A0A087XCA7_POEFO Loading...

Patched domain containing 1

AlphaFold DB , UniProt , Accession A0A087XCA7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 934 aa.

						>A0A087XCA7_POEFO|A0A087XCA7
RCVRRPLMLGGAPGLSGRWERLEQRPRAGRMLRQVLHAGLRTSFHALGRFVAGHAVFFASAPVLLAILLGASFSRYRVEGDVESLLAPKHSLAKIEGNLVESLFPVNRSKHALYSDLQTPGRYGRVIITARRGSVLDPVHLETILQLHRRIYQMQVTVPAATAGSSGFNYSFSYLCLPDDKNVCIVDDIIRAMEEIQSARTSNRSVPVLHYPITQLADGRQAYIGHQLGGVQGWGPGGAVRPQGTGAKGEGVRSAKAVQLTYYLQSRSGLMDRVAGRWEKAFCAELKLFGASRPKLGLYSATSSSLRTDFQFSSVLARRPLLASLGVCGVLAILCCSMRDCVRSKPWLGMLALLSVALSGLTAAGILNLTGATYNSTYLGIPFVMLGHGLFGSFEMLSSWRRTREDQHVKERVASVFEDVMLRFSGSTMIHLMTLGLAASPLTNMEAVRLFCRNAVLAITISYIYMLSFYSSCLVFTGYLETRYRHGCFCRRVPKPDRLDSKPAWYRCLMYTRYQATTTADPHPQDCHLLLGCVRHCYGDWITNTYVKPFVVLLYLVYISFGLMGFLQVTQGSDPSALVATDTATVLYTHAQHRYFSSYSPVIGFYIYESAPYWNASVQRDLLEYAKGFQRISWLEAYLSYLSDRNQSTSQSRENFTRTLRHSFLHEPQFAHFADDIIFAERGQGEEPDVAASRIFLVAKTTENKREEMSVLLDTLRRLSLTSRVRFLIFNPSFVYLDRYATAVSSPLRHSLLAVLFLLGLSSLVVVEPLVSLWLGLTLLSVQFGVLGFMTLWGVEMDCVSVLCLITALGHSADCSGPLLCGFASGRGESRTRWVHLALERHGIPSLQTLVCYSAALVPICAVRSNLTRTLFRCLTLTAVCSALHTLAFLPTLLTFLPPSKSRDNRPGREGQRQEVECVEMNDSTRVVDQITTV
					

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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	R	31.2	Very low	28.8	Very low	302 Å²	302	168 Å²	168	100%	1.14	89%	0.885	S	S	*	*				0	113.5	0	-70.4	178.2	179	177.9	-1.1	105.9
2	C	24.9	Very low	28.6	Very low	133 Å²	133	162.1 Å²	162.1	90%	0.899	88%	0.878	S	S	*	*			cis	-133.1	151.2	19.8	-80.6	0	0	0	0	111.8
3	V	32.5	Very low	28.8	Very low	135 Å²	135	160.2 Å²	160.2	82%	0.818	88%	0.88	S	S	*	*			trans	-84.3	145.1	172.9	170.2	0	0	0	0	109.5
4	R	24.8	Very low	28.8	Very low	244 Å²	244	153.4 Å²	153.4	92%	0.921	86%	0.864	S	S	*	*			trans	-170.1	106.3	138.5	-106.1	172.1	-173.2	-171.9	2.2	111.5
5	R	30.8	Very low	29	Very low	237 Å²	237	155.5 Å²	155.5	89%	0.894	87%	0.871	S	S	*	*			trans	-83.4	155.2	139.4	-86.9	-175.1	172.4	-177.6	-1.6	107.3
6	P	32.7	Very low	29.1	Very low	110 Å²	110	153.7 Å²	153.7	71%	0.714	87%	0.872	S	S	*	*				-149.2	151.4	99.7	31.4	-10.9	0	0	0	117
7	L	24.4	Very low	29.2	Very low	169 Å²	169	149.4 Å²	149.4	89%	0.885	87%	0.869	S	S	*	*			trans	66.2	130	137.3	-80.9	144.2	0	0	0	123.4
8	M	32.2	Very low	29.2	Very low	179 Å²	179	153.8 Å²	153.8	88%	0.882	87%	0.869	S	S	*	*			trans	-63.9	144.9	169.8	-64.6	-94.9	-127.4	0	0	112.8
9	L	27.8	Very low	29.1	Very low	179 Å²	179	158.6 Å²	158.6	94%	0.937	87%	0.872	S	S	*	*			trans	-144.4	127.1	150.6	-102	152.1	0	0	0	107.6
10	G	29.5	Very low	29.1	Very low	84 Å²	84	160.5 Å²	160.5	87%	0.866	87%	0.874	S	S	*	*			trans	-73.4	151.1	-173.2	0	0	0	0	0	113.9
11	G	25.5	Very low	29.1	Very low	76 Å²	76	164.2 Å²	164.2	78%	0.784	88%	0.876	S	S	*	*			trans	-162.2	109.9	167.8	0	0	0	0	0	110
12	A	26.4	Very low	28.9	Very low	97 Å²	97	156.8 Å²	156.8	80%	0.802	86%	0.858	S	S	*	*			trans	24.2	135.1	163.5	0	0	0	0	0	121.8
13	P	31.3	Very low	29.3	Very low	138 Å²	138	159.3 Å²	159.3	90%	0.896	86%	0.856	S	S	*	*			trans	-81.4	127.2	176.1	34.1	-30.1	0	0	0	110.9
14	G	29.5	Very low	29.3	Very low	64 Å²	64	158.3 Å²	158.3	66%	0.66	84%	0.843	S	S	*	*			trans	-153.8	93.9	176.5	0	0	0	0	0	112.3
15	L	31.8	Very low	29.8	Very low	185 Å²	185	157.4 Å²	157.4	97%	0.969	84%	0.839	S	S	*	*	S	Bend	trans	57	67.3	150.3	-66	153.5	0	0	0	117.6
16	S	30.7	Very low	30.3	Very low	127 Å²	127	150.4 Å²	150.4	89%	0.888	82%	0.824	S	S	*	*			trans	-138	24	160.2	76.8	0	0	0	0	114.7
17	G	30.2	Very low	31.4	Very low	80 Å²	80	152.6 Å²	152.6	83%	0.825	82%	0.819	S	S	*	*			trans	-122	57.2	-176.7	0	0	0	0	0	113.8
18	R	28.6	Very low	33	Very low	230 Å²	230	148.4 Å²	148.4	87%	0.868	81%	0.808	S	S	*	*	S	Bend	trans	-154	37.2	171.9	-141.3	-179.8	-137.6	-158.3	4.7	116.8
19	W	28.6	Very low	34.3	Very low	245 Å²	245	141.4 Å²	141.4	93%	0.928	78%	0.782	S	S	*	*	S	Bend	trans	-135.2	-0	169.4	-79.7	92.8	0	0	0	115.7
20	E	29.3	Very low	36	Very low	195 Å²	195	140.1 Å²	140.1	91%	0.911	76%	0.764	S	S	*	*	S	Bend	trans	-101.1	7.9	-178	-88.9	-174.4	159.2	0	0	116.1
21	R	27.4	Very low	38	Very low	240 Å²	240	141.3 Å²	141.3	91%	0.906	75%	0.749	S	S	*	*			trans	-134.3	74.6	172	-97	-177	-80.5	-159.4	-4.3	112.2
22	L	27.8	Very low	40.3	Very low	145 Å²	145	143 Å²	143	76%	0.759	74%	0.739	S	S	*	*			trans	-130.1	86.4	153.5	-93	163.1	0	0	0	107.6	Q24	L22-Q24 PolarHBondContact O-N 2.87Å
23	E	32.5	Very low	42.6	Very low	186 Å²	186	140.4 Å²	140.4	87%	0.869	71%	0.709	S	S	*	*			trans	-54.8	100	160	-78.1	178.1	135.2	0	0	109.1	R25	E23-R25 PolarHBondContact O-N 3.14Å
24	Q	34.4	Very low	44.8	Very low	115 Å²	115	139 Å²	139	54%	0.537	69%	0.69	S	S	.	*			trans	-83	100.9	168.9	-74.2	-171.9	0	0	0	109.3	L22	L22-Q24 PolarHBondContact O-N 2.87Å
25	R	34.8	Very low	47.3	Very low	225 Å²	225	141 Å²	141	85%	0.849	69%	0.689	S	S	*	*			trans	-44.8	147.1	154.8	-69.5	-179.4	176.4	-174.8	-1.6	109.8	E23 R27	E23-R25 PolarHBondContact O-N 3.14Å; R25-R27 PolarHBondContact O-N 3.33Å
26	P	41.4	Very low	49.7	Very low	89 Å²	89	135.7 Å²	135.7	58%	0.578	66%	0.662	S	S	*	*			trans	-59.6	112.5	175.4	24.5	-31.1	0	0	0	108.7	A28 M31	P26-A28 PolarHBondContact O-N 3.08Å; P26-M31 HydrophobicContact CB-CE 4.14Å; P26-M31 HydrophobicContact CG-CE 3.75Å
27	R	55.8	Low	52.1	Low	157 Å²	157	132.7 Å²	132.7	59%	0.592	63%	0.633	S	S	*	*			trans	-54.7	122.8	178.3	-65.4	-179	-176.9	177.9	-1.2	108.1	R25 G29 R30	R25-R27 PolarHBondContact O-N 3.33Å; R27-G29 PolarHBondContact O-N 3.27Å; R27-R30 PolarHBondContact O-N 3.23Å
28	A	57.1	Low	54.7	Low	81 Å²	81	131.4 Å²	131.4	67%	0.669	62%	0.615	S	S	*	*	H	α-helix	trans	-43.4	-31.8	-177.6	0	0	0	0	0	114.4	P26 R30 M31 L32	P26-A28 PolarHBondContact O-N 3.08Å; A28-R30 PolarHBondContact O-N 3.27Å; A28-M31 PolarHBondContact O-N 3.07Å; A28-L32 PolarHBondContact O-N 3.35Å
29	G	59	Low	57.6	Low	31 Å²	31	122 Å²	122	32%	0.32	59%	0.589	S	S	.	*	H	α-helix	trans	-60.7	-30.1	174.6	0	0	0	0	0	115.8	R27 R33 V765	R27-G29 PolarHBondContact O-N 3.27Å; G29-R33 PolarHBondContact O-N 2.95Å; G29-R33 VanDerWaalsContact O-N 3.14Å; G29-V765 WeakPolarHBondContact O-CG1 3.18Å
30	R	64.8	Low	60.4	Low	152 Å²	152	113.1 Å²	113.1	57%	0.574	56%	0.56	S	S	*	*	H	α-helix	trans	-72.9	-38	175.3	-71.9	-169.4	-145.9	174.5	7.9	112.3	R27 A28 Q34	R27-R30 PolarHBondContact O-N 3.23Å; A28-R30 PolarHBondContact O-N 3.27Å; R30-Q34 WeakPolarHBondContact O-CG 3.23Å; R30-Q34 PolarHBondContact O-N 3.39Å; R30-Q34 VanDerWaalsContact O-N 3.16Å
31	M	70.3	Confident	63.3	Low	110 Å²	110	108.6 Å²	108.6	54%	0.542	53%	0.534	S	S	.	.	H	α-helix	trans	-68.2	-45	176.6	-70.5	-167.3	177.5	0	0	110.7	P26 A28 R33 Q34 V35	P26-M31 HydrophobicContact CB-CE 4.14Å; P26-M31 HydrophobicContact CG-CE 3.75Å; A28-M31 PolarHBondContact O-N 3.07Å; M31-R33 VanDerWaalsContact C-N 3.29Å; M31-R33 PolarHBondContact O-N 3.43Å; M31-Q34 PolarHBondContact O-N 2.93Å; M31-Q34 VanDerWaalsContact O-N 3.15Å; M31-V35 WeakPolarHBondContact O-CG2 3.48Å; M31-V35 PolarHBondContact O-N 2.97Å
32	L	74.6	Confident	66.4	Low	111 Å²	111	101.4 Å²	101.4	58%	0.581	52%	0.517	S	S	*	.	H	α-helix	trans	-56.8	-42.4	175.6	-175.2	65.5	0	0	0	112	A28 V35 L36	A28-L32 PolarHBondContact O-N 3.35Å; L32-V35 PolarHBondContact O-N 3.1Å; L32-L36 WeakPolarHBondContact O-CB 3.31Å; L32-L36 PolarHBondContact O-N 3.17Å
33	R	73.7	Confident	69.6	Low	43 Å²	43	98.1 Å²	98.1	16%	0.162	51%	0.506	C	S	.	.	H	α-helix	trans	-60.1	-47.8	175.2	-172.3	172.9	-63.2	156.8	1.7	112.6	G29 M31 V35 L36 H37 V765 V767	G29-R33 PolarHBondContact O-N 2.95Å; G29-R33 VanDerWaalsContact O-N 3.14Å; M31-R33 VanDerWaalsContact C-N 3.29Å; M31-R33 PolarHBondContact O-N 3.43Å; R33-V35 VanDerWaalsContact C-N 3.29Å; R33-V35 PolarHBondContact O-N 2.91Å; R33-L36 PolarHBondContact O-N 3.13Å; R33-H37 WeakPolarHBondContact O-CB 3.34Å; R33-H37 PolarHBondContact O-CD2 3.45Å; R33-H37 PolarHBondContact O-N 3.27Å; R33-V765 HydrophobicContact CB-CG1 3.53Å; R33-V765 HydrophobicContact CG-CG1 4.29Å; R33-V765 VanDerWaalsContact CG-O 3.3Å; R33-V765 WeakPolarHBondContact CG-O 3.49Å; R33-V765 PolarHBondContact NE-O 3.29Å; R33-V767 PolarHBondContact NH2-O 2.7Å
34	Q	77.6	Confident	72.6	Confident	108 Å²	108	90.5 Å²	90.5	51%	0.505	47%	0.47	S	S	.	.	H	α-helix	trans	-63.5	-39.6	-177.7	-74.6	176.4	-6.1	0	0	110.9	R30 M31 A38	R30-Q34 WeakPolarHBondContact O-CG 3.23Å; R30-Q34 PolarHBondContact O-N 3.39Å; R30-Q34 VanDerWaalsContact O-N 3.16Å; M31-Q34 PolarHBondContact O-N 2.93Å; M31-Q34 VanDerWaalsContact O-N 3.15Å; Q34-A38 WeakPolarHBondContact O-CB 3.27Å; Q34-A38 PolarHBondContact O-N 2.69Å
35	V	82.8	Confident	75.5	Confident	105 Å²	105	87 Å²	87	64%	0.636	45%	0.454	S	S	*	.	H	α-helix	trans	-64.3	-46.2	174.3	175	0	0	0	0	111.1	M31 L32 R33 A38 G39	M31-V35 WeakPolarHBondContact O-CG2 3.48Å; M31-V35 PolarHBondContact O-N 2.97Å; L32-V35 PolarHBondContact O-N 3.1Å; R33-V35 VanDerWaalsContact C-N 3.29Å; R33-V35 PolarHBondContact O-N 2.91Å; V35-A38 PolarHBondContact O-N 2.8Å; V35-G39 PolarHBondContact O-N 3.03Å
36	L	82.7	Confident	78.5	Confident	75 Å²	75	79 Å²	79	39%	0.393	44%	0.436	S	S	.	.	H	α-helix	trans	-61.8	-47.3	177.8	-169.8	84.1	0	0	0	111.9	L32 R33 G39 L40 V766	L32-L36 WeakPolarHBondContact O-CB 3.31Å; L32-L36 PolarHBondContact O-N 3.17Å; R33-L36 PolarHBondContact O-N 3.13Å; L36-G39 PolarHBondContact O-N 3.45Å; L36-L40 HydrophobicContact CD2-CD1 4.44Å; L36-L40 HydrophobicContact CG-CD1 4.19Å; L36-L40 WeakPolarHBondContact O-CB 3.47Å; L36-L40 WeakPolarHBondContact O-CG 3.36Å; L36-L40 PolarHBondContact O-N 3.1Å; L36-V766 HydrophobicContact CD2-CG2 4.2Å
37	H	81.8	Confident	81.1	Confident	63 Å²	63	77.8 Å²	77.8	29%	0.292	42%	0.424	S	S	.	.	H	α-helix	trans	-63.2	-42	177.7	-89.7	-103.4	0	0	0	111.8	R33 R41 V766	R33-H37 WeakPolarHBondContact O-CB 3.34Å; R33-H37 PolarHBondContact O-CD2 3.45Å; R33-H37 PolarHBondContact O-N 3.27Å; H37-R41 WeakPolarHBondContact O-CB 3.39Å; H37-R41 VanDerWaalsContact O-CG 3.25Å; H37-R41 WeakPolarHBondContact O-CG 3.33Å; H37-R41 PolarHBondContact O-N 3.46Å; H37-V766 PolarHBondContact NE2-O 2.87Å
38	A	84.5	Confident	83	Confident	54 Å²	54	70.3 Å²	70.3	45%	0.446	40%	0.396	S	S	.	.	H	α-helix	trans	-63	-45.4	175.5	0	0	0	0	0	111.2	Q34 V35 R41 T42	Q34-A38 WeakPolarHBondContact O-CB 3.27Å; Q34-A38 PolarHBondContact O-N 2.69Å; V35-A38 PolarHBondContact O-N 2.8Å; A38-R41 PolarHBondContact O-N 2.88Å; A38-T42 WeakPolarHBondContact O-CG2 3.32Å; A38-T42 PolarHBondContact O-N 3.02Å; A38-T42 PolarHBondContact O-OG1 3.49Å
39	G	88.5	Confident	84.9	Confident	31 Å²	31	72.9 Å²	72.9	32%	0.32	39%	0.388	S	S	.	.	H	α-helix	trans	-61.5	-44.7	176.7	0	0	0	0	0	113.1	V35 L36 R41 T42 S43	V35-G39 PolarHBondContact O-N 3.03Å; L36-G39 PolarHBondContact O-N 3.45Å; G39-R41 PolarHBondContact O-N 3.43Å; G39-T42 WeakPolarHBondContact CA-OG1 3.46Å; G39-T42 PolarHBondContact O-N 3.21Å; G39-T42 PolarHBondContact O-OG1 2.91Å; G39-S43 WeakPolarHBondContact O-CB 3.28Å; G39-S43 PolarHBondContact O-N 2.94Å; G39-S43 PolarHBondContact O-OG 2.8Å; G39-S43 VanDerWaalsContact O-OG 3.04Å
40	L	88.5	Confident	86.7	Confident	59 Å²	59	76.6 Å²	76.6	31%	0.309	40%	0.396	S	S	.	.	H	α-helix	trans	-64.6	-40.7	176.6	-72.5	170.3	0	0	0	111.9	L36 S43 F44 L422	L36-L40 HydrophobicContact CD2-CD1 4.44Å; L36-L40 HydrophobicContact CG-CD1 4.19Å; L36-L40 WeakPolarHBondContact O-CB 3.47Å; L36-L40 WeakPolarHBondContact O-CG 3.36Å; L36-L40 PolarHBondContact O-N 3.1Å; L40-S43 PolarHBondContact O-N 2.86Å; L40-F44 WeakPolarHBondContact O-CD2 3.32Å; L40-F44 PolarHBondContact O-N 2.74Å; L40-L422 HydrophobicContact CB-CD1 4.15Å; L40-L422 HydrophobicContact CD1-CD1 3.8Å
41	R	89.7	Confident	88.2	Confident	100 Å²	100	69.6 Å²	69.6	38%	0.377	37%	0.37	S	S	.	.	H	α-helix	trans	-62.5	-46.6	176	-77.9	177.5	68.8	149.3	4	111.7	H37 A38 G39 S43 F44 H45 E418 L422	H37-R41 WeakPolarHBondContact O-CB 3.39Å; H37-R41 VanDerWaalsContact O-CG 3.25Å; H37-R41 WeakPolarHBondContact O-CG 3.33Å; H37-R41 PolarHBondContact O-N 3.46Å; A38-R41 PolarHBondContact O-N 2.88Å; G39-R41 PolarHBondContact O-N 3.43Å; R41-S43 VanDerWaalsContact C-N 3.32Å; R41-S43 PolarHBondContact O-N 2.93Å; R41-F44 PolarHBondContact O-N 3.19Å; R41-H45 WeakPolarHBondContact O-CB 3.4Å; R41-H45 PolarHBondContact O-N 3.4Å; R41-E418 HydrophobicContact CB-CG 3.78Å; R41-E418 HydrophobicContact CG-CG 4.24Å; R41-E418 IonicContact CZ-OE1 2.74Å; R41-E418 IonicContact NE-OE1 2.67Å; R41-E418 PolarHBondContact NE-OE1 3.22Å; R41-E418 VanDerWaalsContact NE-OE1 3.1Å; R41-E418 IonicContact NH2-OE1 3.1Å; R41-E418 PolarHBondContact NH2-OE1 3.01Å; R41-L422 HydrophobicContact CG-CD2 4.43Å
42	T	92.6	Very high	89.3	Confident	90 Å²	90	64.5 Å²	64.5	55%	0.552	35%	0.346	S	S	*	.	H	α-helix	trans	-64.5	-36.9	177.1	54.5	0	0	0	0	111.8	A38 G39 H45 A46	A38-T42 WeakPolarHBondContact O-CG2 3.32Å; A38-T42 PolarHBondContact O-N 3.02Å; A38-T42 PolarHBondContact O-OG1 3.49Å; G39-T42 WeakPolarHBondContact CA-OG1 3.46Å; G39-T42 PolarHBondContact O-N 3.21Å; G39-T42 PolarHBondContact O-OG1 2.91Å; T42-H45 WeakPolarHBondContact O-CB 3.46Å; T42-H45 PolarHBondContact O-N 3.14Å; T42-A46 WeakPolarHBondContact O-CB 3.5Å; T42-A46 PolarHBondContact O-N 3.26Å
43	S	94.7	Very high	90.3	Very high	75 Å²	75	61 Å²	61	52%	0.524	34%	0.336	S	S	.	.	H	α-helix	trans	-62.1	-46	172.2	-63.5	0	0	0	0	112.5	G39 L40 R41 H45 A46 L47	G39-S43 WeakPolarHBondContact O-CB 3.28Å; G39-S43 PolarHBondContact O-N 2.94Å; G39-S43 PolarHBondContact O-OG 2.8Å; G39-S43 VanDerWaalsContact O-OG 3.04Å; L40-S43 PolarHBondContact O-N 2.86Å; R41-S43 VanDerWaalsContact C-N 3.32Å; R41-S43 PolarHBondContact O-N 2.93Å; S43-H45 VanDerWaalsContact C-N 3.34Å; S43-H45 PolarHBondContact O-N 2.61Å; S43-A46 PolarHBondContact O-N 2.84Å; S43-L47 WeakPolarHBondContact O-CB 3.48Å; S43-L47 PolarHBondContact O-N 2.87Å
44	F	95.6	Very high	91.4	Very high	27 Å²	27	63.7 Å²	63.7	12%	0.118	35%	0.35	C	S	.	.	H	α-helix	trans	-65.7	-37.5	176.6	-77.7	-58.1	0	0	0	112.3	L40 R41 L47 G48 F417 M421 L422	L40-F44 WeakPolarHBondContact O-CD2 3.32Å; L40-F44 PolarHBondContact O-N 2.74Å; R41-F44 PolarHBondContact O-N 3.19Å; F44-L47 HydrophobicContact CD1-CD2 4.29Å; F44-L47 PolarHBondContact O-N 3.49Å; F44-G48 PolarHBondContact O-N 3.06Å; F44-F417 VanDerWaalsContact O-CB 3.28Å; F44-F417 WeakPolarHBondContact O-CB 3.4Å; F44-M421 HydrophobicContact CB-CB 4.35Å; F44-M421 HydrophobicContact CD1-CB 3.44Å; F44-M421 VanDerWaalsContact CD1-CB 3.44Å; F44-M421 HydrophobicContact CD1-CG 4.2Å; F44-M421 HydrophobicContact CD2-CB 4.21Å; F44-M421 HydrophobicContact CE1-CB 3.65Å; F44-M421 HydrophobicContact CE2-CB 4.39Å; F44-M421 HydrophobicContact CG-CB 3.76Å; F44-M421 HydrophobicContact CZ-CB 4.13Å; F44-L422 HydrophobicContact CD2-CB 4.19Å; F44-L422 HydrophobicContact CE2-CB 4Å; F44-L422 HydrophobicContact CE2-CD1 4.16Å
45	H	96	Very high	92.2	Very high	40 Å²	40	59 Å²	59	19%	0.185	33%	0.33	C	S	.	.	H	α-helix	trans	-59.1	-49.9	173.2	-175.2	100.3	0	0	0	111.2	R41 T42 S43 L47 G48 R49 E411 A414 E418	R41-H45 WeakPolarHBondContact O-CB 3.4Å; R41-H45 PolarHBondContact O-N 3.4Å; T42-H45 WeakPolarHBondContact O-CB 3.46Å; T42-H45 PolarHBondContact O-N 3.14Å; S43-H45 VanDerWaalsContact C-N 3.34Å; S43-H45 PolarHBondContact O-N 2.61Å; H45-L47 VanDerWaalsContact C-N 3.33Å; H45-L47 PolarHBondContact O-N 3.04Å; H45-G48 PolarHBondContact O-N 2.84Å; H45-R49 PolarHBondContact O-N 2.97Å; H45-E411 IonicContact CE1-OE1 3.32Å; H45-E411 PolarHBondContact CE1-OE1 2.9Å; H45-E411 IonicContact NE2-OE1 3.14Å; H45-E411 PolarHBondContact NE2-OE1 3.4Å; H45-A414 WeakPolarHBondContact O-CB 3.41Å; H45-E418 HydrophobicContact CB-CB 4.1Å; H45-E418 HydrophobicContact CB-CG 4.26Å; H45-E418 IonicContact ND1-OE2 3.25Å; H45-E418 PolarHBondContact ND1-OE2 3.23Å
46	A	96.6	Very high	92.8	Very high	58 Å²	58	58.9 Å²	58.9	48%	0.479	33%	0.329	S	S	.	.	H	α-helix	trans	-60.5	-41.9	176.5	0	0	0	0	0	112.1	T42 S43 R49 F50	T42-A46 WeakPolarHBondContact O-CB 3.5Å; T42-A46 PolarHBondContact O-N 3.26Å; S43-A46 PolarHBondContact O-N 2.84Å; A46-R49 PolarHBondContact O-N 3.3Å; A46-F50 WeakPolarHBondContact O-CB 3.25Å; A46-F50 PolarHBondContact O-N 3.48Å
47	L	96.3	Very high	93.5	Very high	63 Å²	63	61.4 Å²	61.4	33%	0.33	34%	0.337	S	S	.	.	H	α-helix	trans	-61.1	-46	175.3	-178.8	64.3	0	0	0	111.8	S43 F44 H45 R49 F50 V51 F417 L467	S43-L47 WeakPolarHBondContact O-CB 3.48Å; S43-L47 PolarHBondContact O-N 2.87Å; F44-L47 HydrophobicContact CD1-CD2 4.29Å; F44-L47 PolarHBondContact O-N 3.49Å; H45-L47 VanDerWaalsContact C-N 3.33Å; H45-L47 PolarHBondContact O-N 3.04Å; L47-R49 VanDerWaalsContact C-N 3.32Å; L47-R49 PolarHBondContact O-N 3.33Å; L47-F50 WeakPolarHBondContact O-CB 3.47Å; L47-F50 PolarHBondContact O-N 2.89Å; L47-V51 HydrophobicContact CD1-CG2 4.42Å; L47-V51 WeakPolarHBondContact O-CG2 3.29Å; L47-V51 PolarHBondContact O-N 3.21Å; L47-F417 HydrophobicContact CB-CD1 4.44Å; L47-F417 HydrophobicContact CD2-CD1 4.36Å; L47-F417 HydrophobicContact CD2-CE1 4.17Å; L47-F417 HydrophobicContact CG-CD1 4.28Å; L47-F417 HydrophobicContact CG-CE1 4.08Å; L47-L467 HydrophobicContact CD2-CD2 4.28Å
48	G	95.8	Very high	94.2	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-61.6	-40.6	177.6	0	0	0	0	0	112.2	F44 H45 A52 F417	F44-G48 PolarHBondContact O-N 3.06Å; H45-G48 PolarHBondContact O-N 2.84Å; G48-A52 VanDerWaalsContact O-CB 3.28Å; G48-A52 WeakPolarHBondContact O-CB 3.39Å; G48-A52 PolarHBondContact O-N 2.83Å; G48-F417 VanDerWaalsContact CA-CD1 3.48Å; G48-F417 VanDerWaalsContact CA-CG 3.5Å
49	R	96.3	Very high	94.7	Very high	135 Å²	135	58.5 Å²	58.5	51%	0.509	32%	0.317	S	S	.	.	H	α-helix	trans	-64.9	-39.6	174.7	-166.8	174.4	176.4	105.2	-4.3	112	H45 A46 L47 A52 G53 E411 A414	H45-R49 PolarHBondContact O-N 2.97Å; A46-R49 PolarHBondContact O-N 3.3Å; L47-R49 VanDerWaalsContact C-N 3.32Å; L47-R49 PolarHBondContact O-N 3.33Å; R49-A52 PolarHBondContact O-N 2.98Å; R49-G53 PolarHBondContact O-N 2.86Å; R49-E411 IonicContact CZ-OE2 3.38Å; R49-E411 IonicContact NH1-OE2 3.95Å; R49-E411 PolarHBondContact NH1-OE2 2.96Å; R49-A414 HydrophobicContact CB-CB 4.04Å
50	F	96.8	Very high	95.1	Very high	110 Å²	110	59.6 Å²	59.6	48%	0.482	32%	0.32	S	S	.	.	H	α-helix	trans	-64.9	-47.2	176.8	176.7	-111	0	0	0	112.4	A46 L47 A52 G53 H54 F58	A46-F50 WeakPolarHBondContact O-CB 3.25Å; A46-F50 PolarHBondContact O-N 3.48Å; L47-F50 WeakPolarHBondContact O-CB 3.47Å; L47-F50 PolarHBondContact O-N 2.89Å; F50-A52 VanDerWaalsContact C-N 3.35Å; F50-A52 PolarHBondContact O-N 3.44Å; F50-G53 PolarHBondContact O-N 3.2Å; F50-G53 VanDerWaalsContact O-N 3.15Å; F50-H54 AromaticContact CD2-CE1 3.96Å; F50-H54 AromaticContact CD2-ND1 3.81Å; F50-H54 AromaticContact CE2-CE1 3.66Å; F50-H54 AromaticContact CE2-ND1 3.66Å; F50-H54 PolarHBondContact O-N 3.29Å; F50-H54 PolarHBondContact O-ND1 2.98Å; F50-H54 VanDerWaalsContact O-ND1 3.12Å; F50-F58 HydrophobicContact CD1-CE2 4.16Å; F50-F58 HydrophobicContact CD1-CZ 4.2Å; F50-F58 AromaticContact CE1-CE2 3.87Å; F50-F58 HydrophobicContact CE1-CE2 3.87Å; F50-F58 AromaticContact CE1-CZ 3.67Å; F50-F58 HydrophobicContact CE1-CZ 3.67Å; F50-F58 HydrophobicContact CZ-CZ 4.49Å
51	V	96.3	Very high	95.4	Very high	4 Å²	4	58.2 Å²	58.2	2%	0.024	32%	0.317	C	S	.	.	H	α-helix	trans	-61.4	-44.6	175.7	173.4	0	0	0	0	110.4	L47 G53 H54 A55 F58	L47-V51 HydrophobicContact CD1-CG2 4.42Å; L47-V51 WeakPolarHBondContact O-CG2 3.29Å; L47-V51 PolarHBondContact O-N 3.21Å; V51-G53 PolarHBondContact O-N 3.2Å; V51-H54 CarbonylContact O-C 3.35Å; V51-H54 PolarHBondContact O-N 3.17Å; V51-H54 VanDerWaalsContact O-N 3.08Å; V51-A55 WeakPolarHBondContact O-CA 3.45Å; V51-A55 PolarHBondContact O-N 3.03Å; V51-A55 VanDerWaalsContact O-N 3.1Å; V51-F58 HydrophobicContact CB-CD2 4.34Å; V51-F58 HydrophobicContact CG1-CB 4.36Å; V51-F58 HydrophobicContact CG1-CD2 4.15Å; V51-F58 HydrophobicContact CG1-CG 4.31Å; V51-F58 HydrophobicContact CG2-CD2 4.32Å; V51-F58 HydrophobicContact CG2-CE2 4.23Å; V51-F58 HydrophobicContact CG2-CZ 4.49Å
52	A	94.9	Very high	95.7	Very high	4 Å²	4	53.9 Å²	53.9	3%	0.033	30%	0.302	C	S	.	.	H	α-helix	trans	-66.2	-25.5	176.9	0	0	0	0	0	113.5	G48 R49 F50 H54 K410 V413 V475	G48-A52 VanDerWaalsContact O-CB 3.28Å; G48-A52 WeakPolarHBondContact O-CB 3.39Å; G48-A52 PolarHBondContact O-N 2.83Å; R49-A52 PolarHBondContact O-N 2.98Å; F50-A52 VanDerWaalsContact C-N 3.35Å; F50-A52 PolarHBondContact O-N 3.44Å; A52-H54 VanDerWaalsContact C-N 3.34Å; A52-K410 HydrophobicContact CB-CB 4.1Å; A52-K410 HydrophobicContact CB-CG 3.96Å; A52-V413 HydrophobicContact CB-CB 4.07Å; A52-V413 HydrophobicContact CB-CG1 4.2Å; A52-V475 HydrophobicContact CB-CG2 3.86Å
53	G	95.1	Very high	95.9	Very high	36 Å²	36	51.8 Å²	51.8	37%	0.371	29%	0.289	S	S	.	.	H	α-helix	trans	-67.8	-31.5	171.2	0	0	0	0	0	113.6	R49 F50 V51	R49-G53 PolarHBondContact O-N 2.86Å; F50-G53 PolarHBondContact O-N 3.2Å; F50-G53 VanDerWaalsContact O-N 3.15Å; V51-G53 PolarHBondContact O-N 3.2Å
54	H	96.4	Very high	96	Very high	100 Å²	100	53.1 Å²	53.1	46%	0.463	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	36.7	-171.9	-56.8	89.2	0	0	0	112.8	F50 V51 A52 V56 F57 F58	F50-H54 AromaticContact CD2-CE1 3.96Å; F50-H54 AromaticContact CD2-ND1 3.81Å; F50-H54 AromaticContact CE2-CE1 3.66Å; F50-H54 AromaticContact CE2-ND1 3.66Å; F50-H54 PolarHBondContact O-N 3.29Å; F50-H54 PolarHBondContact O-ND1 2.98Å; F50-H54 VanDerWaalsContact O-ND1 3.12Å; V51-H54 CarbonylContact O-C 3.35Å; V51-H54 PolarHBondContact O-N 3.17Å; V51-H54 VanDerWaalsContact O-N 3.08Å; A52-H54 VanDerWaalsContact C-N 3.34Å; H54-V56 VanDerWaalsContact C-N 3.26Å; H54-V56 PolarHBondContact O-N 3.33Å; H54-V56 VanDerWaalsContact O-N 3.14Å; H54-F57 PolarHBondContact O-N 2.82Å; H54-F57 VanDerWaalsContact O-N 3.14Å; H54-F58 HydrophobicContact CB-CD2 3.99Å; H54-F58 HydrophobicContact CB-CE2 3.99Å; H54-F58 WeakPolarHBondContact O-CD2 3.27Å; H54-F58 PolarHBondContact O-N 3.4Å
55	A	94.4	Very high	96	Very high	10 Å²	10	55.7 Å²	55.7	8%	0.083	30%	0.304	C	S	.	.	H	α-helix	trans	-59	-30.9	-170.4	0	0	0	0	0	114.5	V51 A59 S472 V475 F476	V51-A55 WeakPolarHBondContact O-CA 3.45Å; V51-A55 PolarHBondContact O-N 3.03Å; V51-A55 VanDerWaalsContact O-N 3.1Å; A55-A59 VanDerWaalsContact O-CB 3.29Å; A55-A59 WeakPolarHBondContact O-CB 3.25Å; A55-A59 PolarHBondContact O-N 3.38Å; A55-S472 WeakPolarHBondContact O-CB 3.47Å; A55-S472 PolarHBondContact O-OG 3.34Å; A55-V475 HydrophobicContact CB-CB 3.99Å; A55-V475 HydrophobicContact CB-CG1 3.83Å; A55-V475 HydrophobicContact CB-CG2 4.19Å; A55-F476 HydrophobicContact CB-CZ 4.32Å
56	V	95.7	Very high	96.1	Very high	103 Å²	103	53.8 Å²	53.8	62%	0.624	30%	0.295	S	S	*	.	H	α-helix	trans	-64.8	-47.2	177.8	179.7	0	0	0	0	110.8	H54 A59 S60 F476	H54-V56 VanDerWaalsContact C-N 3.26Å; H54-V56 PolarHBondContact O-N 3.33Å; H54-V56 VanDerWaalsContact O-N 3.14Å; V56-A59 PolarHBondContact O-N 3.03Å; V56-S60 PolarHBondContact O-N 3.29Å; V56-S60 PolarHBondContact O-OG 2.82Å; V56-S60 VanDerWaalsContact O-OG 3.11Å; V56-F476 HydrophobicContact CG2-CE1 4.39Å; V56-F476 HydrophobicContact CG2-CZ 4.11Å
57	F	96.3	Very high	96	Very high	127 Å²	127	56 Å²	56	56%	0.557	30%	0.298	S	S	*	.	H	α-helix	trans	-61.5	-47.8	178.1	172.1	-98.9	0	0	0	111.5	H54 A59 S60 A61	H54-F57 PolarHBondContact O-N 2.82Å; H54-F57 VanDerWaalsContact O-N 3.14Å; F57-A59 PolarHBondContact O-N 2.82Å; F57-S60 PolarHBondContact O-N 3.16Å; F57-S60 PolarHBondContact O-OG 2.94Å; F57-A61 HydrophobicContact CD2-CB 4.48Å; F57-A61 HydrophobicContact CE2-CB 4.18Å; F57-A61 HydrophobicContact CZ-CB 4.21Å; F57-A61 VanDerWaalsContact O-CB 3.26Å; F57-A61 WeakPolarHBondContact O-CB 3.41Å; F57-A61 PolarHBondContact O-N 3.22Å
58	F	96.5	Very high	95.9	Very high	39 Å²	39	59.3 Å²	59.3	17%	0.171	32%	0.315	C	S	.	.	H	α-helix	trans	-70.7	-14.8	-179.9	-75.2	-66.1	0	0	0	114	F50 V51 H54 P62 S468 F469 S472	F50-F58 HydrophobicContact CD1-CE2 4.16Å; F50-F58 HydrophobicContact CD1-CZ 4.2Å; F50-F58 AromaticContact CE1-CE2 3.87Å; F50-F58 HydrophobicContact CE1-CE2 3.87Å; F50-F58 AromaticContact CE1-CZ 3.67Å; F50-F58 HydrophobicContact CE1-CZ 3.67Å; F50-F58 HydrophobicContact CZ-CZ 4.49Å; V51-F58 HydrophobicContact CB-CD2 4.34Å; V51-F58 HydrophobicContact CG1-CB 4.36Å; V51-F58 HydrophobicContact CG1-CD2 4.15Å; V51-F58 HydrophobicContact CG1-CG 4.31Å; V51-F58 HydrophobicContact CG2-CD2 4.32Å; V51-F58 HydrophobicContact CG2-CE2 4.23Å; V51-F58 HydrophobicContact CG2-CZ 4.49Å; H54-F58 HydrophobicContact CB-CD2 3.99Å; H54-F58 HydrophobicContact CB-CE2 3.99Å; H54-F58 WeakPolarHBondContact O-CD2 3.27Å; H54-F58 PolarHBondContact O-N 3.4Å; F58-P62 WeakPolarHBondContact O-CD 3.46Å; F58-P62 WeakPolarHBondContact O-CG 3.43Å; F58-S468 CarbonylContact O-C 3.6Å; F58-F469 WeakPolarHBondContact O-CA 3.48Å; F58-F469 PolarHBondContact O-N 3.08Å; F58-S472 WeakPolarHBondContact CB-OG 3.37Å
59	A	95.3	Very high	95.9	Very high	18 Å²	18	60.8 Å²	60.8	15%	0.149	32%	0.323	C	S	.	.	H	α-helix	trans	-86.3	-42.5	169.1	0	0	0	0	0	112.7	A55 V56 F57 V63 F469 F476	A55-A59 VanDerWaalsContact O-CB 3.29Å; A55-A59 WeakPolarHBondContact O-CB 3.25Å; A55-A59 PolarHBondContact O-N 3.38Å; V56-A59 PolarHBondContact O-N 3.03Å; F57-A59 PolarHBondContact O-N 2.82Å; A59-V63 WeakPolarHBondContact O-CG2 3.46Å; A59-F469 WeakPolarHBondContact O-CD2 3.49Å; A59-F476 HydrophobicContact CB-CE2 3.87Å
60	S	96.3	Very high	95.8	Very high	53 Å²	53	55.1 Å²	55.1	37%	0.371	31%	0.306	S	S	.	.	H	α-helix	trans	-80.6	-37.8	-175.4	61.1	0	0	0	0	113.5	V56 F57 V63 L64	V56-S60 PolarHBondContact O-N 3.29Å; V56-S60 PolarHBondContact O-OG 2.82Å; V56-S60 VanDerWaalsContact O-OG 3.11Å; F57-S60 PolarHBondContact O-N 3.16Å; F57-S60 PolarHBondContact O-OG 2.94Å; S60-V63 PolarHBondContact O-N 2.71Å; S60-L64 WeakPolarHBondContact O-CG 3.22Å; S60-L64 PolarHBondContact O-N 3.1Å
61	A	96.1	Very high	95.6	Very high	31 Å²	31	53.2 Å²	53.2	26%	0.256	31%	0.311	S	S	.	.	H	α-helix	trans	-63	-45.4	-174.6	0	0	0	0	0	113.4	F57 V63 L64 L65	F57-A61 HydrophobicContact CD2-CB 4.48Å; F57-A61 HydrophobicContact CE2-CB 4.18Å; F57-A61 HydrophobicContact CZ-CB 4.21Å; F57-A61 VanDerWaalsContact O-CB 3.26Å; F57-A61 WeakPolarHBondContact O-CB 3.41Å; F57-A61 PolarHBondContact O-N 3.22Å; A61-V63 VanDerWaalsContact C-N 3.32Å; A61-V63 PolarHBondContact O-N 3.06Å; A61-L64 PolarHBondContact O-N 2.86Å; A61-L65 VanDerWaalsContact O-CB 3.29Å; A61-L65 WeakPolarHBondContact O-CB 3.22Å; A61-L65 PolarHBondContact O-N 3.48Å
62	P	96.4	Very high	95.4	Very high	8 Å²	8	53.3 Å²	53.3	5%	0.052	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-38.1	175.1	-27.6	39.1	0	0	0	113.3	F58 L65 A66 Y465 F469	F58-P62 WeakPolarHBondContact O-CD 3.46Å; F58-P62 WeakPolarHBondContact O-CG 3.43Å; P62-L65 PolarHBondContact O-N 3.32Å; P62-A66 VanDerWaalsContact O-CB 3.32Å; P62-A66 WeakPolarHBondContact O-CB 3.33Å; P62-A66 PolarHBondContact O-N 2.97Å; P62-Y465 HydrophobicContact CB-CD1 4.12Å; P62-Y465 HydrophobicContact CB-CD2 4.21Å; P62-Y465 HydrophobicContact CB-CE1 3.8Å; P62-Y465 HydrophobicContact CB-CE2 3.91Å; P62-Y465 HydrophobicContact CB-CG 4.32Å; P62-Y465 PolarHBondContact O-OH 3.29Å; P62-Y465 VanDerWaalsContact O-OH 3.05Å; P62-F469 HydrophobicContact CB-CB 4.06Å; P62-F469 HydrophobicContact CG-CB 4.04Å
63	V	96.8	Very high	95.1	Very high	47 Å²	47	57.5 Å²	57.5	29%	0.285	33%	0.33	S	S	.	.	H	α-helix	trans	-65.5	-48.2	178.3	177.2	0	0	0	0	110.8	A59 S60 A61 L65 A66 I67 L358 F469	A59-V63 WeakPolarHBondContact O-CG2 3.46Å; S60-V63 PolarHBondContact O-N 2.71Å; A61-V63 VanDerWaalsContact C-N 3.32Å; A61-V63 PolarHBondContact O-N 3.06Å; V63-L65 VanDerWaalsContact C-N 3.34Å; V63-L65 PolarHBondContact O-N 3.5Å; V63-A66 PolarHBondContact O-N 3.32Å; V63-I67 HydrophobicContact CG1-CD1 3.94Å; V63-I67 VanDerWaalsContact O-CG1 3.32Å; V63-I67 WeakPolarHBondContact O-CG1 3.32Å; V63-I67 PolarHBondContact O-N 3.41Å; V63-L358 HydrophobicContact CG2-CD1 3.86Å; V63-F469 HydrophobicContact CG2-CD2 4.01Å; V63-F469 HydrophobicContact CG2-CE2 3.62Å
64	L	96.3	Very high	94.8	Very high	103 Å²	103	60.9 Å²	60.9	54%	0.539	35%	0.348	S	S	.	.	H	α-helix	trans	-61.4	-44	177.4	-70.5	170.6	0	0	0	111.4	S60 A61 A66 I67 L68	S60-L64 WeakPolarHBondContact O-CG 3.22Å; S60-L64 PolarHBondContact O-N 3.1Å; A61-L64 PolarHBondContact O-N 2.86Å; L64-A66 VanDerWaalsContact C-N 3.34Å; L64-A66 PolarHBondContact O-N 3Å; L64-I67 PolarHBondContact O-N 3.33Å; L64-L68 WeakPolarHBondContact O-CB 3.32Å; L64-L68 VanDerWaalsContact O-CG 3.29Å; L64-L68 WeakPolarHBondContact O-CG 3.32Å; L64-L68 PolarHBondContact O-N 2.86Å
65	L	96.2	Very high	94.4	Very high	81 Å²	81	64 Å²	64	42%	0.424	36%	0.355	S	S	.	.	H	α-helix	trans	-60.9	-43.5	177.4	-178	62.1	0	0	0	111.7	A61 P62 V63 L68 L69 T362	A61-L65 VanDerWaalsContact O-CB 3.29Å; A61-L65 WeakPolarHBondContact O-CB 3.22Å; A61-L65 PolarHBondContact O-N 3.48Å; P62-L65 PolarHBondContact O-N 3.32Å; V63-L65 VanDerWaalsContact C-N 3.34Å; V63-L65 PolarHBondContact O-N 3.5Å; L65-L68 PolarHBondContact O-N 3.22Å; L65-L69 HydrophobicContact CD1-CD1 3.63Å; L65-L69 HydrophobicContact CD1-CG 4.13Å; L65-L69 HydrophobicContact CG-CD1 3.87Å; L65-L69 WeakPolarHBondContact O-CB 3.44Å; L65-L69 WeakPolarHBondContact O-CG 3.39Å; L65-L69 PolarHBondContact O-N 3.16Å; L65-T362 HydrophobicContact CD2-CG2 4.44Å; L65-T362 HydrophobicContact CG-CG2 4.42Å
66	A	96.6	Very high	94	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-64.3	-38.9	177.3	0	0	0	0	0	112.5	P62 V63 L64 G70 L358 L361 T362	P62-A66 VanDerWaalsContact O-CB 3.32Å; P62-A66 WeakPolarHBondContact O-CB 3.33Å; P62-A66 PolarHBondContact O-N 2.97Å; V63-A66 PolarHBondContact O-N 3.32Å; L64-A66 VanDerWaalsContact C-N 3.34Å; L64-A66 PolarHBondContact O-N 3Å; A66-G70 WeakPolarHBondContact O-CA 3.34Å; A66-G70 PolarHBondContact O-N 3.46Å; A66-L358 HydrophobicContact CB-CB 4.16Å; A66-L358 HydrophobicContact CB-CD2 3.8Å; A66-L361 HydrophobicContact CB-CD2 4.35Å; A66-L361 WeakPolarHBondContact O-CD2 3.32Å; A66-T362 VanDerWaalsContact CA-OG1 3.22Å; A66-T362 WeakPolarHBondContact CA-OG1 3.26Å; A66-T362 VanDerWaalsContact CB-OG1 3.27Å; A66-T362 WeakPolarHBondContact CB-OG1 3.46Å
67	I	94.9	Very high	93.6	Very high	105 Å²	105	71.3 Å²	71.3	54%	0.538	37%	0.37	S	S	.	.	H	α-helix	trans	-67.1	-47.5	176	-67.5	166.4	0	0	0	110.7	V63 L64 G70 A71	V63-I67 HydrophobicContact CG1-CD1 3.94Å; V63-I67 VanDerWaalsContact O-CG1 3.32Å; V63-I67 WeakPolarHBondContact O-CG1 3.32Å; V63-I67 PolarHBondContact O-N 3.41Å; L64-I67 PolarHBondContact O-N 3.33Å; I67-G70 PolarHBondContact O-N 3.13Å; I67-A71 PolarHBondContact O-N 2.94Å; I67-A71 VanDerWaalsContact O-N 3.12Å
68	L	95.4	Very high	93.1	Very high	132 Å²	132	68 Å²	68	69%	0.691	36%	0.36	S	S	*	.	H	α-helix	trans	-60.8	-48.1	-179.9	-73.9	169.2	0	0	0	111.7	L64 L65 G70 A71	L64-L68 WeakPolarHBondContact O-CB 3.32Å; L64-L68 VanDerWaalsContact O-CG 3.29Å; L64-L68 WeakPolarHBondContact O-CG 3.32Å; L64-L68 PolarHBondContact O-N 2.86Å; L65-L68 PolarHBondContact O-N 3.22Å; L68-G70 VanDerWaalsContact C-N 3.34Å; L68-A71 WeakPolarHBondContact O-CB 3.49Å; L68-A71 PolarHBondContact O-N 2.84Å
69	L	95.3	Very high	92.5	Very high	31 Å²	31	68.3 Å²	68.3	16%	0.162	36%	0.362	C	S	.	.	H	α-helix	trans	-72.1	-30.6	177	-69.2	170	0	0	0	111.8	L65 A71 S72 T362 G365 I366 L369	L65-L69 HydrophobicContact CD1-CD1 3.63Å; L65-L69 HydrophobicContact CD1-CG 4.13Å; L65-L69 HydrophobicContact CG-CD1 3.87Å; L65-L69 WeakPolarHBondContact O-CB 3.44Å; L65-L69 WeakPolarHBondContact O-CG 3.39Å; L65-L69 PolarHBondContact O-N 3.16Å; L69-A71 PolarHBondContact O-N 2.88Å; L69-S72 VanDerWaalsContact O-CB 3.3Å; L69-S72 WeakPolarHBondContact O-CB 3.23Å; L69-S72 PolarHBondContact O-N 3.42Å; L69-S72 VanDerWaalsContact O-N 3.12Å; L69-S72 PolarHBondContact O-OG 3.4Å; L69-T362 HydrophobicContact CD1-CG2 3.57Å; L69-G365 VanDerWaalsContact O-CA 3.24Å; L69-G365 WeakPolarHBondContact O-CA 3.49Å; L69-I366 HydrophobicContact CD1-CD1 4.25Å; L69-I366 HydrophobicContact CD1-CG1 3.92Å; L69-I366 HydrophobicContact CD2-CG1 4.29Å; L69-L369 HydrophobicContact CD2-CD1 3.56Å
70	G	93	Very high	91.4	Very high	15 Å²	15	68.7 Å²	68.7	16%	0.155	37%	0.368	C	S	.	.	H	α-helix	trans	-62.6	-26.9	174	0	0	0	0	0	113.7	A66 I67 L68 S72 F73	A66-G70 WeakPolarHBondContact O-CA 3.34Å; A66-G70 PolarHBondContact O-N 3.46Å; I67-G70 PolarHBondContact O-N 3.13Å; L68-G70 VanDerWaalsContact C-N 3.34Å; G70-S72 PolarHBondContact O-N 2.89Å; G70-S72 VanDerWaalsContact O-N 3.13Å; G70-F73 VanDerWaalsContact O-CD2 3.27Å; G70-F73 WeakPolarHBondContact O-CD2 3.5Å; G70-F73 PolarHBondContact O-N 3.36Å
71	A	92.7	Very high	90.7	Very high	70 Å²	70	69.7 Å²	69.7	58%	0.579	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-62.4	-18.8	174.1	0	0	0	0	0	113.3	I67 L68 L69 F73 S74	I67-A71 PolarHBondContact O-N 2.94Å; I67-A71 VanDerWaalsContact O-N 3.12Å; L68-A71 WeakPolarHBondContact O-CB 3.49Å; L68-A71 PolarHBondContact O-N 2.84Å; L69-A71 PolarHBondContact O-N 2.88Å; A71-F73 PolarHBondContact O-N 3.14Å; A71-S74 PolarHBondContact O-N 3.02Å; A71-S74 PolarHBondContact O-OG 2.9Å
72	S	93.1	Very high	90.1	Very high	7 Å²	7	68.7 Å²	68.7	5%	0.049	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-71	-7.9	178.3	79.9	0	0	0	0	114.1	L69 G70 S74 R75 G365 N368	L69-S72 VanDerWaalsContact O-CB 3.3Å; L69-S72 WeakPolarHBondContact O-CB 3.23Å; L69-S72 PolarHBondContact O-N 3.42Å; L69-S72 VanDerWaalsContact O-N 3.12Å; L69-S72 PolarHBondContact O-OG 3.4Å; G70-S72 PolarHBondContact O-N 2.89Å; G70-S72 VanDerWaalsContact O-N 3.13Å; S72-S74 PolarHBondContact O-N 3.44Å; S72-S74 VanDerWaalsContact O-N 3.08Å; S72-R75 PolarHBondContact O-N 3.34Å; S72-G365 VanDerWaalsContact OG-CA 3.23Å; S72-G365 WeakPolarHBondContact OG-CA 3.44Å; S72-G365 PolarHBondContact OG-O 3.19Å; S72-N368 WeakPolarHBondContact OG-CB 3.19Å
73	F	89.1	Confident	89.4	Confident	92 Å²	92	72.2 Å²	72.2	40%	0.404	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-59.4	-16.3	170.7	-87.1	-98.9	0	0	0	113.2	G70 A71 R75 Y76 L361 A364	G70-F73 VanDerWaalsContact O-CD2 3.27Å; G70-F73 WeakPolarHBondContact O-CD2 3.5Å; G70-F73 PolarHBondContact O-N 3.36Å; A71-F73 PolarHBondContact O-N 3.14Å; F73-R75 PolarHBondContact O-N 3.47Å; F73-Y76 HydrophobicContact CD1-CD2 4.45Å; F73-Y76 WeakPolarHBondContact O-CB 3.37Å; F73-Y76 PolarHBondContact O-N 2.88Å; F73-Y76 VanDerWaalsContact O-N 3.1Å; F73-L361 HydrophobicContact CD2-CD1 4.28Å; F73-L361 HydrophobicContact CE2-CD1 3.66Å; F73-L361 HydrophobicContact CZ-CD1 4.35Å; F73-A364 HydrophobicContact CE2-CB 3.87Å; F73-A364 HydrophobicContact CZ-CB 3.63Å
74	S	88.1	Confident	88.8	Confident	107 Å²	107	71.9 Å²	71.9	75%	0.748	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-56.7	-25.8	165.9	54.9	0	0	0	0	113.8	A71 S72	A71-S74 PolarHBondContact O-N 3.02Å; A71-S74 PolarHBondContact O-OG 2.9Å; S72-S74 PolarHBondContact O-N 3.44Å; S72-S74 VanDerWaalsContact O-N 3.08Å
75	R	87.6	Confident	88.3	Confident	166 Å²	166	67.1 Å²	67.1	63%	0.626	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-98.1	13.1	177.2	-60.7	-173.9	179.4	-169.9	0.1	113.6	S72 F73 R77	S72-R75 PolarHBondContact O-N 3.34Å; F73-R75 PolarHBondContact O-N 3.47Å; R75-R77 PolarHBondContact O-N 2.9Å
76	Y	87	Confident	87.6	Confident	97 Å²	97	63.3 Å²	63.3	38%	0.38	33%	0.33	S	S	.	.			trans	-57.9	125.3	-178.5	176.3	-99.1	0	0	0	111.9	F73 V78 Y374	F73-Y76 HydrophobicContact CD1-CD2 4.45Å; F73-Y76 WeakPolarHBondContact O-CB 3.37Å; F73-Y76 PolarHBondContact O-N 2.88Å; F73-Y76 VanDerWaalsContact O-N 3.1Å; Y76-V78 HydrophobicContact CD1-CG2 4.27Å; Y76-V78 HydrophobicContact CE1-CG2 3.43Å; Y76-V78 VanDerWaalsContact CE1-CG2 3.43Å; Y76-Y374 VanDerWaalsContact CE2-CB 3.42Å; Y76-Y374 AromaticContact CE2-CD2 3.95Å; Y76-Y374 HydrophobicContact CE2-CD2 3.95Å; Y76-Y374 AromaticContact CE2-CG 3.72Å; Y76-Y374 HydrophobicContact CE2-CG 3.72Å; Y76-Y374 AromaticContact CZ-CG 3.7Å; Y76-Y374 WeakPolarHBondContact OH-CB 3.26Å; Y76-Y374 WeakPolarHBondContact OH-CD1 3.49Å
77	R	87.1	Confident	86.9	Confident	169 Å²	169	63.3 Å²	63.3	64%	0.638	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123	140.8	177.6	-68.1	179.2	-177.4	-175.2	0.1	109.8	R75 T373 Y374	R75-R77 PolarHBondContact O-N 2.9Å; R77-T373 HydrophobicContact CB-CG2 4.09Å; R77-T373 CarbonylContact O-C 3.58Å; R77-T373 WeakPolarHBondContact O-CA 3.27Å; R77-Y374 PolarHBondContact O-N 2.9Å
78	V	86.3	Confident	86.3	Confident	57 Å²	57	58.4 Å²	58.4	35%	0.345	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	132	177.2	-178.4	0	0	0	0	108.9	Y76 G80 Q311	Y76-V78 HydrophobicContact CD1-CG2 4.27Å; Y76-V78 HydrophobicContact CE1-CG2 3.43Å; Y76-V78 VanDerWaalsContact CE1-CG2 3.43Å; V78-G80 PolarHBondContact O-N 3.48Å; V78-Q311 VanDerWaalsContact CG1-CD 3.45Å; V78-Q311 HydrophobicContact CG1-CG 4.05Å; V78-Q311 VanDerWaalsContact CG1-NE2 3.31Å
79	E	83.8	Confident	85.6	Confident	46 Å²	46	56.9 Å²	56.9	22%	0.215	29%	0.293	C	S	.	.			trans	-60.5	133.8	178.6	-171.9	50	-105.4	0	0	110.5	L85 T373 Y374	E79-L85 HydrophobicContact CB-CD1 4.08Å; E79-L85 HydrophobicContact CG-CD1 3.65Å; E79-L85 HydrophobicContact CG-CD2 4.08Å; E79-L85 HydrophobicContact CG-CG 3.89Å; E79-T373 VanDerWaalsContact OE2-CB 3.32Å; E79-T373 WeakPolarHBondContact OE2-CB 3.12Å; E79-T373 PolarHBondContact OE2-OG1 2.96Å; E79-Y374 PolarHBondContact N-O 3.45Å
80	G	71.7	Confident	85	Confident	26 Å²	26	62 Å²	62	27%	0.268	32%	0.316	S	S	.	.			trans	-98.8	-22.9	-167.1	0	0	0	0	0	115.5	V78 R307	V78-G80 PolarHBondContact O-N 3.48Å; G80-R307 VanDerWaalsContact CA-NH2 3.33Å; G80-R307 WeakPolarHBondContact O-CD 3.43Å; G80-R307 PolarHBondContact O-NE 3.1Å; G80-R307 PolarHBondContact O-NH1 3.27Å
81	D	81.2	Confident	84.5	Confident	74 Å²	74	61.8 Å²	61.8	40%	0.396	31%	0.312	S	S	.	.			trans	-114.3	111.9	-175.9	177.3	21.9	0	0	0	110.4	E83 S84 L85	D81-E83 WeakPolarHBondContact OD1-CB 3.48Å; D81-E83 PolarHBondContact OD1-N 3.11Å; D81-S84 WeakPolarHBondContact CB-OG 3.48Å; D81-S84 VanDerWaalsContact CG-OG 3.24Å; D81-S84 PolarHBondContact O-OG 3.45Å; D81-S84 WeakPolarHBondContact OD2-CB 3.45Å; D81-S84 PolarHBondContact OD2-N 3.37Å; D81-S84 PolarHBondContact OD2-OG 2.86Å; D81-L85 WeakPolarHBondContact O-CG 3.45Å
82	V	83.1	Confident	84.1	Confident	9 Å²	9	62.7 Å²	62.7	6%	0.055	31%	0.306	C	S	.	.	H	α-helix	trans	-78.1	-27.5	179.3	178.4	0	0	0	0	111	L85 L86 L306 R307 F310	V82-L85 PolarHBondContact O-N 2.92Å; V82-L86 HydrophobicContact CG1-CD1 3.47Å; V82-L86 VanDerWaalsContact CG1-CD1 3.47Å; V82-L86 HydrophobicContact CG1-CG 3.89Å; V82-L86 WeakPolarHBondContact O-CB 3.47Å; V82-L86 WeakPolarHBondContact O-CG 3.41Å; V82-L86 PolarHBondContact O-N 2.81Å; V82-L306 HydrophobicContact CG1-CD2 4.13Å; V82-L306 HydrophobicContact CG1-CG 4.33Å; V82-R307 HydrophobicContact CG2-CB 3.92Å; V82-R307 HydrophobicContact CG2-CG 4.19Å; V82-F310 HydrophobicContact CG2-CD1 4.32Å
83	E	82.8	Confident	83.7	Confident	82 Å²	82	62.3 Å²	62.3	38%	0.383	30%	0.304	S	S	.	.	H	α-helix	trans	-66.6	-49.9	-179.8	-180	173.7	153.3	0	0	110.5	D81 L85 L86 A87 Y736	D81-E83 WeakPolarHBondContact OD1-CB 3.48Å; D81-E83 PolarHBondContact OD1-N 3.11Å; E83-L85 PolarHBondContact O-N 3.38Å; E83-L86 PolarHBondContact O-N 3.26Å; E83-A87 HydrophobicContact CG-CB 4.26Å; E83-A87 WeakPolarHBondContact O-CB 3.33Å; E83-A87 PolarHBondContact O-N 3.24Å; E83-Y736 WeakPolarHBondContact CB-OH 3.49Å; E83-Y736 WeakPolarHBondContact CG-OH 3.26Å
84	S	83.4	Confident	83.6	Confident	40 Å²	40	60 Å²	60	28%	0.28	29%	0.294	S	S	.	.	H	α-helix	trans	-59.8	-29.5	176.5	55	0	0	0	0	113.7	D81 E446	D81-S84 WeakPolarHBondContact CB-OG 3.48Å; D81-S84 VanDerWaalsContact CG-OG 3.24Å; D81-S84 PolarHBondContact O-OG 3.45Å; D81-S84 WeakPolarHBondContact OD2-CB 3.45Å; D81-S84 PolarHBondContact OD2-N 3.37Å; D81-S84 PolarHBondContact OD2-OG 2.86Å; S84-E446 WeakPolarHBondContact O-CB 3.42Å
85	L	85.1	Confident	83.6	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-72.5	-46.5	175.9	-73.4	177.1	0	0	0	112.8	E79 D81 V82 E83 N375 A447 L450	E79-L85 HydrophobicContact CB-CD1 4.08Å; E79-L85 HydrophobicContact CG-CD1 3.65Å; E79-L85 HydrophobicContact CG-CD2 4.08Å; E79-L85 HydrophobicContact CG-CG 3.89Å; D81-L85 WeakPolarHBondContact O-CG 3.45Å; V82-L85 PolarHBondContact O-N 2.92Å; E83-L85 PolarHBondContact O-N 3.38Å; L85-N375 HydrophobicContact CD1-CB 3.87Å; L85-A447 HydrophobicContact CB-CB 4.25Å; L85-A447 HydrophobicContact CD2-CB 4.46Å; L85-A447 WeakPolarHBondContact O-CB 3.41Å; L85-A447 PolarHBondContact O-N 2.95Å; L85-L450 HydrophobicContact CD2-CD1 3.81Å
86	L	82.4	Confident	83.7	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-91.5	-32	-170	-65.1	-173.7	0	0	0	113	V82 E83 M445 P575 L578 Y736 R739	V82-L86 HydrophobicContact CG1-CD1 3.47Å; V82-L86 VanDerWaalsContact CG1-CD1 3.47Å; V82-L86 HydrophobicContact CG1-CG 3.89Å; V82-L86 WeakPolarHBondContact O-CB 3.47Å; V82-L86 WeakPolarHBondContact O-CG 3.41Å; V82-L86 PolarHBondContact O-N 2.81Å; E83-L86 PolarHBondContact O-N 3.26Å; L86-M445 VanDerWaalsContact O-CE 3.25Å; L86-M445 WeakPolarHBondContact O-CE 3.46Å; L86-P575 HydrophobicContact CD1-CB 4.14Å; L86-L578 HydrophobicContact CD1-CD1 3.88Å; L86-L578 HydrophobicContact CD2-CD1 3.77Å; L86-L578 HydrophobicContact CG-CD1 4.49Å; L86-Y736 HydrophobicContact CB-CE1 4.37Å; L86-R739 PolarHBondContact O-NE 3.5Å; L86-R739 PolarHBondContact O-NH2 3.49Å
87	A	82.3	Confident	83.7	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	-77.9	149.9	178	0	0	0	0	0	111.9	E83 K89 V735	E83-A87 HydrophobicContact CG-CB 4.26Å; E83-A87 WeakPolarHBondContact O-CB 3.33Å; E83-A87 PolarHBondContact O-N 3.24Å; A87-K89 PolarHBondContact O-N 3.23Å; A87-V735 HydrophobicContact CB-CG1 3.52Å
88	P	81.8	Confident	83.8	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-55.6	140	167.8	23.5	-32.8	0	0	0	110.8	K94 N444 V735 D738	P88-K94 WeakPolarHBondContact O-CD 3.42Å; P88-K94 WeakPolarHBondContact O-CE 3.43Å; P88-K94 PolarHBondContact O-NZ 3Å; P88-N444 CarbonylContact C-O 3.56Å; P88-N444 WeakPolarHBondContact CA-O 3.44Å; P88-N444 WeakPolarHBondContact CB-ND2 3.28Å; P88-V735 WeakPolarHBondContact CD-O 3.35Å; P88-D738 HydrophobicContact CG-CB 4.4Å
89	K	80.7	Confident	84	Confident	101 Å²	101	46.6 Å²	46.6	44%	0.439	24%	0.243	S	C	.	.	S	Bend	trans	-72.7	-40.4	178.3	-174.3	169.2	-177.7	170.7	0	111.4	A87 N444 E446 R449	A87-K89 PolarHBondContact O-N 3.23Å; K89-N444 PolarHBondContact N-O 3.33Å; K89-N444 PolarHBondContact N-OD1 3.33Å; K89-E446 IonicContact NZ-OE2 2.74Å; K89-R449 VanDerWaalsContact CD-NH2 3.28Å
90	H	82.1	Confident	84.3	Confident	137 Å²	137	44.9 Å²	44.9	63%	0.634	24%	0.236	S	C	*	.	S	Bend	trans	-113	95.3	177.5	-56.8	-66.3	0	0	0	108.9	N444	H90-N444 PolarHBondContact N-OD1 3.2Å; H90-N444 PolarHBondContact O-ND2 2.95Å; H90-N444 PolarHBondContact O-OD1 3.47Å
91	S	82.2	Confident	84.9	Confident	11 Å²	11	49.9 Å²	49.9	8%	0.077	25%	0.253	C	S	.	.			trans	-132.8	153.1	172.9	60.6	0	0	0	0	110.7	A93 K94 I95	S91-A93 VanDerWaalsContact C-N 3.28Å; S91-A93 PolarHBondContact O-N 3.33Å; S91-K94 PolarHBondContact O-N 3.35Å; S91-K94 PolarHBondContact OG-N 2.8Å; S91-I95 PolarHBondContact O-N 3.38Å
92	L	85	Confident	85.3	Confident	89 Å²	89	50.3 Å²	50.3	47%	0.466	26%	0.262	S	S	.	.	H	α-helix	trans	-60	-43.6	176.1	-176.1	64.8	0	0	0	110.1	K94 I95 E96	L92-K94 VanDerWaalsContact C-N 3.27Å; L92-K94 PolarHBondContact O-N 3.27Å; L92-I95 PolarHBondContact O-N 3.04Å; L92-E96 HydrophobicContact CD1-CG 4.42Å; L92-E96 HydrophobicContact CG-CG 4.2Å; L92-E96 WeakPolarHBondContact O-CG 3.49Å; L92-E96 PolarHBondContact O-N 3.48Å
93	A	85.1	Confident	85.5	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-57.3	-34.8	177.2	0	0	0	0	0	113.6	S91 E96 G97 F730 F734 V735 D738	S91-A93 VanDerWaalsContact C-N 3.28Å; S91-A93 PolarHBondContact O-N 3.33Å; A93-E96 WeakPolarHBondContact CA-OE2 3.35Å; A93-G97 PolarHBondContact O-N 3.19Å; A93-F730 WeakPolarHBondContact O-CE2 3.47Å; A93-F734 HydrophobicContact CB-CB 4.15Å; A93-V735 HydrophobicContact CB-CG2 3.96Å; A93-D738 WeakPolarHBondContact CB-OD2 3.41Å; A93-D738 PolarHBondContact N-OD2 3.4Å
94	K	86.8	Confident	85.6	Confident	44 Å²	44	48.4 Å²	48.4	19%	0.191	25%	0.253	C	S	.	.	H	α-helix	trans	-71.1	-36.8	175.7	-82	-174	173.2	175	0	112.7	P88 S91 L92 G97 N98 V735	P88-K94 WeakPolarHBondContact O-CD 3.42Å; P88-K94 WeakPolarHBondContact O-CE 3.43Å; P88-K94 PolarHBondContact O-NZ 3Å; S91-K94 PolarHBondContact O-N 3.35Å; S91-K94 PolarHBondContact OG-N 2.8Å; L92-K94 VanDerWaalsContact C-N 3.27Å; L92-K94 PolarHBondContact O-N 3.27Å; K94-G97 PolarHBondContact O-N 3.2Å; K94-N98 WeakPolarHBondContact O-CB 3.32Å; K94-N98 PolarHBondContact O-N 3.48Å; K94-N98 PolarHBondContact O-ND2 3.09Å; K94-N98 PolarHBondContact O-OD1 3.44Å; K94-V735 HydrophobicContact CD-CG1 4.48Å; K94-V735 HydrophobicContact CG-CG1 3.98Å; K94-V735 HydrophobicContact CG-CG2 4.28Å
95	I	88.7	Confident	85.6	Confident	114 Å²	114	48.7 Å²	48.7	59%	0.585	25%	0.254	S	S	*	.	H	α-helix	trans	-67.3	-47.2	176.2	-61.4	168.4	0	0	0	109.5	S91 L92 G97 N98 L99	S91-I95 PolarHBondContact O-N 3.38Å; L92-I95 PolarHBondContact O-N 3.04Å; I95-G97 VanDerWaalsContact C-N 3.33Å; I95-G97 PolarHBondContact O-N 2.91Å; I95-N98 PolarHBondContact O-N 3.18Å; I95-L99 PolarHBondContact O-N 3.42Å
96	E	88.8	Confident	85.1	Confident	17 Å²	17	49.8 Å²	49.8	8%	0.079	26%	0.261	C	S	.	.	H	α-helix	trans	-57.3	-45.8	174.3	-69.6	169.7	152.4	0	0	110.8	L92 A93 L99 V100 R717 L728 F730	L92-E96 HydrophobicContact CD1-CG 4.42Å; L92-E96 HydrophobicContact CG-CG 4.2Å; L92-E96 WeakPolarHBondContact O-CG 3.49Å; L92-E96 PolarHBondContact O-N 3.48Å; A93-E96 WeakPolarHBondContact CA-OE2 3.35Å; E96-L99 PolarHBondContact O-N 3.49Å; E96-V100 VanDerWaalsContact O-CG2 3.3Å; E96-V100 WeakPolarHBondContact O-CG2 3.38Å; E96-V100 PolarHBondContact O-N 2.93Å; E96-R717 IonicContact OE2-NE 3.67Å; E96-R717 IonicContact OE2-NH2 3.88Å; E96-R717 PolarHBondContact OE2-NH2 2.93Å; E96-L728 HydrophobicContact CB-CD1 4.48Å; E96-F730 HydrophobicContact CB-CD2 4.11Å
97	G	88.3	Confident	84.6	Confident	9 Å²	9	54.6 Å²	54.6	9%	0.093	29%	0.287	C	S	.	.	H	α-helix	trans	-61.7	-45	177.6	0	0	0	0	0	113.6	A93 K94 I95 L99 V100 E101	A93-G97 PolarHBondContact O-N 3.19Å; K94-G97 PolarHBondContact O-N 3.2Å; I95-G97 VanDerWaalsContact C-N 3.33Å; I95-G97 PolarHBondContact O-N 2.91Å; G97-L99 VanDerWaalsContact C-N 3.32Å; G97-L99 PolarHBondContact O-N 2.95Å; G97-V100 PolarHBondContact O-N 3.01Å; G97-E101 WeakPolarHBondContact O-CB 3.47Å; G97-E101 PolarHBondContact O-N 2.79Å
98	N	89.2	Confident	83.8	Confident	109 Å²	109	60.8 Å²	60.8	58%	0.583	31%	0.31	S	S	*	.	H	α-helix	trans	-62.8	-39.2	176.4	-70.6	-12.7	0	0	0	111.9	K94 I95 E101 S102	K94-N98 WeakPolarHBondContact O-CB 3.32Å; K94-N98 PolarHBondContact O-N 3.48Å; K94-N98 PolarHBondContact O-ND2 3.09Å; K94-N98 PolarHBondContact O-OD1 3.44Å; I95-N98 PolarHBondContact O-N 3.18Å; N98-E101 PolarHBondContact O-N 2.99Å; N98-S102 WeakPolarHBondContact O-CB 3.38Å; N98-S102 PolarHBondContact O-N 3.11Å
99	L	90	Very high	82.8	Confident	64 Å²	64	60.7 Å²	60.7	34%	0.335	31%	0.31	S	S	.	.	H	α-helix	trans	-65.6	-44.7	175.8	179.4	59.1	0	0	0	111	I95 E96 G97 E101 S102 L103 L728	I95-L99 PolarHBondContact O-N 3.42Å; E96-L99 PolarHBondContact O-N 3.49Å; G97-L99 VanDerWaalsContact C-N 3.32Å; G97-L99 PolarHBondContact O-N 2.95Å; L99-E101 PolarHBondContact O-N 3.2Å; L99-S102 PolarHBondContact O-N 3.1Å; L99-S102 PolarHBondContact O-OG 2.7Å; L99-L103 HydrophobicContact CD1-CD1 4.04Å; L99-L103 HydrophobicContact CD1-CG 4.25Å; L99-L103 HydrophobicContact CG-CD1 4.13Å; L99-L103 WeakPolarHBondContact O-CG 3.49Å; L99-L103 PolarHBondContact O-N 3.45Å; L99-L728 HydrophobicContact CD2-CD2 3.51Å; L99-L728 HydrophobicContact CG-CD2 4.27Å
100	V	89.1	Confident	82.2	Confident	11 Å²	11	58.1 Å²	58.1	7%	0.067	30%	0.298	C	S	.	.	H	α-helix	trans	-58.7	-45.8	175	167.2	0	0	0	0	111.4	E96 G97 S102 L103 F104 Y606 L728 F730	E96-V100 VanDerWaalsContact O-CG2 3.3Å; E96-V100 WeakPolarHBondContact O-CG2 3.38Å; E96-V100 PolarHBondContact O-N 2.93Å; G97-V100 PolarHBondContact O-N 3.01Å; V100-S102 VanDerWaalsContact C-N 3.27Å; V100-S102 PolarHBondContact O-N 3.01Å; V100-L103 PolarHBondContact O-N 2.91Å; V100-F104 WeakPolarHBondContact O-CA 3.21Å; V100-F104 PolarHBondContact O-N 2.81Å; V100-Y606 HydrophobicContact CB-CE1 4.43Å; V100-Y606 HydrophobicContact CG1-CD1 4.36Å; V100-Y606 HydrophobicContact CG1-CE1 3.61Å; V100-Y606 HydrophobicContact CG1-CE2 4.02Å; V100-Y606 VanDerWaalsContact CG1-CZ 3.4Å; V100-Y606 WeakPolarHBondContact CG1-OH 3.27Å; V100-Y606 HydrophobicContact CG2-CD1 4.06Å; V100-Y606 HydrophobicContact CG2-CD2 3.64Å; V100-Y606 HydrophobicContact CG2-CE1 4.04Å; V100-Y606 HydrophobicContact CG2-CE2 3.6Å; V100-Y606 HydrophobicContact CG2-CG 3.87Å; V100-L728 HydrophobicContact CG2-CD1 3.69Å; V100-F730 HydrophobicContact CB-CD1 4.2Å; V100-F730 HydrophobicContact CG1-CD1 4.15Å; V100-F730 HydrophobicContact CG2-CB 3.93Å; V100-F730 HydrophobicContact CG2-CD1 4.14Å; V100-F730 HydrophobicContact CG2-CG 4.2Å
101	E	85.5	Confident	81.3	Confident	131 Å²	131	54.4 Å²	54.4	61%	0.612	28%	0.281	S	S	*	.	H	α-helix	trans	-64.2	-33.8	178.7	-171.4	170.1	-164	0	0	112.1	G97 N98 L99	G97-E101 WeakPolarHBondContact O-CB 3.47Å; G97-E101 PolarHBondContact O-N 2.79Å; N98-E101 PolarHBondContact O-N 2.99Å; L99-E101 PolarHBondContact O-N 3.2Å
102	S	88.4	Confident	80.4	Confident	83 Å²	83	54.4 Å²	54.4	58%	0.58	28%	0.282	S	S	*	.	H	α-helix	trans	-70.8	-39.1	176.5	76.9	0	0	0	0	113.5	N98 L99 V100	N98-S102 WeakPolarHBondContact O-CB 3.38Å; N98-S102 PolarHBondContact O-N 3.11Å; L99-S102 PolarHBondContact O-N 3.1Å; L99-S102 PolarHBondContact O-OG 2.7Å; V100-S102 VanDerWaalsContact C-N 3.27Å; V100-S102 PolarHBondContact O-N 3.01Å
103	L	87.6	Confident	79.5	Confident	45 Å²	45	51 Å²	51	24%	0.236	26%	0.264	C	S	.	.	H	α-helix	trans	-80.3	-44.4	-179.8	-68.8	173.1	0	0	0	111.3	L99 V100 P105 I678	L99-L103 HydrophobicContact CD1-CD1 4.04Å; L99-L103 HydrophobicContact CD1-CG 4.25Å; L99-L103 HydrophobicContact CG-CD1 4.13Å; L99-L103 WeakPolarHBondContact O-CG 3.49Å; L99-L103 PolarHBondContact O-N 3.45Å; V100-L103 PolarHBondContact O-N 2.91Å; L103-P105 VanDerWaalsContact C-CD 3.46Å; L103-P105 WeakPolarHBondContact O-CD 3.45Å; L103-I678 HydrophobicContact CB-CD1 4.31Å; L103-I678 WeakPolarHBondContact O-CD1 3.44Å
104	F	86.1	Confident	78.7	Confident	5 Å²	5	51.9 Å²	51.9	2%	0.022	27%	0.267	C	S	.	.	S	Bend	trans	-125	69.1	-171.5	-66.6	-78.3	0	0	0	111.5	V100 Y606 I678 A692 R694	V100-F104 WeakPolarHBondContact O-CA 3.21Å; V100-F104 PolarHBondContact O-N 2.81Å; F104-Y606 AromaticContact CD2-CD1 3.64Å; F104-Y606 HydrophobicContact CD2-CD1 3.64Å; F104-Y606 AromaticContact CD2-CE1 3.84Å; F104-Y606 HydrophobicContact CD2-CE1 3.84Å; F104-Y606 AromaticContact CE2-CD1 3.77Å; F104-Y606 HydrophobicContact CE2-CD1 3.77Å; F104-Y606 HydrophobicContact CE2-CE1 4.36Å; F104-Y606 HydrophobicContact CG-CE1 4.39Å; F104-I678 HydrophobicContact CD1-CD1 4.23Å; F104-I678 HydrophobicContact CE1-CD1 3.85Å; F104-I678 HydrophobicContact CE1-CG1 3.82Å; F104-I678 HydrophobicContact CE2-CD1 4.32Å; F104-I678 HydrophobicContact CZ-CD1 3.89Å; F104-I678 HydrophobicContact CZ-CG1 4.05Å; F104-A692 HydrophobicContact CE2-CB 4.47Å; F104-A692 HydrophobicContact CZ-CB 4.36Å; F104-R694 HydrophobicContact CD1-CG 4.25Å; F104-R694 HydrophobicContact CE1-CB 4.38Å; F104-R694 HydrophobicContact CE1-CG 3.93Å; F104-R694 HydrophobicContact CE2-CB 4.14Å; F104-R694 HydrophobicContact CZ-CB 4.02Å; F104-R694 HydrophobicContact CZ-CG 4.08Å
105	P	81.9	Confident	77.4	Confident	46 Å²	46	49.9 Å²	49.9	30%	0.299	26%	0.259	S	S	.	.			trans	-64.6	156.3	178.2	28.2	-35.7	0	0	0	111.1	L103 N107 R108 S109	L103-P105 VanDerWaalsContact C-CD 3.46Å; L103-P105 WeakPolarHBondContact O-CD 3.45Å; P105-N107 PolarHBondContact O-N 3.03Å; P105-N107 VanDerWaalsContact O-N 3.12Å; P105-R108 HydrophobicContact CG-CB 4.31Å; P105-R108 HydrophobicContact CG-CG 4.22Å; P105-R108 PolarHBondContact O-N 3.27Å; P105-S109 PolarHBondContact O-OG 3.04Å
106	V	75.3	Confident	76.2	Confident	28 Å²	28	46.1 Å²	46.1	17%	0.17	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-60.4	-29.5	-176.4	-171.4	0	0	0	0	112.8	R108 S109 L113 P120 L177	V106-R108 PolarHBondContact O-N 2.76Å; V106-S109 PolarHBondContact O-N 2.73Å; V106-L113 HydrophobicContact CG1-CD2 3.84Å; V106-P120 HydrophobicContact CB-CB 4.41Å; V106-P120 HydrophobicContact CG1-CB 3.65Å; V106-P120 HydrophobicContact CG1-CG 4.22Å; V106-L177 HydrophobicContact CG1-CD2 4.18Å
107	N	70.9	Confident	75.3	Confident	102 Å²	102	45.7 Å²	45.7	55%	0.545	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-61.2	-25.3	174	-73.5	-24	0	0	0	113.8	P105 K110	P105-N107 PolarHBondContact O-N 3.03Å; P105-N107 VanDerWaalsContact O-N 3.12Å; N107-K110 WeakPolarHBondContact O-CE 3.45Å; N107-K110 WeakPolarHBondContact O-CG 3.24Å
108	R	66.6	Low	74.2	Confident	129 Å²	129	45.9 Å²	45.9	49%	0.487	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-93.7	4.9	175.2	-80.4	-166.7	174.1	-176.3	-2.8	113.1	P105 V106 D675	P105-R108 HydrophobicContact CG-CB 4.31Å; P105-R108 HydrophobicContact CG-CG 4.22Å; P105-R108 PolarHBondContact O-N 3.27Å; V106-R108 PolarHBondContact O-N 2.76Å; R108-D675 WeakPolarHBondContact O-CB 3.25Å
109	S	61.6	Low	72.9	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.228	C	C	.	.			trans	-122.5	26.5	-174.3	-47	0	0	0	0	111.8	P105 V106 H111 A112 L113 Q118 R694	P105-S109 PolarHBondContact O-OG 3.04Å; V106-S109 PolarHBondContact O-N 2.73Å; S109-H111 VanDerWaalsContact C-N 3.27Å; S109-H111 PolarHBondContact O-N 2.92Å; S109-A112 CarbonylContact O-C 3.52Å; S109-A112 PolarHBondContact O-N 2.97Å; S109-L113 WeakPolarHBondContact O-CG 3.49Å; S109-Q118 PolarHBondContact OG-NE2 3.49Å; S109-Q118 VanDerWaalsContact OG-NE2 3.1Å; S109-Q118 PolarHBondContact OG-OE1 3.22Å; S109-R694 PolarHBondContact OG-NH1 3.05Å; S109-R694 PolarHBondContact OG-NH2 3.5Å
110	K	66.9	Low	71.4	Confident	47 Å²	47	42 Å²	42	20%	0.204	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-32.5	-170.6	-69.5	178.9	-170.4	173.5	0	112.5	N107 D180 I185 D675	N107-K110 WeakPolarHBondContact O-CE 3.45Å; N107-K110 WeakPolarHBondContact O-CG 3.24Å; K110-D180 WeakPolarHBondContact CD-OD1 3.48Å; K110-D180 IonicContact NZ-OD1 3.65Å; K110-D180 PolarHBondContact NZ-OD1 3.32Å; K110-I185 HydrophobicContact CB-CD1 3.86Å; K110-I185 HydrophobicContact CG-CD1 4.23Å; K110-I185 VanDerWaalsContact O-CD1 3.23Å; K110-I185 WeakPolarHBondContact O-CD1 3.25Å; K110-D675 PolarHBondContact N-OD2 3.34Å
111	H	62.8	Low	70.6	Confident	58 Å²	58	43.4 Å²	43.4	27%	0.269	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-12.2	-175.7	-55.6	96.2	0	0	0	113.8	S109 D179 D180 H672 D675	S109-H111 VanDerWaalsContact C-N 3.27Å; S109-H111 PolarHBondContact O-N 2.92Å; H111-D179 IonicContact CD2-OD1 3.66Å; H111-D179 PolarHBondContact CD2-OD1 3.08Å; H111-D179 IonicContact NE2-OD1 3.71Å; H111-D179 PolarHBondContact NE2-OD1 3.36Å; H111-D180 IonicContact CE1-OD2 3.97Å; H111-D180 PolarHBondContact CE1-OD2 2.9Å; H111-D180 IonicContact NE2-OD2 3.72Å; H111-H672 HydrophobicContact CB-CB 4.15Å; H111-D675 IonicContact CE1-OD2 2.76Å; H111-D675 IonicContact CG-OD2 3.09Å; H111-D675 PolarHBondContact N-OD2 2.99Å; H111-D675 IonicContact ND1-OD1 3.52Å; H111-D675 IonicContact ND1-OD2 2.78Å; H111-D675 PolarHBondContact ND1-OD2 2.98Å
112	A	63.1	Low	70.6	Confident	11 Å²	11	39.4 Å²	39.4	9%	0.091	22%	0.216	C	C	.	.			trans	-144.9	68.5	-175.3	0	0	0	0	0	112	S109	S109-A112 CarbonylContact O-C 3.52Å; S109-A112 PolarHBondContact O-N 2.97Å
113	L	66.8	Low	70.7	Confident	17 Å²	17	37.7 Å²	37.7	9%	0.089	20%	0.197	C	C	.	.			trans	-87.1	109.4	171.3	-70.7	170.1	0	0	0	110.6	V106 S109 Q118 L177 I185 Y263	V106-L113 HydrophobicContact CG1-CD2 3.84Å; S109-L113 WeakPolarHBondContact O-CG 3.49Å; L113-Q118 HydrophobicContact CD2-CB 3.81Å; L113-Q118 VanDerWaalsContact CD2-OE1 3.3Å; L113-L177 HydrophobicContact CD1-CD2 3.72Å; L113-I185 HydrophobicContact CD1-CD1 4.16Å; L113-I185 HydrophobicContact CD1-CG2 4.05Å; L113-Y263 HydrophobicContact CB-CE2 3.98Å; L113-Y263 HydrophobicContact CD1-CD2 3.97Å; L113-Y263 HydrophobicContact CD1-CE2 4.03Å; L113-Y263 HydrophobicContact CD1-CG 4.23Å
114	Y	69.1	Low	70.9	Confident	20 Å²	20	35.6 Å²	35.6	8%	0.078	19%	0.186	C	C	.	.			trans	-84.8	125.4	165.3	-63.3	-72.6	0	0	0	109.5	D116 L117 Q118 Y223 V602 I632 F696	Y114-D116 PolarHBondContact O-N 3.02Å; Y114-L117 PolarHBondContact O-N 3.35Å; Y114-Q118 PolarHBondContact O-N 3.15Å; Y114-Y223 HydrophobicContact CD1-CD1 4.24Å; Y114-Y223 HydrophobicContact CE1-CD1 4.09Å; Y114-V602 HydrophobicContact CD1-CG1 4.45Å; Y114-V602 HydrophobicContact CD1-CG2 3.93Å; Y114-V602 HydrophobicContact CD2-CG1 4.17Å; Y114-V602 HydrophobicContact CG-CB 4.34Å; Y114-V602 HydrophobicContact CG-CG1 4.05Å; Y114-V602 HydrophobicContact CG-CG2 4.09Å; Y114-I632 HydrophobicContact CE1-CD1 4.46Å; Y114-I632 WeakPolarHBondContact OH-CD1 3.41Å; Y114-F696 AromaticContact CD2-CD1 3.75Å; Y114-F696 HydrophobicContact CD2-CD1 3.75Å; Y114-F696 HydrophobicContact CD2-CD2 4.35Å; Y114-F696 AromaticContact CD2-CE1 3.77Å; Y114-F696 HydrophobicContact CD2-CE1 3.77Å; Y114-F696 HydrophobicContact CD2-CE2 4.36Å; Y114-F696 HydrophobicContact CD2-CG 4.03Å; Y114-F696 HydrophobicContact CD2-CZ 4.06Å; Y114-F696 HydrophobicContact CE2-CB 4.21Å; Y114-F696 AromaticContact CE2-CD1 3.64Å; Y114-F696 HydrophobicContact CE2-CD1 3.64Å; Y114-F696 AromaticContact CE2-CD2 3.42Å; Y114-F696 HydrophobicContact CE2-CD2 3.42Å; Y114-F696 VanDerWaalsContact CE2-CD2 3.42Å; Y114-F696 AromaticContact CE2-CE1 3.76Å; Y114-F696 HydrophobicContact CE2-CE1 3.76Å; Y114-F696 AromaticContact CE2-CE2 3.55Å; Y114-F696 HydrophobicContact CE2-CE2 3.55Å; Y114-F696 AromaticContact CE2-CG 3.44Å; Y114-F696 HydrophobicContact CE2-CG 3.44Å; Y114-F696 VanDerWaalsContact CE2-CG 3.44Å; Y114-F696 AromaticContact CE2-CZ 3.7Å; Y114-F696 HydrophobicContact CE2-CZ 3.7Å
115	S	59.1	Low	71.1	Confident	1 Å²	1	36 Å²	36	1%	0.007	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.3	-40.7	-178.3	59.5	0	0	0	0	113.8	R125 H226 Y263	S115-R125 PolarHBondContact O-NH2 2.99Å; S115-H226 PolarHBondContact OG-CD2 3.33Å; S115-Y263 VanDerWaalsContact CA-OH 3.28Å; S115-Y263 WeakPolarHBondContact CA-OH 3.32Å; S115-Y263 PolarHBondContact N-OH 3.49Å
116	D	62.2	Low	71.8	Confident	36 Å²	36	33.8 Å²	33.8	19%	0.193	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-4.8	-174.3	-63.9	-31	0	0	0	115.4	Y114 R125 N731 P732	Y114-D116 PolarHBondContact O-N 3.02Å; D116-R125 IonicContact OD1-CZ 3.19Å; D116-R125 IonicContact OD1-NH1 2.73Å; D116-R125 PolarHBondContact OD1-NH1 3.49Å; D116-N731 PolarHBondContact O-ND2 2.92Å; D116-P732 VanDerWaalsContact O-CD 3.23Å; D116-P732 WeakPolarHBondContact O-CD 3.22Å; D116-P732 WeakPolarHBondContact O-CG 3.33Å
117	L	69.8	Low	72.7	Confident	8 Å²	8	32.5 Å²	32.5	4%	0.042	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-36.3	-175.7	-159.4	83.3	0	0	0	112.8	Y114 V602 Y606 F696 F730 N731	Y114-L117 PolarHBondContact O-N 3.35Å; L117-V602 WeakPolarHBondContact CD1-O 3.38Å; L117-Y606 WeakPolarHBondContact CD2-OH 3.27Å; L117-F696 HydrophobicContact CD2-CD1 3.72Å; L117-F696 HydrophobicContact CD2-CE1 3.36Å; L117-F730 WeakPolarHBondContact CD1-O 3.47Å; L117-N731 HydrophobicContact CD1-CB 4.41Å
118	Q	66.6	Low	73.9	Confident	12 Å²	12	27.7 Å²	27.7	6%	0.056	14%	0.14	C	C	.	.			trans	-134.6	115.7	-174.3	-70.4	171.2	-8.4	0	0	110.2	S109 L113 Y114	S109-Q118 PolarHBondContact OG-NE2 3.49Å; S109-Q118 VanDerWaalsContact OG-NE2 3.1Å; S109-Q118 PolarHBondContact OG-OE1 3.22Å; L113-Q118 HydrophobicContact CD2-CB 3.81Å; L113-Q118 VanDerWaalsContact CD2-OE1 3.3Å; Y114-Q118 PolarHBondContact O-N 3.15Å
119	T	60.7	Low	75.3	Confident	65 Å²	65	21.8 Å²	21.8	40%	0.399	12%	0.118	S	C	.	.			trans	-114	105	174.3	51.5	0	0	0	0	109.6	G121 Y123	T119-G121 PolarHBondContact O-N 3.23Å; T119-Y123 HydrophobicContact CG2-CD1 4.03Å; T119-Y123 HydrophobicContact CG2-CE1 3.74Å
120	P	58.3	Low	76.8	Confident	27 Å²	27	22.1 Å²	22.1	18%	0.175	12%	0.121	C	C	.	.			trans	-64.2	19.8	-178.6	19.3	-28.8	0	0	0	115.9	V106 L177 Y263	V106-P120 HydrophobicContact CB-CB 4.41Å; V106-P120 HydrophobicContact CG1-CB 3.65Å; V106-P120 HydrophobicContact CG1-CG 4.22Å; P120-L177 HydrophobicContact CB-CD2 4.22Å; P120-L177 HydrophobicContact CG-CD2 4.19Å; P120-Y263 HydrophobicContact CG-CD1 3.67Å; P120-Y263 HydrophobicContact CG-CG 4.13Å
121	G	73.1	Confident	77.7	Confident	41 Å²	41	28.4 Å²	28.4	42%	0.423	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	112.6	-105.2	-169.5	0	0	0	0	0	110.6	T119	T119-G121 PolarHBondContact O-N 3.23Å
122	R	86.4	Confident	78.8	Confident	46 Å²	46	36.1 Å²	36.1	17%	0.174	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	150.2	-174.3	-70.6	178.6	177.6	-104.4	9.6	112.5	L264 D272 A275 E279 S303	R122-L264 HydrophobicContact CB-CB 4Å; R122-L264 HydrophobicContact CB-CD1 4.04Å; R122-L264 WeakPolarHBondContact O-CB 3.16Å; R122-L264 PolarHBondContact O-N 2.89Å; R122-D272 VanDerWaalsContact CZ-O 3.31Å; R122-D272 IonicContact CZ-OD1 3.28Å; R122-D272 IonicContact CZ-OD2 2.7Å; R122-D272 PolarHBondContact NE-O 3.32Å; R122-D272 IonicContact NE-OD1 3.1Å; R122-D272 PolarHBondContact NE-OD1 3.37Å; R122-D272 IonicContact NE-OD2 3.58Å; R122-D272 PolarHBondContact NH2-O 3.48Å; R122-D272 IonicContact NH2-OD1 3.35Å; R122-D272 PolarHBondContact NH2-OD1 3.33Å; R122-D272 IonicContact NH2-OD2 3.31Å; R122-D272 PolarHBondContact NH2-OD2 3.18Å; R122-A275 HydrophobicContact CB-CB 4.37Å; R122-A275 VanDerWaalsContact CD-CB 3.43Å; R122-E279 WeakPolarHBondContact CB-OE1 3.24Å; R122-E279 VanDerWaalsContact CD-OE1 3.24Å; R122-E279 WeakPolarHBondContact CD-OE1 3.2Å; R122-E279 VanDerWaalsContact CG-OE1 3.29Å; R122-E279 WeakPolarHBondContact CG-OE1 3.38Å; R122-E279 IonicContact CZ-OE1 3.82Å; R122-E279 IonicContact NE-OE1 2.97Å; R122-E279 IonicContact NH1-OE1 3.74Å; R122-E279 PolarHBondContact NH1-OE1 3.08Å; R122-E279 IonicContact NH1-OE2 3.67Å; R122-S303 VanDerWaalsContact CA-OG 3.24Å; R122-S303 WeakPolarHBondContact CA-OG 3.49Å; R122-S303 WeakPolarHBondContact CB-OG 2.92Å
123	Y	89.1	Confident	79.9	Confident	48 Å²	48	38.1 Å²	38.1	19%	0.188	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	158.4	177.1	62	-96.8	0	0	0	112.3	T119 R125 Y262 T302 S303	T119-Y123 HydrophobicContact CG2-CD1 4.03Å; T119-Y123 HydrophobicContact CG2-CE1 3.74Å; Y123-R125 HydrophobicContact CD2-CG 3.79Å; Y123-R125 HydrophobicContact CE2-CG 4.02Å; Y123-R125 VanDerWaalsContact CE2-NE 3.3Å; Y123-Y262 CarbonylContact C-O 3.56Å; Y123-Y262 VanDerWaalsContact CA-O 3.23Å; Y123-Y262 WeakPolarHBondContact CA-O 3.32Å; Y123-Y262 WeakPolarHBondContact CB-O 3.35Å; Y123-T302 VanDerWaalsContact O-CA 3.32Å; Y123-T302 WeakPolarHBondContact O-CA 3.42Å; Y123-S303 PolarHBondContact N-OG 3.02Å; Y123-S303 PolarHBondContact O-N 3.12Å; Y123-S303 VanDerWaalsContact O-N 3.1Å; Y123-S303 PolarHBondContact O-OG 3.16Å
124	G	91.8	Very high	81.1	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.2	164.1	0	0	0	0	0	110.5	Y262	G124-Y262 PolarHBondContact N-O 3Å; G124-Y262 PolarHBondContact O-N 3.3Å
125	R	92.1	Very high	82.3	Confident	14 Å²	14	36.5 Å²	36.5	5%	0.053	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	144.4	175.1	-72.2	178.9	-157.8	-166.5	5.3	110.4	S115 D116 Y123 L260 T261 S300 A301 Y588	S115-R125 PolarHBondContact O-NH2 2.99Å; D116-R125 IonicContact OD1-CZ 3.19Å; D116-R125 IonicContact OD1-NH1 2.73Å; D116-R125 PolarHBondContact OD1-NH1 3.49Å; Y123-R125 HydrophobicContact CD2-CG 3.79Å; Y123-R125 HydrophobicContact CE2-CG 4.02Å; Y123-R125 VanDerWaalsContact CE2-NE 3.3Å; R125-L260 CarbonylContact C-O 3.46Å; R125-L260 VanDerWaalsContact CA-O 3.31Å; R125-L260 WeakPolarHBondContact CA-O 3.42Å; R125-T261 HydrophobicContact CG-CG2 3.8Å; R125-S300 WeakPolarHBondContact O-CA 3.27Å; R125-A301 WeakPolarHBondContact CA-O 3.42Å; R125-A301 HydrophobicContact CB-CB 4.43Å; R125-A301 PolarHBondContact N-O 3.16Å; R125-A301 PolarHBondContact O-N 2.67Å; R125-A301 VanDerWaalsContact O-O 3.1Å; R125-Y588 HydrophobicContact CB-CE2 4.02Å; R125-Y588 WeakPolarHBondContact CD-OH 3.48Å
126	V	94.9	Very high	83.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	130.8	172.6	60.4	0	0	0	0	110.4	I128 Q259 L260 Y262 F282 L286 L298 Y299	V126-I128 HydrophobicContact CG1-CD1 4.49Å; V126-I128 HydrophobicContact CG1-CG1 4.39Å; V126-I128 HydrophobicContact CG2-CG1 3.95Å; V126-Q259 WeakPolarHBondContact O-CA 3.28Å; V126-L260 HydrophobicContact CG1-CB 3.9Å; V126-L260 PolarHBondContact N-O 2.8Å; V126-L260 PolarHBondContact O-N 3.22Å; V126-Y262 HydrophobicContact CG1-CE2 4.38Å; V126-F282 HydrophobicContact CB-CZ 4.19Å; V126-F282 HydrophobicContact CG1-CZ 4.46Å; V126-L286 HydrophobicContact CB-CD1 3.94Å; V126-L286 HydrophobicContact CB-CD2 4.33Å; V126-L286 HydrophobicContact CG2-CD1 3.89Å; V126-L286 HydrophobicContact CG2-CD2 3.82Å; V126-L298 HydrophobicContact CG2-CD2 4.28Å; V126-Y299 CarbonylContact C-O 3.5Å; V126-Y299 VanDerWaalsContact CA-O 3.28Å; V126-Y299 WeakPolarHBondContact CA-O 3.5Å
127	I	95.4	Very high	85.2	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	125	164.8	-66.5	167.1	0	0	0	107.6	T129 A257 V258 Q259 Y299 Y588 A591 Q592 F596	I127-T129 HydrophobicContact CG2-CG2 3.92Å; I127-A257 HydrophobicContact CG2-CB 4.4Å; I127-V258 WeakPolarHBondContact CA-O 3.3Å; I127-Q259 HydrophobicContact CG1-CB 4.18Å; I127-Q259 HydrophobicContact CG1-CG 4.03Å; I127-Y299 HydrophobicContact CB-CD2 4.41Å; I127-Y299 HydrophobicContact CG2-CD2 4.27Å; I127-Y299 PolarHBondContact N-O 3.42Å; I127-Y299 PolarHBondContact O-N 2.91Å; I127-Y588 HydrophobicContact CB-CE2 4.42Å; I127-Y588 HydrophobicContact CD1-CD2 3.9Å; I127-Y588 HydrophobicContact CD1-CE1 4.26Å; I127-Y588 HydrophobicContact CD1-CE2 3.6Å; I127-Y588 HydrophobicContact CD1-CG 4.38Å; I127-Y588 HydrophobicContact CG1-CD2 4.15Å; I127-Y588 HydrophobicContact CG1-CE2 3.62Å; I127-A591 HydrophobicContact CD1-CB 4.19Å; I127-A591 HydrophobicContact CG2-CB 4.29Å; I127-Q592 HydrophobicContact CD1-CB 3.95Å; I127-F596 HydrophobicContact CD1-CD2 4.36Å; I127-F596 HydrophobicContact CD1-CE2 4.06Å; I127-F596 HydrophobicContact CG1-CE2 4.04Å; I127-F596 HydrophobicContact CG2-CE2 3.82Å; I127-F596 HydrophobicContact CG2-CZ 4.42Å
128	I	95.9	Very high	86.2	Confident	1 Å²	1	42 Å²	42	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.8	178.8	-48.6	172.7	0	0	0	107.9	V126 I144 L147 A257 V258 L260 L296 G297 L298	V126-I128 HydrophobicContact CG1-CD1 4.49Å; V126-I128 HydrophobicContact CG1-CG1 4.39Å; V126-I128 HydrophobicContact CG2-CG1 3.95Å; I128-I144 HydrophobicContact CD1-CB 4.46Å; I128-I144 HydrophobicContact CD1-CG1 4.1Å; I128-I144 HydrophobicContact CD1-CG2 3.81Å; I128-I144 HydrophobicContact CG2-CD1 4.34Å; I128-I144 HydrophobicContact CG2-CG1 4.04Å; I128-L147 HydrophobicContact CD1-CD2 3.91Å; I128-A257 CarbonylContact O-C 3.49Å; I128-A257 VanDerWaalsContact O-CA 3.23Å; I128-A257 WeakPolarHBondContact O-CA 3.49Å; I128-V258 HydrophobicContact CB-CG1 3.85Å; I128-V258 HydrophobicContact CD1-CG1 4.23Å; I128-V258 HydrophobicContact CG1-CG1 4.37Å; I128-V258 PolarHBondContact N-O 2.88Å; I128-V258 PolarHBondContact O-N 3.01Å; I128-L260 HydrophobicContact CD1-CD1 3.95Å; I128-L296 HydrophobicContact CG2-CB 4.41Å; I128-L296 HydrophobicContact CG2-CD1 4.38Å; I128-L296 HydrophobicContact CG2-CD2 4.19Å; I128-G297 CarbonylContact C-O 3.52Å; I128-G297 VanDerWaalsContact CA-O 3.32Å; I128-G297 WeakPolarHBondContact CA-O 3.35Å; I128-L298 HydrophobicContact CB-CD2 4.09Å; I128-L298 HydrophobicContact CD1-CD2 4.39Å; I128-L298 HydrophobicContact CG1-CD2 3.67Å; I128-L298 HydrophobicContact CG2-CD2 3.77Å
129	T	95.4	Very high	87.3	Confident	5 Å²	5	46 Å²	46	3%	0.031	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	140.5	-179.1	66.4	0	0	0	0	111.8	I127 K256 A257 L296 G297 Y299 Y595	I127-T129 HydrophobicContact CG2-CG2 3.92Å; T129-K256 WeakPolarHBondContact CA-O 3.2Å; T129-A257 HydrophobicContact CG2-CB 3.93Å; T129-L296 CarbonylContact O-C 3.53Å; T129-L296 WeakPolarHBondContact O-CA 3.4Å; T129-G297 PolarHBondContact N-O 2.88Å; T129-G297 PolarHBondContact O-N 3.33Å; T129-G297 WeakPolarHBondContact OG1-CA 3.33Å; T129-Y299 HydrophobicContact CG2-CD2 4.28Å; T129-Y299 HydrophobicContact CG2-CE2 3.85Å; T129-Y595 HydrophobicContact CG2-CD2 4.01Å; T129-Y595 HydrophobicContact CG2-CE2 3.66Å
130	A	92.8	Very high	88.9	Confident	7 Å²	7	43.9 Å²	43.9	6%	0.058	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	122.8	170.3	0	0	0	0	0	109.6	R132 V135 K256	A130-R132 VanDerWaalsContact C-N 3.34Å; A130-V135 HydrophobicContact CB-CG1 3.85Å; A130-K256 PolarHBondContact N-O 2.98Å
131	R	85.6	Confident	90.5	Very high	179 Å²	179	42.7 Å²	42.7	68%	0.675	22%	0.221	S	C	*	.	S	Bend	trans	-67.7	-35.6	176.3	-71.2	-172	179	-175	1.7	112.4	P294 K295	R131-P294 VanDerWaalsContact CD-O 3.32Å; R131-P294 WeakPolarHBondContact CD-O 3.41Å; R131-P294 PolarHBondContact NE-O 3.35Å; R131-P294 VanDerWaalsContact NE-O 3.13Å; R131-P294 PolarHBondContact NH1-O 2.64Å; R131-K295 PolarHBondContact N-O 2.97Å
132	R	86.3	Confident	91.4	Very high	221 Å²	221	43.6 Å²	43.6	83%	0.834	21%	0.214	S	C	*	.	S	Bend	trans	-137.9	143.8	175.6	-66.2	-175.1	-179.7	178.7	-0.1	108.4	A130 H140	A130-R132 VanDerWaalsContact C-N 3.34Å; R132-H140 PolarHBondContact O-CE1 3.48Å; R132-H140 VanDerWaalsContact O-CE1 3.26Å
133	G	87.8	Confident	91.8	Very high	52 Å²	52	42 Å²	42	54%	0.536	21%	0.21	S	C	.	.	S	Bend	trans	76.5	-154.7	-178.5	0	0	0	0	0	113.4
134	S	91.8	Very high	92	Very high	4 Å²	4	39.8 Å²	39.8	3%	0.028	20%	0.201	C	C	.	.			trans	-110.1	148.4	-176.1	-174.1	0	0	0	0	111.1	L136 D137 H140 S254 A255	S134-L136 PolarHBondContact O-N 3.01Å; S134-L136 PolarHBondContact OG-N 2.84Å; S134-D137 WeakPolarHBondContact CB-OD1 3.4Å; S134-D137 PolarHBondContact N-OD2 3.18Å; S134-D137 WeakPolarHBondContact O-CB 3.47Å; S134-D137 VanDerWaalsContact O-CG 3.25Å; S134-D137 PolarHBondContact O-N 3.49Å; S134-H140 PolarHBondContact O-ND1 3.04Å; S134-S254 WeakPolarHBondContact OG-CA 3.36Å; S134-A255 CarbonylContact C-O 3.58Å; S134-A255 VanDerWaalsContact CA-O 3.27Å; S134-A255 WeakPolarHBondContact CA-O 3.27Å; S134-A255 PolarHBondContact OG-N 3.41Å; S134-A255 PolarHBondContact OG-O 3.45Å
135	V	93	Very high	92.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-18.9	167.4	-64.1	0	0	0	0	112.3	A130 D137 I144 L228 A255 K256 V258	A130-V135 HydrophobicContact CB-CG1 3.85Å; V135-D137 VanDerWaalsContact C-N 3.33Å; V135-I144 HydrophobicContact CB-CD1 4.06Å; V135-L228 HydrophobicContact CG2-CD2 4.33Å; V135-A255 HydrophobicContact CG2-CB 3.96Å; V135-A255 WeakPolarHBondContact CG2-O 3.23Å; V135-A255 PolarHBondContact N-O 2.98Å; V135-K256 WeakPolarHBondContact CG1-O 3.27Å; V135-V258 HydrophobicContact CG2-CB 4.37Å
136	L	91.2	Very high	92.3	Very high	19 Å²	19	42.1 Å²	42.1	10%	0.099	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-3.4	176.9	-55.4	176.5	0	0	0	113.4	S134 R200 V252	S134-L136 PolarHBondContact O-N 3.01Å; S134-L136 PolarHBondContact OG-N 2.84Å; L136-R200 PolarHBondContact O-NH1 3.28Å; L136-R200 PolarHBondContact O-NH2 2.66Å; L136-V252 HydrophobicContact CD1-CG1 3.85Å
137	D	91.7	Very high	92.3	Very high	60 Å²	60	42.2 Å²	42.2	32%	0.321	21%	0.213	S	C	.	.	S	Bend	trans	-63.2	142.4	175.1	-67.6	-22	0	0	0	109.8	S134 V135 V139 H140 L141	S134-D137 WeakPolarHBondContact CB-OD1 3.4Å; S134-D137 PolarHBondContact N-OD2 3.18Å; S134-D137 WeakPolarHBondContact O-CB 3.47Å; S134-D137 VanDerWaalsContact O-CG 3.25Å; S134-D137 PolarHBondContact O-N 3.49Å; V135-D137 VanDerWaalsContact C-N 3.33Å; D137-V139 VanDerWaalsContact C-N 3.26Å; D137-V139 PolarHBondContact O-N 2.7Å; D137-V139 VanDerWaalsContact O-N 3.1Å; D137-H140 PolarHBondContact O-N 2.9Å; D137-H140 IonicContact OD2-ND1 3.72Å; D137-L141 VanDerWaalsContact O-CB 3.29Å; D137-L141 WeakPolarHBondContact O-CB 3.5Å; D137-L141 PolarHBondContact O-N 2.97Å
138	P	89.8	Confident	92.2	Very high	80 Å²	80	43 Å²	43	52%	0.519	22%	0.217	S	C	.	.	H	α-helix	trans	-52.1	-41.3	-172.7	-25.8	31.3	0	0	0	114.4	E142	P138-E142 WeakPolarHBondContact O-CB 3.4Å; P138-E142 PolarHBondContact O-N 3.29Å
139	V	90.8	Very high	92.1	Very high	98 Å²	98	47.7 Å²	47.7	59%	0.594	23%	0.234	S	C	*	.	H	α-helix	trans	-69	-42.7	-179.3	-179.1	0	0	0	0	111.7	D137 T143	D137-V139 VanDerWaalsContact C-N 3.26Å; D137-V139 PolarHBondContact O-N 2.7Å; D137-V139 VanDerWaalsContact O-N 3.1Å; V139-T143 WeakPolarHBondContact O-CB 3.13Å; V139-T143 PolarHBondContact O-N 3.33Å; V139-T143 PolarHBondContact O-OG1 2.89Å
140	H	93	Very high	92.1	Very high	20 Å²	20	53.7 Å²	53.7	9%	0.093	26%	0.256	C	S	.	.	H	α-helix	trans	-71.1	-42.8	178.9	-62.3	141.6	0	0	0	110.9	R132 S134 D137 E142 T143 I144 L296	R132-H140 PolarHBondContact O-CE1 3.48Å; R132-H140 VanDerWaalsContact O-CE1 3.26Å; S134-H140 PolarHBondContact O-ND1 3.04Å; D137-H140 PolarHBondContact O-N 2.9Å; D137-H140 IonicContact OD2-ND1 3.72Å; H140-E142 PolarHBondContact O-N 3.37Å; H140-T143 PolarHBondContact O-N 2.54Å; H140-T143 VanDerWaalsContact O-N 3.14Å; H140-I144 WeakPolarHBondContact O-CD1 3.39Å; H140-I144 VanDerWaalsContact O-CG1 3.25Å; H140-I144 WeakPolarHBondContact O-CG1 3.46Å; H140-I144 PolarHBondContact O-N 3.23Å; H140-L296 HydrophobicContact CB-CD2 4.36Å
141	L	92.7	Very high	92.1	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-55.3	-51.8	176.6	-176.1	66.1	0	0	0	111.6	D137 T143 I144 L145 M193 I196 Q197	D137-L141 VanDerWaalsContact O-CB 3.29Å; D137-L141 WeakPolarHBondContact O-CB 3.5Å; D137-L141 PolarHBondContact O-N 2.97Å; L141-T143 VanDerWaalsContact C-N 3.32Å; L141-T143 PolarHBondContact O-N 3.5Å; L141-I144 PolarHBondContact O-N 3.35Å; L141-L145 HydrophobicContact CG-CD1 4.4Å; L141-L145 WeakPolarHBondContact O-CG 3.43Å; L141-L145 PolarHBondContact O-N 3.19Å; L141-M193 HydrophobicContact CD1-CB 3.61Å; L141-M193 HydrophobicContact CD1-CE 3.32Å; L141-M193 HydrophobicContact CD1-CG 3.64Å; L141-M193 HydrophobicContact CD1-SD 4.31Å; L141-I196 HydrophobicContact CD2-CB 4.37Å; L141-I196 HydrophobicContact CD2-CG2 3.72Å; L141-Q197 HydrophobicContact CD2-CB 4.21Å
142	E	92.8	Very high	92.4	Very high	59 Å²	59	48.6 Å²	48.6	28%	0.276	24%	0.236	S	C	.	.	H	α-helix	trans	-60	-42.3	176.1	174.1	58	-150.3	0	0	111.4	P138 H140 I144 L145 Q146 R149 Q197	P138-E142 WeakPolarHBondContact O-CB 3.4Å; P138-E142 PolarHBondContact O-N 3.29Å; H140-E142 PolarHBondContact O-N 3.37Å; E142-I144 VanDerWaalsContact C-N 3.32Å; E142-I144 PolarHBondContact O-N 2.87Å; E142-L145 PolarHBondContact O-N 3.45Å; E142-Q146 HydrophobicContact CG-CG 4.49Å; E142-Q146 WeakPolarHBondContact O-CB 3.4Å; E142-Q146 VanDerWaalsContact O-CG 3.26Å; E142-Q146 WeakPolarHBondContact O-CG 3.45Å; E142-Q146 PolarHBondContact O-N 3.39Å; E142-Q146 WeakPolarHBondContact OE1-CG 3.46Å; E142-Q146 PolarHBondContact OE1-NE2 3.35Å; E142-R149 IonicContact OE1-NH1 3.5Å; E142-Q197 PolarHBondContact OE2-NE2 3.22Å
143	T	93.4	Very high	92.6	Very high	13 Å²	13	44.9 Å²	44.9	8%	0.08	23%	0.228	C	C	.	.	H	α-helix	trans	-65	-36.4	179.4	-52.9	0	0	0	0	112	V139 H140 L141 Q146 L147 F289 R293 L296	V139-T143 WeakPolarHBondContact O-CB 3.13Å; V139-T143 PolarHBondContact O-N 3.33Å; V139-T143 PolarHBondContact O-OG1 2.89Å; H140-T143 PolarHBondContact O-N 2.54Å; H140-T143 VanDerWaalsContact O-N 3.14Å; L141-T143 VanDerWaalsContact C-N 3.32Å; L141-T143 PolarHBondContact O-N 3.5Å; T143-Q146 PolarHBondContact O-N 3.02Å; T143-L147 PolarHBondContact O-N 3.23Å; T143-F289 HydrophobicContact CG2-CE1 3.92Å; T143-F289 HydrophobicContact CG2-CZ 3.83Å; T143-R293 HydrophobicContact CG2-CG 4.15Å; T143-L296 HydrophobicContact CG2-CD1 3.54Å
144	I	94.8	Very high	92.8	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-68.2	-43.9	176.6	-67.9	160.2	0	0	0	110.5	I128 V135 H140 L141 E142 Q146 L147 H148 M193 V258 L260	I128-I144 HydrophobicContact CD1-CB 4.46Å; I128-I144 HydrophobicContact CD1-CG1 4.1Å; I128-I144 HydrophobicContact CD1-CG2 3.81Å; I128-I144 HydrophobicContact CG2-CD1 4.34Å; I128-I144 HydrophobicContact CG2-CG1 4.04Å; V135-I144 HydrophobicContact CB-CD1 4.06Å; H140-I144 WeakPolarHBondContact O-CD1 3.39Å; H140-I144 VanDerWaalsContact O-CG1 3.25Å; H140-I144 WeakPolarHBondContact O-CG1 3.46Å; H140-I144 PolarHBondContact O-N 3.23Å; L141-I144 PolarHBondContact O-N 3.35Å; E142-I144 VanDerWaalsContact C-N 3.32Å; E142-I144 PolarHBondContact O-N 2.87Å; I144-Q146 VanDerWaalsContact C-N 3.33Å; I144-Q146 PolarHBondContact O-N 3.47Å; I144-L147 WeakPolarHBondContact O-CB 3.5Å; I144-L147 PolarHBondContact O-N 3.33Å; I144-H148 PolarHBondContact O-N 2.88Å; I144-M193 HydrophobicContact CB-CE 3.97Å; I144-M193 HydrophobicContact CD1-CE 3.87Å; I144-M193 HydrophobicContact CG2-CE 3.61Å; I144-V258 HydrophobicContact CD1-CG1 3.99Å; I144-V258 HydrophobicContact CG2-CG1 4.49Å; I144-L260 HydrophobicContact CG2-CD1 4.22Å
145	L	95.1	Very high	92.7	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-66.9	-34.6	176.7	-67	174.2	0	0	0	111.9	L141 E142 H148 R149 I190 M193 E194 Q197	L141-L145 HydrophobicContact CG-CD1 4.4Å; L141-L145 WeakPolarHBondContact O-CG 3.43Å; L141-L145 PolarHBondContact O-N 3.19Å; E142-L145 PolarHBondContact O-N 3.45Å; L145-H148 PolarHBondContact O-N 3.09Å; L145-R149 VanDerWaalsContact O-CG 3.32Å; L145-R149 WeakPolarHBondContact O-CG 3.46Å; L145-R149 PolarHBondContact O-N 3.25Å; L145-I190 HydrophobicContact CD2-CG2 4.23Å; L145-M193 HydrophobicContact CD2-CB 4.21Å; L145-E194 HydrophobicContact CD1-CG 4.34Å; L145-E194 HydrophobicContact CD2-CG 3.81Å; L145-Q197 HydrophobicContact CD1-CB 4.07Å; L145-Q197 HydrophobicContact CD1-CG 4.41Å
146	Q	94.6	Very high	92.5	Very high	61 Å²	61	49.7 Å²	49.7	29%	0.285	24%	0.237	S	C	.	.	H	α-helix	trans	-60.7	-43.2	169.9	-75.3	174.8	8.9	0	0	112.2	E142 T143 I144 R149 R150	E142-Q146 HydrophobicContact CG-CG 4.49Å; E142-Q146 WeakPolarHBondContact O-CB 3.4Å; E142-Q146 VanDerWaalsContact O-CG 3.26Å; E142-Q146 WeakPolarHBondContact O-CG 3.45Å; E142-Q146 PolarHBondContact O-N 3.39Å; E142-Q146 WeakPolarHBondContact OE1-CG 3.46Å; E142-Q146 PolarHBondContact OE1-NE2 3.35Å; T143-Q146 PolarHBondContact O-N 3.02Å; I144-Q146 VanDerWaalsContact C-N 3.33Å; I144-Q146 PolarHBondContact O-N 3.47Å; Q146-R149 PolarHBondContact O-N 3.45Å; Q146-R150 PolarHBondContact O-N 3.31Å; Q146-R150 VanDerWaalsContact O-N 3.09Å
147	L	94.3	Very high	92.2	Very high	2 Å²	2	53 Å²	53	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-62.3	-44.8	175.4	176.2	60.4	0	0	0	111.2	I128 T143 I144 R149 R150 I151 L286 F289 L298	I128-L147 HydrophobicContact CD1-CD2 3.91Å; T143-L147 PolarHBondContact O-N 3.23Å; I144-L147 WeakPolarHBondContact O-CB 3.5Å; I144-L147 PolarHBondContact O-N 3.33Å; L147-R149 PolarHBondContact O-N 3.03Å; L147-R150 PolarHBondContact O-N 2.68Å; L147-I151 HydrophobicContact CD1-CD1 3.84Å; L147-I151 HydrophobicContact CD1-CG1 4.19Å; L147-I151 HydrophobicContact CG-CD1 3.8Å; L147-I151 WeakPolarHBondContact O-CG1 3.28Å; L147-I151 PolarHBondContact O-N 3.46Å; L147-L286 HydrophobicContact CD1-CD2 3.98Å; L147-L286 HydrophobicContact CD2-CD2 3.9Å; L147-L286 HydrophobicContact CG-CD2 4.42Å; L147-F289 HydrophobicContact CB-CD1 4.34Å; L147-F289 HydrophobicContact CB-CE1 3.86Å; L147-F289 HydrophobicContact CB-CE2 4.37Å; L147-F289 HydrophobicContact CB-CZ 3.87Å; L147-F289 HydrophobicContact CD1-CB 4.21Å; L147-F289 HydrophobicContact CD1-CD1 3.88Å; L147-F289 HydrophobicContact CD1-CD2 4.16Å; L147-F289 HydrophobicContact CD1-CE1 4.26Å; L147-F289 HydrophobicContact CD1-CG 3.83Å; L147-F289 HydrophobicContact CD2-CD1 4.32Å; L147-F289 HydrophobicContact CD2-CE1 4.38Å; L147-F289 HydrophobicContact CG-CD1 4.4Å; L147-F289 HydrophobicContact CG-CE1 4.38Å; L147-L298 HydrophobicContact CD2-CD2 3.95Å
148	H	94.4	Very high	91.5	Very high	17 Å²	17	50.4 Å²	50.4	8%	0.079	25%	0.245	C	C	.	.	H	α-helix	trans	-56.6	-49.6	176	175.1	61.3	0	0	0	111.9	I144 L145 R150 I151 Y152 I190 Y262	I144-H148 PolarHBondContact O-N 2.88Å; L145-H148 PolarHBondContact O-N 3.09Å; H148-R150 VanDerWaalsContact C-N 3.32Å; H148-R150 PolarHBondContact O-N 3.02Å; H148-I151 PolarHBondContact O-N 3.48Å; H148-Y152 WeakPolarHBondContact O-CB 3.31Å; H148-Y152 PolarHBondContact O-N 3.36Å; H148-I190 HydrophobicContact CB-CD1 4.44Å; H148-I190 VanDerWaalsContact ND1-CD1 3.35Å; H148-I190 WeakPolarHBondContact ND1-CD1 3.5Å; H148-Y262 AromaticContact CE1-CE1 3.92Å; H148-Y262 AromaticContact ND1-CE1 3.55Å; H148-Y262 AromaticContact ND1-CZ 3.72Å; H148-Y262 PolarHBondContact ND1-OH 2.87Å
149	R	93.8	Very high	90.8	Very high	99 Å²	99	49.9 Å²	49.9	37%	0.374	24%	0.242	S	C	.	.	H	α-helix	trans	-58.2	-41.9	177.8	-68.8	171.1	-165.7	143.1	6.5	112.2	E142 L145 Q146 L147 Y152 Q153	E142-R149 IonicContact OE1-NH1 3.5Å; L145-R149 VanDerWaalsContact O-CG 3.32Å; L145-R149 WeakPolarHBondContact O-CG 3.46Å; L145-R149 PolarHBondContact O-N 3.25Å; Q146-R149 PolarHBondContact O-N 3.45Å; L147-R149 PolarHBondContact O-N 3.03Å; R149-Y152 PolarHBondContact O-N 2.89Å; R149-Q153 WeakPolarHBondContact O-CB 3.38Å; R149-Q153 WeakPolarHBondContact O-CG 3.37Å; R149-Q153 PolarHBondContact O-N 2.9Å
150	R	93.8	Very high	89.5	Confident	131 Å²	131	47.7 Å²	47.7	49%	0.494	23%	0.234	S	C	.	.	H	α-helix	trans	-63	-44.7	176.2	-77.4	-172.2	174.6	-150	0.5	112.8	Q146 L147 H148 Y152 Q153 M154 E285	Q146-R150 PolarHBondContact O-N 3.31Å; Q146-R150 VanDerWaalsContact O-N 3.09Å; L147-R150 PolarHBondContact O-N 2.68Å; H148-R150 VanDerWaalsContact C-N 3.32Å; H148-R150 PolarHBondContact O-N 3.02Å; R150-Y152 VanDerWaalsContact C-N 3.32Å; R150-Q153 PolarHBondContact O-N 2.95Å; R150-M154 PolarHBondContact O-N 3.27Å; R150-M154 VanDerWaalsContact O-N 3.09Å; R150-E285 IonicContact NH1-OE1 3.19Å; R150-E285 PolarHBondContact NH1-OE1 3.39Å
151	I	93.5	Very high	88	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.1	-41.7	177.9	-67	161.9	0	0	0	110.1	L147 H148 Q153 M154 Y262 W278 F282 L286	L147-I151 HydrophobicContact CD1-CD1 3.84Å; L147-I151 HydrophobicContact CD1-CG1 4.19Å; L147-I151 HydrophobicContact CG-CD1 3.8Å; L147-I151 WeakPolarHBondContact O-CG1 3.28Å; L147-I151 PolarHBondContact O-N 3.46Å; H148-I151 PolarHBondContact O-N 3.48Å; I151-Q153 VanDerWaalsContact C-N 3.34Å; I151-Q153 PolarHBondContact O-N 3Å; I151-M154 VanDerWaalsContact O-CB 3.26Å; I151-M154 WeakPolarHBondContact O-CB 3.46Å; I151-M154 PolarHBondContact O-N 3.13Å; I151-Y262 HydrophobicContact CB-CE1 4.37Å; I151-Y262 HydrophobicContact CD1-CE2 3.95Å; I151-Y262 HydrophobicContact CG2-CD1 3.98Å; I151-Y262 HydrophobicContact CG2-CD2 4.32Å; I151-Y262 HydrophobicContact CG2-CE1 3.76Å; I151-Y262 HydrophobicContact CG2-CE2 4.14Å; I151-Y262 HydrophobicContact CG2-CG 4.25Å; I151-W278 HydrophobicContact CG2-CH2 4.18Å; I151-W278 HydrophobicContact CG2-CZ2 3.79Å; I151-F282 HydrophobicContact CD1-CD2 4.39Å; I151-F282 HydrophobicContact CD1-CE2 3.9Å; I151-F282 HydrophobicContact CG1-CD2 4.37Å; I151-F282 HydrophobicContact CG1-CE2 4.36Å; I151-F282 HydrophobicContact CG2-CD2 4.04Å; I151-F282 HydrophobicContact CG2-CE2 4.16Å; I151-L286 HydrophobicContact CD1-CD2 4.36Å
152	Y	90.9	Very high	86.5	Confident	79 Å²	79	54.5 Å²	54.5	31%	0.31	29%	0.288	S	S	.	.	H	α-helix	trans	-64.6	-36.6	179	-161.4	-86.2	0	0	0	112.7	H148 R149 R150 M154 F172 C184	H148-Y152 WeakPolarHBondContact O-CB 3.31Å; H148-Y152 PolarHBondContact O-N 3.36Å; R149-Y152 PolarHBondContact O-N 2.89Å; R150-Y152 VanDerWaalsContact C-N 3.32Å; Y152-M154 VanDerWaalsContact C-N 3.34Å; Y152-F172 AromaticContact CD2-CD1 3.74Å; Y152-F172 HydrophobicContact CD2-CD1 3.74Å; Y152-F172 AromaticContact CD2-CE1 3.99Å; Y152-F172 HydrophobicContact CD2-CE1 3.99Å; Y152-F172 AromaticContact CE2-CD1 3.98Å; Y152-F172 HydrophobicContact CE2-CD1 3.98Å; Y152-F172 HydrophobicContact CE2-CE1 4.09Å; Y152-F172 HydrophobicContact CG-CD1 4.29Å; Y152-C184 HydrophobicContact CE2-CB 4.13Å
153	Q	91.4	Very high	84.8	Confident	143 Å²	143	52.8 Å²	52.8	67%	0.668	28%	0.284	S	S	*	.	H	α-helix	trans	-84.8	-4.7	178.1	-68.5	173.9	-9.5	0	0	113.8	R149 R150 I151 Q155	R149-Q153 WeakPolarHBondContact O-CB 3.38Å; R149-Q153 WeakPolarHBondContact O-CG 3.37Å; R149-Q153 PolarHBondContact O-N 2.9Å; R150-Q153 PolarHBondContact O-N 2.95Å; I151-Q153 VanDerWaalsContact C-N 3.34Å; I151-Q153 PolarHBondContact O-N 3Å; Q153-Q155 PolarHBondContact O-N 2.82Å
154	M	91.1	Very high	83.1	Confident	26 Å²	26	56.1 Å²	56.1	13%	0.128	32%	0.321	C	S	.	.			trans	-61	135.7	-178.4	-179.3	179.5	-87.8	0	0	111.3	R150 I151 Y152 S171 F172 A281 E285	R150-M154 PolarHBondContact O-N 3.27Å; R150-M154 VanDerWaalsContact O-N 3.09Å; I151-M154 VanDerWaalsContact O-CB 3.26Å; I151-M154 WeakPolarHBondContact O-CB 3.46Å; I151-M154 PolarHBondContact O-N 3.13Å; Y152-M154 VanDerWaalsContact C-N 3.34Å; M154-S171 WeakPolarHBondContact O-CA 3.48Å; M154-F172 PolarHBondContact O-N 3.49Å; M154-A281 HydrophobicContact CE-CB 4.23Å; M154-A281 WeakPolarHBondContact CE-O 3.41Å; M154-A281 HydrophobicContact SD-CB 3.7Å; M154-E285 HydrophobicContact CE-CB 3.32Å; M154-E285 HydrophobicContact CE-CG 3.84Å
155	Q	89.9	Confident	81.5	Confident	119 Å²	119	59.9 Å²	59.9	56%	0.556	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	144.1	177.6	-61	-175.8	1.6	0	0	111.4	Q153 Y170	Q153-Q155 PolarHBondContact O-N 2.82Å; Q155-Y170 CarbonylContact C-O 3.54Å; Q155-Y170 WeakPolarHBondContact CA-O 3.49Å
156	V	89.3	Confident	79.9	Confident	11 Å²	11	64.5 Å²	64.5	7%	0.067	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	119.4	177.9	-178.4	0	0	0	0	109.3	Y170 R277 W278 A281	V156-Y170 PolarHBondContact N-O 3.34Å; V156-Y170 PolarHBondContact O-N 2.95Å; V156-R277 HydrophobicContact CG1-CB 3.63Å; V156-W278 HydrophobicContact CG2-CB 3.89Å; V156-W278 HydrophobicContact CG2-CG 4.18Å; V156-A281 HydrophobicContact CG2-CB 4.41Å
157	T	84.3	Confident	78.6	Confident	89 Å²	89	63.9 Å²	63.9	55%	0.546	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	130.9	-179.6	63.4	0	0	0	0	110.8	N169	T157-N169 WeakPolarHBondContact CB-OD1 3.4Å; T157-N169 WeakPolarHBondContact CG2-OD1 3.09Å
158	V	77.8	Confident	77.9	Confident	5 Å²	5	68.3 Å²	68.3	3%	0.03	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	119.7	174.2	-178.6	0	0	0	0	109.8	T162 A163 G167 F168 Y170 V274	V158-T162 WeakPolarHBondContact CG1-OG1 3.34Å; V158-A163 HydrophobicContact CG1-CB 4.1Å; V158-G167 WeakPolarHBondContact O-CA 3.49Å; V158-F168 PolarHBondContact N-O 3.31Å; V158-Y170 HydrophobicContact CB-CD2 4.47Å; V158-Y170 HydrophobicContact CB-CE2 4.15Å; V158-Y170 HydrophobicContact CG2-CD2 3.7Å; V158-Y170 HydrophobicContact CG2-CE2 3.7Å; V158-V274 HydrophobicContact CG2-CB 4.44Å; V158-V274 HydrophobicContact CG2-CG1 4.11Å; V158-V274 HydrophobicContact CG2-CG2 3.62Å
159	P	75	Confident	77.6	Confident	70 Å²	70	71.1 Å²	71.1	46%	0.455	42%	0.424	S	S	.	.			trans	-60.8	143.9	178.8	-22.2	32.5	0	0	0	112.1	A161 T162 A163	P159-A161 PolarHBondContact O-N 3.15Å; P159-A161 VanDerWaalsContact O-N 3.13Å; P159-T162 PolarHBondContact O-N 2.92Å; P159-T162 PolarHBondContact O-OG1 2.96Å; P159-A163 PolarHBondContact O-N 3.15Å
160	A	63.8	Low	77.3	Confident	52 Å²	52	68 Å²	68	43%	0.43	41%	0.413	S	S	.	.	H	α-helix	trans	-53.9	-35.9	-176.9	0	0	0	0	0	113.3	T162 A163 G164 S165	A160-T162 PolarHBondContact O-N 3.05Å; A160-A163 PolarHBondContact O-N 2.91Å; A160-A163 VanDerWaalsContact O-N 3.11Å; A160-G164 PolarHBondContact O-N 2.92Å; A160-S165 WeakPolarHBondContact CA-O 3.41Å
161	A	61.7	Low	77.1	Confident	106 Å²	106	62.7 Å²	62.7	88%	0.876	40%	0.396	S	S	*	.	H	α-helix	trans	-57.9	-22	176.6	0	0	0	0	0	114.2	P159	P159-A161 PolarHBondContact O-N 3.15Å; P159-A161 VanDerWaalsContact O-N 3.13Å
162	T	60.4	Low	76.9	Confident	58 Å²	58	62.7 Å²	62.7	36%	0.356	40%	0.396	S	S	.	.	H	α-helix	trans	-104.2	-16.4	178.4	41.4	0	0	0	0	114.4	V158 P159 A160	V158-T162 WeakPolarHBondContact CG1-OG1 3.34Å; P159-T162 PolarHBondContact O-N 2.92Å; P159-T162 PolarHBondContact O-OG1 2.96Å; A160-T162 PolarHBondContact O-N 3.05Å
163	A	57.9	Low	76.7	Confident	24 Å²	24	61.8 Å²	61.8	20%	0.198	40%	0.401	C	S	.	.	H	α-helix	trans	-104.2	-7.5	-174.2	0	0	0	0	0	113.8	V158 P159 A160 S165	V158-A163 HydrophobicContact CG1-CB 4.1Å; P159-A163 PolarHBondContact O-N 3.15Å; A160-A163 PolarHBondContact O-N 2.91Å; A160-A163 VanDerWaalsContact O-N 3.11Å; A163-S165 PolarHBondContact O-N 3.18Å; A163-S165 VanDerWaalsContact O-N 3.08Å
164	G	58.2	Low	76.4	Confident	83 Å²	83	61.8 Å²	61.8	86%	0.856	40%	0.396	S	S	*	.	S	Bend	trans	71.6	-4.4	178.4	0	0	0	0	0	114.8	A160	A160-G164 PolarHBondContact O-N 2.92Å
165	S	59.7	Low	76.2	Confident	80 Å²	80	60.6 Å²	60.6	56%	0.559	39%	0.39	S	S	*	.	S	Bend	trans	-151.9	176.7	171.1	62.2	0	0	0	0	109.5	A160 A163 G167	A160-S165 WeakPolarHBondContact CA-O 3.41Å; A163-S165 PolarHBondContact O-N 3.18Å; A163-S165 VanDerWaalsContact O-N 3.08Å; S165-G167 PolarHBondContact O-N 3.05Å
166	S	61.2	Low	76.1	Confident	100 Å²	100	55.2 Å²	55.2	70%	0.699	37%	0.366	S	S	*	.	S	Bend	trans	-37.4	133.3	-179.3	52.2	0	0	0	0	112.6	F168	S166-F168 PolarHBondContact O-N 2.97Å
167	G	67.4	Low	75.9	Confident	47 Å²	47	55 Å²	55	49%	0.485	36%	0.364	S	S	.	.			trans	-51.9	128.9	-175.9	0	0	0	0	0	112.1	V158 S165	V158-G167 WeakPolarHBondContact O-CA 3.49Å; S165-G167 PolarHBondContact O-N 3.05Å
168	F	81.4	Confident	75.9	Confident	95 Å²	95	52.3 Å²	52.3	42%	0.417	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	141.8	-177.2	-165.6	-94.2	0	0	0	110.5	V158 S166 Y170	V158-F168 PolarHBondContact N-O 3.31Å; S166-F168 PolarHBondContact O-N 2.97Å; F168-Y170 HydrophobicContact CB-CE2 3.97Å; F168-Y170 AromaticContact CD1-CD1 3.94Å; F168-Y170 HydrophobicContact CD1-CD1 3.94Å; F168-Y170 AromaticContact CD1-CD2 3.89Å; F168-Y170 HydrophobicContact CD1-CD2 3.89Å; F168-Y170 AromaticContact CD1-CE1 3.79Å; F168-Y170 HydrophobicContact CD1-CE1 3.79Å; F168-Y170 AromaticContact CD1-CE2 3.74Å; F168-Y170 HydrophobicContact CD1-CE2 3.74Å; F168-Y170 AromaticContact CD1-CG 4Å; F168-Y170 HydrophobicContact CD1-CG 4Å; F168-Y170 AromaticContact CD1-CZ 3.69Å; F168-Y170 HydrophobicContact CE1-CD1 4.16Å; F168-Y170 HydrophobicContact CE1-CE1 4.18Å; F168-Y170 HydrophobicContact CE1-CG 4.47Å; F168-Y170 HydrophobicContact CG-CE2 4.32Å
169	N	86.9	Confident	76	Confident	76 Å²	76	53.3 Å²	53.3	41%	0.406	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	113.9	176.4	-69.1	-3.2	0	0	0	109.1	T157	T157-N169 WeakPolarHBondContact CB-OD1 3.4Å; T157-N169 WeakPolarHBondContact CG2-OD1 3.09Å
170	Y	87.4	Confident	76	Confident	33 Å²	33	54.7 Å²	54.7	13%	0.129	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	116.6	178.4	-65.8	-92.3	0	0	0	109.4	Q155 V156 V158 F168 M271 V274	Q155-Y170 CarbonylContact C-O 3.54Å; Q155-Y170 WeakPolarHBondContact CA-O 3.49Å; V156-Y170 PolarHBondContact N-O 3.34Å; V156-Y170 PolarHBondContact O-N 2.95Å; V158-Y170 HydrophobicContact CB-CD2 4.47Å; V158-Y170 HydrophobicContact CB-CE2 4.15Å; V158-Y170 HydrophobicContact CG2-CD2 3.7Å; V158-Y170 HydrophobicContact CG2-CE2 3.7Å; F168-Y170 HydrophobicContact CB-CE2 3.97Å; F168-Y170 AromaticContact CD1-CD1 3.94Å; F168-Y170 HydrophobicContact CD1-CD1 3.94Å; F168-Y170 AromaticContact CD1-CD2 3.89Å; F168-Y170 HydrophobicContact CD1-CD2 3.89Å; F168-Y170 AromaticContact CD1-CE1 3.79Å; F168-Y170 HydrophobicContact CD1-CE1 3.79Å; F168-Y170 AromaticContact CD1-CE2 3.74Å; F168-Y170 HydrophobicContact CD1-CE2 3.74Å; F168-Y170 AromaticContact CD1-CG 4Å; F168-Y170 HydrophobicContact CD1-CG 4Å; F168-Y170 AromaticContact CD1-CZ 3.69Å; F168-Y170 HydrophobicContact CE1-CD1 4.16Å; F168-Y170 HydrophobicContact CE1-CE1 4.18Å; F168-Y170 HydrophobicContact CE1-CG 4.47Å; F168-Y170 HydrophobicContact CG-CE2 4.32Å; Y170-M271 HydrophobicContact CE1-SD 4.32Å; Y170-V274 HydrophobicContact CD2-CG1 3.81Å; Y170-V274 HydrophobicContact CD2-CG2 4.28Å; Y170-V274 HydrophobicContact CE2-CG2 4.18Å; Y170-V274 HydrophobicContact CG-CG1 3.83Å
171	S	89.3	Confident	76.7	Confident	20 Å²	20	60.7 Å²	60.7	14%	0.14	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	163.1	167	58.7	0	0	0	0	111.2	M154 S173 Y174 L175	M154-S171 WeakPolarHBondContact O-CA 3.48Å; S171-S173 PolarHBondContact O-N 3.29Å; S171-S173 PolarHBondContact OG-OG 2.8Å; S171-Y174 PolarHBondContact O-N 3.02Å; S171-Y174 VanDerWaalsContact O-N 3.07Å; S171-Y174 WeakPolarHBondContact OG-CD2 3.49Å; S171-L175 PolarHBondContact O-N 2.82Å
172	F	89.3	Confident	77.6	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-55.1	-35.3	174.4	178.3	-109.7	0	0	0	112.6	Y152 M154 Y174 L175 C176 C184 Y262 L264 W278	Y152-F172 AromaticContact CD2-CD1 3.74Å; Y152-F172 HydrophobicContact CD2-CD1 3.74Å; Y152-F172 AromaticContact CD2-CE1 3.99Å; Y152-F172 HydrophobicContact CD2-CE1 3.99Å; Y152-F172 AromaticContact CE2-CD1 3.98Å; Y152-F172 HydrophobicContact CE2-CD1 3.98Å; Y152-F172 HydrophobicContact CE2-CE1 4.09Å; Y152-F172 HydrophobicContact CG-CD1 4.29Å; M154-F172 PolarHBondContact O-N 3.49Å; F172-Y174 PolarHBondContact O-N 3.13Å; F172-L175 CarbonylContact O-C 3.49Å; F172-L175 PolarHBondContact O-N 2.99Å; F172-C176 HydrophobicContact CD1-CB 4.23Å; F172-C176 HydrophobicContact CD2-CB 4.41Å; F172-C176 HydrophobicContact CE1-CB 3.75Å; F172-C176 HydrophobicContact CE2-CB 3.96Å; F172-C176 HydrophobicContact CZ-CB 3.6Å; F172-C176 WeakPolarHBondContact O-CB 3.42Å; F172-C176 PolarHBondContact O-N 3.38Å; F172-C184 HydrophobicContact CE1-CB 4.08Å; F172-Y262 HydrophobicContact CE1-CD1 4.24Å; F172-Y262 HydrophobicContact CE2-CD1 4.37Å; F172-Y262 AromaticContact CZ-CD1 3.89Å; F172-Y262 HydrophobicContact CZ-CD1 3.89Å; F172-Y262 HydrophobicContact CZ-CG 4.48Å; F172-L264 HydrophobicContact CD2-CD2 3.94Å; F172-L264 HydrophobicContact CE2-CD2 3.73Å; F172-W278 AromaticContact CD2-CE2 3.79Å; F172-W278 HydrophobicContact CD2-CH2 4.34Å; F172-W278 AromaticContact CD2-CZ2 3.56Å; F172-W278 HydrophobicContact CD2-CZ2 3.56Å; F172-W278 AromaticContact CD2-NE1 3.93Å; F172-W278 HydrophobicContact CE2-CH2 4.33Å; F172-W278 AromaticContact CE2-CZ2 3.98Å; F172-W278 HydrophobicContact CE2-CZ2 3.98Å; F172-W278 HydrophobicContact CG-CZ2 4.38Å
173	S	86.7	Confident	78.8	Confident	61 Å²	61	63.5 Å²	63.5	43%	0.427	37%	0.374	S	S	.	.	H	α-helix	trans	-59.4	-27.5	177.3	59.3	0	0	0	0	114.5	S171	S171-S173 PolarHBondContact O-N 3.29Å; S171-S173 PolarHBondContact OG-OG 2.8Å
174	Y	85.5	Confident	80.2	Confident	143 Å²	143	62.8 Å²	62.8	56%	0.561	37%	0.367	S	S	*	.	H	α-helix	trans	-84.7	-19.7	173.8	-73.1	-75	0	0	0	113.4	S171 F172	S171-Y174 PolarHBondContact O-N 3.02Å; S171-Y174 VanDerWaalsContact O-N 3.07Å; S171-Y174 WeakPolarHBondContact OG-CD2 3.49Å; F172-Y174 PolarHBondContact O-N 3.13Å
175	L	87.8	Confident	81.4	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-101.5	-21.8	-174.6	-63.3	173.4	0	0	0	112.9	S171 F172 L264 Q265 M271 V274 W278	S171-L175 PolarHBondContact O-N 2.82Å; F172-L175 CarbonylContact O-C 3.49Å; F172-L175 PolarHBondContact O-N 2.99Å; L175-L264 HydrophobicContact CB-CD2 4.01Å; L175-L264 CarbonylContact O-C 3.48Å; L175-L264 WeakPolarHBondContact O-CA 3.44Å; L175-Q265 PolarHBondContact O-N 3.06Å; L175-M271 HydrophobicContact CD2-CE 3.68Å; L175-M271 HydrophobicContact CD2-SD 4.38Å; L175-V274 HydrophobicContact CD1-CG1 4.14Å; L175-V274 HydrophobicContact CD2-CB 4.18Å; L175-V274 HydrophobicContact CD2-CG1 3.75Å; L175-W278 HydrophobicContact CD1-CB 3.99Å; L175-W278 HydrophobicContact CD1-CG 4.02Å
176	C	88	Confident	82.6	Confident	6 Å²	6	56.8 Å²	56.8	4%	0.041	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-69.8	164.2	-174.4	71.7	0	0	0	0	112.3	F172 P178 C184 Y263	F172-C176 HydrophobicContact CD1-CB 4.23Å; F172-C176 HydrophobicContact CD2-CB 4.41Å; F172-C176 HydrophobicContact CE1-CB 3.75Å; F172-C176 HydrophobicContact CE2-CB 3.96Å; F172-C176 HydrophobicContact CZ-CB 3.6Å; F172-C176 WeakPolarHBondContact O-CB 3.42Å; F172-C176 PolarHBondContact O-N 3.38Å; C176-P178 WeakPolarHBondContact O-CD 3.25Å; C176-C184 HydrophobicContact CB-CB 3.57Å; C176-C184 WeakPolarHBondContact CB-SG 3.48Å; C176-C184 WeakPolarHBondContact SG-CA 3.26Å; C176-C184 WeakPolarHBondContact SG-CB 3.21Å; C176-C184 CovalentContact SG-SG 2.02Å; C176-C184 PolarHBondContact SG-SG 3.27Å; C176-Y263 WeakPolarHBondContact CA-O 3.42Å
177	L	85	Confident	83.8	Confident	8 Å²	8	52.3 Å²	52.3	4%	0.042	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-79.2	119	167	-167.9	73.1	0	0	0	109.3	V106 L113 P120 I185 Y263	V106-L177 HydrophobicContact CG1-CD2 4.18Å; L113-L177 HydrophobicContact CD1-CD2 3.72Å; P120-L177 HydrophobicContact CB-CD2 4.22Å; P120-L177 HydrophobicContact CG-CD2 4.19Å; L177-I185 HydrophobicContact CB-CD1 4.34Å; L177-I185 HydrophobicContact CD2-CD1 3.77Å; L177-I185 HydrophobicContact CG-CD1 3.98Å; L177-I185 PolarHBondContact O-N 2.89Å; L177-Y263 PolarHBondContact N-O 2.98Å
178	P	84.2	Confident	84.7	Confident	32 Å²	32	51.6 Å²	51.6	21%	0.208	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-81.7	141.1	179	32.1	-33.4	0	0	0	111.7	C176 V183	C176-P178 WeakPolarHBondContact O-CD 3.25Å; P178-V183 CarbonylContact C-O 3.53Å; P178-V183 WeakPolarHBondContact CA-O 3.34Å
179	D	78.9	Confident	85.1	Confident	25 Å²	25	47.1 Å²	47.1	13%	0.134	24%	0.244	C	C	.	.			trans	-72.6	175.1	164.6	-166.6	12.7	0	0	0	110.7	H111 K181 N182 V183 I185	H111-D179 IonicContact CD2-OD1 3.66Å; H111-D179 PolarHBondContact CD2-OD1 3.08Å; H111-D179 IonicContact NE2-OD1 3.71Å; H111-D179 PolarHBondContact NE2-OD1 3.36Å; D179-K181 PolarHBondContact O-N 2.86Å; D179-K181 VanDerWaalsContact O-N 3.16Å; D179-N182 WeakPolarHBondContact O-CA 3.49Å; D179-N182 PolarHBondContact O-N 3.48Å; D179-V183 WeakPolarHBondContact CB-O 3.26Å; D179-V183 PolarHBondContact N-O 3.36Å; D179-I185 HydrophobicContact CB-CG1 3.86Å
180	D	75	Confident	85.3	Confident	99 Å²	99	43.9 Å²	43.9	53%	0.529	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.8	-179.9	-75	-8.6	0	0	0	113.6	K110 H111 N182	K110-D180 WeakPolarHBondContact CD-OD1 3.48Å; K110-D180 IonicContact NZ-OD1 3.65Å; K110-D180 PolarHBondContact NZ-OD1 3.32Å; H111-D180 IonicContact CE1-OD2 3.97Å; H111-D180 PolarHBondContact CE1-OD2 2.9Å; H111-D180 IonicContact NE2-OD2 3.72Å; D180-N182 VanDerWaalsContact C-N 3.28Å; D180-N182 PolarHBondContact O-N 2.78Å
181	K	78.7	Confident	85.4	Confident	179 Å²	179	47 Å²	47	78%	0.778	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	9.5	170.9	-61.3	-180	-176.1	174.9	0	113.8	D179 V183	D179-K181 PolarHBondContact O-N 2.86Å; D179-K181 VanDerWaalsContact O-N 3.16Å; K181-V183 HydrophobicContact CB-CG2 4.35Å; K181-V183 PolarHBondContact O-N 3.4Å
182	N	81.6	Confident	85.4	Confident	143 Å²	143	46.4 Å²	46.4	77%	0.765	23%	0.234	S	C	*	.	S	Bend	trans	59	25.4	-172.4	-72	-34.1	0	0	0	114.8	D179 D180	D179-N182 WeakPolarHBondContact O-CA 3.49Å; D179-N182 PolarHBondContact O-N 3.48Å; D180-N182 VanDerWaalsContact C-N 3.28Å; D180-N182 PolarHBondContact O-N 2.78Å
183	V	84.7	Confident	85.6	Confident	80 Å²	80	46.6 Å²	46.6	49%	0.485	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-102.2	143.4	174.8	-179	0	0	0	0	109.3	P178 D179 K181 I185	P178-V183 CarbonylContact C-O 3.53Å; P178-V183 WeakPolarHBondContact CA-O 3.34Å; D179-V183 WeakPolarHBondContact CB-O 3.26Å; D179-V183 PolarHBondContact N-O 3.36Å; K181-V183 HydrophobicContact CB-CG2 4.35Å; K181-V183 PolarHBondContact O-N 3.4Å; V183-I185 PolarHBondContact O-N 2.93Å
184	C	86.8	Confident	85.8	Confident	8 Å²	8	47.6 Å²	47.6	5%	0.054	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-57.1	132.9	175.9	-60.5	0	0	0	0	112	Y152 F172 C176 V186	Y152-C184 HydrophobicContact CE2-CB 4.13Å; F172-C184 HydrophobicContact CE1-CB 4.08Å; C176-C184 HydrophobicContact CB-CB 3.57Å; C176-C184 WeakPolarHBondContact CB-SG 3.48Å; C176-C184 WeakPolarHBondContact SG-CA 3.26Å; C176-C184 WeakPolarHBondContact SG-CB 3.21Å; C176-C184 CovalentContact SG-SG 2.02Å; C176-C184 PolarHBondContact SG-SG 3.27Å; C184-V186 HydrophobicContact CB-CG2 4.46Å; C184-V186 PolarHBondContact O-N 2.94Å
185	I	83.9	Confident	86	Confident	16 Å²	16	43.9 Å²	43.9	8%	0.082	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-72.4	127.1	171.3	-60.6	156.1	0	0	0	108.7	K110 L113 L177 D179 V183	K110-I185 HydrophobicContact CB-CD1 3.86Å; K110-I185 HydrophobicContact CG-CD1 4.23Å; K110-I185 VanDerWaalsContact O-CD1 3.23Å; K110-I185 WeakPolarHBondContact O-CD1 3.25Å; L113-I185 HydrophobicContact CD1-CD1 4.16Å; L113-I185 HydrophobicContact CD1-CG2 4.05Å; L177-I185 HydrophobicContact CB-CD1 4.34Å; L177-I185 HydrophobicContact CD2-CD1 3.77Å; L177-I185 HydrophobicContact CG-CD1 3.98Å; L177-I185 PolarHBondContact O-N 2.89Å; D179-I185 HydrophobicContact CB-CG1 3.86Å; V183-I185 PolarHBondContact O-N 2.93Å
186	V	84.6	Confident	86.1	Confident	22 Å²	22	44.4 Å²	44.4	13%	0.133	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-135.6	151.5	178.9	-168.7	0	0	0	0	108.2	C184 D188 I190	C184-V186 HydrophobicContact CB-CG2 4.46Å; C184-V186 PolarHBondContact O-N 2.94Å; V186-D188 PolarHBondContact O-N 3.36Å; V186-I190 HydrophobicContact CG1-CB 4.44Å; V186-I190 HydrophobicContact CG1-CD1 3.43Å; V186-I190 VanDerWaalsContact CG1-CD1 3.43Å; V186-I190 HydrophobicContact CG1-CG1 4.1Å
187	D	86.9	Confident	86.2	Confident	6 Å²	6	45.6 Å²	45.6	3%	0.032	23%	0.228	C	C	.	.			trans	-52.1	132.4	178.9	-80.7	-33.6	0	0	0	113.1	I189 I190 Q227 L260 T261	D187-I189 HydrophobicContact CB-CG2 4.05Å; D187-I189 PolarHBondContact O-N 3.23Å; D187-I189 VanDerWaalsContact O-N 3.11Å; D187-I190 WeakPolarHBondContact O-CB 3.19Å; D187-I190 PolarHBondContact O-N 3.32Å; D187-Q227 VanDerWaalsContact CB-NE2 3.27Å; D187-Q227 VanDerWaalsContact CG-NE2 3.28Å; D187-Q227 PolarHBondContact OD1-NE2 3.34Å; D187-L260 WeakPolarHBondContact OD2-CA 3.16Å; D187-T261 WeakPolarHBondContact OD2-CB 3.33Å; D187-T261 PolarHBondContact OD2-N 3.45Å; D187-T261 PolarHBondContact OD2-OG1 2.96Å
188	D	86.4	Confident	86.4	Confident	32 Å²	32	48 Å²	48	17%	0.171	25%	0.246	C	C	.	.	H	α-helix	trans	-58.4	-26.2	-178	-72.2	-48.1	0	0	0	114	V186 I190 R191 A192 L216 R220 A222	V186-D188 PolarHBondContact O-N 3.36Å; D188-I190 PolarHBondContact O-N 3.16Å; D188-R191 WeakPolarHBondContact O-CB 3.2Å; D188-R191 PolarHBondContact O-N 2.8Å; D188-R191 VanDerWaalsContact O-N 3.1Å; D188-R191 IonicContact OD1-CZ 2.74Å; D188-R191 IonicContact OD1-NH1 3.39Å; D188-R191 PolarHBondContact OD1-NH1 3.22Å; D188-A192 PolarHBondContact O-N 2.84Å; D188-L216 HydrophobicContact CB-CD1 4.21Å; D188-R220 IonicContact OD1-NH2 3.13Å; D188-A222 HydrophobicContact CB-CB 3.93Å
189	I	90.3	Very high	86.6	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-58.3	-30.2	174.8	-168.1	54.2	0	0	0	112.7	D187 A192 M193 L209 Q227 L228 V258 L260	D187-I189 HydrophobicContact CB-CG2 4.05Å; D187-I189 PolarHBondContact O-N 3.23Å; D187-I189 VanDerWaalsContact O-N 3.11Å; I189-A192 HydrophobicContact CD1-CB 4.43Å; I189-A192 PolarHBondContact O-N 3.01Å; I189-M193 HydrophobicContact CD1-CG 4.43Å; I189-M193 HydrophobicContact CG1-CG 4.29Å; I189-M193 HydrophobicContact CG1-SD 3.95Å; I189-M193 WeakPolarHBondContact O-CB 3.41Å; I189-M193 WeakPolarHBondContact O-CG 3.16Å; I189-M193 PolarHBondContact O-N 2.92Å; I189-L209 HydrophobicContact CD1-CD2 4.41Å; I189-Q227 HydrophobicContact CB-CB 4.06Å; I189-Q227 HydrophobicContact CB-CG 4.46Å; I189-Q227 HydrophobicContact CG2-CB 4.02Å; I189-Q227 HydrophobicContact CG2-CG 4.16Å; I189-L228 HydrophobicContact CD1-CD1 3.45Å; I189-L228 VanDerWaalsContact CD1-CD1 3.45Å; I189-L228 HydrophobicContact CD1-CG 4.26Å; I189-L228 HydrophobicContact CG1-CD1 4.25Å; I189-V258 HydrophobicContact CG1-CG2 4.11Å; I189-V258 HydrophobicContact CG2-CG2 4.25Å; I189-L260 HydrophobicContact CG2-CD2 3.69Å
190	I	91.3	Very high	87.1	Confident	7 Å²	7	49.6 Å²	49.6	4%	0.036	25%	0.248	C	C	.	.	H	α-helix	trans	-66	-43.2	178.1	-57.9	-160	0	0	0	110.1	L145 H148 V186 D187 D188 A192 M193 E194 L260	L145-I190 HydrophobicContact CD2-CG2 4.23Å; H148-I190 HydrophobicContact CB-CD1 4.44Å; H148-I190 VanDerWaalsContact ND1-CD1 3.35Å; H148-I190 WeakPolarHBondContact ND1-CD1 3.5Å; V186-I190 HydrophobicContact CG1-CB 4.44Å; V186-I190 HydrophobicContact CG1-CD1 3.43Å; V186-I190 VanDerWaalsContact CG1-CD1 3.43Å; V186-I190 HydrophobicContact CG1-CG1 4.1Å; D187-I190 WeakPolarHBondContact O-CB 3.19Å; D187-I190 PolarHBondContact O-N 3.32Å; D188-I190 PolarHBondContact O-N 3.16Å; I190-A192 VanDerWaalsContact C-N 3.35Å; I190-A192 PolarHBondContact O-N 3.27Å; I190-M193 PolarHBondContact O-N 3.04Å; I190-M193 VanDerWaalsContact O-N 3.16Å; I190-E194 HydrophobicContact CG2-CG 4.4Å; I190-E194 WeakPolarHBondContact O-CG 3.45Å; I190-E194 PolarHBondContact O-N 3.02Å; I190-L260 HydrophobicContact CD1-CD1 4.16Å; I190-L260 HydrophobicContact CD1-CD2 3.86Å; I190-L260 HydrophobicContact CG1-CD2 3.69Å
191	R	88.9	Confident	87.7	Confident	100 Å²	100	50.2 Å²	50.2	38%	0.377	26%	0.255	S	S	.	.	H	α-helix	trans	-60.4	-45.8	176.6	-62.9	177.2	177.2	143	-6.6	110.9	D188 M193 E194 E195	D188-R191 WeakPolarHBondContact O-CB 3.2Å; D188-R191 PolarHBondContact O-N 2.8Å; D188-R191 VanDerWaalsContact O-N 3.1Å; D188-R191 IonicContact OD1-CZ 2.74Å; D188-R191 IonicContact OD1-NH1 3.39Å; D188-R191 PolarHBondContact OD1-NH1 3.22Å; R191-M193 VanDerWaalsContact C-N 3.32Å; R191-M193 PolarHBondContact O-N 2.89Å; R191-E194 PolarHBondContact O-N 3.44Å; R191-E195 WeakPolarHBondContact O-CB 3.07Å; R191-E195 PolarHBondContact O-N 3.1Å
192	A	89.8	Confident	88.2	Confident	7 Å²	7	44.6 Å²	44.6	6%	0.058	24%	0.238	C	C	.	.	H	α-helix	trans	-62.5	-38.2	176.1	0	0	0	0	0	112.4	D188 I189 I190 E195 I196 L209 L216	D188-A192 PolarHBondContact O-N 2.84Å; I189-A192 HydrophobicContact CD1-CB 4.43Å; I189-A192 PolarHBondContact O-N 3.01Å; I190-A192 VanDerWaalsContact C-N 3.35Å; I190-A192 PolarHBondContact O-N 3.27Å; A192-E195 PolarHBondContact O-N 3.42Å; A192-I196 VanDerWaalsContact O-CG1 3.25Å; A192-I196 WeakPolarHBondContact O-CG1 3.35Å; A192-I196 PolarHBondContact O-N 3.23Å; A192-L209 HydrophobicContact CB-CD1 4.11Å; A192-L216 HydrophobicContact CB-CD2 4.37Å
193	M	92	Very high	88.4	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.015	24%	0.242	C	C	.	.	H	α-helix	trans	-68.2	-40.8	177.3	-75.8	173	84.5	0	0	112.6	L141 I144 L145 I189 I190 R191 E195 I196 Q197 V258	L141-M193 HydrophobicContact CD1-CB 3.61Å; L141-M193 HydrophobicContact CD1-CE 3.32Å; L141-M193 HydrophobicContact CD1-CG 3.64Å; L141-M193 HydrophobicContact CD1-SD 4.31Å; I144-M193 HydrophobicContact CB-CE 3.97Å; I144-M193 HydrophobicContact CD1-CE 3.87Å; I144-M193 HydrophobicContact CG2-CE 3.61Å; L145-M193 HydrophobicContact CD2-CB 4.21Å; I189-M193 HydrophobicContact CD1-CG 4.43Å; I189-M193 HydrophobicContact CG1-CG 4.29Å; I189-M193 HydrophobicContact CG1-SD 3.95Å; I189-M193 WeakPolarHBondContact O-CB 3.41Å; I189-M193 WeakPolarHBondContact O-CG 3.16Å; I189-M193 PolarHBondContact O-N 2.92Å; I190-M193 PolarHBondContact O-N 3.04Å; I190-M193 VanDerWaalsContact O-N 3.16Å; R191-M193 VanDerWaalsContact C-N 3.32Å; R191-M193 PolarHBondContact O-N 2.89Å; M193-E195 VanDerWaalsContact C-N 3.33Å; M193-I196 PolarHBondContact O-N 3.24Å; M193-Q197 WeakPolarHBondContact O-CB 3.46Å; M193-Q197 PolarHBondContact O-N 3.49Å; M193-V258 HydrophobicContact SD-CG2 4.32Å
194	E	91.7	Very high	88.5	Confident	82 Å²	82	50.3 Å²	50.3	38%	0.383	25%	0.252	S	S	.	.	H	α-helix	trans	-64.1	-39	173.9	-72.1	179.3	158.5	0	0	111.5	L145 I190 R191 Q197 S198	L145-E194 HydrophobicContact CD1-CG 4.34Å; L145-E194 HydrophobicContact CD2-CG 3.81Å; I190-E194 HydrophobicContact CG2-CG 4.4Å; I190-E194 WeakPolarHBondContact O-CG 3.45Å; I190-E194 PolarHBondContact O-N 3.02Å; R191-E194 PolarHBondContact O-N 3.44Å; E194-Q197 PolarHBondContact O-N 3.13Å; E194-S198 WeakPolarHBondContact O-CB 3.41Å; E194-S198 PolarHBondContact O-N 2.75Å; E194-S198 PolarHBondContact O-OG 3.49Å
195	E	89.4	Confident	88.4	Confident	66 Å²	66	55.3 Å²	55.3	31%	0.308	29%	0.287	S	S	.	.	H	α-helix	trans	-65.3	-47.6	175.6	-165	-178	175.7	0	0	111.6	R191 A192 M193 Q197 S198 A199 P207	R191-E195 WeakPolarHBondContact O-CB 3.07Å; R191-E195 PolarHBondContact O-N 3.1Å; A192-E195 PolarHBondContact O-N 3.42Å; M193-E195 VanDerWaalsContact C-N 3.33Å; E195-Q197 PolarHBondContact O-N 3.31Å; E195-S198 WeakPolarHBondContact CA-OG 3.47Å; E195-S198 PolarHBondContact O-N 3.09Å; E195-S198 PolarHBondContact O-OG 3.11Å; E195-A199 WeakPolarHBondContact O-CB 3.45Å; E195-A199 PolarHBondContact O-N 2.78Å; E195-P207 HydrophobicContact CG-CG 4.13Å
196	I	89.8	Confident	88.4	Confident	11 Å²	11	57.6 Å²	57.6	6%	0.056	30%	0.302	C	S	.	.	H	α-helix	trans	-56.7	-42.1	174.2	-71.3	165.9	0	0	0	110.9	L141 A192 M193 R200 V206 P207	L141-I196 HydrophobicContact CD2-CB 4.37Å; L141-I196 HydrophobicContact CD2-CG2 3.72Å; A192-I196 VanDerWaalsContact O-CG1 3.25Å; A192-I196 WeakPolarHBondContact O-CG1 3.35Å; A192-I196 PolarHBondContact O-N 3.23Å; M193-I196 PolarHBondContact O-N 3.24Å; I196-R200 VanDerWaalsContact O-CG 3.27Å; I196-R200 WeakPolarHBondContact O-CG 3.26Å; I196-R200 PolarHBondContact O-N 2.02Å; I196-R200 VanDerWaalsContact O-N 3.13Å; I196-V206 HydrophobicContact CB-CG1 4.32Å; I196-V206 HydrophobicContact CG1-CG1 4.02Å; I196-V206 HydrophobicContact CG2-CG1 3.86Å; I196-P207 HydrophobicContact CG1-CG 3.93Å
197	Q	90.4	Very high	88.3	Confident	31 Å²	31	58.7 Å²	58.7	15%	0.145	31%	0.309	C	S	.	.	H	α-helix	trans	-64.6	-49.4	177.2	170.8	161	87.3	0	0	111.7	L141 E142 L145 M193 E194 E195 A199 R200 T201	L141-Q197 HydrophobicContact CD2-CB 4.21Å; E142-Q197 PolarHBondContact OE2-NE2 3.22Å; L145-Q197 HydrophobicContact CD1-CB 4.07Å; L145-Q197 HydrophobicContact CD1-CG 4.41Å; M193-Q197 WeakPolarHBondContact O-CB 3.46Å; M193-Q197 PolarHBondContact O-N 3.49Å; E194-Q197 PolarHBondContact O-N 3.13Å; E195-Q197 PolarHBondContact O-N 3.31Å; Q197-A199 VanDerWaalsContact C-N 3.34Å; Q197-A199 PolarHBondContact O-N 2.82Å; Q197-R200 WeakPolarHBondContact O-CB 3.48Å; Q197-R200 PolarHBondContact O-N 3.3Å; Q197-T201 PolarHBondContact O-N 2.94Å; Q197-T201 PolarHBondContact O-OG1 2.92Å
198	S	90	Very high	88.2	Confident	59 Å²	59	62.3 Å²	62.3	41%	0.413	33%	0.332	S	S	.	.	H	α-helix	trans	-64.9	-37.1	-178.5	65.8	0	0	0	0	112.5	E194 E195 T201 S202	E194-S198 WeakPolarHBondContact O-CB 3.41Å; E194-S198 PolarHBondContact O-N 2.75Å; E194-S198 PolarHBondContact O-OG 3.49Å; E195-S198 WeakPolarHBondContact CA-OG 3.47Å; E195-S198 PolarHBondContact O-N 3.09Å; E195-S198 PolarHBondContact O-OG 3.11Å; S198-T201 VanDerWaalsContact CA-OG1 3.31Å; S198-T201 WeakPolarHBondContact CA-OG1 3.18Å; S198-T201 PolarHBondContact O-N 2.79Å; S198-T201 PolarHBondContact O-OG1 3.37Å; S198-S202 WeakPolarHBondContact O-CB 3.29Å; S198-S202 PolarHBondContact O-N 2.76Å; S198-S202 PolarHBondContact O-OG 3.35Å
199	A	88.5	Confident	88.2	Confident	8 Å²	8	61.4 Å²	61.4	7%	0.066	33%	0.327	C	S	.	.	H	α-helix	trans	-61.8	-43.7	172.8	0	0	0	0	0	111.2	E195 Q197 S202 N203 R204	E195-A199 WeakPolarHBondContact O-CB 3.45Å; E195-A199 PolarHBondContact O-N 2.78Å; Q197-A199 VanDerWaalsContact C-N 3.34Å; Q197-A199 PolarHBondContact O-N 2.82Å; A199-S202 CarbonylContact O-C 3.57Å; A199-S202 PolarHBondContact O-N 2.89Å; A199-S202 PolarHBondContact O-OG 2.93Å; A199-N203 PolarHBondContact O-N 3.49Å; A199-N203 VanDerWaalsContact O-N 3.08Å; A199-R204 HydrophobicContact CB-CB 4.33Å; A199-R204 PolarHBondContact O-N 3.38Å
200	R	88.4	Confident	88.1	Confident	82 Å²	82	62.8 Å²	62.8	31%	0.309	33%	0.333	S	S	.	.	H	α-helix	trans	-64.2	-43.4	175.7	-73.5	173	-179.8	173.9	1.2	112.3	L136 I196 Q197 S202 N203 V206	L136-R200 PolarHBondContact O-NH1 3.28Å; L136-R200 PolarHBondContact O-NH2 2.66Å; I196-R200 VanDerWaalsContact O-CG 3.27Å; I196-R200 WeakPolarHBondContact O-CG 3.26Å; I196-R200 PolarHBondContact O-N 2.02Å; I196-R200 VanDerWaalsContact O-N 3.13Å; Q197-R200 WeakPolarHBondContact O-CB 3.48Å; Q197-R200 PolarHBondContact O-N 3.3Å; R200-S202 VanDerWaalsContact C-N 3.28Å; R200-S202 PolarHBondContact O-N 3.16Å; R200-N203 PolarHBondContact O-N 3.38Å; R200-V206 HydrophobicContact CG-CG2 3.81Å
201	T	87.3	Confident	87.9	Confident	112 Å²	112	63.9 Å²	63.9	69%	0.687	34%	0.337	S	S	*	.	H	α-helix	trans	-68.9	-27.8	178.7	52.7	0	0	0	0	112.8	Q197 S198	Q197-T201 PolarHBondContact O-N 2.94Å; Q197-T201 PolarHBondContact O-OG1 2.92Å; S198-T201 VanDerWaalsContact CA-OG1 3.31Å; S198-T201 WeakPolarHBondContact CA-OG1 3.18Å; S198-T201 PolarHBondContact O-N 2.79Å; S198-T201 PolarHBondContact O-OG1 3.37Å
202	S	89.5	Confident	87.7	Confident	60 Å²	60	59.5 Å²	59.5	42%	0.42	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	7.7	177.5	59.6	0	0	0	0	113.9	S198 A199 R200 R204	S198-S202 WeakPolarHBondContact O-CB 3.29Å; S198-S202 PolarHBondContact O-N 2.76Å; S198-S202 PolarHBondContact O-OG 3.35Å; A199-S202 CarbonylContact O-C 3.57Å; A199-S202 PolarHBondContact O-N 2.89Å; A199-S202 PolarHBondContact O-OG 2.93Å; R200-S202 VanDerWaalsContact C-N 3.28Å; R200-S202 PolarHBondContact O-N 3.16Å; S202-R204 PolarHBondContact O-N 3.37Å; S202-R204 VanDerWaalsContact O-N 3.14Å; S202-R204 WeakPolarHBondContact OG-CG 3.37Å
203	N	86.6	Confident	87.6	Confident	159 Å²	159	60.6 Å²	60.6	85%	0.85	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	29.7	-174.8	-71.4	-21.8	0	0	0	114.2	A199 R200	A199-N203 PolarHBondContact O-N 3.49Å; A199-N203 VanDerWaalsContact O-N 3.08Å; R200-N203 PolarHBondContact O-N 3.38Å
204	R	87.1	Confident	87.4	Confident	185 Å²	185	60.7 Å²	60.7	70%	0.698	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-85.2	162.6	173.3	-69.2	-179.4	176.9	178.2	-0.8	110.9	A199 S202 V206	A199-R204 HydrophobicContact CB-CB 4.33Å; A199-R204 PolarHBondContact O-N 3.38Å; S202-R204 PolarHBondContact O-N 3.37Å; S202-R204 VanDerWaalsContact O-N 3.14Å; S202-R204 WeakPolarHBondContact OG-CG 3.37Å; R204-V206 PolarHBondContact O-N 3.36Å
205	S	83.8	Confident	87.1	Confident	112 Å²	112	61.9 Å²	61.9	78%	0.783	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-59.4	124.5	171.1	53.6	0	0	0	0	110.2
206	V	83.3	Confident	87	Confident	64 Å²	64	59.4 Å²	59.4	39%	0.388	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-66.3	130.7	178.2	-179.9	0	0	0	0	109.3	I196 R200 R204	I196-V206 HydrophobicContact CB-CG1 4.32Å; I196-V206 HydrophobicContact CG1-CG1 4.02Å; I196-V206 HydrophobicContact CG2-CG1 3.86Å; R200-V206 HydrophobicContact CG-CG2 3.81Å; R204-V206 PolarHBondContact O-N 3.36Å
207	P	83.3	Confident	86.6	Confident	45 Å²	45	62.8 Å²	62.8	29%	0.292	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-62.3	140.5	177.6	25.4	-33.8	0	0	0	111.1	E195 I196 L209	E195-P207 HydrophobicContact CG-CG 4.13Å; I196-P207 HydrophobicContact CG1-CG 3.93Å; P207-L209 PolarHBondContact O-N 3.43Å
208	V	84.1	Confident	86.1	Confident	83 Å²	83	64.8 Å²	64.8	50%	0.503	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-79.6	119.4	-179.8	179.4	0	0	0	0	109.2	E250	V208-E250 VanDerWaalsContact CG1-O 3.28Å; V208-E250 WeakPolarHBondContact CG1-O 3.22Å
209	L	87.4	Confident	85.7	Confident	13 Å²	13	63.1 Å²	63.1	7%	0.068	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-84.6	117.4	175.7	-163.5	76.5	0	0	0	109.8	I189 A192 P207 T214 I224 L228 G251 V252	I189-L209 HydrophobicContact CD1-CD2 4.41Å; A192-L209 HydrophobicContact CB-CD1 4.11Å; P207-L209 PolarHBondContact O-N 3.43Å; L209-T214 HydrophobicContact CD1-CG2 4.04Å; L209-I224 HydrophobicContact CD1-CD1 3.83Å; L209-I224 HydrophobicContact CD2-CD1 3.82Å; L209-I224 HydrophobicContact CG-CD1 3.68Å; L209-L228 HydrophobicContact CD2-CD1 3.42Å; L209-L228 VanDerWaalsContact CD2-CD1 3.42Å; L209-G251 CarbonylContact O-C 3.57Å; L209-G251 VanDerWaalsContact O-CA 3.22Å; L209-G251 WeakPolarHBondContact O-CA 3.26Å; L209-V252 HydrophobicContact CB-CB 4.45Å; L209-V252 HydrophobicContact CD2-CG2 4.38Å; L209-V252 WeakPolarHBondContact O-CG2 3.42Å; L209-V252 PolarHBondContact O-N 3.24Å
210	H	87.7	Confident	85.5	Confident	29 Å²	29	64.5 Å²	64.5	13%	0.134	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-92.3	151.3	174.5	-66.7	-84.3	0	0	0	111	I213 T214 I224	H210-I213 CarbonylContact C-O 3.52Å; H210-I213 VanDerWaalsContact CB-O 3.22Å; H210-I213 WeakPolarHBondContact CB-O 3.01Å; H210-T214 PolarHBondContact N-OG1 3.31Å; H210-T214 WeakPolarHBondContact O-CB 3Å; H210-I224 VanDerWaalsContact O-CD1 3.26Å; H210-I224 WeakPolarHBondContact O-CD1 3.23Å
211	Y	86.1	Confident	85.3	Confident	30 Å²	30	65.1 Å²	65.1	12%	0.118	36%	0.364	C	S	.	.	S	Bend	trans	-136.6	133.7	-177.6	-177	-99.1	0	0	0	110.2	I224 G225 L228 V231 V240 V252 Y599	Y211-I224 HydrophobicContact CD2-CG1 4.2Å; Y211-G225 PolarHBondContact OH-O 3.21Å; Y211-L228 HydrophobicContact CD2-CB 4.42Å; Y211-L228 HydrophobicContact CE2-CB 4.17Å; Y211-L228 PolarHBondContact OH-O 3.33Å; Y211-V231 HydrophobicContact CD1-CB 4.23Å; Y211-V231 HydrophobicContact CD1-CG1 4Å; Y211-V231 HydrophobicContact CD1-CG2 4.36Å; Y211-V231 HydrophobicContact CD2-CG1 4.43Å; Y211-V231 HydrophobicContact CD2-CG2 3.93Å; Y211-V231 HydrophobicContact CE1-CB 4.09Å; Y211-V231 HydrophobicContact CE1-CG1 4.38Å; Y211-V231 HydrophobicContact CE1-CG2 4.09Å; Y211-V231 HydrophobicContact CE2-CG2 3.69Å; Y211-V231 HydrophobicContact CG-CB 4.47Å; Y211-V231 HydrophobicContact CG-CG1 4.02Å; Y211-V231 HydrophobicContact CG-CG2 4.29Å; Y211-V240 HydrophobicContact CD1-CG2 4.35Å; Y211-V252 HydrophobicContact CG-CG2 4.49Å; Y211-Y599 HydrophobicContact CD1-CE2 4.34Å; Y211-Y599 HydrophobicContact CE1-CD2 4.27Å; Y211-Y599 AromaticContact CE1-CE2 3.45Å; Y211-Y599 HydrophobicContact CE1-CE2 3.45Å; Y211-Y599 VanDerWaalsContact CE1-CE2 3.45Å; Y211-Y599 AromaticContact CZ-CE2 3.73Å; Y211-Y599 WeakPolarHBondContact OH-CD2 3.41Å
212	P	85.9	Confident	85.2	Confident	9 Å²	9	60 Å²	60	6%	0.058	33%	0.334	C	S	.	.	S	Bend	cis	-90.7	-6.5	10.8	36.3	-36.4	0	0	0	115.7	Y223 I224 G225 Y599 Q630	P212-Y223 HydrophobicContact CB-CD2 4.05Å; P212-Y223 HydrophobicContact CB-CE2 3.71Å; P212-Y223 HydrophobicContact CG-CE2 4.28Å; P212-Y223 WeakPolarHBondContact O-CD2 3.46Å; P212-I224 WeakPolarHBondContact O-CG1 3.39Å; P212-I224 PolarHBondContact O-N 3.35Å; P212-G225 PolarHBondContact O-N 2.97Å; P212-Y599 HydrophobicContact CB-CE1 4.43Å; P212-Y599 HydrophobicContact CB-CE2 4.01Å; P212-Y599 HydrophobicContact CG-CE1 4.04Å; P212-Y599 HydrophobicContact CG-CE2 4.37Å; P212-Q630 HydrophobicContact CG-CB 4.4Å; P212-Q630 HydrophobicContact CG-CG 3.99Å
213	I	87.1	Confident	85.1	Confident	30 Å²	30	57.6 Å²	57.6	15%	0.154	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.8	176.7	-59.3	171.5	0	0	0	108.2	H210 Q221 A222 Y223 I632	H210-I213 CarbonylContact C-O 3.52Å; H210-I213 VanDerWaalsContact CB-O 3.22Å; H210-I213 WeakPolarHBondContact CB-O 3.01Å; I213-Q221 HydrophobicContact CG2-CB 3.93Å; I213-A222 WeakPolarHBondContact CA-O 3.23Å; I213-Y223 HydrophobicContact CG1-CD2 4.1Å; I213-I632 HydrophobicContact CD1-CG1 4.08Å
214	T	88	Confident	85.2	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	149.2	176.3	-162.3	0	0	0	0	110.7	L209 H210 Q221 A222 I224	L209-T214 HydrophobicContact CD1-CG2 4.04Å; H210-T214 PolarHBondContact N-OG1 3.31Å; H210-T214 WeakPolarHBondContact O-CB 3Å; T214-Q221 WeakPolarHBondContact O-CA 3.45Å; T214-A222 PolarHBondContact N-O 2.89Å; T214-A222 PolarHBondContact O-N 2.72Å; T214-I224 HydrophobicContact CG2-CD1 3.96Å; T214-I224 HydrophobicContact CG2-CG1 4.45Å; T214-I224 HydrophobicContact CG2-CG2 3.81Å
215	Q	86.6	Confident	85.1	Confident	106 Å²	106	41.4 Å²	41.4	50%	0.495	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	132.5	167.9	-70.3	-179.6	5.8	0	0	109.2	R220 Q221	Q215-R220 WeakPolarHBondContact CA-O 3.27Å; Q215-Q221 HydrophobicContact CG-CG 4.09Å
216	L	86.1	Confident	85.2	Confident	15 Å²	15	36.9 Å²	36.9	8%	0.079	21%	0.21	C	C	.	.			trans	-88.9	165.9	174.8	-66	170.9	0	0	0	110.4	D188 A192 D218 G219 R220 A222	D188-L216 HydrophobicContact CB-CD1 4.21Å; A192-L216 HydrophobicContact CB-CD2 4.37Å; L216-D218 VanDerWaalsContact CB-OD1 3.27Å; L216-D218 WeakPolarHBondContact CB-OD1 3.35Å; L216-D218 PolarHBondContact O-N 3.37Å; L216-D218 VanDerWaalsContact O-N 3.14Å; L216-G219 WeakPolarHBondContact O-CA 3.43Å; L216-G219 PolarHBondContact O-N 3.1Å; L216-R220 HydrophobicContact CD1-CB 4.47Å; L216-R220 PolarHBondContact N-O 3.35Å; L216-A222 HydrophobicContact CD1-CB 3.91Å; L216-A222 HydrophobicContact CG-CB 4.17Å
217	A	81.8	Confident	85.5	Confident	81 Å²	81	34 Å²	34	67%	0.669	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-25.7	178.5	0	0	0	0	0	114.7	G219	A217-G219 PolarHBondContact O-N 3.49Å
218	D	80.1	Confident	85.9	Confident	74 Å²	74	32 Å²	32	40%	0.396	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	2.8	175.9	59.3	12.7	0	0	0	113.3	L216 R220	L216-D218 VanDerWaalsContact CB-OD1 3.27Å; L216-D218 WeakPolarHBondContact CB-OD1 3.35Å; L216-D218 PolarHBondContact O-N 3.37Å; L216-D218 VanDerWaalsContact O-N 3.14Å; D218-R220 VanDerWaalsContact C-N 3.29Å; D218-R220 PolarHBondContact O-N 3.04Å; D218-R220 WeakPolarHBondContact OD1-CB 3.31Å; D218-R220 PolarHBondContact OD1-N 2.92Å; D218-R220 IonicContact OD1-NE 2.7Å; D218-R220 IonicContact OD2-CZ 3.3Å; D218-R220 IonicContact OD2-NE 3.91Å; D218-R220 PolarHBondContact OD2-NE 2.62Å; D218-R220 IonicContact OD2-NH2 3.81Å; D218-R220 PolarHBondContact OD2-NH2 2.75Å
219	G	81.8	Confident	86.2	Confident	24 Å²	24	28 Å²	28	25%	0.247	16%	0.155	C	C	.	.	S	Bend	trans	81.6	-1.7	-178.8	0	0	0	0	0	114.4	L216 A217	L216-G219 WeakPolarHBondContact O-CA 3.43Å; L216-G219 PolarHBondContact O-N 3.1Å; A217-G219 PolarHBondContact O-N 3.49Å
220	R	84.1	Confident	86.2	Confident	37 Å²	37	28.6 Å²	28.6	14%	0.14	16%	0.164	C	C	.	.			trans	-72.7	143.9	176.9	-65.4	-173.5	-65.5	128.5	8.6	111.1	D188 Q215 L216 D218	D188-R220 IonicContact OD1-NH2 3.13Å; Q215-R220 WeakPolarHBondContact CA-O 3.27Å; L216-R220 HydrophobicContact CD1-CB 4.47Å; L216-R220 PolarHBondContact N-O 3.35Å; D218-R220 VanDerWaalsContact C-N 3.29Å; D218-R220 PolarHBondContact O-N 3.04Å; D218-R220 WeakPolarHBondContact OD1-CB 3.31Å; D218-R220 PolarHBondContact OD1-N 2.92Å; D218-R220 IonicContact OD1-NE 2.7Å; D218-R220 IonicContact OD2-CZ 3.3Å; D218-R220 IonicContact OD2-NE 3.91Å; D218-R220 PolarHBondContact OD2-NE 2.62Å; D218-R220 IonicContact OD2-NH2 3.81Å; D218-R220 PolarHBondContact OD2-NH2 2.75Å
221	Q	84.8	Confident	86.3	Confident	94 Å²	94	28.5 Å²	28.5	44%	0.439	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	122.9	171.6	-67.6	-174.3	2.7	0	0	110	I213 T214 Q215	I213-Q221 HydrophobicContact CG2-CB 3.93Å; T214-Q221 WeakPolarHBondContact O-CA 3.45Å; Q215-Q221 HydrophobicContact CG-CG 4.09Å
222	A	85.1	Confident	86.4	Confident	5 Å²	5	31 Å²	31	4%	0.041	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.3	179.1	0	0	0	0	0	111	D188 I213 T214 L216 I224	D188-A222 HydrophobicContact CB-CB 3.93Å; I213-A222 WeakPolarHBondContact CA-O 3.23Å; T214-A222 PolarHBondContact N-O 2.89Å; T214-A222 PolarHBondContact O-N 2.72Å; L216-A222 HydrophobicContact CD1-CB 3.91Å; L216-A222 HydrophobicContact CG-CB 4.17Å; A222-I224 PolarHBondContact O-N 3.01Å
223	Y	86.6	Confident	86.3	Confident	10 Å²	10	30.7 Å²	30.7	4%	0.039	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	107.4	173.4	170.3	-100.3	0	0	0	110.8	Y114 P212 I213 G225 H226 V602 I632 V698	Y114-Y223 HydrophobicContact CD1-CD1 4.24Å; Y114-Y223 HydrophobicContact CE1-CD1 4.09Å; P212-Y223 HydrophobicContact CB-CD2 4.05Å; P212-Y223 HydrophobicContact CB-CE2 3.71Å; P212-Y223 HydrophobicContact CG-CE2 4.28Å; P212-Y223 WeakPolarHBondContact O-CD2 3.46Å; I213-Y223 HydrophobicContact CG1-CD2 4.1Å; Y223-G225 VanDerWaalsContact CZ-CA 3.49Å; Y223-H226 AromaticContact CD1-ND1 3.4Å; Y223-H226 WeakPolarHBondContact CD1-ND1 3.28Å; Y223-H226 HydrophobicContact CE1-CB 4.11Å; Y223-H226 AromaticContact CE1-ND1 3.49Å; Y223-H226 WeakPolarHBondContact CE1-ND1 3.46Å; Y223-H226 PolarHBondContact O-CE1 3.32Å; Y223-H226 VanDerWaalsContact O-CE1 3.31Å; Y223-H226 PolarHBondContact O-ND1 3.37Å; Y223-V602 HydrophobicContact CD1-CG2 3.99Å; Y223-V602 HydrophobicContact CE1-CG2 3.63Å; Y223-I632 HydrophobicContact CG-CD1 4.5Å; Y223-V698 HydrophobicContact CD2-CG2 4.46Å; Y223-V698 HydrophobicContact CE1-CG2 4.12Å; Y223-V698 HydrophobicContact CE2-CB 4.3Å; Y223-V698 HydrophobicContact CE2-CG1 4.07Å; Y223-V698 HydrophobicContact CE2-CG2 3.88Å; Y223-V698 VanDerWaalsContact OH-CG1 3.27Å; Y223-V698 WeakPolarHBondContact OH-CG1 3.49Å
224	I	87.8	Confident	85.9	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.193	C	C	.	.			trans	-99.1	7.1	179.7	64.4	175.5	0	0	0	112.3	L209 H210 Y211 P212 T214 A222 H226 Q227 L228	L209-I224 HydrophobicContact CD1-CD1 3.83Å; L209-I224 HydrophobicContact CD2-CD1 3.82Å; L209-I224 HydrophobicContact CG-CD1 3.68Å; H210-I224 VanDerWaalsContact O-CD1 3.26Å; H210-I224 WeakPolarHBondContact O-CD1 3.23Å; Y211-I224 HydrophobicContact CD2-CG1 4.2Å; P212-I224 WeakPolarHBondContact O-CG1 3.39Å; P212-I224 PolarHBondContact O-N 3.35Å; T214-I224 HydrophobicContact CG2-CD1 3.96Å; T214-I224 HydrophobicContact CG2-CG1 4.45Å; T214-I224 HydrophobicContact CG2-CG2 3.81Å; A222-I224 PolarHBondContact O-N 3.01Å; I224-H226 PolarHBondContact O-N 3.35Å; I224-Q227 HydrophobicContact CB-CB 4.47Å; I224-Q227 PolarHBondContact O-N 3.42Å; I224-L228 HydrophobicContact CD1-CD1 3.74Å; I224-L228 HydrophobicContact CG1-CD1 4.42Å; I224-L228 PolarHBondContact O-N 2.77Å
225	G	86.1	Confident	85.1	Confident	3 Å²	3	35.9 Å²	35.9	3%	0.031	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-33.5	-178.5	0	0	0	0	0	114.5	Y211 P212 Y223	Y211-G225 PolarHBondContact OH-O 3.21Å; P212-G225 PolarHBondContact O-N 2.97Å; Y223-G225 VanDerWaalsContact CZ-CA 3.49Å
226	H	84.6	Confident	84.1	Confident	16 Å²	16	36.4 Å²	36.4	7%	0.074	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-12.5	176.5	71.5	-82.5	0	0	0	113.6	S115 Y223 I224 F596	S115-H226 PolarHBondContact OG-CD2 3.33Å; Y223-H226 AromaticContact CD1-ND1 3.4Å; Y223-H226 WeakPolarHBondContact CD1-ND1 3.28Å; Y223-H226 HydrophobicContact CE1-CB 4.11Å; Y223-H226 AromaticContact CE1-ND1 3.49Å; Y223-H226 WeakPolarHBondContact CE1-ND1 3.46Å; Y223-H226 PolarHBondContact O-CE1 3.32Å; Y223-H226 VanDerWaalsContact O-CE1 3.31Å; Y223-H226 PolarHBondContact O-ND1 3.37Å; I224-H226 PolarHBondContact O-N 3.35Å; H226-F596 WeakPolarHBondContact O-CD1 3.27Å
227	Q	90.4	Very high	83.2	Confident	5 Å²	5	40.2 Å²	40.2	2%	0.023	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-28	-178.5	-72.7	166.5	-9.5	0	0	112	D187 I189 I224 V258 Q259	D187-Q227 VanDerWaalsContact CB-NE2 3.27Å; D187-Q227 VanDerWaalsContact CG-NE2 3.28Å; D187-Q227 PolarHBondContact OD1-NE2 3.34Å; I189-Q227 HydrophobicContact CB-CB 4.06Å; I189-Q227 HydrophobicContact CB-CG 4.46Å; I189-Q227 HydrophobicContact CG2-CB 4.02Å; I189-Q227 HydrophobicContact CG2-CG 4.16Å; I224-Q227 HydrophobicContact CB-CB 4.47Å; I224-Q227 PolarHBondContact O-N 3.42Å; Q227-V258 CarbonylContact O-C 3.59Å; Q227-V258 WeakPolarHBondContact O-CA 3.45Å; Q227-V258 WeakPolarHBondContact O-CG2 3.5Å; Q227-Q259 PolarHBondContact O-N 3.09Å
228	L	91.9	Very high	82.5	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.4	178.7	-96.3	151.5	0	0	0	112.3	V135 I189 L209 Y211 I224 V231 A255 F596	V135-L228 HydrophobicContact CG2-CD2 4.33Å; I189-L228 HydrophobicContact CD1-CD1 3.45Å; I189-L228 VanDerWaalsContact CD1-CD1 3.45Å; I189-L228 HydrophobicContact CD1-CG 4.26Å; I189-L228 HydrophobicContact CG1-CD1 4.25Å; L209-L228 HydrophobicContact CD2-CD1 3.42Å; L209-L228 VanDerWaalsContact CD2-CD1 3.42Å; Y211-L228 HydrophobicContact CD2-CB 4.42Å; Y211-L228 HydrophobicContact CE2-CB 4.17Å; Y211-L228 PolarHBondContact OH-O 3.33Å; I224-L228 HydrophobicContact CD1-CD1 3.74Å; I224-L228 HydrophobicContact CG1-CD1 4.42Å; I224-L228 PolarHBondContact O-N 2.77Å; L228-V231 HydrophobicContact CB-CG2 4Å; L228-A255 HydrophobicContact CD2-CB 3.19Å; L228-F596 VanDerWaalsContact C-CE1 3.48Å
229	G	90.6	Very high	81.8	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	151.6	-175	0	0	0	0	0	113.6	V231 K256 A257 Y595	G229-V231 VanDerWaalsContact C-N 3.3Å; G229-V231 PolarHBondContact O-N 3.13Å; G229-K256 PolarHBondContact O-N 2.91Å; G229-A257 PolarHBondContact N-O 3.19Å; G229-A257 PolarHBondContact O-N 3.04Å; G229-Y595 CarbonylContact C-O 3.54Å; G229-Y595 WeakPolarHBondContact CA-O 3.06Å
230	G	87.6	Confident	81.2	Confident	25 Å²	25	37.6 Å²	37.6	26%	0.258	24%	0.236	S	C	.	.	S	Bend	trans	58.5	42.2	-176.9	0	0	0	0	0	112.8	K256 Y595	G230-K256 PolarHBondContact O-N 3.33Å; G230-Y595 PolarHBondContact N-O 3.24Å
231	V	89.9	Confident	80.3	Confident	28 Å²	28	40.1 Å²	40.1	17%	0.17	25%	0.246	C	C	.	.			trans	-72.7	133.3	-175.4	-178.6	0	0	0	0	110.4	Y211 L228 G229 V240 V252 A255	Y211-V231 HydrophobicContact CD1-CB 4.23Å; Y211-V231 HydrophobicContact CD1-CG1 4Å; Y211-V231 HydrophobicContact CD1-CG2 4.36Å; Y211-V231 HydrophobicContact CD2-CG1 4.43Å; Y211-V231 HydrophobicContact CD2-CG2 3.93Å; Y211-V231 HydrophobicContact CE1-CB 4.09Å; Y211-V231 HydrophobicContact CE1-CG1 4.38Å; Y211-V231 HydrophobicContact CE1-CG2 4.09Å; Y211-V231 HydrophobicContact CE2-CG2 3.69Å; Y211-V231 HydrophobicContact CG-CB 4.47Å; Y211-V231 HydrophobicContact CG-CG1 4.02Å; Y211-V231 HydrophobicContact CG-CG2 4.29Å; L228-V231 HydrophobicContact CB-CG2 4Å; G229-V231 VanDerWaalsContact C-N 3.3Å; G229-V231 PolarHBondContact O-N 3.13Å; V231-V240 HydrophobicContact CG1-CG2 3.86Å; V231-V252 HydrophobicContact CG1-CB 4.34Å; V231-V252 HydrophobicContact CG1-CG1 3.84Å; V231-V252 HydrophobicContact CG1-CG2 3.73Å; V231-A255 HydrophobicContact CG2-CB 4.31Å
232	Q	87.3	Confident	79.1	Confident	83 Å²	83	40.2 Å²	40.2	39%	0.388	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.4	171.6	-60	-177.5	-8.9	0	0	109	G238 R253 S254	Q232-G238 WeakPolarHBondContact CA-O 3.27Å; Q232-R253 WeakPolarHBondContact O-CA 3.15Å; Q232-R253 WeakPolarHBondContact O-CB 3.49Å; Q232-R253 PolarHBondContact O-N 2.96Å; Q232-S254 PolarHBondContact N-O 2.78Å; Q232-S254 PolarHBondContact O-N 2.86Å; Q232-S254 VanDerWaalsContact O-N 3.1Å; Q232-S254 PolarHBondContact OE1-OG 2.84Å
233	G	84	Confident	77.9	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-171.5	171.3	0	0	0	0	0	112.9	G238 A239	G233-G238 PolarHBondContact N-O 3.39Å; G233-A239 CarbonylContact C-O 3.55Å; G233-A239 WeakPolarHBondContact CA-O 3.32Å
234	W	78.9	Confident	76.4	Confident	136 Å²	136	48.3 Å²	48.3	52%	0.515	31%	0.31	S	S	.	.	S	Bend	trans	-90.5	-2.2	179	-61.1	89.5	0	0	0	114	G249 R253	W234-G249 VanDerWaalsContact CB-O 3.23Å; W234-G249 WeakPolarHBondContact CB-O 3.48Å; W234-G249 VanDerWaalsContact CD1-O 3.26Å; W234-R253 HydrophobicContact CD2-CB 4.02Å; W234-R253 HydrophobicContact CD2-CG 4.06Å; W234-R253 HydrophobicContact CE3-CG 4.35Å; W234-R253 HydrophobicContact CG-CB 4.16Å; W234-R253 HydrophobicContact CH2-CG 4.18Å; W234-R253 HydrophobicContact CZ2-CB 4.21Å; W234-R253 HydrophobicContact CZ2-CG 3.87Å; W234-R253 HydrophobicContact CZ3-CG 4.41Å
235	G	72.1	Confident	74.7	Confident	9 Å²	9	51.9 Å²	51.9	9%	0.093	33%	0.332	C	S	.	.	S	Bend	trans	-74.7	168.4	178.3	0	0	0	0	0	114	G237 G238 A239	G235-G237 PolarHBondContact O-N 2.83Å; G235-G238 PolarHBondContact O-N 2.7Å; G235-A239 WeakPolarHBondContact CA-O 3.36Å; G235-A239 PolarHBondContact N-O 2.99Å
236	P	64.9	Low	73	Confident	116 Å²	116	55.4 Å²	55.4	75%	0.753	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-56.4	138.4	174.3	-13.9	25.2	0	0	0	110.6	G238 A239	P236-G238 PolarHBondContact O-N 3.26Å; P236-A239 PolarHBondContact O-N 3.33Å
237	G	66.1	Low	71.3	Confident	95 Å²	95	56.6 Å²	56.6	98%	0.979	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	67.5	10.8	-175.7	0	0	0	0	0	114.9	G235	G235-G237 PolarHBondContact O-N 2.83Å
238	G	67.1	Low	69.4	Low	26 Å²	26	66.3 Å²	66.3	27%	0.268	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	81.5	16.4	-178.8	0	0	0	0	0	114.2	Q232 G233 G235 P236	Q232-G238 WeakPolarHBondContact CA-O 3.27Å; G233-G238 PolarHBondContact N-O 3.39Å; G235-G238 PolarHBondContact O-N 2.7Å; P236-G238 PolarHBondContact O-N 3.26Å
239	A	66.8	Low	67.8	Low	56 Å²	56	67.4 Å²	67.4	46%	0.463	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-65.6	141.2	176.3	0	0	0	0	0	111.9	G233 G235 P236	G233-A239 CarbonylContact C-O 3.55Å; G233-A239 WeakPolarHBondContact CA-O 3.32Å; G235-A239 WeakPolarHBondContact CA-O 3.36Å; G235-A239 PolarHBondContact N-O 2.99Å; P236-A239 PolarHBondContact O-N 3.33Å
240	V	67.8	Low	66.7	Low	43 Å²	43	69.7 Å²	69.7	26%	0.261	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-77.5	122.1	170.1	-176.5	0	0	0	0	108.2	Y211 V231	Y211-V240 HydrophobicContact CD1-CG2 4.35Å; V231-V240 HydrophobicContact CG1-CG2 3.86Å
241	R	65.9	Low	66.2	Low	90 Å²	90	68.6 Å²	68.6	34%	0.34	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-71.9	140	177.1	-74.6	-177.8	173.6	161.5	-1.7	110.1	K248	R241-K248 PolarHBondContact NH1-O 3.36Å
242	P	60.9	Low	66.1	Low	95 Å²	95	68.2 Å²	68.2	62%	0.617	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-60.1	153.7	175.5	-18.5	30.3	0	0	0	112
243	Q	59.5	Low	66	Low	115 Å²	115	71.4 Å²	71.4	54%	0.537	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	137.4	175.4	-163.3	171.8	19	0	0	110.3
244	G	54.4	Low	66.3	Low	70 Å²	70	72.6 Å²	72.6	72%	0.722	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.2	14.7	172.9	0	0	0	0	0	116.1
245	T	52.4	Low	66.9	Low	76 Å²	76	66.1 Å²	66.1	47%	0.466	42%	0.424	S	S	.	.			trans	-85.9	-10.3	176.1	59.1	0	0	0	0	113.5	A247 E250	T245-A247 PolarHBondContact O-N 2.89Å; T245-A247 VanDerWaalsContact O-N 3.07Å; T245-E250 WeakPolarHBondContact CA-OE1 3.42Å; T245-E250 PolarHBondContact N-OE1 2.86Å; T245-E250 PolarHBondContact OG1-OE1 3.05Å
246	G	49.9	Very low	68	Low	77 Å²	77	70.3 Å²	70.3	79%	0.794	44%	0.439	S	S	*	.			trans	67.3	7.5	174.6	0	0	0	0	0	114.5	E250	G246-E250 PolarHBondContact N-OE1 2.74Å
247	A	49	Very low	69.4	Low	42 Å²	42	64.8 Å²	64.8	35%	0.347	40%	0.404	S	S	.	.			trans	-90.8	141.9	-176.5	0	0	0	0	0	111.7	T245 G249	T245-A247 PolarHBondContact O-N 2.89Å; T245-A247 VanDerWaalsContact O-N 3.07Å; A247-G249 PolarHBondContact O-N 2.68Å
248	K	49.8	Very low	70.8	Confident	209 Å²	209	60.3 Å²	60.3	91%	0.909	36%	0.357	S	S	*	.	S	Bend	trans	-51.9	127.1	170.4	-82.4	-177.9	175.2	177.5	0	110.3	R241	R241-K248 PolarHBondContact NH1-O 3.36Å
249	G	59.7	Low	72	Confident	24 Å²	24	59.2 Å²	59.2	25%	0.247	35%	0.345	C	S	.	.			trans	97.2	41.3	-178.9	0	0	0	0	0	114.9	W234 A247	W234-G249 VanDerWaalsContact CB-O 3.23Å; W234-G249 WeakPolarHBondContact CB-O 3.48Å; W234-G249 VanDerWaalsContact CD1-O 3.26Å; A247-G249 PolarHBondContact O-N 2.68Å
250	E	65.9	Low	73.3	Confident	48 Å²	48	56.6 Å²	56.6	22%	0.224	32%	0.323	C	S	.	.			trans	-78	147.3	165.9	-69.4	-170.7	168.1	0	0	110.8	V208 T245 G246	V208-E250 VanDerWaalsContact CG1-O 3.28Å; V208-E250 WeakPolarHBondContact CG1-O 3.22Å; T245-E250 WeakPolarHBondContact CA-OE1 3.42Å; T245-E250 PolarHBondContact N-OE1 2.86Å; T245-E250 PolarHBondContact OG1-OE1 3.05Å; G246-E250 PolarHBondContact N-OE1 2.74Å
251	G	78.1	Confident	74.4	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.01	31%	0.311	C	S	.	.	S	Bend	trans	91.8	-168.2	176.8	0	0	0	0	0	116.2	L209	L209-G251 CarbonylContact O-C 3.57Å; L209-G251 VanDerWaalsContact O-CA 3.22Å; L209-G251 WeakPolarHBondContact O-CA 3.26Å
252	V	86.7	Confident	75.6	Confident	20 Å²	20	50.4 Å²	50.4	12%	0.121	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	123.5	-175.9	176.4	0	0	0	0	110.5	L136 L209 Y211 V231	L136-V252 HydrophobicContact CD1-CG1 3.85Å; L209-V252 HydrophobicContact CB-CB 4.45Å; L209-V252 HydrophobicContact CD2-CG2 4.38Å; L209-V252 WeakPolarHBondContact O-CG2 3.42Å; L209-V252 PolarHBondContact O-N 3.24Å; Y211-V252 HydrophobicContact CG-CG2 4.49Å; V231-V252 HydrophobicContact CG1-CB 4.34Å; V231-V252 HydrophobicContact CG1-CG1 3.84Å; V231-V252 HydrophobicContact CG1-CG2 3.73Å
253	R	85.8	Confident	76.9	Confident	151 Å²	151	45.9 Å²	45.9	57%	0.57	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	-47.2	173.2	-180	-178.2	174.4	-170.1	0.4	111.5	Q232 W234	Q232-R253 WeakPolarHBondContact O-CA 3.15Å; Q232-R253 WeakPolarHBondContact O-CB 3.49Å; Q232-R253 PolarHBondContact O-N 2.96Å; W234-R253 HydrophobicContact CD2-CB 4.02Å; W234-R253 HydrophobicContact CD2-CG 4.06Å; W234-R253 HydrophobicContact CE3-CG 4.35Å; W234-R253 HydrophobicContact CG-CB 4.16Å; W234-R253 HydrophobicContact CH2-CG 4.18Å; W234-R253 HydrophobicContact CZ2-CB 4.21Å; W234-R253 HydrophobicContact CZ2-CG 3.87Å; W234-R253 HydrophobicContact CZ3-CG 4.41Å
254	S	89.8	Confident	78.2	Confident	25 Å²	25	40.4 Å²	40.4	18%	0.175	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	157.4	179.5	70.3	0	0	0	0	111.1	S134 Q232	S134-S254 WeakPolarHBondContact OG-CA 3.36Å; Q232-S254 PolarHBondContact N-O 2.78Å; Q232-S254 PolarHBondContact O-N 2.86Å; Q232-S254 VanDerWaalsContact O-N 3.1Å; Q232-S254 PolarHBondContact OE1-OG 2.84Å
255	A	92.8	Very high	79.6	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.212	C	C	.	.			trans	-140.6	145.9	173.1	0	0	0	0	0	110.3	S134 V135 L228 V231	S134-A255 CarbonylContact C-O 3.58Å; S134-A255 VanDerWaalsContact CA-O 3.27Å; S134-A255 WeakPolarHBondContact CA-O 3.27Å; S134-A255 PolarHBondContact OG-N 3.41Å; S134-A255 PolarHBondContact OG-O 3.45Å; V135-A255 HydrophobicContact CG2-CB 3.96Å; V135-A255 WeakPolarHBondContact CG2-O 3.23Å; V135-A255 PolarHBondContact N-O 2.98Å; L228-A255 HydrophobicContact CD2-CB 3.19Å; V231-A255 HydrophobicContact CG2-CB 4.31Å
256	K	93.8	Very high	80.6	Confident	98 Å²	98	36.8 Å²	36.8	43%	0.426	20%	0.204	S	C	.	.	S	Bend	trans	-93.9	-22.7	-176.7	-68.1	-152.8	176.7	-173	0	114	T129 A130 V135 G229 G230 Y595	T129-K256 WeakPolarHBondContact CA-O 3.2Å; A130-K256 PolarHBondContact N-O 2.98Å; V135-K256 WeakPolarHBondContact CG1-O 3.27Å; G229-K256 PolarHBondContact O-N 2.91Å; G230-K256 PolarHBondContact O-N 3.33Å; K256-Y595 HydrophobicContact CB-CD1 4.14Å; K256-Y595 HydrophobicContact CB-CE1 3.98Å
257	A	95	Very high	81.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	148.4	-176.8	0	0	0	0	0	111.8	I127 I128 T129 G229 Y595 F596	I127-A257 HydrophobicContact CG2-CB 4.4Å; I128-A257 CarbonylContact O-C 3.49Å; I128-A257 VanDerWaalsContact O-CA 3.23Å; I128-A257 WeakPolarHBondContact O-CA 3.49Å; T129-A257 HydrophobicContact CG2-CB 3.93Å; G229-A257 PolarHBondContact N-O 3.19Å; G229-A257 PolarHBondContact O-N 3.04Å; A257-Y595 HydrophobicContact CB-CD1 4.12Å; A257-Y595 HydrophobicContact CB-CD2 4.19Å; A257-Y595 HydrophobicContact CB-CG 3.77Å; A257-F596 HydrophobicContact CB-CE2 3.89Å; A257-F596 HydrophobicContact CB-CZ 3.82Å
258	V	95.1	Very high	83.3	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	139.4	166.5	64.3	0	0	0	0	109.6	I127 I128 V135 I144 I189 M193 Q227 L260	I127-V258 WeakPolarHBondContact CA-O 3.3Å; I128-V258 HydrophobicContact CB-CG1 3.85Å; I128-V258 HydrophobicContact CD1-CG1 4.23Å; I128-V258 HydrophobicContact CG1-CG1 4.37Å; I128-V258 PolarHBondContact N-O 2.88Å; I128-V258 PolarHBondContact O-N 3.01Å; V135-V258 HydrophobicContact CG2-CB 4.37Å; I144-V258 HydrophobicContact CD1-CG1 3.99Å; I144-V258 HydrophobicContact CG2-CG1 4.49Å; I189-V258 HydrophobicContact CG1-CG2 4.11Å; I189-V258 HydrophobicContact CG2-CG2 4.25Å; M193-V258 HydrophobicContact SD-CG2 4.32Å; Q227-V258 CarbonylContact O-C 3.59Å; Q227-V258 WeakPolarHBondContact O-CA 3.45Å; Q227-V258 WeakPolarHBondContact O-CG2 3.5Å; V258-L260 HydrophobicContact CG2-CD2 4.11Å
259	Q	93.4	Very high	84.9	Confident	3 Å²	3	34.6 Å²	34.6	1%	0.014	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.5	175.7	-177.4	177	-64.3	0	0	109.1	V126 I127 Q227 Y588 F596	V126-Q259 WeakPolarHBondContact O-CA 3.28Å; I127-Q259 HydrophobicContact CG1-CB 4.18Å; I127-Q259 HydrophobicContact CG1-CG 4.03Å; Q227-Q259 PolarHBondContact O-N 3.09Å; Q259-Y588 PolarHBondContact OE1-OH 3.33Å; Q259-F596 HydrophobicContact CB-CE1 3.92Å; Q259-F596 HydrophobicContact CB-CE2 4.39Å; Q259-F596 HydrophobicContact CB-CZ 3.7Å
260	L	93.1	Very high	86.1	Confident	1 Å²	1	36 Å²	36	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139	177	-55	178.9	0	0	0	110.5	R125 V126 I128 I144 D187 I189 I190 V258 Y262	R125-L260 CarbonylContact C-O 3.46Å; R125-L260 VanDerWaalsContact CA-O 3.31Å; R125-L260 WeakPolarHBondContact CA-O 3.42Å; V126-L260 HydrophobicContact CG1-CB 3.9Å; V126-L260 PolarHBondContact N-O 2.8Å; V126-L260 PolarHBondContact O-N 3.22Å; I128-L260 HydrophobicContact CD1-CD1 3.95Å; I144-L260 HydrophobicContact CG2-CD1 4.22Å; D187-L260 WeakPolarHBondContact OD2-CA 3.16Å; I189-L260 HydrophobicContact CG2-CD2 3.69Å; I190-L260 HydrophobicContact CD1-CD1 4.16Å; I190-L260 HydrophobicContact CD1-CD2 3.86Å; I190-L260 HydrophobicContact CG1-CD2 3.69Å; V258-L260 HydrophobicContact CG2-CD2 4.11Å; L260-Y262 HydrophobicContact CB-CE2 4.14Å
261	T	90.9	Very high	86.9	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	132.3	-176.6	-48	0	0	0	0	110.2	R125 D187 Y263	R125-T261 HydrophobicContact CG-CG2 3.8Å; D187-T261 WeakPolarHBondContact OD2-CB 3.33Å; D187-T261 PolarHBondContact OD2-N 3.45Å; D187-T261 PolarHBondContact OD2-OG1 2.96Å; T261-Y263 HydrophobicContact CG2-CD1 4.19Å; T261-Y263 HydrophobicContact CG2-CD2 4.4Å; T261-Y263 HydrophobicContact CG2-CE1 3.74Å; T261-Y263 HydrophobicContact CG2-CE2 3.92Å
262	Y	90.9	Very high	87.3	Confident	1 Å²	1	37.5 Å²	37.5	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	108.7	178.1	-61.6	-88.2	0	0	0	108.5	Y123 G124 V126 H148 I151 F172 L260 W278 F282	Y123-Y262 CarbonylContact C-O 3.56Å; Y123-Y262 VanDerWaalsContact CA-O 3.23Å; Y123-Y262 WeakPolarHBondContact CA-O 3.32Å; Y123-Y262 WeakPolarHBondContact CB-O 3.35Å; G124-Y262 PolarHBondContact N-O 3Å; G124-Y262 PolarHBondContact O-N 3.3Å; V126-Y262 HydrophobicContact CG1-CE2 4.38Å; H148-Y262 AromaticContact CE1-CE1 3.92Å; H148-Y262 AromaticContact ND1-CE1 3.55Å; H148-Y262 AromaticContact ND1-CZ 3.72Å; H148-Y262 PolarHBondContact ND1-OH 2.87Å; I151-Y262 HydrophobicContact CB-CE1 4.37Å; I151-Y262 HydrophobicContact CD1-CE2 3.95Å; I151-Y262 HydrophobicContact CG2-CD1 3.98Å; I151-Y262 HydrophobicContact CG2-CD2 4.32Å; I151-Y262 HydrophobicContact CG2-CE1 3.76Å; I151-Y262 HydrophobicContact CG2-CE2 4.14Å; I151-Y262 HydrophobicContact CG2-CG 4.25Å; F172-Y262 HydrophobicContact CE1-CD1 4.24Å; F172-Y262 HydrophobicContact CE2-CD1 4.37Å; F172-Y262 AromaticContact CZ-CD1 3.89Å; F172-Y262 HydrophobicContact CZ-CD1 3.89Å; F172-Y262 HydrophobicContact CZ-CG 4.48Å; L260-Y262 HydrophobicContact CB-CE2 4.14Å; Y262-W278 HydrophobicContact CG-CH2 4.27Å; Y262-F282 AromaticContact CD2-CE2 3.86Å; Y262-F282 HydrophobicContact CD2-CE2 3.86Å; Y262-F282 HydrophobicContact CD2-CZ 4.28Å; Y262-F282 HydrophobicContact CE2-CE2 4.1Å
263	Y	88.3	Confident	87.3	Confident	1 Å²	1	43.9 Å²	43.9	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	136.2	-178.7	-60.9	-75.8	0	0	0	111.3	L113 S115 P120 C176 L177 T261	L113-Y263 HydrophobicContact CB-CE2 3.98Å; L113-Y263 HydrophobicContact CD1-CD2 3.97Å; L113-Y263 HydrophobicContact CD1-CE2 4.03Å; L113-Y263 HydrophobicContact CD1-CG 4.23Å; S115-Y263 VanDerWaalsContact CA-OH 3.28Å; S115-Y263 WeakPolarHBondContact CA-OH 3.32Å; S115-Y263 PolarHBondContact N-OH 3.49Å; P120-Y263 HydrophobicContact CG-CD1 3.67Å; P120-Y263 HydrophobicContact CG-CG 4.13Å; C176-Y263 WeakPolarHBondContact CA-O 3.42Å; L177-Y263 PolarHBondContact N-O 2.98Å; T261-Y263 HydrophobicContact CG2-CD1 4.19Å; T261-Y263 HydrophobicContact CG2-CD2 4.4Å; T261-Y263 HydrophobicContact CG2-CE1 3.74Å; T261-Y263 HydrophobicContact CG2-CE2 3.92Å
264	L	87.8	Confident	87.5	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	143.6	-179.5	-56.1	165.6	0	0	0	110.3	R122 F172 L175 A275 W278 E279	R122-L264 HydrophobicContact CB-CB 4Å; R122-L264 HydrophobicContact CB-CD1 4.04Å; R122-L264 WeakPolarHBondContact O-CB 3.16Å; R122-L264 PolarHBondContact O-N 2.89Å; F172-L264 HydrophobicContact CD2-CD2 3.94Å; F172-L264 HydrophobicContact CE2-CD2 3.73Å; L175-L264 HydrophobicContact CB-CD2 4.01Å; L175-L264 CarbonylContact O-C 3.48Å; L175-L264 WeakPolarHBondContact O-CA 3.44Å; L264-A275 HydrophobicContact CB-CB 4.33Å; L264-A275 HydrophobicContact CD1-CB 4.17Å; L264-W278 HydrophobicContact CD1-CD2 4.23Å; L264-W278 HydrophobicContact CD1-CE3 3.5Å; L264-W278 HydrophobicContact CD1-CZ3 3.9Å; L264-W278 HydrophobicContact CD2-CD2 4.01Å; L264-W278 HydrophobicContact CD2-CE3 3.96Å; L264-W278 HydrophobicContact CD2-CZ3 4.23Å; L264-W278 HydrophobicContact CG-CE3 4.25Å; L264-W278 HydrophobicContact CG-CZ3 4.39Å; L264-E279 HydrophobicContact CD1-CG 4.25Å
265	Q	83.6	Confident	87.5	Confident	27 Å²	27	35.6 Å²	35.6	13%	0.126	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	130.1	177.1	-177.7	170.3	90.8	0	0	111.1	L175 R267	L175-Q265 PolarHBondContact O-N 3.06Å; Q265-R267 VanDerWaalsContact CD-CD 3.43Å; Q265-R267 VanDerWaalsContact CD-NE 3.27Å; Q265-R267 HydrophobicContact CG-CB 4.32Å; Q265-R267 HydrophobicContact CG-CG 3.64Å; Q265-R267 VanDerWaalsContact NE2-NH2 3.2Å
266	S	74.1	Confident	87.3	Confident	43 Å²	43	36.1 Å²	36.1	30%	0.301	19%	0.185	S	C	.	.			trans	-122	62.5	175.4	-165.9	0	0	0	0	111.9	D272	S266-D272 WeakPolarHBondContact OG-CA 3.43Å; S266-D272 WeakPolarHBondContact OG-CB 3.37Å; S266-D272 VanDerWaalsContact OG-CG 3.32Å; S266-D272 PolarHBondContact OG-OD1 2.84Å
267	R	73.8	Confident	87.1	Confident	175 Å²	175	35.9 Å²	35.9	66%	0.66	18%	0.181	S	C	*	.			trans	-78.1	-31	-177.8	-78.3	179.8	-177.5	175.1	5	114.3	Q265	Q265-R267 VanDerWaalsContact CD-CD 3.43Å; Q265-R267 VanDerWaalsContact CD-NE 3.27Å; Q265-R267 HydrophobicContact CG-CB 4.32Å; Q265-R267 HydrophobicContact CG-CG 3.64Å; Q265-R267 VanDerWaalsContact NE2-NH2 3.2Å
268	S	82	Confident	87	Confident	55 Å²	55	35.9 Å²	35.9	39%	0.385	18%	0.181	S	C	.	.	S	Bend	trans	-132.9	155.8	-175.9	76.6	0	0	0	0	111.6	L270 M271 D272	S268-L270 PolarHBondContact O-N 2.94Å; S268-L270 VanDerWaalsContact O-N 3.11Å; S268-M271 PolarHBondContact O-N 2.96Å; S268-M271 WeakPolarHBondContact OG-CG 3.48Å; S268-M271 PolarHBondContact OG-N 3.19Å; S268-D272 PolarHBondContact O-N 2.89Å
269	G	82.1	Confident	86.9	Confident	52 Å²	52	35.9 Å²	35.9	54%	0.536	18%	0.181	S	C	.	.	H	α-helix	trans	-62.9	-17.6	178.3	0	0	0	0	0	114.5	R273	G269-R273 WeakPolarHBondContact O-CG 3.42Å; G269-R273 PolarHBondContact O-NE 3.33Å
270	L	84.3	Confident	86.8	Confident	53 Å²	53	43 Å²	43	28%	0.277	21%	0.212	S	C	.	.	H	α-helix	trans	-75.5	-53.6	167.4	179.1	67.6	0	0	0	110	S268 D272 R273 V274	S268-L270 PolarHBondContact O-N 2.94Å; S268-L270 VanDerWaalsContact O-N 3.11Å; L270-D272 VanDerWaalsContact C-N 3.27Å; L270-D272 PolarHBondContact O-N 3.13Å; L270-R273 WeakPolarHBondContact O-CA 3.39Å; L270-R273 WeakPolarHBondContact O-CB 2.99Å; L270-R273 PolarHBondContact O-N 3.48Å; L270-V274 HydrophobicContact CG-CG2 4.41Å; L270-V274 WeakPolarHBondContact O-CG2 3.4Å; L270-V274 PolarHBondContact O-N 2.9Å
271	M	84.3	Confident	86.8	Confident	29 Å²	29	44.4 Å²	44.4	14%	0.143	22%	0.224	C	C	.	.	H	α-helix	trans	-59.2	-37.3	-178.7	-68	-63.3	-77.2	0	0	112.2	Y170 L175 S268 R273 V274 A275	Y170-M271 HydrophobicContact CE1-SD 4.32Å; L175-M271 HydrophobicContact CD2-CE 3.68Å; L175-M271 HydrophobicContact CD2-SD 4.38Å; S268-M271 PolarHBondContact O-N 2.96Å; S268-M271 WeakPolarHBondContact OG-CG 3.48Å; S268-M271 PolarHBondContact OG-N 3.19Å; M271-R273 VanDerWaalsContact C-N 3.32Å; M271-R273 PolarHBondContact O-N 2.74Å; M271-V274 PolarHBondContact O-N 3.46Å; M271-A275 VanDerWaalsContact O-CB 3.29Å; M271-A275 WeakPolarHBondContact O-CB 3.49Å; M271-A275 PolarHBondContact O-N 2.9Å
272	D	86.7	Confident	87	Confident	51 Å²	51	44.3 Å²	44.3	27%	0.273	22%	0.223	S	C	.	.	H	α-helix	trans	-59.6	-42.5	173.9	-169	66.2	0	0	0	112.2	R122 S266 S268 L270 G276	R122-D272 VanDerWaalsContact CZ-O 3.31Å; R122-D272 IonicContact CZ-OD1 3.28Å; R122-D272 IonicContact CZ-OD2 2.7Å; R122-D272 PolarHBondContact NE-O 3.32Å; R122-D272 IonicContact NE-OD1 3.1Å; R122-D272 PolarHBondContact NE-OD1 3.37Å; R122-D272 IonicContact NE-OD2 3.58Å; R122-D272 PolarHBondContact NH2-O 3.48Å; R122-D272 IonicContact NH2-OD1 3.35Å; R122-D272 PolarHBondContact NH2-OD1 3.33Å; R122-D272 IonicContact NH2-OD2 3.31Å; R122-D272 PolarHBondContact NH2-OD2 3.18Å; S266-D272 WeakPolarHBondContact OG-CA 3.43Å; S266-D272 WeakPolarHBondContact OG-CB 3.37Å; S266-D272 VanDerWaalsContact OG-CG 3.32Å; S266-D272 PolarHBondContact OG-OD1 2.84Å; S268-D272 PolarHBondContact O-N 2.89Å; L270-D272 VanDerWaalsContact C-N 3.27Å; L270-D272 PolarHBondContact O-N 3.13Å; D272-G276 PolarHBondContact O-N 3.46Å
273	R	86.3	Confident	87.1	Confident	154 Å²	154	45.6 Å²	45.6	58%	0.581	23%	0.232	S	C	*	.	H	α-helix	trans	-67.7	-39.6	176.7	-76.3	-176.3	-92.4	176.5	-9	111.8	G269 L270 M271 G276 R277	G269-R273 WeakPolarHBondContact O-CG 3.42Å; G269-R273 PolarHBondContact O-NE 3.33Å; L270-R273 WeakPolarHBondContact O-CA 3.39Å; L270-R273 WeakPolarHBondContact O-CB 2.99Å; L270-R273 PolarHBondContact O-N 3.48Å; M271-R273 VanDerWaalsContact C-N 3.32Å; M271-R273 PolarHBondContact O-N 2.74Å; R273-G276 PolarHBondContact O-N 3.46Å; R273-R277 PolarHBondContact O-N 3.44Å; R273-R277 VanDerWaalsContact O-N 3.14Å
274	V	89.1	Confident	87.4	Confident	2 Å²	2	48 Å²	48	1%	0.012	25%	0.252	C	S	.	.	H	α-helix	trans	-66	-47.5	176.4	-174.3	0	0	0	0	110.6	V158 Y170 L175 L270 M271 G276 R277 W278	V158-V274 HydrophobicContact CG2-CB 4.44Å; V158-V274 HydrophobicContact CG2-CG1 4.11Å; V158-V274 HydrophobicContact CG2-CG2 3.62Å; Y170-V274 HydrophobicContact CD2-CG1 3.81Å; Y170-V274 HydrophobicContact CD2-CG2 4.28Å; Y170-V274 HydrophobicContact CE2-CG2 4.18Å; Y170-V274 HydrophobicContact CG-CG1 3.83Å; L175-V274 HydrophobicContact CD1-CG1 4.14Å; L175-V274 HydrophobicContact CD2-CB 4.18Å; L175-V274 HydrophobicContact CD2-CG1 3.75Å; L270-V274 HydrophobicContact CG-CG2 4.41Å; L270-V274 WeakPolarHBondContact O-CG2 3.4Å; L270-V274 PolarHBondContact O-N 2.9Å; M271-V274 PolarHBondContact O-N 3.46Å; V274-G276 VanDerWaalsContact C-N 3.28Å; V274-G276 PolarHBondContact O-N 3.15Å; V274-R277 WeakPolarHBondContact O-CA 3.37Å; V274-R277 WeakPolarHBondContact O-CB 3.41Å; V274-R277 PolarHBondContact O-N 3.26Å; V274-W278 PolarHBondContact O-N 2.89Å
275	A	89.6	Confident	87.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.8	-39	175.6	0	0	0	0	0	111.7	R122 L264 M271 R277 W278 E279	R122-A275 HydrophobicContact CB-CB 4.37Å; R122-A275 VanDerWaalsContact CD-CB 3.43Å; L264-A275 HydrophobicContact CB-CB 4.33Å; L264-A275 HydrophobicContact CD1-CB 4.17Å; M271-A275 VanDerWaalsContact O-CB 3.29Å; M271-A275 WeakPolarHBondContact O-CB 3.49Å; M271-A275 PolarHBondContact O-N 2.9Å; A275-R277 VanDerWaalsContact C-N 3.31Å; A275-R277 PolarHBondContact O-N 3.33Å; A275-W278 WeakPolarHBondContact O-CB 3.47Å; A275-W278 PolarHBondContact O-N 3Å; A275-W278 VanDerWaalsContact O-N 3.16Å; A275-E279 WeakPolarHBondContact O-CG 3.36Å; A275-E279 PolarHBondContact O-N 3.38Å
276	G	89.7	Confident	88.1	Confident	12 Å²	12	48.9 Å²	48.9	12%	0.124	26%	0.256	C	S	.	.	H	α-helix	trans	-65.9	-28.3	173.1	0	0	0	0	0	115	D272 R273 V274	D272-G276 PolarHBondContact O-N 3.46Å; R273-G276 PolarHBondContact O-N 3.46Å; V274-G276 VanDerWaalsContact C-N 3.28Å; V274-G276 PolarHBondContact O-N 3.15Å
277	R	89.9	Confident	89	Confident	92 Å²	92	53.9 Å²	53.9	35%	0.347	27%	0.273	S	S	.	.	H	α-helix	trans	-75	-38.1	169.4	-72.4	-174.5	-178.4	160.5	4	111.6	V156 R273 V274 A275 E279 K280 A281	V156-R277 HydrophobicContact CG1-CB 3.63Å; R273-R277 PolarHBondContact O-N 3.44Å; R273-R277 VanDerWaalsContact O-N 3.14Å; V274-R277 WeakPolarHBondContact O-CA 3.37Å; V274-R277 WeakPolarHBondContact O-CB 3.41Å; V274-R277 PolarHBondContact O-N 3.26Å; A275-R277 VanDerWaalsContact C-N 3.31Å; A275-R277 PolarHBondContact O-N 3.33Å; R277-E279 VanDerWaalsContact C-N 3.35Å; R277-E279 PolarHBondContact O-N 3.37Å; R277-K280 PolarHBondContact O-N 2.84Å; R277-A281 PolarHBondContact O-N 2.99Å
278	W	92.9	Very high	89.9	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.1	-44.4	173.7	-172.3	97.1	0	0	0	111.6	I151 V156 F172 L175 Y262 L264 V274 A275 K280 A281 F282	I151-W278 HydrophobicContact CG2-CH2 4.18Å; I151-W278 HydrophobicContact CG2-CZ2 3.79Å; V156-W278 HydrophobicContact CG2-CB 3.89Å; V156-W278 HydrophobicContact CG2-CG 4.18Å; F172-W278 AromaticContact CD2-CE2 3.79Å; F172-W278 HydrophobicContact CD2-CH2 4.34Å; F172-W278 AromaticContact CD2-CZ2 3.56Å; F172-W278 HydrophobicContact CD2-CZ2 3.56Å; F172-W278 AromaticContact CD2-NE1 3.93Å; F172-W278 HydrophobicContact CE2-CH2 4.33Å; F172-W278 AromaticContact CE2-CZ2 3.98Å; F172-W278 HydrophobicContact CE2-CZ2 3.98Å; F172-W278 HydrophobicContact CG-CZ2 4.38Å; L175-W278 HydrophobicContact CD1-CB 3.99Å; L175-W278 HydrophobicContact CD1-CG 4.02Å; Y262-W278 HydrophobicContact CG-CH2 4.27Å; L264-W278 HydrophobicContact CD1-CD2 4.23Å; L264-W278 HydrophobicContact CD1-CE3 3.5Å; L264-W278 HydrophobicContact CD1-CZ3 3.9Å; L264-W278 HydrophobicContact CD2-CD2 4.01Å; L264-W278 HydrophobicContact CD2-CE3 3.96Å; L264-W278 HydrophobicContact CD2-CZ3 4.23Å; L264-W278 HydrophobicContact CG-CE3 4.25Å; L264-W278 HydrophobicContact CG-CZ3 4.39Å; V274-W278 PolarHBondContact O-N 2.89Å; A275-W278 WeakPolarHBondContact O-CB 3.47Å; A275-W278 PolarHBondContact O-N 3Å; A275-W278 VanDerWaalsContact O-N 3.16Å; W278-K280 VanDerWaalsContact C-N 3.27Å; W278-K280 PolarHBondContact O-N 2.92Å; W278-A281 PolarHBondContact O-N 3.2Å; W278-A281 VanDerWaalsContact O-N 3.12Å; W278-F282 HydrophobicContact CD2-CB 4.46Å; W278-F282 HydrophobicContact CE3-CB 3.98Å; W278-F282 HydrophobicContact CH2-CB 4.09Å; W278-F282 AromaticContact CH2-CD2 3.54Å; W278-F282 HydrophobicContact CH2-CD2 3.54Å; W278-F282 HydrophobicContact CH2-CE2 4.14Å; W278-F282 AromaticContact CH2-CG 3.95Å; W278-F282 HydrophobicContact CH2-CG 3.95Å; W278-F282 HydrophobicContact CZ2-CD2 4.19Å; W278-F282 HydrophobicContact CZ3-CB 3.79Å; W278-F282 AromaticContact CZ3-CD2 3.94Å; W278-F282 HydrophobicContact CZ3-CD2 3.94Å; W278-F282 AromaticContact CZ3-CG 3.84Å; W278-F282 HydrophobicContact CZ3-CG 3.84Å; W278-F282 VanDerWaalsContact O-CB 3.29Å; W278-F282 WeakPolarHBondContact O-CB 3.35Å; W278-F282 PolarHBondContact O-N 3.49Å
279	E	92.6	Very high	90.5	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-56.2	-40.3	175.4	-73.9	177.8	-136.3	0	0	112.6	R122 L264 A275 R277 C283 T302 S303 S304	R122-E279 WeakPolarHBondContact CB-OE1 3.24Å; R122-E279 VanDerWaalsContact CD-OE1 3.24Å; R122-E279 WeakPolarHBondContact CD-OE1 3.2Å; R122-E279 VanDerWaalsContact CG-OE1 3.29Å; R122-E279 WeakPolarHBondContact CG-OE1 3.38Å; R122-E279 IonicContact CZ-OE1 3.82Å; R122-E279 IonicContact NE-OE1 2.97Å; R122-E279 IonicContact NH1-OE1 3.74Å; R122-E279 PolarHBondContact NH1-OE1 3.08Å; R122-E279 IonicContact NH1-OE2 3.67Å; L264-E279 HydrophobicContact CD1-CG 4.25Å; A275-E279 WeakPolarHBondContact O-CG 3.36Å; A275-E279 PolarHBondContact O-N 3.38Å; R277-E279 VanDerWaalsContact C-N 3.35Å; R277-E279 PolarHBondContact O-N 3.37Å; E279-C283 PolarHBondContact O-N 3.07Å; E279-C283 VanDerWaalsContact O-N 3.11Å; E279-C283 PolarHBondContact O-SG 2.97Å; E279-T302 HydrophobicContact CB-CG2 4.04Å; E279-T302 HydrophobicContact CG-CG2 4.22Å; E279-T302 WeakPolarHBondContact OE2-CB 3.28Å; E279-T302 PolarHBondContact OE2-OG1 3.41Å; E279-S303 PolarHBondContact OE1-OG 2.79Å; E279-S303 PolarHBondContact OE2-OG 3.16Å; E279-S304 WeakPolarHBondContact OE2-CB 3.32Å; E279-S304 PolarHBondContact OE2-N 3.15Å; E279-S304 PolarHBondContact OE2-OG 3.17Å
280	K	91.7	Very high	90.9	Very high	153 Å²	153	47.3 Å²	47.3	67%	0.665	24%	0.238	S	C	*	.	H	α-helix	trans	-68.4	-43.2	176.8	-68.6	179.7	-178.7	-177.9	0	111.8	R277 W278 C283 A284	R277-K280 PolarHBondContact O-N 2.84Å; W278-K280 VanDerWaalsContact C-N 3.27Å; W278-K280 PolarHBondContact O-N 2.92Å; K280-C283 PolarHBondContact O-N 3Å; K280-A284 PolarHBondContact O-N 3.19Å; K280-A284 VanDerWaalsContact O-N 3.09Å
281	A	93	Very high	91.2	Very high	30 Å²	30	48.9 Å²	48.9	25%	0.248	26%	0.258	C	S	.	.	H	α-helix	trans	-64	-42.9	177	0	0	0	0	0	111.4	M154 V156 R277 W278 C283 A284 E285	M154-A281 HydrophobicContact CE-CB 4.23Å; M154-A281 WeakPolarHBondContact CE-O 3.41Å; M154-A281 HydrophobicContact SD-CB 3.7Å; V156-A281 HydrophobicContact CG2-CB 4.41Å; R277-A281 PolarHBondContact O-N 2.99Å; W278-A281 PolarHBondContact O-N 3.2Å; W278-A281 VanDerWaalsContact O-N 3.12Å; A281-C283 PolarHBondContact O-N 3.5Å; A281-A284 WeakPolarHBondContact O-CB 3.5Å; A281-A284 PolarHBondContact O-N 2.86Å; A281-A284 VanDerWaalsContact O-N 3.13Å; A281-E285 PolarHBondContact O-N 2.9Å
282	F	94.8	Very high	91.6	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-55.2	-51.4	174.2	171.6	-99.7	0	0	0	111.9	V126 I151 Y262 W278 A284 E285 L286 T302	V126-F282 HydrophobicContact CB-CZ 4.19Å; V126-F282 HydrophobicContact CG1-CZ 4.46Å; I151-F282 HydrophobicContact CD1-CD2 4.39Å; I151-F282 HydrophobicContact CD1-CE2 3.9Å; I151-F282 HydrophobicContact CG1-CD2 4.37Å; I151-F282 HydrophobicContact CG1-CE2 4.36Å; I151-F282 HydrophobicContact CG2-CD2 4.04Å; I151-F282 HydrophobicContact CG2-CE2 4.16Å; Y262-F282 AromaticContact CD2-CE2 3.86Å; Y262-F282 HydrophobicContact CD2-CE2 3.86Å; Y262-F282 HydrophobicContact CD2-CZ 4.28Å; Y262-F282 HydrophobicContact CE2-CE2 4.1Å; W278-F282 HydrophobicContact CD2-CB 4.46Å; W278-F282 HydrophobicContact CE3-CB 3.98Å; W278-F282 HydrophobicContact CH2-CB 4.09Å; W278-F282 AromaticContact CH2-CD2 3.54Å; W278-F282 HydrophobicContact CH2-CD2 3.54Å; W278-F282 HydrophobicContact CH2-CE2 4.14Å; W278-F282 AromaticContact CH2-CG 3.95Å; W278-F282 HydrophobicContact CH2-CG 3.95Å; W278-F282 HydrophobicContact CZ2-CD2 4.19Å; W278-F282 HydrophobicContact CZ3-CB 3.79Å; W278-F282 AromaticContact CZ3-CD2 3.94Å; W278-F282 HydrophobicContact CZ3-CD2 3.94Å; W278-F282 AromaticContact CZ3-CG 3.84Å; W278-F282 HydrophobicContact CZ3-CG 3.84Å; W278-F282 VanDerWaalsContact O-CB 3.29Å; W278-F282 WeakPolarHBondContact O-CB 3.35Å; W278-F282 PolarHBondContact O-N 3.49Å; F282-A284 VanDerWaalsContact C-N 3.29Å; F282-A284 PolarHBondContact O-N 3.12Å; F282-E285 PolarHBondContact O-N 2.89Å; F282-L286 HydrophobicContact CD1-CD1 4Å; F282-L286 HydrophobicContact CE1-CD1 3.47Å; F282-L286 VanDerWaalsContact CE1-CD1 3.47Å; F282-L286 HydrophobicContact CE2-CD1 4.04Å; F282-L286 HydrophobicContact CE2-CG 4.48Å; F282-L286 HydrophobicContact CG-CD1 4.5Å; F282-L286 HydrophobicContact CZ-CD1 3.5Å; F282-L286 HydrophobicContact CZ-CG 4.4Å; F282-L286 WeakPolarHBondContact O-CG 3.33Å; F282-L286 PolarHBondContact O-N 3.16Å; F282-T302 HydrophobicContact CD1-CG2 3.97Å; F282-T302 HydrophobicContact CE1-CG2 4.33Å
283	C	93.4	Very high	91.7	Very high	28 Å²	28	54.1 Å²	54.1	19%	0.189	28%	0.284	C	S	.	.	H	α-helix	trans	-62.2	-34.5	176.4	-73.9	0	0	0	0	113	E279 K280 A281 K287 T302	E279-C283 PolarHBondContact O-N 3.07Å; E279-C283 VanDerWaalsContact O-N 3.11Å; E279-C283 PolarHBondContact O-SG 2.97Å; K280-C283 PolarHBondContact O-N 3Å; A281-C283 PolarHBondContact O-N 3.5Å; C283-K287 WeakPolarHBondContact O-CG 3.24Å; C283-K287 PolarHBondContact O-N 3.39Å; C283-T302 VanDerWaalsContact SG-CG2 3.53Å
284	A	92.9	Very high	91.6	Very high	51 Å²	51	50.6 Å²	50.6	42%	0.421	28%	0.281	S	S	.	.	H	α-helix	trans	-69.6	-45.5	177	0	0	0	0	0	111.7	K280 A281 F282 L286 K287 L288	K280-A284 PolarHBondContact O-N 3.19Å; K280-A284 VanDerWaalsContact O-N 3.09Å; A281-A284 WeakPolarHBondContact O-CB 3.5Å; A281-A284 PolarHBondContact O-N 2.86Å; A281-A284 VanDerWaalsContact O-N 3.13Å; F282-A284 VanDerWaalsContact C-N 3.29Å; F282-A284 PolarHBondContact O-N 3.12Å; A284-L286 VanDerWaalsContact C-N 3.34Å; A284-L286 PolarHBondContact O-N 3.25Å; A284-K287 PolarHBondContact O-N 3.43Å; A284-L288 WeakPolarHBondContact O-CG 2.95Å; A284-L288 PolarHBondContact O-N 2.87Å
285	E	93.8	Very high	91.5	Very high	39 Å²	39	57.5 Å²	57.5	18%	0.182	31%	0.311	C	S	.	.	H	α-helix	trans	-62.7	-40.9	177.9	-177.1	61.4	-159.9	0	0	111.5	R150 M154 A281 F282 K287 L288 F289	R150-E285 IonicContact NH1-OE1 3.19Å; R150-E285 PolarHBondContact NH1-OE1 3.39Å; M154-E285 HydrophobicContact CE-CB 3.32Å; M154-E285 HydrophobicContact CE-CG 3.84Å; A281-E285 PolarHBondContact O-N 2.9Å; F282-E285 PolarHBondContact O-N 2.89Å; E285-K287 VanDerWaalsContact C-N 3.29Å; E285-K287 PolarHBondContact O-N 2.76Å; E285-L288 PolarHBondContact O-N 3.44Å; E285-F289 VanDerWaalsContact O-CB 3.28Å; E285-F289 WeakPolarHBondContact O-CB 3.34Å; E285-F289 PolarHBondContact O-N 3.01Å
286	L	94	Very high	91.6	Very high	6 Å²	6	58 Å²	58	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-60.7	-38.2	175.8	-73	178	0	0	0	112.8	V126 L147 I151 F282 A284 G290 L298	V126-L286 HydrophobicContact CB-CD1 3.94Å; V126-L286 HydrophobicContact CB-CD2 4.33Å; V126-L286 HydrophobicContact CG2-CD1 3.89Å; V126-L286 HydrophobicContact CG2-CD2 3.82Å; L147-L286 HydrophobicContact CD1-CD2 3.98Å; L147-L286 HydrophobicContact CD2-CD2 3.9Å; L147-L286 HydrophobicContact CG-CD2 4.42Å; I151-L286 HydrophobicContact CD1-CD2 4.36Å; F282-L286 HydrophobicContact CD1-CD1 4Å; F282-L286 HydrophobicContact CE1-CD1 3.47Å; F282-L286 VanDerWaalsContact CE1-CD1 3.47Å; F282-L286 HydrophobicContact CE2-CD1 4.04Å; F282-L286 HydrophobicContact CE2-CG 4.48Å; F282-L286 HydrophobicContact CG-CD1 4.5Å; F282-L286 HydrophobicContact CZ-CD1 3.5Å; F282-L286 HydrophobicContact CZ-CG 4.4Å; F282-L286 WeakPolarHBondContact O-CG 3.33Å; F282-L286 PolarHBondContact O-N 3.16Å; A284-L286 VanDerWaalsContact C-N 3.34Å; A284-L286 PolarHBondContact O-N 3.25Å; L286-G290 PolarHBondContact O-N 3.18Å; L286-L298 WeakPolarHBondContact O-CD1 3.5Å
287	K	92.1	Very high	91.7	Very high	149 Å²	149	57.8 Å²	57.8	65%	0.648	31%	0.312	S	S	*	.	H	α-helix	trans	-67.3	-44.6	175.6	-72.9	177.1	-178.9	-177.7	0	111.6	C283 A284 E285 G290 A291	C283-K287 WeakPolarHBondContact O-CG 3.24Å; C283-K287 PolarHBondContact O-N 3.39Å; A284-K287 PolarHBondContact O-N 3.43Å; E285-K287 VanDerWaalsContact C-N 3.29Å; E285-K287 PolarHBondContact O-N 2.76Å; K287-G290 PolarHBondContact O-N 3.22Å; K287-A291 PolarHBondContact O-N 3.18Å
288	L	93.4	Very high	91.9	Very high	119 Å²	119	55.2 Å²	55.2	62%	0.623	31%	0.305	S	S	*	.	H	α-helix	trans	-63.6	-47.9	178	-69.7	172.2	0	0	0	111.5	A284 E285 G290 A291 S292	A284-L288 WeakPolarHBondContact O-CG 2.95Å; A284-L288 PolarHBondContact O-N 2.87Å; E285-L288 PolarHBondContact O-N 3.44Å; L288-G290 PolarHBondContact O-N 2.75Å; L288-A291 PolarHBondContact O-N 3.4Å; L288-S292 PolarHBondContact O-N 3.04Å
289	F	93.7	Very high	92	Very high	5 Å²	5	58.4 Å²	58.4	2%	0.022	32%	0.317	C	S	.	.	H	α-helix	trans	-63	-43.4	178.3	-167.7	-90.5	0	0	0	111.3	T143 L147 E285 A291 S292 R293 L298	T143-F289 HydrophobicContact CG2-CE1 3.92Å; T143-F289 HydrophobicContact CG2-CZ 3.83Å; L147-F289 HydrophobicContact CB-CD1 4.34Å; L147-F289 HydrophobicContact CB-CE1 3.86Å; L147-F289 HydrophobicContact CB-CE2 4.37Å; L147-F289 HydrophobicContact CB-CZ 3.87Å; L147-F289 HydrophobicContact CD1-CB 4.21Å; L147-F289 HydrophobicContact CD1-CD1 3.88Å; L147-F289 HydrophobicContact CD1-CD2 4.16Å; L147-F289 HydrophobicContact CD1-CE1 4.26Å; L147-F289 HydrophobicContact CD1-CG 3.83Å; L147-F289 HydrophobicContact CD2-CD1 4.32Å; L147-F289 HydrophobicContact CD2-CE1 4.38Å; L147-F289 HydrophobicContact CG-CD1 4.4Å; L147-F289 HydrophobicContact CG-CE1 4.38Å; E285-F289 VanDerWaalsContact O-CB 3.28Å; E285-F289 WeakPolarHBondContact O-CB 3.34Å; E285-F289 PolarHBondContact O-N 3.01Å; F289-A291 VanDerWaalsContact C-N 3.35Å; F289-A291 PolarHBondContact O-N 2.52Å; F289-S292 PolarHBondContact O-N 3.1Å; F289-S292 VanDerWaalsContact O-N 3.16Å; F289-S292 PolarHBondContact O-OG 3.39Å; F289-R293 HydrophobicContact CE1-CG 4.25Å; F289-R293 HydrophobicContact CZ-CG 4.44Å; F289-R293 PolarHBondContact O-N 2.98Å; F289-L298 HydrophobicContact CB-CD1 4.5Å; F289-L298 HydrophobicContact CD1-CD1 3.88Å
290	G	91.3	Very high	92	Very high	20 Å²	20	58.9 Å²	58.9	21%	0.206	32%	0.321	C	S	.	.	H	α-helix	trans	-61	-39.5	176.8	0	0	0	0	0	113.5	L286 K287 L288 S292 R293 L298	L286-G290 PolarHBondContact O-N 3.18Å; K287-G290 PolarHBondContact O-N 3.22Å; L288-G290 PolarHBondContact O-N 2.75Å; G290-S292 VanDerWaalsContact C-N 3.29Å; G290-S292 PolarHBondContact O-N 2.89Å; G290-R293 CarbonylContact O-C 3.55Å; G290-R293 PolarHBondContact O-N 3.4Å; G290-L298 VanDerWaalsContact CA-CD1 3.5Å
291	A	90.8	Very high	92	Very high	85 Å²	85	52 Å²	52	70%	0.702	29%	0.292	S	S	*	.	H	α-helix	trans	-62.6	-35.8	175.8	0	0	0	0	0	112.4	K287 L288 F289	K287-A291 PolarHBondContact O-N 3.18Å; L288-A291 PolarHBondContact O-N 3.4Å; F289-A291 VanDerWaalsContact C-N 3.35Å; F289-A291 PolarHBondContact O-N 2.52Å
292	S	91	Very high	91.9	Very high	74 Å²	74	50.9 Å²	50.9	52%	0.517	28%	0.282	S	S	.	.	H	α-helix	trans	-76.7	-20.1	178.9	74.3	0	0	0	0	114.5	L288 F289 G290	L288-S292 PolarHBondContact O-N 3.04Å; F289-S292 PolarHBondContact O-N 3.1Å; F289-S292 VanDerWaalsContact O-N 3.16Å; F289-S292 PolarHBondContact O-OG 3.39Å; G290-S292 VanDerWaalsContact C-N 3.29Å; G290-S292 PolarHBondContact O-N 2.89Å
293	R	90.1	Very high	91.6	Very high	116 Å²	116	52.8 Å²	52.8	44%	0.438	30%	0.296	S	S	.	.			trans	-130.3	71.8	-174.1	-62.1	-64.2	-166.2	178.7	5.6	111.5	T143 F289 G290 K295 L296	T143-R293 HydrophobicContact CG2-CG 4.15Å; F289-R293 HydrophobicContact CE1-CG 4.25Å; F289-R293 HydrophobicContact CZ-CG 4.44Å; F289-R293 PolarHBondContact O-N 2.98Å; G290-R293 CarbonylContact O-C 3.55Å; G290-R293 PolarHBondContact O-N 3.4Å; R293-K295 PolarHBondContact O-N 3.09Å; R293-L296 PolarHBondContact O-N 3.42Å; R293-L296 VanDerWaalsContact O-N 3.1Å
294	P	84.4	Confident	91.2	Very high	80 Å²	80	52.6 Å²	52.6	52%	0.519	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-8	-173.6	27.5	-36.5	0	0	0	115	R131 L296	R131-P294 VanDerWaalsContact CD-O 3.32Å; R131-P294 WeakPolarHBondContact CD-O 3.41Å; R131-P294 PolarHBondContact NE-O 3.35Å; R131-P294 VanDerWaalsContact NE-O 3.13Å; R131-P294 PolarHBondContact NH1-O 2.64Å; P294-L296 VanDerWaalsContact C-N 3.28Å
295	K	86.7	Confident	91	Very high	148 Å²	148	50.9 Å²	50.9	64%	0.643	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-23.2	174.5	-65.6	-175.6	-179.3	179.4	0	112.7	R131 R293	R131-K295 PolarHBondContact N-O 2.97Å; R293-K295 PolarHBondContact O-N 3.09Å
296	L	90.8	Very high	90.7	Very high	9 Å²	9	50.6 Å²	50.6	5%	0.047	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	138.8	177.9	-63.6	173.4	0	0	0	110.4	I128 T129 H140 T143 R293 P294	I128-L296 HydrophobicContact CG2-CB 4.41Å; I128-L296 HydrophobicContact CG2-CD1 4.38Å; I128-L296 HydrophobicContact CG2-CD2 4.19Å; T129-L296 CarbonylContact O-C 3.53Å; T129-L296 WeakPolarHBondContact O-CA 3.4Å; H140-L296 HydrophobicContact CB-CD2 4.36Å; T143-L296 HydrophobicContact CG2-CD1 3.54Å; R293-L296 PolarHBondContact O-N 3.42Å; R293-L296 VanDerWaalsContact O-N 3.1Å; P294-L296 VanDerWaalsContact C-N 3.28Å
297	G	92.3	Very high	90.3	Very high	9 Å²	9	55.2 Å²	55.2	9%	0.093	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	131.6	164.6	0	0	0	0	0	109.7	I128 T129	I128-G297 CarbonylContact C-O 3.52Å; I128-G297 VanDerWaalsContact CA-O 3.32Å; I128-G297 WeakPolarHBondContact CA-O 3.35Å; T129-G297 PolarHBondContact N-O 2.88Å; T129-G297 PolarHBondContact O-N 3.33Å; T129-G297 WeakPolarHBondContact OG1-CA 3.33Å
298	L	94.5	Very high	90.1	Very high	37 Å²	37	51.4 Å²	51.4	19%	0.194	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.2	177.6	-61.2	172.7	0	0	0	109.4	V126 I128 L147 L286 F289 G290	V126-L298 HydrophobicContact CG2-CD2 4.28Å; I128-L298 HydrophobicContact CB-CD2 4.09Å; I128-L298 HydrophobicContact CD1-CD2 4.39Å; I128-L298 HydrophobicContact CG1-CD2 3.67Å; I128-L298 HydrophobicContact CG2-CD2 3.77Å; L147-L298 HydrophobicContact CD2-CD2 3.95Å; L286-L298 WeakPolarHBondContact O-CD1 3.5Å; F289-L298 HydrophobicContact CB-CD1 4.5Å; F289-L298 HydrophobicContact CD1-CD1 3.88Å; G290-L298 VanDerWaalsContact CA-CD1 3.5Å
299	Y	94.2	Very high	89.8	Confident	67 Å²	67	46.8 Å²	46.8	26%	0.263	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	118.4	178.6	-52.9	-84.3	0	0	0	108.8	V126 I127 T129 L587 Y588 A591	V126-Y299 CarbonylContact C-O 3.5Å; V126-Y299 VanDerWaalsContact CA-O 3.28Å; V126-Y299 WeakPolarHBondContact CA-O 3.5Å; I127-Y299 HydrophobicContact CB-CD2 4.41Å; I127-Y299 HydrophobicContact CG2-CD2 4.27Å; I127-Y299 PolarHBondContact N-O 3.42Å; I127-Y299 PolarHBondContact O-N 2.91Å; T129-Y299 HydrophobicContact CG2-CD2 4.28Å; T129-Y299 HydrophobicContact CG2-CE2 3.85Å; Y299-L587 HydrophobicContact CD1-CB 3.95Å; Y299-L587 HydrophobicContact CE1-CB 4.37Å; Y299-Y588 WeakPolarHBondContact O-CD2 3.23Å; Y299-A591 HydrophobicContact CD1-CB 4.47Å; Y299-A591 HydrophobicContact CD2-CB 3.86Å; Y299-A591 HydrophobicContact CE2-CB 4.17Å; Y299-A591 HydrophobicContact CG-CB 4.02Å
300	S	93.3	Very high	89.6	Confident	12 Å²	12	46.6 Å²	46.6	8%	0.084	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	138.2	-176.3	61.4	0	0	0	0	111.6	R125	R125-S300 WeakPolarHBondContact O-CA 3.27Å
301	A	91.3	Very high	89.4	Confident	7 Å²	7	47.1 Å²	47.1	6%	0.058	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	143.5	163.8	0	0	0	0	0	109.6	R125 Y588	R125-A301 WeakPolarHBondContact CA-O 3.42Å; R125-A301 HydrophobicContact CB-CB 4.43Å; R125-A301 PolarHBondContact N-O 3.16Å; R125-A301 PolarHBondContact O-N 2.67Å; R125-A301 VanDerWaalsContact O-O 3.1Å; A301-Y588 HydrophobicContact CB-CD1 3.64Å; A301-Y588 HydrophobicContact CB-CD2 3.55Å; A301-Y588 HydrophobicContact CB-CE1 3.84Å; A301-Y588 HydrophobicContact CB-CE2 3.71Å; A301-Y588 HydrophobicContact CB-CG 3.51Å
302	T	91.6	Very high	89.3	Confident	8 Å²	8	47.5 Å²	47.5	5%	0.049	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	163.9	174.4	67.4	0	0	0	0	109.8	Y123 E279 F282 C283 S304 S305	Y123-T302 VanDerWaalsContact O-CA 3.32Å; Y123-T302 WeakPolarHBondContact O-CA 3.42Å; E279-T302 HydrophobicContact CB-CG2 4.04Å; E279-T302 HydrophobicContact CG-CG2 4.22Å; E279-T302 WeakPolarHBondContact OE2-CB 3.28Å; E279-T302 PolarHBondContact OE2-OG1 3.41Å; F282-T302 HydrophobicContact CD1-CG2 3.97Å; F282-T302 HydrophobicContact CE1-CG2 4.33Å; C283-T302 VanDerWaalsContact SG-CG2 3.53Å; T302-S304 PolarHBondContact O-N 3.28Å; T302-S304 VanDerWaalsContact O-N 3.16Å; T302-S305 PolarHBondContact N-OG 3.43Å; T302-S305 VanDerWaalsContact N-OG 3.16Å; T302-S305 WeakPolarHBondContact O-CB 3.34Å; T302-S305 PolarHBondContact O-N 2.9Å; T302-S305 PolarHBondContact O-OG 3.42Å; T302-S305 PolarHBondContact OG1-N 2.92Å
303	S	87.1	Confident	89.2	Confident	40 Å²	40	44 Å²	44	28%	0.28	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-33.3	173.1	31.2	0	0	0	0	113.5	R122 Y123 E279	R122-S303 VanDerWaalsContact CA-OG 3.24Å; R122-S303 WeakPolarHBondContact CA-OG 3.49Å; R122-S303 WeakPolarHBondContact CB-OG 2.92Å; Y123-S303 PolarHBondContact N-OG 3.02Å; Y123-S303 PolarHBondContact O-N 3.12Å; Y123-S303 VanDerWaalsContact O-N 3.1Å; Y123-S303 PolarHBondContact O-OG 3.16Å; E279-S303 PolarHBondContact OE1-OG 2.79Å; E279-S303 PolarHBondContact OE2-OG 3.16Å
304	S	87.1	Confident	89.2	Confident	24 Å²	24	39.2 Å²	39.2	17%	0.168	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-9.6	177	65.4	0	0	0	0	115.3	E279 T302 L306 R307 T308	E279-S304 WeakPolarHBondContact OE2-CB 3.32Å; E279-S304 PolarHBondContact OE2-N 3.15Å; E279-S304 PolarHBondContact OE2-OG 3.17Å; T302-S304 PolarHBondContact O-N 3.28Å; T302-S304 VanDerWaalsContact O-N 3.16Å; S304-L306 PolarHBondContact O-N 3.26Å; S304-R307 WeakPolarHBondContact O-CB 3.23Å; S304-R307 PolarHBondContact O-N 3.47Å; S304-R307 VanDerWaalsContact O-N 3.17Å; S304-T308 WeakPolarHBondContact O-CG2 3.28Å; S304-T308 PolarHBondContact O-N 3.34Å; S304-T308 PolarHBondContact O-OG1 3Å
305	S	88.2	Confident	89.5	Confident	14 Å²	14	39.3 Å²	39.3	10%	0.098	20%	0.202	C	C	.	.	H	α-helix	trans	-59.3	-46.5	-173.1	62.8	0	0	0	0	113.5	T302 R307 T308 D309 T585	T302-S305 PolarHBondContact N-OG 3.43Å; T302-S305 VanDerWaalsContact N-OG 3.16Å; T302-S305 WeakPolarHBondContact O-CB 3.34Å; T302-S305 PolarHBondContact O-N 2.9Å; T302-S305 PolarHBondContact O-OG 3.42Å; T302-S305 PolarHBondContact OG1-N 2.92Å; S305-R307 VanDerWaalsContact C-N 3.33Å; S305-R307 PolarHBondContact O-N 3.18Å; S305-T308 WeakPolarHBondContact CA-OG1 3.31Å; S305-T308 PolarHBondContact O-N 3.03Å; S305-T308 PolarHBondContact O-OG1 3.14Å; S305-D309 WeakPolarHBondContact O-CB 3.13Å; S305-D309 VanDerWaalsContact O-CG 3.26Å; S305-D309 PolarHBondContact O-N 2.9Å; S305-T585 WeakPolarHBondContact CB-OG1 3.11Å; S305-T585 PolarHBondContact OG-OG1 3.09Å
306	L	86.3	Confident	89.7	Confident	34 Å²	34	35.2 Å²	35.2	18%	0.178	19%	0.187	C	C	.	.	H	α-helix	trans	-60.2	-44.3	176.9	-178.5	67.4	0	0	0	111.3	V82 S304 D309 F310 P575 V579 T585	V82-L306 HydrophobicContact CG1-CD2 4.13Å; V82-L306 HydrophobicContact CG1-CG 4.33Å; S304-L306 PolarHBondContact O-N 3.26Å; L306-D309 PolarHBondContact O-N 3.35Å; L306-F310 VanDerWaalsContact O-CB 3.22Å; L306-F310 WeakPolarHBondContact O-CB 3.21Å; L306-F310 PolarHBondContact O-N 3.2Å; L306-P575 HydrophobicContact CD1-CB 4.29Å; L306-P575 HydrophobicContact CD2-CB 4.14Å; L306-P575 HydrophobicContact CD2-CG 4.33Å; L306-V579 HydrophobicContact CD1-CG1 3.82Å; L306-T585 HydrophobicContact CD1-CG2 4.16Å
307	R	86.3	Confident	89.7	Confident	103 Å²	103	35 Å²	35	39%	0.389	19%	0.186	S	C	.	.	H	α-helix	trans	-61.4	-47.7	176.6	179.5	-163.3	174.1	158	-7	111.6	G80 V82 S304 S305 Q311	G80-R307 VanDerWaalsContact CA-NH2 3.33Å; G80-R307 WeakPolarHBondContact O-CD 3.43Å; G80-R307 PolarHBondContact O-NE 3.1Å; G80-R307 PolarHBondContact O-NH1 3.27Å; V82-R307 HydrophobicContact CG2-CB 3.92Å; V82-R307 HydrophobicContact CG2-CG 4.19Å; S304-R307 WeakPolarHBondContact O-CB 3.23Å; S304-R307 PolarHBondContact O-N 3.47Å; S304-R307 VanDerWaalsContact O-N 3.17Å; S305-R307 VanDerWaalsContact C-N 3.33Å; S305-R307 PolarHBondContact O-N 3.18Å; R307-Q311 WeakPolarHBondContact O-CG 3.38Å; R307-Q311 PolarHBondContact O-N 3.24Å; R307-Q311 VanDerWaalsContact O-N 3.15Å
308	T	87.4	Confident	89.7	Confident	69 Å²	69	42 Å²	42	42%	0.423	21%	0.21	S	C	.	.	H	α-helix	trans	-64.9	-41.9	-178.8	51.2	0	0	0	0	111.5	S304 S305 Q311 F312	S304-T308 WeakPolarHBondContact O-CG2 3.28Å; S304-T308 PolarHBondContact O-N 3.34Å; S304-T308 PolarHBondContact O-OG1 3Å; S305-T308 WeakPolarHBondContact CA-OG1 3.31Å; S305-T308 PolarHBondContact O-N 3.03Å; S305-T308 PolarHBondContact O-OG1 3.14Å; T308-Q311 PolarHBondContact O-N 2.81Å; T308-F312 VanDerWaalsContact O-CB 3.32Å; T308-F312 WeakPolarHBondContact O-CB 3.45Å; T308-F312 PolarHBondContact O-N 3.22Å
309	D	88.5	Confident	89.6	Confident	21 Å²	21	49.9 Å²	49.9	11%	0.112	24%	0.237	C	C	.	.	H	α-helix	trans	-73.1	-34.3	-177.4	-70.8	-1.7	0	0	0	112.1	S305 L306 F312 S313 V579 T583 T585	S305-D309 WeakPolarHBondContact O-CB 3.13Å; S305-D309 VanDerWaalsContact O-CG 3.26Å; S305-D309 PolarHBondContact O-N 2.9Å; L306-D309 PolarHBondContact O-N 3.35Å; D309-F312 PolarHBondContact O-N 3.37Å; D309-S313 PolarHBondContact O-N 3.4Å; D309-V579 HydrophobicContact CB-CB 4.06Å; D309-V579 HydrophobicContact CB-CG1 4.22Å; D309-V579 HydrophobicContact CB-CG2 4.43Å; D309-T583 HydrophobicContact CB-CG2 4.14Å; D309-T583 VanDerWaalsContact CG-CB 3.45Å; D309-T583 WeakPolarHBondContact OD2-CB 3.2Å; D309-T583 PolarHBondContact OD2-OG1 3.33Å; D309-T585 VanDerWaalsContact OD2-CB 3.24Å; D309-T585 WeakPolarHBondContact OD2-CB 3.44Å; D309-T585 PolarHBondContact OD2-N 3.08Å; D309-T585 PolarHBondContact OD2-OG1 3.08Å
310	F	87.9	Confident	89.6	Confident	2 Å²	2	48 Å²	48	1%	0.009	23%	0.233	C	C	.	.	H	α-helix	trans	-60.9	-49.2	171.3	-175.4	-112.4	0	0	0	111	V82 L306 F312 S313 S376 T377 L578 V579 L867	V82-F310 HydrophobicContact CG2-CD1 4.32Å; L306-F310 VanDerWaalsContact O-CB 3.22Å; L306-F310 WeakPolarHBondContact O-CB 3.21Å; L306-F310 PolarHBondContact O-N 3.2Å; F310-F312 VanDerWaalsContact C-N 3.32Å; F310-F312 PolarHBondContact O-N 3.17Å; F310-S313 WeakPolarHBondContact O-CB 3.26Å; F310-S313 PolarHBondContact O-N 3.39Å; F310-S376 PolarHBondContact O-OG 3.44Å; F310-T377 HydrophobicContact CZ-CG2 3.94Å; F310-L578 HydrophobicContact CE2-CB 4.44Å; F310-V579 HydrophobicContact CB-CG1 4.16Å; F310-L867 HydrophobicContact CE2-CD1 3.72Å; F310-L867 HydrophobicContact CZ-CD1 4.35Å
311	Q	87.5	Confident	89.5	Confident	30 Å²	30	49.4 Å²	49.4	14%	0.14	24%	0.24	C	C	.	.	H	α-helix	trans	-68.7	-30.3	178.1	-62.4	-64	-10.4	0	0	113.1	V78 R307 T308 S313 S314 S376	V78-Q311 VanDerWaalsContact CG1-CD 3.45Å; V78-Q311 HydrophobicContact CG1-CG 4.05Å; V78-Q311 VanDerWaalsContact CG1-NE2 3.31Å; R307-Q311 WeakPolarHBondContact O-CG 3.38Å; R307-Q311 PolarHBondContact O-N 3.24Å; R307-Q311 VanDerWaalsContact O-N 3.15Å; T308-Q311 PolarHBondContact O-N 2.81Å; Q311-S313 PolarHBondContact O-N 3.29Å; Q311-S314 PolarHBondContact O-N 2.61Å; Q311-S314 VanDerWaalsContact O-N 3.15Å; Q311-S376 WeakPolarHBondContact CA-OG 3.44Å; Q311-S376 PolarHBondContact OE1-OG 3.34Å
312	F	89.3	Confident	89.6	Confident	93 Å²	93	54.6 Å²	54.6	41%	0.408	27%	0.266	S	S	.	.	H	α-helix	trans	-61.8	-29.3	176.7	-172	-119.4	0	0	0	112.6	T308 D309 F310 S314 V315 L316 A580 T583	T308-F312 VanDerWaalsContact O-CB 3.32Å; T308-F312 WeakPolarHBondContact O-CB 3.45Å; T308-F312 PolarHBondContact O-N 3.22Å; D309-F312 PolarHBondContact O-N 3.37Å; F310-F312 VanDerWaalsContact C-N 3.32Å; F310-F312 PolarHBondContact O-N 3.17Å; F312-S314 VanDerWaalsContact C-N 3.27Å; F312-S314 PolarHBondContact O-N 3.44Å; F312-V315 HydrophobicContact CD2-CB 4.31Å; F312-V315 WeakPolarHBondContact O-CB 3.27Å; F312-V315 PolarHBondContact O-N 2.9Å; F312-V315 VanDerWaalsContact O-N 3.08Å; F312-L316 HydrophobicContact CD1-CD1 3.74Å; F312-L316 HydrophobicContact CD1-CG 3.99Å; F312-L316 HydrophobicContact CE1-CD1 3.58Å; F312-L316 HydrophobicContact CE1-CD2 3.8Å; F312-L316 HydrophobicContact CE1-CG 3.7Å; F312-L316 HydrophobicContact CE2-CD2 4.41Å; F312-L316 HydrophobicContact CE2-CG 4.45Å; F312-L316 HydrophobicContact CG-CG 4.49Å; F312-L316 HydrophobicContact CZ-CD1 4.32Å; F312-L316 HydrophobicContact CZ-CD2 3.7Å; F312-L316 HydrophobicContact CZ-CG 3.95Å; F312-L316 WeakPolarHBondContact O-CG 3.24Å; F312-L316 PolarHBondContact O-N 3.07Å; F312-A580 HydrophobicContact CD1-CB 4.13Å; F312-T583 HydrophobicContact CD1-CG2 4.4Å
313	S	88.9	Confident	89.7	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-56.6	-40.7	174.1	-64.4	0	0	0	0	112.3	D309 F310 Q311 L316 A317 A580 S865	D309-S313 PolarHBondContact O-N 3.4Å; F310-S313 WeakPolarHBondContact O-CB 3.26Å; F310-S313 PolarHBondContact O-N 3.39Å; Q311-S313 PolarHBondContact O-N 3.29Å; S313-L316 PolarHBondContact O-N 2.93Å; S313-A317 WeakPolarHBondContact O-CB 3.38Å; S313-A317 PolarHBondContact O-N 2.82Å; S313-A580 PolarHBondContact OG-N 3.4Å; S313-S865 WeakPolarHBondContact CB-OG 3.34Å; S313-S865 PolarHBondContact OG-OG 2.9Å
314	S	89.6	Confident	90	Very high	17 Å²	17	54.8 Å²	54.8	12%	0.119	27%	0.271	C	S	.	.	H	α-helix	trans	-68.3	-35.2	176.8	-62.5	0	0	0	0	112.8	Q311 F312 A317 R318 Y374 S376 L379	Q311-S314 PolarHBondContact O-N 2.61Å; Q311-S314 VanDerWaalsContact O-N 3.15Å; F312-S314 VanDerWaalsContact C-N 3.27Å; F312-S314 PolarHBondContact O-N 3.44Å; S314-A317 PolarHBondContact O-N 3.31Å; S314-R318 PolarHBondContact O-N 3.46Å; S314-Y374 PolarHBondContact OG-OH 3.09Å; S314-S376 WeakPolarHBondContact OG-CA 3.34Å; S314-S376 WeakPolarHBondContact OG-CB 3.33Å; S314-S376 PolarHBondContact OG-OG 2.8Å; S314-L379 WeakPolarHBondContact OG-CD1 3.39Å
315	V	90.8	Very high	90.3	Very high	81 Å²	81	58.1 Å²	58.1	49%	0.491	29%	0.286	S	S	.	.	H	α-helix	trans	-67.1	-43.2	175.9	-179.8	0	0	0	0	111	F312 A317 R318	F312-V315 HydrophobicContact CD2-CB 4.31Å; F312-V315 WeakPolarHBondContact O-CB 3.27Å; F312-V315 PolarHBondContact O-N 2.9Å; F312-V315 VanDerWaalsContact O-N 3.08Å; V315-A317 VanDerWaalsContact C-N 3.32Å; V315-A317 PolarHBondContact O-N 3.28Å; V315-R318 WeakPolarHBondContact O-CB 3.29Å; V315-R318 PolarHBondContact O-N 2.81Å
316	L	90.9	Very high	90.6	Very high	62 Å²	62	59.5 Å²	59.5	33%	0.325	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-37.9	176	-70.1	175.5	0	0	0	112	F312 S313 R318 P320 A580 V863	F312-L316 HydrophobicContact CD1-CD1 3.74Å; F312-L316 HydrophobicContact CD1-CG 3.99Å; F312-L316 HydrophobicContact CE1-CD1 3.58Å; F312-L316 HydrophobicContact CE1-CD2 3.8Å; F312-L316 HydrophobicContact CE1-CG 3.7Å; F312-L316 HydrophobicContact CE2-CD2 4.41Å; F312-L316 HydrophobicContact CE2-CG 4.45Å; F312-L316 HydrophobicContact CG-CG 4.49Å; F312-L316 HydrophobicContact CZ-CD1 4.32Å; F312-L316 HydrophobicContact CZ-CD2 3.7Å; F312-L316 HydrophobicContact CZ-CG 3.95Å; F312-L316 WeakPolarHBondContact O-CG 3.24Å; F312-L316 PolarHBondContact O-N 3.07Å; S313-L316 PolarHBondContact O-N 2.93Å; L316-R318 VanDerWaalsContact C-N 3.29Å; L316-R318 PolarHBondContact O-N 2.92Å; L316-P320 WeakPolarHBondContact O-CD 3.1Å; L316-A580 HydrophobicContact CD1-CB 3.77Å; L316-V863 HydrophobicContact CB-CG1 4.05Å
317	A	91.2	Very high	91	Very high	4 Å²	4	61 Å²	61	3%	0.033	31%	0.312	C	S	.	.	H	α-helix	trans	-70.9	-18.5	-179.9	0	0	0	0	0	114	S313 S314 V315 R319 P320 L321 L379 V863 T868	S313-A317 WeakPolarHBondContact O-CB 3.38Å; S313-A317 PolarHBondContact O-N 2.82Å; S314-A317 PolarHBondContact O-N 3.31Å; V315-A317 VanDerWaalsContact C-N 3.32Å; V315-A317 PolarHBondContact O-N 3.28Å; A317-R319 PolarHBondContact O-N 2.91Å; A317-P320 VanDerWaalsContact O-CD 3.3Å; A317-P320 WeakPolarHBondContact O-CD 3.29Å; A317-L321 HydrophobicContact CB-CD1 4.1Å; A317-L321 HydrophobicContact CB-CG 4.38Å; A317-L321 WeakPolarHBondContact O-CB 3.47Å; A317-L321 WeakPolarHBondContact O-CG 3.3Å; A317-L321 PolarHBondContact O-N 3.26Å; A317-L379 HydrophobicContact CB-CD1 4.39Å; A317-L379 HydrophobicContact CB-CD2 3.96Å; A317-V863 HydrophobicContact CB-CG2 4.41Å; A317-T868 HydrophobicContact CB-CG2 4.23Å
318	R	91.9	Very high	91.4	Very high	157 Å²	157	56 Å²	56	59%	0.592	29%	0.294	S	S	*	.	H	α-helix	trans	-53.8	-49.7	-173.9	-178.5	175.8	59.3	176.3	-1.5	114.3	S314 V315 L316 L322	S314-R318 PolarHBondContact O-N 3.46Å; V315-R318 WeakPolarHBondContact O-CB 3.29Å; V315-R318 PolarHBondContact O-N 2.81Å; L316-R318 VanDerWaalsContact C-N 3.29Å; L316-R318 PolarHBondContact O-N 2.92Å; R318-L322 PolarHBondContact O-N 3.5Å
319	R	92.6	Very high	91.7	Very high	202 Å²	202	53.3 Å²	53.3	76%	0.762	28%	0.279	S	S	*	.	H	α-helix	trans	-69.4	-46.6	-178.6	-67	179.6	179.1	171.2	-0.7	111.5	A317 L321 L322 A323	A317-R319 PolarHBondContact O-N 2.91Å; R319-L321 VanDerWaalsContact C-N 3.31Å; R319-L321 PolarHBondContact O-N 3.26Å; R319-L322 PolarHBondContact O-N 3.19Å; R319-A323 PolarHBondContact O-N 3.39Å
320	P	93.8	Very high	92	Very high	27 Å²	27	56.6 Å²	56.6	18%	0.175	30%	0.3	C	S	.	.	H	α-helix	trans	-61.8	-32.3	174.6	-31.4	42.8	0	0	0	114.8	L316 A317 A323 S324 P859 V863	L316-P320 WeakPolarHBondContact O-CD 3.1Å; A317-P320 VanDerWaalsContact O-CD 3.3Å; A317-P320 WeakPolarHBondContact O-CD 3.29Å; P320-A323 WeakPolarHBondContact O-CB 3.17Å; P320-A323 PolarHBondContact O-N 2.96Å; P320-S324 WeakPolarHBondContact O-CB 3.41Å; P320-S324 PolarHBondContact O-N 2.93Å; P320-P859 HydrophobicContact CB-CB 4.25Å; P320-P859 WeakPolarHBondContact CB-O 3.32Å; P320-P859 WeakPolarHBondContact O-CB 3.49Å; P320-V863 HydrophobicContact CB-CG2 3.76Å; P320-V863 HydrophobicContact CG-CG2 3.64Å
321	L	91.6	Very high	92.3	Very high	43 Å²	43	58.6 Å²	58.6	23%	0.225	31%	0.31	C	S	.	.	H	α-helix	trans	-63.7	-40.2	173.1	-75.2	170.6	0	0	0	112.4	A317 R319 A323 S324 L325 L379 F383	A317-L321 HydrophobicContact CB-CD1 4.1Å; A317-L321 HydrophobicContact CB-CG 4.38Å; A317-L321 WeakPolarHBondContact O-CB 3.47Å; A317-L321 WeakPolarHBondContact O-CG 3.3Å; A317-L321 PolarHBondContact O-N 3.26Å; R319-L321 VanDerWaalsContact C-N 3.31Å; R319-L321 PolarHBondContact O-N 3.26Å; L321-A323 VanDerWaalsContact C-N 3.34Å; L321-S324 WeakPolarHBondContact O-CB 3.33Å; L321-S324 PolarHBondContact O-N 2.84Å; L321-L325 PolarHBondContact O-N 2.84Å; L321-L379 HydrophobicContact CD1-CD2 3.84Å; L321-F383 HydrophobicContact CD2-CE2 3.8Å; L321-F383 HydrophobicContact CD2-CZ 3.53Å
322	L	92.4	Very high	92.6	Very high	116 Å²	116	57.1 Å²	57.1	61%	0.607	30%	0.304	S	S	*	.	H	α-helix	trans	-65.5	-39.5	173.4	-67.9	171.7	0	0	0	111.5	R318 R319 S324 L325 G326	R318-L322 PolarHBondContact O-N 3.5Å; R319-L322 PolarHBondContact O-N 3.19Å; L322-S324 VanDerWaalsContact C-N 3.33Å; L322-L325 PolarHBondContact O-N 2.91Å; L322-G326 PolarHBondContact O-N 3.35Å
323	A	94.4	Very high	92.7	Very high	49 Å²	49	55.3 Å²	55.3	41%	0.405	30%	0.297	S	S	.	.	H	α-helix	trans	-63.4	-39.3	173.7	0	0	0	0	0	112	R319 P320 L321 G326 V327 P859	R319-A323 PolarHBondContact O-N 3.39Å; P320-A323 WeakPolarHBondContact O-CB 3.17Å; P320-A323 PolarHBondContact O-N 2.96Å; L321-A323 VanDerWaalsContact C-N 3.34Å; A323-G326 PolarHBondContact O-N 2.87Å; A323-V327 WeakPolarHBondContact O-CG2 3.5Å; A323-V327 PolarHBondContact O-N 2.8Å; A323-P859 HydrophobicContact CB-CB 4.1Å; A323-P859 HydrophobicContact CB-CG 4.28Å
324	S	93.8	Very high	92.8	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.021	32%	0.324	C	S	.	.	H	α-helix	trans	-58.5	-47.3	174.6	171.1	0	0	0	0	111.9	P320 L321 L322 G326 V327 C328 A856	P320-S324 WeakPolarHBondContact O-CB 3.41Å; P320-S324 PolarHBondContact O-N 2.93Å; L321-S324 WeakPolarHBondContact O-CB 3.33Å; L321-S324 PolarHBondContact O-N 2.84Å; L322-S324 VanDerWaalsContact C-N 3.33Å; S324-G326 VanDerWaalsContact C-N 3.34Å; S324-G326 PolarHBondContact O-N 2.83Å; S324-V327 PolarHBondContact O-N 3.14Å; S324-C328 VanDerWaalsContact O-CB 3.24Å; S324-C328 WeakPolarHBondContact O-CB 3.31Å; S324-C328 PolarHBondContact O-N 2.79Å; S324-A856 WeakPolarHBondContact CB-O 3.41Å; S324-A856 WeakPolarHBondContact OG-CA 3.19Å; S324-A856 PolarHBondContact OG-O 2.76Å
325	L	92.7	Very high	92.8	Very high	94 Å²	94	60 Å²	60	49%	0.492	32%	0.321	S	S	.	.	H	α-helix	trans	-61.1	-41.8	174.4	-70.4	172.6	0	0	0	112	L321 L322 G329	L321-L325 PolarHBondContact O-N 2.84Å; L322-L325 PolarHBondContact O-N 2.91Å; L325-G329 PolarHBondContact O-N 3.39Å
326	G	93.9	Very high	92.7	Very high	42 Å²	42	56.1 Å²	56.1	43%	0.433	30%	0.298	S	S	.	.	H	α-helix	trans	-63	-50.1	177	0	0	0	0	0	113	L322 A323 S324 G329 V330	L322-G326 PolarHBondContact O-N 3.35Å; A323-G326 PolarHBondContact O-N 2.87Å; S324-G326 VanDerWaalsContact C-N 3.34Å; S324-G326 PolarHBondContact O-N 2.83Å; G326-G329 PolarHBondContact O-N 3.36Å; G326-V330 WeakPolarHBondContact O-CG2 3.4Å; G326-V330 PolarHBondContact O-N 3.01Å
327	V	95.1	Very high	92.6	Very high	65 Å²	65	55.3 Å²	55.3	39%	0.394	30%	0.297	S	S	.	.	H	α-helix	trans	-61.2	-46.1	177.8	171.2	0	0	0	0	110.8	A323 S324 G329 V330 L331 A855 P859	A323-V327 WeakPolarHBondContact O-CG2 3.5Å; A323-V327 PolarHBondContact O-N 2.8Å; S324-V327 PolarHBondContact O-N 3.14Å; V327-G329 VanDerWaalsContact C-N 3.28Å; V327-G329 PolarHBondContact O-N 2.71Å; V327-V330 PolarHBondContact O-N 3.44Å; V327-L331 PolarHBondContact O-N 2.95Å; V327-A855 HydrophobicContact CG1-CB 3.91Å; V327-P859 HydrophobicContact CG2-CG 4.48Å
328	C	95.2	Very high	92.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.3	-37.1	176.2	-168.7	0	0	0	0	111.9	S324 L331 A332 L353 L386 A856	S324-C328 VanDerWaalsContact O-CB 3.24Å; S324-C328 WeakPolarHBondContact O-CB 3.31Å; S324-C328 PolarHBondContact O-N 2.79Å; C328-L331 PolarHBondContact O-N 3.45Å; C328-A332 VanDerWaalsContact O-CB 3.24Å; C328-A332 WeakPolarHBondContact O-CB 3.39Å; C328-A332 PolarHBondContact O-N 3.07Å; C328-L353 HydrophobicContact CB-CD1 4.46Å; C328-L386 HydrophobicContact CB-CD1 4.37Å; C328-A856 HydrophobicContact CB-CB 4.03Å
329	G	94.3	Very high	91.5	Very high	12 Å²	12	57.8 Å²	57.8	12%	0.124	31%	0.307	C	S	.	.	H	α-helix	trans	-63.7	-46.4	176.4	0	0	0	0	0	113.2	L325 G326 V327 L331 A332 I333	L325-G329 PolarHBondContact O-N 3.39Å; G326-G329 PolarHBondContact O-N 3.36Å; V327-G329 VanDerWaalsContact C-N 3.28Å; V327-G329 PolarHBondContact O-N 2.71Å; G329-L331 VanDerWaalsContact C-N 3.31Å; G329-L331 PolarHBondContact O-N 3.47Å; G329-A332 PolarHBondContact O-N 2.99Å; G329-I333 WeakPolarHBondContact O-CB 3.42Å; G329-I333 WeakPolarHBondContact O-CD1 3.3Å; G329-I333 VanDerWaalsContact O-CG1 3.26Å; G329-I333 WeakPolarHBondContact O-CG1 3.42Å; G329-I333 PolarHBondContact O-N 3Å
330	V	94.4	Very high	91	Very high	90 Å²	90	48.5 Å²	48.5	55%	0.545	27%	0.273	S	S	.	.	H	α-helix	trans	-59.2	-46.1	174.5	173.7	0	0	0	0	110.3	G326 V327 I333 L334	G326-V330 WeakPolarHBondContact O-CG2 3.4Å; G326-V330 PolarHBondContact O-N 3.01Å; V327-V330 PolarHBondContact O-N 3.44Å; V330-I333 WeakPolarHBondContact O-CB 3.02Å; V330-I333 PolarHBondContact O-N 3.23Å; V330-L334 HydrophobicContact CG1-CD1 4.04Å; V330-L334 VanDerWaalsContact O-CG 3.3Å; V330-L334 WeakPolarHBondContact O-CG 3.35Å; V330-L334 PolarHBondContact O-N 3.46Å
331	L	93.1	Very high	90.5	Very high	43 Å²	43	47.6 Å²	47.6	23%	0.225	27%	0.267	C	S	.	.	H	α-helix	trans	-69.3	-38.4	-178	-142.1	63.4	0	0	0	112.5	V327 C328 G329 I333 L334 C335 V851 A855	V327-L331 PolarHBondContact O-N 2.95Å; C328-L331 PolarHBondContact O-N 3.45Å; G329-L331 VanDerWaalsContact C-N 3.31Å; G329-L331 PolarHBondContact O-N 3.47Å; L331-I333 VanDerWaalsContact C-N 3.34Å; L331-I333 PolarHBondContact O-N 2.96Å; L331-L334 HydrophobicContact CD1-CD1 4.23Å; L331-L334 PolarHBondContact O-N 2.94Å; L331-C335 WeakPolarHBondContact O-CB 3.37Å; L331-C335 PolarHBondContact O-N 3.31Å; L331-C335 PolarHBondContact O-SG 2.88Å; L331-C335 VanDerWaalsContact O-SG 3.34Å; L331-V851 HydrophobicContact CD2-CG1 3.45Å; L331-V851 VanDerWaalsContact CD2-CG1 3.45Å; L331-V851 WeakPolarHBondContact CD2-O 3.16Å; L331-V851 HydrophobicContact CG-CG1 4.08Å; L331-A855 HydrophobicContact CD2-CB 3.42Å; L331-A855 VanDerWaalsContact CD2-CB 3.42Å
332	A	93.9	Very high	90.2	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.2	-39.8	174.3	0	0	0	0	0	111.9	C328 G329 C335 C336 L353 F394	C328-A332 VanDerWaalsContact O-CB 3.24Å; C328-A332 WeakPolarHBondContact O-CB 3.39Å; C328-A332 PolarHBondContact O-N 3.07Å; G329-A332 PolarHBondContact O-N 2.99Å; A332-C335 PolarHBondContact O-N 3.28Å; A332-C336 WeakPolarHBondContact O-CB 3.42Å; A332-C336 PolarHBondContact O-N 3.36Å; A332-C336 PolarHBondContact O-SG 3.09Å; A332-C336 VanDerWaalsContact O-SG 3.34Å; A332-L353 HydrophobicContact CB-CD1 4.38Å; A332-F394 HydrophobicContact CB-CZ 4.36Å
333	I	93.1	Very high	89.7	Confident	54 Å²	54	42.7 Å²	42.7	28%	0.277	24%	0.238	S	C	.	.	H	α-helix	trans	-60.5	-45.9	173	-73.8	165.3	0	0	0	110.5	G329 V330 L331 C336 S337 P346 M350	G329-I333 WeakPolarHBondContact O-CB 3.42Å; G329-I333 WeakPolarHBondContact O-CD1 3.3Å; G329-I333 VanDerWaalsContact O-CG1 3.26Å; G329-I333 WeakPolarHBondContact O-CG1 3.42Å; G329-I333 PolarHBondContact O-N 3Å; V330-I333 WeakPolarHBondContact O-CB 3.02Å; V330-I333 PolarHBondContact O-N 3.23Å; L331-I333 VanDerWaalsContact C-N 3.34Å; L331-I333 PolarHBondContact O-N 2.96Å; I333-C336 PolarHBondContact O-N 3.44Å; I333-S337 PolarHBondContact O-N 3.41Å; I333-S337 VanDerWaalsContact O-N 3.12Å; I333-P346 HydrophobicContact CG2-CB 3.77Å; I333-M350 HydrophobicContact CG1-CB 4.44Å
334	L	90.1	Very high	89.4	Confident	108 Å²	108	40.6 Å²	40.6	57%	0.565	22%	0.221	S	C	*	.	H	α-helix	trans	-64.3	-45.3	178.8	-69.1	170.6	0	0	0	111.8	V330 L331 C336 S337	V330-L334 HydrophobicContact CG1-CD1 4.04Å; V330-L334 VanDerWaalsContact O-CG 3.3Å; V330-L334 WeakPolarHBondContact O-CG 3.35Å; V330-L334 PolarHBondContact O-N 3.46Å; L331-L334 HydrophobicContact CD1-CD1 4.23Å; L331-L334 PolarHBondContact O-N 2.94Å; L334-C336 VanDerWaalsContact C-N 3.28Å; L334-C336 PolarHBondContact O-N 3.46Å; L334-S337 WeakPolarHBondContact O-CB 3.19Å; L334-S337 PolarHBondContact O-N 3.39Å; L334-S337 VanDerWaalsContact O-N 3.1Å
335	C	89.1	Confident	89.2	Confident	7 Å²	7	40.9 Å²	40.9	5%	0.047	22%	0.222	C	C	.	.	H	α-helix	trans	-63.5	-31.4	176.8	-71.4	0	0	0	0	113	L331 A332 S337 F394 H528 Q848	L331-C335 WeakPolarHBondContact O-CB 3.37Å; L331-C335 PolarHBondContact O-N 3.31Å; L331-C335 PolarHBondContact O-SG 2.88Å; L331-C335 VanDerWaalsContact O-SG 3.34Å; A332-C335 PolarHBondContact O-N 3.28Å; C335-S337 VanDerWaalsContact C-N 3.33Å; C335-F394 HydrophobicContact CB-CE1 4.06Å; C335-F394 HydrophobicContact CB-CZ 4.19Å; C335-H528 PolarHBondContact O-NE2 2.97Å; C335-H528 VanDerWaalsContact O-NE2 3.08Å; C335-Q848 HydrophobicContact CB-CB 4.36Å; C335-Q848 HydrophobicContact CB-CG 4.11Å; C335-Q848 PolarHBondContact O-NE2 3.39Å
336	C	89.4	Confident	89	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.007	20%	0.2	C	C	.	.	H	α-helix	trans	-83.6	-8.8	176.1	-70.3	0	0	0	0	113.7	A332 I333 L334 K345 G349 L397 R401	A332-C336 WeakPolarHBondContact O-CB 3.42Å; A332-C336 PolarHBondContact O-N 3.36Å; A332-C336 PolarHBondContact O-SG 3.09Å; A332-C336 VanDerWaalsContact O-SG 3.34Å; I333-C336 PolarHBondContact O-N 3.44Å; L334-C336 VanDerWaalsContact C-N 3.28Å; L334-C336 PolarHBondContact O-N 3.46Å; C336-K345 VanDerWaalsContact CB-O 3.27Å; C336-K345 WeakPolarHBondContact CB-O 3.39Å; C336-K345 PolarHBondContact O-N 3.15Å; C336-K345 VanDerWaalsContact O-N 3.14Å; C336-G349 VanDerWaalsContact SG-CA 3.59Å; C336-L397 HydrophobicContact CB-CD2 4.09Å; C336-L397 WeakPolarHBondContact SG-CD2 3.44Å; C336-R401 PolarHBondContact O-NH2 2.97Å
337	S	88.2	Confident	88.8	Confident	45 Å²	45	40.4 Å²	40.4	32%	0.315	20%	0.201	S	C	.	.			trans	-83.4	146.9	-179	-156.2	0	0	0	0	112.2	I333 L334 C335 S344 H528	I333-S337 PolarHBondContact O-N 3.41Å; I333-S337 VanDerWaalsContact O-N 3.12Å; L334-S337 WeakPolarHBondContact O-CB 3.19Å; L334-S337 PolarHBondContact O-N 3.39Å; L334-S337 VanDerWaalsContact O-N 3.1Å; C335-S337 VanDerWaalsContact C-N 3.33Å; S337-S344 WeakPolarHBondContact CA-OG 3.49Å; S337-S344 PolarHBondContact OG-OG 3.01Å; S337-S344 VanDerWaalsContact OG-OG 3.1Å; S337-H528 PolarHBondContact O-CD2 3.47Å
338	M	83.4	Confident	88.7	Confident	28 Å²	28	37.3 Å²	37.3	14%	0.138	18%	0.183	C	C	.	.			trans	-133.9	160	174.9	-68.2	-163.1	-71.5	0	0	110.2	D340 R343 S344 R401 H528	M338-D340 PolarHBondContact O-N 3.2Å; M338-R343 VanDerWaalsContact CE-C 3.42Å; M338-R343 HydrophobicContact CE-CB 3.34Å; M338-R343 WeakPolarHBondContact CE-O 3.44Å; M338-S344 PolarHBondContact N-OG 3.01Å; M338-S344 VanDerWaalsContact N-OG 3.14Å; M338-R401 HydrophobicContact CE-CG 4.2Å; M338-H528 HydrophobicContact CG-CB 4.05Å; M338-H528 HydrophobicContact SD-CB 4.07Å
339	R	77.8	Confident	88.6	Confident	184 Å²	184	37.3 Å²	37.3	69%	0.694	18%	0.183	S	C	*	.	S	Bend	trans	-62.5	-32	175.8	-174.1	176.2	178.2	166.8	0	112.6	C341 Y511 C527	R339-C341 PolarHBondContact O-N 3.06Å; R339-Y511 HydrophobicContact CG-CD1 4.2Å; R339-Y511 HydrophobicContact CG-CE1 4.4Å; R339-C527 HydrophobicContact CB-CB 4.12Å; R339-C527 WeakPolarHBondContact CB-O 3.48Å; R339-C527 PolarHBondContact N-O 2.64Å; R339-C527 VanDerWaalsContact N-O 3.11Å
340	D	81.9	Confident	88.5	Confident	8 Å²	8	40.8 Å²	40.8	4%	0.043	20%	0.196	C	C	.	.	S	Bend	trans	-77.2	116.6	172	-169.6	-35.2	0	0	0	110.2	M338 V342 R343 S344 T512 R513	M338-D340 PolarHBondContact O-N 3.2Å; D340-V342 VanDerWaalsContact C-N 3.28Å; D340-V342 PolarHBondContact O-N 2.92Å; D340-V342 PolarHBondContact OD1-N 3.19Å; D340-R343 HydrophobicContact CB-CB 4.23Å; D340-R343 HydrophobicContact CB-CG 4.46Å; D340-R343 PolarHBondContact O-N 3.48Å; D340-S344 VanDerWaalsContact O-CB 3.23Å; D340-S344 WeakPolarHBondContact O-CB 3.39Å; D340-S344 PolarHBondContact O-N 3.44Å; D340-T512 WeakPolarHBondContact OD1-CA 3.45Å; D340-T512 WeakPolarHBondContact OD1-CB 3.47Å; D340-T512 PolarHBondContact OD1-OG1 3.48Å; D340-T512 PolarHBondContact OD2-OG1 2.77Å; D340-R513 PolarHBondContact OD2-N 3.24Å
341	C	82.6	Confident	88.6	Confident	7 Å²	7	38.5 Å²	38.5	5%	0.047	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-22.6	-174.8	72.3	0	0	0	0	114.1	R339 G487 M510 Y511	R339-C341 PolarHBondContact O-N 3.06Å; C341-G487 PolarHBondContact O-N 3.44Å; C341-M510 VanDerWaalsContact SG-C 3.57Å; C341-Y511 WeakPolarHBondContact CB-O 3.46Å; C341-Y511 PolarHBondContact N-O 2.91Å; C341-Y511 PolarHBondContact SG-O 3.43Å
342	V	84.7	Confident	88.7	Confident	9 Å²	9	36.5 Å²	36.5	6%	0.055	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-40	178.1	176.7	0	0	0	0	110.8	D340 E481 Y484 V493 T512	D340-V342 VanDerWaalsContact C-N 3.28Å; D340-V342 PolarHBondContact O-N 2.92Å; D340-V342 PolarHBondContact OD1-N 3.19Å; V342-E481 HydrophobicContact CG1-CG 4.22Å; V342-Y484 HydrophobicContact CG1-CD1 4.45Å; V342-Y484 HydrophobicContact CG2-CD1 4.4Å; V342-V493 HydrophobicContact CG2-CB 4.34Å; V342-V493 HydrophobicContact CG2-CG2 3.7Å; V342-T512 HydrophobicContact CG2-CG2 4.29Å; V342-T512 WeakPolarHBondContact CG2-OG1 3.24Å
343	R	83.5	Confident	88.7	Confident	47 Å²	47	37.5 Å²	37.5	18%	0.177	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-19.4	178.8	-61.7	-177.9	166.3	-171.8	1.6	113.2	M338 D340 K345 E405 P524	M338-R343 VanDerWaalsContact CE-C 3.42Å; M338-R343 HydrophobicContact CE-CB 3.34Å; M338-R343 WeakPolarHBondContact CE-O 3.44Å; D340-R343 HydrophobicContact CB-CB 4.23Å; D340-R343 HydrophobicContact CB-CG 4.46Å; D340-R343 PolarHBondContact O-N 3.48Å; R343-K345 PolarHBondContact O-N 3.12Å; R343-E405 IonicContact CZ-OE1 3.91Å; R343-E405 IonicContact CZ-OE2 3.09Å; R343-E405 IonicContact NE-OE1 3.46Å; R343-E405 PolarHBondContact NE-OE1 3.14Å; R343-E405 IonicContact NH2-OE1 3.68Å; R343-E405 PolarHBondContact NH2-OE1 2.7Å; R343-E405 IonicContact NH2-OE2 2.79Å; R343-E405 PolarHBondContact NH2-OE2 2.89Å; R343-P524 PolarHBondContact NH1-O 3.09Å
344	S	86.5	Confident	88.8	Confident	5 Å²	5	38.7 Å²	38.7	4%	0.035	18%	0.182	C	C	.	.			trans	-60.9	129.8	175	-171.4	0	0	0	0	110.7	S337 M338 D340 P346 G487	S337-S344 WeakPolarHBondContact CA-OG 3.49Å; S337-S344 PolarHBondContact OG-OG 3.01Å; S337-S344 VanDerWaalsContact OG-OG 3.1Å; M338-S344 PolarHBondContact N-OG 3.01Å; M338-S344 VanDerWaalsContact N-OG 3.14Å; D340-S344 VanDerWaalsContact O-CB 3.23Å; D340-S344 WeakPolarHBondContact O-CB 3.39Å; D340-S344 PolarHBondContact O-N 3.44Å; S344-P346 WeakPolarHBondContact O-CD 3.34Å; S344-G487 VanDerWaalsContact O-CA 3.32Å; S344-G487 WeakPolarHBondContact O-CA 3.35Å
345	K	89.6	Confident	89.1	Confident	10 Å²	10	33.6 Å²	33.6	4%	0.043	16%	0.156	C	C	.	.			trans	-127.7	55.7	-177.7	-66.5	-178.2	-167.8	-90.8	0	112.3	C336 R343 W347 L348 L397 T477 E481	C336-K345 VanDerWaalsContact CB-O 3.27Å; C336-K345 WeakPolarHBondContact CB-O 3.39Å; C336-K345 PolarHBondContact O-N 3.15Å; C336-K345 VanDerWaalsContact O-N 3.14Å; R343-K345 PolarHBondContact O-N 3.12Å; K345-W347 VanDerWaalsContact C-N 3.3Å; K345-W347 PolarHBondContact O-N 3.43Å; K345-L348 HydrophobicContact CB-CB 4.06Å; K345-L348 HydrophobicContact CD-CD2 4.28Å; K345-L348 VanDerWaalsContact O-CB 3.28Å; K345-L348 WeakPolarHBondContact O-CB 3.43Å; K345-L348 PolarHBondContact O-N 3.06Å; K345-L397 HydrophobicContact CD-CD1 3.98Å; K345-T477 VanDerWaalsContact NZ-C 3.31Å; K345-T477 PolarHBondContact NZ-O 3.34Å; K345-E481 WeakPolarHBondContact CE-OE2 3.36Å; K345-E481 IonicContact NZ-OE2 2.68Å; K345-E481 PolarHBondContact NZ-OE2 3.27Å
346	P	89.3	Confident	89.4	Confident	7 Å²	7	33.9 Å²	33.9	5%	0.045	16%	0.158	C	C	.	.	H	α-helix	trans	-58.1	-40.6	-172.9	22.3	-32.2	0	0	0	113	I333 S344 L348 G349 C488	I333-P346 HydrophobicContact CG2-CB 3.77Å; S344-P346 WeakPolarHBondContact O-CD 3.34Å; P346-L348 PolarHBondContact O-N 2.99Å; P346-G349 PolarHBondContact O-N 3.45Å; P346-G349 VanDerWaalsContact O-N 3.16Å; P346-C488 HydrophobicContact CG-CB 4.46Å; P346-C488 VanDerWaalsContact CG-SG 3.55Å
347	W	90.7	Very high	89.7	Confident	119 Å²	119	36.7 Å²	36.7	45%	0.451	18%	0.181	S	C	.	.	H	α-helix	trans	-63.4	-25.8	179.1	-63.3	121.2	0	0	0	113.6	K345 G349 M350 L351 G487 C488	K345-W347 VanDerWaalsContact C-N 3.3Å; K345-W347 PolarHBondContact O-N 3.43Å; W347-G349 VanDerWaalsContact C-N 3.27Å; W347-G349 PolarHBondContact O-N 2.93Å; W347-M350 HydrophobicContact CE3-CE 3.43Å; W347-M350 VanDerWaalsContact CE3-CE 3.43Å; W347-M350 HydrophobicContact CE3-SD 4.04Å; W347-M350 HydrophobicContact CZ3-CE 3.56Å; W347-M350 HydrophobicContact CZ3-SD 3.87Å; W347-M350 PolarHBondContact O-N 2.82Å; W347-L351 WeakPolarHBondContact O-CB 3.45Å; W347-L351 VanDerWaalsContact O-CG 3.28Å; W347-L351 WeakPolarHBondContact O-CG 3.27Å; W347-L351 PolarHBondContact O-N 3.04Å; W347-G487 VanDerWaalsContact CD1-O 3.25Å; W347-C488 PolarHBondContact NE1-O 2.75Å
348	L	92.8	Very high	90.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.8	-32.6	178.2	-164.7	70.4	0	0	0	111.5	K345 P346 L351 A352 L397 Y470 C473 L474 T477	K345-L348 HydrophobicContact CB-CB 4.06Å; K345-L348 HydrophobicContact CD-CD2 4.28Å; K345-L348 VanDerWaalsContact O-CB 3.28Å; K345-L348 WeakPolarHBondContact O-CB 3.43Å; K345-L348 PolarHBondContact O-N 3.06Å; P346-L348 PolarHBondContact O-N 2.99Å; L348-L351 PolarHBondContact O-N 3.14Å; L348-A352 PolarHBondContact O-N 3.34Å; L348-L397 HydrophobicContact CD2-CB 4.41Å; L348-L397 HydrophobicContact CD2-CD1 3.83Å; L348-L397 HydrophobicContact CD2-CD2 4.37Å; L348-L397 HydrophobicContact CD2-CG 4.42Å; L348-Y470 HydrophobicContact CD1-CE2 3.89Å; L348-Y470 WeakPolarHBondContact CD2-OH 3.5Å; L348-Y470 HydrophobicContact CG-CE2 3.87Å; L348-C473 HydrophobicContact CD1-CB 3.97Å; L348-L474 HydrophobicContact CD2-CD1 3.85Å; L348-T477 HydrophobicContact CD1-CG2 4.28Å
349	G	91.9	Very high	90.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.8	-39.6	173.3	0	0	0	0	0	112.9	C336 P346 W347 A352 L353	C336-G349 VanDerWaalsContact SG-CA 3.59Å; P346-G349 PolarHBondContact O-N 3.45Å; P346-G349 VanDerWaalsContact O-N 3.16Å; W347-G349 VanDerWaalsContact C-N 3.27Å; W347-G349 PolarHBondContact O-N 2.93Å; G349-A352 WeakPolarHBondContact O-CB 3.19Å; G349-A352 PolarHBondContact O-N 2.97Å; G349-L353 PolarHBondContact O-N 3.38Å
350	M	93.1	Very high	91.5	Very high	84 Å²	84	26.3 Å²	26.3	41%	0.414	14%	0.14	S	C	.	.	H	α-helix	trans	-69.5	-39.4	174.7	-171.1	179.4	75.9	0	0	111.8	I333 W347 A352 L353 L354	I333-M350 HydrophobicContact CG1-CB 4.44Å; W347-M350 HydrophobicContact CE3-CE 3.43Å; W347-M350 VanDerWaalsContact CE3-CE 3.43Å; W347-M350 HydrophobicContact CE3-SD 4.04Å; W347-M350 HydrophobicContact CZ3-CE 3.56Å; W347-M350 HydrophobicContact CZ3-SD 3.87Å; W347-M350 PolarHBondContact O-N 2.82Å; M350-A352 VanDerWaalsContact C-N 3.3Å; M350-A352 PolarHBondContact O-N 3.2Å; M350-L353 PolarHBondContact O-N 3.41Å; M350-L354 PolarHBondContact O-N 3.38Å
351	L	95.3	Very high	92.1	Very high	42 Å²	42	28.8 Å²	28.8	22%	0.22	15%	0.153	C	C	.	.	H	α-helix	trans	-67.4	-29.5	176.1	-69.2	168.7	0	0	0	112.3	W347 L348 L354 S355 F469 C473	W347-L351 WeakPolarHBondContact O-CB 3.45Å; W347-L351 VanDerWaalsContact O-CG 3.28Å; W347-L351 WeakPolarHBondContact O-CG 3.27Å; W347-L351 PolarHBondContact O-N 3.04Å; L348-L351 PolarHBondContact O-N 3.14Å; L351-L354 HydrophobicContact CD2-CD2 4.12Å; L351-L354 PolarHBondContact O-N 3.42Å; L351-S355 WeakPolarHBondContact O-CB 3.43Å; L351-S355 PolarHBondContact O-N 3.23Å; L351-F469 HydrophobicContact CD2-CZ 4.41Å; L351-C473 HydrophobicContact CB-CB 4.44Å; L351-C473 HydrophobicContact CD1-CB 3.94Å
352	A	95.1	Very high	92.8	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.008	15%	0.152	C	C	.	.	H	α-helix	trans	-60.6	-48.4	169.8	0	0	0	0	0	111.3	L348 G349 M350 L354 S355 V356 L390 S393 Y470	L348-A352 PolarHBondContact O-N 3.34Å; G349-A352 WeakPolarHBondContact O-CB 3.19Å; G349-A352 PolarHBondContact O-N 2.97Å; M350-A352 VanDerWaalsContact C-N 3.3Å; M350-A352 PolarHBondContact O-N 3.2Å; A352-L354 VanDerWaalsContact C-N 3.34Å; A352-L354 PolarHBondContact O-N 2.95Å; A352-S355 VanDerWaalsContact O-CB 3.29Å; A352-S355 WeakPolarHBondContact O-CB 3.29Å; A352-S355 PolarHBondContact O-N 3.49Å; A352-V356 WeakPolarHBondContact O-CG2 3.38Å; A352-V356 PolarHBondContact O-N 2.81Å; A352-V356 VanDerWaalsContact O-N 3.07Å; A352-L390 HydrophobicContact CB-CD2 4.1Å; A352-S393 WeakPolarHBondContact CB-OG 3.38Å; A352-Y470 HydrophobicContact CB-CD2 4.21Å; A352-Y470 HydrophobicContact CB-CE2 3.72Å
353	L	95.2	Very high	93.3	Very high	22 Å²	22	28.3 Å²	28.3	12%	0.115	15%	0.151	C	C	.	.	H	α-helix	trans	-64.7	-38.5	176.4	-68.9	174.4	0	0	0	112.5	C328 A332 G349 M350 S355 V356 A357 L386 L390	C328-L353 HydrophobicContact CB-CD1 4.46Å; A332-L353 HydrophobicContact CB-CD1 4.38Å; G349-L353 PolarHBondContact O-N 3.38Å; M350-L353 PolarHBondContact O-N 3.41Å; L353-S355 VanDerWaalsContact C-N 3.32Å; L353-S355 PolarHBondContact O-N 3.08Å; L353-V356 PolarHBondContact O-N 2.8Å; L353-A357 WeakPolarHBondContact O-CB 3.41Å; L353-A357 PolarHBondContact O-N 3.33Å; L353-L386 HydrophobicContact CD2-CD1 4.24Å; L353-L390 HydrophobicContact CD2-CD1 4.23Å; L353-L390 HydrophobicContact CD2-CD2 3.83Å; L353-L390 HydrophobicContact CD2-CG 4.29Å; L353-L390 HydrophobicContact CG-CD2 4.27Å
354	L	95.6	Very high	93.8	Very high	78 Å²	78	27.4 Å²	27.4	41%	0.408	15%	0.154	S	C	.	.	H	α-helix	trans	-61.9	-41.6	173.5	-177.8	60.5	0	0	0	111.2	M350 L351 A352 V356 A357 L358 F469	M350-L354 PolarHBondContact O-N 3.38Å; L351-L354 HydrophobicContact CD2-CD2 4.12Å; L351-L354 PolarHBondContact O-N 3.42Å; A352-L354 VanDerWaalsContact C-N 3.34Å; A352-L354 PolarHBondContact O-N 2.95Å; L354-V356 VanDerWaalsContact C-N 3.33Å; L354-V356 PolarHBondContact O-N 3.5Å; L354-A357 PolarHBondContact O-N 3.2Å; L354-L358 HydrophobicContact CD1-CD1 4.2Å; L354-L358 HydrophobicContact CD1-CD2 4.48Å; L354-L358 HydrophobicContact CD1-CG 4.04Å; L354-L358 HydrophobicContact CG-CD1 3.91Å; L354-L358 HydrophobicContact CG-CG 4.23Å; L354-L358 WeakPolarHBondContact O-CB 3.47Å; L354-L358 VanDerWaalsContact O-CG 3.23Å; L354-L358 WeakPolarHBondContact O-CG 3.47Å; L354-L358 PolarHBondContact O-N 3.35Å; L354-F469 HydrophobicContact CD2-CZ 3.99Å; L354-F469 HydrophobicContact CG-CE1 4.45Å; L354-F469 HydrophobicContact CG-CZ 4.31Å
355	S	95.9	Very high	94.2	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.007	15%	0.152	C	C	.	.	H	α-helix	trans	-57.8	-45.6	175.4	-169.3	0	0	0	0	111.7	L351 A352 L353 L358 S359	L351-S355 WeakPolarHBondContact O-CB 3.43Å; L351-S355 PolarHBondContact O-N 3.23Å; A352-S355 VanDerWaalsContact O-CB 3.29Å; A352-S355 WeakPolarHBondContact O-CB 3.29Å; A352-S355 PolarHBondContact O-N 3.49Å; L353-S355 VanDerWaalsContact C-N 3.32Å; L353-S355 PolarHBondContact O-N 3.08Å; S355-L358 PolarHBondContact O-N 3.31Å; S355-S359 WeakPolarHBondContact O-CB 3.33Å; S355-S359 PolarHBondContact O-N 3.39Å; S355-S359 PolarHBondContact O-OG 2.87Å
356	V	95.9	Very high	94.4	Very high	14 Å²	14	29.4 Å²	29.4	9%	0.085	16%	0.164	C	C	.	.	H	α-helix	trans	-65.7	-40.5	176.9	175.8	0	0	0	0	111.6	A352 L353 L354 S359 G360 M385	A352-V356 WeakPolarHBondContact O-CG2 3.38Å; A352-V356 PolarHBondContact O-N 2.81Å; A352-V356 VanDerWaalsContact O-N 3.07Å; L353-V356 PolarHBondContact O-N 2.8Å; L354-V356 VanDerWaalsContact C-N 3.33Å; L354-V356 PolarHBondContact O-N 3.5Å; V356-S359 PolarHBondContact O-OG 2.74Å; V356-G360 PolarHBondContact O-N 3.44Å; V356-M385 HydrophobicContact CG1-CB 3.79Å; V356-M385 HydrophobicContact CG1-CE 4.42Å
357	A	95.1	Very high	94.5	Very high	60 Å²	60	30 Å²	30	50%	0.496	17%	0.167	S	C	.	.	H	α-helix	trans	-66.8	-42.8	177.6	0	0	0	0	0	112	L353 L354 G360 L361	L353-A357 WeakPolarHBondContact O-CB 3.41Å; L353-A357 PolarHBondContact O-N 3.33Å; L354-A357 PolarHBondContact O-N 3.2Å; A357-G360 PolarHBondContact O-N 3.4Å; A357-L361 WeakPolarHBondContact O-CB 3.47Å; A357-L361 PolarHBondContact O-N 3.03Å
358	L	96	Very high	94.6	Very high	18 Å²	18	25.1 Å²	25.1	9%	0.094	15%	0.149	C	C	.	.	H	α-helix	trans	-65.6	-41.9	177.3	-67.9	170.7	0	0	0	111.1	V63 A66 L354 S355 G360 L361 T362 Y465 F469	V63-L358 HydrophobicContact CG2-CD1 3.86Å; A66-L358 HydrophobicContact CB-CB 4.16Å; A66-L358 HydrophobicContact CB-CD2 3.8Å; L354-L358 HydrophobicContact CD1-CD1 4.2Å; L354-L358 HydrophobicContact CD1-CD2 4.48Å; L354-L358 HydrophobicContact CD1-CG 4.04Å; L354-L358 HydrophobicContact CG-CD1 3.91Å; L354-L358 HydrophobicContact CG-CG 4.23Å; L354-L358 WeakPolarHBondContact O-CB 3.47Å; L354-L358 VanDerWaalsContact O-CG 3.23Å; L354-L358 WeakPolarHBondContact O-CG 3.47Å; L354-L358 PolarHBondContact O-N 3.35Å; S355-L358 PolarHBondContact O-N 3.31Å; L358-G360 VanDerWaalsContact C-N 3.32Å; L358-G360 PolarHBondContact O-N 3.14Å; L358-L361 PolarHBondContact O-N 2.93Å; L358-T362 WeakPolarHBondContact O-CB 3.3Å; L358-T362 PolarHBondContact O-N 2.85Å; L358-T362 PolarHBondContact O-OG1 3.3Å; L358-Y465 HydrophobicContact CB-CD2 4.05Å; L358-Y465 HydrophobicContact CB-CE2 3.75Å; L358-F469 HydrophobicContact CD1-CE1 4.31Å; L358-F469 HydrophobicContact CD1-CE2 4.23Å; L358-F469 HydrophobicContact CD1-CZ 4.09Å
359	S	96.4	Very high	94.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.6	-38.5	176.7	66.1	0	0	0	0	111.9	S355 V356 T362 A363 M385	S355-S359 WeakPolarHBondContact O-CB 3.33Å; S355-S359 PolarHBondContact O-N 3.39Å; S355-S359 PolarHBondContact O-OG 2.87Å; V356-S359 PolarHBondContact O-OG 2.74Å; S359-T362 PolarHBondContact O-N 3.4Å; S359-A363 WeakPolarHBondContact O-CB 3.39Å; S359-A363 PolarHBondContact O-N 3.28Å; S359-M385 WeakPolarHBondContact OG-CE 3.46Å
360	G	94.4	Very high	94.6	Very high	20 Å²	20	34.1 Å²	34.1	21%	0.206	20%	0.201	C	C	.	.	H	α-helix	trans	-64.8	-41.7	174.1	0	0	0	0	0	112.6	V356 A357 L358 A363 A364	V356-G360 PolarHBondContact O-N 3.44Å; A357-G360 PolarHBondContact O-N 3.4Å; L358-G360 VanDerWaalsContact C-N 3.32Å; L358-G360 PolarHBondContact O-N 3.14Å; G360-A363 PolarHBondContact O-N 3.15Å; G360-A364 WeakPolarHBondContact O-CB 3.29Å; G360-A364 PolarHBondContact O-N 2.77Å
361	L	95.1	Very high	94.3	Very high	60 Å²	60	32.2 Å²	32.2	31%	0.314	20%	0.202	S	C	.	.	H	α-helix	trans	-62.7	-45.1	176	-176.3	65.6	0	0	0	111.4	A66 F73 A357 L358 A364 G365	A66-L361 HydrophobicContact CB-CD2 4.35Å; A66-L361 WeakPolarHBondContact O-CD2 3.32Å; F73-L361 HydrophobicContact CD2-CD1 4.28Å; F73-L361 HydrophobicContact CE2-CD1 3.66Å; F73-L361 HydrophobicContact CZ-CD1 4.35Å; A357-L361 WeakPolarHBondContact O-CB 3.47Å; A357-L361 PolarHBondContact O-N 3.03Å; L358-L361 PolarHBondContact O-N 2.93Å; L361-A364 PolarHBondContact O-N 3.16Å; L361-G365 PolarHBondContact O-N 3.49Å
362	T	96.6	Very high	93.9	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.018	20%	0.198	C	C	.	.	H	α-helix	trans	-61.1	-45.5	175.4	-60.7	0	0	0	0	111.4	L65 A66 L69 L358 S359 G365 I366 I461 Y465	L65-T362 HydrophobicContact CD2-CG2 4.44Å; L65-T362 HydrophobicContact CG-CG2 4.42Å; A66-T362 VanDerWaalsContact CA-OG1 3.22Å; A66-T362 WeakPolarHBondContact CA-OG1 3.26Å; A66-T362 VanDerWaalsContact CB-OG1 3.27Å; A66-T362 WeakPolarHBondContact CB-OG1 3.46Å; L69-T362 HydrophobicContact CD1-CG2 3.57Å; L358-T362 WeakPolarHBondContact O-CB 3.3Å; L358-T362 PolarHBondContact O-N 2.85Å; L358-T362 PolarHBondContact O-OG1 3.3Å; S359-T362 PolarHBondContact O-N 3.4Å; T362-G365 PolarHBondContact O-N 3.09Å; T362-I366 HydrophobicContact CG2-CD1 4.29Å; T362-I366 WeakPolarHBondContact O-CG1 3.48Å; T362-I366 PolarHBondContact O-N 2.88Å; T362-I461 HydrophobicContact CG2-CD1 4.1Å; T362-I461 HydrophobicContact CG2-CG2 3.85Å; T362-Y465 PolarHBondContact OG1-OH 3.04Å
363	A	95.8	Very high	93.6	Very high	3 Å²	3	32.5 Å²	32.5	3%	0.025	21%	0.207	C	C	.	.	H	α-helix	trans	-62.3	-48.4	177.9	0	0	0	0	0	112.2	S359 G360 G365 I366 L367 L457 A458 I461	S359-A363 WeakPolarHBondContact O-CB 3.39Å; S359-A363 PolarHBondContact O-N 3.28Å; G360-A363 PolarHBondContact O-N 3.15Å; A363-G365 VanDerWaalsContact C-N 3.28Å; A363-G365 PolarHBondContact O-N 2.88Å; A363-I366 PolarHBondContact O-N 3.17Å; A363-L367 VanDerWaalsContact O-CG 3.31Å; A363-L367 WeakPolarHBondContact O-CG 3.24Å; A363-L367 PolarHBondContact O-N 3.36Å; A363-L367 VanDerWaalsContact O-N 3.09Å; A363-L457 HydrophobicContact CB-CG 4.35Å; A363-A458 HydrophobicContact CB-CB 3.85Å; A363-I461 HydrophobicContact CB-CD1 3.78Å
364	A	93.4	Very high	93.3	Very high	29 Å²	29	34 Å²	34	24%	0.24	21%	0.212	C	C	.	.	H	α-helix	trans	-61.9	-38.2	175.2	0	0	0	0	0	111.6	F73 G360 L361 L367 N368	F73-A364 HydrophobicContact CE2-CB 3.87Å; F73-A364 HydrophobicContact CZ-CB 3.63Å; G360-A364 WeakPolarHBondContact O-CB 3.29Å; G360-A364 PolarHBondContact O-N 2.77Å; L361-A364 PolarHBondContact O-N 3.16Å; A364-L367 PolarHBondContact O-N 2.89Å; A364-N368 WeakPolarHBondContact O-CB 3.36Å; A364-N368 VanDerWaalsContact O-CG 3.23Å; A364-N368 PolarHBondContact O-N 3.19Å; A364-N368 PolarHBondContact O-ND2 3.35Å
365	G	94.6	Very high	92.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-45.1	176.8	0	0	0	0	0	112.9	L69 S72 L361 T362 A363 N368 L369	L69-G365 VanDerWaalsContact O-CA 3.24Å; L69-G365 WeakPolarHBondContact O-CA 3.49Å; S72-G365 VanDerWaalsContact OG-CA 3.23Å; S72-G365 WeakPolarHBondContact OG-CA 3.44Å; S72-G365 PolarHBondContact OG-O 3.19Å; L361-G365 PolarHBondContact O-N 3.49Å; T362-G365 PolarHBondContact O-N 3.09Å; A363-G365 VanDerWaalsContact C-N 3.28Å; A363-G365 PolarHBondContact O-N 2.88Å; G365-N368 PolarHBondContact O-N 3.17Å; G365-L369 WeakPolarHBondContact O-CG 3.42Å; G365-L369 PolarHBondContact O-N 3.43Å; G365-L369 VanDerWaalsContact O-N 3.14Å
366	I	94.6	Very high	92.6	Very high	56 Å²	56	30.2 Å²	30.2	29%	0.287	19%	0.192	S	C	.	.	H	α-helix	trans	-63.6	-42.9	175.2	-67.6	164.8	0	0	0	111	L69 T362 A363 L369 T370 L457 I461	L69-I366 HydrophobicContact CD1-CD1 4.25Å; L69-I366 HydrophobicContact CD1-CG1 3.92Å; L69-I366 HydrophobicContact CD2-CG1 4.29Å; T362-I366 HydrophobicContact CG2-CD1 4.29Å; T362-I366 WeakPolarHBondContact O-CG1 3.48Å; T362-I366 PolarHBondContact O-N 2.88Å; A363-I366 PolarHBondContact O-N 3.17Å; I366-L369 PolarHBondContact O-N 2.98Å; I366-T370 WeakPolarHBondContact O-CG2 3.37Å; I366-T370 PolarHBondContact O-N 3Å; I366-T370 PolarHBondContact O-OG1 3.17Å; I366-L457 HydrophobicContact CB-CD2 4.19Å; I366-L457 HydrophobicContact CG2-CD2 3.99Å; I366-I461 HydrophobicContact CD1-CD1 3.68Å
367	L	92	Very high	92.2	Very high	21 Å²	21	29.9 Å²	29.9	11%	0.11	19%	0.19	C	C	.	.	H	α-helix	trans	-65.1	-40.3	179.5	-69.5	167.7	0	0	0	112.6	A363 A364 L369 T370 G371 A372 N454 L457	A363-L367 VanDerWaalsContact O-CG 3.31Å; A363-L367 WeakPolarHBondContact O-CG 3.24Å; A363-L367 PolarHBondContact O-N 3.36Å; A363-L367 VanDerWaalsContact O-N 3.09Å; A364-L367 PolarHBondContact O-N 2.89Å; L367-L369 VanDerWaalsContact C-N 3.29Å; L367-L369 PolarHBondContact O-N 3.41Å; L367-T370 WeakPolarHBondContact CA-OG1 3.44Å; L367-T370 PolarHBondContact O-N 3.12Å; L367-T370 PolarHBondContact O-OG1 2.68Å; L367-G371 PolarHBondContact O-N 2.97Å; L367-A372 HydrophobicContact CB-CB 4.1Å; L367-A372 HydrophobicContact CD2-CB 4.4Å; L367-A372 VanDerWaalsContact O-CB 3.31Å; L367-A372 WeakPolarHBondContact O-CB 3.33Å; L367-A372 PolarHBondContact O-N 3.36Å; L367-N454 HydrophobicContact CD1-CB 3.72Å; L367-N454 VanDerWaalsContact CD1-OD1 3.31Å; L367-N454 WeakPolarHBondContact CD1-OD1 3.36Å; L367-N454 VanDerWaalsContact CD2-OD1 3.22Å; L367-N454 WeakPolarHBondContact CD2-OD1 3.17Å; L367-L457 HydrophobicContact CD1-CD2 4.34Å; L367-L457 HydrophobicContact CD2-CD2 3.95Å; L367-L457 HydrophobicContact CG-CD2 3.81Å
368	N	92.3	Very high	92	Very high	15 Å²	15	28 Å²	28	8%	0.08	17%	0.17	C	C	.	.	H	α-helix	trans	-64.6	-35.6	175	-70.6	-24.4	0	0	0	111.5	S72 A364 G365 G371	S72-N368 WeakPolarHBondContact OG-CB 3.19Å; A364-N368 WeakPolarHBondContact O-CB 3.36Å; A364-N368 VanDerWaalsContact O-CG 3.23Å; A364-N368 PolarHBondContact O-N 3.19Å; A364-N368 PolarHBondContact O-ND2 3.35Å; G365-N368 PolarHBondContact O-N 3.17Å; N368-G371 PolarHBondContact O-N 3.49Å
369	L	92.4	Very high	91.8	Very high	87 Å²	87	27.7 Å²	27.7	46%	0.455	17%	0.169	S	C	.	.	H	α-helix	trans	-69.1	-33.8	175.7	-71.1	174	0	0	0	112.9	L69 G365 I366 L367 G371	L69-L369 HydrophobicContact CD2-CD1 3.56Å; G365-L369 WeakPolarHBondContact O-CG 3.42Å; G365-L369 PolarHBondContact O-N 3.43Å; G365-L369 VanDerWaalsContact O-N 3.14Å; I366-L369 PolarHBondContact O-N 2.98Å; L367-L369 VanDerWaalsContact C-N 3.29Å; L367-L369 PolarHBondContact O-N 3.41Å; L369-G371 PolarHBondContact O-N 3.41Å
370	T	90.9	Very high	91.5	Very high	103 Å²	103	27.8 Å²	27.8	63%	0.632	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-0.1	174.8	59.1	0	0	0	0	113.5	I366 L367	I366-T370 WeakPolarHBondContact O-CG2 3.37Å; I366-T370 PolarHBondContact O-N 3Å; I366-T370 PolarHBondContact O-OG1 3.17Å; L367-T370 WeakPolarHBondContact CA-OG1 3.44Å; L367-T370 PolarHBondContact O-N 3.12Å; L367-T370 PolarHBondContact O-OG1 2.68Å
371	G	87.9	Confident	91.5	Very high	43 Å²	43	27.8 Å²	27.8	44%	0.443	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	17.8	177.4	0	0	0	0	0	114.3	L367 N368 L369	L367-G371 PolarHBondContact O-N 2.97Å; N368-G371 PolarHBondContact O-N 3.49Å; L369-G371 PolarHBondContact O-N 3.41Å
372	A	87.8	Confident	91.4	Very high	15 Å²	15	28 Å²	28	12%	0.124	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-65.8	148	176.3	0	0	0	0	0	111.8	L367	L367-A372 HydrophobicContact CB-CB 4.1Å; L367-A372 HydrophobicContact CD2-CB 4.4Å; L367-A372 VanDerWaalsContact O-CB 3.31Å; L367-A372 WeakPolarHBondContact O-CB 3.33Å; L367-A372 PolarHBondContact O-N 3.36Å
373	T	88.3	Confident	91.2	Very high	35 Å²	35	28.2 Å²	28.2	22%	0.215	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	147.2	179.4	50.8	0	0	0	0	111.6	R77 E79 Y378	R77-T373 HydrophobicContact CB-CG2 4.09Å; R77-T373 CarbonylContact O-C 3.58Å; R77-T373 WeakPolarHBondContact O-CA 3.27Å; E79-T373 VanDerWaalsContact OE2-CB 3.32Å; E79-T373 WeakPolarHBondContact OE2-CB 3.12Å; E79-T373 PolarHBondContact OE2-OG1 2.96Å; T373-Y378 WeakPolarHBondContact O-CE2 3.43Å; T373-Y378 PolarHBondContact O-OH 2.95Å
374	Y	88.4	Confident	91	Very high	52 Å²	52	28.8 Å²	28.8	20%	0.204	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	135.9	175	179.6	-91.4	0	0	0	111.8	Y76 R77 E79 S314 Y378	Y76-Y374 VanDerWaalsContact CE2-CB 3.42Å; Y76-Y374 AromaticContact CE2-CD2 3.95Å; Y76-Y374 HydrophobicContact CE2-CD2 3.95Å; Y76-Y374 AromaticContact CE2-CG 3.72Å; Y76-Y374 HydrophobicContact CE2-CG 3.72Å; Y76-Y374 AromaticContact CZ-CG 3.7Å; Y76-Y374 WeakPolarHBondContact OH-CB 3.26Å; Y76-Y374 WeakPolarHBondContact OH-CD1 3.49Å; R77-Y374 PolarHBondContact O-N 2.9Å; E79-Y374 PolarHBondContact N-O 3.45Å; S314-Y374 PolarHBondContact OG-OH 3.09Å; Y374-Y378 AromaticContact CD2-CD2 3.74Å; Y374-Y378 HydrophobicContact CD2-CD2 3.74Å; Y374-Y378 HydrophobicContact CD2-CE2 4.49Å; Y374-Y378 HydrophobicContact CE2-CD2 4.1Å; Y374-Y378 HydrophobicContact CG-CD2 4.39Å
375	N	87.6	Confident	91.1	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.165	C	C	.	.			trans	-127.5	160.2	170.2	62.9	40.8	0	0	0	110.3	L85 T377 Y378	L85-N375 HydrophobicContact CD1-CB 3.87Å; N375-T377 VanDerWaalsContact C-N 3.26Å; N375-T377 PolarHBondContact O-N 2.85Å; N375-T377 PolarHBondContact OD1-N 2.97Å; N375-T377 PolarHBondContact OD1-OG1 3.44Å; N375-Y378 WeakPolarHBondContact ND2-CE1 3.39Å; N375-Y378 PolarHBondContact ND2-OH 3.47Å; N375-Y378 WeakPolarHBondContact O-CB 3.36Å; N375-Y378 PolarHBondContact O-N 3.48Å; N375-Y378 WeakPolarHBondContact OD1-CD1 3.32Å; N375-Y378 WeakPolarHBondContact OD1-CE1 3.22Å; N375-Y378 PolarHBondContact OD1-N 3.18Å
376	S	88.8	Confident	91	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-74.8	-11.9	-178.9	-69	0	0	0	0	113.9	F310 Q311 S314 Y378 L379	F310-S376 PolarHBondContact O-OG 3.44Å; Q311-S376 WeakPolarHBondContact CA-OG 3.44Å; Q311-S376 PolarHBondContact OE1-OG 3.34Å; S314-S376 WeakPolarHBondContact OG-CA 3.34Å; S314-S376 WeakPolarHBondContact OG-CB 3.33Å; S314-S376 PolarHBondContact OG-OG 2.8Å; S376-Y378 PolarHBondContact O-N 2.88Å; S376-L379 WeakPolarHBondContact O-CB 3.34Å; S376-L379 WeakPolarHBondContact O-CD1 3.21Å; S376-L379 VanDerWaalsContact O-CG 3.32Å; S376-L379 WeakPolarHBondContact O-CG 3.37Å; S376-L379 PolarHBondContact O-N 3.39Å
377	T	88	Confident	90.9	Very high	8 Å²	8	25.7 Å²	25.7	5%	0.049	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-68.4	-22.5	172.5	62.6	0	0	0	0	111.8	F310 N375 L379 G380 A447 F451	F310-T377 HydrophobicContact CZ-CG2 3.94Å; N375-T377 VanDerWaalsContact C-N 3.26Å; N375-T377 PolarHBondContact O-N 2.85Å; N375-T377 PolarHBondContact OD1-N 2.97Å; N375-T377 PolarHBondContact OD1-OG1 3.44Å; T377-L379 PolarHBondContact O-N 2.9Å; T377-G380 PolarHBondContact O-N 3.03Å; T377-A447 HydrophobicContact CG2-CB 4.23Å; T377-F451 WeakPolarHBondContact O-CD2 3.36Å; T377-F451 WeakPolarHBondContact O-CE2 3.5Å
378	Y	91.5	Very high	91	Very high	20 Å²	20	24.8 Å²	24.8	8%	0.078	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-63.3	-9.7	174.7	-62.3	-16.6	0	0	0	114.6	T373 Y374 N375 S376 G380 I381 P382 L450 F451 N454	T373-Y378 WeakPolarHBondContact O-CE2 3.43Å; T373-Y378 PolarHBondContact O-OH 2.95Å; Y374-Y378 AromaticContact CD2-CD2 3.74Å; Y374-Y378 HydrophobicContact CD2-CD2 3.74Å; Y374-Y378 HydrophobicContact CD2-CE2 4.49Å; Y374-Y378 HydrophobicContact CE2-CD2 4.1Å; Y374-Y378 HydrophobicContact CG-CD2 4.39Å; N375-Y378 WeakPolarHBondContact ND2-CE1 3.39Å; N375-Y378 PolarHBondContact ND2-OH 3.47Å; N375-Y378 WeakPolarHBondContact O-CB 3.36Å; N375-Y378 PolarHBondContact O-N 3.48Å; N375-Y378 WeakPolarHBondContact OD1-CD1 3.32Å; N375-Y378 WeakPolarHBondContact OD1-CE1 3.22Å; N375-Y378 PolarHBondContact OD1-N 3.18Å; S376-Y378 PolarHBondContact O-N 2.88Å; Y378-G380 PolarHBondContact O-N 3.26Å; Y378-I381 HydrophobicContact CD1-CD1 3.73Å; Y378-I381 HydrophobicContact CG-CD1 3.86Å; Y378-I381 PolarHBondContact O-N 2.84Å; Y378-P382 WeakPolarHBondContact O-CD 3.41Å; Y378-L450 HydrophobicContact CE1-CB 4.3Å; Y378-F451 HydrophobicContact CD1-CB 4.33Å; Y378-F451 HydrophobicContact CD1-CD2 4.08Å; Y378-F451 HydrophobicContact CE1-CB 4.34Å; Y378-N454 VanDerWaalsContact CE1-ND2 3.33Å; Y378-N454 WeakPolarHBondContact CE1-ND2 3.27Å; Y378-N454 VanDerWaalsContact CE2-ND2 3.27Å; Y378-N454 WeakPolarHBondContact CE2-ND2 3.38Å; Y378-N454 PolarHBondContact OH-ND2 3.44Å
379	L	90.9	Very high	91.1	Very high	11 Å²	11	24.1 Å²	24.1	6%	0.058	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-54.3	-24.5	171.6	-75	170.9	0	0	0	113.3	S314 A317 L321 S376 T377 F383 L867 T868 L871	S314-L379 WeakPolarHBondContact OG-CD1 3.39Å; A317-L379 HydrophobicContact CB-CD1 4.39Å; A317-L379 HydrophobicContact CB-CD2 3.96Å; L321-L379 HydrophobicContact CD1-CD2 3.84Å; S376-L379 WeakPolarHBondContact O-CB 3.34Å; S376-L379 WeakPolarHBondContact O-CD1 3.21Å; S376-L379 VanDerWaalsContact O-CG 3.32Å; S376-L379 WeakPolarHBondContact O-CG 3.37Å; S376-L379 PolarHBondContact O-N 3.39Å; T377-L379 PolarHBondContact O-N 2.9Å; L379-F383 WeakPolarHBondContact O-CE2 3.4Å; L379-L867 HydrophobicContact CB-CD2 4.49Å; L379-L867 HydrophobicContact CD1-CD2 3.54Å; L379-T868 HydrophobicContact CD1-CG2 4.36Å; L379-L871 HydrophobicContact CB-CD1 4.03Å
380	G	90.9	Very high	91.2	Very high	3 Å²	3	20 Å²	20	3%	0.031	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-76.7	-24.9	175.2	0	0	0	0	0	115.3	T377 Y378 F383 V384	T377-G380 PolarHBondContact O-N 3.03Å; Y378-G380 PolarHBondContact O-N 3.26Å; G380-F383 PolarHBondContact O-N 3.29Å; G380-F383 VanDerWaalsContact O-N 3.17Å; G380-V384 PolarHBondContact O-N 2.75Å
381	I	93.4	Very high	91.4	Very high	20 Å²	20	15.1 Å²	15.1	10%	0.103	9%	0.094	C	C	.	.	H	α-helix	trans	-58.3	-46.7	-171.8	-60.9	178.6	0	0	0	112.3	Y378 F383 V384 M385 F451 N454 A458	Y378-I381 HydrophobicContact CD1-CD1 3.73Å; Y378-I381 HydrophobicContact CG-CD1 3.86Å; Y378-I381 PolarHBondContact O-N 2.84Å; I381-F383 PolarHBondContact O-N 3.31Å; I381-F383 VanDerWaalsContact O-N 3.16Å; I381-V384 WeakPolarHBondContact O-CB 3.38Å; I381-V384 PolarHBondContact O-N 3.14Å; I381-V384 VanDerWaalsContact O-N 3.1Å; I381-M385 HydrophobicContact CG2-CG 4.12Å; I381-M385 HydrophobicContact CG2-SD 4.04Å; I381-M385 WeakPolarHBondContact O-CG 3.36Å; I381-M385 PolarHBondContact O-N 3.3Å; I381-F451 HydrophobicContact CB-CE2 4.21Å; I381-F451 HydrophobicContact CB-CZ 4.26Å; I381-F451 HydrophobicContact CD1-CD2 4.21Å; I381-F451 HydrophobicContact CD1-CE2 4.2Å; I381-F451 HydrophobicContact CG1-CD2 3.68Å; I381-F451 HydrophobicContact CG1-CE1 4.13Å; I381-F451 HydrophobicContact CG1-CE2 3.2Å; I381-F451 HydrophobicContact CG1-CG 4.34Å; I381-F451 HydrophobicContact CG1-CZ 3.47Å; I381-F451 VanDerWaalsContact CG1-CZ 3.47Å; I381-N454 HydrophobicContact CD1-CB 3.79Å; I381-A458 HydrophobicContact CG2-CB 4.49Å
382	P	92.6	Very high	91.6	Very high	65 Å²	65	13 Å²	13	42%	0.422	7%	0.073	S	C	.	.	H	α-helix	trans	-56.7	-33.9	-179.6	-27	36.6	0	0	0	113.5	Y378 M385 L386	Y378-P382 WeakPolarHBondContact O-CD 3.41Å; P382-M385 PolarHBondContact O-N 3.09Å; P382-L386 WeakPolarHBondContact O-CB 3.33Å; P382-L386 PolarHBondContact O-N 3.46Å
383	F	92.4	Very high	92	Very high	7 Å²	7	12.3 Å²	12.3	3%	0.031	7%	0.067	C	C	.	.	H	α-helix	trans	-72	-41.5	178.1	-60.3	-71	0	0	0	111.8	L321 L379 G380 I381 M385 L386 G387 Y853 L857 I860 L875	L321-F383 HydrophobicContact CD2-CE2 3.8Å; L321-F383 HydrophobicContact CD2-CZ 3.53Å; L379-F383 WeakPolarHBondContact O-CE2 3.4Å; G380-F383 PolarHBondContact O-N 3.29Å; G380-F383 VanDerWaalsContact O-N 3.17Å; I381-F383 PolarHBondContact O-N 3.31Å; I381-F383 VanDerWaalsContact O-N 3.16Å; F383-M385 VanDerWaalsContact C-N 3.28Å; F383-M385 PolarHBondContact O-N 3.3Å; F383-L386 PolarHBondContact O-N 2.79Å; F383-G387 PolarHBondContact O-N 3.06Å; F383-Y853 HydrophobicContact CB-CE2 4.17Å; F383-Y853 WeakPolarHBondContact O-CE2 3.47Å; F383-L857 HydrophobicContact CD1-CD2 3.71Å; F383-L857 HydrophobicContact CE1-CD2 4.08Å; F383-L857 HydrophobicContact CG-CD2 4.12Å; F383-I860 HydrophobicContact CD1-CD1 4.27Å; F383-I860 HydrophobicContact CD2-CD1 4.3Å; F383-I860 HydrophobicContact CE1-CD1 3.48Å; F383-I860 VanDerWaalsContact CE1-CD1 3.48Å; F383-I860 HydrophobicContact CE1-CG1 4.37Å; F383-I860 HydrophobicContact CE2-CD1 3.5Å; F383-I860 VanDerWaalsContact CE2-CD1 3.5Å; F383-I860 HydrophobicContact CE2-CG1 4.43Å; F383-I860 HydrophobicContact CZ-CD1 3.03Å; F383-I860 HydrophobicContact CZ-CG1 3.78Å; F383-L875 HydrophobicContact CB-CD1 3.84Å; F383-L875 HydrophobicContact CD2-CD1 4.22Å; F383-L875 HydrophobicContact CG-CD1 4.08Å
384	V	92.8	Very high	92.3	Very high	15 Å²	15	10.7 Å²	10.7	9%	0.091	6%	0.057	C	C	.	.	H	α-helix	trans	-57.3	-46.3	173.8	-177.9	0	0	0	0	110.3	G380 I381 H388 F451 I459 T807	G380-V384 PolarHBondContact O-N 2.75Å; I381-V384 WeakPolarHBondContact O-CB 3.38Å; I381-V384 PolarHBondContact O-N 3.14Å; I381-V384 VanDerWaalsContact O-N 3.1Å; V384-H388 PolarHBondContact O-N 3.4Å; V384-F451 HydrophobicContact CG2-CE1 4.47Å; V384-F451 HydrophobicContact CG2-CZ 4.15Å; V384-I459 HydrophobicContact CG1-CD1 3.99Å; V384-T807 HydrophobicContact CG1-CG2 4.36Å; V384-T807 HydrophobicContact CG2-CG2 3.43Å; V384-T807 VanDerWaalsContact CG2-CG2 3.43Å
385	M	94.4	Very high	92.5	Very high	11 Å²	11	8.3 Å²	8.3	5%	0.054	5%	0.048	C	C	.	.	H	α-helix	trans	-65.8	-41.3	177.9	-62.7	-174.7	69.4	0	0	112.7	V356 S359 I381 P382 F383 G389 A458	V356-M385 HydrophobicContact CG1-CB 3.79Å; V356-M385 HydrophobicContact CG1-CE 4.42Å; S359-M385 WeakPolarHBondContact OG-CE 3.46Å; I381-M385 HydrophobicContact CG2-CG 4.12Å; I381-M385 HydrophobicContact CG2-SD 4.04Å; I381-M385 WeakPolarHBondContact O-CG 3.36Å; I381-M385 PolarHBondContact O-N 3.3Å; P382-M385 PolarHBondContact O-N 3.09Å; F383-M385 VanDerWaalsContact C-N 3.28Å; F383-M385 PolarHBondContact O-N 3.3Å; M385-G389 WeakPolarHBondContact O-CA 3.24Å; M385-G389 PolarHBondContact O-N 2.9Å; M385-A458 HydrophobicContact CE-CB 3.92Å; M385-A458 HydrophobicContact CG-CB 4.13Å; M385-A458 HydrophobicContact SD-CB 3.62Å
386	L	93.7	Very high	92.9	Very high	7 Å²	7	8.3 Å²	8.3	4%	0.037	5%	0.048	C	C	.	.	H	α-helix	trans	-63.9	-43.8	179.9	-175.2	148	0	0	0	111.3	C328 L353 P382 F383 L390 Y853 A856	C328-L386 HydrophobicContact CB-CD1 4.37Å; L353-L386 HydrophobicContact CD2-CD1 4.24Å; P382-L386 WeakPolarHBondContact O-CB 3.33Å; P382-L386 PolarHBondContact O-N 3.46Å; F383-L386 PolarHBondContact O-N 2.79Å; L386-L390 HydrophobicContact CD2-CD1 3.56Å; L386-L390 HydrophobicContact CD2-CG 4.49Å; L386-L390 HydrophobicContact CG-CD1 3.78Å; L386-L390 HydrophobicContact CG-CG 4.35Å; L386-L390 WeakPolarHBondContact O-CB 3.19Å; L386-L390 WeakPolarHBondContact O-CG 3.45Å; L386-L390 PolarHBondContact O-N 2.81Å; L386-Y853 HydrophobicContact CD2-CD2 3.8Å; L386-A856 HydrophobicContact CD1-CB 4.13Å; L386-A856 HydrophobicContact CD2-CB 4.17Å
387	G	92.3	Very high	93.1	Very high	2 Å²	2	8.4 Å²	8.4	2%	0.021	5%	0.048	C	C	.	.	H	α-helix	trans	-59.4	-57.1	176.7	0	0	0	0	0	112.1	F383 F391 T849	F383-G387 PolarHBondContact O-N 3.06Å; G387-F391 WeakPolarHBondContact O-CB 3.13Å; G387-F391 PolarHBondContact O-N 2.93Å; G387-F391 VanDerWaalsContact O-N 3.15Å; G387-T849 WeakPolarHBondContact O-CG2 3.42Å
388	H	94.4	Very high	93.2	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.009	5%	0.052	C	C	.	.	H	α-helix	trans	-67.8	-41.6	-176.7	-177.4	63.5	0	0	0	113.2	V384 F391 G392 F424 T428 H431 D814	V384-H388 PolarHBondContact O-N 3.4Å; H388-F391 PolarHBondContact O-N 2.85Å; H388-G392 PolarHBondContact O-N 2.95Å; H388-F424 AromaticContact CE1-CE2 3.49Å; H388-F424 VanDerWaalsContact CE1-CE2 3.49Å; H388-F424 WeakPolarHBondContact CE1-CE2 3.48Å; H388-F424 AromaticContact CE1-CZ 3.8Å; H388-F424 AromaticContact NE2-CE2 3.75Å; H388-F424 AromaticContact NE2-CZ 3.55Å; H388-T428 PolarHBondContact CE1-OG1 2.97Å; H388-T428 PolarHBondContact NE2-OG1 3.46Å; H388-H431 AromaticContact ND1-CE1 3.51Å; H388-H431 AromaticContact ND1-ND1 3.79Å; H388-D814 WeakPolarHBondContact CA-OD2 3.36Å; H388-D814 IonicContact CE1-OD1 3.7Å; H388-D814 IonicContact CG-OD2 3.82Å; H388-D814 IonicContact ND1-OD1 2.84Å; H388-D814 PolarHBondContact ND1-OD1 3.16Å; H388-D814 IonicContact ND1-OD2 2.66Å; H388-D814 PolarHBondContact ND1-OD2 3.16Å
389	G	94.3	Very high	93.2	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-69.5	-40.8	-178.7	0	0	0	0	0	113.7	M385 S393	M385-G389 WeakPolarHBondContact O-CA 3.24Å; M385-G389 PolarHBondContact O-N 2.9Å; G389-S393 WeakPolarHBondContact O-CB 3.32Å; G389-S393 PolarHBondContact O-N 3Å; G389-S393 VanDerWaalsContact O-N 3.16Å; G389-S393 PolarHBondContact O-OG 2.74Å
390	L	93.8	Very high	93.3	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-67.6	-37.7	174.7	-72.2	179.4	0	0	0	111.6	A352 L353 L386 G392 S393 F394 T849 C852	A352-L390 HydrophobicContact CB-CD2 4.1Å; L353-L390 HydrophobicContact CD2-CD1 4.23Å; L353-L390 HydrophobicContact CD2-CD2 3.83Å; L353-L390 HydrophobicContact CD2-CG 4.29Å; L353-L390 HydrophobicContact CG-CD2 4.27Å; L386-L390 HydrophobicContact CD2-CD1 3.56Å; L386-L390 HydrophobicContact CD2-CG 4.49Å; L386-L390 HydrophobicContact CG-CD1 3.78Å; L386-L390 HydrophobicContact CG-CG 4.35Å; L386-L390 WeakPolarHBondContact O-CB 3.19Å; L386-L390 WeakPolarHBondContact O-CG 3.45Å; L386-L390 PolarHBondContact O-N 2.81Å; L390-G392 PolarHBondContact O-N 3.28Å; L390-S393 WeakPolarHBondContact O-CB 3.24Å; L390-S393 PolarHBondContact O-N 2.97Å; L390-F394 HydrophobicContact CB-CD2 4.26Å; L390-F394 HydrophobicContact CB-CE2 3.99Å; L390-F394 HydrophobicContact CD2-CE2 4.39Å; L390-F394 HydrophobicContact CD2-CZ 4.48Å; L390-F394 WeakPolarHBondContact O-CD2 3.28Å; L390-F394 PolarHBondContact O-N 2.97Å; L390-T849 HydrophobicContact CB-CG2 4.35Å; L390-C852 HydrophobicContact CD1-CB 3.81Å
391	F	94.6	Very high	93.1	Very high	1 Å²	1	9.2 Å²	9.2	0%	0.004	5%	0.052	C	C	.	.	H	α-helix	trans	-54.5	-55.2	175.2	179.5	-102.8	0	0	0	111.9	G387 H388 S393 F394 E395 F424 D814 P818 T849	G387-F391 WeakPolarHBondContact O-CB 3.13Å; G387-F391 PolarHBondContact O-N 2.93Å; G387-F391 VanDerWaalsContact O-N 3.15Å; H388-F391 PolarHBondContact O-N 2.85Å; F391-S393 PolarHBondContact O-N 3.25Å; F391-F394 PolarHBondContact O-N 3.3Å; F391-E395 WeakPolarHBondContact O-CB 3.42Å; F391-E395 PolarHBondContact O-N 3.39Å; F391-F424 HydrophobicContact CD1-CD2 4.22Å; F391-F424 HydrophobicContact CD1-CE2 4.36Å; F391-F424 HydrophobicContact CE1-CD2 4.49Å; F391-D814 HydrophobicContact CB-CB 4.4Å; F391-D814 HydrophobicContact CD1-CB 3.8Å; F391-D814 HydrophobicContact CD2-CB 4.33Å; F391-D814 HydrophobicContact CE1-CB 4.25Å; F391-D814 WeakPolarHBondContact CE1-O 3.15Å; F391-D814 VanDerWaalsContact CE2-O 3.31Å; F391-D814 WeakPolarHBondContact CE2-O 3.3Å; F391-D814 HydrophobicContact CG-CB 3.87Å; F391-D814 WeakPolarHBondContact CZ-O 3.43Å; F391-P818 HydrophobicContact CE1-CG 4.08Å; F391-P818 HydrophobicContact CZ-CB 4.48Å; F391-P818 HydrophobicContact CZ-CG 3.78Å; F391-T849 VanDerWaalsContact CA-OG1 3.32Å; F391-T849 WeakPolarHBondContact CA-OG1 3.29Å; F391-T849 HydrophobicContact CB-CG2 3.98Å
392	G	93.8	Very high	92.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-58.9	-37.8	177.9	0	0	0	0	0	112.7	H388 L390 M396 F424	H388-G392 PolarHBondContact O-N 2.95Å; L390-G392 PolarHBondContact O-N 3.28Å; G392-M396 WeakPolarHBondContact O-CB 3.07Å; G392-M396 WeakPolarHBondContact O-CG 3.19Å; G392-M396 PolarHBondContact O-N 2.63Å; G392-F424 VanDerWaalsContact CA-CE2 3.42Å
393	S	95.2	Very high	92.6	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-65.8	-46.7	-179.8	-62.5	0	0	0	0	112.9	A352 G389 L390 F391 L397 M466 Y470	A352-S393 WeakPolarHBondContact CB-OG 3.38Å; G389-S393 WeakPolarHBondContact O-CB 3.32Å; G389-S393 PolarHBondContact O-N 3Å; G389-S393 VanDerWaalsContact O-N 3.16Å; G389-S393 PolarHBondContact O-OG 2.74Å; L390-S393 WeakPolarHBondContact O-CB 3.24Å; L390-S393 PolarHBondContact O-N 2.97Å; F391-S393 PolarHBondContact O-N 3.25Å; S393-L397 PolarHBondContact O-N 3.22Å; S393-L397 VanDerWaalsContact O-N 3.1Å; S393-M466 PolarHBondContact OG-SD 3.13Å; S393-Y470 VanDerWaalsContact CB-CZ 3.47Å; S393-Y470 WeakPolarHBondContact CB-OH 3.26Å; S393-Y470 PolarHBondContact O-OH 3.14Å
394	F	94.5	Very high	92.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-71	-35.1	178.1	-67.4	-47.5	0	0	0	112.3	A332 C335 L390 F391 L397 S398 P845 Q848 T849 C852	A332-F394 HydrophobicContact CB-CZ 4.36Å; C335-F394 HydrophobicContact CB-CE1 4.06Å; C335-F394 HydrophobicContact CB-CZ 4.19Å; L390-F394 HydrophobicContact CB-CD2 4.26Å; L390-F394 HydrophobicContact CB-CE2 3.99Å; L390-F394 HydrophobicContact CD2-CE2 4.39Å; L390-F394 HydrophobicContact CD2-CZ 4.48Å; L390-F394 WeakPolarHBondContact O-CD2 3.28Å; L390-F394 PolarHBondContact O-N 2.97Å; F391-F394 PolarHBondContact O-N 3.3Å; F394-L397 PolarHBondContact O-N 3.24Å; F394-S398 WeakPolarHBondContact O-CB 3.18Å; F394-S398 PolarHBondContact O-N 3.19Å; F394-P845 HydrophobicContact CB-CB 4.1Å; F394-Q848 HydrophobicContact CD1-CB 4.37Å; F394-Q848 HydrophobicContact CD2-CB 3.81Å; F394-Q848 HydrophobicContact CE2-CB 4.01Å; F394-Q848 HydrophobicContact CG-CB 4.01Å; F394-Q848 HydrophobicContact CZ-CB 4.39Å; F394-T849 WeakPolarHBondContact CD2-OG1 3.26Å; F394-C852 HydrophobicContact CE2-CB 4.44Å
395	E	93.3	Very high	91.5	Very high	3 Å²	3	21.1 Å²	21.1	1%	0.014	9%	0.091	C	C	.	.	H	α-helix	trans	-64.5	-44.4	176.2	-175.8	67.1	-170.2	0	0	111.4	F391 L397 S398 S399 V420 H842 P845	F391-E395 WeakPolarHBondContact O-CB 3.42Å; F391-E395 PolarHBondContact O-N 3.39Å; E395-L397 VanDerWaalsContact C-N 3.34Å; E395-L397 PolarHBondContact O-N 2.92Å; E395-S398 PolarHBondContact O-N 3.36Å; E395-S399 PolarHBondContact O-N 3.37Å; E395-V420 HydrophobicContact CB-CG1 4.1Å; E395-V420 HydrophobicContact CG-CB 4.4Å; E395-V420 HydrophobicContact CG-CG1 3.41Å; E395-V420 VanDerWaalsContact CG-CG1 3.41Å; E395-V420 HydrophobicContact CG-CG2 4.13Å; E395-H842 IonicContact OE1-CE1 3.72Å; E395-H842 PolarHBondContact OE1-CE1 3.44Å; E395-H842 IonicContact OE1-CG 3.2Å; E395-H842 IonicContact OE1-ND1 2.81Å; E395-H842 PolarHBondContact OE1-ND1 2.97Å; E395-H842 IonicContact OE2-ND1 3.98Å; E395-P845 HydrophobicContact CB-CB 4.34Å; E395-P845 WeakPolarHBondContact OE2-CB 3.45Å; E395-P845 VanDerWaalsContact OE2-CG 3.29Å; E395-P845 WeakPolarHBondContact OE2-CG 3.41Å
396	M	94.6	Very high	90.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.7	-41.7	172.7	-75.6	-174.4	78	0	0	112.4	G392 S399 W400 V416 F417 V420 M421 M466 Y470 S471 L474	G392-M396 WeakPolarHBondContact O-CB 3.07Å; G392-M396 WeakPolarHBondContact O-CG 3.19Å; G392-M396 PolarHBondContact O-N 2.63Å; M396-S399 PolarHBondContact O-N 2.77Å; M396-W400 WeakPolarHBondContact O-CB 3.22Å; M396-W400 PolarHBondContact O-N 3.41Å; M396-V416 HydrophobicContact CB-CG1 4.22Å; M396-V416 HydrophobicContact CE-CG1 4.14Å; M396-V416 HydrophobicContact CG-CG1 4.33Å; M396-F417 HydrophobicContact CE-CD2 4.2Å; M396-F417 HydrophobicContact CE-CE2 3.75Å; M396-V420 HydrophobicContact CG-CG1 4.1Å; M396-M421 HydrophobicContact CE-CE 4.23Å; M396-M421 HydrophobicContact CG-CE 3.59Å; M396-M421 HydrophobicContact SD-CE 3.62Å; M396-M466 HydrophobicContact CG-CE 4.47Å; M396-M466 HydrophobicContact SD-CE 3.59Å; M396-M466 VanDerWaalsContact SD-CE 3.59Å; M396-Y470 HydrophobicContact CB-CE1 4.07Å; M396-Y470 HydrophobicContact CE-CD1 4.49Å; M396-Y470 HydrophobicContact SD-CD1 3.76Å; M396-Y470 HydrophobicContact SD-CE1 3.98Å; M396-S471 WeakPolarHBondContact CE-OG 3.28Å; M396-L474 HydrophobicContact CE-CD2 4.15Å
397	L	93	Very high	90.3	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-66.3	-39.7	177.2	177.8	57.7	0	0	0	112	C336 K345 L348 S393 F394 E395 W400 R401	C336-L397 HydrophobicContact CB-CD2 4.09Å; C336-L397 WeakPolarHBondContact SG-CD2 3.44Å; K345-L397 HydrophobicContact CD-CD1 3.98Å; L348-L397 HydrophobicContact CD2-CB 4.41Å; L348-L397 HydrophobicContact CD2-CD1 3.83Å; L348-L397 HydrophobicContact CD2-CD2 4.37Å; L348-L397 HydrophobicContact CD2-CG 4.42Å; S393-L397 PolarHBondContact O-N 3.22Å; S393-L397 VanDerWaalsContact O-N 3.1Å; F394-L397 PolarHBondContact O-N 3.24Å; E395-L397 VanDerWaalsContact C-N 3.34Å; E395-L397 PolarHBondContact O-N 2.92Å; L397-W400 PolarHBondContact O-N 2.89Å; L397-R401 HydrophobicContact CD1-CG 4.3Å; L397-R401 WeakPolarHBondContact O-CG 3.37Å; L397-R401 PolarHBondContact O-N 3.39Å
398	S	90.8	Very high	90.3	Very high	18 Å²	18	34.6 Å²	34.6	13%	0.126	16%	0.157	C	C	.	.	H	α-helix	trans	-61.6	-43.9	174.9	173.6	0	0	0	0	111.5	F394 E395 R401 R402 R841	F394-S398 WeakPolarHBondContact O-CB 3.18Å; F394-S398 PolarHBondContact O-N 3.19Å; E395-S398 PolarHBondContact O-N 3.36Å; S398-R401 PolarHBondContact O-N 3.31Å; S398-R402 PolarHBondContact O-N 3.17Å; S398-R841 PolarHBondContact OG-O 3.47Å
399	S	91.9	Very high	90.3	Very high	4 Å²	4	34.6 Å²	34.6	3%	0.028	16%	0.157	C	C	.	.	H	α-helix	trans	-63.9	-43.8	173.8	-174.5	0	0	0	0	112.2	E395 M396 R401 R402 T403 D419	E395-S399 PolarHBondContact O-N 3.37Å; M396-S399 PolarHBondContact O-N 2.77Å; S399-R401 VanDerWaalsContact C-N 3.31Å; S399-R401 PolarHBondContact O-N 2.9Å; S399-R402 WeakPolarHBondContact O-CA 3.2Å; S399-R402 WeakPolarHBondContact O-CB 3.39Å; S399-R402 PolarHBondContact O-N 3.38Å; S399-T403 PolarHBondContact O-N 3.26Å; S399-D419 PolarHBondContact OG-OD2 2.82Å
400	W	92.3	Very high	90.3	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-55.7	-45	176.3	176.6	-87.8	0	0	0	112.2	M396 L397 R402 T403 V409 R412 V413 V416 L474 G478 E481	M396-W400 WeakPolarHBondContact O-CB 3.22Å; M396-W400 PolarHBondContact O-N 3.41Å; L397-W400 PolarHBondContact O-N 2.89Å; W400-R402 PolarHBondContact O-N 3.34Å; W400-R402 VanDerWaalsContact O-N 3.15Å; W400-T403 WeakPolarHBondContact O-CB 3Å; W400-T403 PolarHBondContact O-N 3.47Å; W400-T403 VanDerWaalsContact O-N 3.08Å; W400-T403 PolarHBondContact O-OG1 2.89Å; W400-V409 HydrophobicContact CH2-CG1 4.17Å; W400-R412 HydrophobicContact CE3-CB 4.15Å; W400-R412 HydrophobicContact CH2-CB 3.67Å; W400-R412 HydrophobicContact CH2-CG 4.49Å; W400-R412 HydrophobicContact CZ3-CB 3.41Å; W400-R412 VanDerWaalsContact CZ3-CB 3.41Å; W400-V413 HydrophobicContact CE3-CG2 4.34Å; W400-V413 HydrophobicContact CZ3-CG2 3.63Å; W400-V416 HydrophobicContact CB-CG2 3.97Å; W400-V416 HydrophobicContact CE3-CG2 4.09Å; W400-L474 HydrophobicContact CB-CD1 4.11Å; W400-L474 HydrophobicContact CB-CD2 4.45Å; W400-L474 HydrophobicContact CD2-CD1 4Å; W400-L474 HydrophobicContact CD2-CD2 4.43Å; W400-L474 HydrophobicContact CD2-CG 4.18Å; W400-L474 HydrophobicContact CE3-CD1 4.2Å; W400-L474 HydrophobicContact CE3-CD2 3.88Å; W400-L474 HydrophobicContact CE3-CG 3.86Å; W400-L474 HydrophobicContact CG-CD1 3.95Å; W400-L474 HydrophobicContact CZ3-CG 4.42Å; W400-G478 VanDerWaalsContact CZ2-CA 3.47Å; W400-E481 PolarHBondContact NE1-OE2 2.8Å
401	R	87.6	Confident	90.3	Very high	36 Å²	36	40.9 Å²	40.9	14%	0.136	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.4	178.2	-70.9	174.1	-179.5	-178.8	-0.6	113.7	C336 M338 L397 S398 S399 Q525 H528	C336-R401 PolarHBondContact O-NH2 2.97Å; M338-R401 HydrophobicContact CE-CG 4.2Å; L397-R401 HydrophobicContact CD1-CG 4.3Å; L397-R401 WeakPolarHBondContact O-CG 3.37Å; L397-R401 PolarHBondContact O-N 3.39Å; S398-R401 PolarHBondContact O-N 3.31Å; S399-R401 VanDerWaalsContact C-N 3.31Å; S399-R401 PolarHBondContact O-N 2.9Å; R401-Q525 PolarHBondContact O-NE2 3.45Å; R401-H528 PolarHBondContact NH1-CD2 3.08Å; R401-H528 PolarHBondContact NH1-NE2 2.97Å
402	R	86.2	Confident	90.3	Very high	78 Å²	78	41.1 Å²	41.1	29%	0.294	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-11.4	174.8	-68.2	-176.2	-73.8	117.9	-6.9	113.5	S398 S399 W400 D419	S398-R402 PolarHBondContact O-N 3.17Å; S399-R402 WeakPolarHBondContact O-CA 3.2Å; S399-R402 WeakPolarHBondContact O-CB 3.39Å; S399-R402 PolarHBondContact O-N 3.38Å; W400-R402 PolarHBondContact O-N 3.34Å; W400-R402 VanDerWaalsContact O-N 3.15Å; R402-D419 IonicContact CZ-OD2 3.33Å; R402-D419 VanDerWaalsContact CZ-OD2 3.29Å; R402-D419 IonicContact NH1-OD2 3.48Å; R402-D419 PolarHBondContact NH1-OD2 2.94Å; R402-D419 IonicContact NH2-OD2 2.64Å; R402-D419 PolarHBondContact NH2-OD2 3.43Å
403	T	89	Confident	90.4	Very high	22 Å²	22	41.1 Å²	41.1	14%	0.135	19%	0.186	C	C	.	.	S	Bend	trans	-68.8	154.7	175.8	61.7	0	0	0	0	111.2	S399 W400 R412 V416	S399-T403 PolarHBondContact O-N 3.26Å; W400-T403 WeakPolarHBondContact O-CB 3Å; W400-T403 PolarHBondContact O-N 3.47Å; W400-T403 VanDerWaalsContact O-N 3.08Å; W400-T403 PolarHBondContact O-OG1 2.89Å; T403-R412 HydrophobicContact CG2-CB 4.46Å; T403-R412 PolarHBondContact OG1-NE 3.13Å; T403-R412 PolarHBondContact OG1-NH2 3.05Å; T403-R412 VanDerWaalsContact OG1-NH2 3.08Å; T403-V416 HydrophobicContact CG2-CG2 3.88Å
404	R	83.1	Confident	90.4	Very high	173 Å²	173	41.1 Å²	41.1	65%	0.653	19%	0.186	S	C	*	.			trans	-77.2	140.6	178.6	-51.3	-177.9	176	-175.4	-1.1	110.5	D406 Q407 R412	R404-D406 WeakPolarHBondContact CB-OD1 3.39Å; R404-Q407 HydrophobicContact CB-CG 4.23Å; R404-R412 VanDerWaalsContact O-CD 3.31Å; R404-R412 WeakPolarHBondContact O-CD 3.5Å; R404-R412 PolarHBondContact O-NE 3.11Å
405	E	78.1	Confident	90.4	Very high	84 Å²	84	42.5 Å²	42.5	39%	0.393	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-23.3	-172.7	-63.9	-176.1	133.3	0	0	114	R343 Q407	R343-E405 IonicContact CZ-OE1 3.91Å; R343-E405 IonicContact CZ-OE2 3.09Å; R343-E405 IonicContact NE-OE1 3.46Å; R343-E405 PolarHBondContact NE-OE1 3.14Å; R343-E405 IonicContact NH2-OE1 3.68Å; R343-E405 PolarHBondContact NH2-OE1 2.7Å; R343-E405 IonicContact NH2-OE2 2.79Å; R343-E405 PolarHBondContact NH2-OE2 2.89Å; E405-Q407 VanDerWaalsContact C-N 3.27Å; E405-Q407 PolarHBondContact O-N 3.43Å
406	D	78	Confident	90.5	Very high	131 Å²	131	42.3 Å²	42.3	70%	0.701	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-21.6	176.6	60.3	-26.2	0	0	0	112.8	R404	R404-D406 WeakPolarHBondContact CB-OD1 3.39Å
407	Q	86.3	Confident	90.6	Very high	63 Å²	63	42.3 Å²	42.3	29%	0.294	20%	0.195	S	C	.	.	S	Bend	trans	-74.7	142.6	-179.5	-69	179.5	-15.3	0	0	112.6	R404 E405 R412	R404-Q407 HydrophobicContact CB-CG 4.23Å; E405-Q407 VanDerWaalsContact C-N 3.27Å; E405-Q407 PolarHBondContact O-N 3.43Å; Q407-R412 HydrophobicContact CB-CG 3.71Å; Q407-R412 VanDerWaalsContact O-CD 3.32Å; Q407-R412 WeakPolarHBondContact O-CD 3.15Å
408	H	92.3	Very high	90.6	Very high	109 Å²	109	44.7 Å²	44.7	51%	0.505	21%	0.206	S	C	.	.			trans	-59.4	141.8	173.9	-173.9	-91	0	0	0	111.2	K410 E411 R412	H408-K410 PolarHBondContact ND1-N 3.33Å; H408-K410 PolarHBondContact O-N 3.24Å; H408-E411 WeakPolarHBondContact O-CB 3.27Å; H408-E411 PolarHBondContact O-N 3.25Å; H408-R412 PolarHBondContact O-N 2.92Å; H408-R412 VanDerWaalsContact O-N 3.09Å
409	V	93.1	Very high	90.6	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.012	21%	0.207	C	C	.	.	H	α-helix	trans	-49.8	-41.3	-175.1	175.7	0	0	0	0	112.9	W400 E411 R412 V413 V475 Y479 T482	W400-V409 HydrophobicContact CH2-CG1 4.17Å; V409-E411 VanDerWaalsContact C-N 3.32Å; V409-E411 PolarHBondContact O-N 2.8Å; V409-R412 PolarHBondContact O-N 2.89Å; V409-V413 WeakPolarHBondContact O-CG2 3.47Å; V409-V413 PolarHBondContact O-N 3.26Å; V409-V475 HydrophobicContact CG1-CG1 4.11Å; V409-Y479 HydrophobicContact CB-CD1 4.37Å; V409-Y479 HydrophobicContact CB-CE1 4.09Å; V409-Y479 HydrophobicContact CB-CE2 4.38Å; V409-Y479 HydrophobicContact CG1-CD2 4.18Å; V409-Y479 HydrophobicContact CG1-CE2 4.09Å; V409-Y479 HydrophobicContact CG1-CG 4.48Å; V409-Y479 HydrophobicContact CG2-CD1 3.83Å; V409-Y479 HydrophobicContact CG2-CE1 3.96Å; V409-Y479 HydrophobicContact CG2-CG 4.2Å; V409-T482 WeakPolarHBondContact CG2-OG1 3.43Å
410	K	94.3	Very high	90.7	Very high	75 Å²	75	44.9 Å²	44.9	33%	0.326	21%	0.206	S	C	.	.	H	α-helix	trans	-59.6	-40	178	-67.1	177.4	-180	-178	0	113	A52 H408 A414	A52-K410 HydrophobicContact CB-CB 4.1Å; A52-K410 HydrophobicContact CB-CG 3.96Å; H408-K410 PolarHBondContact ND1-N 3.33Å; H408-K410 PolarHBondContact O-N 3.24Å; K410-A414 WeakPolarHBondContact O-CB 3.35Å; K410-A414 PolarHBondContact O-N 3Å; K410-A414 VanDerWaalsContact O-N 3.08Å
411	E	94.5	Very high	90.7	Very high	57 Å²	57	44.8 Å²	44.8	27%	0.266	21%	0.205	S	C	.	.	H	α-helix	trans	-75	-36.4	179.7	-166.9	59.9	-156.7	0	0	111.5	H45 R49 H408 V409 V413 A414 S415	H45-E411 IonicContact CE1-OE1 3.32Å; H45-E411 PolarHBondContact CE1-OE1 2.9Å; H45-E411 IonicContact NE2-OE1 3.14Å; H45-E411 PolarHBondContact NE2-OE1 3.4Å; R49-E411 IonicContact CZ-OE2 3.38Å; R49-E411 IonicContact NH1-OE2 3.95Å; R49-E411 PolarHBondContact NH1-OE2 2.96Å; H408-E411 WeakPolarHBondContact O-CB 3.27Å; H408-E411 PolarHBondContact O-N 3.25Å; V409-E411 VanDerWaalsContact C-N 3.32Å; V409-E411 PolarHBondContact O-N 2.8Å; E411-V413 VanDerWaalsContact C-N 3.34Å; E411-V413 PolarHBondContact O-N 3.18Å; E411-A414 PolarHBondContact O-N 3.36Å; E411-S415 PolarHBondContact O-N 3.11Å; E411-S415 PolarHBondContact O-OG 3.35Å; E411-S415 VanDerWaalsContact O-OG 3.08Å
412	R	94.6	Very high	90.7	Very high	5 Å²	5	45 Å²	45	2%	0.019	21%	0.209	C	C	.	.	H	α-helix	trans	-61.2	-42.1	172.4	-64.8	-178.2	65.6	-173.3	0.9	111.5	W400 T403 R404 Q407 H408 V409 S415 V416 E481	W400-R412 HydrophobicContact CE3-CB 4.15Å; W400-R412 HydrophobicContact CH2-CB 3.67Å; W400-R412 HydrophobicContact CH2-CG 4.49Å; W400-R412 HydrophobicContact CZ3-CB 3.41Å; W400-R412 VanDerWaalsContact CZ3-CB 3.41Å; T403-R412 HydrophobicContact CG2-CB 4.46Å; T403-R412 PolarHBondContact OG1-NE 3.13Å; T403-R412 PolarHBondContact OG1-NH2 3.05Å; T403-R412 VanDerWaalsContact OG1-NH2 3.08Å; R404-R412 VanDerWaalsContact O-CD 3.31Å; R404-R412 WeakPolarHBondContact O-CD 3.5Å; R404-R412 PolarHBondContact O-NE 3.11Å; Q407-R412 HydrophobicContact CB-CG 3.71Å; Q407-R412 VanDerWaalsContact O-CD 3.32Å; Q407-R412 WeakPolarHBondContact O-CD 3.15Å; H408-R412 PolarHBondContact O-N 2.92Å; H408-R412 VanDerWaalsContact O-N 3.09Å; V409-R412 PolarHBondContact O-N 2.89Å; R412-S415 WeakPolarHBondContact CA-OG 3.43Å; R412-S415 PolarHBondContact O-OG 3.19Å; R412-V416 VanDerWaalsContact O-CG2 3.32Å; R412-V416 WeakPolarHBondContact O-CG2 3.49Å; R412-V416 PolarHBondContact O-N 2.97Å; R412-E481 IonicContact CZ-OE1 2.99Å; R412-E481 IonicContact NH1-OE1 3.38Å; R412-E481 PolarHBondContact NH1-OE1 3.36Å; R412-E481 IonicContact NH2-OE1 3.34Å; R412-E481 PolarHBondContact NH2-OE1 3.03Å
413	V	95.4	Very high	90.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-68	-40.3	175.4	175.8	0	0	0	0	111.8	A52 W400 V409 E411 S415 V416 F417 V475	A52-V413 HydrophobicContact CB-CB 4.07Å; A52-V413 HydrophobicContact CB-CG1 4.2Å; W400-V413 HydrophobicContact CE3-CG2 4.34Å; W400-V413 HydrophobicContact CZ3-CG2 3.63Å; V409-V413 WeakPolarHBondContact O-CG2 3.47Å; V409-V413 PolarHBondContact O-N 3.26Å; E411-V413 VanDerWaalsContact C-N 3.34Å; E411-V413 PolarHBondContact O-N 3.18Å; V413-S415 PolarHBondContact O-N 3.42Å; V413-V416 PolarHBondContact O-N 2.76Å; V413-F417 HydrophobicContact CG1-CD2 3.98Å; V413-F417 HydrophobicContact CG1-CE2 3.92Å; V413-F417 WeakPolarHBondContact O-CD2 3.41Å; V413-F417 PolarHBondContact O-N 2.92Å; V413-V475 HydrophobicContact CG1-CG2 4.4Å; V413-V475 HydrophobicContact CG2-CG2 3.76Å
414	A	95.9	Very high	90.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.7	-44.3	176.3	0	0	0	0	0	112.3	H45 R49 K410 E411 F417 E418	H45-A414 WeakPolarHBondContact O-CB 3.41Å; R49-A414 HydrophobicContact CB-CB 4.04Å; K410-A414 WeakPolarHBondContact O-CB 3.35Å; K410-A414 PolarHBondContact O-N 3Å; K410-A414 VanDerWaalsContact O-N 3.08Å; E411-A414 PolarHBondContact O-N 3.36Å; A414-F417 WeakPolarHBondContact O-CB 3.2Å; A414-F417 PolarHBondContact O-N 3.3Å; A414-E418 PolarHBondContact O-N 2.88Å
415	S	94.8	Very high	91.3	Very high	29 Å²	29	35.7 Å²	35.7	20%	0.203	18%	0.175	C	C	.	.	H	α-helix	trans	-66.9	-34.7	175	56.3	0	0	0	0	113.4	E411 R412 V413 E418 D419	E411-S415 PolarHBondContact O-N 3.11Å; E411-S415 PolarHBondContact O-OG 3.35Å; E411-S415 VanDerWaalsContact O-OG 3.08Å; R412-S415 WeakPolarHBondContact CA-OG 3.43Å; R412-S415 PolarHBondContact O-OG 3.19Å; V413-S415 PolarHBondContact O-N 3.42Å; S415-E418 PolarHBondContact O-N 2.95Å; S415-D419 PolarHBondContact O-N 3.11Å; S415-D419 VanDerWaalsContact O-N 3.08Å
416	V	95.6	Very high	91.8	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.1	-44.1	171.4	168.9	0	0	0	0	111.3	M396 W400 T403 R412 V413 D419 V420 L474	M396-V416 HydrophobicContact CB-CG1 4.22Å; M396-V416 HydrophobicContact CE-CG1 4.14Å; M396-V416 HydrophobicContact CG-CG1 4.33Å; W400-V416 HydrophobicContact CB-CG2 3.97Å; W400-V416 HydrophobicContact CE3-CG2 4.09Å; T403-V416 HydrophobicContact CG2-CG2 3.88Å; R412-V416 VanDerWaalsContact O-CG2 3.32Å; R412-V416 WeakPolarHBondContact O-CG2 3.49Å; R412-V416 PolarHBondContact O-N 2.97Å; V413-V416 PolarHBondContact O-N 2.76Å; V416-D419 PolarHBondContact O-N 3.07Å; V416-V420 HydrophobicContact CG1-CG2 4.49Å; V416-V420 WeakPolarHBondContact O-CB 3.4Å; V416-V420 WeakPolarHBondContact O-CG2 3.43Å; V416-V420 PolarHBondContact O-N 3.19Å; V416-L474 HydrophobicContact CG1-CD2 4.15Å
417	F	96.2	Very high	92.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.1	-45.9	177.5	-93	-124.8	0	0	0	111.8	F44 L47 G48 M396 V413 A414 D419 V420 M421 L467 S471	F44-F417 VanDerWaalsContact O-CB 3.28Å; F44-F417 WeakPolarHBondContact O-CB 3.4Å; L47-F417 HydrophobicContact CB-CD1 4.44Å; L47-F417 HydrophobicContact CD2-CD1 4.36Å; L47-F417 HydrophobicContact CD2-CE1 4.17Å; L47-F417 HydrophobicContact CG-CD1 4.28Å; L47-F417 HydrophobicContact CG-CE1 4.08Å; G48-F417 VanDerWaalsContact CA-CD1 3.48Å; G48-F417 VanDerWaalsContact CA-CG 3.5Å; M396-F417 HydrophobicContact CE-CD2 4.2Å; M396-F417 HydrophobicContact CE-CE2 3.75Å; V413-F417 HydrophobicContact CG1-CD2 3.98Å; V413-F417 HydrophobicContact CG1-CE2 3.92Å; V413-F417 WeakPolarHBondContact O-CD2 3.41Å; V413-F417 PolarHBondContact O-N 2.92Å; A414-F417 WeakPolarHBondContact O-CB 3.2Å; A414-F417 PolarHBondContact O-N 3.3Å; F417-D419 VanDerWaalsContact C-N 3.3Å; F417-D419 PolarHBondContact O-N 3.26Å; F417-V420 PolarHBondContact O-N 3.28Å; F417-M421 HydrophobicContact CB-CG 4.08Å; F417-M421 HydrophobicContact CD1-CG 3.76Å; F417-M421 HydrophobicContact CD2-CG 4.48Å; F417-M421 HydrophobicContact CE1-CG 4.32Å; F417-M421 HydrophobicContact CG-CG 3.86Å; F417-M421 VanDerWaalsContact O-CB 3.3Å; F417-M421 WeakPolarHBondContact O-CB 3.46Å; F417-M421 WeakPolarHBondContact O-CG 3.42Å; F417-M421 PolarHBondContact O-N 3.42Å; F417-L467 HydrophobicContact CE1-CD2 3.83Å; F417-L467 HydrophobicContact CZ-CD2 4.4Å; F417-S471 WeakPolarHBondContact CE2-OG 3.3Å; F417-S471 WeakPolarHBondContact CZ-OG 3.31Å
418	E	93.9	Very high	92.7	Very high	51 Å²	51	24.1 Å²	24.1	24%	0.238	13%	0.125	C	C	.	.	H	α-helix	trans	-57.9	-41.3	178.5	-167	-161.5	142.3	0	0	112.4	R41 H45 A414 S415	R41-E418 HydrophobicContact CB-CG 3.78Å; R41-E418 HydrophobicContact CG-CG 4.24Å; R41-E418 IonicContact CZ-OE1 2.74Å; R41-E418 IonicContact NE-OE1 2.67Å; R41-E418 PolarHBondContact NE-OE1 3.22Å; R41-E418 VanDerWaalsContact NE-OE1 3.1Å; R41-E418 IonicContact NH2-OE1 3.1Å; R41-E418 PolarHBondContact NH2-OE1 3.01Å; H45-E418 HydrophobicContact CB-CB 4.1Å; H45-E418 HydrophobicContact CB-CG 4.26Å; H45-E418 IonicContact ND1-OE2 3.25Å; H45-E418 PolarHBondContact ND1-OE2 3.23Å; A414-E418 PolarHBondContact O-N 2.88Å; S415-E418 PolarHBondContact O-N 2.95Å
419	D	90.1	Very high	92.6	Very high	26 Å²	26	22.1 Å²	22.1	14%	0.139	12%	0.117	C	C	.	.	H	α-helix	trans	-75.8	-45.1	-180	-166.7	18.7	0	0	0	111.5	S399 R402 S415 V416 F417 R423	S399-D419 PolarHBondContact OG-OD2 2.82Å; R402-D419 IonicContact CZ-OD2 3.33Å; R402-D419 VanDerWaalsContact CZ-OD2 3.29Å; R402-D419 IonicContact NH1-OD2 3.48Å; R402-D419 PolarHBondContact NH1-OD2 2.94Å; R402-D419 IonicContact NH2-OD2 2.64Å; R402-D419 PolarHBondContact NH2-OD2 3.43Å; S415-D419 PolarHBondContact O-N 3.11Å; S415-D419 VanDerWaalsContact O-N 3.08Å; V416-D419 PolarHBondContact O-N 3.07Å; F417-D419 VanDerWaalsContact C-N 3.3Å; F417-D419 PolarHBondContact O-N 3.26Å; D419-R423 VanDerWaalsContact O-CZ 3.26Å; D419-R423 PolarHBondContact O-NH1 3.02Å; D419-R423 IonicContact OD1-CZ 2.74Å; D419-R423 IonicContact OD1-NH1 3.83Å; D419-R423 PolarHBondContact OD1-NH1 2.68Å; D419-R423 IonicContact OD1-NH2 3.96Å; D419-R423 PolarHBondContact OD1-NH2 2.87Å
420	V	92.8	Very high	92.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-95.4	-42.1	-165	-178.8	0	0	0	0	114	E395 M396 V416 F417 L422 R423 F424	E395-V420 HydrophobicContact CB-CG1 4.1Å; E395-V420 HydrophobicContact CG-CB 4.4Å; E395-V420 HydrophobicContact CG-CG1 3.41Å; E395-V420 VanDerWaalsContact CG-CG1 3.41Å; E395-V420 HydrophobicContact CG-CG2 4.13Å; M396-V420 HydrophobicContact CG-CG1 4.1Å; V416-V420 HydrophobicContact CG1-CG2 4.49Å; V416-V420 WeakPolarHBondContact O-CB 3.4Å; V416-V420 WeakPolarHBondContact O-CG2 3.43Å; V416-V420 PolarHBondContact O-N 3.19Å; F417-V420 PolarHBondContact O-N 3.28Å; V420-L422 VanDerWaalsContact C-N 3.33Å; V420-L422 PolarHBondContact O-N 3.38Å; V420-R423 PolarHBondContact O-N 3.33Å; V420-R423 VanDerWaalsContact O-N 3.12Å; V420-F424 HydrophobicContact CG1-CB 4.41Å; V420-F424 PolarHBondContact O-N 3.32Å
421	M	92.3	Very high	92.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-66.6	-32.6	-162.2	-67.5	-64.7	102	0	0	113.5	F44 M396 F417 R423 F424 S425 L467	F44-M421 HydrophobicContact CB-CB 4.35Å; F44-M421 HydrophobicContact CD1-CB 3.44Å; F44-M421 VanDerWaalsContact CD1-CB 3.44Å; F44-M421 HydrophobicContact CD1-CG 4.2Å; F44-M421 HydrophobicContact CD2-CB 4.21Å; F44-M421 HydrophobicContact CE1-CB 3.65Å; F44-M421 HydrophobicContact CE2-CB 4.39Å; F44-M421 HydrophobicContact CG-CB 3.76Å; F44-M421 HydrophobicContact CZ-CB 4.13Å; M396-M421 HydrophobicContact CE-CE 4.23Å; M396-M421 HydrophobicContact CG-CE 3.59Å; M396-M421 HydrophobicContact SD-CE 3.62Å; F417-M421 HydrophobicContact CB-CG 4.08Å; F417-M421 HydrophobicContact CD1-CG 3.76Å; F417-M421 HydrophobicContact CD2-CG 4.48Å; F417-M421 HydrophobicContact CE1-CG 4.32Å; F417-M421 HydrophobicContact CG-CG 3.86Å; F417-M421 VanDerWaalsContact O-CB 3.3Å; F417-M421 WeakPolarHBondContact O-CB 3.46Å; F417-M421 WeakPolarHBondContact O-CG 3.42Å; F417-M421 PolarHBondContact O-N 3.42Å; M421-R423 VanDerWaalsContact C-N 3.35Å; M421-R423 PolarHBondContact O-N 3.37Å; M421-F424 HydrophobicContact CE-CD1 4.44Å; M421-S425 VanDerWaalsContact O-CB 3.23Å; M421-S425 WeakPolarHBondContact O-CB 3.4Å; M421-S425 PolarHBondContact O-N 2.88Å; M421-S425 PolarHBondContact O-OG 3Å; M421-L467 HydrophobicContact CG-CD2 4.17Å; M421-L467 HydrophobicContact SD-CD2 3.42Å; M421-L467 WeakPolarHBondContact SD-CD2 3.33Å
422	L	88.8	Confident	92.2	Very high	40 Å²	40	19.1 Å²	19.1	21%	0.209	11%	0.106	C	C	.	.	H	α-helix	trans	-60.8	-43.6	176.1	-179.6	61	0	0	0	112	L40 R41 F44 V420 G426	L40-L422 HydrophobicContact CB-CD1 4.15Å; L40-L422 HydrophobicContact CD1-CD1 3.8Å; R41-L422 HydrophobicContact CG-CD2 4.43Å; F44-L422 HydrophobicContact CD2-CB 4.19Å; F44-L422 HydrophobicContact CE2-CB 4Å; F44-L422 HydrophobicContact CE2-CD1 4.16Å; V420-L422 VanDerWaalsContact C-N 3.33Å; V420-L422 PolarHBondContact O-N 3.38Å; L422-G426 PolarHBondContact O-N 3.27Å
423	R	87.6	Confident	92	Very high	47 Å²	47	21.8 Å²	21.8	18%	0.177	12%	0.119	C	C	.	.	H	α-helix	trans	-74.3	-42.9	-178.7	-56.9	-178.1	-163	107.5	7.8	111.1	D419 V420 M421 S425 G426 S427 P818 C821	D419-R423 VanDerWaalsContact O-CZ 3.26Å; D419-R423 PolarHBondContact O-NH1 3.02Å; D419-R423 IonicContact OD1-CZ 2.74Å; D419-R423 IonicContact OD1-NH1 3.83Å; D419-R423 PolarHBondContact OD1-NH1 2.68Å; D419-R423 IonicContact OD1-NH2 3.96Å; D419-R423 PolarHBondContact OD1-NH2 2.87Å; V420-R423 PolarHBondContact O-N 3.33Å; V420-R423 VanDerWaalsContact O-N 3.12Å; M421-R423 VanDerWaalsContact C-N 3.35Å; M421-R423 PolarHBondContact O-N 3.37Å; R423-S425 VanDerWaalsContact C-N 3.34Å; R423-S425 PolarHBondContact O-N 2.77Å; R423-G426 PolarHBondContact O-N 3.15Å; R423-G426 VanDerWaalsContact O-N 3.17Å; R423-S427 PolarHBondContact O-N 2.96Å; R423-S427 VanDerWaalsContact O-N 3.08Å; R423-P818 HydrophobicContact CB-CG 4.35Å; R423-C821 HydrophobicContact CG-CB 4.39Å
424	F	91.3	Very high	91.7	Very high	3 Å²	3	21.9 Å²	21.9	1%	0.013	12%	0.12	C	C	.	.	H	α-helix	trans	-62.8	-39.9	177.1	-174.9	-116.5	0	0	0	112	H388 F391 G392 V420 M421 G426 S427 T428 Y463 M466	H388-F424 AromaticContact CE1-CE2 3.49Å; H388-F424 VanDerWaalsContact CE1-CE2 3.49Å; H388-F424 WeakPolarHBondContact CE1-CE2 3.48Å; H388-F424 AromaticContact CE1-CZ 3.8Å; H388-F424 AromaticContact NE2-CE2 3.75Å; H388-F424 AromaticContact NE2-CZ 3.55Å; F391-F424 HydrophobicContact CD1-CD2 4.22Å; F391-F424 HydrophobicContact CD1-CE2 4.36Å; F391-F424 HydrophobicContact CE1-CD2 4.49Å; G392-F424 VanDerWaalsContact CA-CE2 3.42Å; V420-F424 HydrophobicContact CG1-CB 4.41Å; V420-F424 PolarHBondContact O-N 3.32Å; M421-F424 HydrophobicContact CE-CD1 4.44Å; F424-G426 VanDerWaalsContact C-N 3.33Å; F424-G426 PolarHBondContact O-N 3.46Å; F424-S427 PolarHBondContact O-N 3.21Å; F424-T428 WeakPolarHBondContact O-CB 3.46Å; F424-T428 PolarHBondContact O-N 2.81Å; F424-T428 PolarHBondContact O-OG1 3.3Å; F424-Y463 AromaticContact CD1-CD2 3.93Å; F424-Y463 HydrophobicContact CD1-CD2 3.93Å; F424-Y463 HydrophobicContact CD1-CE2 4.01Å; F424-Y463 AromaticContact CE1-CD2 3.71Å; F424-Y463 HydrophobicContact CE1-CD2 3.71Å; F424-Y463 HydrophobicContact CE1-CE2 4.26Å; F424-M466 HydrophobicContact CE1-CB 4.13Å; F424-M466 HydrophobicContact CE1-CG 4.08Å; F424-M466 HydrophobicContact CZ-CG 4.21Å
425	S	92.1	Very high	91.5	Very high	27 Å²	27	21.9 Å²	21.9	19%	0.189	12%	0.12	C	C	.	.	H	α-helix	trans	-61.1	-41.2	172.8	-58	0	0	0	0	112	M421 R423 S427 T428 M429 Y463	M421-S425 VanDerWaalsContact O-CB 3.23Å; M421-S425 WeakPolarHBondContact O-CB 3.4Å; M421-S425 PolarHBondContact O-N 2.88Å; M421-S425 PolarHBondContact O-OG 3Å; R423-S425 VanDerWaalsContact C-N 3.34Å; R423-S425 PolarHBondContact O-N 2.77Å; S425-S427 PolarHBondContact O-N 3.47Å; S425-T428 PolarHBondContact O-N 3.35Å; S425-M429 WeakPolarHBondContact O-CB 3.44Å; S425-M429 PolarHBondContact O-N 3.15Å; S425-Y463 PolarHBondContact OG-OH 2.85Å
426	G	87.8	Confident	91.3	Very high	27 Å²	27	22 Å²	22	28%	0.278	13%	0.125	S	C	.	.	H	α-helix	trans	-59.4	-45.1	175.4	0	0	0	0	0	112.4	L422 R423 F424 M429 I430	L422-G426 PolarHBondContact O-N 3.27Å; R423-G426 PolarHBondContact O-N 3.15Å; R423-G426 VanDerWaalsContact O-N 3.17Å; F424-G426 VanDerWaalsContact C-N 3.33Å; F424-G426 PolarHBondContact O-N 3.46Å; G426-M429 PolarHBondContact O-N 2.56Å; G426-I430 WeakPolarHBondContact O-CG1 3.17Å; G426-I430 PolarHBondContact O-N 3.34Å
427	S	89.4	Confident	91	Very high	5 Å²	5	23.6 Å²	23.6	4%	0.035	13%	0.133	C	C	.	.	H	α-helix	trans	-68.7	-39.1	176.8	-163	0	0	0	0	113	R423 F424 S425 M429 I430 H431 D814	R423-S427 PolarHBondContact O-N 2.96Å; R423-S427 VanDerWaalsContact O-N 3.08Å; F424-S427 PolarHBondContact O-N 3.21Å; S425-S427 PolarHBondContact O-N 3.47Å; S427-M429 VanDerWaalsContact C-N 3.29Å; S427-M429 PolarHBondContact O-N 3.17Å; S427-I430 WeakPolarHBondContact O-CB 3.48Å; S427-I430 PolarHBondContact O-N 3.31Å; S427-I430 VanDerWaalsContact O-N 3.17Å; S427-H431 PolarHBondContact O-N 3.35Å; S427-H431 VanDerWaalsContact O-N 3.13Å; S427-H431 PolarHBondContact O-ND1 3.35Å; S427-D814 WeakPolarHBondContact CB-OD1 3.33Å; S427-D814 WeakPolarHBondContact OG-CA 3.49Å; S427-D814 PolarHBondContact OG-N 3.49Å; S427-D814 PolarHBondContact OG-OD1 2.96Å
428	T	93.4	Very high	90.6	Very high	4 Å²	4	23.6 Å²	23.6	3%	0.025	13%	0.133	C	C	.	.	H	α-helix	trans	-59.4	-42.5	173.8	-52.8	0	0	0	0	110.5	H388 F424 S425 I430 H431 L432 I459 Y463	H388-T428 PolarHBondContact CE1-OG1 2.97Å; H388-T428 PolarHBondContact NE2-OG1 3.46Å; F424-T428 WeakPolarHBondContact O-CB 3.46Å; F424-T428 PolarHBondContact O-N 2.81Å; F424-T428 PolarHBondContact O-OG1 3.3Å; S425-T428 PolarHBondContact O-N 3.35Å; T428-I430 VanDerWaalsContact C-N 3.31Å; T428-I430 PolarHBondContact O-N 3.48Å; T428-H431 WeakPolarHBondContact O-CB 3.35Å; T428-H431 PolarHBondContact O-N 3.21Å; T428-H431 VanDerWaalsContact O-N 3.14Å; T428-L432 HydrophobicContact CG2-CD1 4.31Å; T428-L432 HydrophobicContact CG2-CG 4.4Å; T428-L432 WeakPolarHBondContact O-CG 3.48Å; T428-L432 PolarHBondContact O-N 2.7Å; T428-I459 HydrophobicContact CG2-CG2 3.98Å; T428-Y463 HydrophobicContact CG2-CD2 4.02Å; T428-Y463 HydrophobicContact CG2-CG 4.08Å
429	M	90.6	Very high	90.4	Very high	66 Å²	66	22.6 Å²	22.6	33%	0.325	13%	0.134	S	C	.	.	H	α-helix	trans	-62.6	-35.9	177.2	-176.5	179.1	55.1	0	0	112.5	S425 G426 S427 L432 M433 F757 L761	S425-M429 WeakPolarHBondContact O-CB 3.44Å; S425-M429 PolarHBondContact O-N 3.15Å; G426-M429 PolarHBondContact O-N 2.56Å; S427-M429 VanDerWaalsContact C-N 3.29Å; S427-M429 PolarHBondContact O-N 3.17Å; M429-L432 PolarHBondContact O-N 3.19Å; M429-M433 VanDerWaalsContact O-CB 3.31Å; M429-M433 WeakPolarHBondContact O-CB 3.2Å; M429-M433 PolarHBondContact O-N 3.06Å; M429-F757 HydrophobicContact CE-CE1 4.2Å; M429-F757 HydrophobicContact CE-CZ 4.17Å; M429-F757 HydrophobicContact CG-CE1 4Å; M429-F757 HydrophobicContact CG-CZ 3.88Å; M429-F757 HydrophobicContact SD-CE1 4.23Å; M429-F757 HydrophobicContact SD-CZ 3.75Å; M429-L761 HydrophobicContact CE-CD1 3.26Å; M429-L761 HydrophobicContact CE-CD2 4.04Å; M429-L761 HydrophobicContact CE-CG 4.29Å; M429-L761 HydrophobicContact SD-CD1 4.31Å; M429-L761 HydrophobicContact SD-CD2 4.34Å
430	I	89.1	Confident	90.2	Very high	9 Å²	9	22.7 Å²	22.7	5%	0.046	14%	0.137	C	C	.	.	H	α-helix	trans	-64.4	-42.2	173.9	-64.6	165.1	0	0	0	110.4	G426 S427 T428 M433 T434 L758 L775 A813	G426-I430 WeakPolarHBondContact O-CG1 3.17Å; G426-I430 PolarHBondContact O-N 3.34Å; S427-I430 WeakPolarHBondContact O-CB 3.48Å; S427-I430 PolarHBondContact O-N 3.31Å; S427-I430 VanDerWaalsContact O-N 3.17Å; T428-I430 VanDerWaalsContact C-N 3.31Å; T428-I430 PolarHBondContact O-N 3.48Å; I430-M433 PolarHBondContact O-N 3.4Å; I430-T434 HydrophobicContact CG2-CG2 4.2Å; I430-T434 WeakPolarHBondContact O-CB 3.22Å; I430-T434 VanDerWaalsContact O-CG2 3.3Å; I430-T434 WeakPolarHBondContact O-CG2 3.38Å; I430-T434 PolarHBondContact O-N 2.73Å; I430-T434 PolarHBondContact O-OG1 2.9Å; I430-L758 HydrophobicContact CD1-CD2 3.8Å; I430-L758 HydrophobicContact CG1-CD2 3.98Å; I430-L775 HydrophobicContact CD1-CD2 4.01Å; I430-A813 HydrophobicContact CB-CB 4.38Å; I430-A813 HydrophobicContact CD1-CB 3.77Å; I430-A813 HydrophobicContact CG2-CB 3.99Å
431	H	91.1	Very high	89.7	Confident	6 Å²	6	28.5 Å²	28.5	3%	0.028	18%	0.175	C	C	.	.	H	α-helix	trans	-60.6	-48.8	173.6	-75.5	83	0	0	0	112	H388 S427 T428 M433 T434 L435 I459 G810 D814	H388-H431 AromaticContact ND1-CE1 3.51Å; H388-H431 AromaticContact ND1-ND1 3.79Å; S427-H431 PolarHBondContact O-N 3.35Å; S427-H431 VanDerWaalsContact O-N 3.13Å; S427-H431 PolarHBondContact O-ND1 3.35Å; T428-H431 WeakPolarHBondContact O-CB 3.35Å; T428-H431 PolarHBondContact O-N 3.21Å; T428-H431 VanDerWaalsContact O-N 3.14Å; H431-M433 VanDerWaalsContact C-N 3.31Å; H431-M433 PolarHBondContact O-N 3.31Å; H431-T434 PolarHBondContact O-N 3.02Å; H431-T434 PolarHBondContact O-OG1 3Å; H431-L435 VanDerWaalsContact O-CB 3.27Å; H431-L435 WeakPolarHBondContact O-CB 3.44Å; H431-L435 WeakPolarHBondContact O-CG 3.32Å; H431-L435 PolarHBondContact O-N 2.93Å; H431-I459 HydrophobicContact CB-CD1 3.95Å; H431-I459 HydrophobicContact CB-CG2 4.21Å; H431-G810 WeakPolarHBondContact CE1-CA 3.41Å; H431-G810 PolarHBondContact CE1-O 3.24Å; H431-G810 WeakPolarHBondContact NE2-CA 3.34Å; H431-D814 VanDerWaalsContact CE1-CG 3.5Å; H431-D814 IonicContact CE1-OD1 3.35Å; H431-D814 PolarHBondContact CE1-OD1 3.19Å; H431-D814 IonicContact CE1-OD2 2.8Å; H431-D814 PolarHBondContact CE1-OD2 3.36Å; H431-D814 IonicContact ND1-OD1 2.9Å; H431-D814 IonicContact NE2-OD2 3.69Å
432	L	93.1	Very high	89.1	Confident	56 Å²	56	34 Å²	34	29%	0.293	20%	0.204	S	C	.	.	H	α-helix	trans	-62.4	-39.2	179.6	-63.5	178.4	0	0	0	111.7	T428 M429 G436 V456 I459 T460	T428-L432 HydrophobicContact CG2-CD1 4.31Å; T428-L432 HydrophobicContact CG2-CG 4.4Å; T428-L432 WeakPolarHBondContact O-CG 3.48Å; T428-L432 PolarHBondContact O-N 2.7Å; M429-L432 PolarHBondContact O-N 3.19Å; L432-G436 VanDerWaalsContact O-CA 3.24Å; L432-G436 WeakPolarHBondContact O-CA 3.41Å; L432-G436 PolarHBondContact O-N 3.24Å; L432-V456 HydrophobicContact CD2-CG1 3.91Å; L432-I459 HydrophobicContact CD2-CG2 4.22Å; L432-T460 WeakPolarHBondContact CD2-OG1 3.36Å
433	M	90.1	Very high	88.8	Confident	61 Å²	61	32.3 Å²	32.3	30%	0.3	20%	0.195	S	C	.	.	H	α-helix	trans	-68.5	-52.9	177.3	-176.9	60.3	80.2	0	0	111.7	M429 I430 H431 G436 L437 F757	M429-M433 VanDerWaalsContact O-CB 3.31Å; M429-M433 WeakPolarHBondContact O-CB 3.2Å; M429-M433 PolarHBondContact O-N 3.06Å; I430-M433 PolarHBondContact O-N 3.4Å; H431-M433 VanDerWaalsContact C-N 3.31Å; H431-M433 PolarHBondContact O-N 3.31Å; M433-G436 PolarHBondContact O-N 3.03Å; M433-L437 HydrophobicContact CG-CD1 4.14Å; M433-L437 WeakPolarHBondContact O-CB 3.22Å; M433-L437 VanDerWaalsContact O-CG 3.25Å; M433-L437 WeakPolarHBondContact O-CG 3.47Å; M433-L437 PolarHBondContact O-N 2.8Å; M433-L437 HydrophobicContact SD-CD1 4.15Å; M433-L437 HydrophobicContact SD-CG 4.13Å; M433-F757 HydrophobicContact CB-CD1 4.06Å; M433-F757 HydrophobicContact CB-CE1 3.99Å; M433-F757 HydrophobicContact CE-CD1 4.12Å; M433-F757 HydrophobicContact CE-CD2 3.27Å; M433-F757 HydrophobicContact CE-CE1 4.01Å; M433-F757 HydrophobicContact CE-CE2 3.15Å; M433-F757 HydrophobicContact CE-CG 3.75Å; M433-F757 HydrophobicContact CE-CZ 3.53Å; M433-F757 HydrophobicContact CG-CB 4.27Å; M433-F757 HydrophobicContact CG-CD1 3.72Å; M433-F757 HydrophobicContact CG-CD2 4.39Å; M433-F757 HydrophobicContact CG-CE1 4.07Å; M433-F757 HydrophobicContact CG-CG 3.86Å; M433-F757 HydrophobicContact SD-CD2 4.47Å; M433-F757 HydrophobicContact SD-CG 4.47Å
434	T	89.4	Confident	88.5	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.012	20%	0.195	C	C	.	.	H	α-helix	trans	-62.3	-47.7	-177.1	50	0	0	0	0	112.1	I430 H431 A438 A754 L809	I430-T434 HydrophobicContact CG2-CG2 4.2Å; I430-T434 WeakPolarHBondContact O-CB 3.22Å; I430-T434 VanDerWaalsContact O-CG2 3.3Å; I430-T434 WeakPolarHBondContact O-CG2 3.38Å; I430-T434 PolarHBondContact O-N 2.73Å; I430-T434 PolarHBondContact O-OG1 2.9Å; H431-T434 PolarHBondContact O-N 3.02Å; H431-T434 PolarHBondContact O-OG1 3Å; T434-A438 PolarHBondContact O-N 3.45Å; T434-A438 VanDerWaalsContact O-N 3.16Å; T434-A754 HydrophobicContact CG2-CB 3.7Å; T434-L809 HydrophobicContact CG2-CB 4.21Å; T434-L809 HydrophobicContact CG2-CD1 4.12Å
435	L	91.8	Very high	88.1	Confident	1 Å²	1	32 Å²	32	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-72.7	-33.3	176.8	-64.5	164.1	0	0	0	111.6	H431 A438 A439 C452 A455 V456 I459 I806 T807	H431-L435 VanDerWaalsContact O-CB 3.27Å; H431-L435 WeakPolarHBondContact O-CB 3.44Å; H431-L435 WeakPolarHBondContact O-CG 3.32Å; H431-L435 PolarHBondContact O-N 2.93Å; L435-A438 CarbonylContact O-C 3.45Å; L435-A438 PolarHBondContact O-N 2.81Å; L435-A439 WeakPolarHBondContact O-CB 3.44Å; L435-A439 PolarHBondContact O-N 3.27Å; L435-C452 HydrophobicContact CB-CB 4.42Å; L435-C452 HydrophobicContact CD2-CB 4.36Å; L435-C452 WeakPolarHBondContact O-CB 3.25Å; L435-A455 HydrophobicContact CD1-CB 4.06Å; L435-A455 HydrophobicContact CD2-CB 4.4Å; L435-V456 HydrophobicContact CB-CG2 3.44Å; L435-V456 VanDerWaalsContact CB-CG2 3.44Å; L435-I459 HydrophobicContact CD1-CD1 3.37Å; L435-I806 HydrophobicContact CD2-CG2 3.87Å; L435-T807 HydrophobicContact CD2-CG2 4.42Å
436	G	91.8	Very high	87.9	Confident	30 Å²	30	32.4 Å²	32.4	31%	0.309	20%	0.195	S	C	.	.	H	α-helix	trans	-63.9	-42.7	174.9	0	0	0	0	0	112.6	L432 M433 A438 A439 S440	L432-G436 VanDerWaalsContact O-CA 3.24Å; L432-G436 WeakPolarHBondContact O-CA 3.41Å; L432-G436 PolarHBondContact O-N 3.24Å; M433-G436 PolarHBondContact O-N 3.03Å; G436-A438 VanDerWaalsContact C-N 3.34Å; G436-A438 PolarHBondContact O-N 3.2Å; G436-A439 PolarHBondContact O-N 3.04Å; G436-S440 PolarHBondContact O-N 3.02Å; G436-S440 VanDerWaalsContact O-N 3.12Å
437	L	88.8	Confident	87.9	Confident	34 Å²	34	31.3 Å²	31.3	18%	0.178	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-41.8	172.8	-72	171.4	0	0	0	111.3	M433 A439 S440 L442 L753	M433-L437 HydrophobicContact CG-CD1 4.14Å; M433-L437 WeakPolarHBondContact O-CB 3.22Å; M433-L437 VanDerWaalsContact O-CG 3.25Å; M433-L437 WeakPolarHBondContact O-CG 3.47Å; M433-L437 PolarHBondContact O-N 2.8Å; M433-L437 HydrophobicContact SD-CD1 4.15Å; M433-L437 HydrophobicContact SD-CG 4.13Å; L437-A439 VanDerWaalsContact C-N 3.32Å; L437-A439 PolarHBondContact O-N 3.2Å; L437-S440 VanDerWaalsContact O-CB 3.29Å; L437-S440 WeakPolarHBondContact O-CB 3.48Å; L437-S440 PolarHBondContact O-N 3.25Å; L437-S440 PolarHBondContact O-OG 3.45Å; L437-L442 HydrophobicContact CD2-CD1 4.41Å; L437-L753 HydrophobicContact CD1-CB 3.74Å; L437-L753 HydrophobicContact CD1-CD1 4.32Å
438	A	87.4	Confident	87.8	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-70.1	-26.4	175.8	0	0	0	0	0	113.7	T434 L435 G436 S440 T443 C452 I806	T434-A438 PolarHBondContact O-N 3.45Å; T434-A438 VanDerWaalsContact O-N 3.16Å; L435-A438 CarbonylContact O-C 3.45Å; L435-A438 PolarHBondContact O-N 2.81Å; G436-A438 VanDerWaalsContact C-N 3.34Å; G436-A438 PolarHBondContact O-N 3.2Å; A438-S440 VanDerWaalsContact C-N 3.28Å; A438-T443 VanDerWaalsContact O-CB 3.32Å; A438-T443 WeakPolarHBondContact O-CB 3.17Å; A438-T443 PolarHBondContact O-OG1 3.44Å; A438-T443 VanDerWaalsContact O-OG1 3.13Å; A438-C452 HydrophobicContact CB-CB 4Å; A438-C452 WeakPolarHBondContact CB-SG 3.19Å; A438-I806 HydrophobicContact CB-CD1 3.76Å; A438-I806 HydrophobicContact CB-CG2 4.14Å
439	A	89.4	Confident	87.6	Confident	31 Å²	31	32.7 Å²	32.7	26%	0.256	19%	0.188	S	C	.	.	H	α-helix	trans	-75.7	-18	172.4	0	0	0	0	0	112.8	L435 G436 L437 C452 R453	L435-A439 WeakPolarHBondContact O-CB 3.44Å; L435-A439 PolarHBondContact O-N 3.27Å; G436-A439 PolarHBondContact O-N 3.04Å; L437-A439 VanDerWaalsContact C-N 3.32Å; L437-A439 PolarHBondContact O-N 3.2Å; A439-C452 HydrophobicContact CB-CB 3.99Å; A439-R453 HydrophobicContact CB-CB 4.24Å
440	S	86.6	Confident	87.6	Confident	28 Å²	28	30.4 Å²	30.4	20%	0.196	18%	0.177	C	C	.	.	S	Bend	trans	-75.3	165.3	-177.4	83.7	0	0	0	0	113	G436 L437 A438 L442 T443 R449	G436-S440 PolarHBondContact O-N 3.02Å; G436-S440 VanDerWaalsContact O-N 3.12Å; L437-S440 VanDerWaalsContact O-CB 3.29Å; L437-S440 WeakPolarHBondContact O-CB 3.48Å; L437-S440 PolarHBondContact O-N 3.25Å; L437-S440 PolarHBondContact O-OG 3.45Å; A438-S440 VanDerWaalsContact C-N 3.28Å; S440-L442 PolarHBondContact O-N 3.01Å; S440-L442 WeakPolarHBondContact OG-CB 3.48Å; S440-L442 WeakPolarHBondContact OG-CG 3.45Å; S440-L442 PolarHBondContact OG-N 3.4Å; S440-T443 PolarHBondContact O-N 3.41Å; S440-T443 VanDerWaalsContact O-N 3.09Å; S440-R449 VanDerWaalsContact O-CD 3.31Å; S440-R449 WeakPolarHBondContact O-CD 3.33Å
441	P	81.3	Confident	87.8	Confident	122 Å²	122	30 Å²	30	79%	0.792	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-10.8	175.7	-23.2	34.5	0	0	0	114.9	T443	P441-T443 PolarHBondContact O-N 2.92Å
442	L	79.6	Confident	87.9	Confident	116 Å²	116	29.7 Å²	29.7	61%	0.607	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.8	172.9	-60.2	175.4	0	0	0	112.3	L437 S440	L437-L442 HydrophobicContact CD2-CD1 4.41Å; S440-L442 PolarHBondContact O-N 3.01Å; S440-L442 WeakPolarHBondContact OG-CB 3.48Å; S440-L442 WeakPolarHBondContact OG-CG 3.45Å; S440-L442 PolarHBondContact OG-N 3.4Å
443	T	83.3	Confident	87.9	Confident	3 Å²	3	32.8 Å²	32.8	2%	0.018	18%	0.181	C	C	.	.			trans	-96.9	114.3	175.3	-57.8	0	0	0	0	110.6	A438 S440 P441 M445 V448 R449 H750	A438-T443 VanDerWaalsContact O-CB 3.32Å; A438-T443 WeakPolarHBondContact O-CB 3.17Å; A438-T443 PolarHBondContact O-OG1 3.44Å; A438-T443 VanDerWaalsContact O-OG1 3.13Å; S440-T443 PolarHBondContact O-N 3.41Å; S440-T443 VanDerWaalsContact O-N 3.09Å; P441-T443 PolarHBondContact O-N 2.92Å; T443-M445 HydrophobicContact CG2-CB 4.5Å; T443-M445 PolarHBondContact O-N 3.07Å; T443-V448 HydrophobicContact CG2-CB 3.94Å; T443-V448 HydrophobicContact CG2-CG1 3.84Å; T443-R449 HydrophobicContact CG2-CG 4.39Å; T443-R449 VanDerWaalsContact O-CD 3.26Å; T443-R449 WeakPolarHBondContact O-CD 3.03Å; T443-R449 PolarHBondContact O-NE 2.71Å; T443-R449 VanDerWaalsContact O-NE 3.11Å; T443-H750 PolarHBondContact OG1-CE1 3.09Å; T443-H750 PolarHBondContact OG1-NE2 3.46Å
444	N	80.9	Confident	88	Confident	36 Å²	36	30.2 Å²	30.2	19%	0.193	17%	0.168	C	C	.	.			trans	-74.8	-10	-174.7	-160.5	8.4	0	0	0	114	P88 K89 H90	P88-N444 CarbonylContact C-O 3.56Å; P88-N444 WeakPolarHBondContact CA-O 3.44Å; P88-N444 WeakPolarHBondContact CB-ND2 3.28Å; K89-N444 PolarHBondContact N-O 3.33Å; K89-N444 PolarHBondContact N-OD1 3.33Å; H90-N444 PolarHBondContact N-OD1 3.2Å; H90-N444 PolarHBondContact O-ND2 2.95Å; H90-N444 PolarHBondContact O-OD1 3.47Å
445	M	83.8	Confident	88.3	Confident	7 Å²	7	30.1 Å²	30.1	3%	0.034	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-96.4	123.1	-179.1	-55.9	-170.6	82.2	0	0	111.9	L86 T443 V448 R449 R739 C799	L86-M445 VanDerWaalsContact O-CE 3.25Å; L86-M445 WeakPolarHBondContact O-CE 3.46Å; T443-M445 HydrophobicContact CG2-CB 4.5Å; T443-M445 PolarHBondContact O-N 3.07Å; M445-V448 HydrophobicContact CB-CB 4.24Å; M445-V448 HydrophobicContact CB-CG2 3.95Å; M445-V448 PolarHBondContact O-N 3.3Å; M445-V448 HydrophobicContact SD-CG2 4.35Å; M445-R449 PolarHBondContact O-N 3.19Å; M445-R449 VanDerWaalsContact O-N 3.16Å; M445-R739 HydrophobicContact CE-CG 4.12Å; M445-R739 VanDerWaalsContact CE-CZ 3.45Å; M445-C799 HydrophobicContact CE-CB 3.77Å; M445-C799 HydrophobicContact SD-CB 4.29Å
446	E	86.6	Confident	88.4	Confident	37 Å²	37	31.7 Å²	31.7	17%	0.173	18%	0.177	C	C	.	.	H	α-helix	trans	-67.3	-41.9	-177.6	-170.8	73	-117.1	0	0	112.2	S84 K89 V448 R449 L450	S84-E446 WeakPolarHBondContact O-CB 3.42Å; K89-E446 IonicContact NZ-OE2 2.74Å; E446-V448 VanDerWaalsContact C-N 3.27Å; E446-V448 PolarHBondContact O-N 3.04Å; E446-R449 PolarHBondContact O-N 3.18Å; E446-R449 VanDerWaalsContact O-N 3.16Å; E446-R449 IonicContact OE1-CZ 3.29Å; E446-R449 IonicContact OE1-NH1 2.77Å; E446-R449 PolarHBondContact OE1-NH1 3.5Å; E446-R449 IonicContact OE1-NH2 2.92Å; E446-R449 IonicContact OE2-CZ 2.73Å; E446-R449 VanDerWaalsContact OE2-CZ 3.25Å; E446-R449 IonicContact OE2-NH1 3.55Å; E446-R449 PolarHBondContact OE2-NH1 3.37Å; E446-R449 VanDerWaalsContact OE2-NH1 3.09Å; E446-R449 IonicContact OE2-NH2 2.67Å; E446-R449 PolarHBondContact OE2-NH2 3.31Å; E446-L450 HydrophobicContact CG-CD1 3.93Å; E446-L450 HydrophobicContact CG-CG 4.17Å; E446-L450 WeakPolarHBondContact O-CB 3.44Å; E446-L450 WeakPolarHBondContact O-CG 3.44Å; E446-L450 PolarHBondContact O-N 2.91Å
447	A	87.6	Confident	88.6	Confident	3 Å²	3	32.4 Å²	32.4	3%	0.025	17%	0.174	C	C	.	.	H	α-helix	trans	-57.5	-39.4	177.8	0	0	0	0	0	112.9	L85 T377 F451	L85-A447 HydrophobicContact CB-CB 4.25Å; L85-A447 HydrophobicContact CD2-CB 4.46Å; L85-A447 WeakPolarHBondContact O-CB 3.41Å; L85-A447 PolarHBondContact O-N 2.95Å; T377-A447 HydrophobicContact CG2-CB 4.23Å; A447-F451 WeakPolarHBondContact O-CB 3.46Å; A447-F451 PolarHBondContact O-N 2.94Å
448	V	88.2	Confident	89	Confident	3 Å²	3	31 Å²	31	2%	0.018	17%	0.167	C	C	.	.	H	α-helix	trans	-69.8	-44.6	177.6	-179.4	0	0	0	0	110.3	T443 M445 E446 L450 F451 C452 C799 V802 I806	T443-V448 HydrophobicContact CG2-CB 3.94Å; T443-V448 HydrophobicContact CG2-CG1 3.84Å; M445-V448 HydrophobicContact CB-CB 4.24Å; M445-V448 HydrophobicContact CB-CG2 3.95Å; M445-V448 PolarHBondContact O-N 3.3Å; M445-V448 HydrophobicContact SD-CG2 4.35Å; E446-V448 VanDerWaalsContact C-N 3.27Å; E446-V448 PolarHBondContact O-N 3.04Å; V448-L450 PolarHBondContact O-N 3.02Å; V448-F451 PolarHBondContact O-N 3.21Å; V448-C452 WeakPolarHBondContact O-CB 3.43Å; V448-C452 PolarHBondContact O-N 2.98Å; V448-C452 PolarHBondContact O-SG 3.27Å; V448-C799 HydrophobicContact CG2-CB 4.21Å; V448-V802 HydrophobicContact CG2-CG1 4.36Å; V448-I806 HydrophobicContact CG1-CD1 4Å
449	R	89.6	Confident	89.4	Confident	36 Å²	36	31 Å²	31	14%	0.136	17%	0.167	C	C	.	.	H	α-helix	trans	-60	-47.6	177.7	-78.3	-167	-76.2	106.1	2.9	112.4	K89 S440 T443 M445 E446 C452 R453	K89-R449 VanDerWaalsContact CD-NH2 3.28Å; S440-R449 VanDerWaalsContact O-CD 3.31Å; S440-R449 WeakPolarHBondContact O-CD 3.33Å; T443-R449 HydrophobicContact CG2-CG 4.39Å; T443-R449 VanDerWaalsContact O-CD 3.26Å; T443-R449 WeakPolarHBondContact O-CD 3.03Å; T443-R449 PolarHBondContact O-NE 2.71Å; T443-R449 VanDerWaalsContact O-NE 3.11Å; M445-R449 PolarHBondContact O-N 3.19Å; M445-R449 VanDerWaalsContact O-N 3.16Å; E446-R449 PolarHBondContact O-N 3.18Å; E446-R449 VanDerWaalsContact O-N 3.16Å; E446-R449 IonicContact OE1-CZ 3.29Å; E446-R449 IonicContact OE1-NH1 2.77Å; E446-R449 PolarHBondContact OE1-NH1 3.5Å; E446-R449 IonicContact OE1-NH2 2.92Å; E446-R449 IonicContact OE2-CZ 2.73Å; E446-R449 VanDerWaalsContact OE2-CZ 3.25Å; E446-R449 IonicContact OE2-NH1 3.55Å; E446-R449 PolarHBondContact OE2-NH1 3.37Å; E446-R449 VanDerWaalsContact OE2-NH1 3.09Å; E446-R449 IonicContact OE2-NH2 2.67Å; E446-R449 PolarHBondContact OE2-NH2 3.31Å; R449-C452 PolarHBondContact O-N 3.46Å; R449-R453 WeakPolarHBondContact O-CB 3.35Å; R449-R453 PolarHBondContact O-N 3.26Å
450	L	91.1	Very high	89.8	Confident	17 Å²	17	32 Å²	32	9%	0.089	17%	0.17	C	C	.	.	H	α-helix	trans	-64	-43.5	178.9	-70.5	177.6	0	0	0	111.7	L85 Y378 E446 V448 R453 N454	L85-L450 HydrophobicContact CD2-CD1 3.81Å; Y378-L450 HydrophobicContact CE1-CB 4.3Å; E446-L450 HydrophobicContact CG-CD1 3.93Å; E446-L450 HydrophobicContact CG-CG 4.17Å; E446-L450 WeakPolarHBondContact O-CB 3.44Å; E446-L450 WeakPolarHBondContact O-CG 3.44Å; E446-L450 PolarHBondContact O-N 2.91Å; V448-L450 PolarHBondContact O-N 3.02Å; L450-R453 VanDerWaalsContact CD2-NH2 3.33Å; L450-N454 PolarHBondContact O-N 3.31Å; L450-N454 VanDerWaalsContact O-N 3.14Å; L450-N454 PolarHBondContact O-OD1 2.69Å
451	F	92.6	Very high	90.3	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	16%	0.163	C	C	.	.	H	α-helix	trans	-58.6	-51.9	174.6	-179.4	-75.1	0	0	0	110.8	T377 Y378 I381 V384 A447 V448 R453 N454 A455 L803 T807	T377-F451 WeakPolarHBondContact O-CD2 3.36Å; T377-F451 WeakPolarHBondContact O-CE2 3.5Å; Y378-F451 HydrophobicContact CD1-CB 4.33Å; Y378-F451 HydrophobicContact CD1-CD2 4.08Å; Y378-F451 HydrophobicContact CE1-CB 4.34Å; I381-F451 HydrophobicContact CB-CE2 4.21Å; I381-F451 HydrophobicContact CB-CZ 4.26Å; I381-F451 HydrophobicContact CD1-CD2 4.21Å; I381-F451 HydrophobicContact CD1-CE2 4.2Å; I381-F451 HydrophobicContact CG1-CD2 3.68Å; I381-F451 HydrophobicContact CG1-CE1 4.13Å; I381-F451 HydrophobicContact CG1-CE2 3.2Å; I381-F451 HydrophobicContact CG1-CG 4.34Å; I381-F451 HydrophobicContact CG1-CZ 3.47Å; I381-F451 VanDerWaalsContact CG1-CZ 3.47Å; V384-F451 HydrophobicContact CG2-CE1 4.47Å; V384-F451 HydrophobicContact CG2-CZ 4.15Å; A447-F451 WeakPolarHBondContact O-CB 3.46Å; A447-F451 PolarHBondContact O-N 2.94Å; V448-F451 PolarHBondContact O-N 3.21Å; F451-R453 VanDerWaalsContact C-N 3.34Å; F451-R453 PolarHBondContact O-N 3.22Å; F451-N454 PolarHBondContact O-N 2.85Å; F451-N454 VanDerWaalsContact O-N 3.16Å; F451-A455 HydrophobicContact CD1-CB 4.19Å; F451-A455 HydrophobicContact CE1-CB 3.88Å; F451-A455 WeakPolarHBondContact O-CB 3.21Å; F451-A455 PolarHBondContact O-N 3.35Å; F451-L803 HydrophobicContact CB-CD1 4.33Å; F451-L803 HydrophobicContact CB-CD2 4.3Å; F451-L803 HydrophobicContact CD1-CD1 3.03Å; F451-L803 HydrophobicContact CD1-CD2 3.63Å; F451-L803 HydrophobicContact CD1-CG 3.85Å; F451-L803 HydrophobicContact CD2-CD1 4.38Å; F451-L803 HydrophobicContact CD2-CD2 3.31Å; F451-L803 HydrophobicContact CD2-CG 4.4Å; F451-L803 HydrophobicContact CE1-CD1 3.26Å; F451-L803 HydrophobicContact CE1-CD2 3.67Å; F451-L803 HydrophobicContact CE1-CG 3.83Å; F451-L803 HydrophobicContact CE2-CD2 3.32Å; F451-L803 HydrophobicContact CE2-CG 4.35Å; F451-L803 HydrophobicContact CG-CD1 3.67Å; F451-L803 HydrophobicContact CG-CD2 3.46Å; F451-L803 VanDerWaalsContact CG-CD2 3.46Å; F451-L803 HydrophobicContact CG-CG 4.15Å; F451-L803 HydrophobicContact CZ-CD1 4.02Å; F451-L803 HydrophobicContact CZ-CD2 3.51Å; F451-L803 HydrophobicContact CZ-CG 4.07Å; F451-T807 HydrophobicContact CE1-CG2 4.47Å
452	C	92.4	Very high	91	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-65.8	-39.1	-174.1	-65.3	0	0	0	0	111.2	L435 A438 A439 V448 R449 N454 A455 V456	L435-C452 HydrophobicContact CB-CB 4.42Å; L435-C452 HydrophobicContact CD2-CB 4.36Å; L435-C452 WeakPolarHBondContact O-CB 3.25Å; A438-C452 HydrophobicContact CB-CB 4Å; A438-C452 WeakPolarHBondContact CB-SG 3.19Å; A439-C452 HydrophobicContact CB-CB 3.99Å; V448-C452 WeakPolarHBondContact O-CB 3.43Å; V448-C452 PolarHBondContact O-N 2.98Å; V448-C452 PolarHBondContact O-SG 3.27Å; R449-C452 PolarHBondContact O-N 3.46Å; C452-N454 VanDerWaalsContact C-N 3.31Å; C452-N454 PolarHBondContact O-N 3.5Å; C452-A455 PolarHBondContact O-N 3.1Å; C452-V456 WeakPolarHBondContact O-CB 3.13Å; C452-V456 VanDerWaalsContact O-CG2 3.26Å; C452-V456 WeakPolarHBondContact O-CG2 3.48Å; C452-V456 PolarHBondContact O-N 2.92Å
453	R	92.7	Very high	91.8	Very high	121 Å²	121	22.2 Å²	22.2	46%	0.457	11%	0.107	S	C	.	.	H	α-helix	trans	-56.8	-45.8	173	-175	179.7	69.8	-178.5	1.6	111.8	A439 R449 L450 F451 L457	A439-R453 HydrophobicContact CB-CB 4.24Å; R449-R453 WeakPolarHBondContact O-CB 3.35Å; R449-R453 PolarHBondContact O-N 3.26Å; L450-R453 VanDerWaalsContact CD2-NH2 3.33Å; F451-R453 VanDerWaalsContact C-N 3.34Å; F451-R453 PolarHBondContact O-N 3.22Å; R453-L457 PolarHBondContact O-N 3.49Å
454	N	93.5	Very high	92.5	Very high	6 Å²	6	26.4 Å²	26.4	3%	0.032	13%	0.128	C	C	.	.	H	α-helix	trans	-69.9	-39.1	179.8	-65.7	-3.6	0	0	0	111.8	L367 Y378 I381 L450 F451 C452 L457 A458	L367-N454 HydrophobicContact CD1-CB 3.72Å; L367-N454 VanDerWaalsContact CD1-OD1 3.31Å; L367-N454 WeakPolarHBondContact CD1-OD1 3.36Å; L367-N454 VanDerWaalsContact CD2-OD1 3.22Å; L367-N454 WeakPolarHBondContact CD2-OD1 3.17Å; Y378-N454 VanDerWaalsContact CE1-ND2 3.33Å; Y378-N454 WeakPolarHBondContact CE1-ND2 3.27Å; Y378-N454 VanDerWaalsContact CE2-ND2 3.27Å; Y378-N454 WeakPolarHBondContact CE2-ND2 3.38Å; Y378-N454 PolarHBondContact OH-ND2 3.44Å; I381-N454 HydrophobicContact CD1-CB 3.79Å; L450-N454 PolarHBondContact O-N 3.31Å; L450-N454 VanDerWaalsContact O-N 3.14Å; L450-N454 PolarHBondContact O-OD1 2.69Å; F451-N454 PolarHBondContact O-N 2.85Å; F451-N454 VanDerWaalsContact O-N 3.16Å; C452-N454 VanDerWaalsContact C-N 3.31Å; C452-N454 PolarHBondContact O-N 3.5Å; N454-L457 PolarHBondContact O-N 3.04Å; N454-A458 WeakPolarHBondContact O-CB 3.47Å; N454-A458 PolarHBondContact O-N 3.44Å
455	A	94.5	Very high	93.2	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.008	12%	0.119	C	C	.	.	H	α-helix	trans	-65.5	-40.3	176.8	0	0	0	0	0	112.1	L435 F451 C452 A458 I459	L435-A455 HydrophobicContact CD1-CB 4.06Å; L435-A455 HydrophobicContact CD2-CB 4.4Å; F451-A455 HydrophobicContact CD1-CB 4.19Å; F451-A455 HydrophobicContact CE1-CB 3.88Å; F451-A455 WeakPolarHBondContact O-CB 3.21Å; F451-A455 PolarHBondContact O-N 3.35Å; C452-A455 PolarHBondContact O-N 3.1Å; A455-A458 PolarHBondContact O-N 2.86Å; A455-I459 WeakPolarHBondContact O-CB 3.35Å; A455-I459 VanDerWaalsContact O-CG1 3.26Å; A455-I459 WeakPolarHBondContact O-CG1 3.47Å; A455-I459 PolarHBondContact O-N 3.3Å
456	V	95.3	Very high	93.8	Very high	33 Å²	33	24.6 Å²	24.6	20%	0.2	12%	0.118	C	C	.	.	H	α-helix	trans	-57.8	-49.2	173.6	167.3	0	0	0	0	110.8	L432 L435 C452 A458 I459 T460	L432-V456 HydrophobicContact CD2-CG1 3.91Å; L435-V456 HydrophobicContact CB-CG2 3.44Å; L435-V456 VanDerWaalsContact CB-CG2 3.44Å; C452-V456 WeakPolarHBondContact O-CB 3.13Å; C452-V456 VanDerWaalsContact O-CG2 3.26Å; C452-V456 WeakPolarHBondContact O-CG2 3.48Å; C452-V456 PolarHBondContact O-N 2.92Å; V456-A458 VanDerWaalsContact C-N 3.34Å; V456-A458 PolarHBondContact O-N 3.45Å; V456-I459 PolarHBondContact O-N 3.06Å; V456-T460 WeakPolarHBondContact O-CB 3.47Å; V456-T460 PolarHBondContact O-N 3.21Å; V456-T460 PolarHBondContact O-OG1 3.04Å
457	L	95.8	Very high	94.2	Very high	46 Å²	46	24.2 Å²	24.2	24%	0.241	12%	0.117	C	C	.	.	H	α-helix	trans	-60.9	-45.9	178	-179.8	63.6	0	0	0	111.1	A363 I366 L367 R453 N454 T460 I461	A363-L457 HydrophobicContact CB-CG 4.35Å; I366-L457 HydrophobicContact CB-CD2 4.19Å; I366-L457 HydrophobicContact CG2-CD2 3.99Å; L367-L457 HydrophobicContact CD1-CD2 4.34Å; L367-L457 HydrophobicContact CD2-CD2 3.95Å; L367-L457 HydrophobicContact CG-CD2 3.81Å; R453-L457 PolarHBondContact O-N 3.49Å; N454-L457 PolarHBondContact O-N 3.04Å; L457-T460 PolarHBondContact O-N 3.26Å; L457-I461 HydrophobicContact CD1-CD1 3.84Å; L457-I461 HydrophobicContact CD1-CG1 4.36Å; L457-I461 HydrophobicContact CG-CD1 3.87Å; L457-I461 WeakPolarHBondContact O-CG1 3.47Å; L457-I461 PolarHBondContact O-N 3.06Å
458	A	96.5	Very high	94.6	Very high	3 Å²	3	24.6 Å²	24.6	3%	0.025	12%	0.119	C	C	.	.	H	α-helix	trans	-63.6	-42.2	-179.5	0	0	0	0	0	112.9	A363 I381 M385 N454 A455 V456 I461 S462	A363-A458 HydrophobicContact CB-CB 3.85Å; I381-A458 HydrophobicContact CG2-CB 4.49Å; M385-A458 HydrophobicContact CE-CB 3.92Å; M385-A458 HydrophobicContact CG-CB 4.13Å; M385-A458 HydrophobicContact SD-CB 3.62Å; N454-A458 WeakPolarHBondContact O-CB 3.47Å; N454-A458 PolarHBondContact O-N 3.44Å; A455-A458 PolarHBondContact O-N 2.86Å; V456-A458 VanDerWaalsContact C-N 3.34Å; V456-A458 PolarHBondContact O-N 3.45Å; A458-I461 PolarHBondContact O-N 3.31Å; A458-S462 VanDerWaalsContact O-CB 3.25Å; A458-S462 WeakPolarHBondContact O-CB 3.48Å; A458-S462 PolarHBondContact O-N 2.82Å
459	I	96.4	Very high	95	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-66.3	-41.4	175.9	-70	170.3	0	0	0	110.8	V384 T428 H431 L432 L435 A455 V456 I461 S462 Y463	V384-I459 HydrophobicContact CG1-CD1 3.99Å; T428-I459 HydrophobicContact CG2-CG2 3.98Å; H431-I459 HydrophobicContact CB-CD1 3.95Å; H431-I459 HydrophobicContact CB-CG2 4.21Å; L432-I459 HydrophobicContact CD2-CG2 4.22Å; L435-I459 HydrophobicContact CD1-CD1 3.37Å; A455-I459 WeakPolarHBondContact O-CB 3.35Å; A455-I459 VanDerWaalsContact O-CG1 3.26Å; A455-I459 WeakPolarHBondContact O-CG1 3.47Å; A455-I459 PolarHBondContact O-N 3.3Å; V456-I459 PolarHBondContact O-N 3.06Å; I459-I461 PolarHBondContact O-N 3.3Å; I459-S462 WeakPolarHBondContact O-CB 3.42Å; I459-S462 PolarHBondContact O-N 2.79Å; I459-Y463 PolarHBondContact O-N 2.96Å
460	T	96.6	Very high	95.4	Very high	51 Å²	51	23.2 Å²	23.2	31%	0.313	11%	0.114	S	C	.	.	H	α-helix	trans	-59.9	-47.2	177.2	-55.7	0	0	0	0	111.2	L432 V456 L457 S462 Y463 I464	L432-T460 WeakPolarHBondContact CD2-OG1 3.36Å; V456-T460 WeakPolarHBondContact O-CB 3.47Å; V456-T460 PolarHBondContact O-N 3.21Å; V456-T460 PolarHBondContact O-OG1 3.04Å; L457-T460 PolarHBondContact O-N 3.26Å; T460-S462 VanDerWaalsContact C-N 3.35Å; T460-Y463 WeakPolarHBondContact O-CB 3.26Å; T460-Y463 PolarHBondContact O-N 3.41Å; T460-I464 WeakPolarHBondContact O-CG1 3.41Å; T460-I464 PolarHBondContact O-N 3.46Å; T460-I464 VanDerWaalsContact O-N 3.16Å
461	I	97.3	Very high	95.6	Very high	12 Å²	12	22.4 Å²	22.4	6%	0.062	11%	0.11	C	C	.	.	H	α-helix	trans	-67.6	-39	177.8	-65.1	166.2	0	0	0	110.5	T362 A363 I366 L457 A458 I459 Y463 I464 Y465	T362-I461 HydrophobicContact CG2-CD1 4.1Å; T362-I461 HydrophobicContact CG2-CG2 3.85Å; A363-I461 HydrophobicContact CB-CD1 3.78Å; I366-I461 HydrophobicContact CD1-CD1 3.68Å; L457-I461 HydrophobicContact CD1-CD1 3.84Å; L457-I461 HydrophobicContact CD1-CG1 4.36Å; L457-I461 HydrophobicContact CG-CD1 3.87Å; L457-I461 WeakPolarHBondContact O-CG1 3.47Å; L457-I461 PolarHBondContact O-N 3.06Å; A458-I461 PolarHBondContact O-N 3.31Å; I459-I461 PolarHBondContact O-N 3.3Å; I461-Y463 VanDerWaalsContact C-N 3.3Å; I461-Y463 PolarHBondContact O-N 3.46Å; I461-I464 PolarHBondContact O-N 2.87Å; I461-Y465 HydrophobicContact CG2-CD1 4.11Å; I461-Y465 HydrophobicContact CG2-CE1 3.94Å; I461-Y465 WeakPolarHBondContact O-CD1 3.25Å; I461-Y465 PolarHBondContact O-N 3.31Å
462	S	96.7	Very high	95.8	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.021	11%	0.11	C	C	.	.	H	α-helix	trans	-60.3	-39.9	175.7	-164.7	0	0	0	0	111.9	A458 I459 T460 Y465 M466	A458-S462 VanDerWaalsContact O-CB 3.25Å; A458-S462 WeakPolarHBondContact O-CB 3.48Å; A458-S462 PolarHBondContact O-N 2.82Å; I459-S462 WeakPolarHBondContact O-CB 3.42Å; I459-S462 PolarHBondContact O-N 2.79Å; T460-S462 VanDerWaalsContact C-N 3.35Å; S462-Y465 PolarHBondContact O-N 3.48Å; S462-M466 WeakPolarHBondContact O-CG 3.35Å; S462-M466 PolarHBondContact O-N 3.41Å
463	Y	96.8	Very high	95.9	Very high	47 Å²	47	22.8 Å²	22.8	18%	0.184	11%	0.112	C	C	.	.	H	α-helix	trans	-62.3	-43.4	174	174.9	-98.5	0	0	0	112	F424 S425 T428 I459 T460 I461 Y465 M466 L467	F424-Y463 AromaticContact CD1-CD2 3.93Å; F424-Y463 HydrophobicContact CD1-CD2 3.93Å; F424-Y463 HydrophobicContact CD1-CE2 4.01Å; F424-Y463 AromaticContact CE1-CD2 3.71Å; F424-Y463 HydrophobicContact CE1-CD2 3.71Å; F424-Y463 HydrophobicContact CE1-CE2 4.26Å; S425-Y463 PolarHBondContact OG-OH 2.85Å; T428-Y463 HydrophobicContact CG2-CD2 4.02Å; T428-Y463 HydrophobicContact CG2-CG 4.08Å; I459-Y463 PolarHBondContact O-N 2.96Å; T460-Y463 WeakPolarHBondContact O-CB 3.26Å; T460-Y463 PolarHBondContact O-N 3.41Å; I461-Y463 VanDerWaalsContact C-N 3.3Å; I461-Y463 PolarHBondContact O-N 3.46Å; Y463-Y465 VanDerWaalsContact C-N 3.31Å; Y463-Y465 PolarHBondContact O-N 3.29Å; Y463-M466 WeakPolarHBondContact O-CB 3.38Å; Y463-M466 PolarHBondContact O-N 2.88Å; Y463-L467 HydrophobicContact CD1-CD1 4.12Å; Y463-L467 HydrophobicContact CE1-CD1 3.47Å; Y463-L467 VanDerWaalsContact CE1-CD1 3.47Å; Y463-L467 HydrophobicContact CE1-CG 4.33Å; Y463-L467 PolarHBondContact O-N 3.26Å; Y463-L467 VanDerWaalsContact O-N 3.13Å
464	I	96.9	Very high	96	Very high	90 Å²	90	17 Å²	17	46%	0.462	9%	0.091	S	C	.	.	H	α-helix	trans	-62.2	-39.8	174.8	-63.9	167.4	0	0	0	111	T460 I461 L467 S468	T460-I464 WeakPolarHBondContact O-CG1 3.41Å; T460-I464 PolarHBondContact O-N 3.46Å; T460-I464 VanDerWaalsContact O-N 3.16Å; I461-I464 PolarHBondContact O-N 2.87Å; I464-L467 PolarHBondContact O-N 2.74Å; I464-S468 WeakPolarHBondContact O-CB 3.33Å; I464-S468 PolarHBondContact O-N 3.18Å; I464-S468 PolarHBondContact O-OG 3.07Å
465	Y	97.3	Very high	96.1	Very high	5 Å²	5	16.8 Å²	16.8	2%	0.02	9%	0.089	C	C	.	.	H	α-helix	trans	-73	-29.8	-179.8	-80.8	27.6	0	0	0	112.2	P62 L358 T362 I461 S462 Y463 S468 F469 Y470	P62-Y465 HydrophobicContact CB-CD1 4.12Å; P62-Y465 HydrophobicContact CB-CD2 4.21Å; P62-Y465 HydrophobicContact CB-CE1 3.8Å; P62-Y465 HydrophobicContact CB-CE2 3.91Å; P62-Y465 HydrophobicContact CB-CG 4.32Å; P62-Y465 PolarHBondContact O-OH 3.29Å; P62-Y465 VanDerWaalsContact O-OH 3.05Å; L358-Y465 HydrophobicContact CB-CD2 4.05Å; L358-Y465 HydrophobicContact CB-CE2 3.75Å; T362-Y465 PolarHBondContact OG1-OH 3.04Å; I461-Y465 HydrophobicContact CG2-CD1 4.11Å; I461-Y465 HydrophobicContact CG2-CE1 3.94Å; I461-Y465 WeakPolarHBondContact O-CD1 3.25Å; I461-Y465 PolarHBondContact O-N 3.31Å; S462-Y465 PolarHBondContact O-N 3.48Å; Y463-Y465 VanDerWaalsContact C-N 3.31Å; Y463-Y465 PolarHBondContact O-N 3.29Å; Y465-S468 WeakPolarHBondContact CA-OG 3.42Å; Y465-S468 PolarHBondContact O-N 3.14Å; Y465-F469 PolarHBondContact O-N 3.19Å; Y465-Y470 PolarHBondContact O-N 3.08Å
466	M	95.4	Very high	96.1	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	11%	0.107	C	C	.	.	I	π-helix	trans	-61.3	-47.7	168.5	-78	-61.1	-57.5	0	0	111.4	S393 M396 F424 S462 Y463 S468 Y470 S471	S393-M466 PolarHBondContact OG-SD 3.13Å; M396-M466 HydrophobicContact CG-CE 4.47Å; M396-M466 HydrophobicContact SD-CE 3.59Å; M396-M466 VanDerWaalsContact SD-CE 3.59Å; F424-M466 HydrophobicContact CE1-CB 4.13Å; F424-M466 HydrophobicContact CE1-CG 4.08Å; F424-M466 HydrophobicContact CZ-CG 4.21Å; S462-M466 WeakPolarHBondContact O-CG 3.35Å; S462-M466 PolarHBondContact O-N 3.41Å; Y463-M466 WeakPolarHBondContact O-CB 3.38Å; Y463-M466 PolarHBondContact O-N 2.88Å; M466-S468 VanDerWaalsContact C-N 3.31Å; M466-S468 PolarHBondContact O-N 2.81Å; M466-Y470 HydrophobicContact CE-CD1 3.54Å; M466-Y470 HydrophobicContact CE-CE1 4.05Å; M466-Y470 HydrophobicContact CE-CG 4.14Å; M466-Y470 HydrophobicContact SD-CD1 4.06Å; M466-Y470 HydrophobicContact SD-CG 4.04Å; M466-S471 PolarHBondContact O-N 3.39Å; M466-S471 PolarHBondContact O-OG 3.04Å
467	L	95.4	Very high	95.9	Very high	28 Å²	28	20.2 Å²	20.2	15%	0.147	10%	0.103	C	C	.	.	I	π-helix	trans	-66.3	-29.4	177.9	-67.9	175.1	0	0	0	113.8	L47 F417 M421 Y463 I464 S471	L47-L467 HydrophobicContact CD2-CD2 4.28Å; F417-L467 HydrophobicContact CE1-CD2 3.83Å; F417-L467 HydrophobicContact CZ-CD2 4.4Å; M421-L467 HydrophobicContact CG-CD2 4.17Å; M421-L467 HydrophobicContact SD-CD2 3.42Å; M421-L467 WeakPolarHBondContact SD-CD2 3.33Å; Y463-L467 HydrophobicContact CD1-CD1 4.12Å; Y463-L467 HydrophobicContact CE1-CD1 3.47Å; Y463-L467 VanDerWaalsContact CE1-CD1 3.47Å; Y463-L467 HydrophobicContact CE1-CG 4.33Å; Y463-L467 PolarHBondContact O-N 3.26Å; Y463-L467 VanDerWaalsContact O-N 3.13Å; I464-L467 PolarHBondContact O-N 2.74Å; L467-S471 VanDerWaalsContact O-CB 3.32Å; L467-S471 WeakPolarHBondContact O-CB 3.48Å; L467-S471 PolarHBondContact O-OG 3.45Å
468	S	95.9	Very high	95.7	Very high	11 Å²	11	18 Å²	18	8%	0.077	9%	0.092	C	C	.	.	I	π-helix	trans	-104	-80.6	-175.7	53.1	0	0	0	0	112.4	F58 I464 Y465 M466 S472	F58-S468 CarbonylContact O-C 3.6Å; I464-S468 WeakPolarHBondContact O-CB 3.33Å; I464-S468 PolarHBondContact O-N 3.18Å; I464-S468 PolarHBondContact O-OG 3.07Å; Y465-S468 WeakPolarHBondContact CA-OG 3.42Å; Y465-S468 PolarHBondContact O-N 3.14Å; M466-S468 VanDerWaalsContact C-N 3.31Å; M466-S468 PolarHBondContact O-N 2.81Å; S468-S472 WeakPolarHBondContact O-CB 3.46Å; S468-S472 PolarHBondContact O-N 3.04Å; S468-S472 PolarHBondContact O-OG 3.02Å
469	F	97.1	Very high	95.5	Very high	11 Å²	11	21.4 Å²	21.4	5%	0.048	10%	0.104	C	C	.	.	I	π-helix	trans	-58.9	-54.9	-173.1	179.6	-100.1	0	0	0	112.9	F58 A59 P62 V63 L351 L354 L358 Y465 S471 S472 C473	F58-F469 WeakPolarHBondContact O-CA 3.48Å; F58-F469 PolarHBondContact O-N 3.08Å; A59-F469 WeakPolarHBondContact O-CD2 3.49Å; P62-F469 HydrophobicContact CB-CB 4.06Å; P62-F469 HydrophobicContact CG-CB 4.04Å; V63-F469 HydrophobicContact CG2-CD2 4.01Å; V63-F469 HydrophobicContact CG2-CE2 3.62Å; L351-F469 HydrophobicContact CD2-CZ 4.41Å; L354-F469 HydrophobicContact CD2-CZ 3.99Å; L354-F469 HydrophobicContact CG-CE1 4.45Å; L354-F469 HydrophobicContact CG-CZ 4.31Å; L358-F469 HydrophobicContact CD1-CE1 4.31Å; L358-F469 HydrophobicContact CD1-CE2 4.23Å; L358-F469 HydrophobicContact CD1-CZ 4.09Å; Y465-F469 PolarHBondContact O-N 3.19Å; F469-S471 PolarHBondContact O-N 3.33Å; F469-S472 WeakPolarHBondContact O-CB 3.1Å; F469-S472 PolarHBondContact O-N 2.99Å; F469-C473 PolarHBondContact O-N 3.37Å; F469-C473 PolarHBondContact O-SG 3.18Å
470	Y	96.7	Very high	95.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.115	C	C	.	.	I	π-helix	trans	-67	-40.7	-176.4	-175.9	-102.5	0	0	0	111.9	L348 A352 S393 M396 Y465 M466 S472 C473 L474	L348-Y470 HydrophobicContact CD1-CE2 3.89Å; L348-Y470 WeakPolarHBondContact CD2-OH 3.5Å; L348-Y470 HydrophobicContact CG-CE2 3.87Å; A352-Y470 HydrophobicContact CB-CD2 4.21Å; A352-Y470 HydrophobicContact CB-CE2 3.72Å; S393-Y470 VanDerWaalsContact CB-CZ 3.47Å; S393-Y470 WeakPolarHBondContact CB-OH 3.26Å; S393-Y470 PolarHBondContact O-OH 3.14Å; M396-Y470 HydrophobicContact CB-CE1 4.07Å; M396-Y470 HydrophobicContact CE-CD1 4.49Å; M396-Y470 HydrophobicContact SD-CD1 3.76Å; M396-Y470 HydrophobicContact SD-CE1 3.98Å; Y465-Y470 PolarHBondContact O-N 3.08Å; M466-Y470 HydrophobicContact CE-CD1 3.54Å; M466-Y470 HydrophobicContact CE-CE1 4.05Å; M466-Y470 HydrophobicContact CE-CG 4.14Å; M466-Y470 HydrophobicContact SD-CD1 4.06Å; M466-Y470 HydrophobicContact SD-CG 4.04Å; Y470-S472 VanDerWaalsContact C-N 3.29Å; Y470-S472 PolarHBondContact O-N 3.45Å; Y470-C473 VanDerWaalsContact O-CB 3.31Å; Y470-C473 WeakPolarHBondContact O-CB 3.13Å; Y470-C473 PolarHBondContact O-N 2.99Å; Y470-C473 VanDerWaalsContact O-N 3.12Å; Y470-L474 PolarHBondContact O-N 2.87Å
471	S	95.5	Very high	94.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.8	-37.2	174.5	-65.1	0	0	0	0	112.6	M396 F417 M466 L467 F469 L474 V475	M396-S471 WeakPolarHBondContact CE-OG 3.28Å; F417-S471 WeakPolarHBondContact CE2-OG 3.3Å; F417-S471 WeakPolarHBondContact CZ-OG 3.31Å; M466-S471 PolarHBondContact O-N 3.39Å; M466-S471 PolarHBondContact O-OG 3.04Å; L467-S471 VanDerWaalsContact O-CB 3.32Å; L467-S471 WeakPolarHBondContact O-CB 3.48Å; L467-S471 PolarHBondContact O-OG 3.45Å; F469-S471 PolarHBondContact O-N 3.33Å; S471-L474 WeakPolarHBondContact O-CB 3.39Å; S471-L474 PolarHBondContact O-N 2.9Å; S471-V475 WeakPolarHBondContact O-CG2 3.42Å; S471-V475 PolarHBondContact O-N 3.06Å; S471-V475 VanDerWaalsContact O-N 3.13Å
472	S	96.5	Very high	94.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-68	-37.8	173.9	-57.3	0	0	0	0	112.1	A55 F58 S468 F469 Y470 L474 V475 F476	A55-S472 WeakPolarHBondContact O-CB 3.47Å; A55-S472 PolarHBondContact O-OG 3.34Å; F58-S472 WeakPolarHBondContact CB-OG 3.37Å; S468-S472 WeakPolarHBondContact O-CB 3.46Å; S468-S472 PolarHBondContact O-N 3.04Å; S468-S472 PolarHBondContact O-OG 3.02Å; F469-S472 WeakPolarHBondContact O-CB 3.1Å; F469-S472 PolarHBondContact O-N 2.99Å; Y470-S472 VanDerWaalsContact C-N 3.29Å; Y470-S472 PolarHBondContact O-N 3.45Å; S472-L474 VanDerWaalsContact C-N 3.26Å; S472-L474 PolarHBondContact O-N 3.45Å; S472-V475 WeakPolarHBondContact O-CB 3.3Å; S472-V475 PolarHBondContact O-N 3.4Å; S472-V475 VanDerWaalsContact O-N 3.15Å; S472-F476 WeakPolarHBondContact O-CD2 3.24Å; S472-F476 PolarHBondContact O-N 3.32Å; S472-F476 VanDerWaalsContact O-N 3.08Å
473	C	95.7	Very high	93.9	Very high	8 Å²	8	31.1 Å²	31.1	5%	0.054	15%	0.146	C	C	.	.	H	α-helix	trans	-60.4	-37.9	171.5	-63.1	0	0	0	0	111.7	L348 L351 F469 Y470 V475 F476 T477	L348-C473 HydrophobicContact CD1-CB 3.97Å; L351-C473 HydrophobicContact CB-CB 4.44Å; L351-C473 HydrophobicContact CD1-CB 3.94Å; F469-C473 PolarHBondContact O-N 3.37Å; F469-C473 PolarHBondContact O-SG 3.18Å; Y470-C473 VanDerWaalsContact O-CB 3.31Å; Y470-C473 WeakPolarHBondContact O-CB 3.13Å; Y470-C473 PolarHBondContact O-N 2.99Å; Y470-C473 VanDerWaalsContact O-N 3.12Å; C473-V475 VanDerWaalsContact C-N 3.35Å; C473-V475 PolarHBondContact O-N 3.4Å; C473-F476 PolarHBondContact O-N 3.36Å; C473-T477 WeakPolarHBondContact O-CG2 3.33Å; C473-T477 PolarHBondContact O-N 2.83Å; C473-T477 PolarHBondContact O-OG1 2.83Å; C473-T477 VanDerWaalsContact O-OG1 3.13Å
474	L	94.4	Very high	93.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.6	-40.5	174.1	-167.8	67.7	0	0	0	111.8	L348 M396 W400 V416 Y470 S471 S472 T477 G478	L348-L474 HydrophobicContact CD2-CD1 3.85Å; M396-L474 HydrophobicContact CE-CD2 4.15Å; W400-L474 HydrophobicContact CB-CD1 4.11Å; W400-L474 HydrophobicContact CB-CD2 4.45Å; W400-L474 HydrophobicContact CD2-CD1 4Å; W400-L474 HydrophobicContact CD2-CD2 4.43Å; W400-L474 HydrophobicContact CD2-CG 4.18Å; W400-L474 HydrophobicContact CE3-CD1 4.2Å; W400-L474 HydrophobicContact CE3-CD2 3.88Å; W400-L474 HydrophobicContact CE3-CG 3.86Å; W400-L474 HydrophobicContact CG-CD1 3.95Å; W400-L474 HydrophobicContact CZ3-CG 4.42Å; V416-L474 HydrophobicContact CG1-CD2 4.15Å; Y470-L474 PolarHBondContact O-N 2.87Å; S471-L474 WeakPolarHBondContact O-CB 3.39Å; S471-L474 PolarHBondContact O-N 2.9Å; S472-L474 VanDerWaalsContact C-N 3.26Å; S472-L474 PolarHBondContact O-N 3.45Å; L474-T477 PolarHBondContact O-N 2.58Å; L474-T477 PolarHBondContact O-OG1 3.21Å; L474-G478 PolarHBondContact O-N 3.42Å
475	V	95.6	Very high	93	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-60.2	-50	174.8	177.5	0	0	0	0	111.3	A52 A55 V409 V413 S471 S472 C473 T477 G478 Y479	A52-V475 HydrophobicContact CB-CG2 3.86Å; A55-V475 HydrophobicContact CB-CB 3.99Å; A55-V475 HydrophobicContact CB-CG1 3.83Å; A55-V475 HydrophobicContact CB-CG2 4.19Å; V409-V475 HydrophobicContact CG1-CG1 4.11Å; V413-V475 HydrophobicContact CG1-CG2 4.4Å; V413-V475 HydrophobicContact CG2-CG2 3.76Å; S471-V475 WeakPolarHBondContact O-CG2 3.42Å; S471-V475 PolarHBondContact O-N 3.06Å; S471-V475 VanDerWaalsContact O-N 3.13Å; S472-V475 WeakPolarHBondContact O-CB 3.3Å; S472-V475 PolarHBondContact O-N 3.4Å; S472-V475 VanDerWaalsContact O-N 3.15Å; C473-V475 VanDerWaalsContact C-N 3.35Å; C473-V475 PolarHBondContact O-N 3.4Å; V475-T477 PolarHBondContact O-N 3.23Å; V475-G478 WeakPolarHBondContact O-CA 3.24Å; V475-G478 PolarHBondContact O-N 2.82Å; V475-G478 VanDerWaalsContact O-N 3.12Å; V475-Y479 HydrophobicContact CG1-CD2 3.82Å; V475-Y479 HydrophobicContact CG1-CE2 3.52Å; V475-Y479 VanDerWaalsContact O-CD2 3.31Å; V475-Y479 WeakPolarHBondContact O-CD2 3.43Å; V475-Y479 PolarHBondContact O-N 2.99Å
476	F	93.7	Very high	92.5	Very high	88 Å²	88	33.8 Å²	33.8	39%	0.386	15%	0.151	S	C	.	.	H	α-helix	trans	-62.3	-44	-179.7	-67.7	-57.1	0	0	0	112.2	A55 V56 A59 S472 C473 G478 Y479 L480	A55-F476 HydrophobicContact CB-CZ 4.32Å; V56-F476 HydrophobicContact CG2-CE1 4.39Å; V56-F476 HydrophobicContact CG2-CZ 4.11Å; A59-F476 HydrophobicContact CB-CE2 3.87Å; S472-F476 WeakPolarHBondContact O-CD2 3.24Å; S472-F476 PolarHBondContact O-N 3.32Å; S472-F476 VanDerWaalsContact O-N 3.08Å; C473-F476 PolarHBondContact O-N 3.36Å; F476-G478 VanDerWaalsContact C-N 3.26Å; F476-G478 PolarHBondContact O-N 3.16Å; F476-Y479 PolarHBondContact O-N 3.07Å; F476-L480 PolarHBondContact O-N 3.32Å; F476-L480 VanDerWaalsContact O-N 3.14Å
477	T	92.1	Very high	91.9	Very high	18 Å²	18	34.2 Å²	34.2	11%	0.11	16%	0.155	C	C	.	.	H	α-helix	trans	-67.8	-27.9	175.5	61	0	0	0	0	112.4	K345 L348 C473 L474 V475 L480 E481	K345-T477 VanDerWaalsContact NZ-C 3.31Å; K345-T477 PolarHBondContact NZ-O 3.34Å; L348-T477 HydrophobicContact CD1-CG2 4.28Å; C473-T477 WeakPolarHBondContact O-CG2 3.33Å; C473-T477 PolarHBondContact O-N 2.83Å; C473-T477 PolarHBondContact O-OG1 2.83Å; C473-T477 VanDerWaalsContact O-OG1 3.13Å; L474-T477 PolarHBondContact O-N 2.58Å; L474-T477 PolarHBondContact O-OG1 3.21Å; V475-T477 PolarHBondContact O-N 3.23Å; T477-L480 PolarHBondContact O-N 3.06Å; T477-E481 PolarHBondContact O-N 3.28Å; T477-E481 VanDerWaalsContact O-N 3.16Å
478	G	91.3	Very high	91.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.6	-43	171.1	0	0	0	0	0	112.5	W400 L474 V475 F476 L480 E481 T482	W400-G478 VanDerWaalsContact CZ2-CA 3.47Å; L474-G478 PolarHBondContact O-N 3.42Å; V475-G478 WeakPolarHBondContact O-CA 3.24Å; V475-G478 PolarHBondContact O-N 2.82Å; V475-G478 VanDerWaalsContact O-N 3.12Å; F476-G478 VanDerWaalsContact C-N 3.26Å; F476-G478 PolarHBondContact O-N 3.16Å; G478-L480 VanDerWaalsContact C-N 3.31Å; G478-L480 PolarHBondContact O-N 3.18Å; G478-E481 WeakPolarHBondContact O-CB 3.35Å; G478-E481 PolarHBondContact O-N 3.26Å; G478-T482 PolarHBondContact O-N 3.3Å; G478-T482 PolarHBondContact O-OG1 3.17Å; G478-T482 VanDerWaalsContact O-OG1 3.14Å
479	Y	91.9	Very high	90.8	Very high	74 Å²	74	39.9 Å²	39.9	29%	0.29	18%	0.183	S	C	.	.	H	α-helix	trans	-66	-30.5	174.4	-78.5	-63.6	0	0	0	113.6	V409 V475 F476 R483	V409-Y479 HydrophobicContact CB-CD1 4.37Å; V409-Y479 HydrophobicContact CB-CE1 4.09Å; V409-Y479 HydrophobicContact CB-CE2 4.38Å; V409-Y479 HydrophobicContact CG1-CD2 4.18Å; V409-Y479 HydrophobicContact CG1-CE2 4.09Å; V409-Y479 HydrophobicContact CG1-CG 4.48Å; V409-Y479 HydrophobicContact CG2-CD1 3.83Å; V409-Y479 HydrophobicContact CG2-CE1 3.96Å; V409-Y479 HydrophobicContact CG2-CG 4.2Å; V475-Y479 HydrophobicContact CG1-CD2 3.82Å; V475-Y479 HydrophobicContact CG1-CE2 3.52Å; V475-Y479 VanDerWaalsContact O-CD2 3.31Å; V475-Y479 WeakPolarHBondContact O-CD2 3.43Å; V475-Y479 PolarHBondContact O-N 2.99Å; F476-Y479 PolarHBondContact O-N 3.07Å; Y479-R483 WeakPolarHBondContact O-CB 3.33Å; Y479-R483 VanDerWaalsContact O-CG 3.25Å; Y479-R483 WeakPolarHBondContact O-CG 3.45Å; Y479-R483 PolarHBondContact O-N 3.34Å
480	L	90.1	Very high	90.1	Very high	45 Å²	45	41.7 Å²	41.7	24%	0.236	20%	0.197	C	C	.	.	H	α-helix	trans	-65.4	-43.2	171.5	-68.1	175.5	0	0	0	111.4	F476 T477 G478 R483 Y484 R485	F476-L480 PolarHBondContact O-N 3.32Å; F476-L480 VanDerWaalsContact O-N 3.14Å; T477-L480 PolarHBondContact O-N 3.06Å; G478-L480 VanDerWaalsContact C-N 3.31Å; G478-L480 PolarHBondContact O-N 3.18Å; L480-R483 PolarHBondContact O-N 2.79Å; L480-Y484 PolarHBondContact O-N 3.27Å; L480-R485 HydrophobicContact CD2-CB 4.44Å; L480-R485 PolarHBondContact O-N 2.89Å; L480-R485 VanDerWaalsContact O-N 3.09Å
481	E	88.5	Confident	89.6	Confident	14 Å²	14	50.7 Å²	50.7	7%	0.065	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-51.4	177.4	-172.5	-176.1	138.6	0	0	111.1	V342 K345 W400 R412 T477 G478 R483 Y484	V342-E481 HydrophobicContact CG1-CG 4.22Å; K345-E481 WeakPolarHBondContact CE-OE2 3.36Å; K345-E481 IonicContact NZ-OE2 2.68Å; K345-E481 PolarHBondContact NZ-OE2 3.27Å; W400-E481 PolarHBondContact NE1-OE2 2.8Å; R412-E481 IonicContact CZ-OE1 2.99Å; R412-E481 IonicContact NH1-OE1 3.38Å; R412-E481 PolarHBondContact NH1-OE1 3.36Å; R412-E481 IonicContact NH2-OE1 3.34Å; R412-E481 PolarHBondContact NH2-OE1 3.03Å; T477-E481 PolarHBondContact O-N 3.28Å; T477-E481 VanDerWaalsContact O-N 3.16Å; G478-E481 WeakPolarHBondContact O-CB 3.35Å; G478-E481 PolarHBondContact O-N 3.26Å; E481-R483 PolarHBondContact O-N 2.95Å; E481-R483 VanDerWaalsContact O-N 3.16Å; E481-Y484 PolarHBondContact O-N 3.43Å
482	T	88.3	Confident	89.1	Confident	72 Å²	72	60 Å²	60	44%	0.442	27%	0.266	S	S	.	.	H	α-helix	trans	-61.2	-27.3	178.5	-52.3	0	0	0	0	113	V409 G478 Y484	V409-T482 WeakPolarHBondContact CG2-OG1 3.43Å; G478-T482 PolarHBondContact O-N 3.3Å; G478-T482 PolarHBondContact O-OG1 3.17Å; G478-T482 VanDerWaalsContact O-OG1 3.14Å; T482-Y484 VanDerWaalsContact C-N 3.28Å; T482-Y484 PolarHBondContact O-N 3.04Å
483	R	87.9	Confident	88.6	Confident	140 Å²	140	60.4 Å²	60.4	53%	0.528	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	6.4	177.3	-70.1	178	-178	-168.3	1.3	113.6	Y479 L480 E481 R485	Y479-R483 WeakPolarHBondContact O-CB 3.33Å; Y479-R483 VanDerWaalsContact O-CG 3.25Å; Y479-R483 WeakPolarHBondContact O-CG 3.45Å; Y479-R483 PolarHBondContact O-N 3.34Å; L480-R483 PolarHBondContact O-N 2.79Å; E481-R483 PolarHBondContact O-N 2.95Å; E481-R483 VanDerWaalsContact O-N 3.16Å; R483-R485 VanDerWaalsContact C-N 3.29Å; R483-R485 HydrophobicContact CB-CG 4.13Å; R483-R485 PolarHBondContact O-N 3.16Å
484	Y	86.4	Confident	87.9	Confident	100 Å²	100	61.6 Å²	61.6	39%	0.392	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	48.4	-174.6	-72.2	-93.7	0	0	0	112	V342 L480 E481 T482 V493 Y514	V342-Y484 HydrophobicContact CG1-CD1 4.45Å; V342-Y484 HydrophobicContact CG2-CD1 4.4Å; L480-Y484 PolarHBondContact O-N 3.27Å; E481-Y484 PolarHBondContact O-N 3.43Å; T482-Y484 VanDerWaalsContact C-N 3.28Å; T482-Y484 PolarHBondContact O-N 3.04Å; Y484-V493 PolarHBondContact O-N 3.09Å; Y484-Y514 HydrophobicContact CD1-CE1 4.18Å; Y484-Y514 HydrophobicContact CE1-CD1 4.47Å; Y484-Y514 HydrophobicContact CE1-CE1 4.2Å
485	R	87.7	Confident	87.3	Confident	91 Å²	91	68.8 Å²	68.8	34%	0.343	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-99	145	173.9	-66.1	178.7	176.8	-161.9	1	110.1	L480 R483 G487 C490 R491	L480-R485 HydrophobicContact CD2-CB 4.44Å; L480-R485 PolarHBondContact O-N 2.89Å; L480-R485 VanDerWaalsContact O-N 3.09Å; R483-R485 VanDerWaalsContact C-N 3.29Å; R483-R485 HydrophobicContact CB-CG 4.13Å; R483-R485 PolarHBondContact O-N 3.16Å; R485-G487 PolarHBondContact O-N 3.22Å; R485-C490 WeakPolarHBondContact CD-O 3.39Å; R485-R491 CarbonylContact C-O 3.56Å; R485-R491 VanDerWaalsContact CA-O 3.28Å; R485-R491 WeakPolarHBondContact CA-O 3.39Å
486	H	86.8	Confident	86.3	Confident	7 Å²	7	71.2 Å²	71.2	3%	0.032	32%	0.323	C	S	.	.			trans	-63.7	131.1	176.3	-173.6	-61	0	0	0	110.5	C488 F489 C490 R491 V493 L509 M510	H486-C488 PolarHBondContact ND1-N 2.91Å; H486-C488 PolarHBondContact O-N 3.31Å; H486-F489 AromaticContact CD2-CD2 3.94Å; H486-F489 AromaticContact CE1-CD2 3.48Å; H486-F489 VanDerWaalsContact CE1-CD2 3.48Å; H486-F489 WeakPolarHBondContact CE1-CD2 3.26Å; H486-F489 AromaticContact CE1-CE2 3.73Å; H486-F489 AromaticContact CG-CD2 3.85Å; H486-F489 AromaticContact ND1-CD2 3.55Å; H486-F489 PolarHBondContact ND1-N 3.41Å; H486-F489 AromaticContact NE2-CD2 3.68Å; H486-F489 AromaticContact NE2-CE2 3.83Å; H486-C490 VanDerWaalsContact O-CA 3.24Å; H486-C490 WeakPolarHBondContact O-CA 3.34Å; H486-C490 PolarHBondContact O-N 3.25Å; H486-R491 WeakPolarHBondContact CB-O 3.32Å; H486-R491 PolarHBondContact N-O 2.89Å; H486-V493 HydrophobicContact CB-CG2 4.11Å; H486-L509 PolarHBondContact NE2-O 2.99Å; H486-M510 VanDerWaalsContact CD2-SD 3.56Å
487	G	81.8	Confident	85.5	Confident	10 Å²	10	73.3 Å²	73.3	10%	0.103	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-38.3	-175.4	0	0	0	0	0	115.4	C341 S344 W347 R485	C341-G487 PolarHBondContact O-N 3.44Å; S344-G487 VanDerWaalsContact O-CA 3.32Å; S344-G487 WeakPolarHBondContact O-CA 3.35Å; W347-G487 VanDerWaalsContact CD1-O 3.25Å; R485-G487 PolarHBondContact O-N 3.22Å
488	C	83.9	Confident	84.8	Confident	47 Å²	47	81.6 Å²	81.6	32%	0.318	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-56.1	173.3	-51	0	0	0	0	113.8	P346 W347 H486	P346-C488 HydrophobicContact CG-CB 4.46Å; P346-C488 VanDerWaalsContact CG-SG 3.55Å; W347-C488 PolarHBondContact NE1-O 2.75Å; H486-C488 PolarHBondContact ND1-N 2.91Å; H486-C488 PolarHBondContact O-N 3.31Å
489	F	84.4	Confident	84.2	Confident	111 Å²	111	82.4 Å²	82.4	49%	0.487	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-7.2	-167.7	-55.9	-65.6	0	0	0	114.4	H486 R491 L509 M510	H486-F489 AromaticContact CD2-CD2 3.94Å; H486-F489 AromaticContact CE1-CD2 3.48Å; H486-F489 VanDerWaalsContact CE1-CD2 3.48Å; H486-F489 WeakPolarHBondContact CE1-CD2 3.26Å; H486-F489 AromaticContact CE1-CE2 3.73Å; H486-F489 AromaticContact CG-CD2 3.85Å; H486-F489 AromaticContact ND1-CD2 3.55Å; H486-F489 PolarHBondContact ND1-N 3.41Å; H486-F489 AromaticContact NE2-CD2 3.68Å; H486-F489 AromaticContact NE2-CE2 3.83Å; F489-R491 HydrophobicContact CB-CB 4.49Å; F489-R491 HydrophobicContact CB-CG 4.32Å; F489-R491 PolarHBondContact O-N 2.98Å; F489-L509 HydrophobicContact CE2-CD1 4.04Å; F489-L509 HydrophobicContact CE2-CD2 3.97Å; F489-L509 HydrophobicContact CE2-CG 4.19Å; F489-M510 HydrophobicContact CD2-CE 4.38Å
490	C	83.7	Confident	83.5	Confident	50 Å²	50	83.7 Å²	83.7	34%	0.338	38%	0.383	S	S	.	.			trans	55.8	13.5	-176	-60	0	0	0	0	114.6	R485 H486	R485-C490 WeakPolarHBondContact CD-O 3.39Å; H486-C490 VanDerWaalsContact O-CA 3.24Å; H486-C490 WeakPolarHBondContact O-CA 3.34Å; H486-C490 PolarHBondContact O-N 3.25Å
491	R	85.4	Confident	83.1	Confident	188 Å²	188	86 Å²	86	71%	0.709	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-86.2	149.1	177.2	-69.8	-174.4	178.6	179.9	-0.6	110.3	R485 H486 F489 V493	R485-R491 CarbonylContact C-O 3.56Å; R485-R491 VanDerWaalsContact CA-O 3.28Å; R485-R491 WeakPolarHBondContact CA-O 3.39Å; H486-R491 WeakPolarHBondContact CB-O 3.32Å; H486-R491 PolarHBondContact N-O 2.89Å; F489-R491 HydrophobicContact CB-CB 4.49Å; F489-R491 HydrophobicContact CB-CG 4.32Å; F489-R491 PolarHBondContact O-N 2.98Å; R491-V493 PolarHBondContact O-N 3.36Å
492	R	85.6	Confident	83	Confident	197 Å²	197	90.2 Å²	90.2	74%	0.743	42%	0.421	S	S	*	.	B	Isolated β-bridge	trans	-66.8	131.3	178.6	-157.2	174.2	-150.3	168.6	2.1	110.3
493	V	84.8	Confident	83	Confident	8 Å²	8	90 Å²	90	5%	0.048	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-75	129.2	177.8	-177.3	0	0	0	0	108.8	V342 Y484 H486 R491 T512	V342-V493 HydrophobicContact CG2-CB 4.34Å; V342-V493 HydrophobicContact CG2-CG2 3.7Å; Y484-V493 PolarHBondContact O-N 3.09Å; H486-V493 HydrophobicContact CB-CG2 4.11Å; R491-V493 PolarHBondContact O-N 3.36Å; V493-T512 HydrophobicContact CG1-CG2 3.77Å
494	P	82.5	Confident	82.8	Confident	33 Å²	33	87 Å²	87	21%	0.214	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-62.4	145.7	176.8	-21	32.6	0	0	0	112.1	R498 Y506 Y514	P494-R498 HydrophobicContact CB-CB 4.25Å; P494-Y506 HydrophobicContact CG-CE1 4.45Å; P494-Y514 PolarHBondContact O-OH 3.16Å; P494-Y514 VanDerWaalsContact O-OH 3.09Å
495	K	81.6	Confident	82.6	Confident	150 Å²	150	90.5 Å²	90.5	65%	0.652	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-57	152.2	169.8	-72.2	-171.8	178.3	-172.9	0	111.2	D497 R498 L499	K495-D497 VanDerWaalsContact C-N 3.3Å; K495-D497 PolarHBondContact O-N 2.86Å; K495-R498 PolarHBondContact O-N 2.87Å; K495-L499 PolarHBondContact O-N 3.02Å
496	P	75.1	Confident	82.4	Confident	52 Å²	52	89 Å²	89	34%	0.338	43%	0.434	S	S	.	.	H	α-helix	trans	-53	-43.4	-173.3	17.4	-29.5	0	0	0	113.1	R498 L499 D500 Y514	P496-R498 PolarHBondContact O-N 3.2Å; P496-R498 VanDerWaalsContact O-N 3.14Å; P496-L499 WeakPolarHBondContact O-CA 3Å; P496-L499 WeakPolarHBondContact O-CB 3.43Å; P496-L499 PolarHBondContact O-N 3.28Å; P496-D500 PolarHBondContact O-N 3.14Å; P496-Y514 HydrophobicContact CB-CD2 4.38Å; P496-Y514 HydrophobicContact CG-CD2 4.13Å; P496-Y514 HydrophobicContact CG-CE2 4.45Å; P496-Y514 HydrophobicContact CG-CG 4.45Å
497	D	76.9	Confident	82.1	Confident	132 Å²	132	94.2 Å²	94.2	71%	0.706	45%	0.453	S	S	*	.	H	α-helix	trans	-56.9	-34.8	179.6	-38.9	-32.9	0	0	0	113.5	K495	K495-D497 VanDerWaalsContact C-N 3.3Å; K495-D497 PolarHBondContact O-N 2.86Å
498	R	77.1	Confident	82	Confident	192 Å²	192	98.6 Å²	98.6	73%	0.725	48%	0.481	S	S	*	.	H	α-helix	trans	-83.8	-23.1	177	-69.8	-169.7	177.4	-172.3	-0.8	112.2	P494 K495 P496 S501	P494-R498 HydrophobicContact CB-CB 4.25Å; K495-R498 PolarHBondContact O-N 2.87Å; P496-R498 PolarHBondContact O-N 3.2Å; P496-R498 VanDerWaalsContact O-N 3.14Å; R498-S501 PolarHBondContact O-OG 3.23Å
499	L	78.8	Confident	81.8	Confident	17 Å²	17	99.8 Å²	99.8	9%	0.089	48%	0.484	C	S	.	.	H	α-helix	trans	-78.8	-34.7	-177.5	-168.7	64.5	0	0	0	111.8	K495 P496 S501 K502 Y506 R507 M510	K495-L499 PolarHBondContact O-N 3.02Å; P496-L499 WeakPolarHBondContact O-CA 3Å; P496-L499 WeakPolarHBondContact O-CB 3.43Å; P496-L499 PolarHBondContact O-N 3.28Å; L499-S501 VanDerWaalsContact C-N 3.26Å; L499-S501 PolarHBondContact O-N 3.46Å; L499-K502 WeakPolarHBondContact O-CB 3.4Å; L499-K502 PolarHBondContact O-N 2.74Å; L499-K502 VanDerWaalsContact O-N 3.13Å; L499-Y506 HydrophobicContact CD1-CD1 3.92Å; L499-Y506 HydrophobicContact CD1-CE1 3.84Å; L499-R507 HydrophobicContact CG-CG 4.35Å; L499-R507 VanDerWaalsContact O-CG 3.23Å; L499-R507 WeakPolarHBondContact O-CG 3.46Å; L499-M510 HydrophobicContact CD1-CB 3.67Å
500	D	77.1	Confident	81.7	Confident	101 Å²	101	95 Å²	95	54%	0.54	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-26.5	180	-70.4	-30.7	0	0	0	113.4	P496 K502	P496-D500 PolarHBondContact O-N 3.14Å; D500-K502 PolarHBondContact O-N 3.32Å
501	S	81.7	Confident	81.5	Confident	93 Å²	93	97 Å²	97	65%	0.65	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-5.8	174.2	73.4	0	0	0	0	114.9	R498 L499	R498-S501 PolarHBondContact O-OG 3.23Å; L499-S501 VanDerWaalsContact C-N 3.26Å; L499-S501 PolarHBondContact O-N 3.46Å
502	K	86.1	Confident	81.1	Confident	103 Å²	103	88.6 Å²	88.6	45%	0.448	43%	0.434	S	S	.	.	S	Bend	trans	-100.6	155.5	-172.9	-64.7	-66.8	-177.6	-171.8	0	112.1	L499 D500 Y506 R507	L499-K502 WeakPolarHBondContact O-CB 3.4Å; L499-K502 PolarHBondContact O-N 2.74Å; L499-K502 VanDerWaalsContact O-N 3.13Å; D500-K502 PolarHBondContact O-N 3.32Å; K502-Y506 HydrophobicContact CB-CD1 3.48Å; K502-Y506 VanDerWaalsContact CB-CD1 3.48Å; K502-Y506 HydrophobicContact CB-CE1 4.22Å; K502-Y506 HydrophobicContact CB-CG 4.14Å; K502-Y506 HydrophobicContact CD-CD1 4.32Å; K502-Y506 HydrophobicContact CD-CE1 4.45Å; K502-Y506 HydrophobicContact CG-CD1 3.64Å; K502-Y506 HydrophobicContact CG-CE1 3.86Å; K502-R507 HydrophobicContact CB-CG 4.5Å; K502-R507 WeakPolarHBondContact O-CD 3.3Å
503	P	87.4	Confident	80.3	Confident	67 Å²	67	83.7 Å²	83.7	44%	0.435	42%	0.416	S	S	.	.			trans	-60.3	153.2	178.5	24.7	-35.2	0	0	0	112.4	W505 Y506 R507	P503-W505 VanDerWaalsContact C-N 3.27Å; P503-W505 HydrophobicContact CG-CZ2 4.18Å; P503-W505 PolarHBondContact O-N 3.38Å; P503-W505 VanDerWaalsContact O-N 3.14Å; P503-Y506 WeakPolarHBondContact O-CB 3.49Å; P503-Y506 PolarHBondContact O-N 3.42Å; P503-R507 PolarHBondContact O-N 2.73Å
504	A	83.3	Confident	79.3	Confident	78 Å²	78	86.4 Å²	86.4	65%	0.645	43%	0.426	S	S	*	.	H	α-helix	trans	-54.8	-36.4	-172.2	0	0	0	0	0	114.2	Y506 R507 C508	A504-Y506 PolarHBondContact O-N 2.92Å; A504-R507 PolarHBondContact O-N 3.49Å; A504-C508 WeakPolarHBondContact O-CB 3.47Å; A504-C508 PolarHBondContact O-N 2.93Å
505	W	83.4	Confident	77.7	Confident	174 Å²	174	93.3 Å²	93.3	66%	0.659	46%	0.455	S	S	*	.	H	α-helix	trans	-65.6	-37.1	176.6	68	-98.1	0	0	0	112.4	P503 C508 L509	P503-W505 VanDerWaalsContact C-N 3.27Å; P503-W505 HydrophobicContact CG-CZ2 4.18Å; P503-W505 PolarHBondContact O-N 3.38Å; P503-W505 VanDerWaalsContact O-N 3.14Å; W505-C508 PolarHBondContact O-N 2.72Å; W505-L509 WeakPolarHBondContact O-CB 3.45Å; W505-L509 PolarHBondContact O-N 3.42Å
506	Y	83.4	Confident	75.8	Confident	58 Å²	58	89.7 Å²	89.7	23%	0.227	45%	0.453	C	S	.	.	H	α-helix	trans	-73.4	-38.6	178.1	-174.5	-89.6	0	0	0	110.9	P494 L499 K502 P503 A504 C508 L509 M510	P494-Y506 HydrophobicContact CG-CE1 4.45Å; L499-Y506 HydrophobicContact CD1-CD1 3.92Å; L499-Y506 HydrophobicContact CD1-CE1 3.84Å; K502-Y506 HydrophobicContact CB-CD1 3.48Å; K502-Y506 VanDerWaalsContact CB-CD1 3.48Å; K502-Y506 HydrophobicContact CB-CE1 4.22Å; K502-Y506 HydrophobicContact CB-CG 4.14Å; K502-Y506 HydrophobicContact CD-CD1 4.32Å; K502-Y506 HydrophobicContact CD-CE1 4.45Å; K502-Y506 HydrophobicContact CG-CD1 3.64Å; K502-Y506 HydrophobicContact CG-CE1 3.86Å; P503-Y506 WeakPolarHBondContact O-CB 3.49Å; P503-Y506 PolarHBondContact O-N 3.42Å; A504-Y506 PolarHBondContact O-N 2.92Å; Y506-C508 VanDerWaalsContact C-N 3.33Å; Y506-L509 PolarHBondContact O-N 3.07Å; Y506-M510 HydrophobicContact CD1-CG 4.3Å; Y506-M510 HydrophobicContact CE1-CB 4.4Å; Y506-M510 HydrophobicContact CE1-CG 3.88Å; Y506-M510 HydrophobicContact CE2-CE 4.4Å; Y506-M510 HydrophobicContact CE2-CG 4.23Å; Y506-M510 WeakPolarHBondContact O-CB 3.24Å; Y506-M510 PolarHBondContact O-N 2.99Å
507	R	80.2	Confident	74.1	Confident	118 Å²	118	94 Å²	94	45%	0.445	48%	0.479	S	S	.	.	H	α-helix	trans	-60.8	-41.4	172	-73.3	175.9	53.7	-173.6	-4.2	112.2	L499 K502 P503 A504 Y511	L499-R507 HydrophobicContact CG-CG 4.35Å; L499-R507 VanDerWaalsContact O-CG 3.23Å; L499-R507 WeakPolarHBondContact O-CG 3.46Å; K502-R507 HydrophobicContact CB-CG 4.5Å; K502-R507 WeakPolarHBondContact O-CD 3.3Å; P503-R507 PolarHBondContact O-N 2.73Å; A504-R507 PolarHBondContact O-N 3.49Å; R507-Y511 PolarHBondContact O-N 2.94Å; R507-Y511 VanDerWaalsContact O-N 3.13Å
508	C	78.7	Confident	72.2	Confident	102 Å²	102	92.4 Å²	92.4	69%	0.689	47%	0.473	S	S	*	.	H	α-helix	trans	-64.9	-44.7	175.6	-174.6	0	0	0	0	111.6	A504 W505 Y506 Y511	A504-C508 WeakPolarHBondContact O-CB 3.47Å; A504-C508 PolarHBondContact O-N 2.93Å; W505-C508 PolarHBondContact O-N 2.72Å; Y506-C508 VanDerWaalsContact C-N 3.33Å; C508-Y511 WeakPolarHBondContact O-CB 3.32Å; C508-Y511 PolarHBondContact O-N 3.38Å
509	L	81.5	Confident	70.3	Confident	71 Å²	71	90.8 Å²	90.8	37%	0.372	49%	0.485	S	S	.	.	H	α-helix	trans	-65	-40.5	-179.8	-172.3	69.5	0	0	0	113	H486 F489 W505 Y506	H486-L509 PolarHBondContact NE2-O 2.99Å; F489-L509 HydrophobicContact CE2-CD1 4.04Å; F489-L509 HydrophobicContact CE2-CD2 3.97Å; F489-L509 HydrophobicContact CE2-CG 4.19Å; W505-L509 WeakPolarHBondContact O-CB 3.45Å; W505-L509 PolarHBondContact O-N 3.42Å; Y506-L509 PolarHBondContact O-N 3.07Å
510	M	80.8	Confident	68.4	Low	12 Å²	12	94.4 Å²	94.4	6%	0.059	52%	0.517	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	19.8	-176.6	-64.3	-73.2	165.4	0	0	112.4	C341 H486 F489 L499 Y506 T512	C341-M510 VanDerWaalsContact SG-C 3.57Å; H486-M510 VanDerWaalsContact CD2-SD 3.56Å; F489-M510 HydrophobicContact CD2-CE 4.38Å; L499-M510 HydrophobicContact CD1-CB 3.67Å; Y506-M510 HydrophobicContact CD1-CG 4.3Å; Y506-M510 HydrophobicContact CE1-CB 4.4Å; Y506-M510 HydrophobicContact CE1-CG 3.88Å; Y506-M510 HydrophobicContact CE2-CE 4.4Å; Y506-M510 HydrophobicContact CE2-CG 4.23Å; Y506-M510 WeakPolarHBondContact O-CB 3.24Å; Y506-M510 PolarHBondContact O-N 2.99Å; M510-T512 PolarHBondContact O-N 3.17Å
511	Y	79.9	Confident	66.4	Low	90 Å²	90	94.3 Å²	94.3	35%	0.353	52%	0.517	S	S	.	.			trans	-64.2	124.8	179.8	178.5	-96.8	0	0	0	110.6	R339 C341 R507 C508	R339-Y511 HydrophobicContact CG-CD1 4.2Å; R339-Y511 HydrophobicContact CG-CE1 4.4Å; C341-Y511 WeakPolarHBondContact CB-O 3.46Å; C341-Y511 PolarHBondContact N-O 2.91Å; C341-Y511 PolarHBondContact SG-O 3.43Å; R507-Y511 PolarHBondContact O-N 2.94Å; R507-Y511 VanDerWaalsContact O-N 3.13Å; C508-Y511 WeakPolarHBondContact O-CB 3.32Å; C508-Y511 PolarHBondContact O-N 3.38Å
512	T	77.2	Confident	64.5	Low	13 Å²	13	93.9 Å²	93.9	8%	0.08	51%	0.512	C	S	.	.			trans	-145.3	145.8	172.2	-171.1	0	0	0	0	109.1	D340 V342 V493 M510 Y514	D340-T512 WeakPolarHBondContact OD1-CA 3.45Å; D340-T512 WeakPolarHBondContact OD1-CB 3.47Å; D340-T512 PolarHBondContact OD1-OG1 3.48Å; D340-T512 PolarHBondContact OD2-OG1 2.77Å; V342-T512 HydrophobicContact CG2-CG2 4.29Å; V342-T512 WeakPolarHBondContact CG2-OG1 3.24Å; V493-T512 HydrophobicContact CG1-CG2 3.77Å; M510-T512 PolarHBondContact O-N 3.17Å; T512-Y514 HydrophobicContact CG2-CD2 3.82Å; T512-Y514 HydrophobicContact CG2-CE2 3.3Å; T512-Y514 PolarHBondContact O-N 2.87Å
513	R	68.9	Low	62.8	Low	94 Å²	94	93.9 Å²	93.9	36%	0.355	51%	0.513	S	S	.	.			trans	-86.2	103.1	177.4	-165.5	174.9	-174.4	-175.8	-1.9	108.6	D340 D521 P522	D340-R513 PolarHBondContact OD2-N 3.24Å; R513-D521 IonicContact NH2-OD2 3.05Å; R513-D521 PolarHBondContact NH2-OD2 3.4Å; R513-P522 PolarHBondContact NH1-O 3.22Å
514	Y	63.8	Low	60.9	Low	65 Å²	65	93.2 Å²	93.2	26%	0.255	51%	0.509	S	S	.	.			trans	-69.5	141.8	164.8	-73	-82.6	0	0	0	108.8	Y484 P494 P496 T512 A516	Y484-Y514 HydrophobicContact CD1-CE1 4.18Å; Y484-Y514 HydrophobicContact CE1-CD1 4.47Å; Y484-Y514 HydrophobicContact CE1-CE1 4.2Å; P494-Y514 PolarHBondContact O-OH 3.16Å; P494-Y514 VanDerWaalsContact O-OH 3.09Å; P496-Y514 HydrophobicContact CB-CD2 4.38Å; P496-Y514 HydrophobicContact CG-CD2 4.13Å; P496-Y514 HydrophobicContact CG-CE2 4.45Å; P496-Y514 HydrophobicContact CG-CG 4.45Å; T512-Y514 HydrophobicContact CG2-CD2 3.82Å; T512-Y514 HydrophobicContact CG2-CE2 3.3Å; T512-Y514 PolarHBondContact O-N 2.87Å; Y514-A516 VanDerWaalsContact C-N 3.33Å; Y514-A516 PolarHBondContact O-N 2.85Å
515	Q	49.8	Very low	59.4	Low	178 Å²	178	91.1 Å²	91.1	83%	0.832	49%	0.486	S	S	*	.			trans	-65	90.2	-175.1	-154.1	171.6	5.8	0	0	109.4
516	A	40.4	Very low	57.7	Low	73 Å²	73	84.7 Å²	84.7	60%	0.603	46%	0.464	S	S	*	.			trans	-93.2	120.6	174.1	0	0	0	0	0	108.9	Y514 T518	Y514-A516 VanDerWaalsContact C-N 3.33Å; Y514-A516 PolarHBondContact O-N 2.85Å; A516-T518 PolarHBondContact O-N 3.06Å
517	T	39.8	Very low	56.1	Low	144 Å²	144	83.7 Å²	83.7	88%	0.883	47%	0.465	S	S	*	.			trans	-67.4	85.2	171.1	43.9	0	0	0	0	110.3
518	T	36.1	Very low	55.3	Low	97 Å²	97	78.4 Å²	78.4	60%	0.595	45%	0.446	S	S	*	.			trans	-146.2	129.3	163.2	32.5	0	0	0	0	110.8	A516 A520	A516-T518 PolarHBondContact O-N 3.06Å; T518-A520 VanDerWaalsContact C-N 3.28Å; T518-A520 PolarHBondContact O-N 2.82Å; T518-A520 VanDerWaalsContact O-N 3.12Å
519	T	37.6	Very low	54.5	Low	159 Å²	159	81.1 Å²	81.1	98%	0.975	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	21.8	-163.2	38.5	0	0	0	0	115.7
520	A	39.6	Very low	53.8	Low	92 Å²	92	80.3 Å²	80.3	76%	0.76	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.8	30.5	-171.1	0	0	0	0	0	115.5	T518	T518-A520 VanDerWaalsContact C-N 3.28Å; T518-A520 PolarHBondContact O-N 2.82Å; T518-A520 VanDerWaalsContact O-N 3.12Å
521	D	35.5	Very low	53	Low	100 Å²	100	80.5 Å²	80.5	54%	0.535	45%	0.45	S	S	.	.	S	Bend	trans	-119.6	152.1	179.3	-82	-29.5	0	0	0	113.6	R513	R513-D521 IonicContact NH2-OD2 3.05Å; R513-D521 PolarHBondContact NH2-OD2 3.4Å
522	P	42.2	Very low	52.2	Low	84 Å²	84	77 Å²	77	55%	0.545	44%	0.44	S	S	.	.			trans	-51.9	150.8	177	4.3	-11.6	0	0	0	113.5	R513 D526	R513-P522 PolarHBondContact NH1-O 3.22Å; P522-D526 WeakPolarHBondContact CA-OD2 3.49Å; P522-D526 HydrophobicContact CB-CB 4.18Å; P522-D526 WeakPolarHBondContact CB-OD2 2.97Å
523	H	49.8	Very low	51.7	Low	103 Å²	103	79.8 Å²	79.8	48%	0.477	46%	0.459	S	S	.	.			trans	-62.7	151.5	-172.3	-156.4	51.9	0	0	0	110.6	Q525 D526	H523-Q525 PolarHBondContact CD2-OE1 2.81Å; H523-Q525 PolarHBondContact NE2-OE1 2.9Å; H523-Q525 PolarHBondContact O-N 2.96Å; H523-D526 PolarHBondContact N-OD2 2.97Å; H523-D526 PolarHBondContact O-N 3.33Å
524	P	47.5	Very low	51.8	Low	53 Å²	53	76 Å²	76	34%	0.344	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-15.5	-174.4	-21.6	32	0	0	0	115.1	R343	R343-P524 PolarHBondContact NH1-O 3.09Å
525	Q	50.7	Low	52	Low	34 Å²	34	76 Å²	76	16%	0.159	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-10.2	177.6	-89.4	92.4	9	0	0	115.1	R401 H523 C527 L531	R401-Q525 PolarHBondContact O-NE2 3.45Å; H523-Q525 PolarHBondContact CD2-OE1 2.81Å; H523-Q525 PolarHBondContact NE2-OE1 2.9Å; H523-Q525 PolarHBondContact O-N 2.96Å; Q525-C527 PolarHBondContact O-N 3.4Å; Q525-C527 VanDerWaalsContact O-N 3.07Å; Q525-L531 HydrophobicContact CB-CD2 3.8Å; Q525-L531 HydrophobicContact CB-CG 4.48Å; Q525-L531 HydrophobicContact CG-CD2 3.93Å; Q525-L531 VanDerWaalsContact O-CD2 3.3Å; Q525-L531 WeakPolarHBondContact O-CD2 3.39Å
526	D	48.5	Very low	52.8	Low	39 Å²	39	72.8 Å²	72.8	21%	0.209	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	4.2	-170	-60.9	-24.3	0	0	0	114.5	P522 H523 R535 H536	P522-D526 WeakPolarHBondContact CA-OD2 3.49Å; P522-D526 HydrophobicContact CB-CB 4.18Å; P522-D526 WeakPolarHBondContact CB-OD2 2.97Å; H523-D526 PolarHBondContact N-OD2 2.97Å; H523-D526 PolarHBondContact O-N 3.33Å; D526-R535 IonicContact OD1-NE 2.8Å; D526-H536 IonicContact OD1-NE2 3.54Å
527	C	50.4	Low	54.3	Low	36 Å²	36	73.3 Å²	73.3	24%	0.243	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	2.8	-176.7	-73.7	0	0	0	0	115.2	R339 Q525	R339-C527 HydrophobicContact CB-CB 4.12Å; R339-C527 WeakPolarHBondContact CB-O 3.48Å; R339-C527 PolarHBondContact N-O 2.64Å; R339-C527 VanDerWaalsContact N-O 3.11Å; Q525-C527 PolarHBondContact O-N 3.4Å; Q525-C527 VanDerWaalsContact O-N 3.07Å
528	H	62.3	Low	56.4	Low	7 Å²	7	69.2 Å²	69.2	3%	0.032	40%	0.398	C	S	.	.	S	Bend	trans	-109.6	120.7	176.8	177.9	-98.3	0	0	0	110.2	C335 S337 M338 R401 L530 L531 G532 Q848	C335-H528 PolarHBondContact O-NE2 2.97Å; C335-H528 VanDerWaalsContact O-NE2 3.08Å; S337-H528 PolarHBondContact O-CD2 3.47Å; M338-H528 HydrophobicContact CG-CB 4.05Å; M338-H528 HydrophobicContact SD-CB 4.07Å; R401-H528 PolarHBondContact NH1-CD2 3.08Å; R401-H528 PolarHBondContact NH1-NE2 2.97Å; H528-L530 PolarHBondContact O-N 3.44Å; H528-L531 HydrophobicContact CB-CB 3.91Å; H528-L531 HydrophobicContact CB-CD2 4.35Å; H528-L531 WeakPolarHBondContact ND1-CB 3.38Å; H528-L531 PolarHBondContact ND1-N 3.29Å; H528-L531 PolarHBondContact O-N 2.73Å; H528-G532 PolarHBondContact O-N 3.19Å; H528-Q848 PolarHBondContact CE1-NE2 3.27Å; H528-Q848 VanDerWaalsContact CE1-NE2 3.28Å; H528-Q848 PolarHBondContact NE2-NE2 3.39Å
529	L	63.3	Low	58.5	Low	160 Å²	160	64.7 Å²	64.7	84%	0.838	37%	0.371	S	S	*	.	H	α-helix	trans	-58	-42	-166.8	-159.8	143.6	0	0	0	113.4	C533	L529-C533 WeakPolarHBondContact O-CB 3.28Å; L529-C533 PolarHBondContact O-N 3.4Å
530	L	65.6	Low	60.6	Low	53 Å²	53	61.6 Å²	61.6	28%	0.277	35%	0.348	S	S	.	.	H	α-helix	trans	-71.4	-33.4	175.4	-73.8	161.5	0	0	0	113	H528 V534 L847 Q848	H528-L530 PolarHBondContact O-N 3.44Å; L530-V534 WeakPolarHBondContact O-CB 3.43Å; L530-V534 VanDerWaalsContact O-CG2 3.25Å; L530-V534 WeakPolarHBondContact O-CG2 3.14Å; L530-V534 PolarHBondContact O-N 2.96Å; L530-L847 HydrophobicContact CD2-CD2 3.92Å; L530-Q848 HydrophobicContact CD1-CG 4.11Å
531	L	64.9	Low	62.9	Low	17 Å²	17	63.6 Å²	63.6	9%	0.089	34%	0.336	C	S	.	.	H	α-helix	trans	-75.7	-41.7	-178	171.2	57.2	0	0	0	110.6	Q525 H528 V534 R535 E840 I844	Q525-L531 HydrophobicContact CB-CD2 3.8Å; Q525-L531 HydrophobicContact CB-CG 4.48Å; Q525-L531 HydrophobicContact CG-CD2 3.93Å; Q525-L531 VanDerWaalsContact O-CD2 3.3Å; Q525-L531 WeakPolarHBondContact O-CD2 3.39Å; H528-L531 HydrophobicContact CB-CB 3.91Å; H528-L531 HydrophobicContact CB-CD2 4.35Å; H528-L531 WeakPolarHBondContact ND1-CB 3.38Å; H528-L531 PolarHBondContact ND1-N 3.29Å; H528-L531 PolarHBondContact O-N 2.73Å; L531-V534 PolarHBondContact O-N 3.27Å; L531-R535 WeakPolarHBondContact O-CB 3.2Å; L531-R535 PolarHBondContact O-N 3.25Å; L531-E840 HydrophobicContact CD1-CG 3.99Å; L531-I844 HydrophobicContact CB-CD1 3.84Å; L531-I844 HydrophobicContact CD1-CD1 3.09Å; L531-I844 HydrophobicContact CG-CD1 3.99Å
532	G	61.3	Low	65.4	Low	15 Å²	15	59 Å²	59	16%	0.155	31%	0.311	C	S	.	.	H	α-helix	trans	-60.8	-44.3	172.3	0	0	0	0	0	112.4	H528 H536	H528-G532 PolarHBondContact O-N 3.19Å; G532-H536 WeakPolarHBondContact O-CB 3.43Å; G532-H536 PolarHBondContact O-CD2 3.34Å; G532-H536 PolarHBondContact O-N 3.29Å
533	C	68.5	Low	67.4	Low	72 Å²	72	55.8 Å²	55.8	49%	0.486	29%	0.291	S	S	.	.	H	α-helix	trans	-65.3	-44.4	178.1	-173	0	0	0	0	112.7	L529 C537 Y538	L529-C533 WeakPolarHBondContact O-CB 3.28Å; L529-C533 PolarHBondContact O-N 3.4Å; C533-C537 WeakPolarHBondContact O-CB 3.14Å; C533-C537 PolarHBondContact O-N 2.98Å; C533-Y538 PolarHBondContact O-N 3.11Å; C533-Y538 VanDerWaalsContact O-N 3.14Å
534	V	70.6	Confident	69.2	Low	16 Å²	16	54.1 Å²	54.1	10%	0.097	29%	0.285	C	S	.	.	I	π-helix	trans	-66.5	-42.9	178.6	170.5	0	0	0	0	111.4	L530 L531 Y538 G539 I844 L847	L530-V534 WeakPolarHBondContact O-CB 3.43Å; L530-V534 VanDerWaalsContact O-CG2 3.25Å; L530-V534 WeakPolarHBondContact O-CG2 3.14Å; L530-V534 PolarHBondContact O-N 2.96Å; L531-V534 PolarHBondContact O-N 3.27Å; V534-Y538 PolarHBondContact O-N 2.93Å; V534-G539 PolarHBondContact O-N 3.47Å; V534-I844 HydrophobicContact CB-CD1 4.17Å; V534-I844 HydrophobicContact CB-CG1 4.02Å; V534-I844 HydrophobicContact CG1-CD1 4.22Å; V534-I844 HydrophobicContact CG1-CG1 3.96Å; V534-I844 HydrophobicContact CG2-CG1 4.11Å; V534-L847 HydrophobicContact CG2-CD2 4.25Å
535	R	67.6	Low	71.1	Confident	65 Å²	65	56.5 Å²	56.5	25%	0.245	30%	0.299	C	S	.	.	I	π-helix	trans	-71.3	-42.4	-177	-175	176.7	164.6	117	-1.6	113	D526 L531 H836 E840	D526-R535 IonicContact OD1-NE 2.8Å; L531-R535 WeakPolarHBondContact O-CB 3.2Å; L531-R535 PolarHBondContact O-N 3.25Å; R535-H836 PolarHBondContact O-NE2 2.97Å; R535-E840 IonicContact CZ-OE1 3.19Å; R535-E840 IonicContact NE-OE1 3.36Å; R535-E840 IonicContact NH1-OE1 2.7Å; R535-E840 PolarHBondContact NH1-OE1 2.77Å; R535-E840 IonicContact NH1-OE2 2.83Å; R535-E840 PolarHBondContact NH1-OE2 3.5Å
536	H	66.8	Low	72.9	Confident	110 Å²	110	63.8 Å²	63.8	51%	0.509	33%	0.326	S	S	.	.	I	π-helix	trans	-92.7	-31.8	-174.5	-70.6	-64.8	0	0	0	114.8	D526 G532	D526-H536 IonicContact OD1-NE2 3.54Å; G532-H536 WeakPolarHBondContact O-CB 3.43Å; G532-H536 PolarHBondContact O-CD2 3.34Å; G532-H536 PolarHBondContact O-N 3.29Å
537	C	72.4	Confident	74.9	Confident	83 Å²	83	62.7 Å²	62.7	56%	0.561	32%	0.321	S	S	*	.	I	π-helix	trans	-110.5	-50.3	-173.9	-58.8	0	0	0	0	111.3	C533 W541	C533-C537 WeakPolarHBondContact O-CB 3.14Å; C533-C537 PolarHBondContact O-N 2.98Å; C537-W541 WeakPolarHBondContact O-CB 3.4Å; C537-W541 PolarHBondContact O-N 3.23Å
538	Y	83.9	Confident	76.8	Confident	58 Å²	58	62.3 Å²	62.3	23%	0.227	32%	0.315	C	S	.	.	I	π-helix	trans	-76.4	-46.5	-168.4	-169.4	-104.9	0	0	0	113.7	C533 V534 D540 W541 I542 L887	C533-Y538 PolarHBondContact O-N 3.11Å; C533-Y538 VanDerWaalsContact O-N 3.14Å; V534-Y538 PolarHBondContact O-N 2.93Å; Y538-D540 VanDerWaalsContact C-N 3.33Å; Y538-D540 PolarHBondContact O-N 3.06Å; Y538-W541 AromaticContact CD2-CE3 3.97Å; Y538-W541 HydrophobicContact CD2-CE3 3.97Å; Y538-W541 HydrophobicContact CD2-CZ3 4.28Å; Y538-W541 AromaticContact CE2-CE3 3.85Å; Y538-W541 HydrophobicContact CE2-CE3 3.85Å; Y538-W541 AromaticContact CE2-CZ3 3.73Å; Y538-W541 HydrophobicContact CE2-CZ3 3.73Å; Y538-W541 PolarHBondContact O-N 3.1Å; Y538-I542 HydrophobicContact CD1-CG2 4.47Å; Y538-I542 HydrophobicContact CE1-CB 4.38Å; Y538-I542 HydrophobicContact CE1-CG2 4.34Å; Y538-I542 WeakPolarHBondContact O-CG2 3.33Å; Y538-I542 PolarHBondContact O-N 2.96Å; Y538-L887 HydrophobicContact CE1-CB 4.42Å; Y538-L887 VanDerWaalsContact OH-C 3.27Å; Y538-L887 WeakPolarHBondContact OH-CB 3.07Å; Y538-L887 PolarHBondContact OH-O 3.47Å
539	G	79.1	Confident	78.2	Confident	2 Å²	2	65.7 Å²	65.7	2%	0.021	34%	0.338	C	S	.	.	H	α-helix	trans	-60.5	-41.5	-177	0	0	0	0	0	112.9	V534 T543 H836	V534-G539 PolarHBondContact O-N 3.47Å; G539-T543 WeakPolarHBondContact O-CB 3.45Å; G539-T543 WeakPolarHBondContact O-CG2 3.34Å; G539-T543 PolarHBondContact O-N 3.04Å; G539-T543 PolarHBondContact O-OG1 2.96Å; G539-H836 VanDerWaalsContact C-CD2 3.45Å
540	D	82.7	Confident	79.7	Confident	95 Å²	95	65 Å²	65	51%	0.508	33%	0.328	S	S	.	.	H	α-helix	trans	-73.6	-37	177.9	-66.4	-15.6	0	0	0	111.3	Y538 T543 N544 H836	Y538-D540 VanDerWaalsContact C-N 3.33Å; Y538-D540 PolarHBondContact O-N 3.06Å; D540-T543 PolarHBondContact O-OG1 3.09Å; D540-N544 PolarHBondContact O-N 3.06Å; D540-H836 IonicContact OD1-CD2 2.69Å; D540-H836 PolarHBondContact OD1-CD2 3.4Å; D540-H836 IonicContact OD1-NE2 3.22Å; D540-H836 PolarHBondContact OD1-NE2 2.72Å
541	W	87.1	Confident	81.1	Confident	134 Å²	134	63 Å²	63	51%	0.508	32%	0.318	S	S	.	.	H	α-helix	trans	-64.9	-49.1	176.2	177.7	78.3	0	0	0	112.7	C537 Y538 T543 N544 V547	C537-W541 WeakPolarHBondContact O-CB 3.4Å; C537-W541 PolarHBondContact O-N 3.23Å; Y538-W541 AromaticContact CD2-CE3 3.97Å; Y538-W541 HydrophobicContact CD2-CE3 3.97Å; Y538-W541 HydrophobicContact CD2-CZ3 4.28Å; Y538-W541 AromaticContact CE2-CE3 3.85Å; Y538-W541 HydrophobicContact CE2-CE3 3.85Å; Y538-W541 AromaticContact CE2-CZ3 3.73Å; Y538-W541 HydrophobicContact CE2-CZ3 3.73Å; Y538-W541 PolarHBondContact O-N 3.1Å; W541-T543 VanDerWaalsContact C-N 3.31Å; W541-T543 PolarHBondContact O-N 3.42Å; W541-N544 VanDerWaalsContact O-CB 3.25Å; W541-N544 WeakPolarHBondContact O-CB 3.33Å; W541-N544 PolarHBondContact O-N 2.92Å; W541-V547 HydrophobicContact CD2-CG1 4.29Å; W541-V547 HydrophobicContact CG-CG2 4.42Å; W541-V547 HydrophobicContact CH2-CG1 4.3Å; W541-V547 HydrophobicContact CZ2-CG1 3.97Å; W541-V547 WeakPolarHBondContact O-CB 3.46Å; W541-V547 WeakPolarHBondContact O-CG2 3.34Å
542	I	88.1	Confident	82.4	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-71.2	-27	-175.7	-163.5	63.1	0	0	0	112.8	Y538 V551 L839 A888 T892	Y538-I542 HydrophobicContact CD1-CG2 4.47Å; Y538-I542 HydrophobicContact CE1-CB 4.38Å; Y538-I542 HydrophobicContact CE1-CG2 4.34Å; Y538-I542 WeakPolarHBondContact O-CG2 3.33Å; Y538-I542 PolarHBondContact O-N 2.96Å; I542-V551 HydrophobicContact CD1-CG2 3.95Å; I542-L839 HydrophobicContact CG2-CD1 3.76Å; I542-A888 HydrophobicContact CD1-CB 4.44Å; I542-T892 HydrophobicContact CD1-CG2 3.82Å; I542-T892 HydrophobicContact CG1-CG2 3.93Å
543	T	83.6	Confident	84.1	Confident	18 Å²	18	68.8 Å²	68.8	11%	0.11	35%	0.347	C	S	.	.	H	α-helix	trans	-87.2	-8.4	177.8	58.5	0	0	0	0	113.4	G539 D540 W541 K548 V835	G539-T543 WeakPolarHBondContact O-CB 3.45Å; G539-T543 WeakPolarHBondContact O-CG2 3.34Å; G539-T543 PolarHBondContact O-N 3.04Å; G539-T543 PolarHBondContact O-OG1 2.96Å; D540-T543 PolarHBondContact O-OG1 3.09Å; W541-T543 VanDerWaalsContact C-N 3.31Å; W541-T543 PolarHBondContact O-N 3.42Å; T543-K548 WeakPolarHBondContact O-CE 3.47Å; T543-V835 HydrophobicContact CG2-CB 4.45Å; T543-V835 HydrophobicContact CG2-CG1 4.14Å
544	N	87.9	Confident	85.4	Confident	67 Å²	67	69.3 Å²	69.3	36%	0.358	35%	0.345	S	S	.	.			trans	-63.7	132.9	179.5	-170.4	-26.4	0	0	0	112.2	D540 W541 Y546 V547 K548	D540-N544 PolarHBondContact O-N 3.06Å; W541-N544 VanDerWaalsContact O-CB 3.25Å; W541-N544 WeakPolarHBondContact O-CB 3.33Å; W541-N544 PolarHBondContact O-N 2.92Å; N544-Y546 PolarHBondContact O-N 3.49Å; N544-Y546 WeakPolarHBondContact OD1-CD2 3.25Å; N544-Y546 PolarHBondContact OD1-N 2.93Å; N544-Y546 VanDerWaalsContact OD1-N 3.08Å; N544-V547 HydrophobicContact CB-CB 4.41Å; N544-V547 HydrophobicContact CB-CG2 4.07Å; N544-V547 PolarHBondContact O-N 3.33Å; N544-V547 VanDerWaalsContact O-N 3.07Å; N544-K548 WeakPolarHBondContact O-CG 3.43Å; N544-K548 PolarHBondContact O-N 3.03Å
545	T	86.6	Confident	86.6	Confident	104 Å²	104	71.2 Å²	71.2	64%	0.638	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-35.4	179.4	-52.1	0	0	0	0	113.3	P549	T545-P549 VanDerWaalsContact O-CD 3.32Å; T545-P549 WeakPolarHBondContact O-CD 3.4Å
546	Y	90	Very high	87.9	Confident	186 Å²	186	72.7 Å²	72.7	73%	0.729	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-26.1	-179.9	-61	-70.1	0	0	0	113.6	N544 P549 F550	N544-Y546 PolarHBondContact O-N 3.49Å; N544-Y546 WeakPolarHBondContact OD1-CD2 3.25Å; N544-Y546 PolarHBondContact OD1-N 2.93Å; N544-Y546 VanDerWaalsContact OD1-N 3.08Å; Y546-P549 WeakPolarHBondContact O-CD 3.47Å; Y546-P549 WeakPolarHBondContact O-CG 3.44Å; Y546-F550 WeakPolarHBondContact O-CD2 3.39Å; Y546-F550 WeakPolarHBondContact O-CE2 3.46Å
547	V	90.8	Very high	89.3	Confident	17 Å²	17	70.4 Å²	70.4	10%	0.103	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-31.4	-177.8	176.8	0	0	0	0	111.5	W541 N544 F550 V551	W541-V547 HydrophobicContact CD2-CG1 4.29Å; W541-V547 HydrophobicContact CG-CG2 4.42Å; W541-V547 HydrophobicContact CH2-CG1 4.3Å; W541-V547 HydrophobicContact CZ2-CG1 3.97Å; W541-V547 WeakPolarHBondContact O-CB 3.46Å; W541-V547 WeakPolarHBondContact O-CG2 3.34Å; N544-V547 HydrophobicContact CB-CB 4.41Å; N544-V547 HydrophobicContact CB-CG2 4.07Å; N544-V547 PolarHBondContact O-N 3.33Å; N544-V547 VanDerWaalsContact O-N 3.07Å; V547-F550 WeakPolarHBondContact O-CB 3.47Å; V547-F550 PolarHBondContact O-N 2.78Å; V547-F550 VanDerWaalsContact O-N 3.11Å; V547-V551 HydrophobicContact CG1-CG2 4.01Å; V547-V551 PolarHBondContact O-N 3.13Å; V547-V551 VanDerWaalsContact O-N 3.14Å
548	K	90.6	Very high	90.5	Very high	27 Å²	27	67 Å²	67	12%	0.117	33%	0.332	C	S	.	.	H	α-helix	trans	-49.2	-50.8	179.2	-68.2	178.3	-169.1	-171.3	0	115.3	T543 N544 F550 V551 V552 T895 F896	T543-K548 WeakPolarHBondContact O-CE 3.47Å; N544-K548 WeakPolarHBondContact O-CG 3.43Å; N544-K548 PolarHBondContact O-N 3.03Å; K548-F550 VanDerWaalsContact C-N 3.28Å; K548-F550 PolarHBondContact O-N 3.31Å; K548-V551 PolarHBondContact O-N 3.1Å; K548-V552 WeakPolarHBondContact O-CG2 3.32Å; K548-V552 PolarHBondContact O-N 3.12Å; K548-T895 VanDerWaalsContact CE-OG1 3.31Å; K548-T895 WeakPolarHBondContact CE-OG1 3.41Å; K548-T895 PolarHBondContact NZ-OG1 2.96Å; K548-F896 HydrophobicContact CB-CZ 4.23Å; K548-F896 HydrophobicContact CD-CE1 4.47Å; K548-F896 HydrophobicContact CD-CZ 4.24Å
549	P	91.6	Very high	91.1	Very high	78 Å²	78	67 Å²	67	51%	0.506	34%	0.335	S	S	.	.	H	α-helix	trans	-61.7	-35.4	179.8	23.7	-34.5	0	0	0	112.7	T545 Y546 V552 L553	T545-P549 VanDerWaalsContact O-CD 3.32Å; T545-P549 WeakPolarHBondContact O-CD 3.4Å; Y546-P549 WeakPolarHBondContact O-CD 3.47Å; Y546-P549 WeakPolarHBondContact O-CG 3.44Å; P549-V552 PolarHBondContact O-N 3.47Å; P549-L553 WeakPolarHBondContact O-CB 3.05Å; P549-L553 PolarHBondContact O-N 3.35Å
550	F	93.8	Very high	91.9	Very high	146 Å²	146	70.7 Å²	70.7	64%	0.64	36%	0.36	S	S	*	.	H	α-helix	trans	-66.6	-38.5	175.7	-64.9	-77.3	0	0	0	112.2	Y546 V547 K548 L553 L554	Y546-F550 WeakPolarHBondContact O-CD2 3.39Å; Y546-F550 WeakPolarHBondContact O-CE2 3.46Å; V547-F550 WeakPolarHBondContact O-CB 3.47Å; V547-F550 PolarHBondContact O-N 2.78Å; V547-F550 VanDerWaalsContact O-N 3.11Å; K548-F550 VanDerWaalsContact C-N 3.28Å; K548-F550 PolarHBondContact O-N 3.31Å; F550-L553 PolarHBondContact O-N 3.47Å; F550-L554 WeakPolarHBondContact O-CB 3.31Å; F550-L554 PolarHBondContact O-N 2.98Å
551	V	94.4	Very high	92.6	Very high	10 Å²	10	70.9 Å²	70.9	6%	0.061	36%	0.357	C	S	.	.	H	α-helix	trans	-69	-37.9	176.3	-179.6	0	0	0	0	111.4	I542 V547 K548 L554 Y555 A888 F889 T892	I542-V551 HydrophobicContact CD1-CG2 3.95Å; V547-V551 HydrophobicContact CG1-CG2 4.01Å; V547-V551 PolarHBondContact O-N 3.13Å; V547-V551 VanDerWaalsContact O-N 3.14Å; K548-V551 PolarHBondContact O-N 3.1Å; V551-L554 WeakPolarHBondContact O-CB 3.2Å; V551-L554 PolarHBondContact O-N 3.48Å; V551-Y555 PolarHBondContact O-N 3.11Å; V551-A888 HydrophobicContact CG1-CB 4.25Å; V551-F889 HydrophobicContact CG1-CD1 3.99Å; V551-T892 HydrophobicContact CB-CG2 3.93Å; V551-T892 HydrophobicContact CG1-CG2 3.75Å; V551-T892 WeakPolarHBondContact CG1-OG1 3.48Å; V551-T892 HydrophobicContact CG2-CG2 4.02Å
552	V	93.7	Very high	93	Very high	53 Å²	53	64.5 Å²	64.5	32%	0.321	33%	0.333	S	S	.	.	H	α-helix	trans	-64.4	-43.2	173.5	173.7	0	0	0	0	110.7	K548 P549 L554 Y555 L556 F896	K548-V552 WeakPolarHBondContact O-CG2 3.32Å; K548-V552 PolarHBondContact O-N 3.12Å; P549-V552 PolarHBondContact O-N 3.47Å; V552-L554 VanDerWaalsContact C-N 3.34Å; V552-L554 PolarHBondContact O-N 3.41Å; V552-Y555 WeakPolarHBondContact O-CB 3.38Å; V552-Y555 PolarHBondContact O-N 3.38Å; V552-L556 WeakPolarHBondContact O-CG 3.47Å; V552-L556 PolarHBondContact O-N 3.37Å; V552-F896 HydrophobicContact CG2-CE2 4.18Å; V552-F896 HydrophobicContact CG2-CZ 4.39Å
553	L	95.6	Very high	93.3	Very high	101 Å²	101	68.4 Å²	68.4	53%	0.529	35%	0.353	S	S	.	.	H	α-helix	trans	-59.4	-44.8	173.9	-179.6	65.5	0	0	0	111.4	P549 F550 Y555 L556 V557	P549-L553 WeakPolarHBondContact O-CB 3.05Å; P549-L553 PolarHBondContact O-N 3.35Å; F550-L553 PolarHBondContact O-N 3.47Å; L553-Y555 VanDerWaalsContact C-N 3.28Å; L553-Y555 PolarHBondContact O-N 3.36Å; L553-L556 PolarHBondContact O-N 3Å; L553-V557 WeakPolarHBondContact O-CG2 3.49Å; L553-V557 PolarHBondContact O-N 2.97Å
554	L	95.9	Very high	93.9	Very high	84 Å²	84	71.4 Å²	71.4	44%	0.44	37%	0.367	S	S	.	.	H	α-helix	trans	-59.7	-39	175.5	-178.9	65.3	0	0	0	112	F550 V551 V552 V557 Y558 F889	F550-L554 WeakPolarHBondContact O-CB 3.31Å; F550-L554 PolarHBondContact O-N 2.98Å; V551-L554 WeakPolarHBondContact O-CB 3.2Å; V551-L554 PolarHBondContact O-N 3.48Å; V552-L554 VanDerWaalsContact C-N 3.34Å; V552-L554 PolarHBondContact O-N 3.41Å; L554-V557 PolarHBondContact O-N 3.27Å; L554-Y558 WeakPolarHBondContact O-CB 3.34Å; L554-Y558 PolarHBondContact O-N 3.08Å; L554-F889 HydrophobicContact CB-CE1 4.33Å; L554-F889 HydrophobicContact CD2-CE1 4.05Å; L554-F889 HydrophobicContact CD2-CZ 4.5Å; L554-F889 HydrophobicContact CG-CE1 3.96Å; L554-F889 HydrophobicContact CG-CZ 4.25Å
555	Y	96.1	Very high	94.1	Very high	55 Å²	55	68.2 Å²	68.2	22%	0.216	35%	0.35	C	S	.	.	H	α-helix	trans	-66.6	-39.4	175.7	-174.4	-111.7	0	0	0	112.6	V551 V552 L553 Y558 I559 S781 H885 F889	V551-Y555 PolarHBondContact O-N 3.11Å; V552-Y555 WeakPolarHBondContact O-CB 3.38Å; V552-Y555 PolarHBondContact O-N 3.38Å; L553-Y555 VanDerWaalsContact C-N 3.28Å; L553-Y555 PolarHBondContact O-N 3.36Å; Y555-Y558 HydrophobicContact CD2-CD1 4.37Å; Y555-Y558 HydrophobicContact CE2-CD1 4.32Å; Y555-Y558 WeakPolarHBondContact O-CB 3.37Å; Y555-Y558 PolarHBondContact O-N 3.47Å; Y555-I559 HydrophobicContact CD1-CD1 3.93Å; Y555-I559 HydrophobicContact CE1-CD1 3.32Å; Y555-I559 HydrophobicContact CE1-CG1 4.21Å; Y555-I559 HydrophobicContact CE2-CD1 4.34Å; Y555-I559 HydrophobicContact CE2-CG1 4.47Å; Y555-I559 PolarHBondContact O-N 3.1Å; Y555-S781 PolarHBondContact OH-OG 3.34Å; Y555-H885 AromaticContact CE2-NE2 3.93Å; Y555-F889 HydrophobicContact CD2-CB 4.11Å; Y555-F889 AromaticContact CD2-CD1 3.88Å; Y555-F889 HydrophobicContact CD2-CD1 3.88Å; Y555-F889 AromaticContact CD2-CD2 3.49Å; Y555-F889 HydrophobicContact CD2-CD2 3.49Å; Y555-F889 VanDerWaalsContact CD2-CD2 3.49Å; Y555-F889 HydrophobicContact CD2-CE1 4.1Å; Y555-F889 AromaticContact CD2-CE2 3.72Å; Y555-F889 HydrophobicContact CD2-CE2 3.72Å; Y555-F889 AromaticContact CD2-CG 3.58Å; Y555-F889 HydrophobicContact CD2-CG 3.58Å; Y555-F889 HydrophobicContact CD2-CZ 4.03Å; Y555-F889 AromaticContact CE2-CD2 3.96Å; Y555-F889 HydrophobicContact CE2-CD2 3.96Å; Y555-F889 HydrophobicContact CE2-CE2 4.37Å; Y555-F889 HydrophobicContact CE2-CG 4.26Å; Y555-F889 HydrophobicContact CG-CD1 4.3Å; Y555-F889 HydrophobicContact CG-CE1 4.49Å; Y555-F889 HydrophobicContact CG-CG 4.37Å
556	L	95.9	Very high	94.3	Very high	96 Å²	96	66.5 Å²	66.5	50%	0.503	33%	0.334	S	S	.	.	H	α-helix	trans	-63.2	-44.5	174.2	-68	175.9	0	0	0	111.2	V552 L553 Y558 I559 S560	V552-L556 WeakPolarHBondContact O-CG 3.47Å; V552-L556 PolarHBondContact O-N 3.37Å; L553-L556 PolarHBondContact O-N 3Å; L556-Y558 VanDerWaalsContact C-N 3.33Å; L556-Y558 PolarHBondContact O-N 3.34Å; L556-I559 PolarHBondContact O-N 3.49Å; L556-S560 PolarHBondContact O-N 3.1Å; L556-S560 PolarHBondContact O-OG 3.24Å; L556-S560 VanDerWaalsContact O-OG 3.06Å
557	V	96.4	Very high	94.3	Very high	63 Å²	63	64 Å²	64	38%	0.382	33%	0.333	S	S	.	.	H	α-helix	trans	-58.4	-46	173.8	171.8	0	0	0	0	110.9	L553 L554 I559 S560 F561	L553-V557 WeakPolarHBondContact O-CG2 3.49Å; L553-V557 PolarHBondContact O-N 2.97Å; L554-V557 PolarHBondContact O-N 3.27Å; V557-I559 PolarHBondContact O-N 3.02Å; V557-S560 PolarHBondContact O-N 3.06Å; V557-F561 HydrophobicContact CG1-CD2 3.62Å; V557-F561 HydrophobicContact CG1-CE2 3.66Å; V557-F561 WeakPolarHBondContact O-CD2 3.33Å; V557-F561 PolarHBondContact O-N 2.87Å
558	Y	97.4	Very high	94.2	Very high	12 Å²	12	68.8 Å²	68.8	5%	0.047	35%	0.354	C	S	.	.	H	α-helix	trans	-55.4	-48.5	175.8	169.4	-87	0	0	0	111.9	L554 Y555 L556 G562 S781 G785 F789 L884 H885 F889	L554-Y558 WeakPolarHBondContact O-CB 3.34Å; L554-Y558 PolarHBondContact O-N 3.08Å; Y555-Y558 HydrophobicContact CD2-CD1 4.37Å; Y555-Y558 HydrophobicContact CE2-CD1 4.32Å; Y555-Y558 WeakPolarHBondContact O-CB 3.37Å; Y555-Y558 PolarHBondContact O-N 3.47Å; L556-Y558 VanDerWaalsContact C-N 3.33Å; L556-Y558 PolarHBondContact O-N 3.34Å; Y558-G562 PolarHBondContact O-N 3.24Å; Y558-S781 PolarHBondContact OH-O 2.86Å; Y558-G785 VanDerWaalsContact OH-CA 3.24Å; Y558-G785 WeakPolarHBondContact OH-CA 3.01Å; Y558-F789 AromaticContact CD2-CE2 3.48Å; Y558-F789 HydrophobicContact CD2-CE2 3.48Å; Y558-F789 VanDerWaalsContact CD2-CE2 3.48Å; Y558-F789 AromaticContact CD2-CZ 3.99Å; Y558-F789 HydrophobicContact CD2-CZ 3.99Å; Y558-F789 HydrophobicContact CE2-CD2 4.21Å; Y558-F789 AromaticContact CE2-CE2 3.47Å; Y558-F789 HydrophobicContact CE2-CE2 3.47Å; Y558-F789 VanDerWaalsContact CE2-CE2 3.47Å; Y558-F789 HydrophobicContact CE2-CZ 4.42Å; Y558-F789 HydrophobicContact CG-CE2 4.28Å; Y558-L884 HydrophobicContact CD2-CD1 4.48Å; Y558-H885 AromaticContact CE1-CE1 3.68Å; Y558-H885 AromaticContact CZ-CE1 3.49Å; Y558-H885 VanDerWaalsContact CZ-CE1 3.49Å; Y558-H885 PolarHBondContact OH-CE1 2.85Å; Y558-H885 VanDerWaalsContact OH-CE1 3.31Å; Y558-F889 HydrophobicContact CD1-CE2 4.35Å; Y558-F889 HydrophobicContact CD2-CE2 4.16Å; Y558-F889 HydrophobicContact CG-CE2 4.04Å; Y558-F889 HydrophobicContact CG-CZ 4.27Å
559	I	96.3	Very high	94	Very high	58 Å²	58	68.8 Å²	68.8	30%	0.297	36%	0.356	S	S	.	.	H	α-helix	trans	-65.5	-42.5	178.1	-70.1	178.7	0	0	0	111.3	Y555 L556 V557 G562 L563 F784	Y555-I559 HydrophobicContact CD1-CD1 3.93Å; Y555-I559 HydrophobicContact CE1-CD1 3.32Å; Y555-I559 HydrophobicContact CE1-CG1 4.21Å; Y555-I559 HydrophobicContact CE2-CD1 4.34Å; Y555-I559 HydrophobicContact CE2-CG1 4.47Å; Y555-I559 PolarHBondContact O-N 3.1Å; L556-I559 PolarHBondContact O-N 3.49Å; V557-I559 PolarHBondContact O-N 3.02Å; I559-G562 PolarHBondContact O-N 3.22Å; I559-L563 WeakPolarHBondContact O-CB 3.4Å; I559-L563 PolarHBondContact O-N 3.32Å; I559-F784 HydrophobicContact CG2-CE1 4.4Å
560	S	96.5	Very high	93.1	Very high	78 Å²	78	68.7 Å²	68.7	55%	0.545	35%	0.354	S	S	.	.	H	α-helix	trans	-61.5	-46.6	-179.2	-64.4	0	0	0	0	112.1	L556 V557 L563 M564	L556-S560 PolarHBondContact O-N 3.1Å; L556-S560 PolarHBondContact O-OG 3.24Å; L556-S560 VanDerWaalsContact O-OG 3.06Å; V557-S560 PolarHBondContact O-N 3.06Å; S560-L563 PolarHBondContact O-N 3.21Å; S560-M564 PolarHBondContact O-N 3.42Å
561	F	95.9	Very high	92.1	Very high	100 Å²	100	63.4 Å²	63.4	44%	0.439	33%	0.331	S	S	.	.	H	α-helix	trans	-67.9	-38.7	174.4	-79.6	-73.7	0	0	0	111.9	V557 L563 M564 G565 F789 L792	V557-F561 HydrophobicContact CG1-CD2 3.62Å; V557-F561 HydrophobicContact CG1-CE2 3.66Å; V557-F561 WeakPolarHBondContact O-CD2 3.33Å; V557-F561 PolarHBondContact O-N 2.87Å; F561-L563 VanDerWaalsContact C-N 3.29Å; F561-L563 PolarHBondContact O-N 2.95Å; F561-M564 HydrophobicContact CD1-CE 3.66Å; F561-M564 HydrophobicContact CE1-CE 3.99Å; F561-M564 PolarHBondContact O-N 3.31Å; F561-G565 PolarHBondContact O-N 2.75Å; F561-F789 HydrophobicContact CB-CE1 3.56Å; F561-F789 HydrophobicContact CB-CZ 3.85Å; F561-F789 HydrophobicContact CG-CE1 4.46Å; F561-L792 HydrophobicContact CB-CD1 4.24Å; F561-L792 HydrophobicContact CD1-CD1 4.27Å; F561-L792 WeakPolarHBondContact O-CD1 3.28Å
562	G	95.5	Very high	90.7	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-56.2	-43.6	172.5	0	0	0	0	0	112.4	Y558 I559 G565 F566 G788	Y558-G562 PolarHBondContact O-N 3.24Å; I559-G562 PolarHBondContact O-N 3.22Å; G562-G565 PolarHBondContact O-N 3.25Å; G562-F566 WeakPolarHBondContact O-CB 3.3Å; G562-F566 PolarHBondContact O-N 3.28Å; G562-G788 WeakPolarHBondContact O-CA 3.36Å
563	L	95.3	Very high	89.3	Confident	84 Å²	84	61.8 Å²	61.8	44%	0.44	32%	0.324	S	S	.	.	H	α-helix	trans	-67.6	-43.4	177.2	-177.6	63.2	0	0	0	112.2	I559 S560 F561 G565 F566 L567 F784	I559-L563 WeakPolarHBondContact O-CB 3.4Å; I559-L563 PolarHBondContact O-N 3.32Å; S560-L563 PolarHBondContact O-N 3.21Å; F561-L563 VanDerWaalsContact C-N 3.29Å; F561-L563 PolarHBondContact O-N 2.95Å; L563-G565 VanDerWaalsContact C-N 3.29Å; L563-G565 PolarHBondContact O-N 3.15Å; L563-F566 PolarHBondContact O-N 2.97Å; L563-L567 HydrophobicContact CD1-CG 4.43Å; L563-L567 HydrophobicContact CG-CD1 4.36Å; L563-L567 WeakPolarHBondContact O-CG 3.46Å; L563-L567 PolarHBondContact O-N 3.39Å; L563-F784 HydrophobicContact CB-CE1 4.39Å; L563-F784 HydrophobicContact CB-CZ 3.92Å; L563-F784 HydrophobicContact CD1-CZ 4.09Å
564	M	95.6	Very high	88.2	Confident	81 Å²	81	59.1 Å²	59.1	40%	0.399	31%	0.31	S	S	.	.	H	α-helix	trans	-56.6	-46.3	175.1	-175.2	177.6	80.3	0	0	111.2	S560 F561 L567 Q568 L792	S560-M564 PolarHBondContact O-N 3.42Å; F561-M564 HydrophobicContact CD1-CE 3.66Å; F561-M564 HydrophobicContact CE1-CE 3.99Å; F561-M564 PolarHBondContact O-N 3.31Å; M564-L567 PolarHBondContact O-N 3.38Å; M564-Q568 WeakPolarHBondContact O-CG 3.25Å; M564-Q568 PolarHBondContact O-N 2.9Å; M564-L792 HydrophobicContact CE-CD1 3.84Å; M564-L792 HydrophobicContact CE-CD2 3.43Å; M564-L792 VanDerWaalsContact CE-CD2 3.43Å; M564-L792 HydrophobicContact CE-CG 4.29Å; M564-L792 HydrophobicContact CG-CD2 4.48Å
565	G	93.1	Very high	87.2	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-66.1	-40	176	0	0	0	0	0	113.4	F561 G562 L563 L567 Q568 V569 G788 T791	F561-G565 PolarHBondContact O-N 2.75Å; G562-G565 PolarHBondContact O-N 3.25Å; L563-G565 VanDerWaalsContact C-N 3.29Å; L563-G565 PolarHBondContact O-N 3.15Å; G565-L567 VanDerWaalsContact C-N 3.3Å; G565-L567 PolarHBondContact O-N 2.93Å; G565-Q568 CarbonylContact O-C 3.59Å; G565-Q568 PolarHBondContact O-N 3.05Å; G565-Q568 VanDerWaalsContact O-N 3.07Å; G565-V569 PolarHBondContact O-N 2.85Å; G565-G788 WeakPolarHBondContact CA-O 3.26Å; G565-T791 WeakPolarHBondContact CA-OG1 3.38Å; G565-T791 PolarHBondContact O-OG1 3.14Å
566	F	90	Very high	86.2	Confident	68 Å²	68	54.8 Å²	54.8	30%	0.298	29%	0.294	S	S	.	.	H	α-helix	trans	-61.2	-37.3	177.6	-179.8	-98.1	0	0	0	112.6	G562 L563 Q568 V569 F784 L787	G562-F566 WeakPolarHBondContact O-CB 3.3Å; G562-F566 PolarHBondContact O-N 3.28Å; L563-F566 PolarHBondContact O-N 2.97Å; F566-Q568 PolarHBondContact O-N 2.85Å; F566-V569 WeakPolarHBondContact O-CG2 3.37Å; F566-F784 HydrophobicContact CB-CE2 3.95Å; F566-F784 HydrophobicContact CB-CZ 4.33Å; F566-F784 HydrophobicContact CD1-CE2 4.43Å; F566-F784 HydrophobicContact CD2-CE2 4.24Å; F566-F784 AromaticContact CG-CE2 3.94Å; F566-F784 HydrophobicContact CG-CE2 3.94Å; F566-L787 HydrophobicContact CD2-CD2 3.65Å; F566-L787 HydrophobicContact CD2-CG 4.28Å; F566-L787 HydrophobicContact CE2-CD2 3.79Å
567	L	90.3	Very high	85.3	Confident	134 Å²	134	51.6 Å²	51.6	70%	0.702	28%	0.282	S	S	*	.	H	α-helix	trans	-71.9	-17.5	176.6	-66.1	173.5	0	0	0	113.1	L563 M564 G565	L563-L567 HydrophobicContact CD1-CG 4.43Å; L563-L567 HydrophobicContact CG-CD1 4.36Å; L563-L567 WeakPolarHBondContact O-CG 3.46Å; L563-L567 PolarHBondContact O-N 3.39Å; M564-L567 PolarHBondContact O-N 3.38Å; G565-L567 VanDerWaalsContact C-N 3.3Å; G565-L567 PolarHBondContact O-N 2.93Å
568	Q	89.3	Confident	84.5	Confident	116 Å²	116	48.8 Å²	48.8	54%	0.542	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	21.8	-177.5	-64.3	178.1	2.2	0	0	112.7	M564 G565 F566 T570	M564-Q568 WeakPolarHBondContact O-CG 3.25Å; M564-Q568 PolarHBondContact O-N 2.9Å; G565-Q568 CarbonylContact O-C 3.59Å; G565-Q568 PolarHBondContact O-N 3.05Å; G565-Q568 VanDerWaalsContact O-N 3.07Å; F566-Q568 PolarHBondContact O-N 2.85Å; Q568-T570 PolarHBondContact O-N 3.16Å
569	V	84.6	Confident	83.9	Confident	27 Å²	27	48.2 Å²	48.2	16%	0.164	26%	0.262	C	S	.	.			trans	-61	110.2	-179.6	173.3	0	0	0	0	110.4	G565 F566 V744 L787 T791 M797	G565-V569 PolarHBondContact O-N 2.85Å; F566-V569 WeakPolarHBondContact O-CG2 3.37Å; V569-V744 HydrophobicContact CG1-CG2 4.12Å; V569-L787 HydrophobicContact CG2-CD1 4.36Å; V569-T791 HydrophobicContact CB-CG2 4.11Å; V569-T791 HydrophobicContact CG1-CG2 4.39Å; V569-T791 HydrophobicContact CG2-CG2 3.68Å; V569-M797 HydrophobicContact CG1-CG 3.46Å; V569-M797 VanDerWaalsContact CG1-CG 3.46Å
570	T	74.2	Confident	83.4	Confident	77 Å²	77	45.5 Å²	45.5	47%	0.472	25%	0.249	S	C	.	.			trans	-94	146	171.4	58.8	0	0	0	0	110.6	Q568 M797	Q568-T570 PolarHBondContact O-N 3.16Å; T570-M797 PolarHBondContact O-N 3.43Å
571	Q	72.6	Confident	82.7	Confident	35 Å²	35	43.2 Å²	43.2	16%	0.164	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-109.6	133.5	-173.6	-53.7	-166.8	20.6	0	0	112.5	S573 Y740 V744	Q571-S573 PolarHBondContact O-N 3.49Å; Q571-Y740 HydrophobicContact CB-CD2 3.75Å; Q571-Y740 HydrophobicContact CB-CE2 3.63Å; Q571-Y740 VanDerWaalsContact CD-CZ 3.41Å; Q571-Y740 HydrophobicContact CG-CD2 3.92Å; Q571-Y740 HydrophobicContact CG-CE2 3.54Å; Q571-Y740 PolarHBondContact NE2-O 3.37Å; Q571-Y740 VanDerWaalsContact OE1-C 3.3Å; Q571-Y740 PolarHBondContact OE1-O 3.37Å; Q571-V744 HydrophobicContact CG-CG2 4.2Å
572	G	65.4	Low	82	Confident	7 Å²	7	43.5 Å²	43.5	7%	0.072	24%	0.237	C	C	.	.			trans	-83.6	108.9	-177.8	0	0	0	0	0	111.4	E796 M797	G572-E796 VanDerWaalsContact CA-OE2 3.31Å; G572-E796 WeakPolarHBondContact CA-OE2 3.32Å; G572-M797 PolarHBondContact N-O 3.14Å
573	S	63.6	Low	81.6	Confident	21 Å²	21	44 Å²	44	15%	0.147	24%	0.241	C	C	.	.			trans	-112.5	-11.1	-175.1	54	0	0	0	0	114	Q571 R706	Q571-S573 PolarHBondContact O-N 3.49Å; S573-R706 PolarHBondContact O-NH2 3.03Å; S573-R706 WeakPolarHBondContact OG-CD 3.44Å; S573-R706 VanDerWaalsContact OG-CZ 3.3Å; S573-R706 PolarHBondContact OG-NE 2.97Å
574	D	72.5	Confident	81.2	Confident	46 Å²	46	41.6 Å²	41.6	25%	0.246	23%	0.233	C	C	.	.			trans	-98.4	119.5	179.5	-72.7	-35.6	0	0	0	111.7	S576 A577 H593 R706	D574-S576 PolarHBondContact O-N 3.09Å; D574-A577 WeakPolarHBondContact O-CB 3.13Å; D574-A577 PolarHBondContact O-N 2.61Å; D574-A577 VanDerWaalsContact O-N 3.08Å; D574-H593 IonicContact OD2-NE2 3.49Å; D574-R706 IonicContact OD1-CZ 2.66Å; D574-R706 IonicContact OD1-NH1 3.3Å; D574-R706 PolarHBondContact OD1-NH1 3.18Å; D574-R706 IonicContact OD1-NH2 3.57Å; D574-R706 PolarHBondContact OD1-NH2 2.91Å; D574-R706 IonicContact OD2-NH1 3.44Å; D574-R706 PolarHBondContact OD2-NH1 3.15Å
575	P	74.1	Confident	80.8	Confident	31 Å²	31	38.2 Å²	38.2	20%	0.201	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-67	-19.5	-179.8	27.6	-34.3	0	0	0	112.6	L86 L306 A577 L578	L86-P575 HydrophobicContact CD1-CB 4.14Å; L306-P575 HydrophobicContact CD1-CB 4.29Å; L306-P575 HydrophobicContact CD2-CB 4.14Å; L306-P575 HydrophobicContact CD2-CG 4.33Å; P575-A577 PolarHBondContact O-N 2.91Å; P575-L578 PolarHBondContact O-N 3.47Å; P575-L578 VanDerWaalsContact O-N 3.14Å
576	S	76.3	Confident	80.7	Confident	16 Å²	16	39.9 Å²	39.9	11%	0.112	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-66.9	-20.4	173.5	58.9	0	0	0	0	113	D574 L578 V579	D574-S576 PolarHBondContact O-N 3.09Å; S576-L578 PolarHBondContact O-N 2.78Å; S576-V579 VanDerWaalsContact O-CG2 3.28Å; S576-V579 WeakPolarHBondContact O-CG2 3.37Å; S576-V579 PolarHBondContact O-N 3.03Å
577	A	76.9	Confident	80.7	Confident	30 Å²	30	41 Å²	41	25%	0.248	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-68.7	-14	172.6	0	0	0	0	0	112.6	D574 P575 N866	D574-A577 WeakPolarHBondContact O-CB 3.13Å; D574-A577 PolarHBondContact O-N 2.61Å; D574-A577 VanDerWaalsContact O-N 3.08Å; P575-A577 PolarHBondContact O-N 2.91Å; A577-N866 WeakPolarHBondContact O-CB 3.25Å
578	L	78.5	Confident	80.8	Confident	3 Å²	3	35.1 Å²	35.1	2%	0.016	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-99.7	3	-179.3	-67	169.1	0	0	0	113.8	L86 F310 P575 S576 D798 V800 L867	L86-L578 HydrophobicContact CD1-CD1 3.88Å; L86-L578 HydrophobicContact CD2-CD1 3.77Å; L86-L578 HydrophobicContact CG-CD1 4.49Å; F310-L578 HydrophobicContact CE2-CB 4.44Å; P575-L578 PolarHBondContact O-N 3.47Å; P575-L578 VanDerWaalsContact O-N 3.14Å; S576-L578 PolarHBondContact O-N 2.78Å; L578-D798 HydrophobicContact CD2-CB 4.31Å; L578-D798 VanDerWaalsContact CD2-OD2 3.24Å; L578-D798 WeakPolarHBondContact CD2-OD2 3.3Å; L578-V800 HydrophobicContact CD2-CG2 3.77Å; L578-L867 WeakPolarHBondContact O-CB 3.4Å
579	V	86	Confident	80.7	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-105.7	177.7	-178.7	-55.5	0	0	0	0	113	L306 D309 F310 S576 V586 N866	L306-V579 HydrophobicContact CD1-CG1 3.82Å; D309-V579 HydrophobicContact CB-CB 4.06Å; D309-V579 HydrophobicContact CB-CG1 4.22Å; D309-V579 HydrophobicContact CB-CG2 4.43Å; F310-V579 HydrophobicContact CB-CG1 4.16Å; S576-V579 VanDerWaalsContact O-CG2 3.28Å; S576-V579 WeakPolarHBondContact O-CG2 3.37Å; S576-V579 PolarHBondContact O-N 3.03Å; V579-V586 HydrophobicContact CG2-CG2 3.5Å; V579-N866 PolarHBondContact O-N 2.97Å
580	A	85.4	Confident	81	Confident	2 Å²	2	35.2 Å²	35.2	2%	0.017	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-65.4	145	177	0	0	0	0	0	112	F312 S313 L316 D582 T583 V586	F312-A580 HydrophobicContact CD1-CB 4.13Å; S313-A580 PolarHBondContact OG-N 3.4Å; L316-A580 HydrophobicContact CD1-CB 3.77Å; A580-D582 PolarHBondContact O-N 3.16Å; A580-T583 HydrophobicContact CB-CG2 3.58Å; A580-T583 WeakPolarHBondContact O-CG2 3.31Å; A580-T583 PolarHBondContact O-OG1 2.88Å; A580-V586 WeakPolarHBondContact O-CG2 3.37Å
581	T	81	Confident	81.8	Confident	29 Å²	29	31.6 Å²	31.6	18%	0.178	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-28.4	-166.5	55.2	0	0	0	0	114.3	R864 N866	T581-R864 PolarHBondContact N-O 2.86Å; T581-R864 VanDerWaalsContact N-O 3.09Å; T581-R864 PolarHBondContact OG1-O 3.5Å; T581-N866 VanDerWaalsContact CG2-OD1 3.27Å; T581-N866 WeakPolarHBondContact CG2-OD1 3.5Å
582	D	81.7	Confident	82.6	Confident	106 Å²	106	32.3 Å²	32.3	57%	0.567	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.3	34.3	-170.3	-55.3	-10.8	0	0	0	111.3	A580 R864	A580-D582 PolarHBondContact O-N 3.16Å; D582-R864 VanDerWaalsContact OD2-CD 3.31Å; D582-R864 WeakPolarHBondContact OD2-CD 3.48Å; D582-R864 IonicContact OD2-NH1 3.98Å; D582-R864 PolarHBondContact OD2-NH1 3.05Å
583	T	87.6	Confident	83.5	Confident	11 Å²	11	35.5 Å²	35.5	7%	0.067	20%	0.199	C	C	.	.	S	Bend	trans	-104.1	162.5	-176.2	76.1	0	0	0	0	113.7	D309 F312 A580 T585 V586 L587	D309-T583 HydrophobicContact CB-CG2 4.14Å; D309-T583 VanDerWaalsContact CG-CB 3.45Å; D309-T583 WeakPolarHBondContact OD2-CB 3.2Å; D309-T583 PolarHBondContact OD2-OG1 3.33Å; F312-T583 HydrophobicContact CD1-CG2 4.4Å; A580-T583 HydrophobicContact CB-CG2 3.58Å; A580-T583 WeakPolarHBondContact O-CG2 3.31Å; A580-T583 PolarHBondContact O-OG1 2.88Å; T583-T585 VanDerWaalsContact C-N 3.27Å; T583-T585 PolarHBondContact O-N 3.48Å; T583-V586 PolarHBondContact O-N 2.9Å; T583-L587 WeakPolarHBondContact O-CG 3.21Å; T583-L587 PolarHBondContact O-N 3.39Å
584	A	85.9	Confident	84.7	Confident	34 Å²	34	42.3 Å²	42.3	28%	0.281	22%	0.221	S	C	.	.	H	α-helix	trans	-61.5	-36.5	179.8	0	0	0	0	0	111.8	L587 Y588	A584-L587 PolarHBondContact O-N 3.48Å; A584-Y588 VanDerWaalsContact O-CB 3.27Å; A584-Y588 WeakPolarHBondContact O-CB 3.38Å; A584-Y588 PolarHBondContact O-N 2.81Å
585	T	88.4	Confident	85.5	Confident	10 Å²	10	42.1 Å²	42.1	6%	0.061	22%	0.217	C	C	.	.	H	α-helix	trans	-61.8	-46.1	177.5	-61.9	0	0	0	0	111.9	S305 L306 D309 T583 L587 Y588 T589	S305-T585 WeakPolarHBondContact CB-OG1 3.11Å; S305-T585 PolarHBondContact OG-OG1 3.09Å; L306-T585 HydrophobicContact CD1-CG2 4.16Å; D309-T585 VanDerWaalsContact OD2-CB 3.24Å; D309-T585 WeakPolarHBondContact OD2-CB 3.44Å; D309-T585 PolarHBondContact OD2-N 3.08Å; D309-T585 PolarHBondContact OD2-OG1 3.08Å; T583-T585 VanDerWaalsContact C-N 3.27Å; T583-T585 PolarHBondContact O-N 3.48Å; T585-L587 PolarHBondContact O-N 3.22Å; T585-Y588 PolarHBondContact O-N 3.13Å; T585-T589 PolarHBondContact O-N 3.26Å; T585-T589 PolarHBondContact O-OG1 3.42Å; T585-T589 VanDerWaalsContact O-OG1 3.04Å
586	V	90	Very high	86.1	Confident	34 Å²	34	41.9 Å²	41.9	21%	0.206	21%	0.213	C	C	.	.	H	α-helix	trans	-63.3	-45.1	178.7	178.5	0	0	0	0	111.2	V579 A580 T583 Y588 T589 H590	V579-V586 HydrophobicContact CG2-CG2 3.5Å; A580-V586 WeakPolarHBondContact O-CG2 3.37Å; T583-V586 PolarHBondContact O-N 2.9Å; V586-Y588 PolarHBondContact O-N 3.11Å; V586-T589 PolarHBondContact O-N 2.97Å; V586-H590 WeakPolarHBondContact O-CB 3.39Å; V586-H590 PolarHBondContact O-N 2.95Å
587	L	90.8	Very high	86.3	Confident	93 Å²	93	42.2 Å²	42.2	49%	0.487	22%	0.215	S	C	.	.	H	α-helix	trans	-63.4	-41.1	178.7	-67	173	0	0	0	112	Y299 T583 A584 T585 A591	Y299-L587 HydrophobicContact CD1-CB 3.95Å; Y299-L587 HydrophobicContact CE1-CB 4.37Å; T583-L587 WeakPolarHBondContact O-CG 3.21Å; T583-L587 PolarHBondContact O-N 3.39Å; A584-L587 PolarHBondContact O-N 3.48Å; T585-L587 PolarHBondContact O-N 3.22Å; L587-A591 WeakPolarHBondContact O-CB 3.45Å; L587-A591 PolarHBondContact O-N 3.47Å
588	Y	91.6	Very high	86.5	Confident	10 Å²	10	43.7 Å²	43.7	4%	0.039	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-50	174.8	178.7	-85.6	0	0	0	111.4	R125 I127 Q259 Y299 A301 A584 T585 V586 H590 A591 Q592	R125-Y588 HydrophobicContact CB-CE2 4.02Å; R125-Y588 WeakPolarHBondContact CD-OH 3.48Å; I127-Y588 HydrophobicContact CB-CE2 4.42Å; I127-Y588 HydrophobicContact CD1-CD2 3.9Å; I127-Y588 HydrophobicContact CD1-CE1 4.26Å; I127-Y588 HydrophobicContact CD1-CE2 3.6Å; I127-Y588 HydrophobicContact CD1-CG 4.38Å; I127-Y588 HydrophobicContact CG1-CD2 4.15Å; I127-Y588 HydrophobicContact CG1-CE2 3.62Å; Q259-Y588 PolarHBondContact OE1-OH 3.33Å; Y299-Y588 WeakPolarHBondContact O-CD2 3.23Å; A301-Y588 HydrophobicContact CB-CD1 3.64Å; A301-Y588 HydrophobicContact CB-CD2 3.55Å; A301-Y588 HydrophobicContact CB-CE1 3.84Å; A301-Y588 HydrophobicContact CB-CE2 3.71Å; A301-Y588 HydrophobicContact CB-CG 3.51Å; A584-Y588 VanDerWaalsContact O-CB 3.27Å; A584-Y588 WeakPolarHBondContact O-CB 3.38Å; A584-Y588 PolarHBondContact O-N 2.81Å; T585-Y588 PolarHBondContact O-N 3.13Å; V586-Y588 PolarHBondContact O-N 3.11Å; Y588-H590 VanDerWaalsContact C-N 3.33Å; Y588-H590 PolarHBondContact O-N 3.42Å; Y588-A591 WeakPolarHBondContact O-CB 3.43Å; Y588-A591 PolarHBondContact O-N 2.91Å; Y588-A591 VanDerWaalsContact O-N 3.13Å; Y588-Q592 WeakPolarHBondContact O-CB 3.41Å; Y588-Q592 PolarHBondContact O-N 3.1Å
589	T	88.7	Confident	86.7	Confident	24 Å²	24	45.1 Å²	45.1	15%	0.147	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-41.6	179.6	-59.4	0	0	0	0	111.5	T585 V586 A591 Q592 H593	T585-T589 PolarHBondContact O-N 3.26Å; T585-T589 PolarHBondContact O-OG1 3.42Å; T585-T589 VanDerWaalsContact O-OG1 3.04Å; V586-T589 PolarHBondContact O-N 2.97Å; T589-A591 PolarHBondContact O-N 3.5Å; T589-Q592 WeakPolarHBondContact O-CB 3.42Å; T589-Q592 PolarHBondContact O-N 3.02Å; T589-H593 PolarHBondContact O-CD2 3.49Å; T589-H593 PolarHBondContact O-N 3.29Å
590	H	89.6	Confident	86.5	Confident	120 Å²	120	45.4 Å²	45.4	56%	0.556	23%	0.231	S	C	*	.	H	α-helix	trans	-63.9	-40.5	175.1	-178.7	-91.9	0	0	0	112.2	V586 Y588 R594	V586-H590 WeakPolarHBondContact O-CB 3.39Å; V586-H590 PolarHBondContact O-N 2.95Å; Y588-H590 VanDerWaalsContact C-N 3.33Å; Y588-H590 PolarHBondContact O-N 3.42Å; H590-R594 VanDerWaalsContact O-CB 3.27Å; H590-R594 WeakPolarHBondContact O-CB 3.48Å; H590-R594 PolarHBondContact O-N 3.11Å
591	A	91.1	Very high	86.3	Confident	2 Å²	2	47.4 Å²	47.4	2%	0.017	24%	0.244	C	C	.	.	H	α-helix	trans	-63.7	-42.6	173.7	0	0	0	0	0	111.6	I127 Y299 L587 Y588 T589 R594 Y595	I127-A591 HydrophobicContact CD1-CB 4.19Å; I127-A591 HydrophobicContact CG2-CB 4.29Å; Y299-A591 HydrophobicContact CD1-CB 4.47Å; Y299-A591 HydrophobicContact CD2-CB 3.86Å; Y299-A591 HydrophobicContact CE2-CB 4.17Å; Y299-A591 HydrophobicContact CG-CB 4.02Å; L587-A591 WeakPolarHBondContact O-CB 3.45Å; L587-A591 PolarHBondContact O-N 3.47Å; Y588-A591 WeakPolarHBondContact O-CB 3.43Å; Y588-A591 PolarHBondContact O-N 2.91Å; Y588-A591 VanDerWaalsContact O-N 3.13Å; T589-A591 PolarHBondContact O-N 3.5Å; A591-R594 PolarHBondContact O-N 2.84Å; A591-Y595 HydrophobicContact CB-CD2 4.44Å; A591-Y595 VanDerWaalsContact O-CD2 3.24Å; A591-Y595 WeakPolarHBondContact O-CD2 3.26Å; A591-Y595 PolarHBondContact O-N 3.21Å
592	Q	89.2	Confident	86.5	Confident	50 Å²	50	46.2 Å²	46.2	23%	0.234	24%	0.237	C	C	.	.	H	α-helix	trans	-58.7	-51.1	176.5	-166.6	178.2	5.6	0	0	111.1	I127 Y588 T589 R594 Y595 F596	I127-Q592 HydrophobicContact CD1-CB 3.95Å; Y588-Q592 WeakPolarHBondContact O-CB 3.41Å; Y588-Q592 PolarHBondContact O-N 3.1Å; T589-Q592 WeakPolarHBondContact O-CB 3.42Å; T589-Q592 PolarHBondContact O-N 3.02Å; Q592-R594 VanDerWaalsContact C-N 3.29Å; Q592-R594 PolarHBondContact O-N 3.12Å; Q592-Y595 PolarHBondContact O-N 2.91Å; Q592-F596 WeakPolarHBondContact O-CA 3.37Å; Q592-F596 WeakPolarHBondContact O-CB 3.38Å; Q592-F596 PolarHBondContact O-N 3.35Å
593	H	85.4	Confident	86.8	Confident	74 Å²	74	41.2 Å²	41.2	34%	0.343	21%	0.21	S	C	.	.	H	α-helix	trans	-64.5	-29.5	178	-78.3	-65.3	0	0	0	114.4	D574 T589 S597 K705	D574-H593 IonicContact OD2-NE2 3.49Å; T589-H593 PolarHBondContact O-CD2 3.49Å; T589-H593 PolarHBondContact O-N 3.29Å; H593-S597 WeakPolarHBondContact O-CB 3.47Å; H593-S597 PolarHBondContact O-OG 3.36Å; H593-K705 PolarHBondContact O-NZ 3.27Å
594	R	87.9	Confident	86.9	Confident	163 Å²	163	40.7 Å²	40.7	62%	0.615	21%	0.207	S	C	*	.	H	α-helix	trans	-78.8	-39.8	-178.8	-177.1	173.9	-176.4	124.5	0.9	112.6	H590 A591 Q592	H590-R594 VanDerWaalsContact O-CB 3.27Å; H590-R594 WeakPolarHBondContact O-CB 3.48Å; H590-R594 PolarHBondContact O-N 3.11Å; A591-R594 PolarHBondContact O-N 2.84Å; Q592-R594 VanDerWaalsContact C-N 3.29Å; Q592-R594 PolarHBondContact O-N 3.12Å
595	Y	89.4	Confident	87.2	Confident	43 Å²	43	39.4 Å²	39.4	17%	0.169	20%	0.195	C	C	.	.	H	α-helix	trans	-106.2	-27.3	-170	-63.9	-71.6	0	0	0	114.2	T129 G229 G230 K256 A257 A591 Q592	T129-Y595 HydrophobicContact CG2-CD2 4.01Å; T129-Y595 HydrophobicContact CG2-CE2 3.66Å; G229-Y595 CarbonylContact C-O 3.54Å; G229-Y595 WeakPolarHBondContact CA-O 3.06Å; G230-Y595 PolarHBondContact N-O 3.24Å; K256-Y595 HydrophobicContact CB-CD1 4.14Å; K256-Y595 HydrophobicContact CB-CE1 3.98Å; A257-Y595 HydrophobicContact CB-CD1 4.12Å; A257-Y595 HydrophobicContact CB-CD2 4.19Å; A257-Y595 HydrophobicContact CB-CG 3.77Å; A591-Y595 HydrophobicContact CB-CD2 4.44Å; A591-Y595 VanDerWaalsContact O-CD2 3.24Å; A591-Y595 WeakPolarHBondContact O-CD2 3.26Å; A591-Y595 PolarHBondContact O-N 3.21Å; Q592-Y595 PolarHBondContact O-N 2.91Å
596	F	87.4	Confident	87.4	Confident	25 Å²	25	39 Å²	39	11%	0.11	19%	0.192	C	C	.	.	S	Bend	trans	-115.2	30.5	-170.4	-60.2	-89.2	0	0	0	112.8	I127 H226 L228 A257 Q259 Q592	I127-F596 HydrophobicContact CD1-CD2 4.36Å; I127-F596 HydrophobicContact CD1-CE2 4.06Å; I127-F596 HydrophobicContact CG1-CE2 4.04Å; I127-F596 HydrophobicContact CG2-CE2 3.82Å; I127-F596 HydrophobicContact CG2-CZ 4.42Å; H226-F596 WeakPolarHBondContact O-CD1 3.27Å; L228-F596 VanDerWaalsContact C-CE1 3.48Å; A257-F596 HydrophobicContact CB-CE2 3.89Å; A257-F596 HydrophobicContact CB-CZ 3.82Å; Q259-F596 HydrophobicContact CB-CE1 3.92Å; Q259-F596 HydrophobicContact CB-CE2 4.39Å; Q259-F596 HydrophobicContact CB-CZ 3.7Å; Q592-F596 WeakPolarHBondContact O-CA 3.37Å; Q592-F596 WeakPolarHBondContact O-CB 3.38Å; Q592-F596 PolarHBondContact O-N 3.35Å
597	S	80.4	Confident	87.6	Confident	24 Å²	24	37.4 Å²	37.4	17%	0.168	18%	0.182	C	C	.	.			trans	-107.2	10.1	-172.1	70.3	0	0	0	0	115.3	H593 T701 K705	H593-S597 WeakPolarHBondContact O-CB 3.47Å; H593-S597 PolarHBondContact O-OG 3.36Å; S597-T701 PolarHBondContact O-OG1 3.46Å; S597-K705 VanDerWaalsContact OG-CE 3.27Å; S597-K705 WeakPolarHBondContact OG-CE 3.36Å; S597-K705 PolarHBondContact OG-NZ 2.83Å
598	S	80.3	Confident	87.6	Confident	60 Å²	60	36.7 Å²	36.7	42%	0.42	17%	0.174	S	C	.	.	S	Bend	trans	-76.5	-17.9	177.4	-58.5	0	0	0	0	112.3	T701	S598-T701 PolarHBondContact O-N 3.06Å
599	Y	82.8	Confident	87.5	Confident	33 Å²	33	39.7 Å²	39.7	13%	0.129	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-132.7	157	179.4	-68.4	-81.6	0	0	0	110.3	Y211 P212 Q630 V698 A699 K700	Y211-Y599 HydrophobicContact CD1-CE2 4.34Å; Y211-Y599 HydrophobicContact CE1-CD2 4.27Å; Y211-Y599 AromaticContact CE1-CE2 3.45Å; Y211-Y599 HydrophobicContact CE1-CE2 3.45Å; Y211-Y599 VanDerWaalsContact CE1-CE2 3.45Å; Y211-Y599 AromaticContact CZ-CE2 3.73Å; Y211-Y599 WeakPolarHBondContact OH-CD2 3.41Å; P212-Y599 HydrophobicContact CB-CE1 4.43Å; P212-Y599 HydrophobicContact CB-CE2 4.01Å; P212-Y599 HydrophobicContact CG-CE1 4.04Å; P212-Y599 HydrophobicContact CG-CE2 4.37Å; Y599-Q630 HydrophobicContact CE1-CG 3.98Å; Y599-V698 HydrophobicContact CD1-CG1 3.74Å; Y599-V698 HydrophobicContact CG-CG1 4.03Å; Y599-A699 CarbonylContact C-O 3.48Å; Y599-A699 WeakPolarHBondContact CA-O 3.42Å; Y599-K700 HydrophobicContact CD1-CB 4.44Å; Y599-K700 HydrophobicContact CE1-CB 4.31Å; Y599-K700 HydrophobicContact CE1-CG 4.31Å
600	S	81.8	Confident	87.5	Confident	6 Å²	6	41.8 Å²	41.8	4%	0.042	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-65.1	160.7	169.4	72.4	0	0	0	0	111.5	A699	S600-A699 PolarHBondContact N-O 3.01Å; S600-A699 PolarHBondContact OG-N 3.46Å
601	P	80.7	Confident	87.4	Confident	45 Å²	45	36.3 Å²	36.3	29%	0.292	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-50.9	151.2	155.5	-21.7	33.6	0	0	0	110	I603	P601-I603 PolarHBondContact O-N 3.42Å
602	V	85.7	Confident	87.4	Confident	4 Å²	4	38.4 Å²	38.4	2%	0.024	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-63.5	123.5	176.4	-179.1	0	0	0	0	108.7	Y114 L117 Y223 F696 V698 N731	Y114-V602 HydrophobicContact CD1-CG1 4.45Å; Y114-V602 HydrophobicContact CD1-CG2 3.93Å; Y114-V602 HydrophobicContact CD2-CG1 4.17Å; Y114-V602 HydrophobicContact CG-CB 4.34Å; Y114-V602 HydrophobicContact CG-CG1 4.05Å; Y114-V602 HydrophobicContact CG-CG2 4.09Å; L117-V602 WeakPolarHBondContact CD1-O 3.38Å; Y223-V602 HydrophobicContact CD1-CG2 3.99Å; Y223-V602 HydrophobicContact CE1-CG2 3.63Å; V602-F696 HydrophobicContact CG1-CB 3.86Å; V602-F696 HydrophobicContact CG1-CD1 3.95Å; V602-F696 HydrophobicContact CG1-CG 4.27Å; V602-V698 HydrophobicContact CB-CG2 4.5Å; V602-V698 HydrophobicContact CG1-CG2 4.5Å; V602-V698 HydrophobicContact CG2-CG2 4.07Å; V602-N731 PolarHBondContact O-ND2 3.21Å
603	I	88.4	Confident	87.5	Confident	1 Å²	1	36 Å²	36	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	121	177.7	-53.6	176.2	0	0	0	107	P601 L697 M709 L712 I729 F734	P601-I603 PolarHBondContact O-N 3.42Å; I603-L697 HydrophobicContact CB-CB 4.48Å; I603-L697 PolarHBondContact N-O 3.5Å; I603-L697 PolarHBondContact O-N 3.14Å; I603-M709 HydrophobicContact CD1-SD 4.37Å; I603-L712 HydrophobicContact CD1-CD2 4.15Å; I603-I729 HydrophobicContact CG2-CB 4.04Å; I603-I729 HydrophobicContact CG2-CG2 4.26Å; I603-F734 HydrophobicContact CD1-CZ 4.15Å; I603-F734 HydrophobicContact CG1-CZ 4.01Å; I603-F734 HydrophobicContact CG2-CE2 4.11Å; I603-F734 HydrophobicContact CG2-CZ 4.1Å
604	G	90.1	Very high	87.7	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	124	171.6	0	0	0	0	0	109.5	Y606 I729 F730	G604-Y606 VanDerWaalsContact C-CE2 3.42Å; G604-Y606 VanDerWaalsContact CA-CE2 3.46Å; G604-Y606 VanDerWaalsContact O-CD2 3.27Å; G604-Y606 WeakPolarHBondContact O-CD2 3.43Å; G604-Y606 WeakPolarHBondContact O-CE2 3.49Å; G604-I729 CarbonylContact O-C 3.57Å; G604-I729 VanDerWaalsContact O-CA 3.3Å; G604-I729 WeakPolarHBondContact O-CA 3.46Å; G604-F730 PolarHBondContact N-O 3.16Å; G604-F730 PolarHBondContact O-N 2.99Å
605	F	92.1	Very high	88	Confident	7 Å²	7	30.2 Å²	30.2	3%	0.031	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	107.1	173.6	-174.5	-84.8	0	0	0	108.2	I607 L622 Y625 R694 I695 L697 F727 I729	F605-I607 HydrophobicContact CD1-CG1 4.21Å; F605-I607 HydrophobicContact CE1-CD1 4.13Å; F605-I607 HydrophobicContact CE1-CG1 3.82Å; F605-L622 HydrophobicContact CE1-CD2 4.17Å; F605-L622 HydrophobicContact CZ-CD2 4.46Å; F605-Y625 HydrophobicContact CZ-CD2 4.49Å; F605-R694 CarbonylContact O-C 3.52Å; F605-R694 VanDerWaalsContact O-CA 3.29Å; F605-R694 WeakPolarHBondContact O-CA 3.42Å; F605-I695 HydrophobicContact CB-CB 4.33Å; F605-I695 WeakPolarHBondContact CB-O 3.36Å; F605-I695 PolarHBondContact N-O 3.18Å; F605-I695 PolarHBondContact O-N 3.28Å; F605-L697 HydrophobicContact CB-CD1 3.74Å; F605-L697 HydrophobicContact CB-CG 3.94Å; F605-L697 HydrophobicContact CD2-CD1 3.61Å; F605-L697 HydrophobicContact CG-CD1 3.93Å; F605-F727 AromaticContact CD2-CD2 3.94Å; F605-F727 HydrophobicContact CD2-CD2 3.94Å; F605-F727 HydrophobicContact CD2-CE2 4.22Å; F605-F727 HydrophobicContact CE1-CB 3.89Å; F605-F727 HydrophobicContact CE1-CD2 4.34Å; F605-F727 HydrophobicContact CE1-CG 4.03Å; F605-F727 HydrophobicContact CE2-CB 4.32Å; F605-F727 HydrophobicContact CE2-CD1 4.14Å; F605-F727 AromaticContact CE2-CD2 3.24Å; F605-F727 HydrophobicContact CE2-CD2 3.24Å; F605-F727 HydrophobicContact CE2-CE1 4.24Å; F605-F727 AromaticContact CE2-CE2 3.39Å; F605-F727 HydrophobicContact CE2-CE2 3.39Å; F605-F727 AromaticContact CE2-CG 3.66Å; F605-F727 HydrophobicContact CE2-CG 3.66Å; F605-F727 AromaticContact CE2-CZ 3.9Å; F605-F727 HydrophobicContact CE2-CZ 3.9Å; F605-F727 HydrophobicContact CZ-CB 3.73Å; F605-F727 AromaticContact CZ-CD1 3.64Å; F605-F727 HydrophobicContact CZ-CD1 3.64Å; F605-F727 AromaticContact CZ-CD2 3.48Å; F605-F727 HydrophobicContact CZ-CD2 3.48Å; F605-F727 VanDerWaalsContact CZ-CD2 3.48Å; F605-F727 HydrophobicContact CZ-CE1 4.04Å; F605-F727 AromaticContact CZ-CE2 3.92Å; F605-F727 HydrophobicContact CZ-CE2 3.92Å; F605-F727 AromaticContact CZ-CG 3.33Å; F605-F727 HydrophobicContact CZ-CG 3.33Å; F605-F727 HydrophobicContact CZ-CZ 4.18Å; F605-I729 HydrophobicContact CD2-CG2 3.8Å; F605-I729 HydrophobicContact CE2-CG2 4.5Å
606	Y	92	Very high	88	Confident	1 Å²	1	30.1 Å²	30.1	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120.2	-170.4	-60.3	-90.7	0	0	0	110.1	V100 F104 L117 G604 R694 F727 L728 F730	V100-Y606 HydrophobicContact CB-CE1 4.43Å; V100-Y606 HydrophobicContact CG1-CD1 4.36Å; V100-Y606 HydrophobicContact CG1-CE1 3.61Å; V100-Y606 HydrophobicContact CG1-CE2 4.02Å; V100-Y606 VanDerWaalsContact CG1-CZ 3.4Å; V100-Y606 WeakPolarHBondContact CG1-OH 3.27Å; V100-Y606 HydrophobicContact CG2-CD1 4.06Å; V100-Y606 HydrophobicContact CG2-CD2 3.64Å; V100-Y606 HydrophobicContact CG2-CE1 4.04Å; V100-Y606 HydrophobicContact CG2-CE2 3.6Å; V100-Y606 HydrophobicContact CG2-CG 3.87Å; F104-Y606 AromaticContact CD2-CD1 3.64Å; F104-Y606 HydrophobicContact CD2-CD1 3.64Å; F104-Y606 AromaticContact CD2-CE1 3.84Å; F104-Y606 HydrophobicContact CD2-CE1 3.84Å; F104-Y606 AromaticContact CE2-CD1 3.77Å; F104-Y606 HydrophobicContact CE2-CD1 3.77Å; F104-Y606 HydrophobicContact CE2-CE1 4.36Å; F104-Y606 HydrophobicContact CG-CE1 4.39Å; L117-Y606 WeakPolarHBondContact CD2-OH 3.27Å; G604-Y606 VanDerWaalsContact C-CE2 3.42Å; G604-Y606 VanDerWaalsContact CA-CE2 3.46Å; G604-Y606 VanDerWaalsContact O-CD2 3.27Å; G604-Y606 WeakPolarHBondContact O-CD2 3.43Å; G604-Y606 WeakPolarHBondContact O-CE2 3.49Å; Y606-R694 HydrophobicContact CD1-CB 3.55Å; Y606-R694 HydrophobicContact CE1-CB 3.78Å; Y606-R694 HydrophobicContact CE1-CG 4.43Å; Y606-R694 HydrophobicContact CG-CB 4.36Å; Y606-F727 CarbonylContact O-C 3.36Å; Y606-F727 WeakPolarHBondContact O-CA 3.22Å; Y606-F727 WeakPolarHBondContact O-CB 3.17Å; Y606-L728 HydrophobicContact CD2-CD1 3.66Å; Y606-L728 HydrophobicContact CG-CD1 4.02Å; Y606-L728 PolarHBondContact N-O 3.35Å; Y606-L728 PolarHBondContact O-N 3.28Å; Y606-F730 HydrophobicContact CD2-CB 4.27Å; Y606-F730 HydrophobicContact CE2-CB 3.89Å
607	I	93.6	Very high	88.3	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	102.9	170.8	-58.3	164.6	0	0	0	105.6	F605 E609 A611 Y613 L622 A692 S693 V725 F727	F605-I607 HydrophobicContact CD1-CG1 4.21Å; F605-I607 HydrophobicContact CE1-CD1 4.13Å; F605-I607 HydrophobicContact CE1-CG1 3.82Å; I607-E609 WeakPolarHBondContact CG2-O 3.39Å; I607-A611 HydrophobicContact CG2-CB 4.13Å; I607-Y613 WeakPolarHBondContact CB-OH 3.33Å; I607-Y613 HydrophobicContact CD1-CE1 3.82Å; I607-Y613 WeakPolarHBondContact CD1-OH 3.49Å; I607-Y613 VanDerWaalsContact CG2-OH 3.31Å; I607-Y613 WeakPolarHBondContact CG2-OH 3.21Å; I607-L622 HydrophobicContact CD1-CD1 4.11Å; I607-L622 HydrophobicContact CD1-CD2 3.86Å; I607-A692 CarbonylContact O-C 3.58Å; I607-A692 WeakPolarHBondContact O-CA 3.38Å; I607-A692 WeakPolarHBondContact O-CB 3.48Å; I607-S693 PolarHBondContact N-O 3.28Å; I607-S693 PolarHBondContact O-N 2.97Å; I607-V725 HydrophobicContact CG1-CG1 4.44Å; I607-V725 HydrophobicContact CG2-CG1 3.89Å; I607-F727 HydrophobicContact CG1-CB 4.32Å
608	Y	90.8	Very high	88.7	Confident	79 Å²	79	30.8 Å²	30.8	31%	0.31	18%	0.177	S	C	.	.			trans	-95.1	-0.6	-169.1	65.3	-92.9	0	0	0	113.5	R726 L728	Y608-R726 HydrophobicContact CE1-CB 4.04Å; Y608-R726 HydrophobicContact CE2-CB 4.37Å; Y608-L728 HydrophobicContact CD1-CB 4.37Å; Y608-L728 HydrophobicContact CD1-CD2 3.75Å; Y608-L728 HydrophobicContact CD1-CG 4.07Å; Y608-L728 HydrophobicContact CE1-CB 4.44Å; Y608-L728 HydrophobicContact CE1-CD2 4.28Å; Y608-L728 HydrophobicContact CG-CD2 4.31Å
609	E	89.5	Confident	89.3	Confident	73 Å²	73	28.4 Å²	28.4	34%	0.341	16%	0.159	S	C	.	.	S	Bend	trans	-124.4	156.5	174.2	-73.5	179.3	-170.2	0	0	110.7	I607 A611 A691 R726	I607-E609 WeakPolarHBondContact CG2-O 3.39Å; E609-A611 PolarHBondContact O-N 3.25Å; E609-A691 CarbonylContact C-O 3.45Å; E609-R726 WeakPolarHBondContact OE1-CD 3Å; E609-R726 IonicContact OE1-CZ 3.05Å; E609-R726 IonicContact OE1-NE 2.89Å; E609-R726 IonicContact OE1-NH1 2.75Å; E609-R726 PolarHBondContact OE1-NH1 2.9Å; E609-R726 VanDerWaalsContact OE2-CD 3.24Å; E609-R726 WeakPolarHBondContact OE2-CD 3.49Å; E609-R726 IonicContact OE2-CZ 3.4Å; E609-R726 IonicContact OE2-NE 3.92Å; E609-R726 IonicContact OE2-NH1 3.81Å; E609-R726 PolarHBondContact OE2-NH1 3.49Å
610	S	88.9	Confident	89.7	Confident	67 Å²	67	34.1 Å²	34.1	47%	0.469	18%	0.18	S	C	.	.			trans	-62.1	120.3	176.1	179.2	0	0	0	0	110.4	V690 A691	S610-V690 WeakPolarHBondContact CA-O 3.45Å; S610-V690 PolarHBondContact OG-O 3.39Å; S610-A691 PolarHBondContact N-O 3.4Å
611	A	88.8	Confident	90.1	Very high	6 Å²	6	35.3 Å²	35.3	5%	0.05	19%	0.186	C	C	.	.			trans	-115.4	141.6	179.4	0	0	0	0	0	110	I607 E609 Y613 V725	I607-A611 HydrophobicContact CG2-CB 4.13Å; E609-A611 PolarHBondContact O-N 3.25Å; A611-Y613 VanDerWaalsContact C-N 3.29Å; A611-Y613 HydrophobicContact CB-CD2 4.48Å; A611-Y613 HydrophobicContact CB-CE1 4.41Å; A611-Y613 HydrophobicContact CB-CE2 3.99Å; A611-Y613 WeakPolarHBondContact O-CD2 3.43Å; A611-Y613 WeakPolarHBondContact O-CE2 3.19Å; A611-Y613 PolarHBondContact O-N 3.27Å; A611-V725 HydrophobicContact CB-CG1 4.13Å
612	P	90.6	Very high	90.6	Very high	45 Å²	45	33.5 Å²	33.5	29%	0.292	17%	0.174	S	C	.	.			trans	-79.9	77	-179	31.2	-32.1	0	0	0	111	W614 N615 V618	P612-W614 HydrophobicContact CB-CD2 4.27Å; P612-W614 HydrophobicContact CB-CH2 3.98Å; P612-W614 HydrophobicContact CB-CZ2 3.56Å; P612-W614 HydrophobicContact CB-CZ3 4.48Å; P612-W614 PolarHBondContact O-N 2.74Å; P612-W614 VanDerWaalsContact O-N 3.15Å; P612-N615 WeakPolarHBondContact O-CB 3.32Å; P612-N615 PolarHBondContact O-N 3.31Å; P612-N615 VanDerWaalsContact O-N 3.09Å; P612-V618 HydrophobicContact CG-CG2 3.98Å
613	Y	91.1	Very high	90.8	Very high	1 Å²	1	36 Å²	36	0%	0.004	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-20.4	-178.1	-63.1	-80.6	0	0	0	114	I607 A611 N615 Q619 L622 W634 L635 V690 S693	I607-Y613 WeakPolarHBondContact CB-OH 3.33Å; I607-Y613 HydrophobicContact CD1-CE1 3.82Å; I607-Y613 WeakPolarHBondContact CD1-OH 3.49Å; I607-Y613 VanDerWaalsContact CG2-OH 3.31Å; I607-Y613 WeakPolarHBondContact CG2-OH 3.21Å; A611-Y613 VanDerWaalsContact C-N 3.29Å; A611-Y613 HydrophobicContact CB-CD2 4.48Å; A611-Y613 HydrophobicContact CB-CE1 4.41Å; A611-Y613 HydrophobicContact CB-CE2 3.99Å; A611-Y613 WeakPolarHBondContact O-CD2 3.43Å; A611-Y613 WeakPolarHBondContact O-CE2 3.19Å; A611-Y613 PolarHBondContact O-N 3.27Å; Y613-N615 VanDerWaalsContact C-N 3.26Å; Y613-N615 PolarHBondContact O-N 3.36Å; Y613-Q619 WeakPolarHBondContact O-CG 3.41Å; Y613-Q619 PolarHBondContact O-NE2 3.36Å; Y613-L622 HydrophobicContact CD1-CD1 3.97Å; Y613-L622 HydrophobicContact CE1-CD1 3.84Å; Y613-W634 HydrophobicContact CD1-CH2 4.08Å; Y613-W634 HydrophobicContact CD1-CZ2 4.11Å; Y613-W634 HydrophobicContact CD2-CH2 4.31Å; Y613-W634 HydrophobicContact CE1-CH2 4.31Å; Y613-W634 AromaticContact CE1-CZ2 3.87Å; Y613-W634 HydrophobicContact CE1-CZ2 3.87Å; Y613-W634 HydrophobicContact CE2-CZ2 4.37Å; Y613-W634 HydrophobicContact CG-CH2 4.08Å; Y613-W634 HydrophobicContact CG-CZ2 4.44Å; Y613-L635 HydrophobicContact CD1-CD1 4.24Å; Y613-L635 HydrophobicContact CD1-CD2 4.29Å; Y613-V690 HydrophobicContact CD2-CB 4.14Å; Y613-V690 HydrophobicContact CD2-CG1 4.25Å; Y613-V690 HydrophobicContact CD2-CG2 4.48Å; Y613-V690 HydrophobicContact CE2-CB 3.87Å; Y613-V690 HydrophobicContact CE2-CG1 3.57Å; Y613-S693 PolarHBondContact OH-OG 2.83Å
614	W	90.5	Very high	90.9	Very high	50 Å²	50	41.5 Å²	41.5	19%	0.189	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-12.5	177	56.4	86	0	0	0	113.6	P612 R653 F656	P612-W614 HydrophobicContact CB-CD2 4.27Å; P612-W614 HydrophobicContact CB-CH2 3.98Å; P612-W614 HydrophobicContact CB-CZ2 3.56Å; P612-W614 HydrophobicContact CB-CZ3 4.48Å; P612-W614 PolarHBondContact O-N 2.74Å; P612-W614 VanDerWaalsContact O-N 3.15Å; W614-R653 HydrophobicContact CD2-CB 3.85Å; W614-R653 HydrophobicContact CD2-CG 4.07Å; W614-R653 HydrophobicContact CE3-CB 4.09Å; W614-R653 HydrophobicContact CE3-CG 3.8Å; W614-R653 HydrophobicContact CG-CB 4.36Å; W614-R653 HydrophobicContact CH2-CB 4.28Å; W614-R653 HydrophobicContact CH2-CG 3.64Å; W614-R653 HydrophobicContact CZ2-CB 4.04Å; W614-R653 HydrophobicContact CZ2-CG 3.9Å; W614-R653 HydrophobicContact CZ3-CB 4.31Å; W614-R653 HydrophobicContact CZ3-CG 3.59Å; W614-F656 HydrophobicContact CB-CB 3.96Å; W614-F656 HydrophobicContact CB-CD2 3.99Å; W614-F656 HydrophobicContact CB-CG 3.94Å
615	N	92.6	Very high	90.7	Very high	65 Å²	65	43.5 Å²	43.5	35%	0.348	22%	0.221	S	C	.	.	S	Bend	trans	-86.4	126.8	177.5	-73.3	-17.5	0	0	0	111.5	P612 Y613 S617 V618 Q619	P612-N615 WeakPolarHBondContact O-CB 3.32Å; P612-N615 PolarHBondContact O-N 3.31Å; P612-N615 VanDerWaalsContact O-N 3.09Å; Y613-N615 VanDerWaalsContact C-N 3.26Å; Y613-N615 PolarHBondContact O-N 3.36Å; N615-S617 PolarHBondContact O-N 3.32Å; N615-V618 HydrophobicContact CB-CB 4.48Å; N615-V618 HydrophobicContact CB-CG2 4.36Å; N615-V618 PolarHBondContact O-N 2.69Å; N615-V618 VanDerWaalsContact O-N 3.15Å; N615-Q619 WeakPolarHBondContact O-CG 3.46Å; N615-Q619 PolarHBondContact O-N 3.29Å; N615-Q619 VanDerWaalsContact O-N 3.08Å
616	A	90.7	Very high	90.5	Very high	40 Å²	40	43.7 Å²	43.7	33%	0.331	22%	0.223	S	C	.	.	H	α-helix	trans	-60.1	-28.2	179.9	0	0	0	0	0	114.5	R620	A616-R620 WeakPolarHBondContact O-CB 3.43Å; A616-R620 PolarHBondContact O-N 2.92Å; A616-R620 VanDerWaalsContact O-N 3.1Å
617	S	92.2	Very high	90.3	Very high	49 Å²	49	51.2 Å²	51.2	34%	0.343	26%	0.256	S	S	.	.	H	α-helix	trans	-67	-46.6	175.3	51.4	0	0	0	0	112	N615 R620 D621	N615-S617 PolarHBondContact O-N 3.32Å; S617-R620 PolarHBondContact O-N 3.34Å; S617-D621 VanDerWaalsContact O-CG 3.3Å; S617-D621 PolarHBondContact O-N 3.37Å
618	V	90.8	Very high	89.8	Confident	15 Å²	15	55 Å²	55	9%	0.091	29%	0.294	C	S	.	.	H	α-helix	trans	-66.5	-40	178.2	174.2	0	0	0	0	111.2	P612 N615 R620 D621 L622 V725	P612-V618 HydrophobicContact CG-CG2 3.98Å; N615-V618 HydrophobicContact CB-CB 4.48Å; N615-V618 HydrophobicContact CB-CG2 4.36Å; N615-V618 PolarHBondContact O-N 2.69Å; N615-V618 VanDerWaalsContact O-N 3.15Å; V618-R620 VanDerWaalsContact C-N 3.3Å; V618-R620 PolarHBondContact O-N 3.1Å; V618-D621 PolarHBondContact O-N 2.91Å; V618-L622 HydrophobicContact CG1-CD1 4.05Å; V618-L622 HydrophobicContact CG1-CG 4.41Å; V618-L622 WeakPolarHBondContact O-CB 3.35Å; V618-L622 WeakPolarHBondContact O-CG 3.38Å; V618-L622 PolarHBondContact O-N 3.49Å; V618-V725 HydrophobicContact CG1-CG2 3.86Å
619	Q	91.9	Very high	89.7	Confident	10 Å²	10	52.5 Å²	52.5	5%	0.047	29%	0.286	C	S	.	.	H	α-helix	trans	-56.3	-46.2	172.7	-67.1	171.3	2.4	0	0	111	Y613 N615 L623 L639 T649	Y613-Q619 WeakPolarHBondContact O-CG 3.41Å; Y613-Q619 PolarHBondContact O-NE2 3.36Å; N615-Q619 WeakPolarHBondContact O-CG 3.46Å; N615-Q619 PolarHBondContact O-N 3.29Å; N615-Q619 VanDerWaalsContact O-N 3.08Å; Q619-L623 WeakPolarHBondContact O-CB 3.1Å; Q619-L623 WeakPolarHBondContact O-CD1 3.25Å; Q619-L623 WeakPolarHBondContact O-CG 3.42Å; Q619-L623 PolarHBondContact O-N 3.35Å; Q619-L639 HydrophobicContact CB-CD1 4.47Å; Q619-L639 HydrophobicContact CG-CD1 4.46Å; Q619-T649 PolarHBondContact NE2-O 2.91Å
620	R	91.2	Very high	89.6	Confident	153 Å²	153	53 Å²	53	58%	0.577	29%	0.288	S	S	*	.	H	α-helix	trans	-65	-46.3	179.4	-163.2	-173.8	-50.9	116.8	3.4	112.3	A616 S617 V618 L622 L623 E624	A616-R620 WeakPolarHBondContact O-CB 3.43Å; A616-R620 PolarHBondContact O-N 2.92Å; A616-R620 VanDerWaalsContact O-N 3.1Å; S617-R620 PolarHBondContact O-N 3.34Å; V618-R620 VanDerWaalsContact C-N 3.3Å; V618-R620 PolarHBondContact O-N 3.1Å; R620-L622 VanDerWaalsContact C-N 3.34Å; R620-L622 PolarHBondContact O-N 3.3Å; R620-L623 PolarHBondContact O-N 3.48Å; R620-E624 WeakPolarHBondContact O-CB 3.44Å; R620-E624 PolarHBondContact O-N 2.96Å
621	D	90.5	Very high	89.6	Confident	30 Å²	30	52.3 Å²	52.3	16%	0.16	28%	0.275	C	S	.	.	H	α-helix	trans	-59.1	-45.5	178.9	-67.3	-8.6	0	0	0	110.8	S617 V618 E624 Y625	S617-D621 VanDerWaalsContact O-CG 3.3Å; S617-D621 PolarHBondContact O-N 3.37Å; V618-D621 PolarHBondContact O-N 2.91Å; D621-E624 PolarHBondContact O-N 3.34Å; D621-Y625 HydrophobicContact CB-CE2 4.27Å; D621-Y625 WeakPolarHBondContact O-CD1 3.45Å; D621-Y625 WeakPolarHBondContact O-CD2 3.45Å; D621-Y625 PolarHBondContact O-N 3.1Å
622	L	89.9	Confident	89.5	Confident	8 Å²	8	52.5 Å²	52.5	4%	0.042	28%	0.275	C	S	.	.	H	α-helix	trans	-64.4	-41.5	177.7	-72	175.3	0	0	0	112.7	F605 I607 Y613 V618 R620 E624 Y625 A626 L635 V725	F605-L622 HydrophobicContact CE1-CD2 4.17Å; F605-L622 HydrophobicContact CZ-CD2 4.46Å; I607-L622 HydrophobicContact CD1-CD1 4.11Å; I607-L622 HydrophobicContact CD1-CD2 3.86Å; Y613-L622 HydrophobicContact CD1-CD1 3.97Å; Y613-L622 HydrophobicContact CE1-CD1 3.84Å; V618-L622 HydrophobicContact CG1-CD1 4.05Å; V618-L622 HydrophobicContact CG1-CG 4.41Å; V618-L622 WeakPolarHBondContact O-CB 3.35Å; V618-L622 WeakPolarHBondContact O-CG 3.38Å; V618-L622 PolarHBondContact O-N 3.49Å; R620-L622 VanDerWaalsContact C-N 3.34Å; R620-L622 PolarHBondContact O-N 3.3Å; L622-E624 VanDerWaalsContact C-N 3.27Å; L622-E624 PolarHBondContact O-N 2.96Å; L622-Y625 HydrophobicContact CD2-CD2 4.34Å; L622-Y625 PolarHBondContact O-N 3.4Å; L622-A626 PolarHBondContact O-N 2.94Å; L622-A626 VanDerWaalsContact O-N 3.16Å; L622-L635 HydrophobicContact CB-CD2 4.29Å; L622-L635 HydrophobicContact CD1-CD2 3.77Å; L622-V725 HydrophobicContact CD2-CB 4.42Å; L622-V725 HydrophobicContact CD2-CG1 4.2Å; L622-V725 HydrophobicContact CD2-CG2 4.38Å
623	L	90.2	Very high	89.5	Confident	55 Å²	55	51 Å²	51	29%	0.288	27%	0.265	S	S	.	.	H	α-helix	trans	-66.9	-31.5	176.2	-69.8	169.7	0	0	0	112.1	Q619 R620 K627 R631 L639	Q619-L623 WeakPolarHBondContact O-CB 3.1Å; Q619-L623 WeakPolarHBondContact O-CD1 3.25Å; Q619-L623 WeakPolarHBondContact O-CG 3.42Å; Q619-L623 PolarHBondContact O-N 3.35Å; R620-L623 PolarHBondContact O-N 3.48Å; L623-K627 PolarHBondContact O-N 3.33Å; L623-R631 PolarHBondContact O-NH1 3.42Å; L623-L639 HydrophobicContact CD1-CD1 4.32Å
624	E	90.1	Very high	89.5	Confident	118 Å²	118	51 Å²	51	55%	0.551	27%	0.265	S	S	*	.	H	α-helix	trans	-73.5	-41.7	175.8	-175.6	161.4	-159.3	0	0	112.1	R620 D621 L622 A626 K627	R620-E624 WeakPolarHBondContact O-CB 3.44Å; R620-E624 PolarHBondContact O-N 2.96Å; D621-E624 PolarHBondContact O-N 3.34Å; L622-E624 VanDerWaalsContact C-N 3.27Å; L622-E624 PolarHBondContact O-N 2.96Å; E624-A626 PolarHBondContact O-N 3.49Å; E624-K627 WeakPolarHBondContact O-CB 3.25Å; E624-K627 PolarHBondContact O-N 3.38Å
625	Y	87.8	Confident	89.6	Confident	42 Å²	42	48.7 Å²	48.7	17%	0.165	26%	0.257	C	S	.	.	H	α-helix	trans	-60.8	-35	173.6	-59.4	-23.4	0	0	0	112.2	F605 D621 L622 K627 S723 F727	F605-Y625 HydrophobicContact CZ-CD2 4.49Å; D621-Y625 HydrophobicContact CB-CE2 4.27Å; D621-Y625 WeakPolarHBondContact O-CD1 3.45Å; D621-Y625 WeakPolarHBondContact O-CD2 3.45Å; D621-Y625 PolarHBondContact O-N 3.1Å; L622-Y625 HydrophobicContact CD2-CD2 4.34Å; L622-Y625 PolarHBondContact O-N 3.4Å; Y625-K627 VanDerWaalsContact C-N 3.31Å; Y625-S723 VanDerWaalsContact OH-CB 3.27Å; Y625-S723 WeakPolarHBondContact OH-CB 3.31Å; Y625-F727 HydrophobicContact CD2-CD1 4.45Å; Y625-F727 AromaticContact CD2-CE1 3.93Å; Y625-F727 HydrophobicContact CD2-CE1 3.93Å; Y625-F727 HydrophobicContact CE2-CE1 4.07Å
626	A	86.9	Confident	89.6	Confident	11 Å²	11	49.2 Å²	49.2	9%	0.091	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	6.5	176.2	0	0	0	0	0	113.6	L622 E624 G628 F629 L697	L622-A626 PolarHBondContact O-N 2.94Å; L622-A626 VanDerWaalsContact O-N 3.16Å; E624-A626 PolarHBondContact O-N 3.49Å; A626-G628 PolarHBondContact O-N 2.95Å; A626-F629 PolarHBondContact O-N 2.93Å; A626-L697 HydrophobicContact CB-CD2 3.85Å
627	K	87.4	Confident	89.6	Confident	159 Å²	159	48.1 Å²	48.1	69%	0.691	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	133.7	-178.7	-171.2	178.6	-179.2	-179.7	0	110.7	L623 E624 Y625 F629	L623-K627 PolarHBondContact O-N 3.33Å; E624-K627 WeakPolarHBondContact O-CB 3.25Å; E624-K627 PolarHBondContact O-N 3.38Å; Y625-K627 VanDerWaalsContact C-N 3.31Å; K627-F629 VanDerWaalsContact C-N 3.31Å
628	G	83.7	Confident	89.6	Confident	78 Å²	78	45.8 Å²	45.8	80%	0.804	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.4	-7.6	-179.3	0	0	0	0	0	114.7	A626	A626-G628 PolarHBondContact O-N 2.95Å
629	F	87.8	Confident	89.8	Confident	28 Å²	28	46 Å²	46	12%	0.123	23%	0.232	C	C	.	.	S	Bend	trans	-91.5	148.3	172.1	-63.5	-93.6	0	0	0	111.4	A626 K627 L697 V698 A699 L712 L716	A626-F629 PolarHBondContact O-N 2.93Å; K627-F629 VanDerWaalsContact C-N 3.31Å; F629-L697 HydrophobicContact CB-CB 4.32Å; F629-L697 HydrophobicContact CB-CD2 4.28Å; F629-L697 HydrophobicContact CD1-CB 4Å; F629-L697 HydrophobicContact CG-CB 4.23Å; F629-V698 WeakPolarHBondContact CA-O 3.24Å; F629-A699 HydrophobicContact CD1-CB 3.97Å; F629-A699 HydrophobicContact CE1-CB 3.89Å; F629-L712 HydrophobicContact CE1-CD1 4.23Å; F629-L712 HydrophobicContact CE1-CD2 4.14Å; F629-L712 HydrophobicContact CZ-CD1 3.82Å; F629-L716 HydrophobicContact CZ-CD1 4.07Å; F629-L716 HydrophobicContact CZ-CD2 4.22Å
630	Q	87.4	Confident	89.7	Confident	82 Å²	82	48 Å²	48	38%	0.383	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	131.4	156.4	-66.6	-66.6	-31.6	0	0	107.3	P212 Y599 V698	P212-Q630 HydrophobicContact CG-CB 4.4Å; P212-Q630 HydrophobicContact CG-CG 3.99Å; Y599-Q630 HydrophobicContact CE1-CG 3.98Å; Q630-V698 HydrophobicContact CB-CB 4.22Å; Q630-V698 PolarHBondContact N-O 3.26Å; Q630-V698 PolarHBondContact O-N 3.23Å
631	R	88.6	Confident	89.8	Confident	54 Å²	54	41.3 Å²	41.3	20%	0.204	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	142	-167.7	57.5	-172.4	-169.9	-160.6	2.3	112.4	L623 E636 F696 L697	L623-R631 PolarHBondContact O-NH1 3.42Å; R631-E636 IonicContact CZ-OE1 3.26Å; R631-E636 IonicContact CZ-OE2 3.95Å; R631-E636 VanDerWaalsContact CZ-OE2 3.3Å; R631-E636 IonicContact NE-OE1 3.82Å; R631-E636 IonicContact NE-OE2 3.69Å; R631-E636 PolarHBondContact NE-OE2 2.87Å; R631-E636 IonicContact NH2-OE1 2.74Å; R631-E636 PolarHBondContact NH2-OE1 2.98Å; R631-E636 IonicContact NH2-OE2 2.63Å; R631-E636 PolarHBondContact NH2-OE2 3.33Å; R631-F696 VanDerWaalsContact CA-O 3.26Å; R631-F696 WeakPolarHBondContact CA-O 3.23Å; R631-L697 HydrophobicContact CB-CD2 3.77Å
632	I	87.1	Confident	89.9	Confident	10 Å²	10	39.9 Å²	39.9	5%	0.051	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	104.5	164.4	-69.3	177.7	0	0	0	105.7	Y114 I213 Y223 F673 F696	Y114-I632 HydrophobicContact CE1-CD1 4.46Å; Y114-I632 WeakPolarHBondContact OH-CD1 3.41Å; I213-I632 HydrophobicContact CD1-CG1 4.08Å; Y223-I632 HydrophobicContact CG-CD1 4.5Å; I632-F673 HydrophobicContact CG2-CE1 3.84Å; I632-F673 HydrophobicContact CG2-CZ 4.28Å; I632-F696 HydrophobicContact CB-CB 4.38Å; I632-F696 HydrophobicContact CB-CD2 4.47Å; I632-F696 HydrophobicContact CG2-CD2 4.36Å; I632-F696 PolarHBondContact N-O 3.16Å; I632-F696 PolarHBondContact O-N 3.31Å
633	S	90.8	Very high	90	Very high	12 Å²	12	42.9 Å²	42.9	8%	0.084	24%	0.237	C	C	.	.			trans	-129.1	117.8	-171.9	-179.8	0	0	0	0	110.7	L635 E636 A637	S633-L635 PolarHBondContact O-N 3.17Å; S633-L635 PolarHBondContact OG-N 3.28Å; S633-E636 PolarHBondContact O-N 3.3Å; S633-E636 PolarHBondContact OG-N 3.13Å; S633-A637 PolarHBondContact O-N 3.27Å; S633-A637 VanDerWaalsContact O-N 3.13Å
634	W	91.8	Very high	90	Very high	1 Å²	1	46.6 Å²	46.6	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-57.4	-37.2	170.7	72.2	-96.3	0	0	0	111.4	Y613 A637 Y638 L660 F673 I677 S693	Y613-W634 HydrophobicContact CD1-CH2 4.08Å; Y613-W634 HydrophobicContact CD1-CZ2 4.11Å; Y613-W634 HydrophobicContact CD2-CH2 4.31Å; Y613-W634 HydrophobicContact CE1-CH2 4.31Å; Y613-W634 AromaticContact CE1-CZ2 3.87Å; Y613-W634 HydrophobicContact CE1-CZ2 3.87Å; Y613-W634 HydrophobicContact CE2-CZ2 4.37Å; Y613-W634 HydrophobicContact CG-CH2 4.08Å; Y613-W634 HydrophobicContact CG-CZ2 4.44Å; W634-A637 PolarHBondContact O-N 2.83Å; W634-Y638 WeakPolarHBondContact O-CB 3.48Å; W634-Y638 PolarHBondContact O-N 3.13Å; W634-L660 HydrophobicContact CE3-CD1 4.04Å; W634-L660 HydrophobicContact CH2-CD2 4.37Å; W634-L660 HydrophobicContact CZ3-CD1 3.93Å; W634-L660 HydrophobicContact CZ3-CD2 3.87Å; W634-F673 HydrophobicContact CB-CB 3.78Å; W634-F673 HydrophobicContact CB-CD1 3.51Å; W634-F673 HydrophobicContact CB-CD2 4.2Å; W634-F673 HydrophobicContact CB-CE1 4.08Å; W634-F673 HydrophobicContact CB-CG 3.58Å; W634-I677 HydrophobicContact CB-CD1 4.35Å; W634-I677 HydrophobicContact CD2-CD1 3.48Å; W634-I677 VanDerWaalsContact CD2-CD1 3.48Å; W634-I677 HydrophobicContact CD2-CG1 3.88Å; W634-I677 HydrophobicContact CE3-CD1 3.53Å; W634-I677 HydrophobicContact CE3-CG1 4.4Å; W634-I677 HydrophobicContact CG-CD1 3.87Å; W634-I677 HydrophobicContact CG-CG1 4.02Å; W634-I677 HydrophobicContact CH2-CD1 4.42Å; W634-I677 HydrophobicContact CZ2-CD1 4.4Å; W634-I677 HydrophobicContact CZ2-CG1 4.46Å; W634-I677 HydrophobicContact CZ3-CD1 4.02Å; W634-S693 PolarHBondContact NE1-OG 3.23Å
635	L	92.8	Very high	90	Very high	2 Å²	2	47 Å²	47	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-63.1	-49.9	-179.2	-179.2	63.7	0	0	0	111.9	Y613 L622 S633 Y638 L639 F656	Y613-L635 HydrophobicContact CD1-CD1 4.24Å; Y613-L635 HydrophobicContact CD1-CD2 4.29Å; L622-L635 HydrophobicContact CB-CD2 4.29Å; L622-L635 HydrophobicContact CD1-CD2 3.77Å; S633-L635 PolarHBondContact O-N 3.17Å; S633-L635 PolarHBondContact OG-N 3.28Å; L635-Y638 PolarHBondContact O-N 3.34Å; L635-L639 HydrophobicContact CD1-CD1 4.4Å; L635-L639 HydrophobicContact CD1-CG 4.36Å; L635-L639 HydrophobicContact CG-CD1 4.23Å; L635-L639 VanDerWaalsContact O-CG 3.25Å; L635-L639 WeakPolarHBondContact O-CG 3.33Å; L635-L639 PolarHBondContact O-N 3.37Å; L635-F656 HydrophobicContact CD1-CZ 4.48Å
636	E	91.6	Very high	90	Very high	76 Å²	76	52.4 Å²	52.4	36%	0.355	29%	0.285	S	S	.	.	H	α-helix	trans	-64	-43.4	178.2	-176.2	172.4	-151.4	0	0	112.1	R631 S633 Y638 L639 S640	R631-E636 IonicContact CZ-OE1 3.26Å; R631-E636 IonicContact CZ-OE2 3.95Å; R631-E636 VanDerWaalsContact CZ-OE2 3.3Å; R631-E636 IonicContact NE-OE1 3.82Å; R631-E636 IonicContact NE-OE2 3.69Å; R631-E636 PolarHBondContact NE-OE2 2.87Å; R631-E636 IonicContact NH2-OE1 2.74Å; R631-E636 PolarHBondContact NH2-OE1 2.98Å; R631-E636 IonicContact NH2-OE2 2.63Å; R631-E636 PolarHBondContact NH2-OE2 3.33Å; S633-E636 PolarHBondContact O-N 3.3Å; S633-E636 PolarHBondContact OG-N 3.13Å; E636-Y638 VanDerWaalsContact C-N 3.26Å; E636-Y638 PolarHBondContact O-N 3.08Å; E636-L639 PolarHBondContact O-N 3.22Å; E636-S640 PolarHBondContact O-N 3.03Å; E636-S640 PolarHBondContact O-OG 2.78Å
637	A	91.1	Very high	90.1	Very high	18 Å²	18	55.7 Å²	55.7	15%	0.149	30%	0.299	C	S	.	.	H	α-helix	trans	-61.2	-36.1	175.5	0	0	0	0	0	112.2	S633 W634 S640 Y641 F664 F670 F673	S633-A637 PolarHBondContact O-N 3.27Å; S633-A637 VanDerWaalsContact O-N 3.13Å; W634-A637 PolarHBondContact O-N 2.83Å; A637-S640 WeakPolarHBondContact CA-OG 3.31Å; A637-S640 PolarHBondContact O-OG 3.07Å; A637-Y641 VanDerWaalsContact O-CB 3.23Å; A637-Y641 WeakPolarHBondContact O-CB 3.32Å; A637-Y641 PolarHBondContact O-N 3.26Å; A637-F664 HydrophobicContact CB-CE2 4.4Å; A637-F664 HydrophobicContact CB-CZ 4.02Å; A637-F670 HydrophobicContact CB-CD1 4.44Å; A637-F670 HydrophobicContact CB-CE1 4.26Å; A637-F673 HydrophobicContact CB-CE2 3.76Å; A637-F673 HydrophobicContact CB-CZ 4.18Å
638	Y	93.4	Very high	90.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-71.6	-41	175.8	-176.7	-121.7	0	0	0	112.2	W634 L635 E636 Y641 L642 F656 T659 L660 F664	W634-Y638 WeakPolarHBondContact O-CB 3.48Å; W634-Y638 PolarHBondContact O-N 3.13Å; L635-Y638 PolarHBondContact O-N 3.34Å; E636-Y638 VanDerWaalsContact C-N 3.26Å; E636-Y638 PolarHBondContact O-N 3.08Å; Y638-Y641 HydrophobicContact CD2-CD1 4.19Å; Y638-Y641 HydrophobicContact CE2-CD1 4.23Å; Y638-Y641 WeakPolarHBondContact O-CB 3.44Å; Y638-Y641 PolarHBondContact O-N 2.82Å; Y638-L642 HydrophobicContact CD1-CD1 4.23Å; Y638-L642 HydrophobicContact CE1-CD1 3.78Å; Y638-L642 HydrophobicContact CE1-CG 4.38Å; Y638-L642 HydrophobicContact CE2-CD1 4.48Å; Y638-L642 HydrophobicContact CE2-CD2 4.22Å; Y638-L642 HydrophobicContact CE2-CG 4.22Å; Y638-L642 WeakPolarHBondContact O-CG 3.26Å; Y638-L642 PolarHBondContact O-N 3.27Å; Y638-F656 HydrophobicContact CD1-CE1 4.47Å; Y638-F656 AromaticContact CD1-CE2 3.9Å; Y638-F656 HydrophobicContact CD1-CE2 3.9Å; Y638-F656 AromaticContact CD1-CZ 3.76Å; Y638-F656 HydrophobicContact CD1-CZ 3.76Å; Y638-F656 HydrophobicContact CE1-CD1 4.38Å; Y638-F656 AromaticContact CE1-CD2 3.83Å; Y638-F656 HydrophobicContact CE1-CD2 3.83Å; Y638-F656 HydrophobicContact CE1-CE1 4.01Å; Y638-F656 AromaticContact CE1-CE2 3.44Å; Y638-F656 HydrophobicContact CE1-CE2 3.44Å; Y638-F656 VanDerWaalsContact CE1-CE2 3.44Å; Y638-F656 HydrophobicContact CE1-CG 4.29Å; Y638-F656 AromaticContact CE1-CZ 3.53Å; Y638-F656 HydrophobicContact CE1-CZ 3.53Å; Y638-F656 PolarHBondContact OH-O 2.9Å; Y638-T659 HydrophobicContact CE2-CG2 4.22Å; Y638-T659 VanDerWaalsContact OH-CB 3.26Å; Y638-T659 WeakPolarHBondContact OH-CB 3.46Å; Y638-T659 WeakPolarHBondContact OH-CG2 3.47Å; Y638-L660 HydrophobicContact CD1-CD1 4.21Å; Y638-L660 HydrophobicContact CD2-CD1 3.93Å; Y638-L660 HydrophobicContact CE1-CB 4.32Å; Y638-L660 HydrophobicContact CE1-CD1 4.37Å; Y638-L660 HydrophobicContact CE2-CB 4.18Å; Y638-L660 HydrophobicContact CE2-CD1 4.14Å; Y638-L660 HydrophobicContact CG-CD1 3.97Å; Y638-L660 PolarHBondContact OH-N 3.31Å; Y638-F664 HydrophobicContact CD2-CB 3.72Å; Y638-F664 AromaticContact CD2-CD1 3.98Å; Y638-F664 HydrophobicContact CD2-CD1 3.98Å; Y638-F664 AromaticContact CD2-CD2 3.75Å; Y638-F664 HydrophobicContact CD2-CD2 3.75Å; Y638-F664 HydrophobicContact CD2-CE2 4.28Å; Y638-F664 AromaticContact CD2-CG 3.56Å; Y638-F664 HydrophobicContact CD2-CG 3.56Å; Y638-F664 HydrophobicContact CE2-CB 3.81Å; Y638-F664 HydrophobicContact CE2-CG 4.18Å
639	L	93.2	Very high	90.1	Very high	19 Å²	19	50.5 Å²	50.5	10%	0.099	27%	0.268	C	S	.	.	H	α-helix	trans	-65.3	-39.1	176.1	-67.2	176.6	0	0	0	111.8	Q619 L623 L635 E636 L642 S643 T649	Q619-L639 HydrophobicContact CB-CD1 4.47Å; Q619-L639 HydrophobicContact CG-CD1 4.46Å; L623-L639 HydrophobicContact CD1-CD1 4.32Å; L635-L639 HydrophobicContact CD1-CD1 4.4Å; L635-L639 HydrophobicContact CD1-CG 4.36Å; L635-L639 HydrophobicContact CG-CD1 4.23Å; L635-L639 VanDerWaalsContact O-CG 3.25Å; L635-L639 WeakPolarHBondContact O-CG 3.33Å; L635-L639 PolarHBondContact O-N 3.37Å; E636-L639 PolarHBondContact O-N 3.22Å; L639-L642 PolarHBondContact O-N 3.31Å; L639-S643 WeakPolarHBondContact O-CB 3.32Å; L639-S643 PolarHBondContact O-N 2.9Å; L639-T649 HydrophobicContact CB-CG2 4.46Å; L639-T649 HydrophobicContact CD2-CG2 3.82Å
640	S	91.3	Very high	90	Very high	53 Å²	53	52 Å²	52	37%	0.371	28%	0.282	S	S	.	.	H	α-helix	trans	-65.6	-42.4	173	63.2	0	0	0	0	111.3	E636 A637 L642 S643 D644	E636-S640 PolarHBondContact O-N 3.03Å; E636-S640 PolarHBondContact O-OG 2.78Å; A637-S640 WeakPolarHBondContact CA-OG 3.31Å; A637-S640 PolarHBondContact O-OG 3.07Å; S640-L642 VanDerWaalsContact C-N 3.33Å; S640-L642 PolarHBondContact O-N 3.37Å; S640-S643 CarbonylContact O-C 3.54Å; S640-S643 WeakPolarHBondContact O-CB 3.11Å; S640-S643 PolarHBondContact O-N 3.31Å; S640-S643 VanDerWaalsContact O-N 3.11Å; S640-D644 WeakPolarHBondContact O-CB 3.09Å; S640-D644 VanDerWaalsContact O-CG 3.23Å; S640-D644 PolarHBondContact O-N 2.79Å
641	Y	92.4	Very high	90	Very high	11 Å²	11	49.8 Å²	49.8	4%	0.043	27%	0.271	C	S	.	.	H	α-helix	trans	-57.7	-42.6	175.7	172	-98.2	0	0	0	113.2	A637 Y638 R645 T659 F664 E667 F670	A637-Y641 VanDerWaalsContact O-CB 3.23Å; A637-Y641 WeakPolarHBondContact O-CB 3.32Å; A637-Y641 PolarHBondContact O-N 3.26Å; Y638-Y641 HydrophobicContact CD2-CD1 4.19Å; Y638-Y641 HydrophobicContact CE2-CD1 4.23Å; Y638-Y641 WeakPolarHBondContact O-CB 3.44Å; Y638-Y641 PolarHBondContact O-N 2.82Å; Y641-R645 VanDerWaalsContact CE2-CZ 3.42Å; Y641-R645 VanDerWaalsContact CE2-NE 3.31Å; Y641-R645 VanDerWaalsContact CE2-NH2 3.33Å; Y641-R645 VanDerWaalsContact CZ-NE 3.34Å; Y641-R645 WeakPolarHBondContact O-CG 3.42Å; Y641-R645 PolarHBondContact O-N 3.46Å; Y641-R645 PolarHBondContact OH-NH1 3.14Å; Y641-R645 PolarHBondContact OH-NH2 3.47Å; Y641-T659 HydrophobicContact CE1-CG2 4.5Å; Y641-F664 HydrophobicContact CD1-CB 4.38Å; Y641-F664 AromaticContact CD1-CD2 3.95Å; Y641-F664 HydrophobicContact CD1-CD2 3.95Å; Y641-F664 HydrophobicContact CD2-CD2 4.18Å; Y641-F664 HydrophobicContact CE1-CB 4.15Å; Y641-F664 HydrophobicContact CE1-CD2 4.4Å; Y641-F664 AromaticContact CG-CD2 3.79Å; Y641-F664 HydrophobicContact CG-CD2 3.79Å; Y641-F664 HydrophobicContact CG-CE2 4.38Å; Y641-E667 WeakPolarHBondContact CE2-OE2 3.42Å; Y641-F670 HydrophobicContact CD2-CD2 4.42Å; Y641-F670 AromaticContact CD2-CE2 3.75Å; Y641-F670 HydrophobicContact CD2-CE2 3.75Å; Y641-F670 HydrophobicContact CD2-CZ 4.44Å; Y641-F670 HydrophobicContact CE2-CE2 4.24Å
642	L	92.7	Very high	90	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.6	-43	174.5	-68.3	177.7	0	0	0	111.3	Y638 L639 S640 R645 N646 Q647 T659	Y638-L642 HydrophobicContact CD1-CD1 4.23Å; Y638-L642 HydrophobicContact CE1-CD1 3.78Å; Y638-L642 HydrophobicContact CE1-CG 4.38Å; Y638-L642 HydrophobicContact CE2-CD1 4.48Å; Y638-L642 HydrophobicContact CE2-CD2 4.22Å; Y638-L642 HydrophobicContact CE2-CG 4.22Å; Y638-L642 WeakPolarHBondContact O-CG 3.26Å; Y638-L642 PolarHBondContact O-N 3.27Å; L639-L642 PolarHBondContact O-N 3.31Å; S640-L642 VanDerWaalsContact C-N 3.33Å; S640-L642 PolarHBondContact O-N 3.37Å; L642-R645 CarbonylContact O-C 3.47Å; L642-R645 PolarHBondContact O-N 3.14Å; L642-N646 PolarHBondContact O-N 3.22Å; L642-Q647 HydrophobicContact CB-CB 4.36Å; L642-Q647 HydrophobicContact CD2-CB 4.2Å; L642-Q647 VanDerWaalsContact CD2-OE1 3.25Å; L642-Q647 PolarHBondContact O-N 3.13Å; L642-T659 HydrophobicContact CD2-CG2 4.04Å
643	S	91.4	Very high	90	Very high	72 Å²	72	53.3 Å²	53.3	50%	0.503	29%	0.294	S	S	.	.	H	α-helix	trans	-62	-43.7	177.7	-172.9	0	0	0	0	112.3	L639 S640 R645 N646	L639-S643 WeakPolarHBondContact O-CB 3.32Å; L639-S643 PolarHBondContact O-N 2.9Å; S640-S643 CarbonylContact O-C 3.54Å; S640-S643 WeakPolarHBondContact O-CB 3.11Å; S640-S643 PolarHBondContact O-N 3.31Å; S640-S643 VanDerWaalsContact O-N 3.11Å; S643-R645 PolarHBondContact O-N 3.25Å; S643-N646 PolarHBondContact O-N 3.4Å
644	D	90.1	Very high	89.9	Confident	133 Å²	133	57.2 Å²	57.2	71%	0.711	31%	0.311	S	S	*	.	H	α-helix	trans	-63.6	-25.8	179	-69.5	-18.6	0	0	0	111.9	S640	S640-D644 WeakPolarHBondContact O-CB 3.09Å; S640-D644 VanDerWaalsContact O-CG 3.23Å; S640-D644 PolarHBondContact O-N 2.79Å
645	R	90.3	Very high	89.8	Confident	126 Å²	126	60.6 Å²	60.6	48%	0.475	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	9.6	174.4	-65.5	-176.5	177.6	-153.9	1	113.5	Y641 L642 S643 Q647 E667	Y641-R645 VanDerWaalsContact CE2-CZ 3.42Å; Y641-R645 VanDerWaalsContact CE2-NE 3.31Å; Y641-R645 VanDerWaalsContact CE2-NH2 3.33Å; Y641-R645 VanDerWaalsContact CZ-NE 3.34Å; Y641-R645 WeakPolarHBondContact O-CG 3.42Å; Y641-R645 PolarHBondContact O-N 3.46Å; Y641-R645 PolarHBondContact OH-NH1 3.14Å; Y641-R645 PolarHBondContact OH-NH2 3.47Å; L642-R645 CarbonylContact O-C 3.47Å; L642-R645 PolarHBondContact O-N 3.14Å; S643-R645 PolarHBondContact O-N 3.25Å; R645-Q647 HydrophobicContact CB-CG 4.22Å; R645-Q647 PolarHBondContact O-N 3.02Å; R645-E667 IonicContact NH2-OE2 3.23Å; R645-E667 PolarHBondContact NH2-OE2 3.48Å
646	N	88.6	Confident	89.7	Confident	156 Å²	156	60.6 Å²	60.6	83%	0.834	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	30.6	-175.5	-66.9	-33.2	0	0	0	114	L642 S643	L642-N646 PolarHBondContact O-N 3.22Å; S643-N646 PolarHBondContact O-N 3.4Å
647	Q	88.2	Confident	89.6	Confident	80 Å²	80	57 Å²	57	37%	0.374	31%	0.312	S	S	.	.			trans	-93	148	174.9	-64	-173.4	-5.5	0	0	110.8	L642 R645	L642-Q647 HydrophobicContact CB-CB 4.36Å; L642-Q647 HydrophobicContact CD2-CB 4.2Å; L642-Q647 VanDerWaalsContact CD2-OE1 3.25Å; L642-Q647 PolarHBondContact O-N 3.13Å; R645-Q647 HydrophobicContact CB-CG 4.22Å; R645-Q647 PolarHBondContact O-N 3.02Å
648	S	87.1	Confident	89.6	Confident	75 Å²	75	60.8 Å²	60.8	52%	0.524	32%	0.323	S	S	.	.			trans	-66.6	138.2	175.8	65.1	0	0	0	0	110.8	S650 Q651	S648-S650 VanDerWaalsContact C-N 3.34Å; S648-S650 PolarHBondContact OG-O 3.16Å; S648-Q651 WeakPolarHBondContact O-CG 3.41Å; S648-Q651 PolarHBondContact O-NE2 3.41Å
649	T	84.3	Confident	89.5	Confident	53 Å²	53	62 Å²	62	33%	0.325	33%	0.33	S	S	.	.	S	Bend	trans	-74.4	-26.7	175.2	51.9	0	0	0	0	112.9	Q619 L639	Q619-T649 PolarHBondContact NE2-O 2.91Å; L639-T649 HydrophobicContact CB-CG2 4.46Å; L639-T649 HydrophobicContact CD2-CG2 3.82Å
650	S	85.1	Confident	89.5	Confident	60 Å²	60	61.1 Å²	61.1	42%	0.42	33%	0.326	S	S	.	.	S	Bend	trans	-94.1	111.3	171.4	-166.6	0	0	0	0	108.2	S648	S648-S650 VanDerWaalsContact C-N 3.34Å; S648-S650 PolarHBondContact OG-O 3.16Å
651	Q	87.8	Confident	89.5	Confident	34 Å²	34	63.3 Å²	63.3	16%	0.159	33%	0.326	C	S	.	.			trans	-130.1	171.8	-179.3	-59.5	-174.5	3	0	0	110.1	S648 N655	S648-Q651 WeakPolarHBondContact O-CG 3.41Å; S648-Q651 PolarHBondContact O-NE2 3.41Å; Q651-N655 HydrophobicContact CB-CB 4.44Å
652	S	89.3	Confident	89.5	Confident	64 Å²	64	67.7 Å²	67.7	45%	0.448	35%	0.346	S	S	.	.			trans	-63.3	149.5	165.3	66.8	0	0	0	0	109.8	E654 N655 F656	S652-E654 VanDerWaalsContact C-N 3.29Å; S652-E654 PolarHBondContact O-N 3.23Å; S652-N655 PolarHBondContact O-N 2.91Å; S652-N655 WeakPolarHBondContact OG-CB 3.39Å; S652-N655 PolarHBondContact OG-ND2 3.41Å; S652-F656 WeakPolarHBondContact O-CB 3.38Å; S652-F656 PolarHBondContact O-N 2.95Å
653	R	87.4	Confident	89.5	Confident	75 Å²	75	70.1 Å²	70.1	28%	0.283	36%	0.363	S	S	.	.	H	α-helix	trans	-48.4	-49.8	179.1	176.4	-176.6	70.3	-179	3	112.7	W614 F656 T657	W614-R653 HydrophobicContact CD2-CB 3.85Å; W614-R653 HydrophobicContact CD2-CG 4.07Å; W614-R653 HydrophobicContact CE3-CB 4.09Å; W614-R653 HydrophobicContact CE3-CG 3.8Å; W614-R653 HydrophobicContact CG-CB 4.36Å; W614-R653 HydrophobicContact CH2-CB 4.28Å; W614-R653 HydrophobicContact CH2-CG 3.64Å; W614-R653 HydrophobicContact CZ2-CB 4.04Å; W614-R653 HydrophobicContact CZ2-CG 3.9Å; W614-R653 HydrophobicContact CZ3-CB 4.31Å; W614-R653 HydrophobicContact CZ3-CG 3.59Å; R653-F656 PolarHBondContact O-N 3.47Å; R653-T657 PolarHBondContact O-N 3.25Å; R653-T657 PolarHBondContact O-OG1 3.47Å
654	E	87.5	Confident	89.6	Confident	93 Å²	93	66.7 Å²	66.7	44%	0.435	34%	0.339	S	S	.	.	H	α-helix	trans	-64.1	-42.7	-177.1	-70.4	168.1	-159.6	0	0	112.3	S652 T657 R658 E687	S652-E654 VanDerWaalsContact C-N 3.29Å; S652-E654 PolarHBondContact O-N 3.23Å; E654-T657 PolarHBondContact O-N 3.38Å; E654-R658 WeakPolarHBondContact O-CB 3.35Å; E654-R658 PolarHBondContact O-N 3.44Å; E654-E687 HydrophobicContact CB-CG 4.44Å; E654-E687 HydrophobicContact CG-CG 4.43Å
655	N	89.6	Confident	89.7	Confident	73 Å²	73	61.3 Å²	61.3	39%	0.39	31%	0.31	S	S	.	.	H	α-helix	trans	-67.7	-39.2	177.9	-72.8	-8.8	0	0	0	111.4	Q651 S652 R658 T659	Q651-N655 HydrophobicContact CB-CB 4.44Å; S652-N655 PolarHBondContact O-N 2.91Å; S652-N655 WeakPolarHBondContact OG-CB 3.39Å; S652-N655 PolarHBondContact OG-ND2 3.41Å; N655-R658 PolarHBondContact OD1-NH1 3.23Å; N655-T659 WeakPolarHBondContact O-CB 3.34Å; N655-T659 PolarHBondContact O-N 2.89Å; N655-T659 PolarHBondContact O-OG1 3.43Å
656	F	91.6	Very high	89.7	Confident	1 Å²	1	62.2 Å²	62.2	0%	0.004	32%	0.32	C	S	.	.	H	α-helix	trans	-59.6	-51.7	175.6	-176.4	-83	0	0	0	111	W614 L635 Y638 S652 R653 L660	W614-F656 HydrophobicContact CB-CB 3.96Å; W614-F656 HydrophobicContact CB-CD2 3.99Å; W614-F656 HydrophobicContact CB-CG 3.94Å; L635-F656 HydrophobicContact CD1-CZ 4.48Å; Y638-F656 HydrophobicContact CD1-CE1 4.47Å; Y638-F656 AromaticContact CD1-CE2 3.9Å; Y638-F656 HydrophobicContact CD1-CE2 3.9Å; Y638-F656 AromaticContact CD1-CZ 3.76Å; Y638-F656 HydrophobicContact CD1-CZ 3.76Å; Y638-F656 HydrophobicContact CE1-CD1 4.38Å; Y638-F656 AromaticContact CE1-CD2 3.83Å; Y638-F656 HydrophobicContact CE1-CD2 3.83Å; Y638-F656 HydrophobicContact CE1-CE1 4.01Å; Y638-F656 AromaticContact CE1-CE2 3.44Å; Y638-F656 HydrophobicContact CE1-CE2 3.44Å; Y638-F656 VanDerWaalsContact CE1-CE2 3.44Å; Y638-F656 HydrophobicContact CE1-CG 4.29Å; Y638-F656 AromaticContact CE1-CZ 3.53Å; Y638-F656 HydrophobicContact CE1-CZ 3.53Å; Y638-F656 PolarHBondContact OH-O 2.9Å; S652-F656 WeakPolarHBondContact O-CB 3.38Å; S652-F656 PolarHBondContact O-N 2.95Å; R653-F656 PolarHBondContact O-N 3.47Å; F656-L660 HydrophobicContact CE1-CD2 4.28Å; F656-L660 VanDerWaalsContact O-CB 3.26Å; F656-L660 WeakPolarHBondContact O-CB 3.46Å; F656-L660 PolarHBondContact O-N 3.07Å
657	T	89.8	Confident	89.8	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.012	29%	0.293	C	S	.	.	H	α-helix	trans	-66	-42.7	-179.7	-57.3	0	0	0	0	111.9	R653 E654 L660 R661 F679 P688	R653-T657 PolarHBondContact O-N 3.25Å; R653-T657 PolarHBondContact O-OG1 3.47Å; E654-T657 PolarHBondContact O-N 3.38Å; T657-L660 PolarHBondContact O-N 3.29Å; T657-R661 WeakPolarHBondContact O-CB 3.35Å; T657-R661 PolarHBondContact O-N 2.97Å; T657-F679 HydrophobicContact CG2-CE1 4.34Å; T657-P688 WeakPolarHBondContact CG2-O 3.4Å
658	R	90	Very high	89.6	Confident	96 Å²	96	58.4 Å²	58.4	36%	0.362	31%	0.305	S	S	.	.	H	α-helix	trans	-62.7	-47.1	-178.9	-172.3	-179.9	-58.4	119.4	1.4	111.7	E654 N655 R661 H662 E687	E654-R658 WeakPolarHBondContact O-CB 3.35Å; E654-R658 PolarHBondContact O-N 3.44Å; N655-R658 PolarHBondContact OD1-NH1 3.23Å; R658-R661 PolarHBondContact O-N 3.49Å; R658-H662 WeakPolarHBondContact O-CB 3.3Å; R658-H662 PolarHBondContact O-N 3.49Å; R658-E687 IonicContact CZ-OE1 3.27Å; R658-E687 IonicContact NE-OE1 3.18Å; R658-E687 PolarHBondContact NE-OE1 2.86Å; R658-E687 VanDerWaalsContact NE-OE1 3.09Å; R658-E687 IonicContact NH2-OE1 3.36Å; R658-E687 PolarHBondContact NH2-OE1 3.49Å
659	T	92.4	Very high	89.6	Confident	27 Å²	27	58.8 Å²	58.8	17%	0.166	30%	0.299	C	S	.	.	H	α-helix	trans	-65.2	-40.6	177.6	-57	0	0	0	0	111.1	Y638 Y641 L642 N655 S663 F664	Y638-T659 HydrophobicContact CE2-CG2 4.22Å; Y638-T659 VanDerWaalsContact OH-CB 3.26Å; Y638-T659 WeakPolarHBondContact OH-CB 3.46Å; Y638-T659 WeakPolarHBondContact OH-CG2 3.47Å; Y641-T659 HydrophobicContact CE1-CG2 4.5Å; L642-T659 HydrophobicContact CD2-CG2 4.04Å; N655-T659 WeakPolarHBondContact O-CB 3.34Å; N655-T659 PolarHBondContact O-N 2.89Å; N655-T659 PolarHBondContact O-OG1 3.43Å; T659-S663 WeakPolarHBondContact O-CA 3.23Å; T659-S663 VanDerWaalsContact O-CB 3.25Å; T659-S663 WeakPolarHBondContact O-CB 3.48Å; T659-S663 PolarHBondContact O-N 3.19Å; T659-F664 PolarHBondContact O-N 2.84Å
660	L	92.8	Very high	89.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.29	C	S	.	.	I	π-helix	trans	-58.8	-51.3	175.7	179.2	66	0	0	0	111.4	W634 Y638 F656 T657 F664 L665 I677 F679 V690	W634-L660 HydrophobicContact CE3-CD1 4.04Å; W634-L660 HydrophobicContact CH2-CD2 4.37Å; W634-L660 HydrophobicContact CZ3-CD1 3.93Å; W634-L660 HydrophobicContact CZ3-CD2 3.87Å; Y638-L660 HydrophobicContact CD1-CD1 4.21Å; Y638-L660 HydrophobicContact CD2-CD1 3.93Å; Y638-L660 HydrophobicContact CE1-CB 4.32Å; Y638-L660 HydrophobicContact CE1-CD1 4.37Å; Y638-L660 HydrophobicContact CE2-CB 4.18Å; Y638-L660 HydrophobicContact CE2-CD1 4.14Å; Y638-L660 HydrophobicContact CG-CD1 3.97Å; Y638-L660 PolarHBondContact OH-N 3.31Å; F656-L660 HydrophobicContact CE1-CD2 4.28Å; F656-L660 VanDerWaalsContact O-CB 3.26Å; F656-L660 WeakPolarHBondContact O-CB 3.46Å; F656-L660 PolarHBondContact O-N 3.07Å; T657-L660 PolarHBondContact O-N 3.29Å; L660-F664 HydrophobicContact CD1-CD1 3.73Å; L660-F664 HydrophobicContact CD1-CE1 4.31Å; L660-F664 HydrophobicContact CD1-CG 4.47Å; L660-L665 VanDerWaalsContact O-CG 3.32Å; L660-L665 WeakPolarHBondContact O-CG 3.3Å; L660-L665 PolarHBondContact O-N 3.38Å; L660-I677 HydrophobicContact CD1-CD1 4.23Å; L660-I677 HydrophobicContact CD2-CD1 4.22Å; L660-F679 HydrophobicContact CD2-CE1 4.18Å; L660-F679 HydrophobicContact CD2-CZ 4.1Å; L660-F679 HydrophobicContact CG-CZ 4.45Å; L660-V690 HydrophobicContact CD2-CG2 4.34Å
661	R	91.7	Very high	89.9	Confident	98 Å²	98	56.9 Å²	56.9	37%	0.37	29%	0.287	S	S	.	.	I	π-helix	trans	-75.8	-45.9	-173.8	-170	179.5	-179.3	-177.3	3.4	113.3	T657 R658	T657-R661 WeakPolarHBondContact O-CB 3.35Å; T657-R661 PolarHBondContact O-N 2.97Å; R658-R661 PolarHBondContact O-N 3.49Å
662	H	91.2	Very high	89.6	Confident	103 Å²	103	56.2 Å²	56.2	48%	0.477	28%	0.283	S	S	.	.	I	π-helix	trans	-96	-19.1	-169.7	-66.4	-70.7	0	0	0	114	R658	R658-H662 WeakPolarHBondContact O-CB 3.3Å; R658-H662 PolarHBondContact O-N 3.49Å
663	S	92.5	Very high	89.6	Confident	51 Å²	51	53.6 Å²	53.6	36%	0.357	26%	0.264	S	S	.	.	I	π-helix	trans	-111.3	-60.9	178.8	-53.8	0	0	0	0	112	T659	T659-S663 WeakPolarHBondContact O-CA 3.23Å; T659-S663 VanDerWaalsContact O-CB 3.25Å; T659-S663 WeakPolarHBondContact O-CB 3.48Å; T659-S663 PolarHBondContact O-N 3.19Å
664	F	93.7	Very high	89.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.268	C	S	.	.	I	π-helix	trans	-65.5	-54	-173.2	175.4	-102.9	0	0	0	112.5	A637 Y638 Y641 T659 L660 H666 E667 F670 F673	A637-F664 HydrophobicContact CB-CE2 4.4Å; A637-F664 HydrophobicContact CB-CZ 4.02Å; Y638-F664 HydrophobicContact CD2-CB 3.72Å; Y638-F664 AromaticContact CD2-CD1 3.98Å; Y638-F664 HydrophobicContact CD2-CD1 3.98Å; Y638-F664 AromaticContact CD2-CD2 3.75Å; Y638-F664 HydrophobicContact CD2-CD2 3.75Å; Y638-F664 HydrophobicContact CD2-CE2 4.28Å; Y638-F664 AromaticContact CD2-CG 3.56Å; Y638-F664 HydrophobicContact CD2-CG 3.56Å; Y638-F664 HydrophobicContact CE2-CB 3.81Å; Y638-F664 HydrophobicContact CE2-CG 4.18Å; Y641-F664 HydrophobicContact CD1-CB 4.38Å; Y641-F664 AromaticContact CD1-CD2 3.95Å; Y641-F664 HydrophobicContact CD1-CD2 3.95Å; Y641-F664 HydrophobicContact CD2-CD2 4.18Å; Y641-F664 HydrophobicContact CE1-CB 4.15Å; Y641-F664 HydrophobicContact CE1-CD2 4.4Å; Y641-F664 AromaticContact CG-CD2 3.79Å; Y641-F664 HydrophobicContact CG-CD2 3.79Å; Y641-F664 HydrophobicContact CG-CE2 4.38Å; T659-F664 PolarHBondContact O-N 2.84Å; L660-F664 HydrophobicContact CD1-CD1 3.73Å; L660-F664 HydrophobicContact CD1-CE1 4.31Å; L660-F664 HydrophobicContact CD1-CG 4.47Å; F664-H666 PolarHBondContact O-N 3.02Å; F664-E667 PolarHBondContact O-N 3.47Å; F664-E667 VanDerWaalsContact O-N 3.15Å; F664-F670 HydrophobicContact CD1-CB 4.19Å; F664-F670 HydrophobicContact CD2-CB 3.99Å; F664-F670 HydrophobicContact CD2-CD1 4.29Å; F664-F670 AromaticContact CD2-CD2 3.53Å; F664-F670 HydrophobicContact CD2-CD2 3.53Å; F664-F670 HydrophobicContact CD2-CE2 4.07Å; F664-F670 AromaticContact CD2-CG 3.67Å; F664-F670 HydrophobicContact CD2-CG 3.67Å; F664-F670 HydrophobicContact CE1-CB 3.9Å; F664-F670 HydrophobicContact CE1-CG 4.31Å; F664-F670 HydrophobicContact CE2-CB 3.69Å; F664-F670 AromaticContact CE2-CD1 3.38Å; F664-F670 HydrophobicContact CE2-CD1 3.38Å; F664-F670 AromaticContact CE2-CD2 3.45Å; F664-F670 HydrophobicContact CE2-CD2 3.45Å; F664-F670 VanDerWaalsContact CE2-CD2 3.45Å; F664-F670 AromaticContact CE2-CE1 3.79Å; F664-F670 HydrophobicContact CE2-CE1 3.79Å; F664-F670 AromaticContact CE2-CE2 3.88Å; F664-F670 HydrophobicContact CE2-CE2 3.88Å; F664-F670 AromaticContact CE2-CG 3.19Å; F664-F670 HydrophobicContact CE2-CG 3.19Å; F664-F670 HydrophobicContact CE2-CZ 4.03Å; F664-F670 HydrophobicContact CG-CB 4.25Å; F664-F670 HydrophobicContact CG-CD2 4.42Å; F664-F670 HydrophobicContact CG-CG 4.42Å; F664-F670 HydrophobicContact CZ-CB 3.64Å; F664-F670 AromaticContact CZ-CD1 3.58Å; F664-F670 HydrophobicContact CZ-CD1 3.58Å; F664-F670 HydrophobicContact CZ-CD2 4.27Å; F664-F670 HydrophobicContact CZ-CE1 4.3Å; F664-F670 AromaticContact CZ-CG 3.57Å; F664-F670 HydrophobicContact CZ-CG 3.57Å; F664-F670 WeakPolarHBondContact O-CB 3.4Å; F664-F673 HydrophobicContact CE1-CB 4.45Å; F664-F673 AromaticContact CE1-CD2 3.99Å; F664-F673 HydrophobicContact CE1-CD2 3.99Å; F664-F673 AromaticContact CZ-CD2 3.85Å; F664-F673 HydrophobicContact CZ-CD2 3.85Å; F664-F673 HydrophobicContact CZ-CE2 4.28Å
665	L	92.1	Very high	89.6	Confident	20 Å²	20	49.1 Å²	49.1	11%	0.105	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-13.6	-176.8	-68.3	179.7	0	0	0	114.5	L660 A671 F673 A674 F679	L660-L665 VanDerWaalsContact O-CG 3.32Å; L660-L665 WeakPolarHBondContact O-CG 3.3Å; L660-L665 PolarHBondContact O-N 3.38Å; L665-A671 WeakPolarHBondContact O-CA 3.3Å; L665-F673 HydrophobicContact CD2-CB 3.96Å; L665-A674 HydrophobicContact CD1-CB 4.35Å; L665-A674 HydrophobicContact CD2-CB 4.25Å; L665-F679 HydrophobicContact CD1-CE2 4.01Å; L665-F679 HydrophobicContact CD1-CZ 4.07Å
666	H	90.9	Very high	89.5	Confident	146 Å²	146	45.7 Å²	45.7	68%	0.676	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-14.8	175.6	-93.2	-74.4	0	0	0	113.4	F664	F664-H666 PolarHBondContact O-N 3.02Å
667	E	90.3	Very high	89.5	Confident	57 Å²	57	46.1 Å²	46.1	27%	0.266	24%	0.238	S	C	.	.	S	Bend	trans	-77.6	132.1	178.5	-161.3	160.7	-179.3	0	0	110	Y641 R645 F664 Q669 F670 A671	Y641-E667 WeakPolarHBondContact CE2-OE2 3.42Å; R645-E667 IonicContact NH2-OE2 3.23Å; R645-E667 PolarHBondContact NH2-OE2 3.48Å; F664-E667 PolarHBondContact O-N 3.47Å; F664-E667 VanDerWaalsContact O-N 3.15Å; E667-Q669 PolarHBondContact O-N 2.81Å; E667-F670 HydrophobicContact CB-CD2 4.05Å; E667-F670 HydrophobicContact CG-CD2 4.4Å; E667-F670 PolarHBondContact O-N 2.9Å; E667-A671 PolarHBondContact O-N 2.93Å
668	P	85.4	Confident	89.6	Confident	98 Å²	98	47.3 Å²	47.3	64%	0.636	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-27.5	-171.1	22.1	-34	0	0	0	113.5	F670	P668-F670 VanDerWaalsContact C-N 3.32Å; P668-F670 PolarHBondContact O-N 2.9Å
669	Q	86	Confident	89.6	Confident	83 Å²	83	45.4 Å²	45.4	39%	0.388	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-32.2	176.8	-58.6	-176.2	-0.4	0	0	112.4	E667 H672	E667-Q669 PolarHBondContact O-N 2.81Å; Q669-H672 PolarHBondContact O-CE1 3.37Å; Q669-H672 PolarHBondContact O-ND1 3.3Å; Q669-H672 VanDerWaalsContact O-ND1 3.12Å
670	F	89.4	Confident	89.4	Confident	33 Å²	33	46.1 Å²	46.1	15%	0.145	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-8.9	-172.6	-56.4	-57.2	0	0	0	114	A637 Y641 F664 E667 P668 H672 F673	A637-F670 HydrophobicContact CB-CD1 4.44Å; A637-F670 HydrophobicContact CB-CE1 4.26Å; Y641-F670 HydrophobicContact CD2-CD2 4.42Å; Y641-F670 AromaticContact CD2-CE2 3.75Å; Y641-F670 HydrophobicContact CD2-CE2 3.75Å; Y641-F670 HydrophobicContact CD2-CZ 4.44Å; Y641-F670 HydrophobicContact CE2-CE2 4.24Å; F664-F670 HydrophobicContact CD1-CB 4.19Å; F664-F670 HydrophobicContact CD2-CB 3.99Å; F664-F670 HydrophobicContact CD2-CD1 4.29Å; F664-F670 AromaticContact CD2-CD2 3.53Å; F664-F670 HydrophobicContact CD2-CD2 3.53Å; F664-F670 HydrophobicContact CD2-CE2 4.07Å; F664-F670 AromaticContact CD2-CG 3.67Å; F664-F670 HydrophobicContact CD2-CG 3.67Å; F664-F670 HydrophobicContact CE1-CB 3.9Å; F664-F670 HydrophobicContact CE1-CG 4.31Å; F664-F670 HydrophobicContact CE2-CB 3.69Å; F664-F670 AromaticContact CE2-CD1 3.38Å; F664-F670 HydrophobicContact CE2-CD1 3.38Å; F664-F670 AromaticContact CE2-CD2 3.45Å; F664-F670 HydrophobicContact CE2-CD2 3.45Å; F664-F670 VanDerWaalsContact CE2-CD2 3.45Å; F664-F670 AromaticContact CE2-CE1 3.79Å; F664-F670 HydrophobicContact CE2-CE1 3.79Å; F664-F670 AromaticContact CE2-CE2 3.88Å; F664-F670 HydrophobicContact CE2-CE2 3.88Å; F664-F670 AromaticContact CE2-CG 3.19Å; F664-F670 HydrophobicContact CE2-CG 3.19Å; F664-F670 HydrophobicContact CE2-CZ 4.03Å; F664-F670 HydrophobicContact CG-CB 4.25Å; F664-F670 HydrophobicContact CG-CD2 4.42Å; F664-F670 HydrophobicContact CG-CG 4.42Å; F664-F670 HydrophobicContact CZ-CB 3.64Å; F664-F670 AromaticContact CZ-CD1 3.58Å; F664-F670 HydrophobicContact CZ-CD1 3.58Å; F664-F670 HydrophobicContact CZ-CD2 4.27Å; F664-F670 HydrophobicContact CZ-CE1 4.3Å; F664-F670 AromaticContact CZ-CG 3.57Å; F664-F670 HydrophobicContact CZ-CG 3.57Å; F664-F670 WeakPolarHBondContact O-CB 3.4Å; E667-F670 HydrophobicContact CB-CD2 4.05Å; E667-F670 HydrophobicContact CG-CD2 4.4Å; E667-F670 PolarHBondContact O-N 2.9Å; P668-F670 VanDerWaalsContact C-N 3.32Å; P668-F670 PolarHBondContact O-N 2.9Å; F670-H672 PolarHBondContact O-N 3.09Å; F670-F673 HydrophobicContact CB-CD2 4.27Å; F670-F673 HydrophobicContact CD1-CD2 4.31Å; F670-F673 HydrophobicContact CD1-CE2 4.1Å; F670-F673 WeakPolarHBondContact O-CB 3.21Å; F670-F673 PolarHBondContact O-N 2.94Å
671	A	85.8	Confident	88.9	Confident	41 Å²	41	54.4 Å²	54.4	34%	0.339	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-53.7	-31.2	-177.5	0	0	0	0	0	114.2	L665 E667 F673 A674	L665-A671 WeakPolarHBondContact O-CA 3.3Å; E667-A671 PolarHBondContact O-N 2.93Å; A671-F673 PolarHBondContact O-N 3.46Å; A671-A674 VanDerWaalsContact O-CB 3.27Å; A671-A674 WeakPolarHBondContact O-CB 3.47Å; A671-A674 PolarHBondContact O-N 3.27Å; A671-A674 VanDerWaalsContact O-N 3.13Å
672	H	83.3	Confident	87.9	Confident	19 Å²	19	56.8 Å²	56.8	9%	0.088	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-62.8	-24	177.7	69.5	-79.7	0	0	0	113.9	H111 Q669 F670 A674	H111-H672 HydrophobicContact CB-CB 4.15Å; Q669-H672 PolarHBondContact O-CE1 3.37Å; Q669-H672 PolarHBondContact O-ND1 3.3Å; Q669-H672 VanDerWaalsContact O-ND1 3.12Å; F670-H672 PolarHBondContact O-N 3.09Å; H672-A674 PolarHBondContact O-N 3.26Å
673	F	88.8	Confident	87	Confident	9 Å²	9	53.9 Å²	53.9	4%	0.039	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-73	-10.6	176.6	-69.7	-55.1	0	0	0	113.6	I632 W634 A637 F664 L665 F670 A671 D675 D676	I632-F673 HydrophobicContact CG2-CE1 3.84Å; I632-F673 HydrophobicContact CG2-CZ 4.28Å; W634-F673 HydrophobicContact CB-CB 3.78Å; W634-F673 HydrophobicContact CB-CD1 3.51Å; W634-F673 HydrophobicContact CB-CD2 4.2Å; W634-F673 HydrophobicContact CB-CE1 4.08Å; W634-F673 HydrophobicContact CB-CG 3.58Å; A637-F673 HydrophobicContact CB-CE2 3.76Å; A637-F673 HydrophobicContact CB-CZ 4.18Å; F664-F673 HydrophobicContact CE1-CB 4.45Å; F664-F673 AromaticContact CE1-CD2 3.99Å; F664-F673 HydrophobicContact CE1-CD2 3.99Å; F664-F673 AromaticContact CZ-CD2 3.85Å; F664-F673 HydrophobicContact CZ-CD2 3.85Å; F664-F673 HydrophobicContact CZ-CE2 4.28Å; L665-F673 HydrophobicContact CD2-CB 3.96Å; F670-F673 HydrophobicContact CB-CD2 4.27Å; F670-F673 HydrophobicContact CD1-CD2 4.31Å; F670-F673 HydrophobicContact CD1-CE2 4.1Å; F670-F673 WeakPolarHBondContact O-CB 3.21Å; F670-F673 PolarHBondContact O-N 2.94Å; A671-F673 PolarHBondContact O-N 3.46Å; F673-D675 PolarHBondContact O-N 2.91Å; F673-D676 WeakPolarHBondContact CD1-OD2 3.43Å; F673-D676 WeakPolarHBondContact O-CB 3.48Å; F673-D676 PolarHBondContact O-N 3.42Å
674	A	87.9	Confident	85.8	Confident	44 Å²	44	61.6 Å²	61.6	36%	0.364	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-60.3	-31.7	176.2	0	0	0	0	0	111.9	L665 A671 H672 D676	L665-A674 HydrophobicContact CD1-CB 4.35Å; L665-A674 HydrophobicContact CD2-CB 4.25Å; A671-A674 VanDerWaalsContact O-CB 3.27Å; A671-A674 WeakPolarHBondContact O-CB 3.47Å; A671-A674 PolarHBondContact O-N 3.27Å; A671-A674 VanDerWaalsContact O-N 3.13Å; H672-A674 PolarHBondContact O-N 3.26Å; A674-D676 PolarHBondContact O-N 3.29Å
675	D	85.8	Confident	84.7	Confident	30 Å²	30	65.8 Å²	65.8	16%	0.16	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-69.8	-18.2	176.2	-79.8	-0.5	0	0	0	113.1	R108 K110 H111 F673 R694	R108-D675 WeakPolarHBondContact O-CB 3.25Å; K110-D675 PolarHBondContact N-OD2 3.34Å; H111-D675 IonicContact CE1-OD2 2.76Å; H111-D675 IonicContact CG-OD2 3.09Å; H111-D675 PolarHBondContact N-OD2 2.99Å; H111-D675 IonicContact ND1-OD1 3.52Å; H111-D675 IonicContact ND1-OD2 2.78Å; H111-D675 PolarHBondContact ND1-OD2 2.98Å; F673-D675 PolarHBondContact O-N 2.91Å; D675-R694 PolarHBondContact O-NH2 2.92Å
676	D	88.6	Confident	84.1	Confident	2 Å²	2	69.9 Å²	69.9	1%	0.011	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-96	-5.1	-175.1	-63	-28.9	0	0	0	113.3	F673 A674 S693 R694	F673-D676 WeakPolarHBondContact CD1-OD2 3.43Å; F673-D676 WeakPolarHBondContact O-CB 3.48Å; F673-D676 PolarHBondContact O-N 3.42Å; A674-D676 PolarHBondContact O-N 3.29Å; D676-S693 CarbonylContact O-C 3.18Å; D676-S693 VanDerWaalsContact O-CA 3.24Å; D676-S693 WeakPolarHBondContact O-CA 3.46Å; D676-R694 HydrophobicContact CB-CG 3.91Å; D676-R694 PolarHBondContact O-N 3.35Å; D676-R694 IonicContact OD1-CZ 3.25Å; D676-R694 IonicContact OD1-NE 3.62Å; D676-R694 PolarHBondContact OD1-NE 3.28Å; D676-R694 IonicContact OD1-NH2 2.61Å; D676-R694 PolarHBondContact OD1-NH2 3.39Å
677	I	91.6	Very high	83.6	Confident	9 Å²	9	64.9 Å²	64.9	5%	0.046	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.3	-173.9	-51.3	174.6	0	0	0	109.9	W634 L660 F679 V690	W634-I677 HydrophobicContact CB-CD1 4.35Å; W634-I677 HydrophobicContact CD2-CD1 3.48Å; W634-I677 VanDerWaalsContact CD2-CD1 3.48Å; W634-I677 HydrophobicContact CD2-CG1 3.88Å; W634-I677 HydrophobicContact CE3-CD1 3.53Å; W634-I677 HydrophobicContact CE3-CG1 4.4Å; W634-I677 HydrophobicContact CG-CD1 3.87Å; W634-I677 HydrophobicContact CG-CG1 4.02Å; W634-I677 HydrophobicContact CH2-CD1 4.42Å; W634-I677 HydrophobicContact CZ2-CD1 4.4Å; W634-I677 HydrophobicContact CZ2-CG1 4.46Å; W634-I677 HydrophobicContact CZ3-CD1 4.02Å; L660-I677 HydrophobicContact CD1-CD1 4.23Å; L660-I677 HydrophobicContact CD2-CD1 4.22Å; I677-F679 HydrophobicContact CB-CE2 4.17Å; I677-F679 HydrophobicContact CB-CZ 4.33Å; I677-F679 HydrophobicContact CG2-CD2 4.32Å; I677-F679 HydrophobicContact CG2-CE1 4.01Å; I677-F679 HydrophobicContact CG2-CE2 3.77Å; I677-F679 HydrophobicContact CG2-CZ 3.6Å; I677-V690 HydrophobicContact CG2-CB 4.47Å; I677-V690 HydrophobicContact CG2-CG1 3.75Å; I677-V690 HydrophobicContact CG2-CG2 4.02Å
678	I	90.9	Very high	83.3	Confident	27 Å²	27	62.5 Å²	62.5	14%	0.138	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118.9	175.6	-55.3	-178.5	0	0	0	108.8	L103 F104 V690 A691 A692	L103-I678 HydrophobicContact CB-CD1 4.31Å; L103-I678 WeakPolarHBondContact O-CD1 3.44Å; F104-I678 HydrophobicContact CD1-CD1 4.23Å; F104-I678 HydrophobicContact CE1-CD1 3.85Å; F104-I678 HydrophobicContact CE1-CG1 3.82Å; F104-I678 HydrophobicContact CE2-CD1 4.32Å; F104-I678 HydrophobicContact CZ-CD1 3.89Å; F104-I678 HydrophobicContact CZ-CG1 4.05Å; I678-V690 CarbonylContact O-C 3.51Å; I678-A691 PolarHBondContact O-N 2.89Å; I678-A692 HydrophobicContact CB-CB 4.3Å; I678-A692 HydrophobicContact CD1-CB 4.19Å; I678-A692 HydrophobicContact CG1-CB 4.49Å; I678-A692 PolarHBondContact N-O 3.07Å; I678-A692 PolarHBondContact O-N 3.05Å
679	F	90.8	Very high	83.2	Confident	56 Å²	56	58.5 Å²	58.5	25%	0.246	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	134.7	174	-61.8	-80.7	0	0	0	110.3	T657 L660 L665 I677 P688 D689 V690	T657-F679 HydrophobicContact CG2-CE1 4.34Å; L660-F679 HydrophobicContact CD2-CE1 4.18Å; L660-F679 HydrophobicContact CD2-CZ 4.1Å; L660-F679 HydrophobicContact CG-CZ 4.45Å; L665-F679 HydrophobicContact CD1-CE2 4.01Å; L665-F679 HydrophobicContact CD1-CZ 4.07Å; I677-F679 HydrophobicContact CB-CE2 4.17Å; I677-F679 HydrophobicContact CB-CZ 4.33Å; I677-F679 HydrophobicContact CG2-CD2 4.32Å; I677-F679 HydrophobicContact CG2-CE1 4.01Å; I677-F679 HydrophobicContact CG2-CE2 3.77Å; I677-F679 HydrophobicContact CG2-CZ 3.6Å; F679-P688 HydrophobicContact CB-CB 4.17Å; F679-P688 HydrophobicContact CB-CG 4.34Å; F679-D689 CarbonylContact C-O 3.54Å; F679-D689 VanDerWaalsContact CA-O 3.32Å; F679-D689 WeakPolarHBondContact CA-O 3.27Å; F679-V690 HydrophobicContact CD1-CG2 4.21Å; F679-V690 HydrophobicContact CE1-CG2 3.88Å
680	A	87.2	Confident	83.4	Confident	43 Å²	43	54.9 Å²	54.9	36%	0.355	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132	171.4	0	0	0	0	0	110.8	P688 D689 A691	A680-P688 CarbonylContact O-C 3.5Å; A680-P688 VanDerWaalsContact O-CA 3.26Å; A680-P688 WeakPolarHBondContact O-CA 3.35Å; A680-P688 VanDerWaalsContact O-CB 3.24Å; A680-P688 WeakPolarHBondContact O-CB 3.4Å; A680-D689 PolarHBondContact N-O 3.48Å; A680-D689 PolarHBondContact O-N 2.84Å; A680-A691 HydrophobicContact CB-CB 3.6Å
681	E	84.2	Confident	83.4	Confident	173 Å²	173	54.6 Å²	54.6	81%	0.808	31%	0.313	S	S	*	.			trans	-78.2	136.2	176.7	-62.4	-178.2	174.2	0	0	110.3	P688	E681-P688 HydrophobicContact CG-CB 4.48Å
682	R	69.9	Low	83.7	Confident	148 Å²	148	52.8 Å²	52.8	56%	0.558	30%	0.298	S	S	*	.			trans	-105.4	-26.6	-174	-147.5	-179.1	-161.3	149.5	8.5	113.6	E686 D689	R682-E686 WeakPolarHBondContact CD-OE2 3.37Å; R682-D689 IonicContact CZ-OD2 3.37Å; R682-D689 VanDerWaalsContact CZ-OD2 3.23Å; R682-D689 IonicContact NE-OD2 3.97Å; R682-D689 IonicContact NH1-OD1 2.7Å; R682-D689 IonicContact NH1-OD2 3.94Å; R682-D689 PolarHBondContact NH1-OD2 2.94Å; R682-D689 IonicContact NH2-OD2 2.66Å
683	G	72.6	Confident	84.2	Confident	42 Å²	42	51.9 Å²	51.9	43%	0.433	29%	0.294	S	S	.	.	S	Bend	trans	175.1	168	179	0	0	0	0	0	111.7	G685 E686	G683-G685 PolarHBondContact O-N 3.43Å; G683-G685 VanDerWaalsContact O-N 3.1Å; G683-E686 PolarHBondContact O-N 2.86Å
684	Q	66.7	Low	84.3	Confident	213 Å²	213	51.5 Å²	51.5	100%	0.995	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	112.1	176.4	-86.5	179.4	-23	0	0	110.5
685	G	71.7	Confident	84.4	Confident	88 Å²	88	49.9 Å²	49.9	91%	0.907	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.9	-5.9	174.7	0	0	0	0	0	116	G683	G683-G685 PolarHBondContact O-N 3.43Å; G683-G685 VanDerWaalsContact O-N 3.1Å
686	E	78	Confident	84.6	Confident	106 Å²	106	48.6 Å²	48.6	50%	0.495	27%	0.27	S	S	.	.	S	Bend	trans	-88.9	140.9	172.1	-67	-166.8	167.5	0	0	111.4	R682 G683	R682-E686 WeakPolarHBondContact CD-OE2 3.37Å; G683-E686 PolarHBondContact O-N 2.86Å
687	E	80.1	Confident	84.7	Confident	42 Å²	42	48.5 Å²	48.5	20%	0.196	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-61.6	135.1	171.2	-71.9	-75.1	-176.7	0	0	109.7	E654 R658	E654-E687 HydrophobicContact CB-CG 4.44Å; E654-E687 HydrophobicContact CG-CG 4.43Å; R658-E687 IonicContact CZ-OE1 3.27Å; R658-E687 IonicContact NE-OE1 3.18Å; R658-E687 PolarHBondContact NE-OE1 2.86Å; R658-E687 VanDerWaalsContact NE-OE1 3.09Å; R658-E687 IonicContact NH2-OE1 3.36Å; R658-E687 PolarHBondContact NH2-OE1 3.49Å
688	P	84.1	Confident	84.5	Confident	7 Å²	7	48.3 Å²	48.3	5%	0.045	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-69.2	146.9	-176.7	29.2	-35.3	0	0	0	111.7	T657 F679 A680 E681	T657-P688 WeakPolarHBondContact CG2-O 3.4Å; F679-P688 HydrophobicContact CB-CB 4.17Å; F679-P688 HydrophobicContact CB-CG 4.34Å; A680-P688 CarbonylContact O-C 3.5Å; A680-P688 VanDerWaalsContact O-CA 3.26Å; A680-P688 WeakPolarHBondContact O-CA 3.35Å; A680-P688 VanDerWaalsContact O-CB 3.24Å; A680-P688 WeakPolarHBondContact O-CB 3.4Å; E681-P688 HydrophobicContact CG-CB 4.48Å
689	D	84	Confident	84.2	Confident	14 Å²	14	47.6 Å²	47.6	8%	0.075	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	151.4	177.2	-83.9	-11.3	0	0	0	111.1	F679 A680 R682 A691	F679-D689 CarbonylContact C-O 3.54Å; F679-D689 VanDerWaalsContact CA-O 3.32Å; F679-D689 WeakPolarHBondContact CA-O 3.27Å; A680-D689 PolarHBondContact N-O 3.48Å; A680-D689 PolarHBondContact O-N 2.84Å; R682-D689 IonicContact CZ-OD2 3.37Å; R682-D689 VanDerWaalsContact CZ-OD2 3.23Å; R682-D689 IonicContact NE-OD2 3.97Å; R682-D689 IonicContact NH1-OD1 2.7Å; R682-D689 IonicContact NH1-OD2 3.94Å; R682-D689 PolarHBondContact NH1-OD2 2.94Å; R682-D689 IonicContact NH2-OD2 2.66Å; D689-A691 PolarHBondContact O-N 3.29Å
690	V	89.5	Confident	83.8	Confident	6 Å²	6	52.7 Å²	52.7	4%	0.036	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	101.1	167.2	-179.5	0	0	0	0	108.2	S610 Y613 L660 I677 I678 F679	S610-V690 WeakPolarHBondContact CA-O 3.45Å; S610-V690 PolarHBondContact OG-O 3.39Å; Y613-V690 HydrophobicContact CD2-CB 4.14Å; Y613-V690 HydrophobicContact CD2-CG1 4.25Å; Y613-V690 HydrophobicContact CD2-CG2 4.48Å; Y613-V690 HydrophobicContact CE2-CB 3.87Å; Y613-V690 HydrophobicContact CE2-CG1 3.57Å; L660-V690 HydrophobicContact CD2-CG2 4.34Å; I677-V690 HydrophobicContact CG2-CB 4.47Å; I677-V690 HydrophobicContact CG2-CG1 3.75Å; I677-V690 HydrophobicContact CG2-CG2 4.02Å; I678-V690 CarbonylContact O-C 3.51Å; F679-V690 HydrophobicContact CD1-CG2 4.21Å; F679-V690 HydrophobicContact CE1-CG2 3.88Å
691	A	90.3	Very high	83.1	Confident	28 Å²	28	51.6 Å²	51.6	23%	0.231	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	-39.6	-178.2	0	0	0	0	0	112.7	E609 S610 I678 A680 D689	E609-A691 CarbonylContact C-O 3.45Å; S610-A691 PolarHBondContact N-O 3.4Å; I678-A691 PolarHBondContact O-N 2.89Å; A680-A691 HydrophobicContact CB-CB 3.6Å; D689-A691 PolarHBondContact O-N 3.29Å
692	A	92.1	Very high	82.4	Confident	3 Å²	3	47.5 Å²	47.5	3%	0.025	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	151.7	175.5	0	0	0	0	0	109.6	F104 I607 I678	F104-A692 HydrophobicContact CE2-CB 4.47Å; F104-A692 HydrophobicContact CZ-CB 4.36Å; I607-A692 CarbonylContact O-C 3.58Å; I607-A692 WeakPolarHBondContact O-CA 3.38Å; I607-A692 WeakPolarHBondContact O-CB 3.48Å; I678-A692 HydrophobicContact CB-CB 4.3Å; I678-A692 HydrophobicContact CD1-CB 4.19Å; I678-A692 HydrophobicContact CG1-CB 4.49Å; I678-A692 PolarHBondContact N-O 3.07Å; I678-A692 PolarHBondContact O-N 3.05Å
693	S	93	Very high	81.7	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	162.9	172.3	82.1	0	0	0	0	111.2	I607 Y613 W634 D676	I607-S693 PolarHBondContact N-O 3.28Å; I607-S693 PolarHBondContact O-N 2.97Å; Y613-S693 PolarHBondContact OH-OG 2.83Å; W634-S693 PolarHBondContact NE1-OG 3.23Å; D676-S693 CarbonylContact O-C 3.18Å; D676-S693 VanDerWaalsContact O-CA 3.24Å; D676-S693 WeakPolarHBondContact O-CA 3.46Å
694	R	91.2	Very high	80.9	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	151.2	174.4	67.8	-179.9	-175.4	-155.5	-7.4	112	F104 S109 F605 Y606 D675 D676 F696	F104-R694 HydrophobicContact CD1-CG 4.25Å; F104-R694 HydrophobicContact CE1-CB 4.38Å; F104-R694 HydrophobicContact CE1-CG 3.93Å; F104-R694 HydrophobicContact CE2-CB 4.14Å; F104-R694 HydrophobicContact CZ-CB 4.02Å; F104-R694 HydrophobicContact CZ-CG 4.08Å; S109-R694 PolarHBondContact OG-NH1 3.05Å; S109-R694 PolarHBondContact OG-NH2 3.5Å; F605-R694 CarbonylContact O-C 3.52Å; F605-R694 VanDerWaalsContact O-CA 3.29Å; F605-R694 WeakPolarHBondContact O-CA 3.42Å; Y606-R694 HydrophobicContact CD1-CB 3.55Å; Y606-R694 HydrophobicContact CE1-CB 3.78Å; Y606-R694 HydrophobicContact CE1-CG 4.43Å; Y606-R694 HydrophobicContact CG-CB 4.36Å; D675-R694 PolarHBondContact O-NH2 2.92Å; D676-R694 HydrophobicContact CB-CG 3.91Å; D676-R694 PolarHBondContact O-N 3.35Å; D676-R694 IonicContact OD1-CZ 3.25Å; D676-R694 IonicContact OD1-NE 3.62Å; D676-R694 PolarHBondContact OD1-NE 3.28Å; D676-R694 IonicContact OD1-NH2 2.61Å; D676-R694 PolarHBondContact OD1-NH2 3.39Å; R694-F696 HydrophobicContact CG-CZ 4.37Å
695	I	91.3	Very high	80.7	Confident	10 Å²	10	45.7 Å²	45.7	5%	0.051	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	146.9	177.6	-62.7	168.5	0	0	0	107.3	F605 L697	F605-I695 HydrophobicContact CB-CB 4.33Å; F605-I695 WeakPolarHBondContact CB-O 3.36Å; F605-I695 PolarHBondContact N-O 3.18Å; F605-I695 PolarHBondContact O-N 3.28Å; I695-L697 HydrophobicContact CG2-CD2 4Å
696	F	89.4	Confident	80.3	Confident	3 Å²	3	45.2 Å²	45.2	1%	0.013	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.5	177.9	-55.7	-72.5	0	0	0	110.5	Y114 L117 V602 R631 I632 R694	Y114-F696 AromaticContact CD2-CD1 3.75Å; Y114-F696 HydrophobicContact CD2-CD1 3.75Å; Y114-F696 HydrophobicContact CD2-CD2 4.35Å; Y114-F696 AromaticContact CD2-CE1 3.77Å; Y114-F696 HydrophobicContact CD2-CE1 3.77Å; Y114-F696 HydrophobicContact CD2-CE2 4.36Å; Y114-F696 HydrophobicContact CD2-CG 4.03Å; Y114-F696 HydrophobicContact CD2-CZ 4.06Å; Y114-F696 HydrophobicContact CE2-CB 4.21Å; Y114-F696 AromaticContact CE2-CD1 3.64Å; Y114-F696 HydrophobicContact CE2-CD1 3.64Å; Y114-F696 AromaticContact CE2-CD2 3.42Å; Y114-F696 HydrophobicContact CE2-CD2 3.42Å; Y114-F696 VanDerWaalsContact CE2-CD2 3.42Å; Y114-F696 AromaticContact CE2-CE1 3.76Å; Y114-F696 HydrophobicContact CE2-CE1 3.76Å; Y114-F696 AromaticContact CE2-CE2 3.55Å; Y114-F696 HydrophobicContact CE2-CE2 3.55Å; Y114-F696 AromaticContact CE2-CG 3.44Å; Y114-F696 HydrophobicContact CE2-CG 3.44Å; Y114-F696 VanDerWaalsContact CE2-CG 3.44Å; Y114-F696 AromaticContact CE2-CZ 3.7Å; Y114-F696 HydrophobicContact CE2-CZ 3.7Å; L117-F696 HydrophobicContact CD2-CD1 3.72Å; L117-F696 HydrophobicContact CD2-CE1 3.36Å; V602-F696 HydrophobicContact CG1-CB 3.86Å; V602-F696 HydrophobicContact CG1-CD1 3.95Å; V602-F696 HydrophobicContact CG1-CG 4.27Å; R631-F696 VanDerWaalsContact CA-O 3.26Å; R631-F696 WeakPolarHBondContact CA-O 3.23Å; I632-F696 HydrophobicContact CB-CB 4.38Å; I632-F696 HydrophobicContact CB-CD2 4.47Å; I632-F696 HydrophobicContact CG2-CD2 4.36Å; I632-F696 PolarHBondContact N-O 3.16Å; I632-F696 PolarHBondContact O-N 3.31Å; R694-F696 HydrophobicContact CG-CZ 4.37Å
697	L	89.6	Confident	79.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	141	-179.2	-57.1	-178.7	0	0	0	110.4	I603 F605 A626 F629 R631 I695	I603-L697 HydrophobicContact CB-CB 4.48Å; I603-L697 PolarHBondContact N-O 3.5Å; I603-L697 PolarHBondContact O-N 3.14Å; F605-L697 HydrophobicContact CB-CD1 3.74Å; F605-L697 HydrophobicContact CB-CG 3.94Å; F605-L697 HydrophobicContact CD2-CD1 3.61Å; F605-L697 HydrophobicContact CG-CD1 3.93Å; A626-L697 HydrophobicContact CB-CD2 3.85Å; F629-L697 HydrophobicContact CB-CB 4.32Å; F629-L697 HydrophobicContact CB-CD2 4.28Å; F629-L697 HydrophobicContact CD1-CB 4Å; F629-L697 HydrophobicContact CG-CB 4.23Å; R631-L697 HydrophobicContact CB-CD2 3.77Å; I695-L697 HydrophobicContact CG2-CD2 4Å
698	V	87.6	Confident	79.3	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.03	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	120.7	178.3	-179.4	0	0	0	0	108.7	Y223 Y599 V602 F629 Q630	Y223-V698 HydrophobicContact CD2-CG2 4.46Å; Y223-V698 HydrophobicContact CE1-CG2 4.12Å; Y223-V698 HydrophobicContact CE2-CB 4.3Å; Y223-V698 HydrophobicContact CE2-CG1 4.07Å; Y223-V698 HydrophobicContact CE2-CG2 3.88Å; Y223-V698 VanDerWaalsContact OH-CG1 3.27Å; Y223-V698 WeakPolarHBondContact OH-CG1 3.49Å; Y599-V698 HydrophobicContact CD1-CG1 3.74Å; Y599-V698 HydrophobicContact CG-CG1 4.03Å; V602-V698 HydrophobicContact CB-CG2 4.5Å; V602-V698 HydrophobicContact CG1-CG2 4.5Å; V602-V698 HydrophobicContact CG2-CG2 4.07Å; F629-V698 WeakPolarHBondContact CA-O 3.24Å; Q630-V698 HydrophobicContact CB-CB 4.22Å; Q630-V698 PolarHBondContact N-O 3.26Å; Q630-V698 PolarHBondContact O-N 3.23Å
699	A	84.8	Confident	78.8	Confident	12 Å²	12	48 Å²	48	10%	0.099	24%	0.237	C	C	.	.			trans	-86.6	142.8	175.4	0	0	0	0	0	110.4	Y599 S600 F629 L712	Y599-A699 CarbonylContact C-O 3.48Å; Y599-A699 WeakPolarHBondContact CA-O 3.42Å; S600-A699 PolarHBondContact N-O 3.01Å; S600-A699 PolarHBondContact OG-N 3.46Å; F629-A699 HydrophobicContact CD1-CB 3.97Å; F629-A699 HydrophobicContact CE1-CB 3.89Å; A699-L712 HydrophobicContact CB-CD2 3.73Å
700	K	82.3	Confident	78.3	Confident	164 Å²	164	49.3 Å²	49.3	71%	0.713	25%	0.248	S	C	*	.	B	Isolated β-bridge	trans	-80.5	124.8	167.7	-167.6	179.6	-177.7	-178.9	0	108.1	Y599	Y599-K700 HydrophobicContact CD1-CB 4.44Å; Y599-K700 HydrophobicContact CE1-CB 4.31Å; Y599-K700 HydrophobicContact CE1-CG 4.31Å
701	T	72.8	Confident	77.8	Confident	20 Å²	20	53.3 Å²	53.3	12%	0.123	27%	0.272	C	S	.	.			trans	-105.7	147.8	-174.3	51.2	0	0	0	0	111.4	S597 S598 M709	S597-T701 PolarHBondContact O-OG1 3.46Å; S598-T701 PolarHBondContact O-N 3.06Å; T701-M709 HydrophobicContact CG2-CE 4.03Å
702	T	68.9	Low	77.4	Confident	87 Å²	87	53.8 Å²	53.8	53%	0.534	27%	0.27	S	S	.	.			trans	-96.1	-162.7	173.2	85.4	0	0	0	0	111.4	N704 K705 E708	T702-N704 VanDerWaalsContact C-N 3.34Å; T702-N704 PolarHBondContact O-N 3.45Å; T702-K705 WeakPolarHBondContact O-CG 3.48Å; T702-E708 WeakPolarHBondContact CB-OE1 3.38Å; T702-E708 PolarHBondContact N-OE2 2.85Å; T702-E708 PolarHBondContact OG1-OE1 2.86Å
703	E	56.6	Low	76.9	Confident	182 Å²	182	54 Å²	54	85%	0.85	27%	0.271	S	S	*	.	S	Bend	trans	-66.5	-30.9	-178.9	-65.8	-169.5	156.8	0	0	113	K705	E703-K705 VanDerWaalsContact C-N 3.25Å; E703-K705 PolarHBondContact O-N 3.27Å; E703-K705 VanDerWaalsContact O-N 3.08Å
704	N	55.8	Low	76.4	Confident	109 Å²	109	57.7 Å²	57.7	58%	0.583	29%	0.29	S	S	*	.	S	Bend	trans	-88.6	52.9	178.6	-78.8	-1.5	0	0	0	113.2	T702 R706 E708	T702-N704 VanDerWaalsContact C-N 3.34Å; T702-N704 PolarHBondContact O-N 3.45Å; N704-R706 VanDerWaalsContact C-N 3.26Å; N704-R706 PolarHBondContact O-N 3.04Å; N704-E708 WeakPolarHBondContact O-CG 3.48Å; N704-E708 PolarHBondContact O-N 3.23Å
705	K	61.8	Low	76.2	Confident	73 Å²	73	60.7 Å²	60.7	32%	0.317	31%	0.309	S	S	.	.	H	α-helix	trans	-49.5	-33.7	-165.7	-63	162.8	-173	171.7	0	116.4	H593 S597 T702 E703 M709	H593-K705 PolarHBondContact O-NZ 3.27Å; S597-K705 VanDerWaalsContact OG-CE 3.27Å; S597-K705 WeakPolarHBondContact OG-CE 3.36Å; S597-K705 PolarHBondContact OG-NZ 2.83Å; T702-K705 WeakPolarHBondContact O-CG 3.48Å; E703-K705 VanDerWaalsContact C-N 3.25Å; E703-K705 PolarHBondContact O-N 3.27Å; E703-K705 VanDerWaalsContact O-N 3.08Å; K705-M709 PolarHBondContact O-N 3.4Å
706	R	63.6	Low	75.9	Confident	78 Å²	78	60.5 Å²	60.5	29%	0.294	31%	0.308	S	S	.	.	H	α-helix	trans	-101	-37.5	-164	-160.1	155.6	-152.9	136.7	-11.6	114.4	S573 D574 N704 E708 M709 S710 L737	S573-R706 PolarHBondContact O-NH2 3.03Å; S573-R706 WeakPolarHBondContact OG-CD 3.44Å; S573-R706 VanDerWaalsContact OG-CZ 3.3Å; S573-R706 PolarHBondContact OG-NE 2.97Å; D574-R706 IonicContact OD1-CZ 2.66Å; D574-R706 IonicContact OD1-NH1 3.3Å; D574-R706 PolarHBondContact OD1-NH1 3.18Å; D574-R706 IonicContact OD1-NH2 3.57Å; D574-R706 PolarHBondContact OD1-NH2 2.91Å; D574-R706 IonicContact OD2-NH1 3.44Å; D574-R706 PolarHBondContact OD2-NH1 3.15Å; N704-R706 VanDerWaalsContact C-N 3.26Å; N704-R706 PolarHBondContact O-N 3.04Å; R706-E708 VanDerWaalsContact C-N 3.31Å; R706-M709 PolarHBondContact O-N 2.87Å; R706-S710 PolarHBondContact O-N 3.14Å; R706-L737 HydrophobicContact CG-CD2 4.42Å
707	E	66.3	Low	75.8	Confident	131 Å²	131	62.1 Å²	62.1	61%	0.612	31%	0.314	S	S	*	.	H	α-helix	trans	-62.5	-45	168	-71	-179.9	174.4	0	0	109.4	M709 S710 V711	E707-M709 VanDerWaalsContact C-N 3.3Å; E707-M709 PolarHBondContact O-N 2.49Å; E707-S710 PolarHBondContact O-N 3.45Å; E707-S710 VanDerWaalsContact O-N 3.13Å; E707-S710 PolarHBondContact O-OG 3.39Å; E707-V711 WeakPolarHBondContact O-CB 3.32Å; E707-V711 VanDerWaalsContact O-CG2 3.3Å; E707-V711 WeakPolarHBondContact O-CG2 3.5Å; E707-V711 PolarHBondContact O-N 3.05Å
708	E	71.3	Confident	75.7	Confident	68 Å²	68	69.2 Å²	69.2	32%	0.318	34%	0.341	S	S	.	.	H	α-helix	trans	-53.9	-45	172.4	-72.7	-179.2	172.7	0	0	112.3	T702 N704 R706 V711 L712	T702-E708 WeakPolarHBondContact CB-OE1 3.38Å; T702-E708 PolarHBondContact N-OE2 2.85Å; T702-E708 PolarHBondContact OG1-OE1 2.86Å; N704-E708 WeakPolarHBondContact O-CG 3.48Å; N704-E708 PolarHBondContact O-N 3.23Å; R706-E708 VanDerWaalsContact C-N 3.31Å; E708-V711 PolarHBondContact O-N 3.4Å; E708-L712 WeakPolarHBondContact O-CB 3.23Å; E708-L712 PolarHBondContact O-N 3.49Å
709	M	72.5	Confident	75.7	Confident	14 Å²	14	71.8 Å²	71.8	7%	0.069	35%	0.354	C	S	.	.	H	α-helix	trans	-66	-40.2	178.4	-164.4	55.8	54.6	0	0	112.6	I603 T701 K705 R706 E707 L712 L713 F734 L737	I603-M709 HydrophobicContact CD1-SD 4.37Å; T701-M709 HydrophobicContact CG2-CE 4.03Å; K705-M709 PolarHBondContact O-N 3.4Å; R706-M709 PolarHBondContact O-N 2.87Å; E707-M709 VanDerWaalsContact C-N 3.3Å; E707-M709 PolarHBondContact O-N 2.49Å; M709-L712 PolarHBondContact O-N 3.41Å; M709-L712 HydrophobicContact SD-CD2 4.11Å; M709-L713 VanDerWaalsContact O-CB 3.28Å; M709-L713 WeakPolarHBondContact O-CB 3.27Å; M709-L713 PolarHBondContact O-N 2.95Å; M709-F734 HydrophobicContact SD-CE1 4.4Å; M709-L737 HydrophobicContact CG-CD1 4.16Å
710	S	73.9	Confident	75.9	Confident	43 Å²	43	72.3 Å²	72.3	30%	0.301	36%	0.357	S	S	.	.	H	α-helix	trans	-66.9	-42.1	178.2	71.2	0	0	0	0	111.9	R706 E707 L713 D714	R706-S710 PolarHBondContact O-N 3.14Å; E707-S710 PolarHBondContact O-N 3.45Å; E707-S710 VanDerWaalsContact O-N 3.13Å; E707-S710 PolarHBondContact O-OG 3.39Å; S710-L713 PolarHBondContact O-N 3.24Å; S710-D714 WeakPolarHBondContact O-CB 3.28Å; S710-D714 PolarHBondContact O-N 2.96Å
711	V	79.3	Confident	76.2	Confident	89 Å²	89	71.8 Å²	71.8	54%	0.539	36%	0.361	S	S	.	.	H	α-helix	trans	-64.4	-46.2	175.2	172.8	0	0	0	0	110	E707 E708 L713 D714 T715	E707-V711 WeakPolarHBondContact O-CB 3.32Å; E707-V711 VanDerWaalsContact O-CG2 3.3Å; E707-V711 WeakPolarHBondContact O-CG2 3.5Å; E707-V711 PolarHBondContact O-N 3.05Å; E708-V711 PolarHBondContact O-N 3.4Å; V711-L713 PolarHBondContact O-N 3.12Å; V711-D714 PolarHBondContact O-N 3.37Å; V711-T715 PolarHBondContact O-N 2.91Å; V711-T715 PolarHBondContact O-OG1 3.15Å
712	L	80.9	Confident	76.9	Confident	39 Å²	39	76.1 Å²	76.1	20%	0.204	39%	0.388	C	S	.	.	H	α-helix	trans	-57.7	-47.4	176.6	-178.2	65.2	0	0	0	111.9	I603 F629 A699 E708 M709 D714 T715 L716	I603-L712 HydrophobicContact CD1-CD2 4.15Å; F629-L712 HydrophobicContact CE1-CD1 4.23Å; F629-L712 HydrophobicContact CE1-CD2 4.14Å; F629-L712 HydrophobicContact CZ-CD1 3.82Å; A699-L712 HydrophobicContact CB-CD2 3.73Å; E708-L712 WeakPolarHBondContact O-CB 3.23Å; E708-L712 PolarHBondContact O-N 3.49Å; M709-L712 PolarHBondContact O-N 3.41Å; M709-L712 HydrophobicContact SD-CD2 4.11Å; L712-D714 VanDerWaalsContact C-N 3.33Å; L712-D714 PolarHBondContact O-N 2.83Å; L712-T715 PolarHBondContact O-N 3.31Å; L712-L716 HydrophobicContact CD1-CD1 4.11Å; L712-L716 HydrophobicContact CD1-CG 4.31Å; L712-L716 HydrophobicContact CG-CD1 3.98Å; L712-L716 WeakPolarHBondContact O-CB 3.28Å; L712-L716 VanDerWaalsContact O-CG 3.32Å; L712-L716 WeakPolarHBondContact O-CG 3.49Å; L712-L716 PolarHBondContact O-N 3.29Å
713	L	81.3	Confident	77.7	Confident	8 Å²	8	72.9 Å²	72.9	4%	0.042	37%	0.369	C	S	.	.	H	α-helix	trans	-59.1	-45.4	177.4	178.2	59.9	0	0	0	111.1	M709 S710 V711 L716 R717 I729 F734 L737	M709-L713 VanDerWaalsContact O-CB 3.28Å; M709-L713 WeakPolarHBondContact O-CB 3.27Å; M709-L713 PolarHBondContact O-N 2.95Å; S710-L713 PolarHBondContact O-N 3.24Å; V711-L713 PolarHBondContact O-N 3.12Å; L713-L716 PolarHBondContact O-N 3.18Å; L713-R717 HydrophobicContact CD1-CG 4.32Å; L713-R717 WeakPolarHBondContact O-CB 3.42Å; L713-R717 VanDerWaalsContact O-CG 3.3Å; L713-R717 WeakPolarHBondContact O-CG 3.42Å; L713-R717 PolarHBondContact O-N 3.5Å; L713-I729 HydrophobicContact CD1-CD1 3.52Å; L713-I729 HydrophobicContact CD1-CG1 4.45Å; L713-F734 HydrophobicContact CD1-CD1 4.5Å; L713-F734 HydrophobicContact CD1-CD2 3.58Å; L713-F734 HydrophobicContact CD1-CE1 4.49Å; L713-F734 HydrophobicContact CD1-CE2 3.6Å; L713-F734 HydrophobicContact CD1-CG 4.06Å; L713-F734 HydrophobicContact CD1-CZ 4.06Å; L713-F734 HydrophobicContact CD2-CB 4.26Å; L713-F734 HydrophobicContact CD2-CD1 4.21Å; L713-F734 HydrophobicContact CD2-CD2 4.42Å; L713-F734 HydrophobicContact CD2-CG 4.06Å; L713-L737 HydrophobicContact CD2-CB 4.49Å; L713-L737 HydrophobicContact CD2-CD1 4.34Å
714	D	82.9	Confident	79.1	Confident	76 Å²	76	74.2 Å²	74.2	41%	0.406	37%	0.366	S	S	.	.	H	α-helix	trans	-69.3	-35.4	179.9	-167.9	44.9	0	0	0	112.6	S710 V711 L712 R718	S710-D714 WeakPolarHBondContact O-CB 3.28Å; S710-D714 PolarHBondContact O-N 2.96Å; V711-D714 PolarHBondContact O-N 3.37Å; L712-D714 VanDerWaalsContact C-N 3.33Å; L712-D714 PolarHBondContact O-N 2.83Å; D714-R718 WeakPolarHBondContact O-CB 3.48Å; D714-R718 WeakPolarHBondContact O-CG 3.43Å; D714-R718 PolarHBondContact O-N 2.66Å; D714-R718 PolarHBondContact O-NE 3.17Å; D714-R718 IonicContact OD2-CZ 3.67Å; D714-R718 IonicContact OD2-NE 3.87Å; D714-R718 PolarHBondContact OD2-NE 3.43Å; D714-R718 IonicContact OD2-NH2 3.59Å; D714-R718 PolarHBondContact OD2-NH2 3.41Å
715	T	86.9	Confident	80.7	Confident	63 Å²	63	69.5 Å²	69.5	39%	0.387	34%	0.341	S	S	.	.	H	α-helix	trans	-65.5	-48.5	172.4	-58	0	0	0	0	111.5	V711 L712 R717 R718 L719	V711-T715 PolarHBondContact O-N 2.91Å; V711-T715 PolarHBondContact O-OG1 3.15Å; L712-T715 PolarHBondContact O-N 3.31Å; T715-R717 PolarHBondContact O-N 2.92Å; T715-R718 PolarHBondContact O-N 3.26Å; T715-L719 HydrophobicContact CG2-CD1 4.31Å; T715-L719 WeakPolarHBondContact O-CG 3.42Å; T715-L719 PolarHBondContact O-N 2.73Å
716	L	85.3	Confident	82	Confident	6 Å²	6	72.7 Å²	72.7	3%	0.031	35%	0.351	C	S	.	.	H	α-helix	trans	-66.2	-36.7	-179	-71.5	173.4	0	0	0	112.2	F629 L712 L713 L719 S720 I729	F629-L716 HydrophobicContact CZ-CD1 4.07Å; F629-L716 HydrophobicContact CZ-CD2 4.22Å; L712-L716 HydrophobicContact CD1-CD1 4.11Å; L712-L716 HydrophobicContact CD1-CG 4.31Å; L712-L716 HydrophobicContact CG-CD1 3.98Å; L712-L716 WeakPolarHBondContact O-CB 3.28Å; L712-L716 VanDerWaalsContact O-CG 3.32Å; L712-L716 WeakPolarHBondContact O-CG 3.49Å; L712-L716 PolarHBondContact O-N 3.29Å; L713-L716 PolarHBondContact O-N 3.18Å; L716-L719 HydrophobicContact CD2-CD1 4.35Å; L716-L719 PolarHBondContact O-N 3.02Å; L716-S720 PolarHBondContact O-N 3.44Å; L716-I729 HydrophobicContact CB-CD1 3.34Å; L716-I729 HydrophobicContact CB-CG1 4.17Å; L716-I729 HydrophobicContact CD1-CD1 3.77Å; L716-I729 HydrophobicContact CG-CD1 4.21Å
717	R	87.3	Confident	83.3	Confident	37 Å²	37	69.1 Å²	69.1	14%	0.14	34%	0.338	C	S	.	.	H	α-helix	trans	-66.4	-34.5	172.1	-77.9	174.9	168.9	169.8	-5.1	113	E96 L713 T715 S720 L721 D738	E96-R717 IonicContact OE2-NE 3.67Å; E96-R717 IonicContact OE2-NH2 3.88Å; E96-R717 PolarHBondContact OE2-NH2 2.93Å; L713-R717 HydrophobicContact CD1-CG 4.32Å; L713-R717 WeakPolarHBondContact O-CB 3.42Å; L713-R717 VanDerWaalsContact O-CG 3.3Å; L713-R717 WeakPolarHBondContact O-CG 3.42Å; L713-R717 PolarHBondContact O-N 3.5Å; T715-R717 PolarHBondContact O-N 2.92Å; R717-S720 PolarHBondContact O-OG 2.62Å; R717-L721 WeakPolarHBondContact O-CG 3.38Å; R717-D738 IonicContact CZ-OD1 3.45Å; R717-D738 IonicContact NH1-OD1 3.03Å; R717-D738 PolarHBondContact NH1-OD1 3.48Å; R717-D738 IonicContact NH1-OD2 3.18Å; R717-D738 IonicContact NH2-OD1 4Å; R717-D738 PolarHBondContact NH2-OD1 2.95Å; R717-D738 VanDerWaalsContact NH2-OD1 3.13Å; R717-D738 IonicContact NH2-OD2 3.53Å; R717-D738 PolarHBondContact NH2-OD2 3.49Å
718	R	87.9	Confident	84.5	Confident	149 Å²	149	63.4 Å²	63.4	56%	0.562	31%	0.312	S	S	*	.	H	α-helix	trans	-67.6	-42.6	171.7	-80.5	-174.1	-96.1	-170.8	-3.4	111.3	D714 T715 S720 L721 T722	D714-R718 WeakPolarHBondContact O-CB 3.48Å; D714-R718 WeakPolarHBondContact O-CG 3.43Å; D714-R718 PolarHBondContact O-N 2.66Å; D714-R718 PolarHBondContact O-NE 3.17Å; D714-R718 IonicContact OD2-CZ 3.67Å; D714-R718 IonicContact OD2-NE 3.87Å; D714-R718 PolarHBondContact OD2-NE 3.43Å; D714-R718 IonicContact OD2-NH2 3.59Å; D714-R718 PolarHBondContact OD2-NH2 3.41Å; T715-R718 PolarHBondContact O-N 3.26Å; R718-S720 VanDerWaalsContact C-N 3.33Å; R718-S720 PolarHBondContact O-N 2.87Å; R718-L721 PolarHBondContact O-N 3.27Å; R718-T722 PolarHBondContact O-N 2.93Å; R718-T722 PolarHBondContact O-OG1 3.13Å
719	L	87.9	Confident	85.4	Confident	59 Å²	59	60.2 Å²	60.2	31%	0.309	30%	0.297	S	S	.	.	H	α-helix	trans	-60	-43.3	176.4	-73.4	171.9	0	0	0	111.6	T715 L716 L721 T722 S723 F727	T715-L719 HydrophobicContact CG2-CD1 4.31Å; T715-L719 WeakPolarHBondContact O-CG 3.42Å; T715-L719 PolarHBondContact O-N 2.73Å; L716-L719 HydrophobicContact CD2-CD1 4.35Å; L716-L719 PolarHBondContact O-N 3.02Å; L719-L721 PolarHBondContact O-N 2.9Å; L719-L721 VanDerWaalsContact O-N 3.15Å; L719-T722 PolarHBondContact O-N 3.43Å; L719-T722 PolarHBondContact O-OG1 2.88Å; L719-T722 VanDerWaalsContact O-OG1 3.12Å; L719-S723 WeakPolarHBondContact O-CB 3.31Å; L719-S723 PolarHBondContact O-N 2.95Å; L719-S723 PolarHBondContact O-OG 3.42Å; L719-S723 VanDerWaalsContact O-OG 3.14Å; L719-F727 HydrophobicContact CB-CZ 4.06Å
720	S	88.6	Confident	86.2	Confident	24 Å²	24	60.5 Å²	60.5	17%	0.168	30%	0.298	C	S	.	.	H	α-helix	trans	-61.1	-24	179.9	68.1	0	0	0	0	114.4	L716 R717 R718 F727	L716-S720 PolarHBondContact O-N 3.44Å; R717-S720 PolarHBondContact O-OG 2.62Å; R718-S720 VanDerWaalsContact C-N 3.33Å; R718-S720 PolarHBondContact O-N 2.87Å; S720-F727 VanDerWaalsContact CB-O 3.27Å; S720-F727 WeakPolarHBondContact CB-O 3.35Å
721	L	87.4	Confident	86.8	Confident	152 Å²	152	58.6 Å²	58.6	80%	0.796	28%	0.284	S	S	*	.	H	α-helix	trans	-85.5	-25.2	176	-64.9	173.3	0	0	0	113	R717 R718 L719	R717-L721 WeakPolarHBondContact O-CG 3.38Å; R718-L721 PolarHBondContact O-N 3.27Å; L719-L721 PolarHBondContact O-N 2.9Å; L719-L721 VanDerWaalsContact O-N 3.15Å
722	T	87.6	Confident	87	Confident	112 Å²	112	56.2 Å²	56.2	69%	0.687	27%	0.27	S	S	*	.	H	α-helix	trans	-101.1	-17.9	-175.4	58.7	0	0	0	0	113.9	R718 L719	R718-T722 PolarHBondContact O-N 2.93Å; R718-T722 PolarHBondContact O-OG1 3.13Å; L719-T722 PolarHBondContact O-N 3.43Å; L719-T722 PolarHBondContact O-OG1 2.88Å; L719-T722 VanDerWaalsContact O-OG1 3.12Å
723	S	87.2	Confident	86.9	Confident	19 Å²	19	56 Å²	56	13%	0.133	27%	0.272	C	S	.	.	S	Bend	trans	-72.3	151.4	-176.5	54	0	0	0	0	112.7	Y625 L719 V725 F727	Y625-S723 VanDerWaalsContact OH-CB 3.27Å; Y625-S723 WeakPolarHBondContact OH-CB 3.31Å; L719-S723 WeakPolarHBondContact O-CB 3.31Å; L719-S723 PolarHBondContact O-N 2.95Å; L719-S723 PolarHBondContact O-OG 3.42Å; L719-S723 VanDerWaalsContact O-OG 3.14Å; S723-V725 VanDerWaalsContact C-N 3.33Å; S723-V725 WeakPolarHBondContact CB-O 3.5Å; S723-V725 PolarHBondContact OG-O 3.34Å; S723-F727 WeakPolarHBondContact OG-CE1 3.47Å
724	R	85.6	Confident	87	Confident	210 Å²	210	55.8 Å²	55.8	79%	0.792	27%	0.271	S	S	*	.	S	Bend	trans	-69.1	-34	173.7	-67.2	178.7	178	176.2	-1.5	112.2
725	V	88.3	Confident	86.9	Confident	10 Å²	10	52.4 Å²	52.4	6%	0.061	25%	0.253	C	S	.	.	S	Bend	trans	-88.6	127	173.7	-176.7	0	0	0	0	108.2	I607 A611 V618 L622 S723 F727	I607-V725 HydrophobicContact CG1-CG1 4.44Å; I607-V725 HydrophobicContact CG2-CG1 3.89Å; A611-V725 HydrophobicContact CB-CG1 4.13Å; V618-V725 HydrophobicContact CG1-CG2 3.86Å; L622-V725 HydrophobicContact CD2-CB 4.42Å; L622-V725 HydrophobicContact CD2-CG1 4.2Å; L622-V725 HydrophobicContact CD2-CG2 4.38Å; S723-V725 VanDerWaalsContact C-N 3.33Å; S723-V725 WeakPolarHBondContact CB-O 3.5Å; S723-V725 PolarHBondContact OG-O 3.34Å; V725-F727 WeakPolarHBondContact O-CD1 3.44Å; V725-F727 PolarHBondContact O-N 2.91Å
726	R	90	Very high	86.4	Confident	139 Å²	139	51.1 Å²	51.1	53%	0.525	24%	0.241	S	C	.	.			trans	-79.7	115.7	173.9	-61.5	-154.1	-171.6	145.7	-5.8	109.7	Y608 E609	Y608-R726 HydrophobicContact CE1-CB 4.04Å; Y608-R726 HydrophobicContact CE2-CB 4.37Å; E609-R726 WeakPolarHBondContact OE1-CD 3Å; E609-R726 IonicContact OE1-CZ 3.05Å; E609-R726 IonicContact OE1-NE 2.89Å; E609-R726 IonicContact OE1-NH1 2.75Å; E609-R726 PolarHBondContact OE1-NH1 2.9Å; E609-R726 VanDerWaalsContact OE2-CD 3.24Å; E609-R726 WeakPolarHBondContact OE2-CD 3.49Å; E609-R726 IonicContact OE2-CZ 3.4Å; E609-R726 IonicContact OE2-NE 3.92Å; E609-R726 IonicContact OE2-NH1 3.81Å; E609-R726 PolarHBondContact OE2-NH1 3.49Å
727	F	91.8	Very high	85.9	Confident	4 Å²	4	51.9 Å²	51.9	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	163.8	176.4	68.7	-95.2	0	0	0	110	F605 Y606 I607 Y625 L719 S720 S723 V725 I729	F605-F727 AromaticContact CD2-CD2 3.94Å; F605-F727 HydrophobicContact CD2-CD2 3.94Å; F605-F727 HydrophobicContact CD2-CE2 4.22Å; F605-F727 HydrophobicContact CE1-CB 3.89Å; F605-F727 HydrophobicContact CE1-CD2 4.34Å; F605-F727 HydrophobicContact CE1-CG 4.03Å; F605-F727 HydrophobicContact CE2-CB 4.32Å; F605-F727 HydrophobicContact CE2-CD1 4.14Å; F605-F727 AromaticContact CE2-CD2 3.24Å; F605-F727 HydrophobicContact CE2-CD2 3.24Å; F605-F727 HydrophobicContact CE2-CE1 4.24Å; F605-F727 AromaticContact CE2-CE2 3.39Å; F605-F727 HydrophobicContact CE2-CE2 3.39Å; F605-F727 AromaticContact CE2-CG 3.66Å; F605-F727 HydrophobicContact CE2-CG 3.66Å; F605-F727 AromaticContact CE2-CZ 3.9Å; F605-F727 HydrophobicContact CE2-CZ 3.9Å; F605-F727 HydrophobicContact CZ-CB 3.73Å; F605-F727 AromaticContact CZ-CD1 3.64Å; F605-F727 HydrophobicContact CZ-CD1 3.64Å; F605-F727 AromaticContact CZ-CD2 3.48Å; F605-F727 HydrophobicContact CZ-CD2 3.48Å; F605-F727 VanDerWaalsContact CZ-CD2 3.48Å; F605-F727 HydrophobicContact CZ-CE1 4.04Å; F605-F727 AromaticContact CZ-CE2 3.92Å; F605-F727 HydrophobicContact CZ-CE2 3.92Å; F605-F727 AromaticContact CZ-CG 3.33Å; F605-F727 HydrophobicContact CZ-CG 3.33Å; F605-F727 HydrophobicContact CZ-CZ 4.18Å; Y606-F727 CarbonylContact O-C 3.36Å; Y606-F727 WeakPolarHBondContact O-CA 3.22Å; Y606-F727 WeakPolarHBondContact O-CB 3.17Å; I607-F727 HydrophobicContact CG1-CB 4.32Å; Y625-F727 HydrophobicContact CD2-CD1 4.45Å; Y625-F727 AromaticContact CD2-CE1 3.93Å; Y625-F727 HydrophobicContact CD2-CE1 3.93Å; Y625-F727 HydrophobicContact CE2-CE1 4.07Å; L719-F727 HydrophobicContact CB-CZ 4.06Å; S720-F727 VanDerWaalsContact CB-O 3.27Å; S720-F727 WeakPolarHBondContact CB-O 3.35Å; S723-F727 WeakPolarHBondContact OG-CE1 3.47Å; V725-F727 WeakPolarHBondContact O-CD1 3.44Å; V725-F727 PolarHBondContact O-N 2.91Å; F727-I729 HydrophobicContact CD2-CG2 4.42Å; F727-I729 HydrophobicContact CE2-CG2 4.42Å
728	L	91.4	Very high	85.3	Confident	11 Å²	11	51.4 Å²	51.4	6%	0.058	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	158	168.1	64.8	85.9	0	0	0	109	E96 L99 V100 Y606 Y608 F730	E96-L728 HydrophobicContact CB-CD1 4.48Å; L99-L728 HydrophobicContact CD2-CD2 3.51Å; L99-L728 HydrophobicContact CG-CD2 4.27Å; V100-L728 HydrophobicContact CG2-CD1 3.69Å; Y606-L728 HydrophobicContact CD2-CD1 3.66Å; Y606-L728 HydrophobicContact CG-CD1 4.02Å; Y606-L728 PolarHBondContact N-O 3.35Å; Y606-L728 PolarHBondContact O-N 3.28Å; Y608-L728 HydrophobicContact CD1-CB 4.37Å; Y608-L728 HydrophobicContact CD1-CD2 3.75Å; Y608-L728 HydrophobicContact CD1-CG 4.07Å; Y608-L728 HydrophobicContact CE1-CB 4.44Å; Y608-L728 HydrophobicContact CE1-CD2 4.28Å; Y608-L728 HydrophobicContact CG-CD2 4.31Å; L728-F730 HydrophobicContact CD1-CB 4.22Å
729	I	89.9	Confident	84.3	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	135.2	175.6	48.5	151.1	0	0	0	109.7	I603 G604 F605 L713 L716 F727 F734	I603-I729 HydrophobicContact CG2-CB 4.04Å; I603-I729 HydrophobicContact CG2-CG2 4.26Å; G604-I729 CarbonylContact O-C 3.57Å; G604-I729 VanDerWaalsContact O-CA 3.3Å; G604-I729 WeakPolarHBondContact O-CA 3.46Å; F605-I729 HydrophobicContact CD2-CG2 3.8Å; F605-I729 HydrophobicContact CE2-CG2 4.5Å; L713-I729 HydrophobicContact CD1-CD1 3.52Å; L713-I729 HydrophobicContact CD1-CG1 4.45Å; L716-I729 HydrophobicContact CB-CD1 3.34Å; L716-I729 HydrophobicContact CB-CG1 4.17Å; L716-I729 HydrophobicContact CD1-CD1 3.77Å; L716-I729 HydrophobicContact CG-CD1 4.21Å; F727-I729 HydrophobicContact CD2-CG2 4.42Å; F727-I729 HydrophobicContact CE2-CG2 4.42Å; I729-F734 HydrophobicContact CD1-CE2 4.33Å
730	F	88.4	Confident	83	Confident	20 Å²	20	47.9 Å²	47.9	9%	0.088	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	139	-178.3	-179.2	-106.3	0	0	0	112.1	A93 E96 V100 L117 G604 Y606 L728 P732 V735	A93-F730 WeakPolarHBondContact O-CE2 3.47Å; E96-F730 HydrophobicContact CB-CD2 4.11Å; V100-F730 HydrophobicContact CB-CD1 4.2Å; V100-F730 HydrophobicContact CG1-CD1 4.15Å; V100-F730 HydrophobicContact CG2-CB 3.93Å; V100-F730 HydrophobicContact CG2-CD1 4.14Å; V100-F730 HydrophobicContact CG2-CG 4.2Å; L117-F730 WeakPolarHBondContact CD1-O 3.47Å; G604-F730 PolarHBondContact N-O 3.16Å; G604-F730 PolarHBondContact O-N 2.99Å; Y606-F730 HydrophobicContact CD2-CB 4.27Å; Y606-F730 HydrophobicContact CE2-CB 3.89Å; L728-F730 HydrophobicContact CD1-CB 4.22Å; F730-P732 HydrophobicContact CE1-CG 4.26Å; F730-P732 HydrophobicContact CZ-CG 4.47Å; F730-V735 HydrophobicContact CE2-CG2 4.32Å
731	N	87.2	Confident	81.5	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.011	25%	0.251	C	S	.	.			trans	-145.6	139.8	162.9	178.6	-79	0	0	0	107.5	D116 L117 V602 S733 F734	D116-N731 PolarHBondContact O-ND2 2.92Å; L117-N731 HydrophobicContact CD1-CB 4.41Å; V602-N731 PolarHBondContact O-ND2 3.21Å; N731-S733 PolarHBondContact O-N 3.11Å; N731-S733 VanDerWaalsContact O-N 3.07Å; N731-S733 WeakPolarHBondContact OD1-CB 3.31Å; N731-S733 PolarHBondContact OD1-N 3.38Å; N731-S733 PolarHBondContact OD1-OG 3.04Å; N731-F734 HydrophobicContact CB-CD1 4.09Å; N731-F734 HydrophobicContact CB-CD2 4.05Å; N731-F734 HydrophobicContact CB-CE1 3.98Å; N731-F734 HydrophobicContact CB-CE2 3.91Å; N731-F734 HydrophobicContact CB-CG 4.15Å; N731-F734 HydrophobicContact CB-CZ 3.89Å; N731-F734 VanDerWaalsContact O-CB 3.26Å; N731-F734 WeakPolarHBondContact O-CB 3.25Å; N731-F734 WeakPolarHBondContact O-CG 3.17Å; N731-F734 PolarHBondContact O-N 3.36Å
732	P	82.9	Confident	80.4	Confident	39 Å²	39	45 Å²	45	25%	0.253	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-32.9	177	-30.7	35.2	0	0	0	115.1	D116 F730 F734 V735	D116-P732 VanDerWaalsContact O-CD 3.23Å; D116-P732 WeakPolarHBondContact O-CD 3.22Å; D116-P732 WeakPolarHBondContact O-CG 3.33Å; F730-P732 HydrophobicContact CE1-CG 4.26Å; F730-P732 HydrophobicContact CZ-CG 4.47Å; P732-F734 PolarHBondContact O-N 3.43Å; P732-V735 WeakPolarHBondContact O-CB 3.43Å; P732-V735 PolarHBondContact O-N 2.9Å
733	S	79.6	Confident	79.3	Confident	36 Å²	36	39.9 Å²	39.9	25%	0.252	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-24.6	176.6	67.9	0	0	0	0	113.8	N731 V735 Y736 L737	N731-S733 PolarHBondContact O-N 3.11Å; N731-S733 VanDerWaalsContact O-N 3.07Å; N731-S733 WeakPolarHBondContact OD1-CB 3.31Å; N731-S733 PolarHBondContact OD1-N 3.38Å; N731-S733 PolarHBondContact OD1-OG 3.04Å; S733-V735 PolarHBondContact O-N 3.38Å; S733-Y736 PolarHBondContact O-N 3.4Å; S733-Y736 VanDerWaalsContact O-N 3.09Å; S733-L737 PolarHBondContact O-N 2.97Å
734	F	82.1	Confident	78.3	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.009	20%	0.197	C	C	.	.	H	α-helix	trans	-65.8	-25.7	179.5	-61.5	-12.1	0	0	0	112.2	A93 I603 M709 L713 I729 N731 P732 Y736 L737 D738	A93-F734 HydrophobicContact CB-CB 4.15Å; I603-F734 HydrophobicContact CD1-CZ 4.15Å; I603-F734 HydrophobicContact CG1-CZ 4.01Å; I603-F734 HydrophobicContact CG2-CE2 4.11Å; I603-F734 HydrophobicContact CG2-CZ 4.1Å; M709-F734 HydrophobicContact SD-CE1 4.4Å; L713-F734 HydrophobicContact CD1-CD1 4.5Å; L713-F734 HydrophobicContact CD1-CD2 3.58Å; L713-F734 HydrophobicContact CD1-CE1 4.49Å; L713-F734 HydrophobicContact CD1-CE2 3.6Å; L713-F734 HydrophobicContact CD1-CG 4.06Å; L713-F734 HydrophobicContact CD1-CZ 4.06Å; L713-F734 HydrophobicContact CD2-CB 4.26Å; L713-F734 HydrophobicContact CD2-CD1 4.21Å; L713-F734 HydrophobicContact CD2-CD2 4.42Å; L713-F734 HydrophobicContact CD2-CG 4.06Å; I729-F734 HydrophobicContact CD1-CE2 4.33Å; N731-F734 HydrophobicContact CB-CD1 4.09Å; N731-F734 HydrophobicContact CB-CD2 4.05Å; N731-F734 HydrophobicContact CB-CE1 3.98Å; N731-F734 HydrophobicContact CB-CE2 3.91Å; N731-F734 HydrophobicContact CB-CG 4.15Å; N731-F734 HydrophobicContact CB-CZ 3.89Å; N731-F734 VanDerWaalsContact O-CB 3.26Å; N731-F734 WeakPolarHBondContact O-CB 3.25Å; N731-F734 WeakPolarHBondContact O-CG 3.17Å; N731-F734 PolarHBondContact O-N 3.36Å; P732-F734 PolarHBondContact O-N 3.43Å; F734-Y736 PolarHBondContact O-N 3.37Å; F734-L737 HydrophobicContact CD1-CD1 3.85Å; F734-L737 HydrophobicContact CE1-CD1 4.4Å; F734-L737 PolarHBondContact O-N 3.43Å; F734-L737 VanDerWaalsContact O-N 3.09Å; F734-D738 PolarHBondContact O-N 3.1Å
735	V	81.6	Confident	77.7	Confident	5 Å²	5	33 Å²	33	3%	0.03	18%	0.176	C	C	.	.	H	α-helix	trans	-58.6	-36.2	173.6	176.9	0	0	0	0	111.4	A87 P88 A93 K94 F730 P732 S733	A87-V735 HydrophobicContact CB-CG1 3.52Å; P88-V735 WeakPolarHBondContact CD-O 3.35Å; A93-V735 HydrophobicContact CB-CG2 3.96Å; K94-V735 HydrophobicContact CD-CG1 4.48Å; K94-V735 HydrophobicContact CG-CG1 3.98Å; K94-V735 HydrophobicContact CG-CG2 4.28Å; F730-V735 HydrophobicContact CE2-CG2 4.32Å; P732-V735 WeakPolarHBondContact O-CB 3.43Å; P732-V735 PolarHBondContact O-N 2.9Å; S733-V735 PolarHBondContact O-N 3.38Å
736	Y	77.4	Confident	77	Confident	37 Å²	37	33.2 Å²	33.2	15%	0.145	18%	0.178	C	C	.	.	H	α-helix	trans	-82.8	-25.9	176.4	-63	-82	0	0	0	112.9	E83 L86 S733 F734 R739	E83-Y736 WeakPolarHBondContact CB-OH 3.49Å; E83-Y736 WeakPolarHBondContact CG-OH 3.26Å; L86-Y736 HydrophobicContact CB-CE1 4.37Å; S733-Y736 PolarHBondContact O-N 3.4Å; S733-Y736 VanDerWaalsContact O-N 3.09Å; F734-Y736 PolarHBondContact O-N 3.37Å; Y736-R739 WeakPolarHBondContact O-CB 3.4Å
737	L	74.7	Confident	76.2	Confident	21 Å²	21	26.9 Å²	26.9	11%	0.11	16%	0.155	C	C	.	.	H	α-helix	trans	-73.1	-35.1	175.3	-64.9	179.1	0	0	0	112.5	R706 M709 L713 S733 F734 R739 Y740	R706-L737 HydrophobicContact CG-CD2 4.42Å; M709-L737 HydrophobicContact CG-CD1 4.16Å; L713-L737 HydrophobicContact CD2-CB 4.49Å; L713-L737 HydrophobicContact CD2-CD1 4.34Å; S733-L737 PolarHBondContact O-N 2.97Å; F734-L737 HydrophobicContact CD1-CD1 3.85Å; F734-L737 HydrophobicContact CE1-CD1 4.4Å; F734-L737 PolarHBondContact O-N 3.43Å; F734-L737 VanDerWaalsContact O-N 3.09Å; L737-R739 PolarHBondContact O-N 3.32Å; L737-Y740 WeakPolarHBondContact O-CB 3.5Å; L737-Y740 PolarHBondContact O-N 2.88Å
738	D	73.1	Confident	75.5	Confident	28 Å²	28	30.4 Å²	30.4	15%	0.15	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-12.4	176.6	-82.8	1.5	0	0	0	113.3	P88 A93 R717 F734 Y740	P88-D738 HydrophobicContact CG-CB 4.4Å; A93-D738 WeakPolarHBondContact CB-OD2 3.41Å; A93-D738 PolarHBondContact N-OD2 3.4Å; R717-D738 IonicContact CZ-OD1 3.45Å; R717-D738 IonicContact NH1-OD1 3.03Å; R717-D738 PolarHBondContact NH1-OD1 3.48Å; R717-D738 IonicContact NH1-OD2 3.18Å; R717-D738 IonicContact NH2-OD1 4Å; R717-D738 PolarHBondContact NH2-OD1 2.95Å; R717-D738 VanDerWaalsContact NH2-OD1 3.13Å; R717-D738 IonicContact NH2-OD2 3.53Å; R717-D738 PolarHBondContact NH2-OD2 3.49Å; F734-D738 PolarHBondContact O-N 3.1Å; D738-Y740 PolarHBondContact O-N 3.31Å
739	R	67.9	Low	75.1	Confident	9 Å²	9	38 Å²	38	3%	0.034	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-29.9	168.5	-177.3	-174.1	-90.5	-170	-14.6	112.1	L86 M445 Y736 L737 A741 T742 A743	L86-R739 PolarHBondContact O-NE 3.5Å; L86-R739 PolarHBondContact O-NH2 3.49Å; M445-R739 HydrophobicContact CE-CG 4.12Å; M445-R739 VanDerWaalsContact CE-CZ 3.45Å; Y736-R739 WeakPolarHBondContact O-CB 3.4Å; L737-R739 PolarHBondContact O-N 3.32Å; R739-A741 PolarHBondContact O-N 3.44Å; R739-T742 PolarHBondContact O-N 2.86Å; R739-T742 PolarHBondContact O-OG1 3.05Å; R739-A743 HydrophobicContact CG-CB 4.26Å; R739-A743 PolarHBondContact O-N 3.42Å
740	Y	61	Low	74.5	Confident	125 Å²	125	38.2 Å²	38.2	49%	0.49	20%	0.203	S	C	.	.	H	α-helix	trans	-56.7	-46	-166.2	-166.5	-88.5	0	0	0	113.5	Q571 L737 D738 T742	Q571-Y740 HydrophobicContact CB-CD2 3.75Å; Q571-Y740 HydrophobicContact CB-CE2 3.63Å; Q571-Y740 VanDerWaalsContact CD-CZ 3.41Å; Q571-Y740 HydrophobicContact CG-CD2 3.92Å; Q571-Y740 HydrophobicContact CG-CE2 3.54Å; Q571-Y740 PolarHBondContact NE2-O 3.37Å; Q571-Y740 VanDerWaalsContact OE1-C 3.3Å; Q571-Y740 PolarHBondContact OE1-O 3.37Å; L737-Y740 WeakPolarHBondContact O-CB 3.5Å; L737-Y740 PolarHBondContact O-N 2.88Å; D738-Y740 PolarHBondContact O-N 3.31Å; Y740-T742 VanDerWaalsContact C-N 3.32Å; Y740-T742 PolarHBondContact O-N 2.93Å
741	A	57.3	Low	73.9	Confident	76 Å²	76	37.4 Å²	37.4	63%	0.628	20%	0.199	S	C	*	.	H	α-helix	trans	-71.6	-24.4	-179	0	0	0	0	0	113.8	R739 S745	R739-A741 PolarHBondContact O-N 3.44Å; A741-S745 PolarHBondContact O-OG 2.93Å
742	T	62.7	Low	73.8	Confident	40 Å²	40	42.3 Å²	42.3	25%	0.245	23%	0.225	C	C	.	.	H	α-helix	trans	-96.1	-27.6	-172.9	59.6	0	0	0	0	113.6	R739 Y740 S745 S746	R739-T742 PolarHBondContact O-N 2.86Å; R739-T742 PolarHBondContact O-OG1 3.05Å; Y740-T742 VanDerWaalsContact C-N 3.32Å; Y740-T742 PolarHBondContact O-N 2.93Å; T742-S745 PolarHBondContact O-OG 3.19Å; T742-S746 VanDerWaalsContact O-CB 3.3Å; T742-S746 WeakPolarHBondContact O-CB 3.26Å; T742-S746 PolarHBondContact O-N 3.23Å
743	A	64.8	Low	73.9	Confident	3 Å²	3	43.5 Å²	43.5	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-66.8	-41.3	-175.4	0	0	0	0	0	113.5	R739 P747 V802	R739-A743 HydrophobicContact CG-CB 4.26Å; R739-A743 PolarHBondContact O-N 3.42Å; A743-P747 WeakPolarHBondContact O-CD 2.95Å; A743-V802 WeakPolarHBondContact O-CG2 3.36Å
744	V	66.6	Low	73.7	Confident	33 Å²	33	42 Å²	42	20%	0.2	22%	0.218	C	C	.	.	H	α-helix	trans	-83.4	-36.6	-178.9	179.8	0	0	0	0	112	V569 Q571 M797	V569-V744 HydrophobicContact CG1-CG2 4.12Å; Q571-V744 HydrophobicContact CG-CG2 4.2Å; V744-M797 HydrophobicContact CG2-CG 4.43Å
745	S	72.5	Confident	73.7	Confident	51 Å²	51	42.9 Å²	42.9	36%	0.357	22%	0.224	S	C	.	.	H	α-helix	trans	-73.7	-30.7	-175.9	58.8	0	0	0	0	113.2	A741 T742 R749	A741-S745 PolarHBondContact O-OG 2.93Å; T742-S745 PolarHBondContact O-OG 3.19Å; S745-R749 VanDerWaalsContact O-CG 3.26Å; S745-R749 WeakPolarHBondContact O-CG 3.47Å; S745-R749 PolarHBondContact O-N 3.24Å; S745-R749 VanDerWaalsContact O-N 3.08Å
746	S	74.6	Confident	73.9	Confident	16 Å²	16	47.1 Å²	47.1	11%	0.112	25%	0.246	C	C	.	.	H	α-helix	trans	-65	-52.7	-177	168.8	0	0	0	0	114.1	T742 L748 R749 H750	T742-S746 VanDerWaalsContact O-CB 3.3Å; T742-S746 WeakPolarHBondContact O-CB 3.26Å; T742-S746 PolarHBondContact O-N 3.23Å; S746-L748 VanDerWaalsContact C-N 3.29Å; S746-L748 PolarHBondContact O-N 3.44Å; S746-R749 PolarHBondContact O-N 3.12Å; S746-H750 PolarHBondContact O-N 2.92Å; S746-H750 PolarHBondContact OG-CE1 3.12Å
747	P	72.8	Confident	74.1	Confident	5 Å²	5	47.7 Å²	47.7	3%	0.032	25%	0.249	C	C	.	.	H	α-helix	trans	-58.2	-38.8	178.6	-24.5	32	0	0	0	113.6	A743 H750 S751 M797 V802 L805	A743-P747 WeakPolarHBondContact O-CD 2.95Å; P747-H750 PolarHBondContact O-N 3.33Å; P747-S751 WeakPolarHBondContact O-CB 3.35Å; P747-S751 PolarHBondContact O-N 3.4Å; P747-S751 PolarHBondContact O-OG 3.01Å; P747-M797 HydrophobicContact CG-CE 4.35Å; P747-V802 HydrophobicContact CG-CB 4.38Å; P747-V802 HydrophobicContact CG-CG1 4.08Å; P747-V802 HydrophobicContact CG-CG2 3.99Å; P747-L805 HydrophobicContact CB-CB 4.38Å; P747-L805 HydrophobicContact CB-CD1 4.27Å; P747-L805 HydrophobicContact CG-CD1 4.25Å
748	L	77.4	Confident	74.2	Confident	79 Å²	79	47.1 Å²	47.1	41%	0.414	25%	0.246	S	C	.	.	H	α-helix	trans	-66.1	-44.4	178	-67.2	174.1	0	0	0	111.2	S746 H750 S751 L752	S746-L748 VanDerWaalsContact C-N 3.29Å; S746-L748 PolarHBondContact O-N 3.44Å; L748-H750 PolarHBondContact O-N 3.21Å; L748-S751 PolarHBondContact O-N 2.9Å; L748-L752 PolarHBondContact O-N 2.92Å
749	R	82.1	Confident	74.5	Confident	171 Å²	171	49.1 Å²	49.1	65%	0.645	26%	0.257	S	S	*	.	H	α-helix	trans	-61.6	-42.5	175	-72.4	176.6	79.5	124.1	3.6	112	S745 S746 L752 L753	S745-R749 VanDerWaalsContact O-CG 3.26Å; S745-R749 WeakPolarHBondContact O-CG 3.47Å; S745-R749 PolarHBondContact O-N 3.24Å; S745-R749 VanDerWaalsContact O-N 3.08Å; S746-R749 PolarHBondContact O-N 3.12Å; R749-L752 PolarHBondContact O-N 3.14Å; R749-L753 WeakPolarHBondContact O-CB 3.3Å; R749-L753 VanDerWaalsContact O-CG 3.3Å; R749-L753 WeakPolarHBondContact O-CG 3.48Å; R749-L753 PolarHBondContact O-N 3.01Å
750	H	78.3	Confident	75.1	Confident	5 Å²	5	50 Å²	50	2%	0.023	27%	0.268	C	S	.	.	H	α-helix	trans	-64	-41.2	176.6	-64.3	163.8	0	0	0	112.2	T443 S746 P747 L748 L753 A754	T443-H750 PolarHBondContact OG1-CE1 3.09Å; T443-H750 PolarHBondContact OG1-NE2 3.46Å; S746-H750 PolarHBondContact O-N 2.92Å; S746-H750 PolarHBondContact OG-CE1 3.12Å; P747-H750 PolarHBondContact O-N 3.33Å; L748-H750 PolarHBondContact O-N 3.21Å; H750-L753 PolarHBondContact O-N 2.87Å; H750-A754 WeakPolarHBondContact O-CB 3.29Å; H750-A754 PolarHBondContact O-N 3.18Å
751	S	76	Confident	75.8	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-62.7	-44.2	176.9	-53.5	0	0	0	0	111.4	P747 L748 A754 V755	P747-S751 WeakPolarHBondContact O-CB 3.35Å; P747-S751 PolarHBondContact O-N 3.4Å; P747-S751 PolarHBondContact O-OG 3.01Å; L748-S751 PolarHBondContact O-N 2.9Å; S751-A754 PolarHBondContact O-N 2.76Å; S751-V755 WeakPolarHBondContact O-CG2 2.98Å; S751-V755 PolarHBondContact O-N 2.84Å; S751-V755 VanDerWaalsContact O-N 3.1Å
752	L	84.8	Confident	76.6	Confident	105 Å²	105	42.1 Å²	42.1	55%	0.55	23%	0.225	S	C	.	.	H	α-helix	trans	-61.8	-46.5	175.7	-179.4	63.5	0	0	0	111.9	L748 R749 A754 V755 L756	L748-L752 PolarHBondContact O-N 2.92Å; R749-L752 PolarHBondContact O-N 3.14Å; L752-A754 VanDerWaalsContact C-N 3.32Å; L752-A754 PolarHBondContact O-N 3.48Å; L752-V755 PolarHBondContact O-N 3.28Å; L752-L756 HydrophobicContact CG-CD1 4.25Å; L752-L756 WeakPolarHBondContact O-CG 3.31Å; L752-L756 PolarHBondContact O-N 3.31Å
753	L	84.5	Confident	76.9	Confident	64 Å²	64	44.5 Å²	44.5	34%	0.335	24%	0.244	S	C	.	.	H	α-helix	trans	-63	-37.1	177.7	-72.8	167.2	0	0	0	112.3	L437 R749 H750 L756 F757	L437-L753 HydrophobicContact CD1-CB 3.74Å; L437-L753 HydrophobicContact CD1-CD1 4.32Å; R749-L753 WeakPolarHBondContact O-CB 3.3Å; R749-L753 VanDerWaalsContact O-CG 3.3Å; R749-L753 WeakPolarHBondContact O-CG 3.48Å; R749-L753 PolarHBondContact O-N 3.01Å; H750-L753 PolarHBondContact O-N 2.87Å; L753-L756 PolarHBondContact O-N 3.46Å; L753-F757 WeakPolarHBondContact O-CB 3.39Å; L753-F757 PolarHBondContact O-N 2.92Å
754	A	76.4	Confident	77.3	Confident	3 Å²	3	50.2 Å²	50.2	3%	0.025	27%	0.273	C	S	.	.	H	α-helix	trans	-63.5	-42.1	175.3	0	0	0	0	0	112.1	T434 H750 S751 L752 F757 L758	T434-A754 HydrophobicContact CG2-CB 3.7Å; H750-A754 WeakPolarHBondContact O-CB 3.29Å; H750-A754 PolarHBondContact O-N 3.18Å; S751-A754 PolarHBondContact O-N 2.76Å; L752-A754 VanDerWaalsContact C-N 3.32Å; L752-A754 PolarHBondContact O-N 3.48Å; A754-F757 WeakPolarHBondContact O-CB 3.22Å; A754-F757 PolarHBondContact O-N 2.8Å; A754-L758 WeakPolarHBondContact O-CG 3.36Å; A754-L758 PolarHBondContact O-N 2.95Å
755	V	81.4	Confident	77.2	Confident	21 Å²	21	50 Å²	50	13%	0.127	27%	0.272	C	S	.	.	H	α-helix	trans	-65.7	-43.9	174.9	174.1	0	0	0	0	111	S751 L752 F757 L758 L759 L780	S751-V755 WeakPolarHBondContact O-CG2 2.98Å; S751-V755 PolarHBondContact O-N 2.84Å; S751-V755 VanDerWaalsContact O-N 3.1Å; L752-V755 PolarHBondContact O-N 3.28Å; V755-F757 VanDerWaalsContact C-N 3.27Å; V755-F757 PolarHBondContact O-N 3.38Å; V755-L758 PolarHBondContact O-N 3.48Å; V755-L759 HydrophobicContact CG1-CD1 4.05Å; V755-L759 HydrophobicContact CG1-CG 4.42Å; V755-L759 WeakPolarHBondContact O-CG 3.49Å; V755-L759 PolarHBondContact O-N 3.14Å; V755-L780 HydrophobicContact CG2-CD1 4.06Å; V755-L780 HydrophobicContact CG2-CD2 4.03Å; V755-L780 HydrophobicContact CG2-CG 3.83Å
756	L	85.3	Confident	77	Confident	95 Å²	95	50 Å²	50	50%	0.497	27%	0.269	S	S	.	.	H	α-helix	trans	-59.9	-38.9	175.5	-71.5	172.9	0	0	0	111.9	L752 L753 L759 G760	L752-L756 HydrophobicContact CG-CD1 4.25Å; L752-L756 WeakPolarHBondContact O-CG 3.31Å; L752-L756 PolarHBondContact O-N 3.31Å; L753-L756 PolarHBondContact O-N 3.46Å; L756-L759 PolarHBondContact O-N 3.48Å; L756-G760 PolarHBondContact O-N 3.31Å
757	F	82.6	Confident	76.8	Confident	49 Å²	49	51 Å²	51	22%	0.215	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-46	174.2	174.5	-114.3	0	0	0	112.2	M429 M433 L753 A754 V755 L759 G760 L761	M429-F757 HydrophobicContact CE-CE1 4.2Å; M429-F757 HydrophobicContact CE-CZ 4.17Å; M429-F757 HydrophobicContact CG-CE1 4Å; M429-F757 HydrophobicContact CG-CZ 3.88Å; M429-F757 HydrophobicContact SD-CE1 4.23Å; M429-F757 HydrophobicContact SD-CZ 3.75Å; M433-F757 HydrophobicContact CB-CD1 4.06Å; M433-F757 HydrophobicContact CB-CE1 3.99Å; M433-F757 HydrophobicContact CE-CD1 4.12Å; M433-F757 HydrophobicContact CE-CD2 3.27Å; M433-F757 HydrophobicContact CE-CE1 4.01Å; M433-F757 HydrophobicContact CE-CE2 3.15Å; M433-F757 HydrophobicContact CE-CG 3.75Å; M433-F757 HydrophobicContact CE-CZ 3.53Å; M433-F757 HydrophobicContact CG-CB 4.27Å; M433-F757 HydrophobicContact CG-CD1 3.72Å; M433-F757 HydrophobicContact CG-CD2 4.39Å; M433-F757 HydrophobicContact CG-CE1 4.07Å; M433-F757 HydrophobicContact CG-CG 3.86Å; M433-F757 HydrophobicContact SD-CD2 4.47Å; M433-F757 HydrophobicContact SD-CG 4.47Å; L753-F757 WeakPolarHBondContact O-CB 3.39Å; L753-F757 PolarHBondContact O-N 2.92Å; A754-F757 WeakPolarHBondContact O-CB 3.22Å; A754-F757 PolarHBondContact O-N 2.8Å; V755-F757 VanDerWaalsContact C-N 3.27Å; V755-F757 PolarHBondContact O-N 3.38Å; F757-L759 VanDerWaalsContact C-N 3.31Å; F757-L759 PolarHBondContact O-N 2.82Å; F757-G760 WeakPolarHBondContact O-CA 3.36Å; F757-G760 PolarHBondContact O-N 3.5Å; F757-G760 VanDerWaalsContact O-N 3.15Å; F757-L761 HydrophobicContact CD1-CD1 4Å; F757-L761 HydrophobicContact CD2-CG 4.43Å; F757-L761 HydrophobicContact CE1-CD1 3.49Å; F757-L761 VanDerWaalsContact CE1-CD1 3.49Å; F757-L761 HydrophobicContact CE1-CG 4.23Å; F757-L761 HydrophobicContact CE2-CD1 4.18Å; F757-L761 HydrophobicContact CE2-CD2 4.09Å; F757-L761 HydrophobicContact CE2-CG 4.02Å; F757-L761 HydrophobicContact CZ-CD1 3.61Å; F757-L761 HydrophobicContact CZ-CD2 4.02Å; F757-L761 HydrophobicContact CZ-CG 3.94Å; F757-L761 WeakPolarHBondContact O-CG 3.27Å; F757-L761 PolarHBondContact O-N 3.22Å
758	L	76.7	Confident	77.1	Confident	9 Å²	9	54.2 Å²	54.2	5%	0.047	29%	0.29	C	S	.	.	H	α-helix	trans	-59.6	-41.8	175.2	-73.7	174.8	0	0	0	112.2	I430 A754 V755 G760 L761 S762 S772 L775 L779	I430-L758 HydrophobicContact CD1-CD2 3.8Å; I430-L758 HydrophobicContact CG1-CD2 3.98Å; A754-L758 WeakPolarHBondContact O-CG 3.36Å; A754-L758 PolarHBondContact O-N 2.95Å; V755-L758 PolarHBondContact O-N 3.48Å; L758-G760 VanDerWaalsContact C-N 3.34Å; L758-L761 PolarHBondContact O-N 3.22Å; L758-S762 PolarHBondContact O-N 3.45Å; L758-S762 VanDerWaalsContact O-N 3.13Å; L758-S772 PolarHBondContact O-OG 3.17Å; L758-L775 HydrophobicContact CD1-CD2 4.09Å; L758-L775 HydrophobicContact CD1-CG 4.07Å; L758-L775 HydrophobicContact CD2-CD2 4.1Å; L758-L779 HydrophobicContact CD1-CD1 3.64Å
759	L	79.5	Confident	77.2	Confident	70 Å²	70	53.7 Å²	53.7	37%	0.366	29%	0.291	S	S	.	.	H	α-helix	trans	-65.6	-39.4	175.9	-68.7	172.4	0	0	0	110.9	V755 L756 F757 S762 S763 S772	V755-L759 HydrophobicContact CG1-CD1 4.05Å; V755-L759 HydrophobicContact CG1-CG 4.42Å; V755-L759 WeakPolarHBondContact O-CG 3.49Å; V755-L759 PolarHBondContact O-N 3.14Å; L756-L759 PolarHBondContact O-N 3.48Å; F757-L759 VanDerWaalsContact C-N 3.31Å; F757-L759 PolarHBondContact O-N 2.82Å; L759-S762 WeakPolarHBondContact O-CB 3.24Å; L759-S762 PolarHBondContact O-N 2.78Å; L759-S762 VanDerWaalsContact O-N 3.16Å; L759-S762 PolarHBondContact O-OG 2.95Å; L759-S763 PolarHBondContact O-N 2.98Å; L759-S772 PolarHBondContact N-OG 3.4Å
760	G	80.7	Confident	77.1	Confident	27 Å²	27	49 Å²	49	28%	0.278	28%	0.278	S	S	.	.	H	α-helix	trans	-61.4	-41.9	172.5	0	0	0	0	0	113.5	L756 F757 L758 S762 S763 L764	L756-G760 PolarHBondContact O-N 3.31Å; F757-G760 WeakPolarHBondContact O-CA 3.36Å; F757-G760 PolarHBondContact O-N 3.5Å; F757-G760 VanDerWaalsContact O-N 3.15Å; L758-G760 VanDerWaalsContact C-N 3.34Å; G760-S762 PolarHBondContact O-N 2.97Å; G760-S763 PolarHBondContact O-N 3Å; G760-S763 VanDerWaalsContact O-N 3.17Å; G760-S763 PolarHBondContact O-OG 3.13Å; G760-L764 WeakPolarHBondContact O-CG 3.34Å; G760-L764 PolarHBondContact O-N 2.99Å
761	L	75.2	Confident	77.3	Confident	17 Å²	17	49 Å²	49	9%	0.089	28%	0.279	C	S	.	.	H	α-helix	trans	-63.8	-30.8	174.1	-69.2	170.3	0	0	0	112.6	M429 F757 L758 V766 V767	M429-L761 HydrophobicContact CE-CD1 3.26Å; M429-L761 HydrophobicContact CE-CD2 4.04Å; M429-L761 HydrophobicContact CE-CG 4.29Å; M429-L761 HydrophobicContact SD-CD1 4.31Å; M429-L761 HydrophobicContact SD-CD2 4.34Å; F757-L761 HydrophobicContact CD1-CD1 4Å; F757-L761 HydrophobicContact CD2-CG 4.43Å; F757-L761 HydrophobicContact CE1-CD1 3.49Å; F757-L761 VanDerWaalsContact CE1-CD1 3.49Å; F757-L761 HydrophobicContact CE1-CG 4.23Å; F757-L761 HydrophobicContact CE2-CD1 4.18Å; F757-L761 HydrophobicContact CE2-CD2 4.09Å; F757-L761 HydrophobicContact CE2-CG 4.02Å; F757-L761 HydrophobicContact CZ-CD1 3.61Å; F757-L761 HydrophobicContact CZ-CD2 4.02Å; F757-L761 HydrophobicContact CZ-CG 3.94Å; F757-L761 WeakPolarHBondContact O-CG 3.27Å; F757-L761 PolarHBondContact O-N 3.22Å; L758-L761 PolarHBondContact O-N 3.22Å; L761-V766 PolarHBondContact O-N 2.79Å; L761-V767 HydrophobicContact CB-CG2 4.25Å; L761-V767 PolarHBondContact O-N 3.18Å
762	S	73.1	Confident	77.8	Confident	18 Å²	18	49 Å²	49	13%	0.126	28%	0.278	C	S	.	.	H	α-helix	trans	-73.3	-34.8	174.9	82.7	0	0	0	0	112.7	L758 L759 G760 L764 V765 V767	L758-S762 PolarHBondContact O-N 3.45Å; L758-S762 VanDerWaalsContact O-N 3.13Å; L759-S762 WeakPolarHBondContact O-CB 3.24Å; L759-S762 PolarHBondContact O-N 2.78Å; L759-S762 VanDerWaalsContact O-N 3.16Å; L759-S762 PolarHBondContact O-OG 2.95Å; G760-S762 PolarHBondContact O-N 2.97Å; S762-L764 VanDerWaalsContact C-N 3.35Å; S762-V765 PolarHBondContact O-N 3.4Å; S762-V765 VanDerWaalsContact O-N 3.15Å; S762-V767 WeakPolarHBondContact CA-O 3.36Å
763	S	69.4	Low	77.9	Confident	90 Å²	90	48.1 Å²	48.1	63%	0.629	27%	0.274	S	S	*	.	H	α-helix	trans	-70.5	-32.1	174.8	71	0	0	0	0	111.9	L759 G760 V765	L759-S763 PolarHBondContact O-N 2.98Å; G760-S763 PolarHBondContact O-N 3Å; G760-S763 VanDerWaalsContact O-N 3.17Å; G760-S763 PolarHBondContact O-OG 3.13Å; S763-V765 PolarHBondContact O-N 3.05Å
764	L	72.4	Confident	78.1	Confident	124 Å²	124	47.2 Å²	47.2	65%	0.649	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	8.8	169.5	-65.6	177.1	0	0	0	114.1	G760 S762 V766	G760-L764 WeakPolarHBondContact O-CG 3.34Å; G760-L764 PolarHBondContact O-N 2.99Å; S762-L764 VanDerWaalsContact C-N 3.35Å; L764-V766 HydrophobicContact CB-CG2 4.15Å; L764-V766 PolarHBondContact O-N 3.33Å
765	V	66.4	Low	78.8	Confident	29 Å²	29	47.7 Å²	47.7	18%	0.176	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	0.4	175.7	-175.4	0	0	0	0	114.1	G29 R33 S762 S763	G29-V765 WeakPolarHBondContact O-CG1 3.18Å; R33-V765 HydrophobicContact CB-CG1 3.53Å; R33-V765 HydrophobicContact CG-CG1 4.29Å; R33-V765 VanDerWaalsContact CG-O 3.3Å; R33-V765 WeakPolarHBondContact CG-O 3.49Å; R33-V765 PolarHBondContact NE-O 3.29Å; S762-V765 PolarHBondContact O-N 3.4Å; S762-V765 VanDerWaalsContact O-N 3.15Å; S763-V765 PolarHBondContact O-N 3.05Å
766	V	67.4	Low	79.2	Confident	49 Å²	49	46.8 Å²	46.8	30%	0.297	26%	0.263	S	S	.	.	S	Bend	trans	-67.2	-43.2	179.5	-177.3	0	0	0	0	111.8	L36 H37 L761 L764	L36-V766 HydrophobicContact CD2-CG2 4.2Å; H37-V766 PolarHBondContact NE2-O 2.87Å; L761-V766 PolarHBondContact O-N 2.79Å; L764-V766 HydrophobicContact CB-CG2 4.15Å; L764-V766 PolarHBondContact O-N 3.33Å
767	V	70.9	Confident	79.5	Confident	37 Å²	37	46.4 Å²	46.4	22%	0.224	26%	0.261	C	S	.	.	S	Bend	trans	-115.8	149.5	-179	-176.2	0	0	0	0	110.3	R33 L761 S762 V771	R33-V767 PolarHBondContact NH2-O 2.7Å; L761-V767 HydrophobicContact CB-CG2 4.25Å; L761-V767 PolarHBondContact O-N 3.18Å; S762-V767 WeakPolarHBondContact CA-O 3.36Å; V767-V771 HydrophobicContact CG1-CB 4.2Å; V767-V771 HydrophobicContact CG1-CG1 4.06Å
768	E	77.7	Confident	79.9	Confident	74 Å²	74	44.4 Å²	44.4	35%	0.346	25%	0.253	S	S	.	.			trans	-68.1	131.2	173.8	-170.7	163.1	-168.5	0	0	111.3	L770 V771 S772	E768-L770 HydrophobicContact CG-CB 4.37Å; E768-L770 PolarHBondContact O-N 2.81Å; E768-V771 HydrophobicContact CB-CB 4.29Å; E768-V771 HydrophobicContact CB-CG2 4.02Å; E768-V771 WeakPolarHBondContact O-CB 3.46Å; E768-V771 PolarHBondContact O-N 2.88Å; E768-S772 PolarHBondContact O-N 3.23Å
769	P	80.3	Confident	80.7	Confident	68 Å²	68	44 Å²	44	44%	0.442	25%	0.251	S	S	.	.	H	α-helix	trans	-60.8	-32	-175.5	23	-35.4	0	0	0	112.8	S772 L773	P769-S772 PolarHBondContact O-N 2.9Å; P769-L773 VanDerWaalsContact O-CB 3.32Å; P769-L773 WeakPolarHBondContact O-CB 3.47Å; P769-L773 PolarHBondContact O-N 3Å
770	L	80.6	Confident	81.3	Confident	72 Å²	72	44.2 Å²	44.2	38%	0.377	25%	0.252	S	S	.	.	H	α-helix	trans	-63.2	-46.4	174.3	-164.4	88.4	0	0	0	110.9	E768 L773 W774	E768-L770 HydrophobicContact CG-CB 4.37Å; E768-L770 PolarHBondContact O-N 2.81Å; L770-L773 PolarHBondContact O-N 3.47Å; L770-W774 VanDerWaalsContact O-CD1 3.22Å; L770-W774 PolarHBondContact O-N 3.32Å
771	V	82.9	Confident	81.9	Confident	6 Å²	6	43.5 Å²	43.5	4%	0.036	24%	0.243	C	C	.	.	H	α-helix	trans	-62.6	-45.6	177.3	173.1	0	0	0	0	110.6	V767 E768 L773 W774 L775 L820 A824	V767-V771 HydrophobicContact CG1-CB 4.2Å; V767-V771 HydrophobicContact CG1-CG1 4.06Å; E768-V771 HydrophobicContact CB-CB 4.29Å; E768-V771 HydrophobicContact CB-CG2 4.02Å; E768-V771 WeakPolarHBondContact O-CB 3.46Å; E768-V771 PolarHBondContact O-N 2.88Å; V771-L773 PolarHBondContact O-N 3.3Å; V771-W774 PolarHBondContact O-N 3.26Å; V771-L775 WeakPolarHBondContact O-CB 3.49Å; V771-L775 PolarHBondContact O-N 2.83Å; V771-L820 HydrophobicContact CG1-CB 4.09Å; V771-A824 HydrophobicContact CG2-CB 3.32Å
772	S	86.1	Confident	82.8	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.007	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-43.5	178.7	179.6	0	0	0	0	112.4	L758 L759 E768 P769 G776	L758-S772 PolarHBondContact O-OG 3.17Å; L759-S772 PolarHBondContact N-OG 3.4Å; E768-S772 PolarHBondContact O-N 3.23Å; P769-S772 PolarHBondContact O-N 2.9Å; S772-G776 PolarHBondContact O-N 2.89Å
773	L	86.8	Confident	83.7	Confident	88 Å²	88	42.3 Å²	42.3	46%	0.461	24%	0.235	S	C	.	.	H	α-helix	trans	-62.8	-51.8	177.7	179.7	63.5	0	0	0	112	P769 L770 V771 G776 L777	P769-L773 VanDerWaalsContact O-CB 3.32Å; P769-L773 WeakPolarHBondContact O-CB 3.47Å; P769-L773 PolarHBondContact O-N 3Å; L770-L773 PolarHBondContact O-N 3.47Å; V771-L773 PolarHBondContact O-N 3.3Å; L773-G776 PolarHBondContact O-N 2.73Å; L773-L777 HydrophobicContact CD1-CD1 4.48Å; L773-L777 HydrophobicContact CG-CD1 4.37Å; L773-L777 WeakPolarHBondContact O-CG 3.3Å; L773-L777 PolarHBondContact O-N 2.67Å
774	W	88.7	Confident	84.8	Confident	45 Å²	45	40.7 Å²	40.7	17%	0.17	22%	0.216	C	C	.	.	H	α-helix	trans	-67.9	-38.7	-178.9	-78.9	102.5	0	0	0	112.4	L770 V771 L777 T778 L820 L890 L893 L897	L770-W774 VanDerWaalsContact O-CD1 3.22Å; L770-W774 PolarHBondContact O-N 3.32Å; V771-W774 PolarHBondContact O-N 3.26Å; W774-L777 HydrophobicContact CE3-CD1 4.34Å; W774-L777 HydrophobicContact CZ3-CD1 4.46Å; W774-L777 PolarHBondContact O-N 3.4Å; W774-T778 VanDerWaalsContact O-CG2 3.25Å; W774-T778 WeakPolarHBondContact O-CG2 3.25Å; W774-T778 PolarHBondContact O-N 3.31Å; W774-T778 PolarHBondContact O-OG1 3.31Å; W774-L820 HydrophobicContact CB-CD1 4.2Å; W774-L820 HydrophobicContact CB-CD2 3.82Å; W774-L890 HydrophobicContact CE3-CD1 4.48Å; W774-L893 HydrophobicContact CZ3-CB 4.22Å; W774-L893 HydrophobicContact CZ3-CD1 4.27Å; W774-L897 HydrophobicContact CD2-CD1 4.37Å; W774-L897 VanDerWaalsContact CE2-CD1 3.42Å; W774-L897 HydrophobicContact CH2-CD1 4.39Å; W774-L897 HydrophobicContact CZ2-CD1 3.46Å; W774-L897 VanDerWaalsContact CZ2-CD1 3.46Å; W774-L897 HydrophobicContact CZ2-CD2 3.99Å; W774-L897 HydrophobicContact CZ2-CG 4.12Å; W774-L897 VanDerWaalsContact NE1-CD1 3.3Å
775	L	89.8	Confident	85.9	Confident	12 Å²	12	34.8 Å²	34.8	6%	0.063	19%	0.185	C	C	.	.	H	α-helix	trans	-59.6	-50.6	172.8	-175.2	58.5	0	0	0	109.6	I430 L758 V771 L777 T778 L779 S816 L820	I430-L775 HydrophobicContact CD1-CD2 4.01Å; L758-L775 HydrophobicContact CD1-CD2 4.09Å; L758-L775 HydrophobicContact CD1-CG 4.07Å; L758-L775 HydrophobicContact CD2-CD2 4.1Å; V771-L775 WeakPolarHBondContact O-CB 3.49Å; V771-L775 PolarHBondContact O-N 2.83Å; L775-L777 PolarHBondContact O-N 2.93Å; L775-T778 WeakPolarHBondContact CA-OG1 3.42Å; L775-T778 PolarHBondContact O-N 3.43Å; L775-T778 VanDerWaalsContact O-N 3.1Å; L775-T778 PolarHBondContact O-OG1 3.1Å; L775-L779 HydrophobicContact CD1-CD2 4.39Å; L775-L779 HydrophobicContact CD1-CG 4.37Å; L775-L779 HydrophobicContact CG-CD1 4.35Å; L775-L779 HydrophobicContact CG-CG 4.44Å; L775-L779 VanDerWaalsContact O-CG 3.3Å; L775-L779 WeakPolarHBondContact O-CG 3.32Å; L775-L779 PolarHBondContact O-N 3.46Å; L775-S816 VanDerWaalsContact CD1-OG 3.23Å; L775-S816 WeakPolarHBondContact CD1-OG 3.43Å; L775-L820 HydrophobicContact CB-CD1 3.85Å; L775-L820 HydrophobicContact CD1-CD1 4.2Å
776	G	90.2	Very high	87.3	Confident	3 Å²	3	33.4 Å²	33.4	3%	0.031	18%	0.177	C	C	.	.	H	α-helix	trans	-54.9	-45.6	176.7	0	0	0	0	0	113.8	S772 L773 T778 L779 L780	S772-G776 PolarHBondContact O-N 2.89Å; L773-G776 PolarHBondContact O-N 2.73Å; G776-T778 PolarHBondContact O-N 3.32Å; G776-L779 PolarHBondContact O-N 3.41Å; G776-L780 WeakPolarHBondContact O-CG 3.29Å; G776-L780 PolarHBondContact O-N 3.05Å
777	L	91.2	Very high	88.5	Confident	86 Å²	86	31.4 Å²	31.4	45%	0.45	17%	0.165	S	C	.	.	H	α-helix	trans	-62.8	-40.9	176.2	-70.7	173.6	0	0	0	112.4	L773 W774 L775 L780 S781	L773-L777 HydrophobicContact CD1-CD1 4.48Å; L773-L777 HydrophobicContact CG-CD1 4.37Å; L773-L777 WeakPolarHBondContact O-CG 3.3Å; L773-L777 PolarHBondContact O-N 2.67Å; W774-L777 HydrophobicContact CE3-CD1 4.34Å; W774-L777 HydrophobicContact CZ3-CD1 4.46Å; W774-L777 PolarHBondContact O-N 3.4Å; L775-L777 PolarHBondContact O-N 2.93Å; L777-L780 PolarHBondContact O-N 3.04Å; L777-S781 WeakPolarHBondContact O-CB 3.37Å; L777-S781 PolarHBondContact O-N 3Å
778	T	92.8	Very high	89.6	Confident	8 Å²	8	29.6 Å²	29.6	5%	0.049	15%	0.154	C	C	.	.	H	α-helix	trans	-66.2	-41	177	59.8	0	0	0	0	112.1	W774 L775 G776 S781 V782 L890	W774-T778 VanDerWaalsContact O-CG2 3.25Å; W774-T778 WeakPolarHBondContact O-CG2 3.25Å; W774-T778 PolarHBondContact O-N 3.31Å; W774-T778 PolarHBondContact O-OG1 3.31Å; L775-T778 WeakPolarHBondContact CA-OG1 3.42Å; L775-T778 PolarHBondContact O-N 3.43Å; L775-T778 VanDerWaalsContact O-N 3.1Å; L775-T778 PolarHBondContact O-OG1 3.1Å; G776-T778 PolarHBondContact O-N 3.32Å; T778-S781 PolarHBondContact O-N 2.89Å; T778-V782 WeakPolarHBondContact O-CG2 3.37Å; T778-V782 PolarHBondContact O-N 2.86Å; T778-L890 HydrophobicContact CG2-CD1 3.51Å; T778-L890 HydrophobicContact CG2-CD2 3.99Å; T778-L890 HydrophobicContact CG2-CG 4.22Å
779	L	91.9	Very high	90.4	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-62.4	-44.5	177.1	-63.5	-177.3	0	0	0	111.1	L758 L775 G776 Q783 L809 S812 A813	L758-L779 HydrophobicContact CD1-CD1 3.64Å; L775-L779 HydrophobicContact CD1-CD2 4.39Å; L775-L779 HydrophobicContact CD1-CG 4.37Å; L775-L779 HydrophobicContact CG-CD1 4.35Å; L775-L779 HydrophobicContact CG-CG 4.44Å; L775-L779 VanDerWaalsContact O-CG 3.3Å; L775-L779 WeakPolarHBondContact O-CG 3.32Å; L775-L779 PolarHBondContact O-N 3.46Å; G776-L779 PolarHBondContact O-N 3.41Å; L779-Q783 VanDerWaalsContact O-CB 3.3Å; L779-Q783 WeakPolarHBondContact O-CB 3.27Å; L779-Q783 PolarHBondContact O-N 3.16Å; L779-L809 HydrophobicContact CB-CD2 4.11Å; L779-L809 WeakPolarHBondContact CD2-O 3.49Å; L779-S812 WeakPolarHBondContact CD2-OG 3.34Å; L779-A813 HydrophobicContact CD2-CB 3.99Å
780	L	91.9	Very high	91.1	Very high	73 Å²	73	25.1 Å²	25.1	38%	0.382	13%	0.127	S	C	.	.	H	α-helix	trans	-64.1	-41.8	176.6	-69.8	173.8	0	0	0	112.2	V755 G776 L777 Q783 F784	V755-L780 HydrophobicContact CG2-CD1 4.06Å; V755-L780 HydrophobicContact CG2-CD2 4.03Å; V755-L780 HydrophobicContact CG2-CG 3.83Å; G776-L780 WeakPolarHBondContact O-CG 3.29Å; G776-L780 PolarHBondContact O-N 3.05Å; L777-L780 PolarHBondContact O-N 3.04Å; L780-Q783 PolarHBondContact O-N 2.74Å; L780-F784 VanDerWaalsContact O-CB 3.26Å; L780-F784 WeakPolarHBondContact O-CB 3.49Å; L780-F784 PolarHBondContact O-N 2.95Å
781	S	94.9	Very high	91.6	Very high	12 Å²	12	22.5 Å²	22.5	8%	0.084	11%	0.113	C	C	.	.	H	α-helix	trans	-69.9	-39.2	-179.6	-167.2	0	0	0	0	112.7	Y555 Y558 L777 T778 G785 H885	Y555-S781 PolarHBondContact OH-OG 3.34Å; Y558-S781 PolarHBondContact OH-O 2.86Å; L777-S781 WeakPolarHBondContact O-CB 3.37Å; L777-S781 PolarHBondContact O-N 3Å; T778-S781 PolarHBondContact O-N 2.89Å; S781-G785 PolarHBondContact O-N 3.29Å; S781-H885 WeakPolarHBondContact CB-NE2 3.3Å; S781-H885 PolarHBondContact OG-NE2 3.25Å; S781-H885 VanDerWaalsContact OG-NE2 3.11Å
782	V	94.4	Very high	92.1	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-61.7	-48.5	171.2	172	0	0	0	0	109.9	T778 F784 G785 V786 C881 H885	T778-V782 WeakPolarHBondContact O-CG2 3.37Å; T778-V782 PolarHBondContact O-N 2.86Å; V782-F784 VanDerWaalsContact C-N 3.34Å; V782-F784 PolarHBondContact O-N 3.12Å; V782-G785 PolarHBondContact O-N 2.97Å; V782-V786 HydrophobicContact CG1-CG2 4.1Å; V782-V786 VanDerWaalsContact O-CG2 3.31Å; V782-V786 WeakPolarHBondContact O-CG2 3.11Å; V782-V786 PolarHBondContact O-N 3.46Å; V782-C881 HydrophobicContact CG1-CB 4.13Å; V782-H885 HydrophobicContact CG2-CB 3.95Å; V782-H885 VanDerWaalsContact CG2-CG 3.44Å; V782-H885 WeakPolarHBondContact CG2-ND1 3.39Å
783	Q	91.6	Very high	92.5	Very high	9 Å²	9	30.3 Å²	30.3	4%	0.042	15%	0.146	C	C	.	.	H	α-helix	trans	-60.4	-45.1	-179.3	-168.5	73.3	-14.3	0	0	112.3	L779 L780 V786 L787 L805 L809	L779-Q783 VanDerWaalsContact O-CB 3.3Å; L779-Q783 WeakPolarHBondContact O-CB 3.27Å; L779-Q783 PolarHBondContact O-N 3.16Å; L780-Q783 PolarHBondContact O-N 2.74Å; Q783-V786 PolarHBondContact O-N 2.74Å; Q783-L787 WeakPolarHBondContact O-CB 3.48Å; Q783-L787 PolarHBondContact O-N 3Å; Q783-L805 PolarHBondContact NE2-O 2.72Å; Q783-L805 PolarHBondContact OE1-O 3.38Å; Q783-L809 HydrophobicContact CB-CD2 4.3Å
784	F	93	Very high	92.7	Very high	56 Å²	56	28.7 Å²	28.7	25%	0.246	15%	0.151	C	C	.	.	H	α-helix	trans	-60.3	-45.8	178.2	179.7	-104.1	0	0	0	111.7	I559 L563 F566 L780 V782 L787 G788	I559-F784 HydrophobicContact CG2-CE1 4.4Å; L563-F784 HydrophobicContact CB-CE1 4.39Å; L563-F784 HydrophobicContact CB-CZ 3.92Å; L563-F784 HydrophobicContact CD1-CZ 4.09Å; F566-F784 HydrophobicContact CB-CE2 3.95Å; F566-F784 HydrophobicContact CB-CZ 4.33Å; F566-F784 HydrophobicContact CD1-CE2 4.43Å; F566-F784 HydrophobicContact CD2-CE2 4.24Å; F566-F784 AromaticContact CG-CE2 3.94Å; F566-F784 HydrophobicContact CG-CE2 3.94Å; L780-F784 VanDerWaalsContact O-CB 3.26Å; L780-F784 WeakPolarHBondContact O-CB 3.49Å; L780-F784 PolarHBondContact O-N 2.95Å; V782-F784 VanDerWaalsContact C-N 3.34Å; V782-F784 PolarHBondContact O-N 3.12Å; F784-L787 PolarHBondContact O-N 2.87Å; F784-G788 PolarHBondContact O-N 3.47Å
785	G	94.8	Very high	92.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-70.7	-40.1	177.2	0	0	0	0	0	113.1	Y558 S781 V782 L787 G788 F789	Y558-G785 VanDerWaalsContact OH-CA 3.24Å; Y558-G785 WeakPolarHBondContact OH-CA 3.01Å; S781-G785 PolarHBondContact O-N 3.29Å; V782-G785 PolarHBondContact O-N 2.97Å; G785-L787 VanDerWaalsContact C-N 3.28Å; G785-L787 PolarHBondContact O-N 2.95Å; G785-G788 PolarHBondContact O-N 3.28Å; G785-F789 WeakPolarHBondContact O-CB 3.32Å; G785-F789 WeakPolarHBondContact O-CD2 3.01Å; G785-F789 PolarHBondContact O-N 3.46Å
786	V	94.8	Very high	92.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.8	-43.7	175.1	175.8	0	0	0	0	110.4	V782 Q783 M790 L805 L877 C881	V782-V786 HydrophobicContact CG1-CG2 4.1Å; V782-V786 VanDerWaalsContact O-CG2 3.31Å; V782-V786 WeakPolarHBondContact O-CG2 3.11Å; V782-V786 PolarHBondContact O-N 3.46Å; Q783-V786 PolarHBondContact O-N 2.74Å; V786-M790 VanDerWaalsContact O-CB 3.28Å; V786-M790 WeakPolarHBondContact O-CB 3.44Å; V786-M790 WeakPolarHBondContact O-CG 3.44Å; V786-M790 PolarHBondContact O-N 2.78Å; V786-L805 HydrophobicContact CB-CD2 4.15Å; V786-L805 HydrophobicContact CG1-CD2 3.74Å; V786-L877 HydrophobicContact CG1-CB 4.45Å; V786-C881 HydrophobicContact CG2-CB 3.86Å
787	L	92.7	Very high	92.1	Very high	7 Å²	7	30.3 Å²	30.3	4%	0.037	16%	0.16	C	C	.	.	H	α-helix	trans	-63.7	-42.1	175.8	179.2	60.6	0	0	0	112.9	F566 V569 Q783 F784 G785 M790 T791 M797 L805	F566-L787 HydrophobicContact CD2-CD2 3.65Å; F566-L787 HydrophobicContact CD2-CG 4.28Å; F566-L787 HydrophobicContact CE2-CD2 3.79Å; V569-L787 HydrophobicContact CG2-CD1 4.36Å; Q783-L787 WeakPolarHBondContact O-CB 3.48Å; Q783-L787 PolarHBondContact O-N 3Å; F784-L787 PolarHBondContact O-N 2.87Å; G785-L787 VanDerWaalsContact C-N 3.28Å; G785-L787 PolarHBondContact O-N 2.95Å; L787-M790 HydrophobicContact CD1-SD 4.07Å; L787-M790 WeakPolarHBondContact O-CG 3.43Å; L787-T791 WeakPolarHBondContact O-CG2 3.45Å; L787-M797 HydrophobicContact CD1-CE 4.06Å; L787-M797 HydrophobicContact CD1-SD 3.6Å; L787-M797 VanDerWaalsContact CD1-SD 3.6Å; L787-L805 HydrophobicContact CB-CD2 4.13Å; L787-L805 HydrophobicContact CD1-CD1 4.02Å
788	G	93.8	Very high	91.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-71.8	-44.8	177.5	0	0	0	0	0	113.3	G562 G565 F784 G785 M790 T791 L792	G562-G788 WeakPolarHBondContact O-CA 3.36Å; G565-G788 WeakPolarHBondContact CA-O 3.26Å; F784-G788 PolarHBondContact O-N 3.47Å; G785-G788 PolarHBondContact O-N 3.28Å; G788-M790 VanDerWaalsContact C-N 3.35Å; G788-M790 PolarHBondContact O-N 2.89Å; G788-T791 PolarHBondContact O-N 3.38Å; G788-T791 PolarHBondContact O-OG1 3.34Å; G788-L792 WeakPolarHBondContact O-CG 3.5Å; G788-L792 PolarHBondContact O-N 2.92Å
789	F	95.9	Very high	91.2	Very high	48 Å²	48	26.4 Å²	26.4	21%	0.211	14%	0.139	C	C	.	.	H	α-helix	trans	-72.3	-27.8	-179.5	-68.8	-63.2	0	0	0	112.7	Y558 F561 G785 T791 L792 W793 L877	Y558-F789 AromaticContact CD2-CE2 3.48Å; Y558-F789 HydrophobicContact CD2-CE2 3.48Å; Y558-F789 VanDerWaalsContact CD2-CE2 3.48Å; Y558-F789 AromaticContact CD2-CZ 3.99Å; Y558-F789 HydrophobicContact CD2-CZ 3.99Å; Y558-F789 HydrophobicContact CE2-CD2 4.21Å; Y558-F789 AromaticContact CE2-CE2 3.47Å; Y558-F789 HydrophobicContact CE2-CE2 3.47Å; Y558-F789 VanDerWaalsContact CE2-CE2 3.47Å; Y558-F789 HydrophobicContact CE2-CZ 4.42Å; Y558-F789 HydrophobicContact CG-CE2 4.28Å; F561-F789 HydrophobicContact CB-CE1 3.56Å; F561-F789 HydrophobicContact CB-CZ 3.85Å; F561-F789 HydrophobicContact CG-CE1 4.46Å; G785-F789 WeakPolarHBondContact O-CB 3.32Å; G785-F789 WeakPolarHBondContact O-CD2 3.01Å; G785-F789 PolarHBondContact O-N 3.46Å; F789-T791 VanDerWaalsContact C-N 3.33Å; F789-L792 HydrophobicContact CD1-CD1 4.15Å; F789-L792 HydrophobicContact CE1-CD1 4.46Å; F789-L792 PolarHBondContact O-N 3.22Å; F789-W793 VanDerWaalsContact O-CB 3.29Å; F789-W793 WeakPolarHBondContact O-CB 3.24Å; F789-W793 PolarHBondContact O-N 3.37Å; F789-L877 HydrophobicContact CB-CD1 4.07Å; F789-L877 HydrophobicContact CB-CD2 3.77Å
790	M	93.6	Very high	91	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.9	-38.4	174.8	66.5	171.9	-88.9	0	0	111.7	V786 L787 G788 W793 G794 V795 M797 L805 L877	V786-M790 VanDerWaalsContact O-CB 3.28Å; V786-M790 WeakPolarHBondContact O-CB 3.44Å; V786-M790 WeakPolarHBondContact O-CG 3.44Å; V786-M790 PolarHBondContact O-N 2.78Å; L787-M790 HydrophobicContact CD1-SD 4.07Å; L787-M790 WeakPolarHBondContact O-CG 3.43Å; G788-M790 VanDerWaalsContact C-N 3.35Å; G788-M790 PolarHBondContact O-N 2.89Å; M790-W793 CarbonylContact O-C 3.57Å; M790-W793 PolarHBondContact O-N 2.8Å; M790-G794 PolarHBondContact O-N 3.17Å; M790-V795 HydrophobicContact CB-CB 4.18Å; M790-V795 HydrophobicContact CE-CB 4.31Å; M790-V795 HydrophobicContact CE-CG1 3.99Å; M790-V795 VanDerWaalsContact O-CB 3.28Å; M790-V795 WeakPolarHBondContact O-CB 3.41Å; M790-V795 PolarHBondContact O-N 3.23Å; M790-M797 HydrophobicContact CE-CG 4.21Å; M790-M797 HydrophobicContact CE-SD 3.26Å; M790-M797 WeakPolarHBondContact CE-SD 3.32Å; M790-M797 HydrophobicContact SD-SD 3.87Å; M790-L805 HydrophobicContact SD-CD1 4.03Å; M790-L805 HydrophobicContact SD-CD2 4.41Å; M790-L805 HydrophobicContact SD-CG 4.31Å; M790-L877 HydrophobicContact CB-CD1 3.86Å
791	T	91.7	Very high	90.9	Very high	16 Å²	16	23 Å²	23	10%	0.098	12%	0.122	C	C	.	.	H	α-helix	trans	-71.7	-42	178.6	60.2	0	0	0	0	110.7	G565 V569 L787 G788 F789 W793 G794	G565-T791 WeakPolarHBondContact CA-OG1 3.38Å; G565-T791 PolarHBondContact O-OG1 3.14Å; V569-T791 HydrophobicContact CB-CG2 4.11Å; V569-T791 HydrophobicContact CG1-CG2 4.39Å; V569-T791 HydrophobicContact CG2-CG2 3.68Å; L787-T791 WeakPolarHBondContact O-CG2 3.45Å; G788-T791 PolarHBondContact O-N 3.38Å; G788-T791 PolarHBondContact O-OG1 3.34Å; F789-T791 VanDerWaalsContact C-N 3.33Å; T791-W793 PolarHBondContact O-N 2.72Å; T791-G794 WeakPolarHBondContact O-CA 3.23Å; T791-G794 PolarHBondContact O-N 3.2Å
792	L	94.1	Very high	90.6	Very high	62 Å²	62	22.6 Å²	22.6	33%	0.325	12%	0.118	S	C	.	.	H	α-helix	trans	-61.7	-27.8	172.3	-64.2	-179.4	0	0	0	112.7	F561 M564 G788 F789 G794	F561-L792 HydrophobicContact CB-CD1 4.24Å; F561-L792 HydrophobicContact CD1-CD1 4.27Å; F561-L792 WeakPolarHBondContact O-CD1 3.28Å; M564-L792 HydrophobicContact CE-CD1 3.84Å; M564-L792 HydrophobicContact CE-CD2 3.43Å; M564-L792 VanDerWaalsContact CE-CD2 3.43Å; M564-L792 HydrophobicContact CE-CG 4.29Å; M564-L792 HydrophobicContact CG-CD2 4.48Å; G788-L792 WeakPolarHBondContact O-CG 3.5Å; G788-L792 PolarHBondContact O-N 2.92Å; F789-L792 HydrophobicContact CD1-CD1 4.15Å; F789-L792 HydrophobicContact CE1-CD1 4.46Å; F789-L792 PolarHBondContact O-N 3.22Å; L792-G794 PolarHBondContact O-N 2.69Å
793	W	94.6	Very high	90.3	Very high	109 Å²	109	22.8 Å²	22.8	41%	0.413	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	14.2	173.4	-153	-7.2	0	0	0	113.4	F789 M790 T791 V795 R873 L877	F789-W793 VanDerWaalsContact O-CB 3.29Å; F789-W793 WeakPolarHBondContact O-CB 3.24Å; F789-W793 PolarHBondContact O-N 3.37Å; M790-W793 CarbonylContact O-C 3.57Å; M790-W793 PolarHBondContact O-N 2.8Å; T791-W793 PolarHBondContact O-N 2.72Å; W793-V795 PolarHBondContact O-N 3.08Å; W793-R873 HydrophobicContact CD2-CB 4.47Å; W793-R873 HydrophobicContact CD2-CG 4.19Å; W793-R873 HydrophobicContact CE3-CB 4.3Å; W793-R873 HydrophobicContact CE3-CG 4.43Å; W793-R873 HydrophobicContact CZ2-CG 4.39Å; W793-R873 PolarHBondContact O-NH1 3.49Å; W793-R873 VanDerWaalsContact O-NH1 3.17Å; W793-L877 HydrophobicContact CE3-CD1 3.85Å; W793-L877 HydrophobicContact CE3-CD2 3.69Å; W793-L877 HydrophobicContact CE3-CG 3.62Å; W793-L877 HydrophobicContact CZ3-CD1 4.47Å; W793-L877 HydrophobicContact CZ3-CD2 3.8Å; W793-L877 HydrophobicContact CZ3-CG 3.76Å
794	G	89.9	Confident	90.3	Very high	55 Å²	55	22.5 Å²	22.5	57%	0.567	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.6	37.4	176.1	0	0	0	0	0	113.3	M790 T791 L792	M790-G794 PolarHBondContact O-N 3.17Å; T791-G794 WeakPolarHBondContact O-CA 3.23Å; T791-G794 PolarHBondContact O-N 3.2Å; L792-G794 PolarHBondContact O-N 2.69Å
795	V	89.3	Confident	90.2	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.018	11%	0.107	C	C	.	.			trans	-101.6	121.9	171.8	-176.7	0	0	0	0	109	M790 W793 T870 R873	M790-V795 HydrophobicContact CB-CB 4.18Å; M790-V795 HydrophobicContact CE-CB 4.31Å; M790-V795 HydrophobicContact CE-CG1 3.99Å; M790-V795 VanDerWaalsContact O-CB 3.28Å; M790-V795 WeakPolarHBondContact O-CB 3.41Å; M790-V795 PolarHBondContact O-N 3.23Å; W793-V795 PolarHBondContact O-N 3.08Å; V795-T870 HydrophobicContact CG1-CG2 3.81Å; V795-R873 HydrophobicContact CG2-CB 3.98Å; V795-R873 HydrophobicContact CG2-CG 4.45Å
796	E	85.2	Confident	90	Very high	88 Å²	88	20 Å²	20	41%	0.411	11%	0.107	S	C	.	.			trans	-77.4	152.2	176.2	-62.3	178.7	174	0	0	111.6	G572 D798 S801	G572-E796 VanDerWaalsContact CA-OE2 3.31Å; G572-E796 WeakPolarHBondContact CA-OE2 3.32Å; E796-D798 PolarHBondContact O-N 3.37Å; E796-D798 VanDerWaalsContact O-N 3.14Å; E796-S801 PolarHBondContact O-OG 2.73Å
797	M	82.8	Confident	89.8	Confident	2 Å²	2	20.6 Å²	20.6	1%	0.01	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-72.9	103.5	173.6	-69.4	-64.9	-68	0	0	110.7	V569 T570 G572 V744 P747 L787 M790 S801 V802 L805	V569-M797 HydrophobicContact CG1-CG 3.46Å; V569-M797 VanDerWaalsContact CG1-CG 3.46Å; T570-M797 PolarHBondContact O-N 3.43Å; G572-M797 PolarHBondContact N-O 3.14Å; V744-M797 HydrophobicContact CG2-CG 4.43Å; P747-M797 HydrophobicContact CG-CE 4.35Å; L787-M797 HydrophobicContact CD1-CE 4.06Å; L787-M797 HydrophobicContact CD1-SD 3.6Å; L787-M797 VanDerWaalsContact CD1-SD 3.6Å; M790-M797 HydrophobicContact CE-CG 4.21Å; M790-M797 HydrophobicContact CE-SD 3.26Å; M790-M797 WeakPolarHBondContact CE-SD 3.32Å; M790-M797 HydrophobicContact SD-SD 3.87Å; M797-S801 WeakPolarHBondContact CA-OG 3.46Å; M797-V802 HydrophobicContact CE-CG2 4.06Å; M797-L805 HydrophobicContact CE-CD1 3.79Å; M797-L805 HydrophobicContact SD-CD1 4.16Å
798	D	81.8	Confident	89.8	Confident	10 Å²	10	20.3 Å²	20.3	5%	0.053	11%	0.11	C	C	.	.			trans	-127.5	-178.9	178.5	69.8	20.3	0	0	0	110.2	L578 E796 V800 S801 V802	L578-D798 HydrophobicContact CD2-CB 4.31Å; L578-D798 VanDerWaalsContact CD2-OD2 3.24Å; L578-D798 WeakPolarHBondContact CD2-OD2 3.3Å; E796-D798 PolarHBondContact O-N 3.37Å; E796-D798 VanDerWaalsContact O-N 3.14Å; D798-V800 PolarHBondContact O-N 2.87Å; D798-V800 WeakPolarHBondContact OD1-CA 3.39Å; D798-V800 WeakPolarHBondContact OD1-CB 3.35Å; D798-V800 PolarHBondContact OD1-N 2.88Å; D798-S801 PolarHBondContact N-OG 3.13Å; D798-S801 PolarHBondContact O-OG 3.35Å; D798-S801 PolarHBondContact OD1-N 3.47Å; D798-S801 PolarHBondContact OD1-OG 3.36Å; D798-V802 WeakPolarHBondContact O-CB 3.27Å; D798-V802 VanDerWaalsContact O-CG2 3.26Å; D798-V802 WeakPolarHBondContact O-CG2 3.22Å; D798-V802 PolarHBondContact O-N 2.91Å
799	C	82.2	Confident	89.6	Confident	3 Å²	3	20.4 Å²	20.4	2%	0.02	11%	0.11	C	C	.	.	H	α-helix	trans	-64.3	-25.8	-180	59.5	0	0	0	0	113.6	M445 V448 L803	M445-C799 HydrophobicContact CE-CB 3.77Å; M445-C799 HydrophobicContact SD-CB 4.29Å; V448-C799 HydrophobicContact CG2-CB 4.21Å; C799-L803 WeakPolarHBondContact O-CB 3.46Å; C799-L803 PolarHBondContact O-N 3.47Å
800	V	88	Confident	89.3	Confident	3 Å²	3	18.1 Å²	18.1	2%	0.018	10%	0.1	C	C	.	.	H	α-helix	trans	-81.3	-41.6	-177.7	178.8	0	0	0	0	110.3	L578 D798 L803 C804 L867 T870 L871	L578-V800 HydrophobicContact CD2-CG2 3.77Å; D798-V800 PolarHBondContact O-N 2.87Å; D798-V800 WeakPolarHBondContact OD1-CA 3.39Å; D798-V800 WeakPolarHBondContact OD1-CB 3.35Å; D798-V800 PolarHBondContact OD1-N 2.88Å; V800-L803 WeakPolarHBondContact O-CB 3.3Å; V800-L803 PolarHBondContact O-N 2.73Å; V800-C804 PolarHBondContact O-N 3.05Å; V800-C804 PolarHBondContact O-SG 3.02Å; V800-L867 HydrophobicContact CG2-CD1 4.02Å; V800-L867 HydrophobicContact CG2-CG 4.21Å; V800-T870 HydrophobicContact CB-CG2 4.24Å; V800-T870 HydrophobicContact CG1-CG2 4.04Å; V800-L871 HydrophobicContact CG1-CD2 3.44Å; V800-L871 VanDerWaalsContact CG1-CD2 3.44Å; V800-L871 HydrophobicContact CG1-CG 3.61Å
801	S	89.6	Confident	89.3	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-70	-39.6	175.5	57.8	0	0	0	0	112	E796 M797 D798 L803 C804 L805	E796-S801 PolarHBondContact O-OG 2.73Å; M797-S801 WeakPolarHBondContact CA-OG 3.46Å; D798-S801 PolarHBondContact N-OG 3.13Å; D798-S801 PolarHBondContact O-OG 3.35Å; D798-S801 PolarHBondContact OD1-N 3.47Å; D798-S801 PolarHBondContact OD1-OG 3.36Å; S801-L803 PolarHBondContact O-N 3.4Å; S801-C804 PolarHBondContact O-N 2.66Å; S801-L805 WeakPolarHBondContact O-CB 3.33Å; S801-L805 WeakPolarHBondContact O-CG 3.38Å; S801-L805 PolarHBondContact O-N 2.8Å
802	V	88.8	Confident	89.3	Confident	2 Å²	2	18 Å²	18	1%	0.012	10%	0.099	C	C	.	.	H	α-helix	trans	-54.1	-43.5	168.9	163.5	0	0	0	0	111.1	V448 A743 P747 M797 D798 L805 I806	V448-V802 HydrophobicContact CG2-CG1 4.36Å; A743-V802 WeakPolarHBondContact O-CG2 3.36Å; P747-V802 HydrophobicContact CG-CB 4.38Å; P747-V802 HydrophobicContact CG-CG1 4.08Å; P747-V802 HydrophobicContact CG-CG2 3.99Å; M797-V802 HydrophobicContact CE-CG2 4.06Å; D798-V802 WeakPolarHBondContact O-CB 3.27Å; D798-V802 VanDerWaalsContact O-CG2 3.26Å; D798-V802 WeakPolarHBondContact O-CG2 3.22Å; D798-V802 PolarHBondContact O-N 2.91Å; V802-L805 WeakPolarHBondContact O-CB 3.29Å; V802-L805 PolarHBondContact O-N 3.2Å; V802-I806 HydrophobicContact CG1-CD1 4.07Å; V802-I806 WeakPolarHBondContact O-CG1 3.48Å; V802-I806 PolarHBondContact O-N 3.13Å; V802-I806 VanDerWaalsContact O-N 3.07Å
803	L	88.9	Confident	89.2	Confident	5 Å²	5	15.1 Å²	15.1	3%	0.026	8%	0.084	C	C	.	.	H	α-helix	trans	-66.6	-45.1	178.5	172.8	66.8	0	0	0	112.3	F451 C799 V800 S801 L805 I806 T807	F451-L803 HydrophobicContact CB-CD1 4.33Å; F451-L803 HydrophobicContact CB-CD2 4.3Å; F451-L803 HydrophobicContact CD1-CD1 3.03Å; F451-L803 HydrophobicContact CD1-CD2 3.63Å; F451-L803 HydrophobicContact CD1-CG 3.85Å; F451-L803 HydrophobicContact CD2-CD1 4.38Å; F451-L803 HydrophobicContact CD2-CD2 3.31Å; F451-L803 HydrophobicContact CD2-CG 4.4Å; F451-L803 HydrophobicContact CE1-CD1 3.26Å; F451-L803 HydrophobicContact CE1-CD2 3.67Å; F451-L803 HydrophobicContact CE1-CG 3.83Å; F451-L803 HydrophobicContact CE2-CD2 3.32Å; F451-L803 HydrophobicContact CE2-CG 4.35Å; F451-L803 HydrophobicContact CG-CD1 3.67Å; F451-L803 HydrophobicContact CG-CD2 3.46Å; F451-L803 VanDerWaalsContact CG-CD2 3.46Å; F451-L803 HydrophobicContact CG-CG 4.15Å; F451-L803 HydrophobicContact CZ-CD1 4.02Å; F451-L803 HydrophobicContact CZ-CD2 3.51Å; F451-L803 HydrophobicContact CZ-CG 4.07Å; C799-L803 WeakPolarHBondContact O-CB 3.46Å; C799-L803 PolarHBondContact O-N 3.47Å; V800-L803 WeakPolarHBondContact O-CB 3.3Å; V800-L803 PolarHBondContact O-N 2.73Å; S801-L803 PolarHBondContact O-N 3.4Å; L803-L805 VanDerWaalsContact C-N 3.25Å; L803-L805 PolarHBondContact O-N 3.35Å; L803-I806 PolarHBondContact O-N 2.94Å; L803-I806 VanDerWaalsContact O-N 3.09Å; L803-T807 HydrophobicContact CD1-CG2 4.38Å; L803-T807 WeakPolarHBondContact O-CG2 3.37Å; L803-T807 PolarHBondContact O-N 3.38Å; L803-T807 PolarHBondContact O-OG1 3.41Å
804	C	91.5	Very high	89.1	Confident	3 Å²	3	10 Å²	10	2%	0.02	7%	0.065	C	C	.	.	H	α-helix	trans	-59.4	-39.9	177.1	-66.6	0	0	0	0	111.4	V800 S801 T807 A808 C874 L875	V800-C804 PolarHBondContact O-N 3.05Å; V800-C804 PolarHBondContact O-SG 3.02Å; S801-C804 PolarHBondContact O-N 2.66Å; C804-T807 WeakPolarHBondContact CA-OG1 3.48Å; C804-T807 PolarHBondContact O-N 2.89Å; C804-T807 PolarHBondContact O-OG1 3.38Å; C804-A808 WeakPolarHBondContact O-CB 3.31Å; C804-A808 PolarHBondContact O-N 3.47Å; C804-C874 HydrophobicContact CB-CB 3.41Å; C804-C874 VanDerWaalsContact CB-CB 3.41Å; C804-L875 HydrophobicContact CB-CD2 4.32Å
805	L	91.1	Very high	89.1	Confident	2 Å²	2	7.4 Å²	7.4	1%	0.01	4%	0.038	C	C	.	.	H	α-helix	trans	-61.3	-40	173.6	-76.7	170.5	0	0	0	112.4	P747 Q783 V786 L787 M790 M797 S801 V802 L803 A808	P747-L805 HydrophobicContact CB-CB 4.38Å; P747-L805 HydrophobicContact CB-CD1 4.27Å; P747-L805 HydrophobicContact CG-CD1 4.25Å; Q783-L805 PolarHBondContact NE2-O 2.72Å; Q783-L805 PolarHBondContact OE1-O 3.38Å; V786-L805 HydrophobicContact CB-CD2 4.15Å; V786-L805 HydrophobicContact CG1-CD2 3.74Å; L787-L805 HydrophobicContact CB-CD2 4.13Å; L787-L805 HydrophobicContact CD1-CD1 4.02Å; M790-L805 HydrophobicContact SD-CD1 4.03Å; M790-L805 HydrophobicContact SD-CD2 4.41Å; M790-L805 HydrophobicContact SD-CG 4.31Å; M797-L805 HydrophobicContact CE-CD1 3.79Å; M797-L805 HydrophobicContact SD-CD1 4.16Å; S801-L805 WeakPolarHBondContact O-CB 3.33Å; S801-L805 WeakPolarHBondContact O-CG 3.38Å; S801-L805 PolarHBondContact O-N 2.8Å; V802-L805 WeakPolarHBondContact O-CB 3.29Å; V802-L805 PolarHBondContact O-N 3.2Å; L803-L805 VanDerWaalsContact C-N 3.25Å; L803-L805 PolarHBondContact O-N 3.35Å; L805-A808 PolarHBondContact O-N 2.63Å
806	I	89.8	Confident	89.2	Confident	1 Å²	1	7.3 Å²	7.3	1%	0.005	4%	0.037	C	C	.	.	H	α-helix	trans	-65.7	-42.9	175.1	-66.9	159.5	0	0	0	110.3	L435 A438 V448 V802 L803 A808 L809	L435-I806 HydrophobicContact CD2-CG2 3.87Å; A438-I806 HydrophobicContact CB-CD1 3.76Å; A438-I806 HydrophobicContact CB-CG2 4.14Å; V448-I806 HydrophobicContact CG1-CD1 4Å; V802-I806 HydrophobicContact CG1-CD1 4.07Å; V802-I806 WeakPolarHBondContact O-CG1 3.48Å; V802-I806 PolarHBondContact O-N 3.13Å; V802-I806 VanDerWaalsContact O-N 3.07Å; L803-I806 PolarHBondContact O-N 2.94Å; L803-I806 VanDerWaalsContact O-N 3.09Å; I806-A808 VanDerWaalsContact C-N 3.27Å; I806-A808 PolarHBondContact O-N 3Å; I806-L809 PolarHBondContact O-N 3.01Å
807	T	90	Very high	89.4	Confident	14 Å²	14	3.6 Å²	3.6	9%	0.086	2%	0.022	C	C	.	.	H	α-helix	trans	-69.1	-25.2	179.5	61	0	0	0	0	113.2	V384 L435 F451 L803 C804 L809 G810 H811	V384-T807 HydrophobicContact CG1-CG2 4.36Å; V384-T807 HydrophobicContact CG2-CG2 3.43Å; V384-T807 VanDerWaalsContact CG2-CG2 3.43Å; L435-T807 HydrophobicContact CD2-CG2 4.42Å; F451-T807 HydrophobicContact CE1-CG2 4.47Å; L803-T807 HydrophobicContact CD1-CG2 4.38Å; L803-T807 WeakPolarHBondContact O-CG2 3.37Å; L803-T807 PolarHBondContact O-N 3.38Å; L803-T807 PolarHBondContact O-OG1 3.41Å; C804-T807 WeakPolarHBondContact CA-OG1 3.48Å; C804-T807 PolarHBondContact O-N 2.89Å; C804-T807 PolarHBondContact O-OG1 3.38Å; T807-L809 VanDerWaalsContact C-N 3.31Å; T807-L809 PolarHBondContact O-N 3.15Å; T807-G810 PolarHBondContact O-N 2.86Å; T807-H811 PolarHBondContact O-N 3.3Å; T807-H811 VanDerWaalsContact O-N 3.08Å
808	A	92.4	Very high	89.7	Confident	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-63.9	-34.3	177.8	0	0	0	0	0	113	C804 L805 I806 G810 H811 S812 T878	C804-A808 WeakPolarHBondContact O-CB 3.31Å; C804-A808 PolarHBondContact O-N 3.47Å; L805-A808 PolarHBondContact O-N 2.63Å; I806-A808 VanDerWaalsContact C-N 3.27Å; I806-A808 PolarHBondContact O-N 3Å; A808-G810 VanDerWaalsContact C-N 3.35Å; A808-G810 PolarHBondContact O-N 3.04Å; A808-H811 PolarHBondContact O-N 2.97Å; A808-S812 WeakPolarHBondContact O-CB 3.01Å; A808-S812 PolarHBondContact O-N 3.39Å; A808-S812 PolarHBondContact O-OG 3.09Å; A808-T878 HydrophobicContact CB-CG2 3.63Å; A808-T878 WeakPolarHBondContact CB-OG1 3.47Å
809	L	90.5	Very high	90.1	Very high	2 Å²	2	3.4 Å²	3.4	1%	0.01	2%	0.022	C	C	.	.	H	α-helix	trans	-61.3	-43.6	175	-67.3	170.7	0	0	0	111.7	T434 L779 Q783 I806 T807 S812 A813	T434-L809 HydrophobicContact CG2-CB 4.21Å; T434-L809 HydrophobicContact CG2-CD1 4.12Å; L779-L809 HydrophobicContact CB-CD2 4.11Å; L779-L809 WeakPolarHBondContact CD2-O 3.49Å; Q783-L809 HydrophobicContact CB-CD2 4.3Å; I806-L809 PolarHBondContact O-N 3.01Å; T807-L809 VanDerWaalsContact C-N 3.31Å; T807-L809 PolarHBondContact O-N 3.15Å; L809-S812 PolarHBondContact O-OG 3.4Å; L809-S812 VanDerWaalsContact O-OG 3.06Å; L809-A813 WeakPolarHBondContact O-CB 3.34Å; L809-A813 PolarHBondContact O-N 3.05Å; L809-A813 VanDerWaalsContact O-N 3.12Å
810	G	90.6	Very high	90.5	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-66.7	-49.4	177.4	0	0	0	0	0	112.1	H431 T807 A808 S812 A813 D814	H431-G810 WeakPolarHBondContact CE1-CA 3.41Å; H431-G810 PolarHBondContact CE1-O 3.24Å; H431-G810 WeakPolarHBondContact NE2-CA 3.34Å; T807-G810 PolarHBondContact O-N 2.86Å; A808-G810 VanDerWaalsContact C-N 3.35Å; A808-G810 PolarHBondContact O-N 3.04Å; G810-S812 VanDerWaalsContact C-N 3.32Å; G810-S812 PolarHBondContact O-N 2.93Å; G810-A813 WeakPolarHBondContact O-CB 3.49Å; G810-A813 PolarHBondContact O-N 2.97Å; G810-A813 VanDerWaalsContact O-N 3.11Å; G810-D814 PolarHBondContact O-N 3.28Å
811	H	92.1	Very high	90.4	Very high	12 Å²	12	5 Å²	5	6%	0.056	3%	0.033	C	C	.	.	H	α-helix	trans	-61.8	-39.3	-179	-173.3	63.9	0	0	0	113	T807 A808 D814 C815 T878	T807-H811 PolarHBondContact O-N 3.3Å; T807-H811 VanDerWaalsContact O-N 3.08Å; A808-H811 PolarHBondContact O-N 2.97Å; H811-D814 PolarHBondContact O-N 3.48Å; H811-C815 PolarHBondContact O-N 3.41Å; H811-C815 PolarHBondContact O-SG 3.14Å; H811-T878 HydrophobicContact CB-CG2 4.07Å
812	S	92.5	Very high	90.1	Very high	3 Å²	3	5.6 Å²	5.6	2%	0.021	4%	0.039	C	C	.	.	H	α-helix	trans	-68	-36.7	175.3	53.6	0	0	0	0	112.2	L779 A808 L809 G810 C815 S816	L779-S812 WeakPolarHBondContact CD2-OG 3.34Å; A808-S812 WeakPolarHBondContact O-CB 3.01Å; A808-S812 PolarHBondContact O-N 3.39Å; A808-S812 PolarHBondContact O-OG 3.09Å; L809-S812 PolarHBondContact O-OG 3.4Å; L809-S812 VanDerWaalsContact O-OG 3.06Å; G810-S812 VanDerWaalsContact C-N 3.32Å; G810-S812 PolarHBondContact O-N 2.93Å; S812-C815 PolarHBondContact O-N 3.47Å; S812-S816 WeakPolarHBondContact O-CB 3.35Å; S812-S816 PolarHBondContact O-N 3.26Å; S812-S816 PolarHBondContact O-OG 3.39Å
813	A	91.6	Very high	90	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.008	4%	0.041	C	C	.	.	H	α-helix	trans	-63.4	-40.3	174.3	0	0	0	0	0	113	I430 L779 L809 G810 C815 G817	I430-A813 HydrophobicContact CB-CB 4.38Å; I430-A813 HydrophobicContact CD1-CB 3.77Å; I430-A813 HydrophobicContact CG2-CB 3.99Å; L779-A813 HydrophobicContact CD2-CB 3.99Å; L809-A813 WeakPolarHBondContact O-CB 3.34Å; L809-A813 PolarHBondContact O-N 3.05Å; L809-A813 VanDerWaalsContact O-N 3.12Å; G810-A813 WeakPolarHBondContact O-CB 3.49Å; G810-A813 PolarHBondContact O-N 2.97Å; G810-A813 VanDerWaalsContact O-N 3.11Å; A813-C815 VanDerWaalsContact C-N 3.35Å; A813-C815 PolarHBondContact O-N 3.14Å; A813-G817 WeakPolarHBondContact O-CA 3.46Å; A813-G817 PolarHBondContact O-N 3.47Å
814	D	91.8	Very high	89.6	Confident	1 Å²	1	7.1 Å²	7.1	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-57.6	-49.2	174.5	-80	-22.9	0	0	0	110.5	H388 F391 S427 H431 G810 H811 P818	H388-D814 WeakPolarHBondContact CA-OD2 3.36Å; H388-D814 IonicContact CE1-OD1 3.7Å; H388-D814 IonicContact CG-OD2 3.82Å; H388-D814 IonicContact ND1-OD1 2.84Å; H388-D814 PolarHBondContact ND1-OD1 3.16Å; H388-D814 IonicContact ND1-OD2 2.66Å; H388-D814 PolarHBondContact ND1-OD2 3.16Å; F391-D814 HydrophobicContact CB-CB 4.4Å; F391-D814 HydrophobicContact CD1-CB 3.8Å; F391-D814 HydrophobicContact CD2-CB 4.33Å; F391-D814 HydrophobicContact CE1-CB 4.25Å; F391-D814 WeakPolarHBondContact CE1-O 3.15Å; F391-D814 VanDerWaalsContact CE2-O 3.31Å; F391-D814 WeakPolarHBondContact CE2-O 3.3Å; F391-D814 HydrophobicContact CG-CB 3.87Å; F391-D814 WeakPolarHBondContact CZ-O 3.43Å; S427-D814 WeakPolarHBondContact CB-OD1 3.33Å; S427-D814 WeakPolarHBondContact OG-CA 3.49Å; S427-D814 PolarHBondContact OG-N 3.49Å; S427-D814 PolarHBondContact OG-OD1 2.96Å; H431-D814 VanDerWaalsContact CE1-CG 3.5Å; H431-D814 IonicContact CE1-OD1 3.35Å; H431-D814 PolarHBondContact CE1-OD1 3.19Å; H431-D814 IonicContact CE1-OD2 2.8Å; H431-D814 PolarHBondContact CE1-OD2 3.36Å; H431-D814 IonicContact ND1-OD1 2.9Å; H431-D814 IonicContact NE2-OD2 3.69Å; G810-D814 PolarHBondContact O-N 3.28Å; H811-D814 PolarHBondContact O-N 3.48Å; D814-P818 WeakPolarHBondContact O-CD 3.5Å
815	C	90.5	Very high	88.9	Confident	1 Å²	1	10.8 Å²	10.8	1%	0.007	7%	0.074	C	C	.	.	H	α-helix	trans	-74.1	-34.8	-173.4	-60	0	0	0	0	113.2	H811 S812 A813 S846 T886	H811-C815 PolarHBondContact O-N 3.41Å; H811-C815 PolarHBondContact O-SG 3.14Å; S812-C815 PolarHBondContact O-N 3.47Å; A813-C815 VanDerWaalsContact C-N 3.35Å; A813-C815 PolarHBondContact O-N 3.14Å; C815-S846 PolarHBondContact O-OG 2.99Å; C815-T886 HydrophobicContact CB-CG2 3.33Å
816	S	91.9	Very high	88.1	Confident	1 Å²	1	11 Å²	11	1%	0.007	8%	0.077	C	C	.	.	H	α-helix	trans	-101.5	-30.4	-171	71.1	0	0	0	0	114.5	L775 S812 L819 L820	L775-S816 VanDerWaalsContact CD1-OG 3.23Å; L775-S816 WeakPolarHBondContact CD1-OG 3.43Å; S812-S816 WeakPolarHBondContact O-CB 3.35Å; S812-S816 PolarHBondContact O-N 3.26Å; S812-S816 PolarHBondContact O-OG 3.39Å; S816-L819 PolarHBondContact O-N 3.12Å; S816-L820 PolarHBondContact O-N 3.48Å; S816-L820 VanDerWaalsContact O-N 3.11Å
817	G	90	Very high	87	Confident	9 Å²	9	19.8 Å²	19.8	9%	0.093	11%	0.11	C	C	.	.	H	α-helix	trans	-60.4	-52.3	-174.8	0	0	0	0	0	113.4	A813 L819 L820 C821	A813-G817 WeakPolarHBondContact O-CA 3.46Å; A813-G817 PolarHBondContact O-N 3.47Å; G817-L819 VanDerWaalsContact C-N 3.31Å; G817-L819 PolarHBondContact O-N 2.85Å; G817-L820 PolarHBondContact O-N 3Å; G817-C821 PolarHBondContact O-N 2.98Å; G817-C821 PolarHBondContact O-SG 3.42Å; G817-C821 VanDerWaalsContact O-SG 3.4Å
818	P	89.2	Confident	85.8	Confident	4 Å²	4	20.7 Å²	20.7	3%	0.026	12%	0.123	C	C	.	.	H	α-helix	trans	-62.4	-35.6	179.1	-30.9	43.2	0	0	0	113.5	F391 R423 D814 C821 G822 H842	F391-P818 HydrophobicContact CE1-CG 4.08Å; F391-P818 HydrophobicContact CZ-CB 4.48Å; F391-P818 HydrophobicContact CZ-CG 3.78Å; R423-P818 HydrophobicContact CB-CG 4.35Å; D814-P818 WeakPolarHBondContact O-CD 3.5Å; P818-C821 PolarHBondContact O-N 3.4Å; P818-G822 PolarHBondContact O-N 3.23Å; P818-H842 HydrophobicContact CB-CB 4.28Å; P818-H842 PolarHBondContact O-CD2 3.3Å
819	L	89.4	Confident	84.4	Confident	4 Å²	4	26.7 Å²	26.7	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-61.9	-45.2	174.2	-175.2	145.8	0	0	0	111.6	S816 G817 G822 F823 A838 L839 H842 L890 P891 L894	S816-L819 PolarHBondContact O-N 3.12Å; G817-L819 VanDerWaalsContact C-N 3.31Å; G817-L819 PolarHBondContact O-N 2.85Å; L819-G822 PolarHBondContact O-N 3.01Å; L819-F823 PolarHBondContact O-N 3.47Å; L819-A838 HydrophobicContact CG-CB 4.36Å; L819-L839 HydrophobicContact CD1-CD2 3.76Å; L819-L839 HydrophobicContact CD1-CG 4.18Å; L819-H842 HydrophobicContact CB-CB 4.47Å; L819-L890 HydrophobicContact CD2-CD2 4.1Å; L819-L890 HydrophobicContact CD2-CG 4.27Å; L819-P891 HydrophobicContact CD1-CG 4.44Å; L819-L894 HydrophobicContact CD2-CD1 3.94Å
820	L	89.6	Confident	83.5	Confident	4 Å²	4	29.6 Å²	29.6	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-64.3	-43.7	176.2	-77.4	166	0	0	0	112.7	V771 W774 L775 S816 G817 G822 F823 A824 L890 L894	V771-L820 HydrophobicContact CG1-CB 4.09Å; W774-L820 HydrophobicContact CB-CD1 4.2Å; W774-L820 HydrophobicContact CB-CD2 3.82Å; L775-L820 HydrophobicContact CB-CD1 3.85Å; L775-L820 HydrophobicContact CD1-CD1 4.2Å; S816-L820 PolarHBondContact O-N 3.48Å; S816-L820 VanDerWaalsContact O-N 3.11Å; G817-L820 PolarHBondContact O-N 3Å; L820-G822 VanDerWaalsContact C-N 3.31Å; L820-G822 PolarHBondContact O-N 2.97Å; L820-F823 PolarHBondContact O-N 3.15Å; L820-A824 WeakPolarHBondContact O-CB 3.41Å; L820-A824 PolarHBondContact O-N 3.02Å; L820-L890 HydrophobicContact CD1-CD2 4Å; L820-L890 HydrophobicContact CD2-CD1 4Å; L820-L890 HydrophobicContact CD2-CD2 4.2Å; L820-L890 HydrophobicContact CD2-CG 4.29Å; L820-L890 HydrophobicContact CG-CD1 4.5Å; L820-L890 HydrophobicContact CG-CD2 3.84Å; L820-L890 HydrophobicContact CG-CG 4.46Å; L820-L894 HydrophobicContact CD2-CD1 3.89Å; L820-L894 HydrophobicContact CD2-CD2 3.84Å; L820-L894 HydrophobicContact CD2-CG 4.38Å
821	C	85.9	Confident	82.8	Confident	37 Å²	37	35.3 Å²	35.3	25%	0.25	19%	0.193	C	C	.	.	H	α-helix	trans	-62	-39.9	175.7	-72.3	0	0	0	0	111.8	R423 G817 P818 S825	R423-C821 HydrophobicContact CG-CB 4.39Å; G817-C821 PolarHBondContact O-N 2.98Å; G817-C821 PolarHBondContact O-SG 3.42Å; G817-C821 VanDerWaalsContact O-SG 3.4Å; P818-C821 PolarHBondContact O-N 3.4Å; C821-S825 WeakPolarHBondContact O-CB 3.21Å; C821-S825 PolarHBondContact O-N 3.08Å; C821-S825 PolarHBondContact O-OG 3.4Å
822	G	84.2	Confident	82.3	Confident	12 Å²	12	37.1 Å²	37.1	12%	0.124	21%	0.205	C	C	.	.	H	α-helix	trans	-63.1	-45.6	175.5	0	0	0	0	0	112.3	P818 L819 L820 S825	P818-G822 PolarHBondContact O-N 3.23Å; L819-G822 PolarHBondContact O-N 3.01Å; L820-G822 VanDerWaalsContact C-N 3.31Å; L820-G822 PolarHBondContact O-N 2.97Å; G822-S825 PolarHBondContact O-N 3.5Å
823	F	85.6	Confident	81.8	Confident	17 Å²	17	43.9 Å²	43.9	8%	0.075	23%	0.23	C	C	.	.	H	α-helix	trans	-62.4	-46.8	175.3	175.1	-100.7	0	0	0	112.3	L819 L820 S825 G826 W834 V835 A838 L894	L819-F823 PolarHBondContact O-N 3.47Å; L820-F823 PolarHBondContact O-N 3.15Å; F823-S825 VanDerWaalsContact C-N 3.28Å; F823-S825 PolarHBondContact O-N 3.12Å; F823-G826 PolarHBondContact O-N 3.23Å; F823-G826 VanDerWaalsContact O-N 3.13Å; F823-W834 HydrophobicContact CD2-CB 4.12Å; F823-W834 HydrophobicContact CE2-CB 4.39Å; F823-V835 HydrophobicContact CD2-CG2 3.76Å; F823-V835 HydrophobicContact CE2-CG2 3.68Å; F823-A838 HydrophobicContact CB-CB 4.47Å; F823-L894 HydrophobicContact CB-CD1 4.29Å; F823-L894 HydrophobicContact CD1-CD1 4.2Å; F823-L894 HydrophobicContact CD1-CD2 3.96Å; F823-L894 HydrophobicContact CD1-CG 4.47Å; F823-L894 HydrophobicContact CE1-CB 4.33Å; F823-L894 HydrophobicContact CE1-CD2 3.92Å; F823-L894 HydrophobicContact CE2-CB 4.28Å; F823-L894 HydrophobicContact CG-CD1 4.09Å; F823-L894 HydrophobicContact CZ-CB 4.17Å
824	A	81.3	Confident	81.4	Confident	21 Å²	21	46.4 Å²	46.4	17%	0.174	24%	0.239	C	C	.	.	H	α-helix	trans	-67.6	-27.3	-178.3	0	0	0	0	0	113.5	V771 L820 G826	V771-A824 HydrophobicContact CG2-CB 3.32Å; L820-A824 WeakPolarHBondContact O-CB 3.41Å; L820-A824 PolarHBondContact O-N 3.02Å; A824-G826 PolarHBondContact O-N 3.49Å
825	S	77.8	Confident	81.2	Confident	80 Å²	80	46.5 Å²	46.5	56%	0.559	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-11.6	175.4	-59.3	0	0	0	0	113.4	C821 G822 F823	C821-S825 WeakPolarHBondContact O-CB 3.21Å; C821-S825 PolarHBondContact O-N 3.08Å; C821-S825 PolarHBondContact O-OG 3.4Å; G822-S825 PolarHBondContact O-N 3.5Å; F823-S825 VanDerWaalsContact C-N 3.28Å; F823-S825 PolarHBondContact O-N 3.12Å
826	G	73.3	Confident	80.9	Confident	7 Å²	7	48.2 Å²	48.2	7%	0.072	25%	0.248	C	C	.	.			trans	-67.8	134.5	-178.7	0	0	0	0	0	113.7	F823 A824 W834	F823-G826 PolarHBondContact O-N 3.23Å; F823-G826 VanDerWaalsContact O-N 3.13Å; A824-G826 PolarHBondContact O-N 3.49Å; G826-W834 VanDerWaalsContact CA-CD2 3.5Å; G826-W834 VanDerWaalsContact CA-CE3 3.44Å; G826-W834 VanDerWaalsContact CA-CZ3 3.48Å
827	R	67.3	Low	80.6	Confident	185 Å²	185	50.2 Å²	50.2	70%	0.698	26%	0.258	S	S	*	.			trans	-124.9	130.3	176	-61.9	-174.3	-177.6	-167.7	2.6	110	W834	R827-W834 VanDerWaalsContact N-CZ2 3.33Å; R827-W834 VanDerWaalsContact O-CZ2 3.31Å; R827-W834 WeakPolarHBondContact O-CZ2 3.34Å
828	G	65.1	Low	80.5	Confident	34 Å²	34	50 Å²	50	35%	0.351	26%	0.255	S	S	.	.	S	Bend	trans	79.5	-175.5	-179	0	0	0	0	0	114.2	W834	G828-W834 PolarHBondContact O-NE1 3.01Å
829	E	61.6	Low	80.4	Confident	125 Å²	125	49.9 Å²	49.9	58%	0.584	25%	0.254	S	S	*	.	S	Bend	trans	44.6	172.3	176.3	-82.2	-148.2	-152.2	0	0	120.3	R833	E829-R833 IonicContact OE1-CZ 3.56Å; E829-R833 IonicContact OE1-NH1 3.5Å; E829-R833 PolarHBondContact OE1-NH1 2.69Å; E829-R833 WeakPolarHBondContact OE2-CD 3.47Å; E829-R833 IonicContact OE2-CZ 3.61Å; E829-R833 IonicContact OE2-NE 3.55Å; E829-R833 IonicContact OE2-NH1 2.8Å; E829-R833 PolarHBondContact OE2-NH1 3.35Å
830	S	72.5	Confident	80.1	Confident	64 Å²	64	51 Å²	51	45%	0.448	26%	0.26	S	S	.	.			trans	-62.1	144.3	-170.7	70.5	0	0	0	0	113.3	T832 R833	S830-T832 VanDerWaalsContact C-N 3.27Å; S830-T832 PolarHBondContact O-N 3.34Å; S830-T832 PolarHBondContact OG-OG1 2.9Å; S830-R833 WeakPolarHBondContact O-CB 3.48Å; S830-R833 PolarHBondContact O-N 3.13Å; S830-R833 VanDerWaalsContact O-N 3.1Å
831	R	75.6	Confident	79.9	Confident	120 Å²	120	55.5 Å²	55.5	45%	0.453	28%	0.276	S	S	.	.	H	α-helix	trans	-51.4	-42.8	-177.9	-72.6	171.4	-89.6	-175.1	-8.9	113.8	R833 W834 V835 L897 P899	R831-R833 VanDerWaalsContact C-N 3.32Å; R831-R833 PolarHBondContact O-N 3.38Å; R831-W834 PolarHBondContact O-N 3.24Å; R831-V835 PolarHBondContact O-N 3.41Å; R831-L897 WeakPolarHBondContact CD-O 3.46Å; R831-P899 HydrophobicContact CG-CG 4Å
832	T	81.2	Confident	80.1	Confident	50 Å²	50	53.9 Å²	53.9	31%	0.307	27%	0.265	S	S	.	.	H	α-helix	trans	-65.1	-36.6	-177.7	44.4	0	0	0	0	111.8	S830 W834 V835 H836 T895	S830-T832 VanDerWaalsContact C-N 3.27Å; S830-T832 PolarHBondContact O-N 3.34Å; S830-T832 PolarHBondContact OG-OG1 2.9Å; T832-W834 PolarHBondContact O-N 2.93Å; T832-V835 PolarHBondContact O-N 2.84Å; T832-H836 WeakPolarHBondContact O-CB 3.34Å; T832-H836 PolarHBondContact O-N 2.84Å; T832-T895 HydrophobicContact CG2-CG2 4.39Å
833	R	82.9	Confident	80.2	Confident	144 Å²	144	53.5 Å²	53.5	54%	0.543	26%	0.261	S	S	.	.	H	α-helix	trans	-64.3	-41.1	178.9	-171.8	176.8	178.7	174.6	-2.8	112.4	E829 S830 R831 H836 L837	E829-R833 IonicContact OE1-CZ 3.56Å; E829-R833 IonicContact OE1-NH1 3.5Å; E829-R833 PolarHBondContact OE1-NH1 2.69Å; E829-R833 WeakPolarHBondContact OE2-CD 3.47Å; E829-R833 IonicContact OE2-CZ 3.61Å; E829-R833 IonicContact OE2-NE 3.55Å; E829-R833 IonicContact OE2-NH1 2.8Å; E829-R833 PolarHBondContact OE2-NH1 3.35Å; S830-R833 WeakPolarHBondContact O-CB 3.48Å; S830-R833 PolarHBondContact O-N 3.13Å; S830-R833 VanDerWaalsContact O-N 3.1Å; R831-R833 VanDerWaalsContact C-N 3.32Å; R831-R833 PolarHBondContact O-N 3.38Å; R833-H836 PolarHBondContact O-N 2.94Å; R833-L837 WeakPolarHBondContact O-CB 3.49Å; R833-L837 PolarHBondContact O-N 2.68Å
834	W	83.9	Confident	80.3	Confident	54 Å²	54	53 Å²	53	21%	0.205	26%	0.259	C	S	.	.	H	α-helix	trans	-71.3	-35.7	178.6	-76	107.1	0	0	0	113.1	F823 G826 R827 G828 R831 T832 L837 A838	F823-W834 HydrophobicContact CD2-CB 4.12Å; F823-W834 HydrophobicContact CE2-CB 4.39Å; G826-W834 VanDerWaalsContact CA-CD2 3.5Å; G826-W834 VanDerWaalsContact CA-CE3 3.44Å; G826-W834 VanDerWaalsContact CA-CZ3 3.48Å; R827-W834 VanDerWaalsContact N-CZ2 3.33Å; R827-W834 VanDerWaalsContact O-CZ2 3.31Å; R827-W834 WeakPolarHBondContact O-CZ2 3.34Å; G828-W834 PolarHBondContact O-NE1 3.01Å; R831-W834 PolarHBondContact O-N 3.24Å; T832-W834 PolarHBondContact O-N 2.93Å; W834-L837 HydrophobicContact CE3-CD2 3.85Å; W834-L837 HydrophobicContact CH2-CD2 4.39Å; W834-L837 HydrophobicContact CZ3-CD2 3.6Å; W834-L837 PolarHBondContact O-N 3.44Å; W834-A838 VanDerWaalsContact O-CB 3.27Å; W834-A838 WeakPolarHBondContact O-CB 3.39Å; W834-A838 PolarHBondContact O-N 3.02Å
835	V	86.5	Confident	80.7	Confident	3 Å²	3	52 Å²	52	2%	0.018	25%	0.25	C	S	.	.	H	α-helix	trans	-63.6	-45.2	172.1	172.5	0	0	0	0	110.6	T543 F823 R831 T832 A838 L839 P891 L894 T895	T543-V835 HydrophobicContact CG2-CB 4.45Å; T543-V835 HydrophobicContact CG2-CG1 4.14Å; F823-V835 HydrophobicContact CD2-CG2 3.76Å; F823-V835 HydrophobicContact CE2-CG2 3.68Å; R831-V835 PolarHBondContact O-N 3.41Å; T832-V835 PolarHBondContact O-N 2.84Å; V835-A838 PolarHBondContact O-N 3.32Å; V835-L839 HydrophobicContact CG1-CD1 4.16Å; V835-L839 WeakPolarHBondContact O-CB 3.31Å; V835-L839 PolarHBondContact O-N 3.42Å; V835-P891 HydrophobicContact CG1-CB 3.69Å; V835-L894 HydrophobicContact CG2-CB 4.02Å; V835-T895 HydrophobicContact CB-CG2 4.36Å; V835-T895 HydrophobicContact CG1-CG2 4.39Å; V835-T895 HydrophobicContact CG2-CG2 3.99Å
836	H	84.8	Confident	81.3	Confident	38 Å²	38	48.2 Å²	48.2	18%	0.176	22%	0.224	C	C	.	.	H	α-helix	trans	-58.7	-48.5	175.7	-175.3	-74.4	0	0	0	111.7	R535 G539 D540 T832 R833 A838 L839 E840	R535-H836 PolarHBondContact O-NE2 2.97Å; G539-H836 VanDerWaalsContact C-CD2 3.45Å; D540-H836 IonicContact OD1-CD2 2.69Å; D540-H836 PolarHBondContact OD1-CD2 3.4Å; D540-H836 IonicContact OD1-NE2 3.22Å; D540-H836 PolarHBondContact OD1-NE2 2.72Å; T832-H836 WeakPolarHBondContact O-CB 3.34Å; T832-H836 PolarHBondContact O-N 2.84Å; R833-H836 PolarHBondContact O-N 2.94Å; H836-A838 PolarHBondContact O-N 3.13Å; H836-L839 WeakPolarHBondContact O-CB 3.39Å; H836-L839 PolarHBondContact O-N 3.01Å; H836-E840 PolarHBondContact O-N 3.35Å
837	L	84.6	Confident	82.1	Confident	43 Å²	43	49.8 Å²	49.8	23%	0.225	23%	0.23	C	C	.	.	H	α-helix	trans	-64.7	-37.6	178.3	-174.4	64.8	0	0	0	113	R833 W834 E840 R841	R833-L837 WeakPolarHBondContact O-CB 3.49Å; R833-L837 PolarHBondContact O-N 2.68Å; W834-L837 HydrophobicContact CE3-CD2 3.85Å; W834-L837 HydrophobicContact CH2-CD2 4.39Å; W834-L837 HydrophobicContact CZ3-CD2 3.6Å; W834-L837 PolarHBondContact O-N 3.44Å; L837-E840 PolarHBondContact O-N 2.85Å; L837-R841 HydrophobicContact CD1-CG 4.48Å; L837-R841 WeakPolarHBondContact O-CB 3.07Å; L837-R841 WeakPolarHBondContact O-CG 3.31Å; L837-R841 PolarHBondContact O-N 2.62Å
838	A	87.7	Confident	83.2	Confident	3 Å²	3	41.1 Å²	41.1	3%	0.025	20%	0.198	C	C	.	.	H	α-helix	trans	-67.2	-40.8	176.3	0	0	0	0	0	111.6	L819 F823 W834 V835 H836 R841 H842	L819-A838 HydrophobicContact CG-CB 4.36Å; F823-A838 HydrophobicContact CB-CB 4.47Å; W834-A838 VanDerWaalsContact O-CB 3.27Å; W834-A838 WeakPolarHBondContact O-CB 3.39Å; W834-A838 PolarHBondContact O-N 3.02Å; V835-A838 PolarHBondContact O-N 3.32Å; H836-A838 PolarHBondContact O-N 3.13Å; A838-R841 PolarHBondContact O-N 3.08Å; A838-H842 WeakPolarHBondContact O-CB 3.33Å; A838-H842 PolarHBondContact O-N 3.15Å
839	L	87.7	Confident	84.6	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.01	18%	0.181	C	C	.	.	I	π-helix	trans	-62.6	-41	173.1	-84	168.3	0	0	0	112.1	I542 L819 V835 H836 G843 P891	I542-L839 HydrophobicContact CG2-CD1 3.76Å; L819-L839 HydrophobicContact CD1-CD2 3.76Å; L819-L839 HydrophobicContact CD1-CG 4.18Å; V835-L839 HydrophobicContact CG1-CD1 4.16Å; V835-L839 WeakPolarHBondContact O-CB 3.31Å; V835-L839 PolarHBondContact O-N 3.42Å; H836-L839 WeakPolarHBondContact O-CB 3.39Å; H836-L839 PolarHBondContact O-N 3.01Å; L839-G843 WeakPolarHBondContact O-CA 3.45Å; L839-G843 PolarHBondContact O-N 3.08Å; L839-P891 HydrophobicContact CD1-CB 3.92Å; L839-P891 HydrophobicContact CD1-CG 4.08Å; L839-P891 HydrophobicContact CD2-CG 3.84Å; L839-P891 HydrophobicContact CG-CB 4.42Å; L839-P891 HydrophobicContact CG-CG 4.15Å
840	E	84.1	Confident	86.1	Confident	29 Å²	29	33.9 Å²	33.9	14%	0.136	16%	0.155	C	C	.	.	I	π-helix	trans	-65.5	-43.4	177.5	-166.6	-170.3	161.3	0	0	111.7	L531 R535 H836 L837 I844	L531-E840 HydrophobicContact CD1-CG 3.99Å; R535-E840 IonicContact CZ-OE1 3.19Å; R535-E840 IonicContact NE-OE1 3.36Å; R535-E840 IonicContact NH1-OE1 2.7Å; R535-E840 PolarHBondContact NH1-OE1 2.77Å; R535-E840 IonicContact NH1-OE2 2.83Å; R535-E840 PolarHBondContact NH1-OE2 3.5Å; H836-E840 PolarHBondContact O-N 3.35Å; L837-E840 PolarHBondContact O-N 2.85Å; E840-I844 WeakPolarHBondContact O-CD1 3.45Å
841	R	85.3	Confident	87	Confident	98 Å²	98	33.6 Å²	33.6	37%	0.37	15%	0.151	S	C	.	.	I	π-helix	trans	-74.3	-44.2	-176.7	-71.3	178.9	-177.7	-170.9	0.7	113.3	S398 L837 A838	S398-R841 PolarHBondContact OG-O 3.47Å; L837-R841 HydrophobicContact CD1-CG 4.48Å; L837-R841 WeakPolarHBondContact O-CB 3.07Å; L837-R841 WeakPolarHBondContact O-CG 3.31Å; L837-R841 PolarHBondContact O-N 2.62Å; A838-R841 PolarHBondContact O-N 3.08Å
842	H	88.6	Confident	87.9	Confident	3 Å²	3	27.9 Å²	27.9	1%	0.014	13%	0.129	C	C	.	.	I	π-helix	trans	-116.8	-24.4	-168.2	-56.9	-62	0	0	0	113.4	E395 P818 L819 A838 I844 P845 S846	E395-H842 IonicContact OE1-CE1 3.72Å; E395-H842 PolarHBondContact OE1-CE1 3.44Å; E395-H842 IonicContact OE1-CG 3.2Å; E395-H842 IonicContact OE1-ND1 2.81Å; E395-H842 PolarHBondContact OE1-ND1 2.97Å; E395-H842 IonicContact OE2-ND1 3.98Å; P818-H842 HydrophobicContact CB-CB 4.28Å; P818-H842 PolarHBondContact O-CD2 3.3Å; L819-H842 HydrophobicContact CB-CB 4.47Å; A838-H842 WeakPolarHBondContact O-CB 3.33Å; A838-H842 PolarHBondContact O-N 3.15Å; H842-I844 PolarHBondContact O-N 3.4Å; H842-P845 WeakPolarHBondContact O-CD 3.29Å; H842-S846 PolarHBondContact O-N 3.08Å; H842-S846 PolarHBondContact O-OG 3.12Å; H842-S846 VanDerWaalsContact O-OG 3.1Å
843	G	87.3	Confident	88.5	Confident	3 Å²	3	25.9 Å²	25.9	3%	0.031	12%	0.116	C	C	.	.	I	π-helix	trans	-69.6	-31.7	179.3	0	0	0	0	0	113.5	L839 S846 L847	L839-G843 WeakPolarHBondContact O-CA 3.45Å; L839-G843 PolarHBondContact O-N 3.08Å; G843-S846 PolarHBondContact O-N 3.39Å; G843-L847 WeakPolarHBondContact O-CB 3.44Å; G843-L847 PolarHBondContact O-N 3.24Å
844	I	86.2	Confident	89	Confident	7 Å²	7	21.1 Å²	21.1	4%	0.036	11%	0.105	C	C	.	.	H	α-helix	trans	-70.2	-48.7	179.6	-65.5	165.7	0	0	0	112.2	L531 V534 E840 H842 S846 L847 Q848	L531-I844 HydrophobicContact CB-CD1 3.84Å; L531-I844 HydrophobicContact CD1-CD1 3.09Å; L531-I844 HydrophobicContact CG-CD1 3.99Å; V534-I844 HydrophobicContact CB-CD1 4.17Å; V534-I844 HydrophobicContact CB-CG1 4.02Å; V534-I844 HydrophobicContact CG1-CD1 4.22Å; V534-I844 HydrophobicContact CG1-CG1 3.96Å; V534-I844 HydrophobicContact CG2-CG1 4.11Å; E840-I844 WeakPolarHBondContact O-CD1 3.45Å; H842-I844 PolarHBondContact O-N 3.4Å; I844-S846 VanDerWaalsContact C-N 3.28Å; I844-S846 PolarHBondContact O-N 3.46Å; I844-L847 PolarHBondContact O-N 3.06Å; I844-L847 VanDerWaalsContact O-N 3.16Å; I844-Q848 HydrophobicContact CG2-CG 4.43Å; I844-Q848 WeakPolarHBondContact O-CG 3.12Å; I844-Q848 PolarHBondContact O-N 3.44Å
845	P	89.8	Confident	89.4	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-54.8	-42.6	170.6	-31.8	40	0	0	0	113.3	F394 E395 H842 L847 Q848 T849	F394-P845 HydrophobicContact CB-CB 4.1Å; E395-P845 HydrophobicContact CB-CB 4.34Å; E395-P845 WeakPolarHBondContact OE2-CB 3.45Å; E395-P845 VanDerWaalsContact OE2-CG 3.29Å; E395-P845 WeakPolarHBondContact OE2-CG 3.41Å; H842-P845 WeakPolarHBondContact O-CD 3.29Å; P845-L847 PolarHBondContact O-N 2.89Å; P845-Q848 PolarHBondContact O-N 2.99Å; P845-T849 WeakPolarHBondContact O-CB 3.5Å; P845-T849 PolarHBondContact O-N 2.88Å; P845-T849 PolarHBondContact O-OG1 3.16Å
846	S	91.4	Very high	89.8	Confident	1 Å²	1	19.2 Å²	19.2	1%	0.007	10%	0.101	C	C	.	.	H	α-helix	trans	-59.9	-46.3	174.6	-62.2	0	0	0	0	111.4	C815 H842 G843 I844 T849 L850	C815-S846 PolarHBondContact O-OG 2.99Å; H842-S846 PolarHBondContact O-N 3.08Å; H842-S846 PolarHBondContact O-OG 3.12Å; H842-S846 VanDerWaalsContact O-OG 3.1Å; G843-S846 PolarHBondContact O-N 3.39Å; I844-S846 VanDerWaalsContact C-N 3.28Å; I844-S846 PolarHBondContact O-N 3.46Å; S846-T849 WeakPolarHBondContact O-CB 3.29Å; S846-T849 PolarHBondContact O-N 3.21Å; S846-L850 WeakPolarHBondContact O-CB 3.4Å; S846-L850 WeakPolarHBondContact O-CD1 3.38Å; S846-L850 VanDerWaalsContact O-CG 3.25Å; S846-L850 WeakPolarHBondContact O-CG 3.48Å; S846-L850 PolarHBondContact O-N 3.3Å
847	L	90.3	Very high	90.2	Very high	39 Å²	39	17.4 Å²	17.4	20%	0.204	9%	0.092	C	C	.	.	H	α-helix	trans	-63.5	-43.8	177.9	-178.2	63.4	0	0	0	112.5	L530 V534 G843 I844 P845 T849 L850 V851 L887	L530-L847 HydrophobicContact CD2-CD2 3.92Å; V534-L847 HydrophobicContact CG2-CD2 4.25Å; G843-L847 WeakPolarHBondContact O-CB 3.44Å; G843-L847 PolarHBondContact O-N 3.24Å; I844-L847 PolarHBondContact O-N 3.06Å; I844-L847 VanDerWaalsContact O-N 3.16Å; P845-L847 PolarHBondContact O-N 2.89Å; L847-T849 VanDerWaalsContact C-N 3.29Å; L847-T849 PolarHBondContact O-N 2.98Å; L847-L850 PolarHBondContact O-N 2.65Å; L847-V851 HydrophobicContact CD1-CG2 4.24Å; L847-V851 WeakPolarHBondContact O-CB 3.33Å; L847-V851 VanDerWaalsContact O-CG2 3.28Å; L847-V851 WeakPolarHBondContact O-CG2 3.39Å; L847-V851 PolarHBondContact O-N 2.99Å; L847-L887 HydrophobicContact CD1-CD1 3.94Å
848	Q	91.1	Very high	90.6	Very high	3 Å²	3	19.8 Å²	19.8	1%	0.014	11%	0.109	C	C	.	.	H	α-helix	trans	-59.9	-42.3	176.2	-72.4	176.4	-38.2	0	0	111.4	C335 F394 H528 L530 I844 P845 C852	C335-Q848 HydrophobicContact CB-CB 4.36Å; C335-Q848 HydrophobicContact CB-CG 4.11Å; C335-Q848 PolarHBondContact O-NE2 3.39Å; F394-Q848 HydrophobicContact CD1-CB 4.37Å; F394-Q848 HydrophobicContact CD2-CB 3.81Å; F394-Q848 HydrophobicContact CE2-CB 4.01Å; F394-Q848 HydrophobicContact CG-CB 4.01Å; F394-Q848 HydrophobicContact CZ-CB 4.39Å; H528-Q848 PolarHBondContact CE1-NE2 3.27Å; H528-Q848 VanDerWaalsContact CE1-NE2 3.28Å; H528-Q848 PolarHBondContact NE2-NE2 3.39Å; L530-Q848 HydrophobicContact CD1-CG 4.11Å; I844-Q848 HydrophobicContact CG2-CG 4.43Å; I844-Q848 WeakPolarHBondContact O-CG 3.12Å; I844-Q848 PolarHBondContact O-N 3.44Å; P845-Q848 PolarHBondContact O-N 2.99Å; Q848-C852 WeakPolarHBondContact O-CB 3.39Å; Q848-C852 PolarHBondContact O-N 2.82Å; Q848-C852 PolarHBondContact O-SG 3.27Å
849	T	93	Very high	90.9	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	11%	0.114	C	C	.	.	H	α-helix	trans	-62.2	-50.5	175.8	-53.4	0	0	0	0	111	G387 L390 F391 F394 P845 S846 L847 V851 C852 Y853	G387-T849 WeakPolarHBondContact O-CG2 3.42Å; L390-T849 HydrophobicContact CB-CG2 4.35Å; F391-T849 VanDerWaalsContact CA-OG1 3.32Å; F391-T849 WeakPolarHBondContact CA-OG1 3.29Å; F391-T849 HydrophobicContact CB-CG2 3.98Å; F394-T849 WeakPolarHBondContact CD2-OG1 3.26Å; P845-T849 WeakPolarHBondContact O-CB 3.5Å; P845-T849 PolarHBondContact O-N 2.88Å; P845-T849 PolarHBondContact O-OG1 3.16Å; S846-T849 WeakPolarHBondContact O-CB 3.29Å; S846-T849 PolarHBondContact O-N 3.21Å; L847-T849 VanDerWaalsContact C-N 3.29Å; L847-T849 PolarHBondContact O-N 2.98Å; T849-V851 VanDerWaalsContact C-N 3.3Å; T849-V851 PolarHBondContact O-N 2.79Å; T849-C852 PolarHBondContact O-N 3.17Å; T849-Y853 WeakPolarHBondContact O-CB 3.33Å; T849-Y853 PolarHBondContact O-N 3.41Å
850	L	92.8	Very high	91.1	Very high	7 Å²	7	20.9 Å²	20.9	4%	0.037	12%	0.115	C	C	.	.	H	α-helix	trans	-60.1	-39.8	-179.3	-74	163.8	0	0	0	112.1	S846 L847 S854 A879 A883	S846-L850 WeakPolarHBondContact O-CB 3.4Å; S846-L850 WeakPolarHBondContact O-CD1 3.38Å; S846-L850 VanDerWaalsContact O-CG 3.25Å; S846-L850 WeakPolarHBondContact O-CG 3.48Å; S846-L850 PolarHBondContact O-N 3.3Å; L847-L850 PolarHBondContact O-N 2.65Å; L850-S854 VanDerWaalsContact O-CB 3.25Å; L850-S854 WeakPolarHBondContact O-CB 3.33Å; L850-S854 PolarHBondContact O-N 3.14Å; L850-S854 PolarHBondContact O-OG 3.26Å; L850-A879 HydrophobicContact CD2-CB 4.29Å; L850-A879 WeakPolarHBondContact CD2-O 3.49Å; L850-A883 HydrophobicContact CD1-CB 3.71Å; L850-A883 HydrophobicContact CD2-CB 4.32Å
851	V	92.3	Very high	91.3	Very high	58 Å²	58	23.1 Å²	23.1	35%	0.352	13%	0.133	S	C	.	.	H	α-helix	trans	-67.3	-47.9	177.9	167.7	0	0	0	0	110.9	L331 L847 T849 A855	L331-V851 HydrophobicContact CD2-CG1 3.45Å; L331-V851 VanDerWaalsContact CD2-CG1 3.45Å; L331-V851 WeakPolarHBondContact CD2-O 3.16Å; L331-V851 HydrophobicContact CG-CG1 4.08Å; L847-V851 HydrophobicContact CD1-CG2 4.24Å; L847-V851 WeakPolarHBondContact O-CB 3.33Å; L847-V851 VanDerWaalsContact O-CG2 3.28Å; L847-V851 WeakPolarHBondContact O-CG2 3.39Å; L847-V851 PolarHBondContact O-N 2.99Å; T849-V851 VanDerWaalsContact C-N 3.3Å; T849-V851 PolarHBondContact O-N 2.79Å; V851-A855 WeakPolarHBondContact O-CB 3.44Å; V851-A855 PolarHBondContact O-N 3.11Å
852	C	94	Very high	91.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.8	-45	176.3	-67.1	0	0	0	0	112.1	L390 F394 Q848 T849 A855 A856	L390-C852 HydrophobicContact CD1-CB 3.81Å; F394-C852 HydrophobicContact CE2-CB 4.44Å; Q848-C852 WeakPolarHBondContact O-CB 3.39Å; Q848-C852 PolarHBondContact O-N 2.82Å; Q848-C852 PolarHBondContact O-SG 3.27Å; T849-C852 PolarHBondContact O-N 3.17Å; C852-A855 PolarHBondContact O-N 3.36Å; C852-A856 WeakPolarHBondContact O-CB 3.21Å; C852-A856 PolarHBondContact O-N 3.28Å
853	Y	93.9	Very high	91.7	Very high	7 Å²	7	22.5 Å²	22.5	3%	0.027	15%	0.149	C	C	.	.	H	α-helix	trans	-62.3	-49.4	179.1	-176	-98.6	0	0	0	111.9	F383 L386 T849 A855 A856 L857 L875 A879	F383-Y853 HydrophobicContact CB-CE2 4.17Å; F383-Y853 WeakPolarHBondContact O-CE2 3.47Å; L386-Y853 HydrophobicContact CD2-CD2 3.8Å; T849-Y853 WeakPolarHBondContact O-CB 3.33Å; T849-Y853 PolarHBondContact O-N 3.41Å; Y853-A855 VanDerWaalsContact C-N 3.32Å; Y853-A855 PolarHBondContact O-N 3.14Å; Y853-A856 WeakPolarHBondContact O-CB 3.33Å; Y853-A856 PolarHBondContact O-N 3.24Å; Y853-A856 VanDerWaalsContact O-N 3.17Å; Y853-L857 HydrophobicContact CD1-CD1 4.11Å; Y853-L857 HydrophobicContact CE1-CD1 3.68Å; Y853-L857 HydrophobicContact CE1-CG 4.36Å; Y853-L857 WeakPolarHBondContact O-CG 3.45Å; Y853-L857 PolarHBondContact O-N 3Å; Y853-L875 HydrophobicContact CE1-CB 4.47Å; Y853-L875 WeakPolarHBondContact OH-CD2 3.31Å; Y853-A879 HydrophobicContact CD1-CB 3.88Å; Y853-A879 HydrophobicContact CE1-CB 4.08Å
854	S	93.4	Very high	91.8	Very high	44 Å²	44	30.3 Å²	30.3	31%	0.308	18%	0.177	S	C	.	.	H	α-helix	trans	-62.1	-40.7	178.5	-57	0	0	0	0	111.6	L850 A856 L857 V858	L850-S854 VanDerWaalsContact O-CB 3.25Å; L850-S854 WeakPolarHBondContact O-CB 3.33Å; L850-S854 PolarHBondContact O-N 3.14Å; L850-S854 PolarHBondContact O-OG 3.26Å; S854-A856 VanDerWaalsContact C-N 3.33Å; S854-A856 PolarHBondContact O-N 3.32Å; S854-L857 PolarHBondContact O-N 3.1Å; S854-L857 VanDerWaalsContact O-N 3.15Å; S854-V858 PolarHBondContact O-N 3.21Å
855	A	93	Very high	92	Very high	17 Å²	17	30 Å²	30	14%	0.14	18%	0.176	C	C	.	.	H	α-helix	trans	-65.7	-35.7	176.5	0	0	0	0	0	112.6	V327 L331 V851 C852 Y853 L857 V858 P859	V327-A855 HydrophobicContact CG1-CB 3.91Å; L331-A855 HydrophobicContact CD2-CB 3.42Å; L331-A855 VanDerWaalsContact CD2-CB 3.42Å; V851-A855 WeakPolarHBondContact O-CB 3.44Å; V851-A855 PolarHBondContact O-N 3.11Å; C852-A855 PolarHBondContact O-N 3.36Å; Y853-A855 VanDerWaalsContact C-N 3.32Å; Y853-A855 PolarHBondContact O-N 3.14Å; A855-L857 PolarHBondContact O-N 2.91Å; A855-V858 PolarHBondContact O-N 3.42Å; A855-P859 WeakPolarHBondContact O-CD 3.11Å
856	A	94.3	Very high	91.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.5	-28.3	174	0	0	0	0	0	112.2	S324 C328 L386 C852 Y853 S854	S324-A856 WeakPolarHBondContact CB-O 3.41Å; S324-A856 WeakPolarHBondContact OG-CA 3.19Å; S324-A856 PolarHBondContact OG-O 2.76Å; C328-A856 HydrophobicContact CB-CB 4.03Å; L386-A856 HydrophobicContact CD1-CB 4.13Å; L386-A856 HydrophobicContact CD2-CB 4.17Å; C852-A856 WeakPolarHBondContact O-CB 3.21Å; C852-A856 PolarHBondContact O-N 3.28Å; Y853-A856 WeakPolarHBondContact O-CB 3.33Å; Y853-A856 PolarHBondContact O-N 3.24Å; Y853-A856 VanDerWaalsContact O-N 3.17Å; S854-A856 VanDerWaalsContact C-N 3.33Å; S854-A856 PolarHBondContact O-N 3.32Å
857	L	94.3	Very high	91.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-76.5	-26.7	178.6	-64.8	176.2	0	0	0	113.4	F383 Y853 S854 A855 I860 F872 L875	F383-L857 HydrophobicContact CD1-CD2 3.71Å; F383-L857 HydrophobicContact CE1-CD2 4.08Å; F383-L857 HydrophobicContact CG-CD2 4.12Å; Y853-L857 HydrophobicContact CD1-CD1 4.11Å; Y853-L857 HydrophobicContact CE1-CD1 3.68Å; Y853-L857 HydrophobicContact CE1-CG 4.36Å; Y853-L857 WeakPolarHBondContact O-CG 3.45Å; Y853-L857 PolarHBondContact O-N 3Å; S854-L857 PolarHBondContact O-N 3.1Å; S854-L857 VanDerWaalsContact O-N 3.15Å; A855-L857 PolarHBondContact O-N 2.91Å; L857-I860 HydrophobicContact CD2-CD1 3.75Å; L857-I860 VanDerWaalsContact O-CB 3.32Å; L857-I860 WeakPolarHBondContact O-CB 3.32Å; L857-I860 WeakPolarHBondContact O-CG1 3.45Å; L857-I860 PolarHBondContact O-N 2.99Å; L857-I860 VanDerWaalsContact O-N 3.09Å; L857-F872 HydrophobicContact CB-CD2 4.04Å; L857-F872 HydrophobicContact CB-CE2 4.24Å; L857-F872 WeakPolarHBondContact O-CD2 3.48Å; L857-L875 HydrophobicContact CD1-CB 3.73Å; L857-L875 HydrophobicContact CD2-CB 3.91Å; L857-L875 HydrophobicContact CD2-CD1 3.83Å
858	V	92.6	Very high	91.9	Very high	93 Å²	93	30 Å²	30	56%	0.564	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-54.5	-48.1	-172.7	175.3	0	0	0	0	113.4	S854 A855 I860 C861	S854-V858 PolarHBondContact O-N 3.21Å; A855-V858 PolarHBondContact O-N 3.42Å; V858-I860 PolarHBondContact O-N 3.29Å; V858-C861 VanDerWaalsContact O-CB 3.27Å; V858-C861 WeakPolarHBondContact O-CB 3.42Å; V858-C861 PolarHBondContact O-N 2.94Å; V858-C861 VanDerWaalsContact O-N 3.16Å
859	P	93.8	Very high	91.9	Very high	21 Å²	21	34.6 Å²	34.6	14%	0.136	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-62.7	-26.6	-178.8	-27.5	39.8	0	0	0	114.2	P320 A323 V327 A855 C861 A862	P320-P859 HydrophobicContact CB-CB 4.25Å; P320-P859 WeakPolarHBondContact CB-O 3.32Å; P320-P859 WeakPolarHBondContact O-CB 3.49Å; A323-P859 HydrophobicContact CB-CB 4.1Å; A323-P859 HydrophobicContact CB-CG 4.28Å; V327-P859 HydrophobicContact CG2-CG 4.48Å; A855-P859 WeakPolarHBondContact O-CD 3.11Å; P859-C861 PolarHBondContact O-N 3.49Å; P859-A862 WeakPolarHBondContact O-CB 3.5Å; P859-A862 PolarHBondContact O-N 3.39Å
860	I	91	Very high	91.8	Very high	8 Å²	8	35.5 Å²	35.5	4%	0.041	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-64.9	-30.6	179.8	-52.2	168.6	0	0	0	111.1	F383 L857 V858 A862 V863 T868 F872	F383-I860 HydrophobicContact CD1-CD1 4.27Å; F383-I860 HydrophobicContact CD2-CD1 4.3Å; F383-I860 HydrophobicContact CE1-CD1 3.48Å; F383-I860 VanDerWaalsContact CE1-CD1 3.48Å; F383-I860 HydrophobicContact CE1-CG1 4.37Å; F383-I860 HydrophobicContact CE2-CD1 3.5Å; F383-I860 VanDerWaalsContact CE2-CD1 3.5Å; F383-I860 HydrophobicContact CE2-CG1 4.43Å; F383-I860 HydrophobicContact CZ-CD1 3.03Å; F383-I860 HydrophobicContact CZ-CG1 3.78Å; L857-I860 HydrophobicContact CD2-CD1 3.75Å; L857-I860 VanDerWaalsContact O-CB 3.32Å; L857-I860 WeakPolarHBondContact O-CB 3.32Å; L857-I860 WeakPolarHBondContact O-CG1 3.45Å; L857-I860 PolarHBondContact O-N 2.99Å; L857-I860 VanDerWaalsContact O-N 3.09Å; V858-I860 PolarHBondContact O-N 3.29Å; I860-A862 PolarHBondContact O-N 3.5Å; I860-A862 VanDerWaalsContact O-N 3.16Å; I860-V863 WeakPolarHBondContact O-CB 3.46Å; I860-V863 WeakPolarHBondContact O-CG2 3.23Å; I860-V863 PolarHBondContact O-N 3.49Å; I860-T868 HydrophobicContact CG2-CG2 4.33Å; I860-F872 HydrophobicContact CG2-CB 4.35Å
861	C	89.9	Confident	91.8	Very high	76 Å²	76	35.4 Å²	35.4	51%	0.514	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-58	-29.1	178.1	-173.7	0	0	0	0	112.3	V858 P859 V863 F872	V858-C861 VanDerWaalsContact O-CB 3.27Å; V858-C861 WeakPolarHBondContact O-CB 3.42Å; V858-C861 PolarHBondContact O-N 2.94Å; V858-C861 VanDerWaalsContact O-N 3.16Å; P859-C861 PolarHBondContact O-N 3.49Å; C861-V863 VanDerWaalsContact C-N 3.27Å; C861-V863 PolarHBondContact O-N 3.32Å; C861-F872 HydrophobicContact CB-CD1 4.23Å; C861-F872 HydrophobicContact CB-CD2 4.17Å; C861-F872 HydrophobicContact CB-CE1 4.14Å; C861-F872 HydrophobicContact CB-CE2 4.09Å; C861-F872 HydrophobicContact CB-CG 4.25Å; C861-F872 HydrophobicContact CB-CZ 4.08Å
862	A	90.2	Very high	91.9	Very high	80 Å²	80	34.4 Å²	34.4	66%	0.661	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-76.9	-9	178.4	0	0	0	0	0	114	P859 I860	P859-A862 WeakPolarHBondContact O-CB 3.5Å; P859-A862 PolarHBondContact O-N 3.39Å; I860-A862 PolarHBondContact O-N 3.5Å; I860-A862 VanDerWaalsContact O-N 3.16Å
863	V	90.6	Very high	91.9	Very high	8 Å²	8	37.6 Å²	37.6	5%	0.048	20%	0.201	C	C	.	.	S	Bend	trans	-76.8	126.8	179.9	-176.7	0	0	0	0	110	L316 A317 P320 I860 C861 S865 T868	L316-V863 HydrophobicContact CB-CG1 4.05Å; A317-V863 HydrophobicContact CB-CG2 4.41Å; P320-V863 HydrophobicContact CB-CG2 3.76Å; P320-V863 HydrophobicContact CG-CG2 3.64Å; I860-V863 WeakPolarHBondContact O-CB 3.46Å; I860-V863 WeakPolarHBondContact O-CG2 3.23Å; I860-V863 PolarHBondContact O-N 3.49Å; C861-V863 VanDerWaalsContact C-N 3.27Å; C861-V863 PolarHBondContact O-N 3.32Å; V863-S865 PolarHBondContact O-N 3.47Å; V863-T868 HydrophobicContact CB-CG2 4.21Å; V863-T868 WeakPolarHBondContact CB-OG1 3.44Å; V863-T868 HydrophobicContact CG1-CG2 3.88Å; V863-T868 WeakPolarHBondContact CG1-OG1 3.3Å
864	R	90.3	Very high	91.9	Very high	166 Å²	166	37.3 Å²	37.3	63%	0.626	20%	0.2	S	C	*	.			trans	-78.6	58.4	176.3	-59	-170.7	-166.3	173	3.5	112.4	T581 D582	T581-R864 PolarHBondContact N-O 2.86Å; T581-R864 VanDerWaalsContact N-O 3.09Å; T581-R864 PolarHBondContact OG1-O 3.5Å; D582-R864 VanDerWaalsContact OD2-CD 3.31Å; D582-R864 WeakPolarHBondContact OD2-CD 3.48Å; D582-R864 IonicContact OD2-NH1 3.98Å; D582-R864 PolarHBondContact OD2-NH1 3.05Å
865	S	90	Very high	92	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-138.8	137.9	173.3	172.5	0	0	0	0	111.3	S313 V863 L867 T868 R869	S313-S865 WeakPolarHBondContact CB-OG 3.34Å; S313-S865 PolarHBondContact OG-OG 2.9Å; V863-S865 PolarHBondContact O-N 3.47Å; S865-L867 VanDerWaalsContact C-N 3.3Å; S865-L867 PolarHBondContact OG-N 3.08Å; S865-T868 WeakPolarHBondContact CB-OG1 3.1Å; S865-T868 PolarHBondContact O-N 3.08Å; S865-T868 PolarHBondContact O-OG1 2.92Å; S865-R869 WeakPolarHBondContact O-CB 3.42Å; S865-R869 PolarHBondContact O-N 3.28Å
866	N	88.5	Confident	92.1	Very high	39 Å²	39	35.9 Å²	35.9	21%	0.209	19%	0.188	C	C	.	.	H	α-helix	trans	-66.7	-36.7	177.7	-73.8	-31	0	0	0	110.6	A577 V579 T581 T868 R869 T870	A577-N866 WeakPolarHBondContact O-CB 3.25Å; V579-N866 PolarHBondContact O-N 2.97Å; T581-N866 VanDerWaalsContact CG2-OD1 3.27Å; T581-N866 WeakPolarHBondContact CG2-OD1 3.5Å; N866-T868 PolarHBondContact O-N 3.23Å; N866-R869 WeakPolarHBondContact O-CB 3.49Å; N866-R869 PolarHBondContact O-N 3.25Å; N866-R869 PolarHBondContact OD1-NH1 2.86Å; N866-T870 PolarHBondContact O-N 3.44Å; N866-T870 PolarHBondContact O-OG1 3.1Å
867	L	89.1	Confident	92.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59	-46.2	175.4	176.8	142.8	0	0	0	112.1	F310 L379 L578 V800 S865 R869 T870 L871	F310-L867 HydrophobicContact CE2-CD1 3.72Å; F310-L867 HydrophobicContact CZ-CD1 4.35Å; L379-L867 HydrophobicContact CB-CD2 4.49Å; L379-L867 HydrophobicContact CD1-CD2 3.54Å; L578-L867 WeakPolarHBondContact O-CB 3.4Å; V800-L867 HydrophobicContact CG2-CD1 4.02Å; V800-L867 HydrophobicContact CG2-CG 4.21Å; S865-L867 VanDerWaalsContact C-N 3.3Å; S865-L867 PolarHBondContact OG-N 3.08Å; L867-R869 VanDerWaalsContact C-N 3.33Å; L867-T870 PolarHBondContact O-N 2.98Å; L867-L871 HydrophobicContact CD2-CD1 3.88Å; L867-L871 WeakPolarHBondContact O-CG 3.26Å; L867-L871 PolarHBondContact O-N 3.33Å
868	T	91.1	Very high	92.2	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.012	19%	0.192	C	C	.	.	H	α-helix	trans	-70.1	-31.5	177.7	50.4	0	0	0	0	112.5	A317 L379 I860 V863 S865 N866 F872	A317-T868 HydrophobicContact CB-CG2 4.23Å; L379-T868 HydrophobicContact CD1-CG2 4.36Å; I860-T868 HydrophobicContact CG2-CG2 4.33Å; V863-T868 HydrophobicContact CB-CG2 4.21Å; V863-T868 WeakPolarHBondContact CB-OG1 3.44Å; V863-T868 HydrophobicContact CG1-CG2 3.88Å; V863-T868 WeakPolarHBondContact CG1-OG1 3.3Å; S865-T868 WeakPolarHBondContact CB-OG1 3.1Å; S865-T868 PolarHBondContact O-N 3.08Å; S865-T868 PolarHBondContact O-OG1 2.92Å; N866-T868 PolarHBondContact O-N 3.23Å; T868-F872 WeakPolarHBondContact O-CB 3.31Å; T868-F872 PolarHBondContact O-N 3.47Å
869	R	91.4	Very high	92.3	Very high	100 Å²	100	32.4 Å²	32.4	38%	0.377	17%	0.166	S	C	.	.	H	α-helix	trans	-68	-42.2	175	-171.9	-178.7	-68.3	155.9	-3.4	111.6	S865 N866 L867 F872 R873	S865-R869 WeakPolarHBondContact O-CB 3.42Å; S865-R869 PolarHBondContact O-N 3.28Å; N866-R869 WeakPolarHBondContact O-CB 3.49Å; N866-R869 PolarHBondContact O-N 3.25Å; N866-R869 PolarHBondContact OD1-NH1 2.86Å; L867-R869 VanDerWaalsContact C-N 3.33Å; R869-F872 PolarHBondContact O-N 3.49Å; R869-R873 WeakPolarHBondContact O-CG 3.43Å; R869-R873 PolarHBondContact O-N 3.16Å
870	T	91.3	Very high	92.3	Very high	19 Å²	19	34.9 Å²	34.9	12%	0.117	18%	0.181	C	C	.	.	H	α-helix	trans	-61.5	-48.9	172.9	-62.5	0	0	0	0	110.6	V795 V800 N866 L867 F872 R873 C874	V795-T870 HydrophobicContact CG1-CG2 3.81Å; V800-T870 HydrophobicContact CB-CG2 4.24Å; V800-T870 HydrophobicContact CG1-CG2 4.04Å; N866-T870 PolarHBondContact O-N 3.44Å; N866-T870 PolarHBondContact O-OG1 3.1Å; L867-T870 PolarHBondContact O-N 2.98Å; T870-F872 PolarHBondContact O-N 3.32Å; T870-R873 PolarHBondContact O-N 3.15Å; T870-C874 WeakPolarHBondContact O-CB 3.39Å; T870-C874 PolarHBondContact O-N 3.27Å; T870-C874 PolarHBondContact O-SG 2.74Å; T870-C874 VanDerWaalsContact O-SG 3.36Å
871	L	92.4	Very high	92.6	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-54.4	-50.7	174	-75.4	172.7	0	0	0	111.7	L379 V800 L867 R873 L875	L379-L871 HydrophobicContact CB-CD1 4.03Å; V800-L871 HydrophobicContact CG1-CD2 3.44Å; V800-L871 VanDerWaalsContact CG1-CD2 3.44Å; V800-L871 HydrophobicContact CG1-CG 3.61Å; L867-L871 HydrophobicContact CD2-CD1 3.88Å; L867-L871 WeakPolarHBondContact O-CG 3.26Å; L867-L871 PolarHBondContact O-N 3.33Å; L871-R873 PolarHBondContact O-N 3.46Å; L871-L875 VanDerWaalsContact O-CB 3.27Å; L871-L875 WeakPolarHBondContact O-CB 3.28Å; L871-L875 WeakPolarHBondContact O-CG 2.94Å; L871-L875 PolarHBondContact O-N 2.98Å
872	F	94.3	Very high	92.8	Very high	37 Å²	37	31 Å²	31	16%	0.162	16%	0.155	C	C	.	.	H	α-helix	trans	-58.1	-50.7	179.7	169.6	-102.9	0	0	0	112.2	L857 I860 C861 T868 R869 T870 T876	L857-F872 HydrophobicContact CB-CD2 4.04Å; L857-F872 HydrophobicContact CB-CE2 4.24Å; L857-F872 WeakPolarHBondContact O-CD2 3.48Å; I860-F872 HydrophobicContact CG2-CB 4.35Å; C861-F872 HydrophobicContact CB-CD1 4.23Å; C861-F872 HydrophobicContact CB-CD2 4.17Å; C861-F872 HydrophobicContact CB-CE1 4.14Å; C861-F872 HydrophobicContact CB-CE2 4.09Å; C861-F872 HydrophobicContact CB-CG 4.25Å; C861-F872 HydrophobicContact CB-CZ 4.08Å; T868-F872 WeakPolarHBondContact O-CB 3.31Å; T868-F872 PolarHBondContact O-N 3.47Å; R869-F872 PolarHBondContact O-N 3.49Å; T870-F872 PolarHBondContact O-N 3.32Å; F872-T876 WeakPolarHBondContact O-CB 3.32Å; F872-T876 PolarHBondContact O-N 2.84Å; F872-T876 PolarHBondContact O-OG1 3.35Å
873	R	94.5	Very high	93	Very high	67 Å²	67	28.3 Å²	28.3	25%	0.253	13%	0.133	S	C	.	.	H	α-helix	trans	-61.3	-50.9	-179.3	-73.1	178.1	-179.6	176.7	-0.5	111.4	W793 V795 R869 T870 L871 T876 L877	W793-R873 HydrophobicContact CD2-CB 4.47Å; W793-R873 HydrophobicContact CD2-CG 4.19Å; W793-R873 HydrophobicContact CE3-CB 4.3Å; W793-R873 HydrophobicContact CE3-CG 4.43Å; W793-R873 HydrophobicContact CZ2-CG 4.39Å; W793-R873 PolarHBondContact O-NH1 3.49Å; W793-R873 VanDerWaalsContact O-NH1 3.17Å; V795-R873 HydrophobicContact CG2-CB 3.98Å; V795-R873 HydrophobicContact CG2-CG 4.45Å; R869-R873 WeakPolarHBondContact O-CG 3.43Å; R869-R873 PolarHBondContact O-N 3.16Å; T870-R873 PolarHBondContact O-N 3.15Å; L871-R873 PolarHBondContact O-N 3.46Å; R873-T876 PolarHBondContact O-N 3.32Å; R873-L877 WeakPolarHBondContact O-CG 3.49Å; R873-L877 PolarHBondContact O-N 3.14Å
874	C	94.3	Very high	93.2	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.007	15%	0.145	C	C	.	.	H	α-helix	trans	-65	-46.1	-177.6	-66.7	0	0	0	0	112.3	C804 T870 T876 L877 T878	C804-C874 HydrophobicContact CB-CB 3.41Å; C804-C874 VanDerWaalsContact CB-CB 3.41Å; T870-C874 WeakPolarHBondContact O-CB 3.39Å; T870-C874 PolarHBondContact O-N 3.27Å; T870-C874 PolarHBondContact O-SG 2.74Å; T870-C874 VanDerWaalsContact O-SG 3.36Å; C874-T876 VanDerWaalsContact C-N 3.34Å; C874-T876 PolarHBondContact O-N 3.18Å; C874-L877 PolarHBondContact O-N 2.85Å; C874-T878 PolarHBondContact O-N 2.95Å; C874-T878 PolarHBondContact O-OG1 3.08Å; C874-T878 VanDerWaalsContact O-OG1 3.07Å
875	L	94.4	Very high	93.4	Very high	3 Å²	3	23 Å²	23	2%	0.016	12%	0.116	C	C	.	.	H	α-helix	trans	-68.4	-33.4	-179.8	-63.5	-179.9	0	0	0	112.3	F383 C804 Y853 L857 L871 T878 A879	F383-L875 HydrophobicContact CB-CD1 3.84Å; F383-L875 HydrophobicContact CD2-CD1 4.22Å; F383-L875 HydrophobicContact CG-CD1 4.08Å; C804-L875 HydrophobicContact CB-CD2 4.32Å; Y853-L875 HydrophobicContact CE1-CB 4.47Å; Y853-L875 WeakPolarHBondContact OH-CD2 3.31Å; L857-L875 HydrophobicContact CD1-CB 3.73Å; L857-L875 HydrophobicContact CD2-CB 3.91Å; L857-L875 HydrophobicContact CD2-CD1 3.83Å; L871-L875 VanDerWaalsContact O-CB 3.27Å; L871-L875 WeakPolarHBondContact O-CB 3.28Å; L871-L875 WeakPolarHBondContact O-CG 2.94Å; L871-L875 PolarHBondContact O-N 2.98Å; L875-T878 WeakPolarHBondContact O-CB 3.39Å; L875-T878 PolarHBondContact O-N 3.12Å; L875-A879 PolarHBondContact O-N 3.26Å
876	T	95.3	Very high	93.5	Very high	29 Å²	29	23.1 Å²	23.1	18%	0.178	12%	0.117	C	C	.	.	H	α-helix	trans	-66.9	-44.2	173.6	-57.2	0	0	0	0	111	F872 R873 C874 T878 A879 V880	F872-T876 WeakPolarHBondContact O-CB 3.32Å; F872-T876 PolarHBondContact O-N 2.84Å; F872-T876 PolarHBondContact O-OG1 3.35Å; R873-T876 PolarHBondContact O-N 3.32Å; C874-T876 VanDerWaalsContact C-N 3.34Å; C874-T876 PolarHBondContact O-N 3.18Å; T876-T878 VanDerWaalsContact C-N 3.32Å; T876-T878 PolarHBondContact O-N 3.27Å; T876-A879 PolarHBondContact O-N 3.07Å; T876-V880 HydrophobicContact CG2-CG2 4.45Å; T876-V880 WeakPolarHBondContact O-CG2 3.12Å; T876-V880 PolarHBondContact O-N 3.15Å
877	L	95.8	Very high	93.6	Very high	17 Å²	17	22.7 Å²	22.7	9%	0.089	11%	0.114	C	C	.	.	H	α-helix	trans	-59.3	-43.7	173.3	-75.1	175.8	0	0	0	111.6	V786 F789 M790 W793 R873 C874 A879 V880 C881	V786-L877 HydrophobicContact CG1-CB 4.45Å; F789-L877 HydrophobicContact CB-CD1 4.07Å; F789-L877 HydrophobicContact CB-CD2 3.77Å; M790-L877 HydrophobicContact CB-CD1 3.86Å; W793-L877 HydrophobicContact CE3-CD1 3.85Å; W793-L877 HydrophobicContact CE3-CD2 3.69Å; W793-L877 HydrophobicContact CE3-CG 3.62Å; W793-L877 HydrophobicContact CZ3-CD1 4.47Å; W793-L877 HydrophobicContact CZ3-CD2 3.8Å; W793-L877 HydrophobicContact CZ3-CG 3.76Å; R873-L877 WeakPolarHBondContact O-CG 3.49Å; R873-L877 PolarHBondContact O-N 3.14Å; C874-L877 PolarHBondContact O-N 2.85Å; L877-A879 VanDerWaalsContact C-N 3.33Å; L877-A879 PolarHBondContact O-N 2.88Å; L877-V880 PolarHBondContact O-N 3.15Å; L877-C881 VanDerWaalsContact O-CB 3.3Å; L877-C881 WeakPolarHBondContact O-CB 3.25Å; L877-C881 PolarHBondContact O-N 2.92Å; L877-C881 PolarHBondContact O-SG 2.67Å
878	T	94.8	Very high	93.8	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-56.7	-46.2	175.4	-66.6	0	0	0	0	111.9	A808 H811 C874 L875 T876 S882	A808-T878 HydrophobicContact CB-CG2 3.63Å; A808-T878 WeakPolarHBondContact CB-OG1 3.47Å; H811-T878 HydrophobicContact CB-CG2 4.07Å; C874-T878 PolarHBondContact O-N 2.95Å; C874-T878 PolarHBondContact O-OG1 3.08Å; C874-T878 VanDerWaalsContact O-OG1 3.07Å; L875-T878 WeakPolarHBondContact O-CB 3.39Å; L875-T878 PolarHBondContact O-N 3.12Å; T876-T878 VanDerWaalsContact C-N 3.32Å; T876-T878 PolarHBondContact O-N 3.27Å; T878-S882 WeakPolarHBondContact O-CB 3.36Å; T878-S882 PolarHBondContact O-N 3.43Å; T878-S882 PolarHBondContact O-OG 3.43Å
879	A	94.5	Very high	94	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.008	12%	0.119	C	C	.	.	H	α-helix	trans	-63.5	-47.1	177.8	0	0	0	0	0	111.7	L850 Y853 L875 T876 L877 S882 A883	L850-A879 HydrophobicContact CD2-CB 4.29Å; L850-A879 WeakPolarHBondContact CD2-O 3.49Å; Y853-A879 HydrophobicContact CD1-CB 3.88Å; Y853-A879 HydrophobicContact CE1-CB 4.08Å; L875-A879 PolarHBondContact O-N 3.26Å; T876-A879 PolarHBondContact O-N 3.07Å; L877-A879 VanDerWaalsContact C-N 3.33Å; L877-A879 PolarHBondContact O-N 2.88Å; A879-S882 PolarHBondContact O-N 3.09Å; A879-A883 VanDerWaalsContact O-CB 3.28Å; A879-A883 WeakPolarHBondContact O-CB 3.4Å; A879-A883 PolarHBondContact O-N 2.94Å
880	V	95.3	Very high	94	Very high	73 Å²	73	18.6 Å²	18.6	44%	0.442	10%	0.101	S	C	.	.	H	α-helix	trans	-65.9	-47.6	-179.1	172.9	0	0	0	0	111.6	T876 L877 S882 A883 L884	T876-V880 HydrophobicContact CG2-CG2 4.45Å; T876-V880 WeakPolarHBondContact O-CG2 3.12Å; T876-V880 PolarHBondContact O-N 3.15Å; L877-V880 PolarHBondContact O-N 3.15Å; V880-S882 VanDerWaalsContact C-N 3.33Å; V880-S882 PolarHBondContact O-N 2.92Å; V880-A883 WeakPolarHBondContact O-CB 3.28Å; V880-A883 PolarHBondContact O-N 3.19Å; V880-L884 HydrophobicContact CG1-CD1 4.24Å; V880-L884 WeakPolarHBondContact O-CG 3.49Å; V880-L884 PolarHBondContact O-N 3.14Å
881	C	96.3	Very high	94	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.02	10%	0.096	C	C	.	.	H	α-helix	trans	-62.8	-40.9	178.3	-69.1	0	0	0	0	111.2	V782 V786 L877 L884 H885	V782-C881 HydrophobicContact CG1-CB 4.13Å; V786-C881 HydrophobicContact CG2-CB 3.86Å; L877-C881 VanDerWaalsContact O-CB 3.3Å; L877-C881 WeakPolarHBondContact O-CB 3.25Å; L877-C881 PolarHBondContact O-N 2.92Å; L877-C881 PolarHBondContact O-SG 2.67Å; C881-L884 PolarHBondContact O-N 3.32Å; C881-H885 PolarHBondContact O-N 2.93Å; C881-H885 VanDerWaalsContact O-N 3.09Å; C881-H885 PolarHBondContact O-ND1 3.4Å
882	S	94.4	Very high	93.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.8	-41.4	175.5	-58.6	0	0	0	0	111.8	T878 A879 V880 H885 T886	T878-S882 WeakPolarHBondContact O-CB 3.36Å; T878-S882 PolarHBondContact O-N 3.43Å; T878-S882 PolarHBondContact O-OG 3.43Å; A879-S882 PolarHBondContact O-N 3.09Å; V880-S882 VanDerWaalsContact C-N 3.33Å; V880-S882 PolarHBondContact O-N 2.92Å; S882-H885 PolarHBondContact O-N 3.34Å; S882-T886 VanDerWaalsContact O-CB 3.31Å; S882-T886 WeakPolarHBondContact O-CB 3.36Å; S882-T886 WeakPolarHBondContact O-CG2 3.49Å; S882-T886 PolarHBondContact O-N 2.99Å; S882-T886 PolarHBondContact O-OG1 2.92Å
883	A	93.7	Very high	93.6	Very high	23 Å²	23	18.1 Å²	18.1	19%	0.19	10%	0.1	C	C	.	.	H	α-helix	trans	-60.1	-47.5	174.7	0	0	0	0	0	112.3	L850 A879 V880 H885 T886 L887	L850-A883 HydrophobicContact CD1-CB 3.71Å; L850-A883 HydrophobicContact CD2-CB 4.32Å; A879-A883 VanDerWaalsContact O-CB 3.28Å; A879-A883 WeakPolarHBondContact O-CB 3.4Å; A879-A883 PolarHBondContact O-N 2.94Å; V880-A883 WeakPolarHBondContact O-CB 3.28Å; V880-A883 PolarHBondContact O-N 3.19Å; A883-H885 VanDerWaalsContact C-N 3.33Å; A883-H885 PolarHBondContact O-N 2.89Å; A883-T886 PolarHBondContact O-N 3.33Å; A883-T886 PolarHBondContact O-OG1 3.44Å; A883-L887 VanDerWaalsContact O-CB 3.32Å; A883-L887 WeakPolarHBondContact O-CB 3.41Å; A883-L887 WeakPolarHBondContact O-CG 3.44Å; A883-L887 PolarHBondContact O-N 3.38Å
884	L	95.2	Very high	93.2	Very high	58 Å²	58	15 Å²	15	30%	0.304	9%	0.088	S	C	.	.	I	π-helix	trans	-59.9	-43.6	177.5	-73.5	173.4	0	0	0	111.7	Y558 V880 C881 A888 F889	Y558-L884 HydrophobicContact CD2-CD1 4.48Å; V880-L884 HydrophobicContact CG1-CD1 4.24Å; V880-L884 WeakPolarHBondContact O-CG 3.49Å; V880-L884 PolarHBondContact O-N 3.14Å; C881-L884 PolarHBondContact O-N 3.32Å; L884-A888 WeakPolarHBondContact O-CA 3.5Å; L884-A888 WeakPolarHBondContact O-CB 3.43Å; L884-A888 PolarHBondContact O-N 3.36Å; L884-F889 HydrophobicContact CB-CD2 4.24Å; L884-F889 HydrophobicContact CB-CE2 3.76Å; L884-F889 HydrophobicContact CB-CZ 4.17Å; L884-F889 PolarHBondContact O-N 3.34Å
885	H	94.9	Very high	92.8	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.019	9%	0.089	C	C	.	.	I	π-helix	trans	-65.2	-45.6	177.8	-79.4	75.2	0	0	0	112	Y555 Y558 S781 V782 C881 S882 A883 F889 L890	Y555-H885 AromaticContact CE2-NE2 3.93Å; Y558-H885 AromaticContact CE1-CE1 3.68Å; Y558-H885 AromaticContact CZ-CE1 3.49Å; Y558-H885 VanDerWaalsContact CZ-CE1 3.49Å; Y558-H885 PolarHBondContact OH-CE1 2.85Å; Y558-H885 VanDerWaalsContact OH-CE1 3.31Å; S781-H885 WeakPolarHBondContact CB-NE2 3.3Å; S781-H885 PolarHBondContact OG-NE2 3.25Å; S781-H885 VanDerWaalsContact OG-NE2 3.11Å; V782-H885 HydrophobicContact CG2-CB 3.95Å; V782-H885 VanDerWaalsContact CG2-CG 3.44Å; V782-H885 WeakPolarHBondContact CG2-ND1 3.39Å; C881-H885 PolarHBondContact O-N 2.93Å; C881-H885 VanDerWaalsContact O-N 3.09Å; C881-H885 PolarHBondContact O-ND1 3.4Å; S882-H885 PolarHBondContact O-N 3.34Å; A883-H885 VanDerWaalsContact C-N 3.33Å; A883-H885 PolarHBondContact O-N 2.89Å; H885-F889 AromaticContact CD2-CD2 3.99Å; H885-F889 AromaticContact CE1-CD2 3.74Å; H885-F889 AromaticContact CE1-CE2 3.99Å; H885-F889 AromaticContact CG-CD2 3.94Å; H885-F889 AromaticContact ND1-CD2 3.79Å; H885-F889 AromaticContact NE2-CD2 3.86Å; H885-L890 WeakPolarHBondContact O-CB 3.4Å; H885-L890 PolarHBondContact O-N 3.5Å
886	T	92.3	Very high	92.2	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.018	11%	0.113	C	C	.	.	I	π-helix	trans	-78.9	-35.3	-169.8	54.9	0	0	0	0	112.9	C815 S882 A883 P891	C815-T886 HydrophobicContact CB-CG2 3.33Å; S882-T886 VanDerWaalsContact O-CB 3.31Å; S882-T886 WeakPolarHBondContact O-CB 3.36Å; S882-T886 WeakPolarHBondContact O-CG2 3.49Å; S882-T886 PolarHBondContact O-N 2.99Å; S882-T886 PolarHBondContact O-OG1 2.92Å; A883-T886 PolarHBondContact O-N 3.33Å; A883-T886 PolarHBondContact O-OG1 3.44Å; T886-P891 WeakPolarHBondContact O-CD 3.48Å; T886-P891 VanDerWaalsContact O-CG 3.3Å; T886-P891 WeakPolarHBondContact O-CG 3.5Å
887	L	91.1	Very high	90.9	Very high	30 Å²	30	21 Å²	21	16%	0.157	11%	0.114	C	C	.	.	I	π-helix	trans	-94.9	-31.6	-176.2	-57.2	176.1	0	0	0	112.4	Y538 L847 A883 P891	Y538-L887 HydrophobicContact CE1-CB 4.42Å; Y538-L887 VanDerWaalsContact OH-C 3.27Å; Y538-L887 WeakPolarHBondContact OH-CB 3.07Å; Y538-L887 PolarHBondContact OH-O 3.47Å; L847-L887 HydrophobicContact CD1-CD1 3.94Å; A883-L887 VanDerWaalsContact O-CB 3.32Å; A883-L887 WeakPolarHBondContact O-CB 3.41Å; A883-L887 WeakPolarHBondContact O-CG 3.44Å; A883-L887 PolarHBondContact O-N 3.38Å; L887-P891 WeakPolarHBondContact O-CG 3.47Å
888	A	92.6	Very high	88.9	Confident	12 Å²	12	25 Å²	25	10%	0.099	14%	0.141	C	C	.	.	I	π-helix	trans	-115.9	-61.7	-174.7	0	0	0	0	0	114.4	I542 V551 L884 T892	I542-A888 HydrophobicContact CD1-CB 4.44Å; V551-A888 HydrophobicContact CG1-CB 4.25Å; L884-A888 WeakPolarHBondContact O-CA 3.5Å; L884-A888 WeakPolarHBondContact O-CB 3.43Å; L884-A888 PolarHBondContact O-N 3.36Å; A888-T892 WeakPolarHBondContact O-CG2 3.41Å; A888-T892 PolarHBondContact O-N 3.04Å; A888-T892 PolarHBondContact O-OG1 2.93Å
889	F	94.4	Very high	86.9	Confident	3 Å²	3	27.3 Å²	27.3	1%	0.013	16%	0.156	C	C	.	.	I	π-helix	trans	-68.9	-47.8	-169.3	-54.8	-35.3	0	0	0	112.5	V551 L554 Y555 Y558 L884 H885 T892 L893	V551-F889 HydrophobicContact CG1-CD1 3.99Å; L554-F889 HydrophobicContact CB-CE1 4.33Å; L554-F889 HydrophobicContact CD2-CE1 4.05Å; L554-F889 HydrophobicContact CD2-CZ 4.5Å; L554-F889 HydrophobicContact CG-CE1 3.96Å; L554-F889 HydrophobicContact CG-CZ 4.25Å; Y555-F889 HydrophobicContact CD2-CB 4.11Å; Y555-F889 AromaticContact CD2-CD1 3.88Å; Y555-F889 HydrophobicContact CD2-CD1 3.88Å; Y555-F889 AromaticContact CD2-CD2 3.49Å; Y555-F889 HydrophobicContact CD2-CD2 3.49Å; Y555-F889 VanDerWaalsContact CD2-CD2 3.49Å; Y555-F889 HydrophobicContact CD2-CE1 4.1Å; Y555-F889 AromaticContact CD2-CE2 3.72Å; Y555-F889 HydrophobicContact CD2-CE2 3.72Å; Y555-F889 AromaticContact CD2-CG 3.58Å; Y555-F889 HydrophobicContact CD2-CG 3.58Å; Y555-F889 HydrophobicContact CD2-CZ 4.03Å; Y555-F889 AromaticContact CE2-CD2 3.96Å; Y555-F889 HydrophobicContact CE2-CD2 3.96Å; Y555-F889 HydrophobicContact CE2-CE2 4.37Å; Y555-F889 HydrophobicContact CE2-CG 4.26Å; Y555-F889 HydrophobicContact CG-CD1 4.3Å; Y555-F889 HydrophobicContact CG-CE1 4.49Å; Y555-F889 HydrophobicContact CG-CG 4.37Å; Y558-F889 HydrophobicContact CD1-CE2 4.35Å; Y558-F889 HydrophobicContact CD2-CE2 4.16Å; Y558-F889 HydrophobicContact CG-CE2 4.04Å; Y558-F889 HydrophobicContact CG-CZ 4.27Å; L884-F889 HydrophobicContact CB-CD2 4.24Å; L884-F889 HydrophobicContact CB-CE2 3.76Å; L884-F889 HydrophobicContact CB-CZ 4.17Å; L884-F889 PolarHBondContact O-N 3.34Å; H885-F889 AromaticContact CD2-CD2 3.99Å; H885-F889 AromaticContact CE1-CD2 3.74Å; H885-F889 AromaticContact CE1-CE2 3.99Å; H885-F889 AromaticContact CG-CD2 3.94Å; H885-F889 AromaticContact ND1-CD2 3.79Å; H885-F889 AromaticContact NE2-CD2 3.86Å; F889-T892 PolarHBondContact O-N 2.89Å; F889-T892 PolarHBondContact O-OG1 3.28Å; F889-L893 VanDerWaalsContact O-CB 3.3Å; F889-L893 WeakPolarHBondContact O-CB 3.41Å; F889-L893 WeakPolarHBondContact O-CD1 3.49Å; F889-L893 WeakPolarHBondContact O-CG 3.38Å; F889-L893 PolarHBondContact O-N 2.94Å
890	L	92	Very high	84.8	Confident	1 Å²	1	31 Å²	31	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-67.9	-48.1	-176.6	-171.4	60	0	0	0	112.1	W774 T778 L819 L820 H885 T892 L893 L894	W774-L890 HydrophobicContact CE3-CD1 4.48Å; T778-L890 HydrophobicContact CG2-CD1 3.51Å; T778-L890 HydrophobicContact CG2-CD2 3.99Å; T778-L890 HydrophobicContact CG2-CG 4.22Å; L819-L890 HydrophobicContact CD2-CD2 4.1Å; L819-L890 HydrophobicContact CD2-CG 4.27Å; L820-L890 HydrophobicContact CD1-CD2 4Å; L820-L890 HydrophobicContact CD2-CD1 4Å; L820-L890 HydrophobicContact CD2-CD2 4.2Å; L820-L890 HydrophobicContact CD2-CG 4.29Å; L820-L890 HydrophobicContact CG-CD1 4.5Å; L820-L890 HydrophobicContact CG-CD2 3.84Å; L820-L890 HydrophobicContact CG-CG 4.46Å; H885-L890 WeakPolarHBondContact O-CB 3.4Å; H885-L890 PolarHBondContact O-N 3.5Å; L890-T892 VanDerWaalsContact C-N 3.32Å; L890-T892 PolarHBondContact O-N 3.33Å; L890-L893 PolarHBondContact O-N 3.18Å; L890-L894 HydrophobicContact CD1-CD1 4.38Å; L890-L894 HydrophobicContact CD1-CG 4.26Å; L890-L894 HydrophobicContact CG-CD1 4.1Å; L890-L894 HydrophobicContact CG-CG 4.43Å; L890-L894 WeakPolarHBondContact O-CB 3.2Å; L890-L894 WeakPolarHBondContact O-CG 3.42Å; L890-L894 PolarHBondContact O-N 2.88Å
891	P	90.5	Very high	82.4	Confident	2 Å²	2	37 Å²	37	1%	0.013	20%	0.202	C	C	.	.	H	α-helix	trans	-55.2	-44.9	175.2	-29.9	38.7	0	0	0	113.4	L819 V835 L839 T886 L887 L894 T895	L819-P891 HydrophobicContact CD1-CG 4.44Å; V835-P891 HydrophobicContact CG1-CB 3.69Å; L839-P891 HydrophobicContact CD1-CB 3.92Å; L839-P891 HydrophobicContact CD1-CG 4.08Å; L839-P891 HydrophobicContact CD2-CG 3.84Å; L839-P891 HydrophobicContact CG-CB 4.42Å; L839-P891 HydrophobicContact CG-CG 4.15Å; T886-P891 WeakPolarHBondContact O-CD 3.48Å; T886-P891 VanDerWaalsContact O-CG 3.3Å; T886-P891 WeakPolarHBondContact O-CG 3.5Å; L887-P891 WeakPolarHBondContact O-CG 3.47Å; P891-L894 PolarHBondContact O-N 2.94Å; P891-T895 WeakPolarHBondContact O-CG2 3.45Å; P891-T895 PolarHBondContact O-N 3.41Å
892	T	90.6	Very high	79.7	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-67.8	-45.1	-179.4	51.5	0	0	0	0	112	I542 V551 A888 F889 L890 L894 T895 F896	I542-T892 HydrophobicContact CD1-CG2 3.82Å; I542-T892 HydrophobicContact CG1-CG2 3.93Å; V551-T892 HydrophobicContact CB-CG2 3.93Å; V551-T892 HydrophobicContact CG1-CG2 3.75Å; V551-T892 WeakPolarHBondContact CG1-OG1 3.48Å; V551-T892 HydrophobicContact CG2-CG2 4.02Å; A888-T892 WeakPolarHBondContact O-CG2 3.41Å; A888-T892 PolarHBondContact O-N 3.04Å; A888-T892 PolarHBondContact O-OG1 2.93Å; F889-T892 PolarHBondContact O-N 2.89Å; F889-T892 PolarHBondContact O-OG1 3.28Å; L890-T892 VanDerWaalsContact C-N 3.32Å; L890-T892 PolarHBondContact O-N 3.33Å; T892-L894 VanDerWaalsContact C-N 3.32Å; T892-L894 PolarHBondContact O-N 2.87Å; T892-T895 PolarHBondContact O-N 2.9Å; T892-T895 VanDerWaalsContact O-N 3.09Å; T892-T895 PolarHBondContact O-OG1 3.38Å; T892-F896 WeakPolarHBondContact O-CD2 3.37Å
893	L	88.9	Confident	77.1	Confident	47 Å²	47	52.2 Å²	52.2	25%	0.246	27%	0.273	C	S	.	.	H	α-helix	trans	-58.8	-41	176.2	-71.3	170.9	0	0	0	112.4	W774 F889 L890 T895 F896	W774-L893 HydrophobicContact CZ3-CB 4.22Å; W774-L893 HydrophobicContact CZ3-CD1 4.27Å; F889-L893 VanDerWaalsContact O-CB 3.3Å; F889-L893 WeakPolarHBondContact O-CB 3.41Å; F889-L893 WeakPolarHBondContact O-CD1 3.49Å; F889-L893 WeakPolarHBondContact O-CG 3.38Å; F889-L893 PolarHBondContact O-N 2.94Å; L890-L893 PolarHBondContact O-N 3.18Å; L893-T895 PolarHBondContact O-N 3.29Å; L893-F896 PolarHBondContact O-N 3.42Å
894	L	86.6	Confident	74.6	Confident	1 Å²	1	57 Å²	57	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-64.3	-27	177.1	-68.4	173.8	0	0	0	113	L819 L820 F823 V835 L890 P891 T892 F896 L897	L819-L894 HydrophobicContact CD2-CD1 3.94Å; L820-L894 HydrophobicContact CD2-CD1 3.89Å; L820-L894 HydrophobicContact CD2-CD2 3.84Å; L820-L894 HydrophobicContact CD2-CG 4.38Å; F823-L894 HydrophobicContact CB-CD1 4.29Å; F823-L894 HydrophobicContact CD1-CD1 4.2Å; F823-L894 HydrophobicContact CD1-CD2 3.96Å; F823-L894 HydrophobicContact CD1-CG 4.47Å; F823-L894 HydrophobicContact CE1-CB 4.33Å; F823-L894 HydrophobicContact CE1-CD2 3.92Å; F823-L894 HydrophobicContact CE2-CB 4.28Å; F823-L894 HydrophobicContact CG-CD1 4.09Å; F823-L894 HydrophobicContact CZ-CB 4.17Å; V835-L894 HydrophobicContact CG2-CB 4.02Å; L890-L894 HydrophobicContact CD1-CD1 4.38Å; L890-L894 HydrophobicContact CD1-CG 4.26Å; L890-L894 HydrophobicContact CG-CD1 4.1Å; L890-L894 HydrophobicContact CG-CG 4.43Å; L890-L894 WeakPolarHBondContact O-CB 3.2Å; L890-L894 WeakPolarHBondContact O-CG 3.42Å; L890-L894 PolarHBondContact O-N 2.88Å; P891-L894 PolarHBondContact O-N 2.94Å; T892-L894 VanDerWaalsContact C-N 3.32Å; T892-L894 PolarHBondContact O-N 2.87Å; L894-F896 PolarHBondContact O-N 3.01Å; L894-L897 HydrophobicContact CD2-CD1 4.03Å; L894-L897 PolarHBondContact O-N 3.41Å
895	T	85.4	Confident	71.6	Confident	6 Å²	6	61.9 Å²	61.9	4%	0.037	32%	0.322	C	S	.	.	H	α-helix	trans	-68.8	-19.7	176.5	70.9	0	0	0	0	113.9	K548 T832 V835 P891 T892 L893 L897	K548-T895 VanDerWaalsContact CE-OG1 3.31Å; K548-T895 WeakPolarHBondContact CE-OG1 3.41Å; K548-T895 PolarHBondContact NZ-OG1 2.96Å; T832-T895 HydrophobicContact CG2-CG2 4.39Å; V835-T895 HydrophobicContact CB-CG2 4.36Å; V835-T895 HydrophobicContact CG1-CG2 4.39Å; V835-T895 HydrophobicContact CG2-CG2 3.99Å; P891-T895 WeakPolarHBondContact O-CG2 3.45Å; P891-T895 PolarHBondContact O-N 3.41Å; T892-T895 PolarHBondContact O-N 2.9Å; T892-T895 VanDerWaalsContact O-N 3.09Å; T892-T895 PolarHBondContact O-OG1 3.38Å; L893-T895 PolarHBondContact O-N 3.29Å; T895-L897 VanDerWaalsContact C-N 3.35Å
896	F	81.5	Confident	68.5	Low	114 Å²	114	72.5 Å²	72.5	50%	0.5	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-15.9	177.3	-64.5	-68.4	0	0	0	112.9	K548 V552 T892 L893 L894	K548-F896 HydrophobicContact CB-CZ 4.23Å; K548-F896 HydrophobicContact CD-CE1 4.47Å; K548-F896 HydrophobicContact CD-CZ 4.24Å; V552-F896 HydrophobicContact CG2-CE2 4.18Å; V552-F896 HydrophobicContact CG2-CZ 4.39Å; T892-F896 WeakPolarHBondContact O-CD2 3.37Å; L893-F896 PolarHBondContact O-N 3.42Å; L894-F896 PolarHBondContact O-N 3.01Å
897	L	68.6	Low	65.8	Low	39 Å²	39	78.5 Å²	78.5	20%	0.204	40%	0.401	C	S	.	.	S	Bend	trans	-91.2	147.6	-175.6	-65.2	165.6	0	0	0	113.3	W774 R831 L894 T895	W774-L897 HydrophobicContact CD2-CD1 4.37Å; W774-L897 VanDerWaalsContact CE2-CD1 3.42Å; W774-L897 HydrophobicContact CH2-CD1 4.39Å; W774-L897 HydrophobicContact CZ2-CD1 3.46Å; W774-L897 VanDerWaalsContact CZ2-CD1 3.46Å; W774-L897 HydrophobicContact CZ2-CD2 3.99Å; W774-L897 HydrophobicContact CZ2-CG 4.12Å; W774-L897 VanDerWaalsContact NE1-CD1 3.3Å; R831-L897 WeakPolarHBondContact CD-O 3.46Å; L894-L897 HydrophobicContact CD2-CD1 4.03Å; L894-L897 PolarHBondContact O-N 3.41Å; T895-L897 VanDerWaalsContact C-N 3.35Å
898	P	53.9	Low	63	Low	103 Å²	103	80.5 Å²	80.5	67%	0.669	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-73.1	135.3	173.6	28.9	-31.7	0	0	0	111.4
899	P	52	Low	59.8	Low	48 Å²	48	91.8 Å²	91.8	31%	0.312	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-73.5	158.6	170.4	30.2	-26.9	0	0	0	109.9	R831 K901	R831-P899 HydrophobicContact CG-CG 4Å; P899-K901 PolarHBondContact O-N 3.03Å
900	S	50.6	Low	57	Low	80 Å²	80	101.4 Å²	101.4	56%	0.559	51%	0.513	S	S	*	.			trans	-53.9	111.7	171.9	157.3	0	0	0	0	110.1	S902	S900-S902 PolarHBondContact O-N 2.88Å
901	K	44.7	Very low	54.1	Low	197 Å²	197	104.7 Å²	104.7	86%	0.857	55%	0.547	S	S	*	.			trans	-59.6	123.6	176.6	-74.2	-177.5	177.4	-179.7	0	110.1	P899 R903	P899-K901 PolarHBondContact O-N 3.03Å; K901-R903 PolarHBondContact O-N 3.28Å
902	S	40.8	Very low	50.9	Low	90 Å²	90	113.6 Å²	113.6	63%	0.629	59%	0.589	S	S	*	*			trans	-69.8	120.6	158.8	-174.8	0	0	0	0	107.6	S900 D904	S900-S902 PolarHBondContact O-N 2.88Å; S902-D904 VanDerWaalsContact C-N 3.28Å; S902-D904 PolarHBondContact O-N 3.18Å
903	R	38.3	Very low	47.9	Very low	234 Å²	234	124.3 Å²	124.3	88%	0.883	63%	0.629	S	S	*	*			trans	-95.3	67.9	171	-163.1	180	176.2	-175	-2.4	107.6	K901	K901-R903 PolarHBondContact O-N 3.28Å
904	D	40.8	Very low	44.9	Very low	123 Å²	123	130.9 Å²	130.9	66%	0.658	66%	0.658	S	S	*	*			trans	-144.3	73	164.7	-139	3.8	0	0	0	109.5	S902	S902-D904 VanDerWaalsContact C-N 3.28Å; S902-D904 PolarHBondContact O-N 3.18Å
905	N	33.4	Very low	42	Very low	161 Å²	161	138.4 Å²	138.4	86%	0.861	69%	0.693	S	S	*	*			trans	-114.9	88.3	159.4	-93.4	3	0	0	0	106.1
906	R	28.7	Very low	39.2	Very low	227 Å²	227	144.4 Å²	144.4	86%	0.857	73%	0.73	S	S	*	*			trans	-82.9	117.2	148.6	-74.6	-173.3	178	-169.7	-0.2	106.4
907	P	37.2	Very low	36.4	Very low	129 Å²	129	147.1 Å²	147.1	84%	0.838	74%	0.744	S	S	*	*			trans	-75.7	128.6	174.5	30.7	-28.9	0	0	0	108.5
908	G	31.8	Very low	34.5	Very low	71 Å²	71	151 Å²	151	73%	0.732	77%	0.773	S	S	*	*			trans	117.8	85.6	164.5	0	0	0	0	0	115.7
909	R	25.7	Very low	33.1	Very low	250 Å²	250	152 Å²	152	94%	0.943	78%	0.777	S	S	*	*				-179.3	97.6	125.5	-100.7	176.2	173.7	-176.5	-2.4	108.8
910	E	34	Very low	31.9	Very low	204 Å²	204	158.7 Å²	158.7	95%	0.953	80%	0.804	S	S	*	*			trans	-62	135	153.1	-73.3	175	145.5	0	0	108.3
911	G	31.2	Very low	30.8	Very low	70 Å²	70	162.4 Å²	162.4	72%	0.722	82%	0.815	S	S	*	*			trans	152.4	112	172.1	0	0	0	0	0	113.8
912	Q	24.5	Very low	30.1	Very low	190 Å²	190	159.8 Å²	159.8	89%	0.888	81%	0.81	S	S	*	*			trans	82.6	99.9	164.5	-67.5	175.4	-23.1	0	0	118.6	Q914	Q912-Q914 PolarHBondContact O-N 2.95Å
913	R	28.4	Very low	29.5	Very low	226 Å²	226	162 Å²	162	85%	0.853	82%	0.815	S	S	*	*			trans	-40	118.5	138.8	-92.9	174.5	170	-178.2	-2.2	109.3	E915	R913-E915 PolarHBondContact O-N 3.29Å
914	Q	24.6	Very low	29	Very low	186 Å²	186	155.4 Å²	155.4	87%	0.869	81%	0.805	S	S	*	*			trans	-82.1	97.6	152.1	-87	178.3	-18.8	0	0	107	Q912	Q912-Q914 PolarHBondContact O-N 2.95Å
915	E	25.7	Very low	28.6	Very low	158 Å²	158	156.2 Å²	156.2	74%	0.738	81%	0.814	S	S	*	*			trans	-63.6	123.8	150.8	-78.8	172.5	169.5	0	0	106.9	R913 E917	R913-E915 PolarHBondContact O-N 3.29Å; E915-E917 VanDerWaalsContact C-N 3.3Å; E915-E917 PolarHBondContact O-N 3.42Å; E915-E917 VanDerWaalsContact O-N 3.09Å
916	V	27.2	Very low	28.5	Very low	133 Å²	133	159.9 Å²	159.9	81%	0.806	82%	0.816	S	S	*	*			trans	-76.9	92.8	168.1	177.1	0	0	0	0	105.7	C918	V916-C918 PolarHBondContact O-N 3.09Å
917	E	23.3	Very low	28.5	Very low	171 Å²	171	155.8 Å²	155.8	80%	0.799	82%	0.816	S	S	*	*			trans	-71.8	114.4	166.8	-144.4	173.1	-164.8	0	0	107.4	E915 V919	E915-E917 VanDerWaalsContact C-N 3.3Å; E915-E917 PolarHBondContact O-N 3.42Å; E915-E917 VanDerWaalsContact O-N 3.09Å; E917-V919 PolarHBondContact O-N 3.18Å
918	C	27.1	Very low	28.2	Very low	120 Å²	120	154.9 Å²	154.9	81%	0.811	81%	0.807	S	S	*	*			trans	-71	106.1	170.3	-69.8	0	0	0	0	108.3	V916 E920	V916-C918 PolarHBondContact O-N 3.09Å; C918-E920 PolarHBondContact O-N 3.45Å
919	V	26	Very low	28.2	Very low	123 Å²	123	157.9 Å²	157.9	75%	0.745	81%	0.807	S	S	*	*			trans	-77.7	114.7	167	176.2	0	0	0	0	108.2	E917 M921	E917-V919 PolarHBondContact O-N 3.18Å; V919-M921 PolarHBondContact O-N 3.41Å
920	E	26.7	Very low	28.3	Very low	189 Å²	189	153.6 Å²	153.6	88%	0.883	80%	0.798	S	S	*	*			trans	-61.5	113	161.1	-91.7	-178.7	152.2	0	0	108.8	C918 N922	C918-E920 PolarHBondContact O-N 3.45Å; E920-N922 PolarHBondContact O-N 3.27Å
921	M	26.6	Very low	28.1	Very low	159 Å²	159	149.9 Å²	149.9	78%	0.783	78%	0.783	S	S	*	*			trans	-85.8	99.6	159.9	-93.1	-165.5	57	0	0	108.6	V919	V919-M921 PolarHBondContact O-N 3.41Å
922	N	29.4	Very low	28.2	Very low	142 Å²	142	151.8 Å²	151.8	76%	0.759	78%	0.781	S	S	*	*			trans	-80.1	111.9	162.3	-161.5	21	0	0	0	107.3	E920	E920-N922 PolarHBondContact O-N 3.27Å
923	D	28.3	Very low	28.7	Very low	136 Å²	136	149.1 Å²	149.1	73%	0.727	78%	0.777	S	S	*	*			trans	-137.3	95.5	162.2	-109.9	-20.3	0	0	0	109.7
924	S	29.1	Very low	28.9	Very low	96 Å²	96	148.5 Å²	148.5	67%	0.671	80%	0.799	S	S	*	*			trans	-75.7	109.5	165.6	42.7	0	0	0	0	110
925	T	32	Very low	29.2	Very low	140 Å²	140	146.7 Å²	146.7	86%	0.859	80%	0.795	S	S	*	*			trans	-145.1	125.3	146.8	40.4	0	0	0	0	110.9
926	R	30.3	Very low	29.4	Very low	238 Å²	238	146.1 Å²	146.1	90%	0.898	80%	0.798	S	S	*	*			trans	-74	135.1	173	-72	170.8	164.2	167.5	-5.2	110.6
927	V	30.1	Very low	29.5	Very low	140 Å²	140	146.8 Å²	146.8	85%	0.848	80%	0.798	S	S	*	*			trans	-158.8	93.9	140.9	-175.5	0	0	0	0	105.4
928	V	31.2	Very low	29.8	Very low	110 Å²	110	145.4 Å²	145.4	67%	0.667	80%	0.797	S	S	*	*				51	115.6	91.7	-174.4	0	0	0	0	114.9
929	D	30.1	Very low	30	Very low	135 Å²	135	146.9 Å²	146.9	72%	0.722	80%	0.797	S	S	*	*			trans	82	118.8	149.3	-77	-3.8	0	0	0	123.2
930	Q	29.1	Very low	30.3	Very low	160 Å²	160	148.5 Å²	148.5	75%	0.748	80%	0.8	S	S	*	*				115.9	120.5	118.3	-90.2	-177.6	8.3	0	0	119.5
931	I	30.6	Very low	30.5	Very low	126 Å²	126	145.6 Å²	145.6	65%	0.646	79%	0.794	S	S	*	*			trans	91.1	96.7	134.1	-63.7	166.2	0	0	0	118.3
932	T	33.1	Very low	30.8	Very low	109 Å²	109	144.6 Å²	144.6	67%	0.669	80%	0.795	S	S	*	*				31.6	142.1	123	50.7	0	0	0	0	122.7
933	T	33.4	Very low	31	Very low	134 Å²	134	144.8 Å²	144.8	82%	0.822	80%	0.798	S	S	*	*			trans	69.9	132.2	151.5	54.2	0	0	0	0	116.4
934	V	34.5	Very low	31.2	Very low	214 Å²	214	145.6 Å²	145.6	100%	1.297	80%	0.804	S	S	*	*			cis	-143.4	0	37.6	166.8	0	0	0	0	110.8

Retrieved 934 of 934 residues in 2184.7 ms (Link to these results)

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