	N	86.7	Confident	84.5	Confident	65 Å²	65	51.4 Å²	51.4	35%	0.348	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-17.9	171.8	-71.9	-16.3	0	0	0	113.7	Q66 R67 I68	Q66-N70 PolarHBondContact NE2-OD1 2.79Å; Q66-N70 WeakPolarHBondContact O-CB 3.27Å; Q66-N70 PolarHBondContact O-N 3.06Å; Q66-N70 PolarHBondContact O-ND2 3.19Å; Q66-N70 VanDerWaalsContact O-ND2 3.16Å; Q66-N70 PolarHBondContact O-OD1 3.36Å; R67-N70 PolarHBondContact O-N 3.38Å; I68-N70 VanDerWaalsContact C-N 3.27Å; I68-N70 PolarHBondContact O-N 3.09Å
71	S	85.9	Confident	83.9	Confident	87 Å²	87	51.6 Å²	51.6	61%	0.608	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-14.2	178.1	77.3	0	0	0	0	114	R67 I68 F69	R67-S71 PolarHBondContact O-N 3.26Å; I68-S71 WeakPolarHBondContact O-CB 3.49Å; I68-S71 PolarHBondContact O-N 2.94Å; I68-S71 PolarHBondContact O-OG 3.45Å; F69-S71 PolarHBondContact O-N 2.03Å
72	F	86.1	Confident	83.5	Confident	22 Å²	22	55.7 Å²	55.7	10%	0.096	29%	0.289	C	S	.	.	S	Bend	trans	-80.8	150.8	-177.8	-61.8	-36.2	0	0	0	112.8	I68 F69 Y74 L616 L619 A707 H710	I68-F72 HydrophobicContact CG2-CE1 4.18Å; I68-F72 HydrophobicContact CG2-CE2 3.73Å; I68-F72 HydrophobicContact CG2-CZ 3.4Å; I68-F72 VanDerWaalsContact CG2-CZ 3.4Å; F69-F72 AromaticContact CD1-CD2 3.96Å; F69-F72 HydrophobicContact CD1-CD2 3.96Å; F69-F72 HydrophobicContact CD1-CE2 4.19Å; F69-F72 HydrophobicContact CG-CD2 4.3Å; F69-F72 HydrophobicContact CG-CE2 4.33Å; F69-F72 PolarHBondContact O-N 3.46Å; F72-Y74 HydrophobicContact CB-CE2 4.29Å; F72-Y74 WeakPolarHBondContact O-CD2 2.97Å; F72-Y74 VanDerWaalsContact O-CE2 3.28Å; F72-Y74 WeakPolarHBondContact O-CE2 3.4Å; F72-L616 HydrophobicContact CB-CD2 3.65Å; F72-L616 HydrophobicContact CD2-CD2 3.68Å; F72-L616 HydrophobicContact CG-CD2 3.99Å; F72-L619 HydrophobicContact CB-CD2 4.46Å; F72-L619 HydrophobicContact CD1-CD1 4.3Å; F72-L619 HydrophobicContact CD1-CD2 3.64Å; F72-L619 HydrophobicContact CE1-CD1 4.06Å; F72-L619 HydrophobicContact CE1-CD2 4.05Å; F72-L619 HydrophobicContact CE2-CD1 4.41Å; F72-L619 HydrophobicContact CG-CD2 4.1Å; F72-L619 HydrophobicContact CZ-CD1 4.12Å; F72-A707 HydrophobicContact CD2-CB 4.36Å; F72-A707 HydrophobicContact CE2-CB 3.63Å; F72-A707 HydrophobicContact CZ-CB 4.15Å; F72-H710 AromaticContact CZ-CD2 3.9Å
73	V	84.2	Confident	83.3	Confident	93 Å²	93	57.5 Å²	57.5	56%	0.564	30%	0.302	S	S	*	.			trans	-88.5	129.6	174.2	-178.7	0	0	0	0	109.4	K617	V73-K617 HydrophobicContact CB-CB 4.43Å; V73-K617 HydrophobicContact CG1-CB 4.21Å; V73-K617 HydrophobicContact CG1-CD 3.96Å; V73-K617 VanDerWaalsContact O-CB 3.3Å; V73-K617 WeakPolarHBondContact O-CB 3.49Å; V73-K617 PolarHBondContact O-N 3.31Å
74	Y	82.8	Confident	83.2	Confident	41 Å²	41	55.4 Å²	55.4	16%	0.161	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	149.8	177.2	-60.2	-91.6	0	0	0	111.5	F69 F72 K614 Q615 L616 V805	F69-Y74 WeakPolarHBondContact O-CE2 3.3Å; F69-Y74 PolarHBondContact O-OH 3.4Å; F72-Y74 HydrophobicContact CB-CE2 4.29Å; F72-Y74 WeakPolarHBondContact O-CD2 2.97Å; F72-Y74 VanDerWaalsContact O-CE2 3.28Å; F72-Y74 WeakPolarHBondContact O-CE2 3.4Å; Y74-K614 HydrophobicContact CD1-CB 3.72Å; Y74-K614 WeakPolarHBondContact CD1-O 2.96Å; Y74-K614 HydrophobicContact CE1-CB 4.49Å; Y74-K614 HydrophobicContact CG-CB 4.02Å; Y74-K614 HydrophobicContact CG-CD 4.49Å; Y74-Q615 CarbonylContact C-O 3.59Å; Y74-Q615 VanDerWaalsContact CA-O 3.28Å; Y74-Q615 WeakPolarHBondContact CA-O 3.34Å; Y74-L616 HydrophobicContact CD1-CD2 4.05Å; Y74-L616 HydrophobicContact CE1-CD2 3.49Å; Y74-L616 VanDerWaalsContact CE1-CD2 3.49Å; Y74-L616 HydrophobicContact CE1-CG 4.11Å; Y74-V805 HydrophobicContact CE1-CG1 4.11Å
75	T	80.9	Confident	83.4	Confident	60 Å²	60	53.6 Å²	53.6	37%	0.368	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130.3	159.4	43.1	0	0	0	0	109	Q615 K617	T75-Q615 PolarHBondContact N-O 2.87Å; T75-Q615 PolarHBondContact O-N 3.18Å; T75-Q615 PolarHBondContact OG1-O 3.32Å; T75-K617 HydrophobicContact CG2-CB 4.17Å; T75-K617 HydrophobicContact CG2-CD 3.89Å; T75-K617 HydrophobicContact CG2-CG 3.98Å
76	E	75.6	Confident	83.5	Confident	117 Å²	117	57.6 Å²	57.6	55%	0.547	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	117.3	177.8	-69.7	179.8	178.7	0	0	110.1	P612 K614	E76-P612 HydrophobicContact CB-CB 4.1Å; E76-P612 HydrophobicContact CG-CB 4.34Å; E76-K614 HydrophobicContact CG-CD 4.02Å; E76-K614 HydrophobicContact CG-CG 4.24Å; E76-K614 WeakPolarHBondContact OE1-CE 3.37Å; E76-K614 IonicContact OE1-NZ 3.03Å; E76-K614 PolarHBondContact OE1-NZ 2.96Å
77	K	74.3	Confident	83.6	Confident	54 Å²	54	61.6 Å²	61.6	24%	0.235	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	117.6	166.7	-173.1	-157.5	-178	-158.7	0	108.3	E84 D501 V613	K77-E84 WeakPolarHBondContact CE-OE1 3.01Å; K77-E84 IonicContact NZ-OE1 3.72Å; K77-E84 PolarHBondContact NZ-OE1 2.91Å; K77-E84 IonicContact NZ-OE2 3.86Å; K77-E84 PolarHBondContact NZ-OE2 3.41Å; K77-D501 IonicContact NZ-OD1 3.96Å; K77-D501 PolarHBondContact NZ-OD1 3.01Å; K77-D501 IonicContact NZ-OD2 2.72Å; K77-D501 PolarHBondContact NZ-OD2 3.23Å; K77-V613 HydrophobicContact CB-CB 4.34Å; K77-V613 PolarHBondContact N-O 3.32Å; K77-V613 PolarHBondContact O-N 2.91Å
78	I	69.8	Low	83.7	Confident	123 Å²	123	55.4 Å²	55.4	63%	0.631	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-84.3	124.8	164.4	-60.2	173.2	0	0	0	106.9	P612	I78-P612 HydrophobicContact CG1-CB 4.33Å
79	S	68.4	Low	84	Confident	8 Å²	8	54 Å²	54	6%	0.056	29%	0.285	C	S	.	.			trans	-100.2	98.7	-176.5	168.4	0	0	0	0	110.9	G81 D501	S79-G81 PolarHBondContact O-N 2.87Å; S79-D501 WeakPolarHBondContact CB-OD2 3.49Å; S79-D501 PolarHBondContact OG-OD2 2.8Å; S79-D501 VanDerWaalsContact OG-OD2 3.04Å
80	N	78.6	Confident	84.4	Confident	69 Å²	69	59.1 Å²	59.1	37%	0.369	31%	0.307	S	S	.	.			trans	-80.2	113.4	166.8	177.8	-8.3	0	0	0	109.8	E82 S83 E84	N80-E82 PolarHBondContact O-N 2.82Å; N80-E82 VanDerWaalsContact O-N 3.15Å; N80-E82 WeakPolarHBondContact OD1-CB 3.04Å; N80-E82 PolarHBondContact OD1-N 3.13Å; N80-S83 PolarHBondContact O-N 3.14Å; N80-S83 PolarHBondContact O-OG 2.98Å; N80-E84 PolarHBondContact O-N 2.62Å; N80-E84 VanDerWaalsContact O-N 3.08Å
81	G	79.3	Confident	84.6	Confident	4 Å²	4	60.7 Å²	60.7	4%	0.041	31%	0.311	C	S	.	.	H	α-helix	trans	-55.4	-30.6	179.8	0	0	0	0	0	114.5	S79 V85	S79-G81 PolarHBondContact O-N 2.87Å; G81-V85 WeakPolarHBondContact O-CB 3.47Å; G81-V85 WeakPolarHBondContact O-CG1 3.33Å; G81-V85 PolarHBondContact O-N 3.04Å
82	E	85.3	Confident	85	Confident	87 Å²	87	56.7 Å²	56.7	41%	0.407	28%	0.283	S	S	.	.	H	α-helix	trans	-68.6	-34.2	176.4	-61.2	-176.1	169.1	0	0	113	N80 Q86 S560 A591	N80-E82 PolarHBondContact O-N 2.82Å; N80-E82 VanDerWaalsContact O-N 3.15Å; N80-E82 WeakPolarHBondContact OD1-CB 3.04Å; N80-E82 PolarHBondContact OD1-N 3.13Å; E82-Q86 WeakPolarHBondContact O-CG 3.48Å; E82-Q86 PolarHBondContact O-N 2.81Å; E82-Q86 PolarHBondContact O-NE2 2.71Å; E82-S560 WeakPolarHBondContact OE1-CB 3.39Å; E82-S560 PolarHBondContact OE1-OG 3.47Å; E82-A591 HydrophobicContact CG-CB 4.26Å
83	S	87.5	Confident	85.4	Confident	49 Å²	49	58.7 Å²	58.7	34%	0.343	29%	0.29	S	S	.	.	H	α-helix	trans	-82.8	-33	177.9	64.4	0	0	0	0	112	N80 Q87	N80-S83 PolarHBondContact O-N 3.14Å; N80-S83 PolarHBondContact O-OG 2.98Å; S83-Q87 WeakPolarHBondContact O-CG 3.21Å; S83-Q87 PolarHBondContact O-N 2.92Å; S83-Q87 PolarHBondContact O-NE2 2.84Å
84	E	88.5	Confident	85.8	Confident	29 Å²	29	58.4 Å²	58.4	14%	0.136	28%	0.282	C	S	.	.	H	α-helix	trans	-70	-45.4	174.3	-62.4	-58.4	146.1	0	0	111.7	K77 N80 Q86 Q87 L88 I604	K77-E84 WeakPolarHBondContact CE-OE1 3.01Å; K77-E84 IonicContact NZ-OE1 3.72Å; K77-E84 PolarHBondContact NZ-OE1 2.91Å; K77-E84 IonicContact NZ-OE2 3.86Å; K77-E84 PolarHBondContact NZ-OE2 3.41Å; N80-E84 PolarHBondContact O-N 2.62Å; N80-E84 VanDerWaalsContact O-N 3.08Å; E84-Q86 PolarHBondContact O-N 3.24Å; E84-Q87 PolarHBondContact O-N 2.77Å; E84-Q87 VanDerWaalsContact O-N 3.08Å; E84-L88 WeakPolarHBondContact O-CB 3.28Å; E84-L88 PolarHBondContact O-N 2.89Å; E84-I604 HydrophobicContact CB-CD1 3.78Å
85	V	92.6	Very high	86.2	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.006	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-32.6	179.2	76.8	0	0	0	0	111.3	G81 A89 A591 K593 L602 I604	G81-V85 WeakPolarHBondContact O-CB 3.47Å; G81-V85 WeakPolarHBondContact O-CG1 3.33Å; G81-V85 PolarHBondContact O-N 3.04Å; V85-A89 WeakPolarHBondContact O-CB 3.48Å; V85-A89 PolarHBondContact O-N 2.81Å; V85-A591 HydrophobicContact CG1-CB 4.06Å; V85-K593 HydrophobicContact CG1-CB 4.46Å; V85-K593 HydrophobicContact CG2-CB 4.17Å; V85-L602 HydrophobicContact CG2-CB 4.39Å; V85-L602 HydrophobicContact CG2-CD2 3.77Å; V85-L602 HydrophobicContact CG2-CG 3.97Å; V85-I604 HydrophobicContact CB-CB 4.4Å; V85-I604 HydrophobicContact CB-CD1 3.89Å; V85-I604 HydrophobicContact CB-CG1 3.94Å; V85-I604 HydrophobicContact CG2-CD1 4.42Å; V85-I604 HydrophobicContact CG2-CG1 4.05Å
86	Q	93.1	Very high	86.7	Confident	85 Å²	85	54.3 Å²	54.3	40%	0.397	26%	0.26	S	S	.	.	H	α-helix	trans	-68	-36.5	174.6	-77.2	-178.2	65.5	0	0	113.6	E82 E84 K90 L558 K593	E82-Q86 WeakPolarHBondContact O-CG 3.48Å; E82-Q86 PolarHBondContact O-N 2.81Å; E82-Q86 PolarHBondContact O-NE2 2.71Å; E84-Q86 PolarHBondContact O-N 3.24Å; Q86-K90 PolarHBondContact O-N 2.95Å; Q86-L558 HydrophobicContact CG-CD1 4.38Å; Q86-K593 HydrophobicContact CB-CD 4.46Å; Q86-K593 HydrophobicContact CG-CD 3.94Å; Q86-K593 PolarHBondContact O-NZ 3.37Å
87	Q	91.8	Very high	87.5	Confident	116 Å²	116	50.6 Å²	50.6	54%	0.542	24%	0.244	S	C	.	.	H	α-helix	trans	-76	-45.6	176.5	-73.2	174.6	83	0	0	111.8	S83 E84 K90 K91	S83-Q87 WeakPolarHBondContact O-CG 3.21Å; S83-Q87 PolarHBondContact O-N 2.92Å; S83-Q87 PolarHBondContact O-NE2 2.84Å; E84-Q87 PolarHBondContact O-N 2.77Å; E84-Q87 VanDerWaalsContact O-N 3.08Å; Q87-K90 WeakPolarHBondContact O-CB 3.23Å; Q87-K90 PolarHBondContact O-N 3.1Å; Q87-K90 VanDerWaalsContact O-N 3.17Å; Q87-K91 PolarHBondContact O-N 3.21Å
88	L	92.5	Very high	88.4	Confident	18 Å²	18	53.7 Å²	53.7	9%	0.094	25%	0.254	C	S	.	.	H	α-helix	trans	-66.2	-43.4	-179.8	-175.4	57.7	0	0	0	111.5	E84 K90 K91 I92 D495 Y499 T507 L602 I604	E84-L88 WeakPolarHBondContact O-CB 3.28Å; E84-L88 PolarHBondContact O-N 2.89Å; L88-K90 PolarHBondContact O-N 2.85Å; L88-K91 PolarHBondContact O-N 3.11Å; L88-K91 VanDerWaalsContact O-N 3.14Å; L88-I92 HydrophobicContact CD1-CD1 4.22Å; L88-I92 HydrophobicContact CD1-CG1 4.47Å; L88-I92 HydrophobicContact CG-CD1 4.01Å; L88-I92 WeakPolarHBondContact O-CG1 3.34Å; L88-I92 PolarHBondContact O-N 2.67Å; L88-D495 HydrophobicContact CD1-CB 4.12Å; L88-Y499 HydrophobicContact CD2-CD2 3.62Å; L88-Y499 HydrophobicContact CD2-CE2 3.91Å; L88-Y499 HydrophobicContact CD2-CG 4.35Å; L88-T507 HydrophobicContact CD2-CG2 4.49Å; L88-L602 HydrophobicContact CB-CD2 3.77Å; L88-L602 HydrophobicContact CD2-CD1 4.24Å; L88-L602 HydrophobicContact CD2-CD2 3.94Å; L88-L602 HydrophobicContact CG-CD2 3.68Å; L88-I604 HydrophobicContact CD2-CD1 4.19Å
89	A	94.2	Very high	89.6	Confident	3 Å²	3	47.9 Å²	47.9	3%	0.025	23%	0.225	C	C	.	.	H	α-helix	trans	-62	-32	173	0	0	0	0	0	112.5	V85 R93 K593 V595 L602	V85-A89 WeakPolarHBondContact O-CB 3.48Å; V85-A89 PolarHBondContact O-N 2.81Å; A89-R93 VanDerWaalsContact O-CB 3.29Å; A89-R93 WeakPolarHBondContact O-CB 3.49Å; A89-R93 PolarHBondContact O-N 3.38Å; A89-K593 HydrophobicContact CB-CB 4.33Å; A89-K593 HydrophobicContact CB-CD 3.88Å; A89-K593 HydrophobicContact CB-CG 4.14Å; A89-V595 HydrophobicContact CB-CG2 4.3Å; A89-L602 HydrophobicContact CB-CD2 3.9Å
90	K	94.1	Very high	90.8	Very high	110 Å²	110	48.7 Å²	48.7	48%	0.478	23%	0.228	S	C	.	.	H	α-helix	trans	-66.7	-45.1	173.1	178.3	-173.7	165.3	-174.2	0	111.1	Q86 Q87 L88 R93 E94	Q86-K90 PolarHBondContact O-N 2.95Å; Q87-K90 WeakPolarHBondContact O-CB 3.23Å; Q87-K90 PolarHBondContact O-N 3.1Å; Q87-K90 VanDerWaalsContact O-N 3.17Å; L88-K90 PolarHBondContact O-N 2.85Å; K90-R93 PolarHBondContact O-N 2.96Å; K90-E94 WeakPolarHBondContact CE-OE1 3.38Å; K90-E94 WeakPolarHBondContact CG-OE1 3.13Å; K90-E94 IonicContact NZ-OE1 3.38Å; K90-E94 WeakPolarHBondContact O-CB 3.13Å; K90-E94 WeakPolarHBondContact O-CG 3.18Å; K90-E94 PolarHBondContact O-N 3.45Å
91	K	92.4	Very high	91.6	Very high	98 Å²	98	50.5 Å²	50.5	43%	0.426	24%	0.238	S	C	.	.	H	α-helix	trans	-61.5	-43.7	176.4	-170.6	-175.8	-179.1	-170.7	0	111.5	Q87 L88 E94 K95 D495	Q87-K91 PolarHBondContact O-N 3.21Å; L88-K91 PolarHBondContact O-N 3.11Å; L88-K91 VanDerWaalsContact O-N 3.14Å; K91-E94 PolarHBondContact O-N 3.47Å; K91-K95 PolarHBondContact O-N 3.44Å; K91-D495 WeakPolarHBondContact CD-OD1 3.12Å; K91-D495 WeakPolarHBondContact CE-OD1 3.27Å; K91-D495 IonicContact NZ-OD1 3.64Å; K91-D495 PolarHBondContact NZ-OD1 2.85Å
92	I	93.3	Very high	92.4	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-64.9	-44.7	178.4	-69.8	171.5	0	0	0	110.8	L88 E94 K95 F96 D495 V496 V595 L602	L88-I92 HydrophobicContact CD1-CD1 4.22Å; L88-I92 HydrophobicContact CD1-CG1 4.47Å; L88-I92 HydrophobicContact CG-CD1 4.01Å; L88-I92 WeakPolarHBondContact O-CG1 3.34Å; L88-I92 PolarHBondContact O-N 2.67Å; I92-E94 VanDerWaalsContact C-N 3.34Å; I92-E94 PolarHBondContact O-N 2.77Å; I92-K95 WeakPolarHBondContact O-CB 3.36Å; I92-K95 PolarHBondContact O-N 2.99Å; I92-F96 HydrophobicContact CG2-CD2 3.65Å; I92-F96 HydrophobicContact CG2-CE2 3.55Å; I92-F96 WeakPolarHBondContact O-CD2 3.42Å; I92-F96 PolarHBondContact O-N 3.49Å; I92-D495 HydrophobicContact CG1-CB 4.27Å; I92-V496 HydrophobicContact CD1-CG2 3.72Å; I92-V595 HydrophobicContact CG2-CG1 4.17Å; I92-V595 HydrophobicContact CG2-CG2 4.14Å; I92-L602 HydrophobicContact CD1-CD1 3.85Å; I92-L602 HydrophobicContact CD1-CD2 4.2Å
93	R	93.9	Very high	92.9	Very high	64 Å²	64	46.4 Å²	46.4	24%	0.242	22%	0.218	C	C	.	.	H	α-helix	trans	-56.8	-45	170.8	-174.9	-166.4	68.6	157.5	13.4	112.1	A89 K90 K95 F96 N97 V595	A89-R93 VanDerWaalsContact O-CB 3.29Å; A89-R93 WeakPolarHBondContact O-CB 3.49Å; A89-R93 PolarHBondContact O-N 3.38Å; K90-R93 PolarHBondContact O-N 2.96Å; R93-K95 PolarHBondContact O-N 3.02Å; R93-F96 PolarHBondContact O-N 3.02Å; R93-F96 VanDerWaalsContact O-N 3.17Å; R93-N97 WeakPolarHBondContact CG-OD1 3.29Å; R93-N97 WeakPolarHBondContact O-CB 3.46Å; R93-N97 PolarHBondContact O-N 2.85Å; R93-N97 PolarHBondContact O-OD1 3.28Å; R93-V595 HydrophobicContact CB-CG1 3.91Å
94	E	92.4	Very high	93.3	Very high	86 Å²	86	46.1 Å²	46.1	40%	0.402	21%	0.212	S	C	.	.	H	α-helix	trans	-66.4	-16.8	177.5	-75.4	169.6	-172.7	0	0	113.9	K90 K91 I92 R98	K90-E94 WeakPolarHBondContact CE-OE1 3.38Å; K90-E94 WeakPolarHBondContact CG-OE1 3.13Å; K90-E94 IonicContact NZ-OE1 3.38Å; K90-E94 WeakPolarHBondContact O-CB 3.13Å; K90-E94 WeakPolarHBondContact O-CG 3.18Å; K90-E94 PolarHBondContact O-N 3.45Å; K91-E94 PolarHBondContact O-N 3.47Å; I92-E94 VanDerWaalsContact C-N 3.34Å; I92-E94 PolarHBondContact O-N 2.77Å; E94-R98 WeakPolarHBondContact O-CG 3.42Å; E94-R98 PolarHBondContact O-NE 3.46Å; E94-R98 VanDerWaalsContact O-NE 3.16Å
95	K	91.1	Very high	93.6	Very high	14 Å²	14	49 Å²	49	6%	0.061	22%	0.222	C	C	.	.	H	α-helix	trans	-83.8	-46.1	168.1	-176.4	173.6	-77.2	175.6	0	111.4	K91 I92 R93 Y99 Y491 I492 E494 D495	K91-K95 PolarHBondContact O-N 3.44Å; I92-K95 WeakPolarHBondContact O-CB 3.36Å; I92-K95 PolarHBondContact O-N 2.99Å; R93-K95 PolarHBondContact O-N 3.02Å; K95-Y99 HydrophobicContact CG-CE2 4.25Å; K95-Y99 VanDerWaalsContact O-CD2 3.24Å; K95-Y99 WeakPolarHBondContact O-CD2 3.07Å; K95-Y491 HydrophobicContact CD-CD1 3.94Å; K95-Y491 HydrophobicContact CD-CE1 3.54Å; K95-Y491 HydrophobicContact CG-CD1 4.36Å; K95-Y491 HydrophobicContact CG-CE1 3.65Å; K95-Y491 PolarHBondContact NZ-O 3.06Å; K95-I492 HydrophobicContact CD-CD1 4.34Å; K95-I492 HydrophobicContact CG-CD1 4.32Å; K95-E494 IonicContact NZ-OE1 3.19Å; K95-E494 PolarHBondContact NZ-OE1 3.13Å; K95-D495 WeakPolarHBondContact CE-OD2 3.27Å; K95-D495 IonicContact NZ-OD2 3.29Å; K95-D495 PolarHBondContact NZ-OD2 3.44Å
96	F	92.3	Very high	93.8	Very high	1 Å²	1	49.1 Å²	49.1	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-63.2	-43.9	177.5	-83.8	-67	0	0	0	113.6	I92 R93 R98 Y99 L100 F453 M467 I492 V595 T598 F600	I92-F96 HydrophobicContact CG2-CD2 3.65Å; I92-F96 HydrophobicContact CG2-CE2 3.55Å; I92-F96 WeakPolarHBondContact O-CD2 3.42Å; I92-F96 PolarHBondContact O-N 3.49Å; R93-F96 PolarHBondContact O-N 3.02Å; R93-F96 VanDerWaalsContact O-N 3.17Å; F96-R98 PolarHBondContact O-N 3.45Å; F96-Y99 PolarHBondContact O-N 2.86Å; F96-L100 PolarHBondContact O-N 2.92Å; F96-F453 HydrophobicContact CD1-CD1 4.06Å; F96-F453 AromaticContact CD1-CE1 3.6Å; F96-F453 HydrophobicContact CD1-CE1 3.6Å; F96-F453 HydrophobicContact CD1-CZ 4.44Å; F96-F453 AromaticContact CE1-CD1 4Å; F96-F453 HydrophobicContact CE1-CD1 4Å; F96-F453 HydrophobicContact CE1-CE1 4.03Å; F96-F453 HydrophobicContact CG-CE1 4.49Å; F96-M467 HydrophobicContact CE1-CE 3.58Å; F96-M467 HydrophobicContact CZ-CE 3.94Å; F96-I492 HydrophobicContact CD1-CD1 4.48Å; F96-I492 HydrophobicContact CE1-CD1 4.23Å; F96-I492 HydrophobicContact CE1-CG2 4.29Å; F96-I492 HydrophobicContact CE2-CG2 4.39Å; F96-I492 HydrophobicContact CZ-CG2 3.78Å; F96-V595 HydrophobicContact CD2-CG1 4.28Å; F96-T598 HydrophobicContact CB-CG2 3.85Å; F96-T598 HydrophobicContact CD1-CG2 4.32Å; F96-T598 HydrophobicContact CD2-CG2 4.01Å; F96-T598 HydrophobicContact CG-CG2 3.82Å; F96-F600 HydrophobicContact CE1-CD2 4Å; F96-F600 AromaticContact CE1-CE2 3.65Å; F96-F600 HydrophobicContact CE1-CE2 3.65Å; F96-F600 AromaticContact CE2-CD2 3.8Å; F96-F600 HydrophobicContact CE2-CD2 3.8Å; F96-F600 HydrophobicContact CE2-CE2 4.27Å; F96-F600 AromaticContact CZ-CD2 3.42Å; F96-F600 HydrophobicContact CZ-CD2 3.42Å; F96-F600 VanDerWaalsContact CZ-CD2 3.42Å; F96-F600 AromaticContact CZ-CE2 3.44Å; F96-F600 HydrophobicContact CZ-CE2 3.44Å; F96-F600 VanDerWaalsContact CZ-CE2 3.44Å; F96-F600 HydrophobicContact CZ-CG 4.46Å; F96-F600 HydrophobicContact CZ-CZ 4.49Å
97	N	92.9	Very high	93.9	Very high	40 Å²	40	45.6 Å²	45.6	21%	0.214	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-26.1	-175.2	-69.7	30.2	0	0	0	112.2	R93 Y99 L100 D101 D597	R93-N97 WeakPolarHBondContact CG-OD1 3.29Å; R93-N97 WeakPolarHBondContact O-CB 3.46Å; R93-N97 PolarHBondContact O-N 2.85Å; R93-N97 PolarHBondContact O-OD1 3.28Å; N97-Y99 VanDerWaalsContact C-N 3.34Å; N97-Y99 PolarHBondContact O-N 3.47Å; N97-L100 PolarHBondContact O-N 2.79Å; N97-D101 WeakPolarHBondContact O-CB 3.32Å; N97-D101 PolarHBondContact O-N 2.94Å; N97-D597 PolarHBondContact ND2-OD2 3.16Å
98	R	93.1	Very high	94	Very high	118 Å²	118	46.3 Å²	46.3	45%	0.445	21%	0.209	S	C	.	.	H	α-helix	trans	-60	-43	171	-63.2	172.3	-168.7	-162.3	-4.4	112.2	E94 F96 D101 V102	E94-R98 WeakPolarHBondContact O-CG 3.42Å; E94-R98 PolarHBondContact O-NE 3.46Å; E94-R98 VanDerWaalsContact O-NE 3.16Å; F96-R98 PolarHBondContact O-N 3.45Å; R98-D101 PolarHBondContact O-N 2.82Å; R98-V102 WeakPolarHBondContact O-CG2 3.43Å; R98-V102 PolarHBondContact O-N 3Å
99	Y	94.4	Very high	94.1	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-73.1	-36.8	178.6	-63.3	-67.8	0	0	0	111.6	K95 F96 N97 D101 V102 V103 P182 I184 V485 V487 Y491 I492	K95-Y99 HydrophobicContact CG-CE2 4.25Å; K95-Y99 VanDerWaalsContact O-CD2 3.24Å; K95-Y99 WeakPolarHBondContact O-CD2 3.07Å; F96-Y99 PolarHBondContact O-N 2.86Å; N97-Y99 VanDerWaalsContact C-N 3.34Å; N97-Y99 PolarHBondContact O-N 3.47Å; Y99-D101 VanDerWaalsContact C-N 3.33Å; Y99-D101 PolarHBondContact O-N 2.87Å; Y99-V102 PolarHBondContact O-N 3.49Å; Y99-V103 VanDerWaalsContact O-CG2 3.31Å; Y99-V103 WeakPolarHBondContact O-CG2 3.47Å; Y99-V103 PolarHBondContact O-N 3.48Å; Y99-P182 PolarHBondContact OH-O 3.2Å; Y99-I184 HydrophobicContact CD1-CG1 4.12Å; Y99-I184 HydrophobicContact CE1-CD1 4.49Å; Y99-I184 HydrophobicContact CE1-CG1 3.61Å; Y99-V485 HydrophobicContact CD1-CG1 4.25Å; Y99-V487 HydrophobicContact CD1-CG1 4.47Å; Y99-V487 HydrophobicContact CD1-CG2 3.42Å; Y99-V487 VanDerWaalsContact CD1-CG2 3.42Å; Y99-V487 HydrophobicContact CD2-CG1 4.45Å; Y99-V487 HydrophobicContact CD2-CG2 4.15Å; Y99-V487 HydrophobicContact CE1-CB 4.29Å; Y99-V487 HydrophobicContact CE1-CG1 3.78Å; Y99-V487 HydrophobicContact CE1-CG2 3.49Å; Y99-V487 VanDerWaalsContact CE1-CG2 3.49Å; Y99-V487 HydrophobicContact CE2-CG1 3.77Å; Y99-V487 HydrophobicContact CE2-CG2 4.22Å; Y99-V487 HydrophobicContact CG-CG2 3.76Å; Y99-V487 WeakPolarHBondContact OH-CG1 3.44Å; Y99-Y491 HydrophobicContact CE2-CD1 4.19Å; Y99-Y491 AromaticContact CE2-CE1 3.92Å; Y99-Y491 HydrophobicContact CE2-CE1 3.92Å; Y99-Y491 AromaticContact CZ-CE1 3.89Å; Y99-Y491 WeakPolarHBondContact OH-CD1 3.47Å; Y99-Y491 WeakPolarHBondContact OH-CE1 3.03Å; Y99-I492 HydrophobicContact CD2-CD1 4.09Å; Y99-I492 HydrophobicContact CE2-CD1 3.77Å
100	L	94.6	Very high	94.1	Very high	25 Å²	25	47 Å²	47	13%	0.131	21%	0.214	C	C	.	.	H	α-helix	trans	-60.5	-41.6	170.6	-176.3	57	0	0	0	111.7	F96 N97 V103 N104 A451 D597	F96-L100 PolarHBondContact O-N 2.92Å; N97-L100 PolarHBondContact O-N 2.79Å; L100-V103 PolarHBondContact O-N 2.92Å; L100-N104 WeakPolarHBondContact O-CB 3.39Å; L100-N104 PolarHBondContact O-N 3.18Å; L100-N104 PolarHBondContact O-ND2 3.3Å; L100-A451 HydrophobicContact CD1-CB 3.49Å; L100-A451 VanDerWaalsContact CD1-CB 3.49Å; L100-D597 HydrophobicContact CD2-CB 4.4Å
101	D	94.7	Very high	94.1	Very high	106 Å²	106	43.8 Å²	43.8	57%	0.567	20%	0.201	S	C	*	.	H	α-helix	trans	-65	-40.5	175.4	-71.9	-25.1	0	0	0	112.2	N97 R98 Y99 N104 R105	N97-D101 WeakPolarHBondContact O-CB 3.32Å; N97-D101 PolarHBondContact O-N 2.94Å; R98-D101 PolarHBondContact O-N 2.82Å; Y99-D101 VanDerWaalsContact C-N 3.33Å; Y99-D101 PolarHBondContact O-N 2.87Å; D101-N104 PolarHBondContact O-N 3.17Å; D101-R105 WeakPolarHBondContact O-CB 3.29Å; D101-R105 PolarHBondContact O-N 3.32Å
102	V	96.1	Very high	94.1	Very high	6 Å²	6	42 Å²	42	4%	0.036	20%	0.204	C	C	.	.	H	α-helix	trans	-62.1	-46.7	172.9	171.3	0	0	0	0	111.2	R98 Y99 R105 N106 N177 N181 I184 V485	R98-V102 WeakPolarHBondContact O-CG2 3.43Å; R98-V102 PolarHBondContact O-N 3Å; Y99-V102 PolarHBondContact O-N 3.49Å; V102-R105 PolarHBondContact O-N 2.98Å; V102-N106 WeakPolarHBondContact O-CB 3.42Å; V102-N106 VanDerWaalsContact O-CG 3.22Å; V102-N106 PolarHBondContact O-N 2.74Å; V102-N106 PolarHBondContact O-OD1 3.38Å; V102-N177 HydrophobicContact CG1-CB 3.96Å; V102-N177 HydrophobicContact CG2-CB 4.31Å; V102-N181 WeakPolarHBondContact CG2-ND2 3.45Å; V102-I184 HydrophobicContact CG1-CD1 4.2Å; V102-I184 HydrophobicContact CG2-CD1 4.39Å; V102-V485 HydrophobicContact CG1-CG1 4.5Å; V102-V485 HydrophobicContact CG1-CG2 3.69Å
103	V	96	Very high	94.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.5	-44.3	176.6	169.6	0	0	0	0	111	Y99 L100 N106 K107 V469 K471 V483 V485	Y99-V103 VanDerWaalsContact O-CG2 3.31Å; Y99-V103 WeakPolarHBondContact O-CG2 3.47Å; Y99-V103 PolarHBondContact O-N 3.48Å; L100-V103 PolarHBondContact O-N 2.92Å; V103-N106 PolarHBondContact O-N 2.98Å; V103-K107 WeakPolarHBondContact O-CB 3.43Å; V103-K107 PolarHBondContact O-N 2.87Å; V103-V469 HydrophobicContact CG2-CB 4.06Å; V103-V469 HydrophobicContact CG2-CG1 4.02Å; V103-V469 WeakPolarHBondContact CG2-O 3.38Å; V103-K471 HydrophobicContact CG1-CB 3.62Å; V103-K471 HydrophobicContact CG1-CD 4.16Å; V103-K471 HydrophobicContact CG1-CG 3.73Å; V103-V483 HydrophobicContact CG1-CG2 4.15Å; V103-V485 HydrophobicContact CG2-CB 4.03Å; V103-V485 HydrophobicContact CG2-CG2 3.53Å
104	N	95.7	Very high	94	Very high	42 Å²	42	41.2 Å²	41.2	23%	0.225	20%	0.204	C	C	.	.	H	α-helix	trans	-62.8	-42.9	175.9	-73.7	-36.5	0	0	0	112.1	L100 D101 K107 Q108	L100-N104 WeakPolarHBondContact O-CB 3.39Å; L100-N104 PolarHBondContact O-N 3.18Å; L100-N104 PolarHBondContact O-ND2 3.3Å; D101-N104 PolarHBondContact O-N 3.17Å; N104-K107 PolarHBondContact O-N 2.99Å; N104-Q108 WeakPolarHBondContact O-CB 3.42Å; N104-Q108 VanDerWaalsContact O-CG 3.28Å; N104-Q108 WeakPolarHBondContact O-CG 3.39Å; N104-Q108 PolarHBondContact O-N 3.32Å
105	R	95.1	Very high	93.9	Very high	90 Å²	90	40.8 Å²	40.8	34%	0.34	21%	0.207	S	C	.	.	H	α-helix	trans	-61.5	-44.4	175.7	-172.4	-177.2	-176.7	-153.1	1.2	111	D101 V102 Q108 V109 V173 D176 N177	D101-R105 WeakPolarHBondContact O-CB 3.29Å; D101-R105 PolarHBondContact O-N 3.32Å; V102-R105 PolarHBondContact O-N 2.98Å; R105-Q108 PolarHBondContact O-N 2.8Å; R105-V109 WeakPolarHBondContact O-CG2 3.4Å; R105-V109 PolarHBondContact O-N 3.39Å; R105-V173 HydrophobicContact CG-CG1 4Å; R105-D176 IonicContact CZ-OD2 3.56Å; R105-D176 VanDerWaalsContact NH1-CB 3.34Å; R105-D176 IonicContact NH1-OD2 3.48Å; R105-D176 IonicContact NH2-OD2 3Å; R105-D176 PolarHBondContact NH2-OD2 2.8Å; R105-N177 PolarHBondContact NH1-OD1 2.71Å
106	N	95.5	Very high	93.7	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.016	22%	0.222	C	C	.	.	H	α-helix	trans	-64.4	-45.9	178.5	-68.9	-7.1	0	0	0	111.4	V102 V103 Q108 V109 V110 L174 N177 Q187 V483	V102-N106 WeakPolarHBondContact O-CB 3.42Å; V102-N106 VanDerWaalsContact O-CG 3.22Å; V102-N106 PolarHBondContact O-N 2.74Å; V102-N106 PolarHBondContact O-OD1 3.38Å; V103-N106 PolarHBondContact O-N 2.98Å; N106-Q108 PolarHBondContact O-N 2.78Å; N106-V109 PolarHBondContact O-N 3.24Å; N106-V110 WeakPolarHBondContact O-CG2 3.11Å; N106-V110 PolarHBondContact O-N 3.2Å; N106-L174 WeakPolarHBondContact ND2-CD2 3.19Å; N106-N177 PolarHBondContact OD1-ND2 2.93Å; N106-Q187 PolarHBondContact ND2-OE1 3.15Å; N106-V483 HydrophobicContact CB-CB 4.25Å; N106-V483 HydrophobicContact CB-CG1 4.13Å; N106-V483 HydrophobicContact CB-CG2 4.48Å
107	K	95.1	Very high	93.6	Very high	12 Å²	12	43.4 Å²	43.4	5%	0.052	23%	0.227	C	C	.	.	H	α-helix	trans	-55.5	-51.1	174.6	170.2	-179.8	164.1	76.3	0	111.9	V103 N104 V109 V110 E111 D449 K471 P472 V483	V103-K107 WeakPolarHBondContact O-CB 3.43Å; V103-K107 PolarHBondContact O-N 2.87Å; N104-K107 PolarHBondContact O-N 2.99Å; K107-V109 VanDerWaalsContact C-N 3.29Å; K107-V109 PolarHBondContact O-N 3.4Å; K107-V110 PolarHBondContact O-N 2.96Å; K107-E111 WeakPolarHBondContact CE-OE1 3.47Å; K107-E111 HydrophobicContact CG-CG 4.41Å; K107-E111 IonicContact NZ-OE1 3.28Å; K107-E111 PolarHBondContact NZ-OE1 3.14Å; K107-E111 IonicContact NZ-OE2 2.79Å; K107-E111 WeakPolarHBondContact O-CG 3.34Å; K107-E111 PolarHBondContact O-N 3.45Å; K107-D449 VanDerWaalsContact CE-OD1 3.25Å; K107-D449 WeakPolarHBondContact CE-OD1 3.38Å; K107-D449 WeakPolarHBondContact CE-OD2 3.48Å; K107-D449 VanDerWaalsContact NZ-CG 3.33Å; K107-D449 IonicContact NZ-OD1 3.8Å; K107-D449 PolarHBondContact NZ-OD1 3.43Å; K107-D449 IonicContact NZ-OD2 2.73Å; K107-D449 PolarHBondContact NZ-OD2 3.44Å; K107-K471 HydrophobicContact CD-CB 4.38Å; K107-K471 HydrophobicContact CD-CD 4.03Å; K107-P472 PolarHBondContact NZ-O 2.84Å; K107-V483 HydrophobicContact CB-CG2 3.83Å
108	Q	94.1	Very high	93.5	Very high	130 Å²	130	46.2 Å²	46.2	61%	0.607	24%	0.241	S	C	*	.	H	α-helix	trans	-58.2	-40.2	180	-74.8	171.6	5.6	0	0	112.6	N104 R105 N106 A112	N104-Q108 WeakPolarHBondContact O-CB 3.42Å; N104-Q108 VanDerWaalsContact O-CG 3.28Å; N104-Q108 WeakPolarHBondContact O-CG 3.39Å; N104-Q108 PolarHBondContact O-N 3.32Å; R105-Q108 PolarHBondContact O-N 2.8Å; N106-Q108 PolarHBondContact O-N 2.78Å; Q108-A112 VanDerWaalsContact O-CB 3.25Å; Q108-A112 WeakPolarHBondContact O-CB 3.29Å; Q108-A112 PolarHBondContact O-N 2.81Å
109	V	94.3	Very high	93.3	Very high	37 Å²	37	46.5 Å²	46.5	22%	0.224	26%	0.257	C	S	.	.	H	α-helix	trans	-71.5	-40	178.3	179	0	0	0	0	111.1	R105 N106 K107 A112 S113 L170 V173	R105-V109 WeakPolarHBondContact O-CG2 3.4Å; R105-V109 PolarHBondContact O-N 3.39Å; N106-V109 PolarHBondContact O-N 3.24Å; K107-V109 VanDerWaalsContact C-N 3.29Å; K107-V109 PolarHBondContact O-N 3.4Å; V109-A112 PolarHBondContact O-N 2.79Å; V109-S113 VanDerWaalsContact O-CB 3.31Å; V109-S113 WeakPolarHBondContact O-CB 3.44Å; V109-S113 PolarHBondContact O-N 3.43Å; V109-S113 PolarHBondContact O-OG 3.04Å; V109-L170 HydrophobicContact CB-CD2 4.01Å; V109-L170 HydrophobicContact CG1-CD2 3.64Å; V109-V173 HydrophobicContact CG2-CG1 4.48Å; V109-V173 HydrophobicContact CG2-CG2 4.2Å
110	V	95.1	Very high	93	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.3	-48.6	173.8	169.9	0	0	0	0	111.7	N106 K107 A112 S113 Y114 F164 P166 L170 F189 C473 L480 V483	N106-V110 WeakPolarHBondContact O-CG2 3.11Å; N106-V110 PolarHBondContact O-N 3.2Å; K107-V110 PolarHBondContact O-N 2.96Å; V110-A112 PolarHBondContact O-N 3.21Å; V110-S113 PolarHBondContact O-N 3.41Å; V110-Y114 PolarHBondContact O-N 3.49Å; V110-F164 HydrophobicContact CG1-CE1 3.92Å; V110-F164 HydrophobicContact CG1-CZ 4.28Å; V110-F164 WeakPolarHBondContact O-CZ 3.36Å; V110-P166 HydrophobicContact CG2-CG 4.31Å; V110-L170 HydrophobicContact CG2-CD1 4.02Å; V110-L170 HydrophobicContact CG2-CD2 4Å; V110-F189 HydrophobicContact CG1-CD2 3.91Å; V110-F189 HydrophobicContact CG1-CE2 3.59Å; V110-F189 HydrophobicContact CG1-CZ 4.06Å; V110-F189 HydrophobicContact CG2-CD2 3.99Å; V110-F189 HydrophobicContact CG2-CG 4.24Å; V110-C473 HydrophobicContact CG1-CB 4.04Å; V110-L480 HydrophobicContact CG1-CD1 4.43Å; V110-V483 HydrophobicContact CG2-CG1 3.84Å
111	E	93.8	Very high	92.6	Very high	42 Å²	42	52.8 Å²	52.8	20%	0.196	30%	0.301	C	S	.	.	H	α-helix	trans	-66.7	-36.4	-178.7	-67.9	173	163	0	0	111.8	K107 T115 C473 Y474 L480	K107-E111 WeakPolarHBondContact CE-OE1 3.47Å; K107-E111 HydrophobicContact CG-CG 4.41Å; K107-E111 IonicContact NZ-OE1 3.28Å; K107-E111 PolarHBondContact NZ-OE1 3.14Å; K107-E111 IonicContact NZ-OE2 2.79Å; K107-E111 WeakPolarHBondContact O-CG 3.34Å; K107-E111 PolarHBondContact O-N 3.45Å; E111-T115 PolarHBondContact O-OG1 2.82Å; E111-C473 HydrophobicContact CG-CB 4.12Å; E111-C473 VanDerWaalsContact OE1-CA 3.29Å; E111-C473 WeakPolarHBondContact OE1-CA 3.43Å; E111-Y474 PolarHBondContact OE1-N 2.79Å; E111-L480 HydrophobicContact CG-CD1 4.4Å
112	A	92.1	Very high	92.4	Very high	60 Å²	60	49.6 Å²	49.6	50%	0.496	28%	0.284	S	S	.	.	H	α-helix	trans	-66.7	-45.4	171	0	0	0	0	0	112.4	Q108 V109 V110 Y114 T115 A116	Q108-A112 VanDerWaalsContact O-CB 3.25Å; Q108-A112 WeakPolarHBondContact O-CB 3.29Å; Q108-A112 PolarHBondContact O-N 2.81Å; V109-A112 PolarHBondContact O-N 2.79Å; V110-A112 PolarHBondContact O-N 3.21Å; A112-Y114 VanDerWaalsContact C-N 3.26Å; A112-Y114 PolarHBondContact O-N 3.49Å; A112-T115 VanDerWaalsContact O-CB 3.27Å; A112-T115 WeakPolarHBondContact O-CB 3.34Å; A112-T115 PolarHBondContact O-N 3.01Å; A112-A116 PolarHBondContact O-N 2.98Å
113	S	93.3	Very high	92	Very high	17 Å²	17	51.7 Å²	51.7	12%	0.119	30%	0.297	C	S	.	.	H	α-helix	trans	-62.8	-30.9	178.2	-68.8	0	0	0	0	112.7	V109 V110 T115 A116 H117 L122	V109-S113 VanDerWaalsContact O-CB 3.31Å; V109-S113 WeakPolarHBondContact O-CB 3.44Å; V109-S113 PolarHBondContact O-N 3.43Å; V109-S113 PolarHBondContact O-OG 3.04Å; V110-S113 PolarHBondContact O-N 3.41Å; S113-T115 VanDerWaalsContact C-N 3.29Å; S113-T115 PolarHBondContact O-N 3.49Å; S113-A116 WeakPolarHBondContact O-CB 3.5Å; S113-A116 PolarHBondContact O-N 2.88Å; S113-A116 VanDerWaalsContact O-N 3.13Å; S113-H117 PolarHBondContact O-N 2.71Å; S113-L122 WeakPolarHBondContact O-CD1 3.38Å
114	Y	93.3	Very high	91.7	Very high	35 Å²	35	53.9 Å²	53.9	14%	0.137	32%	0.315	C	S	.	.	H	α-helix	trans	-63.6	-36.1	172.7	-168.1	-100.7	0	0	0	112.3	V110 A112 A116 H117 L118 F164 F475 L478 L480	V110-Y114 PolarHBondContact O-N 3.49Å; A112-Y114 VanDerWaalsContact C-N 3.26Å; A112-Y114 PolarHBondContact O-N 3.49Å; Y114-A116 VanDerWaalsContact C-N 3.26Å; Y114-A116 PolarHBondContact O-N 3.4Å; Y114-H117 WeakPolarHBondContact O-CB 3.37Å; Y114-H117 PolarHBondContact O-N 3.1Å; Y114-L118 HydrophobicContact CD1-CD1 4.29Å; Y114-L118 HydrophobicContact CD1-CG 4.33Å; Y114-L118 HydrophobicContact CE1-CD1 4.13Å; Y114-L118 HydrophobicContact CE1-CD2 4.05Å; Y114-L118 HydrophobicContact CE1-CG 4.08Å; Y114-L118 WeakPolarHBondContact O-CG 3.46Å; Y114-L118 PolarHBondContact O-N 2.89Å; Y114-L118 VanDerWaalsContact O-N 3.09Å; Y114-F164 HydrophobicContact CD2-CB 4.18Å; Y114-F164 AromaticContact CD2-CD1 3.71Å; Y114-F164 HydrophobicContact CD2-CD1 3.71Å; Y114-F164 AromaticContact CD2-CD2 3.9Å; Y114-F164 HydrophobicContact CD2-CD2 3.9Å; Y114-F164 AromaticContact CD2-CE1 3.96Å; Y114-F164 HydrophobicContact CD2-CE1 3.96Å; Y114-F164 HydrophobicContact CD2-CE2 4.15Å; Y114-F164 AromaticContact CD2-CG 3.67Å; Y114-F164 HydrophobicContact CD2-CG 3.67Å; Y114-F164 HydrophobicContact CD2-CZ 4.17Å; Y114-F164 HydrophobicContact CE2-CB 4.18Å; Y114-F164 HydrophobicContact CE2-CD1 4.37Å; Y114-F164 HydrophobicContact CE2-CG 4.18Å; Y114-F475 HydrophobicContact CD1-CB 3.72Å; Y114-F475 AromaticContact CD1-CD1 3.92Å; Y114-F475 HydrophobicContact CD1-CD1 3.92Å; Y114-F475 AromaticContact CD1-CD2 3.7Å; Y114-F475 HydrophobicContact CD1-CD2 3.7Å; Y114-F475 HydrophobicContact CD1-CE1 4.48Å; Y114-F475 HydrophobicContact CD1-CE2 4.28Å; Y114-F475 AromaticContact CD1-CG 3.49Å; Y114-F475 HydrophobicContact CD1-CG 3.49Å; Y114-F475 VanDerWaalsContact CD1-CG 3.49Å; Y114-F475 HydrophobicContact CE1-CB 3.96Å; Y114-F475 AromaticContact CE1-CD1 3.74Å; Y114-F475 HydrophobicContact CE1-CD1 3.74Å; Y114-F475 HydrophobicContact CE1-CD2 4.37Å; Y114-F475 HydrophobicContact CE1-CE1 4.33Å; Y114-F475 AromaticContact CE1-CG 3.76Å; Y114-F475 HydrophobicContact CE1-CG 3.76Å; Y114-L478 HydrophobicContact CE1-CD2 4.38Å; Y114-L478 WeakPolarHBondContact OH-CD2 3.39Å; Y114-L480 HydrophobicContact CD1-CD1 4.4Å; Y114-L480 HydrophobicContact CD1-CD2 3.87Å; Y114-L480 HydrophobicContact CD2-CD1 4.21Å; Y114-L480 HydrophobicContact CD2-CD2 3.57Å; Y114-L480 HydrophobicContact CD2-CG 4.5Å; Y114-L480 HydrophobicContact CE1-CD2 3.9Å; Y114-L480 HydrophobicContact CE2-CD2 3.61Å; Y114-L480 HydrophobicContact CG-CD1 3.85Å; Y114-L480 HydrophobicContact CG-CD2 3.69Å; Y114-L480 HydrophobicContact CG-CG 4.44Å
115	T	89.6	Confident	91.3	Very high	76 Å²	76	55.1 Å²	55.1	47%	0.466	32%	0.321	S	S	.	.	H	α-helix	trans	-62.7	-35.1	173.6	-52.3	0	0	0	0	111.4	E111 A112 S113	E111-T115 PolarHBondContact O-OG1 2.82Å; A112-T115 VanDerWaalsContact O-CB 3.27Å; A112-T115 WeakPolarHBondContact O-CB 3.34Å; A112-T115 PolarHBondContact O-N 3.01Å; S113-T115 VanDerWaalsContact C-N 3.29Å; S113-T115 PolarHBondContact O-N 3.49Å
116	A	87.5	Confident	91.1	Very high	45 Å²	45	53.5 Å²	53.5	37%	0.372	32%	0.317	S	S	.	.	H	α-helix	trans	-69.4	-45	171.4	0	0	0	0	0	111.9	A112 S113 Y114 L118 T119 S120 L122	A112-A116 PolarHBondContact O-N 2.98Å; S113-A116 WeakPolarHBondContact O-CB 3.5Å; S113-A116 PolarHBondContact O-N 2.88Å; S113-A116 VanDerWaalsContact O-N 3.13Å; Y114-A116 VanDerWaalsContact C-N 3.26Å; Y114-A116 PolarHBondContact O-N 3.4Å; A116-L118 PolarHBondContact O-N 3.27Å; A116-T119 PolarHBondContact O-N 2.65Å; A116-T119 PolarHBondContact O-OG1 2.8Å; A116-S120 PolarHBondContact O-N 2.93Å; A116-L122 HydrophobicContact CB-CD1 4.39Å
117	H	90.6	Very high	90.8	Very high	26 Å²	26	55.5 Å²	55.5	12%	0.12	33%	0.328	C	S	.	.	H	α-helix	trans	-53.5	-37.6	177.3	177.1	106	0	0	0	112.7	S113 Y114 T119 S120 L122 R162 F164	S113-H117 PolarHBondContact O-N 2.71Å; Y114-H117 WeakPolarHBondContact O-CB 3.37Å; Y114-H117 PolarHBondContact O-N 3.1Å; H117-T119 PolarHBondContact O-N 2.93Å; H117-T119 VanDerWaalsContact O-N 3.17Å; H117-S120 WeakPolarHBondContact CA-O 3.37Å; H117-S120 CarbonylContact O-C 3.53Å; H117-S120 PolarHBondContact O-N 2.97Å; H117-L122 HydrophobicContact CB-CB 4.18Å; H117-L122 HydrophobicContact CB-CD1 4.32Å; H117-L122 HydrophobicContact CB-CG 4.17Å; H117-L122 PolarHBondContact ND1-N 2.89Å; H117-L122 PolarHBondContact ND1-O 3.4Å; H117-R162 PolarHBondContact CE1-O 3.31Å; H117-F164 HydrophobicContact CB-CD2 3.76Å; H117-F164 HydrophobicContact CB-CE2 4.09Å; H117-F164 AromaticContact CG-CD2 3.79Å; H117-F164 AromaticContact ND1-CD2 3.68Å
118	L	90.1	Very high	90.6	Very high	98 Å²	98	55 Å²	55	51%	0.513	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-18	175.5	-68.6	175.5	0	0	0	114.6	Y114 A116 F475	Y114-L118 HydrophobicContact CD1-CD1 4.29Å; Y114-L118 HydrophobicContact CD1-CG 4.33Å; Y114-L118 HydrophobicContact CE1-CD1 4.13Å; Y114-L118 HydrophobicContact CE1-CD2 4.05Å; Y114-L118 HydrophobicContact CE1-CG 4.08Å; Y114-L118 WeakPolarHBondContact O-CG 3.46Å; Y114-L118 PolarHBondContact O-N 2.89Å; Y114-L118 VanDerWaalsContact O-N 3.09Å; A116-L118 PolarHBondContact O-N 3.27Å; L118-F475 HydrophobicContact CD1-CE1 3.69Å; L118-F475 HydrophobicContact CD1-CE2 4.25Å; L118-F475 HydrophobicContact CD1-CZ 3.52Å
119	T	89.3	Confident	90.3	Very high	125 Å²	125	50.9 Å²	50.9	77%	0.767	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	-29.5	177.6	61.2	0	0	0	0	113.3	A116 H117	A116-T119 PolarHBondContact O-N 2.65Å; A116-T119 PolarHBondContact O-OG1 2.8Å; H117-T119 PolarHBondContact O-N 2.93Å; H117-T119 VanDerWaalsContact O-N 3.17Å
120	S	87.8	Confident	90.1	Very high	78 Å²	78	53.5 Å²	53.5	55%	0.545	33%	0.327	S	S	.	.	S	Bend	trans	-146	105.3	175.7	174.8	0	0	0	0	109.4	A116 H117 L122	A116-S120 PolarHBondContact O-N 2.93Å; H117-S120 WeakPolarHBondContact CA-O 3.37Å; H117-S120 CarbonylContact O-C 3.53Å; H117-S120 PolarHBondContact O-N 2.97Å; S120-L122 PolarHBondContact O-N 2.56Å
121	P	86.8	Confident	89.8	Confident	81 Å²	81	54.1 Å²	54.1	53%	0.526	33%	0.33	S	S	.	.			trans	-57.7	106.9	-169.9	-29.4	36.7	0	0	0	114.7	T123	P121-T123 HydrophobicContact CB-CG2 3.87Å; P121-T123 PolarHBondContact O-N 2.87Å; P121-T123 PolarHBondContact O-OG1 3.04Å
122	L	88.9	Confident	89.6	Confident	38 Å²	38	54.6 Å²	54.6	20%	0.199	34%	0.337	C	S	.	.			trans	-74.3	100.4	170.3	-58.6	177.5	0	0	0	109.4	S113 A116 H117 S120 F164 N165	S113-L122 WeakPolarHBondContact O-CD1 3.38Å; A116-L122 HydrophobicContact CB-CD1 4.39Å; H117-L122 HydrophobicContact CB-CB 4.18Å; H117-L122 HydrophobicContact CB-CD1 4.32Å; H117-L122 HydrophobicContact CB-CG 4.17Å; H117-L122 PolarHBondContact ND1-N 2.89Å; H117-L122 PolarHBondContact ND1-O 3.4Å; S120-L122 PolarHBondContact O-N 2.56Å; L122-F164 HydrophobicContact CD1-CE2 4.38Å; L122-N165 PolarHBondContact O-N 3.43Å
123	T	88.8	Confident	89.3	Confident	50 Å²	50	56.7 Å²	56.7	31%	0.307	35%	0.345	S	S	.	.			trans	-137	4.6	-169.5	55.5	0	0	0	0	113.8	P121 I125	P121-T123 HydrophobicContact CB-CG2 3.87Å; P121-T123 PolarHBondContact O-N 2.87Å; P121-T123 PolarHBondContact O-OG1 3.04Å; T123-I125 PolarHBondContact O-N 3.16Å
124	A	88.4	Confident	89.2	Confident	46 Å²	46	61.4 Å²	61.4	38%	0.38	38%	0.378	S	S	.	.			trans	-78.8	108.2	-171.7	0	0	0	0	0	112.4	N165	A124-N165 PolarHBondContact O-ND2 2.94Å
125	I	88.9	Confident	89	Confident	68 Å²	68	64.9 Å²	64.9	35%	0.349	40%	0.397	S	S	.	.			trans	-87.5	146.3	-177	-65.6	162.2	0	0	0	112	T123 D153 L155	T123-I125 PolarHBondContact O-N 3.16Å; I125-D153 WeakPolarHBondContact CA-OD2 3.36Å; I125-D153 HydrophobicContact CG2-CB 4.07Å; I125-L155 HydrophobicContact CD1-CD1 4.13Å; I125-L155 HydrophobicContact CD1-CD2 4.06Å; I125-L155 HydrophobicContact CG1-CD2 4.43Å; I125-L155 HydrophobicContact CG2-CD1 4.28Å; I125-L155 HydrophobicContact CG2-CD2 4.19Å
126	Q	90.1	Very high	89	Confident	57 Å²	57	62.1 Å²	62.1	27%	0.266	38%	0.379	S	S	.	.			trans	-130	76.1	177.1	-169.8	63.9	53.9	0	0	110.8	C128 C152 D153	Q126-C128 PolarHBondContact O-N 2.86Å; Q126-C152 CarbonylContact O-C 3.38Å; Q126-C152 VanDerWaalsContact O-CA 3.29Å; Q126-C152 WeakPolarHBondContact O-CA 3.17Å; Q126-C152 WeakPolarHBondContact O-CB 3.43Å; Q126-D153 PolarHBondContact N-OD2 2.95Å; Q126-D153 PolarHBondContact O-N 3.41Å
127	D	89.9	Confident	89.2	Confident	45 Å²	45	67.7 Å²	67.7	24%	0.241	40%	0.397	C	S	.	.	B	Isolated β-bridge	trans	-57.9	121.6	-174.3	177.7	15.2	0	0	0	112.6	C129 T130 D153 R154	D127-C129 PolarHBondContact O-N 2.85Å; D127-C129 WeakPolarHBondContact OD1-CB 3.32Å; D127-C129 PolarHBondContact OD1-N 3.43Å; D127-C129 PolarHBondContact OD1-SG 2.95Å; D127-C129 VanDerWaalsContact OD1-SG 3.4Å; D127-C129 WeakPolarHBondContact OD2-CB 3.23Å; D127-T130 HydrophobicContact CB-CG2 4.09Å; D127-T130 PolarHBondContact O-N 3.43Å; D127-T130 PolarHBondContact O-OG1 3.36Å; D127-D153 WeakPolarHBondContact CA-O 3.47Å; D127-R154 IonicContact OD1-NH1 3.78Å; D127-R154 PolarHBondContact OD1-NH1 2.89Å
128	C	90.5	Very high	89.1	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.007	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-52.2	-27.9	177.5	-58.8	0	0	0	0	113.5	Q126 T130 C152 D153 F204	Q126-C128 PolarHBondContact O-N 2.86Å; C128-T130 VanDerWaalsContact C-N 3.26Å; C128-T130 PolarHBondContact O-N 2.92Å; C128-C152 VanDerWaalsContact CA-SG 3.57Å; C128-C152 HydrophobicContact CB-CB 3.83Å; C128-C152 WeakPolarHBondContact CB-SG 3.47Å; C128-C152 WeakPolarHBondContact SG-CB 3.34Å; C128-C152 CovalentContact SG-SG 2.03Å; C128-C152 PolarHBondContact SG-SG 3.32Å; C128-D153 PolarHBondContact N-O 2.87Å; C128-D153 PolarHBondContact SG-N 2.69Å; C128-D153 VanDerWaalsContact SG-N 3.45Å; C128-D153 PolarHBondContact SG-O 3.02Å; C128-D153 VanDerWaalsContact SG-O 3.4Å; C128-F204 HydrophobicContact CB-CD2 3.53Å; C128-F204 HydrophobicContact CB-CE2 4.13Å; C128-F204 HydrophobicContact CB-CG 4.43Å; C128-F204 VanDerWaalsContact SG-CD2 3.53Å; C128-F204 WeakPolarHBondContact SG-CE2 3.41Å
129	C	88.4	Confident	88.8	Confident	44 Å²	44	68.5 Å²	68.5	30%	0.297	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-73.7	-14.1	-179.3	-57.9	0	0	0	0	114.2	D127 R154 C206	D127-C129 PolarHBondContact O-N 2.85Å; D127-C129 WeakPolarHBondContact OD1-CB 3.32Å; D127-C129 PolarHBondContact OD1-N 3.43Å; D127-C129 PolarHBondContact OD1-SG 2.95Å; D127-C129 VanDerWaalsContact OD1-SG 3.4Å; D127-C129 WeakPolarHBondContact OD2-CB 3.23Å; C129-R154 PolarHBondContact SG-NH1 3.47Å; C129-C206 WeakPolarHBondContact CA-SG 3.49Å; C129-C206 HydrophobicContact CB-CB 3.83Å; C129-C206 WeakPolarHBondContact CB-SG 3.43Å; C129-C206 WeakPolarHBondContact SG-CB 3.44Å; C129-C206 CovalentContact SG-SG 2.02Å; C129-C206 PolarHBondContact SG-SG 3.4Å
130	T	89.6	Confident	88.4	Confident	91 Å²	91	65.3 Å²	65.3	56%	0.558	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-103.4	-5.8	-174.1	66.1	0	0	0	0	114.3	D127 C128	D127-T130 HydrophobicContact CB-CG2 4.09Å; D127-T130 PolarHBondContact O-N 3.43Å; D127-T130 PolarHBondContact O-OG1 3.36Å; C128-T130 VanDerWaalsContact C-N 3.26Å; C128-T130 PolarHBondContact O-N 2.92Å
131	I	88.9	Confident	88	Confident	13 Å²	13	64 Å²	64	7%	0.067	38%	0.38	C	S	.	.			trans	-68.4	129.2	-172	-58.4	175.9	0	0	0	110.7	M135 M136 C152 A201	I131-M135 HydrophobicContact CG2-CB 4.3Å; I131-M136 HydrophobicContact CB-CE 3.53Å; I131-M136 HydrophobicContact CD1-CE 4.47Å; I131-M136 HydrophobicContact CG2-CE 3.49Å; I131-M136 VanDerWaalsContact CG2-CE 3.49Å; I131-M136 HydrophobicContact CG2-CG 4.34Å; I131-C152 HydrophobicContact CD1-CB 3.58Å; I131-A201 HydrophobicContact CD1-CB 3.67Å
132	P	88.7	Confident	88	Confident	53 Å²	53	60.3 Å²	60.3	34%	0.344	36%	0.356	S	S	.	.			trans	-69	140.1	-179.4	28.6	-35.2	0	0	0	111.2	S134 M135	P132-S134 PolarHBondContact O-N 2.85Å; P132-M135 HydrophobicContact CG-CB 4.34Å; P132-M135 HydrophobicContact CG-CE 4.17Å; P132-M135 HydrophobicContact CG-CG 3.88Å; P132-M135 HydrophobicContact CG-SD 3.63Å; P132-M135 PolarHBondContact O-N 3.38Å
133	P	86.2	Confident	87.8	Confident	103 Å²	103	62.5 Å²	62.5	67%	0.669	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-56.4	-26.2	179.1	-27.8	35.6	0	0	0	114.6	M135 M136	P133-M135 PolarHBondContact O-N 2.94Å; P133-M136 PolarHBondContact O-N 3.32Å; P133-M136 VanDerWaalsContact O-N 3.15Å
134	S	90.1	Very high	87.9	Confident	116 Å²	116	61.7 Å²	61.7	81%	0.811	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-70.4	-3.6	177.1	60.4	0	0	0	0	114.9	P132	P132-S134 PolarHBondContact O-N 2.85Å
135	M	89.4	Confident	88	Confident	108 Å²	108	63 Å²	63	53%	0.532	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-105.6	2.5	172.3	-69.7	179.1	178.2	0	0	112.8	I131 P132 P133 S147	I131-M135 HydrophobicContact CG2-CB 4.3Å; P132-M135 HydrophobicContact CG-CB 4.34Å; P132-M135 HydrophobicContact CG-CE 4.17Å; P132-M135 HydrophobicContact CG-CG 3.88Å; P132-M135 HydrophobicContact CG-SD 3.63Å; P132-M135 PolarHBondContact O-N 3.38Å; P133-M135 PolarHBondContact O-N 2.94Å; M135-S147 WeakPolarHBondContact O-CB 3.3Å; M135-S147 PolarHBondContact O-OG 2.92Å
136	M	90.1	Very high	88.2	Confident	19 Å²	19	60 Å²	60	9%	0.094	35%	0.348	C	S	.	.			trans	-117.3	136.4	-179.4	-52.2	-179.6	-178	0	0	111.3	I131 P133 N145 V146 K203	I131-M136 HydrophobicContact CB-CE 3.53Å; I131-M136 HydrophobicContact CD1-CE 4.47Å; I131-M136 HydrophobicContact CG2-CE 3.49Å; I131-M136 VanDerWaalsContact CG2-CE 3.49Å; I131-M136 HydrophobicContact CG2-CG 4.34Å; P133-M136 PolarHBondContact O-N 3.32Å; P133-M136 VanDerWaalsContact O-N 3.15Å; M136-N145 HydrophobicContact CB-CB 3.99Å; M136-N145 HydrophobicContact SD-CB 4.31Å; M136-V146 WeakPolarHBondContact CA-O 3.4Å; M136-K203 HydrophobicContact CE-CB 4Å; M136-K203 HydrophobicContact SD-CB 4.08Å
137	E	91.4	Very high	88.4	Confident	161 Å²	161	57.6 Å²	57.6	75%	0.752	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	148.2	172.6	-64.4	-177.6	160.9	0	0	109.3	D139 N145 V146	E137-D139 PolarHBondContact O-N 2.73Å; E137-N145 CarbonylContact O-C 3.58Å; E137-N145 WeakPolarHBondContact O-CA 3.29Å; E137-V146 PolarHBondContact N-O 2.89Å; E137-V146 PolarHBondContact O-N 2.93Å
138	F	89.1	Confident	88.5	Confident	128 Å²	128	62.1 Å²	62.1	56%	0.561	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	128.5	176.4	178.6	-96.8	0	0	0	110.3	N145	F138-N145 WeakPolarHBondContact CB-OD1 3.37Å; F138-N145 WeakPolarHBondContact CD2-OD1 3.24Å
139	D	84.8	Confident	88.5	Confident	13 Å²	13	67 Å²	67	7%	0.07	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	110.7	-178.2	-169.6	-26.7	0	0	0	110.7	E137 S141 F142 N143 T144 V146 R148	E137-D139 PolarHBondContact O-N 2.73Å; D139-S141 PolarHBondContact O-N 3.05Å; D139-S141 VanDerWaalsContact O-N 3.1Å; D139-S141 VanDerWaalsContact OD1-CB 3.24Å; D139-S141 WeakPolarHBondContact OD1-CB 3.42Å; D139-S141 PolarHBondContact OD1-N 2.66Å; D139-S141 PolarHBondContact OD1-OG 3.32Å; D139-F142 HydrophobicContact CB-CB 4.45Å; D139-F142 HydrophobicContact CB-CD2 3.98Å; D139-F142 VanDerWaalsContact CG-CD2 3.48Å; D139-F142 CarbonylContact O-C 3.56Å; D139-F142 PolarHBondContact O-N 2.79Å; D139-F142 WeakPolarHBondContact OD2-CD2 3.42Å; D139-N143 PolarHBondContact O-N 2.99Å; D139-T144 PolarHBondContact N-O 2.81Å; D139-V146 HydrophobicContact CB-CG2 3.58Å; D139-R148 IonicContact OD1-NH2 2.82Å; D139-R148 PolarHBondContact OD1-NH2 2.81Å; D139-R148 IonicContact OD2-CZ 2.69Å; D139-R148 IonicContact OD2-NE 3.2Å; D139-R148 PolarHBondContact OD2-NE 3.1Å; D139-R148 IonicContact OD2-NH2 2.82Å; D139-R148 PolarHBondContact OD2-NH2 2.92Å
140	G	79.2	Confident	88.7	Confident	58 Å²	58	66.9 Å²	66.9	60%	0.598	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.4	179.9	0	0	0	0	0	114.5	F142	G140-F142 VanDerWaalsContact C-N 3.28Å
141	S	80.8	Confident	88.9	Confident	51 Å²	51	62.7 Å²	62.7	36%	0.357	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-26.1	172.8	-28.4	0	0	0	0	112.1	D139 K185	D139-S141 PolarHBondContact O-N 3.05Å; D139-S141 VanDerWaalsContact O-N 3.1Å; D139-S141 VanDerWaalsContact OD1-CB 3.24Å; D139-S141 WeakPolarHBondContact OD1-CB 3.42Å; D139-S141 PolarHBondContact OD1-N 2.66Å; D139-S141 PolarHBondContact OD1-OG 3.32Å; S141-K185 WeakPolarHBondContact O-CD 3.47Å; S141-K185 WeakPolarHBondContact O-CE 3.05Å
142	F	85.9	Confident	89.1	Confident	3 Å²	3	62.1 Å²	62.1	1%	0.013	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-17.8	-178.4	-68	-98.5	0	0	0	113	D139 G140 T144 V146 L178 K185 W186 P200 G462	D139-F142 HydrophobicContact CB-CB 4.45Å; D139-F142 HydrophobicContact CB-CD2 3.98Å; D139-F142 VanDerWaalsContact CG-CD2 3.48Å; D139-F142 CarbonylContact O-C 3.56Å; D139-F142 PolarHBondContact O-N 2.79Å; D139-F142 WeakPolarHBondContact OD2-CD2 3.42Å; G140-F142 VanDerWaalsContact C-N 3.28Å; F142-T144 HydrophobicContact CB-CG2 4.07Å; F142-T144 PolarHBondContact O-N 3.34Å; F142-V146 HydrophobicContact CB-CG1 4.02Å; F142-V146 HydrophobicContact CD1-CG1 4.22Å; F142-V146 HydrophobicContact CD2-CG2 4.47Å; F142-V146 HydrophobicContact CG-CG1 4.02Å; F142-L178 HydrophobicContact CZ-CD1 4.14Å; F142-L178 HydrophobicContact CZ-CD2 4.48Å; F142-K185 HydrophobicContact CD1-CD 4.32Å; F142-K185 WeakPolarHBondContact CE1-O 3.4Å; F142-K185 WeakPolarHBondContact CZ-O 3.34Å; F142-W186 HydrophobicContact CD1-CD2 4.12Å; F142-W186 AromaticContact CD1-CE2 3.99Å; F142-W186 AromaticContact CD1-CE3 3.92Å; F142-W186 HydrophobicContact CD1-CE3 3.92Å; F142-W186 AromaticContact CD1-CH2 3.52Å; F142-W186 HydrophobicContact CD1-CH2 3.52Å; F142-W186 AromaticContact CD1-CZ2 3.71Å; F142-W186 HydrophobicContact CD1-CZ2 3.71Å; F142-W186 AromaticContact CD1-CZ3 3.62Å; F142-W186 HydrophobicContact CD1-CZ3 3.62Å; F142-W186 HydrophobicContact CE1-CD2 4.04Å; F142-W186 AromaticContact CE1-CE3 3.72Å; F142-W186 HydrophobicContact CE1-CE3 3.72Å; F142-W186 HydrophobicContact CE1-CH2 4.17Å; F142-W186 HydrophobicContact CE1-CZ2 4.44Å; F142-W186 AromaticContact CE1-CZ3 3.8Å; F142-W186 HydrophobicContact CE1-CZ3 3.8Å; F142-W186 HydrophobicContact CG-CH2 4.42Å; F142-P200 HydrophobicContact CD1-CG 4.32Å; F142-P200 HydrophobicContact CE1-CG 3.59Å; F142-P200 HydrophobicContact CE2-CG 4.23Å; F142-P200 HydrophobicContact CZ-CG 3.54Å; F142-G462 VanDerWaalsContact O-CA 3.25Å; F142-G462 WeakPolarHBondContact O-CA 3.48Å
143	N	85.7	Confident	89.3	Confident	84 Å²	84	59.7 Å²	59.7	45%	0.449	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	29.3	-169.4	-154.1	16.9	0	0	0	114.2	D139 D463	D139-N143 PolarHBondContact O-N 2.99Å; N143-D463 HydrophobicContact CB-CB 3.7Å; N143-D463 PolarHBondContact ND2-OD2 3.38Å
144	T	89.3	Confident	89.5	Confident	34 Å²	34	56 Å²	56	21%	0.209	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	172.4	-179.6	-166.5	0	0	0	0	111.7	D139 F142 V146 W186 H202	D139-T144 PolarHBondContact N-O 2.81Å; F142-T144 HydrophobicContact CB-CG2 4.07Å; F142-T144 PolarHBondContact O-N 3.34Å; T144-V146 HydrophobicContact CG2-CG1 3.8Å; T144-W186 HydrophobicContact CG2-CH2 3.93Å; T144-W186 HydrophobicContact CG2-CZ2 4.36Å; T144-H202 HydrophobicContact CG2-CB 4.43Å
145	N	90.9	Very high	89.5	Confident	72 Å²	72	53.1 Å²	53.1	39%	0.385	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	118.9	177.1	-75.4	24.1	0	0	0	110.2	M136 E137 F138	M136-N145 HydrophobicContact CB-CB 3.99Å; M136-N145 HydrophobicContact SD-CB 4.31Å; E137-N145 CarbonylContact O-C 3.58Å; E137-N145 WeakPolarHBondContact O-CA 3.29Å; F138-N145 WeakPolarHBondContact CB-OD1 3.37Å; F138-N145 WeakPolarHBondContact CD2-OD1 3.24Å
146	V	93.3	Very high	89.3	Confident	5 Å²	5	48.4 Å²	48.4	3%	0.03	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	157.5	-174.5	-57.4	0	0	0	0	112.2	M136 E137 D139 F142 T144 R148 W186 P200 A201 H202	M136-V146 WeakPolarHBondContact CA-O 3.4Å; E137-V146 PolarHBondContact N-O 2.89Å; E137-V146 PolarHBondContact O-N 2.93Å; D139-V146 HydrophobicContact CB-CG2 3.58Å; F142-V146 HydrophobicContact CB-CG1 4.02Å; F142-V146 HydrophobicContact CD1-CG1 4.22Å; F142-V146 HydrophobicContact CD2-CG2 4.47Å; F142-V146 HydrophobicContact CG-CG1 4.02Å; T144-V146 HydrophobicContact CG2-CG1 3.8Å; V146-R148 HydrophobicContact CG2-CG 4.34Å; V146-W186 HydrophobicContact CG1-CH2 4.06Å; V146-W186 HydrophobicContact CG1-CZ3 4.18Å; V146-P200 HydrophobicContact CB-CB 4.14Å; V146-P200 HydrophobicContact CB-CG 3.95Å; V146-P200 HydrophobicContact CG1-CG 4.19Å; V146-P200 HydrophobicContact CG2-CG 4.31Å; V146-A201 CarbonylContact C-O 3.38Å; V146-A201 VanDerWaalsContact CA-O 3.3Å; V146-A201 WeakPolarHBondContact CA-O 3.45Å; V146-H202 HydrophobicContact CG1-CB 4.07Å
147	S	94.1	Very high	88.8	Confident	7 Å²	7	51.4 Å²	51.4	5%	0.049	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	102.9	172.4	-161	0	0	0	0	110	M135 T149 P200 A201	M135-S147 WeakPolarHBondContact O-CB 3.3Å; M135-S147 PolarHBondContact O-OG 2.92Å; S147-T149 PolarHBondContact O-N 3.49Å; S147-P200 VanDerWaalsContact O-CB 3.28Å; S147-P200 WeakPolarHBondContact O-CB 3.28Å; S147-A201 PolarHBondContact N-O 2.62Å; S147-A201 PolarHBondContact O-N 2.6Å
148	R	91.6	Very high	88.1	Confident	141 Å²	141	47.1 Å²	47.1	53%	0.532	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	8.2	-176.2	-69	178.8	167.6	-155.3	-0.4	114.7	D139 V146 F199	D139-R148 IonicContact OD1-NH2 2.82Å; D139-R148 PolarHBondContact OD1-NH2 2.81Å; D139-R148 IonicContact OD2-CZ 2.69Å; D139-R148 IonicContact OD2-NE 3.2Å; D139-R148 PolarHBondContact OD2-NE 3.1Å; D139-R148 IonicContact OD2-NH2 2.82Å; D139-R148 PolarHBondContact OD2-NH2 2.92Å; V146-R148 HydrophobicContact CG2-CG 4.34Å; R148-F199 WeakPolarHBondContact O-CZ 3.44Å
149	T	90.6	Very high	88	Confident	103 Å²	103	42.7 Å²	42.7	63%	0.632	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.5	-15.7	-175.8	51.7	0	0	0	0	114.5	S147	S147-T149 PolarHBondContact O-N 3.49Å
150	I	92.5	Very high	88	Confident	42 Å²	42	46 Å²	46	22%	0.215	26%	0.264	C	S	.	.			trans	-138.5	149.4	-177.1	56.5	169	0	0	0	111.3	N171 F199 A201	I150-N171 WeakPolarHBondContact CA-OD1 3.21Å; I150-F199 WeakPolarHBondContact O-CD2 3.44Å; I150-A201 HydrophobicContact CD1-CB 4.46Å; I150-A201 HydrophobicContact CG1-CB 4.03Å; I150-A201 WeakPolarHBondContact O-CB 3.49Å; I150-A201 PolarHBondContact O-N 2.98Å
151	S	94.3	Very high	88.2	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.021	27%	0.271	C	S	.	.			trans	-85.8	168.4	162.5	72.2	0	0	0	0	110.4	G167 N171 V198	S151-G167 PolarHBondContact OG-O 2.92Å; S151-N171 WeakPolarHBondContact CB-OD1 3.08Å; S151-N171 PolarHBondContact N-OD1 3.46Å; S151-N171 PolarHBondContact OG-OD1 3.25Å; S151-V198 CarbonylContact C-O 3.49Å; S151-V198 WeakPolarHBondContact CA-O 3.24Å; S151-V198 WeakPolarHBondContact CB-O 3.47Å
152	C	93.5	Very high	88.4	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	160.5	170.5	72.3	0	0	0	0	111.9	Q126 C128 I131 T197 V198 A201	Q126-C152 CarbonylContact O-C 3.38Å; Q126-C152 VanDerWaalsContact O-CA 3.29Å; Q126-C152 WeakPolarHBondContact O-CA 3.17Å; Q126-C152 WeakPolarHBondContact O-CB 3.43Å; C128-C152 VanDerWaalsContact CA-SG 3.57Å; C128-C152 HydrophobicContact CB-CB 3.83Å; C128-C152 WeakPolarHBondContact CB-SG 3.47Å; C128-C152 WeakPolarHBondContact SG-CB 3.34Å; C128-C152 CovalentContact SG-SG 2.03Å; C128-C152 PolarHBondContact SG-SG 3.32Å; I131-C152 HydrophobicContact CD1-CB 3.58Å; C152-T197 CarbonylContact O-C 3.59Å; C152-T197 WeakPolarHBondContact O-CA 3.36Å; C152-V198 PolarHBondContact N-O 3.35Å; C152-V198 PolarHBondContact O-N 3.48Å; C152-A201 HydrophobicContact CB-CB 3.67Å
153	D	92.7	Very high	88.6	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.011	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	145.2	-172.5	-56.5	-47.5	0	0	0	112.2	I125 Q126 D127 C128 N165 I195 F196 T197	I125-D153 WeakPolarHBondContact CA-OD2 3.36Å; I125-D153 HydrophobicContact CG2-CB 4.07Å; Q126-D153 PolarHBondContact N-OD2 2.95Å; Q126-D153 PolarHBondContact O-N 3.41Å; D127-D153 WeakPolarHBondContact CA-O 3.47Å; C128-D153 PolarHBondContact N-O 2.87Å; C128-D153 PolarHBondContact SG-N 2.69Å; C128-D153 VanDerWaalsContact SG-N 3.45Å; C128-D153 PolarHBondContact SG-O 3.02Å; C128-D153 VanDerWaalsContact SG-O 3.4Å; D153-N165 VanDerWaalsContact CG-ND2 3.35Å; D153-N165 PolarHBondContact OD2-ND2 2.85Å; D153-I195 HydrophobicContact CB-CG2 4.31Å; D153-F196 CarbonylContact C-O 3.57Å; D153-F196 WeakPolarHBondContact CA-O 3.34Å; D153-T197 WeakPolarHBondContact OD1-CA 3.49Å; D153-T197 VanDerWaalsContact OD1-CB 3.29Å; D153-T197 WeakPolarHBondContact OD1-CB 3.27Å; D153-T197 WeakPolarHBondContact OD1-CG2 3.46Å; D153-T197 PolarHBondContact OD1-OG1 2.89Å
154	R	91.1	Very high	89	Confident	27 Å²	27	50.9 Å²	50.9	10%	0.102	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	141	158.8	-68.3	-62.9	-61	138.4	2.1	108.8	D127 C129 F196 F204 G208 Y210	D127-R154 IonicContact OD1-NH1 3.78Å; D127-R154 PolarHBondContact OD1-NH1 2.89Å; C129-R154 PolarHBondContact SG-NH1 3.47Å; R154-F196 HydrophobicContact CB-CB 4.48Å; R154-F196 PolarHBondContact N-O 3.4Å; R154-F196 PolarHBondContact O-N 2.96Å; R154-F204 HydrophobicContact CG-CD1 3.97Å; R154-F204 HydrophobicContact CG-CD2 3.9Å; R154-F204 HydrophobicContact CG-CE1 3.92Å; R154-F204 HydrophobicContact CG-CE2 3.82Å; R154-F204 HydrophobicContact CG-CG 3.95Å; R154-F204 HydrophobicContact CG-CZ 3.84Å; R154-G208 PolarHBondContact NH2-O 2.82Å; R154-Y210 HydrophobicContact CB-CD1 3.66Å; R154-Y210 HydrophobicContact CB-CE1 4.32Å; R154-Y210 HydrophobicContact CB-CG 4.14Å; R154-Y210 HydrophobicContact CG-CD1 4.32Å
155	L	88.7	Confident	89.2	Confident	55 Å²	55	49.5 Å²	49.5	29%	0.288	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.6	-174.7	-53.5	179.6	0	0	0	111.1	I125 V159 I195	I125-L155 HydrophobicContact CD1-CD1 4.13Å; I125-L155 HydrophobicContact CD1-CD2 4.06Å; I125-L155 HydrophobicContact CG1-CD2 4.43Å; I125-L155 HydrophobicContact CG2-CD1 4.28Å; I125-L155 HydrophobicContact CG2-CD2 4.19Å; L155-V159 HydrophobicContact CB-CG2 4.32Å; L155-I195 HydrophobicContact CD2-CB 4.47Å; L155-I195 HydrophobicContact CD2-CG1 3.96Å; L155-I195 HydrophobicContact CD2-CG2 4.25Å
156	S	86.6	Confident	89.2	Confident	8 Å²	8	46.1 Å²	46.1	6%	0.056	24%	0.24	C	C	.	.			trans	-70.9	160.7	161.7	-177.6	0	0	0	0	111.2	T158 V159 G194 E211 R213 T434	S156-T158 PolarHBondContact O-N 3.32Å; S156-T158 VanDerWaalsContact O-N 3.09Å; S156-T158 PolarHBondContact OG-OG1 3.3Å; S156-V159 WeakPolarHBondContact O-CG2 3.34Å; S156-G194 WeakPolarHBondContact CB-O 3.41Å; S156-G194 PolarHBondContact N-O 3.5Å; S156-E211 VanDerWaalsContact CB-OE2 3.23Å; S156-E211 WeakPolarHBondContact CB-OE2 3.47Å; S156-E211 PolarHBondContact OG-OE2 3.03Å; S156-R213 PolarHBondContact OG-NH2 2.87Å; S156-R213 VanDerWaalsContact OG-NH2 3.13Å; S156-T434 WeakPolarHBondContact OG-CG2 3.43Å
157	T	79.7	Confident	88.8	Confident	83 Å²	83	45.9 Å²	45.9	51%	0.509	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-9.5	177.9	53.9	0	0	0	0	114.1
158	T	76.8	Confident	88.3	Confident	71 Å²	71	51.5 Å²	51.5	44%	0.436	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	7.2	-169.1	48.9	0	0	0	0	114.3	S156 R213 T434	S156-T158 PolarHBondContact O-N 3.32Å; S156-T158 VanDerWaalsContact O-N 3.09Å; S156-T158 PolarHBondContact OG-OG1 3.3Å; T158-R213 PolarHBondContact OG1-NH2 2.88Å; T158-R213 VanDerWaalsContact OG1-NH2 3.14Å; T158-T434 HydrophobicContact CG2-CG2 4.2Å
159	V	85.1	Confident	88	Confident	34 Å²	34	48.6 Å²	48.6	21%	0.206	25%	0.254	C	S	.	.			trans	-69.6	133.9	-175.2	177.2	0	0	0	0	112.2	L155 S156 A163 G194 I195	L155-V159 HydrophobicContact CB-CG2 4.32Å; S156-V159 WeakPolarHBondContact O-CG2 3.34Å; V159-A163 HydrophobicContact CG1-CB 3.92Å; V159-G194 VanDerWaalsContact CG2-C 3.47Å; V159-G194 WeakPolarHBondContact CG2-O 3.44Å; V159-I195 HydrophobicContact CG1-CD1 4.05Å; V159-I195 HydrophobicContact CG1-CG1 3.72Å; V159-I195 HydrophobicContact CG2-CG1 4.23Å
160	N	85.5	Confident	87.9	Confident	84 Å²	84	43.9 Å²	43.9	45%	0.449	23%	0.225	S	C	.	.			trans	-77.1	138.5	173.6	-178.6	-1.4	0	0	0	111.3	R162 A163	N160-R162 PolarHBondContact O-N 2.85Å; N160-R162 PolarHBondContact OD1-N 2.7Å; N160-R162 VanDerWaalsContact OD1-N 3.09Å; N160-A163 HydrophobicContact CB-CB 4.31Å; N160-A163 WeakPolarHBondContact O-CB 3.29Å; N160-A163 PolarHBondContact O-N 3.43Å
161	S	82.6	Confident	87.9	Confident	106 Å²	106	43.2 Å²	43.2	74%	0.741	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-20.7	169.4	62.9	0	0	0	0	116
162	R	86.5	Confident	87.8	Confident	187 Å²	187	46.8 Å²	46.8	71%	0.706	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.6	10.6	177.6	-62.8	-172.4	-179.4	-175	0.1	114	H117 N160	H117-R162 PolarHBondContact CE1-O 3.31Å; N160-R162 PolarHBondContact O-N 2.85Å; N160-R162 PolarHBondContact OD1-N 2.7Å; N160-R162 VanDerWaalsContact OD1-N 3.09Å
163	A	90.3	Very high	87.8	Confident	3 Å²	3	47.5 Å²	47.5	3%	0.025	25%	0.251	C	S	.	.			trans	-60.3	147.7	-178.2	0	0	0	0	0	112.1	V159 N160 N165 E193 I195	V159-A163 HydrophobicContact CG1-CB 3.92Å; N160-A163 HydrophobicContact CB-CB 4.31Å; N160-A163 WeakPolarHBondContact O-CB 3.29Å; N160-A163 PolarHBondContact O-N 3.43Å; A163-N165 PolarHBondContact O-N 2.84Å; A163-E193 WeakPolarHBondContact CA-OE2 3.29Å; A163-E193 HydrophobicContact CB-CB 3.98Å; A163-E193 HydrophobicContact CB-CG 4.41Å; A163-E193 WeakPolarHBondContact CB-OE2 3.36Å; A163-I195 HydrophobicContact CB-CD1 3.85Å; A163-I195 HydrophobicContact CB-CG1 4.47Å
164	F	93.3	Very high	87.9	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.009	25%	0.252	C	S	.	.			trans	-70.9	115.8	-178.1	168.2	-121.2	0	0	0	111.6	V110 Y114 H117 L122 P166 F189 E193 L480	V110-F164 HydrophobicContact CG1-CE1 3.92Å; V110-F164 HydrophobicContact CG1-CZ 4.28Å; V110-F164 WeakPolarHBondContact O-CZ 3.36Å; Y114-F164 HydrophobicContact CD2-CB 4.18Å; Y114-F164 AromaticContact CD2-CD1 3.71Å; Y114-F164 HydrophobicContact CD2-CD1 3.71Å; Y114-F164 AromaticContact CD2-CD2 3.9Å; Y114-F164 HydrophobicContact CD2-CD2 3.9Å; Y114-F164 AromaticContact CD2-CE1 3.96Å; Y114-F164 HydrophobicContact CD2-CE1 3.96Å; Y114-F164 HydrophobicContact CD2-CE2 4.15Å; Y114-F164 AromaticContact CD2-CG 3.67Å; Y114-F164 HydrophobicContact CD2-CG 3.67Å; Y114-F164 HydrophobicContact CD2-CZ 4.17Å; Y114-F164 HydrophobicContact CE2-CB 4.18Å; Y114-F164 HydrophobicContact CE2-CD1 4.37Å; Y114-F164 HydrophobicContact CE2-CG 4.18Å; H117-F164 HydrophobicContact CB-CD2 3.76Å; H117-F164 HydrophobicContact CB-CE2 4.09Å; H117-F164 AromaticContact CG-CD2 3.79Å; H117-F164 AromaticContact ND1-CD2 3.68Å; L122-F164 HydrophobicContact CD1-CE2 4.38Å; F164-P166 HydrophobicContact CE1-CB 4.46Å; F164-P166 HydrophobicContact CE1-CG 3.95Å; F164-P166 HydrophobicContact CE2-CB 3.92Å; F164-P166 HydrophobicContact CE2-CG 4.21Å; F164-P166 HydrophobicContact CZ-CB 3.7Å; F164-P166 HydrophobicContact CZ-CG 3.69Å; F164-F189 HydrophobicContact CD1-CE1 4.2Å; F164-F189 HydrophobicContact CD1-CZ 4.05Å; F164-F189 HydrophobicContact CE1-CE1 4.16Å; F164-F189 AromaticContact CE1-CZ 3.93Å; F164-F189 HydrophobicContact CE1-CZ 3.93Å; F164-E193 PolarHBondContact N-OE2 3.32Å; F164-L480 HydrophobicContact CE1-CD1 4.42Å
165	N	92.9	Very high	88.1	Confident	5 Å²	5	47.9 Å²	47.9	3%	0.027	26%	0.259	C	S	.	.			trans	-125.3	103.3	173.6	-171.7	-13.4	0	0	0	111.1	L122 A124 D153 A163 G167 I195	L122-N165 PolarHBondContact O-N 3.43Å; A124-N165 PolarHBondContact O-ND2 2.94Å; D153-N165 VanDerWaalsContact CG-ND2 3.35Å; D153-N165 PolarHBondContact OD2-ND2 2.85Å; A163-N165 PolarHBondContact O-N 2.84Å; N165-G167 PolarHBondContact OD1-N 3.26Å; N165-I195 HydrophobicContact CB-CD1 3.95Å
166	P	91.8	Very high	88.4	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.265	C	S	.	.			trans	-87.1	1	175.4	35.2	-35.3	0	0	0	114	V110 F164 R168 D169 L170 F189	V110-P166 HydrophobicContact CG2-CG 4.31Å; F164-P166 HydrophobicContact CE1-CB 4.46Å; F164-P166 HydrophobicContact CE1-CG 3.95Å; F164-P166 HydrophobicContact CE2-CB 3.92Å; F164-P166 HydrophobicContact CE2-CG 4.21Å; F164-P166 HydrophobicContact CZ-CB 3.7Å; F164-P166 HydrophobicContact CZ-CG 3.69Å; P166-R168 VanDerWaalsContact C-N 3.32Å; P166-R168 PolarHBondContact O-N 3.38Å; P166-R168 VanDerWaalsContact O-N 3.15Å; P166-D169 PolarHBondContact O-N 2.89Å; P166-L170 HydrophobicContact CB-CD1 4.31Å; P166-L170 HydrophobicContact CB-CG 4.35Å; P166-L170 HydrophobicContact CG-CD1 3.99Å; P166-L170 PolarHBondContact O-N 3.27Å; P166-L170 VanDerWaalsContact O-N 3.13Å; P166-F189 HydrophobicContact CG-CD1 3.64Å; P166-F189 HydrophobicContact CG-CE1 3.8Å; P166-F189 HydrophobicContact CG-CG 4.31Å
167	G	84.1	Confident	88.8	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-54.9	-41.2	-164	0	0	0	0	0	115.3	S151 N165 D169 L170 N171	S151-G167 PolarHBondContact OG-O 2.92Å; N165-G167 PolarHBondContact OD1-N 3.26Å; G167-D169 VanDerWaalsContact C-N 3.3Å; G167-D169 PolarHBondContact O-N 3.09Å; G167-L170 PolarHBondContact O-N 2.92Å; G167-N171 PolarHBondContact O-N 3.12Å
168	R	83.9	Confident	89.4	Confident	126 Å²	126	46.3 Å²	46.3	48%	0.475	25%	0.247	S	C	.	.	H	α-helix	trans	-63.9	-34.2	178.4	-71.4	-175.4	170.7	-173.9	-3.1	113.5	P166 N171	P166-R168 VanDerWaalsContact C-N 3.32Å; P166-R168 PolarHBondContact O-N 3.38Å; P166-R168 VanDerWaalsContact O-N 3.15Å; R168-N171 WeakPolarHBondContact CA-ND2 3.35Å; R168-N171 WeakPolarHBondContact O-CB 3.49Å; R168-N171 PolarHBondContact O-ND2 2.87Å; R168-N171 VanDerWaalsContact O-ND2 3.12Å
169	D	84.9	Confident	90.1	Very high	80 Å²	80	51.7 Å²	51.7	43%	0.428	27%	0.265	S	S	.	.	H	α-helix	trans	-81.4	-24.2	-179.7	-56.8	-38.9	0	0	0	111.8	P166 G167	P166-D169 PolarHBondContact O-N 2.89Å; G167-D169 VanDerWaalsContact C-N 3.3Å; G167-D169 PolarHBondContact O-N 3.09Å
170	L	89.4	Confident	90.4	Very high	4 Å²	4	54 Å²	54	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-72.8	-25.4	173.6	-66.8	172.3	0	0	0	113.2	V109 V110 P166 G167 S172 V173 L174 F189	V109-L170 HydrophobicContact CB-CD2 4.01Å; V109-L170 HydrophobicContact CG1-CD2 3.64Å; V110-L170 HydrophobicContact CG2-CD1 4.02Å; V110-L170 HydrophobicContact CG2-CD2 4Å; P166-L170 HydrophobicContact CB-CD1 4.31Å; P166-L170 HydrophobicContact CB-CG 4.35Å; P166-L170 HydrophobicContact CG-CD1 3.99Å; P166-L170 PolarHBondContact O-N 3.27Å; P166-L170 VanDerWaalsContact O-N 3.13Å; G167-L170 PolarHBondContact O-N 2.92Å; L170-S172 VanDerWaalsContact C-N 3.32Å; L170-S172 PolarHBondContact O-N 2.85Å; L170-S172 VanDerWaalsContact O-N 3.1Å; L170-V173 WeakPolarHBondContact O-CB 3.28Å; L170-V173 PolarHBondContact O-N 3.3Å; L170-L174 HydrophobicContact CB-CD1 3.74Å; L170-L174 HydrophobicContact CB-CG 4Å; L170-L174 WeakPolarHBondContact O-CG 3.4Å; L170-L174 PolarHBondContact O-N 2.84Å; L170-F189 HydrophobicContact CD1-CB 4.18Å
171	N	92.6	Very high	90.7	Very high	28 Å²	28	51.2 Å²	51.2	15%	0.15	27%	0.267	C	S	.	.	H	α-helix	trans	-44.8	-47.3	-172	-80	-32.8	0	0	0	115.4	I150 S151 G167 R168 A175	I150-N171 WeakPolarHBondContact CA-OD1 3.21Å; S151-N171 WeakPolarHBondContact CB-OD1 3.08Å; S151-N171 PolarHBondContact N-OD1 3.46Å; S151-N171 PolarHBondContact OG-OD1 3.25Å; G167-N171 PolarHBondContact O-N 3.12Å; R168-N171 WeakPolarHBondContact CA-ND2 3.35Å; R168-N171 WeakPolarHBondContact O-CB 3.49Å; R168-N171 PolarHBondContact O-ND2 2.87Å; R168-N171 VanDerWaalsContact O-ND2 3.12Å; N171-A175 VanDerWaalsContact O-CB 3.27Å; N171-A175 WeakPolarHBondContact O-CB 3.25Å; N171-A175 PolarHBondContact O-N 3.15Å
172	S	92.1	Very high	90.9	Very high	78 Å²	78	49.3 Å²	49.3	55%	0.545	25%	0.253	S	S	.	.	H	α-helix	trans	-66.3	-42.1	-179.5	53.2	0	0	0	0	112.2	L170 A175 D176	L170-S172 VanDerWaalsContact C-N 3.32Å; L170-S172 PolarHBondContact O-N 2.85Å; L170-S172 VanDerWaalsContact O-N 3.1Å; S172-A175 PolarHBondContact O-N 2.73Å; S172-D176 PolarHBondContact O-N 3.28Å
173	V	93.7	Very high	91	Very high	15 Å²	15	40.7 Å²	40.7	9%	0.091	22%	0.222	C	C	.	.	H	α-helix	trans	-67.2	-45	179.2	179.3	0	0	0	0	110.4	R105 V109 L170 D176 N177	R105-V173 HydrophobicContact CG-CG1 4Å; V109-V173 HydrophobicContact CG2-CG1 4.48Å; V109-V173 HydrophobicContact CG2-CG2 4.2Å; L170-V173 WeakPolarHBondContact O-CB 3.28Å; L170-V173 PolarHBondContact O-N 3.3Å; V173-D176 WeakPolarHBondContact O-CB 3.48Å; V173-D176 PolarHBondContact O-N 2.58Å; V173-N177 WeakPolarHBondContact O-CB 3.41Å; V173-N177 PolarHBondContact O-N 2.73Å; V173-N177 PolarHBondContact O-ND2 3.15Å; V173-N177 VanDerWaalsContact O-ND2 3.16Å; V173-N177 PolarHBondContact O-OD1 3.1Å
174	L	95.4	Very high	91.2	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-66.4	-37.7	178.6	-58.2	178.2	0	0	0	111.7	N106 L170 N177 L178 Q187 F199	N106-L174 WeakPolarHBondContact ND2-CD2 3.19Å; L170-L174 HydrophobicContact CB-CD1 3.74Å; L170-L174 HydrophobicContact CB-CG 4Å; L170-L174 WeakPolarHBondContact O-CG 3.4Å; L170-L174 PolarHBondContact O-N 2.84Å; L174-N177 PolarHBondContact O-N 3.09Å; L174-L178 WeakPolarHBondContact O-CB 3.34Å; L174-L178 PolarHBondContact O-N 3.35Å; L174-Q187 HydrophobicContact CD2-CB 3.87Å; L174-Q187 PolarHBondContact O-NE2 3.03Å; L174-F199 HydrophobicContact CB-CB 4Å; L174-F199 HydrophobicContact CB-CD1 3.59Å; L174-F199 HydrophobicContact CB-CD2 3.97Å; L174-F199 HydrophobicContact CB-CE1 4.02Å; L174-F199 HydrophobicContact CB-CE2 4.37Å; L174-F199 HydrophobicContact CB-CG 3.57Å; L174-F199 HydrophobicContact CB-CZ 4.4Å; L174-F199 HydrophobicContact CD1-CB 3.54Å; L174-F199 HydrophobicContact CD1-CD2 4.4Å; L174-F199 HydrophobicContact CD1-CG 4.01Å; L174-F199 HydrophobicContact CG-CB 4.35Å; L174-F199 HydrophobicContact CG-CG 4.42Å; L174-F199 WeakPolarHBondContact O-CE1 3.41Å
175	A	94.6	Very high	91.1	Very high	31 Å²	31	41.2 Å²	41.2	26%	0.256	23%	0.225	S	C	.	.	H	α-helix	trans	-65.5	-45.5	173.3	0	0	0	0	0	112.7	N171 S172 N177 L178 K179 F199	N171-A175 VanDerWaalsContact O-CB 3.27Å; N171-A175 WeakPolarHBondContact O-CB 3.25Å; N171-A175 PolarHBondContact O-N 3.15Å; S172-A175 PolarHBondContact O-N 2.73Å; A175-N177 VanDerWaalsContact C-N 3.32Å; A175-N177 PolarHBondContact O-N 3.14Å; A175-L178 PolarHBondContact O-N 3.29Å; A175-K179 VanDerWaalsContact O-CB 3.32Å; A175-K179 WeakPolarHBondContact O-CB 3.37Å; A175-K179 PolarHBondContact O-N 2.89Å; A175-F199 HydrophobicContact CB-CE1 4.47Å; A175-F199 HydrophobicContact CB-CE2 4.43Å; A175-F199 HydrophobicContact CB-CZ 3.75Å
176	D	94.5	Very high	91.3	Very high	77 Å²	77	41 Å²	41	41%	0.412	22%	0.223	S	C	.	.	H	α-helix	trans	-56.1	-46.6	172.9	-85.8	-10.4	0	0	0	111.4	R105 S172 V173 K179 S180	R105-D176 IonicContact CZ-OD2 3.56Å; R105-D176 VanDerWaalsContact NH1-CB 3.34Å; R105-D176 IonicContact NH1-OD2 3.48Å; R105-D176 IonicContact NH2-OD2 3Å; R105-D176 PolarHBondContact NH2-OD2 2.8Å; S172-D176 PolarHBondContact O-N 3.28Å; V173-D176 WeakPolarHBondContact O-CB 3.48Å; V173-D176 PolarHBondContact O-N 2.58Å; D176-K179 PolarHBondContact O-N 2.71Å; D176-S180 VanDerWaalsContact O-CB 3.29Å; D176-S180 WeakPolarHBondContact O-CB 3.48Å; D176-S180 PolarHBondContact O-N 3.31Å; D176-S180 PolarHBondContact O-OG 2.91Å
177	N	95.1	Very high	91.5	Very high	4 Å²	4	41 Å²	41	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-62.5	-49	-178.2	-66.5	-21.1	0	0	0	111.3	V102 R105 N106 V173 L174 A175 K179 S180 N181 I184 Q187	V102-N177 HydrophobicContact CG1-CB 3.96Å; V102-N177 HydrophobicContact CG2-CB 4.31Å; R105-N177 PolarHBondContact NH1-OD1 2.71Å; N106-N177 PolarHBondContact OD1-ND2 2.93Å; V173-N177 WeakPolarHBondContact O-CB 3.41Å; V173-N177 PolarHBondContact O-N 2.73Å; V173-N177 PolarHBondContact O-ND2 3.15Å; V173-N177 VanDerWaalsContact O-ND2 3.16Å; V173-N177 PolarHBondContact O-OD1 3.1Å; L174-N177 PolarHBondContact O-N 3.09Å; A175-N177 VanDerWaalsContact C-N 3.32Å; A175-N177 PolarHBondContact O-N 3.14Å; N177-K179 VanDerWaalsContact C-N 3.3Å; N177-K179 PolarHBondContact O-N 3.47Å; N177-S180 PolarHBondContact O-N 2.92Å; N177-S180 VanDerWaalsContact O-N 3.16Å; N177-N181 WeakPolarHBondContact O-CB 3.47Å; N177-N181 PolarHBondContact O-N 2.97Å; N177-N181 PolarHBondContact O-ND2 3.1Å; N177-I184 HydrophobicContact CB-CD1 4.43Å; N177-Q187 PolarHBondContact ND2-OE1 3.04Å
178	L	92.9	Very high	92.1	Very high	32 Å²	32	41.4 Å²	41.4	17%	0.168	23%	0.225	C	C	.	.	H	α-helix	trans	-61.6	-38.4	178.9	179.5	63.2	0	0	0	111.6	F142 L174 A175 S180 I184 F199 P200	F142-L178 HydrophobicContact CZ-CD1 4.14Å; F142-L178 HydrophobicContact CZ-CD2 4.48Å; L174-L178 WeakPolarHBondContact O-CB 3.34Å; L174-L178 PolarHBondContact O-N 3.35Å; A175-L178 PolarHBondContact O-N 3.29Å; L178-S180 VanDerWaalsContact C-N 3.34Å; L178-I184 HydrophobicContact CD1-CB 4.08Å; L178-I184 HydrophobicContact CD1-CG2 3.85Å; L178-F199 HydrophobicContact CB-CE1 4.15Å; L178-F199 HydrophobicContact CD2-CD1 4.5Å; L178-F199 HydrophobicContact CD2-CE1 3.77Å; L178-P200 HydrophobicContact CD2-CG 4.46Å
179	K	91.4	Very high	92.7	Very high	184 Å²	184	35.5 Å²	35.5	80%	0.8	20%	0.203	S	C	*	.	H	α-helix	trans	-70.1	-29	176.6	-176.6	178.9	175.8	-174.7	0	113.3	A175 D176 N177	A175-K179 VanDerWaalsContact O-CB 3.32Å; A175-K179 WeakPolarHBondContact O-CB 3.37Å; A175-K179 PolarHBondContact O-N 2.89Å; D176-K179 PolarHBondContact O-N 2.71Å; N177-K179 VanDerWaalsContact C-N 3.3Å; N177-K179 PolarHBondContact O-N 3.47Å
180	S	91.4	Very high	93.2	Very high	84 Å²	84	31.8 Å²	31.8	59%	0.587	18%	0.183	S	C	*	.	H	α-helix	trans	-95.9	-19.5	-172.3	-53.7	0	0	0	0	114.1	D176 N177 L178	D176-S180 VanDerWaalsContact O-CB 3.29Å; D176-S180 WeakPolarHBondContact O-CB 3.48Å; D176-S180 PolarHBondContact O-N 3.31Å; D176-S180 PolarHBondContact O-OG 2.91Å; N177-S180 PolarHBondContact O-N 2.92Å; N177-S180 VanDerWaalsContact O-N 3.16Å; L178-S180 VanDerWaalsContact C-N 3.34Å
181	N	91.6	Very high	93.4	Very high	24 Å²	24	31.7 Å²	31.7	13%	0.128	18%	0.182	C	C	.	.	S	Bend	trans	-124.5	96.2	-171.6	-62.5	-81	0	0	0	111.1	V102 N177 G183 I184	V102-N181 WeakPolarHBondContact CG2-ND2 3.45Å; N177-N181 WeakPolarHBondContact O-CB 3.47Å; N177-N181 PolarHBondContact O-N 2.97Å; N177-N181 PolarHBondContact O-ND2 3.1Å; N181-G183 PolarHBondContact O-N 3.39Å; N181-I184 HydrophobicContact CB-CD1 3.68Å; N181-I184 HydrophobicContact CB-CG1 3.94Å; N181-I184 PolarHBondContact O-N 3.11Å
182	P	86.4	Confident	93.4	Very high	66 Å²	66	31.8 Å²	31.8	43%	0.429	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	132.7	177.1	28.7	-34.3	0	0	0	110.1	Y99 Y491	Y99-P182 PolarHBondContact OH-O 3.2Å; P182-Y491 HydrophobicContact CG-CE2 4.39Å; P182-Y491 VanDerWaalsContact O-CE1 3.24Å; P182-Y491 WeakPolarHBondContact O-CE1 3.45Å
183	G	88.9	Confident	93.3	Very high	7 Å²	7	31.5 Å²	31.5	7%	0.072	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.3	-15.2	-177.4	0	0	0	0	0	114.5	N181 K185 V487 N488	N181-G183 PolarHBondContact O-N 3.39Å; G183-K185 PolarHBondContact O-N 3.02Å; G183-V487 WeakPolarHBondContact O-CA 3.32Å; G183-V487 WeakPolarHBondContact O-CG1 3.28Å; G183-N488 PolarHBondContact O-N 2.87Å
184	I	93.6	Very high	93.1	Very high	11 Å²	11	31 Å²	31	6%	0.056	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	128.8	166.3	-66.8	-172.9	0	0	0	109.3	Y99 V102 N177 L178 N181 Q187 V485	Y99-I184 HydrophobicContact CD1-CG1 4.12Å; Y99-I184 HydrophobicContact CE1-CD1 4.49Å; Y99-I184 HydrophobicContact CE1-CG1 3.61Å; V102-I184 HydrophobicContact CG1-CD1 4.2Å; V102-I184 HydrophobicContact CG2-CD1 4.39Å; N177-I184 HydrophobicContact CB-CD1 4.43Å; L178-I184 HydrophobicContact CD1-CB 4.08Å; L178-I184 HydrophobicContact CD1-CG2 3.85Å; N181-I184 HydrophobicContact CB-CD1 3.68Å; N181-I184 HydrophobicContact CB-CG1 3.94Å; N181-I184 PolarHBondContact O-N 3.11Å; I184-Q187 HydrophobicContact CG2-CG 3.86Å; I184-V485 HydrophobicContact CD1-CG1 4.12Å; I184-V485 HydrophobicContact CG1-CG1 4.04Å; I184-V485 HydrophobicContact CG2-CG1 4.34Å
185	K	93	Very high	93	Very high	5 Å²	5	30.9 Å²	30.9	2%	0.022	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-94.8	160.5	-79.1	-86	-156.2	139.3	0	107.7	S141 F142 G183 D459 D463 I466 D486 N488	S141-K185 WeakPolarHBondContact O-CD 3.47Å; S141-K185 WeakPolarHBondContact O-CE 3.05Å; F142-K185 HydrophobicContact CD1-CD 4.32Å; F142-K185 WeakPolarHBondContact CE1-O 3.4Å; F142-K185 WeakPolarHBondContact CZ-O 3.34Å; G183-K185 PolarHBondContact O-N 3.02Å; K185-D459 IonicContact NZ-OD2 2.64Å; K185-D459 PolarHBondContact NZ-OD2 3.19Å; K185-D463 PolarHBondContact NZ-O 3.23Å; K185-I466 HydrophobicContact CB-CG2 4.29Å; K185-I466 HydrophobicContact CG-CG2 3.86Å; K185-D486 HydrophobicContact CB-CB 4.26Å; K185-D486 PolarHBondContact N-O 3.21Å; K185-N488 HydrophobicContact CG-CB 4.41Å
186	W	95.3	Very high	93	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	152.4	-174.6	-48.5	112	0	0	0	111.6	F142 T144 V146 V198 P200 H202 D459 M461 V485 D486	F142-W186 HydrophobicContact CD1-CD2 4.12Å; F142-W186 AromaticContact CD1-CE2 3.99Å; F142-W186 AromaticContact CD1-CE3 3.92Å; F142-W186 HydrophobicContact CD1-CE3 3.92Å; F142-W186 AromaticContact CD1-CH2 3.52Å; F142-W186 HydrophobicContact CD1-CH2 3.52Å; F142-W186 AromaticContact CD1-CZ2 3.71Å; F142-W186 HydrophobicContact CD1-CZ2 3.71Å; F142-W186 AromaticContact CD1-CZ3 3.62Å; F142-W186 HydrophobicContact CD1-CZ3 3.62Å; F142-W186 HydrophobicContact CE1-CD2 4.04Å; F142-W186 AromaticContact CE1-CE3 3.72Å; F142-W186 HydrophobicContact CE1-CE3 3.72Å; F142-W186 HydrophobicContact CE1-CH2 4.17Å; F142-W186 HydrophobicContact CE1-CZ2 4.44Å; F142-W186 AromaticContact CE1-CZ3 3.8Å; F142-W186 HydrophobicContact CE1-CZ3 3.8Å; F142-W186 HydrophobicContact CG-CH2 4.42Å; T144-W186 HydrophobicContact CG2-CH2 3.93Å; T144-W186 HydrophobicContact CG2-CZ2 4.36Å; V146-W186 HydrophobicContact CG1-CH2 4.06Å; V146-W186 HydrophobicContact CG1-CZ3 4.18Å; W186-V198 HydrophobicContact CB-CG2 4.13Å; W186-V198 HydrophobicContact CE3-CG2 4.43Å; W186-P200 HydrophobicContact CE3-CG 4.35Å; W186-P200 HydrophobicContact CZ3-CG 4.08Å; W186-P200 WeakPolarHBondContact CZ3-O 3.49Å; W186-H202 HydrophobicContact CH2-CB 3.92Å; W186-H202 AromaticContact CH2-CG 3.73Å; W186-H202 AromaticContact CH2-ND1 3.69Å; W186-H202 HydrophobicContact CZ3-CB 4.05Å; W186-H202 AromaticContact CZ3-CG 4Å; W186-H202 AromaticContact CZ3-ND1 3.65Å; W186-D459 PolarHBondContact NE1-OD1 3.45Å; W186-D459 PolarHBondContact NE1-OD2 3.29Å; W186-M461 HydrophobicContact CB-CE 4.15Å; W186-M461 HydrophobicContact CD2-CE 3.3Å; W186-M461 HydrophobicContact CE3-CE 3.6Å; W186-M461 HydrophobicContact CG-CE 3.53Å; W186-M461 HydrophobicContact CH2-CB 4.41Å; W186-M461 HydrophobicContact CH2-CE 4.37Å; W186-M461 HydrophobicContact CZ2-CB 3.64Å; W186-M461 HydrophobicContact CZ2-CE 4.13Å; W186-M461 HydrophobicContact CZ3-CE 4.13Å; W186-V485 CarbonylContact O-C 3.53Å; W186-V485 WeakPolarHBondContact O-CA 3.12Å; W186-D486 HydrophobicContact CB-CB 4.22Å; W186-D486 PolarHBondContact O-N 3.41Å
187	Q	96.8	Very high	93	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.6	166	-61.5	172.2	78.8	0	0	108	N106 L174 N177 I184 V198 F199 G484 V485	N106-Q187 PolarHBondContact ND2-OE1 3.15Å; L174-Q187 HydrophobicContact CD2-CB 3.87Å; L174-Q187 PolarHBondContact O-NE2 3.03Å; N177-Q187 PolarHBondContact ND2-OE1 3.04Å; I184-Q187 HydrophobicContact CG2-CG 3.86Å; Q187-V198 WeakPolarHBondContact O-CA 3.48Å; Q187-F199 PolarHBondContact N-O 2.85Å; Q187-F199 PolarHBondContact O-N 2.83Å; Q187-G484 WeakPolarHBondContact CA-O 3.43Å; Q187-V485 HydrophobicContact CG-CG1 4.27Å; Q187-V485 HydrophobicContact CG-CG2 4.24Å
188	Y	96.1	Very high	93	Very high	9 Å²	9	25.8 Å²	25.8	4%	0.035	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	157.7	-175.8	54	-98.9	0	0	0	114.3	F196 T197 H212 T468 I482 V483 G484 D486	Y188-F196 HydrophobicContact CD1-CE2 4.29Å; Y188-F196 HydrophobicContact CD1-CZ 4.1Å; Y188-F196 AromaticContact CD2-CE2 3.64Å; Y188-F196 HydrophobicContact CD2-CE2 3.64Å; Y188-F196 HydrophobicContact CD2-CZ 4.26Å; Y188-F196 HydrophobicContact CE2-CE2 4.19Å; Y188-F196 AromaticContact CG-CE2 3.67Å; Y188-F196 HydrophobicContact CG-CE2 3.67Å; Y188-F196 AromaticContact CG-CZ 3.83Å; Y188-F196 HydrophobicContact CG-CZ 3.83Å; Y188-T197 CarbonylContact C-O 3.55Å; Y188-T197 WeakPolarHBondContact CA-O 3.38Å; Y188-T197 WeakPolarHBondContact CB-O 3.21Å; Y188-H212 AromaticContact CE2-CE1 3.74Å; Y188-T468 VanDerWaalsContact OH-CG2 3.29Å; Y188-T468 WeakPolarHBondContact OH-CG2 3.46Å; Y188-I482 HydrophobicContact CE2-CD1 4.34Å; Y188-V483 WeakPolarHBondContact O-CA 3.25Å; Y188-G484 PolarHBondContact N-O 3.34Å; Y188-G484 PolarHBondContact O-N 3.09Å; Y188-D486 WeakPolarHBondContact CE1-OD2 3.22Å
189	F	96.8	Very high	93.1	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.009	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.7	162.5	169.6	-112.6	0	0	0	108.4	V110 F164 P166 L170 T197 I482 V483	V110-F189 HydrophobicContact CG1-CD2 3.91Å; V110-F189 HydrophobicContact CG1-CE2 3.59Å; V110-F189 HydrophobicContact CG1-CZ 4.06Å; V110-F189 HydrophobicContact CG2-CD2 3.99Å; V110-F189 HydrophobicContact CG2-CG 4.24Å; F164-F189 HydrophobicContact CD1-CE1 4.2Å; F164-F189 HydrophobicContact CD1-CZ 4.05Å; F164-F189 HydrophobicContact CE1-CE1 4.16Å; F164-F189 AromaticContact CE1-CZ 3.93Å; F164-F189 HydrophobicContact CE1-CZ 3.93Å; P166-F189 HydrophobicContact CG-CD1 3.64Å; P166-F189 HydrophobicContact CG-CE1 3.8Å; P166-F189 HydrophobicContact CG-CG 4.31Å; L170-F189 HydrophobicContact CD1-CB 4.18Å; F189-T197 PolarHBondContact N-O 3.31Å; F189-T197 PolarHBondContact O-N 3.14Å; F189-I482 WeakPolarHBondContact CA-O 3.43Å; F189-I482 VanDerWaalsContact CD2-O 3.29Å; F189-I482 WeakPolarHBondContact CD2-O 3.26Å; F189-V483 HydrophobicContact CB-CG1 4.38Å; F189-V483 HydrophobicContact CD2-CG1 4.07Å
190	S	95.5	Very high	93.3	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.007	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	105.6	177	-177.4	0	0	0	0	108.3	H212 Y218 G481 I482	S190-H212 VanDerWaalsContact CB-ND1 3.34Å; S190-H212 WeakPolarHBondContact CB-ND1 3.29Å; S190-H212 PolarHBondContact OG-ND1 3.45Å; S190-Y218 WeakPolarHBondContact O-CE2 3.35Å; S190-Y218 WeakPolarHBondContact OG-CD2 3.21Å; S190-Y218 VanDerWaalsContact OG-CE2 3.29Å; S190-Y218 WeakPolarHBondContact OG-CE2 3.46Å; S190-G481 CarbonylContact O-C 3.52Å; S190-G481 WeakPolarHBondContact O-CA 3.43Å; S190-I482 PolarHBondContact N-O 2.85Å; S190-I482 PolarHBondContact O-N 3.48Å
191	S	94.3	Very high	93.4	Very high	2 Å²	2	11.5 Å²	11.5	1%	0.014	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	141.7	178.8	173.9	0	0	0	0	111.8	E193 G194 I195 L480	S191-E193 PolarHBondContact O-N 2.86Å; S191-E193 WeakPolarHBondContact OG-CB 3.49Å; S191-E193 PolarHBondContact OG-N 2.67Å; S191-E193 VanDerWaalsContact OG-N 3.11Å; S191-G194 PolarHBondContact O-N 3.38Å; S191-I195 PolarHBondContact N-O 3.27Å; S191-L480 WeakPolarHBondContact CA-O 3.44Å
192	E	91.6	Very high	93.4	Very high	30 Å²	30	10.6 Å²	10.6	14%	0.14	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.3	172.3	-175.3	60.6	-159.9	0	0	111.7	G194 R213 Y218 R438 L479 L480	E192-G194 VanDerWaalsContact C-N 3.33Å; E192-R213 WeakPolarHBondContact O-CD 3.35Å; E192-R213 PolarHBondContact O-NH1 2.87Å; E192-Y218 WeakPolarHBondContact CA-OH 3.22Å; E192-Y218 VanDerWaalsContact OE2-CE1 3.27Å; E192-Y218 WeakPolarHBondContact OE2-CE1 3.42Å; E192-Y218 VanDerWaalsContact OE2-CZ 3.31Å; E192-Y218 PolarHBondContact OE2-OH 2.86Å; E192-R438 PolarHBondContact O-NH2 3.25Å; E192-R438 IonicContact OE1-CZ 2.92Å; E192-R438 IonicContact OE1-NE 3.7Å; E192-R438 IonicContact OE1-NH2 3.63Å; E192-R438 PolarHBondContact OE1-NH2 2.93Å; E192-L479 HydrophobicContact CB-CD2 4.43Å; E192-L479 HydrophobicContact CB-CG 4.45Å; E192-L479 HydrophobicContact CG-CD2 4.18Å; E192-L480 PolarHBondContact N-O 3.43Å
193	E	90.6	Very high	93.2	Very high	73 Å²	73	14.1 Å²	14.1	34%	0.341	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-16.1	171.3	-62.4	-173.2	96.1	0	0	113.5	A163 F164 S191 R213	A163-E193 WeakPolarHBondContact CA-OE2 3.29Å; A163-E193 HydrophobicContact CB-CB 3.98Å; A163-E193 HydrophobicContact CB-CG 4.41Å; A163-E193 WeakPolarHBondContact CB-OE2 3.36Å; F164-E193 PolarHBondContact N-OE2 3.32Å; S191-E193 PolarHBondContact O-N 2.86Å; S191-E193 WeakPolarHBondContact OG-CB 3.49Å; S191-E193 PolarHBondContact OG-N 2.67Å; S191-E193 VanDerWaalsContact OG-N 3.11Å; E193-R213 PolarHBondContact O-NH1 2.88Å; E193-R213 VanDerWaalsContact O-NH1 3.1Å
194	G	90.4	Very high	92.8	Very high	5 Å²	5	14.8 Å²	14.8	5%	0.052	7%	0.068	C	C	.	.	S	Bend	trans	105.4	21.3	173.6	0	0	0	0	0	116.1	S156 V159 S191 E192	S156-G194 WeakPolarHBondContact CB-O 3.41Å; S156-G194 PolarHBondContact N-O 3.5Å; V159-G194 VanDerWaalsContact CG2-C 3.47Å; V159-G194 WeakPolarHBondContact CG2-O 3.44Å; S191-G194 PolarHBondContact O-N 3.38Å; E192-G194 VanDerWaalsContact C-N 3.33Å
195	I	92.7	Very high	92.2	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	127	166.7	-57.5	-177.8	0	0	0	108.3	D153 L155 V159 A163 N165 S191	D153-I195 HydrophobicContact CB-CG2 4.31Å; L155-I195 HydrophobicContact CD2-CB 4.47Å; L155-I195 HydrophobicContact CD2-CG1 3.96Å; L155-I195 HydrophobicContact CD2-CG2 4.25Å; V159-I195 HydrophobicContact CG1-CD1 4.05Å; V159-I195 HydrophobicContact CG1-CG1 3.72Å; V159-I195 HydrophobicContact CG2-CG1 4.23Å; A163-I195 HydrophobicContact CB-CD1 3.85Å; A163-I195 HydrophobicContact CB-CG1 4.47Å; N165-I195 HydrophobicContact CB-CD1 3.95Å; S191-I195 PolarHBondContact N-O 3.27Å
196	F	94	Very high	91.4	Very high	5 Å²	5	28.1 Å²	28.1	2%	0.022	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	102.3	171.2	-179.6	-101.9	0	0	0	109.7	D153 R154 Y188 V198 F204 Y210 H212 M461	D153-F196 CarbonylContact C-O 3.57Å; D153-F196 WeakPolarHBondContact CA-O 3.34Å; R154-F196 HydrophobicContact CB-CB 4.48Å; R154-F196 PolarHBondContact N-O 3.4Å; R154-F196 PolarHBondContact O-N 2.96Å; Y188-F196 HydrophobicContact CD1-CE2 4.29Å; Y188-F196 HydrophobicContact CD1-CZ 4.1Å; Y188-F196 AromaticContact CD2-CE2 3.64Å; Y188-F196 HydrophobicContact CD2-CE2 3.64Å; Y188-F196 HydrophobicContact CD2-CZ 4.26Å; Y188-F196 HydrophobicContact CE2-CE2 4.19Å; Y188-F196 AromaticContact CG-CE2 3.67Å; Y188-F196 HydrophobicContact CG-CE2 3.67Å; Y188-F196 AromaticContact CG-CZ 3.83Å; Y188-F196 HydrophobicContact CG-CZ 3.83Å; F196-V198 HydrophobicContact CD1-CB 4.42Å; F196-V198 HydrophobicContact CE1-CB 3.79Å; F196-V198 HydrophobicContact CE1-CG1 4.11Å; F196-V198 HydrophobicContact CE1-CG2 4.33Å; F196-V198 HydrophobicContact CZ-CB 4.27Å; F196-V198 HydrophobicContact CZ-CG2 4.48Å; F196-F204 HydrophobicContact CD1-CZ 4.35Å; F196-F204 HydrophobicContact CE1-CZ 4.07Å; F196-Y210 HydrophobicContact CB-CD1 4.37Å; F196-Y210 HydrophobicContact CB-CE1 4.03Å; F196-Y210 HydrophobicContact CD1-CD1 4.44Å; F196-Y210 AromaticContact CD1-CE1 3.58Å; F196-Y210 HydrophobicContact CD1-CE1 3.58Å; F196-Y210 HydrophobicContact CD2-CE1 4.49Å; F196-Y210 HydrophobicContact CE1-CE1 4.12Å; F196-Y210 AromaticContact CG-CE1 3.78Å; F196-Y210 HydrophobicContact CG-CE1 3.78Å; F196-H212 HydrophobicContact CB-CB 4.19Å; F196-H212 HydrophobicContact CD2-CB 3.62Å; F196-H212 AromaticContact CD2-CD2 3.72Å; F196-H212 AromaticContact CD2-CG 3.33Å; F196-H212 AromaticContact CD2-ND1 3.6Å; F196-H212 HydrophobicContact CE2-CB 4.25Å; F196-H212 AromaticContact CE2-CD2 3.4Å; F196-H212 VanDerWaalsContact CE2-CD2 3.4Å; F196-H212 WeakPolarHBondContact CE2-CD2 3.5Å; F196-H212 AromaticContact CE2-CE1 3.68Å; F196-H212 AromaticContact CE2-CG 3.49Å; F196-H212 VanDerWaalsContact CE2-CG 3.49Å; F196-H212 AromaticContact CE2-ND1 3.66Å; F196-H212 AromaticContact CE2-NE2 3.54Å; F196-H212 HydrophobicContact CG-CB 4.07Å; F196-M461 HydrophobicContact CE1-SD 4.49Å
197	T	94.8	Very high	90.3	Very high	1 Å²	1	38 Å²	38	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.3	176.4	-57.2	0	0	0	0	109.7	C152 D153 Y188 F189	C152-T197 CarbonylContact O-C 3.59Å; C152-T197 WeakPolarHBondContact O-CA 3.36Å; D153-T197 WeakPolarHBondContact OD1-CA 3.49Å; D153-T197 VanDerWaalsContact OD1-CB 3.29Å; D153-T197 WeakPolarHBondContact OD1-CB 3.27Å; D153-T197 WeakPolarHBondContact OD1-CG2 3.46Å; D153-T197 PolarHBondContact OD1-OG1 2.89Å; Y188-T197 CarbonylContact C-O 3.55Å; Y188-T197 WeakPolarHBondContact CA-O 3.38Å; Y188-T197 WeakPolarHBondContact CB-O 3.21Å; F189-T197 PolarHBondContact N-O 3.31Å; F189-T197 PolarHBondContact O-N 3.14Å
198	V	95.1	Very high	89.1	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	148.5	179.3	69.3	0	0	0	0	113.6	S151 C152 W186 Q187 F196 F204 M461	S151-V198 CarbonylContact C-O 3.49Å; S151-V198 WeakPolarHBondContact CA-O 3.24Å; S151-V198 WeakPolarHBondContact CB-O 3.47Å; C152-V198 PolarHBondContact N-O 3.35Å; C152-V198 PolarHBondContact O-N 3.48Å; W186-V198 HydrophobicContact CB-CG2 4.13Å; W186-V198 HydrophobicContact CE3-CG2 4.43Å; Q187-V198 WeakPolarHBondContact O-CA 3.48Å; F196-V198 HydrophobicContact CD1-CB 4.42Å; F196-V198 HydrophobicContact CE1-CB 3.79Å; F196-V198 HydrophobicContact CE1-CG1 4.11Å; F196-V198 HydrophobicContact CE1-CG2 4.33Å; F196-V198 HydrophobicContact CZ-CB 4.27Å; F196-V198 HydrophobicContact CZ-CG2 4.48Å; V198-F204 HydrophobicContact CG1-CE2 3.67Å; V198-F204 HydrophobicContact CG1-CZ 3.92Å; V198-M461 HydrophobicContact CB-CE 4.41Å; V198-M461 HydrophobicContact CG1-CE 4.21Å; V198-M461 HydrophobicContact CG2-CE 3.5Å
199	F	95.2	Very high	88	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142.8	-179.7	-177.1	-84.3	0	0	0	110.9	R148 I150 L174 A175 L178 Q187	R148-F199 WeakPolarHBondContact O-CZ 3.44Å; I150-F199 WeakPolarHBondContact O-CD2 3.44Å; L174-F199 HydrophobicContact CB-CB 4Å; L174-F199 HydrophobicContact CB-CD1 3.59Å; L174-F199 HydrophobicContact CB-CD2 3.97Å; L174-F199 HydrophobicContact CB-CE1 4.02Å; L174-F199 HydrophobicContact CB-CE2 4.37Å; L174-F199 HydrophobicContact CB-CG 3.57Å; L174-F199 HydrophobicContact CB-CZ 4.4Å; L174-F199 HydrophobicContact CD1-CB 3.54Å; L174-F199 HydrophobicContact CD1-CD2 4.4Å; L174-F199 HydrophobicContact CD1-CG 4.01Å; L174-F199 HydrophobicContact CG-CB 4.35Å; L174-F199 HydrophobicContact CG-CG 4.42Å; L174-F199 WeakPolarHBondContact O-CE1 3.41Å; A175-F199 HydrophobicContact CB-CE1 4.47Å; A175-F199 HydrophobicContact CB-CE2 4.43Å; A175-F199 HydrophobicContact CB-CZ 3.75Å; L178-F199 HydrophobicContact CB-CE1 4.15Å; L178-F199 HydrophobicContact CD2-CD1 4.5Å; L178-F199 HydrophobicContact CD2-CE1 3.77Å; Q187-F199 PolarHBondContact N-O 2.85Å; Q187-F199 PolarHBondContact O-N 2.83Å
200	P	94.9	Very high	87.3	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.222	C	C	.	.	S	Bend	cis	-64.5	151.7	-10.4	29.9	-36	0	0	0	111.1	F142 V146 S147 L178 W186 H202	F142-P200 HydrophobicContact CD1-CG 4.32Å; F142-P200 HydrophobicContact CE1-CG 3.59Å; F142-P200 HydrophobicContact CE2-CG 4.23Å; F142-P200 HydrophobicContact CZ-CG 3.54Å; V146-P200 HydrophobicContact CB-CB 4.14Å; V146-P200 HydrophobicContact CB-CG 3.95Å; V146-P200 HydrophobicContact CG1-CG 4.19Å; V146-P200 HydrophobicContact CG2-CG 4.31Å; S147-P200 VanDerWaalsContact O-CB 3.28Å; S147-P200 WeakPolarHBondContact O-CB 3.28Å; L178-P200 HydrophobicContact CD2-CG 4.46Å; W186-P200 HydrophobicContact CE3-CG 4.35Å; W186-P200 HydrophobicContact CZ3-CG 4.08Å; W186-P200 WeakPolarHBondContact CZ3-O 3.49Å; P200-H202 PolarHBondContact O-N 3.09Å
201	A	93.7	Very high	87	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	136.1	178.3	0	0	0	0	0	110.9	I131 V146 S147 I150 C152	I131-A201 HydrophobicContact CD1-CB 3.67Å; V146-A201 CarbonylContact C-O 3.38Å; V146-A201 VanDerWaalsContact CA-O 3.3Å; V146-A201 WeakPolarHBondContact CA-O 3.45Å; S147-A201 PolarHBondContact N-O 2.62Å; S147-A201 PolarHBondContact O-N 2.6Å; I150-A201 HydrophobicContact CD1-CB 4.46Å; I150-A201 HydrophobicContact CG1-CB 4.03Å; I150-A201 WeakPolarHBondContact O-CB 3.49Å; I150-A201 PolarHBondContact O-N 2.98Å; C152-A201 HydrophobicContact CB-CB 3.67Å
202	H	91.1	Very high	86.9	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.019	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	168.2	178.5	82.4	-82.8	0	0	0	111	T144 V146 W186 P200 F204 M461	T144-H202 HydrophobicContact CG2-CB 4.43Å; V146-H202 HydrophobicContact CG1-CB 4.07Å; W186-H202 HydrophobicContact CH2-CB 3.92Å; W186-H202 AromaticContact CH2-CG 3.73Å; W186-H202 AromaticContact CH2-ND1 3.69Å; W186-H202 HydrophobicContact CZ3-CB 4.05Å; W186-H202 AromaticContact CZ3-CG 4Å; W186-H202 AromaticContact CZ3-ND1 3.65Å; P200-H202 PolarHBondContact O-N 3.09Å; H202-F204 AromaticContact CE1-CD2 3.43Å; H202-F204 VanDerWaalsContact CE1-CD2 3.43Å; H202-F204 WeakPolarHBondContact CE1-CD2 3.38Å; H202-F204 AromaticContact CE1-CE2 3.17Å; H202-F204 WeakPolarHBondContact CE1-CE2 3.34Å; H202-F204 AromaticContact CE1-CZ 3.49Å; H202-F204 VanDerWaalsContact CE1-CZ 3.49Å; H202-F204 WeakPolarHBondContact CE1-CZ 3.41Å; H202-F204 AromaticContact ND1-CE2 3.81Å; H202-F204 AromaticContact NE2-CD2 3.59Å; H202-F204 AromaticContact NE2-CE2 3.8Å; H202-F204 AromaticContact NE2-CG 3.79Å; H202-F204 PolarHBondContact O-N 3.48Å; H202-M461 VanDerWaalsContact CE1-CE 3.41Å; H202-M461 WeakPolarHBondContact CE1-CE 3.43Å; H202-M461 VanDerWaalsContact CE1-CG 3.47Å; H202-M461 WeakPolarHBondContact CE1-CG 3.34Å
203	K	83.2	Confident	86.9	Confident	140 Å²	140	44.3 Å²	44.3	61%	0.609	22%	0.218	S	C	*	.			trans	-84.6	93.8	-178.5	-166.6	174.9	-176.6	175.4	0	112.8	M136	M136-K203 HydrophobicContact CE-CB 4Å; M136-K203 HydrophobicContact SD-CB 4.08Å
204	F	80.9	Confident	86.9	Confident	22 Å²	22	41 Å²	41	10%	0.096	20%	0.204	C	C	.	.			trans	-57.6	157.7	173.5	-84.7	-97.8	0	0	0	114	C128 R154 F196 V198 H202 C206 Y210 M461	C128-F204 HydrophobicContact CB-CD2 3.53Å; C128-F204 HydrophobicContact CB-CE2 4.13Å; C128-F204 HydrophobicContact CB-CG 4.43Å; C128-F204 VanDerWaalsContact SG-CD2 3.53Å; C128-F204 WeakPolarHBondContact SG-CE2 3.41Å; R154-F204 HydrophobicContact CG-CD1 3.97Å; R154-F204 HydrophobicContact CG-CD2 3.9Å; R154-F204 HydrophobicContact CG-CE1 3.92Å; R154-F204 HydrophobicContact CG-CE2 3.82Å; R154-F204 HydrophobicContact CG-CG 3.95Å; R154-F204 HydrophobicContact CG-CZ 3.84Å; F196-F204 HydrophobicContact CD1-CZ 4.35Å; F196-F204 HydrophobicContact CE1-CZ 4.07Å; V198-F204 HydrophobicContact CG1-CE2 3.67Å; V198-F204 HydrophobicContact CG1-CZ 3.92Å; H202-F204 AromaticContact CE1-CD2 3.43Å; H202-F204 VanDerWaalsContact CE1-CD2 3.43Å; H202-F204 WeakPolarHBondContact CE1-CD2 3.38Å; H202-F204 AromaticContact CE1-CE2 3.17Å; H202-F204 WeakPolarHBondContact CE1-CE2 3.34Å; H202-F204 AromaticContact CE1-CZ 3.49Å; H202-F204 VanDerWaalsContact CE1-CZ 3.49Å; H202-F204 WeakPolarHBondContact CE1-CZ 3.41Å; H202-F204 AromaticContact ND1-CE2 3.81Å; H202-F204 AromaticContact NE2-CD2 3.59Å; H202-F204 AromaticContact NE2-CE2 3.8Å; H202-F204 AromaticContact NE2-CG 3.79Å; H202-F204 PolarHBondContact O-N 3.48Å; F204-C206 VanDerWaalsContact C-N 3.31Å; F204-C206 PolarHBondContact O-N 3.47Å; F204-C206 PolarHBondContact O-SG 3.09Å; F204-Y210 HydrophobicContact CE1-CE2 4.12Å; F204-M461 HydrophobicContact CE1-CG 4.1Å; F204-M461 HydrophobicContact CE1-SD 4.17Å; F204-M461 HydrophobicContact CZ-CE 4.38Å; F204-M461 HydrophobicContact CZ-CG 4.28Å; F204-M461 HydrophobicContact CZ-SD 3.93Å
205	R	79.8	Confident	86.9	Confident	239 Å²	239	44.2 Å²	44.2	90%	0.902	21%	0.214	S	C	*	.			trans	-75.7	79.1	166.6	-64.1	-177.7	-175.8	179.2	4.3	110.5	K207	R205-K207 PolarHBondContact O-N 3.42Å
206	C	76.8	Confident	86.9	Confident	56 Å²	56	45.9 Å²	45.9	38%	0.378	23%	0.225	S	C	.	.			trans	-68.1	35.1	-170.4	-61.2	0	0	0	0	117.6	C129 F204	C129-C206 WeakPolarHBondContact CA-SG 3.49Å; C129-C206 HydrophobicContact CB-CB 3.83Å; C129-C206 WeakPolarHBondContact CB-SG 3.43Å; C129-C206 WeakPolarHBondContact SG-CB 3.44Å; C129-C206 CovalentContact SG-SG 2.02Å; C129-C206 PolarHBondContact SG-SG 3.4Å; F204-C206 VanDerWaalsContact C-N 3.31Å; F204-C206 PolarHBondContact O-N 3.47Å; F204-C206 PolarHBondContact O-SG 3.09Å
207	K	72.8	Confident	86.8	Confident	209 Å²	209	46.6 Å²	46.6	91%	0.909	23%	0.229	S	C	*	.	S	Bend	trans	-104.8	100	174.7	-72	-175.5	176.7	-178.8	0	110.1	R205	R205-K207 PolarHBondContact O-N 3.42Å
208	G	70.3	Confident	86.8	Confident	58 Å²	58	46.5 Å²	46.5	60%	0.598	23%	0.228	S	C	*	.	S	Bend	trans	111.9	-177.2	175.5	0	0	0	0	0	114.4	R154	R154-G208 PolarHBondContact NH2-O 2.82Å
209	S	73.2	Confident	86.7	Confident	59 Å²	59	46.5 Å²	46.5	41%	0.413	23%	0.228	S	C	.	.			trans	-62.4	163.1	165.5	47.1	0	0	0	0	110.8	E433	S209-E433 PolarHBondContact OG-OE2 2.77Å
210	Y	83.4	Confident	86.4	Confident	38 Å²	38	47.1 Å²	47.1	15%	0.149	23%	0.232	C	C	.	.			trans	-137.9	114.3	167.2	-178.8	-94	0	0	0	108.2	R154 F196 F204 H212	R154-Y210 HydrophobicContact CB-CD1 3.66Å; R154-Y210 HydrophobicContact CB-CE1 4.32Å; R154-Y210 HydrophobicContact CB-CG 4.14Å; R154-Y210 HydrophobicContact CG-CD1 4.32Å; F196-Y210 HydrophobicContact CB-CD1 4.37Å; F196-Y210 HydrophobicContact CB-CE1 4.03Å; F196-Y210 HydrophobicContact CD1-CD1 4.44Å; F196-Y210 AromaticContact CD1-CE1 3.58Å; F196-Y210 HydrophobicContact CD1-CE1 3.58Å; F196-Y210 HydrophobicContact CD2-CE1 4.49Å; F196-Y210 HydrophobicContact CE1-CE1 4.12Å; F196-Y210 AromaticContact CG-CE1 3.78Å; F196-Y210 HydrophobicContact CG-CE1 3.78Å; F204-Y210 HydrophobicContact CE1-CE2 4.12Å; Y210-H212 HydrophobicContact CE1-CB 4Å
211	E	88.9	Confident	86.3	Confident	5 Å²	5	47.2 Å²	47.2	2%	0.023	23%	0.233	C	C	.	.			trans	-111.7	118.5	175.7	-172.8	54.5	-101.6	0	0	109.9	S156 R213 S214 E433	S156-E211 VanDerWaalsContact CB-OE2 3.23Å; S156-E211 WeakPolarHBondContact CB-OE2 3.47Å; S156-E211 PolarHBondContact OG-OE2 3.03Å; E211-R213 VanDerWaalsContact OE1-CB 3.23Å; E211-R213 WeakPolarHBondContact OE1-CB 3.36Å; E211-R213 VanDerWaalsContact OE1-CG 3.32Å; E211-R213 WeakPolarHBondContact OE1-CG 3.49Å; E211-R213 IonicContact OE1-CZ 3.47Å; E211-R213 PolarHBondContact OE1-N 3.2Å; E211-R213 IonicContact OE1-NE 2.66Å; E211-R213 PolarHBondContact OE1-NE 3.23Å; E211-R213 IonicContact OE1-NH2 2.71Å; E211-R213 IonicContact OE2-CZ 3.32Å; E211-R213 IonicContact OE2-NE 3.09Å; E211-R213 PolarHBondContact OE2-NE 3.47Å; E211-R213 IonicContact OE2-NH2 3.65Å; E211-R213 PolarHBondContact OE2-NH2 2.94Å; E211-S214 WeakPolarHBondContact CG-OG 3.4Å; E211-S214 PolarHBondContact O-OG 3.14Å; E211-E433 HydrophobicContact CB-CB 3.7Å; E211-E433 HydrophobicContact CG-CB 3.97Å
212	H	91.4	Very high	86.2	Confident	11 Å²	11	47.4 Å²	47.4	5%	0.051	23%	0.234	C	C	.	.	S	Bend	trans	-93.8	-26.1	176.1	-170.5	-100.8	0	0	0	111.8	Y188 S190 F196 Y210 S214 R215 Y218	Y188-H212 AromaticContact CE2-CE1 3.74Å; S190-H212 VanDerWaalsContact CB-ND1 3.34Å; S190-H212 WeakPolarHBondContact CB-ND1 3.29Å; S190-H212 PolarHBondContact OG-ND1 3.45Å; F196-H212 HydrophobicContact CB-CB 4.19Å; F196-H212 HydrophobicContact CD2-CB 3.62Å; F196-H212 AromaticContact CD2-CD2 3.72Å; F196-H212 AromaticContact CD2-CG 3.33Å; F196-H212 AromaticContact CD2-ND1 3.6Å; F196-H212 HydrophobicContact CE2-CB 4.25Å; F196-H212 AromaticContact CE2-CD2 3.4Å; F196-H212 VanDerWaalsContact CE2-CD2 3.4Å; F196-H212 WeakPolarHBondContact CE2-CD2 3.5Å; F196-H212 AromaticContact CE2-CE1 3.68Å; F196-H212 AromaticContact CE2-CG 3.49Å; F196-H212 VanDerWaalsContact CE2-CG 3.49Å; F196-H212 AromaticContact CE2-ND1 3.66Å; F196-H212 AromaticContact CE2-NE2 3.54Å; F196-H212 HydrophobicContact CG-CB 4.07Å; Y210-H212 HydrophobicContact CE1-CB 4Å; H212-S214 PolarHBondContact O-N 2.95Å; H212-S214 VanDerWaalsContact O-N 3.15Å; H212-R215 WeakPolarHBondContact O-CB 3.34Å; H212-R215 PolarHBondContact O-N 3.08Å; H212-Y218 AromaticContact ND1-CD2 3.88Å; H212-Y218 WeakPolarHBondContact O-CB 3.34Å
213	R	92.1	Very high	86.1	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.015	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-21.1	-178.4	-61.6	171.2	-67.8	-171.7	-1.8	112.9	S156 T158 E192 E193 E211 Y218 R438 Y440	S156-R213 PolarHBondContact OG-NH2 2.87Å; S156-R213 VanDerWaalsContact OG-NH2 3.13Å; T158-R213 PolarHBondContact OG1-NH2 2.88Å; T158-R213 VanDerWaalsContact OG1-NH2 3.14Å; E192-R213 WeakPolarHBondContact O-CD 3.35Å; E192-R213 PolarHBondContact O-NH1 2.87Å; E193-R213 PolarHBondContact O-NH1 2.88Å; E193-R213 VanDerWaalsContact O-NH1 3.1Å; E211-R213 VanDerWaalsContact OE1-CB 3.23Å; E211-R213 WeakPolarHBondContact OE1-CB 3.36Å; E211-R213 VanDerWaalsContact OE1-CG 3.32Å; E211-R213 WeakPolarHBondContact OE1-CG 3.49Å; E211-R213 IonicContact OE1-CZ 3.47Å; E211-R213 PolarHBondContact OE1-N 3.2Å; E211-R213 IonicContact OE1-NE 2.66Å; E211-R213 PolarHBondContact OE1-NE 3.23Å; E211-R213 IonicContact OE1-NH2 2.71Å; E211-R213 IonicContact OE2-CZ 3.32Å; E211-R213 IonicContact OE2-NE 3.09Å; E211-R213 PolarHBondContact OE2-NE 3.47Å; E211-R213 IonicContact OE2-NH2 3.65Å; E211-R213 PolarHBondContact OE2-NH2 2.94Å; R213-Y218 HydrophobicContact CB-CD1 4.08Å; R213-Y218 HydrophobicContact CB-CE1 4.11Å; R213-Y218 HydrophobicContact CB-CG 4.45Å; R213-Y218 HydrophobicContact CG-CD1 4.39Å; R213-Y218 HydrophobicContact CG-CE1 4.04Å; R213-Y218 HydrophobicContact CG-CE2 4.21Å; R213-Y218 WeakPolarHBondContact O-CD1 3.34Å; R213-R438 HydrophobicContact CB-CG 4.04Å; R213-Y440 WeakPolarHBondContact O-CE1 3.35Å
214	S	90.9	Very high	86.3	Confident	4 Å²	4	43.2 Å²	43.2	3%	0.028	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	7.2	175.8	59.7	0	0	0	0	114.3	E211 H212 A257	E211-S214 WeakPolarHBondContact CG-OG 3.4Å; E211-S214 PolarHBondContact O-OG 3.14Å; H212-S214 PolarHBondContact O-N 2.95Å; H212-S214 VanDerWaalsContact O-N 3.15Å; S214-A257 VanDerWaalsContact O-CA 3.26Å; S214-A257 WeakPolarHBondContact O-CA 3.45Å; S214-A257 WeakPolarHBondContact O-CB 3.29Å
215	R	91.1	Very high	86.5	Confident	73 Å²	73	43.6 Å²	43.6	28%	0.275	22%	0.222	S	C	.	.	S	Bend	trans	-88.4	146.5	176.7	-61.1	-56.5	-164.2	118.6	9.6	111	H212 I217 Y218 V219 E460	H212-R215 WeakPolarHBondContact O-CB 3.34Å; H212-R215 PolarHBondContact O-N 3.08Å; R215-I217 HydrophobicContact CB-CG2 4.21Å; R215-I217 PolarHBondContact O-N 2.85Å; R215-I217 VanDerWaalsContact O-N 3.11Å; R215-Y218 WeakPolarHBondContact O-CB 3.12Å; R215-Y218 PolarHBondContact O-N 3.07Å; R215-V219 PolarHBondContact O-N 3.03Å; R215-E460 IonicContact CZ-OE1 3.4Å; R215-E460 IonicContact CZ-OE2 3.22Å; R215-E460 VanDerWaalsContact NH1-CD 3.34Å; R215-E460 IonicContact NH1-OE1 4Å; R215-E460 PolarHBondContact NH1-OE1 3.38Å; R215-E460 IonicContact NH1-OE2 3.47Å; R215-E460 PolarHBondContact NH1-OE2 2.84Å; R215-E460 IonicContact NH2-OE1 2.82Å; R215-E460 IonicContact NH2-OE2 3.82Å; R215-E460 PolarHBondContact NH2-OE2 3.18Å
216	P	91.3	Very high	86.8	Confident	36 Å²	36	33.2 Å²	33.2	23%	0.234	19%	0.186	C	C	.	.	H	α-helix	trans	-54	-38	-175.7	-28.7	36.6	0	0	0	113.8	Y218 V219 S220 S256 A257 I258 D259	P216-Y218 VanDerWaalsContact C-N 3.32Å; P216-Y218 PolarHBondContact O-N 3.33Å; P216-V219 PolarHBondContact O-N 3.31Å; P216-S220 WeakPolarHBondContact O-CB 3.29Å; P216-S220 PolarHBondContact O-N 2.97Å; P216-S220 PolarHBondContact O-OG 3.45Å; P216-S220 VanDerWaalsContact O-OG 3.06Å; P216-S256 VanDerWaalsContact CD-O 3.28Å; P216-S256 WeakPolarHBondContact CD-O 3.48Å; P216-S256 VanDerWaalsContact CG-O 3.24Å; P216-S256 WeakPolarHBondContact CG-O 3.4Å; P216-A257 WeakPolarHBondContact CA-O 3.42Å; P216-I258 WeakPolarHBondContact CG-O 3.35Å; P216-D259 HydrophobicContact CB-CB 4.46Å
217	I	93.3	Very high	87.4	Confident	19 Å²	19	30.5 Å²	30.5	10%	0.097	17%	0.168	C	C	.	.	H	α-helix	trans	-61.3	-36.3	176.9	-172.5	54.9	0	0	0	113.2	R215 S220 T221 T468 S470	R215-I217 HydrophobicContact CB-CG2 4.21Å; R215-I217 PolarHBondContact O-N 2.85Å; R215-I217 VanDerWaalsContact O-N 3.11Å; I217-S220 PolarHBondContact O-OG 3.42Å; I217-T221 VanDerWaalsContact O-CB 3.29Å; I217-T221 WeakPolarHBondContact O-CB 3.46Å; I217-T221 PolarHBondContact O-N 3.07Å; I217-T221 VanDerWaalsContact O-N 3.09Å; I217-T221 PolarHBondContact O-OG1 2.78Å; I217-T468 HydrophobicContact CD1-CG2 3.82Å; I217-T468 HydrophobicContact CG1-CG2 3.84Å; I217-S470 WeakPolarHBondContact CD1-OG 3.31Å
218	Y	93.8	Very high	88.4	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-71.4	-45.1	175.7	-164.1	-84.6	0	0	0	111	S190 E192 H212 R213 R215 P216 T221 V222 Y440 I482	S190-Y218 WeakPolarHBondContact O-CE2 3.35Å; S190-Y218 WeakPolarHBondContact OG-CD2 3.21Å; S190-Y218 VanDerWaalsContact OG-CE2 3.29Å; S190-Y218 WeakPolarHBondContact OG-CE2 3.46Å; E192-Y218 WeakPolarHBondContact CA-OH 3.22Å; E192-Y218 VanDerWaalsContact OE2-CE1 3.27Å; E192-Y218 WeakPolarHBondContact OE2-CE1 3.42Å; E192-Y218 VanDerWaalsContact OE2-CZ 3.31Å; E192-Y218 PolarHBondContact OE2-OH 2.86Å; H212-Y218 AromaticContact ND1-CD2 3.88Å; H212-Y218 WeakPolarHBondContact O-CB 3.34Å; R213-Y218 HydrophobicContact CB-CD1 4.08Å; R213-Y218 HydrophobicContact CB-CE1 4.11Å; R213-Y218 HydrophobicContact CB-CG 4.45Å; R213-Y218 HydrophobicContact CG-CD1 4.39Å; R213-Y218 HydrophobicContact CG-CE1 4.04Å; R213-Y218 HydrophobicContact CG-CE2 4.21Å; R213-Y218 WeakPolarHBondContact O-CD1 3.34Å; R215-Y218 WeakPolarHBondContact O-CB 3.12Å; R215-Y218 PolarHBondContact O-N 3.07Å; P216-Y218 VanDerWaalsContact C-N 3.32Å; P216-Y218 PolarHBondContact O-N 3.33Å; Y218-T221 PolarHBondContact O-N 3.49Å; Y218-V222 HydrophobicContact CD1-CG2 4.13Å; Y218-V222 HydrophobicContact CE1-CG2 3.78Å; Y218-V222 WeakPolarHBondContact O-CG2 3.5Å; Y218-V222 PolarHBondContact O-N 3.45Å; Y218-V222 VanDerWaalsContact O-N 3.09Å; Y218-Y440 AromaticContact CD1-CZ 3.94Å; Y218-Y440 HydrophobicContact CE1-CE2 4.34Å; Y218-Y440 AromaticContact CE1-CZ 3.95Å; Y218-Y440 VanDerWaalsContact CE1-OH 3.24Å; Y218-Y440 WeakPolarHBondContact CE1-OH 3.48Å; Y218-I482 HydrophobicContact CD2-CD1 3.78Å; Y218-I482 HydrophobicContact CD2-CG1 3.65Å; Y218-I482 HydrophobicContact CD2-CG2 4.16Å; Y218-I482 HydrophobicContact CE2-CB 4.32Å; Y218-I482 HydrophobicContact CE2-CD1 4.4Å; Y218-I482 HydrophobicContact CE2-CG1 3.79Å; Y218-I482 HydrophobicContact CE2-CG2 3.87Å; Y218-I482 HydrophobicContact CG-CD1 4.42Å
219	V	92	Very high	89.6	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.4	-46.6	-179.8	-177.9	0	0	0	0	111.1	R215 P216 V222 R223 A257 Y440	R215-V219 PolarHBondContact O-N 3.03Å; P216-V219 PolarHBondContact O-N 3.31Å; V219-V222 PolarHBondContact O-N 2.87Å; V219-R223 WeakPolarHBondContact O-CA 3.42Å; V219-R223 WeakPolarHBondContact O-CB 3.39Å; V219-R223 PolarHBondContact O-N 2.91Å; V219-A257 VanDerWaalsContact CG2-O 3.28Å; V219-A257 WeakPolarHBondContact CG2-O 3.46Å; V219-Y440 HydrophobicContact CB-CD1 4.33Å; V219-Y440 HydrophobicContact CG1-CD1 4.09Å; V219-Y440 HydrophobicContact CG1-CG 4.17Å; V219-Y440 HydrophobicContact CG2-CD1 3.64Å; V219-Y440 HydrophobicContact CG2-CE1 3.9Å; V219-Y440 HydrophobicContact CG2-CG 4.46Å
220	S	90.5	Very high	90.7	Very high	12 Å²	12	15.1 Å²	15.1	8%	0.084	8%	0.077	C	C	.	.	H	α-helix	trans	-70.4	-34.7	178.7	67.1	0	0	0	0	112.6	P216 I217 V222 R223 P224	P216-S220 WeakPolarHBondContact O-CB 3.29Å; P216-S220 PolarHBondContact O-N 2.97Å; P216-S220 PolarHBondContact O-OG 3.45Å; P216-S220 VanDerWaalsContact O-OG 3.06Å; I217-S220 PolarHBondContact O-OG 3.42Å; S220-V222 PolarHBondContact O-N 3.4Å; S220-R223 CarbonylContact O-C 3.55Å; S220-R223 VanDerWaalsContact O-C 3.27Å; S220-P224 WeakPolarHBondContact O-CA 3.28Å; S220-P224 VanDerWaalsContact O-CB 3.31Å; S220-P224 WeakPolarHBondContact O-CB 3.45Å; S220-P224 VanDerWaalsContact O-CD 3.27Å; S220-P224 WeakPolarHBondContact O-CD 3.34Å
221	T	92.6	Very high	91.3	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.012	7%	0.07	C	C	.	.	H	α-helix	trans	-64.5	-39.3	174.7	-56.1	0	0	0	0	112.5	I217 Y218 S470 K471 P472 I482	I217-T221 VanDerWaalsContact O-CB 3.29Å; I217-T221 WeakPolarHBondContact O-CB 3.46Å; I217-T221 PolarHBondContact O-N 3.07Å; I217-T221 VanDerWaalsContact O-N 3.09Å; I217-T221 PolarHBondContact O-OG1 2.78Å; Y218-T221 PolarHBondContact O-N 3.49Å; T221-S470 WeakPolarHBondContact OG1-CB 3.45Å; T221-S470 PolarHBondContact OG1-OG 2.83Å; T221-K471 VanDerWaalsContact CG2-C 3.44Å; T221-P472 HydrophobicContact CG2-CB 4.48Å; T221-I482 HydrophobicContact CG2-CB 3.87Å; T221-I482 HydrophobicContact CG2-CD1 4.15Å; T221-I482 HydrophobicContact CG2-CG2 3.55Å
222	V	91.3	Very high	91.7	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.024	7%	0.069	C	C	.	.	H	α-helix	trans	-86	-26	-179.4	179.4	0	0	0	0	112.2	Y218 V219 S220 Y440 L479 I482	Y218-V222 HydrophobicContact CD1-CG2 4.13Å; Y218-V222 HydrophobicContact CE1-CG2 3.78Å; Y218-V222 WeakPolarHBondContact O-CG2 3.5Å; Y218-V222 PolarHBondContact O-N 3.45Å; Y218-V222 VanDerWaalsContact O-N 3.09Å; V219-V222 PolarHBondContact O-N 2.87Å; S220-V222 PolarHBondContact O-N 3.4Å; V222-Y440 HydrophobicContact CB-CE2 4.47Å; V222-Y440 HydrophobicContact CG1-CD2 4.34Å; V222-Y440 HydrophobicContact CG1-CE2 4.19Å; V222-L479 HydrophobicContact CG1-CD2 3.76Å; V222-L479 HydrophobicContact CG2-CD1 4.49Å; V222-L479 HydrophobicContact CG2-CD2 3.96Å; V222-I482 HydrophobicContact CG2-CG2 3.72Å
223	R	88.6	Confident	92	Very high	13 Å²	13	12.6 Å²	12.6	5%	0.049	7%	0.067	C	C	.	.			trans	-140.3	74.6	-179.9	-61.6	-66.5	175.6	-116.6	11.5	110.7	V219 S220 Q225 K227 Y440 L443 N445 R446	V219-R223 WeakPolarHBondContact O-CA 3.42Å; V219-R223 WeakPolarHBondContact O-CB 3.39Å; V219-R223 PolarHBondContact O-N 2.91Å; S220-R223 CarbonylContact O-C 3.55Å; S220-R223 VanDerWaalsContact O-C 3.27Å; R223-Q225 PolarHBondContact O-N 3.06Å; R223-K227 WeakPolarHBondContact O-CE 3.49Å; R223-Y440 HydrophobicContact CG-CD2 4.33Å; R223-L443 HydrophobicContact CG-CD1 4.19Å; R223-N445 PolarHBondContact NH2-OD1 2.6Å; R223-R446 PolarHBondContact NH1-O 2.78Å; R223-R446 VanDerWaalsContact NH1-O 3.08Å
224	P	86.6	Confident	92	Very high	44 Å²	44	12.4 Å²	12.4	29%	0.286	7%	0.066	S	C	.	.			trans	-73.1	7	-178.1	28.2	-35.9	0	0	0	114.7	S220 I448 V452	S220-P224 WeakPolarHBondContact O-CA 3.28Å; S220-P224 VanDerWaalsContact O-CB 3.31Å; S220-P224 WeakPolarHBondContact O-CB 3.45Å; S220-P224 VanDerWaalsContact O-CD 3.27Å; S220-P224 WeakPolarHBondContact O-CD 3.34Å; P224-I448 HydrophobicContact CG-CD1 4.04Å; P224-I448 HydrophobicContact CG-CG2 3.93Å; P224-V452 HydrophobicContact CB-CG2 3.88Å
225	Q	85.4	Confident	92.2	Very high	29 Å²	29	12.4 Å²	12.4	14%	0.136	7%	0.066	C	C	.	.	S	Bend	trans	-88.8	132.6	178.4	-74.5	159.6	6.1	0	0	108.9	R223 K227 N336	R223-Q225 PolarHBondContact O-N 3.06Å; Q225-K227 WeakPolarHBondContact O-CE 3.5Å; Q225-K227 WeakPolarHBondContact O-CG 3.49Å; Q225-K227 PolarHBondContact O-NZ 2.8Å; Q225-N336 PolarHBondContact NE2-ND2 3.05Å
226	S	86.4	Confident	92.2	Very high	21 Å²	21	8.9 Å²	8.9	15%	0.147	5%	0.053	C	C	.	.			trans	-66.3	136.4	-177.4	-50.2	0	0	0	0	111.4	T337 D338	S226-T337 WeakPolarHBondContact O-CA 3.49Å; S226-T337 WeakPolarHBondContact O-CB 3.37Å; S226-D338 PolarHBondContact O-N 2.94Å; S226-D338 VanDerWaalsContact O-N 3.15Å
227	K	90.4	Very high	91.9	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	140.3	-169.8	-58	153.3	-131.3	77.6	0	109.7	R223 Q225 I229 D259 D262 K263 D338 L443	R223-K227 WeakPolarHBondContact O-CE 3.49Å; Q225-K227 WeakPolarHBondContact O-CE 3.5Å; Q225-K227 WeakPolarHBondContact O-CG 3.49Å; Q225-K227 PolarHBondContact O-NZ 2.8Å; K227-I229 HydrophobicContact CB-CD1 3.86Å; K227-I229 HydrophobicContact CB-CG1 4Å; K227-D259 IonicContact NZ-OD2 3.01Å; K227-D259 PolarHBondContact NZ-OD2 3.35Å; K227-D262 HydrophobicContact CB-CB 4.46Å; K227-D262 VanDerWaalsContact CB-OD1 3.3Å; K227-D262 WeakPolarHBondContact CB-OD1 3.47Å; K227-D262 WeakPolarHBondContact CD-OD2 3.39Å; K227-D262 PolarHBondContact N-OD1 2.71Å; K227-D262 IonicContact NZ-OD1 2.91Å; K227-D262 PolarHBondContact NZ-OD1 3.12Å; K227-D262 IonicContact NZ-OD2 2.8Å; K227-D262 PolarHBondContact NZ-OD2 3.15Å; K227-K263 PolarHBondContact O-N 3.23Å; K227-D338 CarbonylContact C-O 3.45Å; K227-D338 WeakPolarHBondContact CA-O 3.32Å; K227-D338 HydrophobicContact CG-CB 4.34Å; K227-L443 HydrophobicContact CD-CD1 4.48Å
228	H	93.1	Very high	91.3	Very high	2 Å²	2	11 Å²	11	1%	0.009	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	101.1	172.9	-75.6	163.1	0	0	0	107.9	K263 L286 D338 M339 V340	H228-K263 PolarHBondContact NE2-NZ 3.25Å; H228-K263 VanDerWaalsContact NE2-NZ 3.18Å; H228-L286 HydrophobicContact CB-CD1 3.67Å; H228-D338 PolarHBondContact N-O 2.94Å; H228-M339 HydrophobicContact CB-CG 3.92Å; H228-V340 PolarHBondContact O-N 3.06Å
229	I	94.7	Very high	91	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.7	-168.3	-63.7	164.4	0	0	0	110.7	K227 V231 I258 K263 I264 S265 V340 I342 F439	K227-I229 HydrophobicContact CB-CD1 3.86Å; K227-I229 HydrophobicContact CB-CG1 4Å; I229-V231 HydrophobicContact CG2-CG2 4.03Å; I229-I258 HydrophobicContact CD1-CG2 3.59Å; I229-K263 PolarHBondContact N-O 3.08Å; I229-I264 HydrophobicContact CB-CG1 4.47Å; I229-I264 HydrophobicContact CG2-CD1 4.16Å; I229-I264 HydrophobicContact CG2-CG1 4.35Å; I229-I264 CarbonylContact O-C 3.51Å; I229-I264 VanDerWaalsContact O-CA 3.27Å; I229-I264 WeakPolarHBondContact O-CA 3.49Å; I229-S265 PolarHBondContact O-N 2.86Å; I229-V340 CarbonylContact C-O 3.59Å; I229-V340 WeakPolarHBondContact CA-O 3.48Å; I229-V340 HydrophobicContact CG1-CB 4.37Å; I229-I342 HydrophobicContact CG2-CD1 4.17Å; I229-F439 HydrophobicContact CD1-CE2 3.91Å; I229-F439 HydrophobicContact CD1-CZ 3.94Å
230	V	96.8	Very high	90.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	118.1	165.8	-175.5	0	0	0	0	109.5	I232 S265 L267 L286 A320 I324 V340 I341 I342	V230-I232 HydrophobicContact CG1-CG1 4.05Å; V230-S265 WeakPolarHBondContact CA-O 3.41Å; V230-L267 HydrophobicContact CG1-CD1 3.81Å; V230-L267 HydrophobicContact CG1-CG 4.07Å; V230-L286 HydrophobicContact CG2-CD2 3.61Å; V230-A320 HydrophobicContact CB-CB 4.16Å; V230-A320 HydrophobicContact CG1-CB 3.7Å; V230-A320 HydrophobicContact CG2-CB 4.41Å; V230-I324 HydrophobicContact CG2-CD1 4.11Å; V230-I324 HydrophobicContact CG2-CG1 3.92Å; V230-V340 PolarHBondContact N-O 3.17Å; V230-I341 HydrophobicContact CB-CG1 4.48Å; V230-I341 CarbonylContact O-C 3.42Å; V230-I341 WeakPolarHBondContact O-CA 3.45Å; V230-I342 PolarHBondContact O-N 3.02Å
231	V	97.3	Very high	90.8	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.006	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.4	172.9	-168.1	0	0	0	0	108.7	I229 L233 A251 I254 I264 S265 V266 L267 I342 L344	I229-V231 HydrophobicContact CG2-CG2 4.03Å; V231-L233 HydrophobicContact CG1-CD1 3.97Å; V231-A251 HydrophobicContact CG1-CB 4.28Å; V231-I254 HydrophobicContact CG1-CD1 4Å; V231-I254 HydrophobicContact CG2-CB 4.46Å; V231-I254 HydrophobicContact CG2-CD1 4.2Å; V231-I254 HydrophobicContact CG2-CG2 3.8Å; V231-I264 HydrophobicContact CG2-CD1 3.94Å; V231-S265 PolarHBondContact N-O 3.31Å; V231-V266 HydrophobicContact CB-CG2 4.34Å; V231-V266 WeakPolarHBondContact O-CA 3.43Å; V231-L267 PolarHBondContact O-N 3Å; V231-I342 WeakPolarHBondContact CA-O 3.36Å; V231-L344 HydrophobicContact CG1-CD1 3.9Å; V231-L344 HydrophobicContact CG1-CG 4.47Å
232	I	97.3	Very high	90.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	118.1	-178.3	-51.5	177.9	0	0	0	108.4	V230 L267 V269 F317 A320 I341 I342 Y343 L344	V230-I232 HydrophobicContact CG1-CG1 4.05Å; I232-L267 WeakPolarHBondContact CA-O 3.43Å; I232-L267 HydrophobicContact CG1-CD1 4.49Å; I232-V269 HydrophobicContact CG2-CG2 3.51Å; I232-F317 HydrophobicContact CD1-CD1 4.38Å; I232-F317 HydrophobicContact CD1-CE1 4.45Å; I232-A320 HydrophobicContact CD1-CB 3.76Å; I232-A320 HydrophobicContact CG1-CB 4.44Å; I232-I341 HydrophobicContact CD1-CG2 3.53Å; I232-I341 HydrophobicContact CG1-CG2 4.16Å; I232-I342 PolarHBondContact N-O 3.32Å; I232-Y343 HydrophobicContact CB-CD2 3.8Å; I232-Y343 HydrophobicContact CB-CE2 4.33Å; I232-Y343 HydrophobicContact CD1-CD2 4.18Å; I232-Y343 HydrophobicContact CG2-CD2 3.75Å; I232-Y343 HydrophobicContact CG2-CE2 3.76Å; I232-L344 PolarHBondContact O-N 2.83Å
233	L	96.1	Very high	90.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	120.4	176	-71.5	77.2	0	0	0	110.1	V231 A251 V266 L267 T268 V269 V301 L344	V231-L233 HydrophobicContact CG1-CD1 3.97Å; L233-A251 HydrophobicContact CD1-CB 3.99Å; L233-A251 HydrophobicContact CD2-CB 4.19Å; L233-A251 HydrophobicContact CG-CB 4.42Å; L233-V266 HydrophobicContact CD1-CG1 3.64Å; L233-L267 PolarHBondContact N-O 3.32Å; L233-T268 HydrophobicContact CB-CG2 4.3Å; L233-T268 CarbonylContact O-C 3.6Å; L233-T268 VanDerWaalsContact O-CA 3.29Å; L233-T268 WeakPolarHBondContact O-CA 3.36Å; L233-V269 PolarHBondContact O-N 3.45Å; L233-V301 HydrophobicContact CD2-CG1 4.25Å; L233-L344 HydrophobicContact CD1-CD1 4.28Å; L233-L344 HydrophobicContact CG-CD1 4.04Å
234	D	93.8	Very high	90.8	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	130.2	164.4	-164.7	-14.9	0	0	0	110.1	G236 V239 T311 L344 S345	D234-G236 PolarHBondContact OD1-N 2.97Å; D234-V239 HydrophobicContact CB-CG2 3.98Å; D234-T311 WeakPolarHBondContact OD1-CB 3.42Å; D234-T311 WeakPolarHBondContact OD1-CG2 3.34Å; D234-T311 PolarHBondContact OD1-OG1 2.86Å; D234-L344 VanDerWaalsContact CB-O 3.25Å; D234-L344 WeakPolarHBondContact CB-O 3.42Å; D234-L344 PolarHBondContact N-O 3.44Å; D234-S345 WeakPolarHBondContact OD2-CB 3.48Å; D234-S345 PolarHBondContact OD2-OG 3.28Å
235	H	93.9	Very high	91.1	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.019	15%	0.146	C	C	.	.			trans	-141.3	18.5	175	76.3	108.2	0	0	0	113.3	L244 T268 V269 V304 K305 S307	H235-L244 HydrophobicContact CB-CD1 3.88Å; H235-T268 VanDerWaalsContact CD2-CB 3.45Å; H235-T268 WeakPolarHBondContact CD2-CB 3.42Å; H235-T268 PolarHBondContact CD2-OG1 3.47Å; H235-T268 PolarHBondContact NE2-OG1 2.86Å; H235-V269 VanDerWaalsContact CD2-C 3.42Å; H235-V269 PolarHBondContact CD2-N 2.92Å; H235-V269 PolarHBondContact CD2-O 2.7Å; H235-V269 PolarHBondContact N-O 3.18Å; H235-V304 HydrophobicContact CB-CG1 3.97Å; H235-K305 PolarHBondContact ND1-O 2.81Å; H235-S307 WeakPolarHBondContact O-CB 3.4Å; H235-S307 PolarHBondContact O-N 3.36Å
236	G	90.5	Very high	91.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-73.1	176.9	173.8	0	0	0	0	0	113.2	D234 S238 V239 S307 S309 T311	D234-G236 PolarHBondContact OD1-N 2.97Å; G236-S238 PolarHBondContact O-N 2.9Å; G236-V239 PolarHBondContact O-N 2.98Å; G236-S307 CarbonylContact C-O 3.59Å; G236-S309 CarbonylContact C-O 3.55Å; G236-S309 WeakPolarHBondContact CA-O 3.33Å; G236-T311 WeakPolarHBondContact CA-OG1 3.33Å
237	A	86.6	Confident	91.8	Very high	68 Å²	68	22.7 Å²	22.7	56%	0.562	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-8	-168.8	0	0	0	0	0	116	S307 D308 S309	A237-S307 WeakPolarHBondContact CA-O 3.26Å; A237-S307 WeakPolarHBondContact CB-O 3.34Å; A237-S307 PolarHBondContact N-O 3.36Å; A237-D308 WeakPolarHBondContact CB-O 3.25Å; A237-S309 PolarHBondContact N-O 2.92Å
238	S	80.6	Confident	92	Very high	31 Å²	31	23.9 Å²	23.9	22%	0.217	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-10.1	175.1	55.5	0	0	0	0	113.9	G236	G236-S238 PolarHBondContact O-N 2.9Å
239	V	87.7	Confident	92	Very high	9 Å²	9	25.7 Å²	25.7	6%	0.055	15%	0.15	C	C	.	.	S	Bend	trans	-99.5	115.5	-179.3	-174.5	0	0	0	0	109.8	D234 G236 Q243 L244 L383	D234-V239 HydrophobicContact CB-CG2 3.98Å; G236-V239 PolarHBondContact O-N 2.98Å; V239-Q243 HydrophobicContact CG1-CB 3.69Å; V239-L244 HydrophobicContact CG1-CB 4.01Å; V239-L383 HydrophobicContact CG1-CD1 4.35Å
240	T	88.9	Confident	91.9	Very high	61 Å²	61	25.7 Å²	25.7	37%	0.374	15%	0.15	S	C	.	.			trans	-70	155.5	174.3	58.5	0	0	0	0	111.8	T242 Q243 L244 N385	T240-T242 PolarHBondContact O-N 3.26Å; T240-T242 VanDerWaalsContact O-N 3.1Å; T240-T242 PolarHBondContact OG1-OG1 2.97Å; T240-T242 VanDerWaalsContact OG1-OG1 3.05Å; T240-Q243 WeakPolarHBondContact O-CA 3.39Å; T240-Q243 WeakPolarHBondContact O-CB 3.4Å; T240-Q243 PolarHBondContact O-N 2.93Å; T240-Q243 WeakPolarHBondContact OG1-CG 3.21Å; T240-Q243 PolarHBondContact OG1-OE1 3.35Å; T240-L244 PolarHBondContact O-N 3.17Å; T240-N385 PolarHBondContact OG1-ND2 3.29Å
241	D	89.4	Confident	91.9	Very high	112 Å²	112	25.7 Å²	25.7	60%	0.599	15%	0.15	S	C	*	.	H	α-helix	trans	-58.1	-29.3	-178.3	-61	-43.2	0	0	0	113.2	Q245 S306	D241-Q245 WeakPolarHBondContact O-CB 3.14Å; D241-Q245 PolarHBondContact O-N 2.97Å; D241-S306 PolarHBondContact OD1-OG 2.9Å
242	T	88.9	Confident	91.7	Very high	80 Å²	80	28.7 Å²	28.7	49%	0.491	16%	0.164	S	C	.	.	H	α-helix	trans	-67.1	-46.6	171.9	46	0	0	0	0	112.4	T240 L244 Q245 I246 N385	T240-T242 PolarHBondContact O-N 3.26Å; T240-T242 VanDerWaalsContact O-N 3.1Å; T240-T242 PolarHBondContact OG1-OG1 2.97Å; T240-T242 VanDerWaalsContact OG1-OG1 3.05Å; T242-L244 VanDerWaalsContact C-N 3.34Å; T242-Q245 PolarHBondContact O-N 2.92Å; T242-I246 WeakPolarHBondContact O-CG1 3.37Å; T242-I246 PolarHBondContact O-N 3.33Å; T242-N385 PolarHBondContact OG1-OD1 3.15Å
243	Q	90	Very high	91.5	Very high	14 Å²	14	29.6 Å²	29.6	7%	0.065	17%	0.17	C	C	.	.	H	α-helix	trans	-63.3	-39.7	174.3	-72.8	165.4	-59.5	0	0	111.4	V239 T240 I246 A247 L383	V239-Q243 HydrophobicContact CG1-CB 3.69Å; T240-Q243 WeakPolarHBondContact O-CA 3.39Å; T240-Q243 WeakPolarHBondContact O-CB 3.4Å; T240-Q243 PolarHBondContact O-N 2.93Å; T240-Q243 WeakPolarHBondContact OG1-CG 3.21Å; T240-Q243 PolarHBondContact OG1-OE1 3.35Å; Q243-I246 PolarHBondContact O-N 3.13Å; Q243-A247 WeakPolarHBondContact O-CB 3.27Å; Q243-A247 PolarHBondContact O-N 3.36Å; Q243-L383 HydrophobicContact CB-CB 3.92Å; Q243-L383 HydrophobicContact CB-CD1 4.42Å; Q243-L383 HydrophobicContact CG-CB 4.02Å; Q243-L383 PolarHBondContact NE2-O 3.34Å
244	L	92.5	Very high	91.4	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-65.7	-39.9	176.2	-179.5	60	0	0	0	111.6	H235 V239 T240 T242 A247 K248 V304	H235-L244 HydrophobicContact CB-CD1 3.88Å; V239-L244 HydrophobicContact CG1-CB 4.01Å; T240-L244 PolarHBondContact O-N 3.17Å; T242-L244 VanDerWaalsContact C-N 3.34Å; L244-A247 WeakPolarHBondContact O-CB 3.2Å; L244-A247 PolarHBondContact O-N 3.45Å; L244-K248 WeakPolarHBondContact O-CG 3.43Å; L244-K248 PolarHBondContact O-N 2.92Å; L244-V304 HydrophobicContact CD1-CG1 4.18Å
245	Q	92.4	Very high	91.4	Very high	78 Å²	78	29.9 Å²	29.9	36%	0.364	17%	0.172	S	C	.	.	H	α-helix	trans	-64.6	-43.9	174.6	-172.7	58.1	36.4	0	0	111.5	D241 T242 A247 K248 D249	D241-Q245 WeakPolarHBondContact O-CB 3.14Å; D241-Q245 PolarHBondContact O-N 2.97Å; T242-Q245 PolarHBondContact O-N 2.92Å; Q245-A247 VanDerWaalsContact C-N 3.28Å; Q245-A247 PolarHBondContact O-N 3.16Å; Q245-K248 WeakPolarHBondContact O-CB 3.38Å; Q245-K248 PolarHBondContact O-N 3.04Å; Q245-D249 PolarHBondContact NE2-OD1 2.95Å; Q245-D249 PolarHBondContact NE2-OD2 3.25Å; Q245-D249 PolarHBondContact O-N 3.12Å
246	I	92.3	Very high	91.3	Very high	10 Å²	10	32.7 Å²	32.7	5%	0.051	19%	0.191	C	C	.	.	H	α-helix	trans	-56.3	-42.6	171.9	-69.7	165.2	0	0	0	111	T242 Q243 D249 A250 L383 L426 L429 L432	T242-I246 WeakPolarHBondContact O-CG1 3.37Å; T242-I246 PolarHBondContact O-N 3.33Å; Q243-I246 PolarHBondContact O-N 3.13Å; I246-D249 PolarHBondContact O-N 2.98Å; I246-A250 WeakPolarHBondContact O-CB 3.49Å; I246-A250 PolarHBondContact O-N 3.29Å; I246-L383 HydrophobicContact CB-CD2 4.49Å; I246-L383 HydrophobicContact CG2-CD2 3.93Å; I246-L426 HydrophobicContact CG2-CB 3.8Å; I246-L426 HydrophobicContact CG2-CD1 4.24Å; I246-L429 HydrophobicContact CB-CD2 4.32Å; I246-L429 HydrophobicContact CG1-CD2 3.63Å; I246-L429 HydrophobicContact CG1-CG 4.18Å; I246-L432 HydrophobicContact CG2-CD2 4.26Å
247	A	93.9	Very high	91.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.9	-40	176.8	0	0	0	0	0	113.1	Q243 L244 Q245 A251 L344 L383	Q243-A247 WeakPolarHBondContact O-CB 3.27Å; Q243-A247 PolarHBondContact O-N 3.36Å; L244-A247 WeakPolarHBondContact O-CB 3.2Å; L244-A247 PolarHBondContact O-N 3.45Å; Q245-A247 VanDerWaalsContact C-N 3.28Å; Q245-A247 PolarHBondContact O-N 3.16Å; A247-A251 WeakPolarHBondContact O-CB 3.49Å; A247-A251 PolarHBondContact O-N 3.49Å; A247-L344 HydrophobicContact CB-CB 4.22Å; A247-L344 HydrophobicContact CB-CD1 4.43Å; A247-L344 WeakPolarHBondContact O-CD1 3.24Å; A247-L383 HydrophobicContact CB-CD1 3.8Å; A247-L383 HydrophobicContact CB-CD2 3.92Å
248	K	94.9	Very high	91.5	Very high	25 Å²	25	29.4 Å²	29.4	11%	0.109	17%	0.165	C	C	.	.	H	α-helix	trans	-62.3	-45.2	175.2	-74	177.9	177.1	-173.7	0	112.2	L244 Q245 A251 Q252 V301 S302 V304	L244-K248 WeakPolarHBondContact O-CG 3.43Å; L244-K248 PolarHBondContact O-N 2.92Å; Q245-K248 WeakPolarHBondContact O-CB 3.38Å; Q245-K248 PolarHBondContact O-N 3.04Å; K248-A251 PolarHBondContact O-N 3Å; K248-Q252 WeakPolarHBondContact O-CG 3.28Å; K248-Q252 PolarHBondContact O-N 3.36Å; K248-Q252 PolarHBondContact O-NE2 3Å; K248-Q252 VanDerWaalsContact O-NE2 3.13Å; K248-V301 HydrophobicContact CB-CG1 3.83Å; K248-V301 WeakPolarHBondContact CE-O 3.26Å; K248-V301 HydrophobicContact CG-CG1 3.98Å; K248-V301 WeakPolarHBondContact CG-O 3.24Å; K248-V301 WeakPolarHBondContact O-CG1 3.24Å; K248-S302 PolarHBondContact NZ-O 3.16Å; K248-V304 WeakPolarHBondContact CE-O 3.45Å; K248-V304 PolarHBondContact NZ-O 3.27Å
249	D	93.3	Very high	91.9	Very high	40 Å²	40	28.6 Å²	28.6	21%	0.214	16%	0.158	C	C	.	.	H	α-helix	trans	-74.8	-35.5	-176.1	-62.5	-24.4	0	0	0	110.4	Q245 I246 A251 Q252 V253 L429 L432	Q245-D249 PolarHBondContact NE2-OD1 2.95Å; Q245-D249 PolarHBondContact NE2-OD2 3.25Å; Q245-D249 PolarHBondContact O-N 3.12Å; I246-D249 PolarHBondContact O-N 2.98Å; D249-A251 PolarHBondContact O-N 2.95Å; D249-Q252 PolarHBondContact O-N 3.14Å; D249-Q252 PolarHBondContact OD1-NE2 2.57Å; D249-V253 WeakPolarHBondContact O-CG2 3.43Å; D249-V253 PolarHBondContact O-N 2.96Å; D249-L429 HydrophobicContact CB-CD2 4.33Å; D249-L432 HydrophobicContact CB-CD1 3.75Å
250	A	94.1	Very high	91.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.5	-43.5	168.1	0	0	0	0	0	112.4	I246 V253 I254 L344 L426 L432 V436	I246-A250 WeakPolarHBondContact O-CB 3.49Å; I246-A250 PolarHBondContact O-N 3.29Å; A250-V253 PolarHBondContact O-N 3.27Å; A250-I254 WeakPolarHBondContact O-CG1 3.47Å; A250-I254 PolarHBondContact O-N 3.06Å; A250-L344 HydrophobicContact CB-CD1 4.34Å; A250-L344 HydrophobicContact CB-CD2 4.23Å; A250-L426 HydrophobicContact CB-CD1 4.09Å; A250-L432 HydrophobicContact CB-CD2 4.47Å; A250-V436 HydrophobicContact CB-CG1 4.19Å; A250-V436 HydrophobicContact CB-CG2 3.95Å
251	A	95.1	Very high	91.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66.8	-34.7	176.8	0	0	0	0	0	112.9	V231 L233 A247 K248 D249 I254 L255 V301 L344	V231-A251 HydrophobicContact CG1-CB 4.28Å; L233-A251 HydrophobicContact CD1-CB 3.99Å; L233-A251 HydrophobicContact CD2-CB 4.19Å; L233-A251 HydrophobicContact CG-CB 4.42Å; A247-A251 WeakPolarHBondContact O-CB 3.49Å; A247-A251 PolarHBondContact O-N 3.49Å; K248-A251 PolarHBondContact O-N 3Å; D249-A251 PolarHBondContact O-N 2.95Å; A251-I254 PolarHBondContact O-N 3.43Å; A251-L255 WeakPolarHBondContact O-CG 3.44Å; A251-L255 PolarHBondContact O-N 3.05Å; A251-V301 HydrophobicContact CB-CG1 4.04Å; A251-V301 HydrophobicContact CB-CG2 4.16Å; A251-L344 HydrophobicContact CB-CD1 4.08Å
252	Q	94.3	Very high	91.7	Very high	64 Å²	64	24 Å²	24	30%	0.299	13%	0.127	S	C	.	.	H	α-helix	trans	-64.9	-42.4	171.5	-74.5	167.4	78.8	0	0	111.9	K248 D249 I254 L255 S256 V301	K248-Q252 WeakPolarHBondContact O-CG 3.28Å; K248-Q252 PolarHBondContact O-N 3.36Å; K248-Q252 PolarHBondContact O-NE2 3Å; K248-Q252 VanDerWaalsContact O-NE2 3.13Å; D249-Q252 PolarHBondContact O-N 3.14Å; D249-Q252 PolarHBondContact OD1-NE2 2.57Å; Q252-I254 VanDerWaalsContact C-N 3.34Å; Q252-I254 PolarHBondContact O-N 2.92Å; Q252-L255 PolarHBondContact O-N 3.01Å; Q252-S256 PolarHBondContact O-N 2.72Å; Q252-V301 HydrophobicContact CG-CG1 4.4Å
253	V	93.4	Very high	91.8	Very high	19 Å²	19	21.9 Å²	21.9	12%	0.115	11%	0.112	C	C	.	.	H	α-helix	trans	-58	-45.7	173.8	169.1	0	0	0	0	110.9	D249 A250 L255 S256 A257 L432 E433 V436	D249-V253 WeakPolarHBondContact O-CG2 3.43Å; D249-V253 PolarHBondContact O-N 2.96Å; A250-V253 PolarHBondContact O-N 3.27Å; V253-L255 PolarHBondContact O-N 3.45Å; V253-S256 PolarHBondContact O-N 3.3Å; V253-S256 VanDerWaalsContact O-N 3.16Å; V253-S256 PolarHBondContact O-OG 2.85Å; V253-A257 WeakPolarHBondContact O-CB 3.08Å; V253-A257 PolarHBondContact O-N 2.92Å; V253-A257 VanDerWaalsContact O-N 3.15Å; V253-L432 HydrophobicContact CG2-CB 4.29Å; V253-E433 HydrophobicContact CG2-CG 4.36Å; V253-V436 HydrophobicContact CG1-CB 4.35Å
254	I	93.8	Very high	92	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.9	-47	177	-62.7	160.7	0	0	0	111.1	V231 A250 A251 Q252 S256 A257 I264 I342 V436	V231-I254 HydrophobicContact CG1-CD1 4Å; V231-I254 HydrophobicContact CG2-CB 4.46Å; V231-I254 HydrophobicContact CG2-CD1 4.2Å; V231-I254 HydrophobicContact CG2-CG2 3.8Å; A250-I254 WeakPolarHBondContact O-CG1 3.47Å; A250-I254 PolarHBondContact O-N 3.06Å; A251-I254 PolarHBondContact O-N 3.43Å; Q252-I254 VanDerWaalsContact C-N 3.34Å; Q252-I254 PolarHBondContact O-N 2.92Å; I254-S256 PolarHBondContact O-N 2.92Å; I254-A257 PolarHBondContact O-N 3.39Å; I254-A257 VanDerWaalsContact O-N 3.12Å; I254-I264 HydrophobicContact CG2-CD1 4.34Å; I254-I342 HydrophobicContact CD1-CB 4.41Å; I254-I342 HydrophobicContact CD1-CD1 3.9Å; I254-I342 HydrophobicContact CD1-CG2 3.76Å; I254-I342 HydrophobicContact CG1-CD1 4.27Å; I254-I342 HydrophobicContact CG2-CD1 4.07Å; I254-V436 HydrophobicContact CD1-CG1 3.69Å; I254-V436 HydrophobicContact CG1-CG1 3.53Å
255	L	93.4	Very high	92	Very high	7 Å²	7	21 Å²	21	4%	0.037	11%	0.107	C	C	.	.	H	α-helix	trans	-60.4	-28.1	177.4	-75.8	163.4	0	0	0	113	A251 Q252 V253 I264 V266 K294 M297 V301	A251-L255 WeakPolarHBondContact O-CG 3.44Å; A251-L255 PolarHBondContact O-N 3.05Å; Q252-L255 PolarHBondContact O-N 3.01Å; V253-L255 PolarHBondContact O-N 3.45Å; L255-I264 HydrophobicContact CD2-CD1 3.84Å; L255-I264 HydrophobicContact CD2-CG2 4.49Å; L255-I264 HydrophobicContact CG-CD1 4.49Å; L255-V266 HydrophobicContact CD2-CG2 4.33Å; L255-K294 WeakPolarHBondContact O-CE 3.24Å; L255-M297 HydrophobicContact CD1-CB 3.88Å; L255-M297 HydrophobicContact CD2-CB 3.72Å; L255-M297 HydrophobicContact CD2-CG 4.46Å; L255-M297 HydrophobicContact CD2-SD 3.97Å; L255-M297 HydrophobicContact CG-CB 4.49Å; L255-V301 HydrophobicContact CD1-CG2 4.45Å
256	S	91.3	Very high	92.2	Very high	62 Å²	62	17.2 Å²	17.2	43%	0.434	9%	0.09	S	C	.	.	H	α-helix	trans	-84.1	-17.5	177.5	76.6	0	0	0	0	114.6	P216 Q252 V253 I254	P216-S256 VanDerWaalsContact CD-O 3.28Å; P216-S256 WeakPolarHBondContact CD-O 3.48Å; P216-S256 VanDerWaalsContact CG-O 3.24Å; P216-S256 WeakPolarHBondContact CG-O 3.4Å; Q252-S256 PolarHBondContact O-N 2.72Å; V253-S256 PolarHBondContact O-N 3.3Å; V253-S256 VanDerWaalsContact O-N 3.16Å; V253-S256 PolarHBondContact O-OG 2.85Å; I254-S256 PolarHBondContact O-N 2.92Å
257	A	91.4	Very high	92.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-97	-10.9	-170.5	0	0	0	0	0	114.7	S214 P216 V219 V253 I254 F439	S214-A257 VanDerWaalsContact O-CA 3.26Å; S214-A257 WeakPolarHBondContact O-CA 3.45Å; S214-A257 WeakPolarHBondContact O-CB 3.29Å; P216-A257 WeakPolarHBondContact CA-O 3.42Å; V219-A257 VanDerWaalsContact CG2-O 3.28Å; V219-A257 WeakPolarHBondContact CG2-O 3.46Å; V253-A257 WeakPolarHBondContact O-CB 3.08Å; V253-A257 PolarHBondContact O-N 2.92Å; V253-A257 VanDerWaalsContact O-N 3.15Å; I254-A257 PolarHBondContact O-N 3.39Å; I254-A257 VanDerWaalsContact O-N 3.12Å; A257-F439 HydrophobicContact CB-CE1 4.26Å
258	I	91.1	Very high	92.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.088	C	C	.	.			trans	-94.1	150.4	-178.4	61.4	-176.8	0	0	0	111.8	P216 I229 D262 I264 A289 K294 F439	P216-I258 WeakPolarHBondContact CG-O 3.35Å; I229-I258 HydrophobicContact CD1-CG2 3.59Å; I258-D262 HydrophobicContact CB-CB 4.26Å; I258-I264 HydrophobicContact CD1-CB 3.88Å; I258-I264 HydrophobicContact CD1-CD1 3.61Å; I258-I264 HydrophobicContact CD1-CG1 4.35Å; I258-I264 HydrophobicContact CD1-CG2 3.82Å; I258-A289 HydrophobicContact CD1-CB 3.55Å; I258-A289 HydrophobicContact CG1-CB 3.99Å; I258-K294 WeakPolarHBondContact O-CE 3.05Å; I258-K294 PolarHBondContact O-NZ 2.94Å; I258-F439 HydrophobicContact CG2-CE1 4.46Å; I258-F439 HydrophobicContact CG2-CZ 4.07Å
259	D	88.4	Confident	92.4	Very high	13 Å²	13	15.7 Å²	15.7	7%	0.07	8%	0.083	C	C	.	.			trans	-84.6	178.1	175.5	60.5	57.7	0	0	0	112.2	P216 K227 H261 D262 A289	P216-D259 HydrophobicContact CB-CB 4.46Å; K227-D259 IonicContact NZ-OD2 3.01Å; K227-D259 PolarHBondContact NZ-OD2 3.35Å; D259-H261 VanDerWaalsContact C-N 3.32Å; D259-H261 WeakPolarHBondContact OD1-CA 3.32Å; D259-H261 WeakPolarHBondContact OD1-CB 3.45Å; D259-H261 PolarHBondContact OD1-N 2.78Å; D259-D262 VanDerWaalsContact OD1-CG 3.3Å; D259-D262 PolarHBondContact OD1-N 2.7Å; D259-A289 WeakPolarHBondContact O-CB 3.45Å
260	E	85.4	Confident	92.3	Very high	31 Å²	31	13.8 Å²	13.8	15%	0.145	7%	0.073	C	C	.	.	S	Bend	trans	-81.5	-8.6	-179.5	-72.4	56	-129.5	0	0	113.7	K294 L455 Y515	E260-K294 IonicContact OE1-NZ 3.54Å; E260-K294 PolarHBondContact OE1-NZ 3.28Å; E260-L455 HydrophobicContact CB-CD1 3.82Å; E260-L455 HydrophobicContact CG-CD1 4.23Å; E260-Y515 HydrophobicContact CB-CE2 4.4Å; E260-Y515 WeakPolarHBondContact O-CE2 3.27Å; E260-Y515 PolarHBondContact O-OH 3.02Å
261	H	86.1	Confident	92.1	Very high	53 Å²	53	16.2 Å²	16.2	25%	0.245	9%	0.086	C	C	.	.	S	Bend	trans	-91	-22.3	176.3	-57.2	129.5	0	0	0	111.8	D259 D511 Y515	D259-H261 VanDerWaalsContact C-N 3.32Å; D259-H261 WeakPolarHBondContact OD1-CA 3.32Å; D259-H261 WeakPolarHBondContact OD1-CB 3.45Å; D259-H261 PolarHBondContact OD1-N 2.78Å; H261-D511 IonicContact CD2-OD2 3.6Å; H261-D511 IonicContact CE1-OD2 2.73Å; H261-D511 IonicContact NE2-OD2 3.44Å; H261-D511 PolarHBondContact NE2-OD2 3.19Å; H261-Y515 AromaticContact CD2-CD2 3.96Å; H261-Y515 AromaticContact CD2-CE2 3.76Å; H261-Y515 AromaticContact NE2-CD2 3.96Å
262	D	90.2	Very high	91.8	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	11%	0.106	C	C	.	.	S	Bend	trans	-66.7	156.6	168.1	-69.4	-21	0	0	0	112.9	K227 I258 D259 A289	K227-D262 HydrophobicContact CB-CB 4.46Å; K227-D262 VanDerWaalsContact CB-OD1 3.3Å; K227-D262 WeakPolarHBondContact CB-OD1 3.47Å; K227-D262 WeakPolarHBondContact CD-OD2 3.39Å; K227-D262 PolarHBondContact N-OD1 2.71Å; K227-D262 IonicContact NZ-OD1 2.91Å; K227-D262 PolarHBondContact NZ-OD1 3.12Å; K227-D262 IonicContact NZ-OD2 2.8Å; K227-D262 PolarHBondContact NZ-OD2 3.15Å; I258-D262 HydrophobicContact CB-CB 4.26Å; D259-D262 VanDerWaalsContact OD1-CG 3.3Å; D259-D262 PolarHBondContact OD1-N 2.7Å; D262-A289 WeakPolarHBondContact O-CB 3.48Å; D262-A289 PolarHBondContact O-N 3.02Å
263	K	90.7	Very high	91.7	Very high	37 Å²	37	18.3 Å²	18.3	16%	0.161	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	139.4	170.3	-52.7	-179.8	-167.1	138.3	0	110.7	K227 H228 I229 L286 S287 T327	K227-K263 PolarHBondContact O-N 3.23Å; H228-K263 PolarHBondContact NE2-NZ 3.25Å; H228-K263 VanDerWaalsContact NE2-NZ 3.18Å; I229-K263 PolarHBondContact N-O 3.08Å; K263-L286 HydrophobicContact CB-CB 3.83Å; K263-S287 CarbonylContact C-O 3.6Å; K263-S287 WeakPolarHBondContact CA-O 3.39Å; K263-T327 HydrophobicContact CD-CG2 3.98Å
264	I	93.6	Very high	91.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	153.6	-176.9	-172	155.6	0	0	0	111.9	I229 V231 I254 L255 I258 S287 A289 M297	I229-I264 HydrophobicContact CB-CG1 4.47Å; I229-I264 HydrophobicContact CG2-CD1 4.16Å; I229-I264 HydrophobicContact CG2-CG1 4.35Å; I229-I264 CarbonylContact O-C 3.51Å; I229-I264 VanDerWaalsContact O-CA 3.27Å; I229-I264 WeakPolarHBondContact O-CA 3.49Å; V231-I264 HydrophobicContact CG2-CD1 3.94Å; I254-I264 HydrophobicContact CG2-CD1 4.34Å; L255-I264 HydrophobicContact CD2-CD1 3.84Å; L255-I264 HydrophobicContact CD2-CG2 4.49Å; L255-I264 HydrophobicContact CG-CD1 4.49Å; I258-I264 HydrophobicContact CD1-CB 3.88Å; I258-I264 HydrophobicContact CD1-CD1 3.61Å; I258-I264 HydrophobicContact CD1-CG1 4.35Å; I258-I264 HydrophobicContact CD1-CG2 3.82Å; I264-S287 PolarHBondContact N-O 3.27Å; I264-S287 PolarHBondContact O-N 3.16Å; I264-S287 PolarHBondContact O-OG 3.49Å; I264-A289 HydrophobicContact CG2-CB 3.99Å; I264-M297 HydrophobicContact CG1-SD 4.42Å; I264-M297 HydrophobicContact CG2-CE 4.3Å; I264-M297 HydrophobicContact CG2-SD 3.76Å
265	S	93.9	Very high	91.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	150.7	156.1	-168.4	0	0	0	0	110.4	I229 V230 V231	I229-S265 PolarHBondContact O-N 2.86Å; V230-S265 WeakPolarHBondContact CA-O 3.41Å; V231-S265 PolarHBondContact N-O 3.31Å
266	V	95.3	Very high	90.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.9	177	-176.2	0	0	0	0	109.2	V231 L233 L255 M297 F300 V301	V231-V266 HydrophobicContact CB-CG2 4.34Å; V231-V266 WeakPolarHBondContact O-CA 3.43Å; L233-V266 HydrophobicContact CD1-CG1 3.64Å; L255-V266 HydrophobicContact CD2-CG2 4.33Å; V266-M297 HydrophobicContact CB-SD 4.49Å; V266-M297 HydrophobicContact CG2-CB 4.18Å; V266-M297 HydrophobicContact CG2-CG 4.26Å; V266-M297 HydrophobicContact CG2-SD 3.78Å; V266-F300 HydrophobicContact CG1-CD1 4.25Å; V266-F300 HydrophobicContact CG1-CE1 4.19Å; V266-V301 HydrophobicContact CG1-CG2 3.83Å
267	L	95.9	Very high	90.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	145.2	178.8	-59.4	-179.1	0	0	0	110	V230 V231 I232 L233 V273 R274 T275 K319 A320 L323	V230-L267 HydrophobicContact CG1-CD1 3.81Å; V230-L267 HydrophobicContact CG1-CG 4.07Å; V231-L267 PolarHBondContact O-N 3Å; I232-L267 WeakPolarHBondContact CA-O 3.43Å; I232-L267 HydrophobicContact CG1-CD1 4.49Å; L233-L267 PolarHBondContact N-O 3.32Å; L267-V273 HydrophobicContact CB-CG1 4.2Å; L267-V273 HydrophobicContact CD1-CG1 4.2Å; L267-V273 HydrophobicContact CD2-CG1 4.15Å; L267-V273 HydrophobicContact CG-CG1 4.42Å; L267-R274 WeakPolarHBondContact CA-O 3.45Å; L267-T275 HydrophobicContact CD2-CG2 3.62Å; L267-K319 HydrophobicContact CD1-CB 4.3Å; L267-K319 HydrophobicContact CD1-CG 4.23Å; L267-A320 HydrophobicContact CD1-CB 4.17Å; L267-L323 HydrophobicContact CD1-CD1 4.35Å; L267-L323 HydrophobicContact CD2-CD1 4.08Å; L267-L323 HydrophobicContact CG-CD1 4.5Å
268	T	95	Very high	89.7	Confident	3 Å²	3	29.8 Å²	29.8	2%	0.018	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	146.1	162.9	80.8	0	0	0	0	110.3	L233 H235 V273 R274 F300 V304	L233-T268 HydrophobicContact CB-CG2 4.3Å; L233-T268 CarbonylContact O-C 3.6Å; L233-T268 VanDerWaalsContact O-CA 3.29Å; L233-T268 WeakPolarHBondContact O-CA 3.36Å; H235-T268 VanDerWaalsContact CD2-CB 3.45Å; H235-T268 WeakPolarHBondContact CD2-CB 3.42Å; H235-T268 PolarHBondContact CD2-OG1 3.47Å; H235-T268 PolarHBondContact NE2-OG1 2.86Å; T268-V273 CarbonylContact O-C 3.56Å; T268-V273 WeakPolarHBondContact O-CA 3.42Å; T268-R274 PolarHBondContact N-O 3.08Å; T268-R274 PolarHBondContact O-N 3.07Å; T268-F300 HydrophobicContact CG2-CE1 3.76Å; T268-F300 HydrophobicContact CG2-CZ 3.73Å; T268-V304 HydrophobicContact CG2-CG1 4.14Å; T268-V304 HydrophobicContact CG2-CG2 3.65Å
269	V	94.6	Very high	89	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	127.3	-175.2	-170.6	0	0	0	0	110.9	I232 L233 H235 V273 T311	I232-V269 HydrophobicContact CG2-CG2 3.51Å; L233-V269 PolarHBondContact O-N 3.45Å; H235-V269 VanDerWaalsContact CD2-C 3.42Å; H235-V269 PolarHBondContact CD2-N 2.92Å; H235-V269 PolarHBondContact CD2-O 2.7Å; H235-V269 PolarHBondContact N-O 3.18Å; V269-V273 HydrophobicContact CG1-CG2 4.44Å; V269-V273 HydrophobicContact CG2-CG1 4.49Å; V269-V273 HydrophobicContact CG2-CG2 4.3Å; V269-T311 HydrophobicContact CB-CG2 4.25Å; V269-T311 HydrophobicContact CG1-CG2 3.85Å
270	A	91.8	Very high	88.5	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-135.1	-119.2	162.2	0	0	0	0	0	107.5	T272 P310 Q312	A270-T272 PolarHBondContact N-O 2.87Å; A270-T272 PolarHBondContact O-N 3.4Å; A270-P310 CarbonylContact C-O 3.54Å; A270-P310 VanDerWaalsContact C-O 3.22Å; A270-Q312 PolarHBondContact O-N 3.42Å
271	D	89.3	Confident	88.2	Confident	51 Å²	51	38.4 Å²	38.4	27%	0.273	20%	0.196	S	C	.	.	S	Bend	trans	-59.5	-31	164	45.6	26.9	0	0	0	113.2	S309 P310 Q312	D271-S309 WeakPolarHBondContact OD2-CB 3.48Å; D271-S309 PolarHBondContact OD2-OG 3.42Å; D271-P310 PolarHBondContact N-O 3.17Å; D271-Q312 PolarHBondContact O-NE2 3.45Å
272	T	89.2	Confident	88.1	Confident	69 Å²	69	35.9 Å²	35.9	42%	0.423	19%	0.185	S	C	.	.	S	Bend	trans	-133.3	151.2	-169.6	50.1	0	0	0	0	109.7	A270	A270-T272 PolarHBondContact N-O 2.87Å; A270-T272 PolarHBondContact O-N 3.4Å
273	V	92.3	Very high	87.9	Confident	38 Å²	38	39.2 Å²	39.2	23%	0.23	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	123.3	174	-174.4	0	0	0	0	109.2	L267 T268 V269 V315 K319	L267-V273 HydrophobicContact CB-CG1 4.2Å; L267-V273 HydrophobicContact CD1-CG1 4.2Å; L267-V273 HydrophobicContact CD2-CG1 4.15Å; L267-V273 HydrophobicContact CG-CG1 4.42Å; T268-V273 CarbonylContact O-C 3.56Å; T268-V273 WeakPolarHBondContact O-CA 3.42Å; V269-V273 HydrophobicContact CG1-CG2 4.44Å; V269-V273 HydrophobicContact CG2-CG1 4.49Å; V269-V273 HydrophobicContact CG2-CG2 4.3Å; V273-V315 HydrophobicContact CG2-CB 4.19Å; V273-V315 HydrophobicContact CG2-CG1 3.79Å; V273-K319 HydrophobicContact CG1-CB 4.06Å; V273-K319 HydrophobicContact CG1-CG 3.99Å; V273-K319 HydrophobicContact CG2-CB 4.47Å
274	R	92.1	Very high	87.6	Confident	127 Å²	127	39.5 Å²	39.5	48%	0.479	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	137.8	179.3	-55.1	-177.8	-174.9	-176.8	3.4	110.5	L267 T268	L267-R274 WeakPolarHBondContact CA-O 3.45Å; T268-R274 PolarHBondContact N-O 3.08Å; T268-R274 PolarHBondContact O-N 3.07Å
275	T	88.8	Confident	87.4	Confident	20 Å²	20	42.8 Å²	42.8	12%	0.123	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	157.7	177.2	44	0	0	0	0	111	L267 S277 Y282 K283 F300	L267-T275 HydrophobicContact CD2-CG2 3.62Å; T275-S277 PolarHBondContact O-N 3.09Å; T275-S277 PolarHBondContact OG1-O 3.06Å; T275-Y282 WeakPolarHBondContact CG2-O 3.3Å; T275-K283 HydrophobicContact CG2-CG 4.49Å; T275-F300 WeakPolarHBondContact O-CE2 3.45Å
276	C	83.5	Confident	87.2	Confident	14 Å²	14	43.1 Å²	43.1	10%	0.095	22%	0.22	C	C	.	.	S	Bend	trans	-47.2	-32.9	177.8	-177.2	0	0	0	0	114.9	Y282 M297 F300	C276-Y282 HydrophobicContact CB-CD1 4.42Å; C276-M297 HydrophobicContact CB-CG 4.27Å; C276-F300 HydrophobicContact CB-CB 4.47Å; C276-F300 HydrophobicContact CB-CD1 4.11Å; C276-F300 HydrophobicContact CB-CE1 4.5Å; C276-F300 HydrophobicContact CB-CG 4.22Å
277	S	81.3	Confident	86.9	Confident	28 Å²	28	43.1 Å²	43.1	20%	0.196	22%	0.22	C	C	.	.			trans	-140.8	168	170.5	-168.7	0	0	0	0	111.4	T275 D279	T275-S277 PolarHBondContact O-N 3.09Å; T275-S277 PolarHBondContact OG1-O 3.06Å; S277-D279 VanDerWaalsContact C-N 3.28Å; S277-D279 WeakPolarHBondContact CB-OD2 3.3Å; S277-D279 PolarHBondContact OG-OD2 3.18Å
278	L	75.2	Confident	86.5	Confident	141 Å²	141	44.4 Å²	44.4	74%	0.738	23%	0.229	S	C	*	.	S	Bend	trans	-78.6	-11.6	171.1	-66.1	176	0	0	0	112.9	K283	L278-K283 WeakPolarHBondContact O-CE 3.5Å; L278-K283 PolarHBondContact O-NZ 2.93Å
279	D	75.7	Confident	86.2	Confident	74 Å²	74	44.2 Å²	44.2	40%	0.396	23%	0.228	S	C	.	.	S	Bend	trans	-58.6	139.6	-179.4	-46.1	-49.5	0	0	0	111.4	S277 C281 Y282 K283 K296	S277-D279 VanDerWaalsContact C-N 3.28Å; S277-D279 WeakPolarHBondContact CB-OD2 3.3Å; S277-D279 PolarHBondContact OG-OD2 3.18Å; D279-C281 PolarHBondContact O-N 3.15Å; D279-C281 VanDerWaalsContact O-N 3.11Å; D279-Y282 HydrophobicContact CB-CD2 4.2Å; D279-Y282 PolarHBondContact O-N 2.78Å; D279-K283 PolarHBondContact O-N 3.26Å; D279-K296 IonicContact OD2-NZ 2.71Å
280	Q	77.9	Confident	85.7	Confident	130 Å²	130	45 Å²	45	61%	0.607	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.9	-174.4	-172.2	60.2	16.9	0	0	112.9	K283 T284	Q280-K283 WeakPolarHBondContact O-CB 3.41Å; Q280-K283 PolarHBondContact O-N 2.87Å; Q280-T284 PolarHBondContact NE2-OG1 2.85Å; Q280-T284 WeakPolarHBondContact O-CB 2.97Å; Q280-T284 PolarHBondContact O-N 3.26Å; Q280-T284 PolarHBondContact O-OG1 2.7Å
281	C	80.1	Confident	85.1	Confident	20 Å²	20	47.7 Å²	47.7	14%	0.135	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-49.6	177.5	179.5	0	0	0	0	112.6	D279 K283 T284 F285 C982 T983	D279-C281 PolarHBondContact O-N 3.15Å; D279-C281 VanDerWaalsContact O-N 3.11Å; C281-K283 PolarHBondContact O-N 2.9Å; C281-T284 CarbonylContact O-C 3.6Å; C281-T284 PolarHBondContact O-N 2.77Å; C281-F285 PolarHBondContact O-N 2.89Å; C281-C982 HydrophobicContact CB-CB 3.55Å; C281-C982 WeakPolarHBondContact CB-SG 3.22Å; C281-C982 WeakPolarHBondContact SG-CB 3.48Å; C281-C982 CovalentContact SG-SG 2.03Å; C281-C982 PolarHBondContact SG-SG 3.01Å; C281-T983 VanDerWaalsContact SG-CG2 3.6Å
282	Y	84.3	Confident	84.6	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-21.2	178.9	-70.4	-72.4	0	0	0	113	T275 C276 D279 T284 M297 E981 C982	T275-Y282 WeakPolarHBondContact CG2-O 3.3Å; C276-Y282 HydrophobicContact CB-CD1 4.42Å; D279-Y282 HydrophobicContact CB-CD2 4.2Å; D279-Y282 PolarHBondContact O-N 2.78Å; Y282-T284 VanDerWaalsContact C-N 3.34Å; Y282-M297 HydrophobicContact CD1-CE 4.27Å; Y282-M297 HydrophobicContact CE1-CE 3.91Å; Y282-E981 WeakPolarHBondContact OH-CB 3.44Å; Y282-E981 PolarHBondContact OH-O 3.06Å; Y282-C982 HydrophobicContact CD1-CB 4.04Å; Y282-C982 HydrophobicContact CD2-CB 3.83Å; Y282-C982 HydrophobicContact CE1-CB 3.81Å; Y282-C982 HydrophobicContact CE2-CB 3.63Å; Y282-C982 HydrophobicContact CG-CB 4.06Å; Y282-C982 PolarHBondContact N-SG 3.45Å; Y282-C982 PolarHBondContact OH-N 2.83Å
283	K	84.8	Confident	84.4	Confident	71 Å²	71	44.1 Å²	44.1	31%	0.309	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-13.4	171.1	-69.3	169.1	172	163.9	0	113.5	T275 L278 D279 Q280 C281 K319	T275-K283 HydrophobicContact CG2-CG 4.49Å; L278-K283 WeakPolarHBondContact O-CE 3.5Å; L278-K283 PolarHBondContact O-NZ 2.93Å; D279-K283 PolarHBondContact O-N 3.26Å; Q280-K283 WeakPolarHBondContact O-CB 3.41Å; Q280-K283 PolarHBondContact O-N 2.87Å; C281-K283 PolarHBondContact O-N 2.9Å; K283-K319 VanDerWaalsContact O-CE 3.32Å; K283-K319 WeakPolarHBondContact O-CE 3.36Å; K283-K319 PolarHBondContact O-NZ 2.93Å
284	T	85.8	Confident	84.1	Confident	44 Å²	44	43.6 Å²	43.6	27%	0.27	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.6	-32.8	-170.1	-55	0	0	0	0	114.1	Q280 C281 Y282 L323 S326	Q280-T284 PolarHBondContact NE2-OG1 2.85Å; Q280-T284 WeakPolarHBondContact O-CB 2.97Å; Q280-T284 PolarHBondContact O-N 3.26Å; Q280-T284 PolarHBondContact O-OG1 2.7Å; C281-T284 CarbonylContact O-C 3.6Å; C281-T284 PolarHBondContact O-N 2.77Å; Y282-T284 VanDerWaalsContact C-N 3.34Å; T284-L323 VanDerWaalsContact C-CD2 3.42Å; T284-S326 VanDerWaalsContact O-CB 3.27Å; T284-S326 WeakPolarHBondContact O-CB 3.21Å; T284-S326 PolarHBondContact O-OG 3.41Å
285	F	88.3	Confident	83.9	Confident	68 Å²	68	46.5 Å²	46.5	30%	0.298	23%	0.234	S	C	.	.	S	Bend	trans	-133.6	165.6	-173.8	-56.1	-72.5	0	0	0	113	C281 N330	C281-F285 PolarHBondContact O-N 2.89Å; F285-N330 VanDerWaalsContact CE1-ND2 3.29Å; F285-N330 WeakPolarHBondContact CE1-ND2 3.37Å
286	L	90.2	Very high	83.8	Confident	7 Å²	7	47.7 Å²	47.7	4%	0.037	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-81.8	135.2	163.7	-53.1	-179.7	0	0	0	109.6	H228 V230 K263 L323 I324 T327	H228-L286 HydrophobicContact CB-CD1 3.67Å; V230-L286 HydrophobicContact CG2-CD2 3.61Å; K263-L286 HydrophobicContact CB-CB 3.83Å; L286-L323 HydrophobicContact CD2-CB 3.81Å; L286-I324 HydrophobicContact CD1-CG1 4.34Å; L286-T327 HydrophobicContact CB-CG2 4.24Å; L286-T327 HydrophobicContact CG-CG2 4.48Å; L286-T327 PolarHBondContact N-OG1 3.48Å
287	S	89.4	Confident	84.2	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	143.2	179.3	47.4	0	0	0	0	111.9	K263 I264 T293 M297 C982	K263-S287 CarbonylContact C-O 3.6Å; K263-S287 WeakPolarHBondContact CA-O 3.39Å; I264-S287 PolarHBondContact N-O 3.27Å; I264-S287 PolarHBondContact O-N 3.16Å; I264-S287 PolarHBondContact O-OG 3.49Å; S287-T293 VanDerWaalsContact OG-CG2 3.31Å; S287-T293 WeakPolarHBondContact OG-CG2 3.42Å; S287-M297 WeakPolarHBondContact OG-CE 3.1Å; S287-C982 VanDerWaalsContact CA-O 3.29Å; S287-C982 WeakPolarHBondContact CA-O 3.45Å; S287-C982 WeakPolarHBondContact CB-O 3.44Å
288	P	87.8	Confident	84.8	Confident	27 Å²	27	47.5 Å²	47.5	18%	0.175	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	138.5	170.9	-22	33.3	0	0	0	111.4	T290 T293 C982	P288-T290 HydrophobicContact CB-CG2 4.3Å; P288-T290 PolarHBondContact O-N 2.86Å; P288-T293 VanDerWaalsContact O-CB 3.29Å; P288-T293 WeakPolarHBondContact O-CB 3.36Å; P288-T293 WeakPolarHBondContact O-CG2 3.49Å; P288-T293 PolarHBondContact O-OG1 3.29Å; P288-C982 VanDerWaalsContact CD-O 3.3Å; P288-C982 WeakPolarHBondContact CD-O 3.46Å
289	A	88.6	Confident	85.6	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.			trans	-80.9	48.6	-172.9	0	0	0	0	0	113.3	I258 D259 D262 I264 K294	I258-A289 HydrophobicContact CD1-CB 3.55Å; I258-A289 HydrophobicContact CG1-CB 3.99Å; D259-A289 WeakPolarHBondContact O-CB 3.45Å; D262-A289 WeakPolarHBondContact O-CB 3.48Å; D262-A289 PolarHBondContact O-N 3.02Å; I264-A289 HydrophobicContact CG2-CB 3.99Å; A289-K294 WeakPolarHBondContact O-CD 3.38Å; A289-K294 WeakPolarHBondContact O-CE 3.1Å; A289-K294 PolarHBondContact O-NZ 2.88Å
290	T	83.2	Confident	86.5	Confident	15 Å²	15	42.7 Å²	42.7	9%	0.092	21%	0.212	C	C	.	.			trans	-67.1	164.5	175.1	80	0	0	0	0	111.8	P288 E292 T293 K294	P288-T290 HydrophobicContact CB-CG2 4.3Å; P288-T290 PolarHBondContact O-N 2.86Å; T290-E292 PolarHBondContact O-N 3.07Å; T290-E292 PolarHBondContact OG1-N 2.93Å; T290-E292 PolarHBondContact OG1-OE2 3.43Å; T290-T293 PolarHBondContact O-N 3.26Å; T290-T293 VanDerWaalsContact O-N 3.16Å; T290-T293 PolarHBondContact OG1-N 3.43Å; T290-T293 PolarHBondContact OG1-OG1 2.73Å; T290-K294 WeakPolarHBondContact O-CB 3.31Å; T290-K294 WeakPolarHBondContact O-CG 3.48Å; T290-K294 PolarHBondContact O-N 3.25Å
291	S	79.7	Confident	87.3	Confident	57 Å²	57	36.5 Å²	36.5	40%	0.399	18%	0.183	S	C	.	.	H	α-helix	trans	-53	-38.7	176.2	-72.3	0	0	0	0	113.2	R295	S291-R295 WeakPolarHBondContact O-CB 3.38Å; S291-R295 PolarHBondContact O-N 3.41Å
292	E	77.7	Confident	88	Confident	44 Å²	44	38.4 Å²	38.4	21%	0.206	20%	0.196	C	C	.	.	H	α-helix	trans	-67.7	-48.6	178.4	-68.5	58.4	-131.7	0	0	110.8	T290 R295 K296 L533 R896 E981	T290-E292 PolarHBondContact O-N 3.07Å; T290-E292 PolarHBondContact OG1-N 2.93Å; T290-E292 PolarHBondContact OG1-OE2 3.43Å; E292-R295 PolarHBondContact O-N 2.97Å; E292-K296 WeakPolarHBondContact O-CB 3.42Å; E292-K296 PolarHBondContact O-N 3.48Å; E292-L533 VanDerWaalsContact CD-CD2 3.46Å; E292-L533 HydrophobicContact CG-CD2 4.41Å; E292-L533 VanDerWaalsContact OE1-CD2 3.24Å; E292-L533 WeakPolarHBondContact OE1-CD2 3.35Å; E292-R896 IonicContact OE1-CZ 2.58Å; E292-R896 IonicContact OE1-NH1 3.56Å; E292-R896 PolarHBondContact OE1-NH1 2.94Å; E292-E981 HydrophobicContact CB-CG 4.45Å
293	T	84.9	Confident	88.4	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-58.9	-49.6	175.6	-50.9	0	0	0	0	111.2	S287 P288 T290 R295 K296 M297 E981	S287-T293 VanDerWaalsContact OG-CG2 3.31Å; S287-T293 WeakPolarHBondContact OG-CG2 3.42Å; P288-T293 VanDerWaalsContact O-CB 3.29Å; P288-T293 WeakPolarHBondContact O-CB 3.36Å; P288-T293 WeakPolarHBondContact O-CG2 3.49Å; P288-T293 PolarHBondContact O-OG1 3.29Å; T290-T293 PolarHBondContact O-N 3.26Å; T290-T293 VanDerWaalsContact O-N 3.16Å; T290-T293 PolarHBondContact OG1-N 3.43Å; T290-T293 PolarHBondContact OG1-OG1 2.73Å; T293-R295 VanDerWaalsContact C-N 3.34Å; T293-R295 PolarHBondContact O-N 3.04Å; T293-K296 PolarHBondContact O-N 3.1Å; T293-M297 HydrophobicContact CG2-CE 3.71Å; T293-M297 HydrophobicContact CG2-SD 4.11Å; T293-M297 WeakPolarHBondContact O-CB 3.39Å; T293-M297 WeakPolarHBondContact O-CG 3.45Å; T293-M297 PolarHBondContact O-N 3.1Å; T293-E981 PolarHBondContact OG1-O 3.39Å; T293-E981 VanDerWaalsContact OG1-O 3.05Å
294	K	87.9	Confident	88.8	Confident	27 Å²	27	41.1 Å²	41.1	12%	0.117	22%	0.215	C	C	.	.	H	α-helix	trans	-56.3	-46.6	176.5	-74.5	167.6	168.9	167.1	0	111	L255 I258 E260 A289 T290 M297 S298	L255-K294 WeakPolarHBondContact O-CE 3.24Å; I258-K294 WeakPolarHBondContact O-CE 3.05Å; I258-K294 PolarHBondContact O-NZ 2.94Å; E260-K294 IonicContact OE1-NZ 3.54Å; E260-K294 PolarHBondContact OE1-NZ 3.28Å; A289-K294 WeakPolarHBondContact O-CD 3.38Å; A289-K294 WeakPolarHBondContact O-CE 3.1Å; A289-K294 PolarHBondContact O-NZ 2.88Å; T290-K294 WeakPolarHBondContact O-CB 3.31Å; T290-K294 WeakPolarHBondContact O-CG 3.48Å; T290-K294 PolarHBondContact O-N 3.25Å; K294-M297 PolarHBondContact O-N 2.92Å; K294-S298 WeakPolarHBondContact O-CB 3.24Å; K294-S298 PolarHBondContact O-N 3.1Å
295	R	86.4	Confident	89.1	Confident	189 Å²	189	46.7 Å²	46.7	71%	0.713	24%	0.235	S	C	*	.	H	α-helix	trans	-64.3	-43.2	178	-173.4	177.9	-174.7	171.5	5.4	112.7	S291 E292 T293 T299	S291-R295 WeakPolarHBondContact O-CB 3.38Å; S291-R295 PolarHBondContact O-N 3.41Å; E292-R295 PolarHBondContact O-N 2.97Å; T293-R295 VanDerWaalsContact C-N 3.34Å; T293-R295 PolarHBondContact O-N 3.04Å; R295-T299 WeakPolarHBondContact O-CB 3.44Å; R295-T299 PolarHBondContact O-N 3.44Å; R295-T299 PolarHBondContact O-OG1 2.84Å
296	K	87.1	Confident	89.2	Confident	45 Å²	45	46.3 Å²	46.3	20%	0.196	24%	0.241	C	C	.	.	H	α-helix	trans	-67	-42.8	177.4	-177.1	167.5	173.9	-177.8	0	111.8	D279 E292 T293 T299 F300 E981	D279-K296 IonicContact OD2-NZ 2.71Å; E292-K296 WeakPolarHBondContact O-CB 3.42Å; E292-K296 PolarHBondContact O-N 3.48Å; T293-K296 PolarHBondContact O-N 3.1Å; K296-T299 CarbonylContact O-C 3.52Å; K296-T299 WeakPolarHBondContact O-CB 3.46Å; K296-T299 PolarHBondContact O-N 2.89Å; K296-F300 PolarHBondContact O-N 3.08Å; K296-E981 HydrophobicContact CD-CB 4.31Å; K296-E981 VanDerWaalsContact CD-CD 3.45Å; K296-E981 HydrophobicContact CD-CG 4.46Å; K296-E981 WeakPolarHBondContact CD-OE2 3.31Å; K296-E981 WeakPolarHBondContact CE-OE2 3.27Å; K296-E981 IonicContact NZ-OE2 2.68Å; K296-E981 PolarHBondContact NZ-OE2 2.97Å
297	M	91.8	Very high	89.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.5	-40.7	175.5	-72.1	-175.6	-179.2	0	0	112.7	L255 I264 V266 C276 Y282 S287 T293 K294 T299 F300 V301	L255-M297 HydrophobicContact CD1-CB 3.88Å; L255-M297 HydrophobicContact CD2-CB 3.72Å; L255-M297 HydrophobicContact CD2-CG 4.46Å; L255-M297 HydrophobicContact CD2-SD 3.97Å; L255-M297 HydrophobicContact CG-CB 4.49Å; I264-M297 HydrophobicContact CG1-SD 4.42Å; I264-M297 HydrophobicContact CG2-CE 4.3Å; I264-M297 HydrophobicContact CG2-SD 3.76Å; V266-M297 HydrophobicContact CB-SD 4.49Å; V266-M297 HydrophobicContact CG2-CB 4.18Å; V266-M297 HydrophobicContact CG2-CG 4.26Å; V266-M297 HydrophobicContact CG2-SD 3.78Å; C276-M297 HydrophobicContact CB-CG 4.27Å; Y282-M297 HydrophobicContact CD1-CE 4.27Å; Y282-M297 HydrophobicContact CE1-CE 3.91Å; S287-M297 WeakPolarHBondContact OG-CE 3.1Å; T293-M297 HydrophobicContact CG2-CE 3.71Å; T293-M297 HydrophobicContact CG2-SD 4.11Å; T293-M297 WeakPolarHBondContact O-CB 3.39Å; T293-M297 WeakPolarHBondContact O-CG 3.45Å; T293-M297 PolarHBondContact O-N 3.1Å; K294-M297 PolarHBondContact O-N 2.92Å; M297-T299 VanDerWaalsContact C-N 3.31Å; M297-T299 PolarHBondContact O-N 3.45Å; M297-F300 WeakPolarHBondContact O-CB 3.48Å; M297-F300 PolarHBondContact O-N 2.9Å; M297-V301 WeakPolarHBondContact O-CB 3.28Å; M297-V301 VanDerWaalsContact O-CG2 3.3Å; M297-V301 WeakPolarHBondContact O-CG2 3.36Å; M297-V301 PolarHBondContact O-N 3.49Å
298	S	93.4	Very high	89.2	Confident	38 Å²	38	54.8 Å²	54.8	27%	0.266	29%	0.288	S	S	.	.	H	α-helix	trans	-61.5	-39.5	172	178.3	0	0	0	0	112	K294 V301 S302	K294-S298 WeakPolarHBondContact O-CB 3.24Å; K294-S298 PolarHBondContact O-N 3.1Å; S298-V301 PolarHBondContact O-N 3.5Å; S298-S302 PolarHBondContact O-N 3.17Å; S298-S302 PolarHBondContact O-OG 2.84Å; S298-S302 VanDerWaalsContact O-OG 3.12Å
299	T	93	Very high	89.2	Confident	74 Å²	74	55 Å²	55	45%	0.454	29%	0.29	S	S	.	.	H	α-helix	trans	-65.3	-38.2	173.7	-53.6	0	0	0	0	112	R295 K296 M297 S302 N303	R295-T299 WeakPolarHBondContact O-CB 3.44Å; R295-T299 PolarHBondContact O-N 3.44Å; R295-T299 PolarHBondContact O-OG1 2.84Å; K296-T299 CarbonylContact O-C 3.52Å; K296-T299 WeakPolarHBondContact O-CB 3.46Å; K296-T299 PolarHBondContact O-N 2.89Å; M297-T299 VanDerWaalsContact C-N 3.31Å; M297-T299 PolarHBondContact O-N 3.45Å; T299-S302 PolarHBondContact O-OG 3.02Å; T299-S302 VanDerWaalsContact O-OG 3.12Å; T299-N303 PolarHBondContact O-N 2.9Å; T299-N303 PolarHBondContact O-ND2 3.2Å
300	F	93.7	Very high	89.1	Confident	40 Å²	40	59.2 Å²	59.2	18%	0.175	32%	0.317	C	S	.	.	H	α-helix	trans	-64.4	-50.7	173.5	170.2	-111.2	0	0	0	111.3	V266 T268 T275 C276 K296 M297 S302 N303 V304	V266-F300 HydrophobicContact CG1-CD1 4.25Å; V266-F300 HydrophobicContact CG1-CE1 4.19Å; T268-F300 HydrophobicContact CG2-CE1 3.76Å; T268-F300 HydrophobicContact CG2-CZ 3.73Å; T275-F300 WeakPolarHBondContact O-CE2 3.45Å; C276-F300 HydrophobicContact CB-CB 4.47Å; C276-F300 HydrophobicContact CB-CD1 4.11Å; C276-F300 HydrophobicContact CB-CE1 4.5Å; C276-F300 HydrophobicContact CB-CG 4.22Å; K296-F300 PolarHBondContact O-N 3.08Å; M297-F300 WeakPolarHBondContact O-CB 3.48Å; M297-F300 PolarHBondContact O-N 2.9Å; F300-S302 PolarHBondContact O-N 3.02Å; F300-N303 PolarHBondContact O-N 2.91Å; F300-V304 WeakPolarHBondContact O-CG2 3.25Å; F300-V304 PolarHBondContact O-N 2.74Å
301	V	95.3	Very high	89.4	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-56.7	-48.1	179.5	167.2	0	0	0	0	112	L233 K248 A251 Q252 L255 V266 M297 S298 N303 V304	L233-V301 HydrophobicContact CD2-CG1 4.25Å; K248-V301 HydrophobicContact CB-CG1 3.83Å; K248-V301 WeakPolarHBondContact CE-O 3.26Å; K248-V301 HydrophobicContact CG-CG1 3.98Å; K248-V301 WeakPolarHBondContact CG-O 3.24Å; K248-V301 WeakPolarHBondContact O-CG1 3.24Å; A251-V301 HydrophobicContact CB-CG1 4.04Å; A251-V301 HydrophobicContact CB-CG2 4.16Å; Q252-V301 HydrophobicContact CG-CG1 4.4Å; L255-V301 HydrophobicContact CD1-CG2 4.45Å; V266-V301 HydrophobicContact CG1-CG2 3.83Å; M297-V301 WeakPolarHBondContact O-CB 3.28Å; M297-V301 VanDerWaalsContact O-CG2 3.3Å; M297-V301 WeakPolarHBondContact O-CG2 3.36Å; M297-V301 PolarHBondContact O-N 3.49Å; S298-V301 PolarHBondContact O-N 3.5Å; V301-N303 VanDerWaalsContact C-N 3.25Å; V301-N303 PolarHBondContact O-N 3.17Å; V301-V304 WeakPolarHBondContact O-CB 3.44Å; V301-V304 WeakPolarHBondContact O-CG2 3.37Å; V301-V304 PolarHBondContact O-N 2.94Å
302	S	94	Very high	90	Very high	59 Å²	59	61.2 Å²	61.2	41%	0.413	32%	0.32	S	S	.	.	H	α-helix	trans	-62.3	-33.5	-179.2	57.8	0	0	0	0	112.7	K248 S298 T299 F300	K248-S302 PolarHBondContact NZ-O 3.16Å; S298-S302 PolarHBondContact O-N 3.17Å; S298-S302 PolarHBondContact O-OG 2.84Å; S298-S302 VanDerWaalsContact O-OG 3.12Å; T299-S302 PolarHBondContact O-OG 3.02Å; T299-S302 VanDerWaalsContact O-OG 3.12Å; F300-S302 PolarHBondContact O-N 3.02Å
303	N	94.4	Very high	90.6	Very high	116 Å²	116	59.4 Å²	59.4	62%	0.62	31%	0.312	S	S	*	.	H	α-helix	trans	-80.7	-7.1	179.4	-78.2	-64.1	0	0	0	115.4	T299 F300 V301	T299-N303 PolarHBondContact O-N 2.9Å; T299-N303 PolarHBondContact O-ND2 3.2Å; F300-N303 PolarHBondContact O-N 2.91Å; V301-N303 VanDerWaalsContact C-N 3.25Å; V301-N303 PolarHBondContact O-N 3.17Å
304	V	93.1	Very high	90.9	Very high	12 Å²	12	60.3 Å²	60.3	7%	0.073	32%	0.32	C	S	.	.			trans	-60.1	145.5	176.6	-176.7	0	0	0	0	110.8	H235 L244 K248 T268 F300 V301	H235-V304 HydrophobicContact CB-CG1 3.97Å; L244-V304 HydrophobicContact CD1-CG1 4.18Å; K248-V304 WeakPolarHBondContact CE-O 3.45Å; K248-V304 PolarHBondContact NZ-O 3.27Å; T268-V304 HydrophobicContact CG2-CG1 4.14Å; T268-V304 HydrophobicContact CG2-CG2 3.65Å; F300-V304 WeakPolarHBondContact O-CG2 3.25Å; F300-V304 PolarHBondContact O-N 2.74Å; V301-V304 WeakPolarHBondContact O-CB 3.44Å; V301-V304 WeakPolarHBondContact O-CG2 3.37Å; V301-V304 PolarHBondContact O-N 2.94Å
305	K	92.1	Very high	91.2	Very high	162 Å²	162	61.7 Å²	61.7	70%	0.704	33%	0.33	S	S	*	.			trans	-131.1	153.2	174.2	-63.2	-174.6	-178.7	-178.1	0	110.5	H235	H235-K305 PolarHBondContact ND1-O 2.81Å
306	S	90.4	Very high	91.5	Very high	59 Å²	59	52.8 Å²	52.8	41%	0.413	30%	0.297	S	S	.	.			trans	-52.5	145	166.7	24.5	0	0	0	0	110.1	D241	D241-S306 PolarHBondContact OD1-OG 2.9Å
307	S	90.3	Very high	92	Very high	20 Å²	20	50.6 Å²	50.6	14%	0.14	29%	0.288	C	S	.	.			trans	-124	139	-177.4	-170.7	0	0	0	0	109.8	H235 G236 A237 S309	H235-S307 WeakPolarHBondContact O-CB 3.4Å; H235-S307 PolarHBondContact O-N 3.36Å; G236-S307 CarbonylContact C-O 3.59Å; A237-S307 WeakPolarHBondContact CA-O 3.26Å; A237-S307 WeakPolarHBondContact CB-O 3.34Å; A237-S307 PolarHBondContact N-O 3.36Å; S307-S309 PolarHBondContact O-N 3.06Å
308	D	88.3	Confident	92.1	Very high	165 Å²	165	54.2 Å²	54.2	88%	0.882	31%	0.305	S	S	*	.	S	Bend	trans	-71.8	-8.5	178.9	-55.9	-62.6	0	0	0	113.3	A237	A237-D308 WeakPolarHBondContact CB-O 3.25Å
309	S	88.3	Confident	92.2	Very high	33 Å²	33	54.9 Å²	54.9	23%	0.231	30%	0.302	C	S	.	.	S	Bend	trans	-84.9	147.7	177.3	-59.8	0	0	0	0	113.4	G236 A237 D271 S307	G236-S309 CarbonylContact C-O 3.55Å; G236-S309 WeakPolarHBondContact CA-O 3.33Å; A237-S309 PolarHBondContact N-O 2.92Å; D271-S309 WeakPolarHBondContact OD2-CB 3.48Å; D271-S309 PolarHBondContact OD2-OG 3.42Å; S307-S309 PolarHBondContact O-N 3.06Å
310	P	86.9	Confident	92.3	Very high	87 Å²	87	51.3 Å²	51.3	57%	0.565	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-71.8	153.8	173.9	31.4	-36	0	0	0	112.8	A270 D271	A270-P310 CarbonylContact C-O 3.54Å; A270-P310 VanDerWaalsContact C-O 3.22Å; D271-P310 PolarHBondContact N-O 3.17Å
311	T	89.4	Confident	92.4	Very high	15 Å²	15	49.5 Å²	49.5	9%	0.092	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-82.1	119.4	-174.1	-51	0	0	0	0	113.3	D234 G236 V269 H313	D234-T311 WeakPolarHBondContact OD1-CB 3.42Å; D234-T311 WeakPolarHBondContact OD1-CG2 3.34Å; D234-T311 PolarHBondContact OD1-OG1 2.86Å; G236-T311 WeakPolarHBondContact CA-OG1 3.33Å; V269-T311 HydrophobicContact CB-CG2 4.25Å; V269-T311 HydrophobicContact CG1-CG2 3.85Å; T311-H313 PolarHBondContact O-CD2 3.48Å; T311-H313 PolarHBondContact O-N 3.3Å; T311-H313 VanDerWaalsContact O-N 3.17Å
312	Q	90.9	Very high	92.3	Very high	99 Å²	99	52.5 Å²	52.5	46%	0.463	29%	0.287	S	S	.	.			trans	-87.5	74.5	174.5	-62.5	-167.3	26.2	0	0	111.8	A270 D271 A314 V315 G316	A270-Q312 PolarHBondContact O-N 3.42Å; D271-Q312 PolarHBondContact O-NE2 3.45Å; Q312-A314 VanDerWaalsContact C-N 3.27Å; Q312-A314 PolarHBondContact O-N 2.86Å; Q312-A314 VanDerWaalsContact O-N 3.15Å; Q312-V315 HydrophobicContact CB-CB 4.38Å; Q312-V315 HydrophobicContact CB-CG2 4.05Å; Q312-V315 PolarHBondContact O-N 3.31Å; Q312-V315 VanDerWaalsContact O-N 3.1Å; Q312-G316 PolarHBondContact O-N 2.84Å
313	H	90.8	Very high	92.3	Very high	6 Å²	6	49.7 Å²	49.7	3%	0.028	27%	0.267	C	S	.	.	H	α-helix	trans	-48.4	-45.1	-176.7	-47.4	-76.8	0	0	0	113.2	T311 V315 G316 F317 Y343 T361	T311-H313 PolarHBondContact O-CD2 3.48Å; T311-H313 PolarHBondContact O-N 3.3Å; T311-H313 VanDerWaalsContact O-N 3.17Å; H313-V315 PolarHBondContact O-N 2.87Å; H313-G316 PolarHBondContact O-N 3.4Å; H313-F317 WeakPolarHBondContact O-CD2 3.34Å; H313-F317 PolarHBondContact O-N 2.95Å; H313-F317 VanDerWaalsContact O-N 3.07Å; H313-Y343 AromaticContact ND1-CZ 3.92Å; H313-Y343 PolarHBondContact ND1-OH 3.12Å; H313-T361 HydrophobicContact CB-CG2 3.9Å
314	A	91.9	Very high	92.2	Very high	21 Å²	21	44.1 Å²	44.1	17%	0.174	24%	0.238	C	C	.	.	H	α-helix	trans	-57.5	-43.1	-179.2	0	0	0	0	0	113.3	Q312 F317 Q318 T361 V364	Q312-A314 VanDerWaalsContact C-N 3.27Å; Q312-A314 PolarHBondContact O-N 2.86Å; Q312-A314 VanDerWaalsContact O-N 3.15Å; A314-F317 PolarHBondContact O-N 3.42Å; A314-Q318 WeakPolarHBondContact O-CB 3.5Å; A314-Q318 PolarHBondContact O-N 3.27Å; A314-T361 PolarHBondContact N-OG1 3.38Å; A314-V364 HydrophobicContact CB-CG2 4.27Å
315	V	93.3	Very high	92.1	Very high	56 Å²	56	46.7 Å²	46.7	34%	0.339	25%	0.246	S	C	.	.	H	α-helix	trans	-70.2	-36.1	-179.7	-170.9	0	0	0	0	110.7	V273 Q312 H313 Q318 K319	V273-V315 HydrophobicContact CG2-CB 4.19Å; V273-V315 HydrophobicContact CG2-CG1 3.79Å; Q312-V315 HydrophobicContact CB-CB 4.38Å; Q312-V315 HydrophobicContact CB-CG2 4.05Å; Q312-V315 PolarHBondContact O-N 3.31Å; Q312-V315 VanDerWaalsContact O-N 3.1Å; H313-V315 PolarHBondContact O-N 2.87Å; V315-Q318 PolarHBondContact O-N 3.42Å; V315-K319 WeakPolarHBondContact O-CB 3.29Å; V315-K319 PolarHBondContact O-N 2.9Å
316	G	93.8	Very high	91.9	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-57.4	-52	172.3	0	0	0	0	0	112.8	Q312 H313 K319 A320	Q312-G316 PolarHBondContact O-N 2.84Å; H313-G316 PolarHBondContact O-N 3.4Å; G316-K319 PolarHBondContact O-N 3.31Å; G316-A320 PolarHBondContact O-N 2.94Å; G316-A320 VanDerWaalsContact O-N 3.09Å
317	F	96.3	Very high	91.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.7	-44.6	175.8	-80	-73.8	0	0	0	112.1	I232 H313 A314 K319 A320 F321 I341 Y343 T361 I365 I378 L400	I232-F317 HydrophobicContact CD1-CD1 4.38Å; I232-F317 HydrophobicContact CD1-CE1 4.45Å; H313-F317 WeakPolarHBondContact O-CD2 3.34Å; H313-F317 PolarHBondContact O-N 2.95Å; H313-F317 VanDerWaalsContact O-N 3.07Å; A314-F317 PolarHBondContact O-N 3.42Å; F317-K319 PolarHBondContact O-N 3.45Å; F317-A320 PolarHBondContact O-N 3.43Å; F317-A320 VanDerWaalsContact O-N 3.13Å; F317-F321 HydrophobicContact CD1-CE2 4.47Å; F317-F321 VanDerWaalsContact O-CD2 3.27Å; F317-F321 WeakPolarHBondContact O-CD2 3.35Å; F317-F321 PolarHBondContact O-N 2.91Å; F317-I341 HydrophobicContact CD1-CD1 4.46Å; F317-I341 HydrophobicContact CD1-CG2 4.29Å; F317-I341 HydrophobicContact CE1-CG2 3.92Å; F317-Y343 HydrophobicContact CE1-CD2 4.5Å; F317-Y343 HydrophobicContact CE2-CD1 4.31Å; F317-Y343 AromaticContact CE2-CD2 3.96Å; F317-Y343 HydrophobicContact CE2-CD2 3.96Å; F317-Y343 HydrophobicContact CE2-CE1 4.37Å; F317-Y343 HydrophobicContact CE2-CE2 4.11Å; F317-Y343 HydrophobicContact CE2-CG 4.14Å; F317-Y343 HydrophobicContact CZ-CD1 4.03Å; F317-Y343 AromaticContact CZ-CD2 3.74Å; F317-Y343 HydrophobicContact CZ-CD2 3.74Å; F317-Y343 HydrophobicContact CZ-CE2 4.35Å; F317-Y343 AromaticContact CZ-CG 3.63Å; F317-Y343 HydrophobicContact CZ-CG 3.63Å; F317-T361 HydrophobicContact CD2-CG2 3.75Å; F317-T361 HydrophobicContact CE2-CG2 4.13Å; F317-I365 HydrophobicContact CB-CG1 4.03Å; F317-I365 HydrophobicContact CD1-CD1 4.04Å; F317-I365 HydrophobicContact CD1-CG1 4Å; F317-I365 HydrophobicContact CD2-CD1 4.04Å; F317-I365 HydrophobicContact CD2-CG1 4.41Å; F317-I365 HydrophobicContact CE1-CD1 4.22Å; F317-I365 HydrophobicContact CE2-CD1 4.22Å; F317-I365 HydrophobicContact CG-CD1 3.95Å; F317-I365 HydrophobicContact CG-CG1 3.89Å; F317-I365 HydrophobicContact CZ-CD1 4.3Å; F317-I378 HydrophobicContact CD1-CD1 4.3Å; F317-I378 HydrophobicContact CE1-CD1 3.97Å; F317-I378 HydrophobicContact CE1-CG2 3.92Å; F317-I378 HydrophobicContact CZ-CG2 4.29Å; F317-L400 HydrophobicContact CE2-CD1 4.25Å; F317-L400 HydrophobicContact CZ-CD1 4.47Å
318	Q	95.4	Very high	91.3	Very high	76 Å²	76	39.2 Å²	39.2	36%	0.355	21%	0.21	S	C	.	.	H	α-helix	trans	-54	-44.6	176.9	-158.2	-173.2	13.6	0	0	111.2	A314 V315 Q322 V364 E368	A314-Q318 WeakPolarHBondContact O-CB 3.5Å; A314-Q318 PolarHBondContact O-N 3.27Å; V315-Q318 PolarHBondContact O-N 3.42Å; Q318-Q322 VanDerWaalsContact O-CG 3.27Å; Q318-Q322 WeakPolarHBondContact O-CG 3.09Å; Q318-Q322 PolarHBondContact O-N 2.87Å; Q318-Q322 VanDerWaalsContact O-N 3.1Å; Q318-V364 HydrophobicContact CB-CG1 3.68Å; Q318-V364 HydrophobicContact CG-CG1 4.05Å; Q318-E368 HydrophobicContact CG-CG 4.25Å; Q318-E368 VanDerWaalsContact CG-OE1 3.3Å; Q318-E368 WeakPolarHBondContact CG-OE1 3.28Å
319	K	95	Very high	90.6	Very high	51 Å²	51	37.3 Å²	37.3	22%	0.222	20%	0.2	C	C	.	.	H	α-helix	trans	-68.8	-37.3	-179.1	-169.5	55.8	-179.4	172.3	0	112.8	L267 V273 K283 V315 G316 F317 Q322 L323	L267-K319 HydrophobicContact CD1-CB 4.3Å; L267-K319 HydrophobicContact CD1-CG 4.23Å; V273-K319 HydrophobicContact CG1-CB 4.06Å; V273-K319 HydrophobicContact CG1-CG 3.99Å; V273-K319 HydrophobicContact CG2-CB 4.47Å; K283-K319 VanDerWaalsContact O-CE 3.32Å; K283-K319 WeakPolarHBondContact O-CE 3.36Å; K283-K319 PolarHBondContact O-NZ 2.93Å; V315-K319 WeakPolarHBondContact O-CB 3.29Å; V315-K319 PolarHBondContact O-N 2.9Å; G316-K319 PolarHBondContact O-N 3.31Å; F317-K319 PolarHBondContact O-N 3.45Å; K319-Q322 PolarHBondContact O-N 2.9Å; K319-L323 WeakPolarHBondContact O-CG 3.2Å; K319-L323 PolarHBondContact O-N 3.43Å
320	A	95.8	Very high	89.4	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.9	-49.1	175.6	0	0	0	0	0	112.2	V230 I232 L267 G316 F317 Q322 L323 I324 I341	V230-A320 HydrophobicContact CB-CB 4.16Å; V230-A320 HydrophobicContact CG1-CB 3.7Å; V230-A320 HydrophobicContact CG2-CB 4.41Å; I232-A320 HydrophobicContact CD1-CB 3.76Å; I232-A320 HydrophobicContact CG1-CB 4.44Å; L267-A320 HydrophobicContact CD1-CB 4.17Å; G316-A320 PolarHBondContact O-N 2.94Å; G316-A320 VanDerWaalsContact O-N 3.09Å; F317-A320 PolarHBondContact O-N 3.43Å; F317-A320 VanDerWaalsContact O-N 3.13Å; A320-Q322 VanDerWaalsContact C-N 3.32Å; A320-Q322 PolarHBondContact O-N 2.9Å; A320-L323 PolarHBondContact O-N 3.37Å; A320-I324 PolarHBondContact O-N 3.47Å; A320-I341 HydrophobicContact CB-CD1 3.92Å; A320-I341 HydrophobicContact CB-CG1 4.3Å
321	F	95.5	Very high	88	Confident	1 Å²	1	38.9 Å²	38.9	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-61.5	-38.3	176.8	-79.8	-75.2	0	0	0	112.8	F317 L323 I324 R325 I341 I365 E368 N369 L372 V376 I378	F317-F321 HydrophobicContact CD1-CE2 4.47Å; F317-F321 VanDerWaalsContact O-CD2 3.27Å; F317-F321 WeakPolarHBondContact O-CD2 3.35Å; F317-F321 PolarHBondContact O-N 2.91Å; F321-L323 VanDerWaalsContact C-N 3.34Å; F321-L323 PolarHBondContact O-N 2.95Å; F321-I324 PolarHBondContact O-N 2.86Å; F321-R325 WeakPolarHBondContact O-CB 3.48Å; F321-R325 PolarHBondContact O-N 3.3Å; F321-I341 HydrophobicContact CD1-CD1 4.37Å; F321-I341 HydrophobicContact CD2-CD1 4.03Å; F321-I341 HydrophobicContact CE1-CD1 4.14Å; F321-I341 HydrophobicContact CE2-CD1 3.75Å; F321-I341 HydrophobicContact CG-CD1 4.31Å; F321-I341 HydrophobicContact CZ-CD1 3.81Å; F321-I365 HydrophobicContact CE2-CB 4.39Å; F321-I365 HydrophobicContact CE2-CG1 4.17Å; F321-I365 HydrophobicContact CE2-CG2 4.35Å; F321-I365 HydrophobicContact CZ-CG2 4.32Å; F321-E368 HydrophobicContact CB-CB 3.57Å; F321-E368 HydrophobicContact CB-CG 4.27Å; F321-E368 HydrophobicContact CD1-CB 4.2Å; F321-E368 HydrophobicContact CD2-CB 3.84Å; F321-E368 HydrophobicContact CG-CB 3.62Å; F321-N369 HydrophobicContact CD1-CB 4.43Å; F321-N369 HydrophobicContact CE1-CB 3.52Å; F321-N369 HydrophobicContact CZ-CB 3.77Å; F321-L372 HydrophobicContact CD1-CD1 4.07Å; F321-V376 HydrophobicContact CD1-CG2 4.14Å; F321-V376 HydrophobicContact CE1-CB 3.71Å; F321-V376 HydrophobicContact CE1-CG1 3.94Å; F321-V376 HydrophobicContact CE1-CG2 3.71Å; F321-V376 HydrophobicContact CZ-CB 4.38Å; F321-V376 HydrophobicContact CZ-CG1 4.37Å; F321-I378 HydrophobicContact CZ-CD1 4.34Å
322	Q	93.5	Very high	85.9	Confident	63 Å²	63	47.4 Å²	47.4	29%	0.294	24%	0.238	S	C	.	.	H	α-helix	trans	-58.4	-42.3	175.2	-75.3	171	13.1	0	0	112.7	Q318 K319 A320 S326	Q318-Q322 VanDerWaalsContact O-CG 3.27Å; Q318-Q322 WeakPolarHBondContact O-CG 3.09Å; Q318-Q322 PolarHBondContact O-N 2.87Å; Q318-Q322 VanDerWaalsContact O-N 3.1Å; K319-Q322 PolarHBondContact O-N 2.9Å; A320-Q322 VanDerWaalsContact C-N 3.32Å; A320-Q322 PolarHBondContact O-N 2.9Å; Q322-S326 WeakPolarHBondContact O-CB 3.43Å; Q322-S326 PolarHBondContact O-N 2.9Å; Q322-S326 VanDerWaalsContact O-N 3.09Å; Q322-S326 PolarHBondContact O-OG 2.9Å
323	L	92.7	Very high	83.8	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-68.1	-35.3	178.6	-66.4	176.5	0	0	0	112.9	L267 T284 L286 K319 A320 F321 S326 T327	L267-L323 HydrophobicContact CD1-CD1 4.35Å; L267-L323 HydrophobicContact CD2-CD1 4.08Å; L267-L323 HydrophobicContact CG-CD1 4.5Å; T284-L323 VanDerWaalsContact C-CD2 3.42Å; L286-L323 HydrophobicContact CD2-CB 3.81Å; K319-L323 WeakPolarHBondContact O-CG 3.2Å; K319-L323 PolarHBondContact O-N 3.43Å; A320-L323 PolarHBondContact O-N 3.37Å; F321-L323 VanDerWaalsContact C-N 3.34Å; F321-L323 PolarHBondContact O-N 2.95Å; L323-S326 PolarHBondContact O-OG 3.26Å; L323-T327 WeakPolarHBondContact O-CB 3.49Å; L323-T327 PolarHBondContact O-N 3.25Å; L323-T327 PolarHBondContact O-OG1 2.91Å
324	I	92.4	Very high	82	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-68.7	-48	175.8	-62.7	169.2	0	0	0	109.7	V230 L286 A320 F321 T327 N328 M339 I341 L372 V376	V230-I324 HydrophobicContact CG2-CD1 4.11Å; V230-I324 HydrophobicContact CG2-CG1 3.92Å; L286-I324 HydrophobicContact CD1-CG1 4.34Å; A320-I324 PolarHBondContact O-N 3.47Å; F321-I324 PolarHBondContact O-N 2.86Å; I324-T327 PolarHBondContact O-N 2.9Å; I324-N328 WeakPolarHBondContact O-CB 3.49Å; I324-N328 PolarHBondContact O-N 2.83Å; I324-M339 HydrophobicContact CG2-CB 4.41Å; I324-M339 HydrophobicContact CG2-CG 3.86Å; I324-M339 HydrophobicContact CG2-SD 3.53Å; I324-M339 VanDerWaalsContact CG2-SD 3.53Å; I324-I341 HydrophobicContact CD1-CD1 4.2Å; I324-I341 HydrophobicContact CD1-CG1 3.89Å; I324-L372 HydrophobicContact CB-CD1 4.18Å; I324-L372 HydrophobicContact CG2-CD1 3.7Å; I324-V376 HydrophobicContact CD1-CG1 4.09Å; I324-V376 HydrophobicContact CD1-CG2 4.39Å
325	R	90.4	Very high	80.1	Confident	65 Å²	65	60 Å²	60	25%	0.245	31%	0.308	C	S	.	.	H	α-helix	trans	-62.4	-45.5	-178.1	-180	172.8	61.1	-143.3	-11.1	113.5	F321 T327 N328 N329 E368 L372	F321-R325 WeakPolarHBondContact O-CB 3.48Å; F321-R325 PolarHBondContact O-N 3.3Å; R325-T327 VanDerWaalsContact C-N 3.32Å; R325-T327 PolarHBondContact O-N 3.44Å; R325-N328 PolarHBondContact O-N 3.3Å; R325-N329 VanDerWaalsContact O-CG 3.3Å; R325-N329 PolarHBondContact O-N 2.91Å; R325-N329 VanDerWaalsContact O-N 3.11Å; R325-E368 IonicContact CZ-OE2 3.19Å; R325-E368 VanDerWaalsContact CZ-OE2 3.28Å; R325-E368 IonicContact NH1-OE2 3.58Å; R325-E368 PolarHBondContact NH1-OE2 3.27Å; R325-E368 IonicContact NH2-OE1 2.72Å; R325-E368 IonicContact NH2-OE2 3.54Å; R325-E368 PolarHBondContact NH2-OE2 2.99Å; R325-E368 VanDerWaalsContact NH2-OE2 3.09Å; R325-L372 HydrophobicContact CB-CD2 4.14Å; R325-L372 HydrophobicContact CG-CD2 4.43Å
326	S	89.3	Confident	79	Confident	26 Å²	26	61 Å²	61	18%	0.182	31%	0.311	C	S	.	.	H	α-helix	trans	-62.6	-39.2	177.4	55.7	0	0	0	0	112.5	T284 Q322 L323	T284-S326 VanDerWaalsContact O-CB 3.27Å; T284-S326 WeakPolarHBondContact O-CB 3.21Å; T284-S326 PolarHBondContact O-OG 3.41Å; Q322-S326 WeakPolarHBondContact O-CB 3.43Å; Q322-S326 PolarHBondContact O-N 2.9Å; Q322-S326 VanDerWaalsContact O-N 3.09Å; Q322-S326 PolarHBondContact O-OG 2.9Å; L323-S326 PolarHBondContact O-OG 3.26Å
327	T	86.6	Confident	78.6	Confident	8 Å²	8	62 Å²	62	5%	0.049	32%	0.317	C	S	.	.	H	α-helix	trans	-67.3	-46.9	178.5	-56	0	0	0	0	110.6	K263 L286 L323 I324 R325 N329 N330 T331	K263-T327 HydrophobicContact CD-CG2 3.98Å; L286-T327 HydrophobicContact CB-CG2 4.24Å; L286-T327 HydrophobicContact CG-CG2 4.48Å; L286-T327 PolarHBondContact N-OG1 3.48Å; L323-T327 WeakPolarHBondContact O-CB 3.49Å; L323-T327 PolarHBondContact O-N 3.25Å; L323-T327 PolarHBondContact O-OG1 2.91Å; I324-T327 PolarHBondContact O-N 2.9Å; R325-T327 VanDerWaalsContact C-N 3.32Å; R325-T327 PolarHBondContact O-N 3.44Å; T327-N329 PolarHBondContact O-N 2.98Å; T327-N330 PolarHBondContact O-N 3.39Å; T327-T331 PolarHBondContact O-N 3.31Å; T327-T331 PolarHBondContact O-OG1 2.87Å
328	N	81.3	Confident	78.2	Confident	51 Å²	51	62.7 Å²	62.7	27%	0.273	32%	0.321	S	S	.	.	H	α-helix	trans	-62	-40.4	-179.7	-165.8	20.5	0	0	0	112.5	I324 R325 N330 T331	I324-N328 WeakPolarHBondContact O-CB 3.49Å; I324-N328 PolarHBondContact O-N 2.83Å; R325-N328 PolarHBondContact O-N 3.3Å; N328-N330 PolarHBondContact O-N 3.31Å; N328-T331 WeakPolarHBondContact CA-OG1 3.34Å; N328-T331 PolarHBondContact O-N 2.74Å; N328-T331 VanDerWaalsContact O-N 3.16Å; N328-T331 PolarHBondContact O-OG1 2.73Å
329	N	73.6	Confident	78.1	Confident	125 Å²	125	59.9 Å²	59.9	67%	0.668	31%	0.308	S	S	*	.	H	α-helix	trans	-63.3	-25.8	179.3	-75.5	-2.8	0	0	0	114	R325 T327	R325-N329 VanDerWaalsContact O-CG 3.3Å; R325-N329 PolarHBondContact O-N 2.91Å; R325-N329 VanDerWaalsContact O-N 3.11Å; T327-N329 PolarHBondContact O-N 2.98Å
330	N	62.7	Low	78.1	Confident	118 Å²	118	57.5 Å²	57.5	63%	0.631	30%	0.298	S	S	*	.	H	α-helix	trans	-83.9	-31.4	174.7	-82.4	-18.3	0	0	0	112.5	F285 T327 N328 K332	F285-N330 VanDerWaalsContact CE1-ND2 3.29Å; F285-N330 WeakPolarHBondContact CE1-ND2 3.37Å; T327-N330 PolarHBondContact O-N 3.39Å; N328-N330 PolarHBondContact O-N 3.31Å; N330-K332 PolarHBondContact O-N 2.87Å; N330-K332 VanDerWaalsContact O-N 3.09Å
331	T	58.5	Low	78.1	Confident	35 Å²	35	57.5 Å²	57.5	22%	0.215	30%	0.298	C	S	.	.	S	Bend	trans	-81.4	83.6	177.7	47	0	0	0	0	111.8	T327 N328 F333	T327-T331 PolarHBondContact O-N 3.31Å; T327-T331 PolarHBondContact O-OG1 2.87Å; N328-T331 WeakPolarHBondContact CA-OG1 3.34Å; N328-T331 PolarHBondContact O-N 2.74Å; N328-T331 VanDerWaalsContact O-N 3.16Å; N328-T331 PolarHBondContact O-OG1 2.73Å; T331-F333 PolarHBondContact O-N 3.09Å
332	K	45	Very low	78.2	Confident	194 Å²	194	57.4 Å²	57.4	84%	0.843	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	111.6	171.3	-71.8	-177	179.2	177	0	110.7	N330	N330-K332 PolarHBondContact O-N 2.87Å; N330-K332 VanDerWaalsContact O-N 3.09Å
333	F	46.9	Very low	78.3	Confident	200 Å²	200	54.5 Å²	54.5	88%	0.877	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	67.1	170.3	-73.6	-90.1	0	0	0	116.7	T331	T331-F333 PolarHBondContact O-N 3.09Å
334	Q	51.4	Low	78.5	Confident	87 Å²	87	54.5 Å²	54.5	41%	0.407	28%	0.284	S	S	.	.			trans	-105.8	88.7	148.3	-75.9	-175.3	-31.3	0	0	109.4	N336 T337	Q334-N336 PolarHBondContact O-N 2.83Å; Q334-T337 HydrophobicContact CB-CG2 4.03Å
335	A	52.3	Low	78.5	Confident	103 Å²	103	54.5 Å²	54.5	85%	0.851	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	14.6	-170.5	0	0	0	0	0	115.4
336	N	70.3	Confident	78.3	Confident	77 Å²	77	51.9 Å²	51.9	41%	0.412	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.2	44.4	-166.4	-153.1	26.3	0	0	0	113	Q225 Q334 R446	Q225-N336 PolarHBondContact NE2-ND2 3.05Å; Q334-N336 PolarHBondContact O-N 2.83Å; N336-R446 PolarHBondContact OD1-NH1 3.2Å
337	T	85.4	Confident	77.9	Confident	21 Å²	21	50.7 Å²	50.7	13%	0.129	27%	0.268	C	S	.	.			trans	-106.2	135.1	175.3	50.9	0	0	0	0	111.1	S226 Q334	S226-T337 WeakPolarHBondContact O-CA 3.49Å; S226-T337 WeakPolarHBondContact O-CB 3.37Å; Q334-T337 HydrophobicContact CB-CG2 4.03Å
338	D	89.1	Confident	77.7	Confident	16 Å²	16	53.8 Å²	53.8	9%	0.086	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	128	178.3	-80.7	-32.2	0	0	0	110.2	S226 K227 H228 L443	S226-D338 PolarHBondContact O-N 2.94Å; S226-D338 VanDerWaalsContact O-N 3.15Å; K227-D338 CarbonylContact C-O 3.45Å; K227-D338 WeakPolarHBondContact CA-O 3.32Å; K227-D338 HydrophobicContact CG-CB 4.34Å; H228-D338 PolarHBondContact N-O 2.94Å; D338-L443 HydrophobicContact CB-CD2 4.07Å
339	M	92.3	Very high	77.4	Confident	17 Å²	17	52.2 Å²	52.2	8%	0.084	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120	-177.6	-75.7	168.8	-82.4	0	0	111.2	H228 I324 S375 V376 M377	H228-M339 HydrophobicContact CB-CG 3.92Å; I324-M339 HydrophobicContact CG2-CB 4.41Å; I324-M339 HydrophobicContact CG2-CG 3.86Å; I324-M339 HydrophobicContact CG2-SD 3.53Å; I324-M339 VanDerWaalsContact CG2-SD 3.53Å; M339-S375 WeakPolarHBondContact CE-OG 3.4Å; M339-V376 HydrophobicContact CB-CB 4.48Å; M339-V376 HydrophobicContact CB-CG1 4.5Å; M339-V376 HydrophobicContact CB-CG2 4.05Å; M339-M377 PolarHBondContact O-N 2.75Å
340	V	94.4	Very high	77.2	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	130.7	-170.7	-167.6	0	0	0	0	111.5	H228 I229 V230 I342 M377 L379 L443	H228-V340 PolarHBondContact O-N 3.06Å; I229-V340 CarbonylContact C-O 3.59Å; I229-V340 WeakPolarHBondContact CA-O 3.48Å; I229-V340 HydrophobicContact CG1-CB 4.37Å; V230-V340 PolarHBondContact N-O 3.17Å; V340-I342 HydrophobicContact CG1-CG1 3.94Å; V340-M377 WeakPolarHBondContact CA-O 3.35Å; V340-L379 HydrophobicContact CG1-CD1 4.03Å; V340-L379 HydrophobicContact CG1-CG 4.13Å; V340-L443 HydrophobicContact CG2-CD2 3.73Å
341	I	97.3	Very high	77	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	124.9	164.6	-62.1	172.6	0	0	0	108.1	V230 I232 F317 A320 F321 I324 V376 M377 I378 L379	V230-I341 HydrophobicContact CB-CG1 4.48Å; V230-I341 CarbonylContact O-C 3.42Å; V230-I341 WeakPolarHBondContact O-CA 3.45Å; I232-I341 HydrophobicContact CD1-CG2 3.53Å; I232-I341 HydrophobicContact CG1-CG2 4.16Å; F317-I341 HydrophobicContact CD1-CD1 4.46Å; F317-I341 HydrophobicContact CD1-CG2 4.29Å; F317-I341 HydrophobicContact CE1-CG2 3.92Å; A320-I341 HydrophobicContact CB-CD1 3.92Å; A320-I341 HydrophobicContact CB-CG1 4.3Å; F321-I341 HydrophobicContact CD1-CD1 4.37Å; F321-I341 HydrophobicContact CD2-CD1 4.03Å; F321-I341 HydrophobicContact CE1-CD1 4.14Å; F321-I341 HydrophobicContact CE2-CD1 3.75Å; F321-I341 HydrophobicContact CG-CD1 4.31Å; F321-I341 HydrophobicContact CZ-CD1 3.81Å; I324-I341 HydrophobicContact CD1-CD1 4.2Å; I324-I341 HydrophobicContact CD1-CG1 3.89Å; I341-V376 HydrophobicContact CD1-CG1 3.86Å; I341-V376 HydrophobicContact CG1-CG1 3.83Å; I341-M377 PolarHBondContact N-O 2.89Å; I341-I378 HydrophobicContact CB-CG1 4.4Å; I341-I378 WeakPolarHBondContact O-CA 3.41Å; I341-L379 PolarHBondContact O-N 3.22Å
342	I	96.8	Very high	76.8	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	116.6	175.2	-57.8	176.9	0	0	0	108.3	I229 V230 V231 I232 I254 V340 L344 L379 Y381 F439	I229-I342 HydrophobicContact CG2-CD1 4.17Å; V230-I342 PolarHBondContact O-N 3.02Å; V231-I342 WeakPolarHBondContact CA-O 3.36Å; I232-I342 PolarHBondContact N-O 3.32Å; I254-I342 HydrophobicContact CD1-CB 4.41Å; I254-I342 HydrophobicContact CD1-CD1 3.9Å; I254-I342 HydrophobicContact CD1-CG2 3.76Å; I254-I342 HydrophobicContact CG1-CD1 4.27Å; I254-I342 HydrophobicContact CG2-CD1 4.07Å; V340-I342 HydrophobicContact CG1-CG1 3.94Å; I342-L344 HydrophobicContact CG2-CD2 4.22Å; I342-L379 WeakPolarHBondContact CA-O 3.43Å; I342-L379 HydrophobicContact CG1-CB 4.49Å; I342-Y381 HydrophobicContact CG2-CD2 3.72Å; I342-Y381 HydrophobicContact CG2-CE2 3.72Å; I342-F439 HydrophobicContact CD1-CB 4.4Å; I342-F439 HydrophobicContact CD1-CD2 4.12Å; I342-F439 HydrophobicContact CD1-CG 4.21Å
343	Y	96.8	Very high	77.6	Confident	1 Å²	1	51 Å²	51	0%	0.004	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	109.6	-172.9	-172.8	-111.1	0	0	0	111.2	I232 H313 F317 S345 L379 T380 Y381 L397 L400	I232-Y343 HydrophobicContact CB-CD2 3.8Å; I232-Y343 HydrophobicContact CB-CE2 4.33Å; I232-Y343 HydrophobicContact CD1-CD2 4.18Å; I232-Y343 HydrophobicContact CG2-CD2 3.75Å; I232-Y343 HydrophobicContact CG2-CE2 3.76Å; H313-Y343 AromaticContact ND1-CZ 3.92Å; H313-Y343 PolarHBondContact ND1-OH 3.12Å; F317-Y343 HydrophobicContact CE1-CD2 4.5Å; F317-Y343 HydrophobicContact CE2-CD1 4.31Å; F317-Y343 AromaticContact CE2-CD2 3.96Å; F317-Y343 HydrophobicContact CE2-CD2 3.96Å; F317-Y343 HydrophobicContact CE2-CE1 4.37Å; F317-Y343 HydrophobicContact CE2-CE2 4.11Å; F317-Y343 HydrophobicContact CE2-CG 4.14Å; F317-Y343 HydrophobicContact CZ-CD1 4.03Å; F317-Y343 AromaticContact CZ-CD2 3.74Å; F317-Y343 HydrophobicContact CZ-CD2 3.74Å; F317-Y343 HydrophobicContact CZ-CE2 4.35Å; F317-Y343 AromaticContact CZ-CG 3.63Å; F317-Y343 HydrophobicContact CZ-CG 3.63Å; Y343-S345 VanDerWaalsContact CZ-CB 3.42Å; Y343-S345 WeakPolarHBondContact OH-CB 3.33Å; Y343-S345 PolarHBondContact OH-OG 3.21Å; Y343-L379 PolarHBondContact N-O 3.12Å; Y343-T380 HydrophobicContact CD1-CG2 4.25Å; Y343-T380 WeakPolarHBondContact O-CA 3.19Å; Y343-Y381 PolarHBondContact O-N 2.84Å; Y343-L397 HydrophobicContact CD1-CD2 4.03Å; Y343-L397 HydrophobicContact CE1-CD2 3.91Å; Y343-L400 HydrophobicContact CE1-CD1 4.5Å
344	L	95.4	Very high	78.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	106.3	-178.2	-54.3	172	0	0	0	108.7	V231 I232 L233 D234 A247 A250 A251 I342 Y381	V231-L344 HydrophobicContact CG1-CD1 3.9Å; V231-L344 HydrophobicContact CG1-CG 4.47Å; I232-L344 PolarHBondContact O-N 2.83Å; L233-L344 HydrophobicContact CD1-CD1 4.28Å; L233-L344 HydrophobicContact CG-CD1 4.04Å; D234-L344 VanDerWaalsContact CB-O 3.25Å; D234-L344 WeakPolarHBondContact CB-O 3.42Å; D234-L344 PolarHBondContact N-O 3.44Å; A247-L344 HydrophobicContact CB-CB 4.22Å; A247-L344 HydrophobicContact CB-CD1 4.43Å; A247-L344 WeakPolarHBondContact O-CD1 3.24Å; A250-L344 HydrophobicContact CB-CD1 4.34Å; A250-L344 HydrophobicContact CB-CD2 4.23Å; A251-L344 HydrophobicContact CB-CD1 4.08Å; I342-L344 HydrophobicContact CG2-CD2 4.22Å; L344-Y381 HydrophobicContact CD2-CD2 3.94Å; L344-Y381 HydrophobicContact CD2-CG 3.95Å
345	S	92.4	Very high	80	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	158.3	-172.6	175.3	0	0	0	0	113.9	D234 Y343 G347 Y381 A382 L383	D234-S345 WeakPolarHBondContact OD2-CB 3.48Å; D234-S345 PolarHBondContact OD2-OG 3.28Å; Y343-S345 VanDerWaalsContact CZ-CB 3.42Å; Y343-S345 WeakPolarHBondContact OH-CB 3.33Å; Y343-S345 PolarHBondContact OH-OG 3.21Å; S345-G347 VanDerWaalsContact C-N 3.33Å; S345-G347 PolarHBondContact OG-N 2.61Å; S345-Y381 PolarHBondContact N-O 2.97Å; S345-Y381 VanDerWaalsContact N-O 3.14Å; S345-A382 WeakPolarHBondContact O-CA 3.28Å; S345-L383 PolarHBondContact O-N 2.95Å
346	A	87.1	Confident	81.4	Confident	11 Å²	11	44.6 Å²	44.6	9%	0.091	23%	0.233	C	C	.	.			trans	-78.4	-12.5	167.9	0	0	0	0	0	113.8	I348	A346-I348 VanDerWaalsContact C-N 3.29Å; A346-I348 HydrophobicContact CB-CD1 3.86Å; A346-I348 HydrophobicContact CB-CG1 4.14Å; A346-I348 PolarHBondContact O-N 3.06Å
347	G	80.8	Confident	82.1	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.01	23%	0.225	C	C	.	.			trans	73.2	14.3	179.1	0	0	0	0	0	115.5	S345	S345-G347 VanDerWaalsContact C-N 3.33Å; S345-G347 PolarHBondContact OG-N 2.61Å
348	I	81.9	Confident	82.1	Confident	72 Å²	72	42.7 Å²	42.7	37%	0.369	22%	0.221	S	C	.	.			trans	-90.4	106.5	-175.2	-61.8	165.2	0	0	0	109.9	A346 E393	A346-I348 VanDerWaalsContact C-N 3.29Å; A346-I348 HydrophobicContact CB-CD1 3.86Å; A346-I348 HydrophobicContact CB-CG1 4.14Å; A346-I348 PolarHBondContact O-N 3.06Å; I348-E393 HydrophobicContact CG1-CG 3.96Å
349	T	75.8	Confident	82.1	Confident	18 Å²	18	45.3 Å²	45.3	11%	0.11	23%	0.232	C	C	.	.			trans	-77.3	170.4	168.3	52.1	0	0	0	0	112	D357 K358 F396	T349-D357 HydrophobicContact CG2-CB 4.02Å; T349-K358 HydrophobicContact CG2-CG 3.83Å; T349-K358 WeakPolarHBondContact OG1-CE 3.41Å; T349-F396 HydrophobicContact CG2-CE1 4.04Å
350	S	68.3	Low	82	Confident	40 Å²	40	46.3 Å²	46.3	28%	0.28	24%	0.243	S	C	.	.			trans	-61.3	154	176.4	80.8	0	0	0	0	111.8	D352 S353 S354 D357	S350-D352 VanDerWaalsContact C-N 3.34Å; S350-S353 PolarHBondContact OG-N 2.89Å; S350-S353 PolarHBondContact OG-OG 3.28Å; S350-S354 WeakPolarHBondContact O-CA 3.47Å; S350-S354 WeakPolarHBondContact O-CB 3.29Å; S350-S354 PolarHBondContact O-N 2.78Å; S350-D357 WeakPolarHBondContact CB-OD2 3.3Å; S350-D357 PolarHBondContact N-OD2 3.3Å; S350-D357 PolarHBondContact OG-OD2 3.05Å
351	K	59.4	Low	81.9	Confident	200 Å²	200	46.4 Å²	46.4	87%	0.87	24%	0.244	S	C	*	.	S	Bend	trans	-72.3	-28.1	-177	-73.1	-178.4	178.7	173.3	0	113.2
352	D	54.4	Low	81.6	Confident	164 Å²	164	46.5 Å²	46.5	88%	0.877	24%	0.244	S	C	*	.	S	Bend	trans	-102.9	-19.6	-168.2	-52.7	-58.4	0	0	0	113.4	S350	S350-D352 VanDerWaalsContact C-N 3.34Å
353	S	61.3	Low	81.4	Confident	44 Å²	44	52 Å²	52	31%	0.308	27%	0.265	S	S	.	.	S	Bend	trans	-124.2	24.3	173.3	60.1	0	0	0	0	114.4	S350 E355 E356 D357	S350-S353 PolarHBondContact OG-N 2.89Å; S350-S353 PolarHBondContact OG-OG 3.28Å; S353-E355 VanDerWaalsContact C-N 3.34Å; S353-E355 PolarHBondContact O-N 3.26Å; S353-E356 PolarHBondContact O-N 2.89Å; S353-D357 PolarHBondContact O-N 2.87Å; S353-D357 PolarHBondContact OG-OD1 2.77Å; S353-D357 PolarHBondContact OG-OD2 3.29Å; S353-D357 VanDerWaalsContact OG-OD2 3.05Å
354	S	70.7	Confident	81.2	Confident	33 Å²	33	53.2 Å²	53.2	23%	0.231	27%	0.272	C	S	.	.	H	α-helix	trans	-38.8	-47.5	-175	170	0	0	0	0	116.5	S350 K358	S350-S354 WeakPolarHBondContact O-CA 3.47Å; S350-S354 WeakPolarHBondContact O-CB 3.29Å; S350-S354 PolarHBondContact O-N 2.78Å; S354-K358 VanDerWaalsContact O-CD 3.27Å; S354-K358 WeakPolarHBondContact O-CD 3.48Å; S354-K358 WeakPolarHBondContact O-CE 3.37Å; S354-K358 WeakPolarHBondContact O-CG 3.45Å; S354-K358 PolarHBondContact OG-NZ 3.17Å
355	E	78.3	Confident	81.1	Confident	92 Å²	92	53.3 Å²	53.3	43%	0.43	27%	0.273	S	S	.	.	H	α-helix	trans	-88.4	-35.1	-174.8	-59	-47.3	118.6	0	0	113	S353 D357 K358 K359	S353-E355 VanDerWaalsContact C-N 3.34Å; S353-E355 PolarHBondContact O-N 3.26Å; E355-D357 VanDerWaalsContact C-N 3.33Å; E355-K358 PolarHBondContact O-N 3.29Å; E355-K358 IonicContact OE1-NZ 2.71Å; E355-K358 PolarHBondContact OE1-NZ 2.91Å; E355-K358 IonicContact OE2-NZ 3.73Å; E355-K359 VanDerWaalsContact O-CB 3.24Å; E355-K359 WeakPolarHBondContact O-CB 3.36Å; E355-K359 PolarHBondContact O-N 3.42Å
356	E	82.1	Confident	81.1	Confident	129 Å²	129	54 Å²	54	60%	0.603	28%	0.277	S	S	*	.	H	α-helix	trans	-57.7	-44.3	169	-80.2	55.4	-133.6	0	0	111.4	S353 K358 K359 A360	S353-E356 PolarHBondContact O-N 2.89Å; E356-K358 PolarHBondContact O-N 2.82Å; E356-K359 PolarHBondContact O-N 3.19Å; E356-A360 VanDerWaalsContact O-CB 3.31Å; E356-A360 WeakPolarHBondContact O-CB 3.36Å; E356-A360 PolarHBondContact O-N 3.13Å
357	D	83	Confident	81.3	Confident	46 Å²	46	56.1 Å²	56.1	25%	0.246	29%	0.285	C	S	.	.	H	α-helix	trans	-61.2	-44.2	178.6	-65.2	-13.1	0	0	0	111.4	T349 S350 S353 E355 T361	T349-D357 HydrophobicContact CG2-CB 4.02Å; S350-D357 WeakPolarHBondContact CB-OD2 3.3Å; S350-D357 PolarHBondContact N-OD2 3.3Å; S350-D357 PolarHBondContact OG-OD2 3.05Å; S353-D357 PolarHBondContact O-N 2.87Å; S353-D357 PolarHBondContact OG-OD1 2.77Å; S353-D357 PolarHBondContact OG-OD2 3.29Å; S353-D357 VanDerWaalsContact OG-OD2 3.05Å; E355-D357 VanDerWaalsContact C-N 3.33Å; D357-T361 WeakPolarHBondContact O-CB 3.47Å; D357-T361 PolarHBondContact O-N 3.03Å; D357-T361 PolarHBondContact O-OG1 3.07Å
358	K	87.1	Confident	81.8	Confident	12 Å²	12	56.9 Å²	56.9	5%	0.052	29%	0.288	C	S	.	.	H	α-helix	trans	-66.1	-44.4	177.1	-65.1	167.1	-162.1	164.4	0	111.2	T349 S354 E355 E356 T361 L362 F396 Y408	T349-K358 HydrophobicContact CG2-CG 3.83Å; T349-K358 WeakPolarHBondContact OG1-CE 3.41Å; S354-K358 VanDerWaalsContact O-CD 3.27Å; S354-K358 WeakPolarHBondContact O-CD 3.48Å; S354-K358 WeakPolarHBondContact O-CE 3.37Å; S354-K358 WeakPolarHBondContact O-CG 3.45Å; S354-K358 PolarHBondContact OG-NZ 3.17Å; E355-K358 PolarHBondContact O-N 3.29Å; E355-K358 IonicContact OE1-NZ 2.71Å; E355-K358 PolarHBondContact OE1-NZ 2.91Å; E355-K358 IonicContact OE2-NZ 3.73Å; E356-K358 PolarHBondContact O-N 2.82Å; K358-T361 PolarHBondContact O-N 2.83Å; K358-L362 PolarHBondContact O-N 3.5Å; K358-F396 HydrophobicContact CB-CD2 3.97Å; K358-F396 HydrophobicContact CB-CE2 3.64Å; K358-F396 HydrophobicContact CB-CZ 4.13Å; K358-F396 HydrophobicContact CD-CB 4.44Å; K358-F396 HydrophobicContact CD-CD2 4.05Å; K358-F396 HydrophobicContact CD-CE2 4.46Å; K358-F396 HydrophobicContact CD-CG 4.1Å; K358-F396 HydrophobicContact CG-CD1 4.15Å; K358-F396 HydrophobicContact CG-CD2 3.66Å; K358-F396 HydrophobicContact CG-CE1 4.06Å; K358-F396 HydrophobicContact CG-CE2 3.57Å; K358-F396 HydrophobicContact CG-CG 3.96Å; K358-F396 HydrophobicContact CG-CZ 3.78Å; K358-Y408 HydrophobicContact CB-CD1 4.12Å; K358-Y408 HydrophobicContact CB-CE1 3.71Å; K358-Y408 HydrophobicContact CD-CE1 4.15Å
359	K	89.1	Confident	82.2	Confident	72 Å²	72	53.5 Å²	53.5	31%	0.313	27%	0.27	S	S	.	.	H	α-helix	trans	-66	-37.2	178.8	-175	169.8	-174.3	158.1	0	112.4	E355 E356 R363 Y408 V410	E355-K359 VanDerWaalsContact O-CB 3.24Å; E355-K359 WeakPolarHBondContact O-CB 3.36Å; E355-K359 PolarHBondContact O-N 3.42Å; E356-K359 PolarHBondContact O-N 3.19Å; K359-R363 VanDerWaalsContact O-CB 3.28Å; K359-R363 WeakPolarHBondContact O-CB 3.45Å; K359-R363 PolarHBondContact O-N 2.76Å; K359-Y408 VanDerWaalsContact CD-O 3.3Å; K359-Y408 WeakPolarHBondContact CD-O 3.31Å; K359-Y408 WeakPolarHBondContact CE-O 3.3Å; K359-Y408 PolarHBondContact NZ-O 2.85Å; K359-V410 HydrophobicContact CG-CG2 4.14Å
360	A	89.9	Confident	82.8	Confident	38 Å²	38	54 Å²	54	31%	0.314	28%	0.275	S	S	.	.	H	α-helix	trans	-65.5	-45.3	172.5	0	0	0	0	0	111.2	E356 R363 V364	E356-A360 VanDerWaalsContact O-CB 3.31Å; E356-A360 WeakPolarHBondContact O-CB 3.36Å; E356-A360 PolarHBondContact O-N 3.13Å; A360-R363 WeakPolarHBondContact O-CB 3.3Å; A360-R363 PolarHBondContact O-N 3.43Å; A360-V364 WeakPolarHBondContact O-CG2 3.44Å; A360-V364 PolarHBondContact O-N 3.48Å
361	T	91.4	Very high	83.8	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-61	-49.1	178.5	-55	0	0	0	0	111.9	H313 A314 F317 D357 K358 R363 V364 I365 F396 L400	H313-T361 HydrophobicContact CB-CG2 3.9Å; A314-T361 PolarHBondContact N-OG1 3.38Å; F317-T361 HydrophobicContact CD2-CG2 3.75Å; F317-T361 HydrophobicContact CE2-CG2 4.13Å; D357-T361 WeakPolarHBondContact O-CB 3.47Å; D357-T361 PolarHBondContact O-N 3.03Å; D357-T361 PolarHBondContact O-OG1 3.07Å; K358-T361 PolarHBondContact O-N 2.83Å; T361-R363 VanDerWaalsContact C-N 3.34Å; T361-R363 PolarHBondContact O-N 3.3Å; T361-V364 PolarHBondContact O-N 2.86Å; T361-I365 HydrophobicContact CG2-CD1 4.22Å; T361-I365 WeakPolarHBondContact O-CG1 3.45Å; T361-I365 PolarHBondContact O-N 3.23Å; T361-I365 VanDerWaalsContact O-N 3.08Å; T361-F396 HydrophobicContact CG2-CZ 4.37Å; T361-L400 HydrophobicContact CG2-CD2 3.91Å
362	L	91.4	Very high	85.2	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-69.1	-28.4	177	-82.8	165.8	0	0	0	113.4	K358 I365 N366 L400 Y408	K358-L362 PolarHBondContact O-N 3.5Å; L362-I365 HydrophobicContact CD2-CD1 4.44Å; L362-N366 WeakPolarHBondContact O-CB 3.45Å; L362-N366 PolarHBondContact O-N 3.21Å; L362-L400 HydrophobicContact CD2-CD2 3.97Å; L362-L400 HydrophobicContact CG-CD2 3.97Å; L362-Y408 HydrophobicContact CD1-CD2 3.17Å; L362-Y408 HydrophobicContact CD1-CE2 3.42Å; L362-Y408 VanDerWaalsContact CD1-CE2 3.42Å; L362-Y408 HydrophobicContact CD1-CG 3.83Å
363	R	91.9	Very high	86.8	Confident	116 Å²	116	47.1 Å²	47.1	44%	0.438	24%	0.238	S	C	.	.	H	α-helix	trans	-62.9	-49	169.9	-175.4	-170.8	-59.9	155.8	4.1	111	K359 A360 T361 I365 N366 E367 V410	K359-R363 VanDerWaalsContact O-CB 3.28Å; K359-R363 WeakPolarHBondContact O-CB 3.45Å; K359-R363 PolarHBondContact O-N 2.76Å; A360-R363 WeakPolarHBondContact O-CB 3.3Å; A360-R363 PolarHBondContact O-N 3.43Å; T361-R363 VanDerWaalsContact C-N 3.34Å; T361-R363 PolarHBondContact O-N 3.3Å; R363-I365 VanDerWaalsContact C-N 3.33Å; R363-I365 PolarHBondContact O-N 2.74Å; R363-N366 PolarHBondContact O-N 3.01Å; R363-E367 HydrophobicContact CG-CG 4.26Å; R363-E367 WeakPolarHBondContact CG-OE2 3.2Å; R363-E367 WeakPolarHBondContact O-CB 2.98Å; R363-E367 WeakPolarHBondContact O-CG 3.36Å; R363-E367 PolarHBondContact O-N 2.94Å; R363-V410 HydrophobicContact CB-CG1 4.44Å; R363-V410 HydrophobicContact CB-CG2 4.16Å
364	V	93.6	Very high	88.1	Confident	27 Å²	27	45.2 Å²	45.2	16%	0.164	22%	0.224	C	C	.	.	H	α-helix	trans	-59.6	-43.6	178.5	168.4	0	0	0	0	111.5	A314 Q318 A360 T361 E367 E368	A314-V364 HydrophobicContact CB-CG2 4.27Å; Q318-V364 HydrophobicContact CB-CG1 3.68Å; Q318-V364 HydrophobicContact CG-CG1 4.05Å; A360-V364 WeakPolarHBondContact O-CG2 3.44Å; A360-V364 PolarHBondContact O-N 3.48Å; T361-V364 PolarHBondContact O-N 2.86Å; V364-E367 PolarHBondContact O-N 2.81Å; V364-E368 HydrophobicContact CG1-CG 4.23Å; V364-E368 WeakPolarHBondContact O-CB 3.32Å; V364-E368 PolarHBondContact O-N 3.32Å
365	I	93.6	Very high	88.9	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-60.6	-49.1	176.4	-68.9	164.6	0	0	0	110.9	F317 F321 T361 L362 R363 E367 N369 I378 L400 Q403	F317-I365 HydrophobicContact CB-CG1 4.03Å; F317-I365 HydrophobicContact CD1-CD1 4.04Å; F317-I365 HydrophobicContact CD1-CG1 4Å; F317-I365 HydrophobicContact CD2-CD1 4.04Å; F317-I365 HydrophobicContact CD2-CG1 4.41Å; F317-I365 HydrophobicContact CE1-CD1 4.22Å; F317-I365 HydrophobicContact CE2-CD1 4.22Å; F317-I365 HydrophobicContact CG-CD1 3.95Å; F317-I365 HydrophobicContact CG-CG1 3.89Å; F317-I365 HydrophobicContact CZ-CD1 4.3Å; F321-I365 HydrophobicContact CE2-CB 4.39Å; F321-I365 HydrophobicContact CE2-CG1 4.17Å; F321-I365 HydrophobicContact CE2-CG2 4.35Å; F321-I365 HydrophobicContact CZ-CG2 4.32Å; T361-I365 HydrophobicContact CG2-CD1 4.22Å; T361-I365 WeakPolarHBondContact O-CG1 3.45Å; T361-I365 PolarHBondContact O-N 3.23Å; T361-I365 VanDerWaalsContact O-N 3.08Å; L362-I365 HydrophobicContact CD2-CD1 4.44Å; R363-I365 VanDerWaalsContact C-N 3.33Å; R363-I365 PolarHBondContact O-N 2.74Å; I365-E367 PolarHBondContact O-N 2.64Å; I365-N369 WeakPolarHBondContact O-CB 3.25Å; I365-N369 PolarHBondContact O-N 2.95Å; I365-I378 HydrophobicContact CD1-CD1 4.05Å; I365-I378 HydrophobicContact CG1-CD1 4.17Å; I365-I378 HydrophobicContact CG2-CD1 3.66Å; I365-L400 HydrophobicContact CD1-CD2 3.52Å; I365-Q403 HydrophobicContact CG2-CG 4.26Å
366	N	91.6	Very high	89.6	Confident	15 Å²	15	41 Å²	41	8%	0.08	21%	0.205	C	C	.	.	H	α-helix	trans	-64.4	-36.5	-179.4	-173.4	98.3	0	0	0	112.5	L362 R363 S405 V410 P411	L362-N366 WeakPolarHBondContact O-CB 3.45Å; L362-N366 PolarHBondContact O-N 3.21Å; R363-N366 PolarHBondContact O-N 3.01Å; N366-S405 VanDerWaalsContact OD1-CB 3.3Å; N366-S405 WeakPolarHBondContact OD1-CB 3.37Å; N366-S405 PolarHBondContact OD1-OG 3.32Å; N366-V410 HydrophobicContact CB-CG1 4.17Å; N366-P411 PolarHBondContact ND2-O 2.93Å
367	E	90.9	Very high	90.2	Very high	55 Å²	55	35.2 Å²	35.2	26%	0.257	18%	0.178	S	C	.	.	H	α-helix	trans	-76.8	-46.7	177.3	-69.4	-177.6	138.8	0	0	112.1	R363 V364 I365 S370 F371 R413	R363-E367 HydrophobicContact CG-CG 4.26Å; R363-E367 WeakPolarHBondContact CG-OE2 3.2Å; R363-E367 WeakPolarHBondContact O-CB 2.98Å; R363-E367 WeakPolarHBondContact O-CG 3.36Å; R363-E367 PolarHBondContact O-N 2.94Å; V364-E367 PolarHBondContact O-N 2.81Å; I365-E367 PolarHBondContact O-N 2.64Å; E367-S370 PolarHBondContact O-N 2.83Å; E367-S370 PolarHBondContact O-OG 3.43Å; E367-F371 WeakPolarHBondContact O-CD2 3.44Å; E367-R413 IonicContact OE1-CZ 3.9Å; E367-R413 IonicContact OE1-NH1 3.3Å; E367-R413 PolarHBondContact OE1-NH1 3.08Å; E367-R413 IonicContact OE1-NH2 2.7Å; E367-R413 PolarHBondContact OE1-NH2 3.28Å
368	E	91.9	Very high	90.8	Very high	16 Å²	16	33 Å²	33	8%	0.075	17%	0.167	C	C	.	.	H	α-helix	trans	-76.1	-33.9	-176	-67.3	-82.6	-154.6	0	0	113.3	Q318 F321 R325 V364 S370 F371	Q318-E368 HydrophobicContact CG-CG 4.25Å; Q318-E368 VanDerWaalsContact CG-OE1 3.3Å; Q318-E368 WeakPolarHBondContact CG-OE1 3.28Å; F321-E368 HydrophobicContact CB-CB 3.57Å; F321-E368 HydrophobicContact CB-CG 4.27Å; F321-E368 HydrophobicContact CD1-CB 4.2Å; F321-E368 HydrophobicContact CD2-CB 3.84Å; F321-E368 HydrophobicContact CG-CB 3.62Å; R325-E368 IonicContact CZ-OE2 3.19Å; R325-E368 VanDerWaalsContact CZ-OE2 3.28Å; R325-E368 IonicContact NH1-OE2 3.58Å; R325-E368 PolarHBondContact NH1-OE2 3.27Å; R325-E368 IonicContact NH2-OE1 2.72Å; R325-E368 IonicContact NH2-OE2 3.54Å; R325-E368 PolarHBondContact NH2-OE2 2.99Å; R325-E368 VanDerWaalsContact NH2-OE2 3.09Å; V364-E368 HydrophobicContact CG1-CG 4.23Å; V364-E368 WeakPolarHBondContact O-CB 3.32Å; V364-E368 PolarHBondContact O-N 3.32Å; E368-S370 VanDerWaalsContact C-N 3.28Å; E368-S370 PolarHBondContact O-N 3.08Å; E368-F371 PolarHBondContact O-N 3.46Å
369	N	90.9	Very high	91.2	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-69.3	-26.4	174.1	-156.4	1.6	0	0	0	112	F321 I365 F371 L372 N373 N374 S375 V376 Q403	F321-N369 HydrophobicContact CD1-CB 4.43Å; F321-N369 HydrophobicContact CE1-CB 3.52Å; F321-N369 HydrophobicContact CZ-CB 3.77Å; I365-N369 WeakPolarHBondContact O-CB 3.25Å; I365-N369 PolarHBondContact O-N 2.95Å; N369-F371 VanDerWaalsContact C-N 3.27Å; N369-F371 PolarHBondContact O-N 3.38Å; N369-L372 CarbonylContact O-C 3.49Å; N369-L372 WeakPolarHBondContact O-CA 3.25Å; N369-L372 PolarHBondContact O-N 3.35Å; N369-N373 PolarHBondContact O-N 3.02Å; N369-N374 PolarHBondContact O-N 2.89Å; N369-N374 PolarHBondContact O-OD1 2.91Å; N369-N374 WeakPolarHBondContact OD1-CA 3.19Å; N369-S375 PolarHBondContact OD1-N 2.72Å; N369-V376 PolarHBondContact ND2-O 3.24Å; N369-V376 VanDerWaalsContact ND2-O 3.11Å; N369-V376 WeakPolarHBondContact OD1-CB 3.35Å; N369-V376 WeakPolarHBondContact OD1-CG2 3.46Å; N369-V376 PolarHBondContact OD1-N 2.9Å; N369-V376 VanDerWaalsContact OD1-N 3.16Å; N369-Q403 PolarHBondContact ND2-OE1 3.44Å
370	S	88.7	Confident	91.5	Very high	28 Å²	28	29.1 Å²	29.1	20%	0.196	15%	0.15	C	C	.	.	H	α-helix	trans	-62.2	-33.3	176.4	78.8	0	0	0	0	112.9	E367 E368 L372 N373 N374	E367-S370 PolarHBondContact O-N 2.83Å; E367-S370 PolarHBondContact O-OG 3.43Å; E368-S370 VanDerWaalsContact C-N 3.28Å; E368-S370 PolarHBondContact O-N 3.08Å; S370-L372 PolarHBondContact O-N 3.31Å; S370-N373 PolarHBondContact O-N 3.29Å; S370-N374 WeakPolarHBondContact CA-OD1 3.41Å; S370-N374 PolarHBondContact N-OD1 2.7Å
371	F	88.6	Confident	91.7	Very high	133 Å²	133	27.4 Å²	27.4	58%	0.583	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-10	173.4	-60.9	-63	0	0	0	113.8	E367 E368 N369	E367-F371 WeakPolarHBondContact O-CD2 3.44Å; E368-F371 PolarHBondContact O-N 3.46Å; N369-F371 VanDerWaalsContact C-N 3.27Å; N369-F371 PolarHBondContact O-N 3.38Å
372	L	87.7	Confident	91.7	Very high	10 Å²	10	27.4 Å²	27.4	5%	0.052	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	24.2	176	-63.2	175.8	0	0	0	111.4	F321 I324 R325 N369 S370 N374 S375 V376	F321-L372 HydrophobicContact CD1-CD1 4.07Å; I324-L372 HydrophobicContact CB-CD1 4.18Å; I324-L372 HydrophobicContact CG2-CD1 3.7Å; R325-L372 HydrophobicContact CB-CD2 4.14Å; R325-L372 HydrophobicContact CG-CD2 4.43Å; N369-L372 CarbonylContact O-C 3.49Å; N369-L372 WeakPolarHBondContact O-CA 3.25Å; N369-L372 PolarHBondContact O-N 3.35Å; S370-L372 PolarHBondContact O-N 3.31Å; L372-N374 PolarHBondContact O-N 2.82Å; L372-N374 VanDerWaalsContact O-N 3.15Å; L372-S375 WeakPolarHBondContact O-CB 3.41Å; L372-S375 PolarHBondContact O-N 2.93Å; L372-S375 VanDerWaalsContact O-N 3.11Å; L372-S375 PolarHBondContact O-OG 2.89Å; L372-V376 HydrophobicContact CB-CG2 4.22Å; L372-V376 HydrophobicContact CD1-CG2 3.5Å; L372-V376 VanDerWaalsContact CD1-CG2 3.5Å
373	N	88	Confident	91.6	Very high	117 Å²	117	27.5 Å²	27.5	63%	0.626	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	31.1	179.8	-60.3	-35.3	0	0	0	113.5	N369 S370 S375 L416	N369-N373 PolarHBondContact O-N 3.02Å; S370-N373 PolarHBondContact O-N 3.29Å; N373-S375 PolarHBondContact O-N 2.97Å; N373-L416 HydrophobicContact CB-CD1 3.81Å
374	N	89.3	Confident	91.2	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.021	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	23.9	-177.1	-59	-20.9	0	0	0	115.3	N369 S370 L372 T414 L416 V418 I419	N369-N374 PolarHBondContact O-N 2.89Å; N369-N374 PolarHBondContact O-OD1 2.91Å; N369-N374 WeakPolarHBondContact OD1-CA 3.19Å; S370-N374 WeakPolarHBondContact CA-OD1 3.41Å; S370-N374 PolarHBondContact N-OD1 2.7Å; L372-N374 PolarHBondContact O-N 2.82Å; L372-N374 VanDerWaalsContact O-N 3.15Å; N374-T414 PolarHBondContact ND2-OG1 3.09Å; N374-L416 PolarHBondContact ND2-O 2.75Å; N374-V418 HydrophobicContact CB-CB 4.43Å; N374-V418 HydrophobicContact CB-CG2 4.08Å; N374-I419 PolarHBondContact O-N 2.97Å
375	S	88.4	Confident	90.2	Very high	37 Å²	37	24.5 Å²	24.5	26%	0.259	13%	0.127	S	C	.	.			trans	-82.6	-8.2	-175.3	62.6	0	0	0	0	115.5	M339 N369 L372 N373	M339-S375 WeakPolarHBondContact CE-OG 3.4Å; N369-S375 PolarHBondContact OD1-N 2.72Å; L372-S375 WeakPolarHBondContact O-CB 3.41Å; L372-S375 PolarHBondContact O-N 2.93Å; L372-S375 VanDerWaalsContact O-N 3.11Å; L372-S375 PolarHBondContact O-OG 2.89Å; N373-S375 PolarHBondContact O-N 2.97Å
376	V	92.3	Very high	88.8	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	127.9	179	-172.6	0	0	0	0	110.9	F321 I324 M339 I341 N369 L372 Q403	F321-V376 HydrophobicContact CD1-CG2 4.14Å; F321-V376 HydrophobicContact CE1-CB 3.71Å; F321-V376 HydrophobicContact CE1-CG1 3.94Å; F321-V376 HydrophobicContact CE1-CG2 3.71Å; F321-V376 HydrophobicContact CZ-CB 4.38Å; F321-V376 HydrophobicContact CZ-CG1 4.37Å; I324-V376 HydrophobicContact CD1-CG1 4.09Å; I324-V376 HydrophobicContact CD1-CG2 4.39Å; M339-V376 HydrophobicContact CB-CB 4.48Å; M339-V376 HydrophobicContact CB-CG1 4.5Å; M339-V376 HydrophobicContact CB-CG2 4.05Å; I341-V376 HydrophobicContact CD1-CG1 3.86Å; I341-V376 HydrophobicContact CG1-CG1 3.83Å; N369-V376 PolarHBondContact ND2-O 3.24Å; N369-V376 VanDerWaalsContact ND2-O 3.11Å; N369-V376 WeakPolarHBondContact OD1-CB 3.35Å; N369-V376 WeakPolarHBondContact OD1-CG2 3.46Å; N369-V376 PolarHBondContact OD1-N 2.9Å; N369-V376 VanDerWaalsContact OD1-N 3.16Å; L372-V376 HydrophobicContact CB-CG2 4.22Å; L372-V376 HydrophobicContact CD1-CG2 3.5Å; L372-V376 VanDerWaalsContact CD1-CG2 3.5Å; V376-Q403 PolarHBondContact O-NE2 2.73Å
377	M	94.3	Very high	87.1	Confident	8 Å²	8	33 Å²	33	4%	0.039	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	140.5	171	-176.8	179.9	-71.1	0	0	110.7	M339 V340 I341 L379 I419 N442 L443 P444	M339-M377 PolarHBondContact O-N 2.75Å; V340-M377 WeakPolarHBondContact CA-O 3.35Å; I341-M377 PolarHBondContact N-O 2.89Å; M377-L379 HydrophobicContact CG-CD2 4.15Å; M377-L379 HydrophobicContact SD-CD2 3.89Å; M377-L379 HydrophobicContact SD-CG 4.49Å; M377-I419 HydrophobicContact CB-CG2 4.11Å; M377-I419 HydrophobicContact CE-CG2 3.49Å; M377-I419 VanDerWaalsContact CE-CG2 3.49Å; M377-I419 HydrophobicContact CG-CG2 4.38Å; M377-N442 VanDerWaalsContact CE-O 3.29Å; M377-N442 WeakPolarHBondContact CE-O 3.4Å; M377-N442 HydrophobicContact SD-CB 4.2Å; M377-L443 HydrophobicContact SD-CD2 4.34Å; M377-P444 HydrophobicContact CE-CG 4.48Å
378	I	96.1	Very high	85.6	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	118.8	175.2	-55.8	-178.1	0	0	0	109.4	F317 F321 I341 I365 T380 A401 Q403 G421	F317-I378 HydrophobicContact CD1-CD1 4.3Å; F317-I378 HydrophobicContact CE1-CD1 3.97Å; F317-I378 HydrophobicContact CE1-CG2 3.92Å; F317-I378 HydrophobicContact CZ-CG2 4.29Å; F321-I378 HydrophobicContact CZ-CD1 4.34Å; I341-I378 HydrophobicContact CB-CG1 4.4Å; I341-I378 WeakPolarHBondContact O-CA 3.41Å; I365-I378 HydrophobicContact CD1-CD1 4.05Å; I365-I378 HydrophobicContact CG1-CD1 4.17Å; I365-I378 HydrophobicContact CG2-CD1 3.66Å; I378-T380 HydrophobicContact CG2-CG2 4.11Å; I378-A401 WeakPolarHBondContact O-CA 3.18Å; I378-A401 WeakPolarHBondContact O-CB 3.36Å; I378-Q403 HydrophobicContact CD1-CG 4.08Å; I378-Q403 HydrophobicContact CG1-CG 4.41Å; I378-G421 WeakPolarHBondContact O-CA 3.3Å
379	L	96.2	Very high	83.9	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	124.5	172.1	-57.4	-177.6	0	0	0	108.9	V340 I341 I342 Y343 M377 Y381 F439 N442	V340-L379 HydrophobicContact CG1-CD1 4.03Å; V340-L379 HydrophobicContact CG1-CG 4.13Å; I341-L379 PolarHBondContact O-N 3.22Å; I342-L379 WeakPolarHBondContact CA-O 3.43Å; I342-L379 HydrophobicContact CG1-CB 4.49Å; Y343-L379 PolarHBondContact N-O 3.12Å; M377-L379 HydrophobicContact CG-CD2 4.15Å; M377-L379 HydrophobicContact SD-CD2 3.89Å; M377-L379 HydrophobicContact SD-CG 4.49Å; L379-Y381 HydrophobicContact CB-CE2 4.26Å; L379-F439 HydrophobicContact CD1-CB 4Å; L379-N442 HydrophobicContact CD1-CB 4.45Å; L379-N442 HydrophobicContact CD2-CB 3.79Å
380	T	95.4	Very high	82.7	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.1	178.4	58.8	0	0	0	0	111.1	Y343 I378 L397 L400 A401 S422 M423 M424	Y343-T380 HydrophobicContact CD1-CG2 4.25Å; Y343-T380 WeakPolarHBondContact O-CA 3.19Å; I378-T380 HydrophobicContact CG2-CG2 4.11Å; T380-L397 WeakPolarHBondContact CG2-O 3.38Å; T380-L397 PolarHBondContact OG1-O 2.94Å; T380-L400 HydrophobicContact CG2-CB 4.08Å; T380-A401 HydrophobicContact CG2-CB 4.13Å; T380-S422 PolarHBondContact N-O 2.83Å; T380-M423 CarbonylContact O-C 3.46Å; T380-M423 VanDerWaalsContact O-CA 3.28Å; T380-M423 WeakPolarHBondContact O-CA 3.2Å; T380-M423 WeakPolarHBondContact OG1-CB 3.4Å; T380-M423 WeakPolarHBondContact OG1-CG 3.22Å; T380-M424 PolarHBondContact O-N 2.94Å
381	Y	94	Very high	82	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.008	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	107.4	175.2	-70.9	-92.8	0	0	0	108.7	I342 Y343 L344 S345 L379 L383 M424 L426 T435 V436	I342-Y381 HydrophobicContact CG2-CD2 3.72Å; I342-Y381 HydrophobicContact CG2-CE2 3.72Å; Y343-Y381 PolarHBondContact O-N 2.84Å; L344-Y381 HydrophobicContact CD2-CD2 3.94Å; L344-Y381 HydrophobicContact CD2-CG 3.95Å; S345-Y381 PolarHBondContact N-O 2.97Å; S345-Y381 VanDerWaalsContact N-O 3.14Å; L379-Y381 HydrophobicContact CB-CE2 4.26Å; Y381-L383 PolarHBondContact O-N 3.45Å; Y381-M424 CarbonylContact C-O 3.51Å; Y381-M424 WeakPolarHBondContact CA-O 3.33Å; Y381-M424 HydrophobicContact CD1-CB 3.77Å; Y381-M424 HydrophobicContact CE1-CB 3.82Å; Y381-M424 HydrophobicContact CE1-CG 4.17Å; Y381-M424 HydrophobicContact CE1-SD 3.65Å; Y381-L426 HydrophobicContact CD1-CD1 3.84Å; Y381-L426 HydrophobicContact CD1-CD2 3.92Å; Y381-L426 HydrophobicContact CD1-CG 3.87Å; Y381-L426 HydrophobicContact CE1-CD2 4.5Å; Y381-L426 HydrophobicContact CG-CD1 4.15Å; Y381-L426 HydrophobicContact CG-CG 4.48Å; Y381-T435 PolarHBondContact OH-O 3.07Å; Y381-V436 HydrophobicContact CD1-CG2 4.16Å; Y381-V436 HydrophobicContact CE1-CB 4.3Å; Y381-V436 HydrophobicContact CE1-CG1 4.32Å; Y381-V436 HydrophobicContact CE1-CG2 3.93Å; Y381-V436 HydrophobicContact CE2-CG1 4.5Å
382	A	91.2	Very high	81.5	Confident	2 Å²	2	46.7 Å²	46.7	2%	0.017	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	109.6	-180	0	0	0	0	0	110.4	S345 M384 L394 L397 M423 M424 V425 L426	S345-A382 WeakPolarHBondContact O-CA 3.28Å; A382-M384 HydrophobicContact CB-CG 4.49Å; A382-M384 PolarHBondContact O-N 2.85Å; A382-L394 HydrophobicContact CB-CD2 3.49Å; A382-L394 VanDerWaalsContact CB-CD2 3.49Å; A382-L397 HydrophobicContact CB-CD1 3.53Å; A382-M423 HydrophobicContact CB-SD 4.13Å; A382-M424 PolarHBondContact N-O 3.4Å; A382-V425 HydrophobicContact CB-CG2 4.32Å; A382-L426 PolarHBondContact O-N 2.93Å
383	L	89.4	Confident	81.2	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.01	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	117.1	176.8	-55.3	170.7	0	0	0	109.2	V239 Q243 I246 A247 S345 Y381 L426	V239-L383 HydrophobicContact CG1-CD1 4.35Å; Q243-L383 HydrophobicContact CB-CB 3.92Å; Q243-L383 HydrophobicContact CB-CD1 4.42Å; Q243-L383 HydrophobicContact CG-CB 4.02Å; Q243-L383 PolarHBondContact NE2-O 3.34Å; I246-L383 HydrophobicContact CB-CD2 4.49Å; I246-L383 HydrophobicContact CG2-CD2 3.93Å; A247-L383 HydrophobicContact CB-CD1 3.8Å; A247-L383 HydrophobicContact CB-CD2 3.92Å; S345-L383 PolarHBondContact O-N 2.95Å; Y381-L383 PolarHBondContact O-N 3.45Å; L383-L426 HydrophobicContact CD2-CD1 4.39Å
384	M	82.2	Confident	81.1	Confident	30 Å²	30	45.2 Å²	45.2	15%	0.148	27%	0.265	C	S	.	.			trans	-132.3	143.4	-175.3	-63.5	-171.6	69.1	0	0	111.8	A382 V388 L394 V425 L426 N427	A382-M384 HydrophobicContact CB-CG 4.49Å; A382-M384 PolarHBondContact O-N 2.85Å; M384-V388 WeakPolarHBondContact CE-O 3.34Å; M384-L394 HydrophobicContact CE-CD1 4.1Å; M384-L394 HydrophobicContact SD-CD1 3.96Å; M384-L394 HydrophobicContact SD-CD2 3.82Å; M384-L394 HydrophobicContact SD-CG 4.18Å; M384-V425 HydrophobicContact CB-CG1 4.27Å; M384-V425 HydrophobicContact CG-CG1 4.04Å; M384-V425 HydrophobicContact SD-CG1 3.51Å; M384-V425 VanDerWaalsContact SD-CG1 3.51Å; M384-V425 HydrophobicContact SD-CG2 4.2Å; M384-L426 PolarHBondContact N-O 2.71Å; M384-N427 WeakPolarHBondContact O-CA 3.43Å
385	N	74.4	Confident	81	Confident	50 Å²	50	46.3 Å²	46.3	27%	0.267	28%	0.275	S	S	.	.			trans	-90.6	144.1	167.9	-70	-44.8	0	0	0	109.5	T240 T242 G387 V388	T240-N385 PolarHBondContact OG1-ND2 3.29Å; T242-N385 PolarHBondContact OG1-OD1 3.15Å; N385-G387 PolarHBondContact O-N 3.4Å; N385-V388 PolarHBondContact O-N 3.04Å
386	D	62.3	Low	81.1	Confident	110 Å²	110	44.6 Å²	44.6	59%	0.588	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	131	-178.5	-81.8	-31.5	0	0	0	112.1	N427	D386-N427 PolarHBondContact OD1-ND2 3.48Å
387	G	56.9	Low	81	Confident	85 Å²	85	44.6 Å²	44.6	88%	0.876	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.5	-4.5	177.7	0	0	0	0	0	116.8	N385	N385-G387 PolarHBondContact O-N 3.4Å
388	V	59.8	Low	81	Confident	92 Å²	92	50 Å²	50	56%	0.558	28%	0.283	S	S	*	.			trans	-100.3	132.3	178.7	-175.6	0	0	0	0	111.2	M384 N385	M384-V388 WeakPolarHBondContact CE-O 3.34Å; N385-V388 PolarHBondContact O-N 3.04Å
389	T	56.3	Low	80.8	Confident	116 Å²	116	50.1 Å²	50.1	71%	0.712	28%	0.284	S	S	*	.			trans	-118.9	79.5	-178	59.1	0	0	0	0	113	L391	T389-L391 VanDerWaalsContact C-N 3.35Å; T389-L391 PolarHBondContact O-N 2.94Å
390	G	65.1	Low	80.6	Confident	18 Å²	18	50 Å²	50	19%	0.186	28%	0.283	C	S	.	.			trans	-73.5	75.8	175.9	0	0	0	0	0	113.7	K392 E393 L394	G390-K392 VanDerWaalsContact C-N 3.3Å; G390-K392 PolarHBondContact O-N 3.23Å; G390-E393 WeakPolarHBondContact CA-OE2 3.36Å; G390-E393 PolarHBondContact O-N 3.03Å; G390-L394 WeakPolarHBondContact O-CB 3.49Å; G390-L394 VanDerWaalsContact O-CG 3.29Å; G390-L394 WeakPolarHBondContact O-CG 3.27Å; G390-L394 PolarHBondContact O-N 2.68Å
391	L	73.9	Confident	80.6	Confident	138 Å²	138	50 Å²	50	72%	0.723	28%	0.283	S	S	*	.	H	α-helix	trans	-65.1	-25.6	-174.2	-75.6	170.1	0	0	0	114.7	T389 A395	T389-L391 VanDerWaalsContact C-N 3.35Å; T389-L391 PolarHBondContact O-N 2.94Å; L391-A395 WeakPolarHBondContact O-CB 3.38Å; L391-A395 PolarHBondContact O-N 3.34Å
392	K	78.1	Confident	80.6	Confident	157 Å²	157	52.6 Å²	52.6	68%	0.683	30%	0.296	S	S	*	.	H	α-helix	trans	-85.6	-36.5	179.6	-68.9	-178.5	176.8	-177	0	111.5	G390 A395 F396	G390-K392 VanDerWaalsContact C-N 3.3Å; G390-K392 PolarHBondContact O-N 3.23Å; K392-A395 WeakPolarHBondContact O-CB 3.47Å; K392-A395 PolarHBondContact O-N 3.38Å; K392-F396 PolarHBondContact O-N 3.05Å
393	E	81.2	Confident	80.6	Confident	61 Å²	61	53.2 Å²	53.2	29%	0.285	30%	0.298	S	S	.	.	H	α-helix	trans	-70.2	-45.9	-178.3	-58.8	64.3	-142.9	0	0	108.9	I348 G390 A395 F396 L397	I348-E393 HydrophobicContact CG1-CG 3.96Å; G390-E393 WeakPolarHBondContact CA-OE2 3.36Å; G390-E393 PolarHBondContact O-N 3.03Å; E393-A395 PolarHBondContact O-N 3.03Å; E393-F396 PolarHBondContact O-N 2.93Å; E393-L397 WeakPolarHBondContact O-CG 3.39Å; E393-L397 PolarHBondContact O-N 2.84Å
394	L	86.3	Confident	80.6	Confident	35 Å²	35	55.9 Å²	55.9	18%	0.183	31%	0.312	C	S	.	.	H	α-helix	trans	-60.3	-40.5	169.2	-73.9	170.1	0	0	0	112.7	A382 M384 G390 F396 L397 R398 M423 V425	A382-L394 HydrophobicContact CB-CD2 3.49Å; A382-L394 VanDerWaalsContact CB-CD2 3.49Å; M384-L394 HydrophobicContact CE-CD1 4.1Å; M384-L394 HydrophobicContact SD-CD1 3.96Å; M384-L394 HydrophobicContact SD-CD2 3.82Å; M384-L394 HydrophobicContact SD-CG 4.18Å; G390-L394 WeakPolarHBondContact O-CB 3.49Å; G390-L394 VanDerWaalsContact O-CG 3.29Å; G390-L394 WeakPolarHBondContact O-CG 3.27Å; G390-L394 PolarHBondContact O-N 2.68Å; L394-F396 PolarHBondContact O-N 2.71Å; L394-L397 PolarHBondContact O-N 3.32Å; L394-R398 PolarHBondContact O-N 2.81Å; L394-M423 HydrophobicContact CB-CE 4.21Å; L394-M423 HydrophobicContact CD2-CE 3.92Å; L394-M423 HydrophobicContact CD2-SD 3.91Å; L394-M423 WeakPolarHBondContact O-CE 3.46Å; L394-V425 HydrophobicContact CD2-CG2 3.9Å
395	A	87.7	Confident	80.8	Confident	27 Å²	27	55 Å²	55	22%	0.223	31%	0.309	C	S	.	.	H	α-helix	trans	-61.2	-45.9	176.9	0	0	0	0	0	111.1	L391 K392 E393 R398 D399	L391-A395 WeakPolarHBondContact O-CB 3.38Å; L391-A395 PolarHBondContact O-N 3.34Å; K392-A395 WeakPolarHBondContact O-CB 3.47Å; K392-A395 PolarHBondContact O-N 3.38Å; E393-A395 PolarHBondContact O-N 3.03Å; A395-R398 PolarHBondContact O-N 3.47Å; A395-D399 PolarHBondContact O-N 3.15Å
396	F	89.4	Confident	81.3	Confident	1 Å²	1	55.1 Å²	55.1	0%	0.004	32%	0.322	C	S	.	.	H	α-helix	trans	-62	-46.6	176.1	173.9	-129.2	0	0	0	112.5	T349 K358 T361 K392 E393 L394 R398 D399 L400	T349-F396 HydrophobicContact CG2-CE1 4.04Å; K358-F396 HydrophobicContact CB-CD2 3.97Å; K358-F396 HydrophobicContact CB-CE2 3.64Å; K358-F396 HydrophobicContact CB-CZ 4.13Å; K358-F396 HydrophobicContact CD-CB 4.44Å; K358-F396 HydrophobicContact CD-CD2 4.05Å; K358-F396 HydrophobicContact CD-CE2 4.46Å; K358-F396 HydrophobicContact CD-CG 4.1Å; K358-F396 HydrophobicContact CG-CD1 4.15Å; K358-F396 HydrophobicContact CG-CD2 3.66Å; K358-F396 HydrophobicContact CG-CE1 4.06Å; K358-F396 HydrophobicContact CG-CE2 3.57Å; K358-F396 HydrophobicContact CG-CG 3.96Å; K358-F396 HydrophobicContact CG-CZ 3.78Å; T361-F396 HydrophobicContact CG2-CZ 4.37Å; K392-F396 PolarHBondContact O-N 3.05Å; E393-F396 PolarHBondContact O-N 2.93Å; L394-F396 PolarHBondContact O-N 2.71Å; F396-R398 PolarHBondContact O-N 3.11Å; F396-D399 PolarHBondContact O-N 3.11Å; F396-D399 VanDerWaalsContact O-N 3.09Å; F396-L400 HydrophobicContact CD1-CD1 4.4Å; F396-L400 HydrophobicContact CD2-CD1 4.47Å; F396-L400 HydrophobicContact CD2-CG 4.12Å; F396-L400 HydrophobicContact CE1-CD1 3.94Å; F396-L400 HydrophobicContact CE2-CD1 4.01Å; F396-L400 HydrophobicContact CE2-CD2 3.71Å; F396-L400 HydrophobicContact CE2-CG 3.73Å; F396-L400 HydrophobicContact CZ-CD1 3.72Å; F396-L400 HydrophobicContact CZ-CD2 3.95Å; F396-L400 HydrophobicContact CZ-CG 3.98Å; F396-L400 WeakPolarHBondContact O-CG 3.37Å; F396-L400 PolarHBondContact O-N 3.16Å
397	L	91.3	Very high	82.5	Confident	1 Å²	1	55 Å²	55	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-60.7	-32.2	176.6	-70	177.1	0	0	0	112.7	Y343 T380 A382 E393 L394 L400 A401 M423	Y343-L397 HydrophobicContact CD1-CD2 4.03Å; Y343-L397 HydrophobicContact CE1-CD2 3.91Å; T380-L397 WeakPolarHBondContact CG2-O 3.38Å; T380-L397 PolarHBondContact OG1-O 2.94Å; A382-L397 HydrophobicContact CB-CD1 3.53Å; E393-L397 WeakPolarHBondContact O-CG 3.39Å; E393-L397 PolarHBondContact O-N 2.84Å; L394-L397 PolarHBondContact O-N 3.32Å; L397-L400 HydrophobicContact CD2-CD1 4.22Å; L397-A401 PolarHBondContact O-N 2.62Å; L397-M423 HydrophobicContact CB-CG 4.05Å
398	R	92.7	Very high	83.8	Confident	120 Å²	120	52.5 Å²	52.5	45%	0.453	28%	0.28	S	S	.	.	H	α-helix	trans	-71	-45	170.8	-171.1	-176.6	64.7	-151.1	-6.3	112.1	L394 A395 F396 L400 A401 E402 M423	L394-R398 PolarHBondContact O-N 2.81Å; A395-R398 PolarHBondContact O-N 3.47Å; F396-R398 PolarHBondContact O-N 3.11Å; R398-L400 PolarHBondContact O-N 3.25Å; R398-A401 PolarHBondContact O-N 3.43Å; R398-A401 VanDerWaalsContact O-N 3.14Å; R398-E402 WeakPolarHBondContact CD-OE1 3.33Å; R398-E402 HydrophobicContact CG-CG 4.32Å; R398-E402 WeakPolarHBondContact CG-OE1 3.46Å; R398-E402 IonicContact NE-OE1 2.67Å; R398-E402 WeakPolarHBondContact O-CB 3.3Å; R398-E402 PolarHBondContact O-N 3.42Å; R398-M423 HydrophobicContact CB-CB 4.3Å; R398-M423 HydrophobicContact CB-CE 3.97Å
399	D	92.1	Very high	84.8	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.016	28%	0.28	C	S	.	.	H	α-helix	trans	-61.3	-31.2	178.4	-57.8	-51	0	0	0	112	A395 F396 Q403 N404 K407 Y408	A395-D399 PolarHBondContact O-N 3.15Å; F396-D399 PolarHBondContact O-N 3.11Å; F396-D399 VanDerWaalsContact O-N 3.09Å; D399-Q403 WeakPolarHBondContact O-CA 3.32Å; D399-Q403 PolarHBondContact O-N 2.87Å; D399-N404 HydrophobicContact CB-CB 4.36Å; D399-N404 PolarHBondContact O-N 2.86Å; D399-K407 WeakPolarHBondContact OD1-CD 3.22Å; D399-K407 IonicContact OD1-NZ 3.12Å; D399-K407 PolarHBondContact OD1-NZ 3.16Å; D399-K407 IonicContact OD2-NZ 3.56Å; D399-K407 PolarHBondContact OD2-NZ 3.41Å; D399-Y408 HydrophobicContact CB-CE2 4.03Å; D399-Y408 PolarHBondContact OD2-OH 3.42Å; D399-Y408 VanDerWaalsContact OD2-OH 3.12Å
400	L	93.7	Very high	86.1	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.8	-48.3	170.7	-70.3	176.8	0	0	0	112.5	F317 Y343 T361 L362 I365 T380 F396 L397 R398 Q403	F317-L400 HydrophobicContact CE2-CD1 4.25Å; F317-L400 HydrophobicContact CZ-CD1 4.47Å; Y343-L400 HydrophobicContact CE1-CD1 4.5Å; T361-L400 HydrophobicContact CG2-CD2 3.91Å; L362-L400 HydrophobicContact CD2-CD2 3.97Å; L362-L400 HydrophobicContact CG-CD2 3.97Å; I365-L400 HydrophobicContact CD1-CD2 3.52Å; T380-L400 HydrophobicContact CG2-CB 4.08Å; F396-L400 HydrophobicContact CD1-CD1 4.4Å; F396-L400 HydrophobicContact CD2-CD1 4.47Å; F396-L400 HydrophobicContact CD2-CG 4.12Å; F396-L400 HydrophobicContact CE1-CD1 3.94Å; F396-L400 HydrophobicContact CE2-CD1 4.01Å; F396-L400 HydrophobicContact CE2-CD2 3.71Å; F396-L400 HydrophobicContact CE2-CG 3.73Å; F396-L400 HydrophobicContact CZ-CD1 3.72Å; F396-L400 HydrophobicContact CZ-CD2 3.95Å; F396-L400 HydrophobicContact CZ-CG 3.98Å; F396-L400 WeakPolarHBondContact O-CG 3.37Å; F396-L400 PolarHBondContact O-N 3.16Å; L397-L400 HydrophobicContact CD2-CD1 4.22Å; R398-L400 PolarHBondContact O-N 3.25Å; L400-Q403 WeakPolarHBondContact O-CG 3.49Å; L400-Q403 PolarHBondContact O-N 2.99Å; L400-Q403 VanDerWaalsContact O-N 3.08Å
401	A	94.1	Very high	86.6	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-66.3	-38.6	179.2	0	0	0	0	0	112.7	I378 T380 L397 R398 Q403 G421 S422 M423	I378-A401 WeakPolarHBondContact O-CA 3.18Å; I378-A401 WeakPolarHBondContact O-CB 3.36Å; T380-A401 HydrophobicContact CG2-CB 4.13Å; L397-A401 PolarHBondContact O-N 2.62Å; R398-A401 PolarHBondContact O-N 3.43Å; R398-A401 VanDerWaalsContact O-N 3.14Å; A401-Q403 PolarHBondContact O-N 3.15Å; A401-G421 PolarHBondContact O-N 2.82Å; A401-S422 WeakPolarHBondContact CB-O 3.27Å; A401-M423 HydrophobicContact CB-CB 4.46Å
402	E	93.8	Very high	86.4	Confident	56 Å²	56	46.7 Å²	46.7	26%	0.262	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-7.2	172.3	-70.4	-167.9	-130.8	0	0	113.7	R398 N404 K420	R398-E402 WeakPolarHBondContact CD-OE1 3.33Å; R398-E402 HydrophobicContact CG-CG 4.32Å; R398-E402 WeakPolarHBondContact CG-OE1 3.46Å; R398-E402 IonicContact NE-OE1 2.67Å; R398-E402 WeakPolarHBondContact O-CB 3.3Å; R398-E402 PolarHBondContact O-N 3.42Å; E402-N404 VanDerWaalsContact C-N 3.26Å; E402-N404 HydrophobicContact CB-CB 4.43Å; E402-N404 PolarHBondContact O-N 2.66Å; E402-K420 HydrophobicContact CB-CD 4.44Å; E402-K420 HydrophobicContact CG-CD 4.47Å; E402-K420 IonicContact OE2-NZ 3.32Å; E402-K420 PolarHBondContact OE2-NZ 2.82Å; E402-K420 VanDerWaalsContact OE2-NZ 3.1Å
403	Q	92.3	Very high	85.9	Confident	14 Å²	14	47.5 Å²	47.5	7%	0.065	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	40.9	-175.9	-57.4	-170.2	67.7	0	0	113.1	I365 N369 V376 I378 D399 L400 A401 S405 V418 I419	I365-Q403 HydrophobicContact CG2-CG 4.26Å; N369-Q403 PolarHBondContact ND2-OE1 3.44Å; V376-Q403 PolarHBondContact O-NE2 2.73Å; I378-Q403 HydrophobicContact CD1-CG 4.08Å; I378-Q403 HydrophobicContact CG1-CG 4.41Å; D399-Q403 WeakPolarHBondContact O-CA 3.32Å; D399-Q403 PolarHBondContact O-N 2.87Å; L400-Q403 WeakPolarHBondContact O-CG 3.49Å; L400-Q403 PolarHBondContact O-N 2.99Å; L400-Q403 VanDerWaalsContact O-N 3.08Å; A401-Q403 PolarHBondContact O-N 3.15Å; Q403-S405 VanDerWaalsContact C-N 3.27Å; Q403-S405 PolarHBondContact O-N 2.93Å; Q403-V418 HydrophobicContact CB-CG1 3.69Å; Q403-V418 HydrophobicContact CG-CG1 4.02Å; Q403-V418 VanDerWaalsContact NE2-CG1 3.35Å; Q403-I419 PolarHBondContact NE2-O 2.89Å
404	N	89.4	Confident	85.2	Confident	59 Å²	59	47 Å²	47	32%	0.316	26%	0.256	S	S	.	.			trans	-80.7	63.8	-170.7	-166.5	-9.3	0	0	0	112.9	D399 E402 G406 K407	D399-N404 HydrophobicContact CB-CB 4.36Å; D399-N404 PolarHBondContact O-N 2.86Å; E402-N404 VanDerWaalsContact C-N 3.26Å; E402-N404 HydrophobicContact CB-CB 4.43Å; E402-N404 PolarHBondContact O-N 2.66Å; N404-G406 VanDerWaalsContact C-N 3.33Å; N404-G406 PolarHBondContact O-N 3.38Å; N404-K407 PolarHBondContact O-N 3.23Å; N404-K407 PolarHBondContact OD1-N 3.35Å
405	S	86.6	Confident	84.2	Confident	12 Å²	12	50.5 Å²	50.5	8%	0.084	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-59.4	-38.7	-178.8	59.9	0	0	0	0	113.2	N366 Q403 K407 Y408 V410	N366-S405 VanDerWaalsContact OD1-CB 3.3Å; N366-S405 WeakPolarHBondContact OD1-CB 3.37Å; N366-S405 PolarHBondContact OD1-OG 3.32Å; Q403-S405 VanDerWaalsContact C-N 3.27Å; Q403-S405 PolarHBondContact O-N 2.93Å; S405-K407 VanDerWaalsContact C-N 3.3Å; S405-K407 PolarHBondContact O-N 2.8Å; S405-Y408 PolarHBondContact O-N 2.7Å; S405-Y408 VanDerWaalsContact O-N 3.09Å; S405-V410 CarbonylContact C-O 3.51Å; S405-V410 PolarHBondContact O-N 2.64Å
406	G	84.9	Confident	83.8	Confident	51 Å²	51	53.4 Å²	53.4	53%	0.526	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-58.4	-35.9	-179.2	0	0	0	0	0	114.2	N404 Y408 G409	N404-G406 VanDerWaalsContact C-N 3.33Å; N404-G406 PolarHBondContact O-N 3.38Å; G406-Y408 PolarHBondContact O-N 3.31Å; G406-G409 PolarHBondContact O-N 3.38Å
407	K	86.3	Confident	83.6	Confident	108 Å²	108	58.8 Å²	58.8	47%	0.47	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-57.5	-29.8	176.7	-177.2	-175.4	179.2	-169.9	0	113.3	D399 N404 S405	D399-K407 WeakPolarHBondContact OD1-CD 3.22Å; D399-K407 IonicContact OD1-NZ 3.12Å; D399-K407 PolarHBondContact OD1-NZ 3.16Å; D399-K407 IonicContact OD2-NZ 3.56Å; D399-K407 PolarHBondContact OD2-NZ 3.41Å; N404-K407 PolarHBondContact O-N 3.23Å; N404-K407 PolarHBondContact OD1-N 3.35Å; S405-K407 VanDerWaalsContact C-N 3.3Å; S405-K407 PolarHBondContact O-N 2.8Å
408	Y	84.6	Confident	83.4	Confident	33 Å²	33	60.7 Å²	60.7	13%	0.129	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-98.9	9.5	-178.2	-69	-94.3	0	0	0	113	K358 K359 L362 D399 S405 G406	K358-Y408 HydrophobicContact CB-CD1 4.12Å; K358-Y408 HydrophobicContact CB-CE1 3.71Å; K358-Y408 HydrophobicContact CD-CE1 4.15Å; K359-Y408 VanDerWaalsContact CD-O 3.3Å; K359-Y408 WeakPolarHBondContact CD-O 3.31Å; K359-Y408 WeakPolarHBondContact CE-O 3.3Å; K359-Y408 PolarHBondContact NZ-O 2.85Å; L362-Y408 HydrophobicContact CD1-CD2 3.17Å; L362-Y408 HydrophobicContact CD1-CE2 3.42Å; L362-Y408 VanDerWaalsContact CD1-CE2 3.42Å; L362-Y408 HydrophobicContact CD1-CG 3.83Å; D399-Y408 HydrophobicContact CB-CE2 4.03Å; D399-Y408 PolarHBondContact OD2-OH 3.42Å; D399-Y408 VanDerWaalsContact OD2-OH 3.12Å; S405-Y408 PolarHBondContact O-N 2.7Å; S405-Y408 VanDerWaalsContact O-N 3.09Å; G406-Y408 PolarHBondContact O-N 3.31Å
409	G	82	Confident	83.3	Confident	54 Å²	54	57.9 Å²	57.9	56%	0.557	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	36.6	-177.6	0	0	0	0	0	112.6	G406	G406-G409 PolarHBondContact O-N 3.38Å
410	V	82.4	Confident	83.2	Confident	8 Å²	8	63.7 Å²	63.7	5%	0.048	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-101	119.8	165.6	176.6	0	0	0	0	107.2	K359 R363 N366 S405	K359-V410 HydrophobicContact CG-CG2 4.14Å; R363-V410 HydrophobicContact CB-CG1 4.44Å; R363-V410 HydrophobicContact CB-CG2 4.16Å; N366-V410 HydrophobicContact CB-CG1 4.17Å; S405-V410 CarbonylContact C-O 3.51Å; S405-V410 PolarHBondContact O-N 2.64Å
411	P	76.6	Confident	83.1	Confident	93 Å²	93	64.4 Å²	64.4	60%	0.604	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-74.8	137.4	178.1	30	-33.4	0	0	0	111.1	N366	N366-P411 PolarHBondContact ND2-O 2.93Å
412	D	69.5	Low	83.1	Confident	86 Å²	86	65.9 Å²	65.9	46%	0.46	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-63.8	137.1	165.4	-163.3	-27	0	0	0	109.1	T414	D412-T414 PolarHBondContact OD1-N 3.44Å; D412-T414 PolarHBondContact OD1-OG1 2.98Å
413	R	66.5	Low	83	Confident	175 Å²	175	65.7 Å²	65.7	66%	0.66	38%	0.384	S	S	*	.			trans	-107.9	-0.3	178.9	-67.9	-169.9	-176.1	142.6	10.4	112.8	E367	E367-R413 IonicContact OE1-CZ 3.9Å; E367-R413 IonicContact OE1-NH1 3.3Å; E367-R413 PolarHBondContact OE1-NH1 3.08Å; E367-R413 IonicContact OE1-NH2 2.7Å; E367-R413 PolarHBondContact OE1-NH2 3.28Å
414	T	67.1	Low	82.9	Confident	49 Å²	49	67.5 Å²	67.5	30%	0.301	39%	0.393	S	S	.	.			trans	-121.2	150.9	-166.6	31.7	0	0	0	0	112.6	N374 D412	N374-T414 PolarHBondContact ND2-OG1 3.09Å; D412-T414 PolarHBondContact OD1-N 3.44Å; D412-T414 PolarHBondContact OD1-OG1 2.98Å
415	A	65.4	Low	82.9	Confident	109 Å²	109	67.9 Å²	67.9	90%	0.901	40%	0.397	S	S	*	.	S	Bend	trans	-93.6	-2	175.4	0	0	0	0	0	113.4
416	L	78.6	Confident	82.9	Confident	89 Å²	89	67.5 Å²	67.5	47%	0.466	39%	0.394	S	S	.	.	S	Bend	trans	-100.6	130.1	-179.4	-67.3	176	0	0	0	110.2	N373 N374	N373-L416 HydrophobicContact CB-CD1 3.81Å; N374-L416 PolarHBondContact ND2-O 2.75Å
417	P	85.2	Confident	82.6	Confident	113 Å²	113	68 Å²	68	73%	0.734	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-67.8	142	-178.7	29.3	-35.3	0	0	0	111.6
418	V	88.4	Confident	82.2	Confident	42 Å²	42	66.8 Å²	66.8	26%	0.255	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-78.1	137	-179	-172.7	0	0	0	0	111.8	N374 Q403 K420	N374-V418 HydrophobicContact CB-CB 4.43Å; N374-V418 HydrophobicContact CB-CG2 4.08Å; Q403-V418 HydrophobicContact CB-CG1 3.69Å; Q403-V418 HydrophobicContact CG-CG1 4.02Å; Q403-V418 VanDerWaalsContact NE2-CG1 3.35Å; V418-K420 PolarHBondContact O-N 2.94Å
419	I	89.5	Confident	81.8	Confident	60 Å²	60	69.7 Å²	69.7	31%	0.308	40%	0.398	S	S	.	.			trans	-73.1	108.9	172.8	-58.7	-175.8	0	0	0	109.6	N374 M377 Q403	N374-I419 PolarHBondContact O-N 2.97Å; M377-I419 HydrophobicContact CB-CG2 4.11Å; M377-I419 HydrophobicContact CE-CG2 3.49Å; M377-I419 VanDerWaalsContact CE-CG2 3.49Å; M377-I419 HydrophobicContact CG-CG2 4.38Å; Q403-I419 PolarHBondContact NE2-O 2.89Å
420	K	91.4	Very high	81.3	Confident	126 Å²	126	70.6 Å²	70.6	55%	0.548	40%	0.396	S	S	.	.			trans	-73.2	132.6	174.2	-61.9	-166.9	170.1	-158.7	0	110.7	E402 V418	E402-K420 HydrophobicContact CB-CD 4.44Å; E402-K420 HydrophobicContact CG-CD 4.47Å; E402-K420 IonicContact OE2-NZ 3.32Å; E402-K420 PolarHBondContact OE2-NZ 2.82Å; E402-K420 VanDerWaalsContact OE2-NZ 3.1Å; V418-K420 PolarHBondContact O-N 2.94Å
421	G	91.8	Very high	81.1	Confident	15 Å²	15	72.6 Å²	72.6	16%	0.155	41%	0.406	C	S	.	.			trans	-96.9	-160.6	164.4	0	0	0	0	0	112	I378 A401	I378-G421 WeakPolarHBondContact O-CA 3.3Å; A401-G421 PolarHBondContact O-N 2.82Å
422	S	92.3	Very high	81.6	Confident	32 Å²	32	68.5 Å²	68.5	22%	0.224	38%	0.379	C	S	.	.			trans	-127.6	160.4	-177.8	65.8	0	0	0	0	112.1	T380 A401 N442	T380-S422 PolarHBondContact N-O 2.83Å; A401-S422 WeakPolarHBondContact CB-O 3.27Å; S422-N442 WeakPolarHBondContact CB-OD1 3.32Å; S422-N442 VanDerWaalsContact OG-CG 3.31Å; S422-N442 PolarHBondContact OG-OD1 2.99Å
423	M	92.1	Very high	82.3	Confident	51 Å²	51	67.7 Å²	67.7	25%	0.251	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.5	171.4	-174.2	-92.5	-71.3	0	0	109.9	T380 A382 L394 L397 R398 A401 V425	T380-M423 CarbonylContact O-C 3.46Å; T380-M423 VanDerWaalsContact O-CA 3.28Å; T380-M423 WeakPolarHBondContact O-CA 3.2Å; T380-M423 WeakPolarHBondContact OG1-CB 3.4Å; T380-M423 WeakPolarHBondContact OG1-CG 3.22Å; A382-M423 HydrophobicContact CB-SD 4.13Å; L394-M423 HydrophobicContact CB-CE 4.21Å; L394-M423 HydrophobicContact CD2-CE 3.92Å; L394-M423 HydrophobicContact CD2-SD 3.91Å; L394-M423 WeakPolarHBondContact O-CE 3.46Å; L397-M423 HydrophobicContact CB-CG 4.05Å; R398-M423 HydrophobicContact CB-CB 4.3Å; R398-M423 HydrophobicContact CB-CE 3.97Å; A401-M423 HydrophobicContact CB-CB 4.46Å; M423-V425 HydrophobicContact SD-CG2 4.27Å
424	M	90.6	Very high	83.2	Confident	53 Å²	53	60 Å²	60	26%	0.261	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	154.7	177.1	-62.8	-171.6	-178.3	0	0	110.4	T380 Y381 A382	T380-M424 PolarHBondContact O-N 2.94Å; Y381-M424 CarbonylContact C-O 3.51Å; Y381-M424 WeakPolarHBondContact CA-O 3.33Å; Y381-M424 HydrophobicContact CD1-CB 3.77Å; Y381-M424 HydrophobicContact CE1-CB 3.82Å; Y381-M424 HydrophobicContact CE1-CG 4.17Å; Y381-M424 HydrophobicContact CE1-SD 3.65Å; A382-M424 PolarHBondContact N-O 3.4Å
425	V	88.7	Confident	84.1	Confident	67 Å²	67	59.8 Å²	59.8	41%	0.406	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	133.4	177.8	176.3	0	0	0	0	109.9	A382 M384 L394 M423	A382-V425 HydrophobicContact CB-CG2 4.32Å; M384-V425 HydrophobicContact CB-CG1 4.27Å; M384-V425 HydrophobicContact CG-CG1 4.04Å; M384-V425 HydrophobicContact SD-CG1 3.51Å; M384-V425 VanDerWaalsContact SD-CG1 3.51Å; M384-V425 HydrophobicContact SD-CG2 4.2Å; L394-V425 HydrophobicContact CD2-CG2 3.9Å; M423-V425 HydrophobicContact SD-CG2 4.27Å
426	L	86.9	Confident	85.2	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	111.7	175.1	-58.2	-177.3	0	0	0	109.9	I246 A250 Y381 A382 L383 M384 L432 V436	I246-L426 HydrophobicContact CG2-CB 3.8Å; I246-L426 HydrophobicContact CG2-CD1 4.24Å; A250-L426 HydrophobicContact CB-CD1 4.09Å; Y381-L426 HydrophobicContact CD1-CD1 3.84Å; Y381-L426 HydrophobicContact CD1-CD2 3.92Å; Y381-L426 HydrophobicContact CD1-CG 3.87Å; Y381-L426 HydrophobicContact CE1-CD2 4.5Å; Y381-L426 HydrophobicContact CG-CD1 4.15Å; Y381-L426 HydrophobicContact CG-CG 4.48Å; A382-L426 PolarHBondContact O-N 2.93Å; L383-L426 HydrophobicContact CD2-CD1 4.39Å; M384-L426 PolarHBondContact N-O 2.71Å; L426-L432 HydrophobicContact CD1-CD2 4.06Å; L426-L432 HydrophobicContact CD2-CD2 3.92Å; L426-L432 HydrophobicContact CG-CD2 4.4Å; L426-V436 HydrophobicContact CD1-CG2 3.83Å; L426-V436 HydrophobicContact CD2-CG2 3.81Å; L426-V436 HydrophobicContact CG-CG2 4.49Å
427	N	79.6	Confident	85.6	Confident	61 Å²	61	50.4 Å²	50.4	33%	0.326	28%	0.279	S	S	.	.			trans	-119.1	-18.9	175.7	69.5	-42.2	0	0	0	114.2	M384 D386	M384-N427 WeakPolarHBondContact O-CA 3.43Å; D386-N427 PolarHBondContact OD1-ND2 3.48Å
428	Q	77.3	Confident	85.7	Confident	82 Å²	82	47.8 Å²	47.8	38%	0.383	26%	0.255	S	S	.	.			trans	-135	135	-172.6	-73.1	173.5	1.8	0	0	112.2	S430	Q428-S430 VanDerWaalsContact C-N 3.28Å; Q428-S430 PolarHBondContact O-N 2.74Å
429	L	75	Confident	85.8	Confident	94 Å²	94	45.8 Å²	45.8	49%	0.492	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-64.6	-29.2	178	-65.1	170.2	0	0	0	113	I246 D249 N431 L432	I246-L429 HydrophobicContact CB-CD2 4.32Å; I246-L429 HydrophobicContact CG1-CD2 3.63Å; I246-L429 HydrophobicContact CG1-CG 4.18Å; D249-L429 HydrophobicContact CB-CD2 4.33Å; L429-N431 PolarHBondContact O-N 3.42Å; L429-L432 HydrophobicContact CD2-CD1 4.01Å; L429-L432 WeakPolarHBondContact O-CG 3.29Å
430	S	73	Confident	85.7	Confident	73 Å²	73	43 Å²	43	51%	0.51	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-69	-15.2	-172.3	58.6	0	0	0	0	115.4	Q428	Q428-S430 VanDerWaalsContact C-N 3.28Å; Q428-S430 PolarHBondContact O-N 2.74Å
431	N	78.2	Confident	85.5	Confident	50 Å²	50	39.7 Å²	39.7	27%	0.267	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-118.2	10.5	-172.5	-59.6	-21.1	0	0	0	112.8	L429 E433 T434 T435	L429-N431 PolarHBondContact O-N 3.42Å; N431-E433 PolarHBondContact O-N 3.07Å; N431-T434 PolarHBondContact O-N 2.58Å; N431-T434 PolarHBondContact O-OG1 2.8Å; N431-T435 PolarHBondContact O-N 3.07Å; N431-T435 VanDerWaalsContact O-N 3.14Å; N431-T435 PolarHBondContact O-OG1 2.77Å
432	L	86.4	Confident	85.3	Confident	7 Å²	7	41 Å²	41	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-65.2	-37.4	-175	-65	-179.3	0	0	0	112.8	I246 D249 A250 V253 L426 L429 T434 T435 V436 G437	I246-L432 HydrophobicContact CG2-CD2 4.26Å; D249-L432 HydrophobicContact CB-CD1 3.75Å; A250-L432 HydrophobicContact CB-CD2 4.47Å; V253-L432 HydrophobicContact CG2-CB 4.29Å; L426-L432 HydrophobicContact CD1-CD2 4.06Å; L426-L432 HydrophobicContact CD2-CD2 3.92Å; L426-L432 HydrophobicContact CG-CD2 4.4Å; L429-L432 HydrophobicContact CD2-CD1 4.01Å; L429-L432 WeakPolarHBondContact O-CG 3.29Å; L432-T434 VanDerWaalsContact C-N 3.3Å; L432-T434 PolarHBondContact O-N 3.45Å; L432-T435 PolarHBondContact O-N 3.19Å; L432-V436 HydrophobicContact CB-CG2 4.48Å; L432-V436 HydrophobicContact CD2-CG2 4.07Å; L432-V436 WeakPolarHBondContact O-CA 3.41Å; L432-V436 WeakPolarHBondContact O-CB 3.48Å; L432-V436 PolarHBondContact O-N 2.97Å; L432-G437 PolarHBondContact O-N 3.29Å
433	E	84.3	Confident	84.9	Confident	70 Å²	70	39.9 Å²	39.9	33%	0.327	21%	0.213	S	C	.	.	H	α-helix	trans	-60.5	-40.7	174.4	-56.8	-179.2	137.1	0	0	111.4	S209 E211 V253 N431 G437	S209-E433 PolarHBondContact OG-OE2 2.77Å; E211-E433 HydrophobicContact CB-CB 3.7Å; E211-E433 HydrophobicContact CG-CB 3.97Å; V253-E433 HydrophobicContact CG2-CG 4.36Å; N431-E433 PolarHBondContact O-N 3.07Å; E433-G437 VanDerWaalsContact O-CA 3.3Å; E433-G437 WeakPolarHBondContact O-CA 3.24Å; E433-G437 PolarHBondContact O-N 2.93Å
434	T	85.1	Confident	84.3	Confident	14 Å²	14	39.8 Å²	39.8	9%	0.086	22%	0.217	C	C	.	.	H	α-helix	trans	-77.9	-23.3	-176.2	74	0	0	0	0	113.9	S156 T158 N431 L432	S156-T434 WeakPolarHBondContact OG-CG2 3.43Å; T158-T434 HydrophobicContact CG2-CG2 4.2Å; N431-T434 PolarHBondContact O-N 2.58Å; N431-T434 PolarHBondContact O-OG1 2.8Å; L432-T434 VanDerWaalsContact C-N 3.3Å; L432-T434 PolarHBondContact O-N 3.45Å
435	T	86.2	Confident	83.4	Confident	44 Å²	44	43 Å²	43	27%	0.27	24%	0.235	S	C	.	.	H	α-helix	trans	-107.9	-44.4	-174.6	50.8	0	0	0	0	113.2	Y381 N431 L432	Y381-T435 PolarHBondContact OH-O 3.07Å; N431-T435 PolarHBondContact O-N 3.07Å; N431-T435 VanDerWaalsContact O-N 3.14Å; N431-T435 PolarHBondContact O-OG1 2.77Å; L432-T435 PolarHBondContact O-N 3.19Å
436	V	89	Confident	82.7	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-41.4	-179.6	-164.8	0	0	0	0	110.6	A250 V253 I254 Y381 L426 L432 R438 F439	A250-V436 HydrophobicContact CB-CG1 4.19Å; A250-V436 HydrophobicContact CB-CG2 3.95Å; V253-V436 HydrophobicContact CG1-CB 4.35Å; I254-V436 HydrophobicContact CD1-CG1 3.69Å; I254-V436 HydrophobicContact CG1-CG1 3.53Å; Y381-V436 HydrophobicContact CD1-CG2 4.16Å; Y381-V436 HydrophobicContact CE1-CB 4.3Å; Y381-V436 HydrophobicContact CE1-CG1 4.32Å; Y381-V436 HydrophobicContact CE1-CG2 3.93Å; Y381-V436 HydrophobicContact CE2-CG1 4.5Å; L426-V436 HydrophobicContact CD1-CG2 3.83Å; L426-V436 HydrophobicContact CD2-CG2 3.81Å; L426-V436 HydrophobicContact CG-CG2 4.49Å; L432-V436 HydrophobicContact CB-CG2 4.48Å; L432-V436 HydrophobicContact CD2-CG2 4.07Å; L432-V436 WeakPolarHBondContact O-CA 3.41Å; L432-V436 WeakPolarHBondContact O-CB 3.48Å; L432-V436 PolarHBondContact O-N 2.97Å; V436-R438 PolarHBondContact O-N 2.91Å; V436-R438 VanDerWaalsContact O-N 3.1Å; V436-F439 WeakPolarHBondContact O-CB 3.39Å; V436-F439 PolarHBondContact O-N 3.21Å; V436-F439 VanDerWaalsContact O-N 3.09Å
437	G	85.9	Confident	82.4	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.5	177.5	0	0	0	0	0	114.3	L432 E433	L432-G437 PolarHBondContact O-N 3.29Å; E433-G437 VanDerWaalsContact O-CA 3.3Å; E433-G437 WeakPolarHBondContact O-CA 3.24Å; E433-G437 PolarHBondContact O-N 2.93Å
438	R	89	Confident	82.6	Confident	58 Å²	58	47 Å²	47	22%	0.219	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	21.9	175.6	-67.8	177.8	67.3	-154.2	5.9	114.4	E192 R213 V436 Y440 T441	E192-R438 PolarHBondContact O-NH2 3.25Å; E192-R438 IonicContact OE1-CZ 2.92Å; E192-R438 IonicContact OE1-NE 3.7Å; E192-R438 IonicContact OE1-NH2 3.63Å; E192-R438 PolarHBondContact OE1-NH2 2.93Å; R213-R438 HydrophobicContact CB-CG 4.04Å; V436-R438 PolarHBondContact O-N 2.91Å; V436-R438 VanDerWaalsContact O-N 3.1Å; R438-Y440 HydrophobicContact CB-CE1 4.18Å; R438-Y440 HydrophobicContact CG-CE1 4.12Å; R438-Y440 PolarHBondContact O-N 2.93Å; R438-Y440 VanDerWaalsContact O-N 3.09Å; R438-T441 HydrophobicContact CB-CG2 4.16Å; R438-T441 WeakPolarHBondContact O-CB 3.39Å; R438-T441 WeakPolarHBondContact O-CG2 3.37Å; R438-T441 PolarHBondContact O-N 3.25Å; R438-T441 PolarHBondContact O-OG1 3.45Å
439	F	89.6	Confident	83.1	Confident	1 Å²	1	46.7 Å²	46.7	0%	0.004	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-51.3	-35.3	179.1	75.4	-84	0	0	0	113.4	I229 A257 I258 I342 L379 V436 T441 N442	I229-F439 HydrophobicContact CD1-CE2 3.91Å; I229-F439 HydrophobicContact CD1-CZ 3.94Å; A257-F439 HydrophobicContact CB-CE1 4.26Å; I258-F439 HydrophobicContact CG2-CE1 4.46Å; I258-F439 HydrophobicContact CG2-CZ 4.07Å; I342-F439 HydrophobicContact CD1-CB 4.4Å; I342-F439 HydrophobicContact CD1-CD2 4.12Å; I342-F439 HydrophobicContact CD1-CG 4.21Å; L379-F439 HydrophobicContact CD1-CB 4Å; V436-F439 WeakPolarHBondContact O-CB 3.39Å; V436-F439 PolarHBondContact O-N 3.21Å; V436-F439 VanDerWaalsContact O-N 3.09Å; F439-T441 PolarHBondContact O-N 3.37Å; F439-T441 VanDerWaalsContact O-N 3.15Å; F439-N442 PolarHBondContact O-N 3.31Å; F439-N442 PolarHBondContact O-ND2 3.42Å
440	Y	87.4	Confident	83.7	Confident	1 Å²	1	48.5 Å²	48.5	0%	0.004	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-61.1	-19.3	-179.9	68.5	-94.4	0	0	0	114.3	R213 Y218 V219 V222 R223 R438 N442 L443	R213-Y440 WeakPolarHBondContact O-CE1 3.35Å; Y218-Y440 AromaticContact CD1-CZ 3.94Å; Y218-Y440 HydrophobicContact CE1-CE2 4.34Å; Y218-Y440 AromaticContact CE1-CZ 3.95Å; Y218-Y440 VanDerWaalsContact CE1-OH 3.24Å; Y218-Y440 WeakPolarHBondContact CE1-OH 3.48Å; V219-Y440 HydrophobicContact CB-CD1 4.33Å; V219-Y440 HydrophobicContact CG1-CD1 4.09Å; V219-Y440 HydrophobicContact CG1-CG 4.17Å; V219-Y440 HydrophobicContact CG2-CD1 3.64Å; V219-Y440 HydrophobicContact CG2-CE1 3.9Å; V219-Y440 HydrophobicContact CG2-CG 4.46Å; V222-Y440 HydrophobicContact CB-CE2 4.47Å; V222-Y440 HydrophobicContact CG1-CD2 4.34Å; V222-Y440 HydrophobicContact CG1-CE2 4.19Å; R223-Y440 HydrophobicContact CG-CD2 4.33Å; R438-Y440 HydrophobicContact CB-CE1 4.18Å; R438-Y440 HydrophobicContact CG-CE1 4.12Å; R438-Y440 PolarHBondContact O-N 2.93Å; R438-Y440 VanDerWaalsContact O-N 3.09Å; Y440-N442 PolarHBondContact O-N 3.35Å; Y440-L443 WeakPolarHBondContact O-CB 3.25Å; Y440-L443 PolarHBondContact O-N 3.19Å; Y440-L443 VanDerWaalsContact O-N 3.14Å
441	T	87.9	Confident	84.6	Confident	57 Å²	57	46.3 Å²	46.3	35%	0.35	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-66.4	-21.2	177.9	57.9	0	0	0	0	112.8	R438 F439	R438-T441 HydrophobicContact CB-CG2 4.16Å; R438-T441 WeakPolarHBondContact O-CB 3.39Å; R438-T441 WeakPolarHBondContact O-CG2 3.37Å; R438-T441 PolarHBondContact O-N 3.25Å; R438-T441 PolarHBondContact O-OG1 3.45Å; F439-T441 PolarHBondContact O-N 3.37Å; F439-T441 VanDerWaalsContact O-N 3.15Å
442	N	86.3	Confident	85.3	Confident	43 Å²	43	44.9 Å²	44.9	23%	0.23	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-80.2	-16.3	175.9	-55	-81.7	0	0	0	113	M377 L379 S422 F439 Y440	M377-N442 VanDerWaalsContact CE-O 3.29Å; M377-N442 WeakPolarHBondContact CE-O 3.4Å; M377-N442 HydrophobicContact SD-CB 4.2Å; L379-N442 HydrophobicContact CD1-CB 4.45Å; L379-N442 HydrophobicContact CD2-CB 3.79Å; S422-N442 WeakPolarHBondContact CB-OD1 3.32Å; S422-N442 VanDerWaalsContact OG-CG 3.31Å; S422-N442 PolarHBondContact OG-OD1 2.99Å; F439-N442 PolarHBondContact O-N 3.31Å; F439-N442 PolarHBondContact O-ND2 3.42Å; Y440-N442 PolarHBondContact O-N 3.35Å
443	L	85.5	Confident	85.6	Confident	7 Å²	7	45.4 Å²	45.4	4%	0.037	23%	0.233	C	C	.	.	S	Bend	trans	-65.9	147.6	-178.5	-66.6	173.7	0	0	0	111.5	R223 K227 D338 V340 M377 Y440 N445	R223-L443 HydrophobicContact CG-CD1 4.19Å; K227-L443 HydrophobicContact CD-CD1 4.48Å; D338-L443 HydrophobicContact CB-CD2 4.07Å; V340-L443 HydrophobicContact CG2-CD2 3.73Å; M377-L443 HydrophobicContact SD-CD2 4.34Å; Y440-L443 WeakPolarHBondContact O-CB 3.25Å; Y440-L443 PolarHBondContact O-N 3.19Å; Y440-L443 VanDerWaalsContact O-N 3.14Å; L443-N445 PolarHBondContact O-N 2.99Å
444	P	79	Confident	85.9	Confident	50 Å²	50	43 Å²	43	33%	0.325	22%	0.224	S	C	.	.			trans	-50.5	123.6	-173.8	-27.3	35.6	0	0	0	112.2	M377 R446	M377-P444 HydrophobicContact CE-CG 4.48Å; P444-R446 PolarHBondContact O-N 2.83Å
445	N	70.4	Confident	86.2	Confident	119 Å²	119	42.9 Å²	42.9	64%	0.636	22%	0.223	S	C	*	.			trans	-72.2	97.3	-166.9	-166.6	29.6	0	0	0	112.8	R223 L443	R223-N445 PolarHBondContact NH2-OD1 2.6Å; L443-N445 PolarHBondContact O-N 2.99Å
446	R	75.1	Confident	86.4	Confident	95 Å²	95	40.8 Å²	40.8	36%	0.358	21%	0.21	S	C	.	.			trans	-101.9	123	173.5	-66.6	163	174.5	-168.6	-8.3	107.8	R223 N336 P444 I448	R223-R446 PolarHBondContact NH1-O 2.78Å; R223-R446 VanDerWaalsContact NH1-O 3.08Å; N336-R446 PolarHBondContact OD1-NH1 3.2Å; P444-R446 PolarHBondContact O-N 2.83Å; R446-I448 HydrophobicContact CB-CD1 4.13Å; R446-I448 HydrophobicContact CB-CG1 4.19Å
447	M	80.8	Confident	86.4	Confident	101 Å²	101	44.3 Å²	44.3	50%	0.498	23%	0.226	S	C	.	.			trans	-82.1	117.8	168.9	-61.2	-168.4	-57.3	0	0	107.8	Y474 N477	M447-Y474 HydrophobicContact CG-CE1 4.45Å; M447-N477 HydrophobicContact SD-CB 4.15Å
448	I	83.3	Confident	86.5	Confident	21 Å²	21	46.9 Å²	46.9	11%	0.108	24%	0.243	C	C	.	.			trans	-128.6	118.2	-177.9	-58.4	168.2	0	0	0	105.6	P224 R446 E450 P472	P224-I448 HydrophobicContact CG-CD1 4.04Å; P224-I448 HydrophobicContact CG-CG2 3.93Å; R446-I448 HydrophobicContact CB-CD1 4.13Å; R446-I448 HydrophobicContact CB-CG1 4.19Å; I448-E450 HydrophobicContact CG2-CB 3.96Å; I448-E450 HydrophobicContact CG2-CG 3.89Å; I448-P472 WeakPolarHBondContact O-CG 3.18Å
449	D	87.4	Confident	86.5	Confident	75 Å²	75	44.5 Å²	44.5	40%	0.401	24%	0.235	S	C	.	.			trans	-111.9	45.8	-179.9	-162.1	-23.1	0	0	0	110.6	K107 K471	K107-D449 VanDerWaalsContact CE-OD1 3.25Å; K107-D449 WeakPolarHBondContact CE-OD1 3.38Å; K107-D449 WeakPolarHBondContact CE-OD2 3.48Å; K107-D449 VanDerWaalsContact NZ-CG 3.33Å; K107-D449 IonicContact NZ-OD1 3.8Å; K107-D449 PolarHBondContact NZ-OD1 3.43Å; K107-D449 IonicContact NZ-OD2 2.73Å; K107-D449 PolarHBondContact NZ-OD2 3.44Å; D449-K471 PolarHBondContact O-NZ 3.15Å; D449-K471 IonicContact OD1-NZ 2.65Å; D449-K471 PolarHBondContact OD1-NZ 3.32Å
450	E	88.8	Confident	86.3	Confident	132 Å²	132	50.7 Å²	50.7	62%	0.617	26%	0.264	S	S	*	.			trans	-96.1	152.7	175.8	-64.5	178.3	166.7	0	0	109.1	I448	I448-E450 HydrophobicContact CG2-CB 3.96Å; I448-E450 HydrophobicContact CG2-CG 3.89Å
451	A	91.9	Very high	86.3	Confident	28 Å²	28	52 Å²	52	23%	0.231	27%	0.271	C	S	.	.			trans	-85.9	133.8	175.5	0	0	0	0	0	109.9	L100 F453 S470 K471	L100-A451 HydrophobicContact CD1-CB 3.49Å; L100-A451 VanDerWaalsContact CD1-CB 3.49Å; A451-F453 HydrophobicContact CB-CE2 4.49Å; A451-S470 WeakPolarHBondContact CA-O 3.43Å; A451-K471 HydrophobicContact CB-CG 4.03Å
452	V	92.1	Very high	86.1	Confident	20 Å²	20	50.4 Å²	50.4	12%	0.121	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	130	177.5	179.9	0	0	0	0	109.5	P224 S470	P224-V452 HydrophobicContact CB-CG2 3.88Å; V452-S470 PolarHBondContact N-O 2.96Å; V452-S470 PolarHBondContact O-N 2.88Å; V452-S470 PolarHBondContact O-OG 3.1Å
453	F	92.3	Very high	85.7	Confident	18 Å²	18	52.6 Å²	52.6	8%	0.079	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126.5	172.4	-60.9	-88.9	0	0	0	108.1	F96 A451 T468 V469 T598 F600	F96-F453 HydrophobicContact CD1-CD1 4.06Å; F96-F453 AromaticContact CD1-CE1 3.6Å; F96-F453 HydrophobicContact CD1-CE1 3.6Å; F96-F453 HydrophobicContact CD1-CZ 4.44Å; F96-F453 AromaticContact CE1-CD1 4Å; F96-F453 HydrophobicContact CE1-CD1 4Å; F96-F453 HydrophobicContact CE1-CE1 4.03Å; F96-F453 HydrophobicContact CG-CE1 4.49Å; A451-F453 HydrophobicContact CB-CE2 4.49Å; F453-T468 WeakPolarHBondContact CA-O 3.47Å; F453-V469 HydrophobicContact CD1-CB 4.37Å; F453-V469 HydrophobicContact CD1-CG1 4.05Å; F453-V469 HydrophobicContact CD1-CG2 3.77Å; F453-V469 HydrophobicContact CE1-CB 4.25Å; F453-V469 HydrophobicContact CE1-CG1 3.59Å; F453-V469 HydrophobicContact CE1-CG2 3.7Å; F453-V469 HydrophobicContact CZ-CG1 4.08Å; F453-T598 HydrophobicContact CE1-CG2 4.39Å; F453-T598 HydrophobicContact CE2-CG2 4.07Å; F453-T598 HydrophobicContact CZ-CG2 3.82Å; F453-F600 HydrophobicContact CB-CE2 3.82Å; F453-F600 HydrophobicContact CB-CZ 3.73Å; F453-F600 HydrophobicContact CD1-CE2 4.02Å; F453-F600 AromaticContact CG-CE2 3.88Å; F453-F600 HydrophobicContact CG-CE2 3.88Å; F453-F600 HydrophobicContact CG-CZ 4.32Å
454	S	91.7	Very high	85.7	Confident	18 Å²	18	53.2 Å²	53.2	13%	0.126	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-72.4	165.3	174.7	77.8	0	0	0	0	111.3	M467 T468	S454-M467 VanDerWaalsContact O-CG 3.27Å; S454-M467 WeakPolarHBondContact O-CG 3.49Å; S454-M467 VanDerWaalsContact O-SD 3.36Å; S454-M467 WeakPolarHBondContact OG-CG 3.28Å; S454-T468 PolarHBondContact N-O 3.34Å; S454-T468 PolarHBondContact OG-N 2.89Å
455	L	90	Very high	86.2	Confident	12 Å²	12	51 Å²	51	6%	0.063	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-73.8	164.6	153.5	-64.4	-176.3	0	0	0	109.7	E260 D511 Y515 L517 H534	E260-L455 HydrophobicContact CB-CD1 3.82Å; E260-L455 HydrophobicContact CG-CD1 4.23Å; L455-D511 HydrophobicContact CD2-CB 4.46Å; L455-Y515 HydrophobicContact CD1-CD2 3.81Å; L455-Y515 HydrophobicContact CD1-CE2 4.28Å; L455-Y515 HydrophobicContact CD1-CG 4.33Å; L455-L517 HydrophobicContact CD2-CD1 4.27Å; L455-H534 HydrophobicContact CD1-CB 4.18Å
456	P	90.9	Very high	87.3	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-71.7	129.6	-177.2	-20.2	33.7	0	0	0	113.6	I466 L489 L517 H534	P456-I466 CarbonylContact C-O 3.58Å; P456-I466 WeakPolarHBondContact CA-O 3.49Å; P456-L489 HydrophobicContact CB-CD1 3.67Å; P456-L489 HydrophobicContact CB-CD2 3.66Å; P456-L489 HydrophobicContact CB-CG 4.23Å; P456-L489 HydrophobicContact CG-CD1 3.57Å; P456-L489 HydrophobicContact CG-CD2 4.24Å; P456-L517 HydrophobicContact CG-CD2 4.42Å; P456-L517 HydrophobicContact CG-CG 4.28Å; P456-H534 PolarHBondContact O-CE1 3.05Å; P456-H534 VanDerWaalsContact O-CE1 3.24Å
457	F	88.7	Confident	88.2	Confident	74 Å²	74	41 Å²	41	33%	0.325	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	176.1	-178.8	68.1	-81	0	0	0	112.3	L465 I466 T468	F457-L465 WeakPolarHBondContact O-CA 3.34Å; F457-I466 HydrophobicContact CD1-CG1 4.49Å; F457-I466 HydrophobicContact CD2-CD1 4.31Å; F457-I466 HydrophobicContact CD2-CG1 4.19Å; F457-I466 HydrophobicContact CE1-CD1 4.36Å; F457-I466 HydrophobicContact CE1-CG1 4.19Å; F457-I466 HydrophobicContact CE2-CD1 3.56Å; F457-I466 HydrophobicContact CE2-CG1 3.87Å; F457-I466 HydrophobicContact CG-CG1 4.49Å; F457-I466 HydrophobicContact CZ-CD1 3.58Å; F457-I466 HydrophobicContact CZ-CG1 3.87Å; F457-I466 PolarHBondContact N-O 3.42Å; F457-I466 PolarHBondContact O-N 2.86Å; F457-T468 WeakPolarHBondContact CE1-OG1 3.4Å; F457-T468 WeakPolarHBondContact CZ-OG1 3.44Å
458	S	89	Confident	88.8	Confident	53 Å²	53	36.1 Å²	36.1	37%	0.371	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	136.9	-177.7	-166.7	0	0	0	0	112.3	E460	S458-E460 PolarHBondContact O-N 3.28Å
459	D	89.5	Confident	89.4	Confident	9 Å²	9	35.2 Å²	35.2	5%	0.048	20%	0.195	C	C	.	.			trans	-73.4	98.9	178.7	-176.2	-2.4	0	0	0	111.3	K185 W186 M461 G462 D463 G464 I466	K185-D459 IonicContact NZ-OD2 2.64Å; K185-D459 PolarHBondContact NZ-OD2 3.19Å; W186-D459 PolarHBondContact NE1-OD1 3.45Å; W186-D459 PolarHBondContact NE1-OD2 3.29Å; D459-M461 PolarHBondContact O-N 3.29Å; D459-M461 PolarHBondContact OD1-N 2.75Å; D459-M461 VanDerWaalsContact OD1-N 3.15Å; D459-G462 VanDerWaalsContact CG-N 3.31Å; D459-G462 PolarHBondContact OD1-N 2.97Å; D459-G462 WeakPolarHBondContact OD2-CA 3.29Å; D459-D463 PolarHBondContact OD2-N 3.45Å; D459-G464 WeakPolarHBondContact CB-O 3.37Å; D459-G464 PolarHBondContact N-O 2.87Å; D459-I466 HydrophobicContact CB-CD1 4.02Å; D459-I466 HydrophobicContact CB-CG1 4.15Å; D459-I466 HydrophobicContact CB-CG2 4.17Å
460	E	84.4	Confident	89.8	Confident	130 Å²	130	31.6 Å²	31.6	61%	0.607	18%	0.176	S	C	*	.	S	Bend	trans	-66.2	-17.1	178.5	-74.9	-170.7	-169.7	0	0	114.4	R215 S458	R215-E460 IonicContact CZ-OE1 3.4Å; R215-E460 IonicContact CZ-OE2 3.22Å; R215-E460 VanDerWaalsContact NH1-CD 3.34Å; R215-E460 IonicContact NH1-OE1 4Å; R215-E460 PolarHBondContact NH1-OE1 3.38Å; R215-E460 IonicContact NH1-OE2 3.47Å; R215-E460 PolarHBondContact NH1-OE2 2.84Å; R215-E460 IonicContact NH2-OE1 2.82Å; R215-E460 IonicContact NH2-OE2 3.82Å; R215-E460 PolarHBondContact NH2-OE2 3.18Å; S458-E460 PolarHBondContact O-N 3.28Å
461	M	86.6	Confident	90.2	Very high	30 Å²	30	26.5 Å²	26.5	15%	0.148	15%	0.152	C	C	.	.	S	Bend	trans	-102.8	-32.9	-173.4	-74.1	163.2	38.3	0	0	112.8	W186 F196 V198 H202 F204 D459	W186-M461 HydrophobicContact CB-CE 4.15Å; W186-M461 HydrophobicContact CD2-CE 3.3Å; W186-M461 HydrophobicContact CE3-CE 3.6Å; W186-M461 HydrophobicContact CG-CE 3.53Å; W186-M461 HydrophobicContact CH2-CB 4.41Å; W186-M461 HydrophobicContact CH2-CE 4.37Å; W186-M461 HydrophobicContact CZ2-CB 3.64Å; W186-M461 HydrophobicContact CZ2-CE 4.13Å; W186-M461 HydrophobicContact CZ3-CE 4.13Å; F196-M461 HydrophobicContact CE1-SD 4.49Å; V198-M461 HydrophobicContact CB-CE 4.41Å; V198-M461 HydrophobicContact CG1-CE 4.21Å; V198-M461 HydrophobicContact CG2-CE 3.5Å; H202-M461 VanDerWaalsContact CE1-CE 3.41Å; H202-M461 WeakPolarHBondContact CE1-CE 3.43Å; H202-M461 VanDerWaalsContact CE1-CG 3.47Å; H202-M461 WeakPolarHBondContact CE1-CG 3.34Å; F204-M461 HydrophobicContact CE1-CG 4.1Å; F204-M461 HydrophobicContact CE1-SD 4.17Å; F204-M461 HydrophobicContact CZ-CE 4.38Å; F204-M461 HydrophobicContact CZ-CG 4.28Å; F204-M461 HydrophobicContact CZ-SD 3.93Å; D459-M461 PolarHBondContact O-N 3.29Å; D459-M461 PolarHBondContact OD1-N 2.75Å; D459-M461 VanDerWaalsContact OD1-N 3.15Å
462	G	83.6	Confident	90.3	Very high	23 Å²	23	25.1 Å²	25.1	24%	0.237	14%	0.141	C	C	.	.	S	Bend	trans	-115.3	-117.4	175.4	0	0	0	0	0	111.5	F142 D459	F142-G462 VanDerWaalsContact O-CA 3.25Å; F142-G462 WeakPolarHBondContact O-CA 3.48Å; D459-G462 VanDerWaalsContact CG-N 3.31Å; D459-G462 PolarHBondContact OD1-N 2.97Å; D459-G462 WeakPolarHBondContact OD2-CA 3.29Å
463	D	79.9	Confident	90.5	Very high	88 Å²	88	24.2 Å²	24.2	47%	0.471	14%	0.135	S	C	.	.	S	Bend	trans	-162.1	156.1	-179.1	-167.6	10.6	0	0	0	111.2	N143 K185 D459	N143-D463 HydrophobicContact CB-CB 3.7Å; N143-D463 PolarHBondContact ND2-OD2 3.38Å; K185-D463 PolarHBondContact NZ-O 3.23Å; D459-D463 PolarHBondContact OD2-N 3.45Å
464	G	84.8	Confident	90.5	Very high	21 Å²	21	24.7 Å²	24.7	22%	0.216	14%	0.137	C	C	.	.	S	Bend	trans	80.1	-168	-175.4	0	0	0	0	0	114.1	D459	D459-G464 WeakPolarHBondContact CB-O 3.37Å; D459-G464 PolarHBondContact N-O 2.87Å
465	L	90.1	Very high	90.5	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.016	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	139.7	-172.8	-58.4	-176.5	0	0	0	113.3	F457 L489 L528 P531	F457-L465 WeakPolarHBondContact O-CA 3.34Å; L465-L489 HydrophobicContact CB-CB 3.91Å; L465-L489 HydrophobicContact CB-CD2 3.74Å; L465-L489 HydrophobicContact CB-CG 4.49Å; L465-L489 HydrophobicContact CD1-CD2 3.72Å; L465-L489 HydrophobicContact CG-CD2 4.42Å; L465-L489 WeakPolarHBondContact O-CB 3.41Å; L465-L489 PolarHBondContact O-N 3.2Å; L465-L528 HydrophobicContact CD1-CB 3.6Å; L465-L528 HydrophobicContact CD1-CD1 3.69Å; L465-L528 HydrophobicContact CD1-CG 4.31Å; L465-L528 HydrophobicContact CG-CB 4.41Å; L465-P531 HydrophobicContact CD2-CB 4.1Å
466	I	92.8	Very high	90.4	Very high	3 Å²	3	30 Å²	30	2%	0.015	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	162.1	-177.8	53.8	170.3	0	0	0	112.1	K185 P456 F457 D459 D486 V487	K185-I466 HydrophobicContact CB-CG2 4.29Å; K185-I466 HydrophobicContact CG-CG2 3.86Å; P456-I466 CarbonylContact C-O 3.58Å; P456-I466 WeakPolarHBondContact CA-O 3.49Å; F457-I466 HydrophobicContact CD1-CG1 4.49Å; F457-I466 HydrophobicContact CD2-CD1 4.31Å; F457-I466 HydrophobicContact CD2-CG1 4.19Å; F457-I466 HydrophobicContact CE1-CD1 4.36Å; F457-I466 HydrophobicContact CE1-CG1 4.19Å; F457-I466 HydrophobicContact CE2-CD1 3.56Å; F457-I466 HydrophobicContact CE2-CG1 3.87Å; F457-I466 HydrophobicContact CG-CG1 4.49Å; F457-I466 HydrophobicContact CZ-CD1 3.58Å; F457-I466 HydrophobicContact CZ-CG1 3.87Å; F457-I466 PolarHBondContact N-O 3.42Å; F457-I466 PolarHBondContact O-N 2.86Å; D459-I466 HydrophobicContact CB-CD1 4.02Å; D459-I466 HydrophobicContact CB-CG1 4.15Å; D459-I466 HydrophobicContact CB-CG2 4.17Å; I466-D486 HydrophobicContact CB-CB 4.4Å; I466-D486 HydrophobicContact CD1-CB 4.01Å; I466-V487 CarbonylContact C-O 3.56Å; I466-V487 VanDerWaalsContact CA-O 3.27Å; I466-V487 WeakPolarHBondContact CA-O 2.77Å
467	M	93.3	Very high	90.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	133.3	168.4	-180	177.1	62.3	0	0	108.4	F96 S454 V487 I492 L517 F600	F96-M467 HydrophobicContact CE1-CE 3.58Å; F96-M467 HydrophobicContact CZ-CE 3.94Å; S454-M467 VanDerWaalsContact O-CG 3.27Å; S454-M467 WeakPolarHBondContact O-CG 3.49Å; S454-M467 VanDerWaalsContact O-SD 3.36Å; S454-M467 WeakPolarHBondContact OG-CG 3.28Å; M467-V487 PolarHBondContact N-O 3.44Å; M467-V487 PolarHBondContact O-N 2.93Å; M467-I492 HydrophobicContact CE-CB 4.32Å; M467-I492 HydrophobicContact CE-CD1 4.41Å; M467-I492 HydrophobicContact CE-CG1 3.91Å; M467-I492 HydrophobicContact CE-CG2 3.84Å; M467-L517 HydrophobicContact SD-CD2 4.17Å; M467-F600 HydrophobicContact SD-CE2 4.32Å; M467-F600 HydrophobicContact SD-CZ 3.8Å
468	T	94.8	Very high	90.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	139.3	-179.8	-47.5	0	0	0	0	111	Y188 I217 F453 S454 F457 V485 D486	Y188-T468 VanDerWaalsContact OH-CG2 3.29Å; Y188-T468 WeakPolarHBondContact OH-CG2 3.46Å; I217-T468 HydrophobicContact CD1-CG2 3.82Å; I217-T468 HydrophobicContact CG1-CG2 3.84Å; F453-T468 WeakPolarHBondContact CA-O 3.47Å; S454-T468 PolarHBondContact N-O 3.34Å; S454-T468 PolarHBondContact OG-N 2.89Å; F457-T468 WeakPolarHBondContact CE1-OG1 3.4Å; F457-T468 WeakPolarHBondContact CZ-OG1 3.44Å; T468-V485 CarbonylContact C-O 3.52Å; T468-V485 WeakPolarHBondContact CA-O 3.29Å; T468-D486 WeakPolarHBondContact CB-OD1 3.42Å; T468-D486 WeakPolarHBondContact CG2-OD1 3.36Å; T468-D486 PolarHBondContact OG1-OD1 2.93Å
469	V	95.8	Very high	90.3	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130.2	156.9	-166.9	0	0	0	0	108.2	V103 F453 G484 V485	V103-V469 HydrophobicContact CG2-CB 4.06Å; V103-V469 HydrophobicContact CG2-CG1 4.02Å; V103-V469 WeakPolarHBondContact CG2-O 3.38Å; F453-V469 HydrophobicContact CD1-CB 4.37Å; F453-V469 HydrophobicContact CD1-CG1 4.05Å; F453-V469 HydrophobicContact CD1-CG2 3.77Å; F453-V469 HydrophobicContact CE1-CB 4.25Å; F453-V469 HydrophobicContact CE1-CG1 3.59Å; F453-V469 HydrophobicContact CE1-CG2 3.7Å; F453-V469 HydrophobicContact CZ-CG1 4.08Å; V469-G484 WeakPolarHBondContact O-CA 3.39Å; V469-V485 PolarHBondContact N-O 2.96Å; V469-V485 PolarHBondContact O-N 3.09Å
470	S	96.3	Very high	90.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	153.3	-166.3	54.6	0	0	0	0	113.7	I217 T221 A451 V452 V483	I217-S470 WeakPolarHBondContact CD1-OG 3.31Å; T221-S470 WeakPolarHBondContact OG1-CB 3.45Å; T221-S470 PolarHBondContact OG1-OG 2.83Å; A451-S470 WeakPolarHBondContact CA-O 3.43Å; V452-S470 PolarHBondContact N-O 2.96Å; V452-S470 PolarHBondContact O-N 2.88Å; V452-S470 PolarHBondContact O-OG 3.1Å; S470-V483 WeakPolarHBondContact CA-O 3.36Å
471	K	95.7	Very high	91	Very high	24 Å²	24	29.6 Å²	29.6	10%	0.104	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	147.5	174.2	-87.4	-164	158.6	-140.4	0	113.2	V103 K107 T221 D449 A451 I482 V483	V103-K471 HydrophobicContact CG1-CB 3.62Å; V103-K471 HydrophobicContact CG1-CD 4.16Å; V103-K471 HydrophobicContact CG1-CG 3.73Å; K107-K471 HydrophobicContact CD-CB 4.38Å; K107-K471 HydrophobicContact CD-CD 4.03Å; T221-K471 VanDerWaalsContact CG2-C 3.44Å; D449-K471 PolarHBondContact O-NZ 3.15Å; D449-K471 IonicContact OD1-NZ 2.65Å; D449-K471 PolarHBondContact OD1-NZ 3.32Å; A451-K471 HydrophobicContact CB-CG 4.03Å; K471-I482 CarbonylContact O-C 3.56Å; K471-I482 WeakPolarHBondContact O-CA 3.35Å; K471-I482 WeakPolarHBondContact O-CB 3.46Å; K471-V483 HydrophobicContact CB-CG2 4.38Å; K471-V483 PolarHBondContact N-O 3.45Å; K471-V483 PolarHBondContact O-N 2.88Å
472	P	95.3	Very high	91.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	148.2	169.3	31.1	-31.7	0	0	0	112.5	K107 T221 I448 Y474 L479 I482	K107-P472 PolarHBondContact NZ-O 2.84Å; T221-P472 HydrophobicContact CG2-CB 4.48Å; I448-P472 WeakPolarHBondContact O-CG 3.18Å; P472-Y474 HydrophobicContact CB-CD2 4.46Å; P472-Y474 HydrophobicContact CB-CE2 3.78Å; P472-Y474 HydrophobicContact CG-CE2 3.68Å; P472-L479 HydrophobicContact CB-CD1 3.99Å; P472-I482 HydrophobicContact CB-CG2 4.48Å
473	C	94.9	Very high	92.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	129.7	175.8	-62.1	0	0	0	0	110	V110 E111 L480 G481	V110-C473 HydrophobicContact CG1-CB 4.04Å; E111-C473 HydrophobicContact CG-CB 4.12Å; E111-C473 VanDerWaalsContact OE1-CA 3.29Å; E111-C473 WeakPolarHBondContact OE1-CA 3.43Å; C473-L480 HydrophobicContact CB-CB 4.18Å; C473-L480 HydrophobicContact CB-CD1 4.5Å; C473-L480 PolarHBondContact O-N 3.29Å; C473-G481 PolarHBondContact N-O 3.29Å
474	Y	92.6	Very high	93	Very high	29 Å²	29	23 Å²	23	11%	0.114	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	144.4	-175.2	-66.6	-72.6	0	0	0	112.5	E111 M447 P472 L478 L479	E111-Y474 PolarHBondContact OE1-N 2.79Å; M447-Y474 HydrophobicContact CG-CE1 4.45Å; P472-Y474 HydrophobicContact CB-CD2 4.46Å; P472-Y474 HydrophobicContact CB-CE2 3.78Å; P472-Y474 HydrophobicContact CG-CE2 3.68Å; Y474-L478 CarbonylContact C-O 3.52Å; Y474-L478 VanDerWaalsContact CA-O 3.29Å; Y474-L478 WeakPolarHBondContact CA-O 3.4Å; Y474-L479 HydrophobicContact CD1-CB 4.23Å; Y474-L479 HydrophobicContact CD1-CD1 4.16Å; Y474-L479 HydrophobicContact CE1-CB 4.02Å; Y474-L479 HydrophobicContact CE1-CD1 3.7Å; Y474-L479 HydrophobicContact CE1-CG 4.47Å
475	F	91.8	Very high	93.5	Very high	80 Å²	80	22 Å²	22	35%	0.351	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	100.7	166.3	-173.7	-95.9	0	0	0	109.7	Y114 L118 N477 L478 L480	Y114-F475 HydrophobicContact CD1-CB 3.72Å; Y114-F475 AromaticContact CD1-CD1 3.92Å; Y114-F475 HydrophobicContact CD1-CD1 3.92Å; Y114-F475 AromaticContact CD1-CD2 3.7Å; Y114-F475 HydrophobicContact CD1-CD2 3.7Å; Y114-F475 HydrophobicContact CD1-CE1 4.48Å; Y114-F475 HydrophobicContact CD1-CE2 4.28Å; Y114-F475 AromaticContact CD1-CG 3.49Å; Y114-F475 HydrophobicContact CD1-CG 3.49Å; Y114-F475 VanDerWaalsContact CD1-CG 3.49Å; Y114-F475 HydrophobicContact CE1-CB 3.96Å; Y114-F475 AromaticContact CE1-CD1 3.74Å; Y114-F475 HydrophobicContact CE1-CD1 3.74Å; Y114-F475 HydrophobicContact CE1-CD2 4.37Å; Y114-F475 HydrophobicContact CE1-CE1 4.33Å; Y114-F475 AromaticContact CE1-CG 3.76Å; Y114-F475 HydrophobicContact CE1-CG 3.76Å; L118-F475 HydrophobicContact CD1-CE1 3.69Å; L118-F475 HydrophobicContact CD1-CE2 4.25Å; L118-F475 HydrophobicContact CD1-CZ 3.52Å; F475-N477 PolarHBondContact O-N 3.34Å; F475-L478 PolarHBondContact N-O 2.93Å; F475-L478 WeakPolarHBondContact O-CB 3.45Å; F475-L478 PolarHBondContact O-N 2.69Å; F475-L480 HydrophobicContact CB-CD1 4.25Å; F475-L480 HydrophobicContact CB-CD2 3.94Å; F475-L480 HydrophobicContact CB-CG 4.24Å
476	G	87.3	Confident	93.8	Very high	60 Å²	60	22.3 Å²	22.3	62%	0.619	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	-117.6	-165.3	0	0	0	0	0	109.9
477	N	86.1	Confident	93.9	Very high	130 Å²	130	22.1 Å²	22.1	70%	0.695	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	4.1	176.8	-64.6	10.6	0	0	0	113.8	M447 F475	M447-N477 HydrophobicContact SD-CB 4.15Å; F475-N477 PolarHBondContact O-N 3.34Å
478	L	89.8	Confident	93.9	Very high	88 Å²	88	23.3 Å²	23.3	46%	0.461	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.9	179.1	178.9	64.1	0	0	0	110.4	Y114 Y474 F475 L480	Y114-L478 HydrophobicContact CE1-CD2 4.38Å; Y114-L478 WeakPolarHBondContact OH-CD2 3.39Å; Y474-L478 CarbonylContact C-O 3.52Å; Y474-L478 VanDerWaalsContact CA-O 3.29Å; Y474-L478 WeakPolarHBondContact CA-O 3.4Å; F475-L478 PolarHBondContact N-O 2.93Å; F475-L478 WeakPolarHBondContact O-CB 3.45Å; F475-L478 PolarHBondContact O-N 2.69Å; L478-L480 HydrophobicContact CD2-CD2 4.13Å; L478-L480 HydrophobicContact CG-CD2 4.32Å; L478-L480 PolarHBondContact O-N 2.9Å
479	L	91.8	Very high	93.8	Very high	34 Å²	34	23.4 Å²	23.4	18%	0.178	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	121.3	166	179	68.6	0	0	0	108.9	E192 V222 P472 Y474 G481	E192-L479 HydrophobicContact CB-CD2 4.43Å; E192-L479 HydrophobicContact CB-CG 4.45Å; E192-L479 HydrophobicContact CG-CD2 4.18Å; V222-L479 HydrophobicContact CG1-CD2 3.76Å; V222-L479 HydrophobicContact CG2-CD1 4.49Å; V222-L479 HydrophobicContact CG2-CD2 3.96Å; P472-L479 HydrophobicContact CB-CD1 3.99Å; Y474-L479 HydrophobicContact CD1-CB 4.23Å; Y474-L479 HydrophobicContact CD1-CD1 4.16Å; Y474-L479 HydrophobicContact CE1-CB 4.02Å; Y474-L479 HydrophobicContact CE1-CD1 3.7Å; Y474-L479 HydrophobicContact CE1-CG 4.47Å; L479-G481 WeakPolarHBondContact CD1-O 3.47Å
480	L	94	Very high	93.6	Very high	8 Å²	8	23.9 Å²	23.9	4%	0.042	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-32	173.5	-56.8	-177.4	0	0	0	111.5	V110 E111 Y114 F164 S191 E192 C473 F475 L478	V110-L480 HydrophobicContact CG1-CD1 4.43Å; E111-L480 HydrophobicContact CG-CD1 4.4Å; Y114-L480 HydrophobicContact CD1-CD1 4.4Å; Y114-L480 HydrophobicContact CD1-CD2 3.87Å; Y114-L480 HydrophobicContact CD2-CD1 4.21Å; Y114-L480 HydrophobicContact CD2-CD2 3.57Å; Y114-L480 HydrophobicContact CD2-CG 4.5Å; Y114-L480 HydrophobicContact CE1-CD2 3.9Å; Y114-L480 HydrophobicContact CE2-CD2 3.61Å; Y114-L480 HydrophobicContact CG-CD1 3.85Å; Y114-L480 HydrophobicContact CG-CD2 3.69Å; Y114-L480 HydrophobicContact CG-CG 4.44Å; F164-L480 HydrophobicContact CE1-CD1 4.42Å; S191-L480 WeakPolarHBondContact CA-O 3.44Å; E192-L480 PolarHBondContact N-O 3.43Å; C473-L480 HydrophobicContact CB-CB 4.18Å; C473-L480 HydrophobicContact CB-CD1 4.5Å; C473-L480 PolarHBondContact O-N 3.29Å; F475-L480 HydrophobicContact CB-CD1 4.25Å; F475-L480 HydrophobicContact CB-CD2 3.94Å; F475-L480 HydrophobicContact CB-CG 4.24Å; L478-L480 HydrophobicContact CD2-CD2 4.13Å; L478-L480 HydrophobicContact CG-CD2 4.32Å; L478-L480 PolarHBondContact O-N 2.9Å
481	G	94.3	Very high	93.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149	-158	-171.1	0	0	0	0	0	111.1	S190 C473 L479	S190-G481 CarbonylContact O-C 3.52Å; S190-G481 WeakPolarHBondContact O-CA 3.43Å; C473-G481 PolarHBondContact N-O 3.29Å; L479-G481 WeakPolarHBondContact CD1-O 3.47Å
482	I	96.6	Very high	93.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	154.6	173.2	76.3	163.3	0	0	0	111.6	Y188 F189 S190 Y218 T221 V222 K471 P472	Y188-I482 HydrophobicContact CE2-CD1 4.34Å; F189-I482 WeakPolarHBondContact CA-O 3.43Å; F189-I482 VanDerWaalsContact CD2-O 3.29Å; F189-I482 WeakPolarHBondContact CD2-O 3.26Å; S190-I482 PolarHBondContact N-O 2.85Å; S190-I482 PolarHBondContact O-N 3.48Å; Y218-I482 HydrophobicContact CD2-CD1 3.78Å; Y218-I482 HydrophobicContact CD2-CG1 3.65Å; Y218-I482 HydrophobicContact CD2-CG2 4.16Å; Y218-I482 HydrophobicContact CE2-CB 4.32Å; Y218-I482 HydrophobicContact CE2-CD1 4.4Å; Y218-I482 HydrophobicContact CE2-CG1 3.79Å; Y218-I482 HydrophobicContact CE2-CG2 3.87Å; Y218-I482 HydrophobicContact CG-CD1 4.42Å; T221-I482 HydrophobicContact CG2-CB 3.87Å; T221-I482 HydrophobicContact CG2-CD1 4.15Å; T221-I482 HydrophobicContact CG2-CG2 3.55Å; V222-I482 HydrophobicContact CG2-CG2 3.72Å; K471-I482 CarbonylContact O-C 3.56Å; K471-I482 WeakPolarHBondContact O-CA 3.35Å; K471-I482 WeakPolarHBondContact O-CB 3.46Å; P472-I482 HydrophobicContact CB-CG2 4.48Å
483	V	97.4	Very high	93	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.012	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	140.9	161.4	-73.2	0	0	0	0	109.7	V103 N106 K107 V110 Y188 F189 S470 K471	V103-V483 HydrophobicContact CG1-CG2 4.15Å; N106-V483 HydrophobicContact CB-CB 4.25Å; N106-V483 HydrophobicContact CB-CG1 4.13Å; N106-V483 HydrophobicContact CB-CG2 4.48Å; K107-V483 HydrophobicContact CB-CG2 3.83Å; V110-V483 HydrophobicContact CG2-CG1 3.84Å; Y188-V483 WeakPolarHBondContact O-CA 3.25Å; F189-V483 HydrophobicContact CB-CG1 4.38Å; F189-V483 HydrophobicContact CD2-CG1 4.07Å; S470-V483 WeakPolarHBondContact CA-O 3.36Å; K471-V483 HydrophobicContact CB-CG2 4.38Å; K471-V483 PolarHBondContact N-O 3.45Å; K471-V483 PolarHBondContact O-N 2.88Å
484	G	96.9	Very high	92.9	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	152.3	179.1	0	0	0	0	0	112.4	Q187 Y188 V469	Q187-G484 WeakPolarHBondContact CA-O 3.43Å; Y188-G484 PolarHBondContact N-O 3.34Å; Y188-G484 PolarHBondContact O-N 3.09Å; V469-G484 WeakPolarHBondContact O-CA 3.39Å
485	V	97.1	Very high	92.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	115.5	174.9	-179.3	0	0	0	0	107.8	Y99 V102 V103 I184 W186 Q187 T468 V469 V487	Y99-V485 HydrophobicContact CD1-CG1 4.25Å; V102-V485 HydrophobicContact CG1-CG1 4.5Å; V102-V485 HydrophobicContact CG1-CG2 3.69Å; V103-V485 HydrophobicContact CG2-CB 4.03Å; V103-V485 HydrophobicContact CG2-CG2 3.53Å; I184-V485 HydrophobicContact CD1-CG1 4.12Å; I184-V485 HydrophobicContact CG1-CG1 4.04Å; I184-V485 HydrophobicContact CG2-CG1 4.34Å; W186-V485 CarbonylContact O-C 3.53Å; W186-V485 WeakPolarHBondContact O-CA 3.12Å; Q187-V485 HydrophobicContact CG-CG1 4.27Å; Q187-V485 HydrophobicContact CG-CG2 4.24Å; T468-V485 CarbonylContact C-O 3.52Å; T468-V485 WeakPolarHBondContact CA-O 3.29Å; V469-V485 PolarHBondContact N-O 2.96Å; V469-V485 PolarHBondContact O-N 3.09Å; V485-V487 HydrophobicContact CG1-CG2 4.3Å
486	D	96.4	Very high	92.9	Very high	9 Å²	9	20 Å²	20	5%	0.048	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	132.6	174.5	-62.2	-32.8	0	0	0	109.7	K185 W186 Y188 I466 T468	K185-D486 HydrophobicContact CB-CB 4.26Å; K185-D486 PolarHBondContact N-O 3.21Å; W186-D486 HydrophobicContact CB-CB 4.22Å; W186-D486 PolarHBondContact O-N 3.41Å; Y188-D486 WeakPolarHBondContact CE1-OD2 3.22Å; I466-D486 HydrophobicContact CB-CB 4.4Å; I466-D486 HydrophobicContact CD1-CB 4.01Å; T468-D486 WeakPolarHBondContact CB-OD1 3.42Å; T468-D486 WeakPolarHBondContact CG2-OD1 3.36Å; T468-D486 PolarHBondContact OG1-OD1 2.93Å
487	V	94.3	Very high	93	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	136.4	-177.5	-170.8	0	0	0	0	109.3	Y99 G183 I466 M467 V485 L489 Y491 I492	Y99-V487 HydrophobicContact CD1-CG1 4.47Å; Y99-V487 HydrophobicContact CD1-CG2 3.42Å; Y99-V487 VanDerWaalsContact CD1-CG2 3.42Å; Y99-V487 HydrophobicContact CD2-CG1 4.45Å; Y99-V487 HydrophobicContact CD2-CG2 4.15Å; Y99-V487 HydrophobicContact CE1-CB 4.29Å; Y99-V487 HydrophobicContact CE1-CG1 3.78Å; Y99-V487 HydrophobicContact CE1-CG2 3.49Å; Y99-V487 VanDerWaalsContact CE1-CG2 3.49Å; Y99-V487 HydrophobicContact CE2-CG1 3.77Å; Y99-V487 HydrophobicContact CE2-CG2 4.22Å; Y99-V487 HydrophobicContact CG-CG2 3.76Å; Y99-V487 WeakPolarHBondContact OH-CG1 3.44Å; G183-V487 WeakPolarHBondContact O-CA 3.32Å; G183-V487 WeakPolarHBondContact O-CG1 3.28Å; I466-V487 CarbonylContact C-O 3.56Å; I466-V487 VanDerWaalsContact CA-O 3.27Å; I466-V487 WeakPolarHBondContact CA-O 2.77Å; M467-V487 PolarHBondContact N-O 3.44Å; M467-V487 PolarHBondContact O-N 2.93Å; V485-V487 HydrophobicContact CG1-CG2 4.3Å; V487-L489 PolarHBondContact O-N 2.89Å; V487-Y491 HydrophobicContact CG1-CD1 4.32Å; V487-I492 HydrophobicContact CB-CG1 4.3Å; V487-I492 HydrophobicContact CG1-CD1 3.84Å; V487-I492 HydrophobicContact CG1-CG1 3.72Å
488	N	92.8	Very high	93	Very high	24 Å²	24	12.8 Å²	12.8	13%	0.128	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	125	175.8	-170.9	-51.1	0	0	0	110.7	G183 K185 A490 Y491 I492 Y666	G183-N488 PolarHBondContact O-N 2.87Å; K185-N488 HydrophobicContact CG-CB 4.41Å; N488-A490 PolarHBondContact O-N 3.23Å; N488-A490 WeakPolarHBondContact OD1-CB 3.43Å; N488-A490 PolarHBondContact OD1-N 3.16Å; N488-Y491 WeakPolarHBondContact O-CB 3.39Å; N488-Y491 PolarHBondContact O-N 3.02Å; N488-I492 PolarHBondContact O-N 2.81Å; N488-Y666 HydrophobicContact CB-CE2 3.97Å; N488-Y666 VanDerWaalsContact CG-CE2 3.43Å; N488-Y666 PolarHBondContact ND2-OH 3.32Å
489	L	92.5	Very high	92.8	Very high	3 Å²	3	10.4 Å²	10.4	2%	0.016	5%	0.052	C	C	.	.	H	α-helix	trans	-56.7	-38	-176.9	-177.8	62.8	0	0	0	112.7	P456 L465 V487 Y491 I492 L493 P525	P456-L489 HydrophobicContact CB-CD1 3.67Å; P456-L489 HydrophobicContact CB-CD2 3.66Å; P456-L489 HydrophobicContact CB-CG 4.23Å; P456-L489 HydrophobicContact CG-CD1 3.57Å; P456-L489 HydrophobicContact CG-CD2 4.24Å; L465-L489 HydrophobicContact CB-CB 3.91Å; L465-L489 HydrophobicContact CB-CD2 3.74Å; L465-L489 HydrophobicContact CB-CG 4.49Å; L465-L489 HydrophobicContact CD1-CD2 3.72Å; L465-L489 HydrophobicContact CG-CD2 4.42Å; L465-L489 WeakPolarHBondContact O-CB 3.41Å; L465-L489 PolarHBondContact O-N 3.2Å; V487-L489 PolarHBondContact O-N 2.89Å; L489-Y491 VanDerWaalsContact C-N 3.3Å; L489-Y491 PolarHBondContact O-N 2.98Å; L489-I492 PolarHBondContact O-N 3.21Å; L489-L493 HydrophobicContact CD1-CD1 3.49Å; L489-L493 VanDerWaalsContact CD1-CD1 3.49Å; L489-L493 HydrophobicContact CD1-CG 3.99Å; L489-L493 HydrophobicContact CD2-CD1 4.39Å; L489-L493 HydrophobicContact CG-CD1 3.8Å; L489-L493 HydrophobicContact CG-CG 4.47Å; L489-L493 PolarHBondContact O-N 3.46Å; L489-P525 HydrophobicContact CB-CB 4.45Å; L489-P525 HydrophobicContact CD2-CB 4.01Å; L489-P525 HydrophobicContact CD2-CG 4.35Å; L489-P525 HydrophobicContact CG-CB 3.97Å; L489-P525 HydrophobicContact CG-CG 4.3Å
490	A	91.3	Very high	91.9	Very high	11 Å²	11	11.8 Å²	11.8	9%	0.091	6%	0.058	C	C	.	.	H	α-helix	trans	-67.6	-28	-179.9	0	0	0	0	0	112.9	N488 E494 P525 Y666	N488-A490 PolarHBondContact O-N 3.23Å; N488-A490 WeakPolarHBondContact OD1-CB 3.43Å; N488-A490 PolarHBondContact OD1-N 3.16Å; A490-E494 WeakPolarHBondContact O-CB 3.46Å; A490-E494 PolarHBondContact O-N 2.9Å; A490-E494 VanDerWaalsContact O-N 3.16Å; A490-P525 HydrophobicContact CB-CB 3.99Å; A490-Y666 HydrophobicContact CB-CD2 3.8Å; A490-Y666 HydrophobicContact CB-CE2 4.22Å
491	Y	91.9	Very high	90.7	Very high	13 Å²	13	12.6 Å²	12.6	5%	0.051	6%	0.062	C	C	.	.	H	α-helix	trans	-72.6	-43.3	173.8	178.7	-100.5	0	0	0	112	K95 Y99 P182 V487 N488 L489 Y666	K95-Y491 HydrophobicContact CD-CD1 3.94Å; K95-Y491 HydrophobicContact CD-CE1 3.54Å; K95-Y491 HydrophobicContact CG-CD1 4.36Å; K95-Y491 HydrophobicContact CG-CE1 3.65Å; K95-Y491 PolarHBondContact NZ-O 3.06Å; Y99-Y491 HydrophobicContact CE2-CD1 4.19Å; Y99-Y491 AromaticContact CE2-CE1 3.92Å; Y99-Y491 HydrophobicContact CE2-CE1 3.92Å; Y99-Y491 AromaticContact CZ-CE1 3.89Å; Y99-Y491 WeakPolarHBondContact OH-CD1 3.47Å; Y99-Y491 WeakPolarHBondContact OH-CE1 3.03Å; P182-Y491 HydrophobicContact CG-CE2 4.39Å; P182-Y491 VanDerWaalsContact O-CE1 3.24Å; P182-Y491 WeakPolarHBondContact O-CE1 3.45Å; V487-Y491 HydrophobicContact CG1-CD1 4.32Å; N488-Y491 WeakPolarHBondContact O-CB 3.39Å; N488-Y491 PolarHBondContact O-N 3.02Å; L489-Y491 VanDerWaalsContact C-N 3.3Å; L489-Y491 PolarHBondContact O-N 2.98Å; Y491-Y666 AromaticContact CD2-CD1 3.59Å; Y491-Y666 HydrophobicContact CD2-CD1 3.59Å; Y491-Y666 HydrophobicContact CD2-CE1 4.31Å; Y491-Y666 HydrophobicContact CD2-CG 4.01Å; Y491-Y666 HydrophobicContact CG-CD1 4.15Å; Y491-Y666 HydrophobicContact CG-CG 4.41Å
492	I	91.4	Very high	89.4	Confident	5 Å²	5	13.5 Å²	13.5	3%	0.026	7%	0.068	C	C	.	.	H	α-helix	trans	-61.8	-47.3	177.3	-67.5	-65.6	0	0	0	110.5	K95 F96 Y99 M467 V487 N488 L489	K95-I492 HydrophobicContact CD-CD1 4.34Å; K95-I492 HydrophobicContact CG-CD1 4.32Å; F96-I492 HydrophobicContact CD1-CD1 4.48Å; F96-I492 HydrophobicContact CE1-CD1 4.23Å; F96-I492 HydrophobicContact CE1-CG2 4.29Å; F96-I492 HydrophobicContact CE2-CG2 4.39Å; F96-I492 HydrophobicContact CZ-CG2 3.78Å; Y99-I492 HydrophobicContact CD2-CD1 4.09Å; Y99-I492 HydrophobicContact CE2-CD1 3.77Å; M467-I492 HydrophobicContact CE-CB 4.32Å; M467-I492 HydrophobicContact CE-CD1 4.41Å; M467-I492 HydrophobicContact CE-CG1 3.91Å; M467-I492 HydrophobicContact CE-CG2 3.84Å; V487-I492 HydrophobicContact CB-CG1 4.3Å; V487-I492 HydrophobicContact CG1-CD1 3.84Å; V487-I492 HydrophobicContact CG1-CG1 3.72Å; N488-I492 PolarHBondContact O-N 2.81Å; L489-I492 PolarHBondContact O-N 3.21Å
493	L	92.7	Very high	87.9	Confident	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-88.1	-7.3	-170.5	-63.5	178.6	0	0	0	115.1	L489 D495 V496 T497 L509 L517 M518 P525	L489-L493 HydrophobicContact CD1-CD1 3.49Å; L489-L493 VanDerWaalsContact CD1-CD1 3.49Å; L489-L493 HydrophobicContact CD1-CG 3.99Å; L489-L493 HydrophobicContact CD2-CD1 4.39Å; L489-L493 HydrophobicContact CG-CD1 3.8Å; L489-L493 HydrophobicContact CG-CG 4.47Å; L489-L493 PolarHBondContact O-N 3.46Å; L493-D495 PolarHBondContact O-N 3.25Å; L493-V496 WeakPolarHBondContact O-CA 3.09Å; L493-V496 PolarHBondContact O-N 3.21Å; L493-T497 WeakPolarHBondContact O-CB 3.46Å; L493-T497 PolarHBondContact O-N 3.23Å; L493-T497 PolarHBondContact O-OG1 2.85Å; L493-T497 VanDerWaalsContact O-OG1 3.07Å; L493-L509 HydrophobicContact CD2-CD2 3.69Å; L493-L517 WeakPolarHBondContact CD1-O 3.39Å; L493-L517 HydrophobicContact CD2-CB 4.39Å; L493-M518 HydrophobicContact CD1-CB 4.03Å; L493-M518 HydrophobicContact CD2-CB 4.02Å; L493-M518 HydrophobicContact CG-CB 4.47Å; L493-P525 HydrophobicContact CB-CG 4.2Å; L493-P525 HydrophobicContact CD1-CG 3.72Å
494	E	91.9	Very high	86.6	Confident	8 Å²	8	15.2 Å²	15.2	4%	0.037	8%	0.078	C	C	.	.	H	α-helix	trans	-51.2	-36.1	-176.4	74.4	-173	162.8	0	0	113.5	K95 A490 V496 Y498 S664 P665 Y666	K95-E494 IonicContact NZ-OE1 3.19Å; K95-E494 PolarHBondContact NZ-OE1 3.13Å; A490-E494 WeakPolarHBondContact O-CB 3.46Å; A490-E494 PolarHBondContact O-N 2.9Å; A490-E494 VanDerWaalsContact O-N 3.16Å; E494-V496 VanDerWaalsContact C-N 3.27Å; E494-V496 PolarHBondContact O-N 3.39Å; E494-Y498 HydrophobicContact CB-CD2 4.38Å; E494-Y498 WeakPolarHBondContact O-CB 3.29Å; E494-Y498 WeakPolarHBondContact O-CD2 3.35Å; E494-Y498 PolarHBondContact O-N 3.05Å; E494-S664 PolarHBondContact OE1-OG 3.48Å; E494-S664 WeakPolarHBondContact OE2-CA 3.41Å; E494-S664 WeakPolarHBondContact OE2-CB 3.33Å; E494-S664 PolarHBondContact OE2-OG 2.87Å; E494-P665 HydrophobicContact CB-CB 4.37Å; E494-P665 HydrophobicContact CB-CG 4.29Å; E494-P665 VanDerWaalsContact OE2-CD 3.27Å; E494-P665 WeakPolarHBondContact OE2-CD 3.39Å; E494-Y666 VanDerWaalsContact OE2-CB 3.3Å; E494-Y666 WeakPolarHBondContact OE2-CB 3.24Å; E494-Y666 PolarHBondContact OE2-N 3.28Å
495	D	91	Very high	85.8	Confident	17 Å²	17	15.6 Å²	15.6	9%	0.091	8%	0.08	C	C	.	.	H	α-helix	trans	-70.2	-21.1	-179.3	-73.2	-57.7	0	0	0	113.8	L88 K91 I92 K95 L493	L88-D495 HydrophobicContact CD1-CB 4.12Å; K91-D495 WeakPolarHBondContact CD-OD1 3.12Å; K91-D495 WeakPolarHBondContact CE-OD1 3.27Å; K91-D495 IonicContact NZ-OD1 3.64Å; K91-D495 PolarHBondContact NZ-OD1 2.85Å; I92-D495 HydrophobicContact CG1-CB 4.27Å; K95-D495 WeakPolarHBondContact CE-OD2 3.27Å; K95-D495 IonicContact NZ-OD2 3.29Å; K95-D495 PolarHBondContact NZ-OD2 3.44Å; L493-D495 PolarHBondContact O-N 3.25Å
496	V	92.4	Very high	85.3	Confident	8 Å²	8	16 Å²	16	5%	0.048	8%	0.082	C	C	.	.	H	α-helix	trans	-99.3	-43.9	176.7	-173.2	0	0	0	0	109.5	I92 L493 E494 Y498 Y499 T507 L509 M518 L602	I92-V496 HydrophobicContact CD1-CG2 3.72Å; L493-V496 WeakPolarHBondContact O-CA 3.09Å; L493-V496 PolarHBondContact O-N 3.21Å; E494-V496 VanDerWaalsContact C-N 3.27Å; E494-V496 PolarHBondContact O-N 3.39Å; V496-Y498 PolarHBondContact O-N 3.26Å; V496-Y499 PolarHBondContact O-N 3Å; V496-T507 HydrophobicContact CB-CG2 4.44Å; V496-T507 HydrophobicContact CG1-CG2 3.75Å; V496-L509 HydrophobicContact CG1-CB 4.45Å; V496-L509 HydrophobicContact CG2-CB 4.43Å; V496-M518 HydrophobicContact CB-CB 4.48Å; V496-M518 HydrophobicContact CB-CG 4.23Å; V496-M518 HydrophobicContact CG1-CB 3.97Å; V496-M518 HydrophobicContact CG1-CG 3.81Å; V496-L602 HydrophobicContact CG2-CD1 4.16Å
497	T	89.7	Confident	85.1	Confident	10 Å²	10	15.7 Å²	15.7	6%	0.061	8%	0.08	C	C	.	.	H	α-helix	trans	-66.3	-30.7	-179.1	-55.4	0	0	0	0	114	L493 M518 R524	L493-T497 WeakPolarHBondContact O-CB 3.46Å; L493-T497 PolarHBondContact O-N 3.23Å; L493-T497 PolarHBondContact O-OG1 2.85Å; L493-T497 VanDerWaalsContact O-OG1 3.07Å; T497-M518 HydrophobicContact CG2-CE 3.99Å; T497-M518 PolarHBondContact OG1-SD 2.9Å; T497-M518 VanDerWaalsContact OG1-SD 3.32Å; T497-R524 HydrophobicContact CG2-CB 4.06Å; T497-R524 HydrophobicContact CG2-CG 3.62Å
498	Y	87.5	Confident	85	Confident	28 Å²	28	15.7 Å²	15.7	11%	0.11	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	21.6	178.2	-59.7	-92.4	0	0	0	112.6	E494 V496 Q500 R524 A659 P665 L669 K698	E494-Y498 HydrophobicContact CB-CD2 4.38Å; E494-Y498 WeakPolarHBondContact O-CB 3.29Å; E494-Y498 WeakPolarHBondContact O-CD2 3.35Å; E494-Y498 PolarHBondContact O-N 3.05Å; V496-Y498 PolarHBondContact O-N 3.26Å; Y498-Q500 PolarHBondContact O-N 2.57Å; Y498-R524 VanDerWaalsContact CE1-CZ 3.44Å; Y498-R524 VanDerWaalsContact CE1-NH2 3.29Å; Y498-R524 WeakPolarHBondContact OH-CD 3.41Å; Y498-A659 HydrophobicContact CE1-CB 4.02Å; Y498-P665 HydrophobicContact CD1-CB 4.32Å; Y498-P665 HydrophobicContact CD1-CG 4.27Å; Y498-P665 HydrophobicContact CD2-CB 3.51Å; Y498-P665 HydrophobicContact CD2-CG 3.54Å; Y498-P665 HydrophobicContact CE1-CB 4.3Å; Y498-P665 HydrophobicContact CE2-CB 3.49Å; Y498-P665 VanDerWaalsContact CE2-CB 3.49Å; Y498-P665 HydrophobicContact CE2-CG 4.08Å; Y498-P665 HydrophobicContact CG-CB 3.93Å; Y498-P665 HydrophobicContact CG-CG 3.64Å; Y498-L669 WeakPolarHBondContact OH-CD1 3.17Å; Y498-K698 PolarHBondContact O-NZ 2.88Å
499	Y	84.8	Confident	85.1	Confident	39 Å²	39	14.6 Å²	14.6	15%	0.153	8%	0.075	C	C	.	.			trans	-67.4	125.2	166.1	-177.6	-94.4	0	0	0	109.9	L88 V496 D501 T507 I604	L88-Y499 HydrophobicContact CD2-CD2 3.62Å; L88-Y499 HydrophobicContact CD2-CE2 3.91Å; L88-Y499 HydrophobicContact CD2-CG 4.35Å; V496-Y499 PolarHBondContact O-N 3Å; Y499-D501 HydrophobicContact CE1-CB 4.07Å; Y499-D501 HydrophobicContact CE2-CB 4.38Å; Y499-D501 WeakPolarHBondContact OH-CB 3.49Å; Y499-T507 HydrophobicContact CD1-CG2 3.64Å; Y499-T507 HydrophobicContact CD2-CG2 4.4Å; Y499-T507 HydrophobicContact CG-CG2 3.55Å; Y499-I604 HydrophobicContact CE1-CG2 4.44Å; Y499-I604 HydrophobicContact CE2-CD1 4.23Å
500	Q	72.3	Confident	85.2	Confident	63 Å²	63	14.4 Å²	14.4	29%	0.294	7%	0.074	S	C	.	.			trans	-157.5	73	-176.5	-166.6	171.1	-11.9	0	0	110.1	Y498 P736	Y498-Q500 PolarHBondContact O-N 2.57Å; Q500-P736 VanDerWaalsContact CD-O 3.24Å; Q500-P736 PolarHBondContact NE2-O 3.34Å; Q500-P736 PolarHBondContact OE1-O 2.77Å
501	D	69.6	Low	85.2	Confident	24 Å²	24	14 Å²	14	13%	0.128	7%	0.07	C	C	.	.	S	Bend	trans	-84	-35.9	178	-158.6	52.1	0	0	0	111.8	K77 S79 Y499 V613	K77-D501 IonicContact NZ-OD1 3.96Å; K77-D501 PolarHBondContact NZ-OD1 3.01Å; K77-D501 IonicContact NZ-OD2 2.72Å; K77-D501 PolarHBondContact NZ-OD2 3.23Å; S79-D501 WeakPolarHBondContact CB-OD2 3.49Å; S79-D501 PolarHBondContact OG-OD2 2.8Å; S79-D501 VanDerWaalsContact OG-OD2 3.04Å; Y499-D501 HydrophobicContact CE1-CB 4.07Å; Y499-D501 HydrophobicContact CE2-CB 4.38Å; Y499-D501 WeakPolarHBondContact OH-CB 3.49Å; D501-V613 WeakPolarHBondContact O-CG1 3.37Å; D501-V613 WeakPolarHBondContact O-CG2 3.43Å
502	S	67.3	Low	85	Confident	19 Å²	19	16.6 Å²	16.6	13%	0.133	9%	0.085	C	C	.	.			trans	-145.9	167.6	171.7	84.9	0	0	0	0	111.9	A504 S505	S502-A504 PolarHBondContact O-N 2.98Å; S502-A504 WeakPolarHBondContact OG-CA 3.22Å; S502-A504 PolarHBondContact OG-N 3.45Å; S502-S505 PolarHBondContact N-OG 3.24Å; S502-S505 WeakPolarHBondContact OG-CB 3.46Å; S502-S505 PolarHBondContact OG-N 3.38Å; S502-S505 VanDerWaalsContact OG-N 3.07Å; S502-S505 PolarHBondContact OG-OG 2.82Å
503	L	65.6	Low	84.7	Confident	33 Å²	33	19.6 Å²	19.6	17%	0.173	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-9.1	169.7	-63.4	173.3	0	0	0	113.1	V764	L503-V764 HydrophobicContact CD1-CG1 4.44Å
504	A	69.4	Low	84.5	Confident	5 Å²	5	19.6 Å²	19.6	4%	0.041	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	1.5	-177.8	0	0	0	0	0	113.6	S502 L578 I607	S502-A504 PolarHBondContact O-N 2.98Å; S502-A504 WeakPolarHBondContact OG-CA 3.22Å; S502-A504 PolarHBondContact OG-N 3.45Å; A504-L578 HydrophobicContact CB-CD1 3.58Å; A504-L578 HydrophobicContact CB-CD2 3.92Å; A504-L578 HydrophobicContact CB-CG 4.35Å; A504-I607 PolarHBondContact O-N 2.92Å
505	S	80.5	Confident	84.4	Confident	8 Å²	8	20.8 Å²	20.8	6%	0.056	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	150	-176.6	57	0	0	0	0	112.4	S502 V605	S502-S505 PolarHBondContact N-OG 3.24Å; S502-S505 WeakPolarHBondContact OG-CB 3.46Å; S502-S505 PolarHBondContact OG-N 3.38Å; S502-S505 VanDerWaalsContact OG-N 3.07Å; S502-S505 PolarHBondContact OG-OG 2.82Å; S505-V605 WeakPolarHBondContact CA-O 3.33Å; S505-V605 WeakPolarHBondContact CB-O 3.23Å
506	Y	86.2	Confident	84.3	Confident	8 Å²	8	20.2 Å²	20.2	3%	0.031	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	178.2	175.4	65.8	-87.1	0	0	0	110.2	F508 H519 P520 E541 L571 H574 I604 V605	Y506-F508 HydrophobicContact CE2-CD1 4.29Å; Y506-H519 AromaticContact CE2-NE2 3.93Å; Y506-P520 HydrophobicContact CD2-CG 3.59Å; Y506-P520 HydrophobicContact CG-CG 3.94Å; Y506-E541 WeakPolarHBondContact CE2-OE1 3.11Å; Y506-E541 VanDerWaalsContact OH-CD 3.25Å; Y506-E541 PolarHBondContact OH-OE1 2.62Å; Y506-E541 PolarHBondContact OH-OE2 2.81Å; Y506-E541 VanDerWaalsContact OH-OE2 3.12Å; Y506-L571 HydrophobicContact CE1-CD2 4.35Å; Y506-L571 WeakPolarHBondContact OH-CD2 3.38Å; Y506-H574 AromaticContact CD1-CE1 3.25Å; Y506-H574 WeakPolarHBondContact CD1-CE1 3.3Å; Y506-H574 AromaticContact CD1-ND1 3.51Å; Y506-H574 AromaticContact CD1-NE2 3.75Å; Y506-H574 AromaticContact CE1-CE1 3.66Å; Y506-H574 AromaticContact CE1-ND1 3.45Å; Y506-H574 WeakPolarHBondContact CE1-ND1 3.27Å; Y506-H574 AromaticContact CG-CE1 3.6Å; Y506-I604 WeakPolarHBondContact O-CA 3.48Å; Y506-V605 HydrophobicContact CD1-CB 4.13Å; Y506-V605 HydrophobicContact CD2-CB 4.32Å; Y506-V605 HydrophobicContact CD2-CG2 4.27Å; Y506-V605 HydrophobicContact CE1-CB 3.7Å; Y506-V605 HydrophobicContact CE1-CG1 3.8Å; Y506-V605 HydrophobicContact CE1-CG2 4.33Å; Y506-V605 HydrophobicContact CE2-CB 3.92Å; Y506-V605 HydrophobicContact CE2-CG2 3.67Å; Y506-V605 HydrophobicContact CG-CB 4.42Å; Y506-V605 PolarHBondContact N-O 3.37Å; Y506-V605 PolarHBondContact O-N 3.38Å
507	T	91.4	Very high	84.2	Confident	3 Å²	3	20.1 Å²	20.1	2%	0.018	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	153.5	-177.8	178.8	0	0	0	0	110.6	L88 V496 Y499 L602 C603	L88-T507 HydrophobicContact CD2-CG2 4.49Å; V496-T507 HydrophobicContact CB-CG2 4.44Å; V496-T507 HydrophobicContact CG1-CG2 3.75Å; Y499-T507 HydrophobicContact CD1-CG2 3.64Å; Y499-T507 HydrophobicContact CD2-CG2 4.4Å; Y499-T507 HydrophobicContact CG-CG2 3.55Å; T507-L602 WeakPolarHBondContact OG1-CD1 3.17Å; T507-C603 WeakPolarHBondContact CA-O 3.35Å; T507-C603 VanDerWaalsContact CB-O 3.28Å; T507-C603 WeakPolarHBondContact CB-O 3.25Å; T507-C603 PolarHBondContact OG1-O 2.84Å
508	F	93.1	Very high	84.3	Confident	0 Å²	0	20 Å²	20	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	158.2	171.5	61.2	-107.1	0	0	0	110.9	Y506 I510 M518 H519 I537 E541 I553 Y590 C603 V605	Y506-F508 HydrophobicContact CE2-CD1 4.29Å; F508-I510 HydrophobicContact CD2-CG2 3.92Å; F508-I510 HydrophobicContact CE2-CG2 4.17Å; F508-M518 CarbonylContact C-O 3.36Å; F508-M518 WeakPolarHBondContact CA-O 3.46Å; F508-M518 WeakPolarHBondContact CB-O 3.42Å; F508-H519 HydrophobicContact CB-CB 4.15Å; F508-I537 HydrophobicContact CB-CD1 4.41Å; F508-I537 HydrophobicContact CD1-CD1 4.06Å; F508-I537 HydrophobicContact CD2-CD1 3.68Å; F508-I537 HydrophobicContact CD2-CG1 4.15Å; F508-I537 HydrophobicContact CE1-CD1 4.15Å; F508-I537 HydrophobicContact CE1-CG1 4.45Å; F508-I537 HydrophobicContact CE2-CD1 3.78Å; F508-I537 HydrophobicContact CE2-CG1 3.74Å; F508-I537 HydrophobicContact CG-CD1 3.82Å; F508-I537 HydrophobicContact CZ-CD1 4.01Å; F508-I537 HydrophobicContact CZ-CG1 3.9Å; F508-E541 HydrophobicContact CE1-CG 4.04Å; F508-E541 WeakPolarHBondContact CE1-OE1 3.41Å; F508-I553 HydrophobicContact CZ-CD1 4.35Å; F508-Y590 HydrophobicContact CE1-CD1 4.39Å; F508-Y590 HydrophobicContact CE1-CE1 4.26Å; F508-C603 HydrophobicContact CD1-CB 4.3Å; F508-C603 HydrophobicContact CD2-CB 3.82Å; F508-C603 HydrophobicContact CE1-CB 3.89Å; F508-C603 HydrophobicContact CE2-CB 3.37Å; F508-C603 HydrophobicContact CG-CB 4.28Å; F508-C603 HydrophobicContact CZ-CB 3.41Å; F508-C603 VanDerWaalsContact CZ-CB 3.41Å; F508-C603 PolarHBondContact N-O 2.84Å; F508-C603 PolarHBondContact O-N 3.06Å; F508-V605 HydrophobicContact CD1-CG2 4.06Å; F508-V605 HydrophobicContact CE1-CG2 3.69Å
509	L	94.9	Very high	84.3	Confident	1 Å²	1	18.7 Å²	18.7	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.7	177	-169.9	74.7	0	0	0	108.9	L493 V496 L517 M518 F600 L602	L493-L509 HydrophobicContact CD2-CD2 3.69Å; V496-L509 HydrophobicContact CG1-CB 4.45Å; V496-L509 HydrophobicContact CG2-CB 4.43Å; L509-L517 HydrophobicContact CD2-CB 4.42Å; L509-L517 HydrophobicContact CD2-CD2 4.36Å; L509-L517 PolarHBondContact O-N 2.74Å; L509-M518 PolarHBondContact N-O 2.86Å; L509-M518 PolarHBondContact O-N 2.69Å; L509-F600 HydrophobicContact CD1-CB 4.14Å; L509-F600 HydrophobicContact CG-CB 4.45Å; L509-L602 HydrophobicContact CD1-CB 4.1Å; L509-L602 HydrophobicContact CD1-CD1 4.15Å
510	I	94.8	Very high	84.2	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	166.7	178.9	62.1	169.1	0	0	0	110.8	F508 Y515 I537 I553 L554 F600 I601	F508-I510 HydrophobicContact CD2-CG2 3.92Å; F508-I510 HydrophobicContact CE2-CG2 4.17Å; I510-Y515 CarbonylContact C-O 3.55Å; I510-Y515 WeakPolarHBondContact CA-O 3.37Å; I510-Y515 WeakPolarHBondContact CB-O 3.49Å; I510-I537 HydrophobicContact CD1-CG2 4.46Å; I510-I537 HydrophobicContact CG2-CB 3.84Å; I510-I537 HydrophobicContact CG2-CD1 4.14Å; I510-I537 HydrophobicContact CG2-CG1 4.09Å; I510-I537 HydrophobicContact CG2-CG2 4.38Å; I510-I553 HydrophobicContact CD1-CG2 3.66Å; I510-L554 HydrophobicContact CD1-CD2 4.01Å; I510-F600 CarbonylContact O-C 3.52Å; I510-F600 WeakPolarHBondContact O-CA 3.4Å; I510-I601 HydrophobicContact CD1-CB 4.39Å; I510-I601 HydrophobicContact CG1-CB 3.94Å; I510-I601 PolarHBondContact N-O 3.01Å; I510-I601 PolarHBondContact O-N 3.45Å
511	D	91.6	Very high	84.6	Confident	1 Å²	1	15.5 Å²	15.5	1%	0.005	8%	0.082	C	C	.	.			trans	-87.5	-178.8	165.5	79.6	-5.9	0	0	0	112.9	H261 L455 K513 G514 Y515 L517 S599 F600	H261-D511 IonicContact CD2-OD2 3.6Å; H261-D511 IonicContact CE1-OD2 2.73Å; H261-D511 IonicContact NE2-OD2 3.44Å; H261-D511 PolarHBondContact NE2-OD2 3.19Å; L455-D511 HydrophobicContact CD2-CB 4.46Å; D511-K513 PolarHBondContact O-N 3.27Å; D511-K513 WeakPolarHBondContact OD1-CA 3.47Å; D511-K513 WeakPolarHBondContact OD1-CB 3.32Å; D511-K513 PolarHBondContact OD1-N 3.01Å; D511-G514 PolarHBondContact O-N 2.9Å; D511-G514 PolarHBondContact OD1-N 3.4Å; D511-Y515 PolarHBondContact N-O 2.66Å; D511-Y515 PolarHBondContact OD1-N 3.44Å; D511-Y515 WeakPolarHBondContact OD2-CD2 3.26Å; D511-L517 HydrophobicContact CB-CD1 4.36Å; D511-S599 CarbonylContact C-O 3.57Å; D511-F600 HydrophobicContact CB-CD1 4.35Å; D511-F600 HydrophobicContact CB-CE1 4.43Å
512	D	87.5	Confident	85.2	Confident	69 Å²	69	15 Å²	15	37%	0.369	8%	0.079	S	C	.	.	S	Bend	trans	-75.2	-0.5	179.7	80	-49.4	0	0	0	114.3	S599	D512-S599 PolarHBondContact N-O 2.83Å; D512-S599 VanDerWaalsContact N-O 3.1Å
513	K	84.8	Confident	86	Confident	67 Å²	67	15 Å²	15	29%	0.291	8%	0.078	S	C	.	.	S	Bend	trans	-102.2	-26.8	174.1	-51.2	-54.1	-174.4	-78.8	0	112	D511 Y515 R550	D511-K513 PolarHBondContact O-N 3.27Å; D511-K513 WeakPolarHBondContact OD1-CA 3.47Å; D511-K513 WeakPolarHBondContact OD1-CB 3.32Å; D511-K513 PolarHBondContact OD1-N 3.01Å; K513-Y515 HydrophobicContact CB-CD2 4.4Å; K513-R550 PolarHBondContact O-NH2 2.91Å
514	G	88.8	Confident	86.9	Confident	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	118.7	-0.8	-179.3	0	0	0	0	0	114.4	D511 D536 I537	D511-G514 PolarHBondContact O-N 2.9Å; D511-G514 PolarHBondContact OD1-N 3.4Å; G514-D536 WeakPolarHBondContact O-CA 3.48Å; G514-I537 PolarHBondContact O-N 3.07Å
515	Y	88.9	Confident	87.7	Confident	33 Å²	33	14.1 Å²	14.1	13%	0.129	7%	0.073	C	C	.	.	B	Isolated β-bridge	trans	-68.2	135.2	178.4	-67.5	-53.7	0	0	0	110.8	E260 H261 L455 I510 D511 K513 H534	E260-Y515 HydrophobicContact CB-CE2 4.4Å; E260-Y515 WeakPolarHBondContact O-CE2 3.27Å; E260-Y515 PolarHBondContact O-OH 3.02Å; H261-Y515 AromaticContact CD2-CD2 3.96Å; H261-Y515 AromaticContact CD2-CE2 3.76Å; H261-Y515 AromaticContact NE2-CD2 3.96Å; L455-Y515 HydrophobicContact CD1-CD2 3.81Å; L455-Y515 HydrophobicContact CD1-CE2 4.28Å; L455-Y515 HydrophobicContact CD1-CG 4.33Å; I510-Y515 CarbonylContact C-O 3.55Å; I510-Y515 WeakPolarHBondContact CA-O 3.37Å; I510-Y515 WeakPolarHBondContact CB-O 3.49Å; D511-Y515 PolarHBondContact N-O 2.66Å; D511-Y515 PolarHBondContact OD1-N 3.44Å; D511-Y515 WeakPolarHBondContact OD2-CD2 3.26Å; K513-Y515 HydrophobicContact CB-CD2 4.4Å; Y515-H534 HydrophobicContact CD1-CB 4.2Å; Y515-H534 WeakPolarHBondContact CD1-O 3.3Å; Y515-H534 HydrophobicContact CE1-CB 4.45Å; Y515-H534 WeakPolarHBondContact CE1-O 3.42Å; Y515-H534 HydrophobicContact CG-CB 4.49Å
516	T	89.8	Confident	87.8	Confident	5 Å²	5	18.2 Å²	18.2	3%	0.031	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	123.5	-174.5	-53.8	0	0	0	0	111.9	H519 L522 T535 I537 Y540	T516-H519 HydrophobicContact CG2-CB 3.73Å; T516-L522 HydrophobicContact CG2-CD1 4.23Å; T516-T535 WeakPolarHBondContact CB-O 3.46Å; T516-T535 PolarHBondContact N-O 2.85Å; T516-T535 PolarHBondContact OG1-O 3.16Å; T516-I537 HydrophobicContact CG2-CD1 4.46Å; T516-I537 WeakPolarHBondContact OG1-CA 3.5Å; T516-I537 PolarHBondContact OG1-N 3.45Å; T516-Y540 HydrophobicContact CG2-CD2 4.23Å; T516-Y540 HydrophobicContact CG2-CE2 4.1Å; T516-Y540 WeakPolarHBondContact OG1-CD2 3.5Å; T516-Y540 WeakPolarHBondContact OG1-CE2 3.41Å
517	L	91	Very high	87.6	Confident	6 Å²	6	20.6 Å²	20.6	3%	0.031	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-36.4	172	-78.2	79.6	0	0	0	111.9	L455 P456 M467 L493 L509 D511 F600	L455-L517 HydrophobicContact CD2-CD1 4.27Å; P456-L517 HydrophobicContact CG-CD2 4.42Å; P456-L517 HydrophobicContact CG-CG 4.28Å; M467-L517 HydrophobicContact SD-CD2 4.17Å; L493-L517 WeakPolarHBondContact CD1-O 3.39Å; L493-L517 HydrophobicContact CD2-CB 4.39Å; L509-L517 HydrophobicContact CD2-CB 4.42Å; L509-L517 HydrophobicContact CD2-CD2 4.36Å; L509-L517 PolarHBondContact O-N 2.74Å; D511-L517 HydrophobicContact CB-CD1 4.36Å; L517-F600 HydrophobicContact CD1-CD1 3.99Å; L517-F600 HydrophobicContact CD1-CE1 3.84Å; L517-F600 HydrophobicContact CD2-CD1 3.89Å; L517-F600 HydrophobicContact CD2-CE1 3.42Å; L517-F600 VanDerWaalsContact CD2-CE1 3.42Å; L517-F600 HydrophobicContact CD2-CZ 3.93Å; L517-F600 HydrophobicContact CG-CE1 4.29Å
518	M	89.8	Confident	86.9	Confident	8 Å²	8	22.1 Å²	22.1	4%	0.039	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	135.1	176.2	-172.4	65	-150.2	0	0	110.9	L493 V496 T497 F508 L509 P525	L493-M518 HydrophobicContact CD1-CB 4.03Å; L493-M518 HydrophobicContact CD2-CB 4.02Å; L493-M518 HydrophobicContact CG-CB 4.47Å; V496-M518 HydrophobicContact CB-CB 4.48Å; V496-M518 HydrophobicContact CB-CG 4.23Å; V496-M518 HydrophobicContact CG1-CB 3.97Å; V496-M518 HydrophobicContact CG1-CG 3.81Å; T497-M518 HydrophobicContact CG2-CE 3.99Å; T497-M518 PolarHBondContact OG1-SD 2.9Å; T497-M518 VanDerWaalsContact OG1-SD 3.32Å; F508-M518 CarbonylContact C-O 3.36Å; F508-M518 WeakPolarHBondContact CA-O 3.46Å; F508-M518 WeakPolarHBondContact CB-O 3.42Å; L509-M518 PolarHBondContact N-O 2.86Å; L509-M518 PolarHBondContact O-N 2.69Å; M518-P525 HydrophobicContact SD-CG 4.27Å
519	H	88.6	Confident	85.9	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.005	14%	0.144	C	C	.	.			trans	-150.8	148.4	172.3	170.5	-97.6	0	0	0	108	Y506 F508 T516 S521 L522 Y540 E541 W573	Y506-H519 AromaticContact CE2-NE2 3.93Å; F508-H519 HydrophobicContact CB-CB 4.15Å; T516-H519 HydrophobicContact CG2-CB 3.73Å; H519-S521 PolarHBondContact CE1-OG 3.18Å; H519-S521 VanDerWaalsContact CE1-OG 3.27Å; H519-S521 PolarHBondContact ND1-N 2.77Å; H519-S521 PolarHBondContact O-N 3.47Å; H519-S521 VanDerWaalsContact O-N 3.08Å; H519-L522 WeakPolarHBondContact O-CB 3.45Å; H519-L522 PolarHBondContact O-N 3.24Å; H519-Y540 AromaticContact ND1-CD1 3.67Å; H519-Y540 AromaticContact ND1-CG 3.97Å; H519-E541 IonicContact NE2-OE1 3.82Å; H519-W573 AromaticContact CE1-CZ2 3.91Å
520	P	82.9	Confident	84.9	Confident	25 Å²	25	31.3 Å²	31.3	16%	0.162	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-11.5	-167.1	-14.8	27.2	0	0	0	116.1	Y506 L522 W573	Y506-P520 HydrophobicContact CD2-CG 3.59Å; Y506-P520 HydrophobicContact CG-CG 3.94Å; P520-L522 VanDerWaalsContact C-N 3.34Å; P520-W573 HydrophobicContact CB-CH2 4.11Å
521	S	80.2	Confident	83.9	Confident	9 Å²	9	33.4 Å²	33.4	6%	0.063	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-8.6	168.5	-53.4	0	0	0	0	113.8	H519 W573 C996	H519-S521 PolarHBondContact CE1-OG 3.18Å; H519-S521 VanDerWaalsContact CE1-OG 3.27Å; H519-S521 PolarHBondContact ND1-N 2.77Å; H519-S521 PolarHBondContact O-N 3.47Å; H519-S521 VanDerWaalsContact O-N 3.08Å; S521-W573 VanDerWaalsContact OG-CH2 3.27Å; S521-W573 WeakPolarHBondContact OG-CH2 3.29Å; S521-W573 WeakPolarHBondContact OG-CZ2 3.46Å; S521-C996 PolarHBondContact OG-O 3.18Å
522	L	83.1	Confident	83	Confident	14 Å²	14	34.3 Å²	34.3	7%	0.073	18%	0.182	C	C	.	.	S	Bend	trans	-83.7	144.4	171.3	-70.8	173.4	0	0	0	110.7	T516 H519 P520 Y540 F893	T516-L522 HydrophobicContact CG2-CD1 4.23Å; H519-L522 WeakPolarHBondContact O-CB 3.45Å; H519-L522 PolarHBondContact O-N 3.24Å; P520-L522 VanDerWaalsContact C-N 3.34Å; L522-Y540 HydrophobicContact CD2-CE1 3.92Å; L522-Y540 HydrophobicContact CG-CE1 4.03Å; L522-F893 HydrophobicContact CD2-CB 4.31Å
523	T	83.5	Confident	82.3	Confident	19 Å²	19	31.8 Å²	31.8	12%	0.117	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-62.8	142.6	171.7	-60.8	0	0	0	0	109.7	L527 L528 S894	T523-L527 HydrophobicContact CG2-CB 3.96Å; T523-L528 HydrophobicContact CG2-CD2 4.07Å; T523-S894 PolarHBondContact N-OG 2.92Å; T523-S894 VanDerWaalsContact OG1-CB 3.32Å; T523-S894 WeakPolarHBondContact OG1-CB 3.36Å; T523-S894 PolarHBondContact OG1-OG 3.32Å
524	R	85.2	Confident	82.1	Confident	9 Å²	9	29.9 Å²	29.9	3%	0.034	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-59.4	138	-176.2	-66.7	-166.6	163.3	129.8	-15.6	111.3	T497 Y498 Y526 L527 L528 D753 E1001	T497-R524 HydrophobicContact CG2-CB 4.06Å; T497-R524 HydrophobicContact CG2-CG 3.62Å; Y498-R524 VanDerWaalsContact CE1-CZ 3.44Å; Y498-R524 VanDerWaalsContact CE1-NH2 3.29Å; Y498-R524 WeakPolarHBondContact OH-CD 3.41Å; R524-Y526 PolarHBondContact O-N 3.23Å; R524-L527 HydrophobicContact CB-CD1 4.46Å; R524-L527 PolarHBondContact O-N 3.39Å; R524-L528 PolarHBondContact O-N 3.24Å; R524-D753 IonicContact CZ-OD2 3.73Å; R524-D753 IonicContact NH1-OD2 3.67Å; R524-D753 PolarHBondContact NH1-OD2 3.18Å; R524-D753 IonicContact NH2-OD2 2.67Å; R524-D753 PolarHBondContact NH2-OD2 3.36Å; R524-E1001 WeakPolarHBondContact CD-OE1 3.43Å; R524-E1001 WeakPolarHBondContact CG-OE1 3.43Å; R524-E1001 IonicContact CZ-OE1 2.77Å; R524-E1001 IonicContact NE-OE1 3.25Å; R524-E1001 VanDerWaalsContact NH1-CD 3.29Å; R524-E1001 IonicContact NH1-OE1 2.67Å; R524-E1001 PolarHBondContact NH1-OE1 3.36Å; R524-E1001 IonicContact NH1-OE2 2.72Å; R524-E1001 PolarHBondContact NH1-OE2 3.36Å
525	P	86.1	Confident	81.6	Confident	10 Å²	10	30.8 Å²	30.8	7%	0.065	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-54.1	-26.9	-179.2	-32.3	37.3	0	0	0	116.6	L489 A490 L493 M518 L527	L489-P525 HydrophobicContact CB-CB 4.45Å; L489-P525 HydrophobicContact CD2-CB 4.01Å; L489-P525 HydrophobicContact CD2-CG 4.35Å; L489-P525 HydrophobicContact CG-CB 3.97Å; L489-P525 HydrophobicContact CG-CG 4.3Å; A490-P525 HydrophobicContact CB-CB 3.99Å; L493-P525 HydrophobicContact CB-CG 4.2Å; L493-P525 HydrophobicContact CD1-CG 3.72Å; M518-P525 HydrophobicContact SD-CG 4.27Å; P525-L527 VanDerWaalsContact C-N 3.29Å
526	Y	82.3	Confident	81.4	Confident	95 Å²	95	30.5 Å²	30.5	37%	0.373	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-73.3	-18.7	175.8	-175.7	-95.1	0	0	0	113.5	R524 L669	R524-Y526 PolarHBondContact O-N 3.23Å; Y526-L669 HydrophobicContact CD1-CB 4.47Å; Y526-L669 HydrophobicContact CD1-CD1 4.02Å; Y526-L669 HydrophobicContact CD1-CD2 4.47Å; Y526-L669 HydrophobicContact CD2-CB 3.98Å; Y526-L669 HydrophobicContact CD2-CD1 4.36Å; Y526-L669 HydrophobicContact CE1-CB 4.23Å; Y526-L669 HydrophobicContact CE1-CD1 4.44Å; Y526-L669 HydrophobicContact CE1-CD2 4.16Å; Y526-L669 HydrophobicContact CE2-CB 3.7Å; Y526-L669 HydrophobicContact CG-CB 4.36Å; Y526-L669 HydrophobicContact CG-CD1 3.98Å; Y526-L669 PolarHBondContact OH-O 3.48Å
527	L	80.6	Confident	81.3	Confident	58 Å²	58	30.3 Å²	30.3	30%	0.304	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-105.4	1.9	-179.8	-59.8	176.2	0	0	0	112.7	T523 R524 P525 E1001	T523-L527 HydrophobicContact CG2-CB 3.96Å; R524-L527 HydrophobicContact CB-CD1 4.46Å; R524-L527 PolarHBondContact O-N 3.39Å; P525-L527 VanDerWaalsContact C-N 3.29Å; L527-E1001 HydrophobicContact CD1-CB 3.88Å; L527-E1001 HydrophobicContact CD1-CG 3.59Å
528	L	78.6	Confident	81.1	Confident	35 Å²	35	32.2 Å²	32.2	18%	0.183	18%	0.176	C	C	.	.			trans	-86.9	118.3	178.8	-72.5	179.3	0	0	0	111	L465 T523 R524 P532	L465-L528 HydrophobicContact CD1-CB 3.6Å; L465-L528 HydrophobicContact CD1-CD1 3.69Å; L465-L528 HydrophobicContact CD1-CG 4.31Å; L465-L528 HydrophobicContact CG-CB 4.41Å; T523-L528 HydrophobicContact CG2-CD2 4.07Å; R524-L528 PolarHBondContact O-N 3.24Å; L528-P532 HydrophobicContact CD1-CB 4.36Å; L528-P532 HydrophobicContact CD1-CG 4.5Å
529	S	70.4	Confident	80.6	Confident	105 Å²	105	32 Å²	32	73%	0.734	17%	0.174	S	C	*	.	S	Bend	trans	-91.9	-15.7	171.2	57.2	0	0	0	0	113.8
530	E	74.8	Confident	80.3	Confident	89 Å²	89	32.1 Å²	32.1	42%	0.416	18%	0.175	S	C	.	.	S	Bend	trans	-123.8	150.5	175.2	-73.5	-171.6	-161.5	0	0	109.8	R896 P1179	E530-R896 IonicContact OE2-NH2 2.77Å; E530-P1179 WeakPolarHBondContact OE1-CG 3.49Å
531	P	72.6	Confident	80.2	Confident	43 Å²	43	31.1 Å²	31.1	28%	0.279	17%	0.168	S	C	.	.	P	Polyproline II helix	trans	-63.2	139.7	176.4	26.5	-34.1	0	0	0	110.9	L465	L465-P531 HydrophobicContact CD2-CB 4.1Å
532	P	73.1	Confident	80	Confident	20 Å²	20	32.4 Å²	32.4	13%	0.13	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-66.2	151.8	-179.3	29.3	-36	0	0	0	111	L528 H534	L528-P532 HydrophobicContact CD1-CB 4.36Å; L528-P532 HydrophobicContact CD1-CG 4.5Å; P532-H534 PolarHBondContact O-N 3.34Å
533	L	72.8	Confident	79.7	Confident	16 Å²	16	32.2 Å²	32.2	8%	0.084	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-61.5	123.8	170.1	-76.5	174.3	0	0	0	110.3	E292 T535 R896	E292-L533 VanDerWaalsContact CD-CD2 3.46Å; E292-L533 HydrophobicContact CG-CD2 4.41Å; E292-L533 VanDerWaalsContact OE1-CD2 3.24Å; E292-L533 WeakPolarHBondContact OE1-CD2 3.35Å; L533-T535 WeakPolarHBondContact CB-OG1 3.41Å; L533-T535 PolarHBondContact O-N 3.18Å; L533-R896 HydrophobicContact CD1-CG 4.03Å; L533-R896 VanDerWaalsContact CD2-NH1 3.32Å
534	H	80.3	Confident	79.5	Confident	27 Å²	27	34.8 Å²	34.8	13%	0.125	19%	0.19	C	C	.	.			trans	-72.3	78.9	170.1	-56.1	-46.9	0	0	0	109.4	L455 P456 Y515 P532	L455-H534 HydrophobicContact CD1-CB 4.18Å; P456-H534 PolarHBondContact O-CE1 3.05Å; P456-H534 VanDerWaalsContact O-CE1 3.24Å; Y515-H534 HydrophobicContact CD1-CB 4.2Å; Y515-H534 WeakPolarHBondContact CD1-O 3.3Å; Y515-H534 HydrophobicContact CE1-CB 4.45Å; Y515-H534 WeakPolarHBondContact CE1-O 3.42Å; Y515-H534 HydrophobicContact CG-CB 4.49Å; P532-H534 PolarHBondContact O-N 3.34Å
535	T	79.6	Confident	79.4	Confident	19 Å²	19	41.4 Å²	41.4	12%	0.117	22%	0.219	C	C	.	.			trans	-107.6	139.9	-175.8	-58.6	0	0	0	0	110.1	T516 L533 H539 Y540 F893	T516-T535 WeakPolarHBondContact CB-O 3.46Å; T516-T535 PolarHBondContact N-O 2.85Å; T516-T535 PolarHBondContact OG1-O 3.16Å; L533-T535 WeakPolarHBondContact CB-OG1 3.41Å; L533-T535 PolarHBondContact O-N 3.18Å; T535-H539 HydrophobicContact CG2-CB 3.86Å; T535-Y540 HydrophobicContact CG2-CE2 3.9Å; T535-F893 HydrophobicContact CG2-CD1 4.2Å; T535-F893 HydrophobicContact CG2-CE1 4.07Å
536	D	84.6	Confident	79.4	Confident	27 Å²	27	41 Å²	41	14%	0.144	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-66.5	141.5	178.1	-169.3	-76.5	0	0	0	112.1	G514 I538 H539 R550	G514-D536 WeakPolarHBondContact O-CA 3.48Å; D536-I538 HydrophobicContact CB-CG2 4.03Å; D536-I538 PolarHBondContact O-N 2.82Å; D536-I538 WeakPolarHBondContact OD1-CB 3.46Å; D536-I538 VanDerWaalsContact OD1-CG2 3.28Å; D536-I538 WeakPolarHBondContact OD1-CG2 3.47Å; D536-I538 PolarHBondContact OD1-N 2.87Å; D536-H539 PolarHBondContact O-N 3.25Å; D536-H539 VanDerWaalsContact O-N 3.08Å; D536-R550 IonicContact OD1-CZ 2.71Å; D536-R550 IonicContact OD1-NE 2.63Å; D536-R550 PolarHBondContact OD1-NE 2.95Å; D536-R550 IonicContact OD1-NH2 3.22Å; D536-R550 IonicContact OD2-CZ 2.69Å; D536-R550 IonicContact OD2-NE 3.35Å; D536-R550 PolarHBondContact OD2-NE 2.97Å; D536-R550 IonicContact OD2-NH2 3.71Å; D536-R550 PolarHBondContact OD2-NH2 3.38Å
537	I	88.4	Confident	79.7	Confident	1 Å²	1	40 Å²	40	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-52.1	-28.7	178.8	-169.9	62.8	0	0	0	113.9	F508 I510 G514 T516 H539 Y540 E541 F546 R550	F508-I537 HydrophobicContact CB-CD1 4.41Å; F508-I537 HydrophobicContact CD1-CD1 4.06Å; F508-I537 HydrophobicContact CD2-CD1 3.68Å; F508-I537 HydrophobicContact CD2-CG1 4.15Å; F508-I537 HydrophobicContact CE1-CD1 4.15Å; F508-I537 HydrophobicContact CE1-CG1 4.45Å; F508-I537 HydrophobicContact CE2-CD1 3.78Å; F508-I537 HydrophobicContact CE2-CG1 3.74Å; F508-I537 HydrophobicContact CG-CD1 3.82Å; F508-I537 HydrophobicContact CZ-CD1 4.01Å; F508-I537 HydrophobicContact CZ-CG1 3.9Å; I510-I537 HydrophobicContact CD1-CG2 4.46Å; I510-I537 HydrophobicContact CG2-CB 3.84Å; I510-I537 HydrophobicContact CG2-CD1 4.14Å; I510-I537 HydrophobicContact CG2-CG1 4.09Å; I510-I537 HydrophobicContact CG2-CG2 4.38Å; G514-I537 PolarHBondContact O-N 3.07Å; T516-I537 HydrophobicContact CG2-CD1 4.46Å; T516-I537 WeakPolarHBondContact OG1-CA 3.5Å; T516-I537 PolarHBondContact OG1-N 3.45Å; I537-H539 PolarHBondContact O-N 3.02Å; I537-H539 VanDerWaalsContact O-N 3.15Å; I537-Y540 PolarHBondContact O-N 2.86Å; I537-Y540 VanDerWaalsContact O-N 3.09Å; I537-E541 HydrophobicContact CD1-CG 3.94Å; I537-E541 HydrophobicContact CG1-CG 4.05Å; I537-E541 PolarHBondContact O-N 2.92Å; I537-F546 HydrophobicContact CG1-CE1 4.29Å; I537-F546 HydrophobicContact CG1-CZ 3.97Å; I537-F546 HydrophobicContact CG2-CE1 4.2Å; I537-F546 HydrophobicContact CG2-CZ 4.33Å; I537-R550 HydrophobicContact CG2-CG 4.12Å
538	I	84.9	Confident	80.1	Confident	46 Å²	46	41.6 Å²	41.6	24%	0.236	22%	0.223	C	C	.	.	H	α-helix	trans	-55.6	-30.4	176.8	-158.9	178.3	0	0	0	113.6	D536 E547	D536-I538 HydrophobicContact CB-CG2 4.03Å; D536-I538 PolarHBondContact O-N 2.82Å; D536-I538 WeakPolarHBondContact OD1-CB 3.46Å; D536-I538 VanDerWaalsContact OD1-CG2 3.28Å; D536-I538 WeakPolarHBondContact OD1-CG2 3.47Å; D536-I538 PolarHBondContact OD1-N 2.87Å; I538-E547 VanDerWaalsContact CD1-OE2 3.31Å; I538-E547 WeakPolarHBondContact CD1-OE2 3.35Å
539	H	80.3	Confident	80.7	Confident	3 Å²	3	39.9 Å²	39.9	1%	0.014	22%	0.215	C	C	.	.	H	α-helix	trans	-83.2	-25	-178.6	-61.9	-54.3	0	0	0	112.7	T535 D536 I537 F893 L986 N991	T535-H539 HydrophobicContact CG2-CB 3.86Å; D536-H539 PolarHBondContact O-N 3.25Å; D536-H539 VanDerWaalsContact O-N 3.08Å; I537-H539 PolarHBondContact O-N 3.02Å; I537-H539 VanDerWaalsContact O-N 3.15Å; H539-F893 HydrophobicContact CB-CE1 4.03Å; H539-F893 HydrophobicContact CB-CZ 3.89Å; H539-F893 WeakPolarHBondContact O-CZ 2.98Å; H539-L986 HydrophobicContact CB-CD1 4.09Å; H539-N991 PolarHBondContact CE1-OD1 3.03Å; H539-N991 VanDerWaalsContact CE1-OD1 3.31Å; H539-N991 PolarHBondContact ND1-OD1 3.01Å
540	Y	81.5	Confident	81.7	Confident	5 Å²	5	36.9 Å²	36.9	2%	0.02	19%	0.187	C	C	.	.	H	α-helix	trans	-81.3	-47.7	174.1	-63.8	-78.8	0	0	0	111.2	T516 H519 L522 T535 I537 N542 F893 S995	T516-Y540 HydrophobicContact CG2-CD2 4.23Å; T516-Y540 HydrophobicContact CG2-CE2 4.1Å; T516-Y540 WeakPolarHBondContact OG1-CD2 3.5Å; T516-Y540 WeakPolarHBondContact OG1-CE2 3.41Å; H519-Y540 AromaticContact ND1-CD1 3.67Å; H519-Y540 AromaticContact ND1-CG 3.97Å; L522-Y540 HydrophobicContact CD2-CE1 3.92Å; L522-Y540 HydrophobicContact CG-CE1 4.03Å; T535-Y540 HydrophobicContact CG2-CE2 3.9Å; I537-Y540 PolarHBondContact O-N 2.86Å; I537-Y540 VanDerWaalsContact O-N 3.09Å; Y540-N542 VanDerWaalsContact C-N 3.3Å; Y540-N542 PolarHBondContact O-N 3.1Å; Y540-F893 AromaticContact CD1-CD2 3.67Å; Y540-F893 HydrophobicContact CD1-CD2 3.67Å; Y540-F893 AromaticContact CD1-CE2 3.9Å; Y540-F893 HydrophobicContact CD1-CE2 3.9Å; Y540-F893 HydrophobicContact CD1-CG 4.24Å; Y540-F893 HydrophobicContact CE1-CB 3.71Å; Y540-F893 HydrophobicContact CE1-CD1 4.24Å; Y540-F893 AromaticContact CE1-CD2 3.38Å; Y540-F893 HydrophobicContact CE1-CD2 3.38Å; Y540-F893 HydrophobicContact CE1-CE2 4.02Å; Y540-F893 AromaticContact CE1-CG 3.51Å; Y540-F893 HydrophobicContact CE1-CG 3.51Å; Y540-F893 AromaticContact CZ-CG 3.93Å; Y540-S995 WeakPolarHBondContact CA-OG 3.32Å; Y540-S995 PolarHBondContact O-OG 3.16Å
541	E	82.4	Confident	82.4	Confident	3 Å²	3	37.3 Å²	37.3	1%	0.014	19%	0.189	C	C	.	.	S	Bend	trans	-90.3	51.9	-179.8	-68.6	-75.5	175.8	0	0	111.3	Y506 F508 H519 I537 I543 F546 Y590	Y506-E541 WeakPolarHBondContact CE2-OE1 3.11Å; Y506-E541 VanDerWaalsContact OH-CD 3.25Å; Y506-E541 PolarHBondContact OH-OE1 2.62Å; Y506-E541 PolarHBondContact OH-OE2 2.81Å; Y506-E541 VanDerWaalsContact OH-OE2 3.12Å; F508-E541 HydrophobicContact CE1-CG 4.04Å; F508-E541 WeakPolarHBondContact CE1-OE1 3.41Å; H519-E541 IonicContact NE2-OE1 3.82Å; I537-E541 HydrophobicContact CD1-CG 3.94Å; I537-E541 HydrophobicContact CG1-CG 4.05Å; I537-E541 PolarHBondContact O-N 2.92Å; E541-I543 HydrophobicContact CB-CD1 4.31Å; E541-I543 PolarHBondContact O-N 2.86Å; E541-I543 WeakPolarHBondContact OE2-CD1 3.5Å; E541-F546 HydrophobicContact CB-CD1 3.66Å; E541-F546 HydrophobicContact CB-CD2 3.88Å; E541-F546 HydrophobicContact CB-CE1 3.51Å; E541-F546 HydrophobicContact CB-CE2 3.74Å; E541-F546 HydrophobicContact CB-CG 3.85Å; E541-F546 HydrophobicContact CB-CZ 3.57Å; E541-F546 HydrophobicContact CG-CE1 4.27Å; E541-F546 HydrophobicContact CG-CE2 3.99Å; E541-F546 HydrophobicContact CG-CZ 3.86Å; E541-F546 WeakPolarHBondContact O-CB 3.11Å; E541-F546 WeakPolarHBondContact O-CD1 3.41Å; E541-F546 WeakPolarHBondContact O-CG 3.39Å; E541-Y590 PolarHBondContact OE2-OH 3.14Å
542	N	75.6	Confident	83.4	Confident	36 Å²	36	37.4 Å²	37.4	19%	0.193	19%	0.187	C	C	.	.			trans	-72.5	66.2	-172.3	-171.6	1	0	0	0	113.4	Y540 S570 N991 N993	Y540-N542 VanDerWaalsContact C-N 3.3Å; Y540-N542 PolarHBondContact O-N 3.1Å; N542-S570 VanDerWaalsContact C-OG 3.27Å; N542-S570 VanDerWaalsContact O-CB 3.26Å; N542-S570 WeakPolarHBondContact O-CB 3.29Å; N542-S570 PolarHBondContact O-OG 3.43Å; N542-N991 PolarHBondContact ND2-O 2.69Å; N542-N991 PolarHBondContact OD1-O 3.1Å; N542-N993 PolarHBondContact ND2-O 3.2Å
543	I	77.1	Confident	84.4	Confident	11 Å²	11	36.5 Å²	36.5	6%	0.056	18%	0.181	C	C	.	.			trans	-124	140.1	-165.5	-57.3	151.2	0	0	0	110.1	E541 K545 F546 I563 V565 S570 L571 Y590	E541-I543 HydrophobicContact CB-CD1 4.31Å; E541-I543 PolarHBondContact O-N 2.86Å; E541-I543 WeakPolarHBondContact OE2-CD1 3.5Å; I543-K545 PolarHBondContact O-N 3.33Å; I543-F546 HydrophobicContact CB-CB 4.15Å; I543-F546 WeakPolarHBondContact O-CB 3.21Å; I543-F546 PolarHBondContact O-N 3.14Å; I543-I563 HydrophobicContact CG2-CD1 3.89Å; I543-V565 HydrophobicContact CG2-CB 4.5Å; I543-V565 HydrophobicContact CG2-CG1 4Å; I543-V565 HydrophobicContact CG2-CG2 3.74Å; I543-S570 WeakPolarHBondContact CG1-OG 3.41Å; I543-L571 HydrophobicContact CD1-CD1 3.43Å; I543-L571 VanDerWaalsContact CD1-CD1 3.43Å; I543-L571 HydrophobicContact CD1-CD2 4.16Å; I543-L571 HydrophobicContact CD1-CG 3.52Å; I543-L571 HydrophobicContact CG1-CD1 4.07Å; I543-L571 HydrophobicContact CG1-CG 3.89Å; I543-Y590 WeakPolarHBondContact CD1-OH 3.39Å
544	P	77.4	Confident	85.3	Confident	72 Å²	72	38.2 Å²	38.2	47%	0.468	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	125.6	173.8	-27.5	35.5	0	0	0	112.1	F546	P544-F546 VanDerWaalsContact C-N 3.34Å
545	K	83.3	Confident	85.8	Confident	149 Å²	149	40.8 Å²	40.8	65%	0.648	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.2	1.7	-177	-46.8	170	-175.4	171.2	0	116.4	I543 E547 L548	I543-K545 PolarHBondContact O-N 3.33Å; K545-E547 PolarHBondContact O-N 3.31Å; K545-L548 PolarHBondContact O-N 3.09Å; K545-L548 VanDerWaalsContact O-N 3.17Å
546	F	87.8	Confident	86.4	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.009	23%	0.227	C	C	.	.	H	α-helix	trans	-60	-30.8	176.1	179.5	-102.3	0	0	0	113.1	I537 E541 I543 P544 L548 V549 R550 I553 Y590	I537-F546 HydrophobicContact CG1-CE1 4.29Å; I537-F546 HydrophobicContact CG1-CZ 3.97Å; I537-F546 HydrophobicContact CG2-CE1 4.2Å; I537-F546 HydrophobicContact CG2-CZ 4.33Å; E541-F546 HydrophobicContact CB-CD1 3.66Å; E541-F546 HydrophobicContact CB-CD2 3.88Å; E541-F546 HydrophobicContact CB-CE1 3.51Å; E541-F546 HydrophobicContact CB-CE2 3.74Å; E541-F546 HydrophobicContact CB-CG 3.85Å; E541-F546 HydrophobicContact CB-CZ 3.57Å; E541-F546 HydrophobicContact CG-CE1 4.27Å; E541-F546 HydrophobicContact CG-CE2 3.99Å; E541-F546 HydrophobicContact CG-CZ 3.86Å; E541-F546 WeakPolarHBondContact O-CB 3.11Å; E541-F546 WeakPolarHBondContact O-CD1 3.41Å; E541-F546 WeakPolarHBondContact O-CG 3.39Å; I543-F546 HydrophobicContact CB-CB 4.15Å; I543-F546 WeakPolarHBondContact O-CB 3.21Å; I543-F546 PolarHBondContact O-N 3.14Å; P544-F546 VanDerWaalsContact C-N 3.34Å; F546-L548 PolarHBondContact O-N 3.01Å; F546-L548 VanDerWaalsContact O-N 3.15Å; F546-V549 HydrophobicContact CD2-CB 3.98Å; F546-V549 HydrophobicContact CD2-CG1 4.43Å; F546-V549 HydrophobicContact CD2-CG2 4.44Å; F546-V549 HydrophobicContact CE2-CB 4.22Å; F546-V549 HydrophobicContact CE2-CG1 4.3Å; F546-V549 CarbonylContact O-C 3.54Å; F546-V549 WeakPolarHBondContact O-CA 3.38Å; F546-V549 VanDerWaalsContact O-CB 3.31Å; F546-V549 WeakPolarHBondContact O-CB 3.39Å; F546-V549 PolarHBondContact O-N 2.97Å; F546-R550 HydrophobicContact CD1-CB 4.32Å; F546-R550 HydrophobicContact CE1-CB 3.89Å; F546-R550 HydrophobicContact CE1-CG 4.45Å; F546-R550 HydrophobicContact CZ-CB 4.29Å; F546-R550 PolarHBondContact O-N 3.2Å; F546-I553 HydrophobicContact CE2-CD1 4.45Å; F546-I553 HydrophobicContact CZ-CD1 4.49Å; F546-Y590 AromaticContact CD2-CE1 3.96Å; F546-Y590 HydrophobicContact CD2-CE1 3.96Å; F546-Y590 AromaticContact CD2-CZ 3.99Å; F546-Y590 HydrophobicContact CE2-CD1 4.04Å; F546-Y590 AromaticContact CE2-CE1 3.64Å; F546-Y590 HydrophobicContact CE2-CE1 3.64Å
547	E	86.8	Confident	86.7	Confident	74 Å²	74	46.8 Å²	46.8	35%	0.346	25%	0.247	S	C	.	.	H	α-helix	trans	-54.3	-35.1	175.7	175.7	54.4	-162	0	0	113.4	I538 K545 Q551	I538-E547 VanDerWaalsContact CD1-OE2 3.31Å; I538-E547 WeakPolarHBondContact CD1-OE2 3.35Å; K545-E547 PolarHBondContact O-N 3.31Å; E547-Q551 VanDerWaalsContact O-CG 3.28Å; E547-Q551 WeakPolarHBondContact O-CG 3.43Å; E547-Q551 PolarHBondContact O-N 3.05Å; E547-Q551 PolarHBondContact OE1-NE2 3.38Å
548	L	88.9	Confident	86.9	Confident	90 Å²	90	51 Å²	51	47%	0.471	27%	0.269	S	S	.	.	H	α-helix	trans	-70	-36.5	174	-179.9	62.5	0	0	0	111.8	K545 F546 N552	K545-L548 PolarHBondContact O-N 3.09Å; K545-L548 VanDerWaalsContact O-N 3.17Å; F546-L548 PolarHBondContact O-N 3.01Å; F546-L548 VanDerWaalsContact O-N 3.15Å; L548-N552 PolarHBondContact O-N 2.99Å; L548-N552 VanDerWaalsContact O-N 3.13Å; L548-N552 PolarHBondContact O-ND2 3.17Å
549	V	91.4	Very high	87.4	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.4	-46.3	174.9	-169.2	0	0	0	0	109.7	F546 Q551 N552 I553 Q561 I563 Y590 W592	F546-V549 HydrophobicContact CD2-CB 3.98Å; F546-V549 HydrophobicContact CD2-CG1 4.43Å; F546-V549 HydrophobicContact CD2-CG2 4.44Å; F546-V549 HydrophobicContact CE2-CB 4.22Å; F546-V549 HydrophobicContact CE2-CG1 4.3Å; F546-V549 CarbonylContact O-C 3.54Å; F546-V549 WeakPolarHBondContact O-CA 3.38Å; F546-V549 VanDerWaalsContact O-CB 3.31Å; F546-V549 WeakPolarHBondContact O-CB 3.39Å; F546-V549 PolarHBondContact O-N 2.97Å; V549-Q551 PolarHBondContact O-N 3.24Å; V549-N552 CarbonylContact O-C 3.36Å; V549-N552 PolarHBondContact O-N 3.48Å; V549-N552 VanDerWaalsContact O-N 3.1Å; V549-I553 HydrophobicContact CG1-CD1 3.87Å; V549-I553 HydrophobicContact CG1-CG1 4.3Å; V549-I553 VanDerWaalsContact O-CG1 3.27Å; V549-I553 WeakPolarHBondContact O-CG1 3.49Å; V549-I553 PolarHBondContact O-N 2.84Å; V549-Q561 HydrophobicContact CG1-CB 4.49Å; V549-Q561 HydrophobicContact CG2-CG 4.32Å; V549-I563 HydrophobicContact CG2-CD1 4.45Å; V549-I563 HydrophobicContact CG2-CG2 3.72Å; V549-Y590 HydrophobicContact CG1-CD1 4.27Å; V549-Y590 HydrophobicContact CG1-CD2 4.2Å; V549-Y590 HydrophobicContact CG1-CG 3.82Å; V549-W592 HydrophobicContact CG1-CZ3 4.32Å
550	R	91.8	Very high	88	Confident	42 Å²	42	52.3 Å²	52.3	16%	0.158	29%	0.286	C	S	.	.	H	α-helix	trans	-56.1	-46	174.6	-175.9	-176.3	170.6	-68.3	-13.7	112	K513 D536 I537 F546 N552 I553 L554	K513-R550 PolarHBondContact O-NH2 2.91Å; D536-R550 IonicContact OD1-CZ 2.71Å; D536-R550 IonicContact OD1-NE 2.63Å; D536-R550 PolarHBondContact OD1-NE 2.95Å; D536-R550 IonicContact OD1-NH2 3.22Å; D536-R550 IonicContact OD2-CZ 2.69Å; D536-R550 IonicContact OD2-NE 3.35Å; D536-R550 PolarHBondContact OD2-NE 2.97Å; D536-R550 IonicContact OD2-NH2 3.71Å; D536-R550 PolarHBondContact OD2-NH2 3.38Å; I537-R550 HydrophobicContact CG2-CG 4.12Å; F546-R550 HydrophobicContact CD1-CB 4.32Å; F546-R550 HydrophobicContact CE1-CB 3.89Å; F546-R550 HydrophobicContact CE1-CG 4.45Å; F546-R550 HydrophobicContact CZ-CB 4.29Å; F546-R550 PolarHBondContact O-N 3.2Å; R550-N552 VanDerWaalsContact C-N 3.31Å; R550-N552 PolarHBondContact O-N 3.47Å; R550-I553 PolarHBondContact O-N 2.63Å; R550-L554 HydrophobicContact CG-CD1 4.16Å; R550-L554 WeakPolarHBondContact O-CG 3.26Å; R550-L554 PolarHBondContact O-N 2.75Å
551	Q	91.1	Very high	88.5	Confident	97 Å²	97	53.9 Å²	53.9	45%	0.453	29%	0.294	S	S	.	.	H	α-helix	trans	-60.9	-38.5	175.5	-73.8	173.6	19.4	0	0	112.4	E547 V549 S555	E547-Q551 VanDerWaalsContact O-CG 3.28Å; E547-Q551 WeakPolarHBondContact O-CG 3.43Å; E547-Q551 PolarHBondContact O-N 3.05Å; E547-Q551 PolarHBondContact OE1-NE2 3.38Å; V549-Q551 PolarHBondContact O-N 3.24Å; Q551-S555 WeakPolarHBondContact O-CB 3.43Å; Q551-S555 PolarHBondContact O-N 2.99Å; Q551-S555 PolarHBondContact O-OG 2.76Å
552	N	93	Very high	88.8	Confident	45 Å²	45	58 Å²	58	24%	0.241	32%	0.315	C	S	.	.	H	α-helix	trans	-73.1	-37.5	175.8	-71.3	-26	0	0	0	112.6	L548 V549 R550 S555 L556 Q561 W592	L548-N552 PolarHBondContact O-N 2.99Å; L548-N552 VanDerWaalsContact O-N 3.13Å; L548-N552 PolarHBondContact O-ND2 3.17Å; V549-N552 CarbonylContact O-C 3.36Å; V549-N552 PolarHBondContact O-N 3.48Å; V549-N552 VanDerWaalsContact O-N 3.1Å; R550-N552 VanDerWaalsContact C-N 3.31Å; R550-N552 PolarHBondContact O-N 3.47Å; N552-S555 PolarHBondContact O-N 3.24Å; N552-L556 HydrophobicContact CB-CD1 4.46Å; N552-L556 WeakPolarHBondContact O-CB 3.09Å; N552-L556 PolarHBondContact O-N 2.86Å; N552-Q561 PolarHBondContact ND2-OE1 2.94Å; N552-W592 HydrophobicContact CB-CH2 3.82Å; N552-W592 HydrophobicContact CB-CZ2 3.74Å
553	I	94.3	Very high	89.4	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-58.7	-47.5	173.8	-70.8	166.7	0	0	0	110.6	F508 I510 F546 V549 R550 S555 W592 I601	F508-I553 HydrophobicContact CZ-CD1 4.35Å; I510-I553 HydrophobicContact CD1-CG2 3.66Å; F546-I553 HydrophobicContact CE2-CD1 4.45Å; F546-I553 HydrophobicContact CZ-CD1 4.49Å; V549-I553 HydrophobicContact CG1-CD1 3.87Å; V549-I553 HydrophobicContact CG1-CG1 4.3Å; V549-I553 VanDerWaalsContact O-CG1 3.27Å; V549-I553 WeakPolarHBondContact O-CG1 3.49Å; V549-I553 PolarHBondContact O-N 2.84Å; R550-I553 PolarHBondContact O-N 2.63Å; I553-S555 VanDerWaalsContact C-N 3.33Å; I553-S555 PolarHBondContact O-N 2.77Å; I553-W592 HydrophobicContact CB-CD2 4.42Å; I553-W592 HydrophobicContact CB-CG 4.32Å; I553-W592 HydrophobicContact CG1-CB 4.11Å; I553-W592 HydrophobicContact CG1-CD2 3.57Å; I553-W592 HydrophobicContact CG1-CE3 3.75Å; I553-W592 HydrophobicContact CG1-CG 3.73Å; I553-W592 HydrophobicContact CG1-CZ3 4.38Å; I553-W592 HydrophobicContact CG2-CG 4.43Å; I553-I601 HydrophobicContact CG2-CD1 4.42Å; I553-I601 HydrophobicContact CG2-CG2 3.88Å
554	L	91.6	Very high	89.8	Confident	52 Å²	52	58.6 Å²	58.6	27%	0.272	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-7.9	-177	-63.5	177.4	0	0	0	114.4	I510 R550 I601	I510-L554 HydrophobicContact CD1-CD2 4.01Å; R550-L554 HydrophobicContact CG-CD1 4.16Å; R550-L554 WeakPolarHBondContact O-CG 3.26Å; R550-L554 PolarHBondContact O-N 2.75Å; L554-I601 HydrophobicContact CD2-CD1 4.06Å
555	S	90.2	Very high	89.8	Confident	81 Å²	81	55.1 Å²	55.1	57%	0.566	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	-17.7	-179.4	60.8	0	0	0	0	115	Q551 N552 I553	Q551-S555 WeakPolarHBondContact O-CB 3.43Å; Q551-S555 PolarHBondContact O-N 2.99Å; Q551-S555 PolarHBondContact O-OG 2.76Å; N552-S555 PolarHBondContact O-N 3.24Å; I553-S555 VanDerWaalsContact C-N 3.33Å; I553-S555 PolarHBondContact O-N 2.77Å
556	L	91.7	Very high	89.4	Confident	83 Å²	83	50.8 Å²	50.8	44%	0.435	29%	0.29	S	S	.	.			trans	-120.5	121.1	-178.6	-58.2	176.7	0	0	0	110.5	N552 L558 W592	N552-L556 HydrophobicContact CB-CD1 4.46Å; N552-L556 WeakPolarHBondContact O-CB 3.09Å; N552-L556 PolarHBondContact O-N 2.86Å; L556-L558 PolarHBondContact O-N 3.01Å; L556-L558 VanDerWaalsContact O-N 3.12Å; L556-W592 HydrophobicContact CB-CZ2 4.47Å; L556-W592 HydrophobicContact CD1-CZ2 4.44Å; L556-W592 PolarHBondContact O-NE1 2.8Å
557	P	90.6	Very high	88.3	Confident	88 Å²	88	52.2 Å²	52.2	57%	0.571	30%	0.298	S	S	*	.	S	Bend	trans	-71.4	-8.8	-174.1	29.8	-36.9	0	0	0	114.4	K593 M594	P557-K593 WeakPolarHBondContact O-CA 3.37Å; P557-M594 HydrophobicContact CB-CB 3.99Å; P557-M594 HydrophobicContact CB-SD 4.26Å; P557-M594 WeakPolarHBondContact O-CB 3.38Å; P557-M594 PolarHBondContact O-N 3.48Å
558	L	94.2	Very high	87	Confident	90 Å²	90	56.2 Å²	56.2	47%	0.471	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	134.9	172.6	175.4	64.4	0	0	0	107.6	Q86 L556 W592 K593	Q86-L558 HydrophobicContact CG-CD1 4.38Å; L556-L558 PolarHBondContact O-N 3.01Å; L556-L558 VanDerWaalsContact O-N 3.12Å; L558-W592 WeakPolarHBondContact CA-O 3.4Å; L558-W592 WeakPolarHBondContact CD1-O 3.39Å; L558-K593 HydrophobicContact CD1-CB 4Å; L558-K593 HydrophobicContact CD1-CD 4.17Å; L558-K593 HydrophobicContact CD1-CG 4.13Å
559	G	93.7	Very high	85.6	Confident	21 Å²	21	52.7 Å²	52.7	22%	0.216	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.8	172.7	174.8	0	0	0	0	0	113.6	W592	G559-W592 PolarHBondContact N-O 2.68Å; G559-W592 VanDerWaalsContact N-O 3.09Å; G559-W592 PolarHBondContact O-N 2.95Å
560	S	93.3	Very high	83.8	Confident	56 Å²	56	53.4 Å²	53.4	39%	0.392	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	148.6	169.6	62.7	0	0	0	0	110.5	E82 Y590	E82-S560 WeakPolarHBondContact OE1-CB 3.39Å; E82-S560 PolarHBondContact OE1-OG 3.47Å; S560-Y590 CarbonylContact C-O 3.55Å; S560-Y590 WeakPolarHBondContact CA-O 3.35Å
561	Q	92.2	Very high	82	Confident	38 Å²	38	51.6 Å²	51.6	18%	0.178	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	130.2	177.2	-173.3	171	-5.8	0	0	110.5	V549 N552 Y590 W592	V549-Q561 HydrophobicContact CG1-CB 4.49Å; V549-Q561 HydrophobicContact CG2-CG 4.32Å; N552-Q561 PolarHBondContact ND2-OE1 2.94Å; Q561-Y590 PolarHBondContact N-O 2.83Å; Q561-Y590 PolarHBondContact O-N 3.04Å; Q561-W592 HydrophobicContact CB-CH2 3.97Å; Q561-W592 HydrophobicContact CB-CZ3 3.75Å
562	I	89.8	Confident	79.9	Confident	89 Å²	89	48.9 Å²	48.9	46%	0.456	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	131.1	175	-57.2	174.6	0	0	0	108.8	N587 V588	I562-N587 HydrophobicContact CG2-CB 3.89Å; I562-V588 WeakPolarHBondContact CA-O 3.16Å
563	I	88.4	Confident	77.9	Confident	7 Å²	7	47.6 Å²	47.6	4%	0.036	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	141.6	169.8	57.3	168.5	0	0	0	110.7	I543 V549 V565 V588 Y590	I543-I563 HydrophobicContact CG2-CD1 3.89Å; V549-I563 HydrophobicContact CG2-CD1 4.45Å; V549-I563 HydrophobicContact CG2-CG2 3.72Å; I563-V565 HydrophobicContact CD1-CG2 3.92Å; I563-V565 HydrophobicContact CG1-CG2 3.84Å; I563-V588 HydrophobicContact CG1-CB 4.4Å; I563-V588 PolarHBondContact N-O 2.83Å; I563-V588 PolarHBondContact O-N 2.79Å; I563-Y590 HydrophobicContact CD1-CD2 4.48Å; I563-Y590 HydrophobicContact CD1-CE2 3.74Å; I563-Y590 HydrophobicContact CG1-CD2 4.25Å; I563-Y590 HydrophobicContact CG1-CE2 3.83Å
564	A	85.1	Confident	76	Confident	52 Å²	52	48 Å²	48	43%	0.43	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	121.3	172.9	0	0	0	0	0	109.3
565	V	77.6	Confident	74	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120	-166.6	176	0	0	0	0	110.1	I543 I563 S569 L571 I575 A585 Y586 V588	I543-V565 HydrophobicContact CG2-CB 4.5Å; I543-V565 HydrophobicContact CG2-CG1 4Å; I543-V565 HydrophobicContact CG2-CG2 3.74Å; I563-V565 HydrophobicContact CD1-CG2 3.92Å; I563-V565 HydrophobicContact CG1-CG2 3.84Å; V565-S569 WeakPolarHBondContact CG1-OG 3.24Å; V565-L571 HydrophobicContact CG1-CD1 4.34Å; V565-I575 HydrophobicContact CG1-CD1 4.17Å; V565-A585 CarbonylContact O-C 3.59Å; V565-A585 VanDerWaalsContact O-CA 3.23Å; V565-A585 WeakPolarHBondContact O-CA 3.16Å; V565-A585 WeakPolarHBondContact O-CB 3.43Å; V565-Y586 PolarHBondContact N-O 3Å; V565-Y586 PolarHBondContact O-N 2.93Å; V565-V588 HydrophobicContact CB-CG2 4Å; V565-V588 HydrophobicContact CG2-CB 4.05Å; V565-V588 HydrophobicContact CG2-CG2 3.64Å
566	P	74.5	Confident	72	Confident	58 Å²	58	43.1 Å²	43.1	38%	0.377	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	146.7	177.6	-21.4	33	0	0	0	112.6	N568 S569	P566-N568 PolarHBondContact O-N 3Å; P566-S569 VanDerWaalsContact O-CB 3.23Å; P566-S569 WeakPolarHBondContact O-CB 3.39Å; P566-S569 PolarHBondContact O-N 3.46Å; P566-S569 VanDerWaalsContact O-N 3.1Å; P566-S569 PolarHBondContact O-OG 2.84Å
567	V	65.1	Low	70.1	Confident	31 Å²	31	42 Å²	42	19%	0.188	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-29.6	-179.9	-169.3	0	0	0	0	112.8	S569 I575 K583 E584 Y586	V567-S569 PolarHBondContact O-N 3.25Å; V567-I575 HydrophobicContact CG1-CG2 4.48Å; V567-K583 WeakPolarHBondContact CG2-O 3.32Å; V567-E584 WeakPolarHBondContact CG2-O 3.06Å; V567-E584 PolarHBondContact N-O 3.21Å; V567-E584 VanDerWaalsContact N-O 3.13Å; V567-Y586 HydrophobicContact CB-CE2 4.46Å; V567-Y586 HydrophobicContact CG1-CE2 4.29Å; V567-Y586 HydrophobicContact CG2-CD2 3.91Å; V567-Y586 HydrophobicContact CG2-CE2 3.55Å
568	N	58.8	Low	68.2	Low	158 Å²	158	38.9 Å²	38.9	85%	0.845	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	8.1	179.3	-68.3	-22.1	0	0	0	114.3	P566	P566-N568 PolarHBondContact O-N 3Å
569	S	59.7	Low	66.1	Low	17 Å²	17	40.5 Å²	40.5	12%	0.119	23%	0.227	C	C	.	.	S	Bend	trans	-88.9	176.3	-177.2	69.1	0	0	0	0	113.8	V565 P566 V567 L571 S572	V565-S569 WeakPolarHBondContact CG1-OG 3.24Å; P566-S569 VanDerWaalsContact O-CB 3.23Å; P566-S569 WeakPolarHBondContact O-CB 3.39Å; P566-S569 PolarHBondContact O-N 3.46Å; P566-S569 VanDerWaalsContact O-N 3.1Å; P566-S569 PolarHBondContact O-OG 2.84Å; V567-S569 PolarHBondContact O-N 3.25Å; S569-L571 VanDerWaalsContact C-N 3.3Å; S569-L571 PolarHBondContact O-N 2.97Å; S569-S572 WeakPolarHBondContact O-CB 3.2Å; S569-S572 PolarHBondContact O-N 3.04Å; S569-S572 VanDerWaalsContact O-N 3.13Å; S569-S572 PolarHBondContact O-OG 2.89Å
570	S	53.1	Low	64	Low	15 Å²	15	43.1 Å²	43.1	11%	0.105	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-33.2	-174.3	56.7	0	0	0	0	114.6	N542 I543 S572 W573	N542-S570 VanDerWaalsContact C-OG 3.27Å; N542-S570 VanDerWaalsContact O-CB 3.26Å; N542-S570 WeakPolarHBondContact O-CB 3.29Å; N542-S570 PolarHBondContact O-OG 3.43Å; I543-S570 WeakPolarHBondContact CG1-OG 3.41Å; S570-S572 PolarHBondContact O-N 3.44Å; S570-W573 VanDerWaalsContact O-CD1 3.24Å
571	L	53.3	Low	61.9	Low	4 Å²	4	46.9 Å²	46.9	2%	0.021	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-0.8	176	-82.5	176.7	0	0	0	114.8	Y506 I543 V565 S569 W573 H574 I575 V588	Y506-L571 HydrophobicContact CE1-CD2 4.35Å; Y506-L571 WeakPolarHBondContact OH-CD2 3.38Å; I543-L571 HydrophobicContact CD1-CD1 3.43Å; I543-L571 VanDerWaalsContact CD1-CD1 3.43Å; I543-L571 HydrophobicContact CD1-CD2 4.16Å; I543-L571 HydrophobicContact CD1-CG 3.52Å; I543-L571 HydrophobicContact CG1-CD1 4.07Å; I543-L571 HydrophobicContact CG1-CG 3.89Å; V565-L571 HydrophobicContact CG1-CD1 4.34Å; S569-L571 VanDerWaalsContact C-N 3.3Å; S569-L571 PolarHBondContact O-N 2.97Å; L571-W573 PolarHBondContact O-N 2.03Å; L571-H574 PolarHBondContact O-N 2.76Å; L571-I575 HydrophobicContact CB-CD1 3.54Å; L571-I575 HydrophobicContact CB-CG1 4.05Å; L571-I575 WeakPolarHBondContact O-CG1 3.31Å; L571-I575 PolarHBondContact O-N 3.26Å; L571-V588 HydrophobicContact CD1-CG1 4.19Å; L571-V588 HydrophobicContact CD1-CG2 3.92Å
572	S	47.4	Very low	60	Low	40 Å²	40	49 Å²	49	28%	0.28	29%	0.286	S	S	.	.	H	α-helix	trans	-45.2	-33.7	175.3	62.3	0	0	0	0	114.6	S569 S570 H574 I575 N576	S569-S572 WeakPolarHBondContact O-CB 3.2Å; S569-S572 PolarHBondContact O-N 3.04Å; S569-S572 VanDerWaalsContact O-N 3.13Å; S569-S572 PolarHBondContact O-OG 2.89Å; S570-S572 PolarHBondContact O-N 3.44Å; S572-H574 VanDerWaalsContact C-N 3.35Å; S572-H574 PolarHBondContact O-N 3.27Å; S572-I575 PolarHBondContact O-N 2.72Å; S572-N576 WeakPolarHBondContact O-CB 3.37Å; S572-N576 PolarHBondContact O-N 3.46Å; S572-N576 PolarHBondContact O-ND2 2.91Å
573	W	51.8	Low	58.7	Low	17 Å²	17	49 Å²	49	6%	0.064	28%	0.283	C	S	.	.	H	α-helix	trans	-65.6	-31.2	176.6	66.1	-84	0	0	0	114.3	H519 P520 S521 S570 L571 E997 V998	H519-W573 AromaticContact CE1-CZ2 3.91Å; P520-W573 HydrophobicContact CB-CH2 4.11Å; S521-W573 VanDerWaalsContact OG-CH2 3.27Å; S521-W573 WeakPolarHBondContact OG-CH2 3.29Å; S521-W573 WeakPolarHBondContact OG-CZ2 3.46Å; S570-W573 VanDerWaalsContact O-CD1 3.24Å; L571-W573 PolarHBondContact O-N 2.03Å; W573-E997 HydrophobicContact CB-CG 3.63Å; W573-V998 HydrophobicContact CZ3-CG2 4.4Å
574	H	53.4	Low	57.7	Low	11 Å²	11	57.1 Å²	57.1	5%	0.051	32%	0.321	C	S	.	.	H	α-helix	trans	-86.8	-44.5	168.6	-88.4	125	0	0	0	111.9	Y506 L571 S572 N576 K577 I607	Y506-H574 AromaticContact CD1-CE1 3.25Å; Y506-H574 WeakPolarHBondContact CD1-CE1 3.3Å; Y506-H574 AromaticContact CD1-ND1 3.51Å; Y506-H574 AromaticContact CD1-NE2 3.75Å; Y506-H574 AromaticContact CE1-CE1 3.66Å; Y506-H574 AromaticContact CE1-ND1 3.45Å; Y506-H574 WeakPolarHBondContact CE1-ND1 3.27Å; Y506-H574 AromaticContact CG-CE1 3.6Å; L571-H574 PolarHBondContact O-N 2.76Å; S572-H574 VanDerWaalsContact C-N 3.35Å; S572-H574 PolarHBondContact O-N 3.27Å; H574-N576 VanDerWaalsContact C-N 3.31Å; H574-N576 PolarHBondContact O-N 3.41Å; H574-K577 WeakPolarHBondContact O-CB 3.49Å; H574-K577 WeakPolarHBondContact O-CG 3.34Å; H574-K577 PolarHBondContact O-N 3.05Å; H574-I607 HydrophobicContact CB-CD1 3.85Å
575	I	49.8	Very low	57.1	Low	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-65.6	-29.5	-175.9	-67.4	170.7	0	0	0	112.3	V565 V567 L571 S572 K577 L578 R579 Y586 I607	V565-I575 HydrophobicContact CG1-CD1 4.17Å; V567-I575 HydrophobicContact CG1-CG2 4.48Å; L571-I575 HydrophobicContact CB-CD1 3.54Å; L571-I575 HydrophobicContact CB-CG1 4.05Å; L571-I575 WeakPolarHBondContact O-CG1 3.31Å; L571-I575 PolarHBondContact O-N 3.26Å; S572-I575 PolarHBondContact O-N 2.72Å; I575-K577 PolarHBondContact O-N 3.43Å; I575-K577 VanDerWaalsContact O-N 3.16Å; I575-L578 CarbonylContact O-C 3.53Å; I575-L578 PolarHBondContact O-N 3.42Å; I575-R579 PolarHBondContact O-N 3.1Å; I575-Y586 HydrophobicContact CG2-CD2 3.58Å; I575-Y586 HydrophobicContact CG2-CE2 3.56Å; I575-Y586 HydrophobicContact CG2-CG 4.32Å; I575-I607 HydrophobicContact CG1-CD1 3.9Å
576	N	49.1	Very low	57	Low	31 Å²	31	57.3 Å²	57.3	17%	0.166	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-55.4	-32.6	174.8	-81	-29.6	0	0	0	112.2	S572 H574 L578	S572-N576 WeakPolarHBondContact O-CB 3.37Å; S572-N576 PolarHBondContact O-N 3.46Å; S572-N576 PolarHBondContact O-ND2 2.91Å; H574-N576 VanDerWaalsContact C-N 3.31Å; H574-N576 PolarHBondContact O-N 3.41Å; N576-L578 PolarHBondContact O-N 3.24Å
577	K	50.9	Low	57.4	Low	58 Å²	58	58.1 Å²	58.1	25%	0.252	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-68.1	-11.9	178.4	-53	176.7	-176	172.6	0	113.5	H574 I575 V764	H574-K577 WeakPolarHBondContact O-CB 3.49Å; H574-K577 WeakPolarHBondContact O-CG 3.34Å; H574-K577 PolarHBondContact O-N 3.05Å; I575-K577 PolarHBondContact O-N 3.43Å; I575-K577 VanDerWaalsContact O-N 3.16Å; K577-V764 HydrophobicContact CB-CG1 4.46Å; K577-V764 HydrophobicContact CD-CG1 4.21Å; K577-V764 HydrophobicContact CG-CG1 4.15Å
578	L	50.5	Low	58.4	Low	24 Å²	24	56.7 Å²	56.7	13%	0.126	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-129.1	15	-171.7	-53.8	173.8	0	0	0	112.3	A504 I575 N576 E580 I607 I611	A504-L578 HydrophobicContact CB-CD1 3.58Å; A504-L578 HydrophobicContact CB-CD2 3.92Å; A504-L578 HydrophobicContact CB-CG 4.35Å; I575-L578 CarbonylContact O-C 3.53Å; I575-L578 PolarHBondContact O-N 3.42Å; N576-L578 PolarHBondContact O-N 3.24Å; L578-E580 PolarHBondContact O-N 3.42Å; L578-I607 HydrophobicContact CD1-CB 3.73Å; L578-I607 HydrophobicContact CD1-CD1 3.91Å; L578-I607 HydrophobicContact CD1-CG1 4.42Å; L578-I607 HydrophobicContact CD1-CG2 3.69Å; L578-I611 HydrophobicContact CD2-CD1 3.82Å
579	R	50.8	Low	59.9	Low	124 Å²	124	49.9 Å²	49.9	47%	0.468	28%	0.278	S	S	.	.			trans	-76.5	80.5	-161.8	-158	-172.3	83.9	169.5	6.9	113.5	I575 T581	I575-R579 PolarHBondContact O-N 3.1Å; R579-T581 PolarHBondContact O-N 2.92Å
580	E	50.2	Low	61.4	Low	76 Å²	76	49.1 Å²	49.1	36%	0.355	27%	0.272	S	S	.	.			trans	-59.9	130.1	166.3	-70.9	-179.4	176.2	0	0	110.8	L578 G582 K583 Y586	L578-E580 PolarHBondContact O-N 3.42Å; E580-G582 PolarHBondContact O-N 2.96Å; E580-K583 WeakPolarHBondContact OE2-CE 3.44Å; E580-K583 IonicContact OE2-NZ 3.76Å; E580-K583 PolarHBondContact OE2-NZ 2.88Å; E580-Y586 PolarHBondContact N-OH 3.44Å; E580-Y586 PolarHBondContact O-OH 3.09Å
581	T	48.7	Very low	63.4	Low	135 Å²	135	48.4 Å²	48.4	83%	0.828	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	109.8	178.9	47.5	0	0	0	0	110.8	R579	R579-T581 PolarHBondContact O-N 2.92Å
582	G	52.5	Low	65.4	Low	81 Å²	81	48.4 Å²	48.4	84%	0.835	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	124.5	-2.2	172	0	0	0	0	0	116.3	E580	E580-G582 PolarHBondContact O-N 2.96Å
583	K	61.9	Low	67.7	Low	91 Å²	91	48.4 Å²	48.4	40%	0.396	26%	0.262	S	S	.	.			trans	-91.8	134.3	172.6	-74.9	175.2	173.4	167.9	0	111.3	V567 E580 Y586	V567-K583 WeakPolarHBondContact CG2-O 3.32Å; E580-K583 WeakPolarHBondContact OE2-CE 3.44Å; E580-K583 IonicContact OE2-NZ 3.76Å; E580-K583 PolarHBondContact OE2-NZ 2.88Å; K583-Y586 HydrophobicContact CD-CE1 4.14Å
584	E	66.5	Low	69.8	Low	177 Å²	177	51 Å²	51	83%	0.827	28%	0.276	S	S	*	.	S	Bend	trans	-90.9	-19.7	178.1	-61	-172.6	149.3	0	0	113.7	V567	V567-E584 WeakPolarHBondContact CG2-O 3.06Å; V567-E584 PolarHBondContact N-O 3.21Å; V567-E584 VanDerWaalsContact N-O 3.13Å
585	A	72.5	Confident	71.7	Confident	47 Å²	47	50.6 Å²	50.6	39%	0.388	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	156.3	175.7	0	0	0	0	0	111.6	V565	V565-A585 CarbonylContact O-C 3.59Å; V565-A585 VanDerWaalsContact O-CA 3.23Å; V565-A585 WeakPolarHBondContact O-CA 3.16Å; V565-A585 WeakPolarHBondContact O-CB 3.43Å
586	Y	75.4	Confident	73.6	Confident	9 Å²	9	55.6 Å²	55.6	4%	0.035	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	148.1	171.6	-67.2	-90.9	0	0	0	109.5	V565 V567 I575 E580 K583 I607	V565-Y586 PolarHBondContact N-O 3Å; V565-Y586 PolarHBondContact O-N 2.93Å; V567-Y586 HydrophobicContact CB-CE2 4.46Å; V567-Y586 HydrophobicContact CG1-CE2 4.29Å; V567-Y586 HydrophobicContact CG2-CD2 3.91Å; V567-Y586 HydrophobicContact CG2-CE2 3.55Å; I575-Y586 HydrophobicContact CG2-CD2 3.58Å; I575-Y586 HydrophobicContact CG2-CE2 3.56Å; I575-Y586 HydrophobicContact CG2-CG 4.32Å; E580-Y586 PolarHBondContact N-OH 3.44Å; E580-Y586 PolarHBondContact O-OH 3.09Å; K583-Y586 HydrophobicContact CD-CE1 4.14Å; Y586-I607 HydrophobicContact CD1-CG2 4.47Å
587	N	84.7	Confident	75.4	Confident	75 Å²	75	58.7 Å²	58.7	40%	0.401	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	132.9	170.1	-76.2	-5.1	0	0	0	108.9	I562 Q608	I562-N587 HydrophobicContact CG2-CB 3.89Å; N587-Q608 HydrophobicContact CB-CB 4.03Å; N587-Q608 PolarHBondContact O-N 2.82Å
588	V	86.1	Confident	77.2	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	120.2	177	-175.8	0	0	0	0	108.1	I562 I563 V565 L571 Y590 V605 I607	I562-V588 WeakPolarHBondContact CA-O 3.16Å; I563-V588 HydrophobicContact CG1-CB 4.4Å; I563-V588 PolarHBondContact N-O 2.83Å; I563-V588 PolarHBondContact O-N 2.79Å; V565-V588 HydrophobicContact CB-CG2 4Å; V565-V588 HydrophobicContact CG2-CB 4.05Å; V565-V588 HydrophobicContact CG2-CG2 3.64Å; L571-V588 HydrophobicContact CD1-CG1 4.19Å; L571-V588 HydrophobicContact CD1-CG2 3.92Å; V588-Y590 HydrophobicContact CB-CE2 4.2Å; V588-Y590 HydrophobicContact CG1-CD2 4.22Å; V588-Y590 HydrophobicContact CG1-CE2 3.56Å; V588-V605 HydrophobicContact CG1-CG1 3.39Å; V588-I607 HydrophobicContact CG2-CG1 4.38Å
589	S	88.9	Confident	79	Confident	16 Å²	16	57.2 Å²	57.2	11%	0.112	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	122.8	178.8	-168.5	0	0	0	0	109.8	V605 V606	S589-V605 WeakPolarHBondContact O-CA 3.37Å; S589-V606 PolarHBondContact N-O 2.69Å; S589-V606 PolarHBondContact O-N 2.95Å
590	Y	92.1	Very high	81	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.8	169.5	-68.5	-99.6	0	0	0	107.7	F508 E541 I543 F546 V549 S560 Q561 I563 V588 V605	F508-Y590 HydrophobicContact CE1-CD1 4.39Å; F508-Y590 HydrophobicContact CE1-CE1 4.26Å; E541-Y590 PolarHBondContact OE2-OH 3.14Å; I543-Y590 WeakPolarHBondContact CD1-OH 3.39Å; F546-Y590 AromaticContact CD2-CE1 3.96Å; F546-Y590 HydrophobicContact CD2-CE1 3.96Å; F546-Y590 AromaticContact CD2-CZ 3.99Å; F546-Y590 HydrophobicContact CE2-CD1 4.04Å; F546-Y590 AromaticContact CE2-CE1 3.64Å; F546-Y590 HydrophobicContact CE2-CE1 3.64Å; V549-Y590 HydrophobicContact CG1-CD1 4.27Å; V549-Y590 HydrophobicContact CG1-CD2 4.2Å; V549-Y590 HydrophobicContact CG1-CG 3.82Å; S560-Y590 CarbonylContact C-O 3.55Å; S560-Y590 WeakPolarHBondContact CA-O 3.35Å; Q561-Y590 PolarHBondContact N-O 2.83Å; Q561-Y590 PolarHBondContact O-N 3.04Å; I563-Y590 HydrophobicContact CD1-CD2 4.48Å; I563-Y590 HydrophobicContact CD1-CE2 3.74Å; I563-Y590 HydrophobicContact CG1-CD2 4.25Å; I563-Y590 HydrophobicContact CG1-CE2 3.83Å; V588-Y590 HydrophobicContact CB-CE2 4.2Å; V588-Y590 HydrophobicContact CG1-CD2 4.22Å; V588-Y590 HydrophobicContact CG1-CE2 3.56Å; Y590-V605 HydrophobicContact CD1-CG1 4.24Å; Y590-V605 HydrophobicContact CD1-CG2 3.64Å; Y590-V605 HydrophobicContact CE1-CB 4.35Å; Y590-V605 HydrophobicContact CE1-CG1 3.86Å; Y590-V605 HydrophobicContact CE1-CG2 3.53Å; Y590-V605 HydrophobicContact CE2-CG1 4.26Å
591	A	94.1	Very high	83.2	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.008	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.1	170.1	0	0	0	0	0	108.6	E82 V85 C603 I604	E82-A591 HydrophobicContact CG-CB 4.26Å; V85-A591 HydrophobicContact CG1-CB 4.06Å; A591-C603 CarbonylContact O-C 3.46Å; A591-C603 WeakPolarHBondContact O-CA 3.33Å; A591-C603 PolarHBondContact O-SG 3.05Å; A591-I604 PolarHBondContact N-O 2.89Å; A591-I604 PolarHBondContact O-N 3.48Å
592	W	96	Very high	85.5	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.015	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	152.9	-175.3	68.2	91.9	0	0	0	112.9	V549 N552 I553 L556 L558 G559 Q561 I601 L602 C603	V549-W592 HydrophobicContact CG1-CZ3 4.32Å; N552-W592 HydrophobicContact CB-CH2 3.82Å; N552-W592 HydrophobicContact CB-CZ2 3.74Å; I553-W592 HydrophobicContact CB-CD2 4.42Å; I553-W592 HydrophobicContact CB-CG 4.32Å; I553-W592 HydrophobicContact CG1-CB 4.11Å; I553-W592 HydrophobicContact CG1-CD2 3.57Å; I553-W592 HydrophobicContact CG1-CE3 3.75Å; I553-W592 HydrophobicContact CG1-CG 3.73Å; I553-W592 HydrophobicContact CG1-CZ3 4.38Å; I553-W592 HydrophobicContact CG2-CG 4.43Å; L556-W592 HydrophobicContact CB-CZ2 4.47Å; L556-W592 HydrophobicContact CD1-CZ2 4.44Å; L556-W592 PolarHBondContact O-NE1 2.8Å; L558-W592 WeakPolarHBondContact CA-O 3.4Å; L558-W592 WeakPolarHBondContact CD1-O 3.39Å; G559-W592 PolarHBondContact N-O 2.68Å; G559-W592 VanDerWaalsContact N-O 3.09Å; G559-W592 PolarHBondContact O-N 2.95Å; Q561-W592 HydrophobicContact CB-CH2 3.97Å; Q561-W592 HydrophobicContact CB-CZ3 3.75Å; W592-I601 HydrophobicContact CB-CG2 4.34Å; W592-L602 CarbonylContact C-O 3.59Å; W592-L602 VanDerWaalsContact CA-O 3.23Å; W592-L602 WeakPolarHBondContact CA-O 3.48Å; W592-C603 HydrophobicContact CB-CB 4.18Å
593	K	95.7	Very high	87.5	Confident	40 Å²	40	38 Å²	38	17%	0.174	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	129.5	177.4	-178.1	170.7	174.3	-178.1	0	111.1	V85 Q86 A89 P557 L558 V595 L602	V85-K593 HydrophobicContact CG1-CB 4.46Å; V85-K593 HydrophobicContact CG2-CB 4.17Å; Q86-K593 HydrophobicContact CB-CD 4.46Å; Q86-K593 HydrophobicContact CG-CD 3.94Å; Q86-K593 PolarHBondContact O-NZ 3.37Å; A89-K593 HydrophobicContact CB-CB 4.33Å; A89-K593 HydrophobicContact CB-CD 3.88Å; A89-K593 HydrophobicContact CB-CG 4.14Å; P557-K593 WeakPolarHBondContact O-CA 3.37Å; L558-K593 HydrophobicContact CD1-CB 4Å; L558-K593 HydrophobicContact CD1-CD 4.17Å; L558-K593 HydrophobicContact CD1-CG 4.13Å; K593-V595 PolarHBondContact O-N 3.32Å; K593-L602 PolarHBondContact N-O 3.19Å; K593-L602 PolarHBondContact O-N 2.66Å
594	M	94.9	Very high	88.9	Confident	72 Å²	72	33.6 Å²	33.6	36%	0.355	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	128.7	168.2	-167.4	-177	-170.6	0	0	109.6	P557 Q596 I601	P557-M594 HydrophobicContact CB-CB 3.99Å; P557-M594 HydrophobicContact CB-SD 4.26Å; P557-M594 WeakPolarHBondContact O-CB 3.38Å; P557-M594 PolarHBondContact O-N 3.48Å; M594-Q596 PolarHBondContact O-N 2.97Å; M594-I601 HydrophobicContact CB-CG1 4.43Å; M594-I601 HydrophobicContact CG-CG1 4.33Å
595	V	93.8	Very high	90	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	14%	0.138	C	C	.	.			trans	-75.8	107.8	174.7	178.3	0	0	0	0	107	A89 I92 R93 F96 K593 T598 F600 L602	A89-V595 HydrophobicContact CB-CG2 4.3Å; I92-V595 HydrophobicContact CG2-CG1 4.17Å; I92-V595 HydrophobicContact CG2-CG2 4.14Å; R93-V595 HydrophobicContact CB-CG1 3.91Å; F96-V595 HydrophobicContact CD2-CG1 4.28Å; K593-V595 PolarHBondContact O-N 3.32Å; V595-T598 WeakPolarHBondContact CB-OG1 3.46Å; V595-T598 HydrophobicContact CG1-CG2 4.08Å; V595-T598 PolarHBondContact O-N 3.09Å; V595-T598 PolarHBondContact O-OG1 3Å; V595-F600 PolarHBondContact N-O 3.09Å; V595-L602 HydrophobicContact CG2-CB 4.36Å
596	Q	89.3	Confident	90.6	Very high	106 Å²	106	23.3 Å²	23.3	50%	0.495	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	150.7	-179.7	-59.7	174.6	-47.3	0	0	111.2	M594 T598	M594-Q596 PolarHBondContact O-N 2.97Å; Q596-T598 PolarHBondContact O-N 3.29Å
597	D	87.1	Confident	90.7	Very high	96 Å²	96	23 Å²	23	51%	0.513	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	10.4	-178.9	-39	-41.9	0	0	0	114.2	N97 L100	N97-D597 PolarHBondContact ND2-OD2 3.16Å; L100-D597 HydrophobicContact CD2-CB 4.4Å
598	T	89.6	Confident	90.1	Very high	15 Å²	15	21.6 Å²	21.6	9%	0.092	11%	0.112	C	C	.	.	S	Bend	trans	-140.1	171.7	177.5	79.2	0	0	0	0	112	F96 F453 V595 Q596 F600	F96-T598 HydrophobicContact CB-CG2 3.85Å; F96-T598 HydrophobicContact CD1-CG2 4.32Å; F96-T598 HydrophobicContact CD2-CG2 4.01Å; F96-T598 HydrophobicContact CG-CG2 3.82Å; F453-T598 HydrophobicContact CE1-CG2 4.39Å; F453-T598 HydrophobicContact CE2-CG2 4.07Å; F453-T598 HydrophobicContact CZ-CG2 3.82Å; V595-T598 WeakPolarHBondContact CB-OG1 3.46Å; V595-T598 HydrophobicContact CG1-CG2 4.08Å; V595-T598 PolarHBondContact O-N 3.09Å; V595-T598 PolarHBondContact O-OG1 3Å; Q596-T598 PolarHBondContact O-N 3.29Å; T598-F600 PolarHBondContact OG1-N 3.01Å
599	S	87.6	Confident	89.1	Confident	36 Å²	36	25.2 Å²	25.2	25%	0.252	14%	0.135	S	C	.	.	S	Bend	trans	-87.9	2.6	171.4	50.5	0	0	0	0	114.3	D511 D512	D511-S599 CarbonylContact C-O 3.57Å; D512-S599 PolarHBondContact N-O 2.83Å; D512-S599 VanDerWaalsContact N-O 3.1Å
600	F	93.9	Very high	87.9	Confident	2 Å²	2	28 Å²	28	1%	0.009	15%	0.147	C	C	.	.			trans	-91.8	145.6	-170.6	-57.9	-61.2	0	0	0	113.7	F96 F453 M467 L509 I510 D511 L517 V595 T598	F96-F600 HydrophobicContact CE1-CD2 4Å; F96-F600 AromaticContact CE1-CE2 3.65Å; F96-F600 HydrophobicContact CE1-CE2 3.65Å; F96-F600 AromaticContact CE2-CD2 3.8Å; F96-F600 HydrophobicContact CE2-CD2 3.8Å; F96-F600 HydrophobicContact CE2-CE2 4.27Å; F96-F600 AromaticContact CZ-CD2 3.42Å; F96-F600 HydrophobicContact CZ-CD2 3.42Å; F96-F600 VanDerWaalsContact CZ-CD2 3.42Å; F96-F600 AromaticContact CZ-CE2 3.44Å; F96-F600 HydrophobicContact CZ-CE2 3.44Å; F96-F600 VanDerWaalsContact CZ-CE2 3.44Å; F96-F600 HydrophobicContact CZ-CG 4.46Å; F96-F600 HydrophobicContact CZ-CZ 4.49Å; F453-F600 HydrophobicContact CB-CE2 3.82Å; F453-F600 HydrophobicContact CB-CZ 3.73Å; F453-F600 HydrophobicContact CD1-CE2 4.02Å; F453-F600 AromaticContact CG-CE2 3.88Å; F453-F600 HydrophobicContact CG-CE2 3.88Å; F453-F600 HydrophobicContact CG-CZ 4.32Å; M467-F600 HydrophobicContact SD-CE2 4.32Å; M467-F600 HydrophobicContact SD-CZ 3.8Å; L509-F600 HydrophobicContact CD1-CB 4.14Å; L509-F600 HydrophobicContact CG-CB 4.45Å; I510-F600 CarbonylContact O-C 3.52Å; I510-F600 WeakPolarHBondContact O-CA 3.4Å; D511-F600 HydrophobicContact CB-CD1 4.35Å; D511-F600 HydrophobicContact CB-CE1 4.43Å; L517-F600 HydrophobicContact CD1-CD1 3.99Å; L517-F600 HydrophobicContact CD1-CE1 3.84Å; L517-F600 HydrophobicContact CD2-CD1 3.89Å; L517-F600 HydrophobicContact CD2-CE1 3.42Å; L517-F600 VanDerWaalsContact CD2-CE1 3.42Å; L517-F600 HydrophobicContact CD2-CZ 3.93Å; L517-F600 HydrophobicContact CG-CE1 4.29Å; V595-F600 PolarHBondContact N-O 3.09Å; T598-F600 PolarHBondContact OG1-N 3.01Å
601	I	95.8	Very high	86.5	Confident	9 Å²	9	30.5 Å²	30.5	5%	0.046	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	121.4	177.1	-52	163.2	0	0	0	108.7	I510 I553 L554 W592 M594	I510-I601 HydrophobicContact CD1-CB 4.39Å; I510-I601 HydrophobicContact CG1-CB 3.94Å; I510-I601 PolarHBondContact N-O 3.01Å; I510-I601 PolarHBondContact O-N 3.45Å; I553-I601 HydrophobicContact CG2-CD1 4.42Å; I553-I601 HydrophobicContact CG2-CG2 3.88Å; L554-I601 HydrophobicContact CD2-CD1 4.06Å; W592-I601 HydrophobicContact CB-CG2 4.34Å; M594-I601 HydrophobicContact CB-CG1 4.43Å; M594-I601 HydrophobicContact CG-CG1 4.33Å
602	L	96.3	Very high	85.1	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	134.7	175.5	179.8	74.7	0	0	0	109.3	V85 L88 A89 I92 V496 T507 L509 W592 K593 V595	V85-L602 HydrophobicContact CG2-CB 4.39Å; V85-L602 HydrophobicContact CG2-CD2 3.77Å; V85-L602 HydrophobicContact CG2-CG 3.97Å; L88-L602 HydrophobicContact CB-CD2 3.77Å; L88-L602 HydrophobicContact CD2-CD1 4.24Å; L88-L602 HydrophobicContact CD2-CD2 3.94Å; L88-L602 HydrophobicContact CG-CD2 3.68Å; A89-L602 HydrophobicContact CB-CD2 3.9Å; I92-L602 HydrophobicContact CD1-CD1 3.85Å; I92-L602 HydrophobicContact CD1-CD2 4.2Å; V496-L602 HydrophobicContact CG2-CD1 4.16Å; T507-L602 WeakPolarHBondContact OG1-CD1 3.17Å; L509-L602 HydrophobicContact CD1-CB 4.1Å; L509-L602 HydrophobicContact CD1-CD1 4.15Å; W592-L602 CarbonylContact C-O 3.59Å; W592-L602 VanDerWaalsContact CA-O 3.23Å; W592-L602 WeakPolarHBondContact CA-O 3.48Å; K593-L602 PolarHBondContact N-O 3.19Å; K593-L602 PolarHBondContact O-N 2.66Å; V595-L602 HydrophobicContact CG2-CB 4.36Å
603	C	94.9	Very high	83.8	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.9	168	-167.7	0	0	0	0	111.4	T507 F508 A591 W592	T507-C603 WeakPolarHBondContact CA-O 3.35Å; T507-C603 VanDerWaalsContact CB-O 3.28Å; T507-C603 WeakPolarHBondContact CB-O 3.25Å; T507-C603 PolarHBondContact OG1-O 2.84Å; F508-C603 HydrophobicContact CD1-CB 4.3Å; F508-C603 HydrophobicContact CD2-CB 3.82Å; F508-C603 HydrophobicContact CE1-CB 3.89Å; F508-C603 HydrophobicContact CE2-CB 3.37Å; F508-C603 HydrophobicContact CG-CB 4.28Å; F508-C603 HydrophobicContact CZ-CB 3.41Å; F508-C603 VanDerWaalsContact CZ-CB 3.41Å; F508-C603 PolarHBondContact N-O 2.84Å; F508-C603 PolarHBondContact O-N 3.06Å; A591-C603 CarbonylContact O-C 3.46Å; A591-C603 WeakPolarHBondContact O-CA 3.33Å; A591-C603 PolarHBondContact O-SG 3.05Å; W592-C603 HydrophobicContact CB-CB 4.18Å
604	I	92.4	Very high	82.7	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.2	165.8	-59.5	-174.4	0	0	0	107.6	E84 V85 L88 Y499 Y506 A591 V606	E84-I604 HydrophobicContact CB-CD1 3.78Å; V85-I604 HydrophobicContact CB-CB 4.4Å; V85-I604 HydrophobicContact CB-CD1 3.89Å; V85-I604 HydrophobicContact CB-CG1 3.94Å; V85-I604 HydrophobicContact CG2-CD1 4.42Å; V85-I604 HydrophobicContact CG2-CG1 4.05Å; L88-I604 HydrophobicContact CD2-CD1 4.19Å; Y499-I604 HydrophobicContact CE1-CG2 4.44Å; Y499-I604 HydrophobicContact CE2-CD1 4.23Å; Y506-I604 WeakPolarHBondContact O-CA 3.48Å; A591-I604 PolarHBondContact N-O 2.89Å; A591-I604 PolarHBondContact O-N 3.48Å; I604-V606 HydrophobicContact CG2-CG2 4.05Å
605	V	88.8	Confident	81.8	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.5	177.9	-168.6	0	0	0	0	108.4	S505 Y506 F508 V588 S589 Y590	S505-V605 WeakPolarHBondContact CA-O 3.33Å; S505-V605 WeakPolarHBondContact CB-O 3.23Å; Y506-V605 HydrophobicContact CD1-CB 4.13Å; Y506-V605 HydrophobicContact CD2-CB 4.32Å; Y506-V605 HydrophobicContact CD2-CG2 4.27Å; Y506-V605 HydrophobicContact CE1-CB 3.7Å; Y506-V605 HydrophobicContact CE1-CG1 3.8Å; Y506-V605 HydrophobicContact CE1-CG2 4.33Å; Y506-V605 HydrophobicContact CE2-CB 3.92Å; Y506-V605 HydrophobicContact CE2-CG2 3.67Å; Y506-V605 HydrophobicContact CG-CB 4.42Å; Y506-V605 PolarHBondContact N-O 3.37Å; Y506-V605 PolarHBondContact O-N 3.38Å; F508-V605 HydrophobicContact CD1-CG2 4.06Å; F508-V605 HydrophobicContact CE1-CG2 3.69Å; V588-V605 HydrophobicContact CG1-CG1 3.39Å; S589-V605 WeakPolarHBondContact O-CA 3.37Å; Y590-V605 HydrophobicContact CD1-CG1 4.24Å; Y590-V605 HydrophobicContact CD1-CG2 3.64Å; Y590-V605 HydrophobicContact CE1-CB 4.35Å; Y590-V605 HydrophobicContact CE1-CG1 3.86Å; Y590-V605 HydrophobicContact CE1-CG2 3.53Å; Y590-V605 HydrophobicContact CE2-CG1 4.26Å
606	V	84.5	Confident	81.1	Confident	7 Å²	7	33.5 Å²	33.5	4%	0.042	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	123.1	-179.1	-172.7	0	0	0	0	109.7	S589 I604 E610	S589-V606 PolarHBondContact N-O 2.69Å; S589-V606 PolarHBondContact O-N 2.95Å; I604-V606 HydrophobicContact CG2-CG2 4.05Å; V606-E610 HydrophobicContact CG1-CG 4.21Å
607	I	78.3	Confident	80.5	Confident	2 Å²	2	34 Å²	34	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	127.6	173.8	-56.1	168.1	0	0	0	108.6	A504 H574 I575 L578 Y586 V588	A504-I607 PolarHBondContact O-N 2.92Å; H574-I607 HydrophobicContact CB-CD1 3.85Å; I575-I607 HydrophobicContact CG1-CD1 3.9Å; L578-I607 HydrophobicContact CD1-CB 3.73Å; L578-I607 HydrophobicContact CD1-CD1 3.91Å; L578-I607 HydrophobicContact CD1-CG1 4.42Å; L578-I607 HydrophobicContact CD1-CG2 3.69Å; Y586-I607 HydrophobicContact CD1-CG2 4.47Å; V588-I607 HydrophobicContact CG2-CG1 4.38Å
608	Q	73	Confident	79.6	Confident	47 Å²	47	34 Å²	34	22%	0.22	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	148.4	-179.6	-68.5	-177.3	-22.7	0	0	111.8	N587	N587-Q608 HydrophobicContact CB-CB 4.03Å; N587-Q608 PolarHBondContact O-N 2.82Å
609	P	64.8	Low	78.7	Confident	76 Å²	76	34 Å²	34	49%	0.494	18%	0.177	S	C	.	.	S	Bend	cis	-71.7	148	6.1	30.6	-36.6	0	0	0	113.5	I611	P609-I611 PolarHBondContact O-N 3.17Å
610	E	62.9	Low	77.5	Confident	75 Å²	75	37.9 Å²	37.9	35%	0.35	20%	0.195	S	C	.	.			trans	-64.2	104.9	174.9	-72	172.2	-162.3	0	0	110	V606 P612	V606-E610 HydrophobicContact CG1-CG 4.21Å; E610-P612 WeakPolarHBondContact O-CD 3.47Å
611	I	63	Low	76.1	Confident	51 Å²	51	40.4 Å²	40.4	26%	0.262	21%	0.211	S	C	.	.			trans	-75.9	120.8	176	-59.2	-178	0	0	0	108.4	L578 P609 V613 H803	L578-I611 HydrophobicContact CD2-CD1 3.82Å; P609-I611 PolarHBondContact O-N 3.17Å; I611-V613 PolarHBondContact O-N 2.67Å; I611-H803 HydrophobicContact CG2-CB 4.45Å
612	P	64.4	Low	74.3	Confident	41 Å²	41	45.1 Å²	45.1	27%	0.266	24%	0.24	S	C	.	.			trans	-64.3	124.4	179.2	24.6	-32.8	0	0	0	110.8	E76 I78 E610 K614	E76-P612 HydrophobicContact CB-CB 4.1Å; E76-P612 HydrophobicContact CG-CB 4.34Å; I78-P612 HydrophobicContact CG1-CB 4.33Å; E610-P612 WeakPolarHBondContact O-CD 3.47Å; P612-K614 PolarHBondContact O-N 3.28Å
613	V	69.2	Low	72.7	Confident	11 Å²	11	46.6 Å²	46.6	7%	0.067	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	113.1	-176.2	-177.2	0	0	0	0	108.5	K77 D501 I611 Q615	K77-V613 HydrophobicContact CB-CB 4.34Å; K77-V613 PolarHBondContact N-O 3.32Å; K77-V613 PolarHBondContact O-N 2.91Å; D501-V613 WeakPolarHBondContact O-CG1 3.37Å; D501-V613 WeakPolarHBondContact O-CG2 3.43Å; I611-V613 PolarHBondContact O-N 2.67Å; V613-Q615 HydrophobicContact CG1-CG 4.18Å; V613-Q615 PolarHBondContact O-N 2.86Å
614	K	71.4	Confident	70.9	Confident	55 Å²	55	49.4 Å²	49.4	24%	0.239	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	94.9	-175	-55.4	-130.7	-167.5	-165.4	0	110.5	Y74 E76 P612 S794	Y74-K614 HydrophobicContact CD1-CB 3.72Å; Y74-K614 WeakPolarHBondContact CD1-O 2.96Å; Y74-K614 HydrophobicContact CE1-CB 4.49Å; Y74-K614 HydrophobicContact CG-CB 4.02Å; Y74-K614 HydrophobicContact CG-CD 4.49Å; E76-K614 HydrophobicContact CG-CD 4.02Å; E76-K614 HydrophobicContact CG-CG 4.24Å; E76-K614 WeakPolarHBondContact OE1-CE 3.37Å; E76-K614 IonicContact OE1-NZ 3.03Å; E76-K614 PolarHBondContact OE1-NZ 2.96Å; P612-K614 PolarHBondContact O-N 3.28Å; K614-S794 WeakPolarHBondContact CD-OG 3.37Å
615	Q	76.3	Confident	69.6	Low	52 Å²	52	50.7 Å²	50.7	24%	0.243	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	139.3	178.8	-62.2	-179	-7.7	0	0	111	Y74 T75 V613 K617	Y74-Q615 CarbonylContact C-O 3.59Å; Y74-Q615 VanDerWaalsContact CA-O 3.28Å; Y74-Q615 WeakPolarHBondContact CA-O 3.34Å; T75-Q615 PolarHBondContact N-O 2.87Å; T75-Q615 PolarHBondContact O-N 3.18Å; T75-Q615 PolarHBondContact OG1-O 3.32Å; V613-Q615 HydrophobicContact CG1-CG 4.18Å; V613-Q615 PolarHBondContact O-N 2.86Å; Q615-K617 PolarHBondContact O-N 3.26Å
616	L	79.8	Confident	69	Low	23 Å²	23	57.6 Å²	57.6	12%	0.12	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	121.6	-179.8	-73.6	169.2	0	0	0	111.6	F69 F72 Y74 N618 N703 E704 A707	F69-L616 HydrophobicContact CE1-CD1 4.26Å; F72-L616 HydrophobicContact CB-CD2 3.65Å; F72-L616 HydrophobicContact CD2-CD2 3.68Å; F72-L616 HydrophobicContact CG-CD2 3.99Å; Y74-L616 HydrophobicContact CD1-CD2 4.05Å; Y74-L616 HydrophobicContact CE1-CD2 3.49Å; Y74-L616 VanDerWaalsContact CE1-CD2 3.49Å; Y74-L616 HydrophobicContact CE1-CG 4.11Å; L616-N618 PolarHBondContact O-N 3.43Å; L616-N703 HydrophobicContact CB-CB 4.03Å; L616-N703 PolarHBondContact O-ND2 2.85Å; L616-E704 HydrophobicContact CD1-CG 4.19Å; L616-A707 HydrophobicContact CD1-CB 3.64Å
617	K	77.6	Confident	69.1	Low	115 Å²	115	58.3 Å²	58.3	50%	0.5	31%	0.311	S	S	.	.			trans	-87.8	104	-176.9	-168.7	-174.5	-173	174.4	0	111.6	V73 T75 Q615 L619	V73-K617 HydrophobicContact CB-CB 4.43Å; V73-K617 HydrophobicContact CG1-CB 4.21Å; V73-K617 HydrophobicContact CG1-CD 3.96Å; V73-K617 VanDerWaalsContact O-CB 3.3Å; V73-K617 WeakPolarHBondContact O-CB 3.49Å; V73-K617 PolarHBondContact O-N 3.31Å; T75-K617 HydrophobicContact CG2-CB 4.17Å; T75-K617 HydrophobicContact CG2-CD 3.89Å; T75-K617 HydrophobicContact CG2-CG 3.98Å; Q615-K617 PolarHBondContact O-N 3.26Å; K617-L619 PolarHBondContact O-N 3.11Å
618	N	67.9	Low	69.7	Low	97 Å²	97	58.5 Å²	58.5	52%	0.519	31%	0.312	S	S	.	.			trans	37.7	71.9	163.3	-80.2	-21.4	0	0	0	115.1	L616 N620 R690 N703	L616-N618 PolarHBondContact O-N 3.43Å; N618-N620 PolarHBondContact O-N 3.47Å; N618-R690 PolarHBondContact OD1-NH1 3.01Å; N618-N703 PolarHBondContact N-ND2 3.25Å
619	L	69.4	Low	70.6	Confident	14 Å²	14	56.3 Å²	56.3	7%	0.073	30%	0.302	C	S	.	.			trans	-65.2	135.7	171.1	-59.8	-177.1	0	0	0	110	F72 K617 R690 N703 M706 A707	F72-L619 HydrophobicContact CB-CD2 4.46Å; F72-L619 HydrophobicContact CD1-CD1 4.3Å; F72-L619 HydrophobicContact CD1-CD2 3.64Å; F72-L619 HydrophobicContact CE1-CD1 4.06Å; F72-L619 HydrophobicContact CE1-CD2 4.05Å; F72-L619 HydrophobicContact CE2-CD1 4.41Å; F72-L619 HydrophobicContact CG-CD2 4.1Å; F72-L619 HydrophobicContact CZ-CD1 4.12Å; K617-L619 PolarHBondContact O-N 3.11Å; L619-R690 PolarHBondContact O-NH2 3.24Å; L619-N703 PolarHBondContact N-OD1 3.28Å; L619-M706 HydrophobicContact CB-CE 4.27Å; L619-M706 HydrophobicContact CB-SD 4.44Å; L619-M706 HydrophobicContact CD1-CB 4.33Å; L619-A707 HydrophobicContact CD1-CB 3.91Å
620	N	64.1	Low	71.9	Confident	119 Å²	119	52.7 Å²	52.7	64%	0.636	28%	0.278	S	S	*	.			trans	-124.7	20.2	173.9	-67.4	-18.3	0	0	0	110.4	N618 R690	N618-N620 PolarHBondContact O-N 3.47Å; N620-R690 PolarHBondContact OD1-NE 2.58Å; N620-R690 PolarHBondContact OD1-NH2 2.97Å
621	T	63.1	Low	73.3	Confident	55 Å²	55	51 Å²	51	34%	0.337	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-71.1	137.2	173	39.6	0	0	0	0	109.9	M706	T621-M706 WeakPolarHBondContact O-CE 3.35Å
622	V	59.3	Low	74.6	Confident	108 Å²	108	49 Å²	49	66%	0.655	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-70.3	131.7	171.8	-175.1	0	0	0	0	108
623	P	61.1	Low	75.7	Confident	31 Å²	31	49.9 Å²	49.9	20%	0.201	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-58	138.2	171.8	-23.1	33.9	0	0	0	110.7	S625	P623-S625 PolarHBondContact O-N 3.49Å
624	S	58.1	Low	76.7	Confident	58 Å²	58	51.5 Å²	51.5	41%	0.406	27%	0.269	S	S	.	.	S	Bend	trans	-66.9	-27.1	179.1	58.8	0	0	0	0	113.3	D713	S624-D713 WeakPolarHBondContact CB-OD1 3.19Å; S624-D713 WeakPolarHBondContact CB-OD2 3.12Å; S624-D713 PolarHBondContact OG-OD1 3.38Å; S624-D713 PolarHBondContact OG-OD2 3.01Å
625	S	64.6	Low	77.2	Confident	27 Å²	27	50.6 Å²	50.6	19%	0.189	27%	0.267	C	S	.	.	S	Bend	trans	-132.8	160.2	-170.8	49	0	0	0	0	111.7	P623 L627 T712	P623-S625 PolarHBondContact O-N 3.49Å; S625-L627 PolarHBondContact O-N 3.33Å; S625-T712 WeakPolarHBondContact OG-CG2 3.45Å; S625-T712 PolarHBondContact OG-OG1 2.94Å
626	K	75.9	Confident	77.1	Confident	146 Å²	146	50.7 Å²	50.7	64%	0.635	28%	0.281	S	S	*	.			trans	-64.5	117.7	173	-179.4	-172.2	173.4	-165	0	109.5	L628 S652	K626-L628 HydrophobicContact CD-CD2 4.18Å; K626-L628 HydrophobicContact CG-CD2 4.32Å; K626-L628 PolarHBondContact O-N 3.47Å; K626-S652 PolarHBondContact O-OG 2.96Å
627	L	86.8	Confident	76.9	Confident	21 Å²	21	51 Å²	51	11%	0.11	28%	0.283	C	S	.	.			trans	-63.8	123.2	174.2	-174.7	152.8	0	0	0	110.1	S625 T682 L685 V705	S625-L627 PolarHBondContact O-N 3.33Å; L627-T682 HydrophobicContact CD2-CG2 4.01Å; L627-L685 HydrophobicContact CD1-CB 3.76Å; L627-V705 HydrophobicContact CD1-CG1 3.6Å
628	L	90.4	Very high	76.5	Confident	7 Å²	7	51.7 Å²	51.7	4%	0.037	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	138.5	169.7	-60.6	-173.8	0	0	0	109.9	K626 T649 T654 V655	K626-L628 HydrophobicContact CD-CD2 4.18Å; K626-L628 HydrophobicContact CG-CD2 4.32Å; K626-L628 PolarHBondContact O-N 3.47Å; L628-T649 HydrophobicContact CD1-CG2 4.06Å; L628-T654 HydrophobicContact CB-CG2 4.25Å; L628-V655 PolarHBondContact O-N 3.01Å
629	Y	93.2	Very high	77.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	150	171	-158.6	-107.1	0	0	0	110.1	R631 V655 L657 V678 Y681	Y629-R631 HydrophobicContact CD1-CB 4.17Å; Y629-R631 HydrophobicContact CD1-CG 4.06Å; Y629-R631 HydrophobicContact CE1-CG 4.13Å; Y629-R631 PolarHBondContact O-N 3.28Å; Y629-R631 VanDerWaalsContact O-N 3.09Å; Y629-V655 CarbonylContact C-O 3.52Å; Y629-V655 WeakPolarHBondContact CA-O 3.49Å; Y629-L657 HydrophobicContact CE2-CD1 4.13Å; Y629-L657 HydrophobicContact CE2-CG 4.09Å; Y629-V678 HydrophobicContact CD1-CB 4.43Å; Y629-V678 HydrophobicContact CD1-CG1 3.63Å; Y629-V678 HydrophobicContact CD1-CG2 4.17Å; Y629-V678 HydrophobicContact CE1-CG1 4.46Å; Y629-V678 HydrophobicContact CE1-CG2 4.28Å; Y629-V678 HydrophobicContact CG-CG1 4.1Å; Y629-Y681 HydrophobicContact CE1-CD2 4.19Å; Y629-Y681 HydrophobicContact CE2-CD2 4.47Å; Y629-Y681 AromaticContact CZ-CD2 3.93Å
630	H	92.4	Very high	78.1	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	29%	0.287	C	S	.	.	S	Bend	trans	-60.7	-20.1	-174.7	69.4	109.9	0	0	0	115.2	L632 V655 M656 L747 M748	H630-L632 PolarHBondContact O-N 3.43Å; H630-V655 PolarHBondContact CD2-O 3.42Å; H630-V655 PolarHBondContact N-O 2.95Å; H630-M656 HydrophobicContact CB-CB 4.1Å; H630-L747 WeakPolarHBondContact O-CA 3.36Å; H630-L747 VanDerWaalsContact O-CD1 3.25Å; H630-L747 WeakPolarHBondContact O-CD1 3.29Å; H630-M748 HydrophobicContact CB-CB 4.46Å; H630-M748 PolarHBondContact CE1-O 2.92Å; H630-M748 PolarHBondContact ND1-O 3.15Å
631	R	92.4	Very high	79.4	Confident	41 Å²	41	43 Å²	43	16%	0.155	26%	0.257	C	S	.	.			trans	-75.3	61.6	176.4	-62.1	-56.7	-57.8	-87.7	2.4	112.9	Y629 D633 L634 L635 E673 V678	Y629-R631 HydrophobicContact CD1-CB 4.17Å; Y629-R631 HydrophobicContact CD1-CG 4.06Å; Y629-R631 HydrophobicContact CE1-CG 4.13Å; Y629-R631 PolarHBondContact O-N 3.28Å; Y629-R631 VanDerWaalsContact O-N 3.09Å; R631-D633 WeakPolarHBondContact CA-OD1 3.12Å; R631-D633 IonicContact CZ-OD1 2.85Å; R631-D633 IonicContact CZ-OD2 3.65Å; R631-D633 IonicContact NE-OD1 3.97Å; R631-D633 PolarHBondContact NE-OD1 2.96Å; R631-D633 IonicContact NE-OD2 3.18Å; R631-D633 PolarHBondContact NE-OD2 3.02Å; R631-D633 IonicContact NH2-OD1 3.51Å; R631-D633 IonicContact NH2-OD2 2.8Å; R631-D633 PolarHBondContact NH2-OD2 2.75Å; R631-D633 PolarHBondContact O-N 3.41Å; R631-L634 HydrophobicContact CB-CB 4.35Å; R631-L634 HydrophobicContact CB-CD1 4.19Å; R631-L634 HydrophobicContact CB-CG 4.41Å; R631-L634 HydrophobicContact CG-CD1 4.44Å; R631-L634 PolarHBondContact O-N 3.05Å; R631-L635 PolarHBondContact O-N 3.42Å; R631-L635 VanDerWaalsContact O-N 3.15Å; R631-E673 VanDerWaalsContact CD-OE2 3.25Å; R631-E673 WeakPolarHBondContact CD-OE2 3.22Å; R631-E673 VanDerWaalsContact CG-OE2 3.28Å; R631-E673 WeakPolarHBondContact CG-OE2 3.41Å; R631-E673 IonicContact CZ-OE2 3.1Å; R631-E673 IonicContact NE-OE2 3.32Å; R631-E673 IonicContact NH1-OE2 2.73Å; R631-E673 PolarHBondContact NH1-OE2 2.72Å; R631-V678 HydrophobicContact CB-CG1 4.17Å; R631-V678 HydrophobicContact CB-CG2 3.9Å; R631-V678 HydrophobicContact CG-CG2 3.96Å
632	L	89.8	Confident	80.6	Confident	7 Å²	7	40.9 Å²	40.9	4%	0.037	24%	0.244	C	C	.	.	H	α-helix	trans	-59.2	-32.8	176.6	-60.9	178.6	0	0	0	111.9	H630 G636 Q637 L647 T649 T654 G745	H630-L632 PolarHBondContact O-N 3.43Å; L632-G636 PolarHBondContact O-N 2.93Å; L632-Q637 HydrophobicContact CD2-CG 3.88Å; L632-L647 HydrophobicContact CB-CD2 3.92Å; L632-L647 HydrophobicContact CB-CG 4.18Å; L632-L647 HydrophobicContact CD1-CG 4.49Å; L632-T649 HydrophobicContact CD1-CG2 4.26Å; L632-T649 HydrophobicContact CD2-CG2 4.24Å; L632-T654 HydrophobicContact CD1-CG2 4.31Å; L632-T654 HydrophobicContact CD2-CG2 3.83Å; L632-T654 HydrophobicContact CG-CG2 4.19Å; L632-G745 WeakPolarHBondContact CD1-O 3.35Å
633	D	87.9	Confident	82	Confident	61 Å²	61	35.9 Å²	35.9	33%	0.326	21%	0.213	S	C	.	.	H	α-helix	trans	-61	-43.3	175.7	63.3	-49.1	0	0	0	112.9	R631 L647	R631-D633 WeakPolarHBondContact CA-OD1 3.12Å; R631-D633 IonicContact CZ-OD1 2.85Å; R631-D633 IonicContact CZ-OD2 3.65Å; R631-D633 IonicContact NE-OD1 3.97Å; R631-D633 PolarHBondContact NE-OD1 2.96Å; R631-D633 IonicContact NE-OD2 3.18Å; R631-D633 PolarHBondContact NE-OD2 3.02Å; R631-D633 IonicContact NH2-OD1 3.51Å; R631-D633 IonicContact NH2-OD2 2.8Å; R631-D633 PolarHBondContact NH2-OD2 2.75Å; R631-D633 PolarHBondContact O-N 3.41Å; D633-L647 HydrophobicContact CB-CD2 3.94Å
634	L	88.9	Confident	83.2	Confident	44 Å²	44	35.3 Å²	35.3	23%	0.23	21%	0.208	C	C	.	.	H	α-helix	trans	-81.1	-35.1	179.7	-65.2	178.7	0	0	0	112.6	R631 E673 K675 V678	R631-L634 HydrophobicContact CB-CB 4.35Å; R631-L634 HydrophobicContact CB-CD1 4.19Å; R631-L634 HydrophobicContact CB-CG 4.41Å; R631-L634 HydrophobicContact CG-CD1 4.44Å; R631-L634 PolarHBondContact O-N 3.05Å; L634-E673 WeakPolarHBondContact CD1-O 3.43Å; L634-K675 HydrophobicContact CB-CB 4.29Å; L634-K675 VanDerWaalsContact O-CD 3.32Å; L634-K675 WeakPolarHBondContact O-CD 3.13Å; L634-K675 WeakPolarHBondContact O-CE 3.16Å; L634-K675 WeakPolarHBondContact O-CG 3.32Å; L634-K675 PolarHBondContact O-NZ 2.83Å; L634-V678 HydrophobicContact CD1-CG2 3.99Å
635	L	83.4	Confident	84.3	Confident	36 Å²	36	34.3 Å²	34.3	19%	0.188	20%	0.196	C	C	.	.	H	α-helix	trans	-76.8	-42.9	-177.3	-70.2	176.6	0	0	0	111.9	R631 K675 V678 E679	R631-L635 PolarHBondContact O-N 3.42Å; R631-L635 VanDerWaalsContact O-N 3.15Å; L635-K675 PolarHBondContact O-NZ 3.33Å; L635-V678 HydrophobicContact CD1-CG1 3.87Å; L635-V678 HydrophobicContact CD2-CG1 3.92Å; L635-V678 HydrophobicContact CG-CG1 3.85Å; L635-E679 HydrophobicContact CD2-CG 4.05Å
636	G	72.8	Confident	85.3	Confident	54 Å²	54	33.7 Å²	33.7	56%	0.557	19%	0.19	S	C	*	.			trans	77.2	97.3	-176.1	0	0	0	0	0	112.1	L632	L632-G636 PolarHBondContact O-N 2.93Å
637	Q	75.8	Confident	86	Confident	31 Å²	31	27 Å²	27	15%	0.145	16%	0.161	C	C	.	.			trans	-98.1	137.7	173.8	-55.8	-54.2	-32.1	0	0	111	L632 S639 A640	L632-Q637 HydrophobicContact CD2-CG 3.88Å; Q637-S639 PolarHBondContact O-N 3.27Å; Q637-A640 WeakPolarHBondContact O-CB 3.48Å; Q637-A640 PolarHBondContact O-N 3.19Å
638	P	68.9	Low	86.3	Confident	128 Å²	128	26 Å²	26	83%	0.831	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-17.2	175.5	32	-36.1	0	0	0	112.9
639	S	81.9	Confident	86.3	Confident	27 Å²	27	25.7 Å²	25.7	19%	0.189	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	14.7	179.6	58.2	0	0	0	0	113.5	Q637 T649 E651	Q637-S639 PolarHBondContact O-N 3.27Å; S639-T649 PolarHBondContact OG-OG1 3.19Å; S639-E651 WeakPolarHBondContact CB-OE1 3.41Å; S639-E651 WeakPolarHBondContact CB-OE2 3.36Å; S639-E651 PolarHBondContact OG-OE2 3.47Å
640	A	88.8	Confident	86.2	Confident	20 Å²	20	28.8 Å²	28.8	17%	0.165	17%	0.17	C	C	.	.			trans	-63.2	138.5	-179.2	0	0	0	0	0	111.5	Q637 L647 A648 L1016	Q637-A640 WeakPolarHBondContact O-CB 3.48Å; Q637-A640 PolarHBondContact O-N 3.19Å; A640-L647 HydrophobicContact CB-CD1 4.17Å; A640-A648 WeakPolarHBondContact CA-O 3.2Å; A640-L1016 HydrophobicContact CB-CD2 3.9Å; A640-L1016 WeakPolarHBondContact O-CD2 3.36Å
641	C	91	Very high	86	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.014	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	166.6	175.2	57.4	0	0	0	0	109.3	A648 H1017 C1019	C641-A648 PolarHBondContact N-O 3.01Å; C641-A648 PolarHBondContact O-N 2.85Å; C641-A648 VanDerWaalsContact O-O 3.09Å; C641-H1017 CarbonylContact C-O 3.56Å; C641-H1017 WeakPolarHBondContact CA-O 3.48Å; C641-H1017 WeakPolarHBondContact CB-O 3.03Å; C641-C1019 HydrophobicContact CB-CB 3.94Å; C641-C1019 WeakPolarHBondContact CB-SG 3.43Å; C641-C1019 VanDerWaalsContact SG-CA 3.52Å; C641-C1019 WeakPolarHBondContact SG-CB 3.4Å; C641-C1019 CovalentContact SG-SG 2.03Å; C641-C1019 PolarHBondContact SG-SG 2.71Å
642	L	88.5	Confident	85.8	Confident	10 Å²	10	32.6 Å²	32.6	5%	0.052	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	120.4	174.9	-152.1	69.9	0	0	0	108.7	F644 Q646 I1008 Q1013 L1016 H1017 Q1018 C1019	L642-F644 WeakPolarHBondContact CD2-O 3.32Å; L642-Q646 CarbonylContact C-O 3.6Å; L642-I1008 HydrophobicContact CD1-CD1 4.02Å; L642-Q1013 HydrophobicContact CD1-CG 4.23Å; L642-Q1013 HydrophobicContact CD2-CG 3.88Å; L642-L1016 HydrophobicContact CB-CB 4.48Å; L642-H1017 PolarHBondContact N-O 2.66Å; L642-Q1018 CarbonylContact O-C 3.41Å; L642-Q1018 VanDerWaalsContact O-CA 3.26Å; L642-Q1018 WeakPolarHBondContact O-CA 3.23Å; L642-Q1018 PolarHBondContact O-OE1 3.17Å; L642-C1019 PolarHBondContact O-N 2.97Å; L642-C1019 PolarHBondContact O-SG 3.02Å
643	H	88.8	Confident	86	Confident	3 Å²	3	32.3 Å²	32.3	1%	0.014	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	97.4	172	-168.2	55.1	0	0	0	107.8	K645 Q646 A648 V729 C1019	H643-K645 PolarHBondContact O-N 3.16Å; H643-Q646 PolarHBondContact N-O 3.44Å; H643-Q646 PolarHBondContact O-N 3.36Å; H643-A648 HydrophobicContact CB-CB 3.64Å; H643-V729 PolarHBondContact NE2-O 2.94Å; H643-C1019 HydrophobicContact CB-CB 4.37Å
644	F	86.7	Confident	86.2	Confident	19 Å²	19	29.4 Å²	29.4	8%	0.083	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	-95.5	-165.8	-55.1	-85.9	0	0	0	111.6	L642 V729 A782 Q1018 L1037 D1038	L642-F644 WeakPolarHBondContact CD2-O 3.32Å; F644-V729 HydrophobicContact CE2-CG1 4.15Å; F644-A782 HydrophobicContact CD1-CB 4.13Å; F644-A782 HydrophobicContact CD2-CB 3.75Å; F644-A782 HydrophobicContact CE1-CB 3.99Å; F644-A782 HydrophobicContact CE2-CB 3.61Å; F644-A782 HydrophobicContact CG-CB 4.01Å; F644-A782 HydrophobicContact CZ-CB 3.73Å; F644-Q1018 VanDerWaalsContact N-OE1 3.1Å; F644-Q1018 PolarHBondContact O-NE2 3.03Å; F644-L1037 HydrophobicContact CZ-CB 4.14Å; F644-L1037 HydrophobicContact CZ-CD2 3.93Å; F644-D1038 HydrophobicContact CE1-CB 3.94Å
645	K	81.1	Confident	86.5	Confident	37 Å²	37	27.3 Å²	27.3	16%	0.161	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-11.2	172.3	-59.3	-170.6	173	-152	0	113.2	H643 G780 Y1005 I1008 Y1074 D1076	H643-K645 PolarHBondContact O-N 3.16Å; K645-G780 WeakPolarHBondContact CB-O 3.07Å; K645-G780 PolarHBondContact N-O 3.13Å; K645-Y1005 HydrophobicContact CB-CE2 3.95Å; K645-Y1005 PolarHBondContact O-OH 2.87Å; K645-I1008 WeakPolarHBondContact O-CD1 3.24Å; K645-Y1074 PolarHBondContact NZ-O 3.1Å; K645-D1076 WeakPolarHBondContact CE-OD1 3.38Å; K645-D1076 IonicContact NZ-OD1 3.71Å; K645-D1076 PolarHBondContact NZ-OD1 3.1Å
646	Q	86.6	Confident	87	Confident	13 Å²	13	25.6 Å²	25.6	6%	0.061	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	136.7	-166.9	-168.6	161.6	43.7	0	0	111.7	L642 H643 A648 L747 G780	L642-Q646 CarbonylContact C-O 3.6Å; H643-Q646 PolarHBondContact N-O 3.44Å; H643-Q646 PolarHBondContact O-N 3.36Å; Q646-A648 PolarHBondContact O-N 3.18Å; Q646-L747 PolarHBondContact NE2-O 2.9Å; Q646-G780 PolarHBondContact N-O 3.26Å
647	L	90	Very high	88.1	Confident	6 Å²	6	23 Å²	23	3%	0.031	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	125.7	172.5	179.3	63.9	0	0	0	109.6	L632 D633 A640 L747 I1008 L1016	L632-L647 HydrophobicContact CB-CD2 3.92Å; L632-L647 HydrophobicContact CB-CG 4.18Å; L632-L647 HydrophobicContact CD1-CG 4.49Å; D633-L647 HydrophobicContact CB-CD2 3.94Å; A640-L647 HydrophobicContact CB-CD1 4.17Å; L647-L747 HydrophobicContact CB-CB 4.04Å; L647-L747 HydrophobicContact CB-CD2 4.09Å; L647-L747 HydrophobicContact CD2-CD2 4.26Å; L647-L747 WeakPolarHBondContact O-CB 3.37Å; L647-L747 PolarHBondContact O-N 3.37Å; L647-I1008 HydrophobicContact CB-CD1 3.83Å; L647-I1008 HydrophobicContact CB-CG1 4.37Å; L647-L1016 HydrophobicContact CD1-CD1 3.58Å
648	A	92	Very high	88.9	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	176.1	-173.3	0	0	0	0	0	113.9	A640 C641 H643 Q646 G745	A640-A648 WeakPolarHBondContact CA-O 3.2Å; C641-A648 PolarHBondContact N-O 3.01Å; C641-A648 PolarHBondContact O-N 2.85Å; C641-A648 VanDerWaalsContact O-O 3.09Å; H643-A648 HydrophobicContact CB-CB 3.64Å; Q646-A648 PolarHBondContact O-N 3.18Å; A648-G745 CarbonylContact C-O 3.58Å; A648-G745 WeakPolarHBondContact CA-O 3.41Å; A648-G745 WeakPolarHBondContact CB-O 3.08Å
649	T	91.8	Very high	90	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	147.1	168.8	177	0	0	0	0	110.2	L628 L632 S639 E651 G745	L628-T649 HydrophobicContact CD1-CG2 4.06Å; L632-T649 HydrophobicContact CD1-CG2 4.26Å; L632-T649 HydrophobicContact CD2-CG2 4.24Å; S639-T649 PolarHBondContact OG-OG1 3.19Å; T649-E651 PolarHBondContact OG1-N 3.45Å; T649-G745 PolarHBondContact N-O 3.18Å; T649-G745 PolarHBondContact O-N 3.06Å
650	L	90.1	Very high	90.4	Very high	65 Å²	65	14.7 Å²	14.7	34%	0.34	8%	0.077	S	C	.	.	S	Bend	trans	-88.4	-13.1	174.8	-65.6	173.7	0	0	0	113.2	S652 Y743 P744 C1019	L650-S652 PolarHBondContact O-N 3.09Å; L650-Y743 WeakPolarHBondContact O-CE2 3.25Å; L650-Y743 PolarHBondContact O-OH 3.5Å; L650-P744 HydrophobicContact CD2-CB 4.05Å; L650-P744 HydrophobicContact CD2-CG 3.91Å; L650-C1019 HydrophobicContact CD1-CB 4.48Å; L650-C1019 HydrophobicContact CD2-CB 4.46Å; L650-C1019 HydrophobicContact CG-CB 4.36Å
651	E	88.1	Confident	90.6	Very high	115 Å²	115	13.7 Å²	13.7	54%	0.537	7%	0.069	S	C	.	.	S	Bend	trans	-69.9	-28.5	-171.1	-71.5	-175.4	145.6	0	0	114.9	S639 T649	S639-E651 WeakPolarHBondContact CB-OE1 3.41Å; S639-E651 WeakPolarHBondContact CB-OE2 3.36Å; S639-E651 PolarHBondContact OG-OE2 3.47Å; T649-E651 PolarHBondContact OG1-N 3.45Å
652	S	89.3	Confident	90.8	Very high	7 Å²	7	14.1 Å²	14.1	5%	0.049	7%	0.07	C	C	.	.	S	Bend	trans	-166.2	145.9	-177.8	-178.1	0	0	0	0	111.3	K626 L650 G745	K626-S652 PolarHBondContact O-OG 2.96Å; L650-S652 PolarHBondContact O-N 3.09Å; S652-G745 WeakPolarHBondContact O-CA 3.41Å
653	P	92.8	Very high	90.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.088	C	C	.	.	P	Polyproline II helix	trans	-60.8	135.6	171.1	-18.3	29.2	0	0	0	112.4	T712 R741 I742 Y743	P653-T712 HydrophobicContact CG-CG2 3.76Å; P653-R741 HydrophobicContact CB-CG 3.84Å; P653-I742 CarbonylContact C-O 3.57Å; P653-I742 WeakPolarHBondContact CA-O 3.49Å; P653-I742 WeakPolarHBondContact CB-O 3.23Å; P653-Y743 HydrophobicContact CB-CD2 4.2Å; P653-Y743 HydrophobicContact CG-CD2 3.69Å; P653-Y743 HydrophobicContact CG-CG 4.2Å
654	T	93.6	Very high	91	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	151.2	172.5	50.6	0	0	0	0	111.4	L628 L632 R741 I742 S746	L628-T654 HydrophobicContact CB-CG2 4.25Å; L632-T654 HydrophobicContact CD1-CG2 4.31Å; L632-T654 HydrophobicContact CD2-CG2 3.83Å; L632-T654 HydrophobicContact CG-CG2 4.19Å; T654-R741 WeakPolarHBondContact O-CA 3.23Å; T654-I742 PolarHBondContact N-O 3Å; T654-I742 PolarHBondContact O-N 2.67Å; T654-I742 WeakPolarHBondContact OG1-CG2 3.49Å; T654-S746 PolarHBondContact OG1-N 3.08Å; T654-S746 PolarHBondContact OG1-O 3.38Å
655	V	94.4	Very high	91.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	132.7	167.4	-179.6	0	0	0	0	109.3	L628 Y629 H630 L657 V705 V739 L740	L628-V655 PolarHBondContact O-N 3.01Å; Y629-V655 CarbonylContact C-O 3.52Å; Y629-V655 WeakPolarHBondContact CA-O 3.49Å; H630-V655 PolarHBondContact CD2-O 3.42Å; H630-V655 PolarHBondContact N-O 2.95Å; V655-L657 HydrophobicContact CG1-CD2 4.27Å; V655-V705 HydrophobicContact CG1-CG1 4.34Å; V655-V705 HydrophobicContact CG1-CG2 4.05Å; V655-V705 HydrophobicContact CG2-CG1 4.36Å; V655-V739 HydrophobicContact CG1-CG1 4.31Å; V655-L740 CarbonylContact C-O 3.27Å; V655-L740 WeakPolarHBondContact CA-O 3.04Å
656	M	94.4	Very high	91.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	147.7	167.7	-179.4	-86.2	175.8	0	0	108.9	H630 S658 L740 M748 D749 F752	H630-M656 HydrophobicContact CB-CB 4.1Å; M656-S658 PolarHBondContact SD-N 2.83Å; M656-L740 HydrophobicContact CB-CB 4.29Å; M656-L740 HydrophobicContact CB-CD2 4.44Å; M656-L740 PolarHBondContact N-O 2.98Å; M656-L740 PolarHBondContact O-N 2.98Å; M656-L740 VanDerWaalsContact O-O 3.13Å; M656-L740 HydrophobicContact SD-CB 4.44Å; M656-M748 HydrophobicContact CB-CB 4.27Å; M656-M748 HydrophobicContact CB-CG 4.14Å; M656-M748 HydrophobicContact CG-CB 3.83Å; M656-M748 HydrophobicContact CG-CG 4.2Å; M656-D749 WeakPolarHBondContact CE-O 3Å; M656-F752 HydrophobicContact CE-CB 4.21Å; M656-F752 VanDerWaalsContact CE-O 3.26Å; M656-F752 WeakPolarHBondContact CE-O 3.35Å
657	L	94.9	Very high	91.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	114.4	177.3	-62.2	179.3	0	0	0	107.9	Y629 V655 F662 L685 L697 V701 V705 V739	Y629-L657 HydrophobicContact CE2-CD1 4.13Å; Y629-L657 HydrophobicContact CE2-CG 4.09Å; V655-L657 HydrophobicContact CG1-CD2 4.27Å; L657-F662 HydrophobicContact CB-CE2 4.01Å; L657-F662 HydrophobicContact CB-CZ 4.39Å; L657-L685 HydrophobicContact CD1-CD1 4.2Å; L657-L697 HydrophobicContact CD1-CD1 3.94Å; L657-L697 HydrophobicContact CD1-CD2 3.71Å; L657-V701 HydrophobicContact CD1-CG1 4.17Å; L657-V701 HydrophobicContact CD2-CG1 3.7Å; L657-V705 HydrophobicContact CD2-CG2 4.02Å; L657-V739 HydrophobicContact CD2-CB 4.25Å; L657-V739 HydrophobicContact CD2-CG1 4.13Å; L657-V739 HydrophobicContact CD2-CG2 3.85Å
658	S	93.2	Very high	91.7	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.007	11%	0.109	C	C	.	.			trans	-69.1	164.6	175.5	86.8	0	0	0	0	110.8	M656 G660 S661 G738 F752	M656-S658 PolarHBondContact SD-N 2.83Å; S658-G660 PolarHBondContact O-N 3.08Å; S658-G660 PolarHBondContact OG-N 3.26Å; S658-S661 WeakPolarHBondContact O-CB 3.3Å; S658-S661 PolarHBondContact O-N 2.83Å; S658-G738 PolarHBondContact N-O 2.91Å; S658-G738 WeakPolarHBondContact OG-CA 3.22Å; S658-F752 VanDerWaalsContact CB-O 3.23Å; S658-F752 WeakPolarHBondContact CB-O 3.44Å
659	A	92.3	Very high	91.5	Very high	5 Å²	5	20.6 Å²	20.6	4%	0.041	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-50.9	-28.3	176.5	0	0	0	0	0	113.2	Y498 S661 F662 P665 L669	Y498-A659 HydrophobicContact CE1-CB 4.02Å; A659-S661 PolarHBondContact O-N 2.9Å; A659-F662 PolarHBondContact O-N 3.45Å; A659-P665 HydrophobicContact CB-CB 3.99Å; A659-P665 WeakPolarHBondContact O-CB 3.32Å; A659-P665 WeakPolarHBondContact O-CG 3.19Å; A659-L669 HydrophobicContact CB-CD1 3.63Å; A659-L669 HydrophobicContact CB-CD2 4.02Å; A659-L669 HydrophobicContact CB-CG 3.68Å
660	G	90.4	Very high	91.1	Very high	5 Å²	5	22.6 Å²	22.6	5%	0.052	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-63.7	-17.9	174.5	0	0	0	0	0	115.6	S658 K698 N737	S658-G660 PolarHBondContact O-N 3.08Å; S658-G660 PolarHBondContact OG-N 3.26Å; G660-K698 VanDerWaalsContact O-CD 3.32Å; G660-K698 WeakPolarHBondContact O-CD 3.27Å; G660-K698 WeakPolarHBondContact O-CE 3.45Å; G660-K698 PolarHBondContact O-NZ 2.87Å; G660-N737 CarbonylContact C-O 3.56Å
661	S	93.6	Very high	90.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-80.3	-14.4	174.6	-76.9	0	0	0	0	113.8	S658 A659 K698 N737	S658-S661 WeakPolarHBondContact O-CB 3.3Å; S658-S661 PolarHBondContact O-N 2.83Å; A659-S661 PolarHBondContact O-N 2.9Å; S661-K698 PolarHBondContact O-N 3.11Å; S661-N737 VanDerWaalsContact CA-O 3.3Å; S661-N737 WeakPolarHBondContact CA-O 3.26Å; S661-N737 PolarHBondContact N-O 3.12Å; S661-N737 VanDerWaalsContact N-O 3.16Å; S661-N737 PolarHBondContact OG-O 3.08Å
662	F	93.4	Very high	90.7	Very high	10 Å²	10	22.8 Å²	22.8	4%	0.044	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-94.6	160.5	-175.5	-66.4	-93.7	0	0	0	112.5	L657 A659 H668 Y681 L697 K698	L657-F662 HydrophobicContact CB-CE2 4.01Å; L657-F662 HydrophobicContact CB-CZ 4.39Å; A659-F662 PolarHBondContact O-N 3.45Å; F662-H668 HydrophobicContact CD1-CB 4.28Å; F662-H668 HydrophobicContact CD2-CB 4.01Å; F662-H668 AromaticContact CD2-CG 3.75Å; F662-H668 AromaticContact CE1-ND1 3.89Å; F662-H668 HydrophobicContact CE2-CB 4.3Å; F662-H668 AromaticContact CE2-CD2 3.81Å; F662-H668 AromaticContact CE2-CE1 3.56Å; F662-H668 AromaticContact CE2-CG 3.59Å; F662-H668 AromaticContact CE2-ND1 3.43Å; F662-H668 WeakPolarHBondContact CE2-ND1 2.89Å; F662-H668 AromaticContact CE2-NE2 3.8Å; F662-H668 HydrophobicContact CG-CB 4.01Å; F662-H668 AromaticContact CZ-CE1 3.65Å; F662-H668 AromaticContact CZ-CG 3.91Å; F662-H668 AromaticContact CZ-ND1 3.34Å; F662-H668 VanDerWaalsContact CZ-ND1 3.34Å; F662-H668 WeakPolarHBondContact CZ-ND1 3.42Å; F662-Y681 HydrophobicContact CE1-CE1 4.11Å; F662-Y681 HydrophobicContact CE1-CE2 4.43Å; F662-Y681 AromaticContact CE1-CZ 3.85Å; F662-Y681 HydrophobicContact CZ-CE2 4.38Å; F662-L697 HydrophobicContact CD1-CD2 3.66Å; F662-L697 HydrophobicContact CD2-CD2 4.44Å; F662-L697 HydrophobicContact CE1-CD2 3.49Å; F662-L697 VanDerWaalsContact CE1-CD2 3.49Å; F662-L697 HydrophobicContact CE2-CD2 4.3Å; F662-L697 HydrophobicContact CG-CD2 4.15Å; F662-L697 HydrophobicContact CZ-CD2 3.84Å; F662-K698 WeakPolarHBondContact O-CE 3.36Å
663	S	90.9	Very high	90.6	Very high	61 Å²	61	23 Å²	23	43%	0.427	13%	0.132	S	C	.	.	S	Bend	trans	-82.5	-23.9	177.7	-54.9	0	0	0	0	113	G696	S663-G696 VanDerWaalsContact CB-O 3.25Å; S663-G696 WeakPolarHBondContact CB-O 3.48Å; S663-G696 PolarHBondContact N-O 3.45Å; S663-G696 PolarHBondContact OG-O 2.03Å
664	S	90.8	Very high	90.6	Very high	23 Å²	23	26.3 Å²	26.3	16%	0.161	15%	0.152	C	C	.	.			trans	-125.5	99.6	158.2	175.2	0	0	0	0	108.3	E494 Y666 E667	E494-S664 PolarHBondContact OE1-OG 3.48Å; E494-S664 WeakPolarHBondContact OE2-CA 3.41Å; E494-S664 WeakPolarHBondContact OE2-CB 3.33Å; E494-S664 PolarHBondContact OE2-OG 2.87Å; S664-Y666 PolarHBondContact O-N 2.87Å; S664-E667 PolarHBondContact O-N 3.06Å; S664-E667 PolarHBondContact OG-N 3.27Å
665	P	92.3	Very high	90.6	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.032	17%	0.171	C	C	.	.	H	α-helix	trans	-54	-34.9	169.2	-27.4	34.4	0	0	0	113.1	E494 Y498 A659 L669	E494-P665 HydrophobicContact CB-CB 4.37Å; E494-P665 HydrophobicContact CB-CG 4.29Å; E494-P665 VanDerWaalsContact OE2-CD 3.27Å; E494-P665 WeakPolarHBondContact OE2-CD 3.39Å; Y498-P665 HydrophobicContact CD1-CB 4.32Å; Y498-P665 HydrophobicContact CD1-CG 4.27Å; Y498-P665 HydrophobicContact CD2-CB 3.51Å; Y498-P665 HydrophobicContact CD2-CG 3.54Å; Y498-P665 HydrophobicContact CE1-CB 4.3Å; Y498-P665 HydrophobicContact CE2-CB 3.49Å; Y498-P665 VanDerWaalsContact CE2-CB 3.49Å; Y498-P665 HydrophobicContact CE2-CG 4.08Å; Y498-P665 HydrophobicContact CG-CB 3.93Å; Y498-P665 HydrophobicContact CG-CG 3.64Å; A659-P665 HydrophobicContact CB-CB 3.99Å; A659-P665 WeakPolarHBondContact O-CB 3.32Å; A659-P665 WeakPolarHBondContact O-CG 3.19Å; P665-L669 WeakPolarHBondContact O-CB 3.28Å; P665-L669 WeakPolarHBondContact O-CG 3.12Å; P665-L669 PolarHBondContact O-N 3.49Å; P665-L669 VanDerWaalsContact O-N 3.15Å
666	Y	89.3	Confident	90.5	Very high	23 Å²	23	40.2 Å²	40.2	9%	0.09	21%	0.207	C	C	.	.	H	α-helix	trans	-65.7	-41.7	179.8	176.9	-96.6	0	0	0	112.9	N488 A490 Y491 E494 S664 H668 L669 S670	N488-Y666 HydrophobicContact CB-CE2 3.97Å; N488-Y666 VanDerWaalsContact CG-CE2 3.43Å; N488-Y666 PolarHBondContact ND2-OH 3.32Å; A490-Y666 HydrophobicContact CB-CD2 3.8Å; A490-Y666 HydrophobicContact CB-CE2 4.22Å; Y491-Y666 AromaticContact CD2-CD1 3.59Å; Y491-Y666 HydrophobicContact CD2-CD1 3.59Å; Y491-Y666 HydrophobicContact CD2-CE1 4.31Å; Y491-Y666 HydrophobicContact CD2-CG 4.01Å; Y491-Y666 HydrophobicContact CG-CD1 4.15Å; Y491-Y666 HydrophobicContact CG-CG 4.41Å; E494-Y666 VanDerWaalsContact OE2-CB 3.3Å; E494-Y666 WeakPolarHBondContact OE2-CB 3.24Å; E494-Y666 PolarHBondContact OE2-N 3.28Å; S664-Y666 PolarHBondContact O-N 2.87Å; Y666-H668 PolarHBondContact O-N 2.91Å; Y666-L669 PolarHBondContact O-N 2.74Å; Y666-S670 WeakPolarHBondContact O-CB 3.27Å; Y666-S670 PolarHBondContact O-N 2.82Å; Y666-S670 PolarHBondContact O-OG 3.2Å
667	E	88.1	Confident	90.4	Very high	97 Å²	97	42.5 Å²	42.5	45%	0.453	22%	0.219	S	C	.	.	H	α-helix	trans	-64.9	-41.5	-177.5	-167.8	171.2	-168.3	0	0	111.8	S664 S670 Q671	S664-E667 PolarHBondContact O-N 3.06Å; S664-E667 PolarHBondContact OG-N 3.27Å; E667-S670 PolarHBondContact O-OG 3.21Å; E667-Q671 WeakPolarHBondContact O-CB 3.41Å; E667-Q671 PolarHBondContact O-N 2.92Å; E667-Q671 VanDerWaalsContact O-N 3.1Å; E667-Q671 PolarHBondContact OE1-NE2 3.38Å; E667-Q671 VanDerWaalsContact OE1-NE2 3.08Å
668	H	89.6	Confident	90.3	Very high	10 Å²	10	42.5 Å²	42.5	5%	0.046	22%	0.219	C	C	.	.	H	α-helix	trans	-64.6	-40.4	173.9	175.5	76.6	0	0	0	112.8	F662 Y666 E673 K750	F662-H668 HydrophobicContact CD1-CB 4.28Å; F662-H668 HydrophobicContact CD2-CB 4.01Å; F662-H668 AromaticContact CD2-CG 3.75Å; F662-H668 AromaticContact CE1-ND1 3.89Å; F662-H668 HydrophobicContact CE2-CB 4.3Å; F662-H668 AromaticContact CE2-CD2 3.81Å; F662-H668 AromaticContact CE2-CE1 3.56Å; F662-H668 AromaticContact CE2-CG 3.59Å; F662-H668 AromaticContact CE2-ND1 3.43Å; F662-H668 WeakPolarHBondContact CE2-ND1 2.89Å; F662-H668 AromaticContact CE2-NE2 3.8Å; F662-H668 HydrophobicContact CG-CB 4.01Å; F662-H668 AromaticContact CZ-CE1 3.65Å; F662-H668 AromaticContact CZ-CG 3.91Å; F662-H668 AromaticContact CZ-ND1 3.34Å; F662-H668 VanDerWaalsContact CZ-ND1 3.34Å; F662-H668 WeakPolarHBondContact CZ-ND1 3.42Å; Y666-H668 PolarHBondContact O-N 2.91Å; H668-E673 IonicContact CE1-OE1 3.52Å; H668-K750 PolarHBondContact O-NZ 3.44Å
669	L	88.5	Confident	90.2	Very high	6 Å²	6	46.8 Å²	46.8	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-75.9	-30.5	179.6	-71.5	174.3	0	0	0	113.6	Y498 Y526 A659 P665 Y666 K750 A751	Y498-L669 WeakPolarHBondContact OH-CD1 3.17Å; Y526-L669 HydrophobicContact CD1-CB 4.47Å; Y526-L669 HydrophobicContact CD1-CD1 4.02Å; Y526-L669 HydrophobicContact CD1-CD2 4.47Å; Y526-L669 HydrophobicContact CD2-CB 3.98Å; Y526-L669 HydrophobicContact CD2-CD1 4.36Å; Y526-L669 HydrophobicContact CE1-CB 4.23Å; Y526-L669 HydrophobicContact CE1-CD1 4.44Å; Y526-L669 HydrophobicContact CE1-CD2 4.16Å; Y526-L669 HydrophobicContact CE2-CB 3.7Å; Y526-L669 HydrophobicContact CG-CB 4.36Å; Y526-L669 HydrophobicContact CG-CD1 3.98Å; Y526-L669 PolarHBondContact OH-O 3.48Å; A659-L669 HydrophobicContact CB-CD1 3.63Å; A659-L669 HydrophobicContact CB-CD2 4.02Å; A659-L669 HydrophobicContact CB-CG 3.68Å; P665-L669 WeakPolarHBondContact O-CB 3.28Å; P665-L669 WeakPolarHBondContact O-CG 3.12Å; P665-L669 PolarHBondContact O-N 3.49Å; P665-L669 VanDerWaalsContact O-N 3.15Å; Y666-L669 PolarHBondContact O-N 2.74Å; L669-K750 WeakPolarHBondContact O-CE 3.07Å; L669-K750 PolarHBondContact O-NZ 2.03Å; L669-A751 HydrophobicContact CD2-CB 4.03Å
670	S	83.8	Confident	90.2	Very high	41 Å²	41	50.4 Å²	50.4	29%	0.287	25%	0.254	S	S	.	.	H	α-helix	trans	-80.5	-38.4	177.9	52.3	0	0	0	0	113.6	Y666 E667	Y666-S670 WeakPolarHBondContact O-CB 3.27Å; Y666-S670 PolarHBondContact O-N 2.82Å; Y666-S670 PolarHBondContact O-OG 3.2Å; E667-S670 PolarHBondContact O-OG 3.21Å
671	Q	83	Confident	90.3	Very high	83 Å²	83	50.9 Å²	50.9	39%	0.388	26%	0.255	S	S	.	.	S	Bend	trans	-89.3	142.5	-177.6	-61.2	-177.7	29.4	0	0	112.7	E667 K750	E667-Q671 WeakPolarHBondContact O-CB 3.41Å; E667-Q671 PolarHBondContact O-N 2.92Å; E667-Q671 VanDerWaalsContact O-N 3.1Å; E667-Q671 PolarHBondContact OE1-NE2 3.38Å; E667-Q671 VanDerWaalsContact OE1-NE2 3.08Å; Q671-K750 PolarHBondContact O-NZ 2.04Å
672	P	85.2	Confident	90.2	Very high	102 Å²	102	52.2 Å²	52.2	66%	0.662	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-72.8	132.9	168.2	30.6	-32.9	0	0	0	110.1	T674	P672-T674 PolarHBondContact O-N 2.95Å
673	E	89.1	Confident	90	Very high	11 Å²	11	53.4 Å²	53.4	5%	0.051	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-67.1	133.4	175.7	-45.8	171.7	94	0	0	110.4	R631 L634 H668 V678	R631-E673 VanDerWaalsContact CD-OE2 3.25Å; R631-E673 WeakPolarHBondContact CD-OE2 3.22Å; R631-E673 VanDerWaalsContact CG-OE2 3.28Å; R631-E673 WeakPolarHBondContact CG-OE2 3.41Å; R631-E673 IonicContact CZ-OE2 3.1Å; R631-E673 IonicContact NE-OE2 3.32Å; R631-E673 IonicContact NH1-OE2 2.73Å; R631-E673 PolarHBondContact NH1-OE2 2.72Å; L634-E673 WeakPolarHBondContact CD1-O 3.43Å; H668-E673 IonicContact CE1-OE1 3.52Å; E673-V678 HydrophobicContact CB-CG2 4.33Å
674	T	91.6	Very high	90	Very high	69 Å²	69	52 Å²	52	42%	0.423	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-102.2	157.9	175.5	66.5	0	0	0	0	111.2	P672 R676 M677 V678	P672-T674 PolarHBondContact O-N 2.95Å; T674-R676 PolarHBondContact O-N 3.48Å; T674-R676 VanDerWaalsContact O-N 3.14Å; T674-M677 HydrophobicContact CG2-SD 4.08Å; T674-M677 PolarHBondContact N-SD 3.09Å; T674-M677 VanDerWaalsContact N-SD 3.43Å; T674-M677 WeakPolarHBondContact O-CB 3.36Å; T674-M677 PolarHBondContact O-N 3.37Å; T674-M677 WeakPolarHBondContact OG1-CG 3.48Å; T674-M677 PolarHBondContact OG1-N 3.01Å; T674-M677 PolarHBondContact OG1-SD 2.81Å; T674-V678 PolarHBondContact O-N 3.41Å; T674-V678 VanDerWaalsContact O-N 3.07Å
675	K	92.7	Very high	90	Very high	90 Å²	90	51 Å²	51	39%	0.391	25%	0.253	S	S	.	.	H	α-helix	trans	-49.8	-43.1	177.2	-174.6	-179.2	-176.2	113.6	0	112.2	L634 L635 M677 V678 E679	L634-K675 HydrophobicContact CB-CB 4.29Å; L634-K675 VanDerWaalsContact O-CD 3.32Å; L634-K675 WeakPolarHBondContact O-CD 3.13Å; L634-K675 WeakPolarHBondContact O-CE 3.16Å; L634-K675 WeakPolarHBondContact O-CG 3.32Å; L634-K675 PolarHBondContact O-NZ 2.83Å; L635-K675 PolarHBondContact O-NZ 3.33Å; K675-M677 VanDerWaalsContact C-N 3.35Å; K675-M677 PolarHBondContact O-N 3.46Å; K675-V678 PolarHBondContact O-N 2.83Å; K675-E679 WeakPolarHBondContact CE-OE1 3.24Å; K675-E679 HydrophobicContact CG-CG 4.34Å; K675-E679 WeakPolarHBondContact O-CB 3.46Å; K675-E679 VanDerWaalsContact O-CG 3.3Å; K675-E679 WeakPolarHBondContact O-CG 3.5Å; K675-E679 PolarHBondContact O-N 3.45Å
676	R	92.8	Very high	89.7	Confident	203 Å²	203	53.2 Å²	53.2	77%	0.766	27%	0.269	S	S	*	.	H	α-helix	trans	-63.9	-34.2	178.4	-172.8	178.8	179.2	-172.4	-0.3	113.4	T674 H680	T674-R676 PolarHBondContact O-N 3.48Å; T674-R676 VanDerWaalsContact O-N 3.14Å; R676-H680 WeakPolarHBondContact O-CB 3.15Å; R676-H680 PolarHBondContact O-N 2.57Å; R676-H680 VanDerWaalsContact O-N 3.1Å
677	M	92.1	Very high	89.5	Confident	48 Å²	48	53 Å²	53	24%	0.236	27%	0.269	C	S	.	.	H	α-helix	trans	-69.2	-47	174.2	-66.9	158	70.3	0	0	110.4	T674 K675 E679 H680 Y681	T674-M677 HydrophobicContact CG2-SD 4.08Å; T674-M677 PolarHBondContact N-SD 3.09Å; T674-M677 VanDerWaalsContact N-SD 3.43Å; T674-M677 WeakPolarHBondContact O-CB 3.36Å; T674-M677 PolarHBondContact O-N 3.37Å; T674-M677 WeakPolarHBondContact OG1-CG 3.48Å; T674-M677 PolarHBondContact OG1-N 3.01Å; T674-M677 PolarHBondContact OG1-SD 2.81Å; K675-M677 VanDerWaalsContact C-N 3.35Å; K675-M677 PolarHBondContact O-N 3.46Å; M677-E679 PolarHBondContact O-N 2.84Å; M677-H680 WeakPolarHBondContact O-CB 3.46Å; M677-H680 PolarHBondContact O-N 2.75Å; M677-H680 VanDerWaalsContact O-N 3.1Å; M677-Y681 HydrophobicContact CB-CE2 4.3Å; M677-Y681 VanDerWaalsContact O-CG 3.22Å; M677-Y681 PolarHBondContact O-N 3.1Å
678	V	92.7	Very high	89	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.8	-41.9	178	174.8	0	0	0	0	112	Y629 R631 L634 L635 E673 T674 K675 H680 Y681 T682	Y629-V678 HydrophobicContact CD1-CB 4.43Å; Y629-V678 HydrophobicContact CD1-CG1 3.63Å; Y629-V678 HydrophobicContact CD1-CG2 4.17Å; Y629-V678 HydrophobicContact CE1-CG1 4.46Å; Y629-V678 HydrophobicContact CE1-CG2 4.28Å; Y629-V678 HydrophobicContact CG-CG1 4.1Å; R631-V678 HydrophobicContact CB-CG1 4.17Å; R631-V678 HydrophobicContact CB-CG2 3.9Å; R631-V678 HydrophobicContact CG-CG2 3.96Å; L634-V678 HydrophobicContact CD1-CG2 3.99Å; L635-V678 HydrophobicContact CD1-CG1 3.87Å; L635-V678 HydrophobicContact CD2-CG1 3.92Å; L635-V678 HydrophobicContact CG-CG1 3.85Å; E673-V678 HydrophobicContact CB-CG2 4.33Å; T674-V678 PolarHBondContact O-N 3.41Å; T674-V678 VanDerWaalsContact O-N 3.07Å; K675-V678 PolarHBondContact O-N 2.83Å; V678-H680 VanDerWaalsContact C-N 3.34Å; V678-H680 PolarHBondContact O-N 3.05Å; V678-Y681 PolarHBondContact O-N 3.26Å; V678-T682 VanDerWaalsContact O-CB 3.3Å; V678-T682 WeakPolarHBondContact O-CB 3.3Å; V678-T682 PolarHBondContact O-N 3.41Å; V678-T682 PolarHBondContact O-OG1 3.37Å
679	E	91.8	Very high	88.6	Confident	91 Å²	91	55.6 Å²	55.6	43%	0.425	29%	0.29	S	S	.	.	H	α-helix	trans	-60.7	-41.8	172.6	-74.3	168.8	168.7	0	0	111.4	L635 K675 M677 T682 A683	L635-E679 HydrophobicContact CD2-CG 4.05Å; K675-E679 WeakPolarHBondContact CE-OE1 3.24Å; K675-E679 HydrophobicContact CG-CG 4.34Å; K675-E679 WeakPolarHBondContact O-CB 3.46Å; K675-E679 VanDerWaalsContact O-CG 3.3Å; K675-E679 WeakPolarHBondContact O-CG 3.5Å; K675-E679 PolarHBondContact O-N 3.45Å; M677-E679 PolarHBondContact O-N 2.84Å; E679-T682 PolarHBondContact O-N 2.73Å; E679-A683 VanDerWaalsContact O-CB 3.31Å; E679-A683 WeakPolarHBondContact O-CB 3.32Å; E679-A683 PolarHBondContact O-N 3.22Å
680	H	92.4	Very high	88.2	Confident	80 Å²	80	60 Å²	60	37%	0.37	31%	0.306	S	S	.	.	H	α-helix	trans	-68.4	-41.2	177.5	-171.1	9.4	0	0	0	112.9	R676 M677 V678 A683 Y684 A693	R676-H680 WeakPolarHBondContact O-CB 3.15Å; R676-H680 PolarHBondContact O-N 2.57Å; R676-H680 VanDerWaalsContact O-N 3.1Å; M677-H680 WeakPolarHBondContact O-CB 3.46Å; M677-H680 PolarHBondContact O-N 2.75Å; M677-H680 VanDerWaalsContact O-N 3.1Å; V678-H680 VanDerWaalsContact C-N 3.34Å; V678-H680 PolarHBondContact O-N 3.05Å; H680-A683 PolarHBondContact O-N 3.03Å; H680-Y684 WeakPolarHBondContact O-CB 3.42Å; H680-Y684 PolarHBondContact O-N 3.45Å; H680-A693 PolarHBondContact CE1-O 2.82Å
681	Y	92.3	Very high	88.3	Confident	16 Å²	16	65.2 Å²	65.2	6%	0.063	33%	0.33	C	S	.	.	H	α-helix	trans	-58.9	-50.4	171.5	-59.7	-25.5	0	0	0	110.5	Y629 F662 M677 V678 A683 Y684 L685 P695	Y629-Y681 HydrophobicContact CE1-CD2 4.19Å; Y629-Y681 HydrophobicContact CE2-CD2 4.47Å; Y629-Y681 AromaticContact CZ-CD2 3.93Å; F662-Y681 HydrophobicContact CE1-CE1 4.11Å; F662-Y681 HydrophobicContact CE1-CE2 4.43Å; F662-Y681 AromaticContact CE1-CZ 3.85Å; F662-Y681 HydrophobicContact CZ-CE2 4.38Å; M677-Y681 HydrophobicContact CB-CE2 4.3Å; M677-Y681 VanDerWaalsContact O-CG 3.22Å; M677-Y681 PolarHBondContact O-N 3.1Å; V678-Y681 PolarHBondContact O-N 3.26Å; Y681-A683 VanDerWaalsContact C-N 3.32Å; Y681-A683 PolarHBondContact O-N 3.06Å; Y681-Y684 PolarHBondContact O-N 3.19Å; Y681-L685 WeakPolarHBondContact O-CB 3.48Å; Y681-L685 VanDerWaalsContact O-CG 3.24Å; Y681-L685 WeakPolarHBondContact O-CG 2.99Å; Y681-L685 PolarHBondContact O-N 3.09Å; Y681-P695 HydrophobicContact CD1-CB 3.81Å; Y681-P695 HydrophobicContact CD1-CG 3.7Å; Y681-P695 HydrophobicContact CE1-CB 3.98Å; Y681-P695 HydrophobicContact CE1-CG 4.26Å
682	T	91.1	Very high	88.4	Confident	28 Å²	28	64.1 Å²	64.1	17%	0.172	33%	0.326	C	S	.	.	H	α-helix	trans	-58.5	-43.9	179.4	-57.5	0	0	0	0	111.1	L627 V678 E679 S686	L627-T682 HydrophobicContact CD2-CG2 4.01Å; V678-T682 VanDerWaalsContact O-CB 3.3Å; V678-T682 WeakPolarHBondContact O-CB 3.3Å; V678-T682 PolarHBondContact O-N 3.41Å; V678-T682 PolarHBondContact O-OG1 3.37Å; E679-T682 PolarHBondContact O-N 2.73Å; T682-S686 WeakPolarHBondContact O-CB 3.44Å; T682-S686 PolarHBondContact O-N 3.14Å; T682-S686 VanDerWaalsContact O-N 3.08Å; T682-S686 PolarHBondContact O-OG 3.33Å
683	A	90.1	Very high	88.6	Confident	35 Å²	35	62.7 Å²	62.7	29%	0.289	32%	0.323	S	S	.	.	H	α-helix	trans	-64.8	-47.3	178.2	0	0	0	0	0	111.9	E679 H680 Y681 L685 S686 D687 I692	E679-A683 VanDerWaalsContact O-CB 3.31Å; E679-A683 WeakPolarHBondContact O-CB 3.32Å; E679-A683 PolarHBondContact O-N 3.22Å; H680-A683 PolarHBondContact O-N 3.03Å; Y681-A683 VanDerWaalsContact C-N 3.32Å; Y681-A683 PolarHBondContact O-N 3.06Å; A683-L685 VanDerWaalsContact C-N 3.35Å; A683-L685 PolarHBondContact O-N 3.33Å; A683-S686 PolarHBondContact O-N 2.64Å; A683-S686 PolarHBondContact O-OG 3.23Å; A683-D687 VanDerWaalsContact O-CB 3.29Å; A683-D687 WeakPolarHBondContact O-CB 2.98Å; A683-D687 PolarHBondContact O-N 3.01Å; A683-I692 HydrophobicContact CB-CD1 3.79Å
684	Y	91.3	Very high	88.7	Confident	30 Å²	30	65.6 Å²	65.6	12%	0.118	34%	0.339	C	S	.	.	H	α-helix	trans	-63	-39.2	178.9	173.6	-103.9	0	0	0	112.9	H680 Y681 I692 N694 P695 L697 R702	H680-Y684 WeakPolarHBondContact O-CB 3.42Å; H680-Y684 PolarHBondContact O-N 3.45Å; Y681-Y684 PolarHBondContact O-N 3.19Å; Y684-I692 HydrophobicContact CD2-CB 4.47Å; Y684-I692 HydrophobicContact CD2-CG2 4.27Å; Y684-I692 WeakPolarHBondContact CD2-O 3.17Å; Y684-N694 HydrophobicContact CE2-CB 3.91Å; Y684-P695 VanDerWaalsContact CD1-CD 3.47Å; Y684-P695 HydrophobicContact CD1-CG 4.09Å; Y684-P695 HydrophobicContact CG-CG 4.12Å; Y684-L697 HydrophobicContact CD1-CD1 4.02Å; Y684-L697 HydrophobicContact CE1-CD1 4.14Å; Y684-R702 HydrophobicContact CE1-CB 4.03Å; Y684-R702 HydrophobicContact CE1-CG 4.34Å; Y684-R702 WeakPolarHBondContact O-CD 3.45Å; Y684-R702 PolarHBondContact O-NE 2.75Å
685	L	90.1	Very high	88.7	Confident	3 Å²	3	63.5 Å²	63.5	2%	0.016	33%	0.326	C	S	.	.	H	α-helix	trans	-74.3	-24.3	179.6	-65.8	171.1	0	0	0	113.6	L627 L657 Y681 A683 L697 R702 V705	L627-L685 HydrophobicContact CD1-CB 3.76Å; L657-L685 HydrophobicContact CD1-CD1 4.2Å; Y681-L685 WeakPolarHBondContact O-CB 3.48Å; Y681-L685 VanDerWaalsContact O-CG 3.24Å; Y681-L685 WeakPolarHBondContact O-CG 2.99Å; Y681-L685 PolarHBondContact O-N 3.09Å; A683-L685 VanDerWaalsContact C-N 3.35Å; A683-L685 PolarHBondContact O-N 3.33Å; L685-L697 HydrophobicContact CD2-CD1 4.02Å; L685-L697 HydrophobicContact CG-CD1 4.48Å; L685-R702 HydrophobicContact CD2-CB 4.28Å; L685-R702 HydrophobicContact CD2-CG 4.38Å; L685-V705 HydrophobicContact CB-CG1 4.37Å; L685-V705 HydrophobicContact CD1-CG1 4.44Å; L685-V705 HydrophobicContact CD2-CB 4.2Å; L685-V705 HydrophobicContact CD2-CG1 4.29Å; L685-V705 HydrophobicContact CD2-CG2 4.02Å
686	S	85.9	Confident	88.7	Confident	52 Å²	52	60.8 Å²	60.8	36%	0.364	32%	0.324	S	S	.	.	H	α-helix	trans	-100.3	-14.1	177.6	58.9	0	0	0	0	114.6	T682 A683 N688	T682-S686 WeakPolarHBondContact O-CB 3.44Å; T682-S686 PolarHBondContact O-N 3.14Å; T682-S686 VanDerWaalsContact O-N 3.08Å; T682-S686 PolarHBondContact O-OG 3.33Å; A683-S686 PolarHBondContact O-N 2.64Å; A683-S686 PolarHBondContact O-OG 3.23Å; S686-N688 PolarHBondContact O-N 3.01Å; S686-N688 VanDerWaalsContact O-N 3.14Å
687	D	85.1	Confident	88.7	Confident	19 Å²	19	51.2 Å²	51.2	10%	0.102	29%	0.288	C	S	.	.			trans	-65.6	109	175.6	173.5	32.5	0	0	0	111.8	A683 T689 R690 L691 I692 R702	A683-D687 VanDerWaalsContact O-CB 3.29Å; A683-D687 WeakPolarHBondContact O-CB 2.98Å; A683-D687 PolarHBondContact O-N 3.01Å; D687-T689 VanDerWaalsContact CG-OG1 3.31Å; D687-T689 WeakPolarHBondContact OD1-CA 3.31Å; D687-T689 VanDerWaalsContact OD1-CB 3.28Å; D687-T689 WeakPolarHBondContact OD1-CB 3.48Å; D687-T689 PolarHBondContact OD1-N 2.84Å; D687-T689 PolarHBondContact OD1-OG1 2.85Å; D687-T689 PolarHBondContact OD2-OG1 2.8Å; D687-R690 VanDerWaalsContact OD2-CA 3.32Å; D687-R690 WeakPolarHBondContact OD2-CA 3.27Å; D687-R690 PolarHBondContact OD2-N 3.05Å; D687-L691 PolarHBondContact OD2-N 3.18Å; D687-I692 HydrophobicContact CB-CB 4.26Å; D687-I692 HydrophobicContact CB-CD1 3.84Å; D687-I692 HydrophobicContact CB-CG1 3.96Å; D687-I692 PolarHBondContact OD2-N 3.4Å; D687-R702 PolarHBondContact O-NH2 3.11Å
688	N	77.7	Confident	88.6	Confident	70 Å²	70	51.3 Å²	51.3	37%	0.374	29%	0.287	S	S	.	.	S	Bend	trans	-78.3	-17.8	172.7	-72	-35.5	0	0	0	113.7	S686	S686-N688 PolarHBondContact O-N 3.01Å; S686-N688 VanDerWaalsContact O-N 3.14Å
689	T	80.6	Confident	88.2	Confident	91 Å²	91	58.1 Å²	58.1	56%	0.558	32%	0.317	S	S	*	.	S	Bend	trans	-77.8	-21.4	-176.7	73.3	0	0	0	0	113.4	D687 L691	D687-T689 VanDerWaalsContact CG-OG1 3.31Å; D687-T689 WeakPolarHBondContact OD1-CA 3.31Å; D687-T689 VanDerWaalsContact OD1-CB 3.28Å; D687-T689 WeakPolarHBondContact OD1-CB 3.48Å; D687-T689 PolarHBondContact OD1-N 2.84Å; D687-T689 PolarHBondContact OD1-OG1 2.85Å; D687-T689 PolarHBondContact OD2-OG1 2.8Å; T689-L691 PolarHBondContact O-N 2.91Å; T689-L691 WeakPolarHBondContact OG1-CB 3.29Å; T689-L691 WeakPolarHBondContact OG1-CG 3.35Å; T689-L691 PolarHBondContact OG1-N 3.19Å
690	R	81.5	Confident	87.9	Confident	97 Å²	97	54.4 Å²	54.4	37%	0.366	30%	0.301	S	S	.	.	S	Bend	trans	63.4	27.1	-175.4	-52.6	170.4	173.5	-103.2	-3.8	112.9	N618 L619 N620 D687	N618-R690 PolarHBondContact OD1-NH1 3.01Å; L619-R690 PolarHBondContact O-NH2 3.24Å; N620-R690 PolarHBondContact OD1-NE 2.58Å; N620-R690 PolarHBondContact OD1-NH2 2.97Å; D687-R690 VanDerWaalsContact OD2-CA 3.32Å; D687-R690 WeakPolarHBondContact OD2-CA 3.27Å; D687-R690 PolarHBondContact OD2-N 3.05Å
691	L	84.6	Confident	87.9	Confident	151 Å²	151	50.6 Å²	50.6	79%	0.791	28%	0.283	S	S	*	.			trans	-94	-20.3	177.6	-63	176.2	0	0	0	112.4	D687 T689	D687-L691 PolarHBondContact OD2-N 3.18Å; T689-L691 PolarHBondContact O-N 2.91Å; T689-L691 WeakPolarHBondContact OG1-CB 3.29Å; T689-L691 WeakPolarHBondContact OG1-CG 3.35Å; T689-L691 PolarHBondContact OG1-N 3.19Å
692	I	86.2	Confident	87.8	Confident	60 Å²	60	50.3 Å²	50.3	31%	0.308	28%	0.282	S	S	.	.	S	Bend	trans	-74.8	129.8	175.4	-60.2	-169.8	0	0	0	110	A683 Y684 D687	A683-I692 HydrophobicContact CB-CD1 3.79Å; Y684-I692 HydrophobicContact CD2-CB 4.47Å; Y684-I692 HydrophobicContact CD2-CG2 4.27Å; Y684-I692 WeakPolarHBondContact CD2-O 3.17Å; D687-I692 HydrophobicContact CB-CB 4.26Å; D687-I692 HydrophobicContact CB-CD1 3.84Å; D687-I692 HydrophobicContact CB-CG1 3.96Å; D687-I692 PolarHBondContact OD2-N 3.4Å
693	A	89.9	Confident	87.6	Confident	72 Å²	72	49.3 Å²	49.3	60%	0.595	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-61.6	143	176.7	0	0	0	0	0	111.6	H680 P695	H680-A693 PolarHBondContact CE1-O 2.82Å; A693-P695 WeakPolarHBondContact O-CD 3.21Å
694	N	91.1	Very high	87.6	Confident	73 Å²	73	48.6 Å²	48.6	39%	0.39	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-68.3	119.7	179.3	178.6	5.5	0	0	0	110.8	Y684 G696 L697	Y684-N694 HydrophobicContact CE2-CB 3.91Å; N694-G696 PolarHBondContact O-N 2.85Å; N694-G696 PolarHBondContact OD1-N 2.8Å; N694-L697 PolarHBondContact ND2-O 2.88Å; N694-L697 PolarHBondContact OD1-N 3.34Å; N694-L697 PolarHBondContact OD1-O 3.04Å
695	P	91.4	Very high	87.6	Confident	24 Å²	24	47.2 Å²	47.2	16%	0.156	26%	0.261	C	S	.	.			trans	-80.7	38.9	-176.8	36.1	-38	0	0	0	113	Y681 Y684 A693 L697	Y681-P695 HydrophobicContact CD1-CB 3.81Å; Y681-P695 HydrophobicContact CD1-CG 3.7Å; Y681-P695 HydrophobicContact CE1-CB 3.98Å; Y681-P695 HydrophobicContact CE1-CG 4.26Å; Y684-P695 VanDerWaalsContact CD1-CD 3.47Å; Y684-P695 HydrophobicContact CD1-CG 4.09Å; Y684-P695 HydrophobicContact CG-CG 4.12Å; A693-P695 WeakPolarHBondContact O-CD 3.21Å; P695-L697 HydrophobicContact CG-CD1 4.38Å; P695-L697 HydrophobicContact CG-CG 4.41Å
696	G	91.7	Very high	87.5	Confident	34 Å²	34	47.3 Å²	47.3	35%	0.351	26%	0.262	S	S	.	.	S	Bend	trans	89	9.4	178.3	0	0	0	0	0	116.4	S663 N694	S663-G696 VanDerWaalsContact CB-O 3.25Å; S663-G696 WeakPolarHBondContact CB-O 3.48Å; S663-G696 PolarHBondContact N-O 3.45Å; S663-G696 PolarHBondContact OG-O 2.03Å; N694-G696 PolarHBondContact O-N 2.85Å; N694-G696 PolarHBondContact OD1-N 2.8Å
697	L	93.1	Very high	87.7	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.01	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-79.1	153	178.9	-62.8	175.8	0	0	0	112.8	L657 F662 Y684 L685 N694 P695 V701	L657-L697 HydrophobicContact CD1-CD1 3.94Å; L657-L697 HydrophobicContact CD1-CD2 3.71Å; F662-L697 HydrophobicContact CD1-CD2 3.66Å; F662-L697 HydrophobicContact CD2-CD2 4.44Å; F662-L697 HydrophobicContact CE1-CD2 3.49Å; F662-L697 VanDerWaalsContact CE1-CD2 3.49Å; F662-L697 HydrophobicContact CE2-CD2 4.3Å; F662-L697 HydrophobicContact CG-CD2 4.15Å; F662-L697 HydrophobicContact CZ-CD2 3.84Å; Y684-L697 HydrophobicContact CD1-CD1 4.02Å; Y684-L697 HydrophobicContact CE1-CD1 4.14Å; L685-L697 HydrophobicContact CD2-CD1 4.02Å; L685-L697 HydrophobicContact CG-CD1 4.48Å; N694-L697 PolarHBondContact ND2-O 2.88Å; N694-L697 PolarHBondContact OD1-N 3.34Å; N694-L697 PolarHBondContact OD1-O 3.04Å; P695-L697 HydrophobicContact CG-CD1 4.38Å; P695-L697 HydrophobicContact CG-CG 4.41Å; L697-V701 HydrophobicContact CD1-CG1 4.17Å
698	K	90.7	Very high	88	Confident	49 Å²	49	44 Å²	44	21%	0.213	24%	0.24	C	C	.	.			trans	-62.7	141.6	167.6	-70.1	177.8	178.5	173.1	0	109.9	Y498 G660 S661 F662 S700 V701	Y498-K698 PolarHBondContact O-NZ 2.88Å; G660-K698 VanDerWaalsContact O-CD 3.32Å; G660-K698 WeakPolarHBondContact O-CD 3.27Å; G660-K698 WeakPolarHBondContact O-CE 3.45Å; G660-K698 PolarHBondContact O-NZ 2.87Å; S661-K698 PolarHBondContact O-N 3.11Å; F662-K698 WeakPolarHBondContact O-CE 3.36Å; K698-S700 PolarHBondContact O-N 2.84Å; K698-S700 VanDerWaalsContact O-N 3.09Å; K698-V701 HydrophobicContact CB-CG2 4.04Å; K698-V701 WeakPolarHBondContact O-CB 3.49Å; K698-V701 PolarHBondContact O-N 2.97Å; K698-V701 VanDerWaalsContact O-N 3.09Å
699	F	84.5	Confident	88.6	Confident	144 Å²	144	40.9 Å²	40.9	63%	0.632	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-24.7	-170.7	70.3	-89.5	0	0	0	114.8
700	S	85.6	Confident	89	Confident	12 Å²	12	39 Å²	39	8%	0.084	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-33.7	177.7	53.4	0	0	0	0	113.2	K698 R702 N703 E704 N737	K698-S700 PolarHBondContact O-N 2.84Å; K698-S700 VanDerWaalsContact O-N 3.09Å; S700-R702 VanDerWaalsContact C-N 3.32Å; S700-R702 PolarHBondContact O-N 3.34Å; S700-N703 PolarHBondContact O-N 2.83Å; S700-E704 VanDerWaalsContact CB-OE1 3.31Å; S700-E704 WeakPolarHBondContact CB-OE1 3.43Å; S700-E704 PolarHBondContact O-N 3.27Å; S700-E704 PolarHBondContact OG-OE1 3.42Å; S700-N737 PolarHBondContact OG-ND2 3.01Å
701	V	90.9	Very high	89.4	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-55	-42.1	-169.9	168.4	0	0	0	0	112.5	L657 L697 K698 N703 E704 V705 N737 V739	L657-V701 HydrophobicContact CD1-CG1 4.17Å; L657-V701 HydrophobicContact CD2-CG1 3.7Å; L697-V701 HydrophobicContact CD1-CG1 4.17Å; K698-V701 HydrophobicContact CB-CG2 4.04Å; K698-V701 WeakPolarHBondContact O-CB 3.49Å; K698-V701 PolarHBondContact O-N 2.97Å; K698-V701 VanDerWaalsContact O-N 3.09Å; V701-N703 PolarHBondContact O-N 3.22Å; V701-E704 PolarHBondContact O-N 3.15Å; V701-V705 HydrophobicContact CG1-CG2 4.22Å; V701-V705 WeakPolarHBondContact O-CG2 3.28Å; V701-V705 PolarHBondContact O-N 3.3Å; V701-N737 HydrophobicContact CG2-CB 4.35Å; V701-V739 HydrophobicContact CB-CG2 4.45Å; V701-V739 HydrophobicContact CG1-CG2 3.95Å; V701-V739 HydrophobicContact CG2-CG2 4.43Å
702	R	89.8	Confident	89.6	Confident	10 Å²	10	27.4 Å²	27.4	4%	0.038	16%	0.155	C	C	.	.	H	α-helix	trans	-64.4	-39.7	178.8	-174.2	174.9	158.9	-70	-4.2	112.2	Y684 L685 D687 S700 E704 M706	Y684-R702 HydrophobicContact CE1-CB 4.03Å; Y684-R702 HydrophobicContact CE1-CG 4.34Å; Y684-R702 WeakPolarHBondContact O-CD 3.45Å; Y684-R702 PolarHBondContact O-NE 2.75Å; L685-R702 HydrophobicContact CD2-CB 4.28Å; L685-R702 HydrophobicContact CD2-CG 4.38Å; D687-R702 PolarHBondContact O-NH2 3.11Å; S700-R702 VanDerWaalsContact C-N 3.32Å; S700-R702 PolarHBondContact O-N 3.34Å; R702-E704 VanDerWaalsContact C-N 3.33Å; R702-M706 HydrophobicContact CG-SD 4.47Å; R702-M706 VanDerWaalsContact O-CG 3.25Å; R702-M706 WeakPolarHBondContact O-CG 3.33Å; R702-M706 PolarHBondContact O-N 3.01Å
703	N	88.4	Confident	89.7	Confident	8 Å²	8	28 Å²	28	4%	0.043	16%	0.158	C	C	.	.	H	α-helix	trans	-68.8	-33.5	175.3	-65	-27	0	0	0	111.3	L616 N618 L619 S700 V701 A707	L616-N703 HydrophobicContact CB-CB 4.03Å; L616-N703 PolarHBondContact O-ND2 2.85Å; N618-N703 PolarHBondContact N-ND2 3.25Å; L619-N703 PolarHBondContact N-OD1 3.28Å; S700-N703 PolarHBondContact O-N 2.83Å; V701-N703 PolarHBondContact O-N 3.22Å; N703-A707 VanDerWaalsContact O-CB 3.3Å; N703-A707 WeakPolarHBondContact O-CB 3.13Å; N703-A707 PolarHBondContact O-N 2.94Å
704	E	89.6	Confident	89.7	Confident	20 Å²	20	27.2 Å²	27.2	9%	0.093	14%	0.143	C	C	.	.	H	α-helix	trans	-72.1	-40.7	177.4	-74	172.6	-142	0	0	113.2	L616 S700 V701 R702 M706 A707 T708 T735 N737 V739	L616-E704 HydrophobicContact CD1-CG 4.19Å; S700-E704 VanDerWaalsContact CB-OE1 3.31Å; S700-E704 WeakPolarHBondContact CB-OE1 3.43Å; S700-E704 PolarHBondContact O-N 3.27Å; S700-E704 PolarHBondContact OG-OE1 3.42Å; V701-E704 PolarHBondContact O-N 3.15Å; R702-E704 VanDerWaalsContact C-N 3.33Å; E704-M706 VanDerWaalsContact C-N 3.3Å; E704-M706 PolarHBondContact O-N 3.3Å; E704-A707 PolarHBondContact O-N 2.9Å; E704-T708 WeakPolarHBondContact O-CG2 3.35Å; E704-T708 PolarHBondContact O-N 2.87Å; E704-T708 PolarHBondContact O-OG1 3.4Å; E704-T735 HydrophobicContact CB-CG2 4.13Å; E704-T735 HydrophobicContact CG-CG2 4.31Å; E704-T735 WeakPolarHBondContact OE2-CB 3.41Å; E704-T735 PolarHBondContact OE2-OG1 2.85Å; E704-N737 PolarHBondContact OE1-ND2 3.02Å; E704-V739 HydrophobicContact CB-CG2 3.95Å
705	V	91.7	Very high	89.8	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-61.7	-38.3	172.7	170.1	0	0	0	0	111.3	L627 V655 L657 L685 V701 T708 S709 V739 R741	L627-V705 HydrophobicContact CD1-CG1 3.6Å; V655-V705 HydrophobicContact CG1-CG1 4.34Å; V655-V705 HydrophobicContact CG1-CG2 4.05Å; V655-V705 HydrophobicContact CG2-CG1 4.36Å; L657-V705 HydrophobicContact CD2-CG2 4.02Å; L685-V705 HydrophobicContact CB-CG1 4.37Å; L685-V705 HydrophobicContact CD1-CG1 4.44Å; L685-V705 HydrophobicContact CD2-CB 4.2Å; L685-V705 HydrophobicContact CD2-CG1 4.29Å; L685-V705 HydrophobicContact CD2-CG2 4.02Å; V701-V705 HydrophobicContact CG1-CG2 4.22Å; V701-V705 WeakPolarHBondContact O-CG2 3.28Å; V701-V705 PolarHBondContact O-N 3.3Å; V705-T708 PolarHBondContact O-OG1 3.37Å; V705-T708 VanDerWaalsContact O-OG1 3.1Å; V705-S709 PolarHBondContact O-N 2.53Å; V705-V739 HydrophobicContact CG2-CG1 3.56Å; V705-V739 HydrophobicContact CG2-CG2 4.09Å; V705-R741 PolarHBondContact O-NH2 2.77Å
706	M	88.5	Confident	89.7	Confident	5 Å²	5	25 Å²	25	3%	0.025	13%	0.128	C	C	.	.	H	α-helix	trans	-68.6	-48.1	172.8	-68.2	173.3	79.3	0	0	111.6	L619 T621 R702 E704 T708 S709	L619-M706 HydrophobicContact CB-CE 4.27Å; L619-M706 HydrophobicContact CB-SD 4.44Å; L619-M706 HydrophobicContact CD1-CB 4.33Å; T621-M706 WeakPolarHBondContact O-CE 3.35Å; R702-M706 HydrophobicContact CG-SD 4.47Å; R702-M706 VanDerWaalsContact O-CG 3.25Å; R702-M706 WeakPolarHBondContact O-CG 3.33Å; R702-M706 PolarHBondContact O-N 3.01Å; E704-M706 VanDerWaalsContact C-N 3.3Å; E704-M706 PolarHBondContact O-N 3.3Å; M706-T708 VanDerWaalsContact C-N 3.34Å; M706-T708 PolarHBondContact O-N 3.42Å; M706-S709 WeakPolarHBondContact O-CB 3.42Å; M706-S709 PolarHBondContact O-N 2.87Å; M706-S709 PolarHBondContact O-OG 3.29Å
707	A	88.9	Confident	89.7	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-57.4	-45.1	179.4	0	0	0	0	0	112.4	M65 F69 F72 L616 L619 N703 E704 S709	M65-A707 WeakPolarHBondContact CE-O 3.21Å; F69-A707 HydrophobicContact CE1-CB 4.2Å; F69-A707 HydrophobicContact CZ-CB 4.22Å; F72-A707 HydrophobicContact CD2-CB 4.36Å; F72-A707 HydrophobicContact CE2-CB 3.63Å; F72-A707 HydrophobicContact CZ-CB 4.15Å; L616-A707 HydrophobicContact CD1-CB 3.64Å; L619-A707 HydrophobicContact CD1-CB 3.91Å; N703-A707 VanDerWaalsContact O-CB 3.3Å; N703-A707 WeakPolarHBondContact O-CB 3.13Å; N703-A707 PolarHBondContact O-N 2.94Å; E704-A707 PolarHBondContact O-N 2.9Å; A707-S709 VanDerWaalsContact C-N 3.27Å; A707-S709 PolarHBondContact O-N 3.07Å
708	T	91.5	Very high	89.5	Confident	1 Å²	1	28 Å²	28	1%	0.006	14%	0.138	C	C	.	.	H	α-helix	trans	-69.1	-18.7	177.4	56.5	0	0	0	0	113.8	E704 V705 M706 H710 V711 I733 T735 R741	E704-T708 WeakPolarHBondContact O-CG2 3.35Å; E704-T708 PolarHBondContact O-N 2.87Å; E704-T708 PolarHBondContact O-OG1 3.4Å; V705-T708 PolarHBondContact O-OG1 3.37Å; V705-T708 VanDerWaalsContact O-OG1 3.1Å; M706-T708 VanDerWaalsContact C-N 3.34Å; M706-T708 PolarHBondContact O-N 3.42Å; T708-H710 PolarHBondContact O-N 3.21Å; T708-V711 WeakPolarHBondContact O-CG1 3.31Å; T708-V711 PolarHBondContact O-N 2.88Å; T708-I733 HydrophobicContact CG2-CD1 4.23Å; T708-I733 HydrophobicContact CG2-CG1 4.39Å; T708-I733 HydrophobicContact CG2-CG2 4Å; T708-T735 HydrophobicContact CG2-CG2 4.02Å; T708-R741 WeakPolarHBondContact O-CD 2.87Å; T708-R741 PolarHBondContact O-NE 3.08Å; T708-R741 PolarHBondContact OG1-NE 3.43Å
709	S	90.7	Very high	89.4	Confident	5 Å²	5	27.7 Å²	27.7	4%	0.035	14%	0.138	C	C	.	.	H	α-helix	trans	-66.2	-25.1	-178.6	73	0	0	0	0	113.7	V705 M706 A707 V711 T712	V705-S709 PolarHBondContact O-N 2.53Å; M706-S709 WeakPolarHBondContact O-CB 3.42Å; M706-S709 PolarHBondContact O-N 2.87Å; M706-S709 PolarHBondContact O-OG 3.29Å; A707-S709 VanDerWaalsContact C-N 3.27Å; A707-S709 PolarHBondContact O-N 3.07Å; S709-V711 PolarHBondContact O-N 2.92Å; S709-V711 VanDerWaalsContact O-N 3.12Å; S709-T712 VanDerWaalsContact O-CB 3.31Å; S709-T712 WeakPolarHBondContact O-CB 3.36Å; S709-T712 PolarHBondContact O-N 2.67Å; S709-T712 VanDerWaalsContact O-N 3.12Å; S709-T712 PolarHBondContact O-OG1 3.37Å
710	H	89.1	Confident	89.4	Confident	52 Å²	52	29.2 Å²	29.2	24%	0.241	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-6.6	-178.6	-67.1	-77.2	0	0	0	114.7	I68 F72 T708	I68-H710 HydrophobicContact CD1-CB 3.88Å; I68-H710 HydrophobicContact CG2-CB 4.04Å; F72-H710 AromaticContact CZ-CD2 3.9Å; T708-H710 PolarHBondContact O-N 3.21Å
711	V	89.7	Confident	89.6	Confident	4 Å²	4	35 Å²	35	2%	0.024	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-16.4	173	84.7	0	0	0	0	113	M65 T708 S709 D713 E714 W715 I733 M808	M65-V711 HydrophobicContact CE-CB 4.35Å; M65-V711 HydrophobicContact SD-CB 3.78Å; M65-V711 HydrophobicContact SD-CG2 4.08Å; T708-V711 WeakPolarHBondContact O-CG1 3.31Å; T708-V711 PolarHBondContact O-N 2.88Å; S709-V711 PolarHBondContact O-N 2.92Å; S709-V711 VanDerWaalsContact O-N 3.12Å; V711-D713 PolarHBondContact O-N 2.59Å; V711-E714 PolarHBondContact O-N 3.12Å; V711-W715 HydrophobicContact CB-CZ2 4.47Å; V711-W715 HydrophobicContact CG1-CD2 3.93Å; V711-W715 HydrophobicContact CG1-CE3 3.77Å; V711-W715 HydrophobicContact CG1-CH2 3.65Å; V711-W715 HydrophobicContact CG1-CZ2 3.85Å; V711-W715 HydrophobicContact CG1-CZ3 3.63Å; V711-W715 HydrophobicContact CG2-CD2 4.01Å; V711-W715 HydrophobicContact CG2-CG 4.35Å; V711-W715 HydrophobicContact CG2-CH2 4.43Å; V711-W715 HydrophobicContact CG2-CZ2 3.77Å; V711-W715 PolarHBondContact O-N 3.12Å; V711-W715 VanDerWaalsContact O-N 3.13Å; V711-I733 HydrophobicContact CG1-CG2 4.33Å; V711-M808 HydrophobicContact CG2-CE 3.74Å
712	T	89.3	Confident	89.6	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-56.3	-50.6	-171.4	-65.2	0	0	0	0	112.1	S625 P653 S709 E714 W715 M716	S625-T712 WeakPolarHBondContact OG-CG2 3.45Å; S625-T712 PolarHBondContact OG-OG1 2.94Å; P653-T712 HydrophobicContact CG-CG2 3.76Å; S709-T712 VanDerWaalsContact O-CB 3.31Å; S709-T712 WeakPolarHBondContact O-CB 3.36Å; S709-T712 PolarHBondContact O-N 2.67Å; S709-T712 VanDerWaalsContact O-N 3.12Å; S709-T712 PolarHBondContact O-OG1 3.37Å; T712-E714 VanDerWaalsContact C-N 3.33Å; T712-E714 PolarHBondContact O-N 2.77Å; T712-W715 PolarHBondContact O-N 3.08Å; T712-M716 HydrophobicContact CG2-CE 3.55Å; T712-M716 HydrophobicContact CG2-CG 4.39Å; T712-M716 HydrophobicContact CG2-SD 3.76Å; T712-M716 WeakPolarHBondContact O-CG 3.39Å; T712-M716 PolarHBondContact O-N 3.25Å
713	D	88.1	Confident	89.5	Confident	72 Å²	72	40.1 Å²	40.1	39%	0.385	21%	0.212	S	C	.	.	H	α-helix	trans	-65	-39.3	-172.8	-48.5	4.2	0	0	0	111.1	S624 V711 T717	S624-D713 WeakPolarHBondContact CB-OD1 3.19Å; S624-D713 WeakPolarHBondContact CB-OD2 3.12Å; S624-D713 PolarHBondContact OG-OD1 3.38Å; S624-D713 PolarHBondContact OG-OD2 3.01Å; V711-D713 PolarHBondContact O-N 2.59Å; D713-T717 WeakPolarHBondContact O-CB 3.16Å; D713-T717 PolarHBondContact O-N 3.29Å; D713-T717 PolarHBondContact O-OG1 2.94Å
714	E	89.1	Confident	89.5	Confident	56 Å²	56	41.1 Å²	41.1	26%	0.262	22%	0.217	S	C	.	.	H	α-helix	trans	-61.7	-55.2	174.2	-176.4	79.2	-114.5	0	0	110.2	V711 T712 M716 T717 Q718	V711-E714 PolarHBondContact O-N 3.12Å; T712-E714 VanDerWaalsContact C-N 3.33Å; T712-E714 PolarHBondContact O-N 2.77Å; E714-M716 VanDerWaalsContact C-N 3.34Å; E714-M716 PolarHBondContact O-N 3.3Å; E714-T717 PolarHBondContact O-N 2.99Å; E714-Q718 HydrophobicContact CG-CG 4.37Å; E714-Q718 WeakPolarHBondContact O-CB 3.31Å; E714-Q718 VanDerWaalsContact O-CG 3.31Å; E714-Q718 WeakPolarHBondContact O-CG 3.49Å; E714-Q718 PolarHBondContact O-N 2.55Å; E714-Q718 PolarHBondContact OE1-NE2 3.21Å
715	W	92.6	Very high	89.3	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63	-35.9	-177.5	-70.9	-12.8	0	0	0	114	L60 V711 T712 M719 R731 Y732 I733 R741 Y743 M808	L60-W715 HydrophobicContact CD1-CZ2 4.44Å; L60-W715 PolarHBondContact O-NE1 3.44Å; L60-W715 VanDerWaalsContact O-NE1 3.07Å; V711-W715 HydrophobicContact CB-CZ2 4.47Å; V711-W715 HydrophobicContact CG1-CD2 3.93Å; V711-W715 HydrophobicContact CG1-CE3 3.77Å; V711-W715 HydrophobicContact CG1-CH2 3.65Å; V711-W715 HydrophobicContact CG1-CZ2 3.85Å; V711-W715 HydrophobicContact CG1-CZ3 3.63Å; V711-W715 HydrophobicContact CG2-CD2 4.01Å; V711-W715 HydrophobicContact CG2-CG 4.35Å; V711-W715 HydrophobicContact CG2-CH2 4.43Å; V711-W715 HydrophobicContact CG2-CZ2 3.77Å; V711-W715 PolarHBondContact O-N 3.12Å; V711-W715 VanDerWaalsContact O-N 3.13Å; T712-W715 PolarHBondContact O-N 3.08Å; W715-M719 WeakPolarHBondContact O-CB 3.28Å; W715-M719 PolarHBondContact O-N 3.16Å; W715-R731 HydrophobicContact CD2-CB 3.92Å; W715-R731 HydrophobicContact CE3-CB 4.21Å; W715-R731 HydrophobicContact CG-CB 4.33Å; W715-R731 HydrophobicContact CZ2-CB 4.25Å; W715-Y732 VanDerWaalsContact CH2-CA 3.44Å; W715-I733 HydrophobicContact CH2-CB 4.02Å; W715-I733 HydrophobicContact CH2-CG2 3.81Å; W715-I733 HydrophobicContact CZ2-CB 4.49Å; W715-R741 HydrophobicContact CZ3-CG 4.48Å; W715-Y743 HydrophobicContact CB-CD1 4.44Å; W715-M808 HydrophobicContact CZ2-CE 3.84Å
716	M	90.8	Very high	89.2	Confident	49 Å²	49	43.2 Å²	43.2	24%	0.241	23%	0.23	C	C	.	.	H	α-helix	trans	-68	-43.3	174.6	-65.8	-177.6	-45.5	0	0	111.1	T712 E714 M719 E720 Y743	T712-M716 HydrophobicContact CG2-CE 3.55Å; T712-M716 HydrophobicContact CG2-CG 4.39Å; T712-M716 HydrophobicContact CG2-SD 3.76Å; T712-M716 WeakPolarHBondContact O-CG 3.39Å; T712-M716 PolarHBondContact O-N 3.25Å; E714-M716 VanDerWaalsContact C-N 3.34Å; E714-M716 PolarHBondContact O-N 3.3Å; M716-M719 WeakPolarHBondContact O-CB 3.34Å; M716-M719 PolarHBondContact O-N 3.25Å; M716-E720 PolarHBondContact O-N 2.82Å; M716-Y743 HydrophobicContact CG-CE2 3.95Å
717	T	90.2	Very high	89.3	Confident	68 Å²	68	44.4 Å²	44.4	42%	0.417	24%	0.235	S	C	.	.	H	α-helix	trans	-65.7	-41.4	177.5	-48.9	0	0	0	0	111.3	D713 E714 M719 E720 M721	D713-T717 WeakPolarHBondContact O-CB 3.16Å; D713-T717 PolarHBondContact O-N 3.29Å; D713-T717 PolarHBondContact O-OG1 2.94Å; E714-T717 PolarHBondContact O-N 2.99Å; T717-M719 VanDerWaalsContact C-N 3.29Å; T717-M719 PolarHBondContact O-N 3.1Å; T717-E720 PolarHBondContact O-N 3.09Å; T717-M721 HydrophobicContact CG2-CE 3.79Å; T717-M721 HydrophobicContact CG2-CG 4.38Å; T717-M721 HydrophobicContact CG2-SD 4Å; T717-M721 WeakPolarHBondContact O-CG 3.3Å; T717-M721 PolarHBondContact O-N 3.05Å; T717-M721 VanDerWaalsContact O-N 3.08Å
718	Q	90.4	Very high	89.5	Confident	31 Å²	31	44.7 Å²	44.7	15%	0.145	24%	0.236	C	C	.	.	H	α-helix	trans	-63.3	-35	173.9	-65.3	-58.6	-16.5	0	0	111.6	E714 E720 M721 S722 N725	E714-Q718 HydrophobicContact CG-CG 4.37Å; E714-Q718 WeakPolarHBondContact O-CB 3.31Å; E714-Q718 VanDerWaalsContact O-CG 3.31Å; E714-Q718 WeakPolarHBondContact O-CG 3.49Å; E714-Q718 PolarHBondContact O-N 2.55Å; E714-Q718 PolarHBondContact OE1-NE2 3.21Å; Q718-E720 VanDerWaalsContact C-N 3.29Å; Q718-E720 PolarHBondContact O-N 2.68Å; Q718-M721 PolarHBondContact O-N 3.36Å; Q718-S722 WeakPolarHBondContact O-CB 3.45Å; Q718-S722 PolarHBondContact O-N 3.37Å; Q718-N725 PolarHBondContact O-ND2 3Å
719	M	87.4	Confident	89.5	Confident	43 Å²	43	44.7 Å²	44.7	21%	0.212	24%	0.236	C	C	.	.	H	α-helix	trans	-62.4	-31.8	177	-167.8	68.5	-170.7	0	0	113.7	W715 M716 T717 N725 Y743	W715-M719 WeakPolarHBondContact O-CB 3.28Å; W715-M719 PolarHBondContact O-N 3.16Å; M716-M719 WeakPolarHBondContact O-CB 3.34Å; M716-M719 PolarHBondContact O-N 3.25Å; T717-M719 VanDerWaalsContact C-N 3.29Å; T717-M719 PolarHBondContact O-N 3.1Å; M719-N725 WeakPolarHBondContact CA-ND2 3.42Å; M719-N725 WeakPolarHBondContact CA-OD1 3.18Å; M719-N725 HydrophobicContact CE-CB 4.44Å; M719-N725 PolarHBondContact O-ND2 3.43Å; M719-N725 HydrophobicContact SD-CB 4.13Å; M719-N725 PolarHBondContact SD-OD1 3.03Å; M719-Y743 HydrophobicContact CB-CE1 3.76Å; M719-Y743 HydrophobicContact CG-CE1 3.73Å; M719-Y743 HydrophobicContact SD-CE1 4.08Å
720	E	86.2	Confident	89.7	Confident	176 Å²	176	45 Å²	45	82%	0.822	24%	0.237	S	C	*	.	H	α-helix	trans	-85.6	-35.3	176.3	-64.5	-172	165.4	0	0	112.8	M716 T717 Q718	M716-E720 PolarHBondContact O-N 2.82Å; T717-E720 PolarHBondContact O-N 3.09Å; Q718-E720 VanDerWaalsContact C-N 3.29Å; Q718-E720 PolarHBondContact O-N 2.68Å
721	M	89.2	Confident	89.9	Confident	133 Å²	133	42.7 Å²	42.7	66%	0.655	23%	0.226	S	C	*	.	H	α-helix	trans	-95.1	-31.7	-170.7	-61.5	-165.6	-42.7	0	0	115.5	T717 Q718	T717-M721 HydrophobicContact CG2-CE 3.79Å; T717-M721 HydrophobicContact CG2-CG 4.38Å; T717-M721 HydrophobicContact CG2-SD 4Å; T717-M721 WeakPolarHBondContact O-CG 3.3Å; T717-M721 PolarHBondContact O-N 3.05Å; T717-M721 VanDerWaalsContact O-N 3.08Å; Q718-M721 PolarHBondContact O-N 3.36Å
722	S	90.1	Very high	90.2	Very high	23 Å²	23	42.8 Å²	42.8	16%	0.161	23%	0.226	C	C	.	.			trans	-78.2	139	-173.2	177	0	0	0	0	113	E59 Q718 L724 N725	E59-S722 VanDerWaalsContact OE1-CB 3.3Å; E59-S722 WeakPolarHBondContact OE1-CB 3.19Å; E59-S722 PolarHBondContact OE1-OG 3.3Å; Q718-S722 WeakPolarHBondContact O-CB 3.45Å; Q718-S722 PolarHBondContact O-N 3.37Å; S722-L724 PolarHBondContact O-N 2.92Å; S722-L724 PolarHBondContact OG-N 2.87Å; S722-N725 WeakPolarHBondContact CB-ND2 3.34Å; S722-N725 PolarHBondContact N-ND2 2.86Å; S722-N725 PolarHBondContact O-ND2 2.85Å
723	S	87.1	Confident	90.5	Very high	96 Å²	96	42.8 Å²	42.8	67%	0.671	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-68.8	-22.8	169.1	54.5	0	0	0	0	112.8	N725 T726	S723-N725 VanDerWaalsContact C-N 3.32Å; S723-N725 PolarHBondContact O-N 2.75Å; S723-T726 PolarHBondContact O-OG1 3.42Å
724	L	89.2	Confident	90.9	Very high	28 Å²	28	39.4 Å²	39.4	15%	0.147	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-78.9	-10.7	-176.9	-60.6	-177.3	0	0	0	113.8	L55 E59 S722 T726 Y727 I728 Y816	L55-L724 HydrophobicContact CD2-CD1 3.4Å; L55-L724 VanDerWaalsContact CD2-CD1 3.4Å; E59-L724 HydrophobicContact CG-CD1 3.95Å; S722-L724 PolarHBondContact O-N 2.92Å; S722-L724 PolarHBondContact OG-N 2.87Å; L724-T726 PolarHBondContact O-N 3.3Å; L724-Y727 HydrophobicContact CD2-CD2 4.39Å; L724-Y727 PolarHBondContact O-N 2.65Å; L724-I728 HydrophobicContact CB-CD1 3.87Å; L724-I728 WeakPolarHBondContact O-CD1 3.27Å; L724-I728 WeakPolarHBondContact O-CG1 3.34Å; L724-I728 PolarHBondContact O-N 2.72Å; L724-Y816 HydrophobicContact CD2-CE2 4.02Å
725	N	86.5	Confident	91	Very high	14 Å²	14	36.8 Å²	36.8	8%	0.075	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-58.8	-20.5	174.7	-65.8	-57.2	0	0	0	113.6	Q718 M719 S722 S723 Y727 R731 L1037	Q718-N725 PolarHBondContact O-ND2 3Å; M719-N725 WeakPolarHBondContact CA-ND2 3.42Å; M719-N725 WeakPolarHBondContact CA-OD1 3.18Å; M719-N725 HydrophobicContact CE-CB 4.44Å; M719-N725 PolarHBondContact O-ND2 3.43Å; M719-N725 HydrophobicContact SD-CB 4.13Å; M719-N725 PolarHBondContact SD-OD1 3.03Å; S722-N725 WeakPolarHBondContact CB-ND2 3.34Å; S722-N725 PolarHBondContact N-ND2 2.86Å; S722-N725 PolarHBondContact O-ND2 2.85Å; S723-N725 VanDerWaalsContact C-N 3.32Å; S723-N725 PolarHBondContact O-N 2.75Å; N725-Y727 PolarHBondContact O-N 3.25Å; N725-R731 PolarHBondContact OD1-NH1 3.25Å; N725-R731 VanDerWaalsContact OD1-NH1 3.11Å; N725-R731 PolarHBondContact OD1-NH2 3Å; N725-L1037 WeakPolarHBondContact O-CD1 3.34Å
726	T	88.4	Confident	90.7	Very high	51 Å²	51	37.7 Å²	37.7	31%	0.313	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-71.4	-4.6	172.3	53.4	0	0	0	0	114	S723 L724 V1036 L1037	S723-T726 PolarHBondContact O-OG1 3.42Å; L724-T726 PolarHBondContact O-N 3.3Å; T726-V1036 CarbonylContact O-C 3.58Å; T726-V1036 VanDerWaalsContact O-CA 3.23Å; T726-V1036 WeakPolarHBondContact O-CA 3.24Å; T726-L1037 WeakPolarHBondContact O-CG 3.37Å; T726-L1037 PolarHBondContact O-N 3.44Å
727	Y	91.2	Very high	90.5	Very high	30 Å²	30	36.7 Å²	36.7	12%	0.118	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.4	-9.4	179.8	-53.8	-90.7	0	0	0	114	L724 N725 F812 T813 Y816 K819 G1035 V1036	L724-Y727 HydrophobicContact CD2-CD2 4.39Å; L724-Y727 PolarHBondContact O-N 2.65Å; N725-Y727 PolarHBondContact O-N 3.25Å; Y727-F812 WeakPolarHBondContact O-CA 3.17Å; Y727-T813 PolarHBondContact O-N 3.04Å; Y727-T813 VanDerWaalsContact O-N 3.15Å; Y727-Y816 AromaticContact CD1-CD2 3.61Å; Y727-Y816 HydrophobicContact CD1-CD2 3.61Å; Y727-Y816 HydrophobicContact CD1-CE2 4.48Å; Y727-Y816 HydrophobicContact CD1-CG 4.32Å; Y727-Y816 HydrophobicContact CD2-CD2 4.19Å; Y727-Y816 HydrophobicContact CD2-CE2 4.34Å; Y727-Y816 HydrophobicContact CE1-CD2 4.29Å; Y727-Y816 AromaticContact CG-CD2 3.56Å; Y727-Y816 HydrophobicContact CG-CD2 3.56Å; Y727-Y816 HydrophobicContact CG-CE2 4.13Å; Y727-Y816 HydrophobicContact CG-CG 4.32Å; Y727-K819 HydrophobicContact CE1-CD 4.28Å; Y727-G1035 VanDerWaalsContact CD1-O 3.26Å; Y727-G1035 WeakPolarHBondContact CD1-O 3.26Å; Y727-V1036 HydrophobicContact CE1-CG2 4.09Å
728	I	93.2	Very high	90.5	Very high	7 Å²	7	33.5 Å²	33.5	4%	0.036	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	114.9	-171.5	-67.9	161.7	0	0	0	110.4	E59 L724 R731 I810 D811 F812 L1037	E59-I728 HydrophobicContact CB-CD1 4.34Å; E59-I728 HydrophobicContact CG-CD1 4.1Å; E59-I728 VanDerWaalsContact OE2-CD1 3.26Å; E59-I728 WeakPolarHBondContact OE2-CD1 3.45Å; L724-I728 HydrophobicContact CB-CD1 3.87Å; L724-I728 WeakPolarHBondContact O-CD1 3.27Å; L724-I728 WeakPolarHBondContact O-CG1 3.34Å; L724-I728 PolarHBondContact O-N 2.72Å; I728-R731 HydrophobicContact CG2-CG 4.11Å; I728-I810 HydrophobicContact CD1-CD1 3.93Å; I728-I810 HydrophobicContact CG1-CD1 4Å; I728-I810 HydrophobicContact CG2-CD1 3.8Å; I728-I810 HydrophobicContact CG2-CG1 3.83Å; I728-D811 CarbonylContact C-O 3.2Å; I728-F812 HydrophobicContact CD1-CE1 3.93Å; I728-F812 HydrophobicContact CD1-CZ 4.46Å; I728-F812 HydrophobicContact CG1-CD1 3.64Å; I728-F812 HydrophobicContact CG1-CE1 3.36Å; I728-F812 HydrophobicContact CG1-CZ 4.09Å; I728-L1037 WeakPolarHBondContact O-CD1 3.44Å
729	V	91.9	Very high	90.7	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-46.5	-176.1	176.9	0	0	0	0	111.5	H643 F644 A782 V785 D811 T813 L1037	H643-V729 PolarHBondContact NE2-O 2.94Å; F644-V729 HydrophobicContact CE2-CG1 4.15Å; V729-A782 HydrophobicContact CB-CB 4.44Å; V729-A782 HydrophobicContact CG1-CB 3.55Å; V729-A782 HydrophobicContact CG2-CB 3.95Å; V729-V785 HydrophobicContact CB-CG1 4.39Å; V729-V785 HydrophobicContact CG1-CG1 4.48Å; V729-V785 HydrophobicContact CG2-CG1 3.82Å; V729-D811 HydrophobicContact CB-CB 4.11Å; V729-D811 PolarHBondContact N-O 2.72Å; V729-T813 HydrophobicContact CG2-CG2 4.21Å; V729-L1037 HydrophobicContact CB-CD2 4.26Å; V729-L1037 HydrophobicContact CG2-CD2 3.52Å
730	R	93.1	Very high	91.1	Very high	12 Å²	12	30.2 Å²	30.2	5%	0.045	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	145.6	-176.7	53.4	-176.9	84.9	-108.1	1.4	111.1	Y732 I742 Y743 D778 I810 D811	R730-Y732 HydrophobicContact CG-CD1 4.1Å; R730-Y732 HydrophobicContact CG-CE1 4.02Å; R730-I742 HydrophobicContact CB-CD1 4.37Å; R730-I742 HydrophobicContact CB-CG1 4.46Å; R730-Y743 CarbonylContact C-O 3.55Å; R730-Y743 WeakPolarHBondContact CA-O 3.48Å; R730-D778 IonicContact CZ-OD1 2.7Å; R730-D778 IonicContact CZ-OD2 3.34Å; R730-D778 IonicContact NE-OD1 2.64Å; R730-D778 PolarHBondContact NE-OD1 3.09Å; R730-D778 IonicContact NE-OD2 3.06Å; R730-D778 IonicContact NH2-OD1 3.77Å; R730-D778 PolarHBondContact NH2-OD1 2.92Å; R730-D778 IonicContact NH2-OD2 3.54Å; R730-D778 PolarHBondContact NH2-OD2 3.43Å; R730-I810 WeakPolarHBondContact O-CA 3.46Å; R730-D811 VanDerWaalsContact CD-OD2 3.24Å; R730-D811 WeakPolarHBondContact CD-OD2 3.35Å; R730-D811 HydrophobicContact CG-CB 3.84Å; R730-D811 WeakPolarHBondContact CG-OD2 3.48Å; R730-D811 IonicContact NE-OD2 2.77Å; R730-D811 PolarHBondContact O-N 2.76Å
731	R	94.9	Very high	91.6	Very high	3 Å²	3	22 Å²	22	1%	0.011	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	138.5	170.6	-62	178.9	178	90.5	-7.9	108.7	E59 W715 N725 I728 I742 Y743 I810	E59-R731 WeakPolarHBondContact O-CD 3.28Å; E59-R731 PolarHBondContact O-NE 2.94Å; E59-R731 IonicContact OE2-CZ 3.72Å; E59-R731 IonicContact OE2-NH2 3.98Å; E59-R731 PolarHBondContact OE2-NH2 3.37Å; W715-R731 HydrophobicContact CD2-CB 3.92Å; W715-R731 HydrophobicContact CE3-CB 4.21Å; W715-R731 HydrophobicContact CG-CB 4.33Å; W715-R731 HydrophobicContact CZ2-CB 4.25Å; N725-R731 PolarHBondContact OD1-NH1 3.25Å; N725-R731 VanDerWaalsContact OD1-NH1 3.11Å; N725-R731 PolarHBondContact OD1-NH2 3Å; I728-R731 HydrophobicContact CG2-CG 4.11Å; R731-I742 WeakPolarHBondContact O-CA 3.3Å; R731-Y743 PolarHBondContact N-O 2.03Å; R731-Y743 PolarHBondContact O-N 2.93Å; R731-I810 HydrophobicContact CG-CD1 3.93Å; R731-I810 HydrophobicContact CG-CG1 4.04Å
732	Y	95.3	Very high	91.8	Very high	7 Å²	7	15.9 Å²	15.9	3%	0.027	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	160.7	-179.1	49.9	-105.6	0	0	0	114.7	W715 R730 R741 W759 T787 M808 G809 D811	W715-Y732 VanDerWaalsContact CH2-CA 3.44Å; R730-Y732 HydrophobicContact CG-CD1 4.1Å; R730-Y732 HydrophobicContact CG-CE1 4.02Å; Y732-R741 CarbonylContact C-O 3.22Å; Y732-R741 WeakPolarHBondContact CA-O 3.46Å; Y732-R741 VanDerWaalsContact CB-O 3.31Å; Y732-R741 WeakPolarHBondContact CB-O 3.21Å; Y732-W759 AromaticContact CD2-CH2 3.67Å; Y732-W759 HydrophobicContact CD2-CH2 3.67Å; Y732-W759 AromaticContact CD2-CZ2 3.69Å; Y732-W759 HydrophobicContact CD2-CZ2 3.69Å; Y732-W759 HydrophobicContact CD2-CZ3 4.14Å; Y732-W759 AromaticContact CE2-CD2 3.59Å; Y732-W759 HydrophobicContact CE2-CD2 3.59Å; Y732-W759 AromaticContact CE2-CE2 3.31Å; Y732-W759 AromaticContact CE2-CE3 3.78Å; Y732-W759 HydrophobicContact CE2-CE3 3.78Å; Y732-W759 HydrophobicContact CE2-CG 4.28Å; Y732-W759 AromaticContact CE2-CH2 3.55Å; Y732-W759 HydrophobicContact CE2-CH2 3.55Å; Y732-W759 AromaticContact CE2-CZ2 3.32Å; Y732-W759 HydrophobicContact CE2-CZ2 3.32Å; Y732-W759 AromaticContact CE2-CZ3 3.76Å; Y732-W759 HydrophobicContact CE2-CZ3 3.76Å; Y732-W759 AromaticContact CE2-NE1 3.78Å; Y732-W759 AromaticContact CZ-CE2 3.78Å; Y732-W759 AromaticContact CZ-NE1 3.74Å; Y732-W759 PolarHBondContact OH-NE1 3.39Å; Y732-T787 VanDerWaalsContact OH-CG2 3.25Å; Y732-T787 WeakPolarHBondContact OH-CG2 3.37Å; Y732-T787 PolarHBondContact OH-OG1 3.26Å; Y732-M808 WeakPolarHBondContact O-CA 3.34Å; Y732-G809 PolarHBondContact N-O 3.12Å; Y732-G809 PolarHBondContact O-N 3.37Å; Y732-G809 VanDerWaalsContact O-O 3.12Å; Y732-D811 WeakPolarHBondContact CE1-OD2 3.36Å; Y732-D811 PolarHBondContact OH-OD1 2.74Å
733	I	96.1	Very high	91.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	133.1	175	-174.4	171.3	0	0	0	108.9	M65 F69 T708 V711 W715 R741 A806 V807 M808	M65-I733 HydrophobicContact CE-CD1 4.1Å; M65-I733 HydrophobicContact CG-CD1 4.01Å; F69-I733 HydrophobicContact CE2-CD1 4.36Å; T708-I733 HydrophobicContact CG2-CD1 4.23Å; T708-I733 HydrophobicContact CG2-CG1 4.39Å; T708-I733 HydrophobicContact CG2-CG2 4Å; V711-I733 HydrophobicContact CG1-CG2 4.33Å; W715-I733 HydrophobicContact CH2-CB 4.02Å; W715-I733 HydrophobicContact CH2-CG2 3.81Å; W715-I733 HydrophobicContact CZ2-CB 4.49Å; I733-R741 HydrophobicContact CG2-CB 3.87Å; I733-R741 PolarHBondContact N-O 2.9Å; I733-R741 PolarHBondContact O-N 2.91Å; I733-A806 HydrophobicContact CD1-CB 4.03Å; I733-A806 HydrophobicContact CG1-CB 4.06Å; I733-V807 WeakPolarHBondContact CA-O 3.26Å; I733-M808 HydrophobicContact CB-CG 4.18Å; I733-M808 HydrophobicContact CD1-CE 4.44Å; I733-M808 HydrophobicContact CD1-CG 3.69Å; I733-M808 HydrophobicContact CD1-SD 4.23Å; I733-M808 HydrophobicContact CG1-CG 3.76Å
734	A	95.1	Very high	92.2	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	149.9	176.7	0	0	0	0	0	112.3	V739 L740 P754 W759 Y760 A806 V807	A734-V739 CarbonylContact C-O 3.6Å; A734-V739 WeakPolarHBondContact CA-O 3.48Å; A734-L740 HydrophobicContact CB-CD1 4.19Å; A734-P754 HydrophobicContact CB-CB 3.55Å; A734-P754 HydrophobicContact CB-CG 3.81Å; A734-W759 HydrophobicContact CB-CH2 3.76Å; A734-Y760 HydrophobicContact CB-CD2 4.24Å; A734-Y760 HydrophobicContact CB-CE2 4.2Å; A734-A806 CarbonylContact O-C 3.55Å; A734-A806 VanDerWaalsContact O-CA 3.28Å; A734-A806 WeakPolarHBondContact O-CA 3.45Å; A734-A806 WeakPolarHBondContact O-CB 3.35Å; A734-V807 PolarHBondContact N-O 3.35Å; A734-V807 PolarHBondContact O-N 3.15Å
735	T	91.6	Very high	92.4	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.006	5%	0.05	C	C	.	.			trans	-109.2	160.7	174.9	70.9	0	0	0	0	111.8	E704 T708 N737 G738 V739 A806	E704-T735 HydrophobicContact CB-CG2 4.13Å; E704-T735 HydrophobicContact CG-CG2 4.31Å; E704-T735 WeakPolarHBondContact OE2-CB 3.41Å; E704-T735 PolarHBondContact OE2-OG1 2.85Å; T708-T735 HydrophobicContact CG2-CG2 4.02Å; T735-N737 PolarHBondContact O-N 2.89Å; T735-G738 PolarHBondContact O-N 3.15Å; T735-V739 HydrophobicContact CG2-CB 4.21Å; T735-V739 PolarHBondContact N-O 2.78Å; T735-V739 WeakPolarHBondContact OG1-CB 3.49Å; T735-V739 PolarHBondContact OG1-N 2.91Å; T735-A806 HydrophobicContact CG2-CB 4.43Å
736	P	86.1	Confident	92.6	Very high	19 Å²	19	9 Å²	9	12%	0.123	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-33.3	175.3	-28.5	36	0	0	0	114.5	Q500 G738 Y760 V805	Q500-P736 VanDerWaalsContact CD-O 3.24Å; Q500-P736 PolarHBondContact NE2-O 3.34Å; Q500-P736 PolarHBondContact OE1-O 2.77Å; P736-G738 PolarHBondContact O-N 3.03Å; P736-Y760 WeakPolarHBondContact CA-OH 3.29Å; P736-V805 WeakPolarHBondContact CD-O 3.38Å
737	N	87.6	Confident	92.7	Very high	29 Å²	29	6.9 Å²	6.9	16%	0.155	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	7.6	178.1	-73.2	-60.4	0	0	0	114.2	G660 S661 S700 V701 E704 T735	G660-N737 CarbonylContact C-O 3.56Å; S661-N737 VanDerWaalsContact CA-O 3.3Å; S661-N737 WeakPolarHBondContact CA-O 3.26Å; S661-N737 PolarHBondContact N-O 3.12Å; S661-N737 VanDerWaalsContact N-O 3.16Å; S661-N737 PolarHBondContact OG-O 3.08Å; S700-N737 PolarHBondContact OG-ND2 3.01Å; V701-N737 HydrophobicContact CG2-CB 4.35Å; E704-N737 PolarHBondContact OE1-ND2 3.02Å; T735-N737 PolarHBondContact O-N 2.89Å
738	G	90.6	Very high	92.6	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.01	3%	0.031	C	C	.	.	S	Bend	trans	86.1	14.9	174.9	0	0	0	0	0	115.3	S658 T735 P736 L740	S658-G738 PolarHBondContact N-O 2.91Å; S658-G738 WeakPolarHBondContact OG-CA 3.22Å; T735-G738 PolarHBondContact O-N 3.15Å; P736-G738 PolarHBondContact O-N 3.03Å; G738-L740 PolarHBondContact O-N 2.88Å
739	V	94.4	Very high	92.4	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	125.8	166.8	-175.8	0	0	0	0	108.1	V655 L657 V701 E704 V705 A734 T735	V655-V739 HydrophobicContact CG1-CG1 4.31Å; L657-V739 HydrophobicContact CD2-CB 4.25Å; L657-V739 HydrophobicContact CD2-CG1 4.13Å; L657-V739 HydrophobicContact CD2-CG2 3.85Å; V701-V739 HydrophobicContact CB-CG2 4.45Å; V701-V739 HydrophobicContact CG1-CG2 3.95Å; V701-V739 HydrophobicContact CG2-CG2 4.43Å; E704-V739 HydrophobicContact CB-CG2 3.95Å; V705-V739 HydrophobicContact CG2-CG1 3.56Å; V705-V739 HydrophobicContact CG2-CG2 4.09Å; A734-V739 CarbonylContact C-O 3.6Å; A734-V739 WeakPolarHBondContact CA-O 3.48Å; T735-V739 HydrophobicContact CG2-CB 4.21Å; T735-V739 PolarHBondContact N-O 2.78Å; T735-V739 WeakPolarHBondContact OG1-CB 3.49Å; T735-V739 PolarHBondContact OG1-N 2.91Å
740	L	95.8	Very high	92.2	Very high	4 Å²	4	9.4 Å²	9.4	2%	0.021	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.7	172.3	176.9	65.2	0	0	0	109.3	V655 M656 A734 G738 M748 F752 P754	V655-L740 CarbonylContact C-O 3.27Å; V655-L740 WeakPolarHBondContact CA-O 3.04Å; M656-L740 HydrophobicContact CB-CB 4.29Å; M656-L740 HydrophobicContact CB-CD2 4.44Å; M656-L740 PolarHBondContact N-O 2.98Å; M656-L740 PolarHBondContact O-N 2.98Å; M656-L740 VanDerWaalsContact O-O 3.13Å; M656-L740 HydrophobicContact SD-CB 4.44Å; A734-L740 HydrophobicContact CB-CD1 4.19Å; G738-L740 PolarHBondContact O-N 2.88Å; L740-M748 HydrophobicContact CD2-CG 4.35Å; L740-F752 HydrophobicContact CD2-CD1 3.95Å; L740-F752 HydrophobicContact CD2-CE1 3.73Å; L740-P754 HydrophobicContact CB-CG 4.28Å; L740-P754 HydrophobicContact CD1-CB 4.29Å
741	R	95.3	Very high	91.9	Very high	3 Å²	3	10.6 Å²	10.6	1%	0.011	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.8	167.3	178.8	-178.3	-64	-85.3	2.7	109.1	P653 T654 V705 T708 W715 Y732 I733	P653-R741 HydrophobicContact CB-CG 3.84Å; T654-R741 WeakPolarHBondContact O-CA 3.23Å; V705-R741 PolarHBondContact O-NH2 2.77Å; T708-R741 WeakPolarHBondContact O-CD 2.87Å; T708-R741 PolarHBondContact O-NE 3.08Å; T708-R741 PolarHBondContact OG1-NE 3.43Å; W715-R741 HydrophobicContact CZ3-CG 4.48Å; Y732-R741 CarbonylContact C-O 3.22Å; Y732-R741 WeakPolarHBondContact CA-O 3.46Å; Y732-R741 VanDerWaalsContact CB-O 3.31Å; Y732-R741 WeakPolarHBondContact CB-O 3.21Å; I733-R741 HydrophobicContact CG2-CB 3.87Å; I733-R741 PolarHBondContact N-O 2.9Å; I733-R741 PolarHBondContact O-N 2.91Å
742	I	94.3	Very high	91.6	Very high	6 Å²	6	12 Å²	12	3%	0.031	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	140.3	-171.4	-175.8	166.4	0	0	0	112.3	P653 T654 R730 R731 M748	P653-I742 CarbonylContact C-O 3.57Å; P653-I742 WeakPolarHBondContact CA-O 3.49Å; P653-I742 WeakPolarHBondContact CB-O 3.23Å; T654-I742 PolarHBondContact N-O 3Å; T654-I742 PolarHBondContact O-N 2.67Å; T654-I742 WeakPolarHBondContact OG1-CG2 3.49Å; R730-I742 HydrophobicContact CB-CD1 4.37Å; R730-I742 HydrophobicContact CB-CG1 4.46Å; R731-I742 WeakPolarHBondContact O-CA 3.3Å; I742-M748 HydrophobicContact CD1-CE 3.81Å; I742-M748 HydrophobicContact CD1-SD 4.3Å; I742-M748 HydrophobicContact CG2-CE 4.3Å
743	Y	93.1	Very high	91.3	Very high	11 Å²	11	12.1 Å²	12.1	4%	0.043	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	132.5	176.9	-171.2	-99.4	0	0	0	111.4	L650 P653 W715 M716 M719 R730 R731	L650-Y743 WeakPolarHBondContact O-CE2 3.25Å; L650-Y743 PolarHBondContact O-OH 3.5Å; P653-Y743 HydrophobicContact CB-CD2 4.2Å; P653-Y743 HydrophobicContact CG-CD2 3.69Å; P653-Y743 HydrophobicContact CG-CG 4.2Å; W715-Y743 HydrophobicContact CB-CD1 4.44Å; M716-Y743 HydrophobicContact CG-CE2 3.95Å; M719-Y743 HydrophobicContact CB-CE1 3.76Å; M719-Y743 HydrophobicContact CG-CE1 3.73Å; M719-Y743 HydrophobicContact SD-CE1 4.08Å; R730-Y743 CarbonylContact C-O 3.55Å; R730-Y743 WeakPolarHBondContact CA-O 3.48Å; R731-Y743 PolarHBondContact N-O 2.03Å; R731-Y743 PolarHBondContact O-N 2.93Å
744	P	92.9	Very high	91	Very high	5 Å²	5	12.1 Å²	12.1	3%	0.032	7%	0.067	C	C	.	.	S	Bend	cis	-52.5	146.9	-5.9	-29.4	38.2	0	0	0	113.9	L650 S746	L650-P744 HydrophobicContact CD2-CB 4.05Å; L650-P744 HydrophobicContact CD2-CG 3.91Å; P744-S746 PolarHBondContact O-N 3.17Å; P744-S746 VanDerWaalsContact O-N 3.09Å; P744-S746 PolarHBondContact O-OG 3.02Å
745	G	92.5	Very high	90.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	112.5	-176.5	0	0	0	0	0	109.8	L632 A648 T649 S652	L632-G745 WeakPolarHBondContact CD1-O 3.35Å; A648-G745 CarbonylContact C-O 3.58Å; A648-G745 WeakPolarHBondContact CA-O 3.41Å; A648-G745 WeakPolarHBondContact CB-O 3.08Å; T649-G745 PolarHBondContact N-O 3.18Å; T649-G745 PolarHBondContact O-N 3.06Å; S652-G745 WeakPolarHBondContact O-CA 3.41Å
746	S	91.3	Very high	90.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	153.6	-163.8	-61.6	0	0	0	0	113	T654 P744 M748	T654-S746 PolarHBondContact OG1-N 3.08Å; T654-S746 PolarHBondContact OG1-O 3.38Å; P744-S746 PolarHBondContact O-N 3.17Å; P744-S746 VanDerWaalsContact O-N 3.09Å; P744-S746 PolarHBondContact O-OG 3.02Å; S746-M748 VanDerWaalsContact CB-CE 3.43Å; S746-M748 PolarHBondContact O-N 3.28Å
747	L	91	Very high	90.4	Very high	6 Å²	6	14.5 Å²	14.5	3%	0.031	8%	0.075	C	C	.	.			trans	-77	109.2	174.4	176	63.5	0	0	0	111.6	H630 Q646 L647 T1006	H630-L747 WeakPolarHBondContact O-CA 3.36Å; H630-L747 VanDerWaalsContact O-CD1 3.25Å; H630-L747 WeakPolarHBondContact O-CD1 3.29Å; Q646-L747 PolarHBondContact NE2-O 2.9Å; L647-L747 HydrophobicContact CB-CB 4.04Å; L647-L747 HydrophobicContact CB-CD2 4.09Å; L647-L747 HydrophobicContact CD2-CD2 4.26Å; L647-L747 WeakPolarHBondContact O-CB 3.37Å; L647-L747 PolarHBondContact O-N 3.37Å; L747-T1006 HydrophobicContact CD2-CG2 3.95Å; L747-T1006 HydrophobicContact CG-CG2 4.17Å
748	M	89.3	Confident	90.4	Very high	14 Å²	14	16.1 Å²	16.1	7%	0.069	8%	0.081	C	C	.	.			trans	-95.2	152.3	174	-61.5	-59.1	110.5	0	0	112.1	H630 M656 L740 I742 S746	H630-M748 HydrophobicContact CB-CB 4.46Å; H630-M748 PolarHBondContact CE1-O 2.92Å; H630-M748 PolarHBondContact ND1-O 3.15Å; M656-M748 HydrophobicContact CB-CB 4.27Å; M656-M748 HydrophobicContact CB-CG 4.14Å; M656-M748 HydrophobicContact CG-CB 3.83Å; M656-M748 HydrophobicContact CG-CG 4.2Å; L740-M748 HydrophobicContact CD2-CG 4.35Å; I742-M748 HydrophobicContact CD1-CE 3.81Å; I742-M748 HydrophobicContact CD1-SD 4.3Å; I742-M748 HydrophobicContact CG2-CE 4.3Å; S746-M748 VanDerWaalsContact CB-CE 3.43Å; S746-M748 PolarHBondContact O-N 3.28Å
749	D	87.9	Confident	90.4	Very high	39 Å²	39	16.3 Å²	16.3	21%	0.209	8%	0.082	C	C	.	.			trans	-70	143.3	166.3	-173.4	-92.4	0	0	0	111.5	M656 A751 F752 T1006	M656-D749 WeakPolarHBondContact CE-O 3Å; D749-A751 VanDerWaalsContact C-N 3.32Å; D749-A751 PolarHBondContact O-N 3.35Å; D749-A751 WeakPolarHBondContact OD1-CB 3.37Å; D749-A751 PolarHBondContact OD1-N 2.86Å; D749-F752 VanDerWaalsContact O-CB 3.25Å; D749-F752 WeakPolarHBondContact O-CB 3.08Å; D749-F752 PolarHBondContact O-N 2.93Å; D749-T1006 VanDerWaalsContact CA-OG1 3.29Å; D749-T1006 WeakPolarHBondContact CA-OG1 3.49Å; D749-T1006 WeakPolarHBondContact CB-OG1 3.38Å; D749-T1006 PolarHBondContact N-OG1 2.03Å
750	K	87.4	Confident	90.2	Very high	37 Å²	37	16.7 Å²	16.7	16%	0.161	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-23	-175.5	69.6	170.6	-169.4	161.8	0	114.6	H668 L669 Q671 F752	H668-K750 PolarHBondContact O-NZ 3.44Å; L669-K750 WeakPolarHBondContact O-CE 3.07Å; L669-K750 PolarHBondContact O-NZ 2.03Å; Q671-K750 PolarHBondContact O-NZ 2.04Å; K750-F752 VanDerWaalsContact C-N 3.3Å
751	A	87.6	Confident	89.7	Confident	37 Å²	37	18.8 Å²	18.8	31%	0.306	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-6.4	176.7	0	0	0	0	0	112.9	L669 D749 D753	L669-A751 HydrophobicContact CD2-CB 4.03Å; D749-A751 VanDerWaalsContact C-N 3.32Å; D749-A751 PolarHBondContact O-N 3.35Å; D749-A751 WeakPolarHBondContact OD1-CB 3.37Å; D749-A751 PolarHBondContact OD1-N 2.86Å; A751-D753 PolarHBondContact O-N 2.67Å
752	F	88.9	Confident	89.2	Confident	34 Å²	34	19.2 Å²	19.2	15%	0.149	10%	0.096	C	C	.	.			trans	-63.4	116.7	-179.9	-173.8	-86.6	0	0	0	112.1	M656 S658 L740 D749 K750 P754 R757 V1003	M656-F752 HydrophobicContact CE-CB 4.21Å; M656-F752 VanDerWaalsContact CE-O 3.26Å; M656-F752 WeakPolarHBondContact CE-O 3.35Å; S658-F752 VanDerWaalsContact CB-O 3.23Å; S658-F752 WeakPolarHBondContact CB-O 3.44Å; L740-F752 HydrophobicContact CD2-CD1 3.95Å; L740-F752 HydrophobicContact CD2-CE1 3.73Å; D749-F752 VanDerWaalsContact O-CB 3.25Å; D749-F752 WeakPolarHBondContact O-CB 3.08Å; D749-F752 PolarHBondContact O-N 2.93Å; K750-F752 VanDerWaalsContact C-N 3.3Å; F752-P754 HydrophobicContact CE1-CB 4.12Å; F752-R757 HydrophobicContact CE1-CG 4.4Å; F752-R757 HydrophobicContact CE2-CG 4.39Å; F752-R757 HydrophobicContact CZ-CG 3.83Å; F752-V1003 HydrophobicContact CD2-CG1 3.73Å; F752-V1003 HydrophobicContact CE2-CG1 4.19Å
753	D	89.1	Confident	88.9	Confident	8 Å²	8	19 Å²	19	4%	0.043	10%	0.095	C	C	.	.			trans	-107.2	111.7	171.8	-168.2	-16	0	0	0	111.3	R524 A751 T755 R756	R524-D753 IonicContact CZ-OD2 3.73Å; R524-D753 IonicContact NH1-OD2 3.67Å; R524-D753 PolarHBondContact NH1-OD2 3.18Å; R524-D753 IonicContact NH2-OD2 2.67Å; R524-D753 PolarHBondContact NH2-OD2 3.36Å; A751-D753 PolarHBondContact O-N 2.67Å; D753-T755 PolarHBondContact O-N 3.19Å; D753-T755 WeakPolarHBondContact OD1-CB 3.44Å; D753-T755 PolarHBondContact OD1-N 2.63Å; D753-T755 PolarHBondContact OD1-OG1 3.01Å; D753-T755 PolarHBondContact OD2-OG1 3.47Å; D753-R756 HydrophobicContact CB-CB 4.31Å; D753-R756 HydrophobicContact CB-CG 3.94Å; D753-R756 PolarHBondContact O-N 2.67Å
754	P	90.3	Very high	88.5	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-62.4	-28.7	177.6	28.2	-36.3	0	0	0	112.3	A734 L740 F752 R756 R757 W759 Y760	A734-P754 HydrophobicContact CB-CB 3.55Å; A734-P754 HydrophobicContact CB-CG 3.81Å; L740-P754 HydrophobicContact CB-CG 4.28Å; L740-P754 HydrophobicContact CD1-CB 4.29Å; F752-P754 HydrophobicContact CE1-CB 4.12Å; P754-R756 PolarHBondContact O-N 3.17Å; P754-R757 PolarHBondContact O-N 2.61Å; P754-W759 HydrophobicContact CB-CH2 4.35Å; P754-W759 HydrophobicContact CB-CZ2 4.12Å; P754-Y760 WeakPolarHBondContact O-CB 3.46Å
755	T	87.1	Confident	87.8	Confident	12 Å²	12	20.3 Å²	20.3	7%	0.074	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-70.7	-14.6	-176.4	71	0	0	0	0	113.4	D753 Y760	D753-T755 PolarHBondContact O-N 3.19Å; D753-T755 WeakPolarHBondContact OD1-CB 3.44Å; D753-T755 PolarHBondContact OD1-N 2.63Å; D753-T755 PolarHBondContact OD1-OG1 3.01Å; D753-T755 PolarHBondContact OD2-OG1 3.47Å; T755-Y760 HydrophobicContact CG2-CE1 4.24Å; T755-Y760 HydrophobicContact CG2-CE2 4.4Å; T755-Y760 WeakPolarHBondContact O-CD1 3.36Å
756	R	85.8	Confident	87.2	Confident	39 Å²	39	21.3 Å²	21.3	15%	0.147	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-102.1	2.2	-179.2	-58.4	-71.9	174.5	155.3	-3.3	113.1	D753 P754 V998 E1001	D753-R756 HydrophobicContact CB-CB 4.31Å; D753-R756 HydrophobicContact CB-CG 3.94Å; D753-R756 PolarHBondContact O-N 2.67Å; P754-R756 PolarHBondContact O-N 3.17Å; R756-V998 VanDerWaalsContact NH1-CG1 3.27Å; R756-E1001 HydrophobicContact CB-CG 4.23Å; R756-E1001 HydrophobicContact CG-CG 4.46Å; R756-E1001 WeakPolarHBondContact CG-OE2 3.4Å
757	R	87.1	Confident	86.5	Confident	20 Å²	20	24.5 Å²	24.5	8%	0.075	13%	0.134	C	C	.	.	S	Bend	trans	-85.4	145.8	179	-54.1	-54.2	-62.5	160.8	-5.9	111.5	F752 P754 W759 Y760 L761 E1001	F752-R757 HydrophobicContact CE1-CG 4.4Å; F752-R757 HydrophobicContact CE2-CG 4.39Å; F752-R757 HydrophobicContact CZ-CG 3.83Å; P754-R757 PolarHBondContact O-N 2.61Å; R757-W759 VanDerWaalsContact C-N 3.31Å; R757-W759 HydrophobicContact CB-CG 4.36Å; R757-W759 PolarHBondContact O-N 3.44Å; R757-Y760 WeakPolarHBondContact O-CB 3.42Å; R757-Y760 PolarHBondContact O-N 2.96Å; R757-L761 PolarHBondContact O-N 2.96Å; R757-L761 VanDerWaalsContact O-N 3.09Å; R757-E1001 PolarHBondContact NH1-O 3.21Å
758	Q	86.1	Confident	86	Confident	62 Å²	62	26.2 Å²	26.2	29%	0.29	15%	0.153	S	C	.	.	H	α-helix	trans	-51.8	-47.1	-179.5	-67.4	-174.7	-1	0	0	112.4	Y760 L761 H762 T773	Q758-Y760 PolarHBondContact O-N 2.74Å; Q758-L761 PolarHBondContact O-N 3Å; Q758-L761 VanDerWaalsContact O-N 3.15Å; Q758-H762 WeakPolarHBondContact O-CB 3.24Å; Q758-H762 PolarHBondContact O-CD2 2.86Å; Q758-H762 VanDerWaalsContact O-CD2 3.28Å; Q758-H762 PolarHBondContact O-N 3Å; Q758-T773 HydrophobicContact CB-CG2 3.73Å
759	W	90.4	Very high	86	Confident	6 Å²	6	27.6 Å²	27.6	2%	0.023	16%	0.161	C	C	.	.	H	α-helix	trans	-59.5	-31	179.9	65.7	-106.9	0	0	0	114.3	Y732 A734 P754 R757 A763 T773 T787 S789 V807	Y732-W759 AromaticContact CD2-CH2 3.67Å; Y732-W759 HydrophobicContact CD2-CH2 3.67Å; Y732-W759 AromaticContact CD2-CZ2 3.69Å; Y732-W759 HydrophobicContact CD2-CZ2 3.69Å; Y732-W759 HydrophobicContact CD2-CZ3 4.14Å; Y732-W759 AromaticContact CE2-CD2 3.59Å; Y732-W759 HydrophobicContact CE2-CD2 3.59Å; Y732-W759 AromaticContact CE2-CE2 3.31Å; Y732-W759 AromaticContact CE2-CE3 3.78Å; Y732-W759 HydrophobicContact CE2-CE3 3.78Å; Y732-W759 HydrophobicContact CE2-CG 4.28Å; Y732-W759 AromaticContact CE2-CH2 3.55Å; Y732-W759 HydrophobicContact CE2-CH2 3.55Å; Y732-W759 AromaticContact CE2-CZ2 3.32Å; Y732-W759 HydrophobicContact CE2-CZ2 3.32Å; Y732-W759 AromaticContact CE2-CZ3 3.76Å; Y732-W759 HydrophobicContact CE2-CZ3 3.76Å; Y732-W759 AromaticContact CE2-NE1 3.78Å; Y732-W759 AromaticContact CZ-CE2 3.78Å; Y732-W759 AromaticContact CZ-NE1 3.74Å; Y732-W759 PolarHBondContact OH-NE1 3.39Å; A734-W759 HydrophobicContact CB-CH2 3.76Å; P754-W759 HydrophobicContact CB-CH2 4.35Å; P754-W759 HydrophobicContact CB-CZ2 4.12Å; R757-W759 VanDerWaalsContact C-N 3.31Å; R757-W759 HydrophobicContact CB-CG 4.36Å; R757-W759 PolarHBondContact O-N 3.44Å; W759-A763 WeakPolarHBondContact O-CB 3.48Å; W759-A763 PolarHBondContact O-N 2.85Å; W759-T773 WeakPolarHBondContact CA-OG1 3.27Å; W759-T787 HydrophobicContact CB-CG2 3.57Å; W759-T787 HydrophobicContact CG-CG2 4.05Å; W759-S789 WeakPolarHBondContact O-CB 3.06Å; W759-S789 PolarHBondContact O-OG 3.26Å; W759-V807 HydrophobicContact CE3-CG1 4.06Å; W759-V807 HydrophobicContact CZ3-CB 4.09Å; W759-V807 HydrophobicContact CZ3-CG1 3.76Å
760	Y	90.1	Very high	86.2	Confident	7 Å²	7	26.5 Å²	26.5	3%	0.027	16%	0.155	C	C	.	.	H	α-helix	trans	-77.8	-44.9	177.7	-173.3	-81.4	0	0	0	110	A734 P736 P754 T755 R757 Q758 A763 V764 V807	A734-Y760 HydrophobicContact CB-CD2 4.24Å; A734-Y760 HydrophobicContact CB-CE2 4.2Å; P736-Y760 WeakPolarHBondContact CA-OH 3.29Å; P754-Y760 WeakPolarHBondContact O-CB 3.46Å; T755-Y760 HydrophobicContact CG2-CE1 4.24Å; T755-Y760 HydrophobicContact CG2-CE2 4.4Å; T755-Y760 WeakPolarHBondContact O-CD1 3.36Å; R757-Y760 WeakPolarHBondContact O-CB 3.42Å; R757-Y760 PolarHBondContact O-N 2.96Å; Q758-Y760 PolarHBondContact O-N 2.74Å; Y760-A763 PolarHBondContact O-N 3Å; Y760-V764 HydrophobicContact CD1-CG2 4.07Å; Y760-V764 HydrophobicContact CE1-CG2 3.76Å; Y760-V764 WeakPolarHBondContact O-CG2 3.06Å; Y760-V764 PolarHBondContact O-N 2.84Å; Y760-V807 HydrophobicContact CD2-CB 3.7Å; Y760-V807 HydrophobicContact CD2-CG1 4.33Å; Y760-V807 HydrophobicContact CD2-CG2 3.7Å; Y760-V807 HydrophobicContact CE1-CG2 4.47Å; Y760-V807 HydrophobicContact CE2-CB 3.76Å; Y760-V807 HydrophobicContact CE2-CG2 3.44Å; Y760-V807 VanDerWaalsContact CE2-CG2 3.44Å; Y760-V807 HydrophobicContact CG-CG2 4.3Å
761	L	85.8	Confident	86.5	Confident	49 Å²	49	24.8 Å²	24.8	26%	0.257	15%	0.147	S	C	.	.	H	α-helix	trans	-64.2	-41.7	177.5	-63.4	173.7	0	0	0	112	R757 Q758 V764 A765	R757-L761 PolarHBondContact O-N 2.96Å; R757-L761 VanDerWaalsContact O-N 3.09Å; Q758-L761 PolarHBondContact O-N 3Å; Q758-L761 VanDerWaalsContact O-N 3.15Å; L761-V764 PolarHBondContact O-N 2.95Å; L761-A765 VanDerWaalsContact O-CB 3.28Å; L761-A765 WeakPolarHBondContact O-CB 3.5Å; L761-A765 PolarHBondContact O-N 2.89Å
762	H	85.4	Confident	86.7	Confident	12 Å²	12	23 Å²	23	6%	0.056	13%	0.132	C	C	.	.	H	α-helix	trans	-64.4	-41.9	177.8	-75.4	-154	0	0	0	111.4	Q758 A765 N766 S771 E842	Q758-H762 WeakPolarHBondContact O-CB 3.24Å; Q758-H762 PolarHBondContact O-CD2 2.86Å; Q758-H762 VanDerWaalsContact O-CD2 3.28Å; Q758-H762 PolarHBondContact O-N 3Å; H762-A765 PolarHBondContact O-N 3.42Å; H762-N766 WeakPolarHBondContact O-CB 3.43Å; H762-N766 PolarHBondContact O-N 2.77Å; H762-N766 VanDerWaalsContact O-N 3.13Å; H762-N766 PolarHBondContact O-ND2 2.73Å; H762-S771 PolarHBondContact O-OG 2.53Å; H762-E842 IonicContact CE1-OE1 3.9Å; H762-E842 IonicContact CE1-OE2 2.75Å; H762-E842 PolarHBondContact CE1-OE2 3.01Å; H762-E842 IonicContact ND1-OE2 3.63Å
763	A	88.2	Confident	86.8	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.4	-47.3	174.1	0	0	0	0	0	112.6	W759 Y760 A765 N766 S771 T791 V807	W759-A763 WeakPolarHBondContact O-CB 3.48Å; W759-A763 PolarHBondContact O-N 2.85Å; Y760-A763 PolarHBondContact O-N 3Å; A763-A765 PolarHBondContact O-N 3.41Å; A763-N766 CarbonylContact O-C 3.58Å; A763-N766 PolarHBondContact O-N 2.82Å; A763-S771 WeakPolarHBondContact CA-OG 3.14Å; A763-T791 HydrophobicContact CB-CG2 4.02Å; A763-T791 VanDerWaalsContact O-CG2 3.24Å; A763-T791 WeakPolarHBondContact O-CG2 3.47Å; A763-V807 HydrophobicContact CB-CG1 3.51Å
764	V	83.2	Confident	86.7	Confident	10 Å²	10	21.3 Å²	21.3	6%	0.061	13%	0.126	C	C	.	.	H	α-helix	trans	-67	-25.3	178.9	173.4	0	0	0	0	112.2	L503 K577 Y760 L761 V807	L503-V764 HydrophobicContact CD1-CG1 4.44Å; K577-V764 HydrophobicContact CB-CG1 4.46Å; K577-V764 HydrophobicContact CD-CG1 4.21Å; K577-V764 HydrophobicContact CG-CG1 4.15Å; Y760-V764 HydrophobicContact CD1-CG2 4.07Å; Y760-V764 HydrophobicContact CE1-CG2 3.76Å; Y760-V764 WeakPolarHBondContact O-CG2 3.06Å; Y760-V764 PolarHBondContact O-N 2.84Å; L761-V764 PolarHBondContact O-N 2.95Å; V764-V807 HydrophobicContact CG2-CG2 3.92Å
765	A	78.4	Confident	86.7	Confident	35 Å²	35	21.7 Å²	21.7	29%	0.289	13%	0.129	S	C	.	.	H	α-helix	trans	-79.3	-17.9	171.6	0	0	0	0	0	114	L761 H762 A763 P767	L761-A765 VanDerWaalsContact O-CB 3.28Å; L761-A765 WeakPolarHBondContact O-CB 3.5Å; L761-A765 PolarHBondContact O-N 2.89Å; H762-A765 PolarHBondContact O-N 3.42Å; A763-A765 PolarHBondContact O-N 3.41Å; A765-P767 VanDerWaalsContact C-CD 3.45Å
766	N	80.2	Confident	86.6	Confident	21 Å²	21	22.2 Å²	22.2	11%	0.112	13%	0.13	C	C	.	.	S	Bend	trans	-128.1	57.2	-178.5	-66.3	-79	0	0	0	111.4	H762 A763 G768 L769	H762-N766 WeakPolarHBondContact O-CB 3.43Å; H762-N766 PolarHBondContact O-N 2.77Å; H762-N766 VanDerWaalsContact O-N 3.13Å; H762-N766 PolarHBondContact O-ND2 2.73Å; A763-N766 CarbonylContact O-C 3.58Å; A763-N766 PolarHBondContact O-N 2.82Å; N766-G768 PolarHBondContact O-N 3.11Å; N766-L769 HydrophobicContact CB-CB 4.25Å; N766-L769 HydrophobicContact CB-CD1 4.3Å; N766-L769 PolarHBondContact O-N 2.8Å
767	P	78.1	Confident	86.5	Confident	66 Å²	66	21.8 Å²	21.8	43%	0.429	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	129.1	-171.2	25.5	-35.2	0	0	0	112.2	A765 L769	A765-P767 VanDerWaalsContact C-CD 3.45Å; P767-L769 VanDerWaalsContact C-N 3.27Å; P767-L769 PolarHBondContact O-N 3.44Å
768	G	79.9	Confident	86.5	Confident	43 Å²	43	21.1 Å²	21.1	44%	0.443	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	6.2	-178.1	0	0	0	0	0	115.5	N766 T791	N766-G768 PolarHBondContact O-N 3.11Å; G768-T791 PolarHBondContact N-OG1 3.09Å
769	L	88	Confident	86.1	Confident	43 Å²	43	19.5 Å²	19.5	23%	0.225	12%	0.123	C	C	.	.	S	Bend	trans	-103.1	153.7	165.7	-59.7	178.7	0	0	0	110.3	N766 P767 S771	N766-L769 HydrophobicContact CB-CB 4.25Å; N766-L769 HydrophobicContact CB-CD1 4.3Å; N766-L769 PolarHBondContact O-N 2.8Å; P767-L769 VanDerWaalsContact C-N 3.27Å; P767-L769 PolarHBondContact O-N 3.44Å; L769-S771 PolarHBondContact O-N 3.37Å
770	I	93.3	Very high	85.6	Confident	16 Å²	16	19.3 Å²	19.3	8%	0.082	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	-75	114.7	168.4	-55.9	170.1	0	0	0	107.2	M52 R53 A56 L772 I788 G931 T932 N933	M52-I770 HydrophobicContact CB-CD1 4.3Å; R53-I770 HydrophobicContact CB-CD1 4.31Å; A56-I770 HydrophobicContact CB-CD1 3.91Å; A56-I770 HydrophobicContact CB-CG1 4.1Å; I770-L772 HydrophobicContact CG2-CD1 4.35Å; I770-I788 HydrophobicContact CG2-CG2 3.54Å; I770-G931 PolarHBondContact N-O 3.05Å; I770-T932 HydrophobicContact CB-CG2 4.25Å; I770-T932 WeakPolarHBondContact O-CA 3.45Å; I770-T932 WeakPolarHBondContact O-CB 3.41Å; I770-N933 PolarHBondContact O-N 2.82Å
771	S	92.4	Very high	85.1	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	121.8	-177.5	-62.7	0	0	0	0	110.2	H762 A763 L769 I788 S789 N933	H762-S771 PolarHBondContact O-OG 2.53Å; A763-S771 WeakPolarHBondContact CA-OG 3.14Å; L769-S771 PolarHBondContact O-N 3.37Å; S771-I788 CarbonylContact O-C 3.52Å; S771-I788 WeakPolarHBondContact O-CA 3.35Å; S771-S789 PolarHBondContact N-O 2.95Å; S771-S789 PolarHBondContact O-N 3.03Å; S771-N933 WeakPolarHBondContact CA-OD1 3.37Å
772	L	92.8	Very high	84.9	Confident	0 Å²	0	17 Å²	17	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	139.6	167.7	-71.2	75.2	0	0	0	107.9	M52 I770 I788 I840 V848 T932 N933 A934	M52-L772 HydrophobicContact CE-CD2 4.15Å; M52-L772 HydrophobicContact SD-CD2 4.33Å; I770-L772 HydrophobicContact CG2-CD1 4.35Å; L772-I788 HydrophobicContact CG-CG1 4.47Å; L772-I840 HydrophobicContact CD2-CG2 4.43Å; L772-V848 HydrophobicContact CD2-CG1 4.35Å; L772-T932 HydrophobicContact CD1-CG2 4.27Å; L772-N933 PolarHBondContact N-OD1 3.17Å; L772-N933 PolarHBondContact O-ND2 3.34Å; L772-N933 VanDerWaalsContact O-ND2 3.07Å; L772-A934 HydrophobicContact CB-CB 4.48Å; L772-A934 HydrophobicContact CD1-CB 4.18Å; L772-A934 HydrophobicContact CD2-CB 4.04Å; L772-A934 HydrophobicContact CG-CB 4.47Å
773	T	91	Very high	84.8	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.8	172.8	-50.9	0	0	0	0	108.5	Q758 W759 Y776 T787 E842	Q758-T773 HydrophobicContact CB-CG2 3.73Å; W759-T773 WeakPolarHBondContact CA-OG1 3.27Å; T773-Y776 HydrophobicContact CG2-CD1 4.49Å; T773-Y776 HydrophobicContact CG2-CE1 4.5Å; T773-T787 PolarHBondContact N-O 2.86Å; T773-E842 WeakPolarHBondContact CA-OE2 3.19Å
774	G	87.9	Confident	84.7	Confident	6 Å²	6	18.3 Å²	18.3	6%	0.062	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	163.4	176.8	0	0	0	0	0	114	Y776 E842	G774-Y776 PolarHBondContact O-N 2.85Å; G774-E842 PolarHBondContact N-OE2 3.25Å
775	P	88.5	Confident	85	Confident	9 Å²	9	17.9 Å²	17.9	6%	0.058	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	132.5	-174.8	-26.4	35.4	0	0	0	113.4	V785 V786 L814 L847 L853 V862 E863	P775-V785 WeakPolarHBondContact CA-O 3.4Å; P775-V786 HydrophobicContact CB-CG2 4.31Å; P775-V786 HydrophobicContact CG-CG2 3.93Å; P775-L814 HydrophobicContact CB-CD1 3.9Å; P775-L814 HydrophobicContact CG-CD1 3.58Å; P775-L847 WeakPolarHBondContact CD-O 3.33Å; P775-L847 WeakPolarHBondContact CG-O 3.47Å; P775-L853 HydrophobicContact CG-CD2 4.44Å; P775-V862 HydrophobicContact CB-CG1 3.74Å; P775-V862 HydrophobicContact CG-CG1 4.21Å; P775-E863 WeakPolarHBondContact O-CA 3.19Å; P775-E863 VanDerWaalsContact O-CG 3.24Å; P775-E863 WeakPolarHBondContact O-CG 3.33Å
776	Y	86.3	Confident	85.7	Confident	22 Å²	22	16.2 Å²	16.2	9%	0.086	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	161.7	169.6	67.9	-88.8	0	0	0	112.2	T773 G774 Y784 V785 T787 D811	T773-Y776 HydrophobicContact CG2-CD1 4.49Å; T773-Y776 HydrophobicContact CG2-CE1 4.5Å; G774-Y776 PolarHBondContact O-N 2.85Å; Y776-Y784 WeakPolarHBondContact O-CA 3.3Å; Y776-V785 HydrophobicContact CD2-CG2 4.27Å; Y776-V785 HydrophobicContact CE1-CG2 4.4Å; Y776-V785 HydrophobicContact CE2-CG2 3.97Å; Y776-V785 PolarHBondContact N-O 2.91Å; Y776-V785 WeakPolarHBondContact O-CG2 3.44Å; Y776-V785 PolarHBondContact O-N 2.9Å; Y776-T787 WeakPolarHBondContact CE1-OG1 3.43Å; Y776-T787 PolarHBondContact OH-OG1 3.19Å; Y776-D811 PolarHBondContact OH-OD1 3.43Å
777	L	84.1	Confident	86.4	Confident	30 Å²	30	15.2 Å²	15.2	16%	0.157	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	124.7	-177.1	-153.5	76.5	0	0	0	111.6	Y784 E863 P1073 Y1074	L777-Y784 HydrophobicContact CB-CD1 4.33Å; L777-Y784 HydrophobicContact CB-CE1 4.17Å; L777-Y784 HydrophobicContact CD1-CD1 3.65Å; L777-Y784 HydrophobicContact CD1-CD2 4.19Å; L777-Y784 HydrophobicContact CD1-CE1 3.39Å; L777-Y784 HydrophobicContact CD1-CE2 3.98Å; L777-Y784 HydrophobicContact CD1-CG 4.04Å; L777-Y784 HydrophobicContact CG-CE1 4.35Å; L777-E863 WeakPolarHBondContact CB-OE1 3.41Å; L777-E863 PolarHBondContact N-OE1 3.03Å; L777-P1073 HydrophobicContact CD1-CB 3.89Å; L777-P1073 HydrophobicContact CD1-CG 3.97Å; L777-P1073 HydrophobicContact CD2-CB 3.84Å; L777-Y1074 HydrophobicContact CB-CE2 4.43Å; L777-Y1074 HydrophobicContact CD1-CE2 4.18Å; L777-Y1074 HydrophobicContact CD2-CD1 4.25Å; L777-Y1074 HydrophobicContact CD2-CD2 4.13Å; L777-Y1074 HydrophobicContact CD2-CE1 3.69Å; L777-Y1074 HydrophobicContact CD2-CE2 3.57Å; L777-Y1074 HydrophobicContact CD2-CG 4.43Å; L777-Y1074 WeakPolarHBondContact CD2-OH 3.46Å; L777-Y1074 HydrophobicContact CG-CD2 4.22Å; L777-Y1074 HydrophobicContact CG-CE1 4.33Å; L777-Y1074 HydrophobicContact CG-CE2 3.38Å; L777-Y1074 VanDerWaalsContact CG-CZ 3.43Å; L777-Y1074 VanDerWaalsContact CG-OH 3.28Å; L777-Y1074 WeakPolarHBondContact CG-OH 3.27Å; L777-Y1074 PolarHBondContact O-OH 3.4Å; L777-Y1074 VanDerWaalsContact O-OH 3.14Å
778	D	85.3	Confident	87.2	Confident	6 Å²	6	12 Å²	12	3%	0.032	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	114.8	-177.9	171.6	63.4	0	0	0	113.1	R730 G780 G781 A782 G783 V785 Y1074	R730-D778 IonicContact CZ-OD1 2.7Å; R730-D778 IonicContact CZ-OD2 3.34Å; R730-D778 IonicContact NE-OD1 2.64Å; R730-D778 PolarHBondContact NE-OD1 3.09Å; R730-D778 IonicContact NE-OD2 3.06Å; R730-D778 IonicContact NH2-OD1 3.77Å; R730-D778 PolarHBondContact NH2-OD1 2.92Å; R730-D778 IonicContact NH2-OD2 3.54Å; R730-D778 PolarHBondContact NH2-OD2 3.43Å; D778-G780 PolarHBondContact O-N 2.78Å; D778-G780 PolarHBondContact OD2-N 2.81Å; D778-G781 PolarHBondContact O-N 3.08Å; D778-G781 PolarHBondContact OD2-N 3.38Å; D778-A782 HydrophobicContact CB-CB 4.03Å; D778-A782 VanDerWaalsContact OD2-CB 3.27Å; D778-A782 WeakPolarHBondContact OD2-CB 3.44Å; D778-A782 PolarHBondContact OD2-N 3.32Å; D778-G783 PolarHBondContact N-O 3.18Å; D778-V785 HydrophobicContact CB-CB 4.44Å; D778-V785 HydrophobicContact CB-CG1 3.7Å; D778-V785 HydrophobicContact CB-CG2 3.87Å; D778-Y1074 PolarHBondContact N-OH 3.47Å; D778-Y1074 WeakPolarHBondContact O-CE2 3.5Å; D778-Y1074 PolarHBondContact O-OH 3.45Å; D778-Y1074 VanDerWaalsContact O-OH 3.09Å
779	V	79.1	Confident	88	Confident	29 Å²	29	10 Å²	10	18%	0.176	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.6	-172.7	-171.5	0	0	0	0	113.6	G781 V1003 Y1005 Y1074	V779-G781 PolarHBondContact O-N 3.3Å; V779-V1003 HydrophobicContact CB-CG1 4.39Å; V779-V1003 HydrophobicContact CG1-CB 4.29Å; V779-V1003 HydrophobicContact CG1-CG1 3.89Å; V779-V1003 HydrophobicContact CG2-CB 3.7Å; V779-V1003 HydrophobicContact CG2-CG1 3.82Å; V779-V1003 HydrophobicContact CG2-CG2 4.06Å; V779-Y1005 WeakPolarHBondContact O-CD2 3.2Å; V779-Y1074 WeakPolarHBondContact CA-OH 3.22Å; V779-Y1074 PolarHBondContact N-OH 2.04Å
780	G	78.7	Confident	88.2	Confident	1 Å²	1	9.3 Å²	9.3	1%	0.01	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-7.5	174.6	0	0	0	0	0	114.7	K645 Q646 D778	K645-G780 WeakPolarHBondContact CB-O 3.07Å; K645-G780 PolarHBondContact N-O 3.13Å; Q646-G780 PolarHBondContact N-O 3.26Å; D778-G780 PolarHBondContact O-N 2.78Å; D778-G780 PolarHBondContact OD2-N 2.81Å
781	G	80.6	Confident	88.1	Confident	5 Å²	5	8.6 Å²	8.6	5%	0.052	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.5	5.6	172.6	0	0	0	0	0	115.7	D778 V779 G783	D778-G781 PolarHBondContact O-N 3.08Å; D778-G781 PolarHBondContact OD2-N 3.38Å; V779-G781 PolarHBondContact O-N 3.3Å; G781-G783 PolarHBondContact O-N 3.42Å; G781-G783 VanDerWaalsContact O-N 3.1Å
782	A	82.3	Confident	88	Confident	3 Å²	3	8.6 Å²	8.6	3%	0.025	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-0.8	-174.6	0	0	0	0	0	115.7	F644 V729 D778 V785 Q1060	F644-A782 HydrophobicContact CD1-CB 4.13Å; F644-A782 HydrophobicContact CD2-CB 3.75Å; F644-A782 HydrophobicContact CE1-CB 3.99Å; F644-A782 HydrophobicContact CE2-CB 3.61Å; F644-A782 HydrophobicContact CG-CB 4.01Å; F644-A782 HydrophobicContact CZ-CB 3.73Å; V729-A782 HydrophobicContact CB-CB 4.44Å; V729-A782 HydrophobicContact CG1-CB 3.55Å; V729-A782 HydrophobicContact CG2-CB 3.95Å; D778-A782 HydrophobicContact CB-CB 4.03Å; D778-A782 VanDerWaalsContact OD2-CB 3.27Å; D778-A782 WeakPolarHBondContact OD2-CB 3.44Å; D778-A782 PolarHBondContact OD2-N 3.32Å; A782-V785 HydrophobicContact CB-CG1 4.45Å; A782-Q1060 PolarHBondContact O-NE2 3.37Å; A782-Q1060 VanDerWaalsContact O-NE2 3.09Å; A782-Q1060 PolarHBondContact O-OE1 2.03Å
783	G	82.8	Confident	87.7	Confident	1 Å²	1	9.8 Å²	9.8	1%	0.01	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	90.7	-141.1	-174.9	0	0	0	0	0	112.1	D778 G781	D778-G783 PolarHBondContact N-O 3.18Å; G781-G783 PolarHBondContact O-N 3.42Å; G781-G783 VanDerWaalsContact O-N 3.1Å
784	Y	86	Confident	87	Confident	39 Å²	39	10.4 Å²	10.4	15%	0.153	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	129.3	176	-70.6	-71.1	0	0	0	111.3	Y776 L777 L814 V862 E863 P1073	Y776-Y784 WeakPolarHBondContact O-CA 3.3Å; L777-Y784 HydrophobicContact CB-CD1 4.33Å; L777-Y784 HydrophobicContact CB-CE1 4.17Å; L777-Y784 HydrophobicContact CD1-CD1 3.65Å; L777-Y784 HydrophobicContact CD1-CD2 4.19Å; L777-Y784 HydrophobicContact CD1-CE1 3.39Å; L777-Y784 HydrophobicContact CD1-CE2 3.98Å; L777-Y784 HydrophobicContact CD1-CG 4.04Å; L777-Y784 HydrophobicContact CG-CE1 4.35Å; Y784-L814 WeakPolarHBondContact O-CB 3.31Å; Y784-L814 PolarHBondContact O-N 2.98Å; Y784-V862 HydrophobicContact CD1-CB 3.9Å; Y784-V862 HydrophobicContact CD1-CG1 4.27Å; Y784-V862 HydrophobicContact CD1-CG2 4.48Å; Y784-V862 HydrophobicContact CD2-CB 3.89Å; Y784-V862 HydrophobicContact CD2-CG1 4.36Å; Y784-V862 HydrophobicContact CD2-CG2 3.55Å; Y784-V862 HydrophobicContact CE1-CB 3.87Å; Y784-V862 HydrophobicContact CE1-CG2 4.38Å; Y784-V862 HydrophobicContact CE2-CB 3.85Å; Y784-V862 HydrophobicContact CE2-CG2 3.42Å; Y784-V862 VanDerWaalsContact CE2-CG2 3.42Å; Y784-V862 HydrophobicContact CG-CB 3.91Å; Y784-V862 HydrophobicContact CG-CG1 4.08Å; Y784-V862 HydrophobicContact CG-CG2 4.1Å; Y784-E863 HydrophobicContact CD1-CG 4.33Å; Y784-E863 HydrophobicContact CE1-CG 3.89Å; Y784-P1073 HydrophobicContact CE2-CG 4.28Å
785	V	90	Very high	86.1	Confident	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	157.3	-179.6	-63.8	0	0	0	0	112.1	V729 P775 Y776 D778 A782 D811 F812	V729-V785 HydrophobicContact CB-CG1 4.39Å; V729-V785 HydrophobicContact CG1-CG1 4.48Å; V729-V785 HydrophobicContact CG2-CG1 3.82Å; P775-V785 WeakPolarHBondContact CA-O 3.4Å; Y776-V785 HydrophobicContact CD2-CG2 4.27Å; Y776-V785 HydrophobicContact CE1-CG2 4.4Å; Y776-V785 HydrophobicContact CE2-CG2 3.97Å; Y776-V785 PolarHBondContact N-O 2.91Å; Y776-V785 WeakPolarHBondContact O-CG2 3.44Å; Y776-V785 PolarHBondContact O-N 2.9Å; D778-V785 HydrophobicContact CB-CB 4.44Å; D778-V785 HydrophobicContact CB-CG1 3.7Å; D778-V785 HydrophobicContact CB-CG2 3.87Å; A782-V785 HydrophobicContact CB-CG1 4.45Å; V785-D811 HydrophobicContact CB-CB 4.24Å; V785-D811 HydrophobicContact CG2-CB 4.47Å; V785-F812 VanDerWaalsContact CA-O 3.27Å; V785-F812 WeakPolarHBondContact CA-O 3.3Å; V785-F812 WeakPolarHBondContact CB-O 3.46Å
786	V	92.3	Very high	84.4	Confident	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127	173	168.3	0	0	0	0	108.2	P775 F812 L814 F817 V848	P775-V786 HydrophobicContact CB-CG2 4.31Å; P775-V786 HydrophobicContact CG-CG2 3.93Å; V786-F812 PolarHBondContact N-O 2.78Å; V786-F812 PolarHBondContact O-N 2.82Å; V786-L814 HydrophobicContact CG2-CD1 4.36Å; V786-F817 HydrophobicContact CB-CD2 3.61Å; V786-F817 HydrophobicContact CB-CE2 3.61Å; V786-F817 HydrophobicContact CG1-CD2 3.45Å; V786-F817 VanDerWaalsContact CG1-CD2 3.45Å; V786-F817 HydrophobicContact CG1-CE2 3.29Å; V786-F817 HydrophobicContact CG1-CG 4.32Å; V786-F817 HydrophobicContact CG1-CZ 4.08Å; V786-F817 HydrophobicContact CG2-CD2 4.21Å; V786-V848 HydrophobicContact CG1-CG1 3.55Å; V786-V848 HydrophobicContact CG2-CG1 4.16Å
787	T	94.3	Very high	82.7	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	134.3	178.6	-50.4	0	0	0	0	111.7	Y732 W759 T773 Y776 I810 D811	Y732-T787 VanDerWaalsContact OH-CG2 3.25Å; Y732-T787 WeakPolarHBondContact OH-CG2 3.37Å; Y732-T787 PolarHBondContact OH-OG1 3.26Å; W759-T787 HydrophobicContact CB-CG2 3.57Å; W759-T787 HydrophobicContact CG-CG2 4.05Å; T773-T787 PolarHBondContact N-O 2.86Å; Y776-T787 WeakPolarHBondContact CE1-OG1 3.43Å; Y776-T787 PolarHBondContact OH-OG1 3.19Å; T787-I810 WeakPolarHBondContact CA-O 3.39Å; T787-D811 WeakPolarHBondContact CB-OD1 3.41Å; T787-D811 PolarHBondContact OG1-OD1 3.42Å
788	I	95.5	Very high	80.8	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	131.6	153.5	-67.3	177.5	0	0	0	108.5	M52 L55 I770 S771 L772 G809 I810 F812 F817	M52-I788 HydrophobicContact SD-CD1 3.99Å; L55-I788 HydrophobicContact CB-CD1 4.09Å; L55-I788 HydrophobicContact CD1-CD1 3.74Å; I770-I788 HydrophobicContact CG2-CG2 3.54Å; S771-I788 CarbonylContact O-C 3.52Å; S771-I788 WeakPolarHBondContact O-CA 3.35Å; L772-I788 HydrophobicContact CG-CG1 4.47Å; I788-G809 CarbonylContact O-C 3.54Å; I788-G809 VanDerWaalsContact O-CA 3.23Å; I788-G809 WeakPolarHBondContact O-CA 3.39Å; I788-I810 HydrophobicContact CB-CG2 3.96Å; I788-I810 HydrophobicContact CG2-CG2 4.49Å; I788-I810 PolarHBondContact N-O 2.63Å; I788-I810 PolarHBondContact O-N 2.7Å; I788-F812 HydrophobicContact CD1-CE2 4.02Å; I788-F812 HydrophobicContact CG1-CE2 4.42Å; I788-F817 HydrophobicContact CD1-CE1 3.96Å; I788-F817 HydrophobicContact CD1-CZ 3.75Å; I788-F817 HydrophobicContact CG1-CE1 4.36Å; I788-F817 HydrophobicContact CG1-CZ 3.85Å
789	S	95.9	Very high	78.5	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	156.8	174.9	59.9	0	0	0	0	113.5	W759 S771 M808	W759-S789 WeakPolarHBondContact O-CB 3.06Å; W759-S789 PolarHBondContact O-OG 3.26Å; S771-S789 PolarHBondContact N-O 2.95Å; S771-S789 PolarHBondContact O-N 3.03Å; S789-M808 CarbonylContact C-O 3.59Å; S789-M808 WeakPolarHBondContact CA-O 3.21Å; S789-M808 WeakPolarHBondContact CB-O 3.25Å
790	H	94.1	Very high	76.6	Confident	28 Å²	28	37.2 Å²	37.2	13%	0.13	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	142.9	-179	-164.5	-74.7	0	0	0	111.6	V62 M808	V62-H790 HydrophobicContact CG1-CB 4.34Å; V62-H790 WeakPolarHBondContact CG1-ND1 3.5Å; V62-H790 HydrophobicContact CG2-CB 3.92Å; H790-M808 PolarHBondContact N-O 2.84Å; H790-M808 PolarHBondContact O-N 3.38Å
791	T	91.1	Very high	75.1	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	145.6	177.3	54.8	0	0	0	0	112.5	A763 G768 H793 T804 V807	A763-T791 HydrophobicContact CB-CG2 4.02Å; A763-T791 VanDerWaalsContact O-CG2 3.24Å; A763-T791 WeakPolarHBondContact O-CG2 3.47Å; G768-T791 PolarHBondContact N-OG1 3.09Å; T791-H793 PolarHBondContact OG1-CE1 2.77Å; T791-H793 PolarHBondContact OG1-NE2 3.46Å; T791-T804 HydrophobicContact CG2-CG2 3.93Å; T791-V807 HydrophobicContact CG2-CG2 4.37Å
792	I	90.1	Very high	73.9	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.1	170.7	-55.9	-64	0	0	0	108.4	V62 M65 Q66 F69 T804 V805 A806 M808	V62-I792 HydrophobicContact CG1-CD1 3.91Å; M65-I792 HydrophobicContact CB-CD1 4.3Å; Q66-I792 HydrophobicContact CB-CD1 4.24Å; F69-I792 HydrophobicContact CB-CG2 3.91Å; F69-I792 HydrophobicContact CD2-CG2 3.56Å; F69-I792 HydrophobicContact CE2-CG2 4.19Å; F69-I792 HydrophobicContact CG-CG2 3.84Å; I792-T804 CarbonylContact O-C 3.49Å; I792-T804 WeakPolarHBondContact O-CA 3.23Å; I792-V805 HydrophobicContact CG2-CG2 4.18Å; I792-V805 WeakPolarHBondContact O-CG2 3.37Å; I792-V805 PolarHBondContact O-N 3.27Å; I792-A806 HydrophobicContact CB-CB 4.31Å; I792-A806 PolarHBondContact N-O 3.09Å; I792-A806 PolarHBondContact O-N 3.23Å; I792-M808 HydrophobicContact CD1-CG 4.3Å; I792-M808 HydrophobicContact CD1-SD 3.77Å; I792-M808 HydrophobicContact CG1-CG 3.9Å; I792-M808 HydrophobicContact CG1-SD 3.92Å
793	H	85.1	Confident	73.3	Confident	26 Å²	26	42.2 Å²	42.2	12%	0.12	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	163.3	-170.7	-45	93.1	0	0	0	112.4	Q66 T791 S795 G802 H803	Q66-H793 PolarHBondContact NE2-O 2.93Å; Q66-H793 PolarHBondContact OE1-ND1 3.31Å; T791-H793 PolarHBondContact OG1-CE1 2.77Å; T791-H793 PolarHBondContact OG1-NE2 3.46Å; H793-S795 VanDerWaalsContact C-N 3.35Å; H793-S795 PolarHBondContact O-N 3.05Å; H793-G802 PolarHBondContact CD2-O 2.85Å; H793-H803 WeakPolarHBondContact CA-O 3.39Å
794	S	76.8	Confident	73.2	Confident	12 Å²	12	42.6 Å²	42.6	8%	0.084	25%	0.246	C	C	.	.	S	Bend	trans	-85.3	7.6	178.8	74.3	0	0	0	0	115.5	K614 H803	K614-S794 WeakPolarHBondContact CD-OG 3.37Å; S794-H803 PolarHBondContact N-O 2.92Å; S794-H803 VanDerWaalsContact N-O 3.12Å
795	S	69.1	Low	73.2	Confident	46 Å²	46	41.5 Å²	41.5	32%	0.322	24%	0.243	S	C	.	.			trans	-159.8	150.3	-178.3	-177.3	0	0	0	0	110.8	H793 T797	H793-S795 VanDerWaalsContact C-N 3.35Å; H793-S795 PolarHBondContact O-N 3.05Å; S795-T797 PolarHBondContact OG-N 2.66Å; S795-T797 PolarHBondContact OG-OG1 3.17Å
796	S	53.8	Low	73.2	Confident	86 Å²	86	41.5 Å²	41.5	60%	0.601	24%	0.243	S	C	*	.			trans	-96.6	5.4	178.4	62.3	0	0	0	0	115.1	Q798	S796-Q798 PolarHBondContact O-N 3.03Å
797	T	49.1	Very low	73.3	Confident	80 Å²	80	41.5 Å²	41.5	49%	0.491	24%	0.243	S	C	.	.			trans	-70	93.2	178.2	46	0	0	0	0	111.2	S795 L799 S800	S795-T797 PolarHBondContact OG-N 2.66Å; S795-T797 PolarHBondContact OG-OG1 3.17Å; T797-L799 PolarHBondContact O-N 2.81Å; T797-S800 PolarHBondContact O-N 3.33Å; T797-S800 PolarHBondContact OG1-OG 3.13Å
798	Q	45	Very low	73.4	Confident	198 Å²	198	41.5 Å²	41.5	93%	0.925	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	8.2	-174.6	-65.2	-179	-28.2	0	0	116.5	S796	S796-Q798 PolarHBondContact O-N 3.03Å
799	L	37	Very low	73.4	Confident	178 Å²	178	41.5 Å²	41.5	93%	0.932	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.8	9.3	-177.1	-143.8	75.1	0	0	0	113.5	T797	T797-L799 PolarHBondContact O-N 2.81Å
800	S	38.9	Very low	73.4	Confident	77 Å²	77	41.5 Å²	41.5	54%	0.538	24%	0.243	S	C	.	.	S	Bend	trans	-138.4	144.8	169.3	56.7	0	0	0	0	110.8	T797 G802	T797-S800 PolarHBondContact O-N 3.33Å; T797-S800 PolarHBondContact OG1-OG 3.13Å; S800-G802 VanDerWaalsContact C-N 3.29Å; S800-G802 PolarHBondContact O-N 3.07Å
801	S	47.7	Very low	73.4	Confident	64 Å²	64	40.2 Å²	40.2	45%	0.448	24%	0.237	S	C	.	.			trans	-70.4	81.5	-179.2	47.3	0	0	0	0	111.2
802	G	55.5	Low	73.6	Confident	21 Å²	21	40.2 Å²	40.2	22%	0.216	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-57.8	139	178.3	0	0	0	0	0	112.1	H793 S800 T804	H793-G802 PolarHBondContact CD2-O 2.85Å; S800-G802 VanDerWaalsContact C-N 3.29Å; S800-G802 PolarHBondContact O-N 3.07Å; G802-T804 PolarHBondContact O-N 2.96Å
803	H	70.1	Confident	73.6	Confident	30 Å²	30	40.7 Å²	40.7	14%	0.139	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-59.7	125.3	178	179.2	41	0	0	0	110.6	I611 H793 S794 V805	I611-H803 HydrophobicContact CG2-CB 4.45Å; H793-H803 WeakPolarHBondContact CA-O 3.39Å; S794-H803 PolarHBondContact N-O 2.92Å; S794-H803 VanDerWaalsContact N-O 3.12Å; H803-V805 PolarHBondContact O-N 2.96Å
804	T	79.8	Confident	73.7	Confident	9 Å²	9	40.2 Å²	40.2	6%	0.055	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	119.2	175.6	-65.1	0	0	0	0	109.6	T791 I792 G802 A806 V807	T791-T804 HydrophobicContact CG2-CG2 3.93Å; I792-T804 CarbonylContact O-C 3.49Å; I792-T804 WeakPolarHBondContact O-CA 3.23Å; G802-T804 PolarHBondContact O-N 2.96Å; T804-A806 WeakPolarHBondContact CG2-O 3.23Å; T804-V807 HydrophobicContact CG2-CG2 4.1Å
805	V	85.9	Confident	74.2	Confident	15 Å²	15	41.2 Å²	41.2	9%	0.091	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-21.1	-177.6	-66.4	0	0	0	0	113	F69 Y74 P736 I792 H803	F69-V805 HydrophobicContact CB-CG2 4.45Å; F69-V805 HydrophobicContact CD1-CB 4.33Å; F69-V805 HydrophobicContact CD1-CG2 3.5Å; F69-V805 VanDerWaalsContact CD1-CG2 3.5Å; F69-V805 HydrophobicContact CE1-CB 4.27Å; F69-V805 HydrophobicContact CE1-CG2 3.77Å; F69-V805 HydrophobicContact CG-CG2 4.02Å; F69-V805 HydrophobicContact CZ-CG2 4.5Å; Y74-V805 HydrophobicContact CE1-CG1 4.11Å; P736-V805 WeakPolarHBondContact CD-O 3.38Å; I792-V805 HydrophobicContact CG2-CG2 4.18Å; I792-V805 WeakPolarHBondContact O-CG2 3.37Å; I792-V805 PolarHBondContact O-N 3.27Å; H803-V805 PolarHBondContact O-N 2.96Å
806	A	90.6	Very high	75.2	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	163.2	171.5	0	0	0	0	0	110.6	F69 I733 A734 T735 I792 T804	F69-A806 HydrophobicContact CE2-CB 4.25Å; F69-A806 HydrophobicContact CZ-CB 3.97Å; I733-A806 HydrophobicContact CD1-CB 4.03Å; I733-A806 HydrophobicContact CG1-CB 4.06Å; A734-A806 CarbonylContact O-C 3.55Å; A734-A806 VanDerWaalsContact O-CA 3.28Å; A734-A806 WeakPolarHBondContact O-CA 3.45Å; A734-A806 WeakPolarHBondContact O-CB 3.35Å; T735-A806 HydrophobicContact CG2-CB 4.43Å; I792-A806 HydrophobicContact CB-CB 4.31Å; I792-A806 PolarHBondContact N-O 3.09Å; I792-A806 PolarHBondContact O-N 3.23Å; T804-A806 WeakPolarHBondContact CG2-O 3.23Å
807	V	93.8	Very high	76.9	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	130.2	169	-174.9	0	0	0	0	108.2	I733 A734 W759 Y760 A763 V764 T791 T804	I733-V807 WeakPolarHBondContact CA-O 3.26Å; A734-V807 PolarHBondContact N-O 3.35Å; A734-V807 PolarHBondContact O-N 3.15Å; W759-V807 HydrophobicContact CE3-CG1 4.06Å; W759-V807 HydrophobicContact CZ3-CB 4.09Å; W759-V807 HydrophobicContact CZ3-CG1 3.76Å; Y760-V807 HydrophobicContact CD2-CB 3.7Å; Y760-V807 HydrophobicContact CD2-CG1 4.33Å; Y760-V807 HydrophobicContact CD2-CG2 3.7Å; Y760-V807 HydrophobicContact CE1-CG2 4.47Å; Y760-V807 HydrophobicContact CE2-CB 3.76Å; Y760-V807 HydrophobicContact CE2-CG2 3.44Å; Y760-V807 VanDerWaalsContact CE2-CG2 3.44Å; Y760-V807 HydrophobicContact CG-CG2 4.3Å; A763-V807 HydrophobicContact CB-CG1 3.51Å; V764-V807 HydrophobicContact CG2-CG2 3.92Å; T791-V807 HydrophobicContact CG2-CG2 4.37Å; T804-V807 HydrophobicContact CG2-CG2 4.1Å
808	M	95.9	Very high	78.7	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	147.4	174.7	-60.8	-175.3	76.6	0	0	109.5	L60 V62 M65 V711 W715 Y732 I733 S789 H790 I792	L60-M808 HydrophobicContact CD1-CB 3.9Å; L60-M808 HydrophobicContact CD1-CE 4.22Å; L60-M808 HydrophobicContact CD2-CB 3.85Å; L60-M808 HydrophobicContact CG-CB 3.9Å; L60-M808 HydrophobicContact CG-CE 4.31Å; L60-M808 WeakPolarHBondContact O-CE 3.29Å; V62-M808 HydrophobicContact CG2-SD 4.28Å; M65-M808 HydrophobicContact CB-CE 4.02Å; M65-M808 HydrophobicContact CB-SD 3.47Å; M65-M808 WeakPolarHBondContact CB-SD 3.25Å; M65-M808 HydrophobicContact CG-CE 4.2Å; M65-M808 HydrophobicContact CG-SD 3.76Å; V711-M808 HydrophobicContact CG2-CE 3.74Å; W715-M808 HydrophobicContact CZ2-CE 3.84Å; Y732-M808 WeakPolarHBondContact O-CA 3.34Å; I733-M808 HydrophobicContact CB-CG 4.18Å; I733-M808 HydrophobicContact CD1-CE 4.44Å; I733-M808 HydrophobicContact CD1-CG 3.69Å; I733-M808 HydrophobicContact CD1-SD 4.23Å; I733-M808 HydrophobicContact CG1-CG 3.76Å; S789-M808 CarbonylContact C-O 3.59Å; S789-M808 WeakPolarHBondContact CA-O 3.21Å; S789-M808 WeakPolarHBondContact CB-O 3.25Å; H790-M808 PolarHBondContact N-O 2.84Å; H790-M808 PolarHBondContact O-N 3.38Å; I792-M808 HydrophobicContact CD1-CG 4.3Å; I792-M808 HydrophobicContact CD1-SD 3.77Å; I792-M808 HydrophobicContact CG1-CG 3.9Å; I792-M808 HydrophobicContact CG1-SD 3.92Å
809	G	96.2	Very high	80.8	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	157.9	174.9	0	0	0	0	0	113.6	L60 Y732 I788	L60-G809 WeakPolarHBondContact CD1-O 3.48Å; Y732-G809 PolarHBondContact N-O 3.12Å; Y732-G809 PolarHBondContact O-N 3.37Å; Y732-G809 VanDerWaalsContact O-O 3.12Å; I788-G809 CarbonylContact O-C 3.54Å; I788-G809 VanDerWaalsContact O-CA 3.23Å; I788-G809 WeakPolarHBondContact O-CA 3.39Å
810	I	95.9	Very high	83.3	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	129.5	-179.6	179.6	171.1	0	0	0	109.5	E59 L60 I728 R730 R731 T787 I788 F812	E59-I810 HydrophobicContact CB-CD1 3.78Å; L60-I810 HydrophobicContact CB-CG2 4.26Å; L60-I810 HydrophobicContact CD1-CB 4.12Å; L60-I810 HydrophobicContact CD1-CG2 4.29Å; L60-I810 HydrophobicContact CD2-CG2 4.17Å; L60-I810 HydrophobicContact CG-CG2 4.48Å; I728-I810 HydrophobicContact CD1-CD1 3.93Å; I728-I810 HydrophobicContact CG1-CD1 4Å; I728-I810 HydrophobicContact CG2-CD1 3.8Å; I728-I810 HydrophobicContact CG2-CG1 3.83Å; R730-I810 WeakPolarHBondContact O-CA 3.46Å; R731-I810 HydrophobicContact CG-CD1 3.93Å; R731-I810 HydrophobicContact CG-CG1 4.04Å; T787-I810 WeakPolarHBondContact CA-O 3.39Å; I788-I810 HydrophobicContact CB-CG2 3.96Å; I788-I810 HydrophobicContact CG2-CG2 4.49Å; I788-I810 PolarHBondContact N-O 2.63Å; I788-I810 PolarHBondContact O-N 2.7Å; I810-F812 HydrophobicContact CD1-CE2 4.08Å; I810-F812 HydrophobicContact CD1-CZ 3.82Å; I810-F812 HydrophobicContact CG1-CD2 4.49Å; I810-F812 HydrophobicContact CG1-CE2 3.97Å; I810-F812 HydrophobicContact CG1-CZ 4.21Å; I810-F812 HydrophobicContact CG2-CE2 3.87Å; I810-F812 HydrophobicContact CG2-CZ 4.5Å
811	D	95.1	Very high	85.7	Confident	2 Å²	2	13.9 Å²	13.9	1%	0.011	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	130.9	177.9	-69.1	-29.1	0	0	0	110.8	I728 V729 R730 Y732 Y776 V785 T787	I728-D811 CarbonylContact C-O 3.2Å; V729-D811 HydrophobicContact CB-CB 4.11Å; V729-D811 PolarHBondContact N-O 2.72Å; R730-D811 VanDerWaalsContact CD-OD2 3.24Å; R730-D811 WeakPolarHBondContact CD-OD2 3.35Å; R730-D811 HydrophobicContact CG-CB 3.84Å; R730-D811 WeakPolarHBondContact CG-OD2 3.48Å; R730-D811 IonicContact NE-OD2 2.77Å; R730-D811 PolarHBondContact O-N 2.76Å; Y732-D811 WeakPolarHBondContact CE1-OD2 3.36Å; Y732-D811 PolarHBondContact OH-OD1 2.74Å; Y776-D811 PolarHBondContact OH-OD1 3.43Å; V785-D811 HydrophobicContact CB-CB 4.24Å; V785-D811 HydrophobicContact CG2-CB 4.47Å; T787-D811 WeakPolarHBondContact CB-OD1 3.41Å; T787-D811 PolarHBondContact OG1-OD1 3.42Å
812	F	93.6	Very high	87.6	Confident	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	159.3	167.4	-59.1	-99.5	0	0	0	110.1	L55 Y727 I728 V785 V786 I788 I810 Y816 F817	L55-F812 HydrophobicContact CB-CZ 4.41Å; L55-F812 HydrophobicContact CD1-CE2 4.38Å; L55-F812 HydrophobicContact CD1-CZ 4.02Å; L55-F812 HydrophobicContact CD2-CE1 4.33Å; L55-F812 HydrophobicContact CD2-CZ 4.01Å; L55-F812 HydrophobicContact CG-CZ 4.36Å; Y727-F812 WeakPolarHBondContact O-CA 3.17Å; I728-F812 HydrophobicContact CD1-CE1 3.93Å; I728-F812 HydrophobicContact CD1-CZ 4.46Å; I728-F812 HydrophobicContact CG1-CD1 3.64Å; I728-F812 HydrophobicContact CG1-CE1 3.36Å; I728-F812 HydrophobicContact CG1-CZ 4.09Å; V785-F812 VanDerWaalsContact CA-O 3.27Å; V785-F812 WeakPolarHBondContact CA-O 3.3Å; V785-F812 WeakPolarHBondContact CB-O 3.46Å; V786-F812 PolarHBondContact N-O 2.78Å; V786-F812 PolarHBondContact O-N 2.82Å; I788-F812 HydrophobicContact CD1-CE2 4.02Å; I788-F812 HydrophobicContact CG1-CE2 4.42Å; I810-F812 HydrophobicContact CD1-CE2 4.08Å; I810-F812 HydrophobicContact CD1-CZ 3.82Å; I810-F812 HydrophobicContact CG1-CD2 4.49Å; I810-F812 HydrophobicContact CG1-CE2 3.97Å; I810-F812 HydrophobicContact CG1-CZ 4.21Å; I810-F812 HydrophobicContact CG2-CE2 3.87Å; I810-F812 HydrophobicContact CG2-CZ 4.5Å; F812-Y816 HydrophobicContact CB-CD1 3.71Å; F812-Y816 HydrophobicContact CB-CG 4.23Å; F812-Y816 AromaticContact CD1-CD1 3.31Å; F812-Y816 HydrophobicContact CD1-CD1 3.31Å; F812-Y816 AromaticContact CD1-CE1 3.37Å; F812-Y816 HydrophobicContact CD1-CE1 3.37Å; F812-Y816 AromaticContact CD1-CG 3.97Å; F812-Y816 HydrophobicContact CD1-CG 3.97Å; F812-Y816 HydrophobicContact CD2-CD1 4.41Å; F812-Y816 AromaticContact CE1-CD1 3.97Å; F812-Y816 HydrophobicContact CE1-CD1 3.97Å; F812-Y816 AromaticContact CE1-CE1 3.51Å; F812-Y816 HydrophobicContact CE1-CE1 3.51Å; F812-Y816 AromaticContact CG-CD1 3.57Å; F812-Y816 HydrophobicContact CG-CD1 3.57Å; F812-Y816 AromaticContact CG-CE1 3.92Å; F812-Y816 HydrophobicContact CG-CE1 3.92Å; F812-Y816 HydrophobicContact CG-CG 4.39Å; F812-Y816 HydrophobicContact CZ-CE1 4.17Å; F812-F817 HydrophobicContact CB-CD2 4.42Å; F812-F817 HydrophobicContact CB-CE2 3.76Å; F812-F817 HydrophobicContact CB-CZ 4.43Å; F812-F817 AromaticContact CD2-CE2 3.77Å; F812-F817 HydrophobicContact CD2-CE2 3.77Å; F812-F817 AromaticContact CD2-CZ 3.65Å; F812-F817 HydrophobicContact CD2-CZ 3.65Å; F812-F817 HydrophobicContact CE2-CZ 4.15Å; F812-F817 HydrophobicContact CG-CE2 4Å; F812-F817 HydrophobicContact CG-CZ 4.18Å
813	T	90	Very high	89.1	Confident	11 Å²	11	16.2 Å²	16.2	7%	0.067	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	145.1	168.2	69.2	0	0	0	0	110.8	Y727 V729 R815 Y816 G1035 L1037	Y727-T813 PolarHBondContact O-N 3.04Å; Y727-T813 VanDerWaalsContact O-N 3.15Å; V729-T813 HydrophobicContact CG2-CG2 4.21Å; T813-R815 PolarHBondContact O-N 3.07Å; T813-R815 VanDerWaalsContact O-N 3.12Å; T813-Y816 WeakPolarHBondContact O-CB 3.42Å; T813-Y816 PolarHBondContact O-N 3.39Å; T813-G1035 WeakPolarHBondContact CG2-O 3.35Å; T813-G1035 PolarHBondContact OG1-O 2.78Å; T813-L1037 HydrophobicContact CG2-CD2 3.84Å
814	L	87.1	Confident	90	Very high	15 Å²	15	17.5 Å²	17.5	8%	0.079	9%	0.087	C	C	.	.	H	α-helix	trans	-45.1	-45.6	176.5	172.3	66	0	0	0	113.5	P775 Y784 V786 Y816 L853 V862	P775-L814 HydrophobicContact CB-CD1 3.9Å; P775-L814 HydrophobicContact CG-CD1 3.58Å; Y784-L814 WeakPolarHBondContact O-CB 3.31Å; Y784-L814 PolarHBondContact O-N 2.98Å; V786-L814 HydrophobicContact CG2-CD1 4.36Å; L814-Y816 VanDerWaalsContact C-N 3.31Å; L814-Y816 PolarHBondContact O-N 3.37Å; L814-L853 HydrophobicContact CD1-CB 4.38Å; L814-L853 HydrophobicContact CD1-CD1 4.35Å; L814-L853 HydrophobicContact CD2-CB 4.46Å; L814-L853 WeakPolarHBondContact CD2-O 3.28Å; L814-V862 HydrophobicContact CD1-CG1 4.01Å; L814-V862 HydrophobicContact CD2-CG1 3.61Å; L814-V862 HydrophobicContact CD2-CG2 4.47Å; L814-V862 HydrophobicContact CG-CG1 4.46Å
815	R	87.4	Confident	90.3	Very high	33 Å²	33	17.1 Å²	17.1	13%	0.125	8%	0.084	C	C	.	.	H	α-helix	trans	-72.1	-22.1	-174	-65.8	-168.5	-176.7	83.6	-3.9	113.6	T813 F817 Y818 K819 I854 F1034 E1040	T813-R815 PolarHBondContact O-N 3.07Å; T813-R815 VanDerWaalsContact O-N 3.12Å; R815-F817 VanDerWaalsContact C-N 3.33Å; R815-F817 PolarHBondContact O-N 3Å; R815-Y818 PolarHBondContact O-N 2.98Å; R815-K819 PolarHBondContact O-N 3.1Å; R815-I854 HydrophobicContact CB-CD1 4.31Å; R815-I854 HydrophobicContact CG-CD1 3.95Å; R815-I854 HydrophobicContact CG-CG1 4.05Å; R815-I854 HydrophobicContact CG-CG2 4.03Å; R815-F1034 HydrophobicContact CB-CD1 3.91Å; R815-F1034 HydrophobicContact CB-CE1 3.7Å; R815-F1034 HydrophobicContact CB-CZ 4.25Å; R815-F1034 HydrophobicContact CG-CE1 4.29Å; R815-F1034 HydrophobicContact CG-CZ 4.35Å; R815-F1034 WeakPolarHBondContact O-CE1 3.13Å; R815-E1040 IonicContact CZ-OE1 3.32Å; R815-E1040 IonicContact CZ-OE2 3.8Å; R815-E1040 VanDerWaalsContact CZ-OE2 3.25Å; R815-E1040 IonicContact NH1-OE1 3.4Å; R815-E1040 PolarHBondContact NH1-OE1 3.2Å; R815-E1040 IonicContact NH1-OE2 3.57Å; R815-E1040 PolarHBondContact NH1-OE2 2.96Å; R815-E1040 IonicContact NH2-OE1 2.67Å; R815-E1040 IonicContact NH2-OE2 2.68Å; R815-E1040 PolarHBondContact NH2-OE2 3.35Å
816	Y	90.4	Very high	90.1	Very high	8 Å²	8	20.1 Å²	20.1	3%	0.031	10%	0.104	C	C	.	.	H	α-helix	trans	-57.9	-44	179.1	173.2	-108.5	0	0	0	112.1	Q51 L55 L724 Y727 F812 T813 L814 Y818 K819 V820	Q51-Y816 PolarHBondContact NE2-OH 3.03Å; L55-Y816 HydrophobicContact CD1-CE1 4.05Å; L55-Y816 WeakPolarHBondContact CD2-OH 3.48Å; L724-Y816 HydrophobicContact CD2-CE2 4.02Å; Y727-Y816 AromaticContact CD1-CD2 3.61Å; Y727-Y816 HydrophobicContact CD1-CD2 3.61Å; Y727-Y816 HydrophobicContact CD1-CE2 4.48Å; Y727-Y816 HydrophobicContact CD1-CG 4.32Å; Y727-Y816 HydrophobicContact CD2-CD2 4.19Å; Y727-Y816 HydrophobicContact CD2-CE2 4.34Å; Y727-Y816 HydrophobicContact CE1-CD2 4.29Å; Y727-Y816 AromaticContact CG-CD2 3.56Å; Y727-Y816 HydrophobicContact CG-CD2 3.56Å; Y727-Y816 HydrophobicContact CG-CE2 4.13Å; Y727-Y816 HydrophobicContact CG-CG 4.32Å; F812-Y816 HydrophobicContact CB-CD1 3.71Å; F812-Y816 HydrophobicContact CB-CG 4.23Å; F812-Y816 AromaticContact CD1-CD1 3.31Å; F812-Y816 HydrophobicContact CD1-CD1 3.31Å; F812-Y816 AromaticContact CD1-CE1 3.37Å; F812-Y816 HydrophobicContact CD1-CE1 3.37Å; F812-Y816 AromaticContact CD1-CG 3.97Å; F812-Y816 HydrophobicContact CD1-CG 3.97Å; F812-Y816 HydrophobicContact CD2-CD1 4.41Å; F812-Y816 AromaticContact CE1-CD1 3.97Å; F812-Y816 HydrophobicContact CE1-CD1 3.97Å; F812-Y816 AromaticContact CE1-CE1 3.51Å; F812-Y816 HydrophobicContact CE1-CE1 3.51Å; F812-Y816 AromaticContact CG-CD1 3.57Å; F812-Y816 HydrophobicContact CG-CD1 3.57Å; F812-Y816 AromaticContact CG-CE1 3.92Å; F812-Y816 HydrophobicContact CG-CE1 3.92Å; F812-Y816 HydrophobicContact CG-CG 4.39Å; F812-Y816 HydrophobicContact CZ-CE1 4.17Å; T813-Y816 WeakPolarHBondContact O-CB 3.42Å; T813-Y816 PolarHBondContact O-N 3.39Å; L814-Y816 VanDerWaalsContact C-N 3.31Å; L814-Y816 PolarHBondContact O-N 3.37Å; Y816-Y818 VanDerWaalsContact C-N 3.32Å; Y816-Y818 PolarHBondContact O-N 2.8Å; Y816-K819 WeakPolarHBondContact O-CB 3.27Å; Y816-K819 PolarHBondContact O-N 3.42Å; Y816-V820 HydrophobicContact CD1-CG2 4.27Å; Y816-V820 HydrophobicContact CD2-CG2 4.17Å; Y816-V820 HydrophobicContact CE1-CG2 3.8Å; Y816-V820 HydrophobicContact CE2-CG2 3.67Å; Y816-V820 HydrophobicContact CG-CG2 4.45Å; Y816-V820 VanDerWaalsContact CZ-CG2 3.47Å; Y816-V820 WeakPolarHBondContact O-CG2 3.45Å; Y816-V820 PolarHBondContact O-N 2.88Å
817	F	89.4	Confident	89.7	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-68.7	-29.7	-179.4	-74.7	-74.5	0	0	0	113.7	M52 L55 V786 I788 F812 R815 L821 V848 A849	M52-F817 HydrophobicContact CE-CD1 4.01Å; M52-F817 HydrophobicContact CE-CE1 3.98Å; M52-F817 HydrophobicContact SD-CE1 4.03Å; L55-F817 HydrophobicContact CD1-CE1 4.49Å; V786-F817 HydrophobicContact CB-CD2 3.61Å; V786-F817 HydrophobicContact CB-CE2 3.61Å; V786-F817 HydrophobicContact CG1-CD2 3.45Å; V786-F817 VanDerWaalsContact CG1-CD2 3.45Å; V786-F817 HydrophobicContact CG1-CE2 3.29Å; V786-F817 HydrophobicContact CG1-CG 4.32Å; V786-F817 HydrophobicContact CG1-CZ 4.08Å; V786-F817 HydrophobicContact CG2-CD2 4.21Å; I788-F817 HydrophobicContact CD1-CE1 3.96Å; I788-F817 HydrophobicContact CD1-CZ 3.75Å; I788-F817 HydrophobicContact CG1-CE1 4.36Å; I788-F817 HydrophobicContact CG1-CZ 3.85Å; F812-F817 HydrophobicContact CB-CD2 4.42Å; F812-F817 HydrophobicContact CB-CE2 3.76Å; F812-F817 HydrophobicContact CB-CZ 4.43Å; F812-F817 AromaticContact CD2-CE2 3.77Å; F812-F817 HydrophobicContact CD2-CE2 3.77Å; F812-F817 AromaticContact CD2-CZ 3.65Å; F812-F817 HydrophobicContact CD2-CZ 3.65Å; F812-F817 HydrophobicContact CE2-CZ 4.15Å; F812-F817 HydrophobicContact CG-CE2 4Å; F812-F817 HydrophobicContact CG-CZ 4.18Å; R815-F817 VanDerWaalsContact C-N 3.33Å; R815-F817 PolarHBondContact O-N 3Å; F817-L821 WeakPolarHBondContact O-CB 3.08Å; F817-L821 PolarHBondContact O-N 2.66Å; F817-V848 HydrophobicContact CB-CG1 4.43Å; F817-V848 HydrophobicContact CG-CG1 4.35Å; F817-A849 HydrophobicContact CB-CB 4.12Å
818	Y	88.1	Confident	89.1	Confident	37 Å²	37	21.5 Å²	21.5	15%	0.145	11%	0.113	C	C	.	.	H	α-helix	trans	-73.6	-37.6	171.3	-172.1	-93.9	0	0	0	112	R815 Y816 L821 M822 P851 I854 F1034	R815-Y818 PolarHBondContact O-N 2.98Å; Y816-Y818 VanDerWaalsContact C-N 3.32Å; Y816-Y818 PolarHBondContact O-N 2.8Å; Y818-L821 WeakPolarHBondContact O-CB 3.18Å; Y818-L821 PolarHBondContact O-N 2.8Å; Y818-M822 HydrophobicContact CD1-CG 3.93Å; Y818-M822 HydrophobicContact CD2-CE 4.35Å; Y818-M822 HydrophobicContact CE1-CE 4.2Å; Y818-M822 HydrophobicContact CE1-CG 3.62Å; Y818-M822 HydrophobicContact CE1-SD 4.14Å; Y818-M822 HydrophobicContact CE2-CE 3.71Å; Y818-M822 WeakPolarHBondContact O-CG 3.42Å; Y818-M822 PolarHBondContact O-N 3.29Å; Y818-P851 HydrophobicContact CE2-CB 4.27Å; Y818-P851 HydrophobicContact CE2-CG 3.88Å; Y818-I854 HydrophobicContact CD1-CD1 3.81Å; Y818-I854 HydrophobicContact CD2-CD1 4.14Å; Y818-I854 HydrophobicContact CG-CD1 3.49Å; Y818-I854 VanDerWaalsContact CG-CD1 3.49Å; Y818-F1034 AromaticContact CD1-CE1 3.79Å; Y818-F1034 HydrophobicContact CD1-CE1 3.79Å; Y818-F1034 AromaticContact CD1-CZ 3.6Å; Y818-F1034 HydrophobicContact CD1-CZ 3.6Å; Y818-F1034 HydrophobicContact CE1-CZ 4.19Å
819	K	88.5	Confident	88.2	Confident	37 Å²	37	26.7 Å²	26.7	16%	0.161	14%	0.14	C	C	.	.	H	α-helix	trans	-59.2	-48.2	170.4	179.7	162	175.2	49.6	0	111.2	Y727 R815 Y816 L821 M822 D823 F1034	Y727-K819 HydrophobicContact CE1-CD 4.28Å; R815-K819 PolarHBondContact O-N 3.1Å; Y816-K819 WeakPolarHBondContact O-CB 3.27Å; Y816-K819 PolarHBondContact O-N 3.42Å; K819-L821 VanDerWaalsContact C-N 3.27Å; K819-L821 PolarHBondContact O-N 2.86Å; K819-M822 PolarHBondContact O-N 3.15Å; K819-D823 WeakPolarHBondContact CE-OD2 3.48Å; K819-D823 VanDerWaalsContact CG-OD2 3.23Å; K819-D823 WeakPolarHBondContact CG-OD2 3.31Å; K819-D823 IonicContact NZ-OD1 2.71Å; K819-D823 PolarHBondContact NZ-OD1 3.13Å; K819-D823 IonicContact NZ-OD2 2.68Å; K819-D823 PolarHBondContact NZ-OD2 2.98Å; K819-D823 VanDerWaalsContact O-CB 3.26Å; K819-D823 WeakPolarHBondContact O-CB 3.37Å; K819-D823 VanDerWaalsContact O-CG 3.23Å; K819-D823 PolarHBondContact O-N 2.69Å; K819-F1034 HydrophobicContact CB-CD1 4Å; K819-F1034 HydrophobicContact CB-CE1 4.31Å
820	V	89.8	Confident	86.6	Confident	9 Å²	9	32.9 Å²	32.9	6%	0.055	17%	0.169	C	C	.	.	H	α-helix	trans	-57.2	-39.1	174.7	169.6	0	0	0	0	111.9	L48 Q51 Y816 L824	L48-V820 HydrophobicContact CD2-CG1 4.43Å; Q51-V820 HydrophobicContact CG-CG1 3.94Å; Y816-V820 HydrophobicContact CD1-CG2 4.27Å; Y816-V820 HydrophobicContact CD2-CG2 4.17Å; Y816-V820 HydrophobicContact CE1-CG2 3.8Å; Y816-V820 HydrophobicContact CE2-CG2 3.67Å; Y816-V820 HydrophobicContact CG-CG2 4.45Å; Y816-V820 VanDerWaalsContact CZ-CG2 3.47Å; Y816-V820 WeakPolarHBondContact O-CG2 3.45Å; Y816-V820 PolarHBondContact O-N 2.88Å; V820-L824 HydrophobicContact CG1-CD1 3.72Å; V820-L824 HydrophobicContact CG1-CG 4.46Å; V820-L824 VanDerWaalsContact O-CB 3.24Å; V820-L824 WeakPolarHBondContact O-CB 3.28Å; V820-L824 VanDerWaalsContact O-CG 3.27Å; V820-L824 WeakPolarHBondContact O-CG 3.25Å; V820-L824 PolarHBondContact O-N 3.3Å; V820-L824 VanDerWaalsContact O-N 3.17Å
821	L	89.4	Confident	84.7	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66.7	-44.5	176.7	-175.2	63.8	0	0	0	112.4	L48 F817 Y818 K819 L825 C838 I840 A849 V936	L48-L821 HydrophobicContact CD1-CD1 4.37Å; F817-L821 WeakPolarHBondContact O-CB 3.08Å; F817-L821 PolarHBondContact O-N 2.66Å; Y818-L821 WeakPolarHBondContact O-CB 3.18Å; Y818-L821 PolarHBondContact O-N 2.8Å; K819-L821 VanDerWaalsContact C-N 3.27Å; K819-L821 PolarHBondContact O-N 2.86Å; L821-L825 HydrophobicContact CD1-CD1 4.36Å; L821-L825 HydrophobicContact CD1-CD2 3.99Å; L821-L825 WeakPolarHBondContact O-CB 3.22Å; L821-L825 PolarHBondContact O-N 2.93Å; L821-L825 VanDerWaalsContact O-N 3.13Å; L821-C838 HydrophobicContact CD1-CB 4.48Å; L821-C838 HydrophobicContact CD2-CB 3.88Å; L821-C838 HydrophobicContact CG-CB 4.2Å; L821-I840 HydrophobicContact CD1-CD1 4.24Å; L821-I840 HydrophobicContact CD1-CG1 4.1Å; L821-I840 HydrophobicContact CD2-CG1 4.37Å; L821-A849 HydrophobicContact CD2-CB 4.29Å; L821-V936 HydrophobicContact CD1-CG2 4.29Å
822	M	86.8	Confident	82.8	Confident	30 Å²	30	39.5 Å²	39.5	15%	0.148	22%	0.218	C	C	.	.	H	α-helix	trans	-73.2	-37.8	179.8	-63.5	-66.1	119.6	0	0	113.2	Y818 K819 C828 C838	Y818-M822 HydrophobicContact CD1-CG 3.93Å; Y818-M822 HydrophobicContact CD2-CE 4.35Å; Y818-M822 HydrophobicContact CE1-CE 4.2Å; Y818-M822 HydrophobicContact CE1-CG 3.62Å; Y818-M822 HydrophobicContact CE1-SD 4.14Å; Y818-M822 HydrophobicContact CE2-CE 3.71Å; Y818-M822 WeakPolarHBondContact O-CG 3.42Å; Y818-M822 PolarHBondContact O-N 3.29Å; K819-M822 PolarHBondContact O-N 3.15Å; M822-C828 HydrophobicContact CE-CB 3.6Å; M822-C828 HydrophobicContact SD-CB 3.85Å; M822-C838 HydrophobicContact CE-CB 4.21Å
823	D	87.3	Confident	80.9	Confident	105 Å²	105	40.7 Å²	40.7	56%	0.561	23%	0.231	S	C	*	.	H	α-helix	trans	-73.5	-27.4	-179.3	-70.6	-6.1	0	0	0	112	K819	K819-D823 WeakPolarHBondContact CE-OD2 3.48Å; K819-D823 VanDerWaalsContact CG-OD2 3.23Å; K819-D823 WeakPolarHBondContact CG-OD2 3.31Å; K819-D823 IonicContact NZ-OD1 2.71Å; K819-D823 PolarHBondContact NZ-OD1 3.13Å; K819-D823 IonicContact NZ-OD2 2.68Å; K819-D823 PolarHBondContact NZ-OD2 2.98Å; K819-D823 VanDerWaalsContact O-CB 3.26Å; K819-D823 WeakPolarHBondContact O-CB 3.37Å; K819-D823 VanDerWaalsContact O-CG 3.23Å; K819-D823 PolarHBondContact O-N 2.69Å
824	L	88.4	Confident	79.3	Confident	57 Å²	57	47.2 Å²	47.2	30%	0.298	27%	0.265	S	S	.	.	H	α-helix	trans	-98	-28.5	-178.3	-66.3	179.5	0	0	0	115	V47 L48 Q51 V820 P826	V47-L824 HydrophobicContact CG1-CB 4.34Å; V47-L824 HydrophobicContact CG1-CD1 4.41Å; V47-L824 HydrophobicContact CG1-CD2 4.35Å; L48-L824 HydrophobicContact CD2-CD1 4.11Å; Q51-L824 HydrophobicContact CB-CD1 3.85Å; Q51-L824 HydrophobicContact CG-CD1 3.96Å; V820-L824 HydrophobicContact CG1-CD1 3.72Å; V820-L824 HydrophobicContact CG1-CG 4.46Å; V820-L824 VanDerWaalsContact O-CB 3.24Å; V820-L824 WeakPolarHBondContact O-CB 3.28Å; V820-L824 VanDerWaalsContact O-CG 3.27Å; V820-L824 WeakPolarHBondContact O-CG 3.25Å; V820-L824 PolarHBondContact O-N 3.3Å; V820-L824 VanDerWaalsContact O-N 3.17Å; L824-P826 WeakPolarHBondContact O-CD 3.46Å
825	L	87.6	Confident	78.5	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.284	C	S	.	.			trans	-112.5	93.9	-179.3	-79.2	66.7	0	0	0	110.2	E44 L48 L821 V827 C828 V936 I938	E44-L825 HydrophobicContact CB-CD1 4.43Å; E44-L825 HydrophobicContact CB-CD2 4.11Å; E44-L825 HydrophobicContact CB-CG 4.02Å; E44-L825 HydrophobicContact CG-CG 4.22Å; L48-L825 HydrophobicContact CD1-CD1 3.96Å; L48-L825 HydrophobicContact CD2-CD1 4.05Å; L48-L825 HydrophobicContact CG-CD1 3.86Å; L821-L825 HydrophobicContact CD1-CD1 4.36Å; L821-L825 HydrophobicContact CD1-CD2 3.99Å; L821-L825 WeakPolarHBondContact O-CB 3.22Å; L821-L825 PolarHBondContact O-N 2.93Å; L821-L825 VanDerWaalsContact O-N 3.13Å; L825-V827 PolarHBondContact O-N 3.28Å; L825-V827 VanDerWaalsContact O-N 3.1Å; L825-C828 VanDerWaalsContact CB-SG 3.54Å; L825-C828 WeakPolarHBondContact O-CB 3.36Å; L825-C828 PolarHBondContact O-N 2.9Å; L825-V936 HydrophobicContact CD2-CG2 4.15Å; L825-I938 HydrophobicContact CD2-CD1 4.15Å
826	P	81.9	Confident	78.2	Confident	78 Å²	78	51.3 Å²	51.3	51%	0.506	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-57.9	-30.9	-174.6	-26.3	35.3	0	0	0	114.2	L824 C828 N829 Q830	L824-P826 WeakPolarHBondContact O-CD 3.46Å; P826-C828 PolarHBondContact O-N 2.86Å; P826-N829 PolarHBondContact O-N 2.9Å; P826-Q830 WeakPolarHBondContact O-CG 3.36Å; P826-Q830 PolarHBondContact O-N 2.91Å
827	V	81.5	Confident	78	Confident	26 Å²	26	53.4 Å²	53.4	16%	0.158	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-58.5	-29.5	178.4	178.1	0	0	0	0	112.3	F39 L825 N829 I836	F39-V827 HydrophobicContact CD2-CG2 3.78Å; F39-V827 HydrophobicContact CE2-CB 4.27Å; F39-V827 HydrophobicContact CE2-CG2 3.63Å; F39-V827 HydrophobicContact CZ-CG2 4.33Å; L825-V827 PolarHBondContact O-N 3.28Å; L825-V827 VanDerWaalsContact O-N 3.1Å; V827-N829 PolarHBondContact O-N 3.35Å; V827-I836 HydrophobicContact CG1-CD1 3.93Å; V827-I836 HydrophobicContact CG1-CG2 4.31Å
828	C	81.8	Confident	78.1	Confident	4 Å²	4	53.5 Å²	53.5	3%	0.027	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-71.6	-15.5	177.2	-55	0	0	0	0	113.7	M822 L825 P826 C838	M822-C828 HydrophobicContact CE-CB 3.6Å; M822-C828 HydrophobicContact SD-CB 3.85Å; L825-C828 VanDerWaalsContact CB-SG 3.54Å; L825-C828 WeakPolarHBondContact O-CB 3.36Å; L825-C828 PolarHBondContact O-N 2.9Å; P826-C828 PolarHBondContact O-N 2.86Å; C828-C838 VanDerWaalsContact CA-SG 3.53Å; C828-C838 HydrophobicContact CB-CB 3.78Å; C828-C838 WeakPolarHBondContact CB-SG 3.4Å; C828-C838 WeakPolarHBondContact SG-CB 3.46Å; C828-C838 CovalentContact SG-SG 2.03Å; C828-C838 PolarHBondContact SG-SG 2.81Å
829	N	75.1	Confident	78.3	Confident	108 Å²	108	51.8 Å²	51.8	58%	0.578	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-10.7	-174.5	-159.8	10.7	0	0	0	113.2	P826 V827 D831 G832	P826-N829 PolarHBondContact O-N 2.9Å; V827-N829 PolarHBondContact O-N 3.35Å; N829-D831 PolarHBondContact O-N 2.84Å; N829-G832 PolarHBondContact O-N 2.58Å
830	Q	64.5	Low	78.6	Confident	130 Å²	130	50 Å²	50	61%	0.607	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-32.2	-167.7	-80.8	168.6	1.8	0	0	115.6	P826	P826-Q830 WeakPolarHBondContact O-CG 3.36Å; P826-Q830 PolarHBondContact O-N 2.91Å
831	D	54.8	Low	78.7	Confident	83 Å²	83	49.6 Å²	49.6	44%	0.444	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	20.4	-176.8	-109.6	1.6	0	0	0	112.3	N829 G833 N834 K835	N829-D831 PolarHBondContact O-N 2.84Å; D831-G833 PolarHBondContact O-N 3.34Å; D831-N834 PolarHBondContact O-N 3.43Å; D831-K835 WeakPolarHBondContact OD2-CD 3.48Å; D831-K835 IonicContact OD2-NZ 3.82Å; D831-K835 PolarHBondContact OD2-NZ 2.98Å; D831-K835 VanDerWaalsContact OD2-NZ 3.08Å
832	G	55	Low	78.8	Confident	58 Å²	58	49.8 Å²	49.8	60%	0.598	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	25.6	-176.3	0	0	0	0	0	114.2	N829 N834	N829-G832 PolarHBondContact O-N 2.58Å; G832-N834 VanDerWaalsContact C-N 3.29Å; G832-N834 PolarHBondContact O-N 3.1Å
833	G	54.2	Low	78.8	Confident	25 Å²	25	48.7 Å²	48.7	26%	0.258	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	-4.8	178.7	0	0	0	0	0	116.4	D831 K835	D831-G833 PolarHBondContact O-N 3.34Å; G833-K835 VanDerWaalsContact C-N 3.34Å; G833-K835 PolarHBondContact O-N 3.18Å
834	N	57	Low	78.8	Confident	148 Å²	148	46.1 Å²	46.1	79%	0.791	25%	0.254	S	S	*	.	S	Bend	trans	-80.7	-3.3	-170.9	-77.8	-28.5	0	0	0	115.8	D831 G832	D831-N834 PolarHBondContact O-N 3.43Å; G832-N834 VanDerWaalsContact C-N 3.29Å; G832-N834 PolarHBondContact O-N 3.1Å
835	K	70.1	Confident	78.9	Confident	109 Å²	109	43.4 Å²	43.4	47%	0.474	24%	0.24	S	C	.	.	S	Bend	trans	-138.2	-38.4	176.7	-65	-172.4	-158.5	141.3	0	113.5	D831 G833 E941	D831-K835 WeakPolarHBondContact OD2-CD 3.48Å; D831-K835 IonicContact OD2-NZ 3.82Å; D831-K835 PolarHBondContact OD2-NZ 2.98Å; D831-K835 VanDerWaalsContact OD2-NZ 3.08Å; G833-K835 VanDerWaalsContact C-N 3.34Å; G833-K835 PolarHBondContact O-N 3.18Å; K835-E941 PolarHBondContact O-N 3.2Å
836	I	81.3	Confident	78.9	Confident	25 Å²	25	46.2 Å²	46.2	13%	0.128	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	114.9	173.9	-57.1	-180	0	0	0	108.2	V827 I938 V939 N940	V827-I836 HydrophobicContact CG1-CD1 3.93Å; V827-I836 HydrophobicContact CG1-CG2 4.31Å; I836-I938 HydrophobicContact CG2-CG2 3.75Å; I836-V939 CarbonylContact C-O 3.6Å; I836-V939 VanDerWaalsContact CA-O 3.29Å; I836-V939 WeakPolarHBondContact CA-O 3.45Å; I836-N940 HydrophobicContact CG1-CB 4.4Å
837	R	86.6	Confident	79.4	Confident	52 Å²	52	42.6 Å²	42.6	20%	0.196	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.1	178.2	-64.4	-172.4	-87.1	132.5	-9.3	108.7	E871 V939 E941	R837-E871 IonicContact CZ-OE1 2.68Å; R837-E871 IonicContact CZ-OE2 2.63Å; R837-E871 IonicContact NH1-OE1 2.83Å; R837-E871 PolarHBondContact NH1-OE1 3.32Å; R837-E871 IonicContact NH1-OE2 2.72Å; R837-E871 PolarHBondContact NH1-OE2 2.78Å; R837-E871 IonicContact NH2-OE2 3.68Å; R837-V939 HydrophobicContact CB-CB 4.45Å; R837-V939 PolarHBondContact N-O 3.19Å; R837-V939 PolarHBondContact O-N 2.91Å; R837-E941 IonicContact CZ-OE2 3.5Å; R837-E941 IonicContact NE-OE2 2.68Å; R837-E941 IonicContact NH2-OE1 2.62Å; R837-E941 PolarHBondContact NH2-OE1 2.81Å; R837-E941 IonicContact NH2-OE2 3.63Å; R837-E941 PolarHBondContact NH2-OE2 2.03Å
838	C	90.3	Very high	79.9	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.014	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	144.7	179.1	-63.9	0	0	0	0	111.1	L821 M822 C828 G937	L821-C838 HydrophobicContact CD1-CB 4.48Å; L821-C838 HydrophobicContact CD2-CB 3.88Å; L821-C838 HydrophobicContact CG-CB 4.2Å; M822-C838 HydrophobicContact CE-CB 4.21Å; C828-C838 VanDerWaalsContact CA-SG 3.53Å; C828-C838 HydrophobicContact CB-CB 3.78Å; C828-C838 WeakPolarHBondContact CB-SG 3.4Å; C828-C838 WeakPolarHBondContact SG-CB 3.46Å; C828-C838 CovalentContact SG-SG 2.03Å; C828-C838 PolarHBondContact SG-SG 2.81Å; C838-G937 CarbonylContact C-O 3.56Å; C838-G937 WeakPolarHBondContact CA-O 3.39Å
839	F	92.7	Very high	80.3	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.009	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	162	178.5	68.2	-99	0	0	0	114.6	M841 L847 A849 H850 I867 E871 L926 V936 G937 V939	F839-M841 HydrophobicContact CD2-CB 4.43Å; F839-M841 HydrophobicContact CE2-CB 4.48Å; F839-M841 HydrophobicContact CE2-CG 4.19Å; F839-M841 HydrophobicContact CE2-SD 4Å; F839-L847 HydrophobicContact CB-CD2 4.13Å; F839-L847 HydrophobicContact CD2-CD2 3.8Å; F839-L847 HydrophobicContact CE2-CD2 4.46Å; F839-L847 HydrophobicContact CG-CD2 4.09Å; F839-A849 CarbonylContact C-O 3.33Å; F839-A849 WeakPolarHBondContact CA-O 3.31Å; F839-A849 VanDerWaalsContact CB-O 3.26Å; F839-A849 WeakPolarHBondContact CB-O 3.34Å; F839-H850 HydrophobicContact CB-CB 4.31Å; F839-I867 HydrophobicContact CE2-CD1 3.91Å; F839-I867 HydrophobicContact CZ-CD1 3.64Å; F839-E871 HydrophobicContact CD1-CG 4.5Å; F839-E871 HydrophobicContact CE1-CG 4.32Å; F839-L926 HydrophobicContact CE2-CD1 3.99Å; F839-L926 HydrophobicContact CZ-CD1 4.04Å; F839-V936 WeakPolarHBondContact O-CA 3.16Å; F839-G937 PolarHBondContact N-O 3.05Å; F839-G937 PolarHBondContact O-N 2.9Å; F839-V939 HydrophobicContact CD1-CG2 4.29Å; F839-V939 HydrophobicContact CE1-CG2 3.78Å
840	I	93.7	Very high	81	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136.1	167.3	-58.5	174.4	0	0	0	108	M52 L772 L821 V848 A849 I929 A934 F935	M52-I840 HydrophobicContact CE-CD1 4.43Å; L772-I840 HydrophobicContact CD2-CG2 4.43Å; L821-I840 HydrophobicContact CD1-CD1 4.24Å; L821-I840 HydrophobicContact CD1-CG1 4.1Å; L821-I840 HydrophobicContact CD2-CG1 4.37Å; I840-V848 HydrophobicContact CB-CB 4.32Å; I840-V848 HydrophobicContact CG2-CB 4.11Å; I840-V848 PolarHBondContact O-N 2.91Å; I840-A849 HydrophobicContact CB-CB 4.24Å; I840-A849 HydrophobicContact CD1-CB 4.4Å; I840-A849 HydrophobicContact CG1-CB 4.38Å; I840-A849 PolarHBondContact N-O 3.35Å; I840-A849 PolarHBondContact O-N 3.07Å; I840-I929 HydrophobicContact CG2-CD1 4.07Å; I840-A934 HydrophobicContact CG2-CB 4.24Å; I840-F935 VanDerWaalsContact CA-O 3.32Å; I840-F935 WeakPolarHBondContact CA-O 3.33Å
841	M	93.3	Very high	82	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	152.5	174.7	71.4	178.7	-169.4	0	0	112.6	F839 Y846 L847 I867 F904 L926 A934 F935	F839-M841 HydrophobicContact CD2-CB 4.43Å; F839-M841 HydrophobicContact CE2-CB 4.48Å; F839-M841 HydrophobicContact CE2-CG 4.19Å; F839-M841 HydrophobicContact CE2-SD 4Å; M841-Y846 VanDerWaalsContact CA-O 3.26Å; M841-Y846 WeakPolarHBondContact CA-O 3.49Å; M841-Y846 WeakPolarHBondContact CB-O 3.34Å; M841-L847 HydrophobicContact CB-CD2 4.31Å; M841-I867 HydrophobicContact SD-CB 4.41Å; M841-I867 HydrophobicContact SD-CD1 3.77Å; M841-I867 HydrophobicContact SD-CG2 4.39Å; M841-F904 HydrophobicContact CE-CD1 3.55Å; M841-F904 HydrophobicContact CE-CE1 3.62Å; M841-F904 HydrophobicContact CE-CG 4.18Å; M841-F904 HydrophobicContact CE-CZ 4.31Å; M841-F904 HydrophobicContact SD-CE1 4.38Å; M841-L926 HydrophobicContact CE-CD1 4.11Å; M841-L926 HydrophobicContact CE-CD2 3.91Å; M841-A934 CarbonylContact O-C 3.53Å; M841-A934 VanDerWaalsContact O-CA 3.26Å; M841-A934 WeakPolarHBondContact O-CA 3.3Å; M841-A934 WeakPolarHBondContact O-CB 3.5Å; M841-F935 HydrophobicContact CE-CB 4Å; M841-F935 HydrophobicContact CE-CD2 4.01Å; M841-F935 HydrophobicContact CE-CG 4.06Å; M841-F935 HydrophobicContact CG-CB 4.06Å; M841-F935 HydrophobicContact CG-CD2 4.46Å; M841-F935 PolarHBondContact N-O 3.25Å; M841-F935 PolarHBondContact O-N 3.03Å
842	E	90.6	Very high	83.3	Confident	4 Å²	4	29.7 Å²	29.7	2%	0.019	16%	0.164	C	C	.	.			trans	-83	175.5	172.3	61.1	159.7	-128.3	0	0	113	H762 T773 G774 R844 G845 Y846 V848	H762-E842 IonicContact CE1-OE1 3.9Å; H762-E842 IonicContact CE1-OE2 2.75Å; H762-E842 PolarHBondContact CE1-OE2 3.01Å; H762-E842 IonicContact ND1-OE2 3.63Å; T773-E842 WeakPolarHBondContact CA-OE2 3.19Å; G774-E842 PolarHBondContact N-OE2 3.25Å; E842-R844 PolarHBondContact O-N 2.98Å; E842-R844 WeakPolarHBondContact OE1-CB 3.49Å; E842-G845 PolarHBondContact O-N 3.42Å; E842-Y846 PolarHBondContact N-O 3.21Å; E842-Y846 VanDerWaalsContact N-O 3.08Å; E842-V848 HydrophobicContact CB-CG2 4.5Å
843	D	87.5	Confident	84.5	Confident	6 Å²	6	27.4 Å²	27.4	3%	0.032	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-2.9	-176	66.4	-70	0	0	0	115.7	K903 F904 T906 N933	D843-K903 WeakPolarHBondContact O-CA 3.49Å; D843-F904 PolarHBondContact O-N 2.91Å; D843-T906 HydrophobicContact CB-CG2 3.64Å; D843-N933 HydrophobicContact CB-CB 4.39Å; D843-N933 PolarHBondContact N-O 3.44Å; D843-N933 PolarHBondContact OD1-ND2 3.09Å
844	R	87.6	Confident	85.7	Confident	51 Å²	51	27.3 Å²	27.3	19%	0.192	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-2.1	168.3	-55.9	-176.3	-171.5	-128.2	-8.2	114.2	E842 Y846 H866 E997	E842-R844 PolarHBondContact O-N 2.98Å; E842-R844 WeakPolarHBondContact OE1-CB 3.49Å; R844-Y846 HydrophobicContact CB-CD2 3.96Å; R844-Y846 HydrophobicContact CB-CE2 4.21Å; R844-H866 PolarHBondContact O-CD2 2.81Å; R844-H866 PolarHBondContact O-NE2 3.44Å; R844-E997 IonicContact CZ-OE2 3.63Å; R844-E997 IonicContact NH1-OE2 2.75Å; R844-E997 PolarHBondContact NH1-OE2 3.2Å; R844-E997 IonicContact NH2-OE1 3.74Å; R844-E997 IonicContact NH2-OE2 3.02Å; R844-E997 PolarHBondContact NH2-OE2 2.84Å
845	G	89.3	Confident	86.6	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.112	C	C	.	.			trans	85.4	6.7	179.5	0	0	0	0	0	115.9	E842 H866 I867 F904	E842-G845 PolarHBondContact O-N 3.42Å; G845-H866 PolarHBondContact O-CD2 3.02Å; G845-I867 PolarHBondContact O-N 2.98Å; G845-F904 VanDerWaalsContact CA-CE2 3.42Å
846	Y	89.4	Confident	86.5	Confident	60 Å²	60	19.4 Å²	19.4	24%	0.235	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-73	138.2	169.4	-67.9	-75.4	0	0	0	110.7	M841 E842 R844 H866	M841-Y846 VanDerWaalsContact CA-O 3.26Å; M841-Y846 WeakPolarHBondContact CA-O 3.49Å; M841-Y846 WeakPolarHBondContact CB-O 3.34Å; E842-Y846 PolarHBondContact N-O 3.21Å; E842-Y846 VanDerWaalsContact N-O 3.08Å; R844-Y846 HydrophobicContact CB-CD2 3.96Å; R844-Y846 HydrophobicContact CB-CE2 4.21Å; Y846-H866 HydrophobicContact CD1-CB 4.1Å; Y846-H866 HydrophobicContact CE1-CB 4.11Å
847	L	91.5	Very high	85.7	Confident	1 Å²	1	23 Å²	23	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	124.3	-175.4	-64.8	165.2	0	0	0	110.7	P775 F839 M841 H850 L853 Q865 K870	P775-L847 WeakPolarHBondContact CD-O 3.33Å; P775-L847 WeakPolarHBondContact CG-O 3.47Å; F839-L847 HydrophobicContact CB-CD2 4.13Å; F839-L847 HydrophobicContact CD2-CD2 3.8Å; F839-L847 HydrophobicContact CE2-CD2 4.46Å; F839-L847 HydrophobicContact CG-CD2 4.09Å; M841-L847 HydrophobicContact CB-CD2 4.31Å; L847-H850 HydrophobicContact CB-CB 4.18Å; L847-H850 HydrophobicContact CD1-CB 4.05Å; L847-H850 HydrophobicContact CD2-CB 4.39Å; L847-H850 HydrophobicContact CG-CB 4.44Å; L847-L853 HydrophobicContact CB-CD1 4.03Å; L847-Q865 WeakPolarHBondContact CB-O 3.18Å; L847-Q865 HydrophobicContact CD1-CB 4.43Å; L847-Q865 WeakPolarHBondContact CG-O 3.4Å; L847-Q865 PolarHBondContact N-O 2.86Å; L847-K870 HydrophobicContact CD1-CB 3.72Å; L847-K870 HydrophobicContact CD1-CG 3.67Å
848	V	91.4	Very high	84.5	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-37.3	176.6	-177.5	0	0	0	0	111	L772 V786 F817 I840 E842	L772-V848 HydrophobicContact CD2-CG1 4.35Å; V786-V848 HydrophobicContact CG1-CG1 3.55Å; V786-V848 HydrophobicContact CG2-CG1 4.16Å; F817-V848 HydrophobicContact CB-CG1 4.43Å; F817-V848 HydrophobicContact CG-CG1 4.35Å; I840-V848 HydrophobicContact CB-CB 4.32Å; I840-V848 HydrophobicContact CG2-CB 4.11Å; I840-V848 PolarHBondContact O-N 2.91Å; E842-V848 HydrophobicContact CB-CG2 4.5Å
849	A	90.4	Very high	82.9	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.008	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	129.9	174.1	0	0	0	0	0	109.2	F817 L821 F839 I840	F817-A849 HydrophobicContact CB-CB 4.12Å; L821-A849 HydrophobicContact CD2-CB 4.29Å; F839-A849 CarbonylContact C-O 3.33Å; F839-A849 WeakPolarHBondContact CA-O 3.31Å; F839-A849 VanDerWaalsContact CB-O 3.26Å; F839-A849 WeakPolarHBondContact CB-O 3.34Å; I840-A849 HydrophobicContact CB-CB 4.24Å; I840-A849 HydrophobicContact CD1-CB 4.4Å; I840-A849 HydrophobicContact CG1-CB 4.38Å; I840-A849 PolarHBondContact N-O 3.35Å; I840-A849 PolarHBondContact O-N 3.07Å
850	H	89.9	Confident	81	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.009	17%	0.172	C	C	.	.			trans	-168.7	146	-175.8	-176.2	-91.5	0	0	0	108.6	F839 L847 T852 L853 E871	F839-H850 HydrophobicContact CB-CB 4.31Å; L847-H850 HydrophobicContact CB-CB 4.18Å; L847-H850 HydrophobicContact CD1-CB 4.05Å; L847-H850 HydrophobicContact CD2-CB 4.39Å; L847-H850 HydrophobicContact CG-CB 4.44Å; H850-T852 VanDerWaalsContact C-N 3.32Å; H850-T852 PolarHBondContact CE1-OG1 3.4Å; H850-T852 PolarHBondContact ND1-N 3.07Å; H850-T852 VanDerWaalsContact ND1-N 3.2Å; H850-T852 PolarHBondContact ND1-OG1 3.12Å; H850-T852 PolarHBondContact O-N 3.35Å; H850-L853 HydrophobicContact CB-CD1 3.87Å; H850-L853 HydrophobicContact CB-CG 4.14Å; H850-L853 WeakPolarHBondContact O-CB 3.28Å; H850-L853 PolarHBondContact O-N 2.78Å; H850-L853 VanDerWaalsContact O-N 3.14Å; H850-E871 IonicContact NE2-OE1 2.74Å; H850-E871 PolarHBondContact NE2-OE1 3.13Å
851	P	85.1	Confident	79.3	Confident	33 Å²	33	35.4 Å²	35.4	21%	0.214	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-56.3	-41.8	-176.4	-25.2	32.7	0	0	0	114	Y818 L853 I854 D855	Y818-P851 HydrophobicContact CE2-CB 4.27Å; Y818-P851 HydrophobicContact CE2-CG 3.88Å; P851-L853 VanDerWaalsContact C-N 3.25Å; P851-L853 PolarHBondContact O-N 2.65Å; P851-I854 PolarHBondContact O-N 3.3Å; P851-D855 PolarHBondContact O-N 3.32Å; P851-D855 VanDerWaalsContact O-N 3.09Å
852	T	81.8	Confident	77.9	Confident	44 Å²	44	36.3 Å²	36.3	27%	0.27	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-78.6	2.1	-177.7	65.7	0	0	0	0	115.4	H850 I854 Q865 K870	H850-T852 VanDerWaalsContact C-N 3.32Å; H850-T852 PolarHBondContact CE1-OG1 3.4Å; H850-T852 PolarHBondContact ND1-N 3.07Å; H850-T852 VanDerWaalsContact ND1-N 3.2Å; H850-T852 PolarHBondContact ND1-OG1 3.12Å; H850-T852 PolarHBondContact O-N 3.35Å; T852-I854 VanDerWaalsContact C-N 3.26Å; T852-Q865 PolarHBondContact O-NE2 3.27Å; T852-Q865 VanDerWaalsContact O-NE2 3.07Å; T852-Q865 PolarHBondContact O-OE1 3.06Å; T852-Q865 PolarHBondContact OG1-OE1 2.97Å; T852-K870 WeakPolarHBondContact OG1-CD 3.4Å; T852-K870 WeakPolarHBondContact OG1-CE 3.43Å
853	L	81.1	Confident	76.3	Confident	11 Å²	11	39.5 Å²	39.5	6%	0.058	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-78	-14.7	162.7	-70.4	166.1	0	0	0	111.7	P775 L814 L847 H850 P851 V862 Q865	P775-L853 HydrophobicContact CG-CD2 4.44Å; L814-L853 HydrophobicContact CD1-CB 4.38Å; L814-L853 HydrophobicContact CD1-CD1 4.35Å; L814-L853 HydrophobicContact CD2-CB 4.46Å; L814-L853 WeakPolarHBondContact CD2-O 3.28Å; L847-L853 HydrophobicContact CB-CD1 4.03Å; H850-L853 HydrophobicContact CB-CD1 3.87Å; H850-L853 HydrophobicContact CB-CG 4.14Å; H850-L853 WeakPolarHBondContact O-CB 3.28Å; H850-L853 PolarHBondContact O-N 2.78Å; H850-L853 VanDerWaalsContact O-N 3.14Å; P851-L853 VanDerWaalsContact C-N 3.25Å; P851-L853 PolarHBondContact O-N 2.65Å; L853-V862 HydrophobicContact CD2-CB 4.45Å; L853-V862 HydrophobicContact CD2-CG1 3.52Å; L853-Q865 HydrophobicContact CD2-CB 3.83Å; L853-Q865 HydrophobicContact CD2-CG 3.92Å
854	I	79.1	Confident	75.4	Confident	23 Å²	23	42.7 Å²	42.7	12%	0.118	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128	-19.2	-166.4	-57	173.9	0	0	0	112.7	R815 Y818 P851 T852 F1034	R815-I854 HydrophobicContact CB-CD1 4.31Å; R815-I854 HydrophobicContact CG-CD1 3.95Å; R815-I854 HydrophobicContact CG-CG1 4.05Å; R815-I854 HydrophobicContact CG-CG2 4.03Å; Y818-I854 HydrophobicContact CD1-CD1 3.81Å; Y818-I854 HydrophobicContact CD2-CD1 4.14Å; Y818-I854 HydrophobicContact CG-CD1 3.49Å; Y818-I854 VanDerWaalsContact CG-CD1 3.49Å; P851-I854 PolarHBondContact O-N 3.3Å; T852-I854 VanDerWaalsContact C-N 3.26Å; I854-F1034 HydrophobicContact CD1-CE1 4.2Å; I854-F1034 HydrophobicContact CD1-CZ 3.77Å; I854-F1034 HydrophobicContact CG2-CE2 3.75Å; I854-F1034 HydrophobicContact CG2-CZ 3.71Å
855	D	76.8	Confident	75	Confident	70 Å²	70	40.5 Å²	40.5	37%	0.374	22%	0.217	S	C	.	.			trans	-56.6	122.7	170.7	173.3	19.1	0	0	0	111.8	P851 K857 G858	P851-D855 PolarHBondContact O-N 3.32Å; P851-D855 VanDerWaalsContact O-N 3.09Å; D855-K857 PolarHBondContact O-N 3Å; D855-K857 WeakPolarHBondContact OD1-CB 3.48Å; D855-K857 PolarHBondContact OD1-N 3.27Å; D855-G858 PolarHBondContact O-N 3.01Å
856	P	66.7	Low	74.9	Confident	21 Å²	21	40.6 Å²	40.6	14%	0.136	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-20.7	175.1	21.9	-33.6	0	0	0	113.7	G858 M1043 V1044 G1065 I1067	P856-G858 VanDerWaalsContact C-N 3.26Å; P856-G858 PolarHBondContact O-N 3.15Å; P856-M1043 HydrophobicContact CG-CE 4.02Å; P856-M1043 HydrophobicContact CG-CG 4.25Å; P856-M1043 HydrophobicContact CG-SD 4.13Å; P856-V1044 HydrophobicContact CB-CG2 3.99Å; P856-V1044 HydrophobicContact CG-CG2 3.81Å; P856-G1065 WeakPolarHBondContact CA-O 3.45Å; P856-G1065 WeakPolarHBondContact CB-O 3.45Å; P856-I1067 HydrophobicContact CB-CD1 4.42Å; P856-I1067 HydrophobicContact CB-CG1 3.86Å
857	K	65.9	Low	74.9	Confident	100 Å²	100	37.8 Å²	37.8	44%	0.435	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	5	178.6	-60.7	164.1	-173.6	168.9	0	112.7	D855 H859 H1051	D855-K857 PolarHBondContact O-N 3Å; D855-K857 WeakPolarHBondContact OD1-CB 3.48Å; D855-K857 PolarHBondContact OD1-N 3.27Å; K857-H859 PolarHBondContact O-N 2.73Å; K857-H859 PolarHBondContact O-ND1 3.46Å; K857-H1051 PolarHBondContact NZ-NE2 3.18Å
858	G	60.9	Low	74.8	Confident	37 Å²	37	38 Å²	38	38%	0.381	21%	0.208	S	C	.	.			trans	-69.9	102.3	175.7	0	0	0	0	0	114	D855 P856 A860	D855-G858 PolarHBondContact O-N 3.01Å; P856-G858 VanDerWaalsContact C-N 3.26Å; P856-G858 PolarHBondContact O-N 3.15Å; G858-A860 PolarHBondContact O-N 3.18Å
859	H	56.1	Low	74.4	Confident	192 Å²	192	40.1 Å²	40.1	89%	0.889	22%	0.218	S	C	*	.			trans	-84	3.1	-177.3	-73.4	63.2	0	0	0	115.4	K857	K857-H859 PolarHBondContact O-N 2.73Å; K857-H859 PolarHBondContact O-ND1 3.46Å
860	A	53.2	Low	74.1	Confident	28 Å²	28	42 Å²	42	23%	0.231	23%	0.226	C	C	.	.	S	Bend	trans	-118.4	145.5	-172.5	0	0	0	0	0	112.2	G858 V862	G858-A860 PolarHBondContact O-N 3.18Å; A860-V862 PolarHBondContact O-N 2.03Å
861	P	57.8	Low	74	Confident	60 Å²	60	42.1 Å²	42.1	39%	0.39	23%	0.226	S	C	.	.			trans	-54.3	130.9	179.5	-24.6	33.7	0	0	0	112.4	E863 Q864	P861-E863 PolarHBondContact O-N 2.96Å; P861-Q864 HydrophobicContact CB-CB 4.41Å; P861-Q864 HydrophobicContact CB-CG 4.13Å; P861-Q864 PolarHBondContact O-N 3.04Å
862	V	64.3	Low	74.1	Confident	19 Å²	19	42 Å²	42	12%	0.115	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-57.1	-41	-177.7	-179.3	0	0	0	0	111	P775 Y784 L814 L853 A860 Q864 Q865	P775-V862 HydrophobicContact CB-CG1 3.74Å; P775-V862 HydrophobicContact CG-CG1 4.21Å; Y784-V862 HydrophobicContact CD1-CB 3.9Å; Y784-V862 HydrophobicContact CD1-CG1 4.27Å; Y784-V862 HydrophobicContact CD1-CG2 4.48Å; Y784-V862 HydrophobicContact CD2-CB 3.89Å; Y784-V862 HydrophobicContact CD2-CG1 4.36Å; Y784-V862 HydrophobicContact CD2-CG2 3.55Å; Y784-V862 HydrophobicContact CE1-CB 3.87Å; Y784-V862 HydrophobicContact CE1-CG2 4.38Å; Y784-V862 HydrophobicContact CE2-CB 3.85Å; Y784-V862 HydrophobicContact CE2-CG2 3.42Å; Y784-V862 VanDerWaalsContact CE2-CG2 3.42Å; Y784-V862 HydrophobicContact CG-CB 3.91Å; Y784-V862 HydrophobicContact CG-CG1 4.08Å; Y784-V862 HydrophobicContact CG-CG2 4.1Å; L814-V862 HydrophobicContact CD1-CG1 4.01Å; L814-V862 HydrophobicContact CD2-CG1 3.61Å; L814-V862 HydrophobicContact CD2-CG2 4.47Å; L814-V862 HydrophobicContact CG-CG1 4.46Å; L853-V862 HydrophobicContact CD2-CB 4.45Å; L853-V862 HydrophobicContact CD2-CG1 3.52Å; A860-V862 PolarHBondContact O-N 2.03Å; V862-Q864 PolarHBondContact O-N 3.35Å; V862-Q865 PolarHBondContact O-N 2.03Å
863	E	56.8	Low	74.2	Confident	70 Å²	70	41.2 Å²	41.2	33%	0.327	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-55.9	-13.9	174	-75.9	154.8	144.9	0	0	115.9	P775 L777 Y784 P861	P775-E863 WeakPolarHBondContact O-CA 3.19Å; P775-E863 VanDerWaalsContact O-CG 3.24Å; P775-E863 WeakPolarHBondContact O-CG 3.33Å; L777-E863 WeakPolarHBondContact CB-OE1 3.41Å; L777-E863 PolarHBondContact N-OE1 3.03Å; Y784-E863 HydrophobicContact CD1-CG 4.33Å; Y784-E863 HydrophobicContact CE1-CG 3.89Å; P861-E863 PolarHBondContact O-N 2.96Å
864	Q	68.6	Low	74.5	Confident	73 Å²	73	40.7 Å²	40.7	34%	0.341	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-120.6	14.8	-170.5	-54.6	-171.4	18.6	0	0	112.1	P861 V862 H866	P861-Q864 HydrophobicContact CB-CB 4.41Å; P861-Q864 HydrophobicContact CB-CG 4.13Å; P861-Q864 PolarHBondContact O-N 3.04Å; V862-Q864 PolarHBondContact O-N 3.35Å; Q864-H866 PolarHBondContact O-N 3.15Å; Q864-H866 VanDerWaalsContact O-N 3.15Å
865	Q	79.5	Confident	75	Confident	5 Å²	5	39.8 Å²	39.8	2%	0.023	21%	0.213	C	C	.	.			trans	-86.1	81.2	176.9	-56.4	-159.1	19.2	0	0	111.1	L847 T852 L853 V862 K870	L847-Q865 WeakPolarHBondContact CB-O 3.18Å; L847-Q865 HydrophobicContact CD1-CB 4.43Å; L847-Q865 WeakPolarHBondContact CG-O 3.4Å; L847-Q865 PolarHBondContact N-O 2.86Å; T852-Q865 PolarHBondContact O-NE2 3.27Å; T852-Q865 VanDerWaalsContact O-NE2 3.07Å; T852-Q865 PolarHBondContact O-OE1 3.06Å; T852-Q865 PolarHBondContact OG1-OE1 2.97Å; L853-Q865 HydrophobicContact CD2-CB 3.83Å; L853-Q865 HydrophobicContact CD2-CG 3.92Å; V862-Q865 PolarHBondContact O-N 2.03Å; Q865-K870 HydrophobicContact CB-CG 4.3Å
866	H	87.4	Confident	75.5	Confident	3 Å²	3	40 Å²	40	1%	0.014	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-80.6	152.2	169.1	-175.4	-102.1	0	0	0	111.3	R844 G845 Y846 Q864 T868 H869 K870 Y902 P972	R844-H866 PolarHBondContact O-CD2 2.81Å; R844-H866 PolarHBondContact O-NE2 3.44Å; G845-H866 PolarHBondContact O-CD2 3.02Å; Y846-H866 HydrophobicContact CD1-CB 4.1Å; Y846-H866 HydrophobicContact CE1-CB 4.11Å; Q864-H866 PolarHBondContact O-N 3.15Å; Q864-H866 VanDerWaalsContact O-N 3.15Å; H866-T868 VanDerWaalsContact C-N 3.25Å; H866-T868 PolarHBondContact ND1-N 3.46Å; H866-T868 PolarHBondContact ND1-OG1 3.05Å; H866-T868 PolarHBondContact O-N 2.78Å; H866-H869 WeakPolarHBondContact O-CB 3.08Å; H866-H869 PolarHBondContact O-N 3.34Å; H866-K870 PolarHBondContact O-N 2.92Å; H866-Y902 AromaticContact CE1-CD2 3.25Å; H866-Y902 WeakPolarHBondContact CE1-CD2 3.21Å; H866-Y902 AromaticContact CE1-CE2 3.68Å; H866-Y902 AromaticContact CE1-CG 3.97Å; H866-Y902 AromaticContact NE2-CD2 3.53Å; H866-P972 HydrophobicContact CB-CG 3.92Å; H866-P972 VanDerWaalsContact CG-CG 3.49Å; H866-P972 WeakPolarHBondContact ND1-CD 3.17Å
867	I	89.6	Confident	76.4	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-54.1	-37.2	-179.8	-171.5	172.9	0	0	0	113.1	F839 M841 G845 H869 K870 E871 I878 F904	F839-I867 HydrophobicContact CE2-CD1 3.91Å; F839-I867 HydrophobicContact CZ-CD1 3.64Å; M841-I867 HydrophobicContact SD-CB 4.41Å; M841-I867 HydrophobicContact SD-CD1 3.77Å; M841-I867 HydrophobicContact SD-CG2 4.39Å; G845-I867 PolarHBondContact O-N 2.98Å; I867-H869 PolarHBondContact O-N 3.06Å; I867-K870 PolarHBondContact O-N 2.83Å; I867-E871 HydrophobicContact CG1-CB 3.97Å; I867-E871 CarbonylContact O-C 3.53Å; I867-E871 WeakPolarHBondContact O-CA 3.02Å; I867-E871 PolarHBondContact O-N 3.1Å; I867-I878 HydrophobicContact CD1-CD1 4.28Å; I867-F904 HydrophobicContact CG2-CZ 4Å
868	T	88.1	Confident	77.5	Confident	5 Å²	5	35 Å²	35	3%	0.031	19%	0.191	C	C	.	.	H	α-helix	trans	-66.2	-17.1	178	60.6	0	0	0	0	114.5	H866 A875 Y902 C949 E970	H866-T868 VanDerWaalsContact C-N 3.25Å; H866-T868 PolarHBondContact ND1-N 3.46Å; H866-T868 PolarHBondContact ND1-OG1 3.05Å; H866-T868 PolarHBondContact O-N 2.78Å; T868-A875 HydrophobicContact CG2-CB 3.71Å; T868-Y902 HydrophobicContact CG2-CE2 4.03Å; T868-C949 WeakPolarHBondContact O-CB 3.46Å; T868-C949 PolarHBondContact O-SG 3Å; T868-C949 VanDerWaalsContact O-SG 3.36Å; T868-E970 VanDerWaalsContact CB-O 3.24Å; T868-E970 WeakPolarHBondContact CB-O 3.44Å; T868-E970 WeakPolarHBondContact CG2-O 3.28Å; T868-E970 PolarHBondContact OG1-O 2.83Å
869	H	83.3	Confident	78.8	Confident	44 Å²	44	33.5 Å²	33.5	20%	0.204	17%	0.174	C	C	.	.	H	α-helix	trans	-90.2	-35	173.9	175.8	-173.1	0	0	0	111.5	H866 I867	H866-H869 WeakPolarHBondContact O-CB 3.08Å; H866-H869 PolarHBondContact O-N 3.34Å; I867-H869 PolarHBondContact O-N 3.06Å
870	K	85	Confident	80.3	Confident	42 Å²	42	26.7 Å²	26.7	18%	0.183	14%	0.144	C	C	.	.	H	α-helix	trans	-99.5	-28	-174.2	-60.1	-46.6	-168.3	-167.3	0	115.3	L847 T852 Q865 H866 I867 P872	L847-K870 HydrophobicContact CD1-CB 3.72Å; L847-K870 HydrophobicContact CD1-CG 3.67Å; T852-K870 WeakPolarHBondContact OG1-CD 3.4Å; T852-K870 WeakPolarHBondContact OG1-CE 3.43Å; Q865-K870 HydrophobicContact CB-CG 4.3Å; H866-K870 PolarHBondContact O-N 2.92Å; I867-K870 PolarHBondContact O-N 2.83Å; K870-P872 VanDerWaalsContact C-CD 3.48Å
871	E	87.3	Confident	81.9	Confident	3 Å²	3	26.3 Å²	26.3	1%	0.014	14%	0.138	C	C	.	.			trans	-130.3	61.4	-178.9	-63.9	-67.7	-177.3	0	0	110.7	R837 F839 H850 I867 L873 V874 A875	R837-E871 IonicContact CZ-OE1 2.68Å; R837-E871 IonicContact CZ-OE2 2.63Å; R837-E871 IonicContact NH1-OE1 2.83Å; R837-E871 PolarHBondContact NH1-OE1 3.32Å; R837-E871 IonicContact NH1-OE2 2.72Å; R837-E871 PolarHBondContact NH1-OE2 2.78Å; R837-E871 IonicContact NH2-OE2 3.68Å; F839-E871 HydrophobicContact CD1-CG 4.5Å; F839-E871 HydrophobicContact CE1-CG 4.32Å; H850-E871 IonicContact NE2-OE1 2.74Å; H850-E871 PolarHBondContact NE2-OE1 3.13Å; I867-E871 HydrophobicContact CG1-CB 3.97Å; I867-E871 CarbonylContact O-C 3.53Å; I867-E871 WeakPolarHBondContact O-CA 3.02Å; I867-E871 PolarHBondContact O-N 3.1Å; E871-L873 VanDerWaalsContact C-N 3.32Å; E871-L873 PolarHBondContact O-N 2.84Å; E871-V874 HydrophobicContact CB-CB 4.07Å; E871-V874 HydrophobicContact CB-CG2 4.29Å; E871-V874 PolarHBondContact O-N 2.52Å; E871-A875 WeakPolarHBondContact O-CB 3.43Å; E871-A875 PolarHBondContact O-N 3.1Å
872	P	86.1	Confident	83.1	Confident	31 Å²	31	28.2 Å²	28.2	20%	0.201	15%	0.15	C	C	.	.	H	α-helix	trans	-63.2	-34.3	-171.3	25.5	-35.1	0	0	0	113.4	K870 N876 A947 C949	K870-P872 VanDerWaalsContact C-CD 3.48Å; P872-N876 VanDerWaalsContact O-CB 3.25Å; P872-N876 WeakPolarHBondContact O-CB 3.24Å; P872-N876 PolarHBondContact O-N 2.97Å; P872-A947 HydrophobicContact CB-CB 4.23Å; P872-A947 HydrophobicContact CG-CB 4.41Å; P872-A947 WeakPolarHBondContact CG-O 3.06Å; P872-C949 VanDerWaalsContact CB-SG 3.59Å
873	L	85	Confident	83.9	Confident	27 Å²	27	34.3 Å²	34.3	14%	0.141	18%	0.182	C	C	.	.	H	α-helix	trans	-60.3	-49.9	173.9	-76.4	165.3	0	0	0	111.6	E871 N876 D877 S922 A947	E871-L873 VanDerWaalsContact C-N 3.32Å; E871-L873 PolarHBondContact O-N 2.84Å; L873-N876 PolarHBondContact O-N 2.93Å; L873-D877 PolarHBondContact O-N 2.68Å; L873-S922 WeakPolarHBondContact CB-OG 3.32Å; L873-A947 HydrophobicContact CB-CB 4.48Å; L873-A947 HydrophobicContact CD2-CB 3.6Å; L873-A947 HydrophobicContact CG-CB 3.72Å
874	V	87.9	Confident	85.4	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-67	-44.9	-179.1	179.1	0	0	0	0	110.2	E871 N876 D877 I878 Y924 V939	E871-V874 HydrophobicContact CB-CB 4.07Å; E871-V874 HydrophobicContact CB-CG2 4.29Å; E871-V874 PolarHBondContact O-N 2.52Å; V874-N876 VanDerWaalsContact C-N 3.31Å; V874-N876 PolarHBondContact O-N 2.74Å; V874-D877 PolarHBondContact O-N 3.2Å; V874-I878 HydrophobicContact CG1-CD1 3.62Å; V874-I878 HydrophobicContact CG1-CG1 4.2Å; V874-I878 VanDerWaalsContact O-CB 3.24Å; V874-I878 WeakPolarHBondContact O-CB 3.37Å; V874-I878 VanDerWaalsContact O-CG1 3.27Å; V874-I878 WeakPolarHBondContact O-CG1 3Å; V874-I878 PolarHBondContact O-N 2.95Å; V874-Y924 HydrophobicContact CB-CD1 4.37Å; V874-Y924 HydrophobicContact CG1-CD1 3.91Å; V874-Y924 HydrophobicContact CG1-CD2 3.98Å; V874-Y924 HydrophobicContact CG1-CE1 4.27Å; V874-Y924 HydrophobicContact CG1-CE2 4.35Å; V874-Y924 HydrophobicContact CG1-CG 3.75Å; V874-Y924 HydrophobicContact CG2-CD1 4.18Å; V874-Y924 HydrophobicContact CG2-CG 4.28Å; V874-V939 HydrophobicContact CG2-CB 4.49Å; V874-V939 HydrophobicContact CG2-CG1 3.81Å; V874-V939 HydrophobicContact CG2-CG2 3.8Å
875	A	88.9	Confident	86.3	Confident	3 Å²	3	28.3 Å²	28.3	3%	0.025	15%	0.154	C	C	.	.	H	α-helix	trans	-61.2	-38.5	178	0	0	0	0	0	112.5	T868 E871 L879	T868-A875 HydrophobicContact CG2-CB 3.71Å; E871-A875 WeakPolarHBondContact O-CB 3.43Å; E871-A875 PolarHBondContact O-N 3.1Å; A875-L879 VanDerWaalsContact O-CG 3.28Å; A875-L879 WeakPolarHBondContact O-CG 3.39Å; A875-L879 PolarHBondContact O-N 2.84Å
876	N	86.8	Confident	86.7	Confident	75 Å²	75	33.9 Å²	33.9	40%	0.401	18%	0.178	S	C	.	.	H	α-helix	trans	-67.6	-38.2	178.9	-170.2	82.1	0	0	0	113	P872 L873 V874 N880 C969	P872-N876 VanDerWaalsContact O-CB 3.25Å; P872-N876 WeakPolarHBondContact O-CB 3.24Å; P872-N876 PolarHBondContact O-N 2.97Å; L873-N876 PolarHBondContact O-N 2.93Å; V874-N876 VanDerWaalsContact C-N 3.31Å; V874-N876 PolarHBondContact O-N 2.74Å; N876-N880 PolarHBondContact O-ND2 3.04Å; N876-C969 HydrophobicContact CB-CB 4.39Å
877	D	87.1	Confident	86.7	Confident	12 Å²	12	34.4 Å²	34.4	6%	0.064	18%	0.181	C	C	.	.	H	α-helix	trans	-74.6	-41.1	174.2	-168.2	58.1	0	0	0	111.9	L873 V874 L879 N880 H881 N914 L915 V916 Y924	L873-D877 PolarHBondContact O-N 2.68Å; V874-D877 PolarHBondContact O-N 3.2Å; D877-L879 PolarHBondContact O-N 2.86Å; D877-L879 VanDerWaalsContact O-N 3.13Å; D877-N880 WeakPolarHBondContact O-CB 3.42Å; D877-N880 PolarHBondContact O-N 3.01Å; D877-H881 IonicContact OD2-NE2 3.08Å; D877-N914 WeakPolarHBondContact OD2-CA 3.47Å; D877-L915 PolarHBondContact OD2-N 3.28Å; D877-V916 PolarHBondContact OD1-N 3.34Å; D877-Y924 HydrophobicContact CB-CE1 3.98Å; D877-Y924 WeakPolarHBondContact OD2-CE1 3.23Å; D877-Y924 PolarHBondContact OD2-OH 2.78Å
878	I	88.8	Confident	86.4	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.015	19%	0.188	C	C	.	.	H	α-helix	trans	-52.4	-35.4	175.1	-83.1	-178.7	0	0	0	112.8	I867 V874 N880 H881 F884 V885 F904 Y924 L926	I867-I878 HydrophobicContact CD1-CD1 4.28Å; V874-I878 HydrophobicContact CG1-CD1 3.62Å; V874-I878 HydrophobicContact CG1-CG1 4.2Å; V874-I878 VanDerWaalsContact O-CB 3.24Å; V874-I878 WeakPolarHBondContact O-CB 3.37Å; V874-I878 VanDerWaalsContact O-CG1 3.27Å; V874-I878 WeakPolarHBondContact O-CG1 3Å; V874-I878 PolarHBondContact O-N 2.95Å; I878-N880 VanDerWaalsContact C-N 3.25Å; I878-N880 PolarHBondContact O-N 3.15Å; I878-H881 PolarHBondContact O-N 2.69Å; I878-F884 HydrophobicContact CG2-CD1 4.11Å; I878-F884 HydrophobicContact CG2-CE1 4.03Å; I878-V885 HydrophobicContact CG2-CG2 3.38Å; I878-F904 HydrophobicContact CG2-CE1 4.03Å; I878-Y924 HydrophobicContact CD1-CE2 4.28Å; I878-Y924 HydrophobicContact CG1-CE2 3.91Å; I878-L926 HydrophobicContact CD1-CD2 3.89Å
879	L	87.9	Confident	86.3	Confident	6 Å²	6	37.7 Å²	37.7	3%	0.031	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-19.1	178.5	-70.6	168.8	0	0	0	114.1	A875 D877 V885 Y902 C969	A875-L879 VanDerWaalsContact O-CG 3.28Å; A875-L879 WeakPolarHBondContact O-CG 3.39Å; A875-L879 PolarHBondContact O-N 2.84Å; D877-L879 PolarHBondContact O-N 2.86Å; D877-L879 VanDerWaalsContact O-N 3.13Å; L879-V885 HydrophobicContact CD2-CB 4.25Å; L879-V885 HydrophobicContact CD2-CG1 3.83Å; L879-Y902 HydrophobicContact CD1-CE1 4.5Å; L879-Y902 HydrophobicContact CD2-CD1 4.17Å; L879-Y902 HydrophobicContact CD2-CE1 3.58Å; L879-C969 HydrophobicContact CD1-CB 4.14Å
880	N	87.1	Confident	86.4	Confident	50 Å²	50	35.9 Å²	35.9	27%	0.267	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-13.7	174.9	-60.8	-62.4	0	0	0	113	N876 D877 I878 P882 L915 N967	N876-N880 PolarHBondContact O-ND2 3.04Å; D877-N880 WeakPolarHBondContact O-CB 3.42Å; D877-N880 PolarHBondContact O-N 3.01Å; I878-N880 VanDerWaalsContact C-N 3.25Å; I878-N880 PolarHBondContact O-N 3.15Å; N880-P882 WeakPolarHBondContact O-CD 3.41Å; N880-L915 HydrophobicContact CB-CD2 4.05Å; N880-L915 WeakPolarHBondContact O-CD2 3.23Å; N880-N967 PolarHBondContact OD1-ND2 2.85Å
881	H	86.6	Confident	86.3	Confident	20 Å²	20	34 Å²	34	9%	0.093	18%	0.182	C	C	.	.	S	Bend	trans	-71.1	116.5	177.8	-79.5	-94.5	0	0	0	111.5	D877 I878 N883 F884 L912 T913 Y924	D877-H881 IonicContact OD2-NE2 3.08Å; I878-H881 PolarHBondContact O-N 2.69Å; H881-N883 PolarHBondContact O-N 2.86Å; H881-F884 HydrophobicContact CB-CB 3.96Å; H881-F884 PolarHBondContact O-N 3.46Å; H881-L912 WeakPolarHBondContact ND1-CD2 3.26Å; H881-T913 PolarHBondContact CE1-O 3.41Å; H881-T913 PolarHBondContact NE2-O 3.35Å; H881-Y924 PolarHBondContact CD2-OH 3.36Å; H881-Y924 PolarHBondContact NE2-OH 3.46Å
882	P	83.1	Confident	86.1	Confident	100 Å²	100	34.1 Å²	34.1	65%	0.649	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	133.5	-174.7	26.4	-34.6	0	0	0	111.4	N880 F884	N880-P882 WeakPolarHBondContact O-CD 3.41Å; P882-F884 PolarHBondContact O-N 2.92Å; P882-F884 VanDerWaalsContact O-N 3.14Å
883	N	81.6	Confident	85.8	Confident	147 Å²	147	33 Å²	33	79%	0.786	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	10.1	179	-49.8	-60	0	0	0	116.2	H881 N905	H881-N883 PolarHBondContact O-N 2.86Å; N883-N905 WeakPolarHBondContact O-CB 3.07Å; N883-N905 PolarHBondContact O-ND2 3.18Å
884	F	87.3	Confident	85.2	Confident	9 Å²	9	33.2 Å²	33.2	4%	0.039	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-49.6	175.2	179.5	-122.4	0	0	0	113.2	I878 H881 P882 F904 N905 L908 L912 L926 F935	I878-F884 HydrophobicContact CG2-CD1 4.11Å; I878-F884 HydrophobicContact CG2-CE1 4.03Å; H881-F884 HydrophobicContact CB-CB 3.96Å; H881-F884 PolarHBondContact O-N 3.46Å; P882-F884 PolarHBondContact O-N 2.92Å; P882-F884 VanDerWaalsContact O-N 3.14Å; F884-F904 AromaticContact CE1-CD1 3.79Å; F884-F904 HydrophobicContact CE1-CD1 3.79Å; F884-F904 HydrophobicContact CE1-CE1 4.3Å; F884-F904 AromaticContact CZ-CD1 3.8Å; F884-F904 HydrophobicContact CZ-CD1 3.8Å; F884-N905 HydrophobicContact CD2-CB 4.14Å; F884-N905 VanDerWaalsContact O-CB 3.25Å; F884-N905 WeakPolarHBondContact O-CB 3.35Å; F884-N905 PolarHBondContact O-N 2.99Å; F884-L908 HydrophobicContact CD2-CD1 4.4Å; F884-L908 HydrophobicContact CD2-CD2 4.43Å; F884-L908 HydrophobicContact CE2-CB 4.41Å; F884-L908 HydrophobicContact CE2-CD2 3.96Å; F884-L912 HydrophobicContact CB-CD1 4.47Å; F884-L912 HydrophobicContact CD1-CD1 3.4Å; F884-L912 VanDerWaalsContact CD1-CD1 3.4Å; F884-L912 HydrophobicContact CD2-CD1 3.62Å; F884-L912 HydrophobicContact CE1-CD1 3.38Å; F884-L912 HydrophobicContact CE2-CD1 3.61Å; F884-L912 HydrophobicContact CG-CD1 3.54Å; F884-L912 HydrophobicContact CZ-CD1 3.5Å; F884-L912 VanDerWaalsContact CZ-CD1 3.5Å; F884-L926 HydrophobicContact CE1-CD2 3.66Å; F884-L926 HydrophobicContact CZ-CD2 3.58Å; F884-F935 HydrophobicContact CE2-CD1 4.48Å; F884-F935 AromaticContact CE2-CE1 3.76Å; F884-F935 HydrophobicContact CE2-CE1 3.76Å; F884-F935 HydrophobicContact CE2-CZ 4.11Å; F884-F935 HydrophobicContact CZ-CD1 4.37Å; F884-F935 HydrophobicContact CZ-CE1 4.05Å; F884-F935 HydrophobicContact CZ-CZ 4.43Å
885	V	88.7	Confident	84.6	Confident	8 Å²	8	36.1 Å²	36.1	5%	0.048	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	136.9	177.3	-175.3	0	0	0	0	110.4	I878 L879 Y902 F904 Q966	I878-V885 HydrophobicContact CG2-CG2 3.38Å; L879-V885 HydrophobicContact CD2-CB 4.25Å; L879-V885 HydrophobicContact CD2-CG1 3.83Å; V885-Y902 HydrophobicContact CG1-CD1 3.7Å; V885-Y902 HydrophobicContact CG1-CE1 4.46Å; V885-F904 HydrophobicContact CG1-CE1 4.38Å; V885-F904 HydrophobicContact CG1-CZ 4.33Å; V885-F904 HydrophobicContact CG2-CD1 3.52Å; V885-F904 HydrophobicContact CG2-CE1 3.48Å; V885-F904 VanDerWaalsContact CG2-CE1 3.48Å; V885-F904 HydrophobicContact CG2-CG 4.3Å; V885-F904 HydrophobicContact CG2-CZ 4.22Å; V885-Q966 PolarHBondContact O-NE2 2.79Å
886	K	86.9	Confident	84.1	Confident	121 Å²	121	40.1 Å²	40.1	53%	0.526	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.5	170.2	-174.7	-177.2	177.7	-142.2	0	110.2	N888 K903	K886-N888 WeakPolarHBondContact CD-OD1 3.46Å; K886-N888 VanDerWaalsContact CE-OD1 3.24Å; K886-N888 WeakPolarHBondContact CE-OD1 3.28Å; K886-N888 PolarHBondContact NZ-OD1 3.05Å; K886-N888 PolarHBondContact O-ND2 3.42Å; K886-K903 PolarHBondContact N-O 2.85Å; K886-K903 PolarHBondContact O-N 3.34Å
887	K	87.3	Confident	84	Confident	14 Å²	14	36.7 Å²	36.7	6%	0.061	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	130.3	161.6	-70	-167.9	178.4	-174.1	0	110	Y902 M964 E965 Q966 E968 E970	K887-Y902 HydrophobicContact CD-CE1 4.22Å; K887-Y902 WeakPolarHBondContact CE-OH 3.38Å; K887-Y902 HydrophobicContact CG-CD1 4.03Å; K887-Y902 HydrophobicContact CG-CE1 3.58Å; K887-M964 HydrophobicContact CB-CE 3.89Å; K887-M964 HydrophobicContact CD-CE 4.43Å; K887-M964 HydrophobicContact CD-CG 4.18Å; K887-E965 WeakPolarHBondContact CD-O 3.48Å; K887-E965 VanDerWaalsContact CE-O 3.27Å; K887-E965 WeakPolarHBondContact CE-O 3.01Å; K887-E965 PolarHBondContact NZ-O 2.99Å; K887-Q966 VanDerWaalsContact N-OE1 3.12Å; K887-E968 WeakPolarHBondContact CE-O 3.37Å; K887-E968 PolarHBondContact NZ-O 3.08Å; K887-E970 WeakPolarHBondContact CE-OE1 3.35Å; K887-E970 IonicContact NZ-OE1 2.69Å; K887-E970 PolarHBondContact NZ-OE1 2.92Å
888	N	84.4	Confident	84	Confident	30 Å²	30	36.4 Å²	36.4	16%	0.16	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	156.2	172	-57.8	-78.7	0	0	0	109.3	K886 F901 K903	K886-N888 WeakPolarHBondContact CD-OD1 3.46Å; K886-N888 VanDerWaalsContact CE-OD1 3.24Å; K886-N888 WeakPolarHBondContact CE-OD1 3.28Å; K886-N888 PolarHBondContact NZ-OD1 3.05Å; K886-N888 PolarHBondContact O-ND2 3.42Å; N888-F901 HydrophobicContact CB-CD1 4.42Å; N888-F901 HydrophobicContact CB-CD2 4.31Å; N888-F901 HydrophobicContact CB-CE1 3.95Å; N888-F901 HydrophobicContact CB-CE2 3.83Å; N888-F901 HydrophobicContact CB-CZ 3.63Å; N888-F901 PolarHBondContact N-O 3.18Å; N888-F901 PolarHBondContact O-N 2.81Å; N888-K903 WeakPolarHBondContact ND2-CB 3.38Å
889	L	85.9	Confident	83.9	Confident	46 Å²	46	39.1 Å²	39.1	24%	0.241	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	159.4	171.2	47	59.1	0	0	0	109.6	V898 Q899 R900 M964 N993 P994	L889-V898 HydrophobicContact CB-CG1 4.29Å; L889-Q899 CarbonylContact C-O 3.37Å; L889-Q899 WeakPolarHBondContact CA-O 3.39Å; L889-R900 HydrophobicContact CB-CG 4.39Å; L889-M964 HydrophobicContact CB-SD 4.44Å; L889-M964 HydrophobicContact CD2-CE 4.17Å; L889-M964 HydrophobicContact CD2-SD 3.91Å; L889-M964 HydrophobicContact CG-CE 4.34Å; L889-M964 HydrophobicContact CG-SD 4.28Å; L889-N993 HydrophobicContact CD1-CB 3.87Å; L889-N993 VanDerWaalsContact CD1-CG 3.43Å; L889-N993 VanDerWaalsContact CD1-OD1 3.27Å; L889-N993 WeakPolarHBondContact CD1-OD1 3.47Å; L889-P994 VanDerWaalsContact O-CD 3.23Å; L889-P994 WeakPolarHBondContact O-CD 3.03Å; L889-P994 WeakPolarHBondContact O-CG 3.47Å
890	C	84.4	Confident	83.9	Confident	6 Å²	6	39.6 Å²	39.6	4%	0.041	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	159.3	177	65.9	0	0	0	0	111.7	V898 Q899 F901 P994 C996	C890-V898 CarbonylContact O-C 3.51Å; C890-V898 VanDerWaalsContact O-CA 3.3Å; C890-V898 WeakPolarHBondContact O-CA 3.45Å; C890-Q899 PolarHBondContact N-O 3.02Å; C890-Q899 PolarHBondContact O-N 3.38Å; C890-F901 HydrophobicContact CB-CE1 4.38Å; C890-P994 CarbonylContact C-O 3.57Å; C890-P994 WeakPolarHBondContact CA-O 3.18Å; C890-P994 HydrophobicContact CB-CG 3.98Å; C890-P994 WeakPolarHBondContact CB-O 3.43Å; C890-C996 HydrophobicContact CB-CB 3.89Å; C890-C996 WeakPolarHBondContact CB-SG 3.1Å; C890-C996 PolarHBondContact O-SG 3.45Å; C890-C996 WeakPolarHBondContact SG-CA 3.04Å; C890-C996 WeakPolarHBondContact SG-CB 3.48Å; C890-C996 CovalentContact SG-SG 2.04Å; C890-C996 PolarHBondContact SG-SG 3.35Å
891	N	84.1	Confident	83.9	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	119.8	176.3	-61.5	-10.8	0	0	0	110	F893 L977 L986 E990 N993 P994 C996	N891-F893 HydrophobicContact CB-CD2 4.44Å; N891-F893 HydrophobicContact CB-CE2 3.88Å; N891-F893 HydrophobicContact CB-CZ 3.97Å; N891-L977 HydrophobicContact CB-CD1 4.07Å; N891-L986 WeakPolarHBondContact ND2-CD1 2.95Å; N891-E990 PolarHBondContact ND2-O 3.44Å; N891-N993 WeakPolarHBondContact OD1-CB 3.34Å; N891-N993 PolarHBondContact OD1-ND2 2.96Å; N891-P994 PolarHBondContact N-O 3.33Å; N891-C996 PolarHBondContact O-N 2.7Å
892	S	82.8	Confident	84	Confident	6 Å²	6	38.9 Å²	38.9	4%	0.042	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	107.5	163.6	-179.5	0	0	0	0	109.1	D895 R896 T897 C996	S892-D895 WeakPolarHBondContact CB-OD2 3.05Å; S892-D895 WeakPolarHBondContact OG-CB 3.37Å; S892-D895 VanDerWaalsContact OG-CG 3.29Å; S892-D895 PolarHBondContact OG-N 2.92Å; S892-D895 PolarHBondContact OG-OD2 3.42Å; S892-R896 WeakPolarHBondContact O-CA 3.41Å; S892-R896 PolarHBondContact O-N 3.01Å; S892-T897 PolarHBondContact N-O 2.94Å; S892-T897 PolarHBondContact O-N 2.58Å; S892-C996 PolarHBondContact N-SG 2.84Å; S892-C996 VanDerWaalsContact N-SG 3.45Å
893	F	78.4	Confident	84.2	Confident	7 Å²	7	37.2 Å²	37.2	3%	0.031	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-27.4	176.4	-62.2	-86.9	0	0	0	112.2	L522 T535 H539 Y540 N891 L977 L986	L522-F893 HydrophobicContact CD2-CB 4.31Å; T535-F893 HydrophobicContact CG2-CD1 4.2Å; T535-F893 HydrophobicContact CG2-CE1 4.07Å; H539-F893 HydrophobicContact CB-CE1 4.03Å; H539-F893 HydrophobicContact CB-CZ 3.89Å; H539-F893 WeakPolarHBondContact O-CZ 2.98Å; Y540-F893 AromaticContact CD1-CD2 3.67Å; Y540-F893 HydrophobicContact CD1-CD2 3.67Å; Y540-F893 AromaticContact CD1-CE2 3.9Å; Y540-F893 HydrophobicContact CD1-CE2 3.9Å; Y540-F893 HydrophobicContact CD1-CG 4.24Å; Y540-F893 HydrophobicContact CE1-CB 3.71Å; Y540-F893 HydrophobicContact CE1-CD1 4.24Å; Y540-F893 AromaticContact CE1-CD2 3.38Å; Y540-F893 HydrophobicContact CE1-CD2 3.38Å; Y540-F893 HydrophobicContact CE1-CE2 4.02Å; Y540-F893 AromaticContact CE1-CG 3.51Å; Y540-F893 HydrophobicContact CE1-CG 3.51Å; Y540-F893 AromaticContact CZ-CG 3.93Å; N891-F893 HydrophobicContact CB-CD2 4.44Å; N891-F893 HydrophobicContact CB-CE2 3.88Å; N891-F893 HydrophobicContact CB-CZ 3.97Å; F893-L977 HydrophobicContact CD1-CD2 4.05Å; F893-L977 HydrophobicContact CE1-CD2 4.18Å; F893-L986 HydrophobicContact CE1-CD1 4.1Å; F893-L986 HydrophobicContact CZ-CD1 4.1Å
894	S	73.9	Confident	84.6	Confident	33 Å²	33	30.6 Å²	30.6	23%	0.231	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-51.4	171.2	-61.5	0	0	0	0	111.4	T523 R896	T523-S894 PolarHBondContact N-OG 2.92Å; T523-S894 VanDerWaalsContact OG1-CB 3.32Å; T523-S894 WeakPolarHBondContact OG1-CB 3.36Å; T523-S894 PolarHBondContact OG1-OG 3.32Å; S894-R896 VanDerWaalsContact C-N 3.33Å
895	D	75.3	Confident	84.5	Confident	62 Å²	62	33.2 Å²	33.2	33%	0.332	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-4.4	-172.6	-50	-56.3	0	0	0	112.6	S892 T897 H999	S892-D895 WeakPolarHBondContact CB-OD2 3.05Å; S892-D895 WeakPolarHBondContact OG-CB 3.37Å; S892-D895 VanDerWaalsContact OG-CG 3.29Å; S892-D895 PolarHBondContact OG-N 2.92Å; S892-D895 PolarHBondContact OG-OD2 3.42Å; D895-T897 VanDerWaalsContact C-N 3.28Å; D895-T897 PolarHBondContact O-N 3.1Å; D895-H999 IonicContact OD1-CE1 3.31Å; D895-H999 PolarHBondContact OD1-CE1 3.04Å; D895-H999 IonicContact OD1-ND1 2.89Å; D895-H999 PolarHBondContact OD1-ND1 2.88Å; D895-H999 IonicContact OD2-CE1 3.42Å; D895-H999 IonicContact OD2-ND1 3.76Å; D895-H999 PolarHBondContact OD2-ND1 3.47Å
896	R	77.8	Confident	84.2	Confident	87 Å²	87	34 Å²	34	33%	0.328	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	38.9	-174.3	-44.1	-173.4	-173.5	-141.2	0.4	112.9	E292 E530 L533 S892 S894 L977	E292-R896 IonicContact OE1-CZ 2.58Å; E292-R896 IonicContact OE1-NH1 3.56Å; E292-R896 PolarHBondContact OE1-NH1 2.94Å; E530-R896 IonicContact OE2-NH2 2.77Å; L533-R896 HydrophobicContact CD1-CG 4.03Å; L533-R896 VanDerWaalsContact CD2-NH1 3.32Å; S892-R896 WeakPolarHBondContact O-CA 3.41Å; S892-R896 PolarHBondContact O-N 3.01Å; S894-R896 VanDerWaalsContact C-N 3.33Å; R896-L977 WeakPolarHBondContact O-CB 3.33Å; R896-L977 PolarHBondContact O-N 3.27Å
897	T	84.6	Confident	83.9	Confident	2 Å²	2	32 Å²	32	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148.6	-176.1	50.9	0	0	0	0	114.1	S892 D895 E974 C975	S892-T897 PolarHBondContact N-O 2.94Å; S892-T897 PolarHBondContact O-N 2.58Å; D895-T897 VanDerWaalsContact C-N 3.28Å; D895-T897 PolarHBondContact O-N 3.1Å; T897-E974 HydrophobicContact CG2-CB 4.23Å; T897-C975 CarbonylContact C-O 3.59Å; T897-C975 WeakPolarHBondContact CA-O 3.06Å; T897-C975 VanDerWaalsContact CB-O 3.22Å; T897-C975 WeakPolarHBondContact CB-O 3.38Å; T897-C975 WeakPolarHBondContact CG2-O 3.34Å
898	V	86.9	Confident	83.6	Confident	7 Å²	7	33.2 Å²	33.2	4%	0.042	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	117.7	159	-174.9	0	0	0	0	107.9	L889 C890 E974 C975 L977 E990	L889-V898 HydrophobicContact CB-CG1 4.29Å; C890-V898 CarbonylContact O-C 3.51Å; C890-V898 VanDerWaalsContact O-CA 3.3Å; C890-V898 WeakPolarHBondContact O-CA 3.45Å; V898-E974 CarbonylContact O-C 3.53Å; V898-E974 WeakPolarHBondContact O-CA 3.02Å; V898-C975 HydrophobicContact CB-CB 4.22Å; V898-C975 PolarHBondContact N-O 3.4Å; V898-C975 PolarHBondContact O-N 3.19Å; V898-L977 HydrophobicContact CG2-CD1 3.56Å; V898-E990 HydrophobicContact CG2-CG 4.23Å
899	Q	87.1	Confident	83.2	Confident	59 Å²	59	36.3 Å²	36.3	28%	0.276	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	131.7	178.9	-56.5	-177.9	-2	0	0	109.9	L889 C890 E974	L889-Q899 CarbonylContact C-O 3.37Å; L889-Q899 WeakPolarHBondContact CA-O 3.39Å; C890-Q899 PolarHBondContact N-O 3.02Å; C890-Q899 PolarHBondContact O-N 3.38Å; Q899-E974 HydrophobicContact CG-CG 4.46Å
900	R	88.1	Confident	83	Confident	16 Å²	16	35.9 Å²	35.9	6%	0.06	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	132.9	175.2	-60.2	-173.8	-177.5	-173.8	-2.6	110.3	L889 N960 C961 R963 M964 E970 P972 C973	L889-R900 HydrophobicContact CB-CG 4.39Å; R900-N960 PolarHBondContact NH1-O 3.17Å; R900-N960 PolarHBondContact NH2-O 2.87Å; R900-N960 VanDerWaalsContact NH2-O 3.08Å; R900-C961 VanDerWaalsContact NH2-C 3.31Å; R900-C961 PolarHBondContact NH2-O 3.23Å; R900-R963 PolarHBondContact NH1-O 2.84Å; R900-R963 PolarHBondContact NH2-O 2.89Å; R900-M964 HydrophobicContact CG-SD 4.16Å; R900-E970 WeakPolarHBondContact CD-OE2 3.4Å; R900-E970 IonicContact CZ-OE2 2.72Å; R900-E970 IonicContact NE-OE2 4Å; R900-E970 IonicContact NH1-OE1 2.63Å; R900-E970 IonicContact NH1-OE2 3.18Å; R900-E970 PolarHBondContact NH1-OE2 3.35Å; R900-P972 WeakPolarHBondContact O-CA 3.26Å; R900-C973 PolarHBondContact N-O 3.47Å; R900-C973 PolarHBondContact O-N 3.03Å
901	F	87.6	Confident	83.1	Confident	50 Å²	50	38.5 Å²	38.5	22%	0.219	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	162	-178.6	66.2	-82.2	0	0	0	112.6	N888 C890	N888-F901 HydrophobicContact CB-CD1 4.42Å; N888-F901 HydrophobicContact CB-CD2 4.31Å; N888-F901 HydrophobicContact CB-CE1 3.95Å; N888-F901 HydrophobicContact CB-CE2 3.83Å; N888-F901 HydrophobicContact CB-CZ 3.63Å; N888-F901 PolarHBondContact N-O 3.18Å; N888-F901 PolarHBondContact O-N 2.81Å; C890-F901 HydrophobicContact CB-CE1 4.38Å
902	Y	88.2	Confident	83.2	Confident	6 Å²	6	39.4 Å²	39.4	2%	0.024	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	152.1	180	-67.6	-85.3	0	0	0	111.7	H866 T868 L879 V885 K887 E970 P972	H866-Y902 AromaticContact CE1-CD2 3.25Å; H866-Y902 WeakPolarHBondContact CE1-CD2 3.21Å; H866-Y902 AromaticContact CE1-CE2 3.68Å; H866-Y902 AromaticContact CE1-CG 3.97Å; H866-Y902 AromaticContact NE2-CD2 3.53Å; T868-Y902 HydrophobicContact CG2-CE2 4.03Å; L879-Y902 HydrophobicContact CD1-CE1 4.5Å; L879-Y902 HydrophobicContact CD2-CD1 4.17Å; L879-Y902 HydrophobicContact CD2-CE1 3.58Å; V885-Y902 HydrophobicContact CG1-CD1 3.7Å; V885-Y902 HydrophobicContact CG1-CE1 4.46Å; K887-Y902 HydrophobicContact CD-CE1 4.22Å; K887-Y902 WeakPolarHBondContact CE-OH 3.38Å; K887-Y902 HydrophobicContact CG-CD1 4.03Å; K887-Y902 HydrophobicContact CG-CE1 3.58Å; Y902-E970 WeakPolarHBondContact OH-CG 3.35Å; Y902-E970 PolarHBondContact OH-N 3.05Å; Y902-E970 PolarHBondContact OH-O 3.39Å; Y902-P972 HydrophobicContact CD2-CG 4.2Å; Y902-P972 HydrophobicContact CE2-CG 4.49Å
903	K	87.3	Confident	83.4	Confident	64 Å²	64	42.2 Å²	42.2	28%	0.278	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	127	164.7	-168.5	160.4	-169.7	161.1	0	110.4	D843 K886 N888	D843-K903 WeakPolarHBondContact O-CA 3.49Å; K886-K903 PolarHBondContact N-O 2.85Å; K886-K903 PolarHBondContact O-N 3.34Å; N888-K903 WeakPolarHBondContact ND2-CB 3.38Å
904	F	89.2	Confident	83.6	Confident	9 Å²	9	43.2 Å²	43.2	4%	0.039	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	145.2	-176.7	-67.4	-105.6	0	0	0	110.2	M841 D843 G845 I867 I878 F884 V885 T906 F935	M841-F904 HydrophobicContact CE-CD1 3.55Å; M841-F904 HydrophobicContact CE-CE1 3.62Å; M841-F904 HydrophobicContact CE-CG 4.18Å; M841-F904 HydrophobicContact CE-CZ 4.31Å; M841-F904 HydrophobicContact SD-CE1 4.38Å; D843-F904 PolarHBondContact O-N 2.91Å; G845-F904 VanDerWaalsContact CA-CE2 3.42Å; I867-F904 HydrophobicContact CG2-CZ 4Å; I878-F904 HydrophobicContact CG2-CE1 4.03Å; F884-F904 AromaticContact CE1-CD1 3.79Å; F884-F904 HydrophobicContact CE1-CD1 3.79Å; F884-F904 HydrophobicContact CE1-CE1 4.3Å; F884-F904 AromaticContact CZ-CD1 3.8Å; F884-F904 HydrophobicContact CZ-CD1 3.8Å; V885-F904 HydrophobicContact CG1-CE1 4.38Å; V885-F904 HydrophobicContact CG1-CZ 4.33Å; V885-F904 HydrophobicContact CG2-CD1 3.52Å; V885-F904 HydrophobicContact CG2-CE1 3.48Å; V885-F904 VanDerWaalsContact CG2-CE1 3.48Å; V885-F904 HydrophobicContact CG2-CG 4.3Å; V885-F904 HydrophobicContact CG2-CZ 4.22Å; F904-T906 PolarHBondContact O-N 3.24Å; F904-T906 VanDerWaalsContact O-N 3.16Å; F904-F935 HydrophobicContact CB-CE2 3.8Å; F904-F935 HydrophobicContact CB-CZ 4.07Å
905	N	85.7	Confident	83.4	Confident	63 Å²	63	45.4 Å²	45.4	34%	0.337	26%	0.259	S	S	.	.			trans	-82.4	96.9	-172.8	-171.7	-7.8	0	0	0	111.8	N883 F884 S907 L908	N883-N905 WeakPolarHBondContact O-CB 3.07Å; N883-N905 PolarHBondContact O-ND2 3.18Å; F884-N905 HydrophobicContact CD2-CB 4.14Å; F884-N905 VanDerWaalsContact O-CB 3.25Å; F884-N905 WeakPolarHBondContact O-CB 3.35Å; F884-N905 PolarHBondContact O-N 2.99Å; N905-S907 PolarHBondContact O-N 3.16Å; N905-S907 WeakPolarHBondContact OD1-CB 3.14Å; N905-S907 PolarHBondContact OD1-N 3.22Å; N905-L908 WeakPolarHBondContact O-CB 3.39Å; N905-L908 PolarHBondContact O-N 2.97Å; N905-L908 VanDerWaalsContact O-N 3.11Å
906	T	82.1	Confident	82.7	Confident	25 Å²	25	45.8 Å²	45.8	15%	0.153	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	1.3	176.8	56.1	0	0	0	0	114.3	D843 F904 R928 F935	D843-T906 HydrophobicContact CB-CG2 3.64Å; F904-T906 PolarHBondContact O-N 3.24Å; F904-T906 VanDerWaalsContact O-N 3.16Å; T906-R928 VanDerWaalsContact O-CD 3.23Å; T906-R928 WeakPolarHBondContact O-CD 3.36Å; T906-R928 PolarHBondContact O-NE 3.03Å; T906-R928 PolarHBondContact O-NH1 3Å; T906-F935 HydrophobicContact CG2-CE2 4.08Å; T906-F935 HydrophobicContact CG2-CZ 4.06Å
907	S	80.9	Confident	81.4	Confident	80 Å²	80	50.3 Å²	50.3	56%	0.559	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	9.5	168.9	-58	0	0	0	0	113.9	N905	N905-S907 PolarHBondContact O-N 3.16Å; N905-S907 WeakPolarHBondContact OD1-CB 3.14Å; N905-S907 PolarHBondContact OD1-N 3.22Å
908	L	81.2	Confident	79.8	Confident	38 Å²	38	52.3 Å²	52.3	20%	0.199	31%	0.308	C	S	.	.			trans	-53.1	136.3	171.1	-178.4	70.2	0	0	0	111.8	F884 N905 L912 F935	F884-L908 HydrophobicContact CD2-CD1 4.4Å; F884-L908 HydrophobicContact CD2-CD2 4.43Å; F884-L908 HydrophobicContact CE2-CB 4.41Å; F884-L908 HydrophobicContact CE2-CD2 3.96Å; N905-L908 WeakPolarHBondContact O-CB 3.39Å; N905-L908 PolarHBondContact O-N 2.97Å; N905-L908 VanDerWaalsContact O-N 3.11Å; L908-L912 HydrophobicContact CD1-CD1 3.96Å; L908-L912 HydrophobicContact CD1-CD2 4.13Å; L908-L912 HydrophobicContact CD1-CG 3.88Å; L908-L912 HydrophobicContact CD2-CD1 3.54Å; L908-L912 HydrophobicContact CD2-CG 3.87Å; L908-L912 HydrophobicContact CG-CD1 4.41Å; L908-F935 HydrophobicContact CB-CE1 4.48Å; L908-F935 HydrophobicContact CD2-CE1 4.28Å
909	A	75.3	Confident	78.2	Confident	95 Å²	95	58.1 Å²	58.1	79%	0.785	35%	0.349	S	S	*	.			trans	-129.4	136.8	171.8	0	0	0	0	0	109.4
910	G	83.1	Confident	77	Confident	38 Å²	38	59.4 Å²	59.4	39%	0.392	36%	0.355	S	S	.	.	S	Bend	trans	81	-179.7	-164.5	0	0	0	0	0	112.4
911	D	84.9	Confident	76.3	Confident	61 Å²	61	59.4 Å²	59.4	33%	0.326	36%	0.358	S	S	.	.			trans	-97.9	149.7	174.5	62.9	-46.1	0	0	0	111.9	I41 L42 L926	I41-D911 HydrophobicContact CG2-CB 3.48Å; I41-D911 VanDerWaalsContact CG2-CB 3.48Å; L42-D911 HydrophobicContact CD2-CB 4.32Å; L42-D911 HydrophobicContact CG-CB 4.46Å; D911-L926 WeakPolarHBondContact CA-O 3.19Å
912	L	86.5	Confident	75.7	Confident	19 Å²	19	57.2 Å²	57.2	10%	0.099	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	132.1	170.3	-70.1	161.5	0	0	0	108.9	H881 F884 L908 R925 L926	H881-L912 WeakPolarHBondContact ND1-CD2 3.26Å; F884-L912 HydrophobicContact CB-CD1 4.47Å; F884-L912 HydrophobicContact CD1-CD1 3.4Å; F884-L912 VanDerWaalsContact CD1-CD1 3.4Å; F884-L912 HydrophobicContact CD2-CD1 3.62Å; F884-L912 HydrophobicContact CE1-CD1 3.38Å; F884-L912 HydrophobicContact CE2-CD1 3.61Å; F884-L912 HydrophobicContact CG-CD1 3.54Å; F884-L912 HydrophobicContact CZ-CD1 3.5Å; F884-L912 VanDerWaalsContact CZ-CD1 3.5Å; L908-L912 HydrophobicContact CD1-CD1 3.96Å; L908-L912 HydrophobicContact CD1-CD2 4.13Å; L908-L912 HydrophobicContact CD1-CG 3.88Å; L908-L912 HydrophobicContact CD2-CD1 3.54Å; L908-L912 HydrophobicContact CD2-CG 3.87Å; L908-L912 HydrophobicContact CG-CD1 4.41Å; L912-R925 CarbonylContact O-C 3.58Å; L912-R925 VanDerWaalsContact O-CA 3.29Å; L912-R925 WeakPolarHBondContact O-CA 3.15Å; L912-L926 HydrophobicContact CB-CB 4.31Å; L912-L926 HydrophobicContact CD1-CD2 4.21Å; L912-L926 PolarHBondContact N-O 3.27Å; L912-L926 PolarHBondContact O-N 3.42Å
913	T	86.4	Confident	75.5	Confident	65 Å²	65	64.2 Å²	64.2	40%	0.399	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	163.4	174.6	65.6	0	0	0	0	108.9	H881 L915 R925	H881-T913 PolarHBondContact CE1-O 3.41Å; H881-T913 PolarHBondContact NE2-O 3.35Å; T913-L915 PolarHBondContact O-N 3.07Å; T913-R925 HydrophobicContact CG2-CB 4.46Å; T913-R925 HydrophobicContact CG2-CG 3.87Å
914	N	82.4	Confident	75.5	Confident	29 Å²	29	61.4 Å²	61.4	16%	0.155	37%	0.367	C	S	.	.			trans	-46.3	121.9	-172	-63.4	76	0	0	0	113.5	D877 S922 K923 Y924	D877-N914 WeakPolarHBondContact OD2-CA 3.47Å; N914-S922 PolarHBondContact ND2-O 3.12Å; N914-K923 WeakPolarHBondContact OD1-CA 3.19Å; N914-Y924 HydrophobicContact CB-CE1 4.41Å; N914-Y924 PolarHBondContact OD1-N 3.17Å
915	L	71	Confident	75.6	Confident	79 Å²	79	65.7 Å²	65.7	41%	0.414	38%	0.382	S	S	.	.	S	Bend	trans	-75.2	-52.4	-180	-170.5	69.7	0	0	0	110.8	D877 N880 T913 H917	D877-L915 PolarHBondContact OD2-N 3.28Å; N880-L915 HydrophobicContact CB-CD2 4.05Å; N880-L915 WeakPolarHBondContact O-CD2 3.23Å; T913-L915 PolarHBondContact O-N 3.07Å; L915-H917 PolarHBondContact O-N 3.42Å; L915-H917 PolarHBondContact O-ND1 3.16Å
916	V	61	Low	75.8	Confident	70 Å²	70	62.7 Å²	62.7	42%	0.424	37%	0.367	S	S	.	.	S	Bend	trans	-79.4	111.2	-176.2	-176.9	0	0	0	0	109.9	D877 G918 H920	D877-V916 PolarHBondContact OD1-N 3.34Å; V916-G918 PolarHBondContact O-N 3.02Å; V916-H920 PolarHBondContact O-CD2 3.46Å
917	H	50	Low	76.4	Confident	181 Å²	181	61.5 Å²	61.5	84%	0.838	36%	0.359	S	S	*	.			trans	-79	45.3	178.7	-74.4	47.4	0	0	0	112.6	L915	L915-H917 PolarHBondContact O-N 3.42Å; L915-H917 PolarHBondContact O-ND1 3.16Å
918	G	51.7	Low	76.9	Confident	44 Å²	44	60.5 Å²	60.5	45%	0.454	34%	0.343	S	S	.	.	S	Bend	trans	-88.5	175.7	168.3	0	0	0	0	0	112.4	V916 H920	V916-G918 PolarHBondContact O-N 3.02Å; G918-H920 PolarHBondContact O-CD2 3.02Å; G918-H920 PolarHBondContact O-N 2.9Å
919	S	53.2	Low	77.5	Confident	129 Å²	129	58.7 Å²	58.7	90%	0.902	33%	0.334	S	S	*	.			trans	-75.9	58.5	-179.6	45.6	0	0	0	0	113.4
920	H	61.8	Low	78.3	Confident	87 Å²	87	56.5 Å²	56.5	40%	0.403	31%	0.311	S	S	.	.			trans	-80.8	129.6	-179.6	-61.7	-72.4	0	0	0	112.3	V916 G918 S922	V916-H920 PolarHBondContact O-CD2 3.46Å; G918-H920 PolarHBondContact O-CD2 3.02Å; G918-H920 PolarHBondContact O-N 2.9Å; H920-S922 PolarHBondContact O-N 2.79Å
921	C	71.9	Confident	78.6	Confident	16 Å²	16	56.1 Å²	56.1	11%	0.108	31%	0.307	C	S	.	.	S	Bend	trans	-64.8	-17.2	177.7	-68.2	0	0	0	0	114.4	E941 T942 C943	C921-E941 CarbonylContact O-C 3.53Å; C921-E941 WeakPolarHBondContact O-CA 3.37Å; C921-T942 PolarHBondContact O-N 3.19Å; C921-T942 PolarHBondContact O-OG1 3.25Å; C921-C943 VanDerWaalsContact CA-SG 3.58Å; C921-C943 HydrophobicContact CB-CB 3.99Å; C921-C943 WeakPolarHBondContact CB-O 3.28Å; C921-C943 WeakPolarHBondContact CB-SG 3.41Å; C921-C943 WeakPolarHBondContact SG-CB 3.36Å; C921-C943 PolarHBondContact SG-O 2.97Å; C921-C943 CovalentContact SG-SG 2.04Å; C921-C943 PolarHBondContact SG-SG 3.41Å
922	S	75.4	Confident	79	Confident	4 Å²	4	53.2 Å²	53.2	3%	0.028	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	107.4	-175.7	60	0	0	0	0	111.3	L873 N914 H920	L873-S922 WeakPolarHBondContact CB-OG 3.32Å; N914-S922 PolarHBondContact ND2-O 3.12Å; H920-S922 PolarHBondContact O-N 2.79Å
923	K	84.2	Confident	79.2	Confident	152 Å²	152	52.3 Å²	52.3	66%	0.661	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	124.3	167.1	-69.5	-176.8	178.9	-179.1	0	108.6	N914 N940	N914-K923 WeakPolarHBondContact OD1-CA 3.19Å; K923-N940 PolarHBondContact N-O 2.83Å; K923-N940 PolarHBondContact O-N 3.09Å
924	Y	88.4	Confident	79.5	Confident	6 Å²	6	49.2 Å²	49.2	2%	0.024	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	155.3	176.3	74.1	-89.4	0	0	0	112.4	V874 D877 I878 H881 N914 L926 I938	V874-Y924 HydrophobicContact CB-CD1 4.37Å; V874-Y924 HydrophobicContact CG1-CD1 3.91Å; V874-Y924 HydrophobicContact CG1-CD2 3.98Å; V874-Y924 HydrophobicContact CG1-CE1 4.27Å; V874-Y924 HydrophobicContact CG1-CE2 4.35Å; V874-Y924 HydrophobicContact CG1-CG 3.75Å; V874-Y924 HydrophobicContact CG2-CD1 4.18Å; V874-Y924 HydrophobicContact CG2-CG 4.28Å; D877-Y924 HydrophobicContact CB-CE1 3.98Å; D877-Y924 WeakPolarHBondContact OD2-CE1 3.23Å; D877-Y924 PolarHBondContact OD2-OH 2.78Å; I878-Y924 HydrophobicContact CD1-CE2 4.28Å; I878-Y924 HydrophobicContact CG1-CE2 3.91Å; H881-Y924 PolarHBondContact CD2-OH 3.36Å; H881-Y924 PolarHBondContact NE2-OH 3.46Å; N914-Y924 HydrophobicContact CB-CE1 4.41Å; N914-Y924 PolarHBondContact OD1-N 3.17Å; Y924-L926 HydrophobicContact CD2-CB 4.36Å; Y924-I938 CarbonylContact C-O 3.54Å; Y924-I938 VanDerWaalsContact CA-O 3.24Å; Y924-I938 WeakPolarHBondContact CA-O 3.45Å
925	R	89.8	Confident	80.1	Confident	98 Å²	98	47.9 Å²	47.9	37%	0.37	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	139.8	160.6	-55.4	-157	-177.1	162.2	2.7	109.4	F39 I41 L912 T913 G937 I938	F39-R925 PolarHBondContact O-NH1 3.36Å; I41-R925 HydrophobicContact CB-CB 4.45Å; I41-R925 HydrophobicContact CD1-CB 3.76Å; I41-R925 VanDerWaalsContact CD1-O 3.3Å; I41-R925 WeakPolarHBondContact CD1-O 3.27Å; I41-R925 HydrophobicContact CG2-CB 4.11Å; L912-R925 CarbonylContact O-C 3.58Å; L912-R925 VanDerWaalsContact O-CA 3.29Å; L912-R925 WeakPolarHBondContact O-CA 3.15Å; T913-R925 HydrophobicContact CG2-CB 4.46Å; T913-R925 HydrophobicContact CG2-CG 3.87Å; R925-G937 WeakPolarHBondContact O-CA 3.45Å; R925-I938 PolarHBondContact N-O 3.19Å; R925-I938 PolarHBondContact O-N 3.46Å
926	L	91.6	Very high	81.2	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	127.6	180	-176.1	80.2	0	0	0	110.1	F839 M841 I878 F884 D911 L912 Y924 F935 V936	F839-L926 HydrophobicContact CE2-CD1 3.99Å; F839-L926 HydrophobicContact CZ-CD1 4.04Å; M841-L926 HydrophobicContact CE-CD1 4.11Å; M841-L926 HydrophobicContact CE-CD2 3.91Å; I878-L926 HydrophobicContact CD1-CD2 3.89Å; F884-L926 HydrophobicContact CE1-CD2 3.66Å; F884-L926 HydrophobicContact CZ-CD2 3.58Å; D911-L926 WeakPolarHBondContact CA-O 3.19Å; L912-L926 HydrophobicContact CB-CB 4.31Å; L912-L926 HydrophobicContact CD1-CD2 4.21Å; L912-L926 PolarHBondContact N-O 3.27Å; L912-L926 PolarHBondContact O-N 3.42Å; Y924-L926 HydrophobicContact CD2-CB 4.36Å; L926-F935 HydrophobicContact CD1-CB 4.06Å; L926-F935 HydrophobicContact CG-CB 4.44Å; L926-V936 WeakPolarHBondContact CA-O 3.44Å; L926-V936 WeakPolarHBondContact CD1-O 3.17Å
927	A	92.9	Very high	82.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.6	177.8	0	0	0	0	0	111.4	I41 L42 A45 F935 V936	I41-A927 HydrophobicContact CD1-CB 4.34Å; I41-A927 HydrophobicContact CG1-CB 4.04Å; I41-A927 HydrophobicContact CG2-CB 4.15Å; L42-A927 HydrophobicContact CD2-CB 4.14Å; A45-A927 HydrophobicContact CB-CB 4.06Å; A927-F935 CarbonylContact O-C 3.54Å; A927-F935 VanDerWaalsContact O-CA 3.27Å; A927-F935 WeakPolarHBondContact O-CA 3.4Å; A927-V936 HydrophobicContact CB-CG1 4.3Å; A927-V936 PolarHBondContact N-O 3.26Å; A927-V936 PolarHBondContact O-N 3.14Å
928	R	92.9	Very high	84.6	Confident	59 Å²	59	32.8 Å²	32.8	22%	0.223	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	135.7	169.4	-173.8	-158.4	171.4	-173.8	-3.1	109.5	T906 P930 T932 F935	T906-R928 VanDerWaalsContact O-CD 3.23Å; T906-R928 WeakPolarHBondContact O-CD 3.36Å; T906-R928 PolarHBondContact O-NE 3.03Å; T906-R928 PolarHBondContact O-NH1 3Å; R928-P930 VanDerWaalsContact O-CD 3.23Å; R928-P930 WeakPolarHBondContact O-CD 3.27Å; R928-T932 PolarHBondContact NE-O 2.92Å; R928-T932 VanDerWaalsContact NE-O 3.16Å; R928-T932 PolarHBondContact NH2-O 2.87Å; R928-F935 HydrophobicContact CB-CD1 3.93Å; R928-F935 HydrophobicContact CB-CE1 3.92Å; R928-F935 HydrophobicContact CG-CD1 4.38Å; R928-F935 HydrophobicContact CG-CE1 4.2Å
929	I	93.5	Very high	86.3	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.			trans	-77.2	112.2	171	-59.1	172.3	0	0	0	108.7	L48 A49 I840 T932 A934 V936	L48-I929 HydrophobicContact CB-CD1 4.34Å; L48-I929 HydrophobicContact CB-CG1 4.44Å; L48-I929 HydrophobicContact CB-CG2 4.14Å; L48-I929 HydrophobicContact CD1-CD1 4.17Å; L48-I929 HydrophobicContact CD1-CG1 4.48Å; A49-I929 HydrophobicContact CB-CG2 3.84Å; I840-I929 HydrophobicContact CG2-CD1 4.07Å; I929-T932 HydrophobicContact CB-CG2 4.36Å; I929-T932 WeakPolarHBondContact CB-OG1 3.42Å; I929-T932 HydrophobicContact CG2-CG2 3.81Å; I929-T932 PolarHBondContact O-N 2.85Å; I929-T932 PolarHBondContact O-OG1 2.63Å; I929-A934 HydrophobicContact CD1-CB 4.22Å; I929-A934 PolarHBondContact N-O 3.19Å; I929-V936 HydrophobicContact CD1-CB 4.18Å; I929-V936 HydrophobicContact CG1-CB 4.07Å; I929-V936 HydrophobicContact CG1-CG1 4.06Å
930	P	92.4	Very high	87.9	Confident	48 Å²	48	27.8 Å²	27.8	31%	0.312	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	137.6	-171.2	-29.2	37.8	0	0	0	114.7	A45 A49 R928 T932	A45-P930 WeakPolarHBondContact O-CD 3.41Å; A49-P930 HydrophobicContact CB-CB 4.13Å; A49-P930 HydrophobicContact CB-CG 4.4Å; A49-P930 WeakPolarHBondContact CB-O 2.98Å; R928-P930 VanDerWaalsContact O-CD 3.23Å; R928-P930 WeakPolarHBondContact O-CD 3.27Å; P930-T932 VanDerWaalsContact C-N 3.27Å; P930-T932 PolarHBondContact O-N 2.86Å
931	G	89.3	Confident	88.6	Confident	30 Å²	30	25.6 Å²	25.6	31%	0.309	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	5.5	-178.4	0	0	0	0	0	115.3	I770	I770-G931 PolarHBondContact N-O 3.05Å
932	T	92.3	Very high	88.8	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.006	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-121.1	174.3	177.7	79.9	0	0	0	0	112.3	M52 I770 L772 R928 I929 P930 A934	M52-T932 HydrophobicContact CB-CG2 4.2Å; M52-T932 HydrophobicContact CG-CG2 4.35Å; I770-T932 HydrophobicContact CB-CG2 4.25Å; I770-T932 WeakPolarHBondContact O-CA 3.45Å; I770-T932 WeakPolarHBondContact O-CB 3.41Å; L772-T932 HydrophobicContact CD1-CG2 4.27Å; R928-T932 PolarHBondContact NE-O 2.92Å; R928-T932 VanDerWaalsContact NE-O 3.16Å; R928-T932 PolarHBondContact NH2-O 2.87Å; I929-T932 HydrophobicContact CB-CG2 4.36Å; I929-T932 WeakPolarHBondContact CB-OG1 3.42Å; I929-T932 HydrophobicContact CG2-CG2 3.81Å; I929-T932 PolarHBondContact O-N 2.85Å; I929-T932 PolarHBondContact O-OG1 2.63Å; P930-T932 VanDerWaalsContact C-N 3.27Å; P930-T932 PolarHBondContact O-N 2.86Å; T932-A934 PolarHBondContact OG1-N 2.92Å; T932-A934 PolarHBondContact OG1-O 3.37Å
933	N	91.1	Very high	88.6	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-85.5	-3.8	164.1	70.6	-39.9	0	0	0	113.8	I770 S771 L772 D843	I770-N933 PolarHBondContact O-N 2.82Å; S771-N933 WeakPolarHBondContact CA-OD1 3.37Å; L772-N933 PolarHBondContact N-OD1 3.17Å; L772-N933 PolarHBondContact O-ND2 3.34Å; L772-N933 VanDerWaalsContact O-ND2 3.07Å; D843-N933 HydrophobicContact CB-CB 4.39Å; D843-N933 PolarHBondContact N-O 3.44Å; D843-N933 PolarHBondContact OD1-ND2 3.09Å
934	A	93.3	Very high	87.7	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.182	C	C	.	.			trans	-97.6	161.3	-168.6	0	0	0	0	0	114.2	L772 I840 M841 I929 T932	L772-A934 HydrophobicContact CB-CB 4.48Å; L772-A934 HydrophobicContact CD1-CB 4.18Å; L772-A934 HydrophobicContact CD2-CB 4.04Å; L772-A934 HydrophobicContact CG-CB 4.47Å; I840-A934 HydrophobicContact CG2-CB 4.24Å; M841-A934 CarbonylContact O-C 3.53Å; M841-A934 VanDerWaalsContact O-CA 3.26Å; M841-A934 WeakPolarHBondContact O-CA 3.3Å; M841-A934 WeakPolarHBondContact O-CB 3.5Å; I929-A934 HydrophobicContact CD1-CB 4.22Å; I929-A934 PolarHBondContact N-O 3.19Å; T932-A934 PolarHBondContact OG1-N 2.92Å; T932-A934 PolarHBondContact OG1-O 3.37Å
935	F	94	Very high	86.6	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145.4	176.5	-57.7	-96.7	0	0	0	110.2	I840 M841 F884 F904 T906 L908 L926 A927 R928	I840-F935 VanDerWaalsContact CA-O 3.32Å; I840-F935 WeakPolarHBondContact CA-O 3.33Å; M841-F935 HydrophobicContact CE-CB 4Å; M841-F935 HydrophobicContact CE-CD2 4.01Å; M841-F935 HydrophobicContact CE-CG 4.06Å; M841-F935 HydrophobicContact CG-CB 4.06Å; M841-F935 HydrophobicContact CG-CD2 4.46Å; M841-F935 PolarHBondContact N-O 3.25Å; M841-F935 PolarHBondContact O-N 3.03Å; F884-F935 HydrophobicContact CE2-CD1 4.48Å; F884-F935 AromaticContact CE2-CE1 3.76Å; F884-F935 HydrophobicContact CE2-CE1 3.76Å; F884-F935 HydrophobicContact CE2-CZ 4.11Å; F884-F935 HydrophobicContact CZ-CD1 4.37Å; F884-F935 HydrophobicContact CZ-CE1 4.05Å; F884-F935 HydrophobicContact CZ-CZ 4.43Å; F904-F935 HydrophobicContact CB-CE2 3.8Å; F904-F935 HydrophobicContact CB-CZ 4.07Å; T906-F935 HydrophobicContact CG2-CE2 4.08Å; T906-F935 HydrophobicContact CG2-CZ 4.06Å; L908-F935 HydrophobicContact CB-CE1 4.48Å; L908-F935 HydrophobicContact CD2-CE1 4.28Å; L926-F935 HydrophobicContact CD1-CB 4.06Å; L926-F935 HydrophobicContact CG-CB 4.44Å; A927-F935 CarbonylContact O-C 3.54Å; A927-F935 VanDerWaalsContact O-CA 3.27Å; A927-F935 WeakPolarHBondContact O-CA 3.4Å; R928-F935 HydrophobicContact CB-CD1 3.93Å; R928-F935 HydrophobicContact CB-CE1 3.92Å; R928-F935 HydrophobicContact CG-CD1 4.38Å; R928-F935 HydrophobicContact CG-CE1 4.2Å
936	V	93.8	Very high	85.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	131.8	168.7	58.2	0	0	0	0	109.1	I41 A45 L48 L821 L825 F839 L926 A927 I929	I41-V936 HydrophobicContact CG1-CG1 4.36Å; A45-V936 HydrophobicContact CB-CG1 3.75Å; L48-V936 HydrophobicContact CD1-CB 3.78Å; L48-V936 HydrophobicContact CD1-CG1 4.15Å; L48-V936 HydrophobicContact CD1-CG2 3.65Å; L821-V936 HydrophobicContact CD1-CG2 4.29Å; L825-V936 HydrophobicContact CD2-CG2 4.15Å; F839-V936 WeakPolarHBondContact O-CA 3.16Å; L926-V936 WeakPolarHBondContact CA-O 3.44Å; L926-V936 WeakPolarHBondContact CD1-O 3.17Å; A927-V936 HydrophobicContact CB-CG1 4.3Å; A927-V936 PolarHBondContact N-O 3.26Å; A927-V936 PolarHBondContact O-N 3.14Å; I929-V936 HydrophobicContact CD1-CB 4.18Å; I929-V936 HydrophobicContact CG1-CB 4.07Å; I929-V936 HydrophobicContact CG1-CG1 4.06Å
937	G	92.3	Very high	84.3	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	143.6	179.1	0	0	0	0	0	111.9	C838 F839 R925	C838-G937 CarbonylContact C-O 3.56Å; C838-G937 WeakPolarHBondContact CA-O 3.39Å; F839-G937 PolarHBondContact N-O 3.05Å; F839-G937 PolarHBondContact O-N 2.9Å; R925-G937 WeakPolarHBondContact O-CA 3.45Å
938	I	90.1	Very high	83.3	Confident	14 Å²	14	48.5 Å²	48.5	7%	0.072	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	123.9	177.1	-57.3	176	0	0	0	107.4	F39 I41 L825 I836 Y924 R925	F39-I938 HydrophobicContact CE1-CD1 3.7Å; F39-I938 HydrophobicContact CZ-CD1 3.47Å; F39-I938 VanDerWaalsContact CZ-CD1 3.47Å; I41-I938 HydrophobicContact CD1-CB 4.42Å; I41-I938 HydrophobicContact CD1-CD1 4.01Å; I41-I938 HydrophobicContact CD1-CG1 4.03Å; I41-I938 HydrophobicContact CG1-CD1 4.15Å; L825-I938 HydrophobicContact CD2-CD1 4.15Å; I836-I938 HydrophobicContact CG2-CG2 3.75Å; Y924-I938 CarbonylContact C-O 3.54Å; Y924-I938 VanDerWaalsContact CA-O 3.24Å; Y924-I938 WeakPolarHBondContact CA-O 3.45Å; R925-I938 PolarHBondContact N-O 3.19Å; R925-I938 PolarHBondContact O-N 3.46Å
939	V	88.4	Confident	82.9	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.5	-178.1	-168.2	0	0	0	0	108.1	I836 R837 F839 V874	I836-V939 CarbonylContact C-O 3.6Å; I836-V939 VanDerWaalsContact CA-O 3.29Å; I836-V939 WeakPolarHBondContact CA-O 3.45Å; R837-V939 HydrophobicContact CB-CB 4.45Å; R837-V939 PolarHBondContact N-O 3.19Å; R837-V939 PolarHBondContact O-N 2.91Å; F839-V939 HydrophobicContact CD1-CG2 4.29Å; F839-V939 HydrophobicContact CE1-CG2 3.78Å; V874-V939 HydrophobicContact CG2-CB 4.49Å; V874-V939 HydrophobicContact CG2-CG1 3.81Å; V874-V939 HydrophobicContact CG2-CG2 3.8Å
940	N	86	Confident	82.3	Confident	68 Å²	68	48 Å²	48	36%	0.364	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	113	173.5	-177	-12.2	0	0	0	108.2	I836 K923	I836-N940 HydrophobicContact CG1-CB 4.4Å; K923-N940 PolarHBondContact N-O 2.83Å; K923-N940 PolarHBondContact O-N 3.09Å
941	E	77.6	Confident	81.4	Confident	40 Å²	40	46.3 Å²	46.3	19%	0.187	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.6	-175.5	-171.4	167.4	-118.5	0	0	111.9	K835 R837 C921	K835-E941 PolarHBondContact O-N 3.2Å; R837-E941 IonicContact CZ-OE2 3.5Å; R837-E941 IonicContact NE-OE2 2.68Å; R837-E941 IonicContact NH2-OE1 2.62Å; R837-E941 PolarHBondContact NH2-OE1 2.81Å; R837-E941 IonicContact NH2-OE2 3.63Å; R837-E941 PolarHBondContact NH2-OE2 2.03Å; C921-E941 CarbonylContact O-C 3.53Å; C921-E941 WeakPolarHBondContact O-CA 3.37Å
942	T	75.8	Confident	80.7	Confident	105 Å²	105	46.6 Å²	46.6	64%	0.644	27%	0.267	S	S	*	.			trans	-115.8	-10.8	-173.7	60.7	0	0	0	0	114	C921	C921-T942 PolarHBondContact O-N 3.19Å; C921-T942 PolarHBondContact O-OG1 3.25Å
943	C	72.3	Confident	79.4	Confident	61 Å²	61	52.8 Å²	52.8	41%	0.412	30%	0.298	S	S	.	.	S	Bend	trans	-157.8	147.7	174.7	34.9	0	0	0	0	113	C921 S945	C921-C943 VanDerWaalsContact CA-SG 3.58Å; C921-C943 HydrophobicContact CB-CB 3.99Å; C921-C943 WeakPolarHBondContact CB-O 3.28Å; C921-C943 WeakPolarHBondContact CB-SG 3.41Å; C921-C943 WeakPolarHBondContact SG-CB 3.36Å; C921-C943 PolarHBondContact SG-O 2.97Å; C921-C943 CovalentContact SG-SG 2.04Å; C921-C943 PolarHBondContact SG-SG 3.41Å; C943-S945 PolarHBondContact O-N 3.48Å; C943-S945 VanDerWaalsContact O-N 3.1Å
944	D	64.3	Low	78.2	Confident	168 Å²	168	59.4 Å²	59.4	90%	0.898	34%	0.337	S	S	*	.			trans	-68.3	103.5	177.4	-62.2	-42.3	0	0	0	110.6
945	S	65.2	Low	77.2	Confident	56 Å²	56	63 Å²	63	39%	0.392	36%	0.357	S	S	.	.			trans	-125.6	121.8	179.8	-173.6	0	0	0	0	112.4	C943 A947	C943-S945 PolarHBondContact O-N 3.48Å; C943-S945 VanDerWaalsContact O-N 3.1Å; S945-A947 PolarHBondContact O-N 2.92Å
946	L	64.3	Low	76.4	Confident	180 Å²	180	68.3 Å²	68.3	94%	0.942	38%	0.377	S	S	*	.			trans	-86.7	83.1	-176.8	-66.6	174.1	0	0	0	111.5
947	A	69.3	Low	76	Confident	35 Å²	35	71.3 Å²	71.3	29%	0.289	39%	0.392	S	S	.	.			trans	-79.7	140.9	159.1	0	0	0	0	0	110.6	P872 L873 S945	P872-A947 HydrophobicContact CB-CB 4.23Å; P872-A947 HydrophobicContact CG-CB 4.41Å; P872-A947 WeakPolarHBondContact CG-O 3.06Å; L873-A947 HydrophobicContact CB-CB 4.48Å; L873-A947 HydrophobicContact CD2-CB 3.6Å; L873-A947 HydrophobicContact CG-CB 3.72Å; S945-A947 PolarHBondContact O-N 2.92Å
948	F	72.3	Confident	75.7	Confident	154 Å²	154	72.1 Å²	72.1	68%	0.675	40%	0.398	S	S	*	.			trans	-126.1	120.5	178.4	-178.1	-101.5	0	0	0	110.6
949	C	83.1	Confident	75.4	Confident	5 Å²	5	76.7 Å²	76.7	3%	0.034	42%	0.422	C	S	.	.			trans	-87.7	143.4	166	-61.5	0	0	0	0	109.3	T868 P872 C951 C969	T868-C949 WeakPolarHBondContact O-CB 3.46Å; T868-C949 PolarHBondContact O-SG 3Å; T868-C949 VanDerWaalsContact O-SG 3.36Å; P872-C949 VanDerWaalsContact CB-SG 3.59Å; C949-C951 PolarHBondContact O-N 3.22Å; C949-C951 PolarHBondContact O-SG 2.94Å; C949-C951 VanDerWaalsContact O-SG 3.41Å; C949-C969 WeakPolarHBondContact CA-O 3.38Å; C949-C969 HydrophobicContact CB-CB 3.7Å; C949-C969 WeakPolarHBondContact CB-SG 3.21Å; C949-C969 WeakPolarHBondContact SG-CB 3.24Å; C949-C969 CovalentContact SG-SG 2.03Å; C949-C969 PolarHBondContact SG-SG 3.01Å
950	A	81.1	Confident	75.2	Confident	44 Å²	44	80.6 Å²	80.6	36%	0.364	44%	0.443	S	S	.	.	B	Isolated β-bridge	trans	-67.1	97.7	-178.5	0	0	0	0	0	111.3	L959 C969 E970 C971	A950-L959 HydrophobicContact CB-CD1 4.31Å; A950-C969 PolarHBondContact N-O 2.91Å; A950-E970 HydrophobicContact CB-CB 4.25Å; A950-E970 WeakPolarHBondContact O-CA 3.45Å; A950-C971 PolarHBondContact O-N 2.71Å
951	C	74.8	Confident	75.1	Confident	11 Å²	11	79.5 Å²	79.5	7%	0.074	44%	0.44	C	S	.	.			trans	-135.1	136.1	-170.4	-66.6	0	0	0	0	112	C949 C971	C949-C951 PolarHBondContact O-N 3.22Å; C949-C951 PolarHBondContact O-SG 2.94Å; C949-C951 VanDerWaalsContact O-SG 3.41Å; C951-C971 HydrophobicContact CB-CB 3.77Å; C951-C971 WeakPolarHBondContact CB-SG 3.37Å; C951-C971 WeakPolarHBondContact SG-CB 3.36Å; C951-C971 PolarHBondContact SG-N 3.18Å; C951-C971 CovalentContact SG-SG 2.03Å; C951-C971 PolarHBondContact SG-SG 3.07Å
952	S	73.6	Confident	75.3	Confident	36 Å²	36	85 Å²	85	25%	0.252	47%	0.466	S	S	.	.			trans	-77.6	141.8	160.6	-179.5	0	0	0	0	109.3	D955 L957	S952-D955 VanDerWaalsContact CB-O 3.27Å; S952-D955 WeakPolarHBondContact CB-O 3.26Å; S952-D955 WeakPolarHBondContact CB-OD1 3.37Å; S952-D955 PolarHBondContact OG-N 3.23Å; S952-D955 PolarHBondContact OG-O 3.39Å; S952-D955 PolarHBondContact OG-OD1 3.38Å; S952-L957 WeakPolarHBondContact CB-O 3.28Å
953	M	64.8	Low	75.5	Confident	132 Å²	132	85.4 Å²	85.4	65%	0.65	46%	0.455	S	S	*	.	S	Bend	trans	-103.6	1.5	-176.9	-61.7	-63.1	-68.8	0	0	113
954	V	65.1	Low	76.1	Confident	138 Å²	138	85.3 Å²	85.3	84%	0.836	45%	0.449	S	S	*	.	S	Bend	trans	-135.1	-33.6	-169.5	-174.7	0	0	0	0	112.5
955	D	73.1	Confident	77.1	Confident	76 Å²	76	81.7 Å²	81.7	41%	0.406	43%	0.427	S	S	.	.	S	Bend	trans	-134.3	-179.6	176.3	63.1	23.5	0	0	0	110.6	S952 L957	S952-D955 VanDerWaalsContact CB-O 3.27Å; S952-D955 WeakPolarHBondContact CB-O 3.26Å; S952-D955 WeakPolarHBondContact CB-OD1 3.37Å; S952-D955 PolarHBondContact OG-N 3.23Å; S952-D955 PolarHBondContact OG-O 3.39Å; S952-D955 PolarHBondContact OG-OD1 3.38Å; D955-L957 VanDerWaalsContact C-N 3.34Å; D955-L957 WeakPolarHBondContact OD1-CB 3.47Å; D955-L957 PolarHBondContact OD1-N 3.19Å; D955-L957 WeakPolarHBondContact OD2-CD1 3.26Å
956	R	77.9	Confident	78.1	Confident	111 Å²	111	82.2 Å²	82.2	42%	0.419	42%	0.423	S	S	.	.	S	Bend	trans	-88.6	9.2	176.5	-69.1	-178.4	172	-170.4	-4.1	113.5	C973 E974	R956-C973 CarbonylContact O-C 3.6Å; R956-C973 WeakPolarHBondContact O-CA 3.45Å; R956-C973 VanDerWaalsContact O-CB 3.28Å; R956-C973 WeakPolarHBondContact O-CB 3.46Å; R956-E974 HydrophobicContact CB-CG 4.17Å; R956-E974 WeakPolarHBondContact CB-OE1 3.36Å; R956-E974 WeakPolarHBondContact CD-OE1 3.47Å; R956-E974 PolarHBondContact O-N 3.04Å
957	L	83.9	Confident	79.1	Confident	63 Å²	63	77.7 Å²	77.7	33%	0.33	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-72.7	135.7	-173.9	-66.8	179.3	0	0	0	111.8	S952 D955 E974	S952-L957 WeakPolarHBondContact CB-O 3.28Å; D955-L957 VanDerWaalsContact C-N 3.34Å; D955-L957 WeakPolarHBondContact OD1-CB 3.47Å; D955-L957 PolarHBondContact OD1-N 3.19Å; D955-L957 WeakPolarHBondContact OD2-CD1 3.26Å; L957-E974 WeakPolarHBondContact CA-O 3.47Å
958	C	86.3	Confident	79.9	Confident	17 Å²	17	79.5 Å²	79.5	12%	0.115	40%	0.403	C	S	.	.			trans	-68.7	135.5	173.3	-57.8	0	0	0	0	110.6	N960 C973 E974 C975	C958-N960 VanDerWaalsContact C-N 3.26Å; C958-N960 PolarHBondContact O-N 2.83Å; C958-C973 WeakPolarHBondContact CA-SG 3.49Å; C958-C973 HydrophobicContact CB-CB 3.91Å; C958-C973 WeakPolarHBondContact CB-SG 3.47Å; C958-C973 WeakPolarHBondContact SG-CB 3.28Å; C958-C973 CovalentContact SG-SG 2.03Å; C958-C973 PolarHBondContact SG-SG 3.14Å; C958-E974 PolarHBondContact N-O 2.84Å; C958-E974 PolarHBondContact SG-N 3.4Å; C958-C975 VanDerWaalsContact CB-SG 3.52Å
959	L	83.9	Confident	80.6	Confident	110 Å²	110	72.9 Å²	72.9	58%	0.576	38%	0.375	S	S	*	.	S	Bend	trans	-67.8	-24.2	176.8	-62	-178.3	0	0	0	113.3	A950	A950-L959 HydrophobicContact CB-CD1 4.31Å
960	N	84.7	Confident	80.8	Confident	83 Å²	83	73.5 Å²	73.5	44%	0.444	38%	0.378	S	S	.	.			trans	-143.9	111	174.2	-177.6	-10.5	0	0	0	110.9	R900 C958 H962 R963	R900-N960 PolarHBondContact NH1-O 3.17Å; R900-N960 PolarHBondContact NH2-O 2.87Å; R900-N960 VanDerWaalsContact NH2-O 3.08Å; C958-N960 VanDerWaalsContact C-N 3.26Å; C958-N960 PolarHBondContact O-N 2.83Å; N960-H962 PolarHBondContact OD1-N 2.72Å; N960-R963 PolarHBondContact OD1-N 2.68Å
961	C	84.5	Confident	81.1	Confident	44 Å²	44	72.1 Å²	72.1	30%	0.297	37%	0.365	S	S	.	.	S	Bend	trans	-83	-18.2	-178.8	-72.7	0	0	0	0	115.1	R900 C975	R900-C961 VanDerWaalsContact NH2-C 3.31Å; R900-C961 PolarHBondContact NH2-O 3.23Å; C961-C975 WeakPolarHBondContact CA-SG 3.23Å; C961-C975 HydrophobicContact CB-CB 3.83Å; C961-C975 WeakPolarHBondContact CB-SG 3.45Å; C961-C975 VanDerWaalsContact SG-CA 3.55Å; C961-C975 WeakPolarHBondContact SG-CB 3.35Å; C961-C975 CovalentContact SG-SG 2.03Å; C961-C975 PolarHBondContact SG-SG 3.05Å
962	H	80.2	Confident	81.8	Confident	157 Å²	157	72.7 Å²	72.7	73%	0.727	37%	0.369	S	S	*	.	S	Bend	trans	-94.2	-11.7	-172.6	-53.4	-56.7	0	0	0	114.2	N960 E978	N960-H962 PolarHBondContact OD1-N 2.72Å; H962-E978 IonicContact CE1-OE1 3.4Å
963	R	81.3	Confident	82.5	Confident	113 Å²	113	71.5 Å²	71.5	43%	0.426	36%	0.36	S	S	.	.			trans	-126.3	141.2	177	-168.2	166.1	174.5	-117.9	-7.4	110.4	R900 N960 E965 E968	R900-R963 PolarHBondContact NH1-O 2.84Å; R900-R963 PolarHBondContact NH2-O 2.89Å; N960-R963 PolarHBondContact OD1-N 2.68Å; R963-E965 HydrophobicContact CG-CG 4.44Å; R963-E965 IonicContact CZ-OE1 2.74Å; R963-E965 IonicContact CZ-OE2 3.1Å; R963-E965 IonicContact NE-OE1 2.77Å; R963-E965 PolarHBondContact NE-OE1 3.26Å; R963-E965 IonicContact NE-OE2 2.69Å; R963-E965 IonicContact NH2-OE1 3.93Å; R963-E965 PolarHBondContact NH2-OE1 2.86Å; R963-E965 IonicContact NH2-OE2 2.86Å; R963-E965 PolarHBondContact NH2-OE2 3.29Å; R963-E968 IonicContact CZ-OE1 3.97Å; R963-E968 IonicContact CZ-OE2 3.55Å; R963-E968 IonicContact NE-OE2 3.71Å; R963-E968 IonicContact NH1-OE1 3.8Å; R963-E968 PolarHBondContact NH1-OE1 2.95Å; R963-E968 IonicContact NH1-OE2 2.99Å; R963-E968 PolarHBondContact NH1-OE2 3.38Å; R963-E968 IonicContact NH2-OE1 2.84Å; R963-E968 PolarHBondContact NH2-OE1 3.18Å; R963-E968 IonicContact NH2-OE2 3.07Å
964	M	83.9	Confident	83.6	Confident	59 Å²	59	66.6 Å²	66.6	29%	0.291	34%	0.336	S	S	.	.			trans	-155.9	81.4	176.5	-164.8	-161.8	78.4	0	0	109.7	K887 L889 R900 E970	K887-M964 HydrophobicContact CB-CE 3.89Å; K887-M964 HydrophobicContact CD-CE 4.43Å; K887-M964 HydrophobicContact CD-CG 4.18Å; L889-M964 HydrophobicContact CB-SD 4.44Å; L889-M964 HydrophobicContact CD2-CE 4.17Å; L889-M964 HydrophobicContact CD2-SD 3.91Å; L889-M964 HydrophobicContact CG-CE 4.34Å; L889-M964 HydrophobicContact CG-SD 4.28Å; R900-M964 HydrophobicContact CG-SD 4.16Å; M964-E970 VanDerWaalsContact CG-OE1 3.22Å; M964-E970 WeakPolarHBondContact CG-OE1 3.36Å
965	E	85.2	Confident	84.7	Confident	92 Å²	92	60.3 Å²	60.3	43%	0.43	30%	0.297	S	S	.	.			trans	-88.1	146.6	178.7	-73.7	173.2	-157	0	0	111.5	K887 R963 N967 E968	K887-E965 WeakPolarHBondContact CD-O 3.48Å; K887-E965 VanDerWaalsContact CE-O 3.27Å; K887-E965 WeakPolarHBondContact CE-O 3.01Å; K887-E965 PolarHBondContact NZ-O 2.99Å; R963-E965 HydrophobicContact CG-CG 4.44Å; R963-E965 IonicContact CZ-OE1 2.74Å; R963-E965 IonicContact CZ-OE2 3.1Å; R963-E965 IonicContact NE-OE1 2.77Å; R963-E965 PolarHBondContact NE-OE1 3.26Å; R963-E965 IonicContact NE-OE2 2.69Å; R963-E965 IonicContact NH2-OE1 3.93Å; R963-E965 PolarHBondContact NH2-OE1 2.86Å; R963-E965 IonicContact NH2-OE2 2.86Å; R963-E965 PolarHBondContact NH2-OE2 3.29Å; E965-N967 VanDerWaalsContact C-N 3.31Å; E965-N967 PolarHBondContact O-N 3.08Å; E965-E968 HydrophobicContact CB-CG 4Å
966	Q	85.9	Confident	85.3	Confident	67 Å²	67	60.1 Å²	60.1	31%	0.313	30%	0.301	S	S	.	.	S	Bend	trans	-60.5	-37.9	-173.8	169.1	61.9	39	0	0	112.9	V885 K887	V885-Q966 PolarHBondContact O-NE2 2.79Å; K887-Q966 VanDerWaalsContact N-OE1 3.12Å
967	N	85.5	Confident	85.5	Confident	85 Å²	85	55.9 Å²	55.9	46%	0.455	29%	0.286	S	S	.	.	S	Bend	trans	-90.3	-18.3	-172.7	-61.1	49.1	0	0	0	113.9	N880 E965	N880-N967 PolarHBondContact OD1-ND2 2.85Å; E965-N967 VanDerWaalsContact C-N 3.31Å; E965-N967 PolarHBondContact O-N 3.08Å
968	E	86.6	Confident	85	Confident	73 Å²	73	56.4 Å²	56.4	34%	0.341	29%	0.287	S	S	.	.	S	Bend	trans	-72.8	134.5	178.1	-65.3	-172.1	131.9	0	0	110.7	K887 R963 E965	K887-E968 WeakPolarHBondContact CE-O 3.37Å; K887-E968 PolarHBondContact NZ-O 3.08Å; R963-E968 IonicContact CZ-OE1 3.97Å; R963-E968 IonicContact CZ-OE2 3.55Å; R963-E968 IonicContact NE-OE2 3.71Å; R963-E968 IonicContact NH1-OE1 3.8Å; R963-E968 PolarHBondContact NH1-OE1 2.95Å; R963-E968 IonicContact NH1-OE2 2.99Å; R963-E968 PolarHBondContact NH1-OE2 3.38Å; R963-E968 IonicContact NH2-OE1 2.84Å; R963-E968 PolarHBondContact NH2-OE1 3.18Å; R963-E968 IonicContact NH2-OE2 3.07Å; E965-E968 HydrophobicContact CB-CG 4Å
969	C	86.8	Confident	84.2	Confident	14 Å²	14	57.9 Å²	57.9	10%	0.095	30%	0.295	C	S	.	.			trans	-82.2	126.6	179.4	-164	0	0	0	0	112.7	N876 L879 C949 A950	N876-C969 HydrophobicContact CB-CB 4.39Å; L879-C969 HydrophobicContact CD1-CB 4.14Å; C949-C969 WeakPolarHBondContact CA-O 3.38Å; C949-C969 HydrophobicContact CB-CB 3.7Å; C949-C969 WeakPolarHBondContact CB-SG 3.21Å; C949-C969 WeakPolarHBondContact SG-CB 3.24Å; C949-C969 CovalentContact SG-SG 2.03Å; C949-C969 PolarHBondContact SG-SG 3.01Å; A950-C969 PolarHBondContact N-O 2.91Å
970	E	87.9	Confident	83.7	Confident	19 Å²	19	55.4 Å²	55.4	9%	0.089	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-136.6	167.4	174.9	69.4	-170.4	122.1	0	0	111.1	T868 K887 R900 Y902 A950 M964	T868-E970 VanDerWaalsContact CB-O 3.24Å; T868-E970 WeakPolarHBondContact CB-O 3.44Å; T868-E970 WeakPolarHBondContact CG2-O 3.28Å; T868-E970 PolarHBondContact OG1-O 2.83Å; K887-E970 WeakPolarHBondContact CE-OE1 3.35Å; K887-E970 IonicContact NZ-OE1 2.69Å; K887-E970 PolarHBondContact NZ-OE1 2.92Å; R900-E970 WeakPolarHBondContact CD-OE2 3.4Å; R900-E970 IonicContact CZ-OE2 2.72Å; R900-E970 IonicContact NE-OE2 4Å; R900-E970 IonicContact NH1-OE1 2.63Å; R900-E970 IonicContact NH1-OE2 3.18Å; R900-E970 PolarHBondContact NH1-OE2 3.35Å; Y902-E970 WeakPolarHBondContact OH-CG 3.35Å; Y902-E970 PolarHBondContact OH-N 3.05Å; Y902-E970 PolarHBondContact OH-O 3.39Å; A950-E970 HydrophobicContact CB-CB 4.25Å; A950-E970 WeakPolarHBondContact O-CA 3.45Å; M964-E970 VanDerWaalsContact CG-OE1 3.22Å; M964-E970 WeakPolarHBondContact CG-OE1 3.36Å
971	C	87.1	Confident	83	Confident	15 Å²	15	53.6 Å²	53.6	10%	0.101	27%	0.271	C	S	.	.			trans	-86.3	152.9	167.9	-82.9	0	0	0	0	111.6	A950 C951 C973	A950-C971 PolarHBondContact O-N 2.71Å; C951-C971 HydrophobicContact CB-CB 3.77Å; C951-C971 WeakPolarHBondContact CB-SG 3.37Å; C951-C971 WeakPolarHBondContact SG-CB 3.36Å; C951-C971 PolarHBondContact SG-N 3.18Å; C951-C971 CovalentContact SG-SG 2.03Å; C951-C971 PolarHBondContact SG-SG 3.07Å; C971-C973 WeakPolarHBondContact O-CB 3.43Å; C971-C973 PolarHBondContact O-N 2.85Å; C971-C973 PolarHBondContact O-SG 3.01Å; C971-C973 VanDerWaalsContact O-SG 3.35Å
972	P	88.6	Confident	82.4	Confident	23 Å²	23	51.6 Å²	51.6	15%	0.149	26%	0.258	C	S	.	.	S	Bend	trans	-53.1	126.6	162.2	-20.1	30.8	0	0	0	109.6	H866 R900 Y902	H866-P972 HydrophobicContact CB-CG 3.92Å; H866-P972 VanDerWaalsContact CG-CG 3.49Å; H866-P972 WeakPolarHBondContact ND1-CD 3.17Å; R900-P972 WeakPolarHBondContact O-CA 3.26Å; Y902-P972 HydrophobicContact CD2-CG 4.2Å; Y902-P972 HydrophobicContact CE2-CG 4.49Å
973	C	88.7	Confident	82	Confident	11 Å²	11	46.9 Å²	46.9	7%	0.074	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	169.3	-165.9	66.9	0	0	0	0	113.1	R900 R956 C958 C971	R900-C973 PolarHBondContact N-O 3.47Å; R900-C973 PolarHBondContact O-N 3.03Å; R956-C973 CarbonylContact O-C 3.6Å; R956-C973 WeakPolarHBondContact O-CA 3.45Å; R956-C973 VanDerWaalsContact O-CB 3.28Å; R956-C973 WeakPolarHBondContact O-CB 3.46Å; C958-C973 WeakPolarHBondContact CA-SG 3.49Å; C958-C973 HydrophobicContact CB-CB 3.91Å; C958-C973 WeakPolarHBondContact CB-SG 3.47Å; C958-C973 WeakPolarHBondContact SG-CB 3.28Å; C958-C973 CovalentContact SG-SG 2.03Å; C958-C973 PolarHBondContact SG-SG 3.14Å; C971-C973 WeakPolarHBondContact O-CB 3.43Å; C971-C973 PolarHBondContact O-N 2.85Å; C971-C973 PolarHBondContact O-SG 3.01Å; C971-C973 VanDerWaalsContact O-SG 3.35Å
974	E	88.8	Confident	81.2	Confident	29 Å²	29	43 Å²	43	14%	0.136	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	137.4	-176.5	-65.7	165.3	-153.5	0	0	110.7	T897 V898 Q899 R956 L957 C958 R1181	T897-E974 HydrophobicContact CG2-CB 4.23Å; V898-E974 CarbonylContact O-C 3.53Å; V898-E974 WeakPolarHBondContact O-CA 3.02Å; Q899-E974 HydrophobicContact CG-CG 4.46Å; R956-E974 HydrophobicContact CB-CG 4.17Å; R956-E974 WeakPolarHBondContact CB-OE1 3.36Å; R956-E974 WeakPolarHBondContact CD-OE1 3.47Å; R956-E974 PolarHBondContact O-N 3.04Å; L957-E974 WeakPolarHBondContact CA-O 3.47Å; C958-E974 PolarHBondContact N-O 2.84Å; C958-E974 PolarHBondContact SG-N 3.4Å; E974-R1181 IonicContact OE2-CZ 3.47Å; E974-R1181 IonicContact OE2-NH1 2.78Å; E974-R1181 PolarHBondContact OE2-NH1 3.05Å; E974-R1181 IonicContact OE2-NH2 2.8Å; E974-R1181 PolarHBondContact OE2-NH2 3.49Å
975	C	88.6	Confident	80.5	Confident	5 Å²	5	44 Å²	44	3%	0.034	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	154.4	166.9	-75.8	0	0	0	0	110.2	T897 V898 C958 C961	T897-C975 CarbonylContact C-O 3.59Å; T897-C975 WeakPolarHBondContact CA-O 3.06Å; T897-C975 VanDerWaalsContact CB-O 3.22Å; T897-C975 WeakPolarHBondContact CB-O 3.38Å; T897-C975 WeakPolarHBondContact CG2-O 3.34Å; V898-C975 HydrophobicContact CB-CB 4.22Å; V898-C975 PolarHBondContact N-O 3.4Å; V898-C975 PolarHBondContact O-N 3.19Å; C958-C975 VanDerWaalsContact CB-SG 3.52Å; C961-C975 WeakPolarHBondContact CA-SG 3.23Å; C961-C975 HydrophobicContact CB-CB 3.83Å; C961-C975 WeakPolarHBondContact CB-SG 3.45Å; C961-C975 VanDerWaalsContact SG-CA 3.55Å; C961-C975 WeakPolarHBondContact SG-CB 3.35Å; C961-C975 CovalentContact SG-SG 2.03Å; C961-C975 PolarHBondContact SG-SG 3.05Å
976	P	85.3	Confident	79.7	Confident	73 Å²	73	40 Å²	40	47%	0.474	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	148.3	164.6	30.7	-35	0	0	0	110.3
977	L	81.3	Confident	78.8	Confident	21 Å²	21	39 Å²	39	11%	0.11	22%	0.222	C	C	.	.			trans	-86.9	119.2	174.6	-172.8	67.7	0	0	0	110.5	N891 F893 R896 V898 V979 L986 E990	N891-L977 HydrophobicContact CB-CD1 4.07Å; F893-L977 HydrophobicContact CD1-CD2 4.05Å; F893-L977 HydrophobicContact CE1-CD2 4.18Å; R896-L977 WeakPolarHBondContact O-CB 3.33Å; R896-L977 PolarHBondContact O-N 3.27Å; V898-L977 HydrophobicContact CG2-CD1 3.56Å; L977-V979 PolarHBondContact O-N 3.34Å; L977-L986 HydrophobicContact CD1-CD2 3.77Å; L977-L986 HydrophobicContact CD2-CD2 3.97Å; L977-L986 HydrophobicContact CG-CD2 3.75Å; L977-E990 HydrophobicContact CD1-CB 4.43Å
978	E	74.3	Confident	77.6	Confident	75 Å²	75	41.7 Å²	41.7	35%	0.35	24%	0.236	S	C	.	.			trans	-89.3	85.1	-178.3	-67.6	-170	-179.1	0	0	112.8	H962 T987 E990	H962-E978 IonicContact CE1-OE1 3.4Å; E978-T987 HydrophobicContact CB-CG2 4Å; E978-T987 VanDerWaalsContact O-CG2 3.25Å; E978-T987 WeakPolarHBondContact O-CG2 3.44Å; E978-T987 PolarHBondContact O-N 2.95Å; E978-E990 VanDerWaalsContact C-OE2 3.25Å; E978-E990 VanDerWaalsContact CA-OE2 3.3Å; E978-E990 WeakPolarHBondContact CA-OE2 3.41Å; E978-E990 VanDerWaalsContact N-CD 3.29Å; E978-E990 PolarHBondContact N-OE1 3.13Å; E978-E990 PolarHBondContact N-OE2 2.86Å
979	V	70	Confident	76.4	Confident	47 Å²	47	41.7 Å²	41.7	29%	0.285	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-71.8	134.4	167.5	-171.4	0	0	0	0	110.3	L977 E981 L986	L977-V979 PolarHBondContact O-N 3.34Å; V979-E981 PolarHBondContact O-N 3.32Å; V979-L986 HydrophobicContact CG2-CD2 4.11Å
980	N	71.9	Confident	75.4	Confident	59 Å²	59	42 Å²	42	32%	0.316	25%	0.249	S	C	.	.			trans	-73.8	92.1	165.3	-177.1	-22.2	0	0	0	109.3	C982 T983 G984 N985	N980-C982 PolarHBondContact O-N 2.83Å; N980-C982 WeakPolarHBondContact OD1-CB 3.34Å; N980-C982 PolarHBondContact OD1-N 3.16Å; N980-C982 VanDerWaalsContact OD1-N 3.11Å; N980-T983 PolarHBondContact O-N 2.84Å; N980-T983 PolarHBondContact OD1-N 3.06Å; N980-G984 PolarHBondContact O-N 2.84Å; N980-N985 WeakPolarHBondContact CA-O 3.41Å; N980-N985 VanDerWaalsContact CB-O 3.23Å; N980-N985 WeakPolarHBondContact CB-O 3.45Å; N980-N985 PolarHBondContact N-O 3.39Å
981	E	70.1	Confident	74.2	Confident	44 Å²	44	43.2 Å²	43.2	21%	0.206	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-7	-179.9	-59.3	156.3	126.6	0	0	114.6	Y282 E292 T293 K296 V979	Y282-E981 WeakPolarHBondContact OH-CB 3.44Å; Y282-E981 PolarHBondContact OH-O 3.06Å; E292-E981 HydrophobicContact CB-CG 4.45Å; T293-E981 PolarHBondContact OG1-O 3.39Å; T293-E981 VanDerWaalsContact OG1-O 3.05Å; K296-E981 HydrophobicContact CD-CB 4.31Å; K296-E981 VanDerWaalsContact CD-CD 3.45Å; K296-E981 HydrophobicContact CD-CG 4.46Å; K296-E981 WeakPolarHBondContact CD-OE2 3.31Å; K296-E981 WeakPolarHBondContact CE-OE2 3.27Å; K296-E981 IonicContact NZ-OE2 2.68Å; K296-E981 PolarHBondContact NZ-OE2 2.97Å; V979-E981 PolarHBondContact O-N 3.32Å
982	C	72.4	Confident	73.2	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.014	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-38.6	173.4	-179.5	0	0	0	0	113.6	C281 Y282 S287 P288 N980	C281-C982 HydrophobicContact CB-CB 3.55Å; C281-C982 WeakPolarHBondContact CB-SG 3.22Å; C281-C982 WeakPolarHBondContact SG-CB 3.48Å; C281-C982 CovalentContact SG-SG 2.03Å; C281-C982 PolarHBondContact SG-SG 3.01Å; Y282-C982 HydrophobicContact CD1-CB 4.04Å; Y282-C982 HydrophobicContact CD2-CB 3.83Å; Y282-C982 HydrophobicContact CE1-CB 3.81Å; Y282-C982 HydrophobicContact CE2-CB 3.63Å; Y282-C982 HydrophobicContact CG-CB 4.06Å; Y282-C982 PolarHBondContact N-SG 3.45Å; Y282-C982 PolarHBondContact OH-N 2.83Å; S287-C982 VanDerWaalsContact CA-O 3.29Å; S287-C982 WeakPolarHBondContact CA-O 3.45Å; S287-C982 WeakPolarHBondContact CB-O 3.44Å; P288-C982 VanDerWaalsContact CD-O 3.3Å; P288-C982 WeakPolarHBondContact CD-O 3.46Å; N980-C982 PolarHBondContact O-N 2.83Å; N980-C982 WeakPolarHBondContact OD1-CB 3.34Å; N980-C982 PolarHBondContact OD1-N 3.16Å; N980-C982 VanDerWaalsContact OD1-N 3.11Å
983	T	71.2	Confident	72.6	Confident	58 Å²	58	51.8 Å²	51.8	36%	0.356	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-18.4	179.2	57	0	0	0	0	113.3	C281 N980 N985	C281-T983 VanDerWaalsContact SG-CG2 3.6Å; N980-T983 PolarHBondContact O-N 2.84Å; N980-T983 PolarHBondContact OD1-N 3.06Å; T983-N985 PolarHBondContact O-N 3.43Å; T983-N985 PolarHBondContact OG1-N 3.33Å
984	G	65.4	Low	72	Confident	31 Å²	31	52.7 Å²	52.7	32%	0.32	29%	0.29	S	S	.	.	S	Bend	trans	81.2	-12.4	-168	0	0	0	0	0	113.8	N980	N980-G984 PolarHBondContact O-N 2.84Å
985	N	69.4	Low	71.5	Confident	81 Å²	81	51.4 Å²	51.4	43%	0.433	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-81.1	147.9	-177	-62.1	-3.3	0	0	0	111.8	N980 T983	N980-N985 WeakPolarHBondContact CA-O 3.41Å; N980-N985 VanDerWaalsContact CB-O 3.23Å; N980-N985 WeakPolarHBondContact CB-O 3.45Å; N980-N985 PolarHBondContact N-O 3.39Å; T983-N985 PolarHBondContact O-N 3.43Å; T983-N985 PolarHBondContact OG1-N 3.33Å
986	L	68.2	Low	71	Confident	8 Å²	8	51.5 Å²	51.5	4%	0.042	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-56.5	152.8	161.2	-67.5	174.9	0	0	0	112.2	H539 N891 F893 L977 V979 E990 N991	H539-L986 HydrophobicContact CB-CD1 4.09Å; N891-L986 WeakPolarHBondContact ND2-CD1 2.95Å; F893-L986 HydrophobicContact CE1-CD1 4.1Å; F893-L986 HydrophobicContact CZ-CD1 4.1Å; L977-L986 HydrophobicContact CD1-CD2 3.77Å; L977-L986 HydrophobicContact CD2-CD2 3.97Å; L977-L986 HydrophobicContact CG-CD2 3.75Å; V979-L986 HydrophobicContact CG2-CD2 4.11Å; L986-E990 HydrophobicContact CB-CB 4.45Å; L986-N991 HydrophobicContact CB-CB 3.78Å
987	T	67.8	Low	70.3	Confident	45 Å²	45	51.3 Å²	51.3	28%	0.276	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-57.2	152.1	171.5	54.9	0	0	0	0	111.9	E978 A989 E990 N991	E978-T987 HydrophobicContact CB-CG2 4Å; E978-T987 VanDerWaalsContact O-CG2 3.25Å; E978-T987 WeakPolarHBondContact O-CG2 3.44Å; E978-T987 PolarHBondContact O-N 2.95Å; T987-A989 PolarHBondContact O-N 3.01Å; T987-E990 PolarHBondContact O-N 3.43Å; T987-E990 VanDerWaalsContact O-N 3.1Å; T987-E990 WeakPolarHBondContact OG1-CG 3.26Å; T987-E990 PolarHBondContact OG1-OE2 3.21Å; T987-E990 VanDerWaalsContact OG1-OE2 3.13Å; T987-N991 VanDerWaalsContact O-CB 3.27Å; T987-N991 WeakPolarHBondContact O-CB 3.37Å; T987-N991 PolarHBondContact O-N 3.13Å
988	N	60.3	Low	69.6	Low	142 Å²	142	51.6 Å²	51.6	76%	0.759	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-17.1	-176	-79	-18.4	0	0	0	115.2	R992	N988-R992 PolarHBondContact O-NE 2.82Å
989	A	61.1	Low	69.1	Low	73 Å²	73	51.1 Å²	51.1	60%	0.603	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-58.4	170.6	0	0	0	0	0	110.7	T987 N991 R992	T987-A989 PolarHBondContact O-N 3.01Å; A989-N991 VanDerWaalsContact C-N 3.29Å; A989-N991 PolarHBondContact O-N 3.43Å; A989-R992 WeakPolarHBondContact O-CB 3.4Å; A989-R992 PolarHBondContact O-N 3.43Å; A989-R992 VanDerWaalsContact O-N 3.1Å
990	E	64.3	Low	69	Low	22 Å²	22	52.5 Å²	52.5	10%	0.103	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-67.4	-26.5	-176	-63.6	176.2	149.5	0	0	114	N891 V898 L977 E978 L986 T987 R992 N993	N891-E990 PolarHBondContact ND2-O 3.44Å; V898-E990 HydrophobicContact CG2-CG 4.23Å; L977-E990 HydrophobicContact CD1-CB 4.43Å; E978-E990 VanDerWaalsContact C-OE2 3.25Å; E978-E990 VanDerWaalsContact CA-OE2 3.3Å; E978-E990 WeakPolarHBondContact CA-OE2 3.41Å; E978-E990 VanDerWaalsContact N-CD 3.29Å; E978-E990 PolarHBondContact N-OE1 3.13Å; E978-E990 PolarHBondContact N-OE2 2.86Å; L986-E990 HydrophobicContact CB-CB 4.45Å; T987-E990 PolarHBondContact O-N 3.43Å; T987-E990 VanDerWaalsContact O-N 3.1Å; T987-E990 WeakPolarHBondContact OG1-CG 3.26Å; T987-E990 PolarHBondContact OG1-OE2 3.21Å; T987-E990 VanDerWaalsContact OG1-OE2 3.13Å; E990-R992 PolarHBondContact O-N 2.8Å; E990-N993 VanDerWaalsContact O-CB 3.28Å; E990-N993 WeakPolarHBondContact O-CB 3.25Å; E990-N993 VanDerWaalsContact O-CG 3.3Å; E990-N993 PolarHBondContact O-N 3.32Å
991	N	62.8	Low	69.1	Low	44 Å²	44	50.5 Å²	50.5	24%	0.235	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-68.7	4.2	173.5	-158.3	36.1	0	0	0	113.2	H539 N542 L986 T987 A989	H539-N991 PolarHBondContact CE1-OD1 3.03Å; H539-N991 VanDerWaalsContact CE1-OD1 3.31Å; H539-N991 PolarHBondContact ND1-OD1 3.01Å; N542-N991 PolarHBondContact ND2-O 2.69Å; N542-N991 PolarHBondContact OD1-O 3.1Å; L986-N991 HydrophobicContact CB-CB 3.78Å; T987-N991 VanDerWaalsContact O-CB 3.27Å; T987-N991 WeakPolarHBondContact O-CB 3.37Å; T987-N991 PolarHBondContact O-N 3.13Å; A989-N991 VanDerWaalsContact C-N 3.29Å; A989-N991 PolarHBondContact O-N 3.43Å
992	R	67.3	Low	69	Low	203 Å²	203	53 Å²	53	77%	0.766	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-106.2	-7.3	170.2	-58.4	179.7	-179.8	-161.1	-4.1	112.9	N988 A989 E990	N988-R992 PolarHBondContact O-NE 2.82Å; A989-R992 WeakPolarHBondContact O-CB 3.4Å; A989-R992 PolarHBondContact O-N 3.43Å; A989-R992 VanDerWaalsContact O-N 3.1Å; E990-R992 PolarHBondContact O-N 2.8Å
993	N	74.9	Confident	68.8	Low	14 Å²	14	55.1 Å²	55.1	8%	0.075	30%	0.303	C	S	.	.	S	Bend	trans	-77.3	144.8	-178	-56.4	-7	0	0	0	109.8	N542 L889 N891 E990	N542-N993 PolarHBondContact ND2-O 3.2Å; L889-N993 HydrophobicContact CD1-CB 3.87Å; L889-N993 VanDerWaalsContact CD1-CG 3.43Å; L889-N993 VanDerWaalsContact CD1-OD1 3.27Å; L889-N993 WeakPolarHBondContact CD1-OD1 3.47Å; N891-N993 WeakPolarHBondContact OD1-CB 3.34Å; N891-N993 PolarHBondContact OD1-ND2 2.96Å; E990-N993 VanDerWaalsContact O-CB 3.28Å; E990-N993 WeakPolarHBondContact O-CB 3.25Å; E990-N993 VanDerWaalsContact O-CG 3.3Å; E990-N993 PolarHBondContact O-N 3.32Å
994	P	76.8	Confident	68.8	Low	30 Å²	30	56.8 Å²	56.8	20%	0.195	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-67.6	153.8	169.3	29.9	-35.1	0	0	0	111.4	L889 C890 N891	L889-P994 VanDerWaalsContact O-CD 3.23Å; L889-P994 WeakPolarHBondContact O-CD 3.03Å; L889-P994 WeakPolarHBondContact O-CG 3.47Å; C890-P994 CarbonylContact C-O 3.57Å; C890-P994 WeakPolarHBondContact CA-O 3.18Å; C890-P994 HydrophobicContact CB-CG 3.98Å; C890-P994 WeakPolarHBondContact CB-O 3.43Å; N891-P994 PolarHBondContact N-O 3.33Å
995	S	79.1	Confident	69.1	Low	3 Å²	3	58.3 Å²	58.3	2%	0.021	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-56.7	141.2	158.4	-65.4	0	0	0	0	109.9	Y540	Y540-S995 WeakPolarHBondContact CA-OG 3.32Å; Y540-S995 PolarHBondContact O-OG 3.16Å
996	C	78	Confident	69.2	Low	6 Å²	6	56.1 Å²	56.1	4%	0.041	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-64.2	157.6	174.4	-70.6	0	0	0	0	112.5	S521 C890 N891 S892	S521-C996 PolarHBondContact OG-O 3.18Å; C890-C996 HydrophobicContact CB-CB 3.89Å; C890-C996 WeakPolarHBondContact CB-SG 3.1Å; C890-C996 PolarHBondContact O-SG 3.45Å; C890-C996 WeakPolarHBondContact SG-CA 3.04Å; C890-C996 WeakPolarHBondContact SG-CB 3.48Å; C890-C996 CovalentContact SG-SG 2.04Å; C890-C996 PolarHBondContact SG-SG 3.35Å; N891-C996 PolarHBondContact O-N 2.7Å; S892-C996 PolarHBondContact N-SG 2.84Å; S892-C996 VanDerWaalsContact N-SG 3.45Å
997	E	69.1	Low	69.1	Low	69 Å²	69	59.1 Å²	59.1	32%	0.322	33%	0.325	S	S	.	.	S	Bend	trans	-57.8	160	164.5	-80.3	170.7	177.6	0	0	110.7	W573 R844 H999	W573-E997 HydrophobicContact CB-CG 3.63Å; R844-E997 IonicContact CZ-OE2 3.63Å; R844-E997 IonicContact NH1-OE2 2.75Å; R844-E997 PolarHBondContact NH1-OE2 3.2Å; R844-E997 IonicContact NH2-OE1 3.74Å; R844-E997 IonicContact NH2-OE2 3.02Å; R844-E997 PolarHBondContact NH2-OE2 2.84Å; E997-H999 PolarHBondContact O-N 2.81Å; E997-H999 VanDerWaalsContact O-N 3.15Å
998	V	66.9	Low	69.3	Low	28 Å²	28	57.7 Å²	57.7	17%	0.17	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-46.6	118.9	-177.8	171.2	0	0	0	0	111.5	W573 R756 Q1000	W573-V998 HydrophobicContact CZ3-CG2 4.4Å; R756-V998 VanDerWaalsContact NH1-CG1 3.27Å; V998-Q1000 PolarHBondContact O-N 3.32Å
999	H	64.4	Low	70	Confident	64 Å²	64	56.2 Å²	56.2	30%	0.296	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-54.6	132.6	175.6	-179.9	108	0	0	0	110.2	D895 E997 E1001	D895-H999 IonicContact OD1-CE1 3.31Å; D895-H999 PolarHBondContact OD1-CE1 3.04Å; D895-H999 IonicContact OD1-ND1 2.89Å; D895-H999 PolarHBondContact OD1-ND1 2.88Å; D895-H999 IonicContact OD2-CE1 3.42Å; D895-H999 IonicContact OD2-ND1 3.76Å; D895-H999 PolarHBondContact OD2-ND1 3.47Å; E997-H999 PolarHBondContact O-N 2.81Å; E997-H999 VanDerWaalsContact O-N 3.15Å; H999-E1001 PolarHBondContact O-N 2.82Å
1000	Q	66.9	Low	70.5	Confident	77 Å²	77	56 Å²	56	36%	0.36	30%	0.3	S	S	.	.			trans	-72.5	109.8	-177.2	179.1	175.9	-3.1	0	0	110.2	V998	V998-Q1000 PolarHBondContact O-N 3.32Å
1001	E	74	Confident	70.8	Confident	17 Å²	17	57.6 Å²	57.6	8%	0.079	32%	0.322	C	S	.	.			trans	-59.3	130.5	-178.8	-61.3	-179.4	157.4	0	0	110.6	R524 L527 R756 R757 H999	R524-E1001 WeakPolarHBondContact CD-OE1 3.43Å; R524-E1001 WeakPolarHBondContact CG-OE1 3.43Å; R524-E1001 IonicContact CZ-OE1 2.77Å; R524-E1001 IonicContact NE-OE1 3.25Å; R524-E1001 VanDerWaalsContact NH1-CD 3.29Å; R524-E1001 IonicContact NH1-OE1 2.67Å; R524-E1001 PolarHBondContact NH1-OE1 3.36Å; R524-E1001 IonicContact NH1-OE2 2.72Å; R524-E1001 PolarHBondContact NH1-OE2 3.36Å; L527-E1001 HydrophobicContact CD1-CB 3.88Å; L527-E1001 HydrophobicContact CD1-CG 3.59Å; R756-E1001 HydrophobicContact CB-CG 4.23Å; R756-E1001 HydrophobicContact CG-CG 4.46Å; R756-E1001 WeakPolarHBondContact CG-OE2 3.4Å; R757-E1001 PolarHBondContact NH1-O 3.21Å; H999-E1001 PolarHBondContact O-N 2.82Å
1002	P	68.6	Low	71.3	Confident	95 Å²	95	59 Å²	59	62%	0.617	33%	0.329	S	S	*	.			trans	-64.5	147.6	177.8	28.9	-35.2	0	0	0	109.5
1003	V	69.1	Low	71.6	Confident	47 Å²	47	51.4 Å²	51.4	29%	0.285	30%	0.303	S	S	.	.			trans	-111.7	122.7	-179.2	-155.3	0	0	0	0	111.1	F752 V779	F752-V1003 HydrophobicContact CD2-CG1 3.73Å; F752-V1003 HydrophobicContact CE2-CG1 4.19Å; V779-V1003 HydrophobicContact CB-CG1 4.39Å; V779-V1003 HydrophobicContact CG1-CB 4.29Å; V779-V1003 HydrophobicContact CG1-CG1 3.89Å; V779-V1003 HydrophobicContact CG2-CB 3.7Å; V779-V1003 HydrophobicContact CG2-CG1 3.82Å; V779-V1003 HydrophobicContact CG2-CG2 4.06Å
1004	T	71.4	Confident	71.6	Confident	94 Å²	94	58 Å²	58	58%	0.577	34%	0.338	S	S	*	.			trans	-82.1	133.6	172.1	-52.4	0	0	0	0	109.7
1005	Y	71.1	Confident	71.8	Confident	63 Å²	63	60.4 Å²	60.4	25%	0.247	36%	0.36	C	S	.	.			trans	-76.9	127	166.6	167.6	-100.3	0	0	0	109.3	K645 V779 A1007	K645-Y1005 HydrophobicContact CB-CE2 3.95Å; K645-Y1005 PolarHBondContact O-OH 2.87Å; V779-Y1005 WeakPolarHBondContact O-CD2 3.2Å; Y1005-A1007 PolarHBondContact O-N 2.67Å; Y1005-A1007 VanDerWaalsContact O-N 3.13Å
1006	T	72.2	Confident	72	Confident	35 Å²	35	62 Å²	62	22%	0.215	37%	0.368	C	S	.	.			trans	-73.4	103.9	176.5	-48.8	0	0	0	0	109.9	L747 D749	L747-T1006 HydrophobicContact CD2-CG2 3.95Å; L747-T1006 HydrophobicContact CG-CG2 4.17Å; D749-T1006 VanDerWaalsContact CA-OG1 3.29Å; D749-T1006 WeakPolarHBondContact CA-OG1 3.49Å; D749-T1006 WeakPolarHBondContact CB-OG1 3.38Å; D749-T1006 PolarHBondContact N-OG1 2.03Å
1007	A	65.9	Low	72.5	Confident	70 Å²	70	67.6 Å²	67.6	58%	0.579	39%	0.394	S	S	*	.			trans	-60.8	138.6	175.9	0	0	0	0	0	111.6	Y1005 M1078	Y1005-A1007 PolarHBondContact O-N 2.67Å; Y1005-A1007 VanDerWaalsContact O-N 3.13Å; A1007-M1078 HydrophobicContact CB-CE 4.2Å
1008	I	72.1	Confident	73.4	Confident	16 Å²	16	68.1 Å²	68.1	8%	0.082	40%	0.396	C	S	.	.			trans	-104.8	154	176	-55.9	160	0	0	0	107.4	L642 K645 L647 P1010 L1012	L642-I1008 HydrophobicContact CD1-CD1 4.02Å; K645-I1008 WeakPolarHBondContact O-CD1 3.24Å; L647-I1008 HydrophobicContact CB-CD1 3.83Å; L647-I1008 HydrophobicContact CB-CG1 4.37Å; I1008-P1010 WeakPolarHBondContact O-CD 3.43Å; I1008-L1012 HydrophobicContact CG2-CB 4.32Å; I1008-L1012 HydrophobicContact CG2-CD2 4.11Å; I1008-L1012 HydrophobicContact CG2-CG 4.38Å
1009	D	73.9	Confident	74.4	Confident	111 Å²	111	67.5 Å²	67.5	59%	0.594	39%	0.393	S	S	*	.			trans	-58.7	121.2	167.9	-177.7	-15.8	0	0	0	109.6	G1011 L1012 Q1013	D1009-G1011 PolarHBondContact O-N 2.95Å; D1009-G1011 VanDerWaalsContact O-N 3.16Å; D1009-G1011 PolarHBondContact OD1-N 3.22Å; D1009-L1012 HydrophobicContact CB-CB 4.22Å; D1009-L1012 WeakPolarHBondContact O-CA 3.27Å; D1009-L1012 WeakPolarHBondContact O-CB 3.47Å; D1009-L1012 PolarHBondContact O-N 2.9Å; D1009-Q1013 PolarHBondContact O-N 3.4Å
1010	P	72.1	Confident	75.3	Confident	67 Å²	67	66 Å²	66	44%	0.435	39%	0.389	S	S	.	.	H	α-helix	trans	-54	-34.8	178.5	-27.6	36.1	0	0	0	113.4	I1008 L1012 Q1013 D1014 M1078	I1008-P1010 WeakPolarHBondContact O-CD 3.43Å; P1010-L1012 PolarHBondContact O-N 2.81Å; P1010-Q1013 PolarHBondContact O-N 3.32Å; P1010-Q1013 VanDerWaalsContact O-N 3.12Å; P1010-D1014 PolarHBondContact O-N 3.21Å; P1010-M1078 HydrophobicContact CG-SD 4.37Å
1011	G	71.4	Confident	76	Confident	56 Å²	56	68.4 Å²	68.4	58%	0.577	40%	0.404	S	S	*	.	H	α-helix	trans	-68.4	-21.6	177.5	0	0	0	0	0	114.1	D1009	D1009-G1011 PolarHBondContact O-N 2.95Å; D1009-G1011 VanDerWaalsContact O-N 3.16Å; D1009-G1011 PolarHBondContact OD1-N 3.22Å
1012	L	73.1	Confident	76.4	Confident	73 Å²	73	68.1 Å²	68.1	38%	0.382	40%	0.403	S	S	.	.	H	α-helix	trans	-85.4	-36.2	168.9	180	61.6	0	0	0	111.2	I1008 D1009 P1010 A1015 L1016	I1008-L1012 HydrophobicContact CG2-CB 4.32Å; I1008-L1012 HydrophobicContact CG2-CD2 4.11Å; I1008-L1012 HydrophobicContact CG2-CG 4.38Å; D1009-L1012 HydrophobicContact CB-CB 4.22Å; D1009-L1012 WeakPolarHBondContact O-CA 3.27Å; D1009-L1012 WeakPolarHBondContact O-CB 3.47Å; D1009-L1012 PolarHBondContact O-N 2.9Å; P1010-L1012 PolarHBondContact O-N 2.81Å; L1012-A1015 PolarHBondContact O-N 3.03Å; L1012-L1016 HydrophobicContact CD1-CD1 4.32Å; L1012-L1016 HydrophobicContact CD1-CG 4.5Å; L1012-L1016 HydrophobicContact CG-CD1 4.11Å; L1012-L1016 WeakPolarHBondContact O-CG 3.15Å
1013	Q	73.5	Confident	77.3	Confident	44 Å²	44	70.5 Å²	70.5	21%	0.206	40%	0.4	C	S	.	.	H	α-helix	trans	-64.2	-44.4	-178.6	-172	171.7	-9.6	0	0	112.4	L642 D1009 P1010 A1015 L1016	L642-Q1013 HydrophobicContact CD1-CG 4.23Å; L642-Q1013 HydrophobicContact CD2-CG 3.88Å; D1009-Q1013 PolarHBondContact O-N 3.4Å; P1010-Q1013 PolarHBondContact O-N 3.32Å; P1010-Q1013 VanDerWaalsContact O-N 3.12Å; Q1013-A1015 PolarHBondContact O-N 3.36Å; Q1013-L1016 PolarHBondContact O-N 2.91Å
1014	D	73.6	Confident	78.3	Confident	152 Å²	152	68.6 Å²	68.6	81%	0.813	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.3	177.8	-76.8	-21.2	0	0	0	113.7	P1010	P1010-D1014 PolarHBondContact O-N 3.21Å
1015	A	80.6	Confident	79	Confident	81 Å²	81	69.1 Å²	69.1	67%	0.669	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-9.4	179.6	0	0	0	0	0	113.8	L1012 Q1013	L1012-A1015 PolarHBondContact O-N 3.03Å; Q1013-A1015 PolarHBondContact O-N 3.36Å
1016	L	84.6	Confident	79.9	Confident	36 Å²	36	72.3 Å²	72.3	19%	0.188	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-101.8	141.1	-173.7	-69.3	170.3	0	0	0	112.4	A640 L642 L647 L1012 Q1013	A640-L1016 HydrophobicContact CB-CD2 3.9Å; A640-L1016 WeakPolarHBondContact O-CD2 3.36Å; L642-L1016 HydrophobicContact CB-CB 4.48Å; L647-L1016 HydrophobicContact CD1-CD1 3.58Å; L1012-L1016 HydrophobicContact CD1-CD1 4.32Å; L1012-L1016 HydrophobicContact CD1-CG 4.5Å; L1012-L1016 HydrophobicContact CG-CD1 4.11Å; L1012-L1016 WeakPolarHBondContact O-CG 3.15Å; Q1013-L1016 PolarHBondContact O-N 2.91Å
1017	H	88.1	Confident	80.8	Confident	124 Å²	124	73.4 Å²	73.4	57%	0.574	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-85.5	154.5	173.1	66.4	-76.4	0	0	0	110.8	C641 L642	C641-H1017 CarbonylContact C-O 3.56Å; C641-H1017 WeakPolarHBondContact CA-O 3.48Å; C641-H1017 WeakPolarHBondContact CB-O 3.03Å; L642-H1017 PolarHBondContact N-O 2.66Å
1018	Q	87.3	Confident	81.8	Confident	80 Å²	80	77.1 Å²	77.1	37%	0.374	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-65.5	134.7	172.5	-75.9	-69.8	-28.9	0	0	111	L642 F644 V1020	L642-Q1018 CarbonylContact O-C 3.41Å; L642-Q1018 VanDerWaalsContact O-CA 3.26Å; L642-Q1018 WeakPolarHBondContact O-CA 3.23Å; L642-Q1018 PolarHBondContact O-OE1 3.17Å; F644-Q1018 VanDerWaalsContact N-OE1 3.1Å; F644-Q1018 PolarHBondContact O-NE2 3.03Å; Q1018-V1020 VanDerWaalsContact C-N 3.32Å; Q1018-V1020 PolarHBondContact O-N 2.72Å
1019	C	87.8	Confident	82.5	Confident	16 Å²	16	83 Å²	83	11%	0.108	45%	0.45	C	S	.	.	S	Bend	trans	-63.3	-37.6	177.9	-61.5	0	0	0	0	112.1	C641 L642 H643 L650	C641-C1019 HydrophobicContact CB-CB 3.94Å; C641-C1019 WeakPolarHBondContact CB-SG 3.43Å; C641-C1019 VanDerWaalsContact SG-CA 3.52Å; C641-C1019 WeakPolarHBondContact SG-CB 3.4Å; C641-C1019 CovalentContact SG-SG 2.03Å; C641-C1019 PolarHBondContact SG-SG 2.71Å; L642-C1019 PolarHBondContact O-N 2.97Å; L642-C1019 PolarHBondContact O-SG 3.02Å; H643-C1019 HydrophobicContact CB-CB 4.37Å; L650-C1019 HydrophobicContact CD1-CB 4.48Å; L650-C1019 HydrophobicContact CD2-CB 4.46Å; L650-C1019 HydrophobicContact CG-CB 4.36Å
1020	V	83.2	Confident	82.9	Confident	33 Å²	33	80 Å²	80	20%	0.2	44%	0.438	C	S	.	.			trans	-108.5	131.3	-179.2	-175.1	0	0	0	0	109.1	Q1018 L1037	Q1018-V1020 VanDerWaalsContact C-N 3.32Å; Q1018-V1020 PolarHBondContact O-N 2.72Å; V1020-L1037 HydrophobicContact CG1-CD1 4.26Å
1021	N	83.5	Confident	83.4	Confident	126 Å²	126	78.6 Å²	78.6	67%	0.674	44%	0.436	S	S	*	.			trans	-114.3	87.7	173	-174.7	-17.3	0	0	0	109.5	R1023	N1021-R1023 PolarHBondContact O-N 3.31Å; N1021-R1023 VanDerWaalsContact OD1-CG 3.24Å; N1021-R1023 WeakPolarHBondContact OD1-CG 3.23Å; N1021-R1023 PolarHBondContact OD1-N 3.38Å
1022	S	81.6	Confident	84.1	Confident	11 Å²	11	80.4 Å²	80.4	8%	0.077	43%	0.432	C	S	.	.			trans	-74.3	-11	-173.8	-55.5	0	0	0	0	115.1	C1024 R1027 L1037 C1039	S1022-C1024 VanDerWaalsContact C-N 3.34Å; S1022-C1024 PolarHBondContact O-N 3.44Å; S1022-R1027 PolarHBondContact O-NE 2.88Å; S1022-R1027 PolarHBondContact O-NH2 3.15Å; S1022-L1037 WeakPolarHBondContact CB-O 3.43Å; S1022-L1037 PolarHBondContact OG-O 2.89Å; S1022-C1039 WeakPolarHBondContact CB-SG 3.24Å
1023	R	87.3	Confident	84.9	Confident	145 Å²	145	77 Å²	77	55%	0.547	41%	0.414	S	S	.	.			trans	50.6	45.3	178.2	-54.6	-174.8	-170.9	-179	1.6	114	N1021 S1025 Q1026	N1021-R1023 PolarHBondContact O-N 3.31Å; N1021-R1023 VanDerWaalsContact OD1-CG 3.24Å; N1021-R1023 WeakPolarHBondContact OD1-CG 3.23Å; N1021-R1023 PolarHBondContact OD1-N 3.38Å; R1023-S1025 VanDerWaalsContact C-N 3.27Å; R1023-S1025 PolarHBondContact O-N 3.21Å; R1023-S1025 VanDerWaalsContact O-N 3.15Å; R1023-Q1026 HydrophobicContact CB-CB 4.33Å; R1023-Q1026 HydrophobicContact CB-CG 4.15Å; R1023-Q1026 WeakPolarHBondContact O-CB 3.04Å; R1023-Q1026 PolarHBondContact O-N 3.07Å
1024	C	89.1	Confident	85.4	Confident	7 Å²	7	76.8 Å²	76.8	5%	0.047	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-49.4	-45.2	-173.5	-49.3	0	0	0	0	113.1	S1022 Q1026 R1027 C1039 C1057	S1022-C1024 VanDerWaalsContact C-N 3.34Å; S1022-C1024 PolarHBondContact O-N 3.44Å; C1024-Q1026 PolarHBondContact O-N 2.94Å; C1024-R1027 WeakPolarHBondContact O-CB 3.38Å; C1024-R1027 PolarHBondContact O-N 2.85Å; C1024-C1039 WeakPolarHBondContact CA-SG 3.33Å; C1024-C1039 HydrophobicContact CB-CB 3.84Å; C1024-C1039 WeakPolarHBondContact CB-SG 3.49Å; C1024-C1039 WeakPolarHBondContact SG-CA 3.04Å; C1024-C1039 WeakPolarHBondContact SG-CB 3.27Å; C1024-C1039 CovalentContact SG-SG 2.04Å; C1024-C1039 PolarHBondContact SG-SG 2.96Å; C1024-C1057 CarbonylContact C-O 3.58Å; C1024-C1057 VanDerWaalsContact O-CB 3.29Å; C1024-C1057 WeakPolarHBondContact O-CB 3.47Å; C1024-C1057 PolarHBondContact O-SG 2.91Å
1025	S	87.9	Confident	85.9	Confident	105 Å²	105	69.7 Å²	69.7	73%	0.734	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-64.9	-7.1	178.7	57.2	0	0	0	0	116.1	R1023	R1023-S1025 VanDerWaalsContact C-N 3.27Å; R1023-S1025 PolarHBondContact O-N 3.21Å; R1023-S1025 VanDerWaalsContact O-N 3.15Å
1026	Q	89.4	Confident	86.3	Confident	131 Å²	131	65.9 Å²	65.9	61%	0.612	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-91.1	-8.6	171.6	-59.4	-174.9	-6.8	0	0	112.7	R1023 C1024	R1023-Q1026 HydrophobicContact CB-CB 4.33Å; R1023-Q1026 HydrophobicContact CB-CG 4.15Å; R1023-Q1026 WeakPolarHBondContact O-CB 3.04Å; R1023-Q1026 PolarHBondContact O-N 3.07Å; C1024-Q1026 PolarHBondContact O-N 2.94Å
1027	R	89.9	Confident	86.5	Confident	57 Å²	57	64.3 Å²	64.3	22%	0.215	34%	0.336	C	S	.	.			trans	-96	98.8	-177.3	-59.9	169.7	180	-82.5	-4.1	109.1	S1022 C1024 D1032 C1033 C1057	S1022-R1027 PolarHBondContact O-NE 2.88Å; S1022-R1027 PolarHBondContact O-NH2 3.15Å; C1024-R1027 WeakPolarHBondContact O-CB 3.38Å; C1024-R1027 PolarHBondContact O-N 2.85Å; R1027-D1032 HydrophobicContact CB-CB 4.39Å; R1027-D1032 WeakPolarHBondContact CD-O 3.33Å; R1027-D1032 PolarHBondContact NH1-O 3.37Å; R1027-C1033 HydrophobicContact CB-CB 4.44Å; R1027-C1057 HydrophobicContact CB-CB 4.05Å; R1027-C1057 VanDerWaalsContact O-CB 3.24Å; R1027-C1057 WeakPolarHBondContact O-CB 3.26Å
1028	L	87.2	Confident	86.5	Confident	149 Å²	149	60.2 Å²	60.2	78%	0.78	32%	0.318	S	S	*	.			trans	-82.7	-18.1	-174.2	-59.5	179.3	0	0	0	113.6
1029	E	87.6	Confident	86.6	Confident	139 Å²	139	56.5 Å²	56.5	65%	0.65	30%	0.301	S	S	*	.	S	Bend	trans	-110.9	143.8	-178.4	-63.5	-169	-162	0	0	111.7	G1031 D1032 C1033	E1029-G1031 VanDerWaalsContact C-N 3.33Å; E1029-G1031 PolarHBondContact O-N 3.48Å; E1029-D1032 PolarHBondContact O-N 2.99Å; E1029-C1033 PolarHBondContact O-N 2.96Å
1030	S	82.8	Confident	86.6	Confident	48 Å²	48	56 Å²	56	34%	0.336	30%	0.297	S	S	.	.	H	α-helix	trans	-56.5	-46.5	179.6	-178.6	0	0	0	0	111.8	D1032 C1033 F1034	S1030-D1032 PolarHBondContact O-N 2.79Å; S1030-C1033 PolarHBondContact O-N 3.45Å; S1030-F1034 VanDerWaalsContact O-CB 3.28Å; S1030-F1034 WeakPolarHBondContact O-CB 3.48Å; S1030-F1034 PolarHBondContact O-N 3.23Å
1031	G	82.3	Confident	86.9	Confident	38 Å²	38	56.4 Å²	56.4	39%	0.392	30%	0.295	S	S	.	.	H	α-helix	trans	-61.8	-24.2	-178.9	0	0	0	0	0	115.2	E1029	E1029-G1031 VanDerWaalsContact C-N 3.33Å; E1029-G1031 PolarHBondContact O-N 3.48Å
1032	D	86.3	Confident	87.1	Confident	93 Å²	93	50.4 Å²	50.4	50%	0.497	26%	0.263	S	S	.	.	H	α-helix	trans	-87.3	-24.6	175.1	-85.2	-13.2	0	0	0	113	R1027 E1029 S1030 V1036	R1027-D1032 HydrophobicContact CB-CB 4.39Å; R1027-D1032 WeakPolarHBondContact CD-O 3.33Å; R1027-D1032 PolarHBondContact NH1-O 3.37Å; E1029-D1032 PolarHBondContact O-N 2.99Å; S1030-D1032 PolarHBondContact O-N 2.79Å; D1032-V1036 WeakPolarHBondContact O-CG2 3.47Å
1033	C	88.4	Confident	87.5	Confident	1 Å²	1	53 Å²	53	1%	0.007	28%	0.275	C	S	.	.	H	α-helix	trans	-82.8	-33.9	175	-170.2	0	0	0	0	112.3	R1027 E1029 S1030 G1035 V1036 W1041 C1057	R1027-C1033 HydrophobicContact CB-CB 4.44Å; E1029-C1033 PolarHBondContact O-N 2.96Å; S1030-C1033 PolarHBondContact O-N 3.45Å; C1033-G1035 PolarHBondContact O-N 3.16Å; C1033-V1036 PolarHBondContact O-N 3.16Å; C1033-V1036 VanDerWaalsContact O-N 3.13Å; C1033-W1041 HydrophobicContact CB-CE3 3.7Å; C1033-W1041 HydrophobicContact CB-CZ3 4.37Å; C1033-C1057 HydrophobicContact CB-CB 3.63Å; C1033-C1057 WeakPolarHBondContact CB-SG 3.36Å; C1033-C1057 VanDerWaalsContact SG-CA 3.57Å; C1033-C1057 WeakPolarHBondContact SG-CB 3.15Å; C1033-C1057 CovalentContact SG-SG 2.03Å; C1033-C1057 PolarHBondContact SG-SG 3.19Å
1034	F	85.4	Confident	87.5	Confident	40 Å²	40	46.2 Å²	46.2	18%	0.175	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	106.3	-160.5	-165.9	-86.8	0	0	0	113.7	R815 Y818 K819 I854 S1030	R815-F1034 HydrophobicContact CB-CD1 3.91Å; R815-F1034 HydrophobicContact CB-CE1 3.7Å; R815-F1034 HydrophobicContact CB-CZ 4.25Å; R815-F1034 HydrophobicContact CG-CE1 4.29Å; R815-F1034 HydrophobicContact CG-CZ 4.35Å; R815-F1034 WeakPolarHBondContact O-CE1 3.13Å; Y818-F1034 AromaticContact CD1-CE1 3.79Å; Y818-F1034 HydrophobicContact CD1-CE1 3.79Å; Y818-F1034 AromaticContact CD1-CZ 3.6Å; Y818-F1034 HydrophobicContact CD1-CZ 3.6Å; Y818-F1034 HydrophobicContact CE1-CZ 4.19Å; K819-F1034 HydrophobicContact CB-CD1 4Å; K819-F1034 HydrophobicContact CB-CE1 4.31Å; I854-F1034 HydrophobicContact CD1-CE1 4.2Å; I854-F1034 HydrophobicContact CD1-CZ 3.77Å; I854-F1034 HydrophobicContact CG2-CE2 3.75Å; I854-F1034 HydrophobicContact CG2-CZ 3.71Å; S1030-F1034 VanDerWaalsContact O-CB 3.28Å; S1030-F1034 WeakPolarHBondContact O-CB 3.48Å; S1030-F1034 PolarHBondContact O-N 3.23Å
1035	G	82.9	Confident	87.3	Confident	3 Å²	3	48.9 Å²	48.9	3%	0.031	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	3.9	178.4	0	0	0	0	0	115.2	Y727 T813 C1033	Y727-G1035 VanDerWaalsContact CD1-O 3.26Å; Y727-G1035 WeakPolarHBondContact CD1-O 3.26Å; T813-G1035 WeakPolarHBondContact CG2-O 3.35Å; T813-G1035 PolarHBondContact OG1-O 2.78Å; C1033-G1035 PolarHBondContact O-N 3.16Å
1036	V	90.1	Very high	87.2	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.012	26%	0.259	C	S	.	.			trans	-64.7	139.4	171.7	175.7	0	0	0	0	109.9	T726 Y727 D1032 C1033 D1038 C1039	T726-V1036 CarbonylContact O-C 3.58Å; T726-V1036 VanDerWaalsContact O-CA 3.23Å; T726-V1036 WeakPolarHBondContact O-CA 3.24Å; Y727-V1036 HydrophobicContact CE1-CG2 4.09Å; D1032-V1036 WeakPolarHBondContact O-CG2 3.47Å; C1033-V1036 PolarHBondContact O-N 3.16Å; C1033-V1036 VanDerWaalsContact O-N 3.13Å; V1036-D1038 PolarHBondContact O-N 3.13Å; V1036-C1039 HydrophobicContact CB-CB 3.97Å; V1036-C1039 HydrophobicContact CG1-CB 4.21Å; V1036-C1039 PolarHBondContact O-N 3.23Å
1037	L	88.9	Confident	86.8	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.01	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	135.3	176.5	-65.3	169.9	0	0	0	111.2	F644 N725 T726 I728 V729 T813 V1020 S1022 C1039	F644-L1037 HydrophobicContact CZ-CB 4.14Å; F644-L1037 HydrophobicContact CZ-CD2 3.93Å; N725-L1037 WeakPolarHBondContact O-CD1 3.34Å; T726-L1037 WeakPolarHBondContact O-CG 3.37Å; T726-L1037 PolarHBondContact O-N 3.44Å; I728-L1037 WeakPolarHBondContact O-CD1 3.44Å; V729-L1037 HydrophobicContact CB-CD2 4.26Å; V729-L1037 HydrophobicContact CG2-CD2 3.52Å; T813-L1037 HydrophobicContact CG2-CD2 3.84Å; V1020-L1037 HydrophobicContact CG1-CD1 4.26Å; S1022-L1037 WeakPolarHBondContact CB-O 3.43Å; S1022-L1037 PolarHBondContact OG-O 2.89Å; L1037-C1039 PolarHBondContact O-N 3.36Å
1038	D	86.9	Confident	86.2	Confident	39 Å²	39	44.5 Å²	44.5	21%	0.209	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	0.1	-177.4	-168.1	44.9	0	0	0	115.2	F644 V1036 P1059 Q1060	F644-D1038 HydrophobicContact CE1-CB 3.94Å; V1036-D1038 PolarHBondContact O-N 3.13Å; D1038-P1059 CarbonylContact O-C 3.47Å; D1038-P1059 WeakPolarHBondContact O-CA 3.38Å; D1038-Q1060 PolarHBondContact O-N 2.87Å
1039	C	89.3	Confident	85.9	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.014	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	137.3	-178.5	-59	0	0	0	0	113.5	S1022 C1024 V1036 L1037 A1058	S1022-C1039 WeakPolarHBondContact CB-SG 3.24Å; C1024-C1039 WeakPolarHBondContact CA-SG 3.33Å; C1024-C1039 HydrophobicContact CB-CB 3.84Å; C1024-C1039 WeakPolarHBondContact CB-SG 3.49Å; C1024-C1039 WeakPolarHBondContact SG-CA 3.04Å; C1024-C1039 WeakPolarHBondContact SG-CB 3.27Å; C1024-C1039 CovalentContact SG-SG 2.04Å; C1024-C1039 PolarHBondContact SG-SG 2.96Å; V1036-C1039 HydrophobicContact CB-CB 3.97Å; V1036-C1039 HydrophobicContact CG1-CB 4.21Å; V1036-C1039 PolarHBondContact O-N 3.23Å; L1037-C1039 PolarHBondContact O-N 3.36Å; C1039-A1058 WeakPolarHBondContact CA-O 3.25Å
1040	E	88.2	Confident	85.8	Confident	6 Å²	6	41.3 Å²	41.3	3%	0.028	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140.1	-179.3	-70.6	-80.8	151.2	0	0	109.7	R815 C1057 A1058 Q1060 C1063 G1065 G1066	R815-E1040 IonicContact CZ-OE1 3.32Å; R815-E1040 IonicContact CZ-OE2 3.8Å; R815-E1040 VanDerWaalsContact CZ-OE2 3.25Å; R815-E1040 IonicContact NH1-OE1 3.4Å; R815-E1040 PolarHBondContact NH1-OE1 3.2Å; R815-E1040 IonicContact NH1-OE2 3.57Å; R815-E1040 PolarHBondContact NH1-OE2 2.96Å; R815-E1040 IonicContact NH2-OE1 2.67Å; R815-E1040 IonicContact NH2-OE2 2.68Å; R815-E1040 PolarHBondContact NH2-OE2 3.35Å; E1040-C1057 WeakPolarHBondContact O-CA 3.4Å; E1040-A1058 PolarHBondContact N-O 2.97Å; E1040-A1058 PolarHBondContact O-N 3.31Å; E1040-Q1060 HydrophobicContact CG-CB 4.36Å; E1040-Q1060 HydrophobicContact CG-CG 3.6Å; E1040-C1063 VanDerWaalsContact CB-O 3.3Å; E1040-C1063 WeakPolarHBondContact CB-O 3.02Å; E1040-C1063 VanDerWaalsContact CG-O 3.26Å; E1040-C1063 WeakPolarHBondContact CG-O 3.47Å; E1040-G1065 WeakPolarHBondContact OE2-CA 3.24Å; E1040-G1065 PolarHBondContact OE2-N 3.39Å; E1040-G1066 PolarHBondContact OE2-N 3.19Å
1041	W	89.3	Confident	85.9	Confident	40 Å²	40	43.8 Å²	43.8	15%	0.152	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	104.5	178.6	-176.4	-100	0	0	0	110.4	C1033 S1055 C1057 G1066	C1033-W1041 HydrophobicContact CB-CE3 3.7Å; C1033-W1041 HydrophobicContact CB-CZ3 4.37Å; W1041-S1055 WeakPolarHBondContact CZ2-OG 3.22Å; W1041-C1057 HydrophobicContact CE3-CB 3.91Å; W1041-C1057 HydrophobicContact CZ3-CB 4.05Å; W1041-G1066 VanDerWaalsContact O-CA 3.23Å; W1041-G1066 WeakPolarHBondContact O-CA 3.49Å
1042	C	89.4	Confident	86.1	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	124.3	-172.1	-50	0	0	0	0	110.5	L1052 S1055 Y1056 A1058 C1063 V1068	C1042-L1052 HydrophobicContact CB-CD1 4.1Å; C1042-S1055 WeakPolarHBondContact O-CA 3.43Å; C1042-S1055 WeakPolarHBondContact O-CB 3.36Å; C1042-Y1056 HydrophobicContact CB-CD1 4.13Å; C1042-Y1056 HydrophobicContact CB-CE1 3.96Å; C1042-Y1056 WeakPolarHBondContact CB-O 3.32Å; C1042-Y1056 PolarHBondContact N-O 2.68Å; C1042-Y1056 PolarHBondContact O-N 2.81Å; C1042-A1058 VanDerWaalsContact SG-CB 3.5Å; C1042-C1063 WeakPolarHBondContact CA-SG 3.28Å; C1042-C1063 HydrophobicContact CB-CB 4.26Å; C1042-C1063 WeakPolarHBondContact CB-SG 3.27Å; C1042-C1063 WeakPolarHBondContact SG-CB 3.35Å; C1042-C1063 CovalentContact SG-SG 2.03Å; C1042-C1063 PolarHBondContact SG-SG 2.87Å; C1042-V1068 HydrophobicContact CB-CG2 4.01Å
1043	M	88.9	Confident	85.9	Confident	67 Å²	67	47.9 Å²	47.9	33%	0.33	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	-0.6	-176.2	54.3	173.9	-75.6	0	0	113.6	P856 H1051 L1052 G1066	P856-M1043 HydrophobicContact CG-CE 4.02Å; P856-M1043 HydrophobicContact CG-CG 4.25Å; P856-M1043 HydrophobicContact CG-SD 4.13Å; M1043-H1051 WeakPolarHBondContact O-CA 3.49Å; M1043-H1051 PolarHBondContact O-ND1 2.78Å; M1043-L1052 PolarHBondContact O-N 3.32Å; M1043-G1066 PolarHBondContact N-O 3.23Å
1044	V	87.1	Confident	85.9	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	138.1	177.6	-178.2	0	0	0	0	108.9	P856 T1050 G1066 I1067 V1068	P856-V1044 HydrophobicContact CB-CG2 3.99Å; P856-V1044 HydrophobicContact CG-CG2 3.81Å; V1044-T1050 CarbonylContact C-O 3.59Å; V1044-T1050 VanDerWaalsContact CA-O 3.28Å; V1044-T1050 WeakPolarHBondContact CA-O 3.37Å; V1044-T1050 WeakPolarHBondContact CG1-O 3.43Å; V1044-G1066 PolarHBondContact N-O 2.63Å; V1044-I1067 HydrophobicContact CB-CG1 4.15Å; V1044-I1067 HydrophobicContact CG1-CG1 4.29Å; V1044-I1067 WeakPolarHBondContact O-CA 3.46Å; V1044-V1068 PolarHBondContact O-N 2.83Å
1045	D	86.1	Confident	86.1	Confident	64 Å²	64	57 Å²	57	34%	0.342	30%	0.303	S	S	.	.			trans	-72.9	169.7	176.7	-155.3	-26.2	0	0	0	111.5	D1047 G1048 T1050 L1052 I1067	D1045-D1047 PolarHBondContact O-N 3.33Å; D1045-G1048 PolarHBondContact O-N 3.46Å; D1045-T1050 VanDerWaalsContact CB-OG1 3.26Å; D1045-T1050 WeakPolarHBondContact CB-OG1 3.26Å; D1045-T1050 PolarHBondContact N-O 3.28Å; D1045-L1052 HydrophobicContact CB-CD2 3.96Å; D1045-I1067 WeakPolarHBondContact O-CG2 3.27Å
1046	S	84.8	Confident	86.5	Confident	91 Å²	91	60.9 Å²	60.9	64%	0.636	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-13.4	174.7	56.1	0	0	0	0	116.9	G1048 V1068	S1046-G1048 VanDerWaalsContact C-N 3.32Å; S1046-V1068 VanDerWaalsContact CA-O 3.27Å; S1046-V1068 WeakPolarHBondContact CA-O 3.49Å
1047	D	80.1	Confident	86.6	Confident	82 Å²	82	61 Å²	61	44%	0.439	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-8.5	171.1	91.2	-41.5	0	0	0	113.8	D1045 K1049 T1050	D1045-D1047 PolarHBondContact O-N 3.33Å; D1047-K1049 VanDerWaalsContact C-N 3.29Å; D1047-K1049 PolarHBondContact O-N 3.35Å; D1047-K1049 PolarHBondContact OD1-N 2.69Å; D1047-T1050 PolarHBondContact OD1-N 3.48Å; D1047-T1050 PolarHBondContact OD1-OG1 3.07Å
1048	G	77.9	Confident	86.7	Confident	27 Å²	27	61 Å²	61	28%	0.278	32%	0.318	S	S	.	.	S	Bend	trans	71.9	13.5	-178.8	0	0	0	0	0	114.8	D1045 S1046	D1045-G1048 PolarHBondContact O-N 3.46Å; S1046-G1048 VanDerWaalsContact C-N 3.32Å
1049	K	80.6	Confident	86.8	Confident	152 Å²	152	61.3 Å²	61.3	66%	0.661	32%	0.322	S	S	*	.	S	Bend	trans	-141	-39.2	-172.7	-60.4	169.4	-171.2	161.2	0	114.8	D1047	D1047-K1049 VanDerWaalsContact C-N 3.29Å; D1047-K1049 PolarHBondContact O-N 3.35Å; D1047-K1049 PolarHBondContact OD1-N 2.69Å
1050	T	85.2	Confident	86.5	Confident	70 Å²	70	62.3 Å²	62.3	43%	0.429	33%	0.327	S	S	.	.	S	Bend	trans	-75.2	133.2	177.7	50.9	0	0	0	0	110.2	V1044 D1045 D1047	V1044-T1050 CarbonylContact C-O 3.59Å; V1044-T1050 VanDerWaalsContact CA-O 3.28Å; V1044-T1050 WeakPolarHBondContact CA-O 3.37Å; V1044-T1050 WeakPolarHBondContact CG1-O 3.43Å; D1045-T1050 VanDerWaalsContact CB-OG1 3.26Å; D1045-T1050 WeakPolarHBondContact CB-OG1 3.26Å; D1045-T1050 PolarHBondContact N-O 3.28Å; D1047-T1050 PolarHBondContact OD1-N 3.48Å; D1047-T1050 PolarHBondContact OD1-OG1 3.07Å
1051	H	86	Confident	86.1	Confident	99 Å²	99	70.1 Å²	70.1	46%	0.458	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	140.2	175.2	-79	-67.7	0	0	0	110.2	K857 M1043	K857-H1051 PolarHBondContact NZ-NE2 3.18Å; M1043-H1051 WeakPolarHBondContact O-CA 3.49Å; M1043-H1051 PolarHBondContact O-ND1 2.78Å
1052	L	86.6	Confident	86	Confident	42 Å²	42	72.6 Å²	72.6	22%	0.22	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	135.4	178.8	-61.2	172.6	0	0	0	111	C1042 M1043 D1045 K1054 Y1056 V1068	C1042-L1052 HydrophobicContact CB-CD1 4.1Å; M1043-L1052 PolarHBondContact O-N 3.32Å; D1045-L1052 HydrophobicContact CB-CD2 3.96Å; L1052-K1054 PolarHBondContact O-N 2.99Å; L1052-K1054 VanDerWaalsContact O-N 3.1Å; L1052-Y1056 HydrophobicContact CD1-CD1 4.32Å; L1052-Y1056 HydrophobicContact CD1-CE1 4.01Å; L1052-V1068 HydrophobicContact CD1-CG2 3.9Å
1053	D	82	Confident	85.8	Confident	175 Å²	175	72.6 Å²	72.6	94%	0.936	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.3	-26.2	173.1	-74.2	-30.1	0	0	0	113
1054	K	87.4	Confident	85.6	Confident	176 Å²	176	70.8 Å²	70.8	77%	0.765	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.6	114.7	171.3	-65.9	-177.4	-178.7	177.2	0	109.1	L1052	L1052-K1054 PolarHBondContact O-N 2.99Å; L1052-K1054 VanDerWaalsContact O-N 3.1Å
1055	S	90	Very high	85.3	Confident	58 Å²	58	71.8 Å²	71.8	41%	0.406	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	149.9	167.3	42.8	0	0	0	0	111.1	W1041 C1042	W1041-S1055 WeakPolarHBondContact CZ2-OG 3.22Å; C1042-S1055 WeakPolarHBondContact O-CA 3.43Å; C1042-S1055 WeakPolarHBondContact O-CB 3.36Å
1056	Y	92.6	Very high	85.2	Confident	84 Å²	84	68.9 Å²	68.9	33%	0.329	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	162.2	-174.2	68.5	-80.6	0	0	0	112.1	C1042 L1052 A1058 E1062 V1068	C1042-Y1056 HydrophobicContact CB-CD1 4.13Å; C1042-Y1056 HydrophobicContact CB-CE1 3.96Å; C1042-Y1056 WeakPolarHBondContact CB-O 3.32Å; C1042-Y1056 PolarHBondContact N-O 2.68Å; C1042-Y1056 PolarHBondContact O-N 2.81Å; L1052-Y1056 HydrophobicContact CD1-CD1 4.32Å; L1052-Y1056 HydrophobicContact CD1-CE1 4.01Å; Y1056-A1058 HydrophobicContact CD2-CB 4.08Å; Y1056-A1058 HydrophobicContact CE2-CB 3.65Å; Y1056-E1062 VanDerWaalsContact CE2-OE1 3.29Å; Y1056-E1062 WeakPolarHBondContact CE2-OE1 3.16Å; Y1056-E1062 PolarHBondContact OH-OE1 2.68Å; Y1056-V1068 HydrophobicContact CE1-CG2 4.45Å
1057	C	92.3	Very high	85.2	Confident	4 Å²	4	66.1 Å²	66.1	3%	0.027	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	124.1	176.7	-167.3	0	0	0	0	111	C1024 R1027 C1033 E1040 W1041	C1024-C1057 CarbonylContact C-O 3.58Å; C1024-C1057 VanDerWaalsContact O-CB 3.29Å; C1024-C1057 WeakPolarHBondContact O-CB 3.47Å; C1024-C1057 PolarHBondContact O-SG 2.91Å; R1027-C1057 HydrophobicContact CB-CB 4.05Å; R1027-C1057 VanDerWaalsContact O-CB 3.24Å; R1027-C1057 WeakPolarHBondContact O-CB 3.26Å; C1033-C1057 HydrophobicContact CB-CB 3.63Å; C1033-C1057 WeakPolarHBondContact CB-SG 3.36Å; C1033-C1057 VanDerWaalsContact SG-CA 3.57Å; C1033-C1057 WeakPolarHBondContact SG-CB 3.15Å; C1033-C1057 CovalentContact SG-SG 2.03Å; C1033-C1057 PolarHBondContact SG-SG 3.19Å; E1040-C1057 WeakPolarHBondContact O-CA 3.4Å; W1041-C1057 HydrophobicContact CE3-CB 3.91Å; W1041-C1057 HydrophobicContact CZ3-CB 4.05Å
1058	A	90.8	Very high	85.5	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.008	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	166.5	-176.3	0	0	0	0	0	112.2	C1039 E1040 C1042 Y1056 E1062 C1063	C1039-A1058 WeakPolarHBondContact CA-O 3.25Å; E1040-A1058 PolarHBondContact N-O 2.97Å; E1040-A1058 PolarHBondContact O-N 3.31Å; C1042-A1058 VanDerWaalsContact SG-CB 3.5Å; Y1056-A1058 HydrophobicContact CD2-CB 4.08Å; Y1056-A1058 HydrophobicContact CE2-CB 3.65Å; A1058-E1062 HydrophobicContact CB-CB 4.24Å; A1058-E1062 HydrophobicContact CB-CG 4.38Å; A1058-C1063 HydrophobicContact CB-CB 4.05Å
1059	P	87.8	Confident	85.7	Confident	47 Å²	47	65 Å²	65	31%	0.305	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	152.6	172.6	-18.7	33.4	0	0	0	113	D1038 K1061 E1062 C1063	D1038-P1059 CarbonylContact O-C 3.47Å; D1038-P1059 WeakPolarHBondContact O-CA 3.38Å; P1059-K1061 PolarHBondContact O-N 3.03Å; P1059-E1062 PolarHBondContact O-N 3.1Å; P1059-C1063 PolarHBondContact O-N 3.13Å
1060	Q	83.1	Confident	85.7	Confident	23 Å²	23	59.2 Å²	59.2	11%	0.107	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-25.2	178	-82.6	-175.5	4.4	0	0	113.9	A782 D1038 E1040 C1063	A782-Q1060 PolarHBondContact O-NE2 3.37Å; A782-Q1060 VanDerWaalsContact O-NE2 3.09Å; A782-Q1060 PolarHBondContact O-OE1 2.03Å; D1038-Q1060 PolarHBondContact O-N 2.87Å; E1040-Q1060 HydrophobicContact CG-CB 4.36Å; E1040-Q1060 HydrophobicContact CG-CG 3.6Å; Q1060-C1063 CarbonylContact C-O 3.6Å; Q1060-C1063 WeakPolarHBondContact CA-O 3.4Å
1061	K	80.1	Confident	85	Confident	169 Å²	169	63 Å²	63	74%	0.735	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-27.6	177.1	-172.9	171.1	-175	174.4	0	113.8	P1059	P1059-K1061 PolarHBondContact O-N 3.03Å
1062	E	86.7	Confident	84.3	Confident	92 Å²	92	59.3 Å²	59.3	43%	0.43	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-30.7	177.7	-172	-177.4	146.7	0	0	111.3	Y1056 A1058 P1059 G1069	Y1056-E1062 VanDerWaalsContact CE2-OE1 3.29Å; Y1056-E1062 WeakPolarHBondContact CE2-OE1 3.16Å; Y1056-E1062 PolarHBondContact OH-OE1 2.68Å; A1058-E1062 HydrophobicContact CB-CB 4.24Å; A1058-E1062 HydrophobicContact CB-CG 4.38Å; P1059-E1062 PolarHBondContact O-N 3.1Å; E1062-G1069 PolarHBondContact O-N 2.86Å
1063	C	86.4	Confident	83.2	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	128.1	-165.4	170.4	0	0	0	0	108.4	E1040 C1042 A1058 P1059 Q1060 I1067	E1040-C1063 VanDerWaalsContact CB-O 3.3Å; E1040-C1063 WeakPolarHBondContact CB-O 3.02Å; E1040-C1063 VanDerWaalsContact CG-O 3.26Å; E1040-C1063 WeakPolarHBondContact CG-O 3.47Å; C1042-C1063 WeakPolarHBondContact CA-SG 3.28Å; C1042-C1063 HydrophobicContact CB-CB 4.26Å; C1042-C1063 WeakPolarHBondContact CB-SG 3.27Å; C1042-C1063 WeakPolarHBondContact SG-CB 3.35Å; C1042-C1063 CovalentContact SG-SG 2.03Å; C1042-C1063 PolarHBondContact SG-SG 2.87Å; A1058-C1063 HydrophobicContact CB-CB 4.05Å; P1059-C1063 PolarHBondContact O-N 3.13Å; Q1060-C1063 CarbonylContact C-O 3.6Å; Q1060-C1063 WeakPolarHBondContact CA-O 3.4Å; C1063-I1067 CarbonylContact C-O 3.48Å; C1063-I1067 WeakPolarHBondContact CA-O 2.96Å
1064	F	84.8	Confident	82.2	Confident	30 Å²	30	54.3 Å²	54.3	13%	0.132	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.8	-175.9	-173.8	-93.5	0	0	0	110.5	G1066 I1067 A1070 P1073	F1064-G1066 PolarHBondContact O-N 2.92Å; F1064-I1067 PolarHBondContact N-O 2.83Å; F1064-I1067 PolarHBondContact O-N 3.35Å; F1064-I1067 VanDerWaalsContact O-N 3.08Å; F1064-A1070 HydrophobicContact CB-CB 4.28Å; F1064-A1070 WeakPolarHBondContact CB-O 3.42Å; F1064-P1073 VanDerWaalsContact CE1-CD 3.49Å; F1064-P1073 HydrophobicContact CE1-CG 4.15Å; F1064-P1073 VanDerWaalsContact CZ-CD 3.44Å; F1064-P1073 HydrophobicContact CZ-CG 4.15Å
1065	G	79.6	Confident	80.6	Confident	21 Å²	21	49.1 Å²	49.1	22%	0.216	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	13.4	-175.3	0	0	0	0	0	113.7	P856 E1040	P856-G1065 WeakPolarHBondContact CA-O 3.45Å; P856-G1065 WeakPolarHBondContact CB-O 3.45Å; E1040-G1065 WeakPolarHBondContact OE2-CA 3.24Å; E1040-G1065 PolarHBondContact OE2-N 3.39Å
1066	G	83.6	Confident	78.6	Confident	3 Å²	3	50.6 Å²	50.6	3%	0.031	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	6.8	-171.4	0	0	0	0	0	115.9	E1040 W1041 M1043 V1044 F1064	E1040-G1066 PolarHBondContact OE2-N 3.19Å; W1041-G1066 VanDerWaalsContact O-CA 3.23Å; W1041-G1066 WeakPolarHBondContact O-CA 3.49Å; M1043-G1066 PolarHBondContact N-O 3.23Å; V1044-G1066 PolarHBondContact N-O 2.63Å; F1064-G1066 PolarHBondContact O-N 2.92Å
1067	I	85.7	Confident	76.2	Confident	33 Å²	33	50 Å²	50	17%	0.169	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.8	174.5	-55.2	176	0	0	0	109.6	P856 V1044 D1045 C1063 F1064 A1070	P856-I1067 HydrophobicContact CB-CD1 4.42Å; P856-I1067 HydrophobicContact CB-CG1 3.86Å; V1044-I1067 HydrophobicContact CB-CG1 4.15Å; V1044-I1067 HydrophobicContact CG1-CG1 4.29Å; V1044-I1067 WeakPolarHBondContact O-CA 3.46Å; D1045-I1067 WeakPolarHBondContact O-CG2 3.27Å; C1063-I1067 CarbonylContact C-O 3.48Å; C1063-I1067 WeakPolarHBondContact CA-O 2.96Å; F1064-I1067 PolarHBondContact N-O 2.83Å; F1064-I1067 PolarHBondContact O-N 3.35Å; F1064-I1067 VanDerWaalsContact O-N 3.08Å; I1067-A1070 HydrophobicContact CB-CB 3.83Å; I1067-A1070 HydrophobicContact CG2-CB 3.98Å
1068	V	87	Confident	73.8	Confident	29 Å²	29	55.2 Å²	55.2	18%	0.176	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	133.3	176.3	177.9	0	0	0	0	110.7	C1042 V1044 S1046 L1052 Y1056 A1070	C1042-V1068 HydrophobicContact CB-CG2 4.01Å; V1044-V1068 PolarHBondContact O-N 2.83Å; S1046-V1068 VanDerWaalsContact CA-O 3.27Å; S1046-V1068 WeakPolarHBondContact CA-O 3.49Å; L1052-V1068 HydrophobicContact CD1-CG2 3.9Å; Y1056-V1068 HydrophobicContact CE1-CG2 4.45Å; V1068-A1070 PolarHBondContact O-N 2.84Å
1069	G	82.2	Confident	71.2	Confident	57 Å²	57	57.9 Å²	57.9	59%	0.588	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	5.3	178	0	0	0	0	0	115.9	E1062 K1071	E1062-G1069 PolarHBondContact O-N 2.86Å; G1069-K1071 PolarHBondContact O-N 2.89Å
1070	A	79.2	Confident	68.7	Low	31 Å²	31	57 Å²	57	26%	0.256	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-66.8	131.2	176.4	0	0	0	0	0	111.5	F1064 I1067 V1068 S1072	F1064-A1070 HydrophobicContact CB-CB 4.28Å; F1064-A1070 WeakPolarHBondContact CB-O 3.42Å; I1067-A1070 HydrophobicContact CB-CB 3.83Å; I1067-A1070 HydrophobicContact CG2-CB 3.98Å; V1068-A1070 PolarHBondContact O-N 2.84Å; A1070-S1072 PolarHBondContact O-N 2.93Å
1071	K	71.6	Confident	66.5	Low	149 Å²	149	63 Å²	63	65%	0.648	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-66.9	126.7	177.9	-72.5	-160.8	174	-162.4	0	110.7	G1069 D1077	G1069-K1071 PolarHBondContact O-N 2.89Å; K1071-D1077 IonicContact NZ-OD1 2.67Å; K1071-D1077 PolarHBondContact NZ-OD1 2.84Å
1072	S	70.8	Confident	64.3	Low	22 Å²	22	56.9 Å²	56.9	15%	0.154	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-57.2	145.1	165.3	171.7	0	0	0	0	110.9	A1070 Y1074 V1075	A1070-S1072 PolarHBondContact O-N 2.93Å; S1072-Y1074 PolarHBondContact O-N 3.13Å; S1072-Y1074 PolarHBondContact OG-N 2.93Å; S1072-V1075 PolarHBondContact O-N 2.67Å
1073	P	64.7	Low	61.6	Low	55 Å²	55	57.1 Å²	57.1	36%	0.357	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-20.7	175.3	-28.3	36	0	0	0	114.8	L777 Y784 F1064	L777-P1073 HydrophobicContact CD1-CB 3.89Å; L777-P1073 HydrophobicContact CD1-CG 3.97Å; L777-P1073 HydrophobicContact CD2-CB 3.84Å; Y784-P1073 HydrophobicContact CE2-CG 4.28Å; F1064-P1073 VanDerWaalsContact CE1-CD 3.49Å; F1064-P1073 HydrophobicContact CE1-CG 4.15Å; F1064-P1073 VanDerWaalsContact CZ-CD 3.44Å; F1064-P1073 HydrophobicContact CZ-CG 4.15Å
1074	Y	60.8	Low	59.1	Low	56 Å²	56	63.4 Å²	63.4	22%	0.22	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	14.3	177.9	-76.5	-60.2	0	0	0	115.6	K645 L777 D778 V779 S1072	K645-Y1074 PolarHBondContact NZ-O 3.1Å; L777-Y1074 HydrophobicContact CB-CE2 4.43Å; L777-Y1074 HydrophobicContact CD1-CE2 4.18Å; L777-Y1074 HydrophobicContact CD2-CD1 4.25Å; L777-Y1074 HydrophobicContact CD2-CD2 4.13Å; L777-Y1074 HydrophobicContact CD2-CE1 3.69Å; L777-Y1074 HydrophobicContact CD2-CE2 3.57Å; L777-Y1074 HydrophobicContact CD2-CG 4.43Å; L777-Y1074 WeakPolarHBondContact CD2-OH 3.46Å; L777-Y1074 HydrophobicContact CG-CD2 4.22Å; L777-Y1074 HydrophobicContact CG-CE1 4.33Å; L777-Y1074 HydrophobicContact CG-CE2 3.38Å; L777-Y1074 VanDerWaalsContact CG-CZ 3.43Å; L777-Y1074 VanDerWaalsContact CG-OH 3.28Å; L777-Y1074 WeakPolarHBondContact CG-OH 3.27Å; L777-Y1074 PolarHBondContact O-OH 3.4Å; L777-Y1074 VanDerWaalsContact O-OH 3.14Å; D778-Y1074 PolarHBondContact N-OH 3.47Å; D778-Y1074 WeakPolarHBondContact O-CE2 3.5Å; D778-Y1074 PolarHBondContact O-OH 3.45Å; D778-Y1074 VanDerWaalsContact O-OH 3.09Å; V779-Y1074 WeakPolarHBondContact CA-OH 3.22Å; V779-Y1074 PolarHBondContact N-OH 2.04Å; S1072-Y1074 PolarHBondContact O-N 3.13Å; S1072-Y1074 PolarHBondContact OG-N 2.93Å
1075	V	53.3	Low	56.8	Low	68 Å²	68	66.4 Å²	66.4	41%	0.412	40%	0.397	S	S	.	.			trans	33.8	105.2	169.3	-157.8	0	0	0	0	116.3	S1072 D1077	S1072-V1075 PolarHBondContact O-N 2.67Å; V1075-D1077 HydrophobicContact CG1-CB 3.73Å; V1075-D1077 WeakPolarHBondContact CG1-OD1 3.38Å; V1075-D1077 PolarHBondContact O-N 2.93Å
1076	D	48.1	Very low	54.7	Low	88 Å²	88	70.1 Å²	70.1	47%	0.471	41%	0.411	S	S	.	.			trans	-73	44	175.6	-73.5	1.2	0	0	0	113.7	K645 M1078	K645-D1076 WeakPolarHBondContact CE-OD1 3.38Å; K645-D1076 IonicContact NZ-OD1 3.71Å; K645-D1076 PolarHBondContact NZ-OD1 3.1Å; D1076-M1078 VanDerWaalsContact C-N 3.33Å; D1076-M1078 PolarHBondContact O-N 2.91Å
1077	D	42.1	Very low	52.3	Low	72 Å²	72	73.8 Å²	73.8	39%	0.385	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-86.2	11.6	-170.6	-91.8	17.3	0	0	0	114.8	K1071 V1075 G1079 A1080	K1071-D1077 IonicContact NZ-OD1 2.67Å; K1071-D1077 PolarHBondContact NZ-OD1 2.84Å; V1075-D1077 HydrophobicContact CG1-CB 3.73Å; V1075-D1077 WeakPolarHBondContact CG1-OD1 3.38Å; V1075-D1077 PolarHBondContact O-N 2.93Å; D1077-G1079 PolarHBondContact O-N 3.49Å; D1077-A1080 HydrophobicContact CB-CB 4.2Å; D1077-A1080 PolarHBondContact O-N 2.83Å; D1077-A1080 VanDerWaalsContact O-N 3.09Å
1078	M	41.4	Very low	50	Low	114 Å²	114	79 Å²	79	56%	0.562	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-63.6	-6.8	173.6	-81.2	-172.8	168.1	0	0	114.5	A1007 P1010 D1076	A1007-M1078 HydrophobicContact CB-CE 4.2Å; P1010-M1078 HydrophobicContact CG-SD 4.37Å; D1076-M1078 VanDerWaalsContact C-N 3.33Å; D1076-M1078 PolarHBondContact O-N 2.91Å
1079	G	35.7	Very low	47.4	Very low	56 Å²	56	83.2 Å²	83.2	58%	0.577	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-106.3	-18.9	169	0	0	0	0	0	115.8	D1077 I1081 G1082	D1077-G1079 PolarHBondContact O-N 3.49Å; G1079-I1081 PolarHBondContact O-N 2.85Å; G1079-G1082 PolarHBondContact O-N 2.94Å
1080	A	35.9	Very low	45.2	Very low	28 Å²	28	87.9 Å²	87.9	23%	0.231	49%	0.491	C	S	.	.	H	α-helix	trans	-76.4	-18.9	-159.2	0	0	0	0	0	115.2	D1077 G1082 D1083 E1084	D1077-A1080 HydrophobicContact CB-CB 4.2Å; D1077-A1080 PolarHBondContact O-N 2.83Å; D1077-A1080 VanDerWaalsContact O-N 3.09Å; A1080-G1082 PolarHBondContact O-N 3.37Å; A1080-D1083 PolarHBondContact O-N 3.07Å; A1080-E1084 PolarHBondContact O-N 3.01Å
1081	I	38	Very low	43.2	Very low	150 Å²	150	93.5 Å²	93.5	77%	0.769	51%	0.514	S	S	*	.	H	α-helix	trans	-64.1	-22.5	179.7	-59.8	176.7	0	0	0	111.8	G1079	G1079-I1081 PolarHBondContact O-N 2.85Å
1082	G	32.1	Very low	41.5	Very low	41 Å²	41	94.7 Å²	94.7	42%	0.423	52%	0.52	S	S	.	.	H	α-helix	trans	-77.3	-44.9	167.5	0	0	0	0	0	113.2	G1079 A1080 V1085 I1086	G1079-G1082 PolarHBondContact O-N 2.94Å; A1080-G1082 PolarHBondContact O-N 3.37Å; G1082-V1085 PolarHBondContact O-N 3.22Å; G1082-I1086 WeakPolarHBondContact O-CG1 3.25Å; G1082-I1086 PolarHBondContact O-N 3.11Å
1083	D	31.4	Very low	40.1	Very low	96 Å²	96	99.3 Å²	99.3	51%	0.513	55%	0.552	S	S	.	*	H	α-helix	trans	-83.3	-22.1	-170.4	-84.1	-27.9	0	0	0	115	A1080 V1085 I1086 T1087	A1080-D1083 PolarHBondContact O-N 3.07Å; D1083-V1085 PolarHBondContact O-N 2.89Å; D1083-I1086 PolarHBondContact O-N 2.91Å; D1083-T1087 WeakPolarHBondContact O-CB 3.3Å; D1083-T1087 WeakPolarHBondContact O-CG2 3.18Å; D1083-T1087 PolarHBondContact O-N 3.44Å; D1083-T1087 PolarHBondContact O-OG1 3.33Å
1084	E	33.9	Very low	39.3	Very low	132 Å²	132	100 Å²	100	62%	0.617	56%	0.562	S	S	*	*	H	α-helix	trans	-64	-34.2	165.6	-72.8	-155.1	135.8	0	0	111.2	A1080 T1087 L1088	A1080-E1084 PolarHBondContact O-N 3.01Å; E1084-T1087 WeakPolarHBondContact CA-OG1 3.23Å; E1084-T1087 PolarHBondContact O-OG1 2.83Å; E1084-L1088 WeakPolarHBondContact O-CB 3.23Å; E1084-L1088 PolarHBondContact O-N 2.93Å; E1084-L1088 VanDerWaalsContact O-N 3.08Å
1085	V	36.3	Very low	38.7	Very low	93 Å²	93	102 Å²	102	56%	0.564	58%	0.583	S	S	*	*	H	α-helix	trans	-73.5	-32.4	175.6	-177.5	0	0	0	0	111.6	G1082 D1083 N1089	G1082-V1085 PolarHBondContact O-N 3.22Å; D1083-V1085 PolarHBondContact O-N 2.89Å; V1085-N1089 PolarHBondContact O-ND2 3.43Å
1086	I	34.9	Very low	38.7	Very low	99 Å²	99	103.5 Å²	103.5	51%	0.508	59%	0.592	S	S	.	*	H	α-helix	trans	-77.2	-41.2	176.4	-67.4	168.6	0	0	0	111.3	G1082 D1083 N1089 M1090	G1082-I1086 WeakPolarHBondContact O-CG1 3.25Å; G1082-I1086 PolarHBondContact O-N 3.11Å; D1083-I1086 PolarHBondContact O-N 2.91Å; I1086-N1089 CarbonylContact O-C 3.54Å; I1086-N1089 WeakPolarHBondContact O-CA 3.27Å; I1086-N1089 WeakPolarHBondContact O-CB 3.48Å; I1086-N1089 PolarHBondContact O-N 3.1Å; I1086-M1090 PolarHBondContact O-N 2.9Å
1087	T	33	Very low	39	Very low	81 Å²	81	102 Å²	102	50%	0.497	60%	0.597	S	S	.	*	H	α-helix	trans	-68.4	-36.5	177.9	51.6	0	0	0	0	112.6	D1083 E1084 N1089 M1090	D1083-T1087 WeakPolarHBondContact O-CB 3.3Å; D1083-T1087 WeakPolarHBondContact O-CG2 3.18Å; D1083-T1087 PolarHBondContact O-N 3.44Å; D1083-T1087 PolarHBondContact O-OG1 3.33Å; E1084-T1087 WeakPolarHBondContact CA-OG1 3.23Å; E1084-T1087 PolarHBondContact O-OG1 2.83Å; T1087-N1089 PolarHBondContact O-N 3.14Å; T1087-M1090 PolarHBondContact O-N 2.79Å
1088	L	37.3	Very low	39.9	Very low	142 Å²	142	103.4 Å²	103.4	74%	0.743	61%	0.61	S	S	*	*	H	α-helix	trans	-58.8	-30.4	168.3	-112.1	74.4	0	0	0	112.8	E1084	E1084-L1088 WeakPolarHBondContact O-CB 3.23Å; E1084-L1088 PolarHBondContact O-N 2.93Å; E1084-L1088 VanDerWaalsContact O-N 3.08Å
1089	N	33.1	Very low	41	Very low	118 Å²	118	102.4 Å²	102.4	63%	0.631	61%	0.61	S	S	*	*	H	α-helix	trans	-85.6	-11.9	176.8	-82.4	-74.7	0	0	0	113.9	V1085 I1086 T1087	V1085-N1089 PolarHBondContact O-ND2 3.43Å; I1086-N1089 CarbonylContact O-C 3.54Å; I1086-N1089 WeakPolarHBondContact O-CA 3.27Å; I1086-N1089 WeakPolarHBondContact O-CB 3.48Å; I1086-N1089 PolarHBondContact O-N 3.1Å; T1087-N1089 PolarHBondContact O-N 3.14Å
1090	M	35.4	Very low	42.3	Very low	155 Å²	155	101.9 Å²	101.9	76%	0.764	60%	0.6	S	S	*	*	H	α-helix	trans	-89.2	-11.6	-179.4	-132.2	178.8	-178.2	0	0	113.9	I1086 T1087 K1092	I1086-M1090 PolarHBondContact O-N 2.9Å; T1087-M1090 PolarHBondContact O-N 2.79Å; M1090-K1092 PolarHBondContact O-N 2.98Å
1091	I	37.9	Very low	44	Very low	148 Å²	148	102.8 Å²	102.8	76%	0.759	61%	0.612	S	S	*	*			trans	-79.4	65.9	170.8	-47.4	-177.4	0	0	0	110.6
1092	K	34.9	Very low	45.7	Very low	174 Å²	174	97.4 Å²	97.4	76%	0.757	59%	0.594	S	S	*	*			trans	-108.3	136.5	161.3	-91.5	178.2	177.4	166.8	0	110.4	M1090	M1090-K1092 PolarHBondContact O-N 2.98Å
1093	S	41.6	Very low	48	Very low	120 Å²	120	100.2 Å²	100.2	84%	0.839	60%	0.598	S	S	*	*			trans	61.7	54.4	172.2	48.3	0	0	0	0	117.7
1094	A	47.4	Very low	50.2	Low	69 Å²	69	101.7 Å²	101.7	57%	0.57	60%	0.603	S	S	*	*			trans	-67.2	138.5	134	0	0	0	0	0	108.6	V1096	A1094-V1096 HydrophobicContact CB-CG2 4.33Å; A1094-V1096 PolarHBondContact O-N 3.29Å
1095	P	48.3	Very low	52.6	Low	99 Å²	99	96.9 Å²	96.9	64%	0.643	59%	0.59	S	S	*	*			trans	-80	61.6	-173	33.2	-36.9	0	0	0	112.6	G1097 P1098	P1095-G1097 VanDerWaalsContact C-N 3.31Å; P1095-G1097 PolarHBondContact O-N 3.21Å; P1095-P1098 WeakPolarHBondContact O-CD 3.5Å
1096	V	54.2	Low	54.6	Low	99 Å²	99	96.4 Å²	96.4	60%	0.6	59%	0.589	S	S	*	*	H	α-helix	trans	-67.8	-31.6	179.7	-176.4	0	0	0	0	111.7	A1094 V1099 A1100	A1094-V1096 HydrophobicContact CB-CG2 4.33Å; A1094-V1096 PolarHBondContact O-N 3.29Å; V1096-V1099 PolarHBondContact O-N 2.86Å; V1096-A1100 HydrophobicContact CG1-CB 4.4Å; V1096-A1100 VanDerWaalsContact O-CB 3.29Å; V1096-A1100 WeakPolarHBondContact O-CB 3.37Å; V1096-A1100 PolarHBondContact O-N 3.43Å
1097	G	54.7	Low	57	Low	56 Å²	56	96 Å²	96	58%	0.577	59%	0.587	S	S	*	*	H	α-helix	trans	-54.8	-56.9	-178.1	0	0	0	0	0	114.5	P1095 V1099 G1101	P1095-G1097 VanDerWaalsContact C-N 3.31Å; P1095-G1097 PolarHBondContact O-N 3.21Å; G1097-V1099 VanDerWaalsContact C-N 3.34Å; G1097-V1099 PolarHBondContact O-N 2.87Å; G1097-G1101 PolarHBondContact O-N 2.9Å
1098	P	61	Low	59.5	Low	102 Å²	102	98.2 Å²	98.2	66%	0.662	59%	0.593	S	S	*	*	H	α-helix	trans	-59.2	-38.6	177	-27.7	35.7	0	0	0	114.2	P1095 G1102	P1095-P1098 WeakPolarHBondContact O-CD 3.5Å; P1098-G1102 PolarHBondContact O-N 2.91Å
1099	V	63.2	Low	61.8	Low	92 Å²	92	96.1 Å²	96.1	56%	0.558	59%	0.587	S	S	*	*	H	α-helix	trans	-73.8	-47.5	-177.5	-177	0	0	0	0	111.1	V1096 G1097 G1101 G1102 I1103	V1096-V1099 PolarHBondContact O-N 2.86Å; G1097-V1099 VanDerWaalsContact C-N 3.34Å; G1097-V1099 PolarHBondContact O-N 2.87Å; V1099-G1101 VanDerWaalsContact C-N 3.33Å; V1099-G1101 PolarHBondContact O-N 3.34Å; V1099-G1102 PolarHBondContact O-N 2.83Å; V1099-I1103 HydrophobicContact CG1-CD1 4.03Å; V1099-I1103 WeakPolarHBondContact O-CG1 3.13Å; V1099-I1103 PolarHBondContact O-N 3.02Å
1100	A	64.4	Low	64.2	Low	46 Å²	46	96 Å²	96	38%	0.38	59%	0.585	S	S	.	*	H	α-helix	trans	-63.9	-39.1	175.1	0	0	0	0	0	111.7	V1096 I1103 M1104	V1096-A1100 HydrophobicContact CG1-CB 4.4Å; V1096-A1100 VanDerWaalsContact O-CB 3.29Å; V1096-A1100 WeakPolarHBondContact O-CB 3.37Å; V1096-A1100 PolarHBondContact O-N 3.43Å; A1100-I1103 PolarHBondContact O-N 3.46Å; A1100-M1104 WeakPolarHBondContact O-CB 3.36Å; A1100-M1104 VanDerWaalsContact O-CG 3.28Å; A1100-M1104 WeakPolarHBondContact O-CG 3.33Å; A1100-M1104 PolarHBondContact O-N 3.02Å
1101	G	70.6	Confident	66.6	Low	46 Å²	46	92.9 Å²	92.9	47%	0.474	58%	0.575	S	S	.	*	H	α-helix	trans	-62.5	-41.5	173	0	0	0	0	0	112.8	G1097 V1099 G1105	G1097-G1101 PolarHBondContact O-N 2.9Å; V1099-G1101 VanDerWaalsContact C-N 3.33Å; V1099-G1101 PolarHBondContact O-N 3.34Å; G1101-G1105 PolarHBondContact O-N 2.98Å
1102	G	74	Confident	68.8	Low	38 Å²	38	90.8 Å²	90.8	39%	0.392	57%	0.565	S	S	.	*	H	α-helix	trans	-62.7	-47.1	173.9	0	0	0	0	0	112.8	P1098 V1099 G1105 C1106	P1098-G1102 PolarHBondContact O-N 2.91Å; V1099-G1102 PolarHBondContact O-N 2.83Å; G1102-G1105 PolarHBondContact O-N 2.91Å; G1102-C1106 PolarHBondContact O-N 3.06Å; G1102-C1106 PolarHBondContact O-SG 2.9Å; G1102-C1106 VanDerWaalsContact O-SG 3.39Å
1103	I	79.5	Confident	70.9	Confident	99 Å²	99	85 Å²	85	51%	0.508	55%	0.549	S	S	.	.	H	α-helix	trans	-62.6	-47.5	177.8	-67.5	165.7	0	0	0	110.8	V1099 A1100 G1105 C1106 I1107	V1099-I1103 HydrophobicContact CG1-CD1 4.03Å; V1099-I1103 WeakPolarHBondContact O-CG1 3.13Å; V1099-I1103 PolarHBondContact O-N 3.02Å; A1100-I1103 PolarHBondContact O-N 3.46Å; I1103-G1105 VanDerWaalsContact C-N 3.3Å; I1103-G1105 PolarHBondContact O-N 3.23Å; I1103-C1106 PolarHBondContact O-N 3.47Å; I1103-I1107 HydrophobicContact CG2-CD1 3.89Å; I1103-I1107 WeakPolarHBondContact O-CG1 3.11Å; I1103-I1107 PolarHBondContact O-N 3.33Å
1104	M	79.1	Confident	72.8	Confident	127 Å²	127	83.4 Å²	83.4	63%	0.626	53%	0.534	S	S	*	.	H	α-helix	trans	-61.9	-37.1	175.4	-73.9	-70.8	-75.2	0	0	112.3	A1100 I1107 M1108	A1100-M1104 WeakPolarHBondContact O-CB 3.36Å; A1100-M1104 VanDerWaalsContact O-CG 3.28Å; A1100-M1104 WeakPolarHBondContact O-CG 3.33Å; A1100-M1104 PolarHBondContact O-N 3.02Å; M1104-I1107 PolarHBondContact O-N 3.26Å; M1104-M1108 WeakPolarHBondContact O-CB 3.24Å; M1104-M1108 PolarHBondContact O-N 3.37Å
1105	G	82.6	Confident	74.4	Confident	32 Å²	32	87.5 Å²	87.5	33%	0.33	54%	0.536	S	S	.	.	H	α-helix	trans	-62.6	-48.2	173.7	0	0	0	0	0	112.6	G1101 G1102 I1103 I1107 M1108 V1109	G1101-G1105 PolarHBondContact O-N 2.98Å; G1102-G1105 PolarHBondContact O-N 2.91Å; I1103-G1105 VanDerWaalsContact C-N 3.3Å; I1103-G1105 PolarHBondContact O-N 3.23Å; G1105-I1107 VanDerWaalsContact C-N 3.33Å; G1105-I1107 PolarHBondContact O-N 2.88Å; G1105-M1108 WeakPolarHBondContact O-CB 3.49Å; G1105-M1108 PolarHBondContact O-N 3.38Å; G1105-V1109 WeakPolarHBondContact O-CG2 3.39Å; G1105-V1109 PolarHBondContact O-N 3.1Å
1106	C	80.3	Confident	75.7	Confident	83 Å²	83	85.2 Å²	85.2	56%	0.561	53%	0.526	S	S	*	.	H	α-helix	trans	-60.7	-40.1	175.5	-71	0	0	0	0	112.3	G1102 I1103 V1109 L1110	G1102-C1106 PolarHBondContact O-N 3.06Å; G1102-C1106 PolarHBondContact O-SG 2.9Å; G1102-C1106 VanDerWaalsContact O-SG 3.39Å; I1103-C1106 PolarHBondContact O-N 3.47Å; C1106-V1109 PolarHBondContact O-N 3.14Å; C1106-L1110 WeakPolarHBondContact O-CB 3.21Å; C1106-L1110 WeakPolarHBondContact O-CG 3.47Å; C1106-L1110 PolarHBondContact O-N 3.08Å
1107	I	84	Confident	76.7	Confident	91 Å²	91	88 Å²	88	47%	0.467	53%	0.526	S	S	.	.	H	α-helix	trans	-66	-44.9	175.6	-67.2	166.5	0	0	0	110.9	I1103 M1104 G1105 V1109 L1110 V1111	I1103-I1107 HydrophobicContact CG2-CD1 3.89Å; I1103-I1107 WeakPolarHBondContact O-CG1 3.11Å; I1103-I1107 PolarHBondContact O-N 3.33Å; M1104-I1107 PolarHBondContact O-N 3.26Å; G1105-I1107 VanDerWaalsContact C-N 3.33Å; G1105-I1107 PolarHBondContact O-N 2.88Å; I1107-V1109 PolarHBondContact O-N 3.34Å; I1107-L1110 PolarHBondContact O-N 2.04Å; I1107-V1111 HydrophobicContact CG2-CG2 4.45Å; I1107-V1111 WeakPolarHBondContact O-CB 3.29Å; I1107-V1111 WeakPolarHBondContact O-CG2 3.4Å; I1107-V1111 PolarHBondContact O-N 3.22Å
1108	M	85.2	Confident	77.6	Confident	126 Å²	126	94.4 Å²	94.4	62%	0.621	53%	0.533	S	S	*	.	H	α-helix	trans	-56.4	-46.5	173.2	-97	-79.1	-170.8	0	0	112.1	M1104 G1105 V1111 L1112	M1104-M1108 WeakPolarHBondContact O-CB 3.24Å; M1104-M1108 PolarHBondContact O-N 3.37Å; G1105-M1108 WeakPolarHBondContact O-CB 3.49Å; G1105-M1108 PolarHBondContact O-N 3.38Å; M1108-V1111 PolarHBondContact O-N 2.9Å; M1108-L1112 WeakPolarHBondContact O-CB 3.42Å; M1108-L1112 WeakPolarHBondContact O-CG 3.47Å; M1108-L1112 PolarHBondContact O-N 2.85Å
1109	V	86	Confident	77.8	Confident	99 Å²	99	94.4 Å²	94.4	60%	0.6	52%	0.524	S	S	*	.	H	α-helix	trans	-65	-42	178.8	170.9	0	0	0	0	111.3	G1105 C1106 I1107 L1112 A1113	G1105-V1109 WeakPolarHBondContact O-CG2 3.39Å; G1105-V1109 PolarHBondContact O-N 3.1Å; C1106-V1109 PolarHBondContact O-N 3.14Å; I1107-V1109 PolarHBondContact O-N 3.34Å; V1109-L1112 PolarHBondContact O-N 3.4Å; V1109-A1113 VanDerWaalsContact O-CB 3.29Å; V1109-A1113 WeakPolarHBondContact O-CB 3.4Å; V1109-A1113 PolarHBondContact O-N 3.37Å
1110	L	84.6	Confident	77.9	Confident	114 Å²	114	95.9 Å²	95.9	60%	0.597	53%	0.525	S	S	*	.	H	α-helix	trans	-63.2	-43.6	174.6	-81.4	166	0	0	0	112.3	C1106 I1107 A1113 V1114	C1106-L1110 WeakPolarHBondContact O-CB 3.21Å; C1106-L1110 WeakPolarHBondContact O-CG 3.47Å; C1106-L1110 PolarHBondContact O-N 3.08Å; I1107-L1110 PolarHBondContact O-N 2.04Å; L1110-A1113 PolarHBondContact O-N 3.22Å; L1110-V1114 WeakPolarHBondContact O-CB 3.3Å; L1110-V1114 WeakPolarHBondContact O-CG2 3.29Å; L1110-V1114 PolarHBondContact O-N 3.25Å
1111	V	85.6	Confident	77.8	Confident	91 Å²	91	97.8 Å²	97.8	55%	0.552	53%	0.528	S	S	*	.	H	α-helix	trans	-63.3	-43.4	176.6	169.8	0	0	0	0	111.1	I1107 M1108 V1114 Y1115	I1107-V1111 HydrophobicContact CG2-CG2 4.45Å; I1107-V1111 WeakPolarHBondContact O-CB 3.29Å; I1107-V1111 WeakPolarHBondContact O-CG2 3.4Å; I1107-V1111 PolarHBondContact O-N 3.22Å; M1108-V1111 PolarHBondContact O-N 2.9Å; V1111-V1114 PolarHBondContact O-N 3.22Å; V1111-Y1115 VanDerWaalsContact O-CB 3.26Å; V1111-Y1115 WeakPolarHBondContact O-CB 3.37Å; V1111-Y1115 PolarHBondContact O-N 2.86Å
1112	L	83.8	Confident	77	Confident	104 Å²	104	102 Å²	102	55%	0.545	54%	0.535	S	S	.	.	H	α-helix	trans	-65.4	-38.3	175.3	-74.9	168	0	0	0	112.4	M1108 V1109 Y1115 A1116	M1108-L1112 WeakPolarHBondContact O-CB 3.42Å; M1108-L1112 WeakPolarHBondContact O-CG 3.47Å; M1108-L1112 PolarHBondContact O-N 2.85Å; V1109-L1112 PolarHBondContact O-N 3.4Å; L1112-Y1115 PolarHBondContact O-N 3.39Å; L1112-A1116 VanDerWaalsContact O-CB 3.28Å; L1112-A1116 WeakPolarHBondContact O-CB 3.49Å; L1112-A1116 PolarHBondContact O-N 3.38Å
1113	A	78	Confident	75.9	Confident	53 Å²	53	110.1 Å²	110.1	44%	0.438	55%	0.554	S	S	.	*	H	α-helix	trans	-66.1	-44.6	176.2	0	0	0	0	0	111.7	V1109 L1110 A1116 Y1117	V1109-A1113 VanDerWaalsContact O-CB 3.29Å; V1109-A1113 WeakPolarHBondContact O-CB 3.4Å; V1109-A1113 PolarHBondContact O-N 3.37Å; L1110-A1113 PolarHBondContact O-N 3.22Å; A1113-A1116 PolarHBondContact O-N 3.3Å; A1113-Y1117 VanDerWaalsContact O-CB 3.24Å; A1113-Y1117 WeakPolarHBondContact O-CB 3.49Å; A1113-Y1117 PolarHBondContact O-N 2.7Å
1114	V	82.3	Confident	74.4	Confident	86 Å²	86	115.2 Å²	115.2	52%	0.521	57%	0.567	S	S	.	*	H	α-helix	trans	-66.1	-38.3	175.7	171	0	0	0	0	111.5	L1110 V1111 R1118	L1110-V1114 WeakPolarHBondContact O-CB 3.3Å; L1110-V1114 WeakPolarHBondContact O-CG2 3.29Å; L1110-V1114 PolarHBondContact O-N 3.25Å; V1111-V1114 PolarHBondContact O-N 3.22Å; V1114-R1118 WeakPolarHBondContact O-CB 3.26Å; V1114-R1118 PolarHBondContact O-N 2.58Å
1115	Y	81.5	Confident	72.8	Confident	154 Å²	154	113.2 Å²	113.2	60%	0.604	57%	0.565	S	S	*	*	H	α-helix	trans	-63.4	-49.5	173.9	-179.5	-94.6	0	0	0	111.4	V1111 L1112 Y1117 R1118 H1119	V1111-Y1115 VanDerWaalsContact O-CB 3.26Å; V1111-Y1115 WeakPolarHBondContact O-CB 3.37Å; V1111-Y1115 PolarHBondContact O-N 2.86Å; L1112-Y1115 PolarHBondContact O-N 3.39Å; Y1115-Y1117 PolarHBondContact O-N 3.21Å; Y1115-R1118 PolarHBondContact O-N 2.89Å; Y1115-H1119 VanDerWaalsContact O-CB 3.26Å; Y1115-H1119 WeakPolarHBondContact O-CB 3.49Å; Y1115-H1119 PolarHBondContact O-N 2.85Å
1116	A	74.9	Confident	70.7	Confident	52 Å²	52	119.5 Å²	119.5	43%	0.43	59%	0.586	S	S	.	*	H	α-helix	trans	-60.6	-44.5	176.8	0	0	0	0	0	111.8	L1112 A1113 H1119 Q1120	L1112-A1116 VanDerWaalsContact O-CB 3.28Å; L1112-A1116 WeakPolarHBondContact O-CB 3.49Å; L1112-A1116 PolarHBondContact O-N 3.38Å; A1113-A1116 PolarHBondContact O-N 3.3Å; A1116-H1119 PolarHBondContact O-N 3.13Å; A1116-Q1120 VanDerWaalsContact O-CB 3.25Å; A1116-Q1120 WeakPolarHBondContact O-CB 3.02Å; A1116-Q1120 PolarHBondContact O-N 3.01Å
1117	Y	76.3	Confident	68.6	Low	156 Å²	156	123.6 Å²	123.6	61%	0.612	60%	0.596	S	S	*	*	H	α-helix	trans	-61	-48.2	177.4	-176.5	-110.6	0	0	0	112.1	A1113 Y1115 Q1120 I1121	A1113-Y1117 VanDerWaalsContact O-CB 3.24Å; A1113-Y1117 WeakPolarHBondContact O-CB 3.49Å; A1113-Y1117 PolarHBondContact O-N 2.7Å; Y1115-Y1117 PolarHBondContact O-N 3.21Å; Y1117-Q1120 PolarHBondContact O-N 3.29Å; Y1117-I1121 HydrophobicContact CD1-CD1 4Å; Y1117-I1121 HydrophobicContact CD2-CD1 4.5Å; Y1117-I1121 HydrophobicContact CE1-CD1 3.52Å; Y1117-I1121 HydrophobicContact CE2-CD1 4.08Å; Y1117-I1121 HydrophobicContact CG-CD1 4.46Å; Y1117-I1121 WeakPolarHBondContact O-CG1 3.35Å; Y1117-I1121 PolarHBondContact O-N 3.08Å
1118	R	72.9	Confident	66.2	Low	192 Å²	192	128.3 Å²	128.3	73%	0.725	62%	0.616	S	S	*	*	H	α-helix	trans	-60.5	-46.1	173.6	-82.4	-171.5	166	-162.2	-3.4	111.8	V1114 Y1115 Q1120 I1121 H1122	V1114-R1118 WeakPolarHBondContact O-CB 3.26Å; V1114-R1118 PolarHBondContact O-N 2.58Å; Y1115-R1118 PolarHBondContact O-N 2.89Å; R1118-Q1120 VanDerWaalsContact C-N 3.27Å; R1118-Q1120 PolarHBondContact O-N 3.24Å; R1118-I1121 PolarHBondContact O-N 3.2Å; R1118-H1122 WeakPolarHBondContact O-CB 3.43Å; R1118-H1122 PolarHBondContact O-N 3.26Å
1119	H	65.9	Low	63.5	Low	102 Å²	102	130.2 Å²	130.2	47%	0.472	63%	0.625	S	S	.	*	H	α-helix	trans	-64.3	-30.9	178.8	-169.7	-66.4	0	0	0	112.4	Y1115 A1116 R1123	Y1115-H1119 VanDerWaalsContact O-CB 3.26Å; Y1115-H1119 WeakPolarHBondContact O-CB 3.49Å; Y1115-H1119 PolarHBondContact O-N 2.85Å; A1116-H1119 PolarHBondContact O-N 3.13Å; H1119-R1123 WeakPolarHBondContact O-CB 3.09Å; H1119-R1123 PolarHBondContact O-N 3.44Å
1120	Q	65.4	Low	60.7	Low	122 Å²	122	130 Å²	130	57%	0.57	63%	0.628	S	S	*	*	H	α-helix	trans	-77.4	-36.5	177.7	-167.2	169.6	11.3	0	0	112.4	A1116 Y1117 R1118	A1116-Q1120 VanDerWaalsContact O-CB 3.25Å; A1116-Q1120 WeakPolarHBondContact O-CB 3.02Å; A1116-Q1120 PolarHBondContact O-N 3.01Å; Y1117-Q1120 PolarHBondContact O-N 3.29Å; R1118-Q1120 VanDerWaalsContact C-N 3.27Å; R1118-Q1120 PolarHBondContact O-N 3.24Å
1121	I	61.9	Low	59.2	Low	87 Å²	87	129.6 Å²	129.6	45%	0.446	63%	0.633	S	S	.	*	H	α-helix	trans	-65.9	-47.9	171	-72.2	173.5	0	0	0	110.7	Y1117 R1118 R1123 R1124 S1125	Y1117-I1121 HydrophobicContact CD1-CD1 4Å; Y1117-I1121 HydrophobicContact CD2-CD1 4.5Å; Y1117-I1121 HydrophobicContact CE1-CD1 3.52Å; Y1117-I1121 HydrophobicContact CE2-CD1 4.08Å; Y1117-I1121 HydrophobicContact CG-CD1 4.46Å; Y1117-I1121 WeakPolarHBondContact O-CG1 3.35Å; Y1117-I1121 PolarHBondContact O-N 3.08Å; R1118-I1121 PolarHBondContact O-N 3.2Å; I1121-R1123 PolarHBondContact O-N 3.43Å; I1121-R1124 PolarHBondContact O-N 3.34Å; I1121-S1125 PolarHBondContact O-N 3.16Å
1122	H	54.4	Low	56.5	Low	134 Å²	134	133 Å²	133	62%	0.62	65%	0.647	S	S	*	*	H	α-helix	trans	-64.8	-15.4	-177.8	-141.9	-52	0	0	0	113.6	R1118	R1118-H1122 WeakPolarHBondContact O-CB 3.43Å; R1118-H1122 PolarHBondContact O-N 3.26Å
1123	R	49.9	Very low	54.1	Low	208 Å²	208	132.4 Å²	132.4	79%	0.785	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-9.7	174.1	-153.9	175.6	-169.5	-176	3.9	113.7	H1119 I1121	H1119-R1123 WeakPolarHBondContact O-CB 3.09Å; H1119-R1123 PolarHBondContact O-N 3.44Å; I1121-R1123 PolarHBondContact O-N 3.43Å
1124	R	48.5	Very low	51.7	Low	206 Å²	206	134.3 Å²	134.3	78%	0.777	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	-24.4	174.9	-80.7	-175.8	166.5	178.3	-3.9	113.7	I1121 H1126	I1121-R1124 PolarHBondContact O-N 3.34Å; R1124-H1126 VanDerWaalsContact C-N 3.25Å; R1124-H1126 PolarHBondContact O-N 3.23Å
1125	S	43.9	Very low	49.5	Very low	85 Å²	85	138.2 Å²	138.2	59%	0.594	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	12.1	-174.3	64.7	0	0	0	0	115.9	I1121	I1121-S1125 PolarHBondContact O-N 3.16Å
1126	H	38.8	Very low	47.3	Very low	165 Å²	165	138.6 Å²	138.6	76%	0.764	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.9	9.6	-174.3	-105.7	-61	0	0	0	114.9	R1124	R1124-H1126 VanDerWaalsContact C-N 3.25Å; R1124-H1126 PolarHBondContact O-N 3.23Å
1127	Q	37.1	Very low	45.1	Very low	168 Å²	168	143.3 Å²	143.3	79%	0.785	71%	0.708	S	S	*	*	S	Bend	trans	-111.5	115.7	176.8	-75.1	-173.5	-39.8	0	0	112
1128	H	33.4	Very low	43	Very low	190 Å²	190	140.7 Å²	140.7	88%	0.88	71%	0.712	S	S	*	*			trans	75.7	145.4	172.2	-59.1	-73.7	0	0	0	118.6
1129	M	29.4	Very low	41	Very low	166 Å²	166	137.3 Å²	137.3	82%	0.818	71%	0.712	S	S	*	*			trans	-150.6	122.6	-159.3	-172	-175.8	83.6	0	0	109.2
1130	S	27.2	Very low	39.2	Very low	95 Å²	95	143.3 Å²	143.3	66%	0.664	73%	0.731	S	S	*	*			trans	64.5	-179.9	156.2	70.9	0	0	0	0	117.7
1131	P	51.5	Low	37.4	Very low	106 Å²	106	145.9 Å²	145.9	69%	0.688	75%	0.745	S	S	*	*				-140	-168.2	-64.5	41.1	-24.2	0	0	0	115.1
1132	L	29	Very low	35.8	Very low	161 Å²	161	146 Å²	146	84%	0.843	75%	0.754	S	S	*	*			trans	85.3	92.5	155.1	-68.6	164.8	0	0	0	122.2
1133	A	33.2	Very low	34.6	Very low	92 Å²	92	146.5 Å²	146.5	76%	0.76	76%	0.761	S	S	*	*				53.7	150.1	112.7	0	0	0	0	0	125.6
1134	A	28.9	Very low	33.8	Very low	93 Å²	93	142.1 Å²	142.1	77%	0.769	75%	0.753	S	S	*	*			trans	77.7	147.1	157.9	0	0	0	0	0	120.2
1135	Q	34.5	Very low	33.2	Very low	169 Å²	169	140.1 Å²	140.1	79%	0.79	75%	0.752	S	S	*	*			cis	-168.4	171.4	-23.6	-163.1	166.3	-67.4	0	0	111.1
1136	E	35.2	Very low	32.6	Very low	161 Å²	161	141.9 Å²	141.9	75%	0.752	76%	0.755	S	S	*	*			trans	77.8	157.4	166.4	-43.3	-164.5	143.5	0	0	117.3
1137	M	29.2	Very low	32.9	Very low	152 Å²	152	140.5 Å²	140.5	75%	0.749	75%	0.753	S	S	*	*			cis	-161.5	141.4	17.5	-165.5	166.3	52.5	0	0	115
1138	S	33	Very low	32.9	Very low	101 Å²	101	143.2 Å²	143.2	71%	0.706	76%	0.756	S	S	*	*			trans	66.5	154.9	149.6	70.9	0	0	0	0	122.4
1139	V	30.8	Very low	32.7	Very low	120 Å²	120	140.4 Å²	140.4	73%	0.727	75%	0.747	S	S	*	*			cis	-163.6	143.8	-11.1	126.3	0	0	0	0	113.9
1140	R	28.1	Very low	32.7	Very low	228 Å²	228	142.3 Å²	142.3	86%	0.86	75%	0.754	S	S	*	*			trans	44.1	124.5	156.3	-70	179.2	167.7	134	-1.1	124
1141	M	26.8	Very low	33	Very low	176 Å²	176	148.1 Å²	148.1	87%	0.867	76%	0.762	S	S	*	*				-142.4	154.2	102.7	-164.2	61.2	78.7	0	0	110
1142	S	29.3	Very low	31.9	Very low	90 Å²	90	148.9 Å²	148.9	63%	0.629	76%	0.76	S	S	*	*			trans	-65.5	155.6	-176.5	49.6	0	0	0	0	114.8
1143	N	28.9	Very low	31.7	Very low	145 Å²	145	148 Å²	148	78%	0.775	76%	0.756	S	S	*	*			cis	-170.4	167.9	-2	-106	22	0	0	0	107.4
1144	L	32.3	Very low	31.3	Very low	116 Å²	116	150.1 Å²	150.1	61%	0.607	76%	0.755	S	S	*	*			cis	-173.3	120.6	-24.4	173.4	142.9	0	0	0	108.5
1145	E	36.3	Very low	31.1	Very low	164 Å²	164	150.2 Å²	150.2	77%	0.766	75%	0.75	S	S	*	*			trans	53.6	142.4	158.3	-66	155	-162.9	0	0	120.7
1146	N	32.5	Very low	30.8	Very low	122 Å²	122	150 Å²	150	65%	0.652	75%	0.749	S	S	*	*			cis	-146.5	137.4	14.9	-157	77.1	0	0	0	115.1
1147	D	44.9	Very low	30.3	Very low	135 Å²	135	149.8 Å²	149.8	72%	0.722	75%	0.747	S	S	*	*			trans	26.6	111.4	159.7	-51	-24.2	0	0	0	122.3
1148	R	37.1	Very low	30.2	Very low	225 Å²	225	147.5 Å²	147.5	85%	0.849	74%	0.738	S	S	*	*				-167.7	144.5	118	-117.3	-167.4	164.3	106.8	-0.2	115.6
1149	D	29.5	Very low	29.9	Very low	131 Å²	131	153.3 Å²	153.3	70%	0.701	75%	0.745	S	S	*	*			trans	22.5	100	147.8	-52.1	-38.1	0	0	0	117.5
1150	E	28	Very low	29.6	Very low	206 Å²	206	150.9 Å²	150.9	96%	0.963	74%	0.744	S	S	*	*			trans	-66.2	156.1	170.4	-74.8	-175.8	139.2	0	0	112.7
1151	R	34.2	Very low	29.4	Very low	218 Å²	218	147.6 Å²	147.6	82%	0.823	74%	0.742	S	S	*	*			trans	-129	-157.6	-165.6	-160.8	-157.4	-101.9	-178.9	-3.5	108.6
1152	D	27.9	Very low	29.4	Very low	122 Å²	122	146.2 Å²	146.2	65%	0.652	74%	0.737	S	S	*	*			trans	73.4	139.2	154.3	-53.3	-19.4	0	0	0	117.1
1153	D	25.5	Very low	29.3	Very low	141 Å²	141	147.1 Å²	147.1	75%	0.754	74%	0.743	S	S	*	*			cis	-163	-166.9	-22.3	-143.6	-29.3	0	0	0	110.5
1154	D	23.8	Very low	29.2	Very low	137 Å²	137	147.1 Å²	147.1	73%	0.733	74%	0.743	S	S	*	*			trans	90.3	137.6	136.5	-97.8	-32.5	0	0	0	123.8
1155	S	25.3	Very low	28.9	Very low	96 Å²	96	147.1 Å²	147.1	67%	0.671	75%	0.748	S	S	*	*			trans	68.3	129.1	156.3	65.8	0	0	0	0	120.3
1156	H	28.5	Very low	28.5	Very low	164 Å²	164	150.2 Å²	150.2	76%	0.759	75%	0.752	S	S	*	*				68.5	131.5	51.9	-73	-100.9	0	0	0	113.1
1157	E	25.5	Very low	28.1	Very low	156 Å²	156	154.1 Å²	154.1	73%	0.729	76%	0.764	S	S	*	*			cis	-161.7	178.2	5.7	-153.3	160.2	-111.7	0	0	113.2
1158	D	26.1	Very low	27.2	Very low	104 Å²	104	155.5 Å²	155.5	56%	0.556	77%	0.769	S	S	*	*			trans	102.4	114.9	139.9	-138.8	29	0	0	0	123.6
1159	R	26.8	Very low	26.5	Very low	224 Å²	224	149.3 Å²	149.3	85%	0.845	77%	0.766	S	S	*	*			trans	55	123.9	146.9	-75.6	163.6	-173.5	123.6	3	124.9
1160	G	23.4	Very low	26.3	Very low	69 Å²	69	147.9 Å²	147.9	71%	0.711	77%	0.773	S	S	*	*				146.5	100.1	108.3	0	0	0	0	0	123.9
1161	I	25.5	Very low	26.2	Very low	158 Å²	158	144.5 Å²	144.5	81%	0.81	77%	0.766	S	S	*	*			trans	74.2	106.6	132.8	-53.6	174.7	0	0	0	123.7
1162	I	27.2	Very low	25.8	Very low	148 Å²	148	141.4 Å²	141.4	76%	0.759	76%	0.764	S	S	*	*				32.7	123.9	128.7	-36	172.2	0	0	0	122.4
1163	S	25.1	Very low	25.7	Very low	108 Å²	108	143.7 Å²	143.7	76%	0.755	77%	0.771	S	S	*	*				158.2	120.4	111.8	55.8	0	0	0	0	120.2
1164	N	27.4	Very low	25.6	Very low	145 Å²	145	148.6 Å²	148.6	78%	0.775	78%	0.779	S	S	*	*			trans	50.9	137.8	130.2	-69.8	-5.3	0	0	0	128.2
1165	T	26.5	Very low	25.6	Very low	116 Å²	116	150.6 Å²	150.6	71%	0.712	78%	0.784	S	S	*	*			trans	101.4	126.5	130.5	36.9	0	0	0	0	125.9
1166	R	28.1	Very low	25.9	Very low	229 Å²	229	150.7 Å²	150.7	86%	0.864	79%	0.79	S	S	*	*			trans	72.9	132.1	151.6	-63.5	166.2	-175.4	-177.5	0.6	118.4
1167	F	23.4	Very low	25.7	Very low	204 Å²	204	151.3 Å²	151.3	90%	0.895	79%	0.793	S	S	*	*			cis	80.1	111.2	37	-92.6	-83.7	0	0	0	116.9
1168	I	26.1	Very low	25.6	Very low	164 Å²	164	148.2 Å²	148.2	84%	0.841	79%	0.788	S	S	*	*			trans	-179.8	162.4	135	-100.3	163.4	0	0	0	111.3
1169	A	23.7	Very low	25.7	Very low	95 Å²	95	147.9 Å²	147.9	79%	0.785	79%	0.792	S	S	*	*			trans	82.7	92.7	166.2	0	0	0	0	0	119.8
1170	A	25.1	Very low	25.7	Very low	102 Å²	102	144.2 Å²	144.2	84%	0.843	79%	0.785	S	S	*	*			trans	-152.3	96.2	148.8	0	0	0	0	0	109.4
1171	V	26	Very low	26.1	Very low	135 Å²	135	147.6 Å²	147.6	82%	0.818	78%	0.776	S	S	*	*			trans	-145.7	157.3	177.5	178.8	0	0	0	0	106.9
1172	I	25.6	Very low	26.1	Very low	153 Å²	153	149.6 Å²	149.6	79%	0.785	77%	0.773	S	S	*	*			trans	76	122.9	-161.1	-49.2	161.1	0	0	0	108.5
1173	E	24.4	Very low	26.3	Very low	169 Å²	169	152.4 Å²	152.4	79%	0.79	77%	0.774	S	S	*	*			cis	-124.7	160.4	16.7	-114	139.8	-130.9	0	0	112.4
1174	R	23.9	Very low	26.3	Very low	244 Å²	244	157.9 Å²	157.9	92%	0.921	78%	0.778	S	S	*	*			trans	-137.8	110.7	159.5	-80.8	-171	178.1	179.3	0.2	110.3
1175	H	24.8	Very low	26.3	Very low	179 Å²	179	159.8 Å²	159.8	83%	0.829	78%	0.776	S	S	*	*			trans	-128.3	129.3	160.6	-93.4	81.8	0	0	0	107.5
1176	A	30	Very low	26.2	Very low	98 Å²	98	165.9 Å²	165.9	81%	0.81	79%	0.786	S	S	*	*			trans	-106.5	76.2	-166.9	0	0	0	0	0	112.6
1177	H	24.7	Very low	26.1	Very low	178 Å²	178	158.4 Å²	158.4	82%	0.824	78%	0.78	S	S	*	*			trans	-138.4	153.3	170.3	-77.1	-29.8	0	0	0	112.3
1178	S	22.8	Very low	26.2	Very low	90 Å²	90	161 Å²	161	63%	0.629	78%	0.784	S	S	*	*			trans	68.8	135.3	-170.2	80.9	0	0	0	0	116.2	E1180	S1178-E1180 PolarHBondContact O-N 3.31Å
1179	P	28.2	Very low	26.2	Very low	97 Å²	97	158.4 Å²	158.4	63%	0.63	78%	0.78	S	S	*	*			trans	-88.1	42.3	170.4	37.6	-35.6	0	0	0	112	E530 R1181	E530-P1179 WeakPolarHBondContact OE1-CG 3.49Å; P1179-R1181 PolarHBondContact O-N 3.31Å
1180	E	28	Very low	26.5	Very low	148 Å²	148	157.5 Å²	157.5	69%	0.692	78%	0.781	S	S	*	*			trans	-70.4	69.1	172.6	-73.9	-151.4	146.2	0	0	111.8	S1178 R1182	S1178-E1180 PolarHBondContact O-N 3.31Å; E1180-R1182 PolarHBondContact O-N 3.11Å
1181	R	31.2	Very low	26.6	Very low	140 Å²	140	158.9 Å²	158.9	53%	0.528	78%	0.778	S	S	.	*			trans	-62.8	83.6	165.2	-99.7	-175.8	173.5	160.2	1.6	108.6	E974 P1179 R1183	E974-R1181 IonicContact OE2-CZ 3.47Å; E974-R1181 IonicContact OE2-NH1 2.78Å; E974-R1181 PolarHBondContact OE2-NH1 3.05Å; E974-R1181 IonicContact OE2-NH2 2.8Å; E974-R1181 PolarHBondContact OE2-NH2 3.49Å; P1179-R1181 PolarHBondContact O-N 3.31Å; R1181-R1183 PolarHBondContact O-N 3.46Å
1182	R	26.5	Very low	26.8	Very low	199 Å²	199	161.6 Å²	161.6	75%	0.751	78%	0.782	S	S	*	*			trans	-53.4	107	180	-77.2	179.4	168.4	175.8	-5.2	110.7	E1180 R1184	E1180-R1182 PolarHBondContact O-N 3.11Å; R1182-R1184 PolarHBondContact O-N 3.48Å
1183	R	31.2	Very low	27	Very low	208 Å²	208	160 Å²	160	79%	0.785	79%	0.785	S	S	*	*			trans	-57.8	92.4	172.3	-74.6	-175.6	173.2	-172.2	-3.3	110.7	R1181 Y1185	R1181-R1183 PolarHBondContact O-N 3.46Å; R1183-Y1185 PolarHBondContact O-N 3.08Å
1184	R	25.6	Very low	27.4	Very low	223 Å²	223	158.3 Å²	158.3	84%	0.842	78%	0.781	S	S	*	*			trans	-92.4	71.6	167.2	-76.1	-171.8	174.2	177.7	0.1	110.4	R1182 W1186	R1182-R1184 PolarHBondContact O-N 3.48Å; R1184-W1186 PolarHBondContact O-N 3.33Å
1185	Y	25.5	Very low	27.8	Very low	184 Å²	184	154.8 Å²	154.8	72%	0.722	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-71.6	118.3	160.3	-89.8	-87	0	0	0	108.8	R1183	R1183-Y1185 PolarHBondContact O-N 3.08Å
1186	W	26	Very low	28	Very low	245 Å²	245	149.5 Å²	149.5	93%	0.928	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-69.4	134.8	150	-91.6	48.6	0	0	0	107.8	R1184	R1184-W1186 PolarHBondContact O-N 3.33Å
1187	G	26.1	Very low	28	Very low	72 Å²	72	155.8 Å²	155.8	74%	0.742	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-72	141	-175.1	0	0	0	0	0	112.3	S1189	G1187-S1189 PolarHBondContact O-N 3.36Å
1188	R	25.3	Very low	28.3	Very low	259 Å²	259	153.1 Å²	153.1	98%	0.977	77%	0.774	S	S	*	*			trans	-69.2	113.3	165	-80	-175	171.7	-169.3	-1.3	109.9
1189	S	26.2	Very low	28.7	Very low	108 Å²	108	154.9 Å²	154.9	76%	0.755	78%	0.781	S	S	*	*			trans	-100.8	119.2	146.4	54.2	0	0	0	0	107.7	G1187	G1187-S1189 PolarHBondContact O-N 3.36Å
1190	G	29.4	Very low	28.8	Very low	77 Å²	77	158.8 Å²	158.8	79%	0.794	79%	0.794	S	S	*	*			trans	-87.3	116.8	178.7	0	0	0	0	0	111.7
1191	T	26.6	Very low	28.8	Very low	130 Å²	130	156.8 Å²	156.8	80%	0.798	80%	0.796	S	S	*	*			trans	-145.9	140	161.4	46.7	0	0	0	0	108.4
1192	E	30	Very low	29	Very low	192 Å²	192	156.3 Å²	156.3	90%	0.897	81%	0.811	S	S	*	*			trans	-74.4	139.6	177.3	-61	154.1	125.4	0	0	111
1193	S	29.9	Very low	29.1	Very low	121 Å²	121	155.3 Å²	155.3	85%	0.846	82%	0.815	S	S	*	*			trans	-160.4	148.9	149	-37.8	0	0	0	0	109.7
1194	D	33.4	Very low	28.9	Very low	133 Å²	133	154.7 Å²	154.7	71%	0.711	82%	0.821	S	S	*	*			trans	-100.4	174	174.7	-168.3	-0.1	0	0	0	110.4
1195	H	33.4	Very low	29.1	Very low	170 Å²	170	150.9 Å²	150.9	79%	0.787	82%	0.817	S	S	*	*			trans	80.8	139.3	169	-44.4	-24.6	0	0	0	116.6
1196	G	27.5	Very low	29.2	Very low	67 Å²	67	146.7 Å²	146.7	69%	0.691	82%	0.815	S	S	*	*			trans	174.4	-15.8	171.9	0	0	0	0	0	120.9
1197	Y	30	Very low	29.3	Very low	231 Å²	231	144.7 Å²	144.7	91%	0.906	82%	0.816	S	S	*	*			trans	-140.6	110.3	-178.2	-84.9	-78.5	0	0	0	114.3
1198	S	31.7	Very low	29.3	Very low	122 Å²	122	148.4 Å²	148.4	85%	0.853	82%	0.819	S	S	*	*			trans	-150.7	96.6	169.5	-77.8	0	0	0	0	112
1199	T	32.1	Very low	30.8	Very low	126 Å²	126	141 Å²	141	77%	0.773	80%	0.804	S	S	*	*			trans	-157.1	133.3	159.1	50.3	0	0	0	0	108.2
1200	M	29.4	Very low	31.6	Very low	180 Å²	180	141.2 Å²	141.2	89%	0.887	80%	0.803	S	S	*	*			cis	-162.3	137.5	-13	-130.6	173.9	74	0	0	107.1
1201	S	28.8	Very low	31.4	Very low	105 Å²	105	142.7 Å²	142.7	73%	0.734	80%	0.799	S	S	*	*			trans	-135.5	129	172.3	53.9	0	0	0	0	109.4
1202	P	34.8	Very low	31.3	Very low	131 Å²	131	143.2 Å²	143.2	85%	0.851	80%	0.798	S	S	*	*			trans	-66.1	146.7	175.2	-18.1	31.7	0	0	0	111.6
1203	Q	28.8	Very low	31.2	Very low	178 Å²	178	140.8 Å²	140.8	83%	0.832	79%	0.791	S	S	*	*			trans	-84.5	143.6	169	-62.9	160	-104.7	0	0	109.6
1204	E	26.7	Very low	30.9	Very low	195 Å²	195	142.3 Å²	142.3	91%	0.911	79%	0.79	S	S	*	*			trans	-130.5	145.5	139.2	-76.7	-162.1	145	0	0	109.7
1205	D	28.7	Very low	31.8	Very low	143 Å²	143	141.3 Å²	141.3	77%	0.765	79%	0.79	S	S	*	*			trans	-66.8	176.4	-178.1	-75.5	-68.5	0	0	0	114.5
1206	S	29.3	Very low	31.5	Very low	96 Å²	96	141.7 Å²	141.7	67%	0.671	80%	0.797	S	S	*	*			cis	178.5	136.7	-30.7	-91	0	0	0	0	106.2
1207	E	27.1	Very low	31.4	Very low	203 Å²	203	143.7 Å²	143.7	95%	0.949	80%	0.801	S	S	*	*			trans	-161.7	144.4	157.5	-122.8	171.8	-143.1	0	0	113
1208	N	27.3	Very low	31.3	Very low	150 Å²	150	137.2 Å²	137.2	80%	0.802	80%	0.795	S	S	*	*			trans	-171.9	162.1	-166.9	-149.2	3.3	0	0	0	110.3
1209	P	54.9	Low	31	Very low	103 Å²	103	134.7 Å²	134.7	67%	0.669	79%	0.788	S	S	*	*				-103.6	-142	-66.8	27	-6.9	0	0	0	110.2
1210	P	43.7	Very low	30.7	Very low	113 Å²	113	134.9 Å²	134.9	73%	0.734	79%	0.788	S	S	*	*				-151.2	153.4	71.4	38.5	-17.5	0	0	0	119
1211	C	24.4	Very low	30.6	Very low	107 Å²	107	133.1 Å²	133.1	72%	0.723	78%	0.783	S	S	*	*			trans	43.2	129.6	142.1	-55.2	0	0	0	0	123.9
1212	N	25.5	Very low	30.6	Very low	142 Å²	142	133.7 Å²	133.7	76%	0.759	78%	0.782	S	S	*	*				-174.6	129.5	99.4	-98.4	-19.1	0	0	0	116.2
1213	N	27.3	Very low	30.2	Very low	140 Å²	140	130.6 Å²	130.6	75%	0.749	77%	0.773	S	S	*	*			trans	35.5	117.5	140.2	-51.7	-8.6	0	0	0	123.3
1214	D	24.4	Very low	30.1	Very low	154 Å²	154	128.4 Å²	128.4	82%	0.824	77%	0.767	S	S	*	*				1.3	164.2	117.6	-77.3	-12.9	0	0	0	120.8
1215	P	53	Low	30.4	Very low	111 Å²	111	126.1 Å²	126.1	72%	0.721	76%	0.756	S	S	*	*			cis	-140.1	-170.6	-32.8	40.2	-23.5	0	0	0	112
1216	L	26.4	Very low	30.4	Very low	178 Å²	178	124.6 Å²	124.6	93%	0.932	75%	0.748	S	S	*	*			trans	-166	163.5	142.7	-112.6	168.3	0	0	0	113.5
1217	S	25.7	Very low	30.5	Very low	110 Å²	110	127.3 Å²	127.3	77%	0.769	75%	0.75	S	S	*	*			trans	-138.1	144.2	-167.7	175.7	0	0	0	0	113.4
1218	A	26.9	Very low	30.6	Very low	95 Å²	95	123.6 Å²	123.6	79%	0.785	74%	0.737	S	S	*	*			trans	-161.4	139.1	151.6	0	0	0	0	0	106.5
1219	G	25.4	Very low	30.8	Very low	68 Å²	68	123.2 Å²	123.2	70%	0.701	73%	0.734	S	S	*	*			cis	87.1	125.7	27.4	0	0	0	0	0	108.8
1220	V	27	Very low	29.5	Very low	130 Å²	130	124.1 Å²	124.1	79%	0.788	73%	0.733	S	S	*	*			cis	-154.6	138.5	21.2	127.5	0	0	0	0	106.5
1221	D	27.4	Very low	28.7	Very low	144 Å²	144	124.9 Å²	124.9	77%	0.77	73%	0.73	S	S	*	*				59.1	144.9	86.8	-108.6	-12.2	0	0	0	112.9
1222	V	28.1	Very low	28.8	Very low	117 Å²	117	125.4 Å²	125.4	71%	0.709	73%	0.726	S	S	*	*			cis	-147.3	158.6	15.4	-178.3	0	0	0	0	106.3
1223	G	25.8	Very low	28.8	Very low	65 Å²	65	124.4 Å²	124.4	67%	0.67	73%	0.725	S	S	*	*			cis	144.2	-152.3	1.7	0	0	0	0	0	110.6
1224	N	27.8	Very low	29.3	Very low	132 Å²	132	123.1 Å²	123.1	71%	0.706	72%	0.724	S	S	*	*			trans	78	116.8	-179.9	-69.2	63	0	0	0	117.4
1225	H	31.4	Very low	30.2	Very low	148 Å²	148	120.7 Å²	120.7	69%	0.685	72%	0.717	S	S	*	*			cis	93.1	137.4	48.3	-77.2	-66.5	0	0	0	110.8
1226	D	30	Very low	28.8	Very low	110 Å²	110	123.5 Å²	123.5	59%	0.588	72%	0.72	S	S	*	*			cis	-151	147.9	16.4	-98.6	-34.1	0	0	0	114.9
1227	E	32.1	Very low	28.7	Very low	154 Å²	154	121.1 Å²	121.1	72%	0.72	71%	0.714	S	S	*	*				50.7	153.7	127.9	-60.2	173.6	164	0	0	122.2
1228	D	29.1	Very low	28.7	Very low	125 Å²	125	120.4 Å²	120.4	67%	0.668	71%	0.714	S	S	*	*			cis	-150.4	170	13.3	-143.9	-1.1	0	0	0	116.7
1229	L	30.9	Very low	28.6	Very low	141 Å²	141	120 Å²	120	74%	0.738	71%	0.711	S	S	*	*			trans	-46.2	171.2	177.9	-88.7	55.7	0	0	0	117.5
1230	D	27.1	Very low	28.6	Very low	123 Å²	123	123.9 Å²	123.9	66%	0.658	72%	0.715	S	S	*	*			cis	-160.9	-176.3	21.9	-139.4	-0.9	0	0	0	110
1231	L	26.9	Very low	28.5	Very low	128 Å²	128	124.1 Å²	124.1	67%	0.67	71%	0.711	S	S	*	*			cis	-159.8	168.2	-0.2	-172.6	47.8	0	0	0	110.6
1232	D	26.1	Very low	28.2	Very low	118 Å²	118	122.5 Å²	122.5	63%	0.631	71%	0.711	S	S	*	*			trans	68.4	110.2	151.4	-100.4	-38.2	0	0	0	125.3
1233	T	26.7	Very low	28	Very low	122 Å²	122	122.8 Å²	122.8	75%	0.748	70%	0.704	S	S	*	*			trans	42.3	155.5	131.1	56.8	0	0	0	0	125.9
1234	P	37.9	Very low	27.9	Very low	112 Å²	112	126.6 Å²	126.6	73%	0.727	70%	0.702	S	S	*	*			trans	-119.1	-158.7	-167	48.4	-34.4	0	0	0	112.1
1235	P	42.2	Very low	27.7	Very low	103 Å²	103	127.9 Å²	127.9	67%	0.669	70%	0.702	S	S	*	*			cis	-137	-164.2	-6.6	43.4	-24.4	0	0	0	115.3
1236	Q	25	Very low	27.4	Very low	170 Å²	170	127.6 Å²	127.6	79%	0.794	70%	0.701	S	S	*	*			trans	78.5	122.1	147.8	-82.6	-178.4	3.8	0	0	123
1237	T	24.4	Very low	27.2	Very low	129 Å²	129	129.5 Å²	129.5	79%	0.791	71%	0.706	S	S	*	*			trans	38.8	127.5	137.6	59.5	0	0	0	0	122.8
1238	A	25.1	Very low	26.8	Very low	95 Å²	95	131 Å²	131	79%	0.785	71%	0.706	S	S	*	*				-167.7	131.6	126.4	0	0	0	0	0	108.7
1239	A	24.9	Very low	26.6	Very low	86 Å²	86	135.5 Å²	135.5	71%	0.711	71%	0.714	S	S	*	*				93.1	155.9	79.1	0	0	0	0	0	114.2
1240	L	24.6	Very low	26.2	Very low	150 Å²	150	133.1 Å²	133.1	79%	0.785	71%	0.709	S	S	*	*			cis	-164.6	161.2	-21.1	-101.5	170.1	0	0	0	108.9
1241	L	24.1	Very low	26.1	Very low	134 Å²	134	135.9 Å²	135.9	70%	0.702	72%	0.718	S	S	*	*			trans	38.6	130.4	144	-63.7	164.6	0	0	0	123.1
1242	S	23	Very low	26.1	Very low	110 Å²	110	138 Å²	138	77%	0.769	72%	0.723	S	S	*	*				-160.6	144.4	108.6	-151	0	0	0	0	109
1243	H	23.1	Very low	26.6	Very low	124 Å²	124	137.2 Å²	137.2	57%	0.574	73%	0.725	S	S	*	*			cis	67.4	134.4	36.8	-80.8	20.5	0	0	0	114.3
1244	K	24.6	Very low	26.5	Very low	144 Å²	144	136.6 Å²	136.6	63%	0.626	72%	0.721	S	S	*	*			cis	-168	148.7	-13.9	-130.4	173.9	-175.5	158.5	0	110.7
1245	F	23.4	Very low	25.9	Very low	159 Å²	159	137.5 Å²	137.5	70%	0.697	72%	0.719	S	S	*	*			trans	67.5	145.1	149.6	-82.9	-55.6	0	0	0	125.5
1246	H	24.1	Very low	25.1	Very low	142 Å²	142	138.7 Å²	138.7	66%	0.657	72%	0.716	S	S	*	*			trans	73.6	148.9	141	-73.6	-24.9	0	0	0	121.2
1247	H	25.5	Very low	25.1	Very low	150 Å²	150	137.6 Å²	137.6	69%	0.694	71%	0.71	S	S	*	*			cis	-171.8	175.2	-23.8	-133.4	-5.9	0	0	0	112.2
1248	Y	24.1	Very low	25.1	Very low	186 Å²	186	135 Å²	135	73%	0.729	70%	0.698	S	S	*	*			trans	82.8	142	150.6	-103.2	-72.1	0	0	0	124.8
1249	R	25.2	Very low	25.2	Very low	219 Å²	219	137.5 Å²	137.5	83%	0.826	69%	0.692	S	S	*	*			trans	61.6	129.3	159.1	-91	147	-179.3	-179.3	-0.5	118.1
1250	S	23.2	Very low	25.3	Very low	91 Å²	91	140.9 Å²	140.9	64%	0.636	69%	0.693	S	S	*	*			cis	82.1	103.9	35	-177.8	0	0	0	0	115.4
1251	H	24.9	Very low	25.3	Very low	182 Å²	182	140 Å²	140	84%	0.843	69%	0.689	S	S	*	*				-163.7	131.1	113.6	-111.4	-76	0	0	0	114.9
1252	H	25.8	Very low	25.3	Very low	171 Å²	171	142 Å²	142	79%	0.792	69%	0.694	S	S	*	*			trans	-66.4	167	153.9	-94.6	-44.7	0	0	0	110.3
1253	P	37.4	Very low	25.4	Very low	102 Å²	102	141.4 Å²	141.4	66%	0.662	70%	0.696	S	S	*	*				-160.3	-170.7	50.5	43	-19.4	0	0	0	120.1
1254	T	24.5	Very low	25.4	Very low	109 Å²	109	139.6 Å²	139.6	67%	0.669	70%	0.703	S	S	*	*			trans	72.7	141.3	147.6	51.6	0	0	0	0	120.7
1255	L	24.9	Very low	25.4	Very low	132 Å²	132	138.9 Å²	138.9	69%	0.691	71%	0.71	S	S	*	*			cis	180	169	-22.8	-126	53.8	0	0	0	105.9
1256	H	25.3	Very low	25.4	Very low	128 Å²	128	137.3 Å²	137.3	59%	0.593	71%	0.714	S	S	*	*			cis	-162	152.6	5.2	-139.2	-12.6	0	0	0	109.7
1257	H	25.1	Very low	25.4	Very low	147 Å²	147	135.8 Å²	135.8	68%	0.681	71%	0.714	S	S	*	*			trans	54.7	156.4	136.3	-79	-11.7	0	0	0	123.5
1258	S	25.1	Very low	25.4	Very low	75 Å²	75	136.7 Å²	136.7	52%	0.524	72%	0.718	S	S	.	*			cis	179.1	170.1	-26.3	50.6	0	0	0	0	111.8
1259	H	27.2	Very low	25.4	Very low	146 Å²	146	133 Å²	133	68%	0.676	72%	0.716	S	S	*	*			trans	82.4	116.5	150.2	-70.2	-56.8	0	0	0	122.3
1260	H	25.4	Very low	25.4	Very low	158 Å²	158	128.1 Å²	128.1	73%	0.731	71%	0.709	S	S	*	*				86.9	139	122.6	-82.2	-52.3	0	0	0	125.2
1261	L	24.4	Very low	25.6	Very low	132 Å²	132	131.1 Å²	131.1	69%	0.691	72%	0.718	S	S	*	*			trans	84.9	107.8	139.6	-74.8	163.9	0	0	0	121.9
1262	Q	24.4	Very low	25.6	Very low	174 Å²	174	126.8 Å²	126.8	81%	0.813	71%	0.714	S	S	*	*				42.1	114	122.5	-74.9	-176.9	-35	0	0	121.6
1263	A	24.7	Very low	25.5	Very low	98 Å²	98	128.2 Å²	128.2	81%	0.81	72%	0.721	S	S	*	*				89.4	142.1	116	0	0	0	0	0	122.6
1264	A	24.5	Very low	25	Very low	86 Å²	86	133 Å²	133	71%	0.711	76%	0.755	S	S	*	*			trans	88.4	104	140.6	0	0	0	0	0	122.5
1265	V	24	Very low	25	Very low	130 Å²	130	134.3 Å²	134.3	79%	0.788	76%	0.76	S	S	*	*				77.3	154.6	119.7	171.4	0	0	0	0	119.9
1266	T	24.3	Very low	25.1	Very low	125 Å²	125	134.4 Å²	134.4	77%	0.767	76%	0.763	S	S	*	*			trans	67.7	133	-178.2	43.3	0	0	0	0	116.6
1267	V	23.6	Very low	25	Very low	110 Å²	110	134.7 Å²	134.7	67%	0.667	77%	0.773	S	S	*	*			cis	114.5	128.6	9	167.2	0	0	0	0	112.4
1268	H	24.5	Very low	25	Very low	169 Å²	169	134 Å²	134	78%	0.782	78%	0.778	S	S	*	*			trans	67.2	150	175.7	-65.9	-38.6	0	0	0	115.5
1269	T	25.4	Very low	25	Very low	110 Å²	110	137.7 Å²	137.7	68%	0.675	79%	0.794	S	S	*	*			cis	-166.8	145.5	-11.8	23.7	0	0	0	0	111.2
1270	V	25.2	Very low	24.9	Very low	115 Å²	115	137.1 Å²	137.1	70%	0.697	80%	0.802	S	S	*	*			trans	67.6	127.6	132.9	177.4	0	0	0	0	121.6
1271	D	25.8	Very low	24.9	Very low	154 Å²	154	135.6 Å²	135.6	82%	0.824	81%	0.807	S	S	*	*			trans	69.6	162.1	150.7	-65.5	-6.4	0	0	0	124.8
1272	A	25.1	Very low	24.9	Very low	92 Å²	92	135.9 Å²	135.9	76%	0.76	82%	0.816	S	S	*	*			trans	85.5	88.3	163.4	0	0	0	0	0	119.4
1273	E	24.8	Very low	24.9	Very low	201 Å²	201	132.8 Å²	132.8	94%	0.939	82%	0.816	S	S	*	*			trans	21.1	115.3	132	-57.6	-178.8	144.2	0	0	119.5
1274	C	27.1	Very low	24.9	Very low	203 Å²	203	135.9 Å²	135.9	100%	1.372	82%	0.816	S	S	*	*				-156.7	0	128.2	-158.9	0	0	0	0	111.6

Retrieved 1,274 of 1,274 residues in 601.5 ms (Link to these results)

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