A0A5K4F9Q8_SCHMA Loading...

Tripartite motif protein trim9, putative

AlphaFold DB , UniProt , Accession A0A5K4F9Q8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 941 aa.

						>A0A5K4F9Q8_SCHMA|A0A5K4F9Q8
MKPVLGSSASSLMSASSSGSTGGGQASAGQHTIAATLTAVHKMDSELRCPSCRRFFQCPLLLPCGHSLCNLCAAGALLPASEPSIAASIAAALQLTTAETFSPASGPPQSSSSSSSTTGSSIGCPSTSNSQGNTQTMGCTSIIPSDSDQMSVVSETDSGVIVSSRPGSYVGRLPVVICSSTSGLGPSQTYSISSSSISLVSSGLICPICNHVVGLFDDKGLSHLPRNRALERIISKFVGPDQSPHSLKVSADLEPFLLNNNTDPINRPGGPLCQLCEEPNIPTENPSSSESNKTETTEQNCLATFWCEQCEIFYCTRCREKCHPARGPLNRHALHSATEGVEIIRQKQRNQPTPCMSHLNIIPNLYCVNCHIPVCNECISNDNSQTFETHSKHEILPLIGVCKSRKTELSQSLQALSERARSATEHIQRLRSKSETVNRNLADSEKELVEQLNTLITAIETKKQELTERLRDERTKRIHCLKEQINRVTSLLTKSTGLIQFCIEMLKESDPSAFLLVSQSLITRTQNAEQNFIQELQHTSFTNDITGSLLSLALSSSKDYSHHSPKKRTLKSTEEISGKYNNAAGNAGGTSTSNRLNKTLDLLGVNSVDAILRAILNLGLEEDQNTKRSEYFQLINQKINDAPAPPAFLIEECISERNVITLVWQPTSSIPIDRYTLELDDGAGGTFRKVYRGVETMCTVEGLHFRSVYRARVKAHNQAGESQYSERICLQTSDFTWFHLDIHTSVPEILLTNGNRTVTSQLSEDRVILGSTGLSRGVHYWEFTVDRCDPGGQPAFGIAKYDCNKEIMLGLDMKSWSIYFDYKRSWFLHNGEHFERTDGGIHAGSVVGIRFDCNRGSLSYYLNDQPHGPIAFTNLPSGIYYPAVSLTRAIQLTLHSGLEAPSESEESDEDSSGGGTGTETTSMATTVLTLPSTLQSKGLRQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.7	Very low	28.1	Very low	248 Å²	248	140.3 Å²	140.3	100%	1.222	87%	0.868	S	S	*	*				0	140.8	0	-67.5	154.7	174.9	0	0	107.1
2	K	26.4	Very low	28	Very low	212 Å²	212	143.2 Å²	143.2	92%	0.922	87%	0.872	S	S	*	*			trans	-104.5	146.4	-169	-82.5	-170.9	171.7	-174.1	0	113.3
3	P	38.5	Very low	27.6	Very low	116 Å²	116	146.5 Å²	146.5	75%	0.753	88%	0.876	S	S	*	*			trans	-103.2	174.9	177.4	41	-35.9	0	0	0	113.7
4	V	33.3	Very low	27.4	Very low	143 Å²	143	145.2 Å²	145.2	87%	0.867	88%	0.877	S	S	*	*			trans	-144.2	157	165.5	-176.1	0	0	0	0	109.6
5	L	27.7	Very low	27.3	Very low	177 Å²	177	141.7 Å²	141.7	93%	0.927	87%	0.87	S	S	*	*			trans	-125.7	168.9	-173.9	-70.4	161.3	0	0	0	112.3
6	G	26.6	Very low	27.2	Very low	65 Å²	65	139.7 Å²	139.7	67%	0.67	86%	0.863	S	S	*	*			trans	114.6	131.4	164.9	0	0	0	0	0	114.1
7	S	25.2	Very low	27.1	Very low	122 Å²	122	138.2 Å²	138.2	85%	0.853	86%	0.86	S	S	*	*			cis	73.6	129.9	33	-49	0	0	0	0	112.8
8	S	26.4	Very low	27.3	Very low	123 Å²	123	137.5 Å²	137.5	86%	0.86	86%	0.861	S	S	*	*			cis	-149.7	173.1	2.5	-72	0	0	0	0	110.7
9	A	24	Very low	27.3	Very low	95 Å²	95	134.3 Å²	134.3	79%	0.785	86%	0.857	S	S	*	*			trans	-111.9	123.8	177.5	0	0	0	0	0	113.4
10	S	23.2	Very low	27.4	Very low	119 Å²	119	134 Å²	134	83%	0.832	86%	0.859	S	S	*	*			trans	-179.2	110	154	-86	0	0	0	0	112.1
11	S	24.7	Very low	27.4	Very low	123 Å²	123	134.8 Å²	134.8	86%	0.86	86%	0.862	S	S	*	*			trans	159.4	127.2	147.9	-79.7	0	0	0	0	111.4
12	L	26.7	Very low	27.3	Very low	175 Å²	175	126.8 Å²	126.8	92%	0.916	84%	0.843	S	S	*	*			trans	-146.1	106.3	163.3	-89.6	179.1	0	0	0	110.4
13	M	22.8	Very low	27.4	Very low	187 Å²	187	120.9 Å²	120.9	92%	0.921	84%	0.842	S	S	*	*			trans	-175.1	97.9	153.1	-94.5	-102.1	179.6	0	0	109.6
14	S	24.7	Very low	26.8	Very low	128 Å²	128	118.7 Å²	118.7	90%	0.895	84%	0.841	S	S	*	*			trans	164.8	146.1	137.7	-75.9	0	0	0	0	113.2
15	A	25.7	Very low	26.5	Very low	93 Å²	93	121.7 Å²	121.7	77%	0.769	85%	0.846	S	S	*	*			trans	-63.4	176.2	-179.8	0	0	0	0	0	114.1
16	S	26	Very low	26.6	Very low	109 Å²	109	117.8 Å²	117.8	76%	0.762	84%	0.839	S	S	*	*			cis	-159.3	-173.9	21.1	-26.8	0	0	0	0	109.1
17	S	25.3	Very low	26.9	Very low	115 Å²	115	118.6 Å²	118.6	80%	0.804	83%	0.834	S	S	*	*			cis	-174.2	155.3	-5.9	38.1	0	0	0	0	108.9
18	S	30.7	Very low	27.3	Very low	125 Å²	125	116.6 Å²	116.6	87%	0.874	83%	0.825	S	S	*	*			trans	-147.5	131.5	159.8	57.2	0	0	0	0	112.5
19	G	27.7	Very low	27.7	Very low	76 Å²	76	113 Å²	113	78%	0.784	81%	0.807	S	S	*	*			trans	-86.2	172.1	-159.4	0	0	0	0	0	118.3
20	S	30	Very low	28.3	Very low	128 Å²	128	115.6 Å²	115.6	90%	0.895	80%	0.803	S	S	*	*			trans	-154.6	151.6	151.2	-80.9	0	0	0	0	109.4
21	T	27.9	Very low	29.1	Very low	151 Å²	151	117.1 Å²	117.1	93%	0.926	80%	0.797	S	S	*	*			trans	-114.5	133.4	-166.5	50.5	0	0	0	0	113.1
22	G	28.7	Very low	30.1	Very low	80 Å²	80	115.4 Å²	115.4	83%	0.825	78%	0.781	S	S	*	*			trans	141.1	148.1	162	0	0	0	0	0	114.7
23	G	30.2	Very low	31.3	Very low	88 Å²	88	112.2 Å²	112.2	91%	0.907	76%	0.764	S	S	*	*			trans	88.2	119.9	174.6	0	0	0	0	0	114.4
24	G	26.2	Very low	32.6	Very low	71 Å²	71	105.8 Å²	105.8	73%	0.732	74%	0.741	S	S	*	*			trans	-107.8	166.6	178.6	0	0	0	0	0	113.9
25	Q	26.5	Very low	33.9	Very low	206 Å²	206	102.7 Å²	102.7	96%	0.963	72%	0.723	S	S	*	*	S	Bend	trans	63.6	53.4	161.5	-58.9	-174.4	-14.9	0	0	118.2
26	A	29.2	Very low	35.2	Very low	94 Å²	94	100.7 Å²	100.7	78%	0.777	70%	0.701	S	S	*	*			trans	-149.5	33.4	170.1	0	0	0	0	0	116.6
27	S	32	Very low	36.5	Very low	82 Å²	82	100.6 Å²	100.6	57%	0.573	69%	0.691	S	S	*	*			trans	-124.2	-14.8	-171.8	56.9	0	0	0	0	117.8	G29	S27-G29 PolarHBondContact O-N 2.72Å
28	A	34.3	Very low	38	Very low	81 Å²	81	98.9 Å²	98.9	67%	0.669	68%	0.676	S	S	*	*	H	α-helix	trans	-64.4	-34.2	-173.4	0	0	0	0	0	114.2	T32	A28-T32 PolarHBondContact O-OG1 3.43Å
29	G	34.7	Very low	39.3	Very low	46 Å²	46	94.6 Å²	94.6	47%	0.474	65%	0.648	S	S	.	*	H	α-helix	trans	-68.2	-41	-177.7	0	0	0	0	0	113.9	S27 T32 I33	S27-G29 PolarHBondContact O-N 2.72Å; G29-T32 PolarHBondContact O-N 2.87Å; G29-I33 WeakPolarHBondContact O-CG1 3.45Å; G29-I33 PolarHBondContact O-N 2.81Å; G29-I33 VanDerWaalsContact O-N 3.07Å
30	Q	37.7	Very low	40.8	Very low	150 Å²	150	91.9 Å²	91.9	70%	0.701	62%	0.616	S	S	*	*	H	α-helix	trans	-69.8	-40.5	-172.7	-70.9	-179.7	-15.9	0	0	112.9	T32 I33 A34	Q30-T32 VanDerWaalsContact C-N 3.3Å; Q30-T32 PolarHBondContact O-N 3.17Å; Q30-I33 PolarHBondContact O-N 2.78Å; Q30-A34 WeakPolarHBondContact O-CB 3.44Å; Q30-A34 PolarHBondContact O-N 3.47Å
31	H	39.7	Very low	42.3	Very low	151 Å²	151	93.2 Å²	93.2	70%	0.699	61%	0.608	S	S	*	*	H	α-helix	trans	-62	-38.4	173.7	-88.2	-82.4	0	0	0	112.3	A35	H31-A35 VanDerWaalsContact O-CB 3.31Å; H31-A35 WeakPolarHBondContact O-CB 3.26Å; H31-A35 PolarHBondContact O-N 3.09Å
32	T	46	Very low	44.4	Very low	88 Å²	88	94 Å²	94	54%	0.54	60%	0.599	S	S	.	*	H	α-helix	trans	-63.4	-48	177	-52.9	0	0	0	0	110.7	A28 G29 Q30 A34 A35 T36	A28-T32 PolarHBondContact O-OG1 3.43Å; G29-T32 PolarHBondContact O-N 2.87Å; Q30-T32 VanDerWaalsContact C-N 3.3Å; Q30-T32 PolarHBondContact O-N 3.17Å; T32-A34 PolarHBondContact O-N 2.94Å; T32-A35 PolarHBondContact O-N 3.06Å; T32-T36 WeakPolarHBondContact O-CB 3.27Å; T32-T36 PolarHBondContact O-N 3.4Å; T32-T36 PolarHBondContact O-OG1 3.32Å
33	I	50.8	Low	46.6	Very low	107 Å²	107	93 Å²	93	55%	0.549	57%	0.574	S	S	.	*	H	α-helix	trans	-61.6	-46.6	179	-65.8	163.8	0	0	0	111.4	G29 Q30 A35 T36 L37	G29-I33 WeakPolarHBondContact O-CG1 3.45Å; G29-I33 PolarHBondContact O-N 2.81Å; G29-I33 VanDerWaalsContact O-N 3.07Å; Q30-I33 PolarHBondContact O-N 2.78Å; I33-A35 PolarHBondContact O-N 3.33Å; I33-T36 PolarHBondContact O-N 3.27Å; I33-L37 HydrophobicContact CG2-CD1 3.93Å; I33-L37 HydrophobicContact CG2-CG 4.44Å; I33-L37 WeakPolarHBondContact O-CG 3.16Å; I33-L37 PolarHBondContact O-N 2.86Å
34	A	50.3	Low	48.8	Very low	53 Å²	53	91.2 Å²	91.2	44%	0.438	54%	0.543	S	S	.	.	H	α-helix	trans	-63.7	-40.2	179.6	0	0	0	0	0	112.7	Q30 T32 T38	Q30-A34 WeakPolarHBondContact O-CB 3.44Å; Q30-A34 PolarHBondContact O-N 3.47Å; T32-A34 PolarHBondContact O-N 2.94Å; A34-T38 WeakPolarHBondContact O-CB 3.25Å; A34-T38 PolarHBondContact O-N 3.46Å; A34-T38 PolarHBondContact O-OG1 3.25Å
35	A	51.4	Low	51.3	Low	62 Å²	62	91.8 Å²	91.8	51%	0.512	54%	0.536	S	S	.	.	H	α-helix	trans	-66.5	-41.2	174.5	0	0	0	0	0	111.8	H31 T32 I33 T38 A39	H31-A35 VanDerWaalsContact O-CB 3.31Å; H31-A35 WeakPolarHBondContact O-CB 3.26Å; H31-A35 PolarHBondContact O-N 3.09Å; T32-A35 PolarHBondContact O-N 3.06Å; I33-A35 PolarHBondContact O-N 3.33Å; A35-T38 PolarHBondContact O-N 2.69Å; A35-A39 WeakPolarHBondContact O-CB 3.33Å; A35-A39 PolarHBondContact O-N 3.43Å
36	T	53.7	Low	54.1	Low	51 Å²	51	88.2 Å²	88.2	31%	0.313	52%	0.519	S	S	.	.	H	α-helix	trans	-62.2	-47.8	175.4	-60	0	0	0	0	111.6	T32 I33 T38 A39 V40 F237	T32-T36 WeakPolarHBondContact O-CB 3.27Å; T32-T36 PolarHBondContact O-N 3.4Å; T32-T36 PolarHBondContact O-OG1 3.32Å; I33-T36 PolarHBondContact O-N 3.27Å; T36-T38 VanDerWaalsContact C-N 3.32Å; T36-T38 PolarHBondContact O-N 3.07Å; T36-A39 WeakPolarHBondContact O-CB 3.42Å; T36-A39 PolarHBondContact O-N 3.14Å; T36-A39 VanDerWaalsContact O-N 3.11Å; T36-V40 VanDerWaalsContact O-CG2 3.25Å; T36-V40 WeakPolarHBondContact O-CG2 3.31Å; T36-V40 PolarHBondContact O-N 2.97Å; T36-F237 HydrophobicContact CG2-CD1 3.82Å; T36-F237 HydrophobicContact CG2-CE1 4.22Å
37	L	53.6	Low	56.8	Low	108 Å²	108	84 Å²	84	57%	0.565	48%	0.483	S	S	*	.	H	α-helix	trans	-60.9	-40.2	176.5	-72	169.4	0	0	0	112.1	I33 A39 V40 H41	I33-L37 HydrophobicContact CG2-CD1 3.93Å; I33-L37 HydrophobicContact CG2-CG 4.44Å; I33-L37 WeakPolarHBondContact O-CG 3.16Å; I33-L37 PolarHBondContact O-N 2.86Å; L37-A39 VanDerWaalsContact C-N 3.3Å; L37-A39 PolarHBondContact O-N 3.15Å; L37-V40 PolarHBondContact O-N 3.45Å; L37-H41 PolarHBondContact O-N 3.33Å
38	T	57	Low	59.5	Low	79 Å²	79	83.7 Å²	83.7	49%	0.485	47%	0.469	S	S	.	.	H	α-helix	trans	-65.9	-32.8	175.5	-56.2	0	0	0	0	112.2	A34 A35 T36 K42	A34-T38 WeakPolarHBondContact O-CB 3.25Å; A34-T38 PolarHBondContact O-N 3.46Å; A34-T38 PolarHBondContact O-OG1 3.25Å; A35-T38 PolarHBondContact O-N 2.69Å; T36-T38 VanDerWaalsContact C-N 3.32Å; T36-T38 PolarHBondContact O-N 3.07Å; T38-K42 WeakPolarHBondContact O-CG 3.42Å; T38-K42 PolarHBondContact O-N 3.45Å
39	A	57.2	Low	62	Low	35 Å²	35	79.8 Å²	79.8	29%	0.289	44%	0.438	S	S	.	.	H	α-helix	trans	-71.9	-43.1	173.1	0	0	0	0	0	111.8	A35 T36 L37 H41 K42 M43	A35-A39 WeakPolarHBondContact O-CB 3.33Å; A35-A39 PolarHBondContact O-N 3.43Å; T36-A39 WeakPolarHBondContact O-CB 3.42Å; T36-A39 PolarHBondContact O-N 3.14Å; T36-A39 VanDerWaalsContact O-N 3.11Å; L37-A39 VanDerWaalsContact C-N 3.3Å; L37-A39 PolarHBondContact O-N 3.15Å; A39-H41 VanDerWaalsContact C-N 3.33Å; A39-H41 PolarHBondContact O-N 3.11Å; A39-K42 PolarHBondContact O-N 3.29Å; A39-K42 VanDerWaalsContact O-N 3.12Å; A39-M43 HydrophobicContact CB-CE 4.3Å; A39-M43 WeakPolarHBondContact O-CG 3.36Å; A39-M43 PolarHBondContact O-N 3Å; A39-M43 VanDerWaalsContact O-N 3.1Å
40	V	59.7	Low	64.6	Low	18 Å²	18	79.6 Å²	79.6	11%	0.109	43%	0.428	C	S	.	.	H	α-helix	trans	-54.9	-50.2	174.1	177.5	0	0	0	0	110	T36 L37 K42 M43 D44 F237	T36-V40 VanDerWaalsContact O-CG2 3.25Å; T36-V40 WeakPolarHBondContact O-CG2 3.31Å; T36-V40 PolarHBondContact O-N 2.97Å; L37-V40 PolarHBondContact O-N 3.45Å; V40-K42 PolarHBondContact O-N 3.01Å; V40-K42 VanDerWaalsContact O-N 3.13Å; V40-M43 CarbonylContact O-C 3.56Å; V40-M43 PolarHBondContact O-N 2.95Å; V40-D44 PolarHBondContact O-N 3.38Å; V40-F237 HydrophobicContact CG2-CB 3.95Å; V40-F237 HydrophobicContact CG2-CD1 4.08Å; V40-F237 HydrophobicContact CG2-CG 4.47Å; V40-F237 WeakPolarHBondContact CG2-O 3.36Å
41	H	62.5	Low	66.9	Low	157 Å²	157	75.5 Å²	75.5	73%	0.727	42%	0.416	S	S	*	.	H	α-helix	trans	-66.1	-16.6	-177.9	-152.7	-43.9	0	0	0	113.8	L37 A39	L37-H41 PolarHBondContact O-N 3.33Å; A39-H41 VanDerWaalsContact C-N 3.33Å; A39-H41 PolarHBondContact O-N 3.11Å
42	K	71	Confident	69.1	Low	168 Å²	168	70.6 Å²	70.6	73%	0.73	40%	0.398	S	S	*	.	H	α-helix	trans	-92.5	-15.1	172.2	-72.7	178.2	179.6	-175.1	0	113.9	T38 A39 V40	T38-K42 WeakPolarHBondContact O-CG 3.42Å; T38-K42 PolarHBondContact O-N 3.45Å; A39-K42 PolarHBondContact O-N 3.29Å; A39-K42 VanDerWaalsContact O-N 3.12Å; V40-K42 PolarHBondContact O-N 3.01Å; V40-K42 VanDerWaalsContact O-N 3.13Å
43	M	75.7	Confident	71.1	Confident	59 Å²	59	76 Å²	76	29%	0.291	41%	0.409	S	S	.	.	S	Bend	trans	-109.2	7.1	177	-61.2	-176.8	-61.5	0	0	112.1	A39 V40 S45 E46 L47 F237	A39-M43 HydrophobicContact CB-CE 4.3Å; A39-M43 WeakPolarHBondContact O-CG 3.36Å; A39-M43 PolarHBondContact O-N 3Å; A39-M43 VanDerWaalsContact O-N 3.1Å; V40-M43 CarbonylContact O-C 3.56Å; V40-M43 PolarHBondContact O-N 2.95Å; M43-S45 PolarHBondContact O-N 3.36Å; M43-E46 WeakPolarHBondContact O-CB 3.36Å; M43-E46 PolarHBondContact O-N 3.15Å; M43-L47 HydrophobicContact CB-CD1 4.14Å; M43-L47 HydrophobicContact CB-CG 4.24Å; M43-L47 WeakPolarHBondContact O-CG 3.33Å; M43-L47 PolarHBondContact O-N 2.92Å; M43-L47 VanDerWaalsContact O-N 3.09Å; M43-F237 HydrophobicContact CE-CD1 4.1Å; M43-F237 HydrophobicContact CE-CD2 4.27Å; M43-F237 HydrophobicContact CE-CE1 4.01Å; M43-F237 HydrophobicContact CE-CE2 4.18Å; M43-F237 HydrophobicContact CE-CG 4.24Å; M43-F237 HydrophobicContact CE-CZ 4.05Å
44	D	76.7	Confident	72.8	Confident	49 Å²	49	78.7 Å²	78.7	26%	0.262	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-28.5	-168.6	-167.1	71.6	0	0	0	113.2	V40 R48	V40-D44 PolarHBondContact O-N 3.38Å; D44-R48 WeakPolarHBondContact O-CD 3.49Å; D44-R48 VanDerWaalsContact O-CG 3.23Å; D44-R48 WeakPolarHBondContact O-CG 3.45Å; D44-R48 IonicContact OD1-CZ 2.73Å; D44-R48 IonicContact OD1-NE 3.26Å; D44-R48 PolarHBondContact OD1-NE 3.11Å; D44-R48 IonicContact OD1-NH2 2.73Å; D44-R48 PolarHBondContact OD1-NH2 3.35Å; D44-R48 IonicContact OD2-CZ 2.74Å; D44-R48 IonicContact OD2-NE 3.59Å; D44-R48 PolarHBondContact OD2-NE 2.98Å; D44-R48 IonicContact OD2-NH2 3.29Å
45	S	77.8	Confident	74.5	Confident	83 Å²	83	78 Å²	78	58%	0.58	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-45.8	168.6	50.9	0	0	0	0	112.6	M43 L47	M43-S45 PolarHBondContact O-N 3.36Å; S45-L47 VanDerWaalsContact C-N 3.32Å; S45-L47 PolarHBondContact O-N 2.92Å
46	E	85.1	Confident	76.1	Confident	132 Å²	132	75.8 Å²	75.8	62%	0.617	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-23.3	-174.8	-47.2	-47.8	116.2	0	0	112.8	M43	M43-E46 WeakPolarHBondContact O-CB 3.36Å; M43-E46 PolarHBondContact O-N 3.15Å
47	L	86.5	Confident	77.6	Confident	4 Å²	4	78.6 Å²	78.6	2%	0.021	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-7.6	-177.8	-60.1	178.3	0	0	0	113.3	M43 S45 F55 F56 L230 I233 I234	M43-L47 HydrophobicContact CB-CD1 4.14Å; M43-L47 HydrophobicContact CB-CG 4.24Å; M43-L47 WeakPolarHBondContact O-CG 3.33Å; M43-L47 PolarHBondContact O-N 2.92Å; M43-L47 VanDerWaalsContact O-N 3.09Å; S45-L47 VanDerWaalsContact C-N 3.32Å; S45-L47 PolarHBondContact O-N 2.92Å; L47-F55 HydrophobicContact CB-CD1 3.95Å; L47-F55 HydrophobicContact CB-CE1 4.12Å; L47-F55 WeakPolarHBondContact O-CA 3.32Å; L47-F56 VanDerWaalsContact O-CD2 3.29Å; L47-F56 WeakPolarHBondContact O-CD2 3.49Å; L47-F56 PolarHBondContact O-N 3.44Å; L47-L230 HydrophobicContact CD2-CD1 4.06Å; L47-I233 HydrophobicContact CD2-CG2 3.65Å; L47-I234 HydrophobicContact CB-CG1 4.37Å; L47-I234 HydrophobicContact CD2-CG1 3.92Å
48	R	88.3	Confident	79	Confident	76 Å²	76	75 Å²	75	29%	0.287	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-109.4	140.7	-176.2	-72.2	177.2	-170.9	-64.9	-20.2	113.1	D44 R53 R54 F55 F56	D44-R48 WeakPolarHBondContact O-CD 3.49Å; D44-R48 VanDerWaalsContact O-CG 3.23Å; D44-R48 WeakPolarHBondContact O-CG 3.45Å; D44-R48 IonicContact OD1-CZ 2.73Å; D44-R48 IonicContact OD1-NE 3.26Å; D44-R48 PolarHBondContact OD1-NE 3.11Å; D44-R48 IonicContact OD1-NH2 2.73Å; D44-R48 PolarHBondContact OD1-NH2 3.35Å; D44-R48 IonicContact OD2-CZ 2.74Å; D44-R48 IonicContact OD2-NE 3.59Å; D44-R48 PolarHBondContact OD2-NE 2.98Å; D44-R48 IonicContact OD2-NH2 3.29Å; R48-R53 WeakPolarHBondContact CD-O 3.23Å; R48-R53 PolarHBondContact NH1-O 2.91Å; R48-R54 WeakPolarHBondContact CA-O 3.34Å; R48-F55 HydrophobicContact CG-CD1 4.27Å; R48-F56 WeakPolarHBondContact O-CE2 3.39Å; R48-F56 VanDerWaalsContact O-CZ 3.25Å; R48-F56 WeakPolarHBondContact O-CZ 3.33Å
49	C	87.6	Confident	80.5	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	35%	0.348	C	S	.	.			trans	-70.1	126.9	171	179.5	0	0	0	0	110.5	S51 C52 R53 R54 F56 C69	C49-S51 VanDerWaalsContact C-N 3.28Å; C49-S51 PolarHBondContact O-N 2.97Å; C49-C52 PolarHBondContact O-N 3.36Å; C49-R53 VanDerWaalsContact O-CA 3.27Å; C49-R53 WeakPolarHBondContact O-CA 3.38Å; C49-R53 PolarHBondContact O-N 3.05Å; C49-R54 PolarHBondContact N-O 3.24Å; C49-F56 VanDerWaalsContact CA-CE1 3.41Å; C49-F56 HydrophobicContact CB-CD1 3.71Å; C49-F56 HydrophobicContact CB-CE1 3.62Å; C49-F56 HydrophobicContact CB-CG 4.39Å; C49-F56 HydrophobicContact CB-CZ 4.24Å; C49-C69 WeakPolarHBondContact CB-SG 3.42Å
50	P	87.4	Confident	82	Confident	42 Å²	42	70.1 Å²	70.1	27%	0.273	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-38.5	-178.4	25.1	-36.8	0	0	0	112.3	L68 P207 I208	P50-L68 HydrophobicContact CG-CD2 3.63Å; P50-P207 HydrophobicContact CB-CG 4.21Å; P50-P207 HydrophobicContact CG-CG 3.75Å; P50-I208 HydrophobicContact CB-CD1 4.23Å; P50-I208 HydrophobicContact CB-CG1 4.01Å; P50-I208 HydrophobicContact CG-CD1 3.86Å; P50-I208 HydrophobicContact CG-CG1 3.94Å
51	S	86.6	Confident	83.3	Confident	64 Å²	64	72 Å²	72	45%	0.448	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-40.2	-176.4	-43.5	0	0	0	0	113.7	C49 L68	C49-S51 VanDerWaalsContact C-N 3.28Å; C49-S51 PolarHBondContact O-N 2.97Å; S51-L68 WeakPolarHBondContact OG-CD2 3.42Å
52	C	87.1	Confident	84.3	Confident	48 Å²	48	64.7 Å²	64.7	32%	0.324	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-5.2	-174	73.1	0	0	0	0	115.2	C49 R54 C72	C49-C52 PolarHBondContact O-N 3.36Å; C52-R54 PolarHBondContact O-N 3.4Å; C52-C72 VanDerWaalsContact SG-SG 3.63Å
53	R	87.4	Confident	84.5	Confident	202 Å²	202	58.3 Å²	58.3	76%	0.762	29%	0.288	S	S	*	.			trans	57.5	9.3	177.6	-53.6	-178	-176.6	178.2	0.3	115.7	R48 C49	R48-R53 WeakPolarHBondContact CD-O 3.23Å; R48-R53 PolarHBondContact NH1-O 2.91Å; C49-R53 VanDerWaalsContact O-CA 3.27Å; C49-R53 WeakPolarHBondContact O-CA 3.38Å; C49-R53 PolarHBondContact O-N 3.05Å
54	R	86.3	Confident	84.8	Confident	162 Å²	162	56.8 Å²	56.8	61%	0.611	28%	0.283	S	S	*	.	S	Bend	trans	-89.6	162.1	170	-61.3	177.1	-172.5	-179.5	1.7	109.8	R48 C49 C52	R48-R54 WeakPolarHBondContact CA-O 3.34Å; C49-R54 PolarHBondContact N-O 3.24Å; C52-R54 PolarHBondContact O-N 3.4Å
55	F	85.7	Confident	85.1	Confident	39 Å²	39	57 Å²	57	17%	0.171	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-55.9	145.9	168.8	-64.2	-59.3	0	0	0	110.8	L47 R48 Q57 I234 V238	L47-F55 HydrophobicContact CB-CD1 3.95Å; L47-F55 HydrophobicContact CB-CE1 4.12Å; L47-F55 WeakPolarHBondContact O-CA 3.32Å; R48-F55 HydrophobicContact CG-CD1 4.27Å; F55-Q57 PolarHBondContact O-N 3.32Å; F55-I234 HydrophobicContact CB-CG2 4.16Å; F55-V238 HydrophobicContact CD1-CG2 4.04Å; F55-V238 HydrophobicContact CD2-CG1 3.9Å; F55-V238 HydrophobicContact CD2-CG2 3.96Å; F55-V238 HydrophobicContact CE1-CG2 3.83Å; F55-V238 HydrophobicContact CE2-CB 4.43Å; F55-V238 HydrophobicContact CE2-CG1 3.74Å; F55-V238 HydrophobicContact CE2-CG2 3.73Å; F55-V238 HydrophobicContact CG-CG2 4.11Å; F55-V238 HydrophobicContact CZ-CG1 4.44Å; F55-V238 HydrophobicContact CZ-CG2 3.66Å
56	F	85.6	Confident	85.6	Confident	16 Å²	16	55.9 Å²	55.9	7%	0.07	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-61.7	123.7	-176	-73.6	-82.4	0	0	0	113.3	L47 R48 C49 P59 S67 L230 I234	L47-F56 VanDerWaalsContact O-CD2 3.29Å; L47-F56 WeakPolarHBondContact O-CD2 3.49Å; L47-F56 PolarHBondContact O-N 3.44Å; R48-F56 WeakPolarHBondContact O-CE2 3.39Å; R48-F56 VanDerWaalsContact O-CZ 3.25Å; R48-F56 WeakPolarHBondContact O-CZ 3.33Å; C49-F56 VanDerWaalsContact CA-CE1 3.41Å; C49-F56 HydrophobicContact CB-CD1 3.71Å; C49-F56 HydrophobicContact CB-CE1 3.62Å; C49-F56 HydrophobicContact CB-CG 4.39Å; C49-F56 HydrophobicContact CB-CZ 4.24Å; F56-P59 HydrophobicContact CB-CB 3.92Å; F56-P59 HydrophobicContact CB-CG 3.94Å; F56-P59 HydrophobicContact CD1-CB 3.84Å; F56-P59 HydrophobicContact CG-CB 4.08Å; F56-S67 VanDerWaalsContact CE1-O 3.23Å; F56-S67 WeakPolarHBondContact CE1-O 3.43Å; F56-L230 HydrophobicContact CB-CD2 4.4Å; F56-L230 HydrophobicContact CD2-CD1 4.43Å; F56-L230 HydrophobicContact CD2-CD2 3.47Å; F56-L230 VanDerWaalsContact CD2-CD2 3.47Å; F56-L230 HydrophobicContact CD2-CG 4.06Å; F56-L230 HydrophobicContact CE2-CD2 3.71Å; F56-L230 HydrophobicContact CG-CD2 3.91Å; F56-L230 HydrophobicContact CZ-CD2 4.33Å; F56-I234 HydrophobicContact CB-CD1 3.64Å; F56-I234 HydrophobicContact CD2-CD1 4.2Å; F56-I234 HydrophobicContact CG-CD1 4.44Å
57	Q	84.2	Confident	85.9	Confident	110 Å²	110	50 Å²	50	51%	0.514	26%	0.256	S	S	.	.	S	Bend	trans	-109.2	117.4	171.9	-173.9	68.8	18.4	0	0	108.7	F55 C69	F55-Q57 PolarHBondContact O-N 3.32Å; Q57-C69 PolarHBondContact N-SG 3.15Å; Q57-C69 WeakPolarHBondContact O-CA 3.47Å; Q57-C69 VanDerWaalsContact O-CB 3.27Å; Q57-C69 WeakPolarHBondContact O-CB 3.45Å
58	C	83.3	Confident	86	Confident	32 Å²	32	49.9 Å²	49.9	22%	0.216	26%	0.255	C	S	.	.	S	Bend	trans	47.6	56.9	-173.7	-59	0	0	0	0	112.9	L60 N70 R226 E231	C58-L60 PolarHBondContact O-N 3.21Å; C58-N70 HydrophobicContact CB-CB 3.93Å; C58-N70 WeakPolarHBondContact O-CB 3.49Å; C58-N70 PolarHBondContact O-N 2.99Å; C58-R226 PolarHBondContact SG-NH2 2.99Å; C58-R226 VanDerWaalsContact SG-NH2 3.44Å; C58-E231 WeakPolarHBondContact CA-OE1 3.39Å
59	P	89	Confident	86	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	126.9	179.1	24	-32.4	0	0	0	111.9	F56 L68 R226 N227 L230 E231	F56-P59 HydrophobicContact CB-CB 3.92Å; F56-P59 HydrophobicContact CB-CG 3.94Å; F56-P59 HydrophobicContact CD1-CB 3.84Å; F56-P59 HydrophobicContact CG-CB 4.08Å; P59-L68 CarbonylContact C-O 3.13Å; P59-L68 VanDerWaalsContact CA-O 3.27Å; P59-L68 WeakPolarHBondContact CA-O 3.35Å; P59-R226 CarbonylContact O-C 3.57Å; P59-R226 VanDerWaalsContact O-CA 3.31Å; P59-R226 WeakPolarHBondContact O-CA 3.4Å; P59-N227 HydrophobicContact CB-CB 4.1Å; P59-N227 HydrophobicContact CG-CB 4.05Å; P59-N227 PolarHBondContact O-N 2.82Å; P59-L230 HydrophobicContact CB-CD2 4.29Å; P59-L230 HydrophobicContact CG-CB 4.39Å; P59-L230 HydrophobicContact CG-CD2 4.37Å; P59-L230 HydrophobicContact CG-CG 4.5Å; P59-E231 VanDerWaalsContact CD-CG 3.43Å; P59-E231 HydrophobicContact CG-CG 3.65Å
60	L	88	Confident	86	Confident	11 Å²	11	49.7 Å²	49.7	6%	0.058	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	137.4	162	-56.5	-179.8	0	0	0	108.6	C58 S67 L68 N70 A73 L221 L224	C58-L60 PolarHBondContact O-N 3.21Å; L60-S67 WeakPolarHBondContact O-CA 3.41Å; L60-S67 WeakPolarHBondContact O-CB 3.27Å; L60-L68 PolarHBondContact N-O 3.01Å; L60-L68 PolarHBondContact O-N 3.21Å; L60-L68 VanDerWaalsContact O-N 3.07Å; L60-N70 HydrophobicContact CG-CB 4.41Å; L60-A73 HydrophobicContact CD1-CB 3.96Å; L60-L221 HydrophobicContact CD1-CB 4.11Å; L60-L221 HydrophobicContact CD1-CD2 4.07Å; L60-L224 HydrophobicContact CB-CB 4.26Å; L60-L224 HydrophobicContact CD1-CB 4.36Å; L60-L224 HydrophobicContact CD1-CD1 4.23Å
61	L	86.6	Confident	85.9	Confident	59 Å²	59	54.6 Å²	54.6	31%	0.309	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	124.3	172.6	-178.1	66.6	0	0	0	109.3	G65 P225 N227	L61-G65 VanDerWaalsContact CD1-O 3.23Å; L61-G65 WeakPolarHBondContact CD1-O 3.36Å; L61-P225 HydrophobicContact CB-CG 4.3Å; L61-P225 VanDerWaalsContact CB-O 3.29Å; L61-P225 WeakPolarHBondContact CB-O 3.41Å; L61-P225 PolarHBondContact N-O 2.91Å; L61-N227 HydrophobicContact CB-CB 4.3Å
62	L	85.2	Confident	86	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.016	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-85.6	154.7	175.7	-54.6	-179	0	0	0	110.3	C64 G65 H66 L68 L204 C206 L224	L62-C64 PolarHBondContact O-N 2.95Å; L62-C64 VanDerWaalsContact O-N 3.11Å; L62-G65 PolarHBondContact O-N 3.09Å; L62-H66 WeakPolarHBondContact CB-O 3.42Å; L62-H66 PolarHBondContact N-O 2.91Å; L62-L68 HydrophobicContact CD1-CD1 4.11Å; L62-L68 HydrophobicContact CD1-CG 4.22Å; L62-L204 HydrophobicContact CD2-CD2 3.74Å; L62-C206 HydrophobicContact CD1-CB 3.85Å; L62-L224 HydrophobicContact CD2-CD1 4.12Å
63	P	75.3	Confident	86	Confident	33 Å²	33	50.4 Å²	50.4	21%	0.214	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-28.6	177.4	-28.3	36.2	0	0	0	115.1	G65 V176 V213	P63-G65 PolarHBondContact O-N 3.43Å; P63-V176 HydrophobicContact CB-CB 3.69Å; P63-V176 HydrophobicContact CB-CG1 3.58Å; P63-V176 HydrophobicContact CB-CG2 3.76Å; P63-V176 HydrophobicContact CG-CB 3.88Å; P63-V176 HydrophobicContact CG-CG1 3.54Å; P63-V213 HydrophobicContact CG-CG1 4.18Å; P63-V213 HydrophobicContact CG-CG2 4.39Å
64	C	80.2	Confident	85.9	Confident	28 Å²	28	43 Å²	43	19%	0.189	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	8.3	173.6	64.7	0	0	0	0	114.5	L62 H66 C206 H211	L62-C64 PolarHBondContact O-N 2.95Å; L62-C64 VanDerWaalsContact O-N 3.11Å; C64-H66 PolarHBondContact O-N 3.34Å; C64-C206 VanDerWaalsContact SG-SG 3.61Å; C64-H211 HydrophobicContact CB-CB 4.02Å
65	G	83.5	Confident	85.8	Confident	52 Å²	52	38.8 Å²	38.8	54%	0.536	24%	0.243	S	C	.	.	S	Bend	trans	81.4	-16.6	178.9	0	0	0	0	0	115.7	L61 L62 P63	L61-G65 VanDerWaalsContact CD1-O 3.23Å; L61-G65 WeakPolarHBondContact CD1-O 3.36Å; L62-G65 PolarHBondContact O-N 3.09Å; P63-G65 PolarHBondContact O-N 3.43Å
66	H	88.3	Confident	85.8	Confident	60 Å²	60	38.7 Å²	38.7	28%	0.278	25%	0.249	S	C	.	.			trans	-73.9	161.9	175	-63	115.1	0	0	0	112.4	L62 C64 I208 C209	L62-H66 WeakPolarHBondContact CB-O 3.42Å; L62-H66 PolarHBondContact N-O 2.91Å; C64-H66 PolarHBondContact O-N 3.34Å; H66-I208 HydrophobicContact CB-CD1 4.22Å; H66-I208 WeakPolarHBondContact NE2-CG2 3.37Å; H66-C209 PolarHBondContact ND1-SG 3.41Å
67	S	90.9	Very high	85.8	Confident	10 Å²	10	40.8 Å²	40.8	7%	0.07	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	152.9	178.5	-63.5	0	0	0	0	112.4	F56 L60 N227	F56-S67 VanDerWaalsContact CE1-O 3.23Å; F56-S67 WeakPolarHBondContact CE1-O 3.43Å; L60-S67 WeakPolarHBondContact O-CA 3.41Å; L60-S67 WeakPolarHBondContact O-CB 3.27Å; S67-N227 PolarHBondContact OG-ND2 3.4Å
68	L	89.1	Confident	85.8	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	143.6	171.5	-70.3	-179.7	0	0	0	109.8	P50 S51 P59 L60 L62 A73 L204 P207	P50-L68 HydrophobicContact CG-CD2 3.63Å; S51-L68 WeakPolarHBondContact OG-CD2 3.42Å; P59-L68 CarbonylContact C-O 3.13Å; P59-L68 VanDerWaalsContact CA-O 3.27Å; P59-L68 WeakPolarHBondContact CA-O 3.35Å; L60-L68 PolarHBondContact N-O 3.01Å; L60-L68 PolarHBondContact O-N 3.21Å; L60-L68 VanDerWaalsContact O-N 3.07Å; L62-L68 HydrophobicContact CD1-CD1 4.11Å; L62-L68 HydrophobicContact CD1-CG 4.22Å; L68-A73 HydrophobicContact CB-CB 4.3Å; L68-L204 HydrophobicContact CD1-CD1 4.14Å; L68-L204 HydrophobicContact CD1-CD2 4.27Å; L68-L204 HydrophobicContact CD1-CG 4.48Å; L68-P207 HydrophobicContact CD2-CG 3.9Å
69	C	88.6	Confident	85.8	Confident	7 Å²	7	40.5 Å²	40.5	5%	0.047	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	141.9	169.5	-59.9	0	0	0	0	110.3	C49 Q57 L71 C72 A73	C49-C69 WeakPolarHBondContact CB-SG 3.42Å; Q57-C69 PolarHBondContact N-SG 3.15Å; Q57-C69 WeakPolarHBondContact O-CA 3.47Å; Q57-C69 VanDerWaalsContact O-CB 3.27Å; Q57-C69 WeakPolarHBondContact O-CB 3.45Å; C69-L71 VanDerWaalsContact C-N 3.29Å; C69-L71 PolarHBondContact O-N 2.95Å; C69-C72 HydrophobicContact CB-CB 4.05Å; C69-C72 CarbonylContact O-C 3.57Å; C69-C72 WeakPolarHBondContact O-CA 3.37Å; C69-C72 WeakPolarHBondContact O-CB 3.34Å; C69-C72 PolarHBondContact O-N 3.15Å; C69-A73 PolarHBondContact O-N 2.89Å
70	N	87	Confident	85.2	Confident	65 Å²	65	41.6 Å²	41.6	35%	0.348	27%	0.273	S	S	.	.	H	α-helix	trans	-49	-47.9	179.8	-173.9	35	0	0	0	112.9	C58 L60 C72 A73 A74	C58-N70 HydrophobicContact CB-CB 3.93Å; C58-N70 WeakPolarHBondContact O-CB 3.49Å; C58-N70 PolarHBondContact O-N 2.99Å; L60-N70 HydrophobicContact CG-CB 4.41Å; N70-C72 VanDerWaalsContact C-N 3.29Å; N70-C72 PolarHBondContact O-N 3.39Å; N70-A73 PolarHBondContact O-N 2.73Å; N70-A74 WeakPolarHBondContact O-CB 3.34Å; N70-A74 PolarHBondContact O-N 2.73Å
71	L	86.8	Confident	84.7	Confident	144 Å²	144	45.8 Å²	45.8	75%	0.754	30%	0.303	S	S	*	.	H	α-helix	trans	-66	-27	176.9	-64.5	175	0	0	0	113.8	C69 G75	C69-L71 VanDerWaalsContact C-N 3.29Å; C69-L71 PolarHBondContact O-N 2.95Å; L71-G75 PolarHBondContact O-N 3.4Å
72	C	88.1	Confident	84.6	Confident	24 Å²	24	44.8 Å²	44.8	16%	0.162	30%	0.297	C	S	.	.	H	α-helix	trans	-82.5	-28.7	176	-60.7	0	0	0	0	112.4	C52 C69 N70 A76	C52-C72 VanDerWaalsContact SG-SG 3.63Å; C69-C72 HydrophobicContact CB-CB 4.05Å; C69-C72 CarbonylContact O-C 3.57Å; C69-C72 WeakPolarHBondContact O-CA 3.37Å; C69-C72 WeakPolarHBondContact O-CB 3.34Å; C69-C72 PolarHBondContact O-N 3.15Å; N70-C72 VanDerWaalsContact C-N 3.29Å; N70-C72 PolarHBondContact O-N 3.39Å; C72-A76 WeakPolarHBondContact O-CB 3.47Å; C72-A76 PolarHBondContact O-N 3.09Å
73	A	86.7	Confident	84	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-71.2	-46.1	169.4	0	0	0	0	0	110.4	L60 L68 C69 N70 G75 A76 L77 L204 L221	L60-A73 HydrophobicContact CD1-CB 3.96Å; L68-A73 HydrophobicContact CB-CB 4.3Å; C69-A73 PolarHBondContact O-N 2.89Å; N70-A73 PolarHBondContact O-N 2.73Å; A73-G75 PolarHBondContact O-N 3.19Å; A73-A76 CarbonylContact O-C 3.58Å; A73-A76 PolarHBondContact O-N 3.29Å; A73-L77 PolarHBondContact O-N 2.92Å; A73-L77 VanDerWaalsContact O-N 3.13Å; A73-L204 HydrophobicContact CB-CD2 3.91Å; A73-L221 HydrophobicContact CB-CD1 4.24Å; A73-L221 HydrophobicContact CB-CD2 3.95Å
74	A	85.9	Confident	83.9	Confident	47 Å²	47	47.3 Å²	47.3	39%	0.388	32%	0.315	S	S	.	.	H	α-helix	trans	-59.4	-44.8	175	0	0	0	0	0	112.6	N70 A76 L77 L221	N70-A74 WeakPolarHBondContact O-CB 3.34Å; N70-A74 PolarHBondContact O-N 2.73Å; A74-A76 PolarHBondContact O-N 2.97Å; A74-L77 PolarHBondContact O-N 3.34Å; A74-L221 VanDerWaalsContact CA-CD1 3.45Å; A74-L221 HydrophobicContact CB-CD1 3.87Å
75	G	84.8	Confident	83.6	Confident	73 Å²	73	46 Å²	46	75%	0.753	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	2	174.5	0	0	0	0	0	115.4	L71 A73	L71-G75 PolarHBondContact O-N 3.4Å; A73-G75 PolarHBondContact O-N 3.19Å
76	A	84.9	Confident	83.3	Confident	37 Å²	37	45.4 Å²	45.4	31%	0.306	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	14.7	175.6	0	0	0	0	0	112.4	C72 A73 A74 L204	C72-A76 WeakPolarHBondContact O-CB 3.47Å; C72-A76 PolarHBondContact O-N 3.09Å; A73-A76 CarbonylContact O-C 3.58Å; A73-A76 PolarHBondContact O-N 3.29Å; A74-A76 PolarHBondContact O-N 2.97Å; A76-L204 HydrophobicContact CB-CD1 3.66Å; A76-L204 WeakPolarHBondContact O-CD1 3.35Å
77	L	85.5	Confident	82.6	Confident	60 Å²	60	44 Å²	44	31%	0.314	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	136.1	166.2	-70.7	-177.9	0	0	0	110.1	A73 A74 L204 L215 L221	A73-L77 PolarHBondContact O-N 2.92Å; A73-L77 VanDerWaalsContact O-N 3.13Å; A74-L77 PolarHBondContact O-N 3.34Å; L77-L204 HydrophobicContact CD2-CB 4.41Å; L77-L215 HydrophobicContact CD2-CD1 3.53Å; L77-L221 HydrophobicContact CD1-CD1 3.72Å; L77-L221 HydrophobicContact CD1-CG 4.2Å; L77-L221 HydrophobicContact CD2-CD1 4.05Å; L77-L221 HydrophobicContact CD2-CD2 4.04Å; L77-L221 HydrophobicContact CD2-CG 4.04Å; L77-L221 HydrophobicContact CG-CD1 3.9Å; L77-L221 HydrophobicContact CG-CG 4.41Å
78	L	84	Confident	81.5	Confident	67 Å²	67	44 Å²	44	35%	0.351	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	148.2	173.5	-66.5	166.9	0	0	0	108	E82 I85 S202 G203 I205	L78-E82 HydrophobicContact CB-CB 4.17Å; L78-E82 HydrophobicContact CB-CG 4.25Å; L78-E82 HydrophobicContact CD1-CG 4.14Å; L78-E82 HydrophobicContact CD2-CG 4.43Å; L78-I85 HydrophobicContact CB-CD1 3.45Å; L78-I85 VanDerWaalsContact CB-CD1 3.45Å; L78-I85 HydrophobicContact CD1-CD1 4.08Å; L78-I85 HydrophobicContact CG-CD1 4.38Å; L78-S202 CarbonylContact O-C 3.45Å; L78-S202 VanDerWaalsContact O-CA 3.23Å; L78-S202 WeakPolarHBondContact O-CA 3.32Å; L78-S202 WeakPolarHBondContact O-CB 3.38Å; L78-G203 PolarHBondContact N-O 3.28Å; L78-G203 PolarHBondContact O-N 2.94Å; L78-I205 HydrophobicContact CD1-CD1 4.24Å
79	P	82.9	Confident	80.7	Confident	70 Å²	70	45 Å²	45	46%	0.455	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	154.6	177.3	30.2	-35.6	0	0	0	110.8	S81 E82	P79-S81 PolarHBondContact O-N 3.17Å; P79-E82 HydrophobicContact CG-CB 4.41Å; P79-E82 VanDerWaalsContact O-CB 3.3Å; P79-E82 WeakPolarHBondContact O-CB 3.44Å; P79-E82 PolarHBondContact O-N 3.49Å
80	A	77.9	Confident	79.8	Confident	23 Å²	23	46.4 Å²	46.4	19%	0.19	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-11.6	176.4	0	0	0	0	0	114.3	I89 V200 S201	A80-I89 HydrophobicContact CB-CD1 4.1Å; A80-V200 HydrophobicContact CB-CG1 4.28Å; A80-V200 WeakPolarHBondContact CB-O 3.31Å; A80-S201 WeakPolarHBondContact CB-O 3.29Å; A80-S201 PolarHBondContact N-O 3.3Å
81	S	77.6	Confident	78.9	Confident	98 Å²	98	45.1 Å²	45.1	69%	0.685	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-1.7	172.1	65.7	0	0	0	0	114.5	P79	P79-S81 PolarHBondContact O-N 3.17Å
82	E	82.8	Confident	77.8	Confident	39 Å²	39	38.9 Å²	38.9	18%	0.182	28%	0.28	C	S	.	.	S	Bend	trans	-71.3	135	174.4	-175.4	-77.7	138.6	0	0	109.8	L78 P79 S84 I85 A86	L78-E82 HydrophobicContact CB-CB 4.17Å; L78-E82 HydrophobicContact CB-CG 4.25Å; L78-E82 HydrophobicContact CD1-CG 4.14Å; L78-E82 HydrophobicContact CD2-CG 4.43Å; P79-E82 HydrophobicContact CG-CB 4.41Å; P79-E82 VanDerWaalsContact O-CB 3.3Å; P79-E82 WeakPolarHBondContact O-CB 3.44Å; P79-E82 PolarHBondContact O-N 3.49Å; E82-S84 VanDerWaalsContact CD-N 3.27Å; E82-S84 PolarHBondContact O-N 3.28Å; E82-S84 VanDerWaalsContact OE1-CB 3.3Å; E82-S84 WeakPolarHBondContact OE1-CB 3.45Å; E82-S84 PolarHBondContact OE1-N 3.04Å; E82-S84 PolarHBondContact OE1-OG 3.41Å; E82-S84 WeakPolarHBondContact OE2-CA 3.49Å; E82-S84 WeakPolarHBondContact OE2-CB 3.3Å; E82-S84 PolarHBondContact OE2-N 3.24Å; E82-S84 VanDerWaalsContact OE2-N 3.09Å; E82-S84 PolarHBondContact OE2-OG 3.08Å; E82-I85 HydrophobicContact CB-CD1 4.46Å; E82-I85 PolarHBondContact O-N 3.02Å; E82-I85 PolarHBondContact OE2-N 3.42Å; E82-A86 WeakPolarHBondContact O-CB 3.27Å; E82-A86 PolarHBondContact O-N 3.41Å
83	P	74.1	Confident	76.8	Confident	30 Å²	30	40.4 Å²	40.4	20%	0.195	29%	0.286	C	S	.	.	H	α-helix	trans	-55.4	-42.7	-169.5	-29.7	36.3	0	0	0	115.3	I85 A86 A87 N863	P83-I85 VanDerWaalsContact C-N 3.33Å; P83-I85 PolarHBondContact O-N 3.12Å; P83-A86 PolarHBondContact O-N 3.19Å; P83-A87 VanDerWaalsContact O-CB 3.3Å; P83-A87 WeakPolarHBondContact O-CB 3.3Å; P83-A87 PolarHBondContact O-N 3.48Å; P83-N863 HydrophobicContact CB-CB 4.38Å
84	S	73	Confident	75.6	Confident	59 Å²	59	46.3 Å²	46.3	41%	0.413	31%	0.314	S	S	.	.	H	α-helix	trans	-64	-39.4	-178.4	-39	0	0	0	0	111.8	E82 S88	E82-S84 VanDerWaalsContact CD-N 3.27Å; E82-S84 PolarHBondContact O-N 3.28Å; E82-S84 VanDerWaalsContact OE1-CB 3.3Å; E82-S84 WeakPolarHBondContact OE1-CB 3.45Å; E82-S84 PolarHBondContact OE1-N 3.04Å; E82-S84 PolarHBondContact OE1-OG 3.41Å; E82-S84 WeakPolarHBondContact OE2-CA 3.49Å; E82-S84 WeakPolarHBondContact OE2-CB 3.3Å; E82-S84 PolarHBondContact OE2-N 3.24Å; E82-S84 VanDerWaalsContact OE2-N 3.09Å; E82-S84 PolarHBondContact OE2-OG 3.08Å; S84-S88 WeakPolarHBondContact O-CB 3.31Å; S84-S88 PolarHBondContact O-N 2.94Å; S84-S88 PolarHBondContact O-OG 3.48Å
85	I	73.5	Confident	74.2	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-76.1	-40.7	175.8	-71.4	157.6	0	0	0	111.5	L78 E82 P83 S88 I89 V212	L78-I85 HydrophobicContact CB-CD1 3.45Å; L78-I85 VanDerWaalsContact CB-CD1 3.45Å; L78-I85 HydrophobicContact CD1-CD1 4.08Å; L78-I85 HydrophobicContact CG-CD1 4.38Å; E82-I85 HydrophobicContact CB-CD1 4.46Å; E82-I85 PolarHBondContact O-N 3.02Å; E82-I85 PolarHBondContact OE2-N 3.42Å; P83-I85 VanDerWaalsContact C-N 3.33Å; P83-I85 PolarHBondContact O-N 3.12Å; I85-S88 WeakPolarHBondContact O-CB 3.49Å; I85-S88 PolarHBondContact O-N 3.22Å; I85-I89 HydrophobicContact CG2-CD1 3.64Å; I85-I89 HydrophobicContact CG2-CG1 4.32Å; I85-I89 VanDerWaalsContact O-CG1 3.28Å; I85-I89 WeakPolarHBondContact O-CG1 3.39Å; I85-I89 PolarHBondContact O-N 2.85Å; I85-V212 HydrophobicContact CG1-CG1 3.87Å
86	A	76.8	Confident	72.7	Confident	39 Å²	39	47.9 Å²	47.9	32%	0.322	30%	0.299	S	S	.	.	H	α-helix	trans	-64.1	-46.5	179	0	0	0	0	0	112	E82 P83 S88 I89 A90	E82-A86 WeakPolarHBondContact O-CB 3.27Å; E82-A86 PolarHBondContact O-N 3.41Å; P83-A86 PolarHBondContact O-N 3.19Å; A86-S88 VanDerWaalsContact C-N 3.28Å; A86-S88 PolarHBondContact O-N 2.97Å; A86-I89 PolarHBondContact O-N 3.33Å; A86-A90 WeakPolarHBondContact O-CB 3.43Å; A86-A90 PolarHBondContact O-N 3.04Å
87	A	73.4	Confident	70.8	Confident	31 Å²	31	50.7 Å²	50.7	26%	0.256	31%	0.312	S	S	.	.	H	α-helix	trans	-61	-39	174.6	0	0	0	0	0	111.7	P83 A90 A91	P83-A87 VanDerWaalsContact O-CB 3.3Å; P83-A87 WeakPolarHBondContact O-CB 3.3Å; P83-A87 PolarHBondContact O-N 3.48Å; A87-A90 PolarHBondContact O-N 3.46Å; A87-A91 PolarHBondContact O-N 3.07Å
88	S	69.3	Low	68.8	Low	9 Å²	9	51.7 Å²	51.7	6%	0.063	33%	0.329	C	S	.	.	H	α-helix	trans	-60.8	-53.3	172.9	-66	0	0	0	0	111.5	S84 I85 A86 A90 A91 A92 V175 V212	S84-S88 WeakPolarHBondContact O-CB 3.31Å; S84-S88 PolarHBondContact O-N 2.94Å; S84-S88 PolarHBondContact O-OG 3.48Å; I85-S88 WeakPolarHBondContact O-CB 3.49Å; I85-S88 PolarHBondContact O-N 3.22Å; A86-S88 VanDerWaalsContact C-N 3.28Å; A86-S88 PolarHBondContact O-N 2.97Å; S88-A90 VanDerWaalsContact C-N 3.27Å; S88-A90 PolarHBondContact O-N 3Å; S88-A91 PolarHBondContact O-N 3.35Å; S88-A91 VanDerWaalsContact O-N 3.15Å; S88-A92 PolarHBondContact O-N 2.97Å; S88-V175 VanDerWaalsContact C-CG2 3.45Å; S88-V175 WeakPolarHBondContact O-CG2 3.42Å; S88-V212 WeakPolarHBondContact OG-CG2 3.47Å
89	I	70.3	Confident	66.6	Low	22 Å²	22	55.8 Å²	55.8	11%	0.113	35%	0.347	C	S	.	.	H	α-helix	trans	-57.4	-40.8	178.8	-69.1	163.8	0	0	0	111.1	A80 I85 A86 A92 L93 I197 V200	A80-I89 HydrophobicContact CB-CD1 4.1Å; I85-I89 HydrophobicContact CG2-CD1 3.64Å; I85-I89 HydrophobicContact CG2-CG1 4.32Å; I85-I89 VanDerWaalsContact O-CG1 3.28Å; I85-I89 WeakPolarHBondContact O-CG1 3.39Å; I85-I89 PolarHBondContact O-N 2.85Å; A86-I89 PolarHBondContact O-N 3.33Å; I89-A92 PolarHBondContact O-N 3.11Å; I89-L93 HydrophobicContact CG2-CD1 4.36Å; I89-L93 PolarHBondContact O-N 3.3Å; I89-I197 HydrophobicContact CG2-CG2 3.82Å; I89-V200 HydrophobicContact CD1-CB 3.96Å; I89-V200 HydrophobicContact CD1-CG1 3.64Å; I89-V200 HydrophobicContact CG1-CG1 4.35Å
90	A	70.6	Confident	64.1	Low	38 Å²	38	58.1 Å²	58.1	31%	0.314	36%	0.36	S	S	.	.	H	α-helix	trans	-62.6	-45.1	175.9	0	0	0	0	0	112.5	A86 A87 S88 A92 L93 Q94	A86-A90 WeakPolarHBondContact O-CB 3.43Å; A86-A90 PolarHBondContact O-N 3.04Å; A87-A90 PolarHBondContact O-N 3.46Å; S88-A90 VanDerWaalsContact C-N 3.27Å; S88-A90 PolarHBondContact O-N 3Å; A90-A92 VanDerWaalsContact C-N 3.27Å; A90-A92 PolarHBondContact O-N 2.91Å; A90-L93 PolarHBondContact O-N 3.31Å; A90-Q94 WeakPolarHBondContact O-CG 3.41Å; A90-Q94 PolarHBondContact O-N 3.43Å
91	A	67.1	Low	62	Low	38 Å²	38	66.6 Å²	66.6	31%	0.314	39%	0.392	S	S	.	.	H	α-helix	trans	-61.9	-34.4	175.4	0	0	0	0	0	112.5	A87 S88 L95	A87-A91 PolarHBondContact O-N 3.07Å; S88-A91 PolarHBondContact O-N 3.35Å; S88-A91 VanDerWaalsContact O-N 3.15Å; A91-L95 WeakPolarHBondContact O-CG 3.49Å; A91-L95 PolarHBondContact O-N 3.21Å
92	A	64.1	Low	59.7	Low	12 Å²	12	67.2 Å²	67.2	10%	0.099	40%	0.397	C	S	.	.	H	α-helix	trans	-68.6	-38.7	174.1	0	0	0	0	0	112.9	S88 I89 A90 L95 V175 I177 I197	S88-A92 PolarHBondContact O-N 2.97Å; I89-A92 PolarHBondContact O-N 3.11Å; A90-A92 VanDerWaalsContact C-N 3.27Å; A90-A92 PolarHBondContact O-N 2.91Å; A92-L95 PolarHBondContact O-N 3.14Å; A92-V175 HydrophobicContact CB-CB 4.16Å; A92-V175 HydrophobicContact CB-CG2 4.03Å; A92-I177 HydrophobicContact CB-CD1 3.54Å; A92-I197 HydrophobicContact CB-CD1 4.28Å
93	L	66.8	Low	57.4	Low	57 Å²	57	71.6 Å²	71.6	30%	0.298	43%	0.429	S	S	.	.	H	α-helix	trans	-64.7	-40.7	174.6	-75	167	0	0	0	112.6	I89 A90 L95 T96 T97 I197	I89-L93 HydrophobicContact CG2-CD1 4.36Å; I89-L93 PolarHBondContact O-N 3.3Å; A90-L93 PolarHBondContact O-N 3.31Å; L93-L95 PolarHBondContact O-N 3.39Å; L93-T96 PolarHBondContact O-N 3.5Å; L93-T96 VanDerWaalsContact O-N 3.16Å; L93-T96 PolarHBondContact O-OG1 3.32Å; L93-T97 PolarHBondContact O-N 2.85Å; L93-T97 PolarHBondContact O-OG1 3Å; L93-I197 HydrophobicContact CD1-CG2 4.25Å; L93-I197 HydrophobicContact CD2-CB 3.7Å; L93-I197 HydrophobicContact CD2-CD1 4.27Å; L93-I197 HydrophobicContact CD2-CG2 3.59Å; L93-I197 HydrophobicContact CG-CB 4.24Å; L93-I197 HydrophobicContact CG-CG2 3.56Å
94	Q	62	Low	55.4	Low	123 Å²	123	75.1 Å²	75.1	58%	0.575	46%	0.461	S	S	*	.	H	α-helix	trans	-61.9	-33.9	179	-71.7	173.2	-2.3	0	0	112.2	A90 T96 T97	A90-Q94 WeakPolarHBondContact O-CG 3.41Å; A90-Q94 PolarHBondContact O-N 3.43Å; Q94-T96 VanDerWaalsContact C-N 3.34Å; Q94-T96 PolarHBondContact O-N 2.95Å; Q94-T97 PolarHBondContact O-OG1 2.96Å
95	L	56.6	Low	53.6	Low	129 Å²	129	78.5 Å²	78.5	68%	0.675	48%	0.484	S	S	*	.	H	α-helix	trans	-69.1	-26.9	177.1	-72.2	167.1	0	0	0	113.4	A91 A92 L93	A91-L95 WeakPolarHBondContact O-CG 3.49Å; A91-L95 PolarHBondContact O-N 3.21Å; A92-L95 PolarHBondContact O-N 3.14Å; L93-L95 PolarHBondContact O-N 3.39Å
96	T	53	Low	51.6	Low	25 Å²	25	82 Å²	82	15%	0.153	52%	0.52	C	S	.	.	H	α-helix	trans	-86.6	-16.7	-179.1	64	0	0	0	0	113.4	L93 Q94 I192 S194 I197	L93-T96 PolarHBondContact O-N 3.5Å; L93-T96 VanDerWaalsContact O-N 3.16Å; L93-T96 PolarHBondContact O-OG1 3.32Å; Q94-T96 VanDerWaalsContact C-N 3.34Å; Q94-T96 PolarHBondContact O-N 2.95Å; T96-I192 WeakPolarHBondContact CG2-O 3.37Å; T96-S194 PolarHBondContact OG1-OG 2.98Å; T96-I197 HydrophobicContact CG2-CD1 3.82Å
97	T	45.7	Very low	49.7	Very low	95 Å²	95	86 Å²	86	58%	0.583	54%	0.543	S	S	*	.	S	Bend	trans	-83.2	-10.9	178.8	41.4	0	0	0	0	115	L93 Q94 E99	L93-T97 PolarHBondContact O-N 2.85Å; L93-T97 PolarHBondContact O-OG1 3Å; Q94-T97 PolarHBondContact O-OG1 2.96Å; T97-E99 PolarHBondContact O-N 3.47Å
98	A	44.2	Very low	48.2	Very low	82 Å²	82	89.6 Å²	89.6	68%	0.678	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-11.5	-169.5	0	0	0	0	0	116.1
99	E	37.8	Very low	46.4	Very low	153 Å²	153	97.9 Å²	97.9	72%	0.715	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	11.6	-171.2	-63.1	-162.4	133.1	0	0	115.6	T97	T97-E99 PolarHBondContact O-N 3.47Å
100	T	28.6	Very low	44.6	Very low	119 Å²	119	101.5 Å²	101.5	73%	0.73	63%	0.629	S	S	*	*			trans	-105.1	70.1	-173.2	-46.6	0	0	0	0	113.9
101	F	33.8	Very low	42.8	Very low	200 Å²	200	104.3 Å²	104.3	88%	0.877	65%	0.646	S	S	*	*			trans	-138.8	108.7	164.4	-95.6	-77.1	0	0	0	113.5
102	S	31.1	Very low	41.1	Very low	112 Å²	112	108 Å²	108	78%	0.783	67%	0.67	S	S	*	*			trans	28.8	133.9	159.1	-61.4	0	0	0	0	122.9
103	P	32.9	Very low	39.6	Very low	130 Å²	130	113.1 Å²	113.1	84%	0.844	71%	0.705	S	S	*	*			trans	-87.8	161.2	178.7	37	-36.9	0	0	0	114.8
104	A	33.5	Very low	38	Very low	105 Å²	105	115.7 Å²	115.7	87%	0.868	73%	0.727	S	S	*	*			trans	-134.5	158.1	165.9	0	0	0	0	0	111.1
105	S	35.1	Very low	36.4	Very low	129 Å²	129	115.1 Å²	115.1	90%	0.902	74%	0.737	S	S	*	*			trans	-114.4	145	-156.1	-50.5	0	0	0	0	115.5
106	G	30.3	Very low	35.3	Very low	74 Å²	74	114.7 Å²	114.7	76%	0.763	75%	0.745	S	S	*	*			trans	132.2	112.3	153.5	0	0	0	0	0	118.3
107	P	37.5	Very low	34.1	Very low	124 Å²	124	119.4 Å²	119.4	81%	0.805	77%	0.774	S	S	*	*			trans	-112.6	-162.9	169.3	45	-35.3	0	0	0	110.8
108	P	41.8	Very low	33.4	Very low	106 Å²	106	121.6 Å²	121.6	69%	0.688	79%	0.787	S	S	*	*			cis	-136.1	-163.5	-4.6	33.7	-9.6	0	0	0	115.4
109	Q	32.2	Very low	32.6	Very low	183 Å²	183	121.2 Å²	121.2	86%	0.855	79%	0.791	S	S	*	*			trans	86.8	138.9	166.3	-55.7	-169	24.6	0	0	117.1
110	S	31.4	Very low	32.2	Very low	98 Å²	98	119.5 Å²	119.5	69%	0.685	80%	0.796	S	S	*	*			cis	-159.7	171	-4.6	54.6	0	0	0	0	114.4
111	S	33.9	Very low	32.1	Very low	97 Å²	97	118.8 Å²	118.8	68%	0.678	80%	0.796	S	S	*	*			trans	65	111.8	152.8	57.2	0	0	0	0	123
112	S	31.5	Very low	31.7	Very low	115 Å²	115	117.8 Å²	117.8	80%	0.804	80%	0.798	S	S	*	*				22.2	148.8	123.4	64.9	0	0	0	0	121.3
113	S	32.1	Very low	31.6	Very low	120 Å²	120	116 Å²	116	84%	0.839	80%	0.797	S	S	*	*			cis	-158.6	-173.1	33.3	63.9	0	0	0	0	115.2
114	S	33.1	Very low	31.3	Very low	110 Å²	110	116 Å²	116	77%	0.769	80%	0.799	S	S	*	*			trans	-90	154.1	-161	54.1	0	0	0	0	119.1
115	S	29.4	Very low	31.3	Very low	111 Å²	111	116.9 Å²	116.9	78%	0.776	80%	0.795	S	S	*	*			trans	-34.2	154.6	162.4	57.3	0	0	0	0	120.9
116	S	31.8	Very low	31	Very low	121 Å²	121	116.1 Å²	116.1	85%	0.846	79%	0.79	S	S	*	*				-174.1	-170.9	130	46	0	0	0	0	112.5
117	T	28.9	Very low	31	Very low	123 Å²	123	118.5 Å²	118.5	76%	0.755	79%	0.79	S	S	*	*			trans	-137.6	160.6	-144.7	-2.5	0	0	0	0	117.2
118	T	31	Very low	30.6	Very low	142 Å²	142	117 Å²	117	87%	0.871	78%	0.783	S	S	*	*			trans	66.7	137.6	154.9	52.1	0	0	0	0	121.7
119	G	26.7	Very low	30.1	Very low	74 Å²	74	119.3 Å²	119.3	76%	0.763	79%	0.789	S	S	*	*			trans	154.8	77.6	154.6	0	0	0	0	0	120.8
120	S	29.6	Very low	30.1	Very low	116 Å²	116	114.7 Å²	114.7	81%	0.811	78%	0.777	S	S	*	*			trans	48.2	118.9	141.5	-55.3	0	0	0	0	124.7
121	S	26.3	Very low	30.3	Very low	105 Å²	105	119.1 Å²	119.1	73%	0.734	79%	0.787	S	S	*	*				81.8	131.6	123.5	-59.9	0	0	0	0	124.4
122	I	26.4	Very low	30.1	Very low	179 Å²	179	117.6 Å²	117.6	92%	0.918	79%	0.787	S	S	*	*			trans	75.9	125.1	153.4	-60.2	157.3	0	0	0	118.4
123	G	28.8	Very low	30.1	Very low	73 Å²	73	119.6 Å²	119.6	75%	0.753	79%	0.788	S	S	*	*			trans	166.1	118.3	164.5	0	0	0	0	0	113.7
124	C	26.1	Very low	30.2	Very low	132 Å²	132	118.7 Å²	118.7	89%	0.892	78%	0.778	S	S	*	*			trans	-91.9	153.4	176.4	-64.1	0	0	0	0	112
125	P	33.1	Very low	30.2	Very low	122 Å²	122	121.7 Å²	121.7	79%	0.792	78%	0.78	S	S	*	*			trans	-93.1	142	-171.2	35.2	-35.5	0	0	0	115.6
126	S	29	Very low	30.3	Very low	113 Å²	113	121.6 Å²	121.6	79%	0.79	78%	0.775	S	S	*	*			trans	-172.7	149.3	162.7	-77.9	0	0	0	0	107.5
127	T	29.8	Very low	30.2	Very low	125 Å²	125	124.9 Å²	124.9	77%	0.767	78%	0.779	S	S	*	*			cis	-156	143.5	8.9	-6.6	0	0	0	0	112
128	S	29.5	Very low	30.2	Very low	93 Å²	93	122 Å²	122	65%	0.65	77%	0.773	S	S	*	*			trans	16.2	127.9	148.9	59.3	0	0	0	0	123.3
129	N	31.4	Very low	30.1	Very low	154 Å²	154	121 Å²	121	82%	0.824	77%	0.771	S	S	*	*				169.8	156.8	121.5	-91.2	-22.5	0	0	0	112.1
130	S	32.2	Very low	30.1	Very low	86 Å²	86	123.6 Å²	123.6	60%	0.601	77%	0.772	S	S	*	*			cis	-171.6	175.8	-30.2	55.5	0	0	0	0	110.4
131	Q	34.9	Very low	30.3	Very low	191 Å²	191	123.1 Å²	123.1	89%	0.893	77%	0.769	S	S	*	*			trans	76.6	137.5	173.6	-48.7	179.7	6.7	0	0	117.3
132	G	30.6	Very low	30.5	Very low	65 Å²	65	124.9 Å²	124.9	67%	0.67	77%	0.768	S	S	*	*			cis	171.7	162.8	-12.2	0	0	0	0	0	115.6
133	N	32.3	Very low	30.8	Very low	157 Å²	157	123.4 Å²	123.4	84%	0.84	76%	0.761	S	S	*	*			trans	70.2	143.6	161.3	-67.8	-1.9	0	0	0	119.2
134	T	32.7	Very low	31.4	Very low	101 Å²	101	124.9 Å²	124.9	62%	0.62	76%	0.757	S	S	*	*			cis	-164.5	155.6	-2.9	10.8	0	0	0	0	113.6
135	Q	34	Very low	31.9	Very low	173 Å²	173	122.8 Å²	122.8	81%	0.808	74%	0.744	S	S	*	*			trans	70.6	150.7	146.8	-71.1	177.5	72.7	0	0	119.2
136	T	30.5	Very low	31.8	Very low	109 Å²	109	123.8 Å²	123.8	67%	0.669	74%	0.743	S	S	*	*			cis	-165.9	136.5	-4.6	-103.7	0	0	0	0	112.1
137	M	31.3	Very low	32.1	Very low	189 Å²	189	123.3 Å²	123.3	93%	0.931	74%	0.74	S	S	*	*			trans	47.2	157.8	157.1	-57.5	-68.3	-172.9	0	0	121.3
138	G	27.5	Very low	32.3	Very low	62 Å²	62	123.7 Å²	123.7	64%	0.639	74%	0.737	S	S	*	*			cis	168.9	171.2	-5.2	0	0	0	0	0	113.6
139	C	29.4	Very low	32.6	Very low	122 Å²	122	125.9 Å²	125.9	82%	0.824	74%	0.737	S	S	*	*			trans	81.2	109.1	175.3	-58.9	0	0	0	0	117.8
140	T	27.8	Very low	32.6	Very low	128 Å²	128	125.3 Å²	125.3	79%	0.785	73%	0.731	S	S	*	*				66.8	133.3	69.3	62.9	0	0	0	0	114.8
141	S	33.1	Very low	32.4	Very low	106 Å²	106	123.4 Å²	123.4	74%	0.741	72%	0.717	S	S	*	*			cis	-141.4	159.7	15.2	57.3	0	0	0	0	110.8
142	I	30.6	Very low	32.4	Very low	142 Å²	142	119.9 Å²	119.9	73%	0.728	71%	0.709	S	S	*	*			cis	69.6	129.9	44.2	-69.7	166.4	0	0	0	112
143	I	32.4	Very low	32.4	Very low	149 Å²	149	122.4 Å²	122.4	76%	0.764	71%	0.711	S	S	*	*			cis	-176.9	174.6	-14.7	-142.1	172.8	0	0	0	107.4
144	P	40.4	Very low	32.3	Very low	104 Å²	104	120.3 Å²	120.3	68%	0.675	71%	0.708	S	S	*	*			cis	-133.6	-155.2	-11.2	43.8	-23.6	0	0	0	114.9
145	S	36.6	Very low	32.3	Very low	88 Å²	88	124 Å²	124	62%	0.615	72%	0.719	S	S	*	*			trans	87.5	101.8	149.3	-79.4	0	0	0	0	124.3
146	D	32.9	Very low	32.3	Very low	142 Å²	142	121.9 Å²	121.9	76%	0.759	72%	0.718	S	S	*	*				68.2	121.8	118.9	-48.2	-29.8	0	0	0	120
147	S	34.8	Very low	32.2	Very low	104 Å²	104	124.9 Å²	124.9	73%	0.727	73%	0.73	S	S	*	*			cis	-157.4	164	8.9	-73.5	0	0	0	0	113.1
148	D	32.8	Very low	32.1	Very low	133 Å²	133	120.7 Å²	120.7	71%	0.711	72%	0.719	S	S	*	*			trans	28.5	143.7	142.7	-77	20.2	0	0	0	122.2
149	Q	36.2	Very low	32.1	Very low	139 Å²	139	121.2 Å²	121.2	65%	0.65	72%	0.724	S	S	*	*			cis	-156.4	-178.8	21.9	-136	160.1	62.2	0	0	113.4	R940	Q149-R940 PolarHBondContact O-NH1 3.24Å
150	M	32	Very low	32.1	Very low	142 Å²	142	122.1 Å²	122.1	70%	0.7	73%	0.726	S	S	*	*			trans	52.8	96.9	159.4	-65.7	-75.6	92.6	0	0	119.6	R940	M150-R940 VanDerWaalsContact C-NH1 3.32Å; M150-R940 PolarHBondContact O-NH1 3.29Å
151	S	28.1	Very low	32.1	Very low	45 Å²	45	123.5 Å²	123.5	32%	0.315	73%	0.727	S	S	.	*			trans	-159.2	115.3	130.8	-179.4	0	0	0	0	108.8	R940	S151-R940 VanDerWaalsContact CB-CD 3.44Å
152	V	34.3	Very low	31.8	Very low	117 Å²	117	123.8 Å²	123.8	71%	0.709	72%	0.724	S	S	*	*			trans	-154.8	136.4	179.8	-149.2	0	0	0	0	103.6
153	V	32	Very low	31.5	Very low	118 Å²	118	122.4 Å²	122.4	72%	0.715	73%	0.727	S	S	*	*			cis	-132.3	155.3	19.1	-150.6	0	0	0	0	110.2	E155	V153-E155 HydrophobicContact CG1-CG 4.04Å
154	S	28.5	Very low	31.2	Very low	113 Å²	113	120 Å²	120	79%	0.79	72%	0.724	S	S	*	*			trans	-123.7	108.1	164.2	59.2	0	0	0	0	109.9
155	E	33.5	Very low	30.5	Very low	178 Å²	178	125.8 Å²	125.8	83%	0.832	73%	0.732	S	S	*	*			trans	-122.1	105.3	174.2	-70.8	-171.4	158.7	0	0	110.4	V153	V153-E155 HydrophobicContact CG1-CG 4.04Å
156	T	33.1	Very low	30	Very low	130 Å²	130	127.7 Å²	127.7	80%	0.798	74%	0.742	S	S	*	*			trans	-126.3	92.9	163.8	53.1	0	0	0	0	108.1
157	D	29.3	Very low	29.7	Very low	171 Å²	171	123.7 Å²	123.7	91%	0.914	74%	0.735	S	S	*	*			trans	-78.4	149.3	165	-167	17.1	0	0	0	110.1
158	S	29.3	Very low	29.3	Very low	102 Å²	102	124 Å²	124	71%	0.713	74%	0.736	S	S	*	*			trans	-125.2	107.3	-161.7	-69	0	0	0	0	113.6
159	G	27.9	Very low	29	Very low	72 Å²	72	127.9 Å²	127.9	74%	0.742	74%	0.743	S	S	*	*			trans	95.8	129.6	148.3	0	0	0	0	0	117.6
160	V	29.4	Very low	28.5	Very low	142 Å²	142	128.5 Å²	128.5	86%	0.861	76%	0.755	S	S	*	*				-133.2	137.1	126.9	175.5	0	0	0	0	107.4
161	I	26.1	Very low	28.2	Very low	156 Å²	156	124.7 Å²	124.7	80%	0.8	75%	0.753	S	S	*	*			trans	-89.3	112.6	178.2	-57.7	165.1	0	0	0	109.2
162	V	28.7	Very low	28.3	Very low	112 Å²	112	134 Å²	134	68%	0.679	78%	0.781	S	S	*	*			trans	-142.6	109.3	149.6	-173.8	0	0	0	0	109.2	S164	V162-S164 WeakPolarHBondContact CG1-OG 3.18Å; V162-S164 PolarHBondContact O-N 3.19Å
163	S	23.7	Very low	28	Very low	114 Å²	114	132.7 Å²	132.7	80%	0.797	77%	0.77	S	S	*	*			trans	-77.4	67.3	171.6	-58.2	0	0	0	0	111.1	R165	S163-R165 PolarHBondContact O-N 3.41Å
164	S	25.9	Very low	28.1	Very low	99 Å²	99	130.8 Å²	130.8	69%	0.692	76%	0.76	S	S	*	*			trans	-66.9	95.8	168.4	-66.7	0	0	0	0	108.9	V162	V162-S164 WeakPolarHBondContact CG1-OG 3.18Å; V162-S164 PolarHBondContact O-N 3.19Å
165	R	25.3	Very low	28.6	Very low	225 Å²	225	126.4 Å²	126.4	85%	0.849	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-47.8	139.9	172	-64.7	178.9	175.5	-174.9	-3	109.6	S163 G167	S163-R165 PolarHBondContact O-N 3.41Å; R165-G167 PolarHBondContact O-N 3.18Å; R165-G167 VanDerWaalsContact O-N 3.08Å
166	P	26.3	Very low	29.3	Very low	127 Å²	127	118.8 Å²	118.8	83%	0.825	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-51.8	119.2	150.6	-18	31.4	0	0	0	106.6	S168	P166-S168 PolarHBondContact O-N 3.06Å
167	G	27	Very low	29.8	Very low	59 Å²	59	112.7 Å²	112.7	61%	0.608	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-58.1	134.8	-177.6	0	0	0	0	0	109.4	R165 Y169	R165-G167 PolarHBondContact O-N 3.18Å; R165-G167 VanDerWaalsContact O-N 3.08Å; G167-Y169 PolarHBondContact O-N 2.76Å
168	S	27	Very low	30.3	Very low	109 Å²	109	105.6 Å²	105.6	76%	0.762	62%	0.62	S	S	*	*			trans	-62.7	106.9	179.8	-156	0	0	0	0	109	P166	P166-S168 PolarHBondContact O-N 3.06Å
169	Y	25.5	Very low	30.5	Very low	216 Å²	216	101.3 Å²	101.3	85%	0.847	59%	0.59	S	S	*	*	S	Bend	trans	-58.7	156.6	152.1	-80.7	-106.8	0	0	0	107.7	G167	G167-Y169 PolarHBondContact O-N 2.76Å
170	V	25.7	Very low	30.7	Very low	151 Å²	151	101.7 Å²	101.7	92%	0.915	58%	0.581	S	S	*	*	S	Bend	trans	65.2	45.8	-164.9	-157.9	0	0	0	0	112.4
171	G	25.3	Very low	31	Very low	63 Å²	63	96.7 Å²	96.7	65%	0.649	55%	0.551	S	S	*	*			trans	-96.6	105	166.6	0	0	0	0	0	111.5
172	R	30.6	Very low	31.5	Very low	239 Å²	239	92.2 Å²	92.2	90%	0.902	53%	0.533	S	S	*	.			trans	-8.1	120.2	174.6	-62.4	179	-179.8	-176.1	-2.8	116.4	P174	R172-P174 VanDerWaalsContact O-CD 3.24Å; R172-P174 WeakPolarHBondContact O-CD 3.43Å
173	L	28.2	Very low	31.9	Very low	91 Å²	91	88 Å²	88	48%	0.476	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-55.8	116.2	177.2	-71.6	165.5	0	0	0	112.1
174	P	33.7	Very low	32.7	Very low	78 Å²	78	85.8 Å²	85.8	51%	0.506	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-73.1	135.2	158.6	-4.3	22.5	0	0	0	107.9	R172 H211	R172-P174 VanDerWaalsContact O-CD 3.24Å; R172-P174 WeakPolarHBondContact O-CD 3.43Å; P174-H211 PolarHBondContact O-CE1 3.4Å; P174-H211 PolarHBondContact O-ND1 2.98Å; P174-H211 PolarHBondContact O-NE2 3.09Å
175	V	39.7	Very low	33.2	Very low	21 Å²	21	82.4 Å²	82.4	13%	0.127	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-93.1	128.2	169.2	-164.4	0	0	0	0	108.7	S88 A92 I177 V212	S88-V175 VanDerWaalsContact C-CG2 3.45Å; S88-V175 WeakPolarHBondContact O-CG2 3.42Å; A92-V175 HydrophobicContact CB-CB 4.16Å; A92-V175 HydrophobicContact CB-CG2 4.03Å; V175-I177 HydrophobicContact CB-CD1 4.42Å; V175-I177 HydrophobicContact CB-CG1 4.07Å; V175-I177 HydrophobicContact CG1-CD1 4.37Å; V175-I177 HydrophobicContact CG1-CG1 3.65Å; V175-I177 PolarHBondContact O-N 3.04Å; V175-V212 HydrophobicContact CG1-CB 4.48Å; V175-V212 HydrophobicContact CG1-CG1 4.42Å
176	V	46.9	Very low	33.7	Very low	18 Å²	18	77 Å²	77	11%	0.109	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	100	161.8	-176.8	0	0	0	0	108.4	P63 C178 L184 V212 V213 G214	P63-V176 HydrophobicContact CB-CB 3.69Å; P63-V176 HydrophobicContact CB-CG1 3.58Å; P63-V176 HydrophobicContact CB-CG2 3.76Å; P63-V176 HydrophobicContact CG-CB 3.88Å; P63-V176 HydrophobicContact CG-CG1 3.54Å; V176-C178 PolarHBondContact O-N 3.03Å; V176-L184 HydrophobicContact CG1-CB 4.24Å; V176-V212 PolarHBondContact N-O 3.3Å; V176-V213 WeakPolarHBondContact O-CA 3.41Å; V176-G214 PolarHBondContact O-N 3.03Å; V176-G214 VanDerWaalsContact O-N 3.12Å
177	I	44.2	Very low	33.9	Very low	2 Å²	2	75.6 Å²	75.6	1%	0.01	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	103.2	175.3	-71.1	173.2	0	0	0	106.6	A92 V175 S179 I192 I197 V200 F216	A92-I177 HydrophobicContact CB-CD1 3.54Å; V175-I177 HydrophobicContact CB-CD1 4.42Å; V175-I177 HydrophobicContact CB-CG1 4.07Å; V175-I177 HydrophobicContact CG1-CD1 4.37Å; V175-I177 HydrophobicContact CG1-CG1 3.65Å; V175-I177 PolarHBondContact O-N 3.04Å; I177-S179 VanDerWaalsContact C-N 3.26Å; I177-S179 PolarHBondContact O-N 3.18Å; I177-I192 HydrophobicContact CB-CD1 4.15Å; I177-I197 HydrophobicContact CD1-CB 4.04Å; I177-I197 HydrophobicContact CD1-CD1 3.93Å; I177-I197 HydrophobicContact CD1-CG1 3.65Å; I177-I197 HydrophobicContact CD1-CG2 3.52Å; I177-I197 HydrophobicContact CG2-CG1 4.47Å; I177-V200 HydrophobicContact CG2-CG2 3.83Å; I177-F216 HydrophobicContact CG2-CE2 3.38Å; I177-F216 HydrophobicContact CG2-CZ 3.54Å
178	C	40.1	Very low	34	Very low	21 Å²	21	80.3 Å²	80.3	14%	0.142	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	71.8	-171.5	-167.1	0	0	0	0	110.4	V176 V213 G214 L215 F216	V176-C178 PolarHBondContact O-N 3.03Å; C178-V213 HydrophobicContact CB-CG1 4.23Å; C178-G214 WeakPolarHBondContact CA-O 3.35Å; C178-G214 WeakPolarHBondContact CB-O 3.16Å; C178-G214 PolarHBondContact N-O 3.18Å; C178-L215 HydrophobicContact CB-CD2 4.04Å; C178-F216 VanDerWaalsContact O-CD2 3.27Å; C178-F216 WeakPolarHBondContact O-CD2 3.38Å
179	S	32.6	Very low	34.2	Very low	13 Å²	13	81.3 Å²	81.3	9%	0.091	47%	0.468	C	S	.	.			trans	-49.4	143.7	165.1	-56.8	0	0	0	0	109.4	I177 T181 S182 F216	I177-S179 VanDerWaalsContact C-N 3.26Å; I177-S179 PolarHBondContact O-N 3.18Å; S179-T181 PolarHBondContact O-N 3.33Å; S179-S182 PolarHBondContact O-N 3.46Å; S179-F216 VanDerWaalsContact OG-CZ 3.23Å; S179-F216 WeakPolarHBondContact OG-CZ 3.34Å
180	S	33.5	Very low	34.5	Very low	79 Å²	79	80.1 Å²	80.1	55%	0.552	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-10.2	168.6	42.3	0	0	0	0	112.8
181	T	34.9	Very low	34.9	Very low	38 Å²	38	76.8 Å²	76.8	23%	0.233	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.6	83.5	164	49.8	0	0	0	0	112.8	S179 F387 E388	S179-T181 PolarHBondContact O-N 3.33Å; T181-F387 HydrophobicContact CG2-CB 3.59Å; T181-F387 WeakPolarHBondContact CG2-O 3.36Å; T181-E388 HydrophobicContact CG2-CB 4.38Å; T181-E388 PolarHBondContact OG1-OE2 3.36Å
182	S	36.9	Very low	35.9	Very low	61 Å²	61	75.2 Å²	75.2	43%	0.427	42%	0.423	S	S	.	.			trans	-175.2	127.3	152.1	-89.3	0	0	0	0	112	S179	S179-S182 PolarHBondContact O-N 3.46Å
183	G	37	Very low	36.6	Very low	24 Å²	24	66.4 Å²	66.4	25%	0.247	40%	0.397	C	S	.	.			trans	-98.8	112.3	168.5	0	0	0	0	0	110.3
184	L	39.3	Very low	37.8	Very low	67 Å²	67	64.3 Å²	64.3	35%	0.351	39%	0.39	S	S	.	.			trans	-112.2	114.6	177.2	-72.9	169.4	0	0	0	110.7	V176 I192	V176-L184 HydrophobicContact CG1-CB 4.24Å; L184-I192 HydrophobicContact CD1-CD1 3.98Å
185	G	37.7	Very low	38.7	Very low	28 Å²	28	64.4 Å²	64.4	29%	0.289	39%	0.393	S	S	.	.			trans	-76.3	158	161.5	0	0	0	0	0	110.8	S187	G185-S187 PolarHBondContact O-N 2.95Å
186	P	35.9	Very low	39.6	Very low	113 Å²	113	65.1 Å²	65.1	73%	0.734	40%	0.399	S	S	*	.	S	Bend	trans	-75.1	29.8	-170.6	32.5	-38.8	0	0	0	114.7
187	S	30	Very low	40.4	Very low	97 Å²	97	64.4 Å²	64.4	68%	0.678	39%	0.394	S	S	*	.	S	Bend	trans	-157.3	50.9	-170.6	-61.5	0	0	0	0	115.5	G185	G185-S187 PolarHBondContact O-N 2.95Å
188	Q	30.2	Very low	41.3	Very low	158 Å²	158	68.3 Å²	68.3	74%	0.738	42%	0.422	S	S	*	.			trans	-171.6	141	144.4	-107.1	148	101.7	0	0	111.6
189	T	29.4	Very low	42.7	Very low	130 Å²	130	72.5 Å²	72.5	80%	0.798	44%	0.443	S	S	*	.			trans	-96.3	112.4	178.5	46	0	0	0	0	110.7
190	Y	32	Very low	44.6	Very low	191 Å²	191	72.6 Å²	72.6	75%	0.749	44%	0.442	S	S	*	.			trans	-142.2	153.5	163	-73.6	-68.1	0	0	0	110	I192	Y190-I192 PolarHBondContact O-N 2.7Å
191	S	33.9	Very low	46.7	Very low	80 Å²	80	71.1 Å²	71.1	56%	0.559	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-67.8	118.7	-159.4	-169.6	0	0	0	0	114.8
192	I	46.6	Very low	48.9	Very low	31 Å²	31	69.8 Å²	69.8	16%	0.159	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-77.3	135.8	153.9	-56.5	176	0	0	0	106.5	T96 I177 L184 Y190 S194 I197	T96-I192 WeakPolarHBondContact CG2-O 3.37Å; I177-I192 HydrophobicContact CB-CD1 4.15Å; L184-I192 HydrophobicContact CD1-CD1 3.98Å; Y190-I192 PolarHBondContact O-N 2.7Å; I192-S194 PolarHBondContact O-N 3.37Å; I192-I197 HydrophobicContact CB-CD1 4.39Å; I192-I197 HydrophobicContact CB-CG1 4.37Å; I192-I197 HydrophobicContact CG2-CD1 4.41Å; I192-I197 HydrophobicContact CG2-CG1 3.87Å
193	S	46.5	Very low	51.1	Low	53 Å²	53	66.9 Å²	66.9	37%	0.371	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-62.3	136.5	176.3	72.6	0	0	0	0	111.4	S195 S196 I197	S193-S195 WeakPolarHBondContact CB-OG 3.49Å; S193-S195 PolarHBondContact O-N 3.17Å; S193-S195 VanDerWaalsContact O-N 3.09Å; S193-S195 PolarHBondContact OG-OG 2.78Å; S193-S196 WeakPolarHBondContact O-CB 3.3Å; S193-S196 PolarHBondContact O-N 3.03Å; S193-S196 PolarHBondContact OG-N 3.14Å; S193-S196 PolarHBondContact OG-OG 3.43Å; S193-I197 PolarHBondContact O-N 2.9Å
194	S	52.9	Low	53.5	Low	47 Å²	47	65.7 Å²	65.7	33%	0.329	39%	0.392	S	S	.	.	H	α-helix	trans	-56.5	-30.8	178.5	-39.2	0	0	0	0	112.4	T96 I192 S196 I197 S198	T96-S194 PolarHBondContact OG1-OG 2.98Å; I192-S194 PolarHBondContact O-N 3.37Å; S194-S196 VanDerWaalsContact C-N 3.33Å; S194-S196 PolarHBondContact O-N 3.46Å; S194-I197 PolarHBondContact O-N 2.78Å; S194-S198 PolarHBondContact O-N 2.95Å
195	S	52.7	Low	55.7	Low	80 Å²	80	64.9 Å²	64.9	56%	0.559	39%	0.387	S	S	*	.	H	α-helix	trans	-64.8	-28.8	173.1	49.7	0	0	0	0	114.5	S193 S198	S193-S195 WeakPolarHBondContact CB-OG 3.49Å; S193-S195 PolarHBondContact O-N 3.17Å; S193-S195 VanDerWaalsContact O-N 3.09Å; S193-S195 PolarHBondContact OG-OG 2.78Å; S195-S198 PolarHBondContact O-OG 3.25Å
196	S	58.6	Low	57.9	Low	36 Å²	36	63.6 Å²	63.6	25%	0.252	37%	0.374	S	S	.	.	H	α-helix	trans	-76.4	-40.7	174.1	-60.4	0	0	0	0	110.6	S193 S194 S198 L199 F216	S193-S196 WeakPolarHBondContact O-CB 3.3Å; S193-S196 PolarHBondContact O-N 3.03Å; S193-S196 PolarHBondContact OG-N 3.14Å; S193-S196 PolarHBondContact OG-OG 3.43Å; S194-S196 VanDerWaalsContact C-N 3.33Å; S194-S196 PolarHBondContact O-N 3.46Å; S196-S198 VanDerWaalsContact C-N 3.26Å; S196-S198 PolarHBondContact O-N 3.07Å; S196-L199 WeakPolarHBondContact O-CB 3.44Å; S196-L199 PolarHBondContact O-N 3.4Å; S196-F216 WeakPolarHBondContact O-CE1 3.41Å; S196-F216 WeakPolarHBondContact O-CZ 3.45Å
197	I	63.6	Low	60.3	Low	3 Å²	3	61.2 Å²	61.2	2%	0.015	36%	0.359	C	S	.	.	H	α-helix	trans	-60.1	-36.2	-179.1	-62.5	-179.9	0	0	0	111.9	I89 A92 L93 T96 I177 I192 S193 S194 L199 V200	I89-I197 HydrophobicContact CG2-CG2 3.82Å; A92-I197 HydrophobicContact CB-CD1 4.28Å; L93-I197 HydrophobicContact CD1-CG2 4.25Å; L93-I197 HydrophobicContact CD2-CB 3.7Å; L93-I197 HydrophobicContact CD2-CD1 4.27Å; L93-I197 HydrophobicContact CD2-CG2 3.59Å; L93-I197 HydrophobicContact CG-CB 4.24Å; L93-I197 HydrophobicContact CG-CG2 3.56Å; T96-I197 HydrophobicContact CG2-CD1 3.82Å; I177-I197 HydrophobicContact CD1-CB 4.04Å; I177-I197 HydrophobicContact CD1-CD1 3.93Å; I177-I197 HydrophobicContact CD1-CG1 3.65Å; I177-I197 HydrophobicContact CD1-CG2 3.52Å; I177-I197 HydrophobicContact CG2-CG1 4.47Å; I192-I197 HydrophobicContact CB-CD1 4.39Å; I192-I197 HydrophobicContact CB-CG1 4.37Å; I192-I197 HydrophobicContact CG2-CD1 4.41Å; I192-I197 HydrophobicContact CG2-CG1 3.87Å; S193-I197 PolarHBondContact O-N 2.9Å; S194-I197 PolarHBondContact O-N 2.78Å; I197-L199 PolarHBondContact O-N 3.31Å; I197-L199 VanDerWaalsContact O-N 3.1Å; I197-V200 WeakPolarHBondContact O-CG2 3.31Å; I197-V200 PolarHBondContact O-N 3.06Å
198	S	63.9	Low	62.8	Low	85 Å²	85	60.9 Å²	60.9	59%	0.594	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-2.6	175.9	49.3	0	0	0	0	115.7	S194 S195 S196	S194-S198 PolarHBondContact O-N 2.95Å; S195-S198 PolarHBondContact O-OG 3.25Å; S196-S198 VanDerWaalsContact C-N 3.26Å; S196-S198 PolarHBondContact O-N 3.07Å
199	L	68.6	Low	65.3	Low	109 Å²	109	56 Å²	56	57%	0.571	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	5.3	179.4	-60.5	173.5	0	0	0	113.7	S196 I197 S201 F216	S196-L199 WeakPolarHBondContact O-CB 3.44Å; S196-L199 PolarHBondContact O-N 3.4Å; I197-L199 PolarHBondContact O-N 3.31Å; I197-L199 VanDerWaalsContact O-N 3.1Å; L199-S201 PolarHBondContact O-N 3Å; L199-F216 HydrophobicContact CB-CD1 3.69Å; L199-F216 HydrophobicContact CB-CE1 3.9Å; L199-F216 WeakPolarHBondContact O-CA 3.33Å
200	V	72.9	Confident	68	Low	14 Å²	14	55 Å²	55	9%	0.085	32%	0.321	C	S	.	.			trans	-67.7	119.3	174	175.4	0	0	0	0	109.8	A80 I89 I177 I197 S202 L215 F216	A80-V200 HydrophobicContact CB-CG1 4.28Å; A80-V200 WeakPolarHBondContact CB-O 3.31Å; I89-V200 HydrophobicContact CD1-CB 3.96Å; I89-V200 HydrophobicContact CD1-CG1 3.64Å; I89-V200 HydrophobicContact CG1-CG1 4.35Å; I177-V200 HydrophobicContact CG2-CG2 3.83Å; I197-V200 WeakPolarHBondContact O-CG2 3.31Å; I197-V200 PolarHBondContact O-N 3.06Å; V200-S202 VanDerWaalsContact CG1-O 3.27Å; V200-S202 WeakPolarHBondContact CG1-O 3.3Å; V200-L215 CarbonylContact C-O 3.49Å; V200-L215 WeakPolarHBondContact CA-O 3.13Å; V200-L215 WeakPolarHBondContact CG1-O 3.17Å; V200-F216 HydrophobicContact CG2-CD2 4.28Å; V200-F216 HydrophobicContact CG2-CE2 3.95Å; V200-F216 HydrophobicContact CG2-CZ 4.39Å
201	S	77	Confident	70.2	Confident	48 Å²	48	47.3 Å²	47.3	34%	0.336	29%	0.292	S	S	.	.			trans	-96.5	-30.4	-178.9	68.9	0	0	0	0	113.2	A80 L199 L215 F216 D217	A80-S201 WeakPolarHBondContact CB-O 3.29Å; A80-S201 PolarHBondContact N-O 3.3Å; L199-S201 PolarHBondContact O-N 3Å; S201-L215 PolarHBondContact N-O 3.39Å; S201-L215 PolarHBondContact OG-O 2.94Å; S201-F216 PolarHBondContact OG-O 2.88Å; S201-D217 PolarHBondContact OG-N 3.44Å
202	S	81.6	Confident	72.4	Confident	10 Å²	10	43.7 Å²	43.7	7%	0.07	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	167.9	-177.7	57.1	0	0	0	0	111.1	L78 V200 L215	L78-S202 CarbonylContact O-C 3.45Å; L78-S202 VanDerWaalsContact O-CA 3.23Å; L78-S202 WeakPolarHBondContact O-CA 3.32Å; L78-S202 WeakPolarHBondContact O-CB 3.38Å; V200-S202 VanDerWaalsContact CG1-O 3.27Å; V200-S202 WeakPolarHBondContact CG1-O 3.3Å; S202-L215 PolarHBondContact N-O 3.42Å; S202-L215 PolarHBondContact O-N 3.36Å
203	G	83.7	Confident	74.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	165.9	176.5	0	0	0	0	0	113.2	L78 V213	L78-G203 PolarHBondContact N-O 3.28Å; L78-G203 PolarHBondContact O-N 2.94Å; G203-V213 CarbonylContact C-O 3.47Å; G203-V213 VanDerWaalsContact CA-O 3.23Å; G203-V213 WeakPolarHBondContact CA-O 3.37Å
204	L	85.8	Confident	75.5	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	124	-176.3	174.8	62.6	0	0	0	109.5	L62 L68 A73 A76 L77 V213 L221	L62-L204 HydrophobicContact CD2-CD2 3.74Å; L68-L204 HydrophobicContact CD1-CD1 4.14Å; L68-L204 HydrophobicContact CD1-CD2 4.27Å; L68-L204 HydrophobicContact CD1-CG 4.48Å; A73-L204 HydrophobicContact CB-CD2 3.91Å; A76-L204 HydrophobicContact CB-CD1 3.66Å; A76-L204 WeakPolarHBondContact O-CD1 3.35Å; L77-L204 HydrophobicContact CD2-CB 4.41Å; L204-V213 HydrophobicContact CB-CB 4.48Å; L204-V213 PolarHBondContact N-O 3.29Å; L204-V213 PolarHBondContact O-N 3.32Å; L204-L221 HydrophobicContact CD2-CD2 4.17Å
205	I	86.5	Confident	76.7	Confident	49 Å²	49	37.6 Å²	37.6	25%	0.251	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.2	178.6	-49.6	-178.3	0	0	0	109.1	L78 P207 V212	L78-I205 HydrophobicContact CD1-CD1 4.24Å; I205-P207 WeakPolarHBondContact O-CD 3.32Å; I205-V212 HydrophobicContact CG1-CG2 4.3Å
206	C	84.4	Confident	77.5	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.007	21%	0.208	C	C	.	.			trans	-73.8	116.2	178.5	-179.4	0	0	0	0	111.7	L62 C64 I208 C209 N210 H211	L62-C206 HydrophobicContact CD1-CB 3.85Å; C64-C206 VanDerWaalsContact SG-SG 3.61Å; C206-I208 PolarHBondContact O-N 2.98Å; C206-C209 PolarHBondContact O-N 2.68Å; C206-N210 VanDerWaalsContact O-CA 3.27Å; C206-N210 WeakPolarHBondContact O-CA 3.38Å; C206-N210 PolarHBondContact O-N 3Å; C206-H211 HydrophobicContact CB-CB 4.47Å; C206-H211 WeakPolarHBondContact CB-O 3.38Å; C206-H211 PolarHBondContact N-O 3.3Å
207	P	84.8	Confident	77.9	Confident	64 Å²	64	37.1 Å²	37.1	42%	0.416	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	11.4	-173.8	33.8	-39.1	0	0	0	115	P50 L68 I205	P50-P207 HydrophobicContact CB-CG 4.21Å; P50-P207 HydrophobicContact CG-CG 3.75Å; L68-P207 HydrophobicContact CD2-CG 3.9Å; I205-P207 WeakPolarHBondContact O-CD 3.32Å
208	I	83.3	Confident	77.6	Confident	90 Å²	90	44.1 Å²	44.1	46%	0.462	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-31.6	174.8	-61	172.9	0	0	0	111.5	P50 H66 C206	P50-I208 HydrophobicContact CB-CD1 4.23Å; P50-I208 HydrophobicContact CB-CG1 4.01Å; P50-I208 HydrophobicContact CG-CD1 3.86Å; P50-I208 HydrophobicContact CG-CG1 3.94Å; H66-I208 HydrophobicContact CB-CD1 4.22Å; H66-I208 WeakPolarHBondContact NE2-CG2 3.37Å; C206-I208 PolarHBondContact O-N 2.98Å
209	C	83.3	Confident	77.6	Confident	55 Å²	55	46.8 Å²	46.8	37%	0.372	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.5	7.7	-173.2	62.5	0	0	0	0	114.3	H66 C206 H211	H66-C209 PolarHBondContact ND1-SG 3.41Å; C206-C209 PolarHBondContact O-N 2.68Å; C209-H211 PolarHBondContact O-N 2.71Å
210	N	85.1	Confident	77.5	Confident	110 Å²	110	41.9 Å²	41.9	59%	0.588	23%	0.227	S	C	*	.			trans	54.1	16.6	179.8	-58.5	-3.9	0	0	0	115.4	C206	C206-N210 VanDerWaalsContact O-CA 3.27Å; C206-N210 WeakPolarHBondContact O-CA 3.38Å; C206-N210 PolarHBondContact O-N 3Å
211	H	78.5	Confident	77.6	Confident	28 Å²	28	41.9 Å²	41.9	13%	0.13	23%	0.226	C	C	.	.			trans	-73.3	133.6	178.9	-159.3	79.3	0	0	0	110.8	C64 P174 C206 C209	C64-H211 HydrophobicContact CB-CB 4.02Å; P174-H211 PolarHBondContact O-CE1 3.4Å; P174-H211 PolarHBondContact O-ND1 2.98Å; P174-H211 PolarHBondContact O-NE2 3.09Å; C206-H211 HydrophobicContact CB-CB 4.47Å; C206-H211 WeakPolarHBondContact CB-O 3.38Å; C206-H211 PolarHBondContact N-O 3.3Å; C209-H211 PolarHBondContact O-N 2.71Å
212	V	80.9	Confident	77.3	Confident	5 Å²	5	43.8 Å²	43.8	3%	0.03	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	131.5	-174.7	-177.1	0	0	0	0	110.9	I85 S88 V175 V176 I205	I85-V212 HydrophobicContact CG1-CG1 3.87Å; S88-V212 WeakPolarHBondContact OG-CG2 3.47Å; V175-V212 HydrophobicContact CG1-CB 4.48Å; V175-V212 HydrophobicContact CG1-CG1 4.42Å; V176-V212 PolarHBondContact N-O 3.3Å; I205-V212 HydrophobicContact CG1-CG2 4.3Å
213	V	80.4	Confident	76.7	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	109	177.5	-173.6	0	0	0	0	108.3	P63 V176 C178 G203 L204 L215	P63-V213 HydrophobicContact CG-CG1 4.18Å; P63-V213 HydrophobicContact CG-CG2 4.39Å; V176-V213 WeakPolarHBondContact O-CA 3.41Å; C178-V213 HydrophobicContact CB-CG1 4.23Å; G203-V213 CarbonylContact C-O 3.47Å; G203-V213 VanDerWaalsContact CA-O 3.23Å; G203-V213 WeakPolarHBondContact CA-O 3.37Å; L204-V213 HydrophobicContact CB-CB 4.48Å; L204-V213 PolarHBondContact N-O 3.29Å; L204-V213 PolarHBondContact O-N 3.32Å; V213-L215 HydrophobicContact CG1-CD2 4.35Å
214	G	77.6	Confident	76.4	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	142.9	176.4	0	0	0	0	0	111.7	V176 C178	V176-G214 PolarHBondContact O-N 3.03Å; V176-G214 VanDerWaalsContact O-N 3.12Å; C178-G214 WeakPolarHBondContact CA-O 3.35Å; C178-G214 WeakPolarHBondContact CB-O 3.16Å; C178-G214 PolarHBondContact N-O 3.18Å
215	L	77.2	Confident	75.9	Confident	1 Å²	1	51 Å²	51	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	143.9	-178.7	-57	179.3	0	0	0	110.7	L77 C178 V200 S201 S202 V213 L221	L77-L215 HydrophobicContact CD2-CD1 3.53Å; C178-L215 HydrophobicContact CB-CD2 4.04Å; V200-L215 CarbonylContact C-O 3.49Å; V200-L215 WeakPolarHBondContact CA-O 3.13Å; V200-L215 WeakPolarHBondContact CG1-O 3.17Å; S201-L215 PolarHBondContact N-O 3.39Å; S201-L215 PolarHBondContact OG-O 2.94Å; S202-L215 PolarHBondContact N-O 3.42Å; S202-L215 PolarHBondContact O-N 3.36Å; V213-L215 HydrophobicContact CG1-CD2 4.35Å; L215-L221 HydrophobicContact CD1-CD2 3.78Å; L215-L221 HydrophobicContact CD1-CG 3.96Å
216	F	69.8	Low	75.7	Confident	40 Å²	40	54.4 Å²	54.4	18%	0.175	29%	0.288	C	S	.	.	S	Bend	trans	-91.9	-25.6	-168.9	-77.7	-121.6	0	0	0	114.2	I177 C178 S179 S196 L199 V200 S201	I177-F216 HydrophobicContact CG2-CE2 3.38Å; I177-F216 HydrophobicContact CG2-CZ 3.54Å; C178-F216 VanDerWaalsContact O-CD2 3.27Å; C178-F216 WeakPolarHBondContact O-CD2 3.38Å; S179-F216 VanDerWaalsContact OG-CZ 3.23Å; S179-F216 WeakPolarHBondContact OG-CZ 3.34Å; S196-F216 WeakPolarHBondContact O-CE1 3.41Å; S196-F216 WeakPolarHBondContact O-CZ 3.45Å; L199-F216 HydrophobicContact CB-CD1 3.69Å; L199-F216 HydrophobicContact CB-CE1 3.9Å; L199-F216 WeakPolarHBondContact O-CA 3.33Å; V200-F216 HydrophobicContact CG2-CD2 4.28Å; V200-F216 HydrophobicContact CG2-CE2 3.95Å; V200-F216 HydrophobicContact CG2-CZ 4.39Å; S201-F216 PolarHBondContact OG-O 2.88Å
217	D	66.8	Low	75.8	Confident	66 Å²	66	56 Å²	56	35%	0.353	30%	0.296	S	S	.	.	S	Bend	trans	-144.7	171.7	177.1	73	-4.8	0	0	0	110.7	S201 K219 G220	S201-D217 PolarHBondContact OG-N 3.44Å; D217-K219 PolarHBondContact O-N 3.4Å; D217-K219 WeakPolarHBondContact OD1-CA 3.47Å; D217-K219 WeakPolarHBondContact OD1-CB 3.35Å; D217-K219 PolarHBondContact OD1-N 3.02Å; D217-G220 PolarHBondContact O-N 3.18Å; D217-G220 PolarHBondContact OD1-N 3.09Å
218	D	57.2	Low	75.6	Confident	151 Å²	151	58.1 Å²	58.1	81%	0.807	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-7.6	177.9	-50.6	-39.5	0	0	0	112.8
219	K	63.9	Low	75.6	Confident	141 Å²	141	56.8 Å²	56.8	61%	0.613	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-0.8	175.8	-57.6	175.9	-177.4	171.5	0	112.4	D217 L221 S222 H223	D217-K219 PolarHBondContact O-N 3.4Å; D217-K219 WeakPolarHBondContact OD1-CA 3.47Å; D217-K219 WeakPolarHBondContact OD1-CB 3.35Å; D217-K219 PolarHBondContact OD1-N 3.02Å; K219-L221 PolarHBondContact O-N 3.49Å; K219-S222 WeakPolarHBondContact O-CA 3.33Å; K219-S222 WeakPolarHBondContact O-CB 3.27Å; K219-S222 PolarHBondContact O-N 3.46Å; K219-S222 PolarHBondContact O-OG 3.3Å; K219-H223 PolarHBondContact O-CD2 3.31Å
220	G	67.3	Low	75.7	Confident	5 Å²	5	55.1 Å²	55.1	5%	0.052	29%	0.285	C	S	.	.	H	α-helix	trans	-52.4	-35.1	-176	0	0	0	0	0	114.2	D217 S222 H223 L224	D217-G220 PolarHBondContact O-N 3.18Å; D217-G220 PolarHBondContact OD1-N 3.09Å; G220-S222 VanDerWaalsContact C-N 3.27Å; G220-S222 PolarHBondContact O-N 3.4Å; G220-H223 WeakPolarHBondContact O-CB 3.24Å; G220-H223 PolarHBondContact O-N 3.38Å; G220-H223 VanDerWaalsContact O-N 3.09Å; G220-L224 PolarHBondContact O-N 2.99Å
221	L	74.2	Confident	75.4	Confident	14 Å²	14	51.3 Å²	51.3	7%	0.073	26%	0.264	C	S	.	.	H	α-helix	trans	-63	-28.7	173.9	-68.8	-176.6	0	0	0	114	L60 A73 A74 L77 L204 L215 K219 H223 L224	L60-L221 HydrophobicContact CD1-CB 4.11Å; L60-L221 HydrophobicContact CD1-CD2 4.07Å; A73-L221 HydrophobicContact CB-CD1 4.24Å; A73-L221 HydrophobicContact CB-CD2 3.95Å; A74-L221 VanDerWaalsContact CA-CD1 3.45Å; A74-L221 HydrophobicContact CB-CD1 3.87Å; L77-L221 HydrophobicContact CD1-CD1 3.72Å; L77-L221 HydrophobicContact CD1-CG 4.2Å; L77-L221 HydrophobicContact CD2-CD1 4.05Å; L77-L221 HydrophobicContact CD2-CD2 4.04Å; L77-L221 HydrophobicContact CD2-CG 4.04Å; L77-L221 HydrophobicContact CG-CD1 3.9Å; L77-L221 HydrophobicContact CG-CG 4.41Å; L204-L221 HydrophobicContact CD2-CD2 4.17Å; L215-L221 HydrophobicContact CD1-CD2 3.78Å; L215-L221 HydrophobicContact CD1-CG 3.96Å; K219-L221 PolarHBondContact O-N 3.49Å; L221-H223 VanDerWaalsContact C-N 3.28Å; L221-L224 HydrophobicContact CD2-CD1 3.77Å; L221-L224 PolarHBondContact O-N 3.29Å
222	S	71.4	Confident	75.5	Confident	88 Å²	88	55 Å²	55	62%	0.615	28%	0.277	S	S	*	.	H	α-helix	trans	-74.6	-19.2	175.6	75.4	0	0	0	0	113.1	K219 G220	K219-S222 WeakPolarHBondContact O-CA 3.33Å; K219-S222 WeakPolarHBondContact O-CB 3.27Å; K219-S222 PolarHBondContact O-N 3.46Å; K219-S222 PolarHBondContact O-OG 3.3Å; G220-S222 VanDerWaalsContact C-N 3.27Å; G220-S222 PolarHBondContact O-N 3.4Å
223	H	68.9	Low	75.5	Confident	88 Å²	88	58.1 Å²	58.1	41%	0.407	29%	0.293	S	S	.	.	H	α-helix	trans	-84.5	-16.2	172.9	-64.2	-77.2	0	0	0	112.8	K219 G220 L221	K219-H223 PolarHBondContact O-CD2 3.31Å; G220-H223 WeakPolarHBondContact O-CB 3.24Å; G220-H223 PolarHBondContact O-N 3.38Å; G220-H223 VanDerWaalsContact O-N 3.09Å; L221-H223 VanDerWaalsContact C-N 3.28Å
224	L	76.2	Confident	75.5	Confident	8 Å²	8	58.9 Å²	58.9	4%	0.042	30%	0.297	C	S	.	.	S	Bend	trans	-70.9	132.8	174.2	-69.5	176.4	0	0	0	111.4	L60 L62 G220 L221 R226	L60-L224 HydrophobicContact CB-CB 4.26Å; L60-L224 HydrophobicContact CD1-CB 4.36Å; L60-L224 HydrophobicContact CD1-CD1 4.23Å; L62-L224 HydrophobicContact CD2-CD1 4.12Å; G220-L224 PolarHBondContact O-N 2.99Å; L221-L224 HydrophobicContact CD2-CD1 3.77Å; L221-L224 PolarHBondContact O-N 3.29Å; L224-R226 PolarHBondContact O-N 2.97Å
225	P	76.6	Confident	75.4	Confident	65 Å²	65	61.6 Å²	61.6	42%	0.422	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-68.6	118.9	-175.2	23.3	-30.2	0	0	0	112	L61 N227	L61-P225 HydrophobicContact CB-CG 4.3Å; L61-P225 VanDerWaalsContact CB-O 3.29Å; L61-P225 WeakPolarHBondContact CB-O 3.41Å; L61-P225 PolarHBondContact N-O 2.91Å; P225-N227 PolarHBondContact O-N 3.44Å
226	R	82.3	Confident	75.2	Confident	122 Å²	122	69.2 Å²	69.2	46%	0.46	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-63.1	122.9	173.7	-178.7	174.8	170.3	168.5	1.8	110.9	C58 P59 L224 R228 E231	C58-R226 PolarHBondContact SG-NH2 2.99Å; C58-R226 VanDerWaalsContact SG-NH2 3.44Å; P59-R226 CarbonylContact O-C 3.57Å; P59-R226 VanDerWaalsContact O-CA 3.31Å; P59-R226 WeakPolarHBondContact O-CA 3.4Å; L224-R226 PolarHBondContact O-N 2.97Å; R226-R228 HydrophobicContact CG-CG 4.13Å; R226-R228 PolarHBondContact O-N 2.81Å; R226-E231 IonicContact CZ-OE1 3.86Å; R226-E231 VanDerWaalsContact CZ-OE1 3.26Å; R226-E231 IonicContact CZ-OE2 2.9Å; R226-E231 VanDerWaalsContact NE-CD 3.29Å; R226-E231 IonicContact NE-OE1 2.78Å; R226-E231 PolarHBondContact NE-OE1 3.35Å; R226-E231 IonicContact NE-OE2 3.14Å; R226-E231 PolarHBondContact NE-OE2 2.91Å; R226-E231 IonicContact NH2-OE1 2.61Å; R226-E231 PolarHBondContact NH2-OE1 3.5Å; R226-E231 IonicContact NH2-OE2 3.71Å; R226-E231 PolarHBondContact NH2-OE2 3.45Å
227	N	86.3	Confident	75.2	Confident	33 Å²	33	70 Å²	70	18%	0.176	35%	0.352	C	S	.	.			trans	-74.9	67.1	-178.6	-168.2	-12.3	0	0	0	112	P59 L61 S67 P225 A229 L230 E231	P59-N227 HydrophobicContact CB-CB 4.1Å; P59-N227 HydrophobicContact CG-CB 4.05Å; P59-N227 PolarHBondContact O-N 2.82Å; L61-N227 HydrophobicContact CB-CB 4.3Å; S67-N227 PolarHBondContact OG-ND2 3.4Å; P225-N227 PolarHBondContact O-N 3.44Å; N227-A229 PolarHBondContact O-N 3.04Å; N227-A229 VanDerWaalsContact O-N 3.1Å; N227-L230 HydrophobicContact CB-CB 4.26Å; N227-L230 PolarHBondContact O-N 3.12Å; N227-L230 VanDerWaalsContact O-N 3.09Å; N227-L230 WeakPolarHBondContact OD1-CB 3.41Å; N227-L230 PolarHBondContact OD1-N 2.86Å; N227-L230 VanDerWaalsContact OD1-N 3.13Å; N227-E231 PolarHBondContact O-N 2.97Å
228	R	80.8	Confident	75.3	Confident	109 Å²	109	67.6 Å²	67.6	41%	0.411	34%	0.34	S	S	.	.	H	α-helix	trans	-62.1	-17.5	179.9	-56.7	-170.4	-164	-166.8	3.7	113.2	R226 E231 R232	R226-R228 HydrophobicContact CG-CG 4.13Å; R226-R228 PolarHBondContact O-N 2.81Å; R228-E231 WeakPolarHBondContact CA-OE2 3.15Å; R228-R232 WeakPolarHBondContact O-CB 3.31Å; R228-R232 VanDerWaalsContact O-CG 3.24Å; R228-R232 WeakPolarHBondContact O-CG 3.44Å; R228-R232 PolarHBondContact O-N 2.96Å; R228-R232 VanDerWaalsContact O-N 3.11Å
229	A	83.5	Confident	75.3	Confident	62 Å²	62	62.3 Å²	62.3	51%	0.512	32%	0.32	S	S	.	.	H	α-helix	trans	-68.4	-48.4	172.5	0	0	0	0	0	111.1	N227 E231 R232 I233	N227-A229 PolarHBondContact O-N 3.04Å; N227-A229 VanDerWaalsContact O-N 3.1Å; A229-E231 VanDerWaalsContact C-N 3.33Å; A229-E231 PolarHBondContact O-N 2.97Å; A229-R232 PolarHBondContact O-N 2.8Å; A229-I233 WeakPolarHBondContact O-CG1 3.39Å; A229-I233 PolarHBondContact O-N 3.33Å
230	L	84.4	Confident	74.8	Confident	20 Å²	20	60.4 Å²	60.4	11%	0.105	32%	0.322	C	S	.	.	H	α-helix	trans	-62.1	-39.2	175.4	-175.1	52.8	0	0	0	111.9	L47 F56 P59 N227 R232 I233 I234	L47-L230 HydrophobicContact CD2-CD1 4.06Å; F56-L230 HydrophobicContact CB-CD2 4.4Å; F56-L230 HydrophobicContact CD2-CD1 4.43Å; F56-L230 HydrophobicContact CD2-CD2 3.47Å; F56-L230 VanDerWaalsContact CD2-CD2 3.47Å; F56-L230 HydrophobicContact CD2-CG 4.06Å; F56-L230 HydrophobicContact CE2-CD2 3.71Å; F56-L230 HydrophobicContact CG-CD2 3.91Å; F56-L230 HydrophobicContact CZ-CD2 4.33Å; P59-L230 HydrophobicContact CB-CD2 4.29Å; P59-L230 HydrophobicContact CG-CB 4.39Å; P59-L230 HydrophobicContact CG-CD2 4.37Å; P59-L230 HydrophobicContact CG-CG 4.5Å; N227-L230 HydrophobicContact CB-CB 4.26Å; N227-L230 PolarHBondContact O-N 3.12Å; N227-L230 VanDerWaalsContact O-N 3.09Å; N227-L230 WeakPolarHBondContact OD1-CB 3.41Å; N227-L230 PolarHBondContact OD1-N 2.86Å; N227-L230 VanDerWaalsContact OD1-N 3.13Å; L230-R232 PolarHBondContact O-N 2.66Å; L230-I233 PolarHBondContact O-N 2.94Å; L230-I234 HydrophobicContact CD1-CD1 4.17Å; L230-I234 HydrophobicContact CD1-CG1 4.4Å; L230-I234 HydrophobicContact CG-CD1 4.09Å; L230-I234 WeakPolarHBondContact O-CG1 3.45Å; L230-I234 PolarHBondContact O-N 3.46Å
231	E	79.5	Confident	73.8	Confident	31 Å²	31	67.8 Å²	67.8	15%	0.145	36%	0.361	C	S	.	.	H	α-helix	trans	-61.6	-40.2	173.6	-62.3	-174.5	117.6	0	0	113.2	C58 P59 R226 N227 R228 A229 S235	C58-E231 WeakPolarHBondContact CA-OE1 3.39Å; P59-E231 VanDerWaalsContact CD-CG 3.43Å; P59-E231 HydrophobicContact CG-CG 3.65Å; R226-E231 IonicContact CZ-OE1 3.86Å; R226-E231 VanDerWaalsContact CZ-OE1 3.26Å; R226-E231 IonicContact CZ-OE2 2.9Å; R226-E231 VanDerWaalsContact NE-CD 3.29Å; R226-E231 IonicContact NE-OE1 2.78Å; R226-E231 PolarHBondContact NE-OE1 3.35Å; R226-E231 IonicContact NE-OE2 3.14Å; R226-E231 PolarHBondContact NE-OE2 2.91Å; R226-E231 IonicContact NH2-OE1 2.61Å; R226-E231 PolarHBondContact NH2-OE1 3.5Å; R226-E231 IonicContact NH2-OE2 3.71Å; R226-E231 PolarHBondContact NH2-OE2 3.45Å; N227-E231 PolarHBondContact O-N 2.97Å; R228-E231 WeakPolarHBondContact CA-OE2 3.15Å; A229-E231 VanDerWaalsContact C-N 3.33Å; A229-E231 PolarHBondContact O-N 2.97Å; E231-S235 WeakPolarHBondContact O-CB 3.42Å; E231-S235 PolarHBondContact O-N 2.96Å; E231-S235 PolarHBondContact O-OG 3.49Å
232	R	79.5	Confident	72.6	Confident	104 Å²	104	73.5 Å²	73.5	39%	0.392	39%	0.387	S	S	.	.	H	α-helix	trans	-68.4	-34.9	175.3	-74.5	170.6	-179.6	-168.7	-1.5	112	R228 A229 L230 K236 R349 Q351	R228-R232 WeakPolarHBondContact O-CB 3.31Å; R228-R232 VanDerWaalsContact O-CG 3.24Å; R228-R232 WeakPolarHBondContact O-CG 3.44Å; R228-R232 PolarHBondContact O-N 2.96Å; R228-R232 VanDerWaalsContact O-N 3.11Å; A229-R232 PolarHBondContact O-N 2.8Å; L230-R232 PolarHBondContact O-N 2.66Å; R232-K236 WeakPolarHBondContact O-CB 3.43Å; R232-K236 PolarHBondContact O-N 2.65Å; R232-R349 PolarHBondContact NE-O 2.9Å; R232-R349 PolarHBondContact NH2-O 3Å; R232-Q351 PolarHBondContact NH2-O 2.83Å
233	I	81.4	Confident	71	Confident	71 Å²	71	71.9 Å²	71.9	36%	0.364	38%	0.376	S	S	.	.	H	α-helix	trans	-67	-51.7	174.4	-67.9	166.2	0	0	0	109.8	L47 A229 L230 S235 K236 F237	L47-I233 HydrophobicContact CD2-CG2 3.65Å; A229-I233 WeakPolarHBondContact O-CG1 3.39Å; A229-I233 PolarHBondContact O-N 3.33Å; L230-I233 PolarHBondContact O-N 2.94Å; I233-S235 VanDerWaalsContact C-N 3.34Å; I233-S235 PolarHBondContact O-N 2.94Å; I233-K236 WeakPolarHBondContact O-CB 3.26Å; I233-K236 PolarHBondContact O-N 3.08Å; I233-F237 HydrophobicContact CG2-CD2 3.77Å; I233-F237 HydrophobicContact CG2-CE2 4.18Å; I233-F237 WeakPolarHBondContact O-CD2 3.24Å; I233-F237 PolarHBondContact O-N 3.42Å
234	I	81.5	Confident	69.6	Low	17 Å²	17	72 Å²	72	9%	0.087	38%	0.384	C	S	.	.	H	α-helix	trans	-58.2	-46.9	176.7	-67.9	167.2	0	0	0	110.3	L47 F55 F56 L230 K236 F237 V238	L47-I234 HydrophobicContact CB-CG1 4.37Å; L47-I234 HydrophobicContact CD2-CG1 3.92Å; F55-I234 HydrophobicContact CB-CG2 4.16Å; F56-I234 HydrophobicContact CB-CD1 3.64Å; F56-I234 HydrophobicContact CD2-CD1 4.2Å; F56-I234 HydrophobicContact CG-CD1 4.44Å; L230-I234 HydrophobicContact CD1-CD1 4.17Å; L230-I234 HydrophobicContact CD1-CG1 4.4Å; L230-I234 HydrophobicContact CG-CD1 4.09Å; L230-I234 WeakPolarHBondContact O-CG1 3.45Å; L230-I234 PolarHBondContact O-N 3.46Å; I234-K236 PolarHBondContact O-N 2.99Å; I234-F237 PolarHBondContact O-N 3.48Å; I234-V238 HydrophobicContact CG2-CB 4.21Å; I234-V238 HydrophobicContact CG2-CG2 4Å; I234-V238 WeakPolarHBondContact O-CB 3.33Å; I234-V238 PolarHBondContact O-N 3.28Å
235	S	74.9	Confident	67.7	Low	57 Å²	57	79.9 Å²	79.9	40%	0.399	42%	0.42	S	S	.	.	H	α-helix	trans	-59.5	-16.6	175.6	-66.8	0	0	0	0	115.4	E231 I233	E231-S235 WeakPolarHBondContact O-CB 3.42Å; E231-S235 PolarHBondContact O-N 2.96Å; E231-S235 PolarHBondContact O-OG 3.49Å; I233-S235 VanDerWaalsContact C-N 3.34Å; I233-S235 PolarHBondContact O-N 2.94Å
236	K	73.8	Confident	65.4	Low	162 Å²	162	82.3 Å²	82.3	70%	0.704	44%	0.439	S	S	*	.	H	α-helix	trans	-98.8	-33.7	179.1	177.9	-178.6	176.2	-176.9	0	112.4	R232 I233 I234	R232-K236 WeakPolarHBondContact O-CB 3.43Å; R232-K236 PolarHBondContact O-N 2.65Å; I233-K236 WeakPolarHBondContact O-CB 3.26Å; I233-K236 PolarHBondContact O-N 3.08Å; I234-K236 PolarHBondContact O-N 2.99Å
237	F	69.1	Low	62.9	Low	55 Å²	55	82.3 Å²	82.3	24%	0.241	45%	0.448	C	S	.	.	H	α-helix	trans	-102	-22.3	-172.8	-78.8	-74.1	0	0	0	113.5	T36 V40 M43 I233 I234	T36-F237 HydrophobicContact CG2-CD1 3.82Å; T36-F237 HydrophobicContact CG2-CE1 4.22Å; V40-F237 HydrophobicContact CG2-CB 3.95Å; V40-F237 HydrophobicContact CG2-CD1 4.08Å; V40-F237 HydrophobicContact CG2-CG 4.47Å; V40-F237 WeakPolarHBondContact CG2-O 3.36Å; M43-F237 HydrophobicContact CE-CD1 4.1Å; M43-F237 HydrophobicContact CE-CD2 4.27Å; M43-F237 HydrophobicContact CE-CE1 4.01Å; M43-F237 HydrophobicContact CE-CE2 4.18Å; M43-F237 HydrophobicContact CE-CG 4.24Å; M43-F237 HydrophobicContact CE-CZ 4.05Å; I233-F237 HydrophobicContact CG2-CD2 3.77Å; I233-F237 HydrophobicContact CG2-CE2 4.18Å; I233-F237 WeakPolarHBondContact O-CD2 3.24Å; I233-F237 PolarHBondContact O-N 3.42Å; I234-F237 PolarHBondContact O-N 3.48Å
238	V	69.4	Low	60	Low	17 Å²	17	91.1 Å²	91.1	10%	0.103	49%	0.485	C	S	.	.	S	Bend	trans	-107.5	117.6	174.7	-174.9	0	0	0	0	108.2	F55 I234 Q242	F55-V238 HydrophobicContact CD1-CG2 4.04Å; F55-V238 HydrophobicContact CD2-CG1 3.9Å; F55-V238 HydrophobicContact CD2-CG2 3.96Å; F55-V238 HydrophobicContact CE1-CG2 3.83Å; F55-V238 HydrophobicContact CE2-CB 4.43Å; F55-V238 HydrophobicContact CE2-CG1 3.74Å; F55-V238 HydrophobicContact CE2-CG2 3.73Å; F55-V238 HydrophobicContact CG-CG2 4.11Å; F55-V238 HydrophobicContact CZ-CG1 4.44Å; F55-V238 HydrophobicContact CZ-CG2 3.66Å; I234-V238 HydrophobicContact CG2-CB 4.21Å; I234-V238 HydrophobicContact CG2-CG2 4Å; I234-V238 WeakPolarHBondContact O-CB 3.33Å; I234-V238 PolarHBondContact O-N 3.28Å; V238-Q242 HydrophobicContact CG1-CB 3.6Å
239	G	57.5	Low	57.5	Low	39 Å²	39	92 Å²	92	40%	0.402	50%	0.502	S	S	.	.			trans	-66.9	161.7	179.2	0	0	0	0	0	112.9	D241 Q242	G239-D241 PolarHBondContact O-N 3.5Å; G239-D241 VanDerWaalsContact O-N 3.15Å; G239-Q242 PolarHBondContact O-N 3.06Å
240	P	52.7	Low	54.8	Low	101 Å²	101	94.4 Å²	94.4	66%	0.656	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-56	-34.8	-176.8	23	-33.6	0	0	0	112.9	Q242 S243	P240-Q242 PolarHBondContact O-N 2.88Å; P240-Q242 VanDerWaalsContact O-N 3.15Å; P240-S243 WeakPolarHBondContact O-CB 3.49Å; P240-S243 PolarHBondContact O-N 3.34Å; P240-S243 PolarHBondContact O-OG 2.95Å
241	D	46.5	Very low	52	Low	160 Å²	160	98 Å²	98	86%	0.856	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-70	-6.8	-179.1	-49.2	-61.7	0	0	0	114.6	G239	G239-D241 PolarHBondContact O-N 3.5Å; G239-D241 VanDerWaalsContact O-N 3.15Å
242	Q	47.9	Very low	49.4	Very low	134 Å²	134	103.8 Å²	103.8	63%	0.626	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-111.9	7.3	170.4	-67.1	-173.4	16.3	0	0	112.8	V238 G239 P240	V238-Q242 HydrophobicContact CG1-CB 3.6Å; G239-Q242 PolarHBondContact O-N 3.06Å; P240-Q242 PolarHBondContact O-N 2.88Å; P240-Q242 VanDerWaalsContact O-N 3.15Å
243	S	38.2	Very low	46.9	Very low	54 Å²	54	107 Å²	107	38%	0.378	60%	0.603	S	S	.	*	S	Bend	trans	-81.2	141	170.3	74.2	0	0	0	0	111.1	P240 H245	P240-S243 WeakPolarHBondContact O-CB 3.49Å; P240-S243 PolarHBondContact O-N 3.34Å; P240-S243 PolarHBondContact O-OG 2.95Å; S243-H245 PolarHBondContact O-N 3.45Å
244	P	40.6	Very low	44.3	Very low	90 Å²	90	111.8 Å²	111.8	58%	0.584	62%	0.624	S	S	*	*	S	Bend	trans	-82.3	53.2	-171.9	34.7	-37.5	0	0	0	113.5	S246	P244-S246 VanDerWaalsContact C-N 3.25Å; P244-S246 PolarHBondContact O-N 3.36Å
245	H	35	Very low	41.7	Very low	174 Å²	174	115.6 Å²	115.6	81%	0.806	65%	0.65	S	S	*	*			trans	-79.4	-3.2	172.4	-95.7	-68.6	0	0	0	114.2	S243	S243-H245 PolarHBondContact O-N 3.45Å
246	S	28.3	Very low	39.3	Very low	117 Å²	117	122.7 Å²	122.7	82%	0.818	67%	0.674	S	S	*	*			trans	-102.3	40.9	-177.2	-61.2	0	0	0	0	114.2	P244	P244-S246 VanDerWaalsContact C-N 3.25Å; P244-S246 PolarHBondContact O-N 3.36Å
247	L	29.6	Very low	37.1	Very low	122 Å²	122	121.7 Å²	121.7	64%	0.639	68%	0.676	S	S	*	*			trans	-133.4	111.8	162.2	-77.9	177.2	0	0	0	110	V249	L247-V249 PolarHBondContact O-N 2.91Å; L247-V249 VanDerWaalsContact O-N 3.1Å
248	K	26	Very low	35.1	Very low	218 Å²	218	126.2 Å²	126.2	95%	0.948	70%	0.701	S	S	*	*			trans	-71.5	97.8	165.8	-72.7	-177.4	176.3	-178.1	0	108.7
249	V	27.7	Very low	32.9	Very low	128 Å²	128	132.3 Å²	132.3	78%	0.776	73%	0.733	S	S	*	*			trans	-93	137.9	159	-178.5	0	0	0	0	107.2	L247	L247-V249 PolarHBondContact O-N 2.91Å; L247-V249 VanDerWaalsContact O-N 3.1Å
250	S	26.5	Very low	31.4	Very low	112 Å²	112	136.6 Å²	136.6	78%	0.783	75%	0.747	S	S	*	*			trans	-58	141.2	-175.6	-52.4	0	0	0	0	112.1	D252	S250-D252 PolarHBondContact O-N 2.87Å
251	A	25.8	Very low	30.1	Very low	94 Å²	94	139 Å²	139	78%	0.777	76%	0.755	S	S	*	*			trans	-77.1	110.5	169.1	0	0	0	0	0	109.2
252	D	25.4	Very low	29.5	Very low	153 Å²	153	137 Å²	137	82%	0.818	75%	0.748	S	S	*	*			trans	-171.5	76.1	160.6	-94.5	-32.5	0	0	0	108.5	S250	S250-D252 PolarHBondContact O-N 2.87Å
253	L	27.7	Very low	29.5	Very low	172 Å²	172	134.5 Å²	134.5	90%	0.901	74%	0.739	S	S	*	*			trans	170.6	79.6	160	-97	157.4	0	0	0	110.8
254	E	25.9	Very low	30	Very low	172 Å²	172	134.8 Å²	134.8	80%	0.804	74%	0.739	S	S	*	*			trans	-102.3	131.9	161.6	-89.1	-144.1	132.4	0	0	110.9
255	P	26.9	Very low	30.8	Very low	97 Å²	97	131.3 Å²	131.3	63%	0.63	72%	0.716	S	S	*	*			trans	-113.2	109.5	159.3	19	0.5	0	0	0	111.5
256	F	25.1	Very low	31.6	Very low	206 Å²	206	127.9 Å²	127.9	90%	0.904	70%	0.704	S	S	*	*			trans	53.9	58.1	152.8	-59.2	-82.8	0	0	0	118.5
257	L	28	Very low	33	Very low	141 Å²	141	129.1 Å²	129.1	74%	0.738	69%	0.69	S	S	*	*			trans	-97.1	144.1	150.9	-93.3	-72.7	0	0	0	109.5
258	L	25.6	Very low	34.1	Very low	149 Å²	149	129.4 Å²	129.4	78%	0.78	70%	0.699	S	S	*	*			trans	-68.6	142.1	-175.2	-87.3	78.5	0	0	0	112.3	N260	L258-N260 PolarHBondContact O-N 3.15Å
259	N	23	Very low	35.8	Very low	146 Å²	146	122.1 Å²	122.1	78%	0.781	69%	0.687	S	S	*	*			trans	-41.1	94.2	171.9	175.2	66.2	0	0	0	113.9
260	N	26.8	Very low	37.7	Very low	129 Å²	129	117.2 Å²	117.2	69%	0.69	66%	0.661	S	S	*	*			trans	-123.2	56.8	175.8	-98.4	2.5	0	0	0	110.7	L258 T262	L258-N260 PolarHBondContact O-N 3.15Å; N260-T262 PolarHBondContact O-N 3.14Å
261	N	25.8	Very low	40.1	Very low	152 Å²	152	112.2 Å²	112.2	81%	0.813	63%	0.626	S	S	*	*			trans	-79.5	26.7	177.8	-136.4	-15.3	0	0	0	112.8
262	T	34.1	Very low	42.7	Very low	118 Å²	118	109.2 Å²	109.2	72%	0.724	60%	0.597	S	S	*	*			trans	-146.2	42	-163.8	57.3	0	0	0	0	112.2	N260 P264	N260-T262 PolarHBondContact O-N 3.14Å; T262-P264 VanDerWaalsContact O-CD 3.31Å; T262-P264 WeakPolarHBondContact O-CD 3.49Å
263	D	46.6	Very low	45.4	Very low	81 Å²	81	102 Å²	102	43%	0.433	56%	0.559	S	S	.	*			trans	-100.7	97.4	179.7	-159.7	-17.3	0	0	0	110.7	I265	D263-I265 PolarHBondContact O-N 3.34Å
264	P	49.7	Very low	47.7	Very low	59 Å²	59	98.4 Å²	98.4	38%	0.383	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	0.7	-165.2	29.9	-36.8	0	0	0	114.6	T262	T262-P264 VanDerWaalsContact O-CD 3.31Å; T262-P264 WeakPolarHBondContact O-CD 3.49Å
265	I	56.3	Low	50	Low	18 Å²	18	93.8 Å²	93.8	9%	0.092	52%	0.518	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-26.5	-168.5	-61	173.6	0	0	0	112.2	D263 V341 I344	D263-I265 PolarHBondContact O-N 3.34Å; I265-V341 HydrophobicContact CG2-CB 4.46Å; I265-V341 HydrophobicContact CG2-CG1 3.86Å; I265-V341 HydrophobicContact CG2-CG2 4.22Å; I265-I344 HydrophobicContact CD1-CB 4.41Å; I265-I344 HydrophobicContact CD1-CG2 3.56Å
266	N	52.5	Low	52.2	Low	102 Å²	102	90.7 Å²	90.7	55%	0.545	50%	0.498	S	S	.	.	S	Bend	trans	-109.2	18.7	-171	-66.3	-46.9	0	0	0	114.3	R345	N266-R345 PolarHBondContact OD1-NH2 2.76Å
267	R	58.3	Low	53.7	Low	142 Å²	142	89.6 Å²	89.6	54%	0.536	50%	0.496	S	S	.	.			trans	-72.4	132.9	-179.4	-161	178.9	-159.9	-127.7	7.7	111.8	G269 G270	R267-G269 PolarHBondContact O-N 2.93Å; R267-G270 PolarHBondContact O-N 3.32Å
268	P	51.4	Low	54.6	Low	128 Å²	128	90.3 Å²	90.3	83%	0.831	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	122	170.2	-23.6	34.2	0	0	0	110.8
269	G	62.7	Low	55.6	Low	66 Å²	66	88.2 Å²	88.2	68%	0.68	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.2	-11.4	-172.8	0	0	0	0	0	115.1	R267 L302	R267-G269 PolarHBondContact O-N 2.93Å; G269-L302 WeakPolarHBondContact O-CD2 3.47Å
270	G	68.3	Low	56.3	Low	24 Å²	24	88.7 Å²	88.7	25%	0.247	49%	0.493	C	S	.	.			trans	103.1	176.8	178	0	0	0	0	0	114.3	R267	R267-G270 PolarHBondContact O-N 3.32Å
271	P	75.8	Confident	56.9	Low	7 Å²	7	89.8 Å²	89.8	5%	0.045	50%	0.497	C	S	.	.			trans	-69.4	151.4	-177	30.8	-36.8	0	0	0	111.8	A303 F313 A337 V341	P271-A303 HydrophobicContact CG-CB 4.37Å; P271-A303 PolarHBondContact O-N 2.87Å; P271-F313 HydrophobicContact CB-CD1 3.91Å; P271-F313 HydrophobicContact CB-CD2 4.31Å; P271-F313 HydrophobicContact CB-CE1 3.97Å; P271-F313 HydrophobicContact CB-CE2 4.35Å; P271-F313 HydrophobicContact CB-CG 4.09Å; P271-F313 HydrophobicContact CB-CZ 4.18Å; P271-F313 HydrophobicContact CG-CD1 3.73Å; P271-F313 HydrophobicContact CG-CE1 3.65Å; P271-F313 HydrophobicContact CG-CG 4.4Å; P271-F313 HydrophobicContact CG-CZ 4.24Å; P271-A337 HydrophobicContact CG-CB 3.98Å; P271-V341 HydrophobicContact CB-CG2 4.28Å; P271-V341 HydrophobicContact CG-CG2 3.8Å
272	L	81	Confident	57.4	Low	31 Å²	31	88.1 Å²	88.1	16%	0.162	50%	0.495	C	S	.	.	B	Isolated β-bridge	trans	-88.8	157.5	175.7	-69.5	171.1	0	0	0	111.9	Q274 L302 F313	L272-Q274 PolarHBondContact O-N 3.07Å; L272-L302 HydrophobicContact CD2-CD2 4.25Å; L272-F313 WeakPolarHBondContact O-CB 3.37Å
273	C	81.1	Confident	57.4	Low	2 Å²	2	89 Å²	89	1%	0.014	50%	0.501	C	S	.	.			trans	-70.5	113.6	169.9	179.5	0	0	0	0	110.2	L275 C276 C301 C315	C273-L275 PolarHBondContact O-N 2.83Å; C273-C276 HydrophobicContact CB-CB 4.33Å; C273-C276 PolarHBondContact O-N 3.39Å; C273-C276 VanDerWaalsContact O-N 3.14Å; C273-C276 VanDerWaalsContact SG-SG 3.64Å; C273-C301 HydrophobicContact CB-CB 4.49Å; C273-C301 WeakPolarHBondContact CB-O 3.4Å; C273-C301 PolarHBondContact N-O 3.26Å; C273-C315 HydrophobicContact CB-CB 3.85Å; C273-C315 PolarHBondContact SG-N 3Å; C273-C315 VanDerWaalsContact SG-SG 3.66Å
274	Q	76.7	Confident	56.8	Low	97 Å²	97	93.3 Å²	93.3	45%	0.453	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	3.9	-178.5	-66.2	167.3	-61.5	0	0	113.7	L272 I312 F313	L272-Q274 PolarHBondContact O-N 3.07Å; Q274-I312 HydrophobicContact CB-CG2 4.37Å; Q274-F313 HydrophobicContact CG-CB 4.41Å; Q274-F313 PolarHBondContact N-O 3.49Å
275	L	74.7	Confident	56.1	Low	74 Å²	74	97.6 Å²	97.6	39%	0.387	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119	18.4	174.9	-59	179.5	0	0	0	112.2	C273 I312 Y314 C318 C322	C273-L275 PolarHBondContact O-N 2.83Å; L275-I312 HydrophobicContact CG-CG2 4.41Å; L275-Y314 HydrophobicContact CD1-CD1 3.79Å; L275-Y314 HydrophobicContact CD1-CE1 3.5Å; L275-C318 HydrophobicContact CB-CB 4.07Å; L275-C318 PolarHBondContact O-SG 2.86Å; L275-C322 HydrophobicContact CD1-CB 3.75Å
276	C	71.6	Confident	55.2	Low	32 Å²	32	102.2 Å²	102.2	22%	0.216	57%	0.569	C	S	.	*	S	Bend	trans	-102.1	130.5	162.7	-70	0	0	0	0	107.8	C273	C273-C276 HydrophobicContact CB-CB 4.33Å; C273-C276 PolarHBondContact O-N 3.39Å; C273-C276 VanDerWaalsContact O-N 3.14Å; C273-C276 VanDerWaalsContact SG-SG 3.64Å
277	E	57.4	Low	54.3	Low	184 Å²	184	102.8 Å²	102.8	86%	0.86	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-64.8	144.1	178.3	-65	-178.8	156.1	0	0	110.9
278	E	46.8	Very low	53.3	Low	155 Å²	155	100.8 Å²	100.8	72%	0.724	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-72.2	146.2	174.1	-65	-157.3	133.2	0	0	110.9	N280	E278-N280 PolarHBondContact O-N 2.79Å
279	P	46.4	Very low	52.4	Low	106 Å²	106	99.9 Å²	99.9	69%	0.688	59%	0.585	S	S	*	*			trans	-67.2	107.2	176.8	28	-33.7	0	0	0	109.9	I281	P279-I281 PolarHBondContact O-N 3.42Å; P279-I281 VanDerWaalsContact O-N 3.14Å
280	N	38.9	Very low	51.1	Low	155 Å²	155	106 Å²	106	83%	0.829	60%	0.596	S	S	*	*			trans	-51.2	120.6	171.2	-85	-60.6	0	0	0	110.1	E278 P282	E278-N280 PolarHBondContact O-N 2.79Å; N280-P282 WeakPolarHBondContact O-CD 3.26Å
281	I	38.1	Very low	49.4	Very low	152 Å²	152	109.5 Å²	109.5	78%	0.779	62%	0.617	S	S	*	*			trans	-68.3	117.9	175.5	-58.1	173.9	0	0	0	107.2	P279 T283	P279-I281 PolarHBondContact O-N 3.42Å; P279-I281 VanDerWaalsContact O-N 3.14Å; I281-T283 PolarHBondContact O-N 3.3Å
282	P	37.3	Very low	47.3	Very low	118 Å²	118	115.1 Å²	115.1	77%	0.766	65%	0.647	S	S	*	*			trans	-75.5	111.5	-175.1	29.2	-33.3	0	0	0	110.7	N280	N280-P282 WeakPolarHBondContact O-CD 3.26Å
283	T	34.6	Very low	44.9	Very low	137 Å²	137	122 Å²	122	84%	0.84	68%	0.675	S	S	*	*			trans	-85	148	165.1	-47.4	0	0	0	0	109.6	I281	I281-T283 PolarHBondContact O-N 3.3Å
284	E	33.7	Very low	42.3	Very low	171 Å²	171	127.9 Å²	127.9	80%	0.799	71%	0.711	S	S	*	*	S	Bend	trans	-69.3	131.8	-160.3	-53.3	174.2	145.1	0	0	115
285	N	33.4	Very low	40.2	Very low	149 Å²	149	131.6 Å²	131.6	80%	0.797	73%	0.729	S	S	*	*				177.3	159	105	-96.5	-77.2	0	0	0	112.9
286	P	39.5	Very low	38.3	Very low	115 Å²	115	133.3 Å²	133.3	75%	0.747	74%	0.742	S	S	*	*			trans	-120.8	136.7	-168.5	38.1	-24.6	0	0	0	116.8
287	S	32.2	Very low	36.7	Very low	114 Å²	114	138.8 Å²	138.8	80%	0.797	78%	0.775	S	S	*	*			trans	-163.5	143.7	152.3	53.9	0	0	0	0	114.6
288	S	36.9	Very low	36.1	Very low	99 Å²	99	134.7 Å²	134.7	69%	0.692	76%	0.756	S	S	*	*			trans	51.5	98.7	161	53.1	0	0	0	0	121.3
289	S	33.5	Very low	36.3	Very low	110 Å²	110	135.3 Å²	135.3	77%	0.769	76%	0.759	S	S	*	*				36.1	140.5	109.9	66	0	0	0	0	120.3
290	E	35.6	Very low	36.9	Very low	193 Å²	193	132.4 Å²	132.4	90%	0.902	74%	0.737	S	S	*	*			cis	-140.8	-178.6	29.7	-79.3	-165.8	129.2	0	0	115.5
291	S	32	Very low	38.6	Very low	98 Å²	98	126.8 Å²	126.8	69%	0.685	71%	0.71	S	S	*	*			trans	-77.9	152.2	-164.1	65.2	0	0	0	0	118.6
292	N	32.1	Very low	40.6	Very low	125 Å²	125	124 Å²	124	67%	0.668	70%	0.696	S	S	*	*				-168.6	127.7	109.9	-105.5	-76.8	0	0	0	115
293	K	29.5	Very low	42.7	Very low	176 Å²	176	118.9 Å²	118.9	77%	0.765	66%	0.664	S	S	*	*			trans	50.2	111.4	141.2	-67	173	-171.9	171.5	0	122.1
294	T	27.1	Very low	45.1	Very low	126 Å²	126	115.5 Å²	115.5	77%	0.773	64%	0.643	S	S	*	*			trans	47.1	116.4	130.3	60.9	0	0	0	0	118.2
295	E	32.1	Very low	47.6	Very low	175 Å²	175	109.5 Å²	109.5	82%	0.818	61%	0.614	S	S	*	*				-161.7	158.7	64	-83.2	-178.6	154.6	0	0	113.9
296	T	36	Very low	50.3	Low	110 Å²	110	102.4 Å²	102.4	68%	0.675	58%	0.576	S	S	*	*			trans	36.5	97.5	165.1	57.6	0	0	0	0	119.1	E298	T296-E298 PolarHBondContact O-N 3.35Å
297	T	37.6	Very low	52.4	Low	146 Å²	146	96.9 Å²	96.9	90%	0.896	54%	0.541	S	S	*	.			trans	-62.3	115.3	149.7	-1	0	0	0	0	109.5
298	E	44.7	Very low	54.9	Low	98 Å²	98	94.7 Å²	94.7	46%	0.458	52%	0.518	S	S	.	.			trans	-103.3	118.3	170.9	-81.1	-174.5	176.2	0	0	110.7	T296 R317	T296-E298 PolarHBondContact O-N 3.35Å; E298-R317 VanDerWaalsContact CD-CZ 3.44Å; E298-R317 IonicContact OE1-CZ 2.86Å; E298-R317 IonicContact OE1-NE 3.56Å; E298-R317 IonicContact OE1-NH1 2.86Å; E298-R317 PolarHBondContact OE1-NH1 2.62Å; E298-R317 IonicContact OE1-NH2 2.91Å; E298-R317 PolarHBondContact OE1-NH2 2.83Å; E298-R317 WeakPolarHBondContact OE2-CD 3.48Å; E298-R317 IonicContact OE2-CZ 3.23Å; E298-R317 VanDerWaalsContact OE2-CZ 3.23Å; E298-R317 IonicContact OE2-NE 3.56Å; E298-R317 IonicContact OE2-NH1 3.76Å; E298-R317 PolarHBondContact OE2-NH1 3.19Å
299	Q	52.2	Low	57.1	Low	169 Å²	169	94.4 Å²	94.4	79%	0.79	51%	0.506	S	S	*	.			trans	-62.8	160.8	172.3	-85	110.7	-24	0	0	112.5	C301	Q299-C301 PolarHBondContact O-N 3.37Å; Q299-C301 PolarHBondContact O-SG 2.98Å; Q299-C301 VanDerWaalsContact O-SG 3.36Å
300	N	58.1	Low	59.4	Low	45 Å²	45	91.3 Å²	91.3	24%	0.241	48%	0.483	C	S	.	.	S	Bend	trans	-48.3	103	172.7	-168.8	-20	0	0	0	111.6
301	C	73.5	Confident	61.6	Low	37 Å²	37	87.3 Å²	87.3	25%	0.25	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-74.4	141.2	-168.2	-77.3	0	0	0	0	112.8	C273 Q299 C315	C273-C301 HydrophobicContact CB-CB 4.49Å; C273-C301 WeakPolarHBondContact CB-O 3.4Å; C273-C301 PolarHBondContact N-O 3.26Å; Q299-C301 PolarHBondContact O-N 3.37Å; Q299-C301 PolarHBondContact O-SG 2.98Å; Q299-C301 VanDerWaalsContact O-SG 3.36Å; C301-C315 HydrophobicContact CB-CB 3.69Å
302	L	81.2	Confident	63.9	Low	92 Å²	92	85.1 Å²	85.1	48%	0.482	45%	0.445	S	S	.	.	B	Isolated β-bridge	trans	-58.5	139.4	163.1	-67.7	173.6	0	0	0	110.3	G269 L272 C315	G269-L302 WeakPolarHBondContact O-CD2 3.47Å; L272-L302 HydrophobicContact CD2-CD2 4.25Å; L302-C315 WeakPolarHBondContact O-CB 3.43Å
303	A	82	Confident	66.3	Low	12 Å²	12	79.3 Å²	79.3	10%	0.099	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-74.6	141.2	172.5	0	0	0	0	0	110.7	P271 F313 Y314 A337	P271-A303 HydrophobicContact CG-CB 4.37Å; P271-A303 PolarHBondContact O-N 2.87Å; A303-F313 HydrophobicContact CB-CB 3.71Å; A303-F313 HydrophobicContact CB-CD1 4.12Å; A303-F313 HydrophobicContact CB-CG 4.35Å; A303-Y314 CarbonylContact C-O 3.6Å; A303-Y314 WeakPolarHBondContact CA-O 3.49Å; A303-A337 HydrophobicContact CB-CB 4.09Å; A303-A337 WeakPolarHBondContact O-CB 3.31Å
304	T	84.5	Confident	68.8	Low	66 Å²	66	71.4 Å²	71.4	41%	0.405	38%	0.379	S	S	.	.			trans	-107.9	-27.2	177.6	-30.9	0	0	0	0	110.7	Y314 T316 A337	T304-Y314 PolarHBondContact N-O 3.29Å; T304-T316 PolarHBondContact OG1-OG1 3.36Å; T304-A337 PolarHBondContact O-N 3.06Å
305	F	87	Confident	71.6	Confident	44 Å²	44	65.8 Å²	65.8	19%	0.193	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	154.2	-177	-54.3	-77.9	0	0	0	111.3	Y314 T316 R319 L334 H335	F305-Y314 PolarHBondContact N-O 3.15Å; F305-Y314 PolarHBondContact O-N 2.78Å; F305-T316 HydrophobicContact CE2-CG2 4.36Å; F305-R319 HydrophobicContact CD2-CB 4.23Å; F305-R319 VanDerWaalsContact CD2-CD 3.43Å; F305-R319 HydrophobicContact CD2-CG 4.4Å; F305-L334 HydrophobicContact CB-CD2 3.97Å; F305-L334 HydrophobicContact CB-CG 4.38Å; F305-L334 HydrophobicContact CD1-CD2 4.45Å; F305-L334 HydrophobicContact CG-CD2 4.23Å; F305-H335 WeakPolarHBondContact CA-O 3.24Å
306	W	89.8	Confident	74	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	135.6	167.9	177.5	74.7	0	0	0	109.6	E308 E311 I312 F313 L334 H335 I343 I344	W306-E308 HydrophobicContact CE3-CB 4.32Å; W306-E308 HydrophobicContact CH2-CB 3.97Å; W306-E308 HydrophobicContact CH2-CG 3.95Å; W306-E308 HydrophobicContact CZ3-CB 3.66Å; W306-E308 HydrophobicContact CZ3-CG 3.95Å; W306-E311 HydrophobicContact CZ2-CB 4.3Å; W306-E311 HydrophobicContact CZ2-CG 4.21Å; W306-E311 PolarHBondContact NE1-O 2.81Å; W306-I312 WeakPolarHBondContact CA-O 3.48Å; W306-I312 VanDerWaalsContact CD1-O 3.29Å; W306-F313 HydrophobicContact CB-CD1 3.82Å; W306-F313 HydrophobicContact CB-CE1 3.77Å; W306-F313 AromaticContact CD1-CD1 3.73Å; W306-F313 AromaticContact CD1-CD2 3.89Å; W306-F313 AromaticContact CD1-CE1 3.66Å; W306-F313 AromaticContact CD1-CE2 3.84Å; W306-F313 AromaticContact CD1-CG 3.84Å; W306-F313 AromaticContact CD1-CZ 3.73Å; W306-F313 HydrophobicContact CG-CD1 4.11Å; W306-F313 AromaticContact CG-CE1 3.89Å; W306-F313 HydrophobicContact CG-CE1 3.89Å; W306-F313 HydrophobicContact CG-CZ 4.24Å; W306-L334 WeakPolarHBondContact O-CA 3.45Å; W306-H335 HydrophobicContact CE3-CB 4.25Å; W306-H335 AromaticContact CE3-CD2 3.7Å; W306-H335 AromaticContact CZ3-CD2 3.75Å; W306-H335 PolarHBondContact N-O 2.82Å; W306-H335 PolarHBondContact O-N 3.35Å; W306-I343 HydrophobicContact CE3-CD1 4.47Å; W306-I343 HydrophobicContact CH2-CB 4.28Å; W306-I343 HydrophobicContact CH2-CG2 3.66Å; W306-I343 HydrophobicContact CZ3-CB 3.97Å; W306-I343 HydrophobicContact CZ3-CD1 3.94Å; W306-I343 HydrophobicContact CZ3-CG2 3.68Å; W306-I344 HydrophobicContact CH2-CG1 4.37Å; W306-I344 HydrophobicContact CZ2-CD1 3.98Å; W306-I344 HydrophobicContact CZ2-CG1 3.75Å
307	C	82.8	Confident	76.2	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	123.9	175.3	178.1	0	0	0	0	110.5	Q309 C310 E311 I312 Y314 H323 H332 A333 L334	C307-Q309 PolarHBondContact O-N 3.18Å; C307-C310 HydrophobicContact CB-CB 3.99Å; C307-C310 PolarHBondContact SG-N 3.31Å; C307-E311 WeakPolarHBondContact O-CA 3.4Å; C307-E311 PolarHBondContact O-N 2.77Å; C307-I312 PolarHBondContact N-O 3.09Å; C307-Y314 HydrophobicContact CB-CE2 3.7Å; C307-H323 PolarHBondContact SG-NE2 3.34Å; C307-H332 PolarHBondContact SG-ND1 3.29Å; C307-H332 VanDerWaalsContact SG-ND1 3.4Å; C307-A333 WeakPolarHBondContact CA-O 3.4Å; C307-L334 HydrophobicContact CB-CD1 3.68Å; C307-L334 HydrophobicContact CB-CG 4.49Å
308	E	84.4	Confident	78.3	Confident	68 Å²	68	55.3 Å²	55.3	32%	0.318	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-31.8	-176.1	-177.6	177.9	179.3	0	0	114	W306 E311 A333 H335	W306-E308 HydrophobicContact CE3-CB 4.32Å; W306-E308 HydrophobicContact CH2-CB 3.97Å; W306-E308 HydrophobicContact CH2-CG 3.95Å; W306-E308 HydrophobicContact CZ3-CB 3.66Å; W306-E308 HydrophobicContact CZ3-CG 3.95Å; E308-E311 WeakPolarHBondContact O-CG 3.4Å; E308-A333 HydrophobicContact CB-CB 4.26Å; E308-A333 PolarHBondContact N-O 3.14Å; E308-H335 IonicContact OE2-CD2 2.87Å; E308-H335 IonicContact OE2-CE1 2.69Å; E308-H335 IonicContact OE2-NE2 3.86Å; E308-H335 PolarHBondContact OE2-NE2 3.2Å
309	Q	84.4	Confident	80.2	Confident	92 Å²	92	54.5 Å²	54.5	43%	0.43	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-16.1	-176.6	-61.1	73.1	22.3	0	0	113	C307 A333	C307-Q309 PolarHBondContact O-N 3.18Å; Q309-A333 PolarHBondContact OE1-O 2.98Å
310	C	81	Confident	81.4	Confident	45 Å²	45	52.9 Å²	52.9	30%	0.304	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-15.5	169.5	-61.8	0	0	0	0	112.4	C307 I312 H332	C307-C310 HydrophobicContact CB-CB 3.99Å; C307-C310 PolarHBondContact SG-N 3.31Å; C310-I312 HydrophobicContact CB-CB 4.39Å; C310-I312 HydrophobicContact CB-CD1 4.34Å; C310-I312 WeakPolarHBondContact O-CG1 3.28Å; C310-I312 PolarHBondContact O-N 3.08Å; C310-H332 VanDerWaalsContact SG-CE1 3.52Å; C310-H332 PolarHBondContact SG-ND1 3.47Å; C310-H332 VanDerWaalsContact SG-ND1 3.35Å
311	E	82.4	Confident	82.5	Confident	109 Å²	109	58.8 Å²	58.8	51%	0.509	29%	0.287	S	S	.	.			trans	54.6	13.2	-170.8	-55.8	-161.1	134.9	0	0	115.8	W306 C307 E308 K347	W306-E311 HydrophobicContact CZ2-CB 4.3Å; W306-E311 HydrophobicContact CZ2-CG 4.21Å; W306-E311 PolarHBondContact NE1-O 2.81Å; C307-E311 WeakPolarHBondContact O-CA 3.4Å; C307-E311 PolarHBondContact O-N 2.77Å; E308-E311 WeakPolarHBondContact O-CG 3.4Å; E311-K347 IonicContact OE1-NZ 3.11Å; E311-K347 PolarHBondContact OE1-NZ 2.91Å
312	I	79.5	Confident	82.5	Confident	52 Å²	52	60.4 Å²	60.4	27%	0.267	30%	0.298	S	S	.	.			trans	-93.9	143.4	-176.9	-71	163.2	0	0	0	112.6	Q274 L275 W306 C307 C310 Y314	Q274-I312 HydrophobicContact CB-CG2 4.37Å; L275-I312 HydrophobicContact CG-CG2 4.41Å; W306-I312 WeakPolarHBondContact CA-O 3.48Å; W306-I312 VanDerWaalsContact CD1-O 3.29Å; C307-I312 PolarHBondContact N-O 3.09Å; C310-I312 HydrophobicContact CB-CB 4.39Å; C310-I312 HydrophobicContact CB-CD1 4.34Å; C310-I312 WeakPolarHBondContact O-CG1 3.28Å; C310-I312 PolarHBondContact O-N 3.08Å; I312-Y314 HydrophobicContact CB-CE2 3.76Å; I312-Y314 HydrophobicContact CG2-CD1 4.32Å; I312-Y314 HydrophobicContact CG2-CD2 4.04Å; I312-Y314 HydrophobicContact CG2-CE1 3.89Å; I312-Y314 HydrophobicContact CG2-CE2 3.58Å; I312-Y314 HydrophobicContact CG2-CG 4.38Å; I312-Y314 VanDerWaalsContact CG2-CZ 3.49Å; I312-Y314 VanDerWaalsContact O-CD2 3.28Å; I312-Y314 WeakPolarHBondContact O-CD2 3.01Å; I312-Y314 WeakPolarHBondContact O-CE2 3.45Å
313	F	83.6	Confident	82.5	Confident	4 Å²	4	56.4 Å²	56.4	2%	0.018	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	131.2	170.3	-74.9	-76.3	0	0	0	112.6	P271 L272 Q274 A303 W306 A337 V341 I344	P271-F313 HydrophobicContact CB-CD1 3.91Å; P271-F313 HydrophobicContact CB-CD2 4.31Å; P271-F313 HydrophobicContact CB-CE1 3.97Å; P271-F313 HydrophobicContact CB-CE2 4.35Å; P271-F313 HydrophobicContact CB-CG 4.09Å; P271-F313 HydrophobicContact CB-CZ 4.18Å; P271-F313 HydrophobicContact CG-CD1 3.73Å; P271-F313 HydrophobicContact CG-CE1 3.65Å; P271-F313 HydrophobicContact CG-CG 4.4Å; P271-F313 HydrophobicContact CG-CZ 4.24Å; L272-F313 WeakPolarHBondContact O-CB 3.37Å; Q274-F313 HydrophobicContact CG-CB 4.41Å; Q274-F313 PolarHBondContact N-O 3.49Å; A303-F313 HydrophobicContact CB-CB 3.71Å; A303-F313 HydrophobicContact CB-CD1 4.12Å; A303-F313 HydrophobicContact CB-CG 4.35Å; W306-F313 HydrophobicContact CB-CD1 3.82Å; W306-F313 HydrophobicContact CB-CE1 3.77Å; W306-F313 AromaticContact CD1-CD1 3.73Å; W306-F313 AromaticContact CD1-CD2 3.89Å; W306-F313 AromaticContact CD1-CE1 3.66Å; W306-F313 AromaticContact CD1-CE2 3.84Å; W306-F313 AromaticContact CD1-CG 3.84Å; W306-F313 AromaticContact CD1-CZ 3.73Å; W306-F313 HydrophobicContact CG-CD1 4.11Å; W306-F313 AromaticContact CG-CE1 3.89Å; W306-F313 HydrophobicContact CG-CE1 3.89Å; W306-F313 HydrophobicContact CG-CZ 4.24Å; F313-A337 HydrophobicContact CD1-CB 4.22Å; F313-A337 HydrophobicContact CE1-CB 4.39Å; F313-A337 WeakPolarHBondContact CE1-O 3.37Å; F313-V341 HydrophobicContact CE1-CG2 4.02Å; F313-V341 HydrophobicContact CZ-CG2 3.78Å; F313-I344 HydrophobicContact CE2-CD1 3.64Å; F313-I344 HydrophobicContact CZ-CD1 3.69Å
314	Y	81.2	Confident	81.9	Confident	10 Å²	10	57.5 Å²	57.5	4%	0.039	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	134.5	-175.9	-55.2	-100.2	0	0	0	111.8	L275 A303 T304 F305 C307 I312 R319 H323	L275-Y314 HydrophobicContact CD1-CD1 3.79Å; L275-Y314 HydrophobicContact CD1-CE1 3.5Å; A303-Y314 CarbonylContact C-O 3.6Å; A303-Y314 WeakPolarHBondContact CA-O 3.49Å; T304-Y314 PolarHBondContact N-O 3.29Å; F305-Y314 PolarHBondContact N-O 3.15Å; F305-Y314 PolarHBondContact O-N 2.78Å; C307-Y314 HydrophobicContact CB-CE2 3.7Å; I312-Y314 HydrophobicContact CB-CE2 3.76Å; I312-Y314 HydrophobicContact CG2-CD1 4.32Å; I312-Y314 HydrophobicContact CG2-CD2 4.04Å; I312-Y314 HydrophobicContact CG2-CE1 3.89Å; I312-Y314 HydrophobicContact CG2-CE2 3.58Å; I312-Y314 HydrophobicContact CG2-CG 4.38Å; I312-Y314 VanDerWaalsContact CG2-CZ 3.49Å; I312-Y314 VanDerWaalsContact O-CD2 3.28Å; I312-Y314 WeakPolarHBondContact O-CD2 3.01Å; I312-Y314 WeakPolarHBondContact O-CE2 3.45Å; Y314-R319 HydrophobicContact CG-CB 4.5Å; Y314-H323 HydrophobicContact CD1-CB 4.4Å; Y314-H323 HydrophobicContact CE1-CB 3.88Å; Y314-H323 AromaticContact CZ-CD2 3.97Å
315	C	85.7	Confident	81.3	Confident	7 Å²	7	57.9 Å²	57.9	5%	0.047	29%	0.292	C	S	.	.			trans	-72.6	162.5	156.1	72.3	0	0	0	0	110	C273 C301 L302 R317 C318 R319	C273-C315 HydrophobicContact CB-CB 3.85Å; C273-C315 PolarHBondContact SG-N 3Å; C273-C315 VanDerWaalsContact SG-SG 3.66Å; C301-C315 HydrophobicContact CB-CB 3.69Å; L302-C315 WeakPolarHBondContact O-CB 3.43Å; C315-R317 VanDerWaalsContact C-N 3.29Å; C315-R317 PolarHBondContact O-N 3.14Å; C315-C318 PolarHBondContact O-N 2.88Å; C315-C318 PolarHBondContact SG-N 2.85Å; C315-C318 VanDerWaalsContact SG-SG 3.69Å; C315-R319 PolarHBondContact O-N 2.68Å
316	T	82.7	Confident	80.7	Confident	59 Å²	59	64.8 Å²	64.8	36%	0.362	32%	0.317	S	S	.	.	H	α-helix	trans	-50.7	-44.8	180	-48.8	0	0	0	0	113.2	T304 F305 R319 E320	T304-T316 PolarHBondContact OG1-OG1 3.36Å; F305-T316 HydrophobicContact CE2-CG2 4.36Å; T316-R319 WeakPolarHBondContact O-CB 3.33Å; T316-R319 PolarHBondContact O-N 2.79Å; T316-E320 WeakPolarHBondContact O-CG 3.22Å; T316-E320 PolarHBondContact O-N 2.8Å; T316-E320 VanDerWaalsContact O-N 3.08Å
317	R	81.5	Confident	79.9	Confident	134 Å²	134	67.6 Å²	67.6	51%	0.506	35%	0.346	S	S	.	.	H	α-helix	trans	-63.7	-45.6	179.8	-72.7	-175.9	168.1	-155	3.9	113.2	E298 C315 E320 K321	E298-R317 VanDerWaalsContact CD-CZ 3.44Å; E298-R317 IonicContact OE1-CZ 2.86Å; E298-R317 IonicContact OE1-NE 3.56Å; E298-R317 IonicContact OE1-NH1 2.86Å; E298-R317 PolarHBondContact OE1-NH1 2.62Å; E298-R317 IonicContact OE1-NH2 2.91Å; E298-R317 PolarHBondContact OE1-NH2 2.83Å; E298-R317 WeakPolarHBondContact OE2-CD 3.48Å; E298-R317 IonicContact OE2-CZ 3.23Å; E298-R317 VanDerWaalsContact OE2-CZ 3.23Å; E298-R317 IonicContact OE2-NE 3.56Å; E298-R317 IonicContact OE2-NH1 3.76Å; E298-R317 PolarHBondContact OE2-NH1 3.19Å; C315-R317 VanDerWaalsContact C-N 3.29Å; C315-R317 PolarHBondContact O-N 3.14Å; R317-E320 PolarHBondContact O-N 3.19Å; R317-K321 WeakPolarHBondContact O-CG 3.19Å; R317-K321 PolarHBondContact O-N 3.02Å
318	C	81.4	Confident	79.5	Confident	19 Å²	19	73.3 Å²	73.3	13%	0.128	38%	0.383	C	S	.	.	H	α-helix	trans	-75.3	-27.4	-179.9	-64.5	0	0	0	0	112.1	L275 C315 C322	L275-C318 HydrophobicContact CB-CB 4.07Å; L275-C318 PolarHBondContact O-SG 2.86Å; C315-C318 PolarHBondContact O-N 2.88Å; C315-C318 PolarHBondContact SG-N 2.85Å; C315-C318 VanDerWaalsContact SG-SG 3.69Å; C318-C322 VanDerWaalsContact O-CB 3.23Å; C318-C322 WeakPolarHBondContact O-CB 3.41Å; C318-C322 PolarHBondContact O-N 2.98Å
319	R	84.5	Confident	79	Confident	80 Å²	80	72.2 Å²	72.2	30%	0.302	38%	0.379	S	S	.	.	H	α-helix	trans	-58.9	-54.6	166.9	175.5	-170.4	168.3	-166.2	-2.9	110.6	F305 Y314 C315 T316 K321 C322 H323 L334	F305-R319 HydrophobicContact CD2-CB 4.23Å; F305-R319 VanDerWaalsContact CD2-CD 3.43Å; F305-R319 HydrophobicContact CD2-CG 4.4Å; Y314-R319 HydrophobicContact CG-CB 4.5Å; C315-R319 PolarHBondContact O-N 2.68Å; T316-R319 WeakPolarHBondContact O-CB 3.33Å; T316-R319 PolarHBondContact O-N 2.79Å; R319-K321 VanDerWaalsContact C-N 3.28Å; R319-K321 PolarHBondContact O-N 3.09Å; R319-C322 PolarHBondContact O-N 2.75Å; R319-H323 CarbonylContact O-C 3.03Å; R319-H323 VanDerWaalsContact O-CA 3.25Å; R319-H323 WeakPolarHBondContact O-CA 3.44Å; R319-H323 PolarHBondContact O-N 2.9Å; R319-H323 VanDerWaalsContact O-O 3.06Å; R319-L334 VanDerWaalsContact CD-CD2 3.44Å; R319-L334 HydrophobicContact CG-CD2 3.82Å
320	E	79.2	Confident	78.6	Confident	136 Å²	136	72.9 Å²	72.9	64%	0.636	39%	0.386	S	S	*	.	H	α-helix	trans	-62	-35.8	-174.9	-72.4	170.9	-176.9	0	0	113.1	T316 R317	T316-E320 WeakPolarHBondContact O-CG 3.22Å; T316-E320 PolarHBondContact O-N 2.8Å; T316-E320 VanDerWaalsContact O-N 3.08Å; R317-E320 PolarHBondContact O-N 3.19Å
321	K	79.5	Confident	78.6	Confident	169 Å²	169	81.8 Å²	81.8	74%	0.735	41%	0.413	S	S	*	.	H	α-helix	trans	-76.1	-48.7	176.7	-68.7	178.6	178.7	-179	0	113.3	R317 R319	R317-K321 WeakPolarHBondContact O-CG 3.19Å; R317-K321 PolarHBondContact O-N 3.02Å; R319-K321 VanDerWaalsContact C-N 3.28Å; R319-K321 PolarHBondContact O-N 3.09Å
322	C	74.4	Confident	78.6	Confident	71 Å²	71	79.2 Å²	79.2	48%	0.48	40%	0.401	S	S	.	.	H	α-helix	trans	-107.6	-16.6	-165	-53.9	0	0	0	0	114.1	L275 C318 R319 P324	L275-C322 HydrophobicContact CD1-CB 3.75Å; C318-C322 VanDerWaalsContact O-CB 3.23Å; C318-C322 WeakPolarHBondContact O-CB 3.41Å; C318-C322 PolarHBondContact O-N 2.98Å; R319-C322 PolarHBondContact O-N 2.75Å; C322-P324 VanDerWaalsContact C-CD 3.49Å
323	H	80	Confident	78.9	Confident	7 Å²	7	78.3 Å²	78.3	3%	0.032	40%	0.401	C	S	.	.	S	Bend	trans	-134	63.6	175.2	-161.8	-58.2	0	0	0	111.7	C307 Y314 R319 H332 L334	C307-H323 PolarHBondContact SG-NE2 3.34Å; Y314-H323 HydrophobicContact CD1-CB 4.4Å; Y314-H323 HydrophobicContact CE1-CB 3.88Å; Y314-H323 AromaticContact CZ-CD2 3.97Å; R319-H323 CarbonylContact O-C 3.03Å; R319-H323 VanDerWaalsContact O-CA 3.25Å; R319-H323 WeakPolarHBondContact O-CA 3.44Å; R319-H323 PolarHBondContact O-N 2.9Å; R319-H323 VanDerWaalsContact O-O 3.06Å; H323-H332 AromaticContact NE2-CG 3.8Å; H323-H332 AromaticContact NE2-ND1 3.5Å; H323-H332 PolarHBondContact NE2-ND1 3.34Å; H323-L334 WeakPolarHBondContact CE1-CD1 3.27Å
324	P	69.6	Low	78.9	Confident	36 Å²	36	80.4 Å²	80.4	23%	0.234	41%	0.412	C	S	.	.			trans	-73.9	141.7	176.9	32.4	-36.8	0	0	0	111.1	C322 R326	C322-P324 VanDerWaalsContact C-CD 3.49Å; P324-R326 HydrophobicContact CB-CG 4.14Å; P324-R326 HydrophobicContact CG-CG 4.31Å; P324-R326 PolarHBondContact O-N 2.88Å
325	A	71.8	Confident	79.2	Confident	73 Å²	73	81.7 Å²	81.7	60%	0.603	42%	0.419	S	S	*	.	S	Bend	trans	-75	60.1	-179.2	0	0	0	0	0	113.1	N330	A325-N330 PolarHBondContact O-OD1 2.89Å
326	R	74.5	Confident	79.3	Confident	190 Å²	190	83.5 Å²	83.5	72%	0.717	43%	0.431	S	S	*	.	S	Bend	trans	-156	155.9	179.9	60.8	-175.2	177.4	178.7	-1.7	111.1	P324	P324-R326 HydrophobicContact CB-CG 4.14Å; P324-R326 HydrophobicContact CG-CG 4.31Å; P324-R326 PolarHBondContact O-N 2.88Å
327	G	74.7	Confident	79.3	Confident	58 Å²	58	81 Å²	81	60%	0.598	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	65.1	-145.7	-177.9	0	0	0	0	0	112.3	L329 N330	G327-L329 VanDerWaalsContact C-N 3.29Å; G327-L329 PolarHBondContact O-N 3.4Å; G327-N330 VanDerWaalsContact O-CB 3.27Å; G327-N330 WeakPolarHBondContact O-CB 3.29Å; G327-N330 PolarHBondContact O-N 2.9Å; G327-N330 VanDerWaalsContact O-N 3.15Å
328	P	73.1	Confident	79.3	Confident	120 Å²	120	79.8 Å²	79.8	78%	0.779	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-55.8	-39.1	-175.7	-26.7	35.4	0	0	0	114.2	N330	P328-N330 PolarHBondContact O-N 3.17Å
329	L	73.8	Confident	79.3	Confident	46 Å²	46	83.3 Å²	83.3	24%	0.241	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-71.9	-10.2	-176.5	-58.2	-178.9	0	0	0	113.7	G327 R331 H332	G327-L329 VanDerWaalsContact C-N 3.29Å; G327-L329 PolarHBondContact O-N 3.4Å; L329-R331 PolarHBondContact O-N 3.23Å; L329-R331 VanDerWaalsContact O-N 3.08Å; L329-H332 VanDerWaalsContact CD2-CE1 3.47Å; L329-H332 WeakPolarHBondContact CD2-CE1 3.32Å; L329-H332 WeakPolarHBondContact O-CB 3.2Å; L329-H332 PolarHBondContact O-N 3.47Å
330	N	76.2	Confident	79.2	Confident	106 Å²	106	79.5 Å²	79.5	57%	0.567	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-66.9	-8	179.3	-165.3	40.7	0	0	0	114.1	A325 G327 P328	A325-N330 PolarHBondContact O-OD1 2.89Å; G327-N330 VanDerWaalsContact O-CB 3.27Å; G327-N330 WeakPolarHBondContact O-CB 3.29Å; G327-N330 PolarHBondContact O-N 2.9Å; G327-N330 VanDerWaalsContact O-N 3.15Å; P328-N330 PolarHBondContact O-N 3.17Å
331	R	80.3	Confident	79.3	Confident	231 Å²	231	73.6 Å²	73.6	87%	0.872	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-104.5	2.5	173.3	-69.8	-175.3	175.7	173	-0.9	113.7	L329	L329-R331 PolarHBondContact O-N 3.23Å; L329-R331 VanDerWaalsContact O-N 3.08Å
332	H	83.9	Confident	79.1	Confident	55 Å²	55	68.6 Å²	68.6	26%	0.255	38%	0.377	S	S	.	.	S	Bend	trans	-81.7	133.2	178.3	-71.9	-149.5	0	0	0	109.9	C307 C310 H323 L329 L334	C307-H332 PolarHBondContact SG-ND1 3.29Å; C307-H332 VanDerWaalsContact SG-ND1 3.4Å; C310-H332 VanDerWaalsContact SG-CE1 3.52Å; C310-H332 PolarHBondContact SG-ND1 3.47Å; C310-H332 VanDerWaalsContact SG-ND1 3.35Å; H323-H332 AromaticContact NE2-CG 3.8Å; H323-H332 AromaticContact NE2-ND1 3.5Å; H323-H332 PolarHBondContact NE2-ND1 3.34Å; L329-H332 VanDerWaalsContact CD2-CE1 3.47Å; L329-H332 WeakPolarHBondContact CD2-CE1 3.32Å; L329-H332 WeakPolarHBondContact O-CB 3.2Å; L329-H332 PolarHBondContact O-N 3.47Å; H332-L334 PolarHBondContact O-N 2.94Å
333	A	84.7	Confident	79.3	Confident	33 Å²	33	66.9 Å²	66.9	27%	0.273	36%	0.363	S	S	.	.			trans	-73	122.3	170.3	0	0	0	0	0	109.3	C307 E308 Q309	C307-A333 WeakPolarHBondContact CA-O 3.4Å; E308-A333 HydrophobicContact CB-CB 4.26Å; E308-A333 PolarHBondContact N-O 3.14Å; Q309-A333 PolarHBondContact OE1-O 2.98Å
334	L	84.9	Confident	79.1	Confident	48 Å²	48	67.8 Å²	67.8	25%	0.251	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	113.8	167.9	-109.1	72.7	0	0	0	109	F305 W306 C307 R319 H323 H332	F305-L334 HydrophobicContact CB-CD2 3.97Å; F305-L334 HydrophobicContact CB-CG 4.38Å; F305-L334 HydrophobicContact CD1-CD2 4.45Å; F305-L334 HydrophobicContact CG-CD2 4.23Å; W306-L334 WeakPolarHBondContact O-CA 3.45Å; C307-L334 HydrophobicContact CB-CD1 3.68Å; C307-L334 HydrophobicContact CB-CG 4.49Å; R319-L334 VanDerWaalsContact CD-CD2 3.44Å; R319-L334 HydrophobicContact CG-CD2 3.82Å; H323-L334 WeakPolarHBondContact CE1-CD1 3.27Å; H332-L334 PolarHBondContact O-N 2.94Å
335	H	86.4	Confident	79.2	Confident	38 Å²	38	70.4 Å²	70.4	18%	0.176	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	166.2	174.4	-59.1	-79.5	0	0	0	109.6	F305 W306 E308 E339 I343	F305-H335 WeakPolarHBondContact CA-O 3.24Å; W306-H335 HydrophobicContact CE3-CB 4.25Å; W306-H335 AromaticContact CE3-CD2 3.7Å; W306-H335 AromaticContact CZ3-CD2 3.75Å; W306-H335 PolarHBondContact N-O 2.82Å; W306-H335 PolarHBondContact O-N 3.35Å; E308-H335 IonicContact OE2-CD2 2.87Å; E308-H335 IonicContact OE2-CE1 2.69Å; E308-H335 IonicContact OE2-NE2 3.86Å; E308-H335 PolarHBondContact OE2-NE2 3.2Å; H335-E339 HydrophobicContact CB-CB 4.2Å; H335-E339 HydrophobicContact CB-CG 3.91Å; H335-I343 HydrophobicContact CB-CD1 4.35Å
336	S	87.9	Confident	79	Confident	45 Å²	45	71.9 Å²	71.9	32%	0.315	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	152.6	166.4	64.3	0	0	0	0	110.5	T338 E339 G340	S336-T338 PolarHBondContact O-N 3.36Å; S336-T338 PolarHBondContact OG-OG1 3.23Å; S336-E339 PolarHBondContact N-OE2 3.18Å; S336-E339 WeakPolarHBondContact O-CB 3.39Å; S336-E339 PolarHBondContact O-N 3.15Å; S336-E339 VanDerWaalsContact O-N 3.07Å; S336-E339 WeakPolarHBondContact OG-CB 3.48Å; S336-E339 PolarHBondContact OG-N 2.98Å; S336-E339 PolarHBondContact OG-OE2 2.74Å; S336-G340 PolarHBondContact O-N 3.03Å
337	A	83.7	Confident	78.8	Confident	6 Å²	6	66.5 Å²	66.5	5%	0.05	35%	0.349	C	S	.	.	H	α-helix	trans	-60.7	-33.8	179.6	0	0	0	0	0	112.9	P271 A303 T304 F313 V341	P271-A337 HydrophobicContact CG-CB 3.98Å; A303-A337 HydrophobicContact CB-CB 4.09Å; A303-A337 WeakPolarHBondContact O-CB 3.31Å; T304-A337 PolarHBondContact O-N 3.06Å; F313-A337 HydrophobicContact CD1-CB 4.22Å; F313-A337 HydrophobicContact CE1-CB 4.39Å; F313-A337 WeakPolarHBondContact CE1-O 3.37Å; A337-V341 WeakPolarHBondContact O-CG2 3.17Å; A337-V341 PolarHBondContact O-N 3.41Å
338	T	81.1	Confident	78.4	Confident	108 Å²	108	67.8 Å²	67.8	66%	0.663	34%	0.339	S	S	*	.	H	α-helix	trans	-64.4	-38.2	172.5	36.6	0	0	0	0	113.4	S336 E342	S336-T338 PolarHBondContact O-N 3.36Å; S336-T338 PolarHBondContact OG-OG1 3.23Å; T338-E342 PolarHBondContact O-N 2.89Å
339	E	81.8	Confident	78	Confident	93 Å²	93	68 Å²	68	44%	0.435	32%	0.324	S	S	.	.	H	α-helix	trans	-76	-37.6	178.1	179.5	176.1	-145	0	0	111.2	H335 S336 V341 E342 I343	H335-E339 HydrophobicContact CB-CB 4.2Å; H335-E339 HydrophobicContact CB-CG 3.91Å; S336-E339 PolarHBondContact N-OE2 3.18Å; S336-E339 WeakPolarHBondContact O-CB 3.39Å; S336-E339 PolarHBondContact O-N 3.15Å; S336-E339 VanDerWaalsContact O-N 3.07Å; S336-E339 WeakPolarHBondContact OG-CB 3.48Å; S336-E339 PolarHBondContact OG-N 2.98Å; S336-E339 PolarHBondContact OG-OE2 2.74Å; E339-V341 PolarHBondContact O-N 2.95Å; E339-E342 CarbonylContact O-C 3.59Å; E339-E342 PolarHBondContact O-N 2.91Å; E339-E342 VanDerWaalsContact O-N 3.15Å; E339-I343 HydrophobicContact CG-CD1 4.05Å; E339-I343 WeakPolarHBondContact O-CB 3.49Å; E339-I343 VanDerWaalsContact O-CG1 3.26Å; E339-I343 WeakPolarHBondContact O-CG1 3.45Å; E339-I343 PolarHBondContact O-N 2.67Å
340	G	82.5	Confident	77.6	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-60.8	-41.2	169.8	0	0	0	0	0	113.1	S336 E342 I343 I344	S336-G340 PolarHBondContact O-N 3.03Å; G340-E342 VanDerWaalsContact C-N 3.33Å; G340-E342 PolarHBondContact O-N 3.12Å; G340-I343 PolarHBondContact O-N 2.68Å; G340-I344 WeakPolarHBondContact O-CB 3.32Å; G340-I344 VanDerWaalsContact O-CG1 3.27Å; G340-I344 WeakPolarHBondContact O-CG1 3.23Å; G340-I344 PolarHBondContact O-N 3.02Å
341	V	79.8	Confident	77.2	Confident	13 Å²	13	72 Å²	72	8%	0.079	34%	0.342	C	S	.	.	H	α-helix	trans	-57.1	-45.3	170.4	159.8	0	0	0	0	111.4	I265 P271 F313 A337 E339 I344 R345	I265-V341 HydrophobicContact CG2-CB 4.46Å; I265-V341 HydrophobicContact CG2-CG1 3.86Å; I265-V341 HydrophobicContact CG2-CG2 4.22Å; P271-V341 HydrophobicContact CB-CG2 4.28Å; P271-V341 HydrophobicContact CG-CG2 3.8Å; F313-V341 HydrophobicContact CE1-CG2 4.02Å; F313-V341 HydrophobicContact CZ-CG2 3.78Å; A337-V341 WeakPolarHBondContact O-CG2 3.17Å; A337-V341 PolarHBondContact O-N 3.41Å; E339-V341 PolarHBondContact O-N 2.95Å; V341-I344 PolarHBondContact O-N 2.78Å; V341-R345 WeakPolarHBondContact O-CB 3.29Å; V341-R345 VanDerWaalsContact O-CG 3.28Å; V341-R345 WeakPolarHBondContact O-CG 3.5Å; V341-R345 PolarHBondContact O-N 3.15Å
342	E	75.9	Confident	76.8	Confident	63 Å²	63	64.5 Å²	64.5	29%	0.294	32%	0.323	S	S	.	.	H	α-helix	trans	-74.7	-33.8	-179.4	-167.1	54.5	-149.2	0	0	112.9	T338 E339 G340 R345 Q346	T338-E342 PolarHBondContact O-N 2.89Å; E339-E342 CarbonylContact O-C 3.59Å; E339-E342 PolarHBondContact O-N 2.91Å; E339-E342 VanDerWaalsContact O-N 3.15Å; G340-E342 VanDerWaalsContact C-N 3.33Å; G340-E342 PolarHBondContact O-N 3.12Å; E342-R345 PolarHBondContact O-N 3.13Å; E342-R345 VanDerWaalsContact OE2-CD 3.3Å; E342-R345 WeakPolarHBondContact OE2-CD 3.46Å; E342-R345 IonicContact OE2-NH1 2.7Å; E342-Q346 WeakPolarHBondContact O-CB 3.35Å; E342-Q346 VanDerWaalsContact O-CG 3.3Å; E342-Q346 WeakPolarHBondContact O-CG 3.22Å; E342-Q346 PolarHBondContact O-N 3.48Å
343	I	78.3	Confident	76.4	Confident	36 Å²	36	64.4 Å²	64.4	19%	0.185	33%	0.327	C	S	.	.	H	α-helix	trans	-63.5	-42.8	171.4	-69.3	164.7	0	0	0	110.3	W306 H335 E339 G340 Q346 K347	W306-I343 HydrophobicContact CE3-CD1 4.47Å; W306-I343 HydrophobicContact CH2-CB 4.28Å; W306-I343 HydrophobicContact CH2-CG2 3.66Å; W306-I343 HydrophobicContact CZ3-CB 3.97Å; W306-I343 HydrophobicContact CZ3-CD1 3.94Å; W306-I343 HydrophobicContact CZ3-CG2 3.68Å; H335-I343 HydrophobicContact CB-CD1 4.35Å; E339-I343 HydrophobicContact CG-CD1 4.05Å; E339-I343 WeakPolarHBondContact O-CB 3.49Å; E339-I343 VanDerWaalsContact O-CG1 3.26Å; E339-I343 WeakPolarHBondContact O-CG1 3.45Å; E339-I343 PolarHBondContact O-N 2.67Å; G340-I343 PolarHBondContact O-N 2.68Å; I343-Q346 PolarHBondContact O-N 3.01Å; I343-K347 HydrophobicContact CG2-CD 4.49Å; I343-K347 WeakPolarHBondContact O-CG 3.38Å; I343-K347 PolarHBondContact O-N 3.44Å
344	I	75.8	Confident	75.9	Confident	25 Å²	25	65.2 Å²	65.2	13%	0.128	33%	0.329	C	S	.	.	H	α-helix	trans	-65.5	-42.7	174.8	-66.4	162.5	0	0	0	110.6	I265 W306 F313 G340 V341 Q346 K347 Q348	I265-I344 HydrophobicContact CD1-CB 4.41Å; I265-I344 HydrophobicContact CD1-CG2 3.56Å; W306-I344 HydrophobicContact CH2-CG1 4.37Å; W306-I344 HydrophobicContact CZ2-CD1 3.98Å; W306-I344 HydrophobicContact CZ2-CG1 3.75Å; F313-I344 HydrophobicContact CE2-CD1 3.64Å; F313-I344 HydrophobicContact CZ-CD1 3.69Å; G340-I344 WeakPolarHBondContact O-CB 3.32Å; G340-I344 VanDerWaalsContact O-CG1 3.27Å; G340-I344 WeakPolarHBondContact O-CG1 3.23Å; G340-I344 PolarHBondContact O-N 3.02Å; V341-I344 PolarHBondContact O-N 2.78Å; I344-Q346 VanDerWaalsContact C-N 3.28Å; I344-Q346 PolarHBondContact O-N 2.96Å; I344-K347 WeakPolarHBondContact O-CB 3.43Å; I344-K347 PolarHBondContact O-N 3.38Å; I344-Q348 HydrophobicContact CG2-CG 4.18Å; I344-Q348 WeakPolarHBondContact O-CB 3.39Å; I344-Q348 VanDerWaalsContact O-CG 3.32Å; I344-Q348 WeakPolarHBondContact O-CG 3.3Å; I344-Q348 PolarHBondContact O-N 3.15Å
345	R	71.2	Confident	75.6	Confident	92 Å²	92	63.1 Å²	63.1	35%	0.347	32%	0.319	S	S	.	.	H	α-helix	trans	-60	-36.4	173.6	-75.6	168.5	170.8	178.4	-1.3	112.5	N266 V341 E342 R349	N266-R345 PolarHBondContact OD1-NH2 2.76Å; V341-R345 WeakPolarHBondContact O-CB 3.29Å; V341-R345 VanDerWaalsContact O-CG 3.28Å; V341-R345 WeakPolarHBondContact O-CG 3.5Å; V341-R345 PolarHBondContact O-N 3.15Å; E342-R345 PolarHBondContact O-N 3.13Å; E342-R345 VanDerWaalsContact OE2-CD 3.3Å; E342-R345 WeakPolarHBondContact OE2-CD 3.46Å; E342-R345 IonicContact OE2-NH1 2.7Å; R345-R349 VanDerWaalsContact O-CB 3.26Å; R345-R349 WeakPolarHBondContact O-CB 3.17Å; R345-R349 WeakPolarHBondContact O-CG 3.34Å; R345-R349 PolarHBondContact O-N 3.39Å
346	Q	69.2	Low	74.8	Confident	103 Å²	103	67.5 Å²	67.5	48%	0.481	34%	0.341	S	S	.	.	H	α-helix	trans	-72.7	-38.6	174.5	-73.1	179.9	30.7	0	0	112.6	E342 I343 I344 N350	E342-Q346 WeakPolarHBondContact O-CB 3.35Å; E342-Q346 VanDerWaalsContact O-CG 3.3Å; E342-Q346 WeakPolarHBondContact O-CG 3.22Å; E342-Q346 PolarHBondContact O-N 3.48Å; I343-Q346 PolarHBondContact O-N 3.01Å; I344-Q346 VanDerWaalsContact C-N 3.28Å; I344-Q346 PolarHBondContact O-N 2.96Å; Q346-N350 WeakPolarHBondContact O-CB 3.43Å; Q346-N350 PolarHBondContact O-N 3.34Å; Q346-N350 PolarHBondContact O-ND2 2.77Å
347	K	70.7	Confident	73.9	Confident	77 Å²	77	68.7 Å²	68.7	34%	0.335	35%	0.349	S	S	.	.	H	α-helix	trans	-58.1	-53.6	169.4	-76.6	178.1	174.1	177.8	0	109.9	E311 I343 I344 N350 Q351	E311-K347 IonicContact OE1-NZ 3.11Å; E311-K347 PolarHBondContact OE1-NZ 2.91Å; I343-K347 HydrophobicContact CG2-CD 4.49Å; I343-K347 WeakPolarHBondContact O-CG 3.38Å; I343-K347 PolarHBondContact O-N 3.44Å; I344-K347 WeakPolarHBondContact O-CB 3.43Å; I344-K347 PolarHBondContact O-N 3.38Å; K347-N350 CarbonylContact O-C 3.6Å; K347-N350 PolarHBondContact O-N 3.31Å; K347-N350 VanDerWaalsContact O-N 3.16Å; K347-Q351 WeakPolarHBondContact O-CG 3.22Å; K347-Q351 PolarHBondContact O-N 2.86Å
348	Q	66.3	Low	73.5	Confident	85 Å²	85	69.8 Å²	69.8	40%	0.397	35%	0.353	S	S	.	.	H	α-helix	trans	-58.1	-48.8	178.1	-73.1	173.9	-15.8	0	0	112.6	I344 N350 Q351	I344-Q348 HydrophobicContact CG2-CG 4.18Å; I344-Q348 WeakPolarHBondContact O-CB 3.39Å; I344-Q348 VanDerWaalsContact O-CG 3.32Å; I344-Q348 WeakPolarHBondContact O-CG 3.3Å; I344-Q348 PolarHBondContact O-N 3.15Å; Q348-N350 PolarHBondContact O-N 3.15Å; Q348-N350 VanDerWaalsContact O-N 3.16Å; Q348-Q351 PolarHBondContact O-N 2.86Å; Q348-Q351 VanDerWaalsContact O-N 3.14Å
349	R	63.9	Low	73.1	Confident	124 Å²	124	70.2 Å²	70.2	47%	0.468	35%	0.351	S	S	.	.	H	α-helix	trans	-55.5	-33.6	176.4	-88	174.5	156	165.5	-9.8	112.8	R232 R345	R232-R349 PolarHBondContact NE-O 2.9Å; R232-R349 PolarHBondContact NH2-O 3Å; R345-R349 VanDerWaalsContact O-CB 3.26Å; R345-R349 WeakPolarHBondContact O-CB 3.17Å; R345-R349 WeakPolarHBondContact O-CG 3.34Å; R345-R349 PolarHBondContact O-N 3.39Å
350	N	64.9	Low	72.8	Confident	118 Å²	118	73.8 Å²	73.8	63%	0.631	37%	0.373	S	S	*	.	H	α-helix	trans	-96.4	-3.2	-178.5	-71	-50.1	0	0	0	114.8	Q346 K347 Q348	Q346-N350 WeakPolarHBondContact O-CB 3.43Å; Q346-N350 PolarHBondContact O-N 3.34Å; Q346-N350 PolarHBondContact O-ND2 2.77Å; K347-N350 CarbonylContact O-C 3.6Å; K347-N350 PolarHBondContact O-N 3.31Å; K347-N350 VanDerWaalsContact O-N 3.16Å; Q348-N350 PolarHBondContact O-N 3.15Å; Q348-N350 VanDerWaalsContact O-N 3.16Å
351	Q	68.3	Low	72.7	Confident	119 Å²	119	76.2 Å²	76.2	56%	0.556	39%	0.385	S	S	*	.	S	Bend	trans	-56.1	144.4	178	-82.9	-178.6	-0.3	0	0	111.4	R232 K347 Q348	R232-Q351 PolarHBondContact NH2-O 2.83Å; K347-Q351 WeakPolarHBondContact O-CG 3.22Å; K347-Q351 PolarHBondContact O-N 2.86Å; Q348-Q351 PolarHBondContact O-N 2.86Å; Q348-Q351 VanDerWaalsContact O-N 3.14Å
352	P	71.5	Confident	72.8	Confident	73 Å²	73	80.5 Å²	80.5	47%	0.474	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-64	142.2	171	28.9	-34.2	0	0	0	109.6	I362	P352-I362 HydrophobicContact CB-CG1 4.47Å; P352-I362 HydrophobicContact CB-CG2 3.86Å; P352-I362 HydrophobicContact CG-CD1 3.59Å; P352-I362 HydrophobicContact CG-CG1 3.87Å; P352-I362 HydrophobicContact CG-CG2 3.98Å
353	T	75.7	Confident	73.2	Confident	54 Å²	54	78 Å²	78	33%	0.331	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-69.5	129.1	175.9	48.7	0	0	0	0	109.7	P363	T353-P363 WeakPolarHBondContact O-CD 3.27Å
354	P	75.2	Confident	73.6	Confident	49 Å²	49	79.9 Å²	79.9	32%	0.318	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-64.7	164.6	170.3	29	-34.8	0	0	0	111.1	L359 I361	P354-L359 WeakPolarHBondContact CB-O 3.06Å; P354-L359 WeakPolarHBondContact CG-O 3.45Å; P354-I361 CarbonylContact C-O 3.58Å; P354-I361 WeakPolarHBondContact CA-O 3.38Å
355	C	77	Confident	74.3	Confident	5 Å²	5	80.2 Å²	80.2	3%	0.034	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-64.1	143.6	177.8	-177.7	0	0	0	0	110.7	S357 H358 I361 C375 C378	C355-S357 VanDerWaalsContact C-N 3.33Å; C355-S357 PolarHBondContact O-N 2.76Å; C355-H358 HydrophobicContact CB-CB 4.05Å; C355-H358 CarbonylContact O-C 3.58Å; C355-H358 PolarHBondContact O-N 2.96Å; C355-I361 WeakPolarHBondContact CB-O 3.44Å; C355-I361 PolarHBondContact N-O 2.78Å; C355-C375 HydrophobicContact CB-CB 4.35Å; C355-C378 PolarHBondContact SG-SG 2.81Å
356	M	70.5	Confident	75.1	Confident	130 Å²	130	77.8 Å²	77.8	64%	0.64	40%	0.399	S	S	*	.	S	Bend	trans	-62.1	-39.3	-176.2	-64.7	-96.6	43.1	0	0	112.3
357	S	68.1	Low	75.9	Confident	70 Å²	70	72.9 Å²	72.9	49%	0.49	38%	0.376	S	S	.	.	S	Bend	trans	-89.1	-24.6	177.2	-35.1	0	0	0	0	113.4	C355	C355-S357 VanDerWaalsContact C-N 3.33Å; C355-S357 PolarHBondContact O-N 2.76Å
358	H	76.3	Confident	76.5	Confident	29 Å²	29	70.9 Å²	70.9	13%	0.134	37%	0.371	C	S	.	.			trans	-123.5	77.9	-173.7	-55.6	96.2	0	0	0	110.1	C355 N360 I361 C375 E377 C378	C355-H358 HydrophobicContact CB-CB 4.05Å; C355-H358 CarbonylContact O-C 3.58Å; C355-H358 PolarHBondContact O-N 2.96Å; H358-N360 PolarHBondContact O-N 2.71Å; H358-I361 HydrophobicContact CB-CB 4.16Å; H358-I361 HydrophobicContact CB-CD1 4.04Å; H358-I361 HydrophobicContact CB-CG1 4.18Å; H358-I361 PolarHBondContact O-N 3.02Å; H358-C375 PolarHBondContact ND1-SG 2.7Å; H358-C375 VanDerWaalsContact ND1-SG 3.44Å; H358-E377 IonicContact CD2-OE2 2.83Å; H358-E377 PolarHBondContact CD2-OE2 3.46Å; H358-E377 IonicContact CG-OE2 3.72Å; H358-E377 IonicContact NE2-OE2 3.32Å; H358-C378 PolarHBondContact ND1-SG 3.39Å
359	L	71.8	Confident	77.2	Confident	117 Å²	117	70.9 Å²	70.9	61%	0.613	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-17.5	-166.8	-64.2	175.7	0	0	0	116	P354	P354-L359 WeakPolarHBondContact CB-O 3.06Å; P354-L359 WeakPolarHBondContact CG-O 3.45Å
360	N	75.7	Confident	77.6	Confident	168 Å²	168	66 Å²	66	90%	0.898	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-0.7	178.1	-66.4	-25	0	0	0	113.5	H358	H358-N360 PolarHBondContact O-N 2.71Å
361	I	80.6	Confident	78.2	Confident	51 Å²	51	64.1 Å²	64.1	26%	0.262	35%	0.345	S	S	.	.	S	Bend	trans	-116.7	125.8	-171.6	-53	-176.1	0	0	0	110.5	P354 C355 H358 C375 E377	P354-I361 CarbonylContact C-O 3.58Å; P354-I361 WeakPolarHBondContact CA-O 3.38Å; C355-I361 WeakPolarHBondContact CB-O 3.44Å; C355-I361 PolarHBondContact N-O 2.78Å; H358-I361 HydrophobicContact CB-CB 4.16Å; H358-I361 HydrophobicContact CB-CD1 4.04Å; H358-I361 HydrophobicContact CB-CG1 4.18Å; H358-I361 PolarHBondContact O-N 3.02Å; I361-C375 HydrophobicContact CB-CB 4.33Å; I361-C375 HydrophobicContact CG2-CB 3.55Å; I361-E377 HydrophobicContact CD1-CG 3.91Å; I361-E377 VanDerWaalsContact CD1-OE1 3.28Å; I361-E377 WeakPolarHBondContact CD1-OE1 3.4Å; I361-E377 WeakPolarHBondContact CD1-OE2 3.36Å
362	I	82.6	Confident	78.6	Confident	103 Å²	103	61.9 Å²	61.9	53%	0.528	34%	0.336	S	S	.	.			trans	-75.4	123.5	174	-63.7	162.7	0	0	0	108.6	P352 N364	P352-I362 HydrophobicContact CB-CG1 4.47Å; P352-I362 HydrophobicContact CB-CG2 3.86Å; P352-I362 HydrophobicContact CG-CD1 3.59Å; P352-I362 HydrophobicContact CG-CG1 3.87Å; P352-I362 HydrophobicContact CG-CG2 3.98Å; I362-N364 PolarHBondContact O-N 3.23Å
363	P	84	Confident	79.2	Confident	10 Å²	10	60.8 Å²	60.8	7%	0.065	33%	0.329	C	S	.	.			trans	-70.4	126.7	178.4	29.2	-32	0	0	0	110.4	T353 P373 V374 L398	T353-P363 WeakPolarHBondContact O-CD 3.27Å; P363-P373 HydrophobicContact CB-CB 3.99Å; P363-P373 HydrophobicContact CG-CB 3.93Å; P363-P373 HydrophobicContact CG-CG 4.47Å; P363-V374 WeakPolarHBondContact CA-O 3.29Å; P363-V374 VanDerWaalsContact CB-C 3.46Å; P363-V374 VanDerWaalsContact CB-O 3.22Å; P363-V374 WeakPolarHBondContact CB-O 3.48Å; P363-L398 VanDerWaalsContact O-CD2 3.24Å; P363-L398 WeakPolarHBondContact O-CD2 3.43Å
364	N	87.6	Confident	79.6	Confident	76 Å²	76	58.3 Å²	58.3	41%	0.406	31%	0.314	S	S	.	.			trans	-103.1	-12.3	179.4	57.6	-42.8	0	0	0	112.5	I362 V374 N376 L398	I362-N364 PolarHBondContact O-N 3.23Å; N364-V374 PolarHBondContact N-O 3.02Å; N364-N376 PolarHBondContact ND2-OD1 3.07Å; N364-N376 PolarHBondContact OD1-OD1 2.68Å; N364-L398 WeakPolarHBondContact O-CB 3.29Å; N364-L398 PolarHBondContact O-N 3.45Å
365	L	89.9	Confident	80.1	Confident	32 Å²	32	56 Å²	56	17%	0.168	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	164.8	-172.8	-62.1	174.2	0	0	0	110.8	P373 V374 N376 I379 I395 L396	L365-P373 CarbonylContact O-C 3.37Å; L365-P373 WeakPolarHBondContact O-CA 3.31Å; L365-V374 CarbonylContact C-O 3.57Å; L365-V374 HydrophobicContact CB-CG2 3.9Å; L365-V374 PolarHBondContact N-O 2.78Å; L365-V374 PolarHBondContact O-N 3.08Å; L365-V374 VanDerWaalsContact O-O 3.1Å; L365-N376 WeakPolarHBondContact CD1-OD1 3.27Å; L365-I379 HydrophobicContact CD1-CD1 3.5Å; L365-I395 HydrophobicContact CB-CG2 3.64Å; L365-I395 HydrophobicContact CD1-CG2 3.92Å; L365-I395 HydrophobicContact CD2-CG2 4.29Å; L365-I395 HydrophobicContact CG-CG2 4.15Å; L365-L396 CarbonylContact C-O 3.53Å; L365-L396 WeakPolarHBondContact CA-O 3.39Å
366	Y	87.5	Confident	80.5	Confident	40 Å²	40	60.2 Å²	60.2	16%	0.157	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	123.8	178.9	-176.2	-99.9	0	0	0	109	V368 H371 I395 L396 L398 V401	Y366-V368 HydrophobicContact CD1-CG2 4.35Å; Y366-H371 VanDerWaalsContact CE2-C 3.5Å; Y366-H371 WeakPolarHBondContact CE2-O 3.48Å; Y366-H371 VanDerWaalsContact CZ-C 3.49Å; Y366-H371 VanDerWaalsContact CZ-O 3.29Å; Y366-H371 VanDerWaalsContact OH-C 3.27Å; Y366-H371 VanDerWaalsContact OH-CA 3.24Å; Y366-H371 WeakPolarHBondContact OH-CA 3.46Å; Y366-H371 PolarHBondContact OH-ND1 2.91Å; Y366-H371 PolarHBondContact OH-O 2.64Å; Y366-I395 WeakPolarHBondContact O-CA 3.26Å; Y366-L396 PolarHBondContact N-O 3.24Å; Y366-L396 PolarHBondContact O-N 2.83Å; Y366-L398 HydrophobicContact CD2-CD1 3.83Å; Y366-L398 HydrophobicContact CG-CD1 4.26Å; Y366-V401 HydrophobicContact CD1-CB 4.27Å; Y366-V401 HydrophobicContact CD1-CG1 3.81Å; Y366-V401 HydrophobicContact CD1-CG2 4.01Å; Y366-V401 HydrophobicContact CE1-CG1 3.95Å; Y366-V401 HydrophobicContact CG-CB 4.41Å; Y366-V401 HydrophobicContact CG-CG1 4.26Å; Y366-V401 HydrophobicContact CG-CG2 4.33Å
367	C	85.5	Confident	81	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	118.3	171.8	-174.8	0	0	0	0	108.5	C370 H371 I372 V374 H390 H393 I395	C367-C370 HydrophobicContact CB-CB 4.15Å; C367-C370 PolarHBondContact SG-N 3.14Å; C367-C370 VanDerWaalsContact SG-N 3.45Å; C367-H371 WeakPolarHBondContact O-CA 3.29Å; C367-H371 PolarHBondContact O-N 3.39Å; C367-I372 PolarHBondContact N-O 3.34Å; C367-I372 PolarHBondContact O-N 3.38Å; C367-V374 HydrophobicContact CB-CG1 4.09Å; C367-V374 HydrophobicContact CB-CG2 4.37Å; C367-H390 PolarHBondContact SG-ND1 2.87Å; C367-H393 WeakPolarHBondContact SG-CB 3.34Å; C367-I395 HydrophobicContact CB-CD1 3.78Å
368	V	83.6	Confident	81.5	Confident	36 Å²	36	55 Å²	55	22%	0.218	29%	0.289	C	S	.	.	S	Bend	trans	-68.5	-49.1	179.9	-177.1	0	0	0	0	110	Y366 C370 H371 E394 L396	Y366-V368 HydrophobicContact CD1-CG2 4.35Å; V368-C370 PolarHBondContact O-N 2.93Å; V368-H371 PolarHBondContact O-N 3.15Å; V368-H371 PolarHBondContact O-ND1 3.16Å; V368-E394 HydrophobicContact CB-CB 4.13Å; V368-E394 HydrophobicContact CB-CG 4.28Å; V368-E394 HydrophobicContact CG2-CB 4.29Å; V368-E394 HydrophobicContact CG2-CG 3.94Å; V368-E394 PolarHBondContact N-O 2.66Å; V368-L396 HydrophobicContact CG2-CB 4.47Å; V368-L396 HydrophobicContact CG2-CD1 3.59Å; V368-L396 HydrophobicContact CG2-CG 3.77Å
369	N	82	Confident	81.6	Confident	85 Å²	85	56.1 Å²	56.1	46%	0.455	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-46.9	179.9	-55.4	84.5	0	0	0	113.1	H371 H393 E394	N369-H371 VanDerWaalsContact C-N 3.33Å; N369-H393 HydrophobicContact CB-CB 4.25Å; N369-E394 PolarHBondContact OD1-N 3.48Å
370	C	71.5	Confident	81.5	Confident	20 Å²	20	54.9 Å²	54.9	14%	0.135	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	1	-179.1	-51.7	0	0	0	0	113.5	C367 V368 I372 H393	C367-C370 HydrophobicContact CB-CB 4.15Å; C367-C370 PolarHBondContact SG-N 3.14Å; C367-C370 VanDerWaalsContact SG-N 3.45Å; V368-C370 PolarHBondContact O-N 2.93Å; C370-I372 HydrophobicContact CB-CD1 4.28Å; C370-I372 HydrophobicContact CB-CG1 3.81Å; C370-I372 PolarHBondContact O-N 2.95Å; C370-H393 VanDerWaalsContact SG-CE1 3.56Å; C370-H393 PolarHBondContact SG-ND1 3.29Å
371	H	77.9	Confident	80.7	Confident	79 Å²	79	50.3 Å²	50.3	37%	0.366	27%	0.271	S	S	.	.			trans	52.9	14.3	-177.8	-72.9	-65.3	0	0	0	117.9	Y366 C367 V368 N369	Y366-H371 VanDerWaalsContact CE2-C 3.5Å; Y366-H371 WeakPolarHBondContact CE2-O 3.48Å; Y366-H371 VanDerWaalsContact CZ-C 3.49Å; Y366-H371 VanDerWaalsContact CZ-O 3.29Å; Y366-H371 VanDerWaalsContact OH-C 3.27Å; Y366-H371 VanDerWaalsContact OH-CA 3.24Å; Y366-H371 WeakPolarHBondContact OH-CA 3.46Å; Y366-H371 PolarHBondContact OH-ND1 2.91Å; Y366-H371 PolarHBondContact OH-O 2.64Å; C367-H371 WeakPolarHBondContact O-CA 3.29Å; C367-H371 PolarHBondContact O-N 3.39Å; V368-H371 PolarHBondContact O-N 3.15Å; V368-H371 PolarHBondContact O-ND1 3.16Å; N369-H371 VanDerWaalsContact C-N 3.33Å
372	I	77.2	Confident	79.4	Confident	73 Å²	73	54 Å²	54	37%	0.374	29%	0.292	S	S	.	.	S	Bend	trans	-113.5	151.5	-174.3	54.6	170.2	0	0	0	114.1	C367 C370 V374	C367-I372 PolarHBondContact N-O 3.34Å; C367-I372 PolarHBondContact O-N 3.38Å; C370-I372 HydrophobicContact CB-CD1 4.28Å; C370-I372 HydrophobicContact CB-CG1 3.81Å; C370-I372 PolarHBondContact O-N 2.95Å; I372-V374 HydrophobicContact CD1-CG1 4.34Å; I372-V374 HydrophobicContact CG1-CG1 4.15Å
373	P	84.2	Confident	77.4	Confident	50 Å²	50	56.7 Å²	56.7	33%	0.325	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	129.7	170.2	31.9	-34.7	0	0	0	111	P363 L365 L398	P363-P373 HydrophobicContact CB-CB 3.99Å; P363-P373 HydrophobicContact CG-CB 3.93Å; P363-P373 HydrophobicContact CG-CG 4.47Å; L365-P373 CarbonylContact O-C 3.37Å; L365-P373 WeakPolarHBondContact O-CA 3.31Å; P373-L398 HydrophobicContact CB-CD1 3.92Å; P373-L398 HydrophobicContact CB-CD2 3.95Å
374	V	83.3	Confident	75.5	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.012	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	156.8	-176.5	-61.8	0	0	0	0	111.2	P363 N364 L365 C367 I372 C378 I395	P363-V374 WeakPolarHBondContact CA-O 3.29Å; P363-V374 VanDerWaalsContact CB-C 3.46Å; P363-V374 VanDerWaalsContact CB-O 3.22Å; P363-V374 WeakPolarHBondContact CB-O 3.48Å; N364-V374 PolarHBondContact N-O 3.02Å; L365-V374 CarbonylContact C-O 3.57Å; L365-V374 HydrophobicContact CB-CG2 3.9Å; L365-V374 PolarHBondContact N-O 2.78Å; L365-V374 PolarHBondContact O-N 3.08Å; L365-V374 VanDerWaalsContact O-O 3.1Å; C367-V374 HydrophobicContact CB-CG1 4.09Å; C367-V374 HydrophobicContact CB-CG2 4.37Å; I372-V374 HydrophobicContact CD1-CG1 4.34Å; I372-V374 HydrophobicContact CG1-CG1 4.15Å; V374-C378 HydrophobicContact CB-CB 3.91Å; V374-C378 HydrophobicContact CG1-CB 4.3Å; V374-I395 HydrophobicContact CG2-CD1 4.45Å; V374-I395 HydrophobicContact CG2-CG2 4.39Å
375	C	86.2	Confident	73.5	Confident	1 Å²	1	65 Å²	65	1%	0.007	35%	0.349	C	S	.	.			trans	-103.6	172.7	170.5	67.9	0	0	0	0	110.8	C355 H358 I361 E377 C378	C355-C375 HydrophobicContact CB-CB 4.35Å; H358-C375 PolarHBondContact ND1-SG 2.7Å; H358-C375 VanDerWaalsContact ND1-SG 3.44Å; I361-C375 HydrophobicContact CB-CB 4.33Å; I361-C375 HydrophobicContact CG2-CB 3.55Å; C375-E377 PolarHBondContact O-N 2.8Å; C375-C378 WeakPolarHBondContact O-CB 3.37Å; C375-C378 PolarHBondContact O-N 3.02Å; C375-C378 VanDerWaalsContact SG-SG 3.7Å
376	N	84.2	Confident	71.3	Confident	92 Å²	92	67 Å²	67	49%	0.492	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-34.8	177.8	-61.2	-8.3	0	0	0	112.7	N364 L365 C378 I379 S380	N364-N376 PolarHBondContact ND2-OD1 3.07Å; N364-N376 PolarHBondContact OD1-OD1 2.68Å; L365-N376 WeakPolarHBondContact CD1-OD1 3.27Å; N376-C378 PolarHBondContact O-N 3.3Å; N376-I379 WeakPolarHBondContact O-CB 3.25Å; N376-I379 PolarHBondContact O-N 3.3Å; N376-I379 VanDerWaalsContact O-N 3.15Å; N376-S380 PolarHBondContact O-N 3Å; N376-S380 PolarHBondContact O-OG 3.04Å; N376-S380 VanDerWaalsContact O-OG 3.11Å
377	E	81.7	Confident	69.2	Low	81 Å²	81	72.8 Å²	72.8	38%	0.379	39%	0.388	S	S	.	.	H	α-helix	trans	-68.4	-31.8	-178.9	-65.3	-173.8	-177.8	0	0	113.3	H358 I361 C375 I379 S380 N381	H358-E377 IonicContact CD2-OE2 2.83Å; H358-E377 PolarHBondContact CD2-OE2 3.46Å; H358-E377 IonicContact CG-OE2 3.72Å; H358-E377 IonicContact NE2-OE2 3.32Å; I361-E377 HydrophobicContact CD1-CG 3.91Å; I361-E377 VanDerWaalsContact CD1-OE1 3.28Å; I361-E377 WeakPolarHBondContact CD1-OE1 3.4Å; I361-E377 WeakPolarHBondContact CD1-OE2 3.36Å; C375-E377 PolarHBondContact O-N 2.8Å; E377-I379 PolarHBondContact O-N 3.19Å; E377-I379 VanDerWaalsContact O-N 3.09Å; E377-S380 PolarHBondContact O-N 2.89Å; E377-S380 VanDerWaalsContact O-N 3.08Å; E377-N381 PolarHBondContact O-N 2.94Å
378	C	78.6	Confident	67.6	Low	10 Å²	10	78.9 Å²	78.9	7%	0.068	42%	0.417	C	S	.	.	H	α-helix	trans	-60	-18.5	172.1	-64.8	0	0	0	0	114	C355 H358 V374 C375 N376 H390	C355-C378 PolarHBondContact SG-SG 2.81Å; H358-C378 PolarHBondContact ND1-SG 3.39Å; V374-C378 HydrophobicContact CB-CB 3.91Å; V374-C378 HydrophobicContact CG1-CB 4.3Å; C375-C378 WeakPolarHBondContact O-CB 3.37Å; C375-C378 PolarHBondContact O-N 3.02Å; C375-C378 VanDerWaalsContact SG-SG 3.7Å; N376-C378 PolarHBondContact O-N 3.3Å; C378-H390 WeakPolarHBondContact O-CB 3.31Å; C378-H390 PolarHBondContact O-CD2 3.5Å; C378-H390 PolarHBondContact O-N 2.92Å
379	I	78.7	Confident	66.4	Low	53 Å²	53	78.6 Å²	78.6	27%	0.272	42%	0.415	S	S	.	.	H	α-helix	trans	-98.4	-27.4	179.5	-52.3	169.1	0	0	0	110.1	L365 N376 E377 H390 I395	L365-I379 HydrophobicContact CD1-CD1 3.5Å; N376-I379 WeakPolarHBondContact O-CB 3.25Å; N376-I379 PolarHBondContact O-N 3.3Å; N376-I379 VanDerWaalsContact O-N 3.15Å; E377-I379 PolarHBondContact O-N 3.19Å; E377-I379 VanDerWaalsContact O-N 3.09Å; I379-H390 HydrophobicContact CG1-CB 4.32Å; I379-I395 HydrophobicContact CD1-CG1 4.15Å; I379-I395 HydrophobicContact CD1-CG2 4.01Å
380	S	70	Confident	66.1	Low	90 Å²	90	75.7 Å²	75.7	63%	0.629	40%	0.399	S	S	*	.	H	α-helix	trans	-100	-24.7	-169.9	-55	0	0	0	0	115.7	N376 E377	N376-S380 PolarHBondContact O-N 3Å; N376-S380 PolarHBondContact O-OG 3.04Å; N376-S380 VanDerWaalsContact O-OG 3.11Å; E377-S380 PolarHBondContact O-N 2.89Å; E377-S380 VanDerWaalsContact O-N 3.08Å
381	N	58.2	Low	66	Low	72 Å²	72	78.1 Å²	78.1	39%	0.385	42%	0.416	S	S	.	.			trans	-109.2	110.9	-171.6	-78.3	-26.6	0	0	0	113.1	E377 N383 T389	E377-N381 PolarHBondContact O-N 2.94Å; N381-N383 PolarHBondContact O-N 2.86Å; N381-T389 VanDerWaalsContact C-CG2 3.5Å; N381-T389 WeakPolarHBondContact O-CG2 3.25Å
382	D	53.7	Low	66	Low	130 Å²	130	83.5 Å²	83.5	70%	0.695	44%	0.438	S	S	*	.	S	Bend	trans	-69	-13.1	162.4	-74.3	-44.1	0	0	0	112.7	S384 T389	D382-S384 PolarHBondContact O-N 3.44Å; D382-T389 HydrophobicContact CB-CG2 4.33Å; D382-T389 WeakPolarHBondContact OD1-CG2 3.26Å; D382-T389 PolarHBondContact OD1-OG1 3.49Å; D382-T389 VanDerWaalsContact OD1-OG1 3.06Å
383	N	40.9	Very low	66.2	Low	158 Å²	158	83 Å²	83	85%	0.845	43%	0.434	S	S	*	.			trans	-94.5	60.4	-171.5	-74.9	-28.3	0	0	0	113.9	N381	N381-N383 PolarHBondContact O-N 2.86Å
384	S	43.7	Very low	66.3	Low	52 Å²	52	85.6 Å²	85.6	36%	0.364	44%	0.442	S	S	.	.	S	Bend	trans	-130.2	147.6	160.4	78.5	0	0	0	0	110.1	D382 T386	D382-S384 PolarHBondContact O-N 3.44Å; S384-T386 PolarHBondContact O-N 2.88Å; S384-T386 PolarHBondContact OG-OG1 3.21Å
385	Q	45.1	Very low	66.6	Low	209 Å²	209	87.7 Å²	87.7	98%	0.977	45%	0.453	S	S	*	.	S	Bend	trans	-79.4	29	-173.5	-67.7	179.1	-25.6	0	0	113.6
386	T	44.3	Very low	66.8	Low	74 Å²	74	90.7 Å²	90.7	45%	0.454	47%	0.468	S	S	.	.	S	Bend	trans	-132.1	133.7	174.7	47.3	0	0	0	0	107.3	S384	S384-T386 PolarHBondContact O-N 2.88Å; S384-T386 PolarHBondContact OG-OG1 3.21Å
387	F	42.7	Very low	67.2	Low	161 Å²	161	90.4 Å²	90.4	71%	0.706	47%	0.472	S	S	*	.	S	Bend	trans	-58.3	159.2	-166.1	-102.8	-125.1	0	0	0	114.7	T181	T181-F387 HydrophobicContact CG2-CB 3.59Å; T181-F387 WeakPolarHBondContact CG2-O 3.36Å
388	E	51.3	Low	67.5	Low	128 Å²	128	88.6 Å²	88.6	60%	0.598	47%	0.465	S	S	*	.			trans	60.9	116.3	162.6	-65.1	177.6	154.8	0	0	118.7	T181	T181-E388 HydrophobicContact CG2-CB 4.38Å; T181-E388 PolarHBondContact OG1-OE2 3.36Å
389	T	60.3	Low	67.9	Low	30 Å²	30	95.1 Å²	95.1	18%	0.184	50%	0.497	C	S	.	.			trans	-74.4	142.9	169.2	42.8	0	0	0	0	112.3	N381 D382 S391	N381-T389 VanDerWaalsContact C-CG2 3.5Å; N381-T389 WeakPolarHBondContact O-CG2 3.25Å; D382-T389 HydrophobicContact CB-CG2 4.33Å; D382-T389 WeakPolarHBondContact OD1-CG2 3.26Å; D382-T389 PolarHBondContact OD1-OG1 3.49Å; D382-T389 VanDerWaalsContact OD1-OG1 3.06Å; T389-S391 PolarHBondContact O-N 3.29Å; T389-S391 PolarHBondContact OG1-OG 2.87Å
390	H	73.8	Confident	68.3	Low	25 Å²	25	94.6 Å²	94.6	12%	0.116	51%	0.505	C	S	.	.	G	3₁₀ helix	trans	-71.4	14.8	174	-68	-94.6	0	0	0	113.8	C367 C378 I379 K392 H393 I395	C367-H390 PolarHBondContact SG-ND1 2.87Å; C378-H390 WeakPolarHBondContact O-CB 3.31Å; C378-H390 PolarHBondContact O-CD2 3.5Å; C378-H390 PolarHBondContact O-N 2.92Å; I379-H390 HydrophobicContact CG1-CB 4.32Å; H390-K392 PolarHBondContact O-N 2.93Å; H390-H393 AromaticContact ND1-ND1 3.66Å; H390-H393 PolarHBondContact O-N 3.26Å; H390-I395 HydrophobicContact CB-CD1 4.16Å
391	S	70.9	Confident	69.2	Low	71 Å²	71	91.3 Å²	91.3	50%	0.497	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-62.2	-21.5	-175.6	57.4	0	0	0	0	114.5	T389	T389-S391 PolarHBondContact O-N 3.29Å; T389-S391 PolarHBondContact OG1-OG 2.87Å
392	K	76.3	Confident	70.5	Confident	191 Å²	191	90.5 Å²	90.5	83%	0.83	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-111.3	1.1	179.9	-62.6	178.3	-175.2	170.1	0	114.4	H390	H390-K392 PolarHBondContact O-N 2.93Å
393	H	82.4	Confident	72.2	Confident	62 Å²	62	91.8 Å²	91.8	29%	0.287	48%	0.48	S	S	.	.	S	Bend	trans	-94.1	154.9	-175.8	-64.9	145	0	0	0	112.2	C367 N369 C370 H390 I395	C367-H393 WeakPolarHBondContact SG-CB 3.34Å; N369-H393 HydrophobicContact CB-CB 4.25Å; C370-H393 VanDerWaalsContact SG-CE1 3.56Å; C370-H393 PolarHBondContact SG-ND1 3.29Å; H390-H393 AromaticContact ND1-ND1 3.66Å; H390-H393 PolarHBondContact O-N 3.26Å; H393-I395 HydrophobicContact CB-CD1 4.11Å; H393-I395 WeakPolarHBondContact O-CG1 3.5Å; H393-I395 PolarHBondContact O-N 3.06Å
394	E	87.2	Confident	74.5	Confident	105 Å²	105	87.8 Å²	87.8	49%	0.491	46%	0.464	S	S	.	.			trans	-70	116.2	170.9	-176.5	-169.7	171.7	0	0	109.1	V368 N369 L396	V368-E394 HydrophobicContact CB-CB 4.13Å; V368-E394 HydrophobicContact CB-CG 4.28Å; V368-E394 HydrophobicContact CG2-CB 4.29Å; V368-E394 HydrophobicContact CG2-CG 3.94Å; V368-E394 PolarHBondContact N-O 2.66Å; N369-E394 PolarHBondContact OD1-N 3.48Å; E394-L396 HydrophobicContact CG-CG 4.45Å
395	I	88.3	Confident	76.5	Confident	46 Å²	46	91.8 Å²	91.8	24%	0.236	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	124.3	-179.7	-49.8	-54.4	0	0	0	110.1	L365 Y366 C367 V374 I379 H390 H393	L365-I395 HydrophobicContact CB-CG2 3.64Å; L365-I395 HydrophobicContact CD1-CG2 3.92Å; L365-I395 HydrophobicContact CD2-CG2 4.29Å; L365-I395 HydrophobicContact CG-CG2 4.15Å; Y366-I395 WeakPolarHBondContact O-CA 3.26Å; C367-I395 HydrophobicContact CB-CD1 3.78Å; V374-I395 HydrophobicContact CG2-CD1 4.45Å; V374-I395 HydrophobicContact CG2-CG2 4.39Å; I379-I395 HydrophobicContact CD1-CG1 4.15Å; I379-I395 HydrophobicContact CD1-CG2 4.01Å; H390-I395 HydrophobicContact CB-CD1 4.16Å; H393-I395 HydrophobicContact CB-CD1 4.11Å; H393-I395 WeakPolarHBondContact O-CG1 3.5Å; H393-I395 PolarHBondContact O-N 3.06Å
396	L	90.8	Very high	78.4	Confident	64 Å²	64	88.1 Å²	88.1	34%	0.335	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	155.1	179	-62.3	-179.9	0	0	0	111.6	L365 Y366 V368 E394 L398 V401	L365-L396 CarbonylContact C-O 3.53Å; L365-L396 WeakPolarHBondContact CA-O 3.39Å; Y366-L396 PolarHBondContact N-O 3.24Å; Y366-L396 PolarHBondContact O-N 2.83Å; V368-L396 HydrophobicContact CG2-CB 4.47Å; V368-L396 HydrophobicContact CG2-CD1 3.59Å; V368-L396 HydrophobicContact CG2-CG 3.77Å; E394-L396 HydrophobicContact CG-CG 4.45Å; L396-L398 PolarHBondContact O-N 3.04Å; L396-V401 HydrophobicContact CB-CG2 3.56Å; L396-V401 HydrophobicContact CD1-CG2 3.95Å; L396-V401 HydrophobicContact CG-CG2 4.42Å
397	P	92.4	Very high	80.6	Confident	86 Å²	86	88 Å²	88	56%	0.558	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.5	123.9	174.5	-23.7	34.7	0	0	0	112.2	I399 G400 V401	P397-I399 VanDerWaalsContact C-N 3.28Å; P397-I399 PolarHBondContact O-N 3.31Å; P397-G400 WeakPolarHBondContact O-CA 3.38Å; P397-G400 PolarHBondContact O-N 3.45Å; P397-V401 PolarHBondContact O-N 2.93Å; P397-V401 VanDerWaalsContact O-N 3.16Å
398	L	88.1	Confident	82.8	Confident	44 Å²	44	84.3 Å²	84.3	23%	0.23	44%	0.436	C	S	.	.	H	α-helix	trans	-57.2	-39.9	-170.6	-179	61.3	0	0	0	113	P363 N364 Y366 P373 L396 G400 C402	P363-L398 VanDerWaalsContact O-CD2 3.24Å; P363-L398 WeakPolarHBondContact O-CD2 3.43Å; N364-L398 WeakPolarHBondContact O-CB 3.29Å; N364-L398 PolarHBondContact O-N 3.45Å; Y366-L398 HydrophobicContact CD2-CD1 3.83Å; Y366-L398 HydrophobicContact CG-CD1 4.26Å; P373-L398 HydrophobicContact CB-CD1 3.92Å; P373-L398 HydrophobicContact CB-CD2 3.95Å; L396-L398 PolarHBondContact O-N 3.04Å; L398-G400 VanDerWaalsContact C-N 3.31Å; L398-G400 PolarHBondContact O-N 3.01Å; L398-C402 WeakPolarHBondContact O-CB 3.49Å; L398-C402 PolarHBondContact O-N 3.29Å
399	I	87	Confident	84.5	Confident	147 Å²	147	83.2 Å²	83.2	75%	0.754	43%	0.434	S	S	*	.	H	α-helix	trans	-65.7	-35.4	178.7	-59.5	175.3	0	0	0	111.1	P397 K403	P397-I399 VanDerWaalsContact C-N 3.28Å; P397-I399 PolarHBondContact O-N 3.31Å; I399-K403 WeakPolarHBondContact O-CB 3.34Å; I399-K403 PolarHBondContact O-N 3.4Å
400	G	86.9	Confident	85.8	Confident	42 Å²	42	85.1 Å²	85.1	43%	0.433	45%	0.448	S	S	.	.	H	α-helix	trans	-67.1	-50.3	177.2	0	0	0	0	0	112	P397 L398 C402 K403 S404	P397-G400 WeakPolarHBondContact O-CA 3.38Å; P397-G400 PolarHBondContact O-N 3.45Å; L398-G400 VanDerWaalsContact C-N 3.31Å; L398-G400 PolarHBondContact O-N 3.01Å; G400-C402 VanDerWaalsContact C-N 3.35Å; G400-C402 PolarHBondContact O-N 3.11Å; G400-K403 PolarHBondContact O-N 3.1Å; G400-S404 PolarHBondContact O-N 3.01Å
401	V	88.4	Confident	86.6	Confident	21 Å²	21	90 Å²	90	13%	0.127	47%	0.471	C	S	.	.	H	α-helix	trans	-60.8	-45.1	176.1	-176.8	0	0	0	0	110.9	Y366 L396 P397 K403 S404 R405	Y366-V401 HydrophobicContact CD1-CB 4.27Å; Y366-V401 HydrophobicContact CD1-CG1 3.81Å; Y366-V401 HydrophobicContact CD1-CG2 4.01Å; Y366-V401 HydrophobicContact CE1-CG1 3.95Å; Y366-V401 HydrophobicContact CG-CB 4.41Å; Y366-V401 HydrophobicContact CG-CG1 4.26Å; Y366-V401 HydrophobicContact CG-CG2 4.33Å; L396-V401 HydrophobicContact CB-CG2 3.56Å; L396-V401 HydrophobicContact CD1-CG2 3.95Å; L396-V401 HydrophobicContact CG-CG2 4.42Å; P397-V401 PolarHBondContact O-N 2.93Å; P397-V401 VanDerWaalsContact O-N 3.16Å; V401-K403 VanDerWaalsContact C-N 3.32Å; V401-K403 PolarHBondContact O-N 3.41Å; V401-S404 PolarHBondContact O-N 3.21Å; V401-R405 HydrophobicContact CG1-CG 4.2Å; V401-R405 PolarHBondContact O-N 2.95Å
402	C	86.8	Confident	87.5	Confident	55 Å²	55	90 Å²	90	37%	0.372	47%	0.472	S	S	.	.	H	α-helix	trans	-58.8	-40.2	176.5	179.9	0	0	0	0	112.5	L398 G400 K406	L398-C402 WeakPolarHBondContact O-CB 3.49Å; L398-C402 PolarHBondContact O-N 3.29Å; G400-C402 VanDerWaalsContact C-N 3.35Å; G400-C402 PolarHBondContact O-N 3.11Å; C402-K406 WeakPolarHBondContact O-CB 3.4Å; C402-K406 WeakPolarHBondContact O-CD 3.38Å; C402-K406 VanDerWaalsContact O-CG 3.22Å; C402-K406 WeakPolarHBondContact O-CG 3.21Å; C402-K406 PolarHBondContact O-N 3.5Å; C402-K406 PolarHBondContact SG-NZ 3.47Å
403	K	87.6	Confident	88.1	Confident	156 Å²	156	85.2 Å²	85.2	68%	0.678	46%	0.455	S	S	*	.	H	α-helix	trans	-66.8	-45.7	174.3	-174.2	178.7	177.8	-175.7	0	111.5	I399 G400 V401 K406 T407	I399-K403 WeakPolarHBondContact O-CB 3.34Å; I399-K403 PolarHBondContact O-N 3.4Å; G400-K403 PolarHBondContact O-N 3.1Å; V401-K403 VanDerWaalsContact C-N 3.32Å; V401-K403 PolarHBondContact O-N 3.41Å; K403-K406 PolarHBondContact O-N 2.98Å; K403-T407 PolarHBondContact O-N 3.07Å; K403-T407 VanDerWaalsContact O-N 3.14Å; K403-T407 PolarHBondContact O-OG1 3.46Å
404	S	89.4	Confident	88.5	Confident	75 Å²	75	89.1 Å²	89.1	52%	0.524	47%	0.473	S	S	.	.	H	α-helix	trans	-59.3	-55.6	179.7	-171.3	0	0	0	0	112.2	G400 V401 K406 T407 E408	G400-S404 PolarHBondContact O-N 3.01Å; V401-S404 PolarHBondContact O-N 3.21Å; S404-K406 VanDerWaalsContact C-N 3.26Å; S404-K406 PolarHBondContact O-N 2.87Å; S404-T407 WeakPolarHBondContact O-CB 3.35Å; S404-T407 PolarHBondContact O-N 3.12Å; S404-E408 PolarHBondContact O-N 3.33Å
405	R	87	Confident	88.6	Confident	136 Å²	136	86.3 Å²	86.3	51%	0.513	47%	0.467	S	S	.	.	H	α-helix	trans	-61.7	-30.4	-179.9	-65.6	-55.9	-165.9	177.2	1.5	113.1	V401 E408 L409	V401-R405 HydrophobicContact CG1-CG 4.2Å; V401-R405 PolarHBondContact O-N 2.95Å; R405-E408 WeakPolarHBondContact CD-OE2 3.27Å; R405-E408 IonicContact CZ-OE2 2.69Å; R405-E408 IonicContact NE-OE2 3.15Å; R405-E408 VanDerWaalsContact NH1-CD 3.26Å; R405-E408 IonicContact NH1-OE1 3.88Å; R405-E408 PolarHBondContact NH1-OE1 3.09Å; R405-E408 IonicContact NH1-OE2 3.78Å; R405-E408 PolarHBondContact NH1-OE2 2.64Å; R405-L409 WeakPolarHBondContact O-CB 3.47Å; R405-L409 PolarHBondContact O-N 2.95Å
406	K	84.9	Confident	88.7	Confident	132 Å²	132	89.3 Å²	89.3	57%	0.574	48%	0.483	S	S	*	.	H	α-helix	trans	-68.3	-39.4	172.4	-79.8	171.7	178.8	169.3	0	112.7	C402 K403 S404 S410	C402-K406 WeakPolarHBondContact O-CB 3.4Å; C402-K406 WeakPolarHBondContact O-CD 3.38Å; C402-K406 VanDerWaalsContact O-CG 3.22Å; C402-K406 WeakPolarHBondContact O-CG 3.21Å; C402-K406 PolarHBondContact O-N 3.5Å; C402-K406 PolarHBondContact SG-NZ 3.47Å; K403-K406 PolarHBondContact O-N 2.98Å; S404-K406 VanDerWaalsContact C-N 3.26Å; S404-K406 PolarHBondContact O-N 2.87Å; K406-S410 WeakPolarHBondContact O-CB 3.26Å; K406-S410 PolarHBondContact O-N 2.98Å; K406-S410 PolarHBondContact O-OG 2.83Å
407	T	90.1	Very high	88.6	Confident	71 Å²	71	89.5 Å²	89.5	44%	0.436	49%	0.49	S	S	.	.	H	α-helix	trans	-66	-46.1	174.6	-63.4	0	0	0	0	111.2	K403 S404 S410 Q411	K403-T407 PolarHBondContact O-N 3.07Å; K403-T407 VanDerWaalsContact O-N 3.14Å; K403-T407 PolarHBondContact O-OG1 3.46Å; S404-T407 WeakPolarHBondContact O-CB 3.35Å; S404-T407 PolarHBondContact O-N 3.12Å; T407-S410 WeakPolarHBondContact O-CB 3.18Å; T407-S410 PolarHBondContact O-N 3.04Å; T407-Q411 WeakPolarHBondContact O-CG 3.39Å; T407-Q411 PolarHBondContact O-N 3.34Å
408	E	88.8	Confident	88.6	Confident	84 Å²	84	89.8 Å²	89.8	39%	0.393	48%	0.484	S	S	.	.	H	α-helix	trans	-56.1	-53.5	176.1	-176.9	-177.5	-160.1	0	0	111.7	S404 R405 S410 Q411 S412	S404-E408 PolarHBondContact O-N 3.33Å; R405-E408 WeakPolarHBondContact CD-OE2 3.27Å; R405-E408 IonicContact CZ-OE2 2.69Å; R405-E408 IonicContact NE-OE2 3.15Å; R405-E408 VanDerWaalsContact NH1-CD 3.26Å; R405-E408 IonicContact NH1-OE1 3.88Å; R405-E408 PolarHBondContact NH1-OE1 3.09Å; R405-E408 IonicContact NH1-OE2 3.78Å; R405-E408 PolarHBondContact NH1-OE2 2.64Å; E408-S410 VanDerWaalsContact C-N 3.27Å; E408-S410 PolarHBondContact O-N 2.93Å; E408-Q411 WeakPolarHBondContact O-CB 3.43Å; E408-Q411 PolarHBondContact O-N 3.17Å; E408-Q411 VanDerWaalsContact O-N 3.1Å; E408-S412 PolarHBondContact O-N 2.9Å; E408-S412 PolarHBondContact O-OG 3Å
409	L	86.1	Confident	88.8	Confident	104 Å²	104	96.4 Å²	96.4	55%	0.545	51%	0.506	S	S	.	.	H	α-helix	trans	-57.4	-38.7	175.6	178.4	61	0	0	0	112.4	R405 S412 L413	R405-L409 WeakPolarHBondContact O-CB 3.47Å; R405-L409 PolarHBondContact O-N 2.95Å; L409-S412 PolarHBondContact O-N 2.84Å; L409-L413 HydrophobicContact CD1-CD1 4.28Å; L409-L413 HydrophobicContact CD1-CG 4.26Å; L409-L413 HydrophobicContact CG-CD1 4.05Å; L409-L413 HydrophobicContact CG-CG 4.48Å; L409-L413 WeakPolarHBondContact O-CB 3.41Å; L409-L413 VanDerWaalsContact O-CG 3.28Å; L409-L413 WeakPolarHBondContact O-CG 3.48Å; L409-L413 PolarHBondContact O-N 2.93Å
410	S	89.3	Confident	88.9	Confident	70 Å²	70	92 Å²	92	49%	0.49	49%	0.491	S	S	.	.	H	α-helix	trans	-65.7	-38.3	178.3	-57.4	0	0	0	0	112.1	K406 T407 E408 L413 Q414	K406-S410 WeakPolarHBondContact O-CB 3.26Å; K406-S410 PolarHBondContact O-N 2.98Å; K406-S410 PolarHBondContact O-OG 2.83Å; T407-S410 WeakPolarHBondContact O-CB 3.18Å; T407-S410 PolarHBondContact O-N 3.04Å; E408-S410 VanDerWaalsContact C-N 3.27Å; E408-S410 PolarHBondContact O-N 2.93Å; S410-L413 PolarHBondContact O-N 3.34Å; S410-Q414 PolarHBondContact O-N 2.76Å
411	Q	90.9	Very high	89.1	Confident	127 Å²	127	95.9 Å²	95.9	59%	0.593	49%	0.493	S	S	*	.	H	α-helix	trans	-66.5	-43.6	174.7	-69.4	170.4	-6.6	0	0	111.3	T407 E408 L413 Q414 A415	T407-Q411 WeakPolarHBondContact O-CG 3.39Å; T407-Q411 PolarHBondContact O-N 3.34Å; E408-Q411 WeakPolarHBondContact O-CB 3.43Å; E408-Q411 PolarHBondContact O-N 3.17Å; E408-Q411 VanDerWaalsContact O-N 3.1Å; Q411-L413 PolarHBondContact O-N 3.13Å; Q411-Q414 PolarHBondContact O-N 3.24Å; Q411-A415 PolarHBondContact O-N 2.79Å
412	S	89.8	Confident	89.2	Confident	72 Å²	72	97.7 Å²	97.7	50%	0.503	51%	0.506	S	S	.	.	H	α-helix	trans	-60.7	-43.3	174.9	-52.7	0	0	0	0	112.3	E408 L409 Q414 A415 L416	E408-S412 PolarHBondContact O-N 2.9Å; E408-S412 PolarHBondContact O-OG 3Å; L409-S412 PolarHBondContact O-N 2.84Å; S412-Q414 PolarHBondContact O-N 2.84Å; S412-A415 PolarHBondContact O-N 3.01Å; S412-L416 WeakPolarHBondContact O-CB 3.3Å; S412-L416 PolarHBondContact O-N 3.49Å
413	L	88.4	Confident	89.3	Confident	91 Å²	91	97.5 Å²	97.5	48%	0.476	51%	0.509	S	S	.	.	H	α-helix	trans	-64	-38.1	176.4	-73.8	169.8	0	0	0	112.4	L409 S410 Q411 L416 S417	L409-L413 HydrophobicContact CD1-CD1 4.28Å; L409-L413 HydrophobicContact CD1-CG 4.26Å; L409-L413 HydrophobicContact CG-CD1 4.05Å; L409-L413 HydrophobicContact CG-CG 4.48Å; L409-L413 WeakPolarHBondContact O-CB 3.41Å; L409-L413 VanDerWaalsContact O-CG 3.28Å; L409-L413 WeakPolarHBondContact O-CG 3.48Å; L409-L413 PolarHBondContact O-N 2.93Å; S410-L413 PolarHBondContact O-N 3.34Å; Q411-L413 PolarHBondContact O-N 3.13Å; L413-L416 PolarHBondContact O-N 3.31Å; L413-S417 WeakPolarHBondContact O-CB 3.01Å; L413-S417 PolarHBondContact O-N 2.66Å; L413-S417 PolarHBondContact O-OG 3.39Å
414	Q	90.9	Very high	89.5	Confident	144 Å²	144	93.8 Å²	93.8	67%	0.673	50%	0.499	S	S	*	.	H	α-helix	trans	-67	-43.1	176.2	-173.2	169.1	-8.6	0	0	111.5	S410 Q411 S412 L416 S417 E418	S410-Q414 PolarHBondContact O-N 2.76Å; Q411-Q414 PolarHBondContact O-N 3.24Å; S412-Q414 PolarHBondContact O-N 2.84Å; Q414-L416 PolarHBondContact O-N 3.49Å; Q414-S417 PolarHBondContact O-N 2.99Å; Q414-E418 PolarHBondContact O-N 3.42Å
415	A	89.3	Confident	89.6	Confident	45 Å²	45	94.3 Å²	94.3	37%	0.372	49%	0.494	S	S	.	.	H	α-helix	trans	-63.7	-37.8	175.4	0	0	0	0	0	112.8	Q411 S412 R419	Q411-A415 PolarHBondContact O-N 2.79Å; S412-A415 PolarHBondContact O-N 3.01Å; A415-R419 WeakPolarHBondContact O-CG 3.47Å; A415-R419 PolarHBondContact O-N 2.98Å
416	L	89.1	Confident	89.7	Confident	109 Å²	109	92.2 Å²	92.2	57%	0.571	49%	0.49	S	S	*	.	H	α-helix	trans	-66.4	-41.9	173.2	-178.9	60.5	0	0	0	112	S412 L413 Q414 E418 R419 A420	S412-L416 WeakPolarHBondContact O-CB 3.3Å; S412-L416 PolarHBondContact O-N 3.49Å; L413-L416 PolarHBondContact O-N 3.31Å; Q414-L416 PolarHBondContact O-N 3.49Å; L416-E418 VanDerWaalsContact C-N 3.31Å; L416-E418 PolarHBondContact O-N 3.4Å; L416-R419 PolarHBondContact O-N 2.98Å; L416-A420 WeakPolarHBondContact O-CB 3.34Å; L416-A420 PolarHBondContact O-N 2.92Å
417	S	90.2	Very high	90.1	Very high	68 Å²	68	90 Å²	90	48%	0.476	48%	0.483	S	S	.	.	H	α-helix	trans	-62.8	-37.4	178.4	-59.5	0	0	0	0	112.4	L413 Q414 A420 R421	L413-S417 WeakPolarHBondContact O-CB 3.01Å; L413-S417 PolarHBondContact O-N 2.66Å; L413-S417 PolarHBondContact O-OG 3.39Å; Q414-S417 PolarHBondContact O-N 2.99Å; S417-A420 PolarHBondContact O-N 2.79Å; S417-R421 PolarHBondContact O-N 2.77Å
418	E	91.6	Very high	90.3	Very high	92 Å²	92	92.7 Å²	92.7	43%	0.43	49%	0.491	S	S	.	.	H	α-helix	trans	-67.3	-44.3	176.7	-161	56.2	-129.2	0	0	111.6	Q414 L416 A420 R421 S422	Q414-E418 PolarHBondContact O-N 3.42Å; L416-E418 VanDerWaalsContact C-N 3.31Å; L416-E418 PolarHBondContact O-N 3.4Å; E418-A420 VanDerWaalsContact C-N 3.33Å; E418-A420 PolarHBondContact O-N 2.85Å; E418-R421 PolarHBondContact O-N 2.89Å; E418-R421 IonicContact OE1-CZ 3.26Å; E418-R421 IonicContact OE1-NH1 2.83Å; E418-R421 PolarHBondContact OE1-NH1 3.16Å; E418-R421 IonicContact OE2-CZ 3.02Å; E418-R421 IonicContact OE2-NH1 3.44Å; E418-R421 PolarHBondContact OE2-NH1 3.44Å; E418-R421 IonicContact OE2-NH2 3.14Å; E418-R421 PolarHBondContact OE2-NH2 2.85Å; E418-S422 PolarHBondContact O-N 2.93Å
419	R	92.2	Very high	90.6	Very high	184 Å²	184	95.3 Å²	95.3	69%	0.694	50%	0.497	S	S	*	.	H	α-helix	trans	-61	-40.5	174	-71	171.4	178.8	155.7	0.1	112.1	A415 L416 R421 S422 A423	A415-R419 WeakPolarHBondContact O-CG 3.47Å; A415-R419 PolarHBondContact O-N 2.98Å; L416-R419 PolarHBondContact O-N 2.98Å; R419-R421 PolarHBondContact O-N 3.45Å; R419-S422 PolarHBondContact O-N 3.1Å; R419-A423 WeakPolarHBondContact O-CB 3.38Å; R419-A423 PolarHBondContact O-N 2.98Å
420	A	88.7	Confident	90.7	Very high	54 Å²	54	94.9 Å²	94.9	45%	0.446	50%	0.495	S	S	.	.	H	α-helix	trans	-64.5	-36.8	176	0	0	0	0	0	112.7	L416 S417 E418 T424	L416-A420 WeakPolarHBondContact O-CB 3.34Å; L416-A420 PolarHBondContact O-N 2.92Å; S417-A420 PolarHBondContact O-N 2.79Å; E418-A420 VanDerWaalsContact C-N 3.33Å; E418-A420 PolarHBondContact O-N 2.85Å; A420-T424 PolarHBondContact O-N 3.04Å; A420-T424 VanDerWaalsContact O-N 3.13Å; A420-T424 PolarHBondContact O-OG1 2.86Å
421	R	91.3	Very high	90.9	Very high	123 Å²	123	99.5 Å²	99.5	46%	0.464	50%	0.502	S	S	.	.	H	α-helix	trans	-65.5	-50.4	172.9	-165.9	-171.4	-54.3	125.7	17.7	111.3	S417 E418 R419 A423 T424 E425	S417-R421 PolarHBondContact O-N 2.77Å; E418-R421 PolarHBondContact O-N 2.89Å; E418-R421 IonicContact OE1-CZ 3.26Å; E418-R421 IonicContact OE1-NH1 2.83Å; E418-R421 PolarHBondContact OE1-NH1 3.16Å; E418-R421 IonicContact OE2-CZ 3.02Å; E418-R421 IonicContact OE2-NH1 3.44Å; E418-R421 PolarHBondContact OE2-NH1 3.44Å; E418-R421 IonicContact OE2-NH2 3.14Å; E418-R421 PolarHBondContact OE2-NH2 2.85Å; R419-R421 PolarHBondContact O-N 3.45Å; R421-A423 VanDerWaalsContact C-N 3.29Å; R421-A423 PolarHBondContact O-N 3Å; R421-T424 WeakPolarHBondContact O-CA 3.46Å; R421-T424 VanDerWaalsContact O-CB 3.3Å; R421-T424 WeakPolarHBondContact O-CB 3.2Å; R421-T424 PolarHBondContact O-N 3.33Å; R421-E425 WeakPolarHBondContact CG-OE1 3.45Å; R421-E425 PolarHBondContact O-N 2.9Å
422	S	91.1	Very high	91	Very high	59 Å²	59	96.3 Å²	96.3	41%	0.413	49%	0.493	S	S	.	.	H	α-helix	trans	-60.2	-37.4	179.5	-166.1	0	0	0	0	112.7	E418 R419 E425 H426	E418-S422 PolarHBondContact O-N 2.93Å; R419-S422 PolarHBondContact O-N 3.1Å; S422-E425 PolarHBondContact O-N 2.82Å; S422-H426 WeakPolarHBondContact O-CB 3.45Å; S422-H426 PolarHBondContact O-N 2.85Å
423	A	87.9	Confident	91.1	Very high	52 Å²	52	100 Å²	100	43%	0.43	50%	0.5	S	S	.	.	H	α-helix	trans	-63.2	-40.1	171.6	0	0	0	0	0	112.4	R419 R421 H426 I427	R419-A423 WeakPolarHBondContact O-CB 3.38Å; R419-A423 PolarHBondContact O-N 2.98Å; R421-A423 VanDerWaalsContact C-N 3.29Å; R421-A423 PolarHBondContact O-N 3Å; A423-H426 PolarHBondContact O-N 3.12Å; A423-I427 WeakPolarHBondContact O-CG1 3.39Å; A423-I427 PolarHBondContact O-N 3.47Å
424	T	91.7	Very high	91.2	Very high	77 Å²	77	98.8 Å²	98.8	47%	0.472	50%	0.499	S	S	.	.	H	α-helix	trans	-64.1	-44	176	-54.9	0	0	0	0	111.6	A420 R421 H426 I427 Q428	A420-T424 PolarHBondContact O-N 3.04Å; A420-T424 VanDerWaalsContact O-N 3.13Å; A420-T424 PolarHBondContact O-OG1 2.86Å; R421-T424 WeakPolarHBondContact O-CA 3.46Å; R421-T424 VanDerWaalsContact O-CB 3.3Å; R421-T424 WeakPolarHBondContact O-CB 3.2Å; R421-T424 PolarHBondContact O-N 3.33Å; T424-H426 VanDerWaalsContact C-N 3.32Å; T424-H426 PolarHBondContact O-N 3.42Å; T424-I427 PolarHBondContact O-N 2.85Å; T424-Q428 WeakPolarHBondContact O-CG 3.25Å; T424-Q428 PolarHBondContact O-N 3.16Å
425	E	92.5	Very high	91.2	Very high	86 Å²	86	97.3 Å²	97.3	40%	0.402	49%	0.492	S	S	.	.	H	α-helix	trans	-65.3	-33.2	174.5	-67.2	164.9	-170.4	0	0	112.4	R421 S422 R429	R421-E425 WeakPolarHBondContact CG-OE1 3.45Å; R421-E425 PolarHBondContact O-N 2.9Å; S422-E425 PolarHBondContact O-N 2.82Å; E425-R429 WeakPolarHBondContact O-CG 3.28Å; E425-R429 PolarHBondContact O-N 3.3Å; E425-R429 VanDerWaalsContact O-N 3.08Å; E425-R429 PolarHBondContact O-NE 2.79Å
426	H	89.8	Confident	91.4	Very high	93 Å²	93	97.9 Å²	97.9	43%	0.431	49%	0.491	S	S	.	.	H	α-helix	trans	-67.4	-45.2	173.4	-168.7	85.3	0	0	0	111.4	S422 A423 T424 Q428 R429 L430	S422-H426 WeakPolarHBondContact O-CB 3.45Å; S422-H426 PolarHBondContact O-N 2.85Å; A423-H426 PolarHBondContact O-N 3.12Å; T424-H426 VanDerWaalsContact C-N 3.32Å; T424-H426 PolarHBondContact O-N 3.42Å; H426-Q428 VanDerWaalsContact C-N 3.3Å; H426-Q428 PolarHBondContact O-N 3Å; H426-R429 PolarHBondContact O-N 3.48Å; H426-R429 VanDerWaalsContact O-N 3.15Å; H426-L430 WeakPolarHBondContact O-CG 3.41Å; H426-L430 PolarHBondContact O-N 3Å
427	I	93.2	Very high	91.3	Very high	86 Å²	86	96.6 Å²	96.6	44%	0.441	49%	0.488	S	S	.	.	H	α-helix	trans	-59.1	-40.4	174.9	-68.6	163.8	0	0	0	111.2	A423 T424 L430 R431	A423-I427 WeakPolarHBondContact O-CG1 3.39Å; A423-I427 PolarHBondContact O-N 3.47Å; T424-I427 PolarHBondContact O-N 2.85Å; I427-L430 PolarHBondContact O-N 3.48Å; I427-R431 WeakPolarHBondContact O-CG 3.3Å; I427-R431 PolarHBondContact O-N 3.2Å; I427-R431 VanDerWaalsContact O-N 3.13Å
428	Q	93.6	Very high	91.2	Very high	126 Å²	126	98 Å²	98	59%	0.589	49%	0.49	S	S	*	.	H	α-helix	trans	-63.6	-43.2	174.9	-72.2	177.5	-5.9	0	0	112.4	T424 H426 L430 R431 S432	T424-Q428 WeakPolarHBondContact O-CG 3.25Å; T424-Q428 PolarHBondContact O-N 3.16Å; H426-Q428 VanDerWaalsContact C-N 3.3Å; H426-Q428 PolarHBondContact O-N 3Å; Q428-L430 VanDerWaalsContact C-N 3.33Å; Q428-L430 PolarHBondContact O-N 3.01Å; Q428-R431 PolarHBondContact O-N 3.25Å; Q428-S432 PolarHBondContact O-N 3.35Å; Q428-S432 VanDerWaalsContact O-N 3.15Å; Q428-S432 PolarHBondContact O-OG 3.26Å
429	R	94.1	Very high	91.2	Very high	139 Å²	139	99.3 Å²	99.3	53%	0.525	49%	0.491	S	S	.	.	H	α-helix	trans	-66	-30.8	175.7	-73.7	-179.8	-69	161.2	-4.7	113.7	E425 H426 S432 K433	E425-R429 WeakPolarHBondContact O-CG 3.28Å; E425-R429 PolarHBondContact O-N 3.3Å; E425-R429 VanDerWaalsContact O-N 3.08Å; E425-R429 PolarHBondContact O-NE 2.79Å; H426-R429 PolarHBondContact O-N 3.48Å; H426-R429 VanDerWaalsContact O-N 3.15Å; R429-S432 PolarHBondContact O-OG 2.95Å; R429-K433 WeakPolarHBondContact O-CG 3.42Å; R429-K433 PolarHBondContact O-N 3.09Å
430	L	89.8	Confident	91.1	Very high	96 Å²	96	94.9 Å²	94.9	50%	0.503	48%	0.481	S	S	.	.	H	α-helix	trans	-69.4	-40	173.2	-70.7	175.2	0	0	0	111.6	H426 I427 Q428 K433 S434	H426-L430 WeakPolarHBondContact O-CG 3.41Å; H426-L430 PolarHBondContact O-N 3Å; I427-L430 PolarHBondContact O-N 3.48Å; Q428-L430 VanDerWaalsContact C-N 3.33Å; Q428-L430 PolarHBondContact O-N 3.01Å; L430-K433 PolarHBondContact O-N 2.87Å; L430-S434 PolarHBondContact O-N 3.06Å
431	R	91.9	Very high	90.9	Very high	167 Å²	167	97.5 Å²	97.5	63%	0.63	49%	0.487	S	S	*	.	H	α-helix	trans	-62.8	-50	176.8	-71.2	175.3	-177.6	-168.3	-0.5	112.3	I427 Q428 K433 S434 E435	I427-R431 WeakPolarHBondContact O-CG 3.3Å; I427-R431 PolarHBondContact O-N 3.2Å; I427-R431 VanDerWaalsContact O-N 3.13Å; Q428-R431 PolarHBondContact O-N 3.25Å; R431-K433 VanDerWaalsContact C-N 3.28Å; R431-K433 PolarHBondContact O-N 3.3Å; R431-S434 WeakPolarHBondContact O-CB 3.32Å; R431-S434 PolarHBondContact O-N 3.22Å; R431-S434 VanDerWaalsContact O-N 3.09Å; R431-E435 WeakPolarHBondContact O-CG 3.23Å; R431-E435 PolarHBondContact O-N 3.43Å
432	S	93.4	Very high	90.8	Very high	60 Å²	60	94.1 Å²	94.1	42%	0.42	49%	0.485	S	S	.	.	H	α-helix	trans	-66	-28.7	179.8	61.5	0	0	0	0	113.6	Q428 R429 T436	Q428-S432 PolarHBondContact O-N 3.35Å; Q428-S432 VanDerWaalsContact O-N 3.15Å; Q428-S432 PolarHBondContact O-OG 3.26Å; R429-S432 PolarHBondContact O-OG 2.95Å; S432-T436 WeakPolarHBondContact O-CB 3.4Å; S432-T436 PolarHBondContact O-N 3.22Å; S432-T436 PolarHBondContact O-OG1 2.97Å
433	K	91.3	Very high	90.6	Very high	150 Å²	150	95.8 Å²	95.8	65%	0.652	49%	0.49	S	S	*	.	H	α-helix	trans	-65.5	-48.7	167.8	-81	-174.7	171	-166.2	0	112	R429 L430 R431 E435 T436 V437	R429-K433 WeakPolarHBondContact O-CG 3.42Å; R429-K433 PolarHBondContact O-N 3.09Å; L430-K433 PolarHBondContact O-N 2.87Å; R431-K433 VanDerWaalsContact C-N 3.28Å; R431-K433 PolarHBondContact O-N 3.3Å; K433-E435 PolarHBondContact O-N 3.08Å; K433-T436 PolarHBondContact O-N 2.87Å; K433-V437 PolarHBondContact O-N 3.13Å
434	S	91.1	Very high	90.3	Very high	64 Å²	64	97 Å²	97	45%	0.448	49%	0.494	S	S	.	.	H	α-helix	trans	-59.4	-45.7	177.6	178.2	0	0	0	0	112.2	L430 R431 T436 V437 N438	L430-S434 PolarHBondContact O-N 3.06Å; R431-S434 WeakPolarHBondContact O-CB 3.32Å; R431-S434 PolarHBondContact O-N 3.22Å; R431-S434 VanDerWaalsContact O-N 3.09Å; S434-T436 PolarHBondContact O-N 2.99Å; S434-V437 PolarHBondContact O-N 2.85Å; S434-N438 PolarHBondContact O-N 3.38Å; S434-N438 PolarHBondContact O-ND2 3.43Å
435	E	92.2	Very high	90	Very high	113 Å²	113	99.6 Å²	99.6	53%	0.528	50%	0.502	S	S	.	.	H	α-helix	trans	-58.4	-31	174	-71.4	167.6	-153.1	0	0	113	R431 K433 R439	R431-E435 WeakPolarHBondContact O-CG 3.23Å; R431-E435 PolarHBondContact O-N 3.43Å; K433-E435 PolarHBondContact O-N 3.08Å; E435-R439 WeakPolarHBondContact O-CB 3.17Å; E435-R439 PolarHBondContact O-N 2.81Å
436	T	91.9	Very high	89.8	Confident	58 Å²	58	101.8 Å²	101.8	36%	0.356	51%	0.51	S	S	.	.	H	α-helix	trans	-80.3	-40.2	179	-60.2	0	0	0	0	112.3	S432 K433 S434 R439 N440	S432-T436 WeakPolarHBondContact O-CB 3.4Å; S432-T436 PolarHBondContact O-N 3.22Å; S432-T436 PolarHBondContact O-OG1 2.97Å; K433-T436 PolarHBondContact O-N 2.87Å; S434-T436 PolarHBondContact O-N 2.99Å; T436-R439 PolarHBondContact O-N 2.91Å; T436-R439 PolarHBondContact OG1-NH1 3.48Å; T436-N440 VanDerWaalsContact O-CG 3.22Å; T436-N440 PolarHBondContact O-N 3.04Å; T436-N440 PolarHBondContact O-OD1 2.98Å; T436-N440 VanDerWaalsContact O-OD1 3.09Å
437	V	87.4	Confident	89.4	Confident	82 Å²	82	102.8 Å²	102.8	50%	0.497	52%	0.515	S	S	.	.	H	α-helix	trans	-59.6	-47.6	171.7	173.4	0	0	0	0	110.6	K433 S434 R439 N440 L441	K433-V437 PolarHBondContact O-N 3.13Å; S434-V437 PolarHBondContact O-N 2.85Å; V437-R439 VanDerWaalsContact C-N 3.29Å; V437-R439 PolarHBondContact O-N 3.38Å; V437-N440 PolarHBondContact O-N 2.9Å; V437-L441 HydrophobicContact CG1-CD1 3.87Å; V437-L441 HydrophobicContact CG1-CG 4.37Å; V437-L441 WeakPolarHBondContact O-CG 3.25Å; V437-L441 PolarHBondContact O-N 3.05Å
438	N	88.5	Confident	88.4	Confident	98 Å²	98	103.4 Å²	103.4	52%	0.524	52%	0.518	S	S	.	.	H	α-helix	trans	-60.8	-37.1	179.9	-66.9	-14	0	0	0	112.7	S434 A442	S434-N438 PolarHBondContact O-N 3.38Å; S434-N438 PolarHBondContact O-ND2 3.43Å; N438-A442 PolarHBondContact O-N 2.8Å
439	R	91.5	Very high	88	Confident	119 Å²	119	100.8 Å²	100.8	45%	0.449	51%	0.511	S	S	.	.	H	α-helix	trans	-66.8	-51.2	175.9	-169.1	-172.9	-49.7	102	9.3	111.4	E435 T436 V437 L441 A442 D443	E435-R439 WeakPolarHBondContact O-CB 3.17Å; E435-R439 PolarHBondContact O-N 2.81Å; T436-R439 PolarHBondContact O-N 2.91Å; T436-R439 PolarHBondContact OG1-NH1 3.48Å; V437-R439 VanDerWaalsContact C-N 3.29Å; V437-R439 PolarHBondContact O-N 3.38Å; R439-L441 VanDerWaalsContact C-N 3.29Å; R439-L441 PolarHBondContact O-N 3.28Å; R439-A442 PolarHBondContact O-N 2.92Å; R439-A442 VanDerWaalsContact O-N 3.14Å; R439-D443 PolarHBondContact O-N 3.45Å
440	N	89.4	Confident	87.4	Confident	91 Å²	91	99.8 Å²	99.8	49%	0.487	51%	0.512	S	S	.	.	H	α-helix	trans	-59.8	-40.6	-178.7	-66.1	10.6	0	0	0	111.5	T436 V437 D443 S444	T436-N440 VanDerWaalsContact O-CG 3.22Å; T436-N440 PolarHBondContact O-N 3.04Å; T436-N440 PolarHBondContact O-OD1 2.98Å; T436-N440 VanDerWaalsContact O-OD1 3.09Å; V437-N440 PolarHBondContact O-N 2.9Å; N440-D443 PolarHBondContact O-N 3.45Å; N440-S444 WeakPolarHBondContact O-CB 3.4Å; N440-S444 PolarHBondContact O-N 2.96Å; N440-S444 PolarHBondContact O-OG 2.76Å; N440-S444 VanDerWaalsContact O-OG 3.13Å
441	L	84.9	Confident	86.7	Confident	109 Å²	109	100.5 Å²	100.5	57%	0.571	51%	0.513	S	S	*	.	H	α-helix	trans	-62.7	-44.9	175.3	-71.8	172.6	0	0	0	112.3	V437 R439 S444 E445	V437-L441 HydrophobicContact CG1-CD1 3.87Å; V437-L441 HydrophobicContact CG1-CG 4.37Å; V437-L441 WeakPolarHBondContact O-CG 3.25Å; V437-L441 PolarHBondContact O-N 3.05Å; R439-L441 VanDerWaalsContact C-N 3.29Å; R439-L441 PolarHBondContact O-N 3.28Å; L441-S444 PolarHBondContact O-N 2.97Å; L441-E445 WeakPolarHBondContact O-CB 3.4Å; L441-E445 PolarHBondContact O-N 2.9Å
442	A	89.5	Confident	85.7	Confident	51 Å²	51	96.7 Å²	96.7	42%	0.421	50%	0.504	S	S	.	.	H	α-helix	trans	-65.8	-36.9	178.4	0	0	0	0	0	112.8	N438 R439 K446	N438-A442 PolarHBondContact O-N 2.8Å; R439-A442 PolarHBondContact O-N 2.92Å; R439-A442 VanDerWaalsContact O-N 3.14Å; A442-K446 WeakPolarHBondContact O-CB 3.31Å; A442-K446 PolarHBondContact O-N 3.04Å; A442-K446 VanDerWaalsContact O-N 3.09Å
443	D	86.7	Confident	85.2	Confident	95 Å²	95	98 Å²	98	51%	0.508	51%	0.506	S	S	.	.	H	α-helix	trans	-67.1	-41.6	174.6	-72.1	-40	0	0	0	111.4	R439 N440 K446 E447	R439-D443 PolarHBondContact O-N 3.45Å; N440-D443 PolarHBondContact O-N 3.45Å; D443-K446 PolarHBondContact O-N 2.96Å; D443-E447 PolarHBondContact O-N 2.95Å; D443-E447 VanDerWaalsContact O-N 3.08Å
444	S	82.3	Confident	84.5	Confident	76 Å²	76	95.4 Å²	95.4	53%	0.531	50%	0.503	S	S	.	.	H	α-helix	trans	-68.5	-39.4	175	-64.1	0	0	0	0	113.7	N440 L441 K446 E447 L448	N440-S444 WeakPolarHBondContact O-CB 3.4Å; N440-S444 PolarHBondContact O-N 2.96Å; N440-S444 PolarHBondContact O-OG 2.76Å; N440-S444 VanDerWaalsContact O-OG 3.13Å; L441-S444 PolarHBondContact O-N 2.97Å; S444-K446 VanDerWaalsContact C-N 3.33Å; S444-E447 PolarHBondContact O-N 3.44Å; S444-L448 PolarHBondContact O-N 2.89Å
445	E	84.2	Confident	83.5	Confident	133 Å²	133	97 Å²	97	62%	0.621	51%	0.507	S	S	*	.	H	α-helix	trans	-59.9	-45.3	174.2	-177.3	-175.6	-179.8	0	0	110.5	L441 E447 L448 V449	L441-E445 WeakPolarHBondContact O-CB 3.4Å; L441-E445 PolarHBondContact O-N 2.9Å; E445-E447 PolarHBondContact O-N 3.2Å; E445-L448 PolarHBondContact O-N 2.9Å; E445-V449 WeakPolarHBondContact O-CG2 3.47Å; E445-V449 PolarHBondContact O-N 3.23Å
446	K	88.9	Confident	82.9	Confident	132 Å²	132	96 Å²	96	57%	0.574	50%	0.504	S	S	*	.	H	α-helix	trans	-60.5	-45.6	176.4	-176.5	-163.2	164.9	-148	0	111.9	A442 D443 S444 V449 E450	A442-K446 WeakPolarHBondContact O-CB 3.31Å; A442-K446 PolarHBondContact O-N 3.04Å; A442-K446 VanDerWaalsContact O-N 3.09Å; D443-K446 PolarHBondContact O-N 2.96Å; S444-K446 VanDerWaalsContact C-N 3.33Å; K446-V449 PolarHBondContact O-N 2.96Å; K446-E450 PolarHBondContact O-N 2.82Å
447	E	81.5	Confident	82.3	Confident	114 Å²	114	97.3 Å²	97.3	53%	0.533	51%	0.512	S	S	.	.	H	α-helix	trans	-62	-45.3	178.5	-166.2	-172.7	153	0	0	111.5	D443 S444 E445 V449 E450 Q451	D443-E447 PolarHBondContact O-N 2.95Å; D443-E447 VanDerWaalsContact O-N 3.08Å; S444-E447 PolarHBondContact O-N 3.44Å; E445-E447 PolarHBondContact O-N 3.2Å; E447-V449 VanDerWaalsContact C-N 3.31Å; E447-V449 PolarHBondContact O-N 2.74Å; E447-E450 PolarHBondContact O-N 2.98Å; E447-E450 VanDerWaalsContact O-N 3.11Å; E447-Q451 WeakPolarHBondContact O-CG 3.16Å; E447-Q451 PolarHBondContact O-N 2.84Å; E447-Q451 PolarHBondContact OE1-NE2 2.92Å
448	L	73.1	Confident	81.5	Confident	99 Å²	99	95 Å²	95	52%	0.518	50%	0.501	S	S	.	.	H	α-helix	trans	-57.5	-43.8	175.9	177.2	61.5	0	0	0	111.8	S444 E445 Q451 L452	S444-L448 PolarHBondContact O-N 2.89Å; E445-L448 PolarHBondContact O-N 2.9Å; L448-Q451 PolarHBondContact O-N 3.16Å; L448-L452 HydrophobicContact CD1-CD1 4.15Å; L448-L452 HydrophobicContact CD1-CG 4.31Å; L448-L452 HydrophobicContact CG-CD1 4.07Å; L448-L452 WeakPolarHBondContact O-CB 3.37Å; L448-L452 VanDerWaalsContact O-CG 3.26Å; L448-L452 WeakPolarHBondContact O-CG 3.39Å; L448-L452 PolarHBondContact O-N 2.84Å
449	V	84	Confident	80.8	Confident	71 Å²	71	93.1 Å²	93.1	43%	0.43	49%	0.491	S	S	.	.	H	α-helix	trans	-64.4	-38.2	176.2	170	0	0	0	0	111.7	E445 K446 E447 L452 N453	E445-V449 WeakPolarHBondContact O-CG2 3.47Å; E445-V449 PolarHBondContact O-N 3.23Å; K446-V449 PolarHBondContact O-N 2.96Å; E447-V449 VanDerWaalsContact C-N 3.31Å; E447-V449 PolarHBondContact O-N 2.74Å; V449-L452 PolarHBondContact O-N 2.73Å; V449-N453 WeakPolarHBondContact CG1-ND2 3.34Å; V449-N453 WeakPolarHBondContact O-CB 3.34Å; V449-N453 PolarHBondContact O-N 3.1Å; V449-N453 PolarHBondContact O-ND2 2.85Å
450	E	83	Confident	80.3	Confident	118 Å²	118	91.6 Å²	91.6	55%	0.551	49%	0.489	S	S	*	.	H	α-helix	trans	-68.2	-41.6	177.4	-167	163.5	170	0	0	112	K446 E447 N453 T454	K446-E450 PolarHBondContact O-N 2.82Å; E447-E450 PolarHBondContact O-N 2.98Å; E447-E450 VanDerWaalsContact O-N 3.11Å; E450-N453 PolarHBondContact O-N 2.81Å; E450-T454 PolarHBondContact O-N 2.67Å; E450-T454 VanDerWaalsContact O-N 3.08Å; E450-T454 PolarHBondContact O-OG1 2.87Å
451	Q	74.9	Confident	79.8	Confident	110 Å²	110	91.3 Å²	91.3	51%	0.514	49%	0.49	S	S	.	.	H	α-helix	trans	-62.2	-44.8	173.3	-67.3	-179.1	18.3	0	0	111.9	E447 L448 T454 L455	E447-Q451 WeakPolarHBondContact O-CG 3.16Å; E447-Q451 PolarHBondContact O-N 2.84Å; E447-Q451 PolarHBondContact OE1-NE2 2.92Å; L448-Q451 PolarHBondContact O-N 3.16Å; Q451-T454 WeakPolarHBondContact O-CB 3.4Å; Q451-T454 PolarHBondContact O-N 2.98Å; Q451-L455 PolarHBondContact O-N 2.8Å; Q451-L455 VanDerWaalsContact O-N 3.09Å
452	L	70.9	Confident	79.5	Confident	88 Å²	88	88.2 Å²	88.2	46%	0.461	47%	0.472	S	S	.	.	H	α-helix	trans	-64.2	-42.4	178	-73.4	170.6	0	0	0	112.5	L448 V449 T454 L455 I456	L448-L452 HydrophobicContact CD1-CD1 4.15Å; L448-L452 HydrophobicContact CD1-CG 4.31Å; L448-L452 HydrophobicContact CG-CD1 4.07Å; L448-L452 WeakPolarHBondContact O-CB 3.37Å; L448-L452 VanDerWaalsContact O-CG 3.26Å; L448-L452 WeakPolarHBondContact O-CG 3.39Å; L448-L452 PolarHBondContact O-N 2.84Å; V449-L452 PolarHBondContact O-N 2.73Å; L452-T454 VanDerWaalsContact C-N 3.3Å; L452-T454 PolarHBondContact O-N 2.92Å; L452-L455 PolarHBondContact O-N 3.33Å; L452-I456 WeakPolarHBondContact O-CG1 3.46Å; L452-I456 PolarHBondContact O-N 2.78Å
453	N	81.5	Confident	78.9	Confident	86 Å²	86	91.5 Å²	91.5	46%	0.46	48%	0.477	S	S	.	.	H	α-helix	trans	-64	-35.5	175.9	-79.6	-62.3	0	0	0	112.4	V449 E450 I456 T457	V449-N453 WeakPolarHBondContact CG1-ND2 3.34Å; V449-N453 WeakPolarHBondContact O-CB 3.34Å; V449-N453 PolarHBondContact O-N 3.1Å; V449-N453 PolarHBondContact O-ND2 2.85Å; E450-N453 PolarHBondContact O-N 2.81Å; N453-I456 PolarHBondContact O-N 3.01Å; N453-T457 WeakPolarHBondContact O-CB 3.27Å; N453-T457 PolarHBondContact O-N 3.46Å; N453-T457 PolarHBondContact O-OG1 2.87Å
454	T	77	Confident	78.7	Confident	96 Å²	96	93.2 Å²	93.2	59%	0.589	48%	0.482	S	S	*	.	H	α-helix	trans	-62.6	-45.3	173.8	-57.2	0	0	0	0	111.1	E450 Q451 L452 T457 A458	E450-T454 PolarHBondContact O-N 2.67Å; E450-T454 VanDerWaalsContact O-N 3.08Å; E450-T454 PolarHBondContact O-OG1 2.87Å; Q451-T454 WeakPolarHBondContact O-CB 3.4Å; Q451-T454 PolarHBondContact O-N 2.98Å; L452-T454 VanDerWaalsContact C-N 3.3Å; L452-T454 PolarHBondContact O-N 2.92Å; T454-T457 PolarHBondContact O-N 3.38Å; T454-A458 PolarHBondContact O-N 2.92Å; T454-A458 VanDerWaalsContact O-N 3.1Å
455	L	70.6	Confident	78.5	Confident	98 Å²	98	92.3 Å²	92.3	51%	0.513	47%	0.469	S	S	.	.	H	α-helix	trans	-64	-43.8	176.9	-179.3	61	0	0	0	112.5	Q451 L452 T457 A458 I459	Q451-L455 PolarHBondContact O-N 2.8Å; Q451-L455 VanDerWaalsContact O-N 3.09Å; L452-L455 PolarHBondContact O-N 3.33Å; L455-T457 VanDerWaalsContact C-N 3.32Å; L455-T457 PolarHBondContact O-N 3.22Å; L455-A458 PolarHBondContact O-N 3.37Å; L455-I459 HydrophobicContact CD1-CD1 4.24Å; L455-I459 HydrophobicContact CD1-CG1 4.49Å; L455-I459 HydrophobicContact CG-CD1 3.95Å; L455-I459 WeakPolarHBondContact O-CD1 3.32Å; L455-I459 VanDerWaalsContact O-CG1 3.3Å; L455-I459 WeakPolarHBondContact O-CG1 3.46Å; L455-I459 PolarHBondContact O-N 3.5Å
456	I	79.2	Confident	77.8	Confident	91 Å²	91	89.1 Å²	89.1	47%	0.467	46%	0.456	S	S	.	.	H	α-helix	trans	-57.8	-46.8	175.2	-69.8	164.7	0	0	0	110.4	L452 N453 A458 I459 E460	L452-I456 WeakPolarHBondContact O-CG1 3.46Å; L452-I456 PolarHBondContact O-N 2.78Å; N453-I456 PolarHBondContact O-N 3.01Å; I456-A458 VanDerWaalsContact C-N 3.34Å; I456-A458 PolarHBondContact O-N 3.11Å; I456-I459 PolarHBondContact O-N 3.32Å; I456-E460 HydrophobicContact CG2-CG 4.37Å; I456-E460 WeakPolarHBondContact O-CG 3.38Å; I456-E460 PolarHBondContact O-N 3.1Å
457	T	79.2	Confident	77.1	Confident	86 Å²	86	85.6 Å²	85.6	53%	0.528	45%	0.446	S	S	.	.	H	α-helix	trans	-58.7	-45.1	179.1	-55.6	0	0	0	0	111.3	N453 T454 L455 E460 T461	N453-T457 WeakPolarHBondContact O-CB 3.27Å; N453-T457 PolarHBondContact O-N 3.46Å; N453-T457 PolarHBondContact O-OG1 2.87Å; T454-T457 PolarHBondContact O-N 3.38Å; L455-T457 VanDerWaalsContact C-N 3.32Å; L455-T457 PolarHBondContact O-N 3.22Å; T457-E460 PolarHBondContact O-N 2.96Å; T457-T461 PolarHBondContact O-N 3.33Å; T457-T461 PolarHBondContact O-OG1 3.45Å
458	A	71.4	Confident	77.1	Confident	33 Å²	33	85.9 Å²	85.9	27%	0.273	45%	0.447	S	S	.	.	H	α-helix	trans	-62.9	-42.4	176.9	0	0	0	0	0	112.9	T454 L455 I456 T461 K462 L618	T454-A458 PolarHBondContact O-N 2.92Å; T454-A458 VanDerWaalsContact O-N 3.1Å; L455-A458 PolarHBondContact O-N 3.37Å; I456-A458 VanDerWaalsContact C-N 3.34Å; I456-A458 PolarHBondContact O-N 3.11Å; A458-T461 PolarHBondContact O-N 2.97Å; A458-K462 PolarHBondContact O-N 3.38Å; A458-K462 VanDerWaalsContact O-N 3.11Å; A458-L618 WeakPolarHBondContact O-CD2 3.49Å
459	I	73.8	Confident	77.1	Confident	59 Å²	59	88.1 Å²	88.1	30%	0.303	45%	0.449	S	S	.	.	H	α-helix	trans	-59.8	-46.4	175.1	-67.1	160.7	0	0	0	110.5	L455 I456 K462 K463 L618	L455-I459 HydrophobicContact CD1-CD1 4.24Å; L455-I459 HydrophobicContact CD1-CG1 4.49Å; L455-I459 HydrophobicContact CG-CD1 3.95Å; L455-I459 WeakPolarHBondContact O-CD1 3.32Å; L455-I459 VanDerWaalsContact O-CG1 3.3Å; L455-I459 WeakPolarHBondContact O-CG1 3.46Å; L455-I459 PolarHBondContact O-N 3.5Å; I456-I459 PolarHBondContact O-N 3.32Å; I459-K462 PolarHBondContact O-N 3Å; I459-K463 VanDerWaalsContact O-CB 3.29Å; I459-K463 WeakPolarHBondContact O-CB 3.33Å; I459-K463 PolarHBondContact O-N 2.81Å; I459-L618 HydrophobicContact CB-CD1 4.26Å; I459-L618 HydrophobicContact CG1-CD1 3.56Å
460	E	80.9	Confident	76.5	Confident	88 Å²	88	90.1 Å²	90.1	41%	0.411	46%	0.456	S	S	.	.	H	α-helix	trans	-66.6	-40.7	-179.6	-68.5	-129.3	107.3	0	0	112.9	I456 T457 K462 K463 Q464	I456-E460 HydrophobicContact CG2-CG 4.37Å; I456-E460 WeakPolarHBondContact O-CG 3.38Å; I456-E460 PolarHBondContact O-N 3.1Å; T457-E460 PolarHBondContact O-N 2.96Å; E460-K462 PolarHBondContact O-N 2.68Å; E460-K463 WeakPolarHBondContact O-CB 3.47Å; E460-K463 PolarHBondContact O-N 3.11Å; E460-K463 IonicContact OE1-NZ 2.68Å; E460-K463 PolarHBondContact OE1-NZ 3.21Å; E460-Q464 WeakPolarHBondContact O-CG 3.35Å; E460-Q464 PolarHBondContact O-N 3.02Å
461	T	78.7	Confident	76.4	Confident	84 Å²	84	91.7 Å²	91.7	52%	0.515	46%	0.457	S	S	.	.	H	α-helix	trans	-59.3	-46.8	174.2	-58.4	0	0	0	0	111.3	T457 A458 Q464 E465	T457-T461 PolarHBondContact O-N 3.33Å; T457-T461 PolarHBondContact O-OG1 3.45Å; A458-T461 PolarHBondContact O-N 2.97Å; T461-Q464 PolarHBondContact O-N 2.88Å; T461-E465 PolarHBondContact O-N 2.95Å; T461-E465 VanDerWaalsContact O-N 3.08Å
462	K	77.6	Confident	76.6	Confident	45 Å²	45	90.4 Å²	90.4	20%	0.196	45%	0.454	C	S	.	.	H	α-helix	trans	-68.9	-36	179.5	-156.7	78.1	-167.7	167.3	0	112.8	A458 I459 E460 Q464 E465 L466 L618	A458-K462 PolarHBondContact O-N 3.38Å; A458-K462 VanDerWaalsContact O-N 3.11Å; I459-K462 PolarHBondContact O-N 3Å; E460-K462 PolarHBondContact O-N 2.68Å; K462-Q464 VanDerWaalsContact C-N 3.3Å; K462-Q464 PolarHBondContact O-N 3.18Å; K462-E465 WeakPolarHBondContact CD-OE2 3.26Å; K462-E465 VanDerWaalsContact CE-OE2 3.27Å; K462-E465 WeakPolarHBondContact CE-OE2 3.43Å; K462-E465 VanDerWaalsContact NZ-CD 3.28Å; K462-E465 IonicContact NZ-OE1 3Å; K462-E465 PolarHBondContact NZ-OE1 2.96Å; K462-E465 VanDerWaalsContact NZ-OE1 3.12Å; K462-E465 IonicContact NZ-OE2 3.56Å; K462-E465 PolarHBondContact NZ-OE2 2.99Å; K462-E465 PolarHBondContact O-N 3.03Å; K462-L466 HydrophobicContact CG-CD1 4.13Å; K462-L466 HydrophobicContact CG-CG 4.36Å; K462-L466 WeakPolarHBondContact O-CB 3.31Å; K462-L466 VanDerWaalsContact O-CG 3.31Å; K462-L466 WeakPolarHBondContact O-CG 3.48Å; K462-L466 PolarHBondContact O-N 2.94Å; K462-L618 HydrophobicContact CB-CD2 3.33Å; K462-L618 HydrophobicContact CB-CG 4.14Å; K462-L618 HydrophobicContact CD-CD2 4.29Å; K462-L618 HydrophobicContact CG-CD2 3.73Å; K462-L618 HydrophobicContact CG-CG 4.19Å
463	K	78.4	Confident	76.8	Confident	120 Å²	120	89.1 Å²	89.1	52%	0.522	45%	0.446	S	S	.	.	H	α-helix	trans	-57.7	-41.6	171.6	165.8	-172.6	165.7	-164.7	0	111.4	I459 E460 T467	I459-K463 VanDerWaalsContact O-CB 3.29Å; I459-K463 WeakPolarHBondContact O-CB 3.33Å; I459-K463 PolarHBondContact O-N 2.81Å; E460-K463 WeakPolarHBondContact O-CB 3.47Å; E460-K463 PolarHBondContact O-N 3.11Å; E460-K463 IonicContact OE1-NZ 2.68Å; E460-K463 PolarHBondContact OE1-NZ 3.21Å; K463-T467 VanDerWaalsContact O-CB 3.31Å; K463-T467 WeakPolarHBondContact O-CB 3.44Å; K463-T467 PolarHBondContact O-N 2.84Å; K463-T467 VanDerWaalsContact O-N 3.16Å; K463-T467 PolarHBondContact O-OG1 3.15Å
464	Q	81.9	Confident	76.6	Confident	131 Å²	131	93 Å²	93	61%	0.612	45%	0.454	S	S	*	.	H	α-helix	trans	-64.9	-52.6	174.5	-68	175.9	32.6	0	0	111.2	E460 T461 K462 L466 T467 E468	E460-Q464 WeakPolarHBondContact O-CG 3.35Å; E460-Q464 PolarHBondContact O-N 3.02Å; T461-Q464 PolarHBondContact O-N 2.88Å; K462-Q464 VanDerWaalsContact C-N 3.3Å; K462-Q464 PolarHBondContact O-N 3.18Å; Q464-L466 PolarHBondContact O-N 3.49Å; Q464-T467 WeakPolarHBondContact O-CB 3.19Å; Q464-T467 PolarHBondContact O-N 3.19Å; Q464-T467 VanDerWaalsContact O-N 3.14Å; Q464-E468 PolarHBondContact O-N 3.18Å
465	E	78.5	Confident	76.9	Confident	56 Å²	56	92.7 Å²	92.7	26%	0.262	45%	0.452	S	S	.	.	H	α-helix	trans	-55.4	-48	179.9	-171.9	-157.7	140.8	0	0	112.9	T461 K462 T467 E468 R469	T461-E465 PolarHBondContact O-N 2.95Å; T461-E465 VanDerWaalsContact O-N 3.08Å; K462-E465 WeakPolarHBondContact CD-OE2 3.26Å; K462-E465 VanDerWaalsContact CE-OE2 3.27Å; K462-E465 WeakPolarHBondContact CE-OE2 3.43Å; K462-E465 VanDerWaalsContact NZ-CD 3.28Å; K462-E465 IonicContact NZ-OE1 3Å; K462-E465 PolarHBondContact NZ-OE1 2.96Å; K462-E465 VanDerWaalsContact NZ-OE1 3.12Å; K462-E465 IonicContact NZ-OE2 3.56Å; K462-E465 PolarHBondContact NZ-OE2 2.99Å; K462-E465 PolarHBondContact O-N 3.03Å; E465-T467 VanDerWaalsContact C-N 3.34Å; E465-T467 PolarHBondContact O-N 2.91Å; E465-E468 PolarHBondContact O-N 2.95Å; E465-R469 WeakPolarHBondContact O-CG 3.36Å; E465-R469 PolarHBondContact O-N 2.87Å; E465-R469 IonicContact OE1-CZ 3.12Å; E465-R469 IonicContact OE1-NE 2.86Å; E465-R469 PolarHBondContact OE1-NE 3.09Å; E465-R469 IonicContact OE1-NH2 3.57Å; E465-R469 PolarHBondContact OE1-NH2 2.87Å
466	L	69.4	Low	77.3	Confident	66 Å²	66	93.8 Å²	93.8	35%	0.346	45%	0.453	S	S	.	.	H	α-helix	trans	-67.5	-34.8	179.3	-67.9	174.7	0	0	0	112.1	K462 Q464 E468 L470 A614	K462-L466 HydrophobicContact CG-CD1 4.13Å; K462-L466 HydrophobicContact CG-CG 4.36Å; K462-L466 WeakPolarHBondContact O-CB 3.31Å; K462-L466 VanDerWaalsContact O-CG 3.31Å; K462-L466 WeakPolarHBondContact O-CG 3.48Å; K462-L466 PolarHBondContact O-N 2.94Å; Q464-L466 PolarHBondContact O-N 3.49Å; L466-E468 VanDerWaalsContact C-N 3.35Å; L466-L470 WeakPolarHBondContact O-CB 3.47Å; L466-L470 PolarHBondContact O-N 2.69Å; L466-L470 VanDerWaalsContact O-N 3.17Å; L466-A614 HydrophobicContact CD1-CB 3.85Å
467	T	74.5	Confident	77.3	Confident	59 Å²	59	94 Å²	94	36%	0.362	45%	0.447	S	S	.	.	H	α-helix	trans	-67.3	-37.5	174.7	-57.9	0	0	0	0	111.3	K463 Q464 E465 L470 R471	K463-T467 VanDerWaalsContact O-CB 3.31Å; K463-T467 WeakPolarHBondContact O-CB 3.44Å; K463-T467 PolarHBondContact O-N 2.84Å; K463-T467 VanDerWaalsContact O-N 3.16Å; K463-T467 PolarHBondContact O-OG1 3.15Å; Q464-T467 WeakPolarHBondContact O-CB 3.19Å; Q464-T467 PolarHBondContact O-N 3.19Å; Q464-T467 VanDerWaalsContact O-N 3.14Å; E465-T467 VanDerWaalsContact C-N 3.34Å; E465-T467 PolarHBondContact O-N 2.91Å; T467-L470 PolarHBondContact O-N 3.26Å; T467-R471 WeakPolarHBondContact O-CG 3.15Å; T467-R471 PolarHBondContact O-N 2.77Å; T467-R471 VanDerWaalsContact O-N 3.09Å
468	E	81.1	Confident	77.4	Confident	120 Å²	120	93.9 Å²	93.9	56%	0.561	44%	0.443	S	S	*	.	H	α-helix	trans	-68.3	-49.4	176.8	-171.8	157.7	-125.5	0	0	111.9	Q464 E465 L466 L470 R471 D472	Q464-E468 PolarHBondContact O-N 3.18Å; E465-E468 PolarHBondContact O-N 2.95Å; L466-E468 VanDerWaalsContact C-N 3.35Å; E468-L470 PolarHBondContact O-N 2.9Å; E468-L470 VanDerWaalsContact O-N 3.14Å; E468-R471 WeakPolarHBondContact O-CB 3.32Å; E468-R471 PolarHBondContact O-N 3.29Å; E468-D472 PolarHBondContact O-N 3.15Å
469	R	73	Confident	78.1	Confident	146 Å²	146	98.3 Å²	98.3	55%	0.551	46%	0.458	S	S	*	.	H	α-helix	trans	-51.1	-39.3	172.5	-70.4	173.1	-178	-119	5.2	112.5	E465 E473	E465-R469 WeakPolarHBondContact O-CG 3.36Å; E465-R469 PolarHBondContact O-N 2.87Å; E465-R469 IonicContact OE1-CZ 3.12Å; E465-R469 IonicContact OE1-NE 2.86Å; E465-R469 PolarHBondContact OE1-NE 3.09Å; E465-R469 IonicContact OE1-NH2 3.57Å; E465-R469 PolarHBondContact OE1-NH2 2.87Å; R469-E473 PolarHBondContact O-N 2.76Å
470	L	71.3	Confident	78.4	Confident	113 Å²	113	98.4 Å²	98.4	59%	0.592	46%	0.463	S	S	*	.	H	α-helix	trans	-73.4	-33.3	178.6	-172.9	146.8	0	0	0	113.1	L466 T467 E468 R474	L466-L470 WeakPolarHBondContact O-CB 3.47Å; L466-L470 PolarHBondContact O-N 2.69Å; L466-L470 VanDerWaalsContact O-N 3.17Å; T467-L470 PolarHBondContact O-N 3.26Å; E468-L470 PolarHBondContact O-N 2.9Å; E468-L470 VanDerWaalsContact O-N 3.14Å; L470-R474 WeakPolarHBondContact O-CB 3.43Å; L470-R474 PolarHBondContact O-N 3.39Å
471	R	80.6	Confident	78.3	Confident	151 Å²	151	97.9 Å²	97.9	57%	0.57	46%	0.463	S	S	*	.	H	α-helix	trans	-67.5	-41.4	171.7	-71	167.1	-176.3	155.9	1.3	111.4	T467 E468 R474 T475	T467-R471 WeakPolarHBondContact O-CG 3.15Å; T467-R471 PolarHBondContact O-N 2.77Å; T467-R471 VanDerWaalsContact O-N 3.09Å; E468-R471 WeakPolarHBondContact O-CB 3.32Å; E468-R471 PolarHBondContact O-N 3.29Å; R471-R474 PolarHBondContact O-N 2.94Å; R471-T475 WeakPolarHBondContact O-CB 3.11Å; R471-T475 PolarHBondContact O-N 3.45Å; R471-T475 PolarHBondContact O-OG1 3.49Å
472	D	78.5	Confident	78.7	Confident	83 Å²	83	100 Å²	100	44%	0.444	47%	0.465	S	S	.	.	H	α-helix	trans	-60.6	-50.8	175.9	-92.8	13.1	0	0	0	111.6	E468 R474 T475 K476	E468-D472 PolarHBondContact O-N 3.15Å; D472-R474 PolarHBondContact O-N 3.4Å; D472-T475 WeakPolarHBondContact O-CB 3.39Å; D472-T475 PolarHBondContact O-N 3.33Å; D472-T475 VanDerWaalsContact O-N 3.08Å; D472-K476 WeakPolarHBondContact O-CG 3.35Å; D472-K476 PolarHBondContact O-N 3.34Å
473	E	75.2	Confident	79.1	Confident	61 Å²	61	102.1 Å²	102.1	29%	0.285	48%	0.475	S	S	.	.	H	α-helix	trans	-65	-41.5	179.8	-174.4	52.5	-149.3	0	0	111.5	R469 T475 K476 R477	R469-E473 PolarHBondContact O-N 2.76Å; E473-T475 PolarHBondContact O-N 2.84Å; E473-K476 PolarHBondContact O-N 2.89Å; E473-R477 VanDerWaalsContact O-CB 3.31Å; E473-R477 WeakPolarHBondContact O-CB 3.45Å; E473-R477 PolarHBondContact O-N 3.26Å; E473-R477 IonicContact OE1-NH1 3.91Å
474	R	78.4	Confident	79.3	Confident	166 Å²	166	98 Å²	98	63%	0.626	46%	0.458	S	S	*	.	H	α-helix	trans	-53.5	-43.2	169.8	171.6	-177.8	-78.1	-164.1	-3.6	111.7	L470 R471 D472 R477 I478	L470-R474 WeakPolarHBondContact O-CB 3.43Å; L470-R474 PolarHBondContact O-N 3.39Å; R471-R474 PolarHBondContact O-N 2.94Å; D472-R474 PolarHBondContact O-N 3.4Å; R474-R477 WeakPolarHBondContact O-CB 3.15Å; R474-R477 PolarHBondContact O-N 2.9Å; R474-I478 HydrophobicContact CG-CD1 3.78Å; R474-I478 VanDerWaalsContact O-CG1 3.3Å; R474-I478 WeakPolarHBondContact O-CG1 3.37Å; R474-I478 PolarHBondContact O-N 3.34Å
475	T	82.5	Confident	79.4	Confident	91 Å²	91	96.8 Å²	96.8	56%	0.558	45%	0.454	S	S	*	.	H	α-helix	trans	-69.4	-44.7	-177.1	-57.7	0	0	0	0	111.6	R471 D472 E473 R477 I478 H479	R471-T475 WeakPolarHBondContact O-CB 3.11Å; R471-T475 PolarHBondContact O-N 3.45Å; R471-T475 PolarHBondContact O-OG1 3.49Å; D472-T475 WeakPolarHBondContact O-CB 3.39Å; D472-T475 PolarHBondContact O-N 3.33Å; D472-T475 VanDerWaalsContact O-N 3.08Å; E473-T475 PolarHBondContact O-N 2.84Å; T475-R477 VanDerWaalsContact C-N 3.33Å; T475-R477 PolarHBondContact O-N 3.09Å; T475-I478 PolarHBondContact O-N 3.5Å; T475-H479 PolarHBondContact O-N 3.08Å
476	K	80	Confident	80	Confident	120 Å²	120	99.3 Å²	99.3	52%	0.522	47%	0.47	S	S	.	.	H	α-helix	trans	-58.2	-44.4	172.1	-66.1	163.9	-166.6	164.8	0	111.3	D472 E473 H479 C480	D472-K476 WeakPolarHBondContact O-CG 3.35Å; D472-K476 PolarHBondContact O-N 3.34Å; E473-K476 PolarHBondContact O-N 2.89Å; K476-H479 PolarHBondContact O-N 2.98Å; K476-C480 PolarHBondContact O-N 3.13Å
477	R	77.8	Confident	80.8	Confident	95 Å²	95	102.2 Å²	102.2	36%	0.358	48%	0.476	S	S	.	.	H	α-helix	trans	-58.4	-49.7	177.2	-148	80.4	-166.8	164.7	9	112.1	E473 R474 T475 H479 C480 L481 I545	E473-R477 VanDerWaalsContact O-CB 3.31Å; E473-R477 WeakPolarHBondContact O-CB 3.45Å; E473-R477 PolarHBondContact O-N 3.26Å; E473-R477 IonicContact OE1-NH1 3.91Å; R474-R477 WeakPolarHBondContact O-CB 3.15Å; R474-R477 PolarHBondContact O-N 2.9Å; T475-R477 VanDerWaalsContact C-N 3.33Å; T475-R477 PolarHBondContact O-N 3.09Å; R477-H479 VanDerWaalsContact C-N 3.34Å; R477-H479 PolarHBondContact O-N 3.48Å; R477-C480 PolarHBondContact O-N 3Å; R477-L481 WeakPolarHBondContact O-CG 3.48Å; R477-L481 PolarHBondContact O-N 2.73Å; R477-L481 VanDerWaalsContact O-N 3.09Å; R477-I545 VanDerWaalsContact NH2-CB 3.31Å
478	I	82.2	Confident	81.3	Confident	84 Å²	84	101 Å²	101	43%	0.431	47%	0.469	S	S	.	.	H	α-helix	trans	-65.5	-37.3	179.1	-69.8	168.4	0	0	0	111.1	R474 T475 K482	R474-I478 HydrophobicContact CG-CD1 3.78Å; R474-I478 VanDerWaalsContact O-CG1 3.3Å; R474-I478 WeakPolarHBondContact O-CG1 3.37Å; R474-I478 PolarHBondContact O-N 3.34Å; T475-I478 PolarHBondContact O-N 3.5Å; I478-K482 HydrophobicContact CG2-CD 4.3Å; I478-K482 WeakPolarHBondContact O-CG 3.28Å; I478-K482 PolarHBondContact O-N 3.06Å
479	H	85.3	Confident	81.8	Confident	126 Å²	126	98.7 Å²	98.7	58%	0.583	46%	0.463	S	S	*	.	H	α-helix	trans	-62.2	-48.8	175	-171.7	-77.9	0	0	0	111.8	T475 K476 R477 L481 K482 E483	T475-H479 PolarHBondContact O-N 3.08Å; K476-H479 PolarHBondContact O-N 2.98Å; R477-H479 VanDerWaalsContact C-N 3.34Å; R477-H479 PolarHBondContact O-N 3.48Å; H479-L481 VanDerWaalsContact C-N 3.34Å; H479-L481 PolarHBondContact O-N 2.9Å; H479-K482 PolarHBondContact O-N 3.01Å; H479-E483 PolarHBondContact O-N 3.12Å
480	C	81	Confident	82.6	Confident	62 Å²	62	94.3 Å²	94.3	42%	0.419	46%	0.455	S	S	.	.	H	α-helix	trans	-60.6	-41.1	179	-171.8	0	0	0	0	112.3	K476 R477 E483 Q484	K476-C480 PolarHBondContact O-N 3.13Å; R477-C480 PolarHBondContact O-N 3Å; C480-E483 PolarHBondContact O-N 2.91Å; C480-Q484 WeakPolarHBondContact O-CG 3.4Å; C480-Q484 PolarHBondContact O-N 3.36Å; C480-Q484 PolarHBondContact SG-NE2 2.83Å
481	L	78.6	Confident	83.6	Confident	77 Å²	77	90.7 Å²	90.7	40%	0.403	44%	0.436	S	S	.	.	H	α-helix	trans	-64.9	-40.5	175	-70.7	171.1	0	0	0	112.4	R477 H479 E483 Q484 I485	R477-L481 WeakPolarHBondContact O-CG 3.48Å; R477-L481 PolarHBondContact O-N 2.73Å; R477-L481 VanDerWaalsContact O-N 3.09Å; H479-L481 VanDerWaalsContact C-N 3.34Å; H479-L481 PolarHBondContact O-N 2.9Å; L481-E483 VanDerWaalsContact C-N 3.32Å; L481-E483 PolarHBondContact O-N 3.15Å; L481-Q484 PolarHBondContact O-N 3.2Å; L481-I485 VanDerWaalsContact O-CG1 3.3Å; L481-I485 WeakPolarHBondContact O-CG1 3.33Å; L481-I485 PolarHBondContact O-N 3.28Å
482	K	86.1	Confident	84.1	Confident	129 Å²	129	87.6 Å²	87.6	56%	0.561	43%	0.43	S	S	*	.	H	α-helix	trans	-61.8	-39.3	173.5	-76.1	177.2	175.8	-175.9	0	112.2	I478 H479 I485 N486	I478-K482 HydrophobicContact CG2-CD 4.3Å; I478-K482 WeakPolarHBondContact O-CG 3.28Å; I478-K482 PolarHBondContact O-N 3.06Å; H479-K482 PolarHBondContact O-N 3.01Å; K482-I485 PolarHBondContact O-N 2.92Å; K482-N486 WeakPolarHBondContact O-CB 3.32Å; K482-N486 PolarHBondContact O-N 2.88Å; K482-N486 PolarHBondContact O-ND2 2.77Å
483	E	87.3	Confident	84.8	Confident	89 Å²	89	88.1 Å²	88.1	42%	0.416	44%	0.436	S	S	.	.	H	α-helix	trans	-65.3	-39.6	176.8	-162.9	-172.7	147	0	0	112.2	H479 C480 L481 N486 R487	H479-E483 PolarHBondContact O-N 3.12Å; C480-E483 PolarHBondContact O-N 2.91Å; L481-E483 VanDerWaalsContact C-N 3.32Å; L481-E483 PolarHBondContact O-N 3.15Å; E483-N486 PolarHBondContact O-N 3.38Å; E483-R487 PolarHBondContact O-N 2.88Å; E483-R487 IonicContact OE1-CZ 3.82Å; E483-R487 IonicContact OE1-NH1 3.74Å; E483-R487 PolarHBondContact OE1-NH1 2.84Å; E483-R487 IonicContact OE1-NH2 2.68Å
484	Q	81.2	Confident	85.6	Confident	34 Å²	34	92 Å²	92	16%	0.159	45%	0.452	C	S	.	.	H	α-helix	trans	-65.7	-44.7	174.4	-69.9	172.3	47.3	0	0	111.9	C480 L481 N486 R487 V488 T539 T542	C480-Q484 WeakPolarHBondContact O-CG 3.4Å; C480-Q484 PolarHBondContact O-N 3.36Å; C480-Q484 PolarHBondContact SG-NE2 2.83Å; L481-Q484 PolarHBondContact O-N 3.2Å; Q484-N486 VanDerWaalsContact C-N 3.3Å; Q484-N486 PolarHBondContact O-N 2.78Å; Q484-R487 WeakPolarHBondContact O-CB 3.43Å; Q484-R487 PolarHBondContact O-N 2.97Å; Q484-V488 PolarHBondContact O-N 3.06Å; Q484-V488 VanDerWaalsContact O-N 3.07Å; Q484-T539 HydrophobicContact CB-CG2 4.43Å; Q484-T542 PolarHBondContact OE1-OG1 3.47Å
485	I	85.4	Confident	86.3	Confident	104 Å²	104	84.9 Å²	84.9	53%	0.533	43%	0.428	S	S	.	.	H	α-helix	trans	-58	-43.9	173.8	-69.5	164.1	0	0	0	110.7	L481 K482 V488 T489	L481-I485 VanDerWaalsContact O-CG1 3.3Å; L481-I485 WeakPolarHBondContact O-CG1 3.33Å; L481-I485 PolarHBondContact O-N 3.28Å; K482-I485 PolarHBondContact O-N 2.92Å; I485-V488 PolarHBondContact O-N 2.81Å; I485-T489 VanDerWaalsContact O-CB 3.27Å; I485-T489 WeakPolarHBondContact O-CB 3.5Å; I485-T489 PolarHBondContact O-N 2.98Å; I485-T489 PolarHBondContact O-OG1 2.66Å
486	N	89.8	Confident	86.8	Confident	110 Å²	110	84.2 Å²	84.2	59%	0.588	42%	0.424	S	S	*	.	H	α-helix	trans	-65.1	-39.4	178.7	-71.5	-14	0	0	0	112.6	K482 E483 Q484 S490	K482-N486 WeakPolarHBondContact O-CB 3.32Å; K482-N486 PolarHBondContact O-N 2.88Å; K482-N486 PolarHBondContact O-ND2 2.77Å; E483-N486 PolarHBondContact O-N 3.38Å; Q484-N486 VanDerWaalsContact C-N 3.3Å; Q484-N486 PolarHBondContact O-N 2.78Å; N486-S490 WeakPolarHBondContact O-CB 3.47Å; N486-S490 PolarHBondContact O-N 2.64Å
487	R	86.5	Confident	87.5	Confident	126 Å²	126	80.6 Å²	80.6	48%	0.475	42%	0.421	S	S	.	.	H	α-helix	trans	-57.9	-56.8	172.6	-88.9	-175.9	167.4	80.7	-3.4	111.5	E483 Q484 T489 S490 L491 E535	E483-R487 PolarHBondContact O-N 2.88Å; E483-R487 IonicContact OE1-CZ 3.82Å; E483-R487 IonicContact OE1-NH1 3.74Å; E483-R487 PolarHBondContact OE1-NH1 2.84Å; E483-R487 IonicContact OE1-NH2 2.68Å; Q484-R487 WeakPolarHBondContact O-CB 3.43Å; Q484-R487 PolarHBondContact O-N 2.97Å; R487-T489 VanDerWaalsContact C-N 3.31Å; R487-T489 PolarHBondContact O-N 2.84Å; R487-S490 WeakPolarHBondContact O-CB 3.21Å; R487-S490 PolarHBondContact O-N 2.99Å; R487-L491 PolarHBondContact O-N 2.87Å; R487-E535 WeakPolarHBondContact CD-OE1 3.36Å; R487-E535 IonicContact NE-OE1 2.71Å
488	V	86.2	Confident	88.4	Confident	34 Å²	34	77.2 Å²	77.2	21%	0.206	41%	0.409	C	S	.	.	H	α-helix	trans	-62.6	-39.2	-177.5	178.2	0	0	0	0	111	Q484 I485 S490 L491 L492 L536 T539	Q484-V488 PolarHBondContact O-N 3.06Å; Q484-V488 VanDerWaalsContact O-N 3.07Å; I485-V488 PolarHBondContact O-N 2.81Å; V488-S490 PolarHBondContact O-N 2.89Å; V488-L491 PolarHBondContact O-N 2.87Å; V488-L492 VanDerWaalsContact O-CB 3.3Å; V488-L492 WeakPolarHBondContact O-CB 3.47Å; V488-L492 PolarHBondContact O-N 2.87Å; V488-L536 HydrophobicContact CG1-CD2 4.15Å; V488-T539 HydrophobicContact CG2-CG2 3.77Å
489	T	90.7	Very high	89	Confident	72 Å²	72	77.7 Å²	77.7	44%	0.442	41%	0.412	S	S	.	.	H	α-helix	trans	-63.4	-42.2	176.2	-56.3	0	0	0	0	111.9	I485 R487 T493	I485-T489 VanDerWaalsContact O-CB 3.27Å; I485-T489 WeakPolarHBondContact O-CB 3.5Å; I485-T489 PolarHBondContact O-N 2.98Å; I485-T489 PolarHBondContact O-OG1 2.66Å; R487-T489 VanDerWaalsContact C-N 3.31Å; R487-T489 PolarHBondContact O-N 2.84Å; T489-T493 WeakPolarHBondContact O-CB 3.42Å; T489-T493 PolarHBondContact O-N 3.2Å; T489-T493 PolarHBondContact O-OG1 3.46Å
490	S	90.9	Very high	89.4	Confident	54 Å²	54	76.9 Å²	76.9	38%	0.378	41%	0.409	S	S	.	.	H	α-helix	trans	-63.7	-42	175.5	-171.7	0	0	0	0	112.1	N486 R487 V488 T493 K494	N486-S490 WeakPolarHBondContact O-CB 3.47Å; N486-S490 PolarHBondContact O-N 2.64Å; R487-S490 WeakPolarHBondContact O-CB 3.21Å; R487-S490 PolarHBondContact O-N 2.99Å; V488-S490 PolarHBondContact O-N 2.89Å; S490-T493 PolarHBondContact O-N 3.14Å; S490-K494 WeakPolarHBondContact O-CD 3.44Å; S490-K494 VanDerWaalsContact O-CG 3.31Å; S490-K494 WeakPolarHBondContact O-CG 3.49Å; S490-K494 PolarHBondContact O-N 2.95Å; S490-K494 VanDerWaalsContact O-N 3.14Å; S490-K494 PolarHBondContact OG-NZ 3.09Å
491	L	91.3	Very high	90.1	Very high	36 Å²	36	78 Å²	78	19%	0.188	41%	0.406	C	S	.	.	H	α-helix	trans	-67.3	-46.1	178.6	-173.5	57.6	0	0	0	111.7	R487 V488 T493 K494 S495 F532 E535	R487-L491 PolarHBondContact O-N 2.87Å; V488-L491 PolarHBondContact O-N 2.87Å; L491-T493 VanDerWaalsContact C-N 3.32Å; L491-T493 PolarHBondContact O-N 2.96Å; L491-K494 PolarHBondContact O-N 2.96Å; L491-S495 PolarHBondContact O-N 3.04Å; L491-S495 PolarHBondContact O-OG 3.25Å; L491-F532 HydrophobicContact CD2-CD2 4.29Å; L491-F532 HydrophobicContact CG-CD2 4.06Å; L491-E535 HydrophobicContact CD2-CB 3.47Å; L491-E535 VanDerWaalsContact CD2-CB 3.47Å; L491-E535 HydrophobicContact CD2-CG 3.95Å
492	L	91.5	Very high	90.8	Very high	86 Å²	86	75.3 Å²	75.3	45%	0.45	39%	0.394	S	S	.	.	H	α-helix	trans	-56.4	-44.9	173.8	180	62	0	0	0	111.7	V488 K494 S495 T496 F532	V488-L492 VanDerWaalsContact O-CB 3.3Å; V488-L492 WeakPolarHBondContact O-CB 3.47Å; V488-L492 PolarHBondContact O-N 2.87Å; L492-K494 VanDerWaalsContact C-N 3.34Å; L492-K494 PolarHBondContact O-N 3.28Å; L492-S495 PolarHBondContact O-N 3.32Å; L492-T496 WeakPolarHBondContact O-CB 3.44Å; L492-T496 PolarHBondContact O-N 2.92Å; L492-T496 PolarHBondContact O-OG1 3.22Å; L492-F532 HydrophobicContact CB-CE2 4.27Å; L492-F532 HydrophobicContact CD1-CE2 4.04Å; L492-F532 HydrophobicContact CD1-CZ 4.15Å
493	T	93.9	Very high	91.2	Very high	95 Å²	95	73 Å²	73	58%	0.583	39%	0.387	S	S	*	.	H	α-helix	trans	-61.3	-42.6	178.7	-57.3	0	0	0	0	111.7	T489 S490 L491 G497	T489-T493 WeakPolarHBondContact O-CB 3.42Å; T489-T493 PolarHBondContact O-N 3.2Å; T489-T493 PolarHBondContact O-OG1 3.46Å; S490-T493 PolarHBondContact O-N 3.14Å; L491-T493 VanDerWaalsContact C-N 3.32Å; L491-T493 PolarHBondContact O-N 2.96Å; T493-G497 PolarHBondContact O-N 3.49Å; T493-G497 VanDerWaalsContact O-N 3.07Å
494	K	92.2	Very high	91.5	Very high	141 Å²	141	73.1 Å²	73.1	61%	0.613	39%	0.387	S	S	*	.	H	α-helix	trans	-65	-45.1	176.5	-70.1	163.9	-175.6	167.4	0	111.8	S490 L491 L492 G497 L498	S490-K494 WeakPolarHBondContact O-CD 3.44Å; S490-K494 VanDerWaalsContact O-CG 3.31Å; S490-K494 WeakPolarHBondContact O-CG 3.49Å; S490-K494 PolarHBondContact O-N 2.95Å; S490-K494 VanDerWaalsContact O-N 3.14Å; S490-K494 PolarHBondContact OG-NZ 3.09Å; L491-K494 PolarHBondContact O-N 2.96Å; L492-K494 VanDerWaalsContact C-N 3.34Å; L492-K494 PolarHBondContact O-N 3.28Å; K494-G497 PolarHBondContact O-N 3.25Å; K494-L498 PolarHBondContact O-N 2.8Å
495	S	92.5	Very high	92	Very high	17 Å²	17	74 Å²	74	12%	0.119	39%	0.392	C	S	.	.	H	α-helix	trans	-64.5	-44.8	179.1	-63	0	0	0	0	112	L491 L492 G497 L498 I499	L491-S495 PolarHBondContact O-N 3.04Å; L491-S495 PolarHBondContact O-OG 3.25Å; L492-S495 PolarHBondContact O-N 3.32Å; S495-G497 VanDerWaalsContact C-N 3.32Å; S495-G497 PolarHBondContact O-N 3.35Å; S495-L498 PolarHBondContact O-N 3.03Å; S495-L498 VanDerWaalsContact O-N 3.17Å; S495-I499 WeakPolarHBondContact O-CG1 3.33Å; S495-I499 PolarHBondContact O-N 3.11Å
496	T	93.6	Very high	92.4	Very high	77 Å²	77	75 Å²	75	47%	0.472	40%	0.398	S	S	.	.	H	α-helix	trans	-60.6	-40.6	175.2	-58.8	0	0	0	0	111.9	L492 L498 I499 Q500	L492-T496 WeakPolarHBondContact O-CB 3.44Å; L492-T496 PolarHBondContact O-N 2.92Å; L492-T496 PolarHBondContact O-OG1 3.22Å; T496-L498 PolarHBondContact O-N 2.91Å; T496-I499 PolarHBondContact O-N 2.77Å; T496-Q500 PolarHBondContact O-N 2.86Å
497	G	94.1	Very high	92.6	Very high	44 Å²	44	76 Å²	76	45%	0.454	40%	0.397	S	S	.	.	H	α-helix	trans	-62.6	-39.2	174.3	0	0	0	0	0	113.4	T493 K494 S495 F501	T493-G497 PolarHBondContact O-N 3.49Å; T493-G497 VanDerWaalsContact O-N 3.07Å; K494-G497 PolarHBondContact O-N 3.25Å; S495-G497 VanDerWaalsContact C-N 3.32Å; S495-G497 PolarHBondContact O-N 3.35Å; G497-F501 WeakPolarHBondContact O-CB 3.45Å; G497-F501 PolarHBondContact O-N 3.1Å; G497-F501 VanDerWaalsContact O-N 3.08Å
498	L	95.3	Very high	92.9	Very high	24 Å²	24	74.3 Å²	74.3	13%	0.126	39%	0.394	C	S	.	.	H	α-helix	trans	-67.4	-42	174.4	180	62.4	0	0	0	112.1	K494 S495 T496 F501 C502 R524 A528	K494-L498 PolarHBondContact O-N 2.8Å; S495-L498 PolarHBondContact O-N 3.03Å; S495-L498 VanDerWaalsContact O-N 3.17Å; T496-L498 PolarHBondContact O-N 2.91Å; L498-F501 HydrophobicContact CD1-CD1 4.49Å; L498-F501 PolarHBondContact O-N 2.7Å; L498-C502 PolarHBondContact O-N 2.86Å; L498-C502 PolarHBondContact O-SG 3.47Å; L498-R524 HydrophobicContact CD1-CB 4.47Å; L498-R524 HydrophobicContact CD2-CB 4.38Å; L498-A528 HydrophobicContact CD2-CB 3.63Å
499	I	95.1	Very high	93.2	Very high	95 Å²	95	77.9 Å²	77.9	49%	0.487	42%	0.421	S	S	.	.	H	α-helix	trans	-58.8	-48.7	176.2	-70.3	163.5	0	0	0	110	S495 T496 F501 C502 I503	S495-I499 WeakPolarHBondContact O-CG1 3.33Å; S495-I499 PolarHBondContact O-N 3.11Å; T496-I499 PolarHBondContact O-N 2.77Å; I499-F501 VanDerWaalsContact C-N 3.33Å; I499-F501 PolarHBondContact O-N 2.81Å; I499-C502 PolarHBondContact O-N 3.01Å; I499-I503 HydrophobicContact CG2-CD1 3.78Å; I499-I503 HydrophobicContact CG2-CG1 4.48Å; I499-I503 WeakPolarHBondContact O-CG1 3.47Å; I499-I503 PolarHBondContact O-N 2.81Å
500	Q	94.6	Very high	93.3	Very high	109 Å²	109	77.5 Å²	77.5	51%	0.509	42%	0.416	S	S	.	.	H	α-helix	trans	-62.6	-39.1	178.7	-171.3	60.1	50.2	0	0	112.5	T496 I503 E504	T496-Q500 PolarHBondContact O-N 2.86Å; Q500-I503 PolarHBondContact O-N 3.47Å; Q500-E504 PolarHBondContact O-N 3.07Å; Q500-E504 VanDerWaalsContact O-N 3.09Å
501	F	94.7	Very high	93.3	Very high	85 Å²	85	79.1 Å²	79.1	37%	0.373	43%	0.426	S	S	.	.	H	α-helix	trans	-64	-41.5	174.4	177.9	-110.4	0	0	0	112.2	G497 L498 I499 E504 M505 L521	G497-F501 WeakPolarHBondContact O-CB 3.45Å; G497-F501 PolarHBondContact O-N 3.1Å; G497-F501 VanDerWaalsContact O-N 3.08Å; L498-F501 HydrophobicContact CD1-CD1 4.49Å; L498-F501 PolarHBondContact O-N 2.7Å; I499-F501 VanDerWaalsContact C-N 3.33Å; I499-F501 PolarHBondContact O-N 2.81Å; F501-E504 PolarHBondContact O-N 3.22Å; F501-M505 HydrophobicContact CD1-CG 4.39Å; F501-M505 HydrophobicContact CD2-CG 4.43Å; F501-M505 HydrophobicContact CE1-CG 4.02Å; F501-M505 HydrophobicContact CE2-CE 4.39Å; F501-M505 HydrophobicContact CE2-CG 4.05Å; F501-M505 HydrophobicContact CE2-SD 4.14Å; F501-M505 HydrophobicContact CZ-CG 3.83Å; F501-M505 HydrophobicContact CZ-SD 3.84Å; F501-M505 VanDerWaalsContact O-CG 3.27Å; F501-M505 WeakPolarHBondContact O-CG 3.34Å; F501-M505 PolarHBondContact O-N 2.83Å; F501-L521 HydrophobicContact CD1-CD2 4.16Å; F501-L521 HydrophobicContact CE1-CD2 3.63Å
502	C	95	Very high	93.4	Very high	21 Å²	21	80.9 Å²	80.9	14%	0.142	44%	0.441	C	S	.	.	H	α-helix	trans	-67.3	-37.1	176.3	-64.3	0	0	0	0	112.2	L498 I499 E504 M505 L506	L498-C502 PolarHBondContact O-N 2.86Å; L498-C502 PolarHBondContact O-SG 3.47Å; I499-C502 PolarHBondContact O-N 3.01Å; C502-E504 VanDerWaalsContact C-N 3.29Å; C502-E504 PolarHBondContact O-N 2.71Å; C502-M505 PolarHBondContact O-N 2.85Å; C502-L506 WeakPolarHBondContact O-CG 3.39Å; C502-L506 PolarHBondContact O-N 3.04Å
503	I	93.9	Very high	93.4	Very high	79 Å²	79	78.5 Å²	78.5	41%	0.405	43%	0.434	S	S	.	.	H	α-helix	trans	-61.5	-37.5	173.4	-71	166.6	0	0	0	111.4	I499 Q500	I499-I503 HydrophobicContact CG2-CD1 3.78Å; I499-I503 HydrophobicContact CG2-CG1 4.48Å; I499-I503 WeakPolarHBondContact O-CG1 3.47Å; I499-I503 PolarHBondContact O-N 2.81Å; Q500-I503 PolarHBondContact O-N 3.47Å
504	E	93.6	Very high	93.4	Very high	92 Å²	92	76.7 Å²	76.7	43%	0.43	42%	0.418	S	S	.	.	H	α-helix	trans	-72.7	-40.3	176.4	-149	62.4	-147.4	0	0	111.9	Q500 F501 C502 L506 K507	Q500-E504 PolarHBondContact O-N 3.07Å; Q500-E504 VanDerWaalsContact O-N 3.09Å; F501-E504 PolarHBondContact O-N 3.22Å; C502-E504 VanDerWaalsContact C-N 3.29Å; C502-E504 PolarHBondContact O-N 2.71Å; E504-L506 VanDerWaalsContact C-N 3.27Å; E504-L506 PolarHBondContact O-N 3.37Å; E504-K507 WeakPolarHBondContact O-CB 3.38Å; E504-K507 PolarHBondContact O-N 2.84Å; E504-K507 WeakPolarHBondContact OE1-CD 3.43Å; E504-K507 WeakPolarHBondContact OE1-CE 3.46Å; E504-K507 IonicContact OE1-NZ 2.73Å; E504-K507 PolarHBondContact OE1-NZ 3.2Å; E504-K507 WeakPolarHBondContact OE2-CE 3.22Å; E504-K507 IonicContact OE2-NZ 2.73Å; E504-K507 PolarHBondContact OE2-NZ 3.25Å
505	M	92	Very high	93.4	Very high	54 Å²	54	75.6 Å²	75.6	27%	0.266	42%	0.418	S	S	.	.	H	α-helix	trans	-65.7	-26.5	175.5	-65.6	-78.5	90.6	0	0	113.4	F501 C502 K507 E508 F514 L521	F501-M505 HydrophobicContact CD1-CG 4.39Å; F501-M505 HydrophobicContact CD2-CG 4.43Å; F501-M505 HydrophobicContact CE1-CG 4.02Å; F501-M505 HydrophobicContact CE2-CE 4.39Å; F501-M505 HydrophobicContact CE2-CG 4.05Å; F501-M505 HydrophobicContact CE2-SD 4.14Å; F501-M505 HydrophobicContact CZ-CG 3.83Å; F501-M505 HydrophobicContact CZ-SD 3.84Å; F501-M505 VanDerWaalsContact O-CG 3.27Å; F501-M505 WeakPolarHBondContact O-CG 3.34Å; F501-M505 PolarHBondContact O-N 2.83Å; C502-M505 PolarHBondContact O-N 2.85Å; M505-K507 PolarHBondContact O-N 3.18Å; M505-E508 WeakPolarHBondContact O-CB 3.4Å; M505-E508 PolarHBondContact O-N 3.11Å; M505-F514 WeakPolarHBondContact O-CD2 3.33Å; M505-L521 HydrophobicContact CB-CD1 3.68Å; M505-L521 HydrophobicContact CG-CD1 3.95Å
506	L	93.5	Very high	93.4	Very high	124 Å²	124	82.1 Å²	82.1	65%	0.649	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-6	171.5	-75.7	168.9	0	0	0	113.8	C502 E504 F514	C502-L506 WeakPolarHBondContact O-CG 3.39Å; C502-L506 PolarHBondContact O-N 3.04Å; E504-L506 VanDerWaalsContact C-N 3.27Å; E504-L506 PolarHBondContact O-N 3.37Å; L506-F514 HydrophobicContact CD2-CE2 4.1Å; L506-F514 HydrophobicContact CD2-CZ 3.95Å
507	K	92.9	Very high	93.4	Very high	131 Å²	131	81.3 Å²	81.3	57%	0.57	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	0.4	172.7	-53.2	174.3	-171.4	170.8	0	113.3	E504 M505 S509	E504-K507 WeakPolarHBondContact O-CB 3.38Å; E504-K507 PolarHBondContact O-N 2.84Å; E504-K507 WeakPolarHBondContact OE1-CD 3.43Å; E504-K507 WeakPolarHBondContact OE1-CE 3.46Å; E504-K507 IonicContact OE1-NZ 2.73Å; E504-K507 PolarHBondContact OE1-NZ 3.2Å; E504-K507 WeakPolarHBondContact OE2-CE 3.22Å; E504-K507 IonicContact OE2-NZ 2.73Å; E504-K507 PolarHBondContact OE2-NZ 3.25Å; M505-K507 PolarHBondContact O-N 3.18Å; K507-S509 PolarHBondContact O-N 2.9Å
508	E	93.7	Very high	93.3	Very high	90 Å²	90	80.2 Å²	80.2	42%	0.421	43%	0.431	S	S	.	.			trans	-60.7	135.3	178.3	-177.9	51.8	-103.3	0	0	110.5	M505 D510 A513 F514	M505-E508 WeakPolarHBondContact O-CB 3.4Å; M505-E508 PolarHBondContact O-N 3.11Å; E508-D510 PolarHBondContact OE1-N 2.92Å; E508-D510 VanDerWaalsContact OE1-N 3.14Å; E508-A513 HydrophobicContact CG-CB 4.22Å; E508-F514 HydrophobicContact CB-CB 4.26Å; E508-F514 HydrophobicContact CB-CD2 4.37Å; E508-F514 HydrophobicContact CG-CB 4.2Å
509	S	91.8	Very high	93.2	Very high	110 Å²	110	84.8 Å²	84.8	77%	0.769	45%	0.452	S	S	*	.	S	Bend	trans	-94	-26	-170.9	63.7	0	0	0	0	113.8	K507 P511	K507-S509 PolarHBondContact O-N 2.9Å; S509-P511 WeakPolarHBondContact O-CD 3.3Å
510	D	94	Very high	93.1	Very high	63 Å²	63	83.6 Å²	83.6	34%	0.337	45%	0.452	S	S	.	.			trans	-89.2	116.6	171.1	171.9	30.8	0	0	0	111	E508 S512 A513 F514	E508-D510 PolarHBondContact OE1-N 2.92Å; E508-D510 VanDerWaalsContact OE1-N 3.14Å; D510-S512 PolarHBondContact O-N 3.28Å; D510-S512 VanDerWaalsContact O-N 3.17Å; D510-S512 VanDerWaalsContact OD1-CB 3.26Å; D510-S512 WeakPolarHBondContact OD1-CB 3.42Å; D510-S512 PolarHBondContact OD1-N 2.83Å; D510-S512 PolarHBondContact OD1-OG 3.44Å; D510-S512 VanDerWaalsContact OD2-CB 3.27Å; D510-S512 WeakPolarHBondContact OD2-CB 3.38Å; D510-A513 HydrophobicContact CB-CB 4.05Å; D510-A513 PolarHBondContact O-N 2.9Å; D510-A513 WeakPolarHBondContact OD2-CB 3.35Å; D510-A513 PolarHBondContact OD2-N 3.37Å; D510-F514 PolarHBondContact O-N 2.86Å
511	P	91.1	Very high	93.1	Very high	89 Å²	89	79.3 Å²	79.3	58%	0.578	43%	0.432	S	S	*	.	H	α-helix	trans	-57	-29.2	173.6	-24.3	35.1	0	0	0	113.3	S509 L515	S509-P511 WeakPolarHBondContact O-CD 3.3Å; P511-L515 VanDerWaalsContact O-CB 3.25Å; P511-L515 WeakPolarHBondContact O-CB 3.38Å; P511-L515 WeakPolarHBondContact O-CD1 3.32Å; P511-L515 WeakPolarHBondContact O-CG 3.31Å; P511-L515 PolarHBondContact O-N 2.89Å
512	S	92.1	Very high	93.1	Very high	73 Å²	73	79.1 Å²	79.1	51%	0.51	43%	0.434	S	S	.	.	H	α-helix	trans	-71	-53.3	-178	-28.5	0	0	0	0	110.9	D510 F514 L515 L516	D510-S512 PolarHBondContact O-N 3.28Å; D510-S512 VanDerWaalsContact O-N 3.17Å; D510-S512 VanDerWaalsContact OD1-CB 3.26Å; D510-S512 WeakPolarHBondContact OD1-CB 3.42Å; D510-S512 PolarHBondContact OD1-N 2.83Å; D510-S512 PolarHBondContact OD1-OG 3.44Å; D510-S512 VanDerWaalsContact OD2-CB 3.27Å; D510-S512 WeakPolarHBondContact OD2-CB 3.38Å; S512-F514 VanDerWaalsContact C-N 3.34Å; S512-F514 PolarHBondContact O-N 3Å; S512-L515 PolarHBondContact O-N 3.08Å; S512-L516 WeakPolarHBondContact O-CG 3.36Å; S512-L516 PolarHBondContact O-N 3.28Å; S512-L516 VanDerWaalsContact O-N 3.09Å
513	A	92.1	Very high	93.1	Very high	36 Å²	36	80.9 Å²	80.9	30%	0.298	44%	0.444	S	S	.	.	H	α-helix	trans	-57.1	-44.5	173.6	0	0	0	0	0	112.1	E508 D510 L516	E508-A513 HydrophobicContact CG-CB 4.22Å; D510-A513 HydrophobicContact CB-CB 4.05Å; D510-A513 PolarHBondContact O-N 2.9Å; D510-A513 WeakPolarHBondContact OD2-CB 3.35Å; D510-A513 PolarHBondContact OD2-N 3.37Å; A513-L516 PolarHBondContact O-N 3.09Å
514	F	94.9	Very high	93.2	Very high	57 Å²	57	82.8 Å²	82.8	25%	0.25	45%	0.446	C	S	.	.	H	α-helix	trans	-62.5	-47.9	176.5	-179.2	-99.5	0	0	0	112.2	M505 L506 E508 D510 S512 L516 V517 S518	M505-F514 WeakPolarHBondContact O-CD2 3.33Å; L506-F514 HydrophobicContact CD2-CE2 4.1Å; L506-F514 HydrophobicContact CD2-CZ 3.95Å; E508-F514 HydrophobicContact CB-CB 4.26Å; E508-F514 HydrophobicContact CB-CD2 4.37Å; E508-F514 HydrophobicContact CG-CB 4.2Å; D510-F514 PolarHBondContact O-N 2.86Å; S512-F514 VanDerWaalsContact C-N 3.34Å; S512-F514 PolarHBondContact O-N 3Å; F514-L516 VanDerWaalsContact C-N 3.3Å; F514-L516 PolarHBondContact O-N 3.01Å; F514-V517 VanDerWaalsContact O-CG2 3.31Å; F514-V517 WeakPolarHBondContact O-CG2 3.2Å; F514-V517 PolarHBondContact O-N 2.91Å; F514-V517 VanDerWaalsContact O-N 3.15Å; F514-S518 WeakPolarHBondContact O-CB 3.18Å; F514-S518 PolarHBondContact O-N 3.37Å
515	L	91.3	Very high	93.2	Very high	118 Å²	118	81.2 Å²	81.2	62%	0.618	44%	0.443	S	S	*	.	H	α-helix	trans	-60.6	-38.5	-179.4	-78.2	169.8	0	0	0	112.2	P511 S512 V517 S518	P511-L515 VanDerWaalsContact O-CB 3.25Å; P511-L515 WeakPolarHBondContact O-CB 3.38Å; P511-L515 WeakPolarHBondContact O-CD1 3.32Å; P511-L515 WeakPolarHBondContact O-CG 3.31Å; P511-L515 PolarHBondContact O-N 2.89Å; S512-L515 PolarHBondContact O-N 3.08Å; L515-V517 VanDerWaalsContact C-N 3.26Å; L515-V517 PolarHBondContact O-N 3.4Å; L515-S518 PolarHBondContact O-N 3.22Å; L515-S518 PolarHBondContact O-OG 3.45Å
516	L	92.8	Very high	93.4	Very high	153 Å²	153	83.5 Å²	83.5	80%	0.801	45%	0.453	S	S	*	.	H	α-helix	trans	-58.7	-31.9	176.8	-74.6	169.4	0	0	0	113.7	S512 A513 F514	S512-L516 WeakPolarHBondContact O-CG 3.36Å; S512-L516 PolarHBondContact O-N 3.28Å; S512-L516 VanDerWaalsContact O-N 3.09Å; A513-L516 PolarHBondContact O-N 3.09Å; F514-L516 VanDerWaalsContact C-N 3.3Å; F514-L516 PolarHBondContact O-N 3.01Å
517	V	92.3	Very high	93.4	Very high	60 Å²	60	82 Å²	82	36%	0.364	45%	0.446	S	S	.	.	H	α-helix	trans	-100	-24	178.9	-62.6	0	0	0	0	113.9	F514 L515 Q519 S520 L521	F514-V517 VanDerWaalsContact O-CG2 3.31Å; F514-V517 WeakPolarHBondContact O-CG2 3.2Å; F514-V517 PolarHBondContact O-N 2.91Å; F514-V517 VanDerWaalsContact O-N 3.15Å; L515-V517 VanDerWaalsContact C-N 3.26Å; L515-V517 PolarHBondContact O-N 3.4Å; V517-Q519 PolarHBondContact O-N 3.28Å; V517-S520 WeakPolarHBondContact O-CA 3.36Å; V517-S520 VanDerWaalsContact O-CB 3.32Å; V517-S520 WeakPolarHBondContact O-CB 3.45Å; V517-S520 PolarHBondContact O-N 3.35Å; V517-L521 HydrophobicContact CG2-CD1 4.14Å; V517-L521 PolarHBondContact O-N 3.21Å; V517-L521 VanDerWaalsContact O-N 3.11Å
518	S	92.6	Very high	93.3	Very high	21 Å²	21	76.8 Å²	76.8	15%	0.147	43%	0.427	C	S	.	.	H	α-helix	trans	-46.6	-53.9	-171	64.3	0	0	0	0	114.5	F514 L515 S520 L521 I522	F514-S518 WeakPolarHBondContact O-CB 3.18Å; F514-S518 PolarHBondContact O-N 3.37Å; L515-S518 PolarHBondContact O-N 3.22Å; L515-S518 PolarHBondContact O-OG 3.45Å; S518-S520 VanDerWaalsContact C-N 3.27Å; S518-S520 PolarHBondContact O-N 3.07Å; S518-L521 WeakPolarHBondContact O-CB 3.49Å; S518-L521 PolarHBondContact O-N 3.48Å; S518-L521 VanDerWaalsContact O-N 3.11Å; S518-I522 WeakPolarHBondContact O-CG1 3.46Å; S518-I522 PolarHBondContact O-N 3.32Å
519	Q	93.5	Very high	93.3	Very high	121 Å²	121	77.8 Å²	77.8	57%	0.565	43%	0.432	S	S	*	.	H	α-helix	trans	-64.3	-31	-178.1	-172.6	57.7	52.6	0	0	112.8	V517 T523	V517-Q519 PolarHBondContact O-N 3.28Å; Q519-T523 WeakPolarHBondContact O-CB 3.42Å; Q519-T523 PolarHBondContact O-N 2.92Å; Q519-T523 PolarHBondContact O-OG1 3.04Å
520	S	93.7	Very high	93.3	Very high	70 Å²	70	78 Å²	78	49%	0.49	42%	0.421	S	S	.	.	H	α-helix	trans	-70.5	-40.2	174.8	-174	0	0	0	0	111.1	V517 S518 R524	V517-S520 WeakPolarHBondContact O-CA 3.36Å; V517-S520 VanDerWaalsContact O-CB 3.32Å; V517-S520 WeakPolarHBondContact O-CB 3.45Å; V517-S520 PolarHBondContact O-N 3.35Å; S518-S520 VanDerWaalsContact C-N 3.27Å; S518-S520 PolarHBondContact O-N 3.07Å; S520-R524 WeakPolarHBondContact O-CB 3.5Å; S520-R524 VanDerWaalsContact O-CG 3.23Å; S520-R524 WeakPolarHBondContact O-CG 3.28Å; S520-R524 PolarHBondContact O-N 3.22Å
521	L	94	Very high	93	Very high	18 Å²	18	79.1 Å²	79.1	9%	0.094	43%	0.427	C	S	.	.	H	α-helix	trans	-65	-43.8	175.3	-60.1	178.4	0	0	0	112	F501 M505 V517 S518 R524 T525	F501-L521 HydrophobicContact CD1-CD2 4.16Å; F501-L521 HydrophobicContact CE1-CD2 3.63Å; M505-L521 HydrophobicContact CB-CD1 3.68Å; M505-L521 HydrophobicContact CG-CD1 3.95Å; V517-L521 HydrophobicContact CG2-CD1 4.14Å; V517-L521 PolarHBondContact O-N 3.21Å; V517-L521 VanDerWaalsContact O-N 3.11Å; S518-L521 WeakPolarHBondContact O-CB 3.49Å; S518-L521 PolarHBondContact O-N 3.48Å; S518-L521 VanDerWaalsContact O-N 3.11Å; L521-R524 PolarHBondContact O-N 3.06Å; L521-T525 WeakPolarHBondContact O-CB 3.42Å; L521-T525 PolarHBondContact O-N 2.83Å; L521-T525 PolarHBondContact O-OG1 3.3Å
522	I	95.2	Very high	92.9	Very high	81 Å²	81	77.8 Å²	77.8	42%	0.415	41%	0.412	S	S	.	.	H	α-helix	trans	-57.9	-52.9	175.5	-67.8	166.1	0	0	0	110	S518 R524 T525 Q526	S518-I522 WeakPolarHBondContact O-CG1 3.46Å; S518-I522 PolarHBondContact O-N 3.32Å; I522-R524 VanDerWaalsContact C-N 3.34Å; I522-R524 PolarHBondContact O-N 2.81Å; I522-T525 PolarHBondContact O-N 3.4Å; I522-T525 VanDerWaalsContact O-N 3.15Å; I522-Q526 WeakPolarHBondContact O-CG 3.27Å; I522-Q526 PolarHBondContact O-N 2.8Å
523	T	94.6	Very high	92.7	Very high	58 Å²	58	77.6 Å²	77.6	36%	0.356	41%	0.405	S	S	.	.	H	α-helix	trans	-59.6	-42.4	179.6	-50.6	0	0	0	0	112.1	Q519 N527	Q519-T523 WeakPolarHBondContact O-CB 3.42Å; Q519-T523 PolarHBondContact O-N 2.92Å; Q519-T523 PolarHBondContact O-OG1 3.04Å; T523-N527 WeakPolarHBondContact O-CB 3.44Å; T523-N527 PolarHBondContact O-N 3.4Å; T523-N527 PolarHBondContact O-ND2 3.02Å
524	R	95.1	Very high	92.4	Very high	119 Å²	119	81.3 Å²	81.3	45%	0.449	42%	0.416	S	S	.	.	H	α-helix	trans	-64.1	-39.3	176.5	-77	172.3	63.7	-172.6	-1.5	112.4	L498 S520 L521 I522 A528	L498-R524 HydrophobicContact CD1-CB 4.47Å; L498-R524 HydrophobicContact CD2-CB 4.38Å; S520-R524 WeakPolarHBondContact O-CB 3.5Å; S520-R524 VanDerWaalsContact O-CG 3.23Å; S520-R524 WeakPolarHBondContact O-CG 3.28Å; S520-R524 PolarHBondContact O-N 3.22Å; L521-R524 PolarHBondContact O-N 3.06Å; I522-R524 VanDerWaalsContact C-N 3.34Å; I522-R524 PolarHBondContact O-N 2.81Å; R524-A528 WeakPolarHBondContact O-CB 3.3Å; R524-A528 PolarHBondContact O-N 3.31Å
525	T	94.5	Very high	91.8	Very high	59 Å²	59	81.4 Å²	81.4	36%	0.362	42%	0.417	S	S	.	.	H	α-helix	trans	-70.1	-45.2	-179.6	-56.9	0	0	0	0	111.1	L521 I522 N527 A528 E529	L521-T525 WeakPolarHBondContact O-CB 3.42Å; L521-T525 PolarHBondContact O-N 2.83Å; L521-T525 PolarHBondContact O-OG1 3.3Å; I522-T525 PolarHBondContact O-N 3.4Å; I522-T525 VanDerWaalsContact O-N 3.15Å; T525-N527 VanDerWaalsContact C-N 3.35Å; T525-N527 PolarHBondContact O-N 3.09Å; T525-A528 PolarHBondContact O-N 2.91Å; T525-A528 VanDerWaalsContact O-N 3.15Å; T525-E529 PolarHBondContact O-N 2.84Å
526	Q	95.1	Very high	91.2	Very high	102 Å²	102	79.1 Å²	79.1	48%	0.477	41%	0.405	S	S	.	.	H	α-helix	trans	-60	-43.2	174.3	-71.6	172.7	-28.9	0	0	111.7	I522 A528 E529 Q530	I522-Q526 WeakPolarHBondContact O-CG 3.27Å; I522-Q526 PolarHBondContact O-N 2.8Å; Q526-A528 VanDerWaalsContact C-N 3.34Å; Q526-A528 PolarHBondContact O-N 2.92Å; Q526-E529 PolarHBondContact O-N 3.08Å; Q526-Q530 WeakPolarHBondContact O-CG 3.44Å; Q526-Q530 PolarHBondContact O-N 3.22Å
527	N	93.3	Very high	90.4	Very high	94 Å²	94	77.4 Å²	77.4	50%	0.503	39%	0.393	S	S	.	.	H	α-helix	trans	-65.1	-35.9	175.2	-71.9	-17.1	0	0	0	112.5	T523 T525 N531	T523-N527 WeakPolarHBondContact O-CB 3.44Å; T523-N527 PolarHBondContact O-N 3.4Å; T523-N527 PolarHBondContact O-ND2 3.02Å; T525-N527 VanDerWaalsContact C-N 3.35Å; T525-N527 PolarHBondContact O-N 3.09Å; N527-N531 WeakPolarHBondContact O-CB 3.4Å; N527-N531 VanDerWaalsContact O-CG 3.23Å; N527-N531 PolarHBondContact O-N 3.07Å; N527-N531 VanDerWaalsContact O-N 3.15Å; N527-N531 PolarHBondContact O-ND2 3.29Å
528	A	91.8	Very high	89.4	Confident	21 Å²	21	80.6 Å²	80.6	17%	0.174	40%	0.404	C	S	.	.	H	α-helix	trans	-68.1	-39.5	175.2	0	0	0	0	0	112.3	L498 R524 T525 Q526 F532	L498-A528 HydrophobicContact CD2-CB 3.63Å; R524-A528 WeakPolarHBondContact O-CB 3.3Å; R524-A528 PolarHBondContact O-N 3.31Å; T525-A528 PolarHBondContact O-N 2.91Å; T525-A528 VanDerWaalsContact O-N 3.15Å; Q526-A528 VanDerWaalsContact C-N 3.34Å; Q526-A528 PolarHBondContact O-N 2.92Å; A528-F532 WeakPolarHBondContact O-CB 3.5Å; A528-F532 PolarHBondContact O-N 2.68Å
529	E	93.3	Very high	88.1	Confident	110 Å²	110	81 Å²	81	51%	0.514	41%	0.405	S	S	.	.	H	α-helix	trans	-60.9	-50.2	174	177.3	179.6	-142.3	0	0	111.8	T525 Q526 N531 F532 I533	T525-E529 PolarHBondContact O-N 2.84Å; Q526-E529 PolarHBondContact O-N 3.08Å; E529-N531 PolarHBondContact O-N 3.37Å; E529-F532 WeakPolarHBondContact O-CB 3.38Å; E529-F532 PolarHBondContact O-N 3.25Å; E529-F532 VanDerWaalsContact O-N 3.09Å; E529-I533 HydrophobicContact CG-CD1 3.96Å; E529-I533 WeakPolarHBondContact O-CG1 3.49Å; E529-I533 PolarHBondContact O-N 2.84Å
530	Q	91.5	Very high	86.4	Confident	115 Å²	115	78.6 Å²	78.6	54%	0.537	40%	0.402	S	S	.	.	H	α-helix	trans	-60.1	-44.7	178.8	-68.3	-61.6	-40.3	0	0	112.1	Q526 F532 I533 Q534	Q526-Q530 WeakPolarHBondContact O-CG 3.44Å; Q526-Q530 PolarHBondContact O-N 3.22Å; Q530-F532 VanDerWaalsContact C-N 3.3Å; Q530-F532 PolarHBondContact O-N 3.22Å; Q530-I533 PolarHBondContact O-N 2.84Å; Q530-Q534 WeakPolarHBondContact O-CB 3.37Å; Q530-Q534 PolarHBondContact O-N 3.18Å
531	N	88.2	Confident	84.5	Confident	87 Å²	87	82.8 Å²	82.8	47%	0.465	41%	0.412	S	S	.	.	H	α-helix	trans	-60.6	-38.2	174.4	-72.4	-39.3	0	0	0	112.2	N527 E529 E535	N527-N531 WeakPolarHBondContact O-CB 3.4Å; N527-N531 VanDerWaalsContact O-CG 3.23Å; N527-N531 PolarHBondContact O-N 3.07Å; N527-N531 VanDerWaalsContact O-N 3.15Å; N527-N531 PolarHBondContact O-ND2 3.29Å; E529-N531 PolarHBondContact O-N 3.37Å; N531-E535 PolarHBondContact O-N 2.67Å; N531-E535 VanDerWaalsContact O-N 3.11Å
532	F	88.8	Confident	82.6	Confident	61 Å²	61	83.7 Å²	83.7	27%	0.268	42%	0.418	S	S	.	.	H	α-helix	trans	-67.5	-41.9	178.7	-163.2	-95.4	0	0	0	112.1	L491 L492 A528 E529 Q530 L536	L491-F532 HydrophobicContact CD2-CD2 4.29Å; L491-F532 HydrophobicContact CG-CD2 4.06Å; L492-F532 HydrophobicContact CB-CE2 4.27Å; L492-F532 HydrophobicContact CD1-CE2 4.04Å; L492-F532 HydrophobicContact CD1-CZ 4.15Å; A528-F532 WeakPolarHBondContact O-CB 3.5Å; A528-F532 PolarHBondContact O-N 2.68Å; E529-F532 WeakPolarHBondContact O-CB 3.38Å; E529-F532 PolarHBondContact O-N 3.25Å; E529-F532 VanDerWaalsContact O-N 3.09Å; Q530-F532 VanDerWaalsContact C-N 3.3Å; Q530-F532 PolarHBondContact O-N 3.22Å; F532-L536 HydrophobicContact CD1-CD1 3.77Å; F532-L536 HydrophobicContact CE1-CD1 3.48Å; F532-L536 VanDerWaalsContact CE1-CD1 3.48Å; F532-L536 HydrophobicContact CE1-CG 4.38Å; F532-L536 HydrophobicContact CZ-CD1 4.22Å; F532-L536 WeakPolarHBondContact O-CG 3.46Å; F532-L536 PolarHBondContact O-N 2.99Å
533	I	87.7	Confident	80.3	Confident	69 Å²	69	84 Å²	84	35%	0.354	42%	0.421	S	S	.	.	H	α-helix	trans	-63.9	-47.2	174.8	-66.7	166.8	0	0	0	110.6	E529 Q530 L536 Q537	E529-I533 HydrophobicContact CG-CD1 3.96Å; E529-I533 WeakPolarHBondContact O-CG1 3.49Å; E529-I533 PolarHBondContact O-N 2.84Å; Q530-I533 PolarHBondContact O-N 2.84Å; I533-L536 PolarHBondContact O-N 2.88Å; I533-Q537 WeakPolarHBondContact O-CG 3.28Å; I533-Q537 PolarHBondContact O-N 3.46Å
534	Q	85.7	Confident	78	Confident	114 Å²	114	87.3 Å²	87.3	53%	0.533	44%	0.436	S	S	.	.	H	α-helix	trans	-60.6	-48.2	-178	-175.2	176.2	9.1	0	0	112.2	Q530 L536 Q537 H538	Q530-Q534 WeakPolarHBondContact O-CB 3.37Å; Q530-Q534 PolarHBondContact O-N 3.18Å; Q534-L536 PolarHBondContact O-N 3.19Å; Q534-Q537 PolarHBondContact O-N 2.96Å; Q534-H538 PolarHBondContact O-N 3.43Å
535	E	82.8	Confident	75.7	Confident	59 Å²	59	85.1 Å²	85.1	28%	0.276	43%	0.432	S	S	.	.	H	α-helix	trans	-69.1	-36	-176.7	-156.9	77.9	158.2	0	0	111.7	R487 L491 N531 H538 T539	R487-E535 WeakPolarHBondContact CD-OE1 3.36Å; R487-E535 IonicContact NE-OE1 2.71Å; L491-E535 HydrophobicContact CD2-CB 3.47Å; L491-E535 VanDerWaalsContact CD2-CB 3.47Å; L491-E535 HydrophobicContact CD2-CG 3.95Å; N531-E535 PolarHBondContact O-N 2.67Å; N531-E535 VanDerWaalsContact O-N 3.11Å; E535-H538 WeakPolarHBondContact O-CB 3.38Å; E535-H538 PolarHBondContact O-N 3.49Å; E535-T539 PolarHBondContact O-N 3.2Å
536	L	79.5	Confident	73.5	Confident	69 Å²	69	87.7 Å²	87.7	36%	0.361	45%	0.448	S	S	.	.	H	α-helix	trans	-64.3	-42.6	173.7	-75	179	0	0	0	112.3	V488 F532 I533 Q534 H538 T539 S540	V488-L536 HydrophobicContact CG1-CD2 4.15Å; F532-L536 HydrophobicContact CD1-CD1 3.77Å; F532-L536 HydrophobicContact CE1-CD1 3.48Å; F532-L536 VanDerWaalsContact CE1-CD1 3.48Å; F532-L536 HydrophobicContact CE1-CG 4.38Å; F532-L536 HydrophobicContact CZ-CD1 4.22Å; F532-L536 WeakPolarHBondContact O-CG 3.46Å; F532-L536 PolarHBondContact O-N 2.99Å; I533-L536 PolarHBondContact O-N 2.88Å; Q534-L536 PolarHBondContact O-N 3.19Å; L536-H538 VanDerWaalsContact C-N 3.26Å; L536-H538 PolarHBondContact O-N 3.05Å; L536-T539 PolarHBondContact O-N 3.36Å; L536-T539 PolarHBondContact O-OG1 3.02Å; L536-S540 PolarHBondContact O-N 3.15Å; L536-S540 VanDerWaalsContact O-N 3.12Å; L536-S540 PolarHBondContact O-OG 2.98Å
537	Q	75.6	Confident	71	Confident	118 Å²	118	85.4 Å²	85.4	55%	0.551	45%	0.451	S	S	*	.	H	α-helix	trans	-59.8	-40	172	-72	174.7	-0.3	0	0	111	I533 Q534 T539 S540 F541	I533-Q537 WeakPolarHBondContact O-CG 3.28Å; I533-Q537 PolarHBondContact O-N 3.46Å; Q534-Q537 PolarHBondContact O-N 2.96Å; Q537-T539 VanDerWaalsContact C-N 3.34Å; Q537-T539 PolarHBondContact O-N 3.45Å; Q537-S540 VanDerWaalsContact O-CB 3.29Å; Q537-S540 WeakPolarHBondContact O-CB 3.47Å; Q537-S540 PolarHBondContact O-N 3.32Å; Q537-F541 PolarHBondContact O-N 3.44Å
538	H	70.8	Confident	68.7	Low	126 Å²	126	82.8 Å²	82.8	58%	0.583	44%	0.441	S	S	*	.	H	α-helix	trans	-65	-34.1	177.1	-130.5	-54.5	0	0	0	113.5	Q534 E535 L536 S540	Q534-H538 PolarHBondContact O-N 3.43Å; E535-H538 WeakPolarHBondContact O-CB 3.38Å; E535-H538 PolarHBondContact O-N 3.49Å; L536-H538 VanDerWaalsContact C-N 3.26Å; L536-H538 PolarHBondContact O-N 3.05Å; H538-S540 VanDerWaalsContact C-N 3.29Å
539	T	66.2	Low	66.4	Low	30 Å²	30	87.8 Å²	87.8	18%	0.184	46%	0.464	C	S	.	.	H	α-helix	trans	-77.4	-8.3	170.9	61.4	0	0	0	0	114.7	Q484 V488 E535 L536 Q537 T542 N543	Q484-T539 HydrophobicContact CB-CG2 4.43Å; V488-T539 HydrophobicContact CG2-CG2 3.77Å; E535-T539 PolarHBondContact O-N 3.2Å; L536-T539 PolarHBondContact O-N 3.36Å; L536-T539 PolarHBondContact O-OG1 3.02Å; Q537-T539 VanDerWaalsContact C-N 3.34Å; Q537-T539 PolarHBondContact O-N 3.45Å; T539-T542 PolarHBondContact O-OG1 3.38Å; T539-T542 VanDerWaalsContact O-OG1 3.06Å; T539-N543 PolarHBondContact O-ND2 3.37Å
540	S	57.6	Low	64	Low	70 Å²	70	88.7 Å²	88.7	49%	0.49	47%	0.471	S	S	.	.	H	α-helix	trans	-79.4	-47.6	175.9	-57.6	0	0	0	0	110.5	L536 Q537 H538 T542 N543	L536-S540 PolarHBondContact O-N 3.15Å; L536-S540 VanDerWaalsContact O-N 3.12Å; L536-S540 PolarHBondContact O-OG 2.98Å; Q537-S540 VanDerWaalsContact O-CB 3.29Å; Q537-S540 WeakPolarHBondContact O-CB 3.47Å; Q537-S540 PolarHBondContact O-N 3.32Å; H538-S540 VanDerWaalsContact C-N 3.29Å; S540-T542 PolarHBondContact O-N 3.16Å; S540-N543 PolarHBondContact O-N 2.93Å
541	F	54.1	Low	61.6	Low	159 Å²	159	86 Å²	86	70%	0.697	47%	0.466	S	S	*	.	H	α-helix	trans	-62	-22.3	-179.7	-91.2	-83.6	0	0	0	115	Q537 N543	Q537-F541 PolarHBondContact O-N 3.44Å; F541-N543 VanDerWaalsContact C-N 3.26Å; F541-N543 PolarHBondContact O-N 3.46Å
542	T	52.4	Low	59.4	Low	37 Å²	37	86.9 Å²	86.9	23%	0.227	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-16.5	178.9	50.6	0	0	0	0	113.4	Q484 T539 S540	Q484-T542 PolarHBondContact OE1-OG1 3.47Å; T539-T542 PolarHBondContact O-OG1 3.38Å; T539-T542 VanDerWaalsContact O-OG1 3.06Å; S540-T542 PolarHBondContact O-N 3.16Å
543	N	48.3	Very low	57.2	Low	88 Å²	88	87.8 Å²	87.8	47%	0.471	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-28.2	-177.6	-66.9	-58.3	0	0	0	113.9	T539 S540 F541 I545 T546	T539-N543 PolarHBondContact O-ND2 3.37Å; S540-N543 PolarHBondContact O-N 2.93Å; F541-N543 VanDerWaalsContact C-N 3.26Å; F541-N543 PolarHBondContact O-N 3.46Å; N543-I545 PolarHBondContact O-N 3.15Å; N543-I545 VanDerWaalsContact O-N 3.14Å; N543-T546 WeakPolarHBondContact O-CB 3.4Å; N543-T546 VanDerWaalsContact O-CG2 3.3Å; N543-T546 WeakPolarHBondContact O-CG2 3.3Å; N543-T546 PolarHBondContact O-N 3.08Å; N543-T546 PolarHBondContact O-OG1 3.32Å
544	D	46.2	Very low	54.9	Low	126 Å²	126	89.9 Å²	89.9	67%	0.674	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-65.3	-16.6	175.5	-72.8	-34.5	0	0	0	112.9	T546 G547	D544-T546 PolarHBondContact O-N 3.04Å; D544-G547 PolarHBondContact O-N 3.13Å; D544-G547 VanDerWaalsContact O-N 3.09Å
545	I	46.9	Very low	52.5	Low	74 Å²	74	87.7 Å²	87.7	38%	0.379	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-66.1	-4	172.3	-46.2	175.6	0	0	0	111.3	R477 N543 G547 S548	R477-I545 VanDerWaalsContact NH2-CB 3.31Å; N543-I545 PolarHBondContact O-N 3.15Å; N543-I545 VanDerWaalsContact O-N 3.14Å; I545-G547 PolarHBondContact O-N 2.96Å; I545-S548 WeakPolarHBondContact O-CB 3.31Å; I545-S548 PolarHBondContact O-N 3.5Å
546	T	47.2	Very low	50.3	Low	113 Å²	113	90.5 Å²	90.5	69%	0.693	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-55.9	-28.5	163.6	44.3	0	0	0	0	113.1	N543 D544 S548	N543-T546 WeakPolarHBondContact O-CB 3.4Å; N543-T546 VanDerWaalsContact O-CG2 3.3Å; N543-T546 WeakPolarHBondContact O-CG2 3.3Å; N543-T546 PolarHBondContact O-N 3.08Å; N543-T546 PolarHBondContact O-OG1 3.32Å; D544-T546 PolarHBondContact O-N 3.04Å; T546-S548 PolarHBondContact O-N 2.89Å
547	G	43.2	Very low	48.1	Very low	53 Å²	53	92.2 Å²	92.2	55%	0.546	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-69.4	-15.9	170.7	0	0	0	0	0	114.8	D544 I545 L549 L550	D544-G547 PolarHBondContact O-N 3.13Å; D544-G547 VanDerWaalsContact O-N 3.09Å; I545-G547 PolarHBondContact O-N 2.96Å; G547-L549 PolarHBondContact O-N 3.15Å; G547-L550 PolarHBondContact O-N 3.27Å
548	S	45.1	Very low	46.1	Very low	40 Å²	40	95.5 Å²	95.5	28%	0.28	55%	0.553	S	S	.	*	H	α-helix	trans	-78.5	-15.5	-170.4	-161.1	0	0	0	0	114.5	I545 T546 L550 S551 L552	I545-S548 WeakPolarHBondContact O-CB 3.31Å; I545-S548 PolarHBondContact O-N 3.5Å; T546-S548 PolarHBondContact O-N 2.89Å; S548-L550 PolarHBondContact O-N 3.31Å; S548-S551 WeakPolarHBondContact O-CA 3.37Å; S548-S551 WeakPolarHBondContact O-CB 3.33Å; S548-S551 PolarHBondContact O-N 2.96Å; S548-L552 PolarHBondContact O-N 3.42Å
549	L	43	Very low	44.1	Very low	126 Å²	126	96.8 Å²	96.8	66%	0.66	57%	0.565	S	S	*	*	H	α-helix	trans	-64.3	-27.3	173.6	-80.6	167.4	0	0	0	112.5	G547	G547-L549 PolarHBondContact O-N 3.15Å
550	L	42.7	Very low	42.2	Very low	128 Å²	128	106.3 Å²	106.3	67%	0.67	60%	0.599	S	S	*	*	H	α-helix	trans	-70.5	-34.6	171	-161.2	72.2	0	0	0	111.5	G547 S548 L554	G547-L550 PolarHBondContact O-N 3.27Å; S548-L550 PolarHBondContact O-N 3.31Å; L550-L554 HydrophobicContact CG-CD1 4.49Å; L550-L554 WeakPolarHBondContact O-CD1 3.14Å; L550-L554 VanDerWaalsContact O-CG 3.31Å; L550-L554 WeakPolarHBondContact O-CG 3.38Å
551	S	42.4	Very low	40.9	Very low	60 Å²	60	108 Å²	108	42%	0.42	61%	0.611	S	S	.	*	H	α-helix	trans	-72.5	-46.8	179.9	-175.3	0	0	0	0	112.5	S548 A553 L554 S555	S548-S551 WeakPolarHBondContact O-CA 3.37Å; S548-S551 WeakPolarHBondContact O-CB 3.33Å; S548-S551 PolarHBondContact O-N 2.96Å; S551-A553 VanDerWaalsContact C-N 3.3Å; S551-A553 PolarHBondContact O-N 2.66Å; S551-L554 CarbonylContact O-C 3.49Å; S551-L554 PolarHBondContact O-N 2.9Å; S551-S555 VanDerWaalsContact O-CB 3.32Å; S551-S555 WeakPolarHBondContact O-CB 3.38Å; S551-S555 PolarHBondContact O-N 3.27Å; S551-S555 PolarHBondContact O-OG 3.41Å; S551-S555 PolarHBondContact OG-OG 3.35Å
552	L	41.8	Very low	39.9	Very low	105 Å²	105	108.9 Å²	108.9	55%	0.55	62%	0.617	S	S	.	*	H	α-helix	trans	-67.4	-28	-178.1	-83.5	160.8	0	0	0	113.3	S548 L554	S548-L552 PolarHBondContact O-N 3.42Å; L552-L554 PolarHBondContact O-N 2.93Å
553	A	41.4	Very low	38.7	Very low	80 Å²	80	115.9 Å²	115.9	66%	0.661	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-12.3	170.7	0	0	0	0	0	114	S551	S551-A553 VanDerWaalsContact C-N 3.3Å; S551-A553 PolarHBondContact O-N 2.66Å
554	L	40.6	Very low	37.7	Very low	112 Å²	112	117.2 Å²	117.2	59%	0.586	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.2	-6.3	-176.5	-65.5	174.6	0	0	0	113.8	L550 S551 L552	L550-L554 HydrophobicContact CG-CD1 4.49Å; L550-L554 WeakPolarHBondContact O-CD1 3.14Å; L550-L554 VanDerWaalsContact O-CG 3.31Å; L550-L554 WeakPolarHBondContact O-CG 3.38Å; S551-L554 CarbonylContact O-C 3.49Å; S551-L554 PolarHBondContact O-N 2.9Å; L552-L554 PolarHBondContact O-N 2.93Å
555	S	34.1	Very low	37	Very low	68 Å²	68	117.2 Å²	117.2	48%	0.476	67%	0.669	S	S	.	*			trans	-98.2	-0.9	-168.7	-63.9	0	0	0	0	115.8	S551 S557	S551-S555 VanDerWaalsContact O-CB 3.32Å; S551-S555 WeakPolarHBondContact O-CB 3.38Å; S551-S555 PolarHBondContact O-N 3.27Å; S551-S555 PolarHBondContact O-OG 3.41Å; S551-S555 PolarHBondContact OG-OG 3.35Å; S555-S557 PolarHBondContact O-N 2.82Å
556	S	38	Very low	36.3	Very low	119 Å²	119	123.5 Å²	123.5	83%	0.832	69%	0.694	S	S	*	*			trans	-82.9	53.6	170.4	-66.5	0	0	0	0	112.4
557	S	33.2	Very low	35.3	Very low	104 Å²	104	127.9 Å²	127.9	73%	0.727	70%	0.704	S	S	*	*	S	Bend	trans	-150.3	54	171.1	-157.1	0	0	0	0	111.7	S555	S555-S557 PolarHBondContact O-N 2.82Å
558	K	32.3	Very low	34.5	Very low	187 Å²	187	137.3 Å²	137.3	81%	0.813	72%	0.723	S	S	*	*			trans	-170.6	109.1	162.7	-104.9	152.3	-173.2	173.2	0	108.8
559	D	29.3	Very low	33.7	Very low	154 Å²	154	141 Å²	141	82%	0.824	74%	0.743	S	S	*	*			trans	163.2	71.2	136	-83.3	-4.7	0	0	0	111.3
560	Y	27.1	Very low	32.8	Very low	229 Å²	229	142.7 Å²	142.7	90%	0.898	75%	0.753	S	S	*	*			trans	-133.3	84.2	154.2	-104.6	-87	0	0	0	108.7
561	S	28.9	Very low	32.2	Very low	107 Å²	107	146 Å²	146	75%	0.748	76%	0.762	S	S	*	*			trans	-152.8	119.2	171.9	-172.7	0	0	0	0	111.3
562	H	33.3	Very low	31.3	Very low	177 Å²	177	147.8 Å²	147.8	82%	0.819	77%	0.774	S	S	*	*			trans	53.3	105.4	166.1	-78.2	-78.5	0	0	0	121	S564	H562-S564 PolarHBondContact O-N 2.86Å
563	H	27.9	Very low	30.8	Very low	184 Å²	184	149.4 Å²	149.4	85%	0.852	79%	0.788	S	S	*	*			trans	-51.6	119.1	142.8	-105.5	-82.5	0	0	0	111.7
564	S	27.6	Very low	30.1	Very low	115 Å²	115	153.6 Å²	153.6	80%	0.804	79%	0.794	S	S	*	*			trans	178.7	109.7	139.6	-86.7	0	0	0	0	113	H562	H562-S564 PolarHBondContact O-N 2.86Å
565	P	31.4	Very low	29.4	Very low	126 Å²	126	156.9 Å²	156.9	82%	0.818	81%	0.807	S	S	*	*			trans	-85.8	120.1	176	32.4	-32	0	0	0	112.2
566	K	30.8	Very low	29.2	Very low	207 Å²	207	161.9 Å²	161.9	90%	0.9	83%	0.826	S	S	*	*			trans	-131.2	122.3	162.3	-79.5	-174.4	177.4	173.1	0	111.4
567	K	26.1	Very low	28.7	Very low	205 Å²	205	162 Å²	162	89%	0.891	83%	0.827	S	S	*	*			trans	-67.1	142.3	178.6	-60	173	178.2	177.1	0	111.6
568	R	28.4	Very low	28.5	Very low	250 Å²	250	160.3 Å²	160.3	94%	0.943	83%	0.826	S	S	*	*			trans	-157.2	168.9	138.7	-116.3	168.2	-179.4	161	0.4	111.2
569	T	26.4	Very low	28.5	Very low	117 Å²	117	161.1 Å²	161.1	72%	0.718	83%	0.829	S	S	*	*			trans	-138.8	150.9	-153	-23.8	0	0	0	0	111.3
570	L	25.3	Very low	28.3	Very low	163 Å²	163	163.8 Å²	163.8	85%	0.853	83%	0.829	S	S	*	*			trans	66.5	141.4	168.6	-67.6	149.6	0	0	0	114.2
571	K	29.6	Very low	28.6	Very low	198 Å²	198	159 Å²	159	86%	0.861	82%	0.819	S	S	*	*			cis	-157.7	171.4	48.4	-133.7	173.6	-171	-174.2	0	112.9
572	S	24	Very low	28.6	Very low	96 Å²	96	160.9 Å²	160.9	67%	0.671	82%	0.821	S	S	*	*			trans	-93.4	159.1	173.2	51	0	0	0	0	113.4
573	T	30.8	Very low	28.6	Very low	139 Å²	139	157.6 Å²	157.6	85%	0.853	82%	0.824	S	S	*	*			trans	-163.9	166.9	137.9	18.2	0	0	0	0	110.6
574	E	27.3	Very low	28.6	Very low	168 Å²	168	154 Å²	154	79%	0.785	83%	0.826	S	S	*	*			trans	-107.5	173.2	-160.2	-65	134.5	123.2	0	0	115.8
575	E	25.2	Very low	28.8	Very low	182 Å²	182	152.1 Å²	152.1	85%	0.85	83%	0.826	S	S	*	*			trans	56	135	148.9	-77.1	-177.3	175.8	0	0	122.8
576	I	31.1	Very low	28.9	Very low	172 Å²	172	154.1 Å²	154.1	88%	0.882	83%	0.829	S	S	*	*				-158.5	139.4	109.7	-98.5	155.9	0	0	0	109.4
577	S	25.9	Very low	28.9	Very low	123 Å²	123	148.9 Å²	148.9	86%	0.86	82%	0.824	S	S	*	*			trans	-106.3	144.5	175.8	179.6	0	0	0	0	111.1
578	G	30.7	Very low	28.9	Very low	67 Å²	67	143.1 Å²	143.1	69%	0.691	82%	0.823	S	S	*	*			trans	-160.1	63.3	-163.5	0	0	0	0	0	119
579	K	32	Very low	28.9	Very low	205 Å²	205	134.6 Å²	134.6	89%	0.891	81%	0.814	S	S	*	*			trans	77.2	119.5	150.7	-61.2	-179.2	177.2	177	0	121.4
580	Y	24.9	Very low	28.9	Very low	210 Å²	210	135.6 Å²	135.6	82%	0.824	82%	0.819	S	S	*	*			trans	-47.4	161.8	144.5	-70.6	-107.3	0	0	0	112.2
581	N	32.9	Very low	29.1	Very low	129 Å²	129	132.6 Å²	132.6	69%	0.69	81%	0.812	S	S	*	*				-169.7	144.8	50.1	-128	-20.7	0	0	0	114.5
582	N	29.3	Very low	29.1	Very low	145 Å²	145	130 Å²	130	78%	0.775	81%	0.813	S	S	*	*			trans	27.5	132.4	144.8	-59.5	-13.5	0	0	0	123.6
583	A	32.4	Very low	29.5	Very low	108 Å²	108	130 Å²	130	89%	0.893	81%	0.813	S	S	*	*				-141.4	143.8	127.8	0	0	0	0	0	109.5
584	A	28.9	Very low	29.7	Very low	108 Å²	108	129.3 Å²	129.3	89%	0.893	80%	0.804	S	S	*	*			trans	-142	147.2	-178.6	0	0	0	0	0	111.9
585	G	32.1	Very low	30	Very low	77 Å²	77	132 Å²	132	79%	0.794	81%	0.807	S	S	*	*			trans	130.5	142.6	-175.1	0	0	0	0	0	110.8
586	N	32.6	Very low	30.3	Very low	168 Å²	168	129.9 Å²	129.9	90%	0.898	80%	0.801	S	S	*	*			cis	-141.6	168.6	-1.4	-166.6	12.9	0	0	0	110.1
587	A	30.2	Very low	30.4	Very low	96 Å²	96	127 Å²	127	79%	0.793	79%	0.787	S	S	*	*			trans	-87.2	156.3	-169.6	0	0	0	0	0	115.3
588	G	27	Very low	30.9	Very low	84 Å²	84	128.9 Å²	128.9	87%	0.866	78%	0.78	S	S	*	*			trans	154.6	140.4	163.1	0	0	0	0	0	114.2
589	G	28	Very low	31	Very low	72 Å²	72	129.9 Å²	129.9	74%	0.742	77%	0.773	S	S	*	*			trans	108.4	69	162.2	0	0	0	0	0	118.7
590	T	26.4	Very low	30.9	Very low	137 Å²	137	126.1 Å²	126.1	84%	0.84	76%	0.761	S	S	*	*			trans	14.4	110.2	138.9	52.2	0	0	0	0	120.1
591	S	29.2	Very low	31.4	Very low	100 Å²	100	121.4 Å²	121.4	70%	0.699	75%	0.751	S	S	*	*			trans	174.5	92.3	133.5	-82.8	0	0	0	0	113
592	T	30.1	Very low	31.5	Very low	145 Å²	145	120.8 Å²	120.8	89%	0.89	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-82.9	-7	179.8	31.4	0	0	0	0	115.3
593	S	32.4	Very low	31.6	Very low	94 Å²	94	120.7 Å²	120.7	66%	0.657	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-79.8	-19.4	-175.5	-57.8	0	0	0	0	115.7	R595	S593-R595 VanDerWaalsContact C-N 3.34Å; S593-R595 PolarHBondContact O-N 3.29Å
594	N	35.3	Very low	31.6	Very low	125 Å²	125	118.4 Å²	118.4	67%	0.668	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-85.2	7.2	-169.8	-77	-7.8	0	0	0	115.7
595	R	34.3	Very low	31.9	Very low	226 Å²	226	118.3 Å²	118.3	85%	0.853	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-98.5	-11.6	178.8	-98.7	-172	175.9	-166.4	-1.4	115.9	S593	S593-R595 VanDerWaalsContact C-N 3.34Å; S593-R595 PolarHBondContact O-N 3.29Å
596	L	31.9	Very low	32.5	Very low	136 Å²	136	119 Å²	119	71%	0.712	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-42.6	178.3	-83.7	161.5	0	0	0	113.1	K598 T599	L596-K598 VanDerWaalsContact C-N 3.31Å; L596-K598 PolarHBondContact O-N 3.18Å; L596-T599 PolarHBondContact O-N 2.72Å
597	N	31.3	Very low	33	Very low	112 Å²	112	114.3 Å²	114.3	60%	0.599	69%	0.686	S	S	*	*	H	α-helix	trans	-62.5	-38.2	-177.4	-66.4	9.6	0	0	0	112.4	T599 L600 D601	N597-T599 PolarHBondContact O-N 3.32Å; N597-L600 PolarHBondContact O-N 3.44Å; N597-D601 PolarHBondContact O-N 2.92Å
598	K	36.7	Very low	33.6	Very low	163 Å²	163	114.7 Å²	114.7	71%	0.709	68%	0.678	S	S	*	*	H	α-helix	trans	-67.2	-8	-178.9	-146.4	171.6	-171.1	176.2	0	114.3	L596	L596-K598 VanDerWaalsContact C-N 3.31Å; L596-K598 PolarHBondContact O-N 3.18Å
599	T	32.5	Very low	34.5	Very low	88 Å²	88	113.7 Å²	113.7	54%	0.54	65%	0.653	S	S	.	*	H	α-helix	trans	-93.5	-20.5	172.9	-44.9	0	0	0	0	112.2	L596 N597	L596-T599 PolarHBondContact O-N 2.72Å; N597-T599 PolarHBondContact O-N 3.32Å
600	L	30.9	Very low	35.3	Very low	125 Å²	125	113 Å²	113	65%	0.654	64%	0.64	S	S	*	*	H	α-helix	trans	-78.9	-40.6	175.7	-108.2	64.8	0	0	0	112.1	N597 L602 L603	N597-L600 PolarHBondContact O-N 3.44Å; L600-L602 PolarHBondContact O-N 3.47Å; L600-L603 PolarHBondContact O-N 3.03Å
601	D	35.4	Very low	36.2	Very low	112 Å²	112	111.4 Å²	111.4	60%	0.599	63%	0.626	S	S	*	*	H	α-helix	trans	-58.4	-32.5	-179.6	-61.7	-38.4	0	0	0	112.8	N597 L603 G604	N597-D601 PolarHBondContact O-N 2.92Å; D601-L603 PolarHBondContact O-N 3.09Å; D601-G604 PolarHBondContact O-N 3.26Å
602	L	34.8	Very low	36.9	Very low	116 Å²	116	111.1 Å²	111.1	61%	0.607	62%	0.616	S	S	*	*	H	α-helix	trans	-69.3	-16.1	178.7	-82.3	164.3	0	0	0	114.4	L600 N606	L600-L602 PolarHBondContact O-N 3.47Å; L602-N606 PolarHBondContact O-ND2 3.28Å
603	L	31.2	Very low	37.8	Very low	143 Å²	143	110.1 Å²	110.1	75%	0.749	60%	0.596	S	S	*	*	H	α-helix	trans	-90.5	-17.6	177.6	-67	169.4	0	0	0	113.1	L600 D601	L600-L603 PolarHBondContact O-N 3.03Å; D601-L603 PolarHBondContact O-N 3.09Å
604	G	32.4	Very low	38.4	Very low	59 Å²	59	107.2 Å²	107.2	61%	0.608	58%	0.577	S	S	*	*	H	α-helix	trans	-84.9	-29.4	-175.6	0	0	0	0	0	115.5	D601	D601-G604 PolarHBondContact O-N 3.26Å
605	V	36.5	Very low	39.1	Very low	106 Å²	106	105.2 Å²	105.2	64%	0.642	57%	0.566	S	S	*	*	S	Bend	trans	-100.2	-21.9	-164	-170.6	0	0	0	0	113.7
606	N	43.8	Very low	39.7	Very low	93 Å²	93	97.1 Å²	97.1	50%	0.497	54%	0.539	S	S	.	.	H	α-helix	trans	-89.5	-1.7	-164.7	-71.4	-59.8	0	0	0	116	L602 A610	L602-N606 PolarHBondContact O-ND2 3.28Å; N606-A610 WeakPolarHBondContact O-CB 3.16Å; N606-A610 PolarHBondContact O-N 3.5Å
607	S	42.8	Very low	40.6	Very low	69 Å²	69	95 Å²	95	48%	0.483	53%	0.528	S	S	.	.	H	α-helix	trans	-77.6	-50.6	178.1	55	0	0	0	0	112.3	I611	S607-I611 WeakPolarHBondContact O-CB 3.45Å; S607-I611 WeakPolarHBondContact O-CD1 3.47Å; S607-I611 VanDerWaalsContact O-CG1 3.26Å; S607-I611 WeakPolarHBondContact O-CG1 3.42Å; S607-I611 PolarHBondContact O-N 3.46Å
608	V	43.1	Very low	41.2	Very low	103 Å²	103	91.1 Å²	91.1	62%	0.624	51%	0.507	S	S	*	.	H	α-helix	trans	-64.7	-46.9	-177.5	-179.7	0	0	0	0	110.9	A610 I611 L612	V608-A610 PolarHBondContact O-N 2.96Å; V608-I611 CarbonylContact O-C 3.58Å; V608-I611 PolarHBondContact O-N 3.31Å; V608-L612 WeakPolarHBondContact O-CB 3.47Å; V608-L612 PolarHBondContact O-N 3.03Å
609	D	45.4	Very low	41.7	Very low	63 Å²	63	85.7 Å²	85.7	34%	0.337	50%	0.498	S	S	.	.	H	α-helix	trans	-69.2	-34.9	-178.2	-171.5	65.3	0	0	0	112.6	L612 R613	D609-L612 PolarHBondContact O-N 2.79Å; D609-R613 WeakPolarHBondContact O-CG 3.17Å; D609-R613 PolarHBondContact O-N 3.47Å; D609-R613 IonicContact OD2-CZ 2.74Å; D609-R613 IonicContact OD2-NE 3.32Å; D609-R613 PolarHBondContact OD2-NE 3.35Å; D609-R613 IonicContact OD2-NH2 3.59Å; D609-R613 PolarHBondContact OD2-NH2 3.4Å
610	A	44.6	Very low	42	Very low	58 Å²	58	88 Å²	88	48%	0.479	51%	0.507	S	S	.	.	H	α-helix	trans	-65.8	-37.3	171.1	0	0	0	0	0	112.3	N606 V608 A614	N606-A610 WeakPolarHBondContact O-CB 3.16Å; N606-A610 PolarHBondContact O-N 3.5Å; V608-A610 PolarHBondContact O-N 2.96Å; A610-A614 WeakPolarHBondContact O-CB 3.41Å; A610-A614 PolarHBondContact O-N 3.43Å
611	I	45.3	Very low	42.5	Very low	104 Å²	104	90.6 Å²	90.6	53%	0.533	52%	0.515	S	S	.	.	H	α-helix	trans	-67.6	-40.7	173.3	-71	166.4	0	0	0	110.7	S607 V608 A614 I615	S607-I611 WeakPolarHBondContact O-CB 3.45Å; S607-I611 WeakPolarHBondContact O-CD1 3.47Å; S607-I611 VanDerWaalsContact O-CG1 3.26Å; S607-I611 WeakPolarHBondContact O-CG1 3.42Å; S607-I611 PolarHBondContact O-N 3.46Å; V608-I611 CarbonylContact O-C 3.58Å; V608-I611 PolarHBondContact O-N 3.31Å; I611-A614 PolarHBondContact O-N 2.97Å; I611-I615 HydrophobicContact CG2-CD1 3.77Å; I611-I615 HydrophobicContact CG2-CG1 4.44Å; I611-I615 WeakPolarHBondContact O-CG1 3.47Å; I611-I615 PolarHBondContact O-N 2.82Å
612	L	45.2	Very low	42.7	Very low	94 Å²	94	93.1 Å²	93.1	49%	0.492	52%	0.523	S	S	.	.	H	α-helix	trans	-60.2	-50.8	176.1	-142.4	81.3	0	0	0	110.6	V608 D609 A614 I615 L616	V608-L612 WeakPolarHBondContact O-CB 3.47Å; V608-L612 PolarHBondContact O-N 3.03Å; D609-L612 PolarHBondContact O-N 2.79Å; L612-A614 VanDerWaalsContact C-N 3.31Å; L612-A614 PolarHBondContact O-N 2.94Å; L612-I615 PolarHBondContact O-N 3.13Å; L612-L616 HydrophobicContact CG-CD1 4.44Å; L612-L616 WeakPolarHBondContact O-CB 3.14Å; L612-L616 WeakPolarHBondContact O-CD1 3.38Å; L612-L616 WeakPolarHBondContact O-CG 3.3Å; L612-L616 PolarHBondContact O-N 3.44Å
613	R	47.5	Very low	43.2	Very low	124 Å²	124	95.7 Å²	95.7	47%	0.468	54%	0.538	S	S	.	.	H	α-helix	trans	-64.5	-31.6	175.7	-65.3	-172.9	-142.3	-169.6	7.4	112.9	D609 N617	D609-R613 WeakPolarHBondContact O-CG 3.17Å; D609-R613 PolarHBondContact O-N 3.47Å; D609-R613 IonicContact OD2-CZ 2.74Å; D609-R613 IonicContact OD2-NE 3.32Å; D609-R613 PolarHBondContact OD2-NE 3.35Å; D609-R613 IonicContact OD2-NH2 3.59Å; D609-R613 PolarHBondContact OD2-NH2 3.4Å; R613-N617 VanDerWaalsContact O-CB 3.24Å; R613-N617 WeakPolarHBondContact O-CB 3.45Å; R613-N617 VanDerWaalsContact O-CG 3.3Å; R613-N617 PolarHBondContact O-N 3.31Å; R613-N617 PolarHBondContact O-ND2 3.5Å
614	A	46.1	Very low	43.8	Very low	32 Å²	32	95.4 Å²	95.4	26%	0.264	53%	0.532	S	S	.	.	H	α-helix	trans	-68.9	-43.6	175.1	0	0	0	0	0	112.5	L466 A610 I611 L612 N617 L618	L466-A614 HydrophobicContact CD1-CB 3.85Å; A610-A614 WeakPolarHBondContact O-CB 3.41Å; A610-A614 PolarHBondContact O-N 3.43Å; I611-A614 PolarHBondContact O-N 2.97Å; L612-A614 VanDerWaalsContact C-N 3.31Å; L612-A614 PolarHBondContact O-N 2.94Å; A614-N617 CarbonylContact O-C 3.59Å; A614-N617 PolarHBondContact O-N 2.93Å; A614-L618 PolarHBondContact O-N 3.4Å
615	I	49.2	Very low	44.4	Very low	83 Å²	83	97.9 Å²	97.9	43%	0.426	53%	0.532	S	S	.	.	H	α-helix	trans	-63.5	-46.4	173	-68.6	165.4	0	0	0	109.6	I611 L612 N617 L618	I611-I615 HydrophobicContact CG2-CD1 3.77Å; I611-I615 HydrophobicContact CG2-CG1 4.44Å; I611-I615 WeakPolarHBondContact O-CG1 3.47Å; I611-I615 PolarHBondContact O-N 2.82Å; L612-I615 PolarHBondContact O-N 3.13Å; I615-N617 PolarHBondContact O-N 3.47Å; I615-N617 VanDerWaalsContact O-N 3.15Å; I615-L618 HydrophobicContact CG2-CD1 4.27Å; I615-L618 VanDerWaalsContact O-CB 3.27Å; I615-L618 WeakPolarHBondContact O-CB 3.13Å; I615-L618 WeakPolarHBondContact O-CD1 3.18Å; I615-L618 PolarHBondContact O-N 2.96Å
616	L	47.3	Very low	44.9	Very low	57 Å²	57	98.2 Å²	98.2	30%	0.298	53%	0.534	S	S	.	.	H	α-helix	trans	-65.9	-14.5	175.9	-66.7	165.8	0	0	0	113.4	L612 R628 F632	L612-L616 HydrophobicContact CG-CD1 4.44Å; L612-L616 WeakPolarHBondContact O-CB 3.14Å; L612-L616 WeakPolarHBondContact O-CD1 3.38Å; L612-L616 WeakPolarHBondContact O-CG 3.3Å; L612-L616 PolarHBondContact O-N 3.44Å; L616-R628 PolarHBondContact O-NH2 3.28Å; L616-F632 HydrophobicContact CB-CE1 4.38Å; L616-F632 HydrophobicContact CB-CE2 3.57Å; L616-F632 HydrophobicContact CB-CZ 3.44Å; L616-F632 VanDerWaalsContact CB-CZ 3.44Å; L616-F632 HydrophobicContact CD1-CE1 4.02Å; L616-F632 HydrophobicContact CD1-CZ 3.84Å; L616-F632 HydrophobicContact CG-CZ 4.2Å
617	N	50.2	Low	45	Very low	91 Å²	91	100.1 Å²	100.1	49%	0.487	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	21.6	171.8	-76.2	-25.4	0	0	0	113.8	R613 A614 I615 G619	R613-N617 VanDerWaalsContact O-CB 3.24Å; R613-N617 WeakPolarHBondContact O-CB 3.45Å; R613-N617 VanDerWaalsContact O-CG 3.3Å; R613-N617 PolarHBondContact O-N 3.31Å; R613-N617 PolarHBondContact O-ND2 3.5Å; A614-N617 CarbonylContact O-C 3.59Å; A614-N617 PolarHBondContact O-N 2.93Å; I615-N617 PolarHBondContact O-N 3.47Å; I615-N617 VanDerWaalsContact O-N 3.15Å; N617-G619 PolarHBondContact O-N 3.21Å
618	L	44.1	Very low	44.9	Very low	30 Å²	30	99.8 Å²	99.8	16%	0.157	53%	0.526	C	S	.	.			trans	-60	95.6	163.3	-93.2	154.4	0	0	0	111	A458 I459 K462 A614 I615 L620 R628	A458-L618 WeakPolarHBondContact O-CD2 3.49Å; I459-L618 HydrophobicContact CB-CD1 4.26Å; I459-L618 HydrophobicContact CG1-CD1 3.56Å; K462-L618 HydrophobicContact CB-CD2 3.33Å; K462-L618 HydrophobicContact CB-CG 4.14Å; K462-L618 HydrophobicContact CD-CD2 4.29Å; K462-L618 HydrophobicContact CG-CD2 3.73Å; K462-L618 HydrophobicContact CG-CG 4.19Å; A614-L618 PolarHBondContact O-N 3.4Å; I615-L618 HydrophobicContact CG2-CD1 4.27Å; I615-L618 VanDerWaalsContact O-CB 3.27Å; I615-L618 WeakPolarHBondContact O-CB 3.13Å; I615-L618 WeakPolarHBondContact O-CD1 3.18Å; I615-L618 PolarHBondContact O-N 2.96Å; L618-L620 PolarHBondContact O-N 3.25Å; L618-R628 VanDerWaalsContact C-NH2 3.32Å; L618-R628 VanDerWaalsContact O-CZ 3.3Å; L618-R628 PolarHBondContact O-NH1 3.1Å; L618-R628 PolarHBondContact O-NH2 3.04Å
619	G	47	Very low	45	Very low	50 Å²	50	98.4 Å²	98.4	52%	0.515	52%	0.521	S	S	.	.			trans	-70.5	94.6	174.2	0	0	0	0	0	111.6	N617	N617-G619 PolarHBondContact O-N 3.21Å
620	L	38.9	Very low	45.1	Very low	137 Å²	137	101 Å²	101	72%	0.717	53%	0.531	S	S	*	.			trans	-74.7	161.2	145.3	-59.8	177.1	0	0	0	108.4	L618	L618-L620 PolarHBondContact O-N 3.25Å
621	E	41	Very low	45.1	Very low	179 Å²	179	105.6 Å²	105.6	84%	0.836	54%	0.537	S	S	*	.			trans	-63.7	163.5	-154.6	-59.7	-175.3	147.9	0	0	116.1	D623	E621-D623 VanDerWaalsContact C-N 3.3Å; E621-D623 PolarHBondContact O-N 2.98Å
622	E	41.2	Very low	45.2	Very low	164 Å²	164	103.1 Å²	103.1	77%	0.766	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-67	-18	-145.1	-58.9	-171.9	114.1	0	0	116.4	Q624 N625	E622-Q624 PolarHBondContact O-N 2.95Å; E622-Q624 VanDerWaalsContact O-N 3.15Å; E622-N625 PolarHBondContact O-N 2.7Å
623	D	44.7	Very low	45.5	Very low	171 Å²	171	105.1 Å²	105.1	91%	0.914	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-70.4	-9.1	-172.4	-112	-12.4	0	0	0	115.2	E621	E621-D623 VanDerWaalsContact C-N 3.3Å; E621-D623 PolarHBondContact O-N 2.98Å
624	Q	43.9	Very low	45.7	Very low	136 Å²	136	103 Å²	103	64%	0.636	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-97.1	-4	-179.6	-66.8	-147.4	10.5	0	0	115.5	E622 T626 K627 R628	E622-Q624 PolarHBondContact O-N 2.95Å; E622-Q624 VanDerWaalsContact O-N 3.15Å; Q624-T626 VanDerWaalsContact C-N 3.31Å; Q624-T626 PolarHBondContact O-N 2.94Å; Q624-T626 VanDerWaalsContact O-N 3.09Å; Q624-K627 CarbonylContact O-C 3.49Å; Q624-K627 PolarHBondContact O-N 3.01Å; Q624-K627 VanDerWaalsContact O-N 3.08Å; Q624-R628 WeakPolarHBondContact O-CB 3.37Å; Q624-R628 PolarHBondContact O-N 2.96Å
625	N	45.6	Very low	45.8	Very low	112 Å²	112	105 Å²	105	60%	0.599	53%	0.533	S	S	*	.	H	α-helix	trans	-59	-33.5	-163.6	-120.5	-12.5	0	0	0	115.4	E622 R628 S629	E622-N625 PolarHBondContact O-N 2.7Å; N625-R628 WeakPolarHBondContact O-CB 3.44Å; N625-R628 PolarHBondContact O-N 2.92Å; N625-S629 PolarHBondContact O-N 3.28Å
626	T	45.6	Very low	45.9	Very low	113 Å²	113	104.9 Å²	104.9	69%	0.693	53%	0.533	S	S	*	.	H	α-helix	trans	-66.5	-52.8	174.6	-42.6	0	0	0	0	111.4	Q624 R628 S629 E630	Q624-T626 VanDerWaalsContact C-N 3.31Å; Q624-T626 PolarHBondContact O-N 2.94Å; Q624-T626 VanDerWaalsContact O-N 3.09Å; T626-R628 PolarHBondContact O-N 3.4Å; T626-S629 PolarHBondContact O-N 3.34Å; T626-E630 PolarHBondContact O-N 3.12Å
627	K	45.8	Very low	46.3	Very low	133 Å²	133	107.8 Å²	107.8	58%	0.578	55%	0.545	S	S	*	.	H	α-helix	trans	-61.7	-32.4	175.4	-69.1	-178	179.4	176.2	0	111.7	Q624 E630 Y631	Q624-K627 CarbonylContact O-C 3.49Å; Q624-K627 PolarHBondContact O-N 3.01Å; Q624-K627 VanDerWaalsContact O-N 3.08Å; K627-E630 PolarHBondContact O-N 2.88Å; K627-Y631 WeakPolarHBondContact O-CB 3.49Å; K627-Y631 WeakPolarHBondContact O-CD2 3.49Å; K627-Y631 PolarHBondContact O-N 2.97Å
628	R	42.1	Very low	46.5	Very low	62 Å²	62	108.7 Å²	108.7	23%	0.234	55%	0.545	C	S	.	.	H	α-helix	trans	-60.7	-46.7	176.5	-170.4	-171	-170.6	106.4	11.9	110.7	L616 L618 Q624 N625 T626 Y631 F632	L616-R628 PolarHBondContact O-NH2 3.28Å; L618-R628 VanDerWaalsContact C-NH2 3.32Å; L618-R628 VanDerWaalsContact O-CZ 3.3Å; L618-R628 PolarHBondContact O-NH1 3.1Å; L618-R628 PolarHBondContact O-NH2 3.04Å; Q624-R628 WeakPolarHBondContact O-CB 3.37Å; Q624-R628 PolarHBondContact O-N 2.96Å; N625-R628 WeakPolarHBondContact O-CB 3.44Å; N625-R628 PolarHBondContact O-N 2.92Å; T626-R628 PolarHBondContact O-N 3.4Å; R628-Y631 PolarHBondContact O-N 3.3Å; R628-F632 VanDerWaalsContact O-CB 3.31Å; R628-F632 WeakPolarHBondContact O-CB 3.43Å; R628-F632 PolarHBondContact O-N 2.82Å
629	S	44.2	Very low	47.1	Very low	74 Å²	74	111.6 Å²	111.6	52%	0.517	56%	0.559	S	S	.	*	H	α-helix	trans	-61.5	-43.8	176.8	-167.5	0	0	0	0	111.6	N625 T626 F632 Q633	N625-S629 PolarHBondContact O-N 3.28Å; T626-S629 PolarHBondContact O-N 3.34Å; S629-F632 PolarHBondContact O-N 2.91Å; S629-Q633 WeakPolarHBondContact O-CB 3.26Å; S629-Q633 PolarHBondContact O-N 2.8Å
630	E	48.4	Very low	47.9	Very low	116 Å²	116	114.9 Å²	114.9	54%	0.542	57%	0.565	S	S	.	*	H	α-helix	trans	-62	-45.9	175.4	-64.4	175.2	142.9	0	0	111.7	T626 K627 Q633 L634	T626-E630 PolarHBondContact O-N 3.12Å; K627-E630 PolarHBondContact O-N 2.88Å; E630-Q633 PolarHBondContact O-N 2.91Å; E630-L634 WeakPolarHBondContact O-CB 3.31Å; E630-L634 PolarHBondContact O-N 3.09Å
631	Y	43.9	Very low	49.6	Very low	155 Å²	155	111.7 Å²	111.7	61%	0.608	55%	0.549	S	S	*	.	H	α-helix	trans	-63.5	-39.9	175.1	-99.3	-96.9	0	0	0	112.7	K627 R628 Q633 L634 I635	K627-Y631 WeakPolarHBondContact O-CB 3.49Å; K627-Y631 WeakPolarHBondContact O-CD2 3.49Å; K627-Y631 PolarHBondContact O-N 2.97Å; R628-Y631 PolarHBondContact O-N 3.3Å; Y631-Q633 VanDerWaalsContact C-N 3.33Å; Y631-L634 PolarHBondContact O-N 3.32Å; Y631-I635 HydrophobicContact CD1-CD1 4.46Å; Y631-I635 VanDerWaalsContact O-CB 3.32Å; Y631-I635 WeakPolarHBondContact O-CB 3.32Å; Y631-I635 WeakPolarHBondContact O-CD1 3.43Å; Y631-I635 WeakPolarHBondContact O-CG1 3.41Å; Y631-I635 PolarHBondContact O-N 3.4Å
632	F	47.8	Very low	51.7	Low	53 Å²	53	105.1 Å²	105.1	23%	0.232	53%	0.525	C	S	.	.	H	α-helix	trans	-64.5	-41.4	177.9	-144.6	-61.6	0	0	0	110.7	L616 R628 S629 I635 N636	L616-F632 HydrophobicContact CB-CE1 4.38Å; L616-F632 HydrophobicContact CB-CE2 3.57Å; L616-F632 HydrophobicContact CB-CZ 3.44Å; L616-F632 VanDerWaalsContact CB-CZ 3.44Å; L616-F632 HydrophobicContact CD1-CE1 4.02Å; L616-F632 HydrophobicContact CD1-CZ 3.84Å; L616-F632 HydrophobicContact CG-CZ 4.2Å; R628-F632 VanDerWaalsContact O-CB 3.31Å; R628-F632 WeakPolarHBondContact O-CB 3.43Å; R628-F632 PolarHBondContact O-N 2.82Å; S629-F632 PolarHBondContact O-N 2.91Å; F632-I635 PolarHBondContact O-N 3.36Å; F632-N636 PolarHBondContact O-N 3.31Å
633	Q	51.4	Low	54	Low	135 Å²	135	97.6 Å²	97.6	63%	0.631	49%	0.491	S	S	*	.	H	α-helix	trans	-68.1	-43.2	175.6	-161.2	161.7	7.4	0	0	110.7	S629 E630 Y631 I635 Q637	S629-Q633 WeakPolarHBondContact O-CB 3.26Å; S629-Q633 PolarHBondContact O-N 2.8Å; E630-Q633 PolarHBondContact O-N 2.91Å; Y631-Q633 VanDerWaalsContact C-N 3.33Å; Q633-I635 PolarHBondContact O-N 3.34Å; Q633-Q637 WeakPolarHBondContact O-CB 3.47Å; Q633-Q637 PolarHBondContact O-N 2.85Å
634	L	50.9	Low	56.2	Low	81 Å²	81	91 Å²	91	42%	0.424	46%	0.46	S	S	.	.	H	α-helix	trans	-59.5	-39.5	171.6	-112.1	79.1	0	0	0	113.2	E630 Y631 K638	E630-L634 WeakPolarHBondContact O-CB 3.31Å; E630-L634 PolarHBondContact O-N 3.09Å; Y631-L634 PolarHBondContact O-N 3.32Å; L634-K638 VanDerWaalsContact O-CB 3.24Å; L634-K638 WeakPolarHBondContact O-CB 3.26Å; L634-K638 VanDerWaalsContact O-CG 3.27Å; L634-K638 WeakPolarHBondContact O-CG 3.44Å; L634-K638 PolarHBondContact O-N 3.37Å
635	I	49.5	Very low	58.6	Low	73 Å²	73	87 Å²	87	37%	0.374	45%	0.445	S	S	.	.	H	α-helix	trans	-73.1	-46.5	-177.8	-75.1	161.5	0	0	0	110.5	Y631 F632 Q633 Q637 K638 I639	Y631-I635 HydrophobicContact CD1-CD1 4.46Å; Y631-I635 VanDerWaalsContact O-CB 3.32Å; Y631-I635 WeakPolarHBondContact O-CB 3.32Å; Y631-I635 WeakPolarHBondContact O-CD1 3.43Å; Y631-I635 WeakPolarHBondContact O-CG1 3.41Å; Y631-I635 PolarHBondContact O-N 3.4Å; F632-I635 PolarHBondContact O-N 3.36Å; Q633-I635 PolarHBondContact O-N 3.34Å; I635-Q637 VanDerWaalsContact C-N 3.26Å; I635-Q637 PolarHBondContact O-N 3.29Å; I635-K638 PolarHBondContact O-N 3.21Å; I635-I639 HydrophobicContact CG2-CD1 3.67Å; I635-I639 HydrophobicContact CG2-CG1 4.39Å; I635-I639 WeakPolarHBondContact O-CB 3.23Å; I635-I639 VanDerWaalsContact O-CG1 3.28Å; I635-I639 WeakPolarHBondContact O-CG1 3.43Å; I635-I639 PolarHBondContact O-N 2.82Å
636	N	51.7	Low	61.1	Low	80 Å²	80	81.8 Å²	81.8	43%	0.428	42%	0.417	S	S	.	.	H	α-helix	trans	-67.5	-27	175	-79.5	-25.5	0	0	0	112.8	F632 N640	F632-N636 PolarHBondContact O-N 3.31Å; N636-N640 PolarHBondContact O-ND2 3.5Å
637	Q	55.2	Low	63.5	Low	119 Å²	119	78.1 Å²	78.1	56%	0.556	40%	0.399	S	S	*	.	H	α-helix	trans	-68.7	-53.8	168.5	-170.2	165.8	1.2	0	0	110.4	Q633 I635 I639 N640 D641	Q633-Q637 WeakPolarHBondContact O-CB 3.47Å; Q633-Q637 PolarHBondContact O-N 2.85Å; I635-Q637 VanDerWaalsContact C-N 3.26Å; I635-Q637 PolarHBondContact O-N 3.29Å; Q637-I639 PolarHBondContact O-N 3.42Å; Q637-N640 CarbonylContact O-C 3.54Å; Q637-N640 WeakPolarHBondContact O-CA 3.14Å; Q637-N640 PolarHBondContact O-N 3.31Å; Q637-D641 PolarHBondContact O-N 2.95Å; Q637-D641 VanDerWaalsContact O-N 3.14Å
638	K	53.7	Low	65.9	Low	110 Å²	110	72.8 Å²	72.8	48%	0.478	38%	0.376	S	S	.	.	H	α-helix	trans	-62.7	-31.2	-179.2	-78.7	-179.6	173.3	-173.9	0	115.7	L634 I635 N640 D641 I670	L634-K638 VanDerWaalsContact O-CB 3.24Å; L634-K638 WeakPolarHBondContact O-CB 3.26Å; L634-K638 VanDerWaalsContact O-CG 3.27Å; L634-K638 WeakPolarHBondContact O-CG 3.44Å; L634-K638 PolarHBondContact O-N 3.37Å; I635-K638 PolarHBondContact O-N 3.21Å; K638-N640 PolarHBondContact O-N 3.18Å; K638-D641 WeakPolarHBondContact CA-OD2 3.31Å; K638-D641 PolarHBondContact O-N 3.37Å; K638-D641 VanDerWaalsContact O-N 3.15Å; K638-I670 HydrophobicContact CB-CD1 4.31Å; K638-I670 WeakPolarHBondContact O-CD1 3.43Å
639	I	56	Low	68.3	Low	91 Å²	91	72 Å²	72	47%	0.467	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.6	173.7	-71.5	166.8	0	0	0	111.1	I635 Q637	I635-I639 HydrophobicContact CG2-CD1 3.67Å; I635-I639 HydrophobicContact CG2-CG1 4.39Å; I635-I639 WeakPolarHBondContact O-CB 3.23Å; I635-I639 VanDerWaalsContact O-CG1 3.28Å; I635-I639 WeakPolarHBondContact O-CG1 3.43Å; I635-I639 PolarHBondContact O-N 2.82Å; Q637-I639 PolarHBondContact O-N 3.42Å
640	N	64	Low	70.5	Confident	119 Å²	119	73.8 Å²	73.8	64%	0.636	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	11	173.7	-64.1	-78.6	0	0	0	113.1	N636 Q637 K638 A719	N636-N640 PolarHBondContact O-ND2 3.5Å; Q637-N640 CarbonylContact O-C 3.54Å; Q637-N640 WeakPolarHBondContact O-CA 3.14Å; Q637-N640 PolarHBondContact O-N 3.31Å; K638-N640 PolarHBondContact O-N 3.18Å; N640-A719 WeakPolarHBondContact O-CB 3.3Å
641	D	75.8	Confident	72.4	Confident	70 Å²	70	78 Å²	78	37%	0.374	40%	0.398	S	S	.	.	S	Bend	trans	-93.7	159	171.1	-73.3	-38.9	0	0	0	110.5	Q637 K638 N717	Q637-D641 PolarHBondContact O-N 2.95Å; Q637-D641 VanDerWaalsContact O-N 3.14Å; K638-D641 WeakPolarHBondContact CA-OD2 3.31Å; K638-D641 PolarHBondContact O-N 3.37Å; K638-D641 VanDerWaalsContact O-N 3.15Å; D641-N717 PolarHBondContact O-ND2 3.48Å
642	A	85	Confident	74.7	Confident	41 Å²	41	75.8 Å²	75.8	34%	0.339	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-66.6	152.4	170.5	0	0	0	0	0	111.1
643	P	89.6	Confident	76.7	Confident	6 Å²	6	74 Å²	74	4%	0.039	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-67.1	161	-175.1	-17.7	32.1	0	0	0	112.7	I672 A715 N717 S722	P643-I672 HydrophobicContact CB-CD1 4.21Å; P643-I672 HydrophobicContact CB-CG1 3.85Å; P643-I672 HydrophobicContact CG-CG1 3.93Å; P643-A715 HydrophobicContact CB-CB 3.82Å; P643-A715 HydrophobicContact CG-CB 4.12Å; P643-N717 HydrophobicContact CG-CB 3.98Å; P643-S722 WeakPolarHBondContact O-CA 3.37Å; P643-S722 WeakPolarHBondContact O-CB 3.44Å
644	A	91	Very high	78.5	Confident	32 Å²	32	71.7 Å²	71.7	26%	0.264	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-70.4	154.6	169.2	0	0	0	0	0	111.3	P646 T667 S668	A644-P646 WeakPolarHBondContact O-CD 3.44Å; A644-T667 VanDerWaalsContact CB-OG1 3.29Å; A644-T667 WeakPolarHBondContact CB-OG1 3.35Å; A644-S668 PolarHBondContact N-OG 3.27Å
645	P	94.7	Very high	80.5	Confident	52 Å²	52	69.9 Å²	69.9	34%	0.338	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-60.6	122.7	176.1	-25.1	36.7	0	0	0	111.4	T667 Q723	P645-T667 VanDerWaalsContact O-CG2 3.29Å; P645-T667 WeakPolarHBondContact O-CG2 3.37Å; P645-T667 PolarHBondContact O-OG1 2.82Å; P645-Q723 WeakPolarHBondContact CB-O 3.33Å; P645-Q723 HydrophobicContact CG-CB 3.91Å
646	P	96.2	Very high	82.3	Confident	2 Å²	2	71.6 Å²	71.6	1%	0.013	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-62.8	154.6	175.8	23.8	-31.1	0	0	0	111.6	A644 Q665 Y675 V713 A715 S725	A644-P646 WeakPolarHBondContact O-CD 3.44Å; P646-Q665 WeakPolarHBondContact CA-O 3.31Å; P646-Q665 WeakPolarHBondContact CB-O 3.46Å; P646-Y675 HydrophobicContact CB-CD1 4.31Å; P646-Y675 HydrophobicContact CB-CE1 3.96Å; P646-Y675 HydrophobicContact CG-CD1 4.01Å; P646-Y675 HydrophobicContact CG-CE1 4.1Å; P646-V713 HydrophobicContact CB-CG1 4.45Å; P646-V713 HydrophobicContact CG-CB 4.46Å; P646-V713 HydrophobicContact CG-CG1 4.02Å; P646-V713 HydrophobicContact CG-CG2 4.02Å; P646-A715 HydrophobicContact CG-CB 4.28Å; P646-S725 WeakPolarHBondContact O-CB 3.17Å
647	A	95.9	Very high	84	Confident	37 Å²	37	74.1 Å²	74.1	31%	0.306	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136.7	-178.7	0	0	0	0	0	110.8	W664 Q665 T667	A647-W664 CarbonylContact O-C 3.47Å; A647-W664 WeakPolarHBondContact O-CA 3.48Å; A647-W664 VanDerWaalsContact O-CB 3.27Å; A647-W664 WeakPolarHBondContact O-CB 3.42Å; A647-Q665 PolarHBondContact N-O 3.13Å; A647-Q665 PolarHBondContact O-N 3.42Å; A647-T667 HydrophobicContact CB-CG2 3.68Å
648	F	97.3	Very high	85.7	Confident	21 Å²	21	69.2 Å²	69.2	9%	0.092	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	139.8	173.6	-72.8	-71.1	0	0	0	111.6	I650 L662 V663 W664 L677 A711 V713 S725 I728	F648-I650 HydrophobicContact CB-CG1 4.36Å; F648-I650 PolarHBondContact O-N 3.47Å; F648-L662 HydrophobicContact CD1-CD2 4.25Å; F648-L662 HydrophobicContact CE1-CB 4.29Å; F648-L662 HydrophobicContact CE1-CD2 3.82Å; F648-L662 HydrophobicContact CZ-CD2 4.36Å; F648-V663 CarbonylContact C-O 3.58Å; F648-V663 WeakPolarHBondContact CA-O 3.32Å; F648-V663 WeakPolarHBondContact CD1-O 3.46Å; F648-W664 HydrophobicContact CD1-CB 4.07Å; F648-W664 HydrophobicContact CD1-CE3 4.48Å; F648-W664 HydrophobicContact CE1-CE3 4.17Å; F648-L677 HydrophobicContact CE1-CD1 3.97Å; F648-L677 HydrophobicContact CZ-CD1 3.87Å; F648-A711 HydrophobicContact CE2-CB 4.39Å; F648-A711 HydrophobicContact CZ-CB 3.87Å; F648-V713 HydrophobicContact CD1-CG1 4.29Å; F648-V713 HydrophobicContact CD2-CG1 4.42Å; F648-V713 HydrophobicContact CE1-CB 4.38Å; F648-V713 HydrophobicContact CE1-CG1 3.77Å; F648-V713 HydrophobicContact CE2-CG1 3.96Å; F648-V713 HydrophobicContact CZ-CB 4.11Å; F648-V713 HydrophobicContact CZ-CG1 3.61Å; F648-S725 VanDerWaalsContact CE2-OG 3.27Å; F648-S725 WeakPolarHBondContact CE2-OG 3.47Å; F648-I728 HydrophobicContact CB-CD1 3.82Å; F648-I728 HydrophobicContact CB-CG2 4.28Å; F648-I728 HydrophobicContact CD1-CD1 3.79Å; F648-I728 HydrophobicContact CD1-CG1 4.48Å; F648-I728 HydrophobicContact CD2-CB 4.38Å; F648-I728 HydrophobicContact CD2-CD1 3.76Å; F648-I728 HydrophobicContact CD2-CG1 3.71Å; F648-I728 HydrophobicContact CD2-CG2 3.88Å; F648-I728 HydrophobicContact CE1-CD1 4.25Å; F648-I728 HydrophobicContact CE2-CD1 4.18Å; F648-I728 HydrophobicContact CE2-CG1 3.83Å; F648-I728 HydrophobicContact CG-CD1 3.53Å; F648-I728 HydrophobicContact CG-CG1 4.05Å; F648-I728 HydrophobicContact CG-CG2 4.37Å; F648-I728 HydrophobicContact CZ-CD1 4.42Å; F648-I728 HydrophobicContact CZ-CG1 4.3Å
649	L	91.7	Very high	87.5	Confident	45 Å²	45	65.9 Å²	65.9	24%	0.236	35%	0.349	C	S	.	.			trans	-87.5	85.1	167	-67.9	177.5	0	0	0	107.6	E651 E652 C653 V663 Q665	L649-E651 VanDerWaalsContact C-N 3.28Å; L649-E651 PolarHBondContact O-N 3.01Å; L649-E652 HydrophobicContact CB-CB 4.12Å; L649-E652 HydrophobicContact CB-CG 4.33Å; L649-E652 PolarHBondContact O-N 3.26Å; L649-C653 PolarHBondContact O-N 2.92Å; L649-C653 VanDerWaalsContact O-N 3.16Å; L649-C653 PolarHBondContact O-SG 3.06Å; L649-V663 HydrophobicContact CB-CB 4.39Å; L649-V663 HydrophobicContact CB-CG1 4.43Å; L649-V663 HydrophobicContact CD1-CG1 4.16Å; L649-V663 PolarHBondContact N-O 2.95Å; L649-Q665 HydrophobicContact CD1-CB 4.5Å; L649-Q665 HydrophobicContact CD2-CG 4.06Å; L649-Q665 HydrophobicContact CG-CG 4.24Å
650	I	90.9	Very high	89.4	Confident	112 Å²	112	61.5 Å²	61.5	57%	0.574	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-59.4	-38.3	-167.7	-56.2	-176.7	0	0	0	112	F648 E652 C653 I728	F648-I650 HydrophobicContact CB-CG1 4.36Å; F648-I650 PolarHBondContact O-N 3.47Å; I650-E652 VanDerWaalsContact C-N 3.25Å; I650-E652 PolarHBondContact O-N 3.46Å; I650-C653 PolarHBondContact O-N 3.04Å; I650-I728 HydrophobicContact CD1-CG2 3.95Å; I650-I728 HydrophobicContact CG1-CG2 4.11Å
651	E	88.7	Confident	90.9	Very high	203 Å²	203	56.9 Å²	56.9	95%	0.949	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-74.1	-12.4	179.3	-62.4	-173.1	-148.6	0	0	113.7	L649	L649-E651 VanDerWaalsContact C-N 3.28Å; L649-E651 PolarHBondContact O-N 3.01Å
652	E	92.2	Very high	91.9	Very high	110 Å²	110	53.5 Å²	53.5	51%	0.514	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-99	-9.8	171.7	-64.2	-179.1	-153	0	0	112.7	L649 I650 V663	L649-E652 HydrophobicContact CB-CB 4.12Å; L649-E652 HydrophobicContact CB-CG 4.33Å; L649-E652 PolarHBondContact O-N 3.26Å; I650-E652 VanDerWaalsContact C-N 3.25Å; I650-E652 PolarHBondContact O-N 3.46Å; E652-V663 HydrophobicContact CB-CB 4.05Å; E652-V663 HydrophobicContact CB-CG1 4.4Å; E652-V663 HydrophobicContact CB-CG2 3.99Å; E652-V663 WeakPolarHBondContact O-CG2 3.49Å
653	C	89.6	Confident	92.5	Very high	16 Å²	16	51.9 Å²	51.9	11%	0.108	27%	0.27	C	S	.	.			trans	-80	124.3	175.3	-63.9	0	0	0	0	110.2	L649 I650 T661 V663 I728 L730	L649-C653 PolarHBondContact O-N 2.92Å; L649-C653 VanDerWaalsContact O-N 3.16Å; L649-C653 PolarHBondContact O-SG 3.06Å; I650-C653 PolarHBondContact O-N 3.04Å; C653-T661 CarbonylContact C-O 3.45Å; C653-T661 WeakPolarHBondContact CA-O 3.41Å; C653-V663 PolarHBondContact SG-N 3.46Å; C653-V663 PolarHBondContact SG-O 2.82Å; C653-I728 HydrophobicContact CB-CD1 4.42Å; C653-L730 HydrophobicContact CB-CD2 4.27Å
654	I	89.5	Confident	92.8	Very high	86 Å²	86	51.6 Å²	51.6	44%	0.441	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	150.2	-176.4	59.4	168.3	0	0	0	112.2	I660 T661	I654-I660 CarbonylContact O-C 3.57Å; I654-I660 WeakPolarHBondContact O-CA 3.45Å; I654-T661 PolarHBondContact N-O 3.26Å; I654-T661 PolarHBondContact O-N 2.8Å
655	S	91.4	Very high	93	Very high	43 Å²	43	54.5 Å²	54.5	30%	0.301	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	115.6	173.5	-176.6	0	0	0	0	108.9	Q731	S655-Q731 WeakPolarHBondContact CB-O 3.44Å; S655-Q731 PolarHBondContact OG-O 3.18Å
656	E	87.6	Confident	92.9	Very high	108 Å²	108	55.1 Å²	55.1	51%	0.505	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	122.4	176.5	-79.3	-160.1	-158.5	0	0	110.5	N658 V659	E656-N658 PolarHBondContact O-N 2.74Å; E656-V659 PolarHBondContact N-O 2.82Å; E656-V659 WeakPolarHBondContact O-CB 3.48Å; E656-V659 PolarHBondContact O-N 3.31Å
657	R	88.7	Confident	92.5	Very high	133 Å²	133	58.6 Å²	58.6	50%	0.502	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	-107.3	-179.2	-52.9	173.6	-165.4	77.5	4.9	110.1	F705 T732 S733 W737	R657-F705 HydrophobicContact CB-CE1 4.22Å; R657-T732 CarbonylContact O-C 3.56Å; R657-T732 WeakPolarHBondContact O-CB 3.09Å; R657-S733 WeakPolarHBondContact O-CB 3.44Å; R657-S733 PolarHBondContact O-N 2.89Å; R657-W737 HydrophobicContact CB-CB 4.3Å; R657-W737 HydrophobicContact CG-CB 4.06Å; R657-W737 HydrophobicContact CG-CG 4.12Å
658	N	90.4	Very high	91.7	Very high	17 Å²	17	58 Å²	58	9%	0.091	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	30.8	173	69.2	-34.9	0	0	0	112.9	E656 G702 L703 F705	E656-N658 PolarHBondContact O-N 2.74Å; N658-G702 PolarHBondContact O-N 2.81Å; N658-L703 HydrophobicContact CB-CB 4.35Å; N658-L703 VanDerWaalsContact CB-O 3.27Å; N658-L703 WeakPolarHBondContact CB-O 3.18Å; N658-L703 PolarHBondContact ND2-O 3.4Å; N658-L703 WeakPolarHBondContact O-CB 3.27Å; N658-L703 PolarHBondContact O-N 3.34Å; N658-L703 VanDerWaalsContact O-N 3.1Å; N658-F705 HydrophobicContact CB-CD1 4.01Å; N658-F705 HydrophobicContact CB-CE1 3.69Å; N658-F705 HydrophobicContact CB-CE2 4.36Å; N658-F705 HydrophobicContact CB-CG 4.45Å; N658-F705 HydrophobicContact CB-CZ 3.87Å
659	V	91.7	Very high	90.6	Very high	39 Å²	39	63.3 Å²	63.3	24%	0.236	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131.4	174.3	-179.8	0	0	0	0	108.5	E656 T699 V700 E701	E656-V659 PolarHBondContact N-O 2.82Å; E656-V659 WeakPolarHBondContact O-CB 3.48Å; E656-V659 PolarHBondContact O-N 3.31Å; V659-T699 HydrophobicContact CG1-CG2 3.35Å; V659-V700 WeakPolarHBondContact CA-O 3.45Å; V659-E701 HydrophobicContact CG1-CG 3.92Å; V659-E701 HydrophobicContact CG2-CB 4.23Å; V659-E701 HydrophobicContact CG2-CG 4Å
660	I	95.2	Very high	90	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	122.2	177.2	-76.5	170.5	0	0	0	108.9	I654 L662 V700 L703 Y709 L730 T732	I654-I660 CarbonylContact O-C 3.57Å; I654-I660 WeakPolarHBondContact O-CA 3.45Å; I660-L662 HydrophobicContact CG2-CD1 3.89Å; I660-L662 HydrophobicContact CG2-CD2 4.41Å; I660-L662 HydrophobicContact CG2-CG 3.8Å; I660-V700 PolarHBondContact N-O 3.26Å; I660-V700 PolarHBondContact O-N 2.9Å; I660-L703 HydrophobicContact CB-CD1 3.95Å; I660-L703 HydrophobicContact CD1-CD1 3.66Å; I660-L703 HydrophobicContact CG1-CD1 3.92Å; I660-Y709 HydrophobicContact CD1-CD2 4.21Å; I660-Y709 HydrophobicContact CD1-CG 4.47Å; I660-L730 HydrophobicContact CD1-CB 3.73Å; I660-L730 HydrophobicContact CG1-CB 4.29Å; I660-L730 HydrophobicContact CG2-CB 4.38Å; I660-L730 HydrophobicContact CG2-CD1 4.11Å; I660-L730 HydrophobicContact CG2-CD2 4.31Å; I660-T732 HydrophobicContact CD1-CG2 4.1Å
661	T	95.7	Very high	89.6	Confident	21 Å²	21	61.1 Å²	61.1	13%	0.129	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.5	171.6	-56	0	0	0	0	109.3	C653 I654 M697 T699	C653-T661 CarbonylContact C-O 3.45Å; C653-T661 WeakPolarHBondContact CA-O 3.41Å; I654-T661 PolarHBondContact N-O 3.26Å; I654-T661 PolarHBondContact O-N 2.8Å; T661-M697 HydrophobicContact CG2-CG 4.03Å; T661-M697 HydrophobicContact CG2-SD 4.34Å; T661-T699 PolarHBondContact OG1-OG1 3.44Å
662	L	97.2	Very high	89.6	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.4	-176.8	-75.1	152.9	0	0	0	109.5	F648 I660 W664 L677 L679 M697 C698 A711 I728 L730	F648-L662 HydrophobicContact CD1-CD2 4.25Å; F648-L662 HydrophobicContact CE1-CB 4.29Å; F648-L662 HydrophobicContact CE1-CD2 3.82Å; F648-L662 HydrophobicContact CZ-CD2 4.36Å; I660-L662 HydrophobicContact CG2-CD1 3.89Å; I660-L662 HydrophobicContact CG2-CD2 4.41Å; I660-L662 HydrophobicContact CG2-CG 3.8Å; L662-W664 HydrophobicContact CB-CE3 4.48Å; L662-W664 HydrophobicContact CB-CZ3 4.23Å; L662-W664 WeakPolarHBondContact O-CZ3 3.25Å; L662-L677 HydrophobicContact CB-CD2 4.22Å; L662-L677 HydrophobicContact CD1-CD1 4.26Å; L662-L677 HydrophobicContact CD1-CD2 3.91Å; L662-L679 HydrophobicContact CD1-CD1 3.6Å; L662-L679 HydrophobicContact CD1-CD2 4.35Å; L662-L679 HydrophobicContact CD1-CG 4.29Å; L662-M697 CarbonylContact O-C 3.3Å; L662-M697 WeakPolarHBondContact O-CA 3.45Å; L662-C698 PolarHBondContact N-O 3.01Å; L662-C698 PolarHBondContact O-N 3.47Å; L662-A711 HydrophobicContact CD1-CB 3.85Å; L662-A711 HydrophobicContact CD2-CB 3.68Å; L662-A711 HydrophobicContact CG-CB 4.45Å; L662-I728 HydrophobicContact CD2-CD1 3.69Å; L662-I728 HydrophobicContact CD2-CG1 4.28Å; L662-L730 HydrophobicContact CD2-CD1 3.56Å; L662-L730 HydrophobicContact CG-CD1 4.48Å
663	V	96.7	Very high	89.6	Confident	6 Å²	6	51.3 Å²	51.3	4%	0.036	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135.8	-178.8	-164.5	0	0	0	0	109.3	F648 L649 E652 C653 T696 M697	F648-V663 CarbonylContact C-O 3.58Å; F648-V663 WeakPolarHBondContact CA-O 3.32Å; F648-V663 WeakPolarHBondContact CD1-O 3.46Å; L649-V663 HydrophobicContact CB-CB 4.39Å; L649-V663 HydrophobicContact CB-CG1 4.43Å; L649-V663 HydrophobicContact CD1-CG1 4.16Å; L649-V663 PolarHBondContact N-O 2.95Å; E652-V663 HydrophobicContact CB-CB 4.05Å; E652-V663 HydrophobicContact CB-CG1 4.4Å; E652-V663 HydrophobicContact CB-CG2 3.99Å; E652-V663 WeakPolarHBondContact O-CG2 3.49Å; C653-V663 PolarHBondContact SG-N 3.46Å; C653-V663 PolarHBondContact SG-O 2.82Å; V663-T696 WeakPolarHBondContact CA-O 3.46Å; V663-M697 HydrophobicContact CG1-CE 4.26Å; V663-M697 HydrophobicContact CG2-CE 3.69Å; V663-M697 HydrophobicContact CG2-CG 4.23Å
664	W	97.5	Very high	89.8	Confident	1 Å²	1	53.7 Å²	53.7	0%	0.004	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	177.4	178.8	59.3	92.2	0	0	0	111.6	A647 F648 L662 Y675 L677 Y691 E695 T696 C698 V713	A647-W664 CarbonylContact O-C 3.47Å; A647-W664 WeakPolarHBondContact O-CA 3.48Å; A647-W664 VanDerWaalsContact O-CB 3.27Å; A647-W664 WeakPolarHBondContact O-CB 3.42Å; F648-W664 HydrophobicContact CD1-CB 4.07Å; F648-W664 HydrophobicContact CD1-CE3 4.48Å; F648-W664 HydrophobicContact CE1-CE3 4.17Å; L662-W664 HydrophobicContact CB-CE3 4.48Å; L662-W664 HydrophobicContact CB-CZ3 4.23Å; L662-W664 WeakPolarHBondContact O-CZ3 3.25Å; W664-Y675 AromaticContact CD1-CD1 3.94Å; W664-Y675 AromaticContact CD1-CE1 3.95Å; W664-Y675 HydrophobicContact CZ2-CD2 4.41Å; W664-Y675 HydrophobicContact CZ2-CG 4.27Å; W664-Y675 AromaticContact NE1-CD1 3.38Å; W664-Y675 AromaticContact NE1-CD2 3.44Å; W664-Y675 AromaticContact NE1-CE1 3.74Å; W664-Y675 AromaticContact NE1-CE2 3.81Å; W664-Y675 AromaticContact NE1-CG 3.22Å; W664-Y675 AromaticContact NE1-CZ 3.95Å; W664-L677 HydrophobicContact CH2-CB 4.29Å; W664-L677 HydrophobicContact CH2-CD2 4.06Å; W664-L677 HydrophobicContact CZ3-CD1 4.37Å; W664-L677 HydrophobicContact CZ3-CD2 3.83Å; W664-Y691 AromaticContact CH2-CD1 3.94Å; W664-Y691 HydrophobicContact CH2-CD1 3.94Å; W664-Y691 HydrophobicContact CH2-CE1 4.12Å; W664-Y691 HydrophobicContact CZ2-CD1 4.11Å; W664-Y691 AromaticContact CZ2-CE1 3.97Å; W664-Y691 HydrophobicContact CZ2-CE1 3.97Å; W664-E695 VanDerWaalsContact CZ2-O 3.26Å; W664-E695 WeakPolarHBondContact CZ2-O 3.44Å; W664-T696 PolarHBondContact N-O 3.05Å; W664-T696 WeakPolarHBondContact O-CB 3.18Å; W664-T696 PolarHBondContact O-OG1 3.3Å; W664-C698 HydrophobicContact CH2-CB 3.78Å; W664-C698 HydrophobicContact CZ3-CB 4.01Å; W664-V713 HydrophobicContact CB-CG1 4.13Å; W664-V713 HydrophobicContact CD2-CB 4.5Å; W664-V713 HydrophobicContact CD2-CG1 4.31Å; W664-V713 HydrophobicContact CD2-CG2 4Å; W664-V713 HydrophobicContact CG-CG1 4.04Å; W664-V713 HydrophobicContact CG-CG2 4.21Å; W664-V713 HydrophobicContact CZ2-CG2 4.25Å
665	Q	94	Very high	90.2	Very high	93 Å²	93	50.2 Å²	50.2	44%	0.435	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	152	175.8	57.9	174.3	-13.5	0	0	111.6	P646 A647 L649	P646-Q665 WeakPolarHBondContact CA-O 3.31Å; P646-Q665 WeakPolarHBondContact CB-O 3.46Å; A647-Q665 PolarHBondContact N-O 3.13Å; A647-Q665 PolarHBondContact O-N 3.42Å; L649-Q665 HydrophobicContact CD1-CB 4.5Å; L649-Q665 HydrophobicContact CD2-CG 4.06Å; L649-Q665 HydrophobicContact CG-CG 4.24Å
666	P	93.1	Very high	90.5	Very high	65 Å²	65	48.3 Å²	48.3	42%	0.422	26%	0.261	S	S	.	.			trans	-65.8	138.3	169.3	28.5	-34.8	0	0	0	111.1	I672	P666-I672 HydrophobicContact CB-CD1 3.89Å
667	T	87.5	Confident	91.1	Very high	75 Å²	75	43.2 Å²	43.2	46%	0.46	24%	0.237	S	C	.	.	S	Bend	trans	-102.2	-4.3	177.1	53	0	0	0	0	113.1	A644 P645 A647	A644-T667 VanDerWaalsContact CB-OG1 3.29Å; A644-T667 WeakPolarHBondContact CB-OG1 3.35Å; P645-T667 VanDerWaalsContact O-CG2 3.29Å; P645-T667 WeakPolarHBondContact O-CG2 3.37Å; P645-T667 PolarHBondContact O-OG1 2.82Å; A647-T667 HydrophobicContact CB-CG2 3.68Å
668	S	78.4	Confident	91.5	Very high	24 Å²	24	37.2 Å²	37.2	17%	0.168	22%	0.215	C	C	.	.	S	Bend	trans	-130	144.2	176.6	57	0	0	0	0	111.3	A644 I670	A644-S668 PolarHBondContact N-OG 3.27Å; S668-I670 PolarHBondContact O-N 2.88Å
669	S	74.5	Confident	91.8	Very high	133 Å²	133	36.6 Å²	36.6	93%	0.93	21%	0.212	S	C	*	.	S	Bend	trans	-74.6	5.5	170.7	50.8	0	0	0	0	114.6
670	I	80.4	Confident	92	Very high	24 Å²	24	35.1 Å²	35.1	12%	0.123	20%	0.202	C	C	.	.	S	Bend	trans	-70.8	134.8	172.1	-59.1	166.6	0	0	0	108.2	K638 S668	K638-I670 HydrophobicContact CB-CD1 4.31Å; K638-I670 WeakPolarHBondContact O-CD1 3.43Å; S668-I670 PolarHBondContact O-N 2.88Å
671	P	82.5	Confident	91.8	Very high	86 Å²	86	37.2 Å²	37.2	56%	0.558	21%	0.214	S	C	*	.			trans	-56.5	141.1	175.8	-26.1	35.3	0	0	0	113.1	N717	P671-N717 WeakPolarHBondContact O-CB 3.33Å
672	I	88.3	Confident	91.6	Very high	39 Å²	39	36.6 Å²	36.6	20%	0.2	21%	0.211	C	C	.	.			trans	-122.6	122.7	-179.3	-68.2	166.4	0	0	0	108.5	P643 P666 R674 Y675 A715 H716	P643-I672 HydrophobicContact CB-CD1 4.21Å; P643-I672 HydrophobicContact CB-CG1 3.85Å; P643-I672 HydrophobicContact CG-CG1 3.93Å; P666-I672 HydrophobicContact CB-CD1 3.89Å; I672-R674 VanDerWaalsContact CG2-O 3.3Å; I672-R674 WeakPolarHBondContact CG2-O 3.44Å; I672-Y675 HydrophobicContact CD1-CE1 4.07Å; I672-Y675 HydrophobicContact CG2-CD1 4.46Å; I672-Y675 HydrophobicContact CG2-CE1 4.03Å; I672-Y675 HydrophobicContact CG2-CE2 4.22Å; I672-A715 HydrophobicContact CD1-CB 3.81Å; I672-A715 HydrophobicContact CG1-CB 4.07Å; I672-A715 HydrophobicContact CG2-CB 3.99Å; I672-H716 CarbonylContact C-O 3.34Å
673	D	91.3	Very high	91.2	Very high	68 Å²	68	40 Å²	40	36%	0.364	24%	0.239	S	C	.	.	S	Bend	trans	-77.7	-25.8	179.3	-64.3	-22.7	0	0	0	112.5	V694 H716 N717 Q718	D673-V694 VanDerWaalsContact O-CG1 3.29Å; D673-V694 WeakPolarHBondContact O-CG1 3.34Å; D673-H716 PolarHBondContact N-O 3.09Å; D673-N717 VanDerWaalsContact OD2-CA 3.26Å; D673-N717 WeakPolarHBondContact OD2-CA 3.38Å; D673-Q718 PolarHBondContact OD2-N 3.29Å; D673-Q718 VanDerWaalsContact OD2-N 3.15Å
674	R	94.9	Very high	90.7	Very high	67 Å²	67	41.7 Å²	41.7	25%	0.253	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.9	163.9	-177.9	60	-176.9	-177.4	-73.8	-10.1	111.7	I672 G693 H716	I672-R674 VanDerWaalsContact CG2-O 3.3Å; I672-R674 WeakPolarHBondContact CG2-O 3.44Å; R674-G693 CarbonylContact C-O 3.52Å; R674-G693 WeakPolarHBondContact CA-O 3.28Å; R674-H716 HydrophobicContact CG-CB 3.77Å; R674-H716 VanDerWaalsContact CZ-CB 3.48Å; R674-H716 PolarHBondContact NH2-ND1 2.94Å; R674-H716 PolarHBondContact O-N 2.99Å
675	Y	97.7	Very high	90.3	Very high	12 Å²	12	43.3 Å²	43.3	5%	0.047	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	166.4	161.7	-57.9	-79.6	0	0	0	111.8	P646 W664 I672 R692 G693 V694 E695 T696 V713 K714 A715	P646-Y675 HydrophobicContact CB-CD1 4.31Å; P646-Y675 HydrophobicContact CB-CE1 3.96Å; P646-Y675 HydrophobicContact CG-CD1 4.01Å; P646-Y675 HydrophobicContact CG-CE1 4.1Å; W664-Y675 AromaticContact CD1-CD1 3.94Å; W664-Y675 AromaticContact CD1-CE1 3.95Å; W664-Y675 HydrophobicContact CZ2-CD2 4.41Å; W664-Y675 HydrophobicContact CZ2-CG 4.27Å; W664-Y675 AromaticContact NE1-CD1 3.38Å; W664-Y675 AromaticContact NE1-CD2 3.44Å; W664-Y675 AromaticContact NE1-CE1 3.74Å; W664-Y675 AromaticContact NE1-CE2 3.81Å; W664-Y675 AromaticContact NE1-CG 3.22Å; W664-Y675 AromaticContact NE1-CZ 3.95Å; I672-Y675 HydrophobicContact CD1-CE1 4.07Å; I672-Y675 HydrophobicContact CG2-CD1 4.46Å; I672-Y675 HydrophobicContact CG2-CE1 4.03Å; I672-Y675 HydrophobicContact CG2-CE2 4.22Å; Y675-R692 WeakPolarHBondContact O-CA 3.46Å; Y675-G693 PolarHBondContact N-O 3Å; Y675-G693 PolarHBondContact O-N 2.74Å; Y675-V694 WeakPolarHBondContact CE2-O 3.35Å; Y675-E695 WeakPolarHBondContact CD2-O 3.38Å; Y675-T696 HydrophobicContact CD2-CG2 4.33Å; Y675-T696 HydrophobicContact CE2-CG2 3.51Å; Y675-V713 HydrophobicContact CD1-CG2 4.27Å; Y675-K714 CarbonylContact C-O 3.55Å; Y675-K714 WeakPolarHBondContact CA-O 3.5Å; Y675-A715 HydrophobicContact CD1-CB 3.93Å; Y675-A715 HydrophobicContact CE1-CB 3.85Å
676	T	98.2	Very high	90.3	Very high	4 Å²	4	43.2 Å²	43.2	3%	0.025	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	120.3	160.4	-63.1	0	0	0	0	108.2	E678 K689 Y691 V713 K714 H716	T676-E678 HydrophobicContact CG2-CG 4.45Å; T676-K689 HydrophobicContact CG2-CB 4.43Å; T676-K689 HydrophobicContact CG2-CD 3.8Å; T676-K689 HydrophobicContact CG2-CG 3.76Å; T676-Y691 WeakPolarHBondContact CA-O 3.3Å; T676-V713 WeakPolarHBondContact O-CA 3.27Å; T676-K714 PolarHBondContact N-O 3.19Å; T676-K714 PolarHBondContact O-N 2.85Å; T676-H716 WeakPolarHBondContact CB-NE2 3.45Å; T676-H716 PolarHBondContact OG1-NE2 3.44Å
677	L	98.3	Very high	90.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	136.6	176.5	175.4	70.5	0	0	0	109.8	F648 L662 W664 L679 K689 V690 Y691 C698 V713	F648-L677 HydrophobicContact CE1-CD1 3.97Å; F648-L677 HydrophobicContact CZ-CD1 3.87Å; L662-L677 HydrophobicContact CB-CD2 4.22Å; L662-L677 HydrophobicContact CD1-CD1 4.26Å; L662-L677 HydrophobicContact CD1-CD2 3.91Å; W664-L677 HydrophobicContact CH2-CB 4.29Å; W664-L677 HydrophobicContact CH2-CD2 4.06Å; W664-L677 HydrophobicContact CZ3-CD1 4.37Å; W664-L677 HydrophobicContact CZ3-CD2 3.83Å; L677-L679 HydrophobicContact CD1-CD1 4.48Å; L677-L679 HydrophobicContact CD2-CD1 4.3Å; L677-L679 HydrophobicContact CG-CD1 4.16Å; L677-K689 WeakPolarHBondContact O-CA 3.45Å; L677-V690 HydrophobicContact CB-CG2 4.12Å; L677-V690 HydrophobicContact CD2-CG2 3.63Å; L677-V690 HydrophobicContact CG-CG2 3.65Å; L677-V690 PolarHBondContact O-N 3.03Å; L677-Y691 HydrophobicContact CB-CD1 4.4Å; L677-Y691 PolarHBondContact N-O 3.07Å; L677-Y691 PolarHBondContact O-N 3.17Å; L677-C698 HydrophobicContact CD2-CB 3.8Å; L677-V713 HydrophobicContact CD1-CB 3.94Å
678	E	97.9	Very high	90.8	Very high	8 Å²	8	46.9 Å²	46.9	4%	0.037	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.2	177.2	-70	169.5	-164.7	0	0	111.2	T676 F687 R688 K689 A711 R712 Y724	T676-E678 HydrophobicContact CG2-CG 4.45Å; E678-F687 HydrophobicContact CB-CB 4.26Å; E678-F687 HydrophobicContact CB-CD1 4.07Å; E678-R688 WeakPolarHBondContact CA-O 3.33Å; E678-R688 WeakPolarHBondContact CB-O 3.39Å; E678-K689 HydrophobicContact CG-CB 4.27Å; E678-K689 HydrophobicContact CG-CG 3.55Å; E678-K689 WeakPolarHBondContact OE1-CE 3.36Å; E678-K689 WeakPolarHBondContact OE1-CG 3.49Å; E678-A711 CarbonylContact O-C 3.6Å; E678-A711 WeakPolarHBondContact O-CA 3.4Å; E678-R712 HydrophobicContact CB-CG 3.98Å; E678-R712 PolarHBondContact N-O 2.9Å; E678-R712 PolarHBondContact O-N 3.18Å; E678-R712 IonicContact OE2-CZ 3.67Å; E678-R712 IonicContact OE2-NE 2.72Å; E678-R712 PolarHBondContact OE2-NE 2.89Å; E678-R712 IonicContact OE2-NH2 4Å; E678-R712 PolarHBondContact OE2-NH2 3.07Å; E678-Y724 HydrophobicContact CG-CE1 4.36Å; E678-Y724 PolarHBondContact OE1-OH 2.91Å; E678-Y724 WeakPolarHBondContact OE2-CE1 3.23Å; E678-Y724 PolarHBondContact OE2-OH 3.47Å; E678-Y724 VanDerWaalsContact OE2-OH 3.14Å
679	L	96.8	Very high	91.7	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	156.5	164.8	-79	68.8	0	0	0	108.6	L662 L677 F687 R688 V690 V700 L703 Y709 R710 A711	L662-L679 HydrophobicContact CD1-CD1 3.6Å; L662-L679 HydrophobicContact CD1-CD2 4.35Å; L662-L679 HydrophobicContact CD1-CG 4.29Å; L677-L679 HydrophobicContact CD1-CD1 4.48Å; L677-L679 HydrophobicContact CD2-CD1 4.3Å; L677-L679 HydrophobicContact CG-CD1 4.16Å; L679-F687 CarbonylContact O-C 3.46Å; L679-F687 WeakPolarHBondContact O-CA 3.43Å; L679-R688 PolarHBondContact N-O 3.37Å; L679-R688 VanDerWaalsContact N-O 3.13Å; L679-R688 PolarHBondContact O-N 2.92Å; L679-V690 HydrophobicContact CB-CG1 4.36Å; L679-V690 HydrophobicContact CD1-CG1 4.14Å; L679-V690 HydrophobicContact CD1-CG2 3.59Å; L679-V700 HydrophobicContact CD1-CG2 4.22Å; L679-V700 HydrophobicContact CD2-CG1 4.43Å; L679-V700 HydrophobicContact CD2-CG2 4.42Å; L679-L703 HydrophobicContact CD2-CD1 4.47Å; L679-Y709 HydrophobicContact CB-CD1 4.4Å; L679-Y709 HydrophobicContact CD2-CD1 4.12Å; L679-Y709 HydrophobicContact CD2-CG 4.35Å; L679-R710 WeakPolarHBondContact CA-O 3.47Å; L679-A711 HydrophobicContact CD1-CB 4.25Å; L679-A711 HydrophobicContact CG-CB 4.2Å
680	D	95.8	Very high	92.7	Very high	7 Å²	7	49.1 Å²	49.1	4%	0.037	28%	0.275	C	S	.	.			trans	-82.2	-167.3	163.6	70	-6.5	0	0	0	112.7	G682 T686 F687 Y709 R710	D680-G682 VanDerWaalsContact C-N 3.29Å; D680-G682 PolarHBondContact O-N 3Å; D680-G682 PolarHBondContact OD1-N 3.01Å; D680-T686 WeakPolarHBondContact CA-O 3.24Å; D680-F687 HydrophobicContact CB-CD1 4.43Å; D680-F687 HydrophobicContact CB-CG 4.49Å; D680-Y709 VanDerWaalsContact O-CD1 3.29Å; D680-Y709 WeakPolarHBondContact O-CD1 3.48Å; D680-Y709 WeakPolarHBondContact O-CE1 3.38Å; D680-Y709 WeakPolarHBondContact OD1-CA 3.14Å; D680-R710 PolarHBondContact N-O 3.11Å; D680-R710 VanDerWaalsContact N-O 3.15Å; D680-R710 PolarHBondContact OD1-N 2.81Å; D680-R710 IonicContact OD2-CZ 2.66Å; D680-R710 IonicContact OD2-NE 3.13Å; D680-R710 PolarHBondContact OD2-NE 3.07Å; D680-R710 IonicContact OD2-NH2 2.8Å; D680-R710 PolarHBondContact OD2-NH2 3.45Å
681	D	91.4	Very high	93.6	Very high	44 Å²	44	50.4 Å²	50.4	24%	0.235	28%	0.278	C	S	.	.			trans	-85.2	6.3	-178.6	49.7	35.8	0	0	0	114.1	A683 G684 G685 T686 Y709 R776	D681-A683 PolarHBondContact O-N 3.1Å; D681-A683 WeakPolarHBondContact OD1-CA 3.23Å; D681-A683 PolarHBondContact OD1-N 3.46Å; D681-G684 PolarHBondContact OD1-N 3.3Å; D681-G685 PolarHBondContact OD1-N 3.01Å; D681-G685 WeakPolarHBondContact OD2-CA 3.47Å; D681-T686 PolarHBondContact OD2-N 2.72Å; D681-T686 VanDerWaalsContact OD2-N 3.15Å; D681-Y709 VanDerWaalsContact C-CE1 3.44Å; D681-R776 VanDerWaalsContact O-CZ 3.32Å; D681-R776 PolarHBondContact O-NH1 2.89Å; D681-R776 PolarHBondContact O-NH2 3.02Å
682	G	91.3	Very high	94.2	Very high	8 Å²	8	54.9 Å²	54.9	8%	0.082	28%	0.284	C	S	.	.	S	Bend	trans	70.3	4.8	-176.5	0	0	0	0	0	114.7	D680 V708 Y709	D680-G682 VanDerWaalsContact C-N 3.29Å; D680-G682 PolarHBondContact O-N 3Å; D680-G682 PolarHBondContact OD1-N 3.01Å; G682-V708 WeakPolarHBondContact CA-O 3.3Å; G682-V708 PolarHBondContact O-N 3.01Å; G682-Y709 VanDerWaalsContact N-CE1 3.3Å
683	A	87.9	Confident	94.5	Very high	71 Å²	71	54 Å²	54	59%	0.587	28%	0.284	S	S	*	.	S	Bend	trans	-121	17.6	174.9	0	0	0	0	0	111.9	D681	D681-A683 PolarHBondContact O-N 3.1Å; D681-A683 WeakPolarHBondContact OD1-CA 3.23Å; D681-A683 PolarHBondContact OD1-N 3.46Å
684	G	86.7	Confident	94.6	Very high	42 Å²	42	55 Å²	55	43%	0.433	29%	0.292	S	S	.	.	S	Bend	trans	83.1	5.3	176.7	0	0	0	0	0	115.5	D681 R710	D681-G684 PolarHBondContact OD1-N 3.3Å; G684-R710 PolarHBondContact O-NH2 3.27Å
685	G	90.3	Very high	94.6	Very high	35 Å²	35	57.4 Å²	57.4	36%	0.361	31%	0.307	S	S	.	.			trans	-85.3	-131.3	-178.2	0	0	0	0	0	114.6	D681 R710	D681-G685 PolarHBondContact OD1-N 3.01Å; D681-G685 WeakPolarHBondContact OD2-CA 3.47Å; G685-R710 PolarHBondContact O-NH2 3.49Å
686	T	93.2	Very high	94.5	Very high	92 Å²	92	59.2 Å²	59.2	56%	0.564	32%	0.319	S	S	*	.			trans	-88.4	132.9	-163.6	56.5	0	0	0	0	113.8	D680 D681	D680-T686 WeakPolarHBondContact CA-O 3.24Å; D681-T686 PolarHBondContact OD2-N 2.72Å; D681-T686 VanDerWaalsContact OD2-N 3.15Å
687	F	96.5	Very high	94.3	Very high	42 Å²	42	64 Å²	64	18%	0.184	34%	0.342	C	S	.	.			trans	-64.7	133.9	170.9	-75.7	-87.8	0	0	0	112.1	E678 L679 D680 R710 R712	E678-F687 HydrophobicContact CB-CB 4.26Å; E678-F687 HydrophobicContact CB-CD1 4.07Å; L679-F687 CarbonylContact O-C 3.46Å; L679-F687 WeakPolarHBondContact O-CA 3.43Å; D680-F687 HydrophobicContact CB-CD1 4.43Å; D680-F687 HydrophobicContact CB-CG 4.49Å; F687-R710 HydrophobicContact CE1-CB 4.29Å; F687-R710 WeakPolarHBondContact CE1-O 3.4Å; F687-R710 HydrophobicContact CZ-CB 4.03Å; F687-R712 HydrophobicContact CD1-CG 3.75Å; F687-R712 HydrophobicContact CE1-CB 4.29Å; F687-R712 HydrophobicContact CE1-CG 3.65Å; F687-R712 HydrophobicContact CZ-CG 4.43Å
688	R	95.3	Very high	94.2	Very high	174 Å²	174	64.6 Å²	64.6	66%	0.657	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.2	144	176.2	-62.2	-176.5	179.5	-167.1	1.1	109.8	E678 L679 V690	E678-R688 WeakPolarHBondContact CA-O 3.33Å; E678-R688 WeakPolarHBondContact CB-O 3.39Å; L679-R688 PolarHBondContact N-O 3.37Å; L679-R688 VanDerWaalsContact N-O 3.13Å; L679-R688 PolarHBondContact O-N 2.92Å; R688-V690 PolarHBondContact O-N 3Å
689	K	97.1	Very high	94.1	Very high	144 Å²	144	67.5 Å²	67.5	63%	0.626	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	117.3	178.2	-66.5	174.4	-176.4	177.5	0	109.6	T676 L677 E678	T676-K689 HydrophobicContact CG2-CB 4.43Å; T676-K689 HydrophobicContact CG2-CD 3.8Å; T676-K689 HydrophobicContact CG2-CG 3.76Å; L677-K689 WeakPolarHBondContact O-CA 3.45Å; E678-K689 HydrophobicContact CG-CB 4.27Å; E678-K689 HydrophobicContact CG-CG 3.55Å; E678-K689 WeakPolarHBondContact OE1-CE 3.36Å; E678-K689 WeakPolarHBondContact OE1-CG 3.49Å
690	V	96.1	Very high	94	Very high	61 Å²	61	68.1 Å²	68.1	37%	0.37	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-29.3	177.2	-64	0	0	0	0	112.2	L677 L679 R688 V700	L677-V690 HydrophobicContact CB-CG2 4.12Å; L677-V690 HydrophobicContact CD2-CG2 3.63Å; L677-V690 HydrophobicContact CG-CG2 3.65Å; L677-V690 PolarHBondContact O-N 3.03Å; L679-V690 HydrophobicContact CB-CG1 4.36Å; L679-V690 HydrophobicContact CD1-CG1 4.14Å; L679-V690 HydrophobicContact CD1-CG2 3.59Å; R688-V690 PolarHBondContact O-N 3Å; V690-V700 HydrophobicContact CB-CG1 4.45Å; V690-V700 HydrophobicContact CB-CG2 4.17Å; V690-V700 HydrophobicContact CG1-CG1 4.14Å; V690-V700 HydrophobicContact CG2-CG2 3.91Å
691	Y	97.7	Very high	93.8	Very high	51 Å²	51	74.7 Å²	74.7	20%	0.2	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	146.7	-174.9	170.3	-88.2	0	0	0	112.3	W664 T676 L677 G693 V694 E695 C698	W664-Y691 AromaticContact CH2-CD1 3.94Å; W664-Y691 HydrophobicContact CH2-CD1 3.94Å; W664-Y691 HydrophobicContact CH2-CE1 4.12Å; W664-Y691 HydrophobicContact CZ2-CD1 4.11Å; W664-Y691 AromaticContact CZ2-CE1 3.97Å; W664-Y691 HydrophobicContact CZ2-CE1 3.97Å; T676-Y691 WeakPolarHBondContact CA-O 3.3Å; L677-Y691 HydrophobicContact CB-CD1 4.4Å; L677-Y691 PolarHBondContact N-O 3.07Å; L677-Y691 PolarHBondContact O-N 3.17Å; Y691-G693 VanDerWaalsContact OH-CA 3.23Å; Y691-G693 WeakPolarHBondContact OH-CA 3.36Å; Y691-V694 PolarHBondContact OH-N 2.95Å; Y691-E695 VanDerWaalsContact OH-CB 3.26Å; Y691-E695 WeakPolarHBondContact OH-CB 3.44Å; Y691-E695 PolarHBondContact OH-N 3.27Å; Y691-C698 WeakPolarHBondContact CB-SG 3.11Å; Y691-C698 HydrophobicContact CD1-CB 4.36Å; Y691-C698 HydrophobicContact CD2-CB 4.1Å; Y691-C698 HydrophobicContact CG-CB 3.91Å
692	R	96.2	Very high	93.6	Very high	179 Å²	179	75.6 Å²	75.6	68%	0.675	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.2	108.1	174.9	-179.7	-171.7	175.6	-157.1	-2.4	109.6	Y675	Y675-R692 WeakPolarHBondContact O-CA 3.46Å
693	G	94.2	Very high	93.6	Very high	20 Å²	20	76.3 Å²	76.3	21%	0.206	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	-173.3	-178.4	0	0	0	0	0	111.5	R674 Y675 Y691	R674-G693 CarbonylContact C-O 3.52Å; R674-G693 WeakPolarHBondContact CA-O 3.28Å; Y675-G693 PolarHBondContact N-O 3Å; Y675-G693 PolarHBondContact O-N 2.74Å; Y691-G693 VanDerWaalsContact OH-CA 3.23Å; Y691-G693 WeakPolarHBondContact OH-CA 3.36Å
694	V	94	Very high	93.8	Very high	89 Å²	89	75.7 Å²	75.7	54%	0.539	41%	0.406	S	S	.	.	S	Bend	trans	-85.4	-22.6	-177.5	-70.2	0	0	0	0	114.2	D673 Y675 Y691	D673-V694 VanDerWaalsContact O-CG1 3.29Å; D673-V694 WeakPolarHBondContact O-CG1 3.34Å; Y675-V694 WeakPolarHBondContact CE2-O 3.35Å; Y691-V694 PolarHBondContact OH-N 2.95Å
695	E	93.8	Very high	94	Very high	118 Å²	118	74.1 Å²	74.1	55%	0.551	39%	0.387	S	S	*	.			trans	-64.1	150.3	-179.1	-47.3	-51.8	138.4	0	0	111.5	W664 Y675 Y691	W664-E695 VanDerWaalsContact CZ2-O 3.26Å; W664-E695 WeakPolarHBondContact CZ2-O 3.44Å; Y675-E695 WeakPolarHBondContact CD2-O 3.38Å; Y691-E695 VanDerWaalsContact OH-CB 3.26Å; Y691-E695 WeakPolarHBondContact OH-CB 3.44Å; Y691-E695 PolarHBondContact OH-N 3.27Å
696	T	96.2	Very high	94	Very high	51 Å²	51	80 Å²	80	31%	0.313	40%	0.398	S	S	.	.	S	Bend	trans	-99.8	16.7	175.8	62.2	0	0	0	0	113.5	V663 W664 Y675	V663-T696 WeakPolarHBondContact CA-O 3.46Å; W664-T696 PolarHBondContact N-O 3.05Å; W664-T696 WeakPolarHBondContact O-CB 3.18Å; W664-T696 PolarHBondContact O-OG1 3.3Å; Y675-T696 HydrophobicContact CD2-CG2 4.33Å; Y675-T696 HydrophobicContact CE2-CG2 3.51Å
697	M	94.5	Very high	93.9	Very high	103 Å²	103	76 Å²	76	51%	0.507	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	141.3	177.8	177.7	-179.6	-74.6	0	0	109.7	T661 L662 V663	T661-M697 HydrophobicContact CG2-CG 4.03Å; T661-M697 HydrophobicContact CG2-SD 4.34Å; L662-M697 CarbonylContact O-C 3.3Å; L662-M697 WeakPolarHBondContact O-CA 3.45Å; V663-M697 HydrophobicContact CG1-CE 4.26Å; V663-M697 HydrophobicContact CG2-CE 3.69Å; V663-M697 HydrophobicContact CG2-CG 4.23Å
698	C	95	Very high	93.8	Very high	14 Å²	14	77.2 Å²	77.2	10%	0.095	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	129.3	171.7	169	0	0	0	0	111.4	L662 W664 L677 Y691	L662-C698 PolarHBondContact N-O 3.01Å; L662-C698 PolarHBondContact O-N 3.47Å; W664-C698 HydrophobicContact CH2-CB 3.78Å; W664-C698 HydrophobicContact CZ3-CB 4.01Å; L677-C698 HydrophobicContact CD2-CB 3.8Å; Y691-C698 WeakPolarHBondContact CB-SG 3.11Å; Y691-C698 HydrophobicContact CD1-CB 4.36Å; Y691-C698 HydrophobicContact CD2-CB 4.1Å; Y691-C698 HydrophobicContact CG-CB 3.91Å
699	T	95.4	Very high	93.7	Very high	69 Å²	69	69.3 Å²	69.3	42%	0.423	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	133.6	167.5	-53	0	0	0	0	109.9	V659 T661 E701	V659-T699 HydrophobicContact CG1-CG2 3.35Å; T661-T699 PolarHBondContact OG1-OG1 3.44Å; T699-E701 HydrophobicContact CG2-CG 4.1Å
700	V	94.7	Very high	93.7	Very high	16 Å²	16	65.7 Å²	65.7	10%	0.097	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	114.2	176.7	-169.2	0	0	0	0	108.3	V659 I660 L679 V690 L703	V659-V700 WeakPolarHBondContact CA-O 3.45Å; I660-V700 PolarHBondContact N-O 3.26Å; I660-V700 PolarHBondContact O-N 2.9Å; L679-V700 HydrophobicContact CD1-CG2 4.22Å; L679-V700 HydrophobicContact CD2-CG1 4.43Å; L679-V700 HydrophobicContact CD2-CG2 4.42Å; V690-V700 HydrophobicContact CB-CG1 4.45Å; V690-V700 HydrophobicContact CB-CG2 4.17Å; V690-V700 HydrophobicContact CG1-CG1 4.14Å; V690-V700 HydrophobicContact CG2-CG2 3.91Å; V700-L703 HydrophobicContact CG1-CD2 3.85Å; V700-L703 HydrophobicContact CG1-CG 4.4Å
701	E	91.5	Very high	93.8	Very high	146 Å²	146	62.9 Å²	62.9	68%	0.682	32%	0.321	S	S	*	.			trans	-103.4	169.3	-176.5	-58.1	-176	175.8	0	0	111.9	V659 T699 L703	V659-E701 HydrophobicContact CG1-CG 3.92Å; V659-E701 HydrophobicContact CG2-CB 4.23Å; V659-E701 HydrophobicContact CG2-CG 4Å; T699-E701 HydrophobicContact CG2-CG 4.1Å; E701-L703 VanDerWaalsContact C-N 3.32Å; E701-L703 PolarHBondContact O-N 2.89Å
702	G	87.7	Confident	93.8	Very high	63 Å²	63	62.8 Å²	62.8	65%	0.649	32%	0.32	S	S	*	.	S	Bend	trans	71.5	23.5	171.9	0	0	0	0	0	114.6	N658	N658-G702 PolarHBondContact O-N 2.81Å
703	L	92.3	Very high	93.8	Very high	22 Å²	22	54.3 Å²	54.3	12%	0.115	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-71.9	167.8	178.7	-58.3	179.7	0	0	0	111.7	N658 I660 L679 V700 E701 Y709 T732	N658-L703 HydrophobicContact CB-CB 4.35Å; N658-L703 VanDerWaalsContact CB-O 3.27Å; N658-L703 WeakPolarHBondContact CB-O 3.18Å; N658-L703 PolarHBondContact ND2-O 3.4Å; N658-L703 WeakPolarHBondContact O-CB 3.27Å; N658-L703 PolarHBondContact O-N 3.34Å; N658-L703 VanDerWaalsContact O-N 3.1Å; I660-L703 HydrophobicContact CB-CD1 3.95Å; I660-L703 HydrophobicContact CD1-CD1 3.66Å; I660-L703 HydrophobicContact CG1-CD1 3.92Å; L679-L703 HydrophobicContact CD2-CD1 4.47Å; V700-L703 HydrophobicContact CG1-CD2 3.85Å; V700-L703 HydrophobicContact CG1-CG 4.4Å; E701-L703 VanDerWaalsContact C-N 3.32Å; E701-L703 PolarHBondContact O-N 2.89Å; L703-Y709 HydrophobicContact CB-CE2 3.77Å; L703-Y709 HydrophobicContact CD1-CD2 4.15Å; L703-Y709 HydrophobicContact CD1-CE2 4.14Å; L703-Y709 HydrophobicContact CD1-CG 4.43Å; L703-Y709 HydrophobicContact CD2-CD1 4.45Å; L703-Y709 HydrophobicContact CD2-CE1 3.88Å; L703-Y709 HydrophobicContact CD2-CE2 4.4Å; L703-Y709 HydrophobicContact CG-CE2 4.33Å; L703-T732 HydrophobicContact CB-CG2 4.04Å; L703-T732 HydrophobicContact CD1-CG2 4.33Å
704	H	91.6	Very high	94	Very high	58 Å²	58	53.8 Å²	53.8	27%	0.269	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-78	135.9	171.5	-59.1	-62.8	0	0	0	110	S707 Y709 T732 S775 R776	H704-S707 WeakPolarHBondContact CB-OG 3.3Å; H704-S707 WeakPolarHBondContact O-CB 3.43Å; H704-S707 PolarHBondContact O-OG 3.43Å; H704-Y709 PolarHBondContact CD2-OH 2.88Å; H704-Y709 VanDerWaalsContact CD2-OH 3.3Å; H704-Y709 PolarHBondContact N-OH 2.74Å; H704-T732 WeakPolarHBondContact O-CG2 3.39Å; H704-T732 PolarHBondContact O-OG1 2.96Å; H704-S775 PolarHBondContact CE1-OG 3.38Å; H704-S775 VanDerWaalsContact CE1-OG 3.31Å; H704-R776 VanDerWaalsContact CD2-CZ 3.4Å; H704-R776 PolarHBondContact CD2-NH1 3.06Å; H704-R776 PolarHBondContact CD2-NH2 3.07Å
705	F	91.8	Very high	94.1	Very high	10 Å²	10	49.6 Å²	49.6	4%	0.044	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	165.3	170.7	-66	-76.9	0	0	0	112.2	R657 N658 S707 T732 F735 T736 W737 T772	R657-F705 HydrophobicContact CB-CE1 4.22Å; N658-F705 HydrophobicContact CB-CD1 4.01Å; N658-F705 HydrophobicContact CB-CE1 3.69Å; N658-F705 HydrophobicContact CB-CE2 4.36Å; N658-F705 HydrophobicContact CB-CG 4.45Å; N658-F705 HydrophobicContact CB-CZ 3.87Å; F705-S707 PolarHBondContact O-N 3.43Å; F705-S707 PolarHBondContact O-OG 2.92Å; F705-T732 VanDerWaalsContact C-OG1 3.29Å; F705-T732 WeakPolarHBondContact CA-OG1 3.47Å; F705-F735 WeakPolarHBondContact CD1-O 3.41Å; F705-T736 HydrophobicContact CD2-CG2 3.89Å; F705-T736 HydrophobicContact CE2-CG2 3.85Å; F705-W737 HydrophobicContact CE1-CB 4.24Å; F705-W737 HydrophobicContact CZ-CB 4.33Å; F705-W737 VanDerWaalsContact CZ-O 3.3Å; F705-W737 WeakPolarHBondContact CZ-O 3.41Å; F705-T772 HydrophobicContact CE2-CG2 3.72Å; F705-T772 HydrophobicContact CZ-CG2 4.14Å
706	R	89	Confident	94.2	Very high	157 Å²	157	44.5 Å²	44.5	59%	0.592	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.7	31.7	175.5	-156.3	174.3	-176.3	176.4	4.7	113.8	T732 S733 D734	R706-T732 PolarHBondContact N-OG1 3.32Å; R706-T732 VanDerWaalsContact N-OG1 3.1Å; R706-S733 PolarHBondContact N-O 3.24Å; R706-D734 HydrophobicContact CG-CB 4.27Å
707	S	91.1	Very high	93.9	Very high	9 Å²	9	42.8 Å²	42.8	6%	0.063	22%	0.22	C	C	.	.			trans	-122	145.8	-173.8	-62.4	0	0	0	0	110.6	H704 F705 Q731 T732 R776	H704-S707 WeakPolarHBondContact CB-OG 3.3Å; H704-S707 WeakPolarHBondContact O-CB 3.43Å; H704-S707 PolarHBondContact O-OG 3.43Å; F705-S707 PolarHBondContact O-N 3.43Å; F705-S707 PolarHBondContact O-OG 2.92Å; S707-Q731 WeakPolarHBondContact O-CA 3.3Å; S707-T732 PolarHBondContact N-OG1 3.09Å; S707-T732 PolarHBondContact O-N 2.79Å; S707-T732 PolarHBondContact O-OG1 2.8Å; S707-T732 VanDerWaalsContact O-OG1 3.12Å; S707-R776 PolarHBondContact OG-NH2 3.18Å
708	V	93.7	Very high	93.6	Very high	67 Å²	67	46.7 Å²	46.7	41%	0.406	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	105.5	-179.8	-177.6	0	0	0	0	109	G682 C729 Q731	G682-V708 WeakPolarHBondContact CA-O 3.3Å; G682-V708 PolarHBondContact O-N 3.01Å; V708-C729 HydrophobicContact CG1-CB 4.02Å; V708-Q731 HydrophobicContact CG2-CB 4.17Å; V708-Q731 HydrophobicContact CG2-CG 4.12Å
709	Y	95.2	Very high	93.2	Very high	9 Å²	9	48.7 Å²	48.7	4%	0.035	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	132.3	-178.8	-75.4	-90.8	0	0	0	111	I660 L679 D680 D681 G682 L703 H704 C729 L730 T732	I660-Y709 HydrophobicContact CD1-CD2 4.21Å; I660-Y709 HydrophobicContact CD1-CG 4.47Å; L679-Y709 HydrophobicContact CB-CD1 4.4Å; L679-Y709 HydrophobicContact CD2-CD1 4.12Å; L679-Y709 HydrophobicContact CD2-CG 4.35Å; D680-Y709 VanDerWaalsContact O-CD1 3.29Å; D680-Y709 WeakPolarHBondContact O-CD1 3.48Å; D680-Y709 WeakPolarHBondContact O-CE1 3.38Å; D680-Y709 WeakPolarHBondContact OD1-CA 3.14Å; D681-Y709 VanDerWaalsContact C-CE1 3.44Å; G682-Y709 VanDerWaalsContact N-CE1 3.3Å; L703-Y709 HydrophobicContact CB-CE2 3.77Å; L703-Y709 HydrophobicContact CD1-CD2 4.15Å; L703-Y709 HydrophobicContact CD1-CE2 4.14Å; L703-Y709 HydrophobicContact CD1-CG 4.43Å; L703-Y709 HydrophobicContact CD2-CD1 4.45Å; L703-Y709 HydrophobicContact CD2-CE1 3.88Å; L703-Y709 HydrophobicContact CD2-CE2 4.4Å; L703-Y709 HydrophobicContact CG-CE2 4.33Å; H704-Y709 PolarHBondContact CD2-OH 2.88Å; H704-Y709 VanDerWaalsContact CD2-OH 3.3Å; H704-Y709 PolarHBondContact N-OH 2.74Å; Y709-C729 WeakPolarHBondContact O-CA 3.4Å; Y709-L730 PolarHBondContact N-O 3.46Å; Y709-L730 PolarHBondContact O-N 2.98Å; Y709-T732 HydrophobicContact CD2-CG2 3.97Å; Y709-T732 HydrophobicContact CE2-CG2 3.88Å
710	R	96.2	Very high	93	Very high	68 Å²	68	46.7 Å²	46.7	26%	0.257	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	121.4	172.2	-62.8	175.4	-59	-176.7	7.9	108.8	L679 D680 G684 G685 F687 I728	L679-R710 WeakPolarHBondContact CA-O 3.47Å; D680-R710 PolarHBondContact N-O 3.11Å; D680-R710 VanDerWaalsContact N-O 3.15Å; D680-R710 PolarHBondContact OD1-N 2.81Å; D680-R710 IonicContact OD2-CZ 2.66Å; D680-R710 IonicContact OD2-NE 3.13Å; D680-R710 PolarHBondContact OD2-NE 3.07Å; D680-R710 IonicContact OD2-NH2 2.8Å; D680-R710 PolarHBondContact OD2-NH2 3.45Å; G684-R710 PolarHBondContact O-NH2 3.27Å; G685-R710 PolarHBondContact O-NH2 3.49Å; F687-R710 HydrophobicContact CE1-CB 4.29Å; F687-R710 WeakPolarHBondContact CE1-O 3.4Å; F687-R710 HydrophobicContact CZ-CB 4.03Å; R710-I728 CarbonylContact C-O 3.6Å; R710-I728 WeakPolarHBondContact CA-O 3.38Å
711	A	97.3	Very high	93	Very high	2 Å²	2	50.8 Å²	50.8	2%	0.017	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	146	178.3	0	0	0	0	0	111.8	F648 L662 E678 L679 R727 I728	F648-A711 HydrophobicContact CE2-CB 4.39Å; F648-A711 HydrophobicContact CZ-CB 3.87Å; L662-A711 HydrophobicContact CD1-CB 3.85Å; L662-A711 HydrophobicContact CD2-CB 3.68Å; L662-A711 HydrophobicContact CG-CB 4.45Å; E678-A711 CarbonylContact O-C 3.6Å; E678-A711 WeakPolarHBondContact O-CA 3.4Å; L679-A711 HydrophobicContact CD1-CB 4.25Å; L679-A711 HydrophobicContact CG-CB 4.2Å; A711-R727 WeakPolarHBondContact O-CA 3.08Å; A711-I728 HydrophobicContact CB-CG1 4.11Å; A711-I728 PolarHBondContact N-O 3.23Å; A711-I728 PolarHBondContact O-N 2.98Å
712	R	97.5	Very high	93.2	Very high	49 Å²	49	44.2 Å²	44.2	19%	0.185	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	141.5	172.7	68.1	-178.9	-170.4	-177	1.9	111.4	E678 F687 Y724 R727	E678-R712 HydrophobicContact CB-CG 3.98Å; E678-R712 PolarHBondContact N-O 2.9Å; E678-R712 PolarHBondContact O-N 3.18Å; E678-R712 IonicContact OE2-CZ 3.67Å; E678-R712 IonicContact OE2-NE 2.72Å; E678-R712 PolarHBondContact OE2-NE 2.89Å; E678-R712 IonicContact OE2-NH2 4Å; E678-R712 PolarHBondContact OE2-NH2 3.07Å; F687-R712 HydrophobicContact CD1-CG 3.75Å; F687-R712 HydrophobicContact CE1-CB 4.29Å; F687-R712 HydrophobicContact CE1-CG 3.65Å; F687-R712 HydrophobicContact CZ-CG 4.43Å; R712-Y724 HydrophobicContact CB-CD1 4.09Å; R712-Y724 HydrophobicContact CG-CD1 3.57Å; R712-Y724 HydrophobicContact CG-CE1 4.03Å; R712-Y724 HydrophobicContact CG-CG 4.2Å; R712-R727 HydrophobicContact CB-CG 4.49Å
713	V	98.1	Very high	93.6	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	144.2	-178.5	54.9	0	0	0	0	111.6	P646 F648 W664 Y675 T676 L677 Y724 S725	P646-V713 HydrophobicContact CB-CG1 4.45Å; P646-V713 HydrophobicContact CG-CB 4.46Å; P646-V713 HydrophobicContact CG-CG1 4.02Å; P646-V713 HydrophobicContact CG-CG2 4.02Å; F648-V713 HydrophobicContact CD1-CG1 4.29Å; F648-V713 HydrophobicContact CD2-CG1 4.42Å; F648-V713 HydrophobicContact CE1-CB 4.38Å; F648-V713 HydrophobicContact CE1-CG1 3.77Å; F648-V713 HydrophobicContact CE2-CG1 3.96Å; F648-V713 HydrophobicContact CZ-CB 4.11Å; F648-V713 HydrophobicContact CZ-CG1 3.61Å; W664-V713 HydrophobicContact CB-CG1 4.13Å; W664-V713 HydrophobicContact CD2-CB 4.5Å; W664-V713 HydrophobicContact CD2-CG1 4.31Å; W664-V713 HydrophobicContact CD2-CG2 4Å; W664-V713 HydrophobicContact CG-CG1 4.04Å; W664-V713 HydrophobicContact CG-CG2 4.21Å; W664-V713 HydrophobicContact CZ2-CG2 4.25Å; Y675-V713 HydrophobicContact CD1-CG2 4.27Å; T676-V713 WeakPolarHBondContact O-CA 3.27Å; L677-V713 HydrophobicContact CD1-CB 3.94Å; V713-Y724 CarbonylContact O-C 3.5Å; V713-Y724 WeakPolarHBondContact O-CA 3.23Å; V713-S725 PolarHBondContact N-OG 3.01Å; V713-S725 WeakPolarHBondContact O-CB 3.27Å; V713-S725 PolarHBondContact O-N 3.47Å
714	K	97.2	Very high	93.8	Very high	10 Å²	10	51 Å²	51	4%	0.043	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	153.7	171	63.2	174	169.6	-174.7	0	112	Y675 T676 E721 S722 Y724	Y675-K714 CarbonylContact C-O 3.55Å; Y675-K714 WeakPolarHBondContact CA-O 3.5Å; T676-K714 PolarHBondContact N-O 3.19Å; T676-K714 PolarHBondContact O-N 2.85Å; K714-E721 HydrophobicContact CD-CB 4.47Å; K714-E721 VanDerWaalsContact CE-OE2 3.32Å; K714-E721 WeakPolarHBondContact CE-OE2 3.49Å; K714-E721 IonicContact NZ-OE1 3.18Å; K714-E721 PolarHBondContact NZ-OE1 3.12Å; K714-E721 IonicContact NZ-OE2 3.59Å; K714-E721 PolarHBondContact NZ-OE2 3.42Å; K714-S722 WeakPolarHBondContact CA-OG 3.27Å; K714-S722 WeakPolarHBondContact CB-OG 3.41Å; K714-Y724 HydrophobicContact CB-CD1 3.99Å; K714-Y724 HydrophobicContact CB-CE1 4.34Å; K714-Y724 HydrophobicContact CB-CG 4.29Å; K714-Y724 HydrophobicContact CD-CD1 4.22Å; K714-Y724 HydrophobicContact CD-CD2 4.36Å; K714-Y724 HydrophobicContact CD-CE1 3.84Å; K714-Y724 HydrophobicContact CD-CE2 3.96Å; K714-Y724 HydrophobicContact CD-CG 4.48Å; K714-Y724 VanDerWaalsContact CE-CZ 3.45Å; K714-Y724 VanDerWaalsContact CE-OH 3.24Å; K714-Y724 WeakPolarHBondContact CE-OH 3.35Å; K714-Y724 HydrophobicContact CG-CD1 4Å; K714-Y724 HydrophobicContact CG-CE1 3.82Å; K714-Y724 PolarHBondContact NZ-OH 2.96Å
715	A	96.7	Very high	94.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	158.3	176.5	0	0	0	0	0	111.2	P643 P646 I672 Y675 E721 S722	P643-A715 HydrophobicContact CB-CB 3.82Å; P643-A715 HydrophobicContact CG-CB 4.12Å; P646-A715 HydrophobicContact CG-CB 4.28Å; I672-A715 HydrophobicContact CD1-CB 3.81Å; I672-A715 HydrophobicContact CG1-CB 4.07Å; I672-A715 HydrophobicContact CG2-CB 3.99Å; Y675-A715 HydrophobicContact CD1-CB 3.93Å; Y675-A715 HydrophobicContact CE1-CB 3.85Å; A715-E721 CarbonylContact O-C 3.51Å; A715-E721 WeakPolarHBondContact O-CA 3.42Å; A715-S722 PolarHBondContact N-OG 2.99Å; A715-S722 PolarHBondContact O-N 3.47Å
716	H	94.9	Very high	94.2	Very high	11 Å²	11	56.2 Å²	56.2	5%	0.051	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	148.6	176.1	-53.8	-106.6	0	0	0	111	I672 D673 R674 T676 G720 E721	I672-H716 CarbonylContact C-O 3.34Å; D673-H716 PolarHBondContact N-O 3.09Å; R674-H716 HydrophobicContact CG-CB 3.77Å; R674-H716 VanDerWaalsContact CZ-CB 3.48Å; R674-H716 PolarHBondContact NH2-ND1 2.94Å; R674-H716 PolarHBondContact O-N 2.99Å; T676-H716 WeakPolarHBondContact CB-NE2 3.45Å; T676-H716 PolarHBondContact OG1-NE2 3.44Å; H716-G720 WeakPolarHBondContact CA-O 3.5Å; H716-E721 IonicContact CE1-OE2 2.92Å; H716-E721 PolarHBondContact CE1-OE2 3.41Å; H716-E721 WeakPolarHBondContact ND1-CB 3.46Å; H716-E721 IonicContact ND1-OE2 2.7Å
717	N	90.9	Very high	94.5	Very high	15 Å²	15	55.3 Å²	55.3	8%	0.08	27%	0.27	C	S	.	.			trans	-138.5	-165.8	164.9	68	4.9	0	0	0	109.9	D641 P643 P671 D673 A719 G720	D641-N717 PolarHBondContact O-ND2 3.48Å; P643-N717 HydrophobicContact CG-CB 3.98Å; P671-N717 WeakPolarHBondContact O-CB 3.33Å; D673-N717 VanDerWaalsContact OD2-CA 3.26Å; D673-N717 WeakPolarHBondContact OD2-CA 3.38Å; N717-A719 VanDerWaalsContact C-N 3.3Å; N717-A719 PolarHBondContact O-N 2.92Å; N717-A719 WeakPolarHBondContact OD1-CA 3.38Å; N717-A719 WeakPolarHBondContact OD1-CB 3.46Å; N717-A719 PolarHBondContact OD1-N 2.98Å; N717-G720 PolarHBondContact N-O 3.1Å; N717-G720 PolarHBondContact OD1-N 2.96Å; N717-G720 PolarHBondContact OD1-O 3.13Å
718	Q	88.5	Confident	94.7	Very high	186 Å²	186	55.9 Å²	55.9	87%	0.869	27%	0.272	S	S	*	.	S	Bend	trans	-69.4	-25.3	176.8	-62.3	-173.6	13.9	0	0	113.6	D673	D673-Q718 PolarHBondContact OD2-N 3.29Å; D673-Q718 VanDerWaalsContact OD2-N 3.15Å
719	A	86.8	Confident	94.7	Very high	56 Å²	56	56.7 Å²	56.7	46%	0.463	28%	0.28	S	S	.	.	S	Bend	trans	-81.2	-31.5	179.4	0	0	0	0	0	113	N640 N717	N640-A719 WeakPolarHBondContact O-CB 3.3Å; N717-A719 VanDerWaalsContact C-N 3.3Å; N717-A719 PolarHBondContact O-N 2.92Å; N717-A719 WeakPolarHBondContact OD1-CA 3.38Å; N717-A719 WeakPolarHBondContact OD1-CB 3.46Å; N717-A719 PolarHBondContact OD1-N 2.98Å
720	G	90.7	Very high	94.6	Very high	27 Å²	27	57.3 Å²	57.3	28%	0.278	28%	0.283	S	S	.	.			trans	170.4	-152.4	176.4	0	0	0	0	0	115	H716 N717	H716-G720 WeakPolarHBondContact CA-O 3.5Å; N717-G720 PolarHBondContact N-O 3.1Å; N717-G720 PolarHBondContact OD1-N 2.96Å; N717-G720 PolarHBondContact OD1-O 3.13Å
721	E	94.3	Very high	94.5	Very high	102 Å²	102	58.9 Å²	58.9	48%	0.477	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-124.8	145.7	175.8	60	171.2	-143.9	0	0	111.2	K714 A715 H716	K714-E721 HydrophobicContact CD-CB 4.47Å; K714-E721 VanDerWaalsContact CE-OE2 3.32Å; K714-E721 WeakPolarHBondContact CE-OE2 3.49Å; K714-E721 IonicContact NZ-OE1 3.18Å; K714-E721 PolarHBondContact NZ-OE1 3.12Å; K714-E721 IonicContact NZ-OE2 3.59Å; K714-E721 PolarHBondContact NZ-OE2 3.42Å; A715-E721 CarbonylContact O-C 3.51Å; A715-E721 WeakPolarHBondContact O-CA 3.42Å; H716-E721 IonicContact CE1-OE2 2.92Å; H716-E721 PolarHBondContact CE1-OE2 3.41Å; H716-E721 WeakPolarHBondContact ND1-CB 3.46Å; H716-E721 IonicContact ND1-OE2 2.7Å
722	S	95	Very high	94.2	Very high	7 Å²	7	58.9 Å²	58.9	5%	0.049	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-70.6	163.5	175.6	77	0	0	0	0	110.8	P643 K714 A715	P643-S722 WeakPolarHBondContact O-CA 3.37Å; P643-S722 WeakPolarHBondContact O-CB 3.44Å; K714-S722 WeakPolarHBondContact CA-OG 3.27Å; K714-S722 WeakPolarHBondContact CB-OG 3.41Å; A715-S722 PolarHBondContact N-OG 2.99Å; A715-S722 PolarHBondContact O-N 3.47Å
723	Q	96.2	Very high	93.9	Very high	163 Å²	163	58.2 Å²	58.2	76%	0.762	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-60.3	160.1	156	-55.2	-173.8	16.3	0	0	109.4	P645	P645-Q723 WeakPolarHBondContact CB-O 3.33Å; P645-Q723 HydrophobicContact CG-CB 3.91Å
724	Y	97.4	Very high	93.3	Very high	66 Å²	66	61.5 Å²	61.5	26%	0.259	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-68.3	153.1	172.2	-67.9	-91.7	0	0	0	110.8	E678 R712 V713 K714	E678-Y724 HydrophobicContact CG-CE1 4.36Å; E678-Y724 PolarHBondContact OE1-OH 2.91Å; E678-Y724 WeakPolarHBondContact OE2-CE1 3.23Å; E678-Y724 PolarHBondContact OE2-OH 3.47Å; E678-Y724 VanDerWaalsContact OE2-OH 3.14Å; R712-Y724 HydrophobicContact CB-CD1 4.09Å; R712-Y724 HydrophobicContact CG-CD1 3.57Å; R712-Y724 HydrophobicContact CG-CE1 4.03Å; R712-Y724 HydrophobicContact CG-CG 4.2Å; V713-Y724 CarbonylContact O-C 3.5Å; V713-Y724 WeakPolarHBondContact O-CA 3.23Å; K714-Y724 HydrophobicContact CB-CD1 3.99Å; K714-Y724 HydrophobicContact CB-CE1 4.34Å; K714-Y724 HydrophobicContact CB-CG 4.29Å; K714-Y724 HydrophobicContact CD-CD1 4.22Å; K714-Y724 HydrophobicContact CD-CD2 4.36Å; K714-Y724 HydrophobicContact CD-CE1 3.84Å; K714-Y724 HydrophobicContact CD-CE2 3.96Å; K714-Y724 HydrophobicContact CD-CG 4.48Å; K714-Y724 VanDerWaalsContact CE-CZ 3.45Å; K714-Y724 VanDerWaalsContact CE-OH 3.24Å; K714-Y724 WeakPolarHBondContact CE-OH 3.35Å; K714-Y724 HydrophobicContact CG-CD1 4Å; K714-Y724 HydrophobicContact CG-CE1 3.82Å; K714-Y724 PolarHBondContact NZ-OH 2.96Å
725	S	97	Very high	92.9	Very high	12 Å²	12	64.7 Å²	64.7	8%	0.084	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-51.8	164.8	166.6	69.7	0	0	0	0	112	P646 F648 V713	P646-S725 WeakPolarHBondContact O-CB 3.17Å; F648-S725 VanDerWaalsContact CE2-OG 3.27Å; F648-S725 WeakPolarHBondContact CE2-OG 3.47Å; V713-S725 PolarHBondContact N-OG 3.01Å; V713-S725 WeakPolarHBondContact O-CB 3.27Å; V713-S725 PolarHBondContact O-N 3.47Å
726	E	94.9	Very high	92.6	Very high	165 Å²	165	64.9 Å²	64.9	77%	0.771	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-54.2	151.9	155.2	-89.3	-58.6	163.5	0	0	111.2
727	R	94.5	Very high	92.3	Very high	137 Å²	137	68.4 Å²	68.4	52%	0.517	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-91.4	129.4	-175.1	-58.3	-179.5	-165.4	174.7	7.7	110	A711 R712	A711-R727 WeakPolarHBondContact O-CA 3.08Å; R712-R727 HydrophobicContact CB-CG 4.49Å
728	I	95.1	Very high	92.5	Very high	21 Å²	21	68.1 Å²	68.1	11%	0.108	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	149.6	170.6	66	172.7	0	0	0	110.5	F648 I650 C653 L662 R710 A711 L730	F648-I728 HydrophobicContact CB-CD1 3.82Å; F648-I728 HydrophobicContact CB-CG2 4.28Å; F648-I728 HydrophobicContact CD1-CD1 3.79Å; F648-I728 HydrophobicContact CD1-CG1 4.48Å; F648-I728 HydrophobicContact CD2-CB 4.38Å; F648-I728 HydrophobicContact CD2-CD1 3.76Å; F648-I728 HydrophobicContact CD2-CG1 3.71Å; F648-I728 HydrophobicContact CD2-CG2 3.88Å; F648-I728 HydrophobicContact CE1-CD1 4.25Å; F648-I728 HydrophobicContact CE2-CD1 4.18Å; F648-I728 HydrophobicContact CE2-CG1 3.83Å; F648-I728 HydrophobicContact CG-CD1 3.53Å; F648-I728 HydrophobicContact CG-CG1 4.05Å; F648-I728 HydrophobicContact CG-CG2 4.37Å; F648-I728 HydrophobicContact CZ-CD1 4.42Å; F648-I728 HydrophobicContact CZ-CG1 4.3Å; I650-I728 HydrophobicContact CD1-CG2 3.95Å; I650-I728 HydrophobicContact CG1-CG2 4.11Å; C653-I728 HydrophobicContact CB-CD1 4.42Å; L662-I728 HydrophobicContact CD2-CD1 3.69Å; L662-I728 HydrophobicContact CD2-CG1 4.28Å; R710-I728 CarbonylContact C-O 3.6Å; R710-I728 WeakPolarHBondContact CA-O 3.38Å; A711-I728 HydrophobicContact CB-CG1 4.11Å; A711-I728 PolarHBondContact N-O 3.23Å; A711-I728 PolarHBondContact O-N 2.98Å; I728-L730 HydrophobicContact CD1-CD1 3.86Å; I728-L730 HydrophobicContact CG1-CD1 4.08Å
729	C	94.8	Very high	92.7	Very high	85 Å²	85	63.1 Å²	63.1	57%	0.574	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.8	179.2	-60.7	0	0	0	0	109.1	V708 Y709	V708-C729 HydrophobicContact CG1-CB 4.02Å; Y709-C729 WeakPolarHBondContact O-CA 3.4Å
730	L	93	Very high	93.1	Very high	21 Å²	21	60.5 Å²	60.5	11%	0.11	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	133.6	172	-71.6	113.8	0	0	0	110	C653 I660 L662 Y709 I728	C653-L730 HydrophobicContact CB-CD2 4.27Å; I660-L730 HydrophobicContact CD1-CB 3.73Å; I660-L730 HydrophobicContact CG1-CB 4.29Å; I660-L730 HydrophobicContact CG2-CB 4.38Å; I660-L730 HydrophobicContact CG2-CD1 4.11Å; I660-L730 HydrophobicContact CG2-CD2 4.31Å; L662-L730 HydrophobicContact CD2-CD1 3.56Å; L662-L730 HydrophobicContact CG-CD1 4.48Å; Y709-L730 PolarHBondContact N-O 3.46Å; Y709-L730 PolarHBondContact O-N 2.98Å; I728-L730 HydrophobicContact CD1-CD1 3.86Å; I728-L730 HydrophobicContact CG1-CD1 4.08Å
731	Q	93.2	Very high	93.2	Very high	102 Å²	102	60.9 Å²	60.9	48%	0.477	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	125.5	178	-177.9	165.4	-20.1	0	0	109.6	S655 S707 V708 D734	S655-Q731 WeakPolarHBondContact CB-O 3.44Å; S655-Q731 PolarHBondContact OG-O 3.18Å; S707-Q731 WeakPolarHBondContact O-CA 3.3Å; V708-Q731 HydrophobicContact CG2-CB 4.17Å; V708-Q731 HydrophobicContact CG2-CG 4.12Å; Q731-D734 PolarHBondContact NE2-OD1 2.85Å
732	T	91.7	Very high	93	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.006	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-68.7	154.4	165.8	57	0	0	0	0	109.9	R657 I660 L703 H704 F705 R706 S707 Y709 D734	R657-T732 CarbonylContact O-C 3.56Å; R657-T732 WeakPolarHBondContact O-CB 3.09Å; I660-T732 HydrophobicContact CD1-CG2 4.1Å; L703-T732 HydrophobicContact CB-CG2 4.04Å; L703-T732 HydrophobicContact CD1-CG2 4.33Å; H704-T732 WeakPolarHBondContact O-CG2 3.39Å; H704-T732 PolarHBondContact O-OG1 2.96Å; F705-T732 VanDerWaalsContact C-OG1 3.29Å; F705-T732 WeakPolarHBondContact CA-OG1 3.47Å; R706-T732 PolarHBondContact N-OG1 3.32Å; R706-T732 VanDerWaalsContact N-OG1 3.1Å; S707-T732 PolarHBondContact N-OG1 3.09Å; S707-T732 PolarHBondContact O-N 2.79Å; S707-T732 PolarHBondContact O-OG1 2.8Å; S707-T732 VanDerWaalsContact O-OG1 3.12Å; Y709-T732 HydrophobicContact CD2-CG2 3.97Å; Y709-T732 HydrophobicContact CE2-CG2 3.88Å; T732-D734 PolarHBondContact O-N 3.45Å
733	S	90.6	Very high	92.5	Very high	36 Å²	36	66.2 Å²	66.2	25%	0.252	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-49.1	138	177.3	-170.2	0	0	0	0	112.7	R657 R706 F735	R657-S733 WeakPolarHBondContact O-CB 3.44Å; R657-S733 PolarHBondContact O-N 2.89Å; R706-S733 PolarHBondContact N-O 3.24Å; S733-F735 PolarHBondContact O-N 3.2Å
734	D	86.7	Confident	91.7	Very high	69 Å²	69	58.7 Å²	58.7	37%	0.369	28%	0.281	S	S	.	.	S	Bend	trans	-69.4	-18.4	179.5	-57.7	-57.7	0	0	0	113.1	R706 Q731 T732	R706-D734 HydrophobicContact CG-CB 4.27Å; Q731-D734 PolarHBondContact NE2-OD1 2.85Å; T732-D734 PolarHBondContact O-N 3.45Å
735	F	87.7	Confident	90.8	Very high	77 Å²	77	56.6 Å²	56.6	34%	0.338	28%	0.276	S	S	.	.	S	Bend	trans	-108.7	149.6	-178.1	-48.5	-60.2	0	0	0	111.9	F705 S733 W737 G897 L898 E899	F705-F735 WeakPolarHBondContact CD1-O 3.41Å; S733-F735 PolarHBondContact O-N 3.2Å; F735-W737 VanDerWaalsContact O-CD1 3.29Å; F735-W737 PolarHBondContact O-N 2.92Å; F735-G897 WeakPolarHBondContact CB-O 3.27Å; F735-L898 WeakPolarHBondContact CD1-O 3.46Å; F735-E899 HydrophobicContact CD1-CB 4.23Å; F735-E899 HydrophobicContact CE1-CB 3.74Å; F735-E899 HydrophobicContact CE1-CG 4.17Å
736	T	90	Very high	90.1	Very high	4 Å²	4	56.9 Å²	56.9	3%	0.025	28%	0.277	C	S	.	.			trans	-89.7	106	-170.3	-55.5	0	0	0	0	110.6	F705 F738 L774 H779 G897	F705-T736 HydrophobicContact CD2-CG2 3.89Å; F705-T736 HydrophobicContact CE2-CG2 3.85Å; T736-F738 HydrophobicContact CG2-CD1 4.27Å; T736-L774 HydrophobicContact CG2-CD1 4.39Å; T736-L774 HydrophobicContact CG2-CD2 3.56Å; T736-H779 HydrophobicContact CG2-CB 4.22Å; T736-H779 PolarHBondContact OG1-ND1 3.46Å; T736-G897 PolarHBondContact O-N 3.27Å
737	W	90.2	Very high	89.5	Confident	84 Å²	84	54.6 Å²	54.6	32%	0.318	28%	0.276	S	S	.	.			trans	-100.2	124.6	-178.5	-70.2	94.1	0	0	0	112.2	R657 F705 F735 T772 S896	R657-W737 HydrophobicContact CB-CB 4.3Å; R657-W737 HydrophobicContact CG-CB 4.06Å; R657-W737 HydrophobicContact CG-CG 4.12Å; F705-W737 HydrophobicContact CE1-CB 4.24Å; F705-W737 HydrophobicContact CZ-CB 4.33Å; F705-W737 VanDerWaalsContact CZ-O 3.3Å; F705-W737 WeakPolarHBondContact CZ-O 3.41Å; F735-W737 VanDerWaalsContact O-CD1 3.29Å; F735-W737 PolarHBondContact O-N 2.92Å; W737-T772 PolarHBondContact O-OG1 3.41Å; W737-S896 WeakPolarHBondContact CZ3-O 3.25Å
738	F	93.4	Very high	89.2	Confident	10 Å²	10	51.2 Å²	51.2	4%	0.044	27%	0.266	C	S	.	.			trans	-153.2	164.1	172.5	65.9	-84.5	0	0	0	110.5	T736 S771 T772 W781 P882 L894 S896	T736-F738 HydrophobicContact CG2-CD1 4.27Å; F738-S771 WeakPolarHBondContact CA-OG 3.23Å; F738-S771 WeakPolarHBondContact CB-OG 3.25Å; F738-T772 WeakPolarHBondContact CB-OG1 3.15Å; F738-W781 HydrophobicContact CE1-CB 3.76Å; F738-W781 AromaticContact CE1-CD2 3.95Å; F738-W781 HydrophobicContact CE1-CD2 3.95Å; F738-W781 HydrophobicContact CE1-CE3 4.13Å; F738-W781 AromaticContact CE1-CG 3.81Å; F738-W781 HydrophobicContact CE1-CG 3.81Å; F738-W781 HydrophobicContact CZ-CB 3.78Å; F738-W781 AromaticContact CZ-CD1 3.79Å; F738-W781 AromaticContact CZ-CD2 3.8Å; F738-W781 HydrophobicContact CZ-CD2 3.8Å; F738-W781 HydrophobicContact CZ-CE3 4.4Å; F738-W781 AromaticContact CZ-CG 3.49Å; F738-W781 HydrophobicContact CZ-CG 3.49Å; F738-W781 VanDerWaalsContact CZ-CG 3.49Å; F738-P882 HydrophobicContact CD1-CG 4.12Å; F738-P882 HydrophobicContact CD2-CB 4.24Å; F738-P882 HydrophobicContact CD2-CG 4.16Å; F738-P882 HydrophobicContact CE1-CB 4.17Å; F738-P882 HydrophobicContact CE1-CG 3.7Å; F738-P882 HydrophobicContact CE2-CB 3.47Å; F738-P882 VanDerWaalsContact CE2-CB 3.47Å; F738-P882 HydrophobicContact CE2-CG 3.74Å; F738-P882 HydrophobicContact CG-CG 4.34Å; F738-P882 HydrophobicContact CZ-CB 3.43Å; F738-P882 VanDerWaalsContact CZ-CB 3.43Å; F738-P882 HydrophobicContact CZ-CG 3.48Å; F738-P882 VanDerWaalsContact CZ-CG 3.48Å; F738-L894 HydrophobicContact CD2-CD2 3.68Å; F738-L894 HydrophobicContact CE2-CD1 3.58Å; F738-L894 HydrophobicContact CE2-CD2 3.44Å; F738-L894 VanDerWaalsContact CE2-CD2 3.44Å; F738-L894 HydrophobicContact CE2-CG 4.15Å; F738-L894 HydrophobicContact CZ-CD1 3.57Å; F738-L894 HydrophobicContact CZ-CD2 4.21Å; F738-S896 PolarHBondContact N-OG 3.38Å; F738-S896 WeakPolarHBondContact O-CB 3.48Å; F738-S896 PolarHBondContact O-OG 3.36Å
739	H	92.9	Very high	89.2	Confident	81 Å²	81	50.3 Å²	50.3	38%	0.375	26%	0.262	S	S	.	.			trans	-122.3	173.4	168.6	59.8	-80.7	0	0	0	108.7	N755 G770 S771	H739-N755 HydrophobicContact CB-CB 4.15Å; H739-G770 CarbonylContact O-C 3.51Å; H739-G770 VanDerWaalsContact O-CA 3.28Å; H739-G770 WeakPolarHBondContact O-CA 3.47Å; H739-S771 VanDerWaalsContact CE1-CB 3.44Å; H739-S771 WeakPolarHBondContact CE1-CB 3.21Å; H739-S771 PolarHBondContact N-OG 2.87Å; H739-S771 VanDerWaalsContact N-OG 3.15Å; H739-S771 PolarHBondContact ND1-OG 3.32Å; H739-S771 PolarHBondContact O-N 3.45Å; H739-S771 PolarHBondContact O-OG 2.88Å
740	L	95.8	Very high	89.1	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	129.1	174.1	-61.9	175.9	0	0	0	109.6	L751 N755 V758 I768 F783 L894	L740-L751 HydrophobicContact CB-CD1 3.95Å; L740-L751 HydrophobicContact CB-CD2 3.79Å; L740-L751 HydrophobicContact CD1-CD2 3.84Å; L740-L751 HydrophobicContact CG-CD2 4.48Å; L740-L751 WeakPolarHBondContact O-CD1 2.92Å; L740-N755 PolarHBondContact N-O 3.37Å; L740-V758 HydrophobicContact CD1-CB 3.65Å; L740-V758 HydrophobicContact CD1-CG1 3.64Å; L740-I768 HydrophobicContact CB-CD1 3.92Å; L740-I768 HydrophobicContact CB-CG1 4.23Å; L740-I768 HydrophobicContact CD1-CG2 4.45Å; L740-I768 HydrophobicContact CD2-CG2 4.32Å; L740-F783 HydrophobicContact CD1-CE1 4.4Å; L740-F783 HydrophobicContact CD2-CE1 4.21Å; L740-F783 HydrophobicContact CD2-CZ 4.12Å; L740-L894 HydrophobicContact CD2-CD2 4.11Å; L740-L894 HydrophobicContact CG-CD2 4.04Å
741	D	92.3	Very high	89.1	Confident	34 Å²	34	50.1 Å²	50.1	18%	0.182	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	104.8	-178	-175.8	-0	0	0	0	110.9	H743 T744 L769	D741-H743 PolarHBondContact O-N 2.67Å; D741-H743 VanDerWaalsContact OD1-CB 3.3Å; D741-H743 WeakPolarHBondContact OD1-CB 3.43Å; D741-H743 IonicContact OD1-CD2 3.56Å; D741-H743 PolarHBondContact OD1-CD2 3.19Å; D741-H743 VanDerWaalsContact OD1-CD2 3.26Å; D741-H743 IonicContact OD1-CG 3.12Å; D741-H743 PolarHBondContact OD1-N 3.25Å; D741-T744 HydrophobicContact CB-CG2 3.91Å; D741-T744 PolarHBondContact O-N 3.23Å; D741-T744 PolarHBondContact O-OG1 2.96Å; D741-L769 PolarHBondContact N-O 3.46Å
742	I	89.7	Confident	89.1	Confident	59 Å²	59	48.9 Å²	48.9	30%	0.303	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-53.8	-33.4	176.5	-169.6	66.7	0	0	0	112.4	T744 S745 I749 L751	I742-T744 PolarHBondContact O-N 3.4Å; I742-S745 PolarHBondContact O-N 3.34Å; I742-S745 VanDerWaalsContact O-N 3.11Å; I742-S745 PolarHBondContact O-OG 3.02Å; I742-I749 HydrophobicContact CD1-CG2 4.31Å; I742-I749 WeakPolarHBondContact CD1-O 3.23Å; I742-L751 HydrophobicContact CB-CD1 3.91Å; I742-L751 HydrophobicContact CD1-CD1 4.41Å; I742-L751 HydrophobicContact CD1-CG 4.17Å
743	H	85.6	Confident	89	Confident	162 Å²	162	54 Å²	54	75%	0.75	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-71.2	-11.3	-178.6	-55.5	-65.5	0	0	0	113.2	D741	D741-H743 PolarHBondContact O-N 2.67Å; D741-H743 VanDerWaalsContact OD1-CB 3.3Å; D741-H743 WeakPolarHBondContact OD1-CB 3.43Å; D741-H743 IonicContact OD1-CD2 3.56Å; D741-H743 PolarHBondContact OD1-CD2 3.19Å; D741-H743 VanDerWaalsContact OD1-CD2 3.26Å; D741-H743 IonicContact OD1-CG 3.12Å; D741-H743 PolarHBondContact OD1-N 3.25Å
744	T	79.8	Confident	88.8	Confident	6 Å²	6	55.3 Å²	55.3	4%	0.037	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-90.8	-1.6	173.3	69.1	0	0	0	0	113.8	D741 I742 L769 Y801 K805	D741-T744 HydrophobicContact CB-CG2 3.91Å; D741-T744 PolarHBondContact O-N 3.23Å; D741-T744 PolarHBondContact O-OG1 2.96Å; I742-T744 PolarHBondContact O-N 3.4Å; T744-L769 HydrophobicContact CG2-CB 4.1Å; T744-L769 HydrophobicContact CG2-CD1 4.26Å; T744-L769 HydrophobicContact CG2-CG 4.46Å; T744-L769 WeakPolarHBondContact OG1-CB 3.38Å; T744-L769 PolarHBondContact OG1-N 3.23Å; T744-L769 VanDerWaalsContact OG1-N 3.09Å; T744-Y801 HydrophobicContact CG2-CE2 3.83Å; T744-K805 WeakPolarHBondContact O-CD 3.42Å; T744-K805 WeakPolarHBondContact O-CE 3.32Å; T744-K805 WeakPolarHBondContact O-CG 3.46Å
745	S	76.8	Confident	89.1	Confident	22 Å²	22	54.8 Å²	54.8	15%	0.154	30%	0.298	C	S	.	.	S	Bend	trans	-121.7	170	-170.2	70.8	0	0	0	0	113.4	I742	I742-S745 PolarHBondContact O-N 3.34Å; I742-S745 VanDerWaalsContact O-N 3.11Å; I742-S745 PolarHBondContact O-OG 3.02Å
746	V	82.2	Confident	89.3	Confident	17 Å²	17	55 Å²	55	10%	0.103	30%	0.297	C	S	.	.			trans	-77	155.6	174.1	-58.9	0	0	0	0	111.4	E748 I749 R766 E806	V746-E748 WeakPolarHBondContact CB-OE2 3.23Å; V746-E748 HydrophobicContact CG2-CB 4.48Å; V746-E748 WeakPolarHBondContact CG2-OE2 3.45Å; V746-E748 PolarHBondContact O-N 3.14Å; V746-I749 HydrophobicContact CG2-CG1 4.29Å; V746-I749 PolarHBondContact O-N 3.03Å; V746-R766 HydrophobicContact CG2-CB 4.01Å; V746-R766 HydrophobicContact CG2-CG 3.58Å; V746-E806 HydrophobicContact CG1-CG 4.07Å
747	P	82.8	Confident	89.6	Confident	117 Å²	117	55.2 Å²	55.2	76%	0.76	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-21.1	-175.5	-26.3	36.2	0	0	0	115.9	I749	P747-I749 VanDerWaalsContact C-N 3.33Å
748	E	89.8	Confident	89.9	Confident	66 Å²	66	51.2 Å²	51.2	31%	0.308	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-4.6	-179.1	-58.4	77.3	-165.8	0	0	114	V746 Q761 L762	V746-E748 WeakPolarHBondContact CB-OE2 3.23Å; V746-E748 HydrophobicContact CG2-CB 4.48Å; V746-E748 WeakPolarHBondContact CG2-OE2 3.45Å; V746-E748 PolarHBondContact O-N 3.14Å; E748-Q761 HydrophobicContact CB-CB 4.28Å; E748-Q761 PolarHBondContact O-N 3.21Å; E748-L762 HydrophobicContact CB-CD1 3.78Å; E748-L762 HydrophobicContact CB-CD2 4.46Å; E748-L762 HydrophobicContact CB-CG 3.7Å; E748-L762 HydrophobicContact CG-CD1 3.9Å; E748-L762 HydrophobicContact CG-CD2 4.12Å; E748-L762 HydrophobicContact CG-CG 3.87Å
749	I	93.1	Very high	89.9	Confident	2 Å²	2	52 Å²	52	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	125	167.1	-75.7	-73.8	0	0	0	108.9	I742 V746 P747 V758 R766 I768 L886	I742-I749 HydrophobicContact CD1-CG2 4.31Å; I742-I749 WeakPolarHBondContact CD1-O 3.23Å; V746-I749 HydrophobicContact CG2-CG1 4.29Å; V746-I749 PolarHBondContact O-N 3.03Å; P747-I749 VanDerWaalsContact C-N 3.33Å; I749-V758 HydrophobicContact CD1-CG2 4.21Å; I749-V758 HydrophobicContact CG2-CG2 3.77Å; I749-R766 HydrophobicContact CD1-CB 4.03Å; I749-R766 HydrophobicContact CG1-CB 4Å; I749-I768 HydrophobicContact CG2-CD1 3.77Å; I749-L886 HydrophobicContact CD1-CD2 4.22Å
750	L	92.9	Very high	89.9	Confident	72 Å²	72	48.3 Å²	48.3	38%	0.377	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	127	177	-61.7	-179.6	0	0	0	110.5	V758 T759 Q761	L750-V758 WeakPolarHBondContact O-CA 3.28Å; L750-T759 HydrophobicContact CB-CG2 3.96Å; L750-T759 HydrophobicContact CD1-CG2 4.34Å; L750-T759 PolarHBondContact N-O 2.94Å; L750-T759 PolarHBondContact O-N 2.73Å; L750-T759 VanDerWaalsContact O-N 3.1Å; L750-Q761 HydrophobicContact CD1-CG 3.92Å; L750-Q761 HydrophobicContact CG-CG 4.15Å
751	L	94	Very high	89.7	Confident	31 Å²	31	54.1 Å²	54.1	16%	0.162	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	139.4	169.7	-69.9	-171.9	0	0	0	111.9	L740 I742 N755 T757 V758 I768	L740-L751 HydrophobicContact CB-CD1 3.95Å; L740-L751 HydrophobicContact CB-CD2 3.79Å; L740-L751 HydrophobicContact CD1-CD2 3.84Å; L740-L751 HydrophobicContact CG-CD2 4.48Å; L740-L751 WeakPolarHBondContact O-CD1 2.92Å; I742-L751 HydrophobicContact CB-CD1 3.91Å; I742-L751 HydrophobicContact CD1-CD1 4.41Å; I742-L751 HydrophobicContact CD1-CG 4.17Å; L751-N755 HydrophobicContact CD1-CB 3.81Å; L751-T757 WeakPolarHBondContact CA-O 3.43Å; L751-V758 HydrophobicContact CD2-CB 3.7Å; L751-V758 HydrophobicContact CD2-CG2 3.86Å; L751-I768 HydrophobicContact CD1-CD1 4.03Å; L751-I768 HydrophobicContact CD2-CD1 3.94Å; L751-I768 HydrophobicContact CG-CD1 4.15Å
752	T	92.8	Very high	89.6	Confident	76 Å²	76	54.8 Å²	54.8	47%	0.466	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	-178.8	174.7	61.1	0	0	0	0	109.9	G754 N755 R756 T757	T752-G754 VanDerWaalsContact C-N 3.31Å; T752-G754 PolarHBondContact O-N 3.19Å; T752-N755 PolarHBondContact O-N 2.66Å; T752-R756 PolarHBondContact O-N 3.43Å; T752-T757 PolarHBondContact N-O 3.34Å; T752-T757 PolarHBondContact O-N 2.78Å; T752-T757 VanDerWaalsContact O-N 3.11Å; T752-T757 WeakPolarHBondContact OG1-CB 3.47Å; T752-T757 PolarHBondContact OG1-O 3.3Å
753	N	89	Confident	89.7	Confident	107 Å²	107	55.6 Å²	55.6	57%	0.572	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	41.6	177	-164.6	18.3	0	0	0	113.7	R756 T757	N753-R756 WeakPolarHBondContact O-CB 3.35Å; N753-T757 VanDerWaalsContact CB-OG1 3.23Å; N753-T757 WeakPolarHBondContact CB-OG1 3.37Å; N753-T757 PolarHBondContact ND2-OG1 3.27Å
754	G	86.2	Confident	90	Very high	64 Å²	64	53.4 Å²	53.4	66%	0.66	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	47.3	-177.6	0	0	0	0	0	113.4	T752 R756	T752-G754 VanDerWaalsContact C-N 3.31Å; T752-G754 PolarHBondContact O-N 3.19Å; G754-R756 VanDerWaalsContact C-N 3.29Å; G754-R756 PolarHBondContact O-N 2.89Å
755	N	92.9	Very high	90.7	Very high	58 Å²	58	54.4 Å²	54.4	31%	0.31	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	32.7	-178.7	-63.4	5.6	0	0	0	114.3	H739 L740 L751 T752	H739-N755 HydrophobicContact CB-CB 4.15Å; L740-N755 PolarHBondContact N-O 3.37Å; L751-N755 HydrophobicContact CD1-CB 3.81Å; T752-N755 PolarHBondContact O-N 2.66Å
756	R	93.4	Very high	91.5	Very high	82 Å²	82	54.5 Å²	54.5	31%	0.309	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-35	175.3	-66.4	177	174.5	-102.2	-0.9	113.4	T752 N753 G754 L894	T752-R756 PolarHBondContact O-N 3.43Å; N753-R756 WeakPolarHBondContact O-CB 3.35Å; G754-R756 VanDerWaalsContact C-N 3.29Å; G754-R756 PolarHBondContact O-N 2.89Å; R756-L894 WeakPolarHBondContact O-CB 3.23Å; R756-L894 PolarHBondContact O-N 3.08Å
757	T	95.3	Very high	92.2	Very high	8 Å²	8	53.8 Å²	53.8	5%	0.049	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	123.8	-175.5	-58	0	0	0	0	109.7	L751 T752 N753 D786 Q891 L892 T893	L751-T757 WeakPolarHBondContact CA-O 3.43Å; T752-T757 PolarHBondContact N-O 3.34Å; T752-T757 PolarHBondContact O-N 2.78Å; T752-T757 VanDerWaalsContact O-N 3.11Å; T752-T757 WeakPolarHBondContact OG1-CB 3.47Å; T752-T757 PolarHBondContact OG1-O 3.3Å; N753-T757 VanDerWaalsContact CB-OG1 3.23Å; N753-T757 WeakPolarHBondContact CB-OG1 3.37Å; N753-T757 PolarHBondContact ND2-OG1 3.27Å; T757-D786 WeakPolarHBondContact CG2-OD2 3.37Å; T757-Q891 HydrophobicContact CG2-CG 3.88Å; T757-L892 CarbonylContact C-O 3.6Å; T757-L892 VanDerWaalsContact CA-O 3.3Å; T757-L892 WeakPolarHBondContact CA-O 3.47Å; T757-T893 WeakPolarHBondContact CB-OG1 3.44Å; T757-T893 WeakPolarHBondContact CG2-OG1 3.43Å; T757-T893 PolarHBondContact OG1-OG1 3.22Å
758	V	96.5	Very high	92.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138.7	-176.1	63.2	0	0	0	0	112.5	L740 I749 L750 L751 I768 V884 L886 Q891 L892	L740-V758 HydrophobicContact CD1-CB 3.65Å; L740-V758 HydrophobicContact CD1-CG1 3.64Å; I749-V758 HydrophobicContact CD1-CG2 4.21Å; I749-V758 HydrophobicContact CG2-CG2 3.77Å; L750-V758 WeakPolarHBondContact O-CA 3.28Å; L751-V758 HydrophobicContact CD2-CB 3.7Å; L751-V758 HydrophobicContact CD2-CG2 3.86Å; V758-I768 HydrophobicContact CG2-CG2 4.19Å; V758-V884 HydrophobicContact CG1-CG2 4.49Å; V758-L886 HydrophobicContact CG1-CD1 4.04Å; V758-L886 HydrophobicContact CG1-CD2 4.05Å; V758-L886 HydrophobicContact CG2-CD1 4.27Å; V758-L886 HydrophobicContact CG2-CD2 4.07Å; V758-Q891 VanDerWaalsContact O-CA 3.31Å; V758-Q891 WeakPolarHBondContact O-CA 3.4Å; V758-Q891 WeakPolarHBondContact O-CG 3.33Å; V758-L892 HydrophobicContact CG1-CB 4.04Å; V758-L892 PolarHBondContact N-O 3.5Å; V758-L892 PolarHBondContact O-N 3.35Å
759	T	94.3	Very high	93.2	Very high	26 Å²	26	45 Å²	45	16%	0.16	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	146.4	167	-172	0	0	0	0	109	L750 R787 I890	L750-T759 HydrophobicContact CB-CG2 3.96Å; L750-T759 HydrophobicContact CD1-CG2 4.34Å; L750-T759 PolarHBondContact N-O 2.94Å; L750-T759 PolarHBondContact O-N 2.73Å; L750-T759 VanDerWaalsContact O-N 3.1Å; T759-R787 PolarHBondContact OG1-NH2 2.91Å; T759-R787 VanDerWaalsContact OG1-NH2 3.09Å; T759-I890 PolarHBondContact OG1-O 3.31Å
760	S	92.1	Very high	93.4	Very high	4 Å²	4	45 Å²	45	3%	0.028	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	152.9	169.9	-179.4	0	0	0	0	110.5	L762 R888	S760-L762 PolarHBondContact OG-N 2.77Å; S760-R888 VanDerWaalsContact O-CA 3.26Å; S760-R888 WeakPolarHBondContact O-CA 3.41Å; S760-R888 WeakPolarHBondContact O-CB 3.48Å
761	Q	91.7	Very high	93.4	Very high	123 Å²	123	43.4 Å²	43.4	58%	0.575	25%	0.245	S	C	*	.	S	Bend	trans	-88	-17.9	163.5	-64.1	-170.7	-22.2	0	0	112.7	E748 L750	E748-Q761 HydrophobicContact CB-CB 4.28Å; E748-Q761 PolarHBondContact O-N 3.21Å; L750-Q761 HydrophobicContact CD1-CG 3.92Å; L750-Q761 HydrophobicContact CG-CG 4.15Å
762	L	91.2	Very high	93.3	Very high	49 Å²	49	42.8 Å²	42.8	26%	0.257	24%	0.243	S	C	.	.	S	Bend	trans	-87.5	150	-174.2	-66.1	172.2	0	0	0	112.6	E748 S760 R766 R888	E748-L762 HydrophobicContact CB-CD1 3.78Å; E748-L762 HydrophobicContact CB-CD2 4.46Å; E748-L762 HydrophobicContact CB-CG 3.7Å; E748-L762 HydrophobicContact CG-CD1 3.9Å; E748-L762 HydrophobicContact CG-CD2 4.12Å; E748-L762 HydrophobicContact CG-CG 3.87Å; S760-L762 PolarHBondContact OG-N 2.77Å; L762-R766 HydrophobicContact CD1-CG 3.98Å; L762-R888 VanDerWaalsContact O-CB 3.31Å; L762-R888 WeakPolarHBondContact O-CB 3.27Å; L762-R888 PolarHBondContact O-N 3.03Å
763	S	91.1	Very high	93.3	Very high	76 Å²	76	40.5 Å²	40.5	53%	0.531	23%	0.234	S	C	.	.	S	Bend	trans	-74.3	-17.4	172.2	-55.7	0	0	0	0	113.2	T887 R888	S763-T887 WeakPolarHBondContact O-CG2 3.27Å; S763-R888 VanDerWaalsContact OG-CZ 3.25Å; S763-R888 PolarHBondContact OG-NE 3.24Å; S763-R888 PolarHBondContact OG-NH1 3.31Å
764	E	92.8	Very high	93.6	Very high	116 Å²	116	35.5 Å²	35.5	54%	0.542	21%	0.207	S	C	.	.	S	Bend	trans	-92.5	156.5	178.3	-63.3	168.2	-166.8	0	0	110.7	R766	E764-R766 IonicContact OE2-CZ 2.67Å; E764-R766 VanDerWaalsContact OE2-CZ 3.29Å; E764-R766 IonicContact OE2-NH1 3.1Å; E764-R766 PolarHBondContact OE2-NH1 3.13Å; E764-R766 IonicContact OE2-NH2 2.68Å; E764-R766 PolarHBondContact OE2-NH2 3.09Å
765	D	93.5	Very high	93.9	Very high	27 Å²	27	34.4 Å²	34.4	14%	0.144	19%	0.189	C	C	.	.			trans	-66.5	138.1	174.3	-89.3	-93	0	0	0	111.9	M808 S885 L886 T887	D765-M808 HydrophobicContact CB-CB 3.84Å; D765-S885 WeakPolarHBondContact OD1-CB 3.2Å; D765-S885 PolarHBondContact OD1-OG 3.47Å; D765-L886 PolarHBondContact OD1-N 3.32Å; D765-T887 VanDerWaalsContact OD2-CG2 3.28Å; D765-T887 WeakPolarHBondContact OD2-CG2 3.45Å
766	R	94.7	Very high	93.7	Very high	23 Å²	23	34.4 Å²	34.4	9%	0.087	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	136.4	169.6	-65.7	-62.3	-176.7	-90.7	2.1	110.2	V746 I749 L762 E764 K805 E806 S885 L886	V746-R766 HydrophobicContact CG2-CB 4.01Å; V746-R766 HydrophobicContact CG2-CG 3.58Å; I749-R766 HydrophobicContact CD1-CB 4.03Å; I749-R766 HydrophobicContact CG1-CB 4Å; L762-R766 HydrophobicContact CD1-CG 3.98Å; E764-R766 IonicContact OE2-CZ 2.67Å; E764-R766 VanDerWaalsContact OE2-CZ 3.29Å; E764-R766 IonicContact OE2-NH1 3.1Å; E764-R766 PolarHBondContact OE2-NH1 3.13Å; E764-R766 IonicContact OE2-NH2 2.68Å; E764-R766 PolarHBondContact OE2-NH2 3.09Å; R766-K805 WeakPolarHBondContact CA-O 3.38Å; R766-K805 WeakPolarHBondContact CD-O 3.45Å; R766-E806 PolarHBondContact NH1-O 3.25Å; R766-E806 VanDerWaalsContact NH1-O 3.1Å; R766-S885 VanDerWaalsContact O-CA 3.3Å; R766-S885 WeakPolarHBondContact O-CA 3.48Å; R766-L886 PolarHBondContact N-O 2.81Å; R766-L886 VanDerWaalsContact N-O 3.15Å; R766-L886 PolarHBondContact O-N 3.28Å
767	V	95.8	Very high	93.6	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	141	178	-170	0	0	0	0	110.2	L769 N804 K805 I807 L809 A883 V884	V767-L769 HydrophobicContact CG1-CD2 3.95Å; V767-N804 WeakPolarHBondContact CG2-O 3.39Å; V767-K805 HydrophobicContact CB-CB 4.31Å; V767-K805 HydrophobicContact CB-CG 4.33Å; V767-K805 PolarHBondContact N-O 2.69Å; V767-I807 VanDerWaalsContact CG2-O 3.22Å; V767-I807 WeakPolarHBondContact CG2-O 3.44Å; V767-L809 HydrophobicContact CG1-CD1 3.88Å; V767-L809 HydrophobicContact CG2-CB 4.49Å; V767-L809 HydrophobicContact CG2-CD1 4.4Å; V767-A883 HydrophobicContact CG1-CB 4.42Å; V767-V884 VanDerWaalsContact CA-O 3.31Å; V767-V884 WeakPolarHBondContact CA-O 3.33Å
768	I	97.1	Very high	93.4	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.9	158.7	-174.4	156.7	0	0	0	109.9	L740 I749 L751 V758 V884	L740-I768 HydrophobicContact CB-CD1 3.92Å; L740-I768 HydrophobicContact CB-CG1 4.23Å; L740-I768 HydrophobicContact CD1-CG2 4.45Å; L740-I768 HydrophobicContact CD2-CG2 4.32Å; I749-I768 HydrophobicContact CG2-CD1 3.77Å; L751-I768 HydrophobicContact CD1-CD1 4.03Å; L751-I768 HydrophobicContact CD2-CD1 3.94Å; L751-I768 HydrophobicContact CG-CD1 4.15Å; V758-I768 HydrophobicContact CG2-CG2 4.19Å; I768-V884 HydrophobicContact CG2-CG2 3.67Å; I768-V884 PolarHBondContact N-O 3.1Å; I768-V884 PolarHBondContact O-N 3.47Å
769	L	97.6	Very high	93.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	156.8	177.7	-52.1	-178.3	0	0	0	111.2	D741 T744 V767 A799 Y801 P882 A883	D741-L769 PolarHBondContact N-O 3.46Å; T744-L769 HydrophobicContact CG2-CB 4.1Å; T744-L769 HydrophobicContact CG2-CD1 4.26Å; T744-L769 HydrophobicContact CG2-CG 4.46Å; T744-L769 WeakPolarHBondContact OG1-CB 3.38Å; T744-L769 PolarHBondContact OG1-N 3.23Å; T744-L769 VanDerWaalsContact OG1-N 3.09Å; V767-L769 HydrophobicContact CG1-CD2 3.95Å; L769-A799 HydrophobicContact CD2-CB 3.89Å; L769-Y801 HydrophobicContact CD1-CD2 4.4Å; L769-P882 CarbonylContact C-O 3.57Å; L769-P882 WeakPolarHBondContact CA-O 3.37Å; L769-A883 HydrophobicContact CD2-CB 3.63Å
770	G	95.9	Very high	93.4	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	154.6	165.6	0	0	0	0	0	112	H739 T772 Y881 P882	H739-G770 CarbonylContact O-C 3.51Å; H739-G770 VanDerWaalsContact O-CA 3.28Å; H739-G770 WeakPolarHBondContact O-CA 3.47Å; G770-T772 PolarHBondContact O-N 3.22Å; G770-Y881 WeakPolarHBondContact O-CD1 3.28Å; G770-P882 PolarHBondContact N-O 2.95Å
771	S	92.7	Very high	93.7	Very high	38 Å²	38	32.3 Å²	32.3	27%	0.266	18%	0.184	S	C	.	.	S	Bend	trans	-65.5	-16.6	-178.9	63.8	0	0	0	0	115	F738 H739	F738-S771 WeakPolarHBondContact CA-OG 3.23Å; F738-S771 WeakPolarHBondContact CB-OG 3.25Å; H739-S771 VanDerWaalsContact CE1-CB 3.44Å; H739-S771 WeakPolarHBondContact CE1-CB 3.21Å; H739-S771 PolarHBondContact N-OG 2.87Å; H739-S771 VanDerWaalsContact N-OG 3.15Å; H739-S771 PolarHBondContact ND1-OG 3.32Å; H739-S771 PolarHBondContact O-N 3.45Å; H739-S771 PolarHBondContact O-OG 2.88Å
772	T	92.6	Very high	94	Very high	19 Å²	19	27.9 Å²	27.9	12%	0.117	16%	0.163	C	C	.	.	S	Bend	trans	-127.1	121.5	-165.2	-41.4	0	0	0	0	111	F705 W737 F738 G770	F705-T772 HydrophobicContact CE2-CG2 3.72Å; F705-T772 HydrophobicContact CZ-CG2 4.14Å; W737-T772 PolarHBondContact O-OG1 3.41Å; F738-T772 WeakPolarHBondContact CB-OG1 3.15Å; G770-T772 PolarHBondContact O-N 3.22Å
773	G	93	Very high	94.4	Very high	27 Å²	27	25.6 Å²	25.6	28%	0.278	15%	0.151	S	C	.	.			trans	-81.1	132.5	178.5	0	0	0	0	0	112.5
774	L	94.6	Very high	94.7	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.016	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-106	138.3	-176.5	-49.6	179.1	0	0	0	109.8	T736 H779 W781 F851 I879 Y880 P882	T736-L774 HydrophobicContact CG2-CD1 4.39Å; T736-L774 HydrophobicContact CG2-CD2 3.56Å; L774-H779 HydrophobicContact CD1-CB 3.9Å; L774-W781 HydrophobicContact CD1-CE3 4.41Å; L774-W781 HydrophobicContact CD1-CH2 4.04Å; L774-W781 HydrophobicContact CD1-CZ3 3.56Å; L774-F851 HydrophobicContact CB-CD1 4.29Å; L774-F851 HydrophobicContact CB-CE1 4.23Å; L774-F851 HydrophobicContact CD1-CD1 4.26Å; L774-I879 WeakPolarHBondContact O-CA 3.21Å; L774-Y880 WeakPolarHBondContact CA-O 3.44Å; L774-Y880 WeakPolarHBondContact CB-O 3.17Å; L774-Y880 PolarHBondContact N-O 3.03Å; L774-Y880 PolarHBondContact O-N 2.97Å; L774-P882 HydrophobicContact CD1-CG 3.9Å
775	S	92.7	Very high	94.9	Very high	41 Å²	41	18 Å²	18	29%	0.287	11%	0.109	S	C	.	.			trans	-159.1	-3.6	-173.5	46.5	0	0	0	0	115.3	H704 C853 G878	H704-S775 PolarHBondContact CE1-OG 3.38Å; H704-S775 VanDerWaalsContact CE1-OG 3.31Å; S775-C853 VanDerWaalsContact C-CB 3.5Å; S775-G878 VanDerWaalsContact CB-O 3.26Å; S775-G878 WeakPolarHBondContact CB-O 3.38Å
776	R	90.1	Very high	95	Very high	57 Å²	57	19.4 Å²	19.4	22%	0.215	12%	0.117	C	C	.	.	S	Bend	trans	-159.3	134.7	177.1	-174.2	176.7	73.7	-157.6	6.5	109.8	D681 H704 S707 H779	D681-R776 VanDerWaalsContact O-CZ 3.32Å; D681-R776 PolarHBondContact O-NH1 2.89Å; D681-R776 PolarHBondContact O-NH2 3.02Å; H704-R776 VanDerWaalsContact CD2-CZ 3.4Å; H704-R776 PolarHBondContact CD2-NH1 3.06Å; H704-R776 PolarHBondContact CD2-NH2 3.07Å; S707-R776 PolarHBondContact OG-NH2 3.18Å; R776-H779 PolarHBondContact O-CE1 3.03Å; R776-H779 PolarHBondContact O-NE2 3.45Å; R776-H779 VanDerWaalsContact O-NE2 3.16Å
777	G	89.9	Confident	95	Very high	21 Å²	21	21.5 Å²	21.5	22%	0.216	13%	0.125	C	C	.	.	S	Bend	trans	96.9	-178.9	-178.4	0	0	0	0	0	113.8	C853 N854	G777-C853 WeakPolarHBondContact O-CB 3.39Å; G777-C853 PolarHBondContact O-N 3.2Å; G777-N854 PolarHBondContact N-OD1 3.35Å
778	V	92.5	Very high	94.9	Very high	40 Å²	40	23 Å²	23	24%	0.242	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.1	176.6	-171.1	0	0	0	0	108.5	R850 F851 D852 A900	V778-R850 HydrophobicContact CG1-CG 4.33Å; V778-F851 WeakPolarHBondContact CA-O 3.39Å; V778-D852 HydrophobicContact CG1-CB 4.44Å; V778-D852 HydrophobicContact CG2-CB 4.11Å; V778-A900 HydrophobicContact CG1-CB 3.92Å
779	H	94.8	Very high	94.7	Very high	6 Å²	6	26.3 Å²	26.3	3%	0.028	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	149.3	-174.9	-51.4	-75.4	0	0	0	110.1	T736 L774 R776 W781 R850 F851 C853	T736-H779 HydrophobicContact CG2-CB 4.22Å; T736-H779 PolarHBondContact OG1-ND1 3.46Å; L774-H779 HydrophobicContact CD1-CB 3.9Å; R776-H779 PolarHBondContact O-CE1 3.03Å; R776-H779 PolarHBondContact O-NE2 3.45Å; R776-H779 VanDerWaalsContact O-NE2 3.16Å; H779-W781 HydrophobicContact CB-CE3 4.39Å; H779-W781 HydrophobicContact CB-CZ3 3.99Å; H779-R850 WeakPolarHBondContact O-CA 3.06Å; H779-F851 PolarHBondContact N-O 2.8Å; H779-F851 PolarHBondContact O-N 2.85Å; H779-C853 PolarHBondContact CD2-SG 2.96Å; H779-C853 PolarHBondContact NE2-SG 3.28Å; H779-C853 VanDerWaalsContact NE2-SG 3.39Å
780	Y	96.1	Very high	94.2	Very high	10 Å²	10	33 Å²	33	4%	0.039	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	143.6	176	-178.1	-110	0	0	0	110.7	E782 I849 R850 Y861 L898 E899 A900 P901	Y780-E782 HydrophobicContact CE1-CG 3.99Å; Y780-E782 WeakPolarHBondContact CE1-OE1 3.23Å; Y780-E782 VanDerWaalsContact CZ-OE1 3.26Å; Y780-E782 WeakPolarHBondContact OH-CG 3.16Å; Y780-E782 PolarHBondContact OH-OE1 3.27Å; Y780-I849 WeakPolarHBondContact CA-O 3.2Å; Y780-I849 VanDerWaalsContact CD2-O 3.27Å; Y780-I849 WeakPolarHBondContact CD2-O 3.28Å; Y780-R850 HydrophobicContact CD2-CB 3.85Å; Y780-R850 HydrophobicContact CE2-CB 4.49Å; Y780-Y861 AromaticContact CE2-CD2 3.9Å; Y780-Y861 HydrophobicContact CE2-CD2 3.9Å; Y780-Y861 HydrophobicContact CE2-CE2 4.4Å; Y780-Y861 HydrophobicContact CE2-CG 4.45Å; Y780-L898 HydrophobicContact CD1-CB 3.72Å; Y780-L898 HydrophobicContact CD1-CD1 4.16Å; Y780-L898 HydrophobicContact CE1-CB 4.23Å; Y780-L898 HydrophobicContact CE1-CD1 3.93Å; Y780-E899 WeakPolarHBondContact CD1-O 3.29Å; Y780-A900 VanDerWaalsContact CB-CA 3.48Å; Y780-P901 HydrophobicContact CD2-CG 4.48Å; Y780-P901 HydrophobicContact CE1-CG 4.45Å; Y780-P901 HydrophobicContact CE2-CG 4.18Å
781	W	97.7	Very high	93.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	161.8	175.9	62.9	88.7	0	0	0	109.6	F738 L774 H779 F783 I798 I849 F851 P882 L894 H895	F738-W781 HydrophobicContact CE1-CB 3.76Å; F738-W781 AromaticContact CE1-CD2 3.95Å; F738-W781 HydrophobicContact CE1-CD2 3.95Å; F738-W781 HydrophobicContact CE1-CE3 4.13Å; F738-W781 AromaticContact CE1-CG 3.81Å; F738-W781 HydrophobicContact CE1-CG 3.81Å; F738-W781 HydrophobicContact CZ-CB 3.78Å; F738-W781 AromaticContact CZ-CD1 3.79Å; F738-W781 AromaticContact CZ-CD2 3.8Å; F738-W781 HydrophobicContact CZ-CD2 3.8Å; F738-W781 HydrophobicContact CZ-CE3 4.4Å; F738-W781 AromaticContact CZ-CG 3.49Å; F738-W781 HydrophobicContact CZ-CG 3.49Å; F738-W781 VanDerWaalsContact CZ-CG 3.49Å; L774-W781 HydrophobicContact CD1-CE3 4.41Å; L774-W781 HydrophobicContact CD1-CH2 4.04Å; L774-W781 HydrophobicContact CD1-CZ3 3.56Å; H779-W781 HydrophobicContact CB-CE3 4.39Å; H779-W781 HydrophobicContact CB-CZ3 3.99Å; W781-F783 AromaticContact CD1-CE2 3.67Å; W781-F783 AromaticContact NE1-CE2 3.77Å; W781-I798 HydrophobicContact CH2-CG2 3.72Å; W781-I798 HydrophobicContact CZ2-CG2 3.96Å; W781-I849 HydrophobicContact CD2-CB 4.39Å; W781-I849 HydrophobicContact CH2-CG2 4.09Å; W781-I849 HydrophobicContact CZ2-CB 3.92Å; W781-I849 HydrophobicContact CZ2-CG2 3.52Å; W781-I849 PolarHBondContact N-O 3.03Å; W781-I849 PolarHBondContact O-N 3.28Å; W781-F851 HydrophobicContact CH2-CB 3.97Å; W781-F851 HydrophobicContact CZ3-CB 4.13Å; W781-P882 HydrophobicContact CD2-CB 4.25Å; W781-P882 HydrophobicContact CD2-CG 4.29Å; W781-P882 HydrophobicContact CE3-CG 4.27Å; W781-P882 HydrophobicContact CH2-CB 4.18Å; W781-P882 HydrophobicContact CH2-CG 3.97Å; W781-P882 HydrophobicContact CZ2-CB 3.65Å; W781-P882 HydrophobicContact CZ2-CG 3.96Å; W781-P882 HydrophobicContact CZ3-CG 4.12Å; W781-L894 HydrophobicContact CB-CD1 4.4Å; W781-H895 WeakPolarHBondContact CA-O 3.49Å
782	E	98.2	Very high	93.5	Very high	30 Å²	30	34.7 Å²	34.7	14%	0.14	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	157.9	-178.1	-77.1	161.3	-165.5	0	0	112	Y780 V846 V847 H895 L898	Y780-E782 HydrophobicContact CE1-CG 3.99Å; Y780-E782 WeakPolarHBondContact CE1-OE1 3.23Å; Y780-E782 VanDerWaalsContact CZ-OE1 3.26Å; Y780-E782 WeakPolarHBondContact OH-CG 3.16Å; Y780-E782 PolarHBondContact OH-OE1 3.27Å; E782-V846 HydrophobicContact CB-CG1 3.87Å; E782-V846 HydrophobicContact CG-CG1 3.88Å; E782-V847 CarbonylContact C-O 3.6Å; E782-V847 VanDerWaalsContact CA-O 3.3Å; E782-V847 WeakPolarHBondContact CA-O 3.35Å; E782-H895 HydrophobicContact CB-CB 4.23Å; E782-H895 PolarHBondContact N-O 3.14Å; E782-H895 PolarHBondContact O-N 3.11Å; E782-L898 HydrophobicContact CB-CD1 3.95Å; E782-L898 VanDerWaalsContact CD-CD1 3.4Å; E782-L898 HydrophobicContact CG-CD1 3.77Å; E782-L898 WeakPolarHBondContact OE2-CD1 3.48Å
783	F	98.4	Very high	93.6	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.4	164.3	-73.3	-91.8	0	0	0	110.2	L740 W781 F796 V846 V847 I849 V884 L892 T893 L894	L740-F783 HydrophobicContact CD1-CE1 4.4Å; L740-F783 HydrophobicContact CD2-CE1 4.21Å; L740-F783 HydrophobicContact CD2-CZ 4.12Å; W781-F783 AromaticContact CD1-CE2 3.67Å; W781-F783 AromaticContact NE1-CE2 3.77Å; F783-F796 HydrophobicContact CB-CD1 4.07Å; F783-F796 HydrophobicContact CB-CE1 3.68Å; F783-F796 AromaticContact CD2-CD1 3.93Å; F783-F796 HydrophobicContact CD2-CD1 3.93Å; F783-F796 HydrophobicContact CD2-CE1 4.37Å; F783-F796 HydrophobicContact CG-CD1 4.14Å; F783-F796 HydrophobicContact CG-CE1 4.11Å; F783-V846 WeakPolarHBondContact O-CA 3.29Å; F783-V847 PolarHBondContact N-O 2.94Å; F783-V847 PolarHBondContact O-N 2.94Å; F783-I849 HydrophobicContact CD2-CD1 3.91Å; F783-I849 HydrophobicContact CE2-CD1 4.4Å; F783-V884 HydrophobicContact CD1-CG1 4.29Å; F783-V884 HydrophobicContact CD2-CG1 3.9Å; F783-V884 HydrophobicContact CE1-CG1 3.88Å; F783-V884 HydrophobicContact CE1-CG2 4.3Å; F783-V884 HydrophobicContact CE2-CG1 3.45Å; F783-V884 VanDerWaalsContact CE2-CG1 3.45Å; F783-V884 HydrophobicContact CG-CG1 4.29Å; F783-V884 HydrophobicContact CZ-CG1 3.44Å; F783-V884 VanDerWaalsContact CZ-CG1 3.44Å; F783-V884 HydrophobicContact CZ-CG2 4.31Å; F783-L892 HydrophobicContact CD1-CB 3.91Å; F783-L892 HydrophobicContact CD1-CD1 4.46Å; F783-T893 CarbonylContact C-O 3.53Å; F783-T893 VanDerWaalsContact CA-O 3.32Å; F783-T893 WeakPolarHBondContact CA-O 3.35Å; F783-L894 HydrophobicContact CD1-CB 4.08Å; F783-L894 HydrophobicContact CE1-CB 3.7Å; F783-L894 HydrophobicContact CE1-CD1 4.05Å; F783-L894 HydrophobicContact CE1-CG 4.39Å; F783-L894 HydrophobicContact CE2-CD1 4.01Å; F783-L894 HydrophobicContact CZ-CB 4.26Å; F783-L894 HydrophobicContact CZ-CD1 3.74Å; F783-L894 HydrophobicContact CZ-CG 4.47Å
784	T	98	Very high	93.8	Very high	31 Å²	31	36.3 Å²	36.3	19%	0.19	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	136.2	162.6	-58.9	0	0	0	0	109.3	D786 L892 T893 H895	T784-D786 PolarHBondContact O-N 2.87Å; T784-L892 CarbonylContact O-C 3.42Å; T784-L892 VanDerWaalsContact O-CA 3.31Å; T784-L892 WeakPolarHBondContact O-CA 3.35Å; T784-T893 PolarHBondContact N-O 3.15Å; T784-T893 PolarHBondContact O-N 3.25Å; T784-H895 PolarHBondContact OG1-NE2 3.01Å
785	V	97.5	Very high	94	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	95.1	172.6	-178.2	0	0	0	0	108.4	C788 F796 I841 A843 G844 S845 L892	V785-C788 HydrophobicContact CG1-CB 3.78Å; V785-F796 HydrophobicContact CG2-CZ 4.46Å; V785-I841 HydrophobicContact CG1-CD1 4.32Å; V785-I841 HydrophobicContact CG2-CB 4.32Å; V785-I841 HydrophobicContact CG2-CD1 4.05Å; V785-I841 HydrophobicContact CG2-CG2 4.43Å; V785-A843 CarbonylContact O-C 3.6Å; V785-A843 WeakPolarHBondContact O-CA 3.48Å; V785-G844 PolarHBondContact O-N 2.79Å; V785-S845 PolarHBondContact N-O 3Å; V785-L892 HydrophobicContact CB-CD2 4.39Å; V785-L892 HydrophobicContact CG1-CD2 4.49Å; V785-L892 HydrophobicContact CG2-CD2 3.96Å
786	D	95.8	Very high	94.3	Very high	57 Å²	57	34.2 Å²	34.2	31%	0.305	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	-38.8	-178	-56.2	-26	0	0	0	111.8	T757 T784 Q891 T893	T757-D786 WeakPolarHBondContact CG2-OD2 3.37Å; T784-D786 PolarHBondContact O-N 2.87Å; D786-Q891 HydrophobicContact CB-CB 4.21Å; D786-Q891 HydrophobicContact CB-CG 4.04Å; D786-Q891 PolarHBondContact N-O 2.87Å; D786-Q891 PolarHBondContact OD2-NE2 2.79Å; D786-T893 VanDerWaalsContact CG-OG1 3.31Å; D786-T893 WeakPolarHBondContact OD1-CB 3.49Å; D786-T893 PolarHBondContact OD1-OG1 2.94Å; D786-T893 PolarHBondContact OD2-OG1 3.29Å
787	R	94.9	Very high	94.6	Very high	67 Å²	67	31.5 Å²	31.5	25%	0.253	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	136.9	178.2	-174.4	177.9	71.6	-97.2	-3	109.5	T759 D789 R888 I890 Q891	T759-R787 PolarHBondContact OG1-NH2 2.91Å; T759-R787 VanDerWaalsContact OG1-NH2 3.09Å; R787-D789 WeakPolarHBondContact CD-OD1 3.13Å; R787-D789 VanDerWaalsContact CD-OD2 3.25Å; R787-D789 WeakPolarHBondContact CD-OD2 3.24Å; R787-D789 WeakPolarHBondContact CG-OD1 3.44Å; R787-D789 IonicContact NE-OD2 3.54Å; R787-D789 PolarHBondContact NE-OD2 3.16Å; R787-R888 PolarHBondContact NH2-O 3.14Å; R787-I890 PolarHBondContact NH2-O 2.98Å; R787-I890 WeakPolarHBondContact O-CA 3.43Å; R787-Q891 HydrophobicContact CB-CB 4.04Å; R787-Q891 PolarHBondContact N-O 3.4Å; R787-Q891 PolarHBondContact O-N 2.83Å; R787-Q891 VanDerWaalsContact O-N 3.08Å
788	C	93.2	Very high	95	Very high	35 Å²	35	30.5 Å²	30.5	24%	0.236	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	89.3	171.2	-173.6	0	0	0	0	110.2	V785 I890	V785-C788 HydrophobicContact CG1-CB 3.78Å; C788-I890 HydrophobicContact CB-CD1 4.1Å
789	D	92.6	Very high	95.3	Very high	68 Å²	68	28.6 Å²	28.6	36%	0.364	17%	0.172	S	C	.	.			trans	-74.5	152.4	176.6	-54	-49.9	0	0	0	110.6	R787 G791 G792 A889	R787-D789 WeakPolarHBondContact CD-OD1 3.13Å; R787-D789 VanDerWaalsContact CD-OD2 3.25Å; R787-D789 WeakPolarHBondContact CD-OD2 3.24Å; R787-D789 WeakPolarHBondContact CG-OD1 3.44Å; R787-D789 IonicContact NE-OD2 3.54Å; R787-D789 PolarHBondContact NE-OD2 3.16Å; D789-G791 PolarHBondContact O-N 3.18Å; D789-G792 PolarHBondContact O-N 3.46Å; D789-A889 HydrophobicContact CB-CB 3.97Å; D789-A889 WeakPolarHBondContact CB-O 3.36Å; D789-A889 PolarHBondContact N-O 3.04Å; D789-A889 WeakPolarHBondContact OD2-CA 3.34Å
790	P	87.2	Confident	95.4	Very high	140 Å²	140	31.1 Å²	31.1	91%	0.909	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	124.1	-177	-27.2	35.6	0	0	0	113.5
791	G	84.3	Confident	95.4	Very high	70 Å²	70	36.6 Å²	36.6	72%	0.722	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.6	-3.8	-177.9	0	0	0	0	0	115	D789	D789-G791 PolarHBondContact O-N 3.18Å
792	G	90	Very high	95.2	Very high	5 Å²	5	41.1 Å²	41.1	5%	0.052	23%	0.229	C	C	.	.			trans	-67.3	132.1	165.4	0	0	0	0	0	111.5	D789	D789-G792 PolarHBondContact O-N 3.46Å
793	Q	94.6	Very high	95.1	Very high	80 Å²	80	40 Å²	40	37%	0.374	22%	0.224	S	C	.	.			trans	-136.7	68.1	-179.7	-65.8	-172.8	-53.5	0	0	110.9	F820 D821	Q793-F820 VanDerWaalsContact CA-O 3.26Å; Q793-F820 WeakPolarHBondContact CA-O 3.46Å; Q793-F820 WeakPolarHBondContact CB-O 3.39Å; Q793-D821 HydrophobicContact CG-CB 4.46Å
794	P	97.2	Very high	95	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.242	C	C	.	.			trans	-70.6	150.4	-174.6	31.7	-33.2	0	0	0	111.2	F796 Y819 F820 I841 S885 I890	P794-F796 HydrophobicContact CB-CE2 4.1Å; P794-F796 HydrophobicContact CB-CZ 4.2Å; P794-F796 HydrophobicContact CG-CE2 3.88Å; P794-F796 HydrophobicContact CG-CZ 4.03Å; P794-Y819 WeakPolarHBondContact O-CA 3.13Å; P794-F820 PolarHBondContact O-N 3.32Å; P794-I841 HydrophobicContact CG-CD1 3.34Å; P794-S885 VanDerWaalsContact CA-O 3.31Å; P794-S885 WeakPolarHBondContact CA-O 3.41Å; P794-S885 WeakPolarHBondContact CB-O 3.36Å; P794-I890 HydrophobicContact CB-CG1 4.13Å; P794-I890 HydrophobicContact CB-CG2 4.01Å; P794-I890 HydrophobicContact CG-CD1 3.87Å; P794-I890 HydrophobicContact CG-CG1 3.97Å; P794-I890 HydrophobicContact CG-CG2 4.08Å
795	A	98.1	Very high	94.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	142.7	177.4	0	0	0	0	0	110.6	M808 L809 I818 V884 S885	A795-M808 HydrophobicContact CB-CE 4.2Å; A795-M808 HydrophobicContact CB-CG 4.26Å; A795-L809 HydrophobicContact CB-CB 3.88Å; A795-I818 CarbonylContact C-O 3.59Å; A795-I818 WeakPolarHBondContact CA-O 3.5Å; A795-V884 CarbonylContact O-C 3.44Å; A795-V884 WeakPolarHBondContact O-CA 3.34Å; A795-S885 PolarHBondContact N-O 3.03Å; A795-S885 VanDerWaalsContact N-O 3.12Å; A795-S885 PolarHBondContact O-N 3.42Å
796	F	98.5	Very high	94.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.2	-174.8	-52.5	-101	0	0	0	109.5	F783 V785 P794 S817 I818 F820 V847 I849 Y860 V884 L892	F783-F796 HydrophobicContact CB-CD1 4.07Å; F783-F796 HydrophobicContact CB-CE1 3.68Å; F783-F796 AromaticContact CD2-CD1 3.93Å; F783-F796 HydrophobicContact CD2-CD1 3.93Å; F783-F796 HydrophobicContact CD2-CE1 4.37Å; F783-F796 HydrophobicContact CG-CD1 4.14Å; F783-F796 HydrophobicContact CG-CE1 4.11Å; V785-F796 HydrophobicContact CG2-CZ 4.46Å; P794-F796 HydrophobicContact CB-CE2 4.1Å; P794-F796 HydrophobicContact CB-CZ 4.2Å; P794-F796 HydrophobicContact CG-CE2 3.88Å; P794-F796 HydrophobicContact CG-CZ 4.03Å; F796-S817 CarbonylContact O-C 3.59Å; F796-S817 WeakPolarHBondContact O-CA 3.31Å; F796-S817 WeakPolarHBondContact O-CB 3.39Å; F796-I818 HydrophobicContact CB-CG2 4.32Å; F796-I818 PolarHBondContact N-O 3.09Å; F796-I818 PolarHBondContact O-N 3Å; F796-F820 AromaticContact CD2-CD2 3.85Å; F796-F820 HydrophobicContact CD2-CD2 3.85Å; F796-F820 AromaticContact CD2-CE2 3.86Å; F796-F820 HydrophobicContact CD2-CE2 3.86Å; F796-F820 AromaticContact CE2-CD2 3.75Å; F796-F820 HydrophobicContact CE2-CD2 3.75Å; F796-F820 HydrophobicContact CE2-CE2 4.04Å; F796-V847 HydrophobicContact CB-CG1 4.25Å; F796-V847 HydrophobicContact CD1-CB 4.28Å; F796-V847 HydrophobicContact CD1-CG1 4.19Å; F796-V847 HydrophobicContact CD2-CG1 4.03Å; F796-V847 HydrophobicContact CD2-CG2 4.43Å; F796-V847 HydrophobicContact CE1-CB 4.2Å; F796-V847 HydrophobicContact CE1-CG2 4.37Å; F796-V847 HydrophobicContact CE2-CB 4.43Å; F796-V847 HydrophobicContact CE2-CG1 4.4Å; F796-V847 HydrophobicContact CE2-CG2 3.99Å; F796-V847 HydrophobicContact CG-CB 4.44Å; F796-V847 HydrophobicContact CG-CG1 3.92Å; F796-V847 HydrophobicContact CZ-CB 4.28Å; F796-V847 HydrophobicContact CZ-CG2 3.96Å; F796-I849 HydrophobicContact CB-CD1 4.11Å; F796-I849 HydrophobicContact CB-CG1 4.17Å; F796-I849 HydrophobicContact CD1-CD1 4.48Å; F796-Y860 PolarHBondContact O-OH 2.93Å; F796-V884 HydrophobicContact CB-CG1 4.48Å; F796-V884 HydrophobicContact CD1-CG1 3.65Å; F796-V884 HydrophobicContact CE1-CG1 4.31Å; F796-V884 HydrophobicContact CG-CG1 4.33Å; F796-L892 HydrophobicContact CD1-CD1 4.44Å; F796-L892 HydrophobicContact CE1-CD1 3.64Å; F796-L892 HydrophobicContact CE1-CD2 3.89Å; F796-L892 HydrophobicContact CE1-CG 4.37Å; F796-L892 HydrophobicContact CZ-CD1 4.08Å; F796-L892 HydrophobicContact CZ-CD2 3.81Å
797	G	98.2	Very high	94.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.1	-132.6	176.3	0	0	0	0	0	112.8	W816 Y860 A883	G797-W816 WeakPolarHBondContact CA-O 3.49Å; G797-Y860 WeakPolarHBondContact CA-OH 3.48Å; G797-A883 PolarHBondContact N-O 2.82Å; G797-A883 PolarHBondContact O-N 3.04Å
798	I	98.3	Very high	94.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	154	-177.7	61	179.5	0	0	0	112.2	W781 S815 W816 F851 L858 L875 Y880 Y881	W781-I798 HydrophobicContact CH2-CG2 3.72Å; W781-I798 HydrophobicContact CZ2-CG2 3.96Å; I798-S815 WeakPolarHBondContact O-CA 3.44Å; I798-W816 HydrophobicContact CG1-CB 4.14Å; I798-W816 PolarHBondContact N-O 3.36Å; I798-W816 PolarHBondContact O-N 2.82Å; I798-F851 HydrophobicContact CD1-CD1 4.47Å; I798-F851 HydrophobicContact CD1-CD2 3.75Å; I798-F851 HydrophobicContact CD1-CE1 4.25Å; I798-F851 HydrophobicContact CD1-CE2 3.52Å; I798-F851 HydrophobicContact CD1-CG 4.25Å; I798-F851 HydrophobicContact CD1-CZ 3.79Å; I798-F851 HydrophobicContact CG2-CD1 4.32Å; I798-F851 HydrophobicContact CG2-CG 4.32Å; I798-L858 HydrophobicContact CD1-CD1 4.31Å; I798-L858 HydrophobicContact CD1-CD2 4.09Å; I798-L858 HydrophobicContact CG1-CD2 3.91Å; I798-L858 HydrophobicContact CG2-CD1 4.19Å; I798-L875 HydrophobicContact CD1-CD1 3.88Å; I798-Y880 HydrophobicContact CB-CD1 4.48Å; I798-Y880 HydrophobicContact CD1-CD1 3.72Å; I798-Y880 HydrophobicContact CD1-CE1 4.33Å; I798-Y880 HydrophobicContact CD1-CG 4.19Å; I798-Y880 HydrophobicContact CG1-CD1 4.13Å; I798-Y881 CarbonylContact C-O 3.52Å; I798-Y881 VanDerWaalsContact CA-O 3.28Å; I798-Y881 WeakPolarHBondContact CA-O 3.38Å
799	A	97.7	Very high	94.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	159.5	173.7	0	0	0	0	0	113.1	L769 C803 L809 K814 Y881 A883	L769-A799 HydrophobicContact CD2-CB 3.89Å; A799-C803 HydrophobicContact CB-CB 3.96Å; A799-L809 HydrophobicContact CB-CD1 4.06Å; A799-K814 CarbonylContact C-O 3.43Å; A799-K814 VanDerWaalsContact CA-O 3.28Å; A799-K814 WeakPolarHBondContact CA-O 3.17Å; A799-Y881 PolarHBondContact N-O 2.92Å; A799-Y881 PolarHBondContact O-N 3.23Å; A799-A883 HydrophobicContact CB-CB 3.96Å
800	K	97.1	Very high	95.1	Very high	59 Å²	59	42.7 Å²	42.7	26%	0.257	23%	0.233	S	C	.	.			trans	-77.5	150.2	163.2	-64.1	-177.1	177.3	-178.1	0	109.5	D802 C803 K814 W816 Y880	K800-D802 WeakPolarHBondContact CB-OD1 3.44Å; K800-D802 PolarHBondContact O-N 3.33Å; K800-C803 VanDerWaalsContact O-CB 3.32Å; K800-C803 WeakPolarHBondContact O-CB 3.49Å; K800-C803 PolarHBondContact O-N 3.47Å; K800-K814 HydrophobicContact CB-CB 4.4Å; K800-K814 PolarHBondContact N-O 3Å; K800-W816 HydrophobicContact CG-CZ3 4.38Å; K800-Y880 VanDerWaalsContact CE-OH 3.31Å; K800-Y880 WeakPolarHBondContact CE-OH 3.45Å; K800-Y880 HydrophobicContact CG-CD1 4.48Å; K800-Y880 HydrophobicContact CG-CE1 4.26Å
801	Y	95.6	Very high	95.6	Very high	125 Å²	125	39.5 Å²	39.5	49%	0.49	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-32.4	-175.9	-170.9	-93.9	0	0	0	113.5	T744 L769 K805 Y881	T744-Y801 HydrophobicContact CG2-CE2 3.83Å; L769-Y801 HydrophobicContact CD1-CD2 4.4Å; Y801-K805 PolarHBondContact O-NZ 2.97Å; Y801-Y881 HydrophobicContact CD2-CE1 4.39Å; Y801-Y881 HydrophobicContact CD2-CE2 4.12Å; Y801-Y881 AromaticContact CD2-CZ 3.98Å; Y801-Y881 HydrophobicContact CG-CE2 4.43Å
802	D	94.7	Very high	96.1	Very high	95 Å²	95	37.2 Å²	37.2	51%	0.508	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	19.6	-178.6	70.1	-43.2	0	0	0	114.3	K800 K814	K800-D802 WeakPolarHBondContact CB-OD1 3.44Å; K800-D802 PolarHBondContact O-N 3.33Å; D802-K814 WeakPolarHBondContact O-CD 3.49Å; D802-K814 PolarHBondContact O-NZ 3.04Å; D802-K814 WeakPolarHBondContact OD2-CE 3.33Å; D802-K814 IonicContact OD2-NZ 2.65Å; D802-K814 PolarHBondContact OD2-NZ 3.01Å
803	C	95.6	Very high	96.4	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.041	21%	0.208	C	C	.	.	S	Bend	trans	-60.8	155.1	168	75.1	0	0	0	0	112.4	A799 K800 K805 D812 K814	A799-C803 HydrophobicContact CB-CB 3.96Å; K800-C803 VanDerWaalsContact O-CB 3.32Å; K800-C803 WeakPolarHBondContact O-CB 3.49Å; K800-C803 PolarHBondContact O-N 3.47Å; C803-K805 PolarHBondContact O-NZ 3.44Å; C803-K805 PolarHBondContact SG-NZ 2.83Å; C803-K805 VanDerWaalsContact SG-NZ 3.43Å; C803-D812 WeakPolarHBondContact CA-OD2 3.47Å; C803-K814 HydrophobicContact CB-CB 3.98Å
804	N	95.4	Very high	96.5	Very high	71 Å²	71	43 Å²	43	38%	0.38	21%	0.206	S	C	.	.			trans	-68.9	129.7	169.5	-171	-6.5	0	0	0	109.8	V767 E806 I807 D812	V767-N804 WeakPolarHBondContact CG2-O 3.39Å; N804-E806 PolarHBondContact OD1-N 3.44Å; N804-I807 HydrophobicContact CB-CD1 3.92Å; N804-I807 HydrophobicContact CB-CG1 3.95Å; N804-D812 PolarHBondContact N-OD2 3.02Å
805	K	94.8	Very high	96.5	Very high	43 Å²	43	43.2 Å²	43.2	19%	0.187	21%	0.207	C	C	.	.	S	Bend	trans	-100.6	-8.7	-179	-64.7	128.4	178.4	58.6	0	113.8	T744 R766 V767 Y801 C803	T744-K805 WeakPolarHBondContact O-CD 3.42Å; T744-K805 WeakPolarHBondContact O-CE 3.32Å; T744-K805 WeakPolarHBondContact O-CG 3.46Å; R766-K805 WeakPolarHBondContact CA-O 3.38Å; R766-K805 WeakPolarHBondContact CD-O 3.45Å; V767-K805 HydrophobicContact CB-CB 4.31Å; V767-K805 HydrophobicContact CB-CG 4.33Å; V767-K805 PolarHBondContact N-O 2.69Å; Y801-K805 PolarHBondContact O-NZ 2.97Å; C803-K805 PolarHBondContact O-NZ 3.44Å; C803-K805 PolarHBondContact SG-NZ 2.83Å; C803-K805 VanDerWaalsContact SG-NZ 3.43Å
806	E	94.1	Very high	96.5	Very high	121 Å²	121	44 Å²	44	57%	0.565	21%	0.21	S	C	*	.	S	Bend	trans	-95.8	5.6	-176.5	-62.5	-173.6	-176	0	0	113.5	V746 R766 N804	V746-E806 HydrophobicContact CG1-CG 4.07Å; R766-E806 PolarHBondContact NH1-O 3.25Å; R766-E806 VanDerWaalsContact NH1-O 3.1Å; N804-E806 PolarHBondContact OD1-N 3.44Å
807	I	94.7	Very high	96.5	Very high	52 Å²	52	44 Å²	44	27%	0.267	21%	0.21	S	C	.	.	S	Bend	trans	-131.7	165.9	178	66.7	-179.9	0	0	0	110.6	V767 N804 L811 D812	V767-I807 VanDerWaalsContact CG2-O 3.22Å; V767-I807 WeakPolarHBondContact CG2-O 3.44Å; N804-I807 HydrophobicContact CB-CD1 3.92Å; N804-I807 HydrophobicContact CB-CG1 3.95Å; I807-L811 HydrophobicContact CB-CD1 4.32Å; I807-L811 HydrophobicContact CD1-CB 3.67Å; I807-L811 HydrophobicContact CG1-CB 4.14Å; I807-D812 HydrophobicContact CD1-CB 4.44Å
808	M	96	Very high	96.5	Very high	29 Å²	29	44 Å²	44	14%	0.143	21%	0.21	C	C	.	.			trans	-59.8	140.2	175.9	-176.5	-174.3	-175.2	0	0	112.2	D765 A795 G810 L811 Y819 L828 S885	D765-M808 HydrophobicContact CB-CB 3.84Å; A795-M808 HydrophobicContact CB-CE 4.2Å; A795-M808 HydrophobicContact CB-CG 4.26Å; M808-G810 PolarHBondContact O-N 3.11Å; M808-L811 HydrophobicContact CB-CD1 3.71Å; M808-L811 HydrophobicContact CB-CG 3.98Å; M808-L811 WeakPolarHBondContact O-CB 3.35Å; M808-L811 WeakPolarHBondContact O-CG 3.31Å; M808-L811 PolarHBondContact O-N 3.22Å; M808-L811 VanDerWaalsContact O-N 3.13Å; M808-Y819 HydrophobicContact CE-CD1 3.84Å; M808-Y819 HydrophobicContact CE-CD2 3.54Å; M808-Y819 HydrophobicContact CE-CE2 4.29Å; M808-Y819 HydrophobicContact CE-CG 3.27Å; M808-L828 HydrophobicContact CE-CD2 4.19Å; M808-L828 HydrophobicContact SD-CD2 4.2Å; M808-S885 WeakPolarHBondContact CA-OG 3.37Å
809	L	97.7	Very high	96.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	128.1	-177.6	-174.5	76.6	0	0	0	110.3	V767 A795 A799 S815 S817 A883 S885	V767-L809 HydrophobicContact CG1-CD1 3.88Å; V767-L809 HydrophobicContact CG2-CB 4.49Å; V767-L809 HydrophobicContact CG2-CD1 4.4Å; A795-L809 HydrophobicContact CB-CB 3.88Å; A799-L809 HydrophobicContact CB-CD1 4.06Å; L809-S815 VanDerWaalsContact CD1-CB 3.47Å; L809-S817 PolarHBondContact O-OG 3.33Å; L809-A883 HydrophobicContact CD1-CB 3.61Å; L809-A883 HydrophobicContact CD2-CB 3.8Å; L809-A883 WeakPolarHBondContact CD2-O 3.27Å; L809-A883 HydrophobicContact CG-CB 4.39Å; L809-S885 PolarHBondContact N-OG 3.4Å
810	G	97	Very high	96.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.8	-7.4	-174.2	0	0	0	0	0	114.2	M808 D812 S815 H829 N830 G831	M808-G810 PolarHBondContact O-N 3.11Å; G810-D812 PolarHBondContact O-N 2.98Å; G810-S815 WeakPolarHBondContact CA-OG 3.38Å; G810-S815 PolarHBondContact N-OG 3.4Å; G810-H829 CarbonylContact O-C 3.13Å; G810-H829 WeakPolarHBondContact O-CA 3.35Å; G810-H829 PolarHBondContact O-N 3.46Å; G810-N830 PolarHBondContact O-N 3.33Å; G810-G831 PolarHBondContact O-N 3.1Å
811	L	97.4	Very high	96.2	Very high	73 Å²	73	42.9 Å²	42.9	38%	0.382	21%	0.205	S	C	.	.	S	Bend	trans	-79.1	1.7	173.9	-65.1	-173.4	0	0	0	114.3	I807 M808 L828	I807-L811 HydrophobicContact CB-CD1 4.32Å; I807-L811 HydrophobicContact CD1-CB 3.67Å; I807-L811 HydrophobicContact CG1-CB 4.14Å; M808-L811 HydrophobicContact CB-CD1 3.71Å; M808-L811 HydrophobicContact CB-CG 3.98Å; M808-L811 WeakPolarHBondContact O-CB 3.35Å; M808-L811 WeakPolarHBondContact O-CG 3.31Å; M808-L811 PolarHBondContact O-N 3.22Å; M808-L811 VanDerWaalsContact O-N 3.13Å; L811-L828 HydrophobicContact CD2-CD1 4.16Å; L811-L828 HydrophobicContact CD2-CD2 4.04Å; L811-L828 HydrophobicContact CD2-CG 4.49Å; L811-L828 HydrophobicContact CG-CD2 4.47Å
812	D	95.8	Very high	96.1	Very high	23 Å²	23	44.7 Å²	44.7	12%	0.123	21%	0.212	C	C	.	.	S	Bend	trans	-126.7	166.8	172.8	78.7	2.4	0	0	0	113.1	C803 N804 I807 G810 K814 S815 N830	C803-D812 WeakPolarHBondContact CA-OD2 3.47Å; N804-D812 PolarHBondContact N-OD2 3.02Å; I807-D812 HydrophobicContact CD1-CB 4.44Å; G810-D812 PolarHBondContact O-N 2.98Å; D812-K814 PolarHBondContact O-N 2.87Å; D812-K814 VanDerWaalsContact O-N 3.09Å; D812-K814 VanDerWaalsContact OD1-C 3.3Å; D812-K814 WeakPolarHBondContact OD1-CA 3.25Å; D812-K814 WeakPolarHBondContact OD1-CB 3.05Å; D812-K814 PolarHBondContact OD1-N 3.21Å; D812-S815 WeakPolarHBondContact OD1-CB 3.38Å; D812-S815 PolarHBondContact OD1-N 3.2Å; D812-S815 PolarHBondContact OD1-OG 2.77Å; D812-N830 PolarHBondContact O-N 2.94Å; D812-N830 VanDerWaalsContact O-N 3.17Å
813	M	96.4	Very high	96	Very high	134 Å²	134	45.8 Å²	45.8	66%	0.66	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	7.8	175.2	-62.3	-160.9	-46	0	0	114.1	W816 N830	M813-W816 WeakPolarHBondContact O-CH2 3.4Å; M813-N830 HydrophobicContact CG-CB 4.04Å; M813-N830 WeakPolarHBondContact CG-OD1 3.39Å
814	K	96.9	Very high	96	Very high	73 Å²	73	49.6 Å²	49.6	32%	0.317	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	2.3	-173.3	-55.4	-177	-171.6	-177.1	0	112.7	A799 K800 D802 C803 D812 W816	A799-K814 CarbonylContact C-O 3.43Å; A799-K814 VanDerWaalsContact CA-O 3.28Å; A799-K814 WeakPolarHBondContact CA-O 3.17Å; K800-K814 HydrophobicContact CB-CB 4.4Å; K800-K814 PolarHBondContact N-O 3Å; D802-K814 WeakPolarHBondContact O-CD 3.49Å; D802-K814 PolarHBondContact O-NZ 3.04Å; D802-K814 WeakPolarHBondContact OD2-CE 3.33Å; D802-K814 IonicContact OD2-NZ 2.65Å; D802-K814 PolarHBondContact OD2-NZ 3.01Å; C803-K814 HydrophobicContact CB-CB 3.98Å; D812-K814 PolarHBondContact O-N 2.87Å; D812-K814 VanDerWaalsContact O-N 3.09Å; D812-K814 VanDerWaalsContact OD1-C 3.3Å; D812-K814 WeakPolarHBondContact OD1-CA 3.25Å; D812-K814 WeakPolarHBondContact OD1-CB 3.05Å; D812-K814 PolarHBondContact OD1-N 3.21Å; K814-W816 VanDerWaalsContact O-CZ3 3.25Å; K814-W816 WeakPolarHBondContact O-CZ3 3.4Å
815	S	97.2	Very high	96.1	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	144.4	179.5	50.4	0	0	0	0	111.3	I798 L809 G810 D812 H829	I798-S815 WeakPolarHBondContact O-CA 3.44Å; L809-S815 VanDerWaalsContact CD1-CB 3.47Å; G810-S815 WeakPolarHBondContact CA-OG 3.38Å; G810-S815 PolarHBondContact N-OG 3.4Å; D812-S815 WeakPolarHBondContact OD1-CB 3.38Å; D812-S815 PolarHBondContact OD1-N 3.2Å; D812-S815 PolarHBondContact OD1-OG 2.77Å; S815-H829 PolarHBondContact O-ND1 3.23Å
816	W	97.9	Very high	96.2	Very high	17 Å²	17	46 Å²	46	6%	0.064	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	120.2	-178.5	-65.8	-95	0	0	0	107.4	G797 I798 K800 M813 K814 H829 L858 F872 L875 Y880	G797-W816 WeakPolarHBondContact CA-O 3.49Å; I798-W816 HydrophobicContact CG1-CB 4.14Å; I798-W816 PolarHBondContact N-O 3.36Å; I798-W816 PolarHBondContact O-N 2.82Å; K800-W816 HydrophobicContact CG-CZ3 4.38Å; M813-W816 WeakPolarHBondContact O-CH2 3.4Å; K814-W816 VanDerWaalsContact O-CZ3 3.25Å; K814-W816 WeakPolarHBondContact O-CZ3 3.4Å; W816-H829 AromaticContact CD1-CE1 3.83Å; W816-H829 AromaticContact CD1-CG 3.55Å; W816-H829 AromaticContact CD1-ND1 3.44Å; W816-H829 AromaticContact CD2-CE1 3.99Å; W816-H829 AromaticContact CD2-ND1 3.9Å; W816-H829 AromaticContact CE2-CE1 3.22Å; W816-H829 AromaticContact CE2-ND1 3.54Å; W816-H829 AromaticContact CE2-NE2 3.8Å; W816-H829 AromaticContact CG-ND1 3.86Å; W816-H829 AromaticContact CZ2-CE1 3.39Å; W816-H829 WeakPolarHBondContact CZ2-CE1 3.39Å; W816-H829 AromaticContact CZ2-NE2 3.94Å; W816-H829 AromaticContact NE1-CD2 3.59Å; W816-H829 AromaticContact NE1-CE1 3.13Å; W816-H829 PolarHBondContact NE1-CE1 3.05Å; W816-H829 AromaticContact NE1-CG 3.52Å; W816-H829 AromaticContact NE1-ND1 3.24Å; W816-H829 PolarHBondContact NE1-ND1 3.38Å; W816-H829 AromaticContact NE1-NE2 3.34Å; W816-H829 PolarHBondContact NE1-NE2 3.4Å; W816-L858 HydrophobicContact CB-CD2 4.2Å; W816-F872 HydrophobicContact CB-CD2 4.09Å; W816-F872 HydrophobicContact CB-CE1 4.5Å; W816-F872 HydrophobicContact CB-CE2 3.95Å; W816-F872 HydrophobicContact CB-CG 4.42Å; W816-F872 HydrophobicContact CB-CZ 4.16Å; W816-F872 AromaticContact CD1-CD1 3.59Å; W816-F872 AromaticContact CD1-CE1 3.69Å; W816-F872 AromaticContact CD1-CG 3.99Å; W816-F872 HydrophobicContact CG-CD1 4.49Å; W816-L875 HydrophobicContact CD2-CD2 3.73Å; W816-L875 HydrophobicContact CG-CD2 3.74Å; W816-L875 HydrophobicContact CZ2-CD2 4.23Å; W816-Y880 HydrophobicContact CE3-CD1 4.3Å; W816-Y880 AromaticContact CE3-CE1 3.77Å; W816-Y880 HydrophobicContact CE3-CE1 3.77Å; W816-Y880 HydrophobicContact CH2-CE1 4.02Å; W816-Y880 HydrophobicContact CZ3-CD1 4.2Å; W816-Y880 AromaticContact CZ3-CE1 3.45Å; W816-Y880 HydrophobicContact CZ3-CE1 3.45Å; W816-Y880 VanDerWaalsContact CZ3-CE1 3.45Å
817	S	98.3	Very high	96.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	164.9	-170.3	63.5	0	0	0	0	113.5	F796 L809 F827 L828 Y860	F796-S817 CarbonylContact O-C 3.59Å; F796-S817 WeakPolarHBondContact O-CA 3.31Å; F796-S817 WeakPolarHBondContact O-CB 3.39Å; L809-S817 PolarHBondContact O-OG 3.33Å; S817-F827 WeakPolarHBondContact O-CA 3.17Å; S817-L828 PolarHBondContact N-O 3.28Å; S817-L828 PolarHBondContact O-N 3.11Å; S817-L828 PolarHBondContact OG-O 3.15Å; S817-Y860 VanDerWaalsContact C-OH 3.28Å; S817-Y860 WeakPolarHBondContact CA-OH 3.48Å
818	I	98.1	Very high	96.5	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	148.3	149.2	-165.9	174.6	0	0	0	107.7	A795 F796 F820 W826 F827 Y860	A795-I818 CarbonylContact C-O 3.59Å; A795-I818 WeakPolarHBondContact CA-O 3.5Å; F796-I818 HydrophobicContact CB-CG2 4.32Å; F796-I818 PolarHBondContact N-O 3.09Å; F796-I818 PolarHBondContact O-N 3Å; I818-F820 HydrophobicContact CD1-CE1 4.25Å; I818-F820 HydrophobicContact CD1-CE2 4.14Å; I818-F820 HydrophobicContact CD1-CZ 3.78Å; I818-F820 HydrophobicContact CG1-CE2 4.31Å; I818-F820 HydrophobicContact CG1-CZ 4.43Å; I818-F820 HydrophobicContact CG2-CD2 4.36Å; I818-F820 HydrophobicContact CG2-CE2 3.62Å; I818-F820 HydrophobicContact CG2-CZ 4.2Å; I818-W826 CarbonylContact C-O 3.56Å; I818-W826 WeakPolarHBondContact CA-O 3.24Å; I818-W826 WeakPolarHBondContact CG1-O 3.49Å; I818-F827 HydrophobicContact CB-CD1 4.06Å; I818-F827 HydrophobicContact CB-CE1 4.49Å; I818-F827 HydrophobicContact CD1-CD1 4.09Å; I818-F827 HydrophobicContact CD1-CE1 3.81Å; I818-F827 HydrophobicContact CG1-CD1 3.85Å; I818-F827 HydrophobicContact CG1-CE1 4.11Å; I818-Y860 HydrophobicContact CB-CD1 4.22Å; I818-Y860 HydrophobicContact CB-CD2 3.85Å; I818-Y860 HydrophobicContact CB-CE1 4.09Å; I818-Y860 HydrophobicContact CB-CE2 3.71Å; I818-Y860 HydrophobicContact CB-CG 4.1Å; I818-Y860 HydrophobicContact CD1-CD2 4.23Å; I818-Y860 HydrophobicContact CD1-CG 4.25Å; I818-Y860 HydrophobicContact CG2-CD1 3.47Å; I818-Y860 VanDerWaalsContact CG2-CD1 3.47Å; I818-Y860 HydrophobicContact CG2-CD2 4.04Å; I818-Y860 HydrophobicContact CG2-CE1 3.47Å; I818-Y860 VanDerWaalsContact CG2-CE1 3.47Å; I818-Y860 HydrophobicContact CG2-CE2 4.03Å; I818-Y860 HydrophobicContact CG2-CG 3.77Å; I818-Y860 PolarHBondContact N-OH 3.08Å
819	Y	97.4	Very high	96.6	Very high	27 Å²	27	38.9 Å²	38.9	11%	0.106	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	154.3	163.4	79.3	-89.4	0	0	0	111.3	P794 M808 S825 W826 L828 H833	P794-Y819 WeakPolarHBondContact O-CA 3.13Å; M808-Y819 HydrophobicContact CE-CD1 3.84Å; M808-Y819 HydrophobicContact CE-CD2 3.54Å; M808-Y819 HydrophobicContact CE-CE2 4.29Å; M808-Y819 HydrophobicContact CE-CG 3.27Å; Y819-S825 CarbonylContact O-C 3.48Å; Y819-S825 WeakPolarHBondContact O-CA 3.36Å; Y819-S825 WeakPolarHBondContact O-CB 3.35Å; Y819-W826 HydrophobicContact CD1-CB 4.24Å; Y819-W826 HydrophobicContact CD2-CE3 4.13Å; Y819-W826 HydrophobicContact CE1-CB 3.68Å; Y819-W826 HydrophobicContact CE1-CD2 4.39Å; Y819-W826 HydrophobicContact CE1-CE3 4.18Å; Y819-W826 HydrophobicContact CE1-CG 4.25Å; Y819-W826 HydrophobicContact CE2-CD2 4.28Å; Y819-W826 AromaticContact CE2-CE3 3.41Å; Y819-W826 HydrophobicContact CE2-CE3 3.41Å; Y819-W826 VanDerWaalsContact CE2-CE3 3.41Å; Y819-W826 AromaticContact CE2-CZ3 3.76Å; Y819-W826 HydrophobicContact CE2-CZ3 3.76Å; Y819-W826 AromaticContact CZ-CD2 3.85Å; Y819-W826 AromaticContact CZ-CE3 3.44Å; Y819-W826 VanDerWaalsContact CZ-CE3 3.44Å; Y819-W826 PolarHBondContact N-O 3.42Å; Y819-W826 PolarHBondContact O-N 2.99Å; Y819-L828 HydrophobicContact CD1-CB 3.95Å; Y819-L828 HydrophobicContact CD1-CD2 3.77Å; Y819-L828 HydrophobicContact CD1-CG 4.42Å; Y819-L828 HydrophobicContact CE1-CB 4.33Å; Y819-L828 HydrophobicContact CE1-CD2 4.13Å; Y819-H833 HydrophobicContact CE1-CB 4.22Å
820	F	96.8	Very high	96.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	146.2	-176.3	-65.4	-95.3	0	0	0	111.8	Q793 P794 F796 I818 R824 I841 V847 L862 H867	Q793-F820 VanDerWaalsContact CA-O 3.26Å; Q793-F820 WeakPolarHBondContact CA-O 3.46Å; Q793-F820 WeakPolarHBondContact CB-O 3.39Å; P794-F820 PolarHBondContact O-N 3.32Å; F796-F820 AromaticContact CD2-CD2 3.85Å; F796-F820 HydrophobicContact CD2-CD2 3.85Å; F796-F820 AromaticContact CD2-CE2 3.86Å; F796-F820 HydrophobicContact CD2-CE2 3.86Å; F796-F820 AromaticContact CE2-CD2 3.75Å; F796-F820 HydrophobicContact CE2-CD2 3.75Å; F796-F820 HydrophobicContact CE2-CE2 4.04Å; I818-F820 HydrophobicContact CD1-CE1 4.25Å; I818-F820 HydrophobicContact CD1-CE2 4.14Å; I818-F820 HydrophobicContact CD1-CZ 3.78Å; I818-F820 HydrophobicContact CG1-CE2 4.31Å; I818-F820 HydrophobicContact CG1-CZ 4.43Å; I818-F820 HydrophobicContact CG2-CD2 4.36Å; I818-F820 HydrophobicContact CG2-CE2 3.62Å; I818-F820 HydrophobicContact CG2-CZ 4.2Å; F820-R824 CarbonylContact C-O 3.56Å; F820-R824 WeakPolarHBondContact CA-O 3.33Å; F820-I841 HydrophobicContact CB-CB 4.41Å; F820-I841 HydrophobicContact CB-CD1 4.13Å; F820-I841 HydrophobicContact CB-CG1 3.82Å; F820-I841 HydrophobicContact CB-CG2 3.97Å; F820-I841 HydrophobicContact CD1-CG2 3.78Å; F820-I841 HydrophobicContact CD2-CG2 4.05Å; F820-I841 HydrophobicContact CE1-CG2 4.21Å; F820-I841 HydrophobicContact CE2-CG2 4.44Å; F820-I841 HydrophobicContact CG-CG1 4.49Å; F820-I841 HydrophobicContact CG-CG2 3.68Å; F820-V847 HydrophobicContact CD2-CG2 4.49Å; F820-V847 HydrophobicContact CE2-CG1 3.8Å; F820-V847 HydrophobicContact CE2-CG2 3.86Å; F820-V847 HydrophobicContact CZ-CG1 4.12Å; F820-V847 HydrophobicContact CZ-CG2 4.12Å; F820-L862 HydrophobicContact CE1-CD1 4.44Å; F820-L862 HydrophobicContact CE1-CD2 4.26Å; F820-H867 AromaticContact CE1-CD2 3.84Å; F820-H867 AromaticContact CE1-NE2 3.56Å
821	D	93.2	Very high	96.4	Very high	9 Å²	9	44 Å²	44	5%	0.048	21%	0.205	C	C	.	.			trans	-106.1	-176.1	151.2	81.4	19.4	0	0	0	109.9	Q793 K823 R824 W826 G840 I841	Q793-D821 HydrophobicContact CG-CB 4.46Å; D821-K823 PolarHBondContact O-N 3.38Å; D821-K823 WeakPolarHBondContact OD1-CA 3.22Å; D821-K823 PolarHBondContact OD1-N 2.98Å; D821-R824 PolarHBondContact N-O 3.07Å; D821-R824 PolarHBondContact OD1-N 2.93Å; D821-R824 IonicContact OD1-NE 2.98Å; D821-R824 IonicContact OD2-CZ 2.92Å; D821-R824 IonicContact OD2-NE 3.9Å; D821-R824 PolarHBondContact OD2-NE 3.34Å; D821-R824 VanDerWaalsContact OD2-NE 3.11Å; D821-R824 IonicContact OD2-NH2 3.72Å; D821-R824 PolarHBondContact OD2-NH2 3.38Å; D821-W826 HydrophobicContact CB-CZ3 4.34Å; D821-W826 WeakPolarHBondContact OD2-CH2 3.36Å; D821-G840 WeakPolarHBondContact O-CA 3.24Å; D821-I841 PolarHBondContact O-N 3.44Å
822	Y	92.8	Very high	96.4	Very high	162 Å²	162	47.3 Å²	47.3	64%	0.635	22%	0.218	S	C	*	.	S	Bend	trans	-67	-1.3	-178.9	77.3	-71	0	0	0	115.5
823	K	92.6	Very high	96.3	Very high	119 Å²	119	52 Å²	52	52%	0.517	24%	0.239	S	C	.	.	S	Bend	trans	-137.9	-22.1	-178.8	-81.1	175.9	174.1	158	0	114.8	D821 G839 G840	D821-K823 PolarHBondContact O-N 3.38Å; D821-K823 WeakPolarHBondContact OD1-CA 3.22Å; D821-K823 PolarHBondContact OD1-N 2.98Å; K823-G839 CarbonylContact O-C 3.56Å; K823-G839 VanDerWaalsContact O-C 3.3Å; K823-G839 WeakPolarHBondContact O-CA 3.41Å; K823-G839 PolarHBondContact O-N 3.26Å; K823-G840 PolarHBondContact O-N 2.9Å
824	R	95.3	Very high	96.2	Very high	85 Å²	85	49.6 Å²	49.6	32%	0.321	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	171	-163	-58.6	172.7	-69	179.4	5.4	111.3	F820 D821 W826 D838 G839	F820-R824 CarbonylContact C-O 3.56Å; F820-R824 WeakPolarHBondContact CA-O 3.33Å; D821-R824 PolarHBondContact N-O 3.07Å; D821-R824 PolarHBondContact OD1-N 2.93Å; D821-R824 IonicContact OD1-NE 2.98Å; D821-R824 IonicContact OD2-CZ 2.92Å; D821-R824 IonicContact OD2-NE 3.9Å; D821-R824 PolarHBondContact OD2-NE 3.34Å; D821-R824 VanDerWaalsContact OD2-NE 3.11Å; D821-R824 IonicContact OD2-NH2 3.72Å; D821-R824 PolarHBondContact OD2-NH2 3.38Å; R824-W826 HydrophobicContact CB-CH2 3.77Å; R824-W826 HydrophobicContact CB-CZ2 4.3Å; R824-W826 HydrophobicContact CB-CZ3 3.95Å; R824-D838 WeakPolarHBondContact CG-OD1 3.38Å; R824-G839 CarbonylContact C-O 3.53Å; R824-G839 VanDerWaalsContact CA-O 3.23Å; R824-G839 WeakPolarHBondContact CA-O 3.48Å; R824-G839 PolarHBondContact N-O 3.47Å
825	S	97.2	Very high	96	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	161.4	174.2	59.6	0	0	0	0	111.7	Y819 R836 T837 H867	Y819-S825 CarbonylContact O-C 3.48Å; Y819-S825 WeakPolarHBondContact O-CA 3.36Å; Y819-S825 WeakPolarHBondContact O-CB 3.35Å; S825-R836 WeakPolarHBondContact O-CA 3.49Å; S825-T837 PolarHBondContact N-O 3.49Å; S825-T837 PolarHBondContact O-N 3.01Å; S825-T837 WeakPolarHBondContact OG-CB 3.22Å; S825-T837 PolarHBondContact OG-O 2.81Å; S825-H867 PolarHBondContact OG-NE2 3.07Å
826	W	97.3	Very high	95.8	Very high	39 Å²	39	57.6 Å²	57.6	15%	0.148	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	146.9	174	-59.6	-104.1	0	0	0	109.2	I818 Y819 D821 R824 H833 R836	I818-W826 CarbonylContact C-O 3.56Å; I818-W826 WeakPolarHBondContact CA-O 3.24Å; I818-W826 WeakPolarHBondContact CG1-O 3.49Å; Y819-W826 HydrophobicContact CD1-CB 4.24Å; Y819-W826 HydrophobicContact CD2-CE3 4.13Å; Y819-W826 HydrophobicContact CE1-CB 3.68Å; Y819-W826 HydrophobicContact CE1-CD2 4.39Å; Y819-W826 HydrophobicContact CE1-CE3 4.18Å; Y819-W826 HydrophobicContact CE1-CG 4.25Å; Y819-W826 HydrophobicContact CE2-CD2 4.28Å; Y819-W826 AromaticContact CE2-CE3 3.41Å; Y819-W826 HydrophobicContact CE2-CE3 3.41Å; Y819-W826 VanDerWaalsContact CE2-CE3 3.41Å; Y819-W826 AromaticContact CE2-CZ3 3.76Å; Y819-W826 HydrophobicContact CE2-CZ3 3.76Å; Y819-W826 AromaticContact CZ-CD2 3.85Å; Y819-W826 AromaticContact CZ-CE3 3.44Å; Y819-W826 VanDerWaalsContact CZ-CE3 3.44Å; Y819-W826 PolarHBondContact N-O 3.42Å; Y819-W826 PolarHBondContact O-N 2.99Å; D821-W826 HydrophobicContact CB-CZ3 4.34Å; D821-W826 WeakPolarHBondContact OD2-CH2 3.36Å; R824-W826 HydrophobicContact CB-CH2 3.77Å; R824-W826 HydrophobicContact CB-CZ2 4.3Å; R824-W826 HydrophobicContact CB-CZ3 3.95Å; W826-H833 HydrophobicContact CB-CB 4.34Å; W826-R836 HydrophobicContact CZ2-CG 4.28Å
827	F	97.5	Very high	95.6	Very high	2 Å²	2	58 Å²	58	1%	0.009	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	145.4	165.5	-52.1	-36	0	0	0	109.6	S817 I818 H833 F834 E835 Y860 P869 A871 F872	S817-F827 WeakPolarHBondContact O-CA 3.17Å; I818-F827 HydrophobicContact CB-CD1 4.06Å; I818-F827 HydrophobicContact CB-CE1 4.49Å; I818-F827 HydrophobicContact CD1-CD1 4.09Å; I818-F827 HydrophobicContact CD1-CE1 3.81Å; I818-F827 HydrophobicContact CG1-CD1 3.85Å; I818-F827 HydrophobicContact CG1-CE1 4.11Å; F827-H833 VanDerWaalsContact O-CA 3.31Å; F827-H833 WeakPolarHBondContact O-CA 3.44Å; F827-F834 HydrophobicContact CB-CD1 4.17Å; F827-F834 HydrophobicContact CB-CD2 4.23Å; F827-F834 HydrophobicContact CB-CE1 3.75Å; F827-F834 HydrophobicContact CB-CE2 3.82Å; F827-F834 HydrophobicContact CB-CG 4.39Å; F827-F834 HydrophobicContact CB-CZ 3.55Å; F827-F834 HydrophobicContact CD2-CD2 4.2Å; F827-F834 AromaticContact CD2-CE2 3.75Å; F827-F834 HydrophobicContact CD2-CE2 3.75Å; F827-F834 HydrophobicContact CD2-CZ 4.25Å; F827-F834 HydrophobicContact CG-CE2 4.3Å; F827-F834 HydrophobicContact CG-CZ 4.39Å; F827-F834 PolarHBondContact N-O 2.98Å; F827-F834 PolarHBondContact O-N 2.7Å; F827-E835 HydrophobicContact CD2-CB 3.48Å; F827-E835 VanDerWaalsContact CD2-CB 3.48Å; F827-E835 HydrophobicContact CD2-CG 4.16Å; F827-E835 HydrophobicContact CE2-CB 3.62Å; F827-E835 HydrophobicContact CE2-CG 3.78Å; F827-E835 HydrophobicContact CG-CB 4.4Å; F827-Y860 HydrophobicContact CD1-CD2 4.21Å; F827-Y860 HydrophobicContact CD1-CE2 4.21Å; F827-Y860 AromaticContact CE1-CD2 3.83Å; F827-Y860 HydrophobicContact CE1-CD2 3.83Å; F827-Y860 HydrophobicContact CE1-CE2 4.28Å; F827-P869 HydrophobicContact CE2-CG 4.1Å; F827-P869 HydrophobicContact CZ-CG 4.48Å; F827-P869 WeakPolarHBondContact CZ-O 3.45Å; F827-A871 HydrophobicContact CB-CB 4.41Å; F827-A871 HydrophobicContact CD1-CB 3.49Å; F827-A871 VanDerWaalsContact CD1-CB 3.49Å; F827-A871 HydrophobicContact CD2-CB 3.59Å; F827-A871 HydrophobicContact CE1-CB 3.51Å; F827-A871 VanDerWaalsContact CE2-CA 3.46Å; F827-A871 HydrophobicContact CE2-CB 3.61Å; F827-A871 HydrophobicContact CG-CB 3.55Å; F827-A871 HydrophobicContact CZ-CB 3.58Å; F827-F872 HydrophobicContact CB-CE2 4.4Å; F827-F872 HydrophobicContact CB-CZ 4.19Å
828	L	97.6	Very high	95.2	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	125.2	-171.9	-178.7	62.7	0	0	0	111	M808 L811 S817 Y819 E832 H833	M808-L828 HydrophobicContact CE-CD2 4.19Å; M808-L828 HydrophobicContact SD-CD2 4.2Å; L811-L828 HydrophobicContact CD2-CD1 4.16Å; L811-L828 HydrophobicContact CD2-CD2 4.04Å; L811-L828 HydrophobicContact CD2-CG 4.49Å; L811-L828 HydrophobicContact CG-CD2 4.47Å; S817-L828 PolarHBondContact N-O 3.28Å; S817-L828 PolarHBondContact O-N 3.11Å; S817-L828 PolarHBondContact OG-O 3.15Å; Y819-L828 HydrophobicContact CD1-CB 3.95Å; Y819-L828 HydrophobicContact CD1-CD2 3.77Å; Y819-L828 HydrophobicContact CD1-CG 4.42Å; Y819-L828 HydrophobicContact CE1-CB 4.33Å; Y819-L828 HydrophobicContact CE1-CD2 4.13Å; L828-E832 WeakPolarHBondContact CA-O 3.49Å; L828-H833 HydrophobicContact CD1-CB 4.1Å
829	H	97.2	Very high	94.8	Very high	48 Å²	48	64 Å²	64	22%	0.222	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	140.2	174.5	175.7	56.8	0	0	0	110.2	G810 S815 W816 G831 E832 F872	G810-H829 CarbonylContact O-C 3.13Å; G810-H829 WeakPolarHBondContact O-CA 3.35Å; G810-H829 PolarHBondContact O-N 3.46Å; S815-H829 PolarHBondContact O-ND1 3.23Å; W816-H829 AromaticContact CD1-CE1 3.83Å; W816-H829 AromaticContact CD1-CG 3.55Å; W816-H829 AromaticContact CD1-ND1 3.44Å; W816-H829 AromaticContact CD2-CE1 3.99Å; W816-H829 AromaticContact CD2-ND1 3.9Å; W816-H829 AromaticContact CE2-CE1 3.22Å; W816-H829 AromaticContact CE2-ND1 3.54Å; W816-H829 AromaticContact CE2-NE2 3.8Å; W816-H829 AromaticContact CG-ND1 3.86Å; W816-H829 AromaticContact CZ2-CE1 3.39Å; W816-H829 WeakPolarHBondContact CZ2-CE1 3.39Å; W816-H829 AromaticContact CZ2-NE2 3.94Å; W816-H829 AromaticContact NE1-CD2 3.59Å; W816-H829 AromaticContact NE1-CE1 3.13Å; W816-H829 PolarHBondContact NE1-CE1 3.05Å; W816-H829 AromaticContact NE1-CG 3.52Å; W816-H829 AromaticContact NE1-ND1 3.24Å; W816-H829 PolarHBondContact NE1-ND1 3.38Å; W816-H829 AromaticContact NE1-NE2 3.34Å; W816-H829 PolarHBondContact NE1-NE2 3.4Å; H829-G831 PolarHBondContact O-N 3.22Å; H829-E832 PolarHBondContact N-O 2.9Å; H829-E832 PolarHBondContact O-N 3.46Å; H829-F872 HydrophobicContact CB-CE1 3.67Å; H829-F872 HydrophobicContact CB-CZ 3.99Å
830	N	96.7	Very high	94.5	Very high	80 Å²	80	63.4 Å²	63.4	43%	0.428	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	26.9	-176.6	-170.3	43.8	0	0	0	114.3	G810 D812 M813 E832	G810-N830 PolarHBondContact O-N 3.33Å; D812-N830 PolarHBondContact O-N 2.94Å; D812-N830 VanDerWaalsContact O-N 3.17Å; M813-N830 HydrophobicContact CG-CB 4.04Å; M813-N830 WeakPolarHBondContact CG-OD1 3.39Å; N830-E832 PolarHBondContact O-N 3.34Å
831	G	95.7	Very high	94.4	Very high	28 Å²	28	63.6 Å²	63.6	29%	0.289	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	-4.8	-174.8	0	0	0	0	0	115.8	G810 H829	G810-G831 PolarHBondContact O-N 3.1Å; H829-G831 PolarHBondContact O-N 3.22Å
832	E	96	Very high	94.5	Very high	143 Å²	143	67.6 Å²	67.6	67%	0.668	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	119.7	172.5	-65.2	-165.7	149.6	0	0	110.3	L828 H829 N830	L828-E832 WeakPolarHBondContact CA-O 3.49Å; H829-E832 PolarHBondContact N-O 2.9Å; H829-E832 PolarHBondContact O-N 3.46Å; N830-E832 PolarHBondContact O-N 3.34Å
833	H	94.2	Very high	94.6	Very high	120 Å²	120	62.7 Å²	62.7	56%	0.556	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	127.5	174.2	26	-124.3	0	0	0	111.5	Y819 W826 F827 L828	Y819-H833 HydrophobicContact CE1-CB 4.22Å; W826-H833 HydrophobicContact CB-CB 4.34Å; F827-H833 VanDerWaalsContact O-CA 3.31Å; F827-H833 WeakPolarHBondContact O-CA 3.44Å; L828-H833 HydrophobicContact CD1-CB 4.1Å
834	F	94.6	Very high	94.6	Very high	84 Å²	84	59 Å²	59	37%	0.368	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	175.1	-176.1	65.8	-78.8	0	0	0	111.8	F827 F872	F827-F834 HydrophobicContact CB-CD1 4.17Å; F827-F834 HydrophobicContact CB-CD2 4.23Å; F827-F834 HydrophobicContact CB-CE1 3.75Å; F827-F834 HydrophobicContact CB-CE2 3.82Å; F827-F834 HydrophobicContact CB-CG 4.39Å; F827-F834 HydrophobicContact CB-CZ 3.55Å; F827-F834 HydrophobicContact CD2-CD2 4.2Å; F827-F834 AromaticContact CD2-CE2 3.75Å; F827-F834 HydrophobicContact CD2-CE2 3.75Å; F827-F834 HydrophobicContact CD2-CZ 4.25Å; F827-F834 HydrophobicContact CG-CE2 4.3Å; F827-F834 HydrophobicContact CG-CZ 4.39Å; F827-F834 PolarHBondContact N-O 2.98Å; F827-F834 PolarHBondContact O-N 2.7Å; F834-F872 AromaticContact CE1-CE1 3.8Å; F834-F872 HydrophobicContact CE1-CE1 3.8Å; F834-F872 HydrophobicContact CE1-CZ 4.08Å; F834-F872 HydrophobicContact CZ-CD1 4.13Å; F834-F872 AromaticContact CZ-CE1 3.52Å; F834-F872 HydrophobicContact CZ-CE1 3.52Å; F834-F872 AromaticContact CZ-CZ 3.92Å; F834-F872 HydrophobicContact CZ-CZ 3.92Å
835	E	92.1	Very high	94.6	Very high	106 Å²	106	55 Å²	55	50%	0.495	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	45.6	67.2	178.8	-147.7	61	-162.4	0	0	114.9	F827 T837 P869	F827-E835 HydrophobicContact CD2-CB 3.48Å; F827-E835 VanDerWaalsContact CD2-CB 3.48Å; F827-E835 HydrophobicContact CD2-CG 4.16Å; F827-E835 HydrophobicContact CE2-CB 3.62Å; F827-E835 HydrophobicContact CE2-CG 3.78Å; F827-E835 HydrophobicContact CG-CB 4.4Å; E835-T837 PolarHBondContact O-N 3.15Å; E835-T837 PolarHBondContact O-OG1 3.04Å; E835-P869 HydrophobicContact CG-CG 3.77Å
836	R	93.2	Very high	94.7	Very high	139 Å²	139	56.4 Å²	56.4	53%	0.525	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	106.9	175.3	-179.7	-167.6	145.5	-164.7	-8.5	109.8	S825 W826 D838	S825-R836 WeakPolarHBondContact O-CA 3.49Å; W826-R836 HydrophobicContact CZ2-CG 4.28Å; R836-D838 IonicContact CZ-OD1 2.7Å; R836-D838 IonicContact CZ-OD2 2.71Å; R836-D838 IonicContact NE-OD1 2.68Å; R836-D838 PolarHBondContact NE-OD1 3.15Å; R836-D838 IonicContact NH2-OD1 2.66Å; R836-D838 PolarHBondContact NH2-OD1 3.15Å; R836-D838 IonicContact NH2-OD2 2.73Å; R836-D838 PolarHBondContact NH2-OD2 2.93Å
837	T	93.7	Very high	94.7	Very high	25 Å²	25	54.5 Å²	54.5	15%	0.153	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.9	171.8	-59.6	0	0	0	0	109	S825 E835	S825-T837 PolarHBondContact N-O 3.49Å; S825-T837 PolarHBondContact O-N 3.01Å; S825-T837 WeakPolarHBondContact OG-CB 3.22Å; S825-T837 PolarHBondContact OG-O 2.81Å; E835-T837 PolarHBondContact O-N 3.15Å; E835-T837 PolarHBondContact O-OG1 3.04Å
838	D	90.9	Very high	94.7	Very high	99 Å²	99	54.5 Å²	54.5	53%	0.529	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	144.5	175.2	-77.6	-5.2	0	0	0	110.5	R824 R836	R824-D838 WeakPolarHBondContact CG-OD1 3.38Å; R836-D838 IonicContact CZ-OD1 2.7Å; R836-D838 IonicContact CZ-OD2 2.71Å; R836-D838 IonicContact NE-OD1 2.68Å; R836-D838 PolarHBondContact NE-OD1 3.15Å; R836-D838 IonicContact NH2-OD1 2.66Å; R836-D838 PolarHBondContact NH2-OD1 3.15Å; R836-D838 IonicContact NH2-OD2 2.73Å; R836-D838 PolarHBondContact NH2-OD2 2.93Å
839	G	88.9	Confident	94.7	Very high	28 Å²	28	54.4 Å²	54.4	29%	0.289	30%	0.296	S	S	.	.			trans	114.2	121.8	-159.9	0	0	0	0	0	109.8	K823 R824	K823-G839 CarbonylContact O-C 3.56Å; K823-G839 VanDerWaalsContact O-C 3.3Å; K823-G839 WeakPolarHBondContact O-CA 3.41Å; K823-G839 PolarHBondContact O-N 3.26Å; R824-G839 CarbonylContact C-O 3.53Å; R824-G839 VanDerWaalsContact CA-O 3.23Å; R824-G839 WeakPolarHBondContact CA-O 3.48Å; R824-G839 PolarHBondContact N-O 3.47Å
840	G	91.8	Very high	94.7	Very high	14 Å²	14	52.9 Å²	52.9	14%	0.144	29%	0.289	C	S	.	.			trans	-136.3	166.5	-175	0	0	0	0	0	111.5	D821 K823	D821-G840 WeakPolarHBondContact O-CA 3.24Å; K823-G840 PolarHBondContact O-N 2.9Å
841	I	95	Very high	94.7	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.015	27%	0.269	C	S	.	.			trans	-91.3	157.7	-175.6	63.5	171.1	0	0	0	113.3	V785 P794 F820 D821 V847 L862	V785-I841 HydrophobicContact CG1-CD1 4.32Å; V785-I841 HydrophobicContact CG2-CB 4.32Å; V785-I841 HydrophobicContact CG2-CD1 4.05Å; V785-I841 HydrophobicContact CG2-CG2 4.43Å; P794-I841 HydrophobicContact CG-CD1 3.34Å; F820-I841 HydrophobicContact CB-CB 4.41Å; F820-I841 HydrophobicContact CB-CD1 4.13Å; F820-I841 HydrophobicContact CB-CG1 3.82Å; F820-I841 HydrophobicContact CB-CG2 3.97Å; F820-I841 HydrophobicContact CD1-CG2 3.78Å; F820-I841 HydrophobicContact CD2-CG2 4.05Å; F820-I841 HydrophobicContact CE1-CG2 4.21Å; F820-I841 HydrophobicContact CE2-CG2 4.44Å; F820-I841 HydrophobicContact CG-CG1 4.49Å; F820-I841 HydrophobicContact CG-CG2 3.68Å; D821-I841 PolarHBondContact O-N 3.44Å; I841-V847 HydrophobicContact CG2-CG2 3.87Å; I841-L862 HydrophobicContact CG2-CD1 4.12Å
842	H	94.3	Very high	94.7	Very high	93 Å²	93	48.4 Å²	48.4	43%	0.431	26%	0.258	S	S	.	.			trans	-148.5	171.6	170.8	48.9	-82.3	0	0	0	108.9	G844 S845	H842-G844 PolarHBondContact O-N 2.81Å; H842-S845 PolarHBondContact CE1-OG 3.19Å; H842-S845 VanDerWaalsContact CE1-OG 3.25Å; H842-S845 PolarHBondContact N-OG 2.98Å; H842-S845 PolarHBondContact ND1-OG 3.16Å; H842-S845 VanDerWaalsContact O-CB 3.27Å; H842-S845 WeakPolarHBondContact O-CB 3.04Å; H842-S845 PolarHBondContact O-N 3.14Å; H842-S845 PolarHBondContact O-OG 3.16Å; H842-S845 VanDerWaalsContact O-OG 3.07Å
843	A	94.7	Very high	94.6	Very high	60 Å²	60	42.8 Å²	42.8	50%	0.496	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	128.8	174.8	0	0	0	0	0	110.4	V785	V785-A843 CarbonylContact O-C 3.6Å; V785-A843 WeakPolarHBondContact O-CA 3.48Å
844	G	92.5	Very high	94.3	Very high	41 Å²	41	42.1 Å²	42.1	42%	0.423	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.8	-10.1	-171.5	0	0	0	0	0	115.4	V785 H842	V785-G844 PolarHBondContact O-N 2.79Å; H842-G844 PolarHBondContact O-N 2.81Å
845	S	96.4	Very high	94.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.241	C	C	.	.			trans	-65.9	146.2	171.6	-62.5	0	0	0	0	111.7	V785 H842 N863	V785-S845 PolarHBondContact N-O 3Å; H842-S845 PolarHBondContact CE1-OG 3.19Å; H842-S845 VanDerWaalsContact CE1-OG 3.25Å; H842-S845 PolarHBondContact N-OG 2.98Å; H842-S845 PolarHBondContact ND1-OG 3.16Å; H842-S845 VanDerWaalsContact O-CB 3.27Å; H842-S845 WeakPolarHBondContact O-CB 3.04Å; H842-S845 PolarHBondContact O-N 3.14Å; H842-S845 PolarHBondContact O-OG 3.16Å; H842-S845 VanDerWaalsContact O-OG 3.07Å; S845-N863 WeakPolarHBondContact CA-OD1 3.36Å
846	V	97.7	Very high	94.3	Very high	30 Å²	30	39.7 Å²	39.7	18%	0.182	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.3	173.7	-176	0	0	0	0	109.4	E782 F783 L862 N863	E782-V846 HydrophobicContact CB-CG1 3.87Å; E782-V846 HydrophobicContact CG-CG1 3.88Å; F783-V846 WeakPolarHBondContact O-CA 3.29Å; V846-L862 WeakPolarHBondContact O-CA 3.44Å; V846-N863 PolarHBondContact N-OD1 2.99Å; V846-N863 PolarHBondContact O-N 2.61Å
847	V	98.2	Very high	94.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	113.1	175.9	-178.3	0	0	0	0	108.9	E782 F783 F796 F820 I841 I849 Y861 L862	E782-V847 CarbonylContact C-O 3.6Å; E782-V847 VanDerWaalsContact CA-O 3.3Å; E782-V847 WeakPolarHBondContact CA-O 3.35Å; F783-V847 PolarHBondContact N-O 2.94Å; F783-V847 PolarHBondContact O-N 2.94Å; F796-V847 HydrophobicContact CB-CG1 4.25Å; F796-V847 HydrophobicContact CD1-CB 4.28Å; F796-V847 HydrophobicContact CD1-CG1 4.19Å; F796-V847 HydrophobicContact CD2-CG1 4.03Å; F796-V847 HydrophobicContact CD2-CG2 4.43Å; F796-V847 HydrophobicContact CE1-CB 4.2Å; F796-V847 HydrophobicContact CE1-CG2 4.37Å; F796-V847 HydrophobicContact CE2-CB 4.43Å; F796-V847 HydrophobicContact CE2-CG1 4.4Å; F796-V847 HydrophobicContact CE2-CG2 3.99Å; F796-V847 HydrophobicContact CG-CB 4.44Å; F796-V847 HydrophobicContact CG-CG1 3.92Å; F796-V847 HydrophobicContact CZ-CB 4.28Å; F796-V847 HydrophobicContact CZ-CG2 3.96Å; F820-V847 HydrophobicContact CD2-CG2 4.49Å; F820-V847 HydrophobicContact CE2-CG1 3.8Å; F820-V847 HydrophobicContact CE2-CG2 3.86Å; F820-V847 HydrophobicContact CZ-CG1 4.12Å; F820-V847 HydrophobicContact CZ-CG2 4.12Å; I841-V847 HydrophobicContact CG2-CG2 3.87Å; V847-I849 HydrophobicContact CG1-CD1 4.22Å; V847-I849 WeakPolarHBondContact O-CD1 3.39Å; V847-Y861 CarbonylContact C-O 3.19Å; V847-Y861 WeakPolarHBondContact CA-O 3.42Å; V847-L862 HydrophobicContact CG2-CD1 4.23Å
848	G	97.8	Very high	94.6	Very high	1 Å²	1	32 Å²	32	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	141.8	174.1	0	0	0	0	0	112	Y860 Y861	G848-Y860 WeakPolarHBondContact O-CA 3.49Å; G848-Y861 PolarHBondContact N-O 3.41Å; G848-Y861 PolarHBondContact O-N 2.88Å
849	I	98.2	Very high	94.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	116.9	-179.3	-55.5	92.3	0	0	0	108.5	Y780 W781 F783 F796 V847 L858 Y860	Y780-I849 WeakPolarHBondContact CA-O 3.2Å; Y780-I849 VanDerWaalsContact CD2-O 3.27Å; Y780-I849 WeakPolarHBondContact CD2-O 3.28Å; W781-I849 HydrophobicContact CD2-CB 4.39Å; W781-I849 HydrophobicContact CH2-CG2 4.09Å; W781-I849 HydrophobicContact CZ2-CB 3.92Å; W781-I849 HydrophobicContact CZ2-CG2 3.52Å; W781-I849 PolarHBondContact N-O 3.03Å; W781-I849 PolarHBondContact O-N 3.28Å; F783-I849 HydrophobicContact CD2-CD1 3.91Å; F783-I849 HydrophobicContact CE2-CD1 4.4Å; F796-I849 HydrophobicContact CB-CD1 4.11Å; F796-I849 HydrophobicContact CB-CG1 4.17Å; F796-I849 HydrophobicContact CD1-CD1 4.48Å; V847-I849 HydrophobicContact CG1-CD1 4.22Å; V847-I849 WeakPolarHBondContact O-CD1 3.39Å; I849-L858 HydrophobicContact CG2-CD1 3.76Å; I849-Y860 HydrophobicContact CB-CD1 4.43Å; I849-Y860 HydrophobicContact CB-CE1 4.34Å; I849-Y860 HydrophobicContact CG1-CD1 3.88Å; I849-Y860 HydrophobicContact CG1-CE1 3.79Å; I849-Y860 HydrophobicContact CG2-CD1 4.33Å; I849-Y860 HydrophobicContact CG2-CE1 3.87Å
850	R	97.1	Very high	95.2	Very high	17 Å²	17	26.7 Å²	26.7	6%	0.064	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	120	179	-175.2	178.6	173.2	-80.2	3.3	109.7	V778 H779 Y780 L858 S859 Y861 A900 P901 E903	V778-R850 HydrophobicContact CG1-CG 4.33Å; H779-R850 WeakPolarHBondContact O-CA 3.06Å; Y780-R850 HydrophobicContact CD2-CB 3.85Å; Y780-R850 HydrophobicContact CE2-CB 4.49Å; R850-L858 WeakPolarHBondContact O-CA 3.28Å; R850-S859 PolarHBondContact N-O 3.47Å; R850-S859 PolarHBondContact O-N 3.15Å; R850-Y861 HydrophobicContact CB-CD2 4.43Å; R850-Y861 HydrophobicContact CB-CE2 3.76Å; R850-A900 HydrophobicContact CG-CB 4.47Å; R850-P901 PolarHBondContact NE-O 3.32Å; R850-E903 IonicContact CZ-OE1 3.32Å; R850-E903 IonicContact NH1-OE1 2.74Å; R850-E903 PolarHBondContact NH1-OE1 3.47Å; R850-E903 IonicContact NH2-OE1 3.07Å; R850-E903 PolarHBondContact NH2-OE1 3.47Å
851	F	96.6	Very high	95.5	Very high	3 Å²	3	27 Å²	27	1%	0.013	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	115.9	-178.7	179.4	-133.3	0	0	0	111.1	L774 V778 H779 W781 I798 C853 S857 L858 L875 Y880	L774-F851 HydrophobicContact CB-CD1 4.29Å; L774-F851 HydrophobicContact CB-CE1 4.23Å; L774-F851 HydrophobicContact CD1-CD1 4.26Å; V778-F851 WeakPolarHBondContact CA-O 3.39Å; H779-F851 PolarHBondContact N-O 2.8Å; H779-F851 PolarHBondContact O-N 2.85Å; W781-F851 HydrophobicContact CH2-CB 3.97Å; W781-F851 HydrophobicContact CZ3-CB 4.13Å; I798-F851 HydrophobicContact CD1-CD1 4.47Å; I798-F851 HydrophobicContact CD1-CD2 3.75Å; I798-F851 HydrophobicContact CD1-CE1 4.25Å; I798-F851 HydrophobicContact CD1-CE2 3.52Å; I798-F851 HydrophobicContact CD1-CG 4.25Å; I798-F851 HydrophobicContact CD1-CZ 3.79Å; I798-F851 HydrophobicContact CG2-CD1 4.32Å; I798-F851 HydrophobicContact CG2-CG 4.32Å; F851-C853 HydrophobicContact CE1-CB 4.41Å; F851-C853 WeakPolarHBondContact CE1-SG 3.26Å; F851-S857 WeakPolarHBondContact CD2-O 3.3Å; F851-L858 HydrophobicContact CB-CD1 3.77Å; F851-L858 HydrophobicContact CD2-CD1 4Å; F851-L858 HydrophobicContact CG-CD1 4.19Å; F851-L875 HydrophobicContact CD2-CD1 4.44Å; F851-L875 HydrophobicContact CE2-CD1 3.78Å; F851-Y880 HydrophobicContact CE1-CD2 4.41Å; F851-Y880 HydrophobicContact CE1-CG 4.21Å; F851-Y880 AromaticContact CZ-CD2 4Å; F851-Y880 HydrophobicContact CZ-CD2 4Å; F851-Y880 AromaticContact CZ-CG 3.98Å; F851-Y880 HydrophobicContact CZ-CG 3.98Å
852	D	94.8	Very high	95.5	Very high	11 Å²	11	27.8 Å²	27.8	6%	0.059	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	105.8	170.2	-175.9	-21.3	0	0	0	109.1	V778 N854 R855 G856 S857	V778-D852 HydrophobicContact CG1-CB 4.44Å; V778-D852 HydrophobicContact CG2-CB 4.11Å; D852-N854 PolarHBondContact O-N 2.83Å; D852-N854 WeakPolarHBondContact OD1-CA 3.5Å; D852-N854 VanDerWaalsContact OD1-CB 3.25Å; D852-N854 WeakPolarHBondContact OD1-CB 3.3Å; D852-N854 PolarHBondContact OD1-N 2.83Å; D852-R855 HydrophobicContact CB-CB 4.36Å; D852-R855 PolarHBondContact OD1-N 2.91Å; D852-R855 WeakPolarHBondContact OD2-CD 3.43Å; D852-R855 WeakPolarHBondContact OD2-CG 3.44Å; D852-G856 CarbonylContact O-C 3.53Å; D852-G856 VanDerWaalsContact O-CA 3.25Å; D852-G856 WeakPolarHBondContact O-CA 3.32Å; D852-G856 PolarHBondContact O-N 2.92Å; D852-S857 PolarHBondContact N-O 3.2Å; D852-S857 PolarHBondContact O-N 3.32Å
853	C	93	Very high	95.6	Very high	24 Å²	24	25 Å²	25	16%	0.162	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-22.2	177.7	-58.9	0	0	0	0	113.1	S775 G777 H779 F851	S775-C853 VanDerWaalsContact C-CB 3.5Å; G777-C853 WeakPolarHBondContact O-CB 3.39Å; G777-C853 PolarHBondContact O-N 3.2Å; H779-C853 PolarHBondContact CD2-SG 2.96Å; H779-C853 PolarHBondContact NE2-SG 3.28Å; H779-C853 VanDerWaalsContact NE2-SG 3.39Å; F851-C853 HydrophobicContact CE1-CB 4.41Å; F851-C853 WeakPolarHBondContact CE1-SG 3.26Å
854	N	88.6	Confident	95.4	Very high	107 Å²	107	27.2 Å²	27.2	57%	0.572	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-40.6	-173.3	-47.1	-43.2	0	0	0	110.9	G777 D852 G856	G777-N854 PolarHBondContact N-OD1 3.35Å; D852-N854 PolarHBondContact O-N 2.83Å; D852-N854 WeakPolarHBondContact OD1-CA 3.5Å; D852-N854 VanDerWaalsContact OD1-CB 3.25Å; D852-N854 WeakPolarHBondContact OD1-CB 3.3Å; D852-N854 PolarHBondContact OD1-N 2.83Å; N854-G856 VanDerWaalsContact C-N 3.35Å
855	R	91.9	Very high	95.5	Very high	132 Å²	132	29.9 Å²	29.9	50%	0.498	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-12.4	170.8	-64.6	174.2	78.3	-168.4	7.8	112.7	D852 S857 N874 E903	D852-R855 HydrophobicContact CB-CB 4.36Å; D852-R855 PolarHBondContact OD1-N 2.91Å; D852-R855 WeakPolarHBondContact OD2-CD 3.43Å; D852-R855 WeakPolarHBondContact OD2-CG 3.44Å; R855-S857 VanDerWaalsContact C-N 3.3Å; R855-S857 PolarHBondContact O-N 3.46Å; R855-N874 PolarHBondContact O-N 3.16Å; R855-E903 IonicContact CZ-OE2 2.88Å; R855-E903 IonicContact NH1-OE1 3.18Å; R855-E903 PolarHBondContact NH1-OE1 3.02Å; R855-E903 IonicContact NH1-OE2 2.95Å; R855-E903 PolarHBondContact NH1-OE2 2.88Å; R855-E903 IonicContact NH2-OE2 3.19Å
856	G	94.6	Very high	95.4	Very high	6 Å²	6	34.1 Å²	34.1	6%	0.062	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	44.5	-170.6	0	0	0	0	0	111	D852 N854 T873 N874 L875	D852-G856 CarbonylContact O-C 3.53Å; D852-G856 VanDerWaalsContact O-CA 3.25Å; D852-G856 WeakPolarHBondContact O-CA 3.32Å; D852-G856 PolarHBondContact O-N 2.92Å; N854-G856 VanDerWaalsContact C-N 3.35Å; G856-T873 CarbonylContact O-C 3.59Å; G856-T873 WeakPolarHBondContact O-CA 3.27Å; G856-N874 PolarHBondContact O-N 2.96Å; G856-L875 VanDerWaalsContact O-CB 3.3Å; G856-L875 WeakPolarHBondContact O-CB 3.47Å; G856-L875 WeakPolarHBondContact O-CD1 3.5Å; G856-L875 VanDerWaalsContact O-CG 3.23Å; G856-L875 WeakPolarHBondContact O-CG 3.04Å; G856-L875 PolarHBondContact O-N 2.83Å
857	S	96.1	Very high	95.3	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.028	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	146.5	-176.3	62.1	0	0	0	0	113.4	F851 D852 R855 F872	F851-S857 WeakPolarHBondContact CD2-O 3.3Å; D852-S857 PolarHBondContact N-O 3.2Å; D852-S857 PolarHBondContact O-N 3.32Å; R855-S857 VanDerWaalsContact C-N 3.3Å; R855-S857 PolarHBondContact O-N 3.46Å; S857-F872 CarbonylContact C-O 3.52Å; S857-F872 WeakPolarHBondContact CA-O 3.31Å; S857-F872 WeakPolarHBondContact CB-O 3.4Å
858	L	96.9	Very high	94.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	122.6	-174.2	-168.8	66	0	0	0	108.9	I798 W816 I849 R850 F851 Y860 A871 F872 L875	I798-L858 HydrophobicContact CD1-CD1 4.31Å; I798-L858 HydrophobicContact CD1-CD2 4.09Å; I798-L858 HydrophobicContact CG1-CD2 3.91Å; I798-L858 HydrophobicContact CG2-CD1 4.19Å; W816-L858 HydrophobicContact CB-CD2 4.2Å; I849-L858 HydrophobicContact CG2-CD1 3.76Å; R850-L858 WeakPolarHBondContact O-CA 3.28Å; F851-L858 HydrophobicContact CB-CD1 3.77Å; F851-L858 HydrophobicContact CD2-CD1 4Å; F851-L858 HydrophobicContact CG-CD1 4.19Å; L858-Y860 HydrophobicContact CD2-CE2 4.4Å; L858-Y860 WeakPolarHBondContact CD2-OH 3.47Å; L858-Y860 HydrophobicContact CG-CE2 4.3Å; L858-A871 PolarHBondContact O-N 3.3Å; L858-F872 HydrophobicContact CB-CB 4.28Å; L858-F872 HydrophobicContact CB-CD2 4.22Å; L858-F872 HydrophobicContact CD2-CD2 3.87Å; L858-F872 HydrophobicContact CD2-CE2 4.36Å; L858-F872 PolarHBondContact N-O 2.83Å; L858-F872 PolarHBondContact O-N 3.16Å; L858-L875 HydrophobicContact CB-CD1 4.41Å
859	S	96.5	Very high	94.7	Very high	11 Å²	11	38.2 Å²	38.2	8%	0.077	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	154.9	176	64.4	0	0	0	0	111.6	R850	R850-S859 PolarHBondContact N-O 3.47Å; R850-S859 PolarHBondContact O-N 3.15Å
860	Y	97.5	Very high	94.5	Very high	3 Å²	3	41.6 Å²	41.6	1%	0.012	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	152.3	-171.9	-64.9	-75.7	0	0	0	111.7	F796 G797 S817 I818 F827 G848 I849 L858 H867 A871	F796-Y860 PolarHBondContact O-OH 2.93Å; G797-Y860 WeakPolarHBondContact CA-OH 3.48Å; S817-Y860 VanDerWaalsContact C-OH 3.28Å; S817-Y860 WeakPolarHBondContact CA-OH 3.48Å; I818-Y860 HydrophobicContact CB-CD1 4.22Å; I818-Y860 HydrophobicContact CB-CD2 3.85Å; I818-Y860 HydrophobicContact CB-CE1 4.09Å; I818-Y860 HydrophobicContact CB-CE2 3.71Å; I818-Y860 HydrophobicContact CB-CG 4.1Å; I818-Y860 HydrophobicContact CD1-CD2 4.23Å; I818-Y860 HydrophobicContact CD1-CG 4.25Å; I818-Y860 HydrophobicContact CG2-CD1 3.47Å; I818-Y860 VanDerWaalsContact CG2-CD1 3.47Å; I818-Y860 HydrophobicContact CG2-CD2 4.04Å; I818-Y860 HydrophobicContact CG2-CE1 3.47Å; I818-Y860 VanDerWaalsContact CG2-CE1 3.47Å; I818-Y860 HydrophobicContact CG2-CE2 4.03Å; I818-Y860 HydrophobicContact CG2-CG 3.77Å; I818-Y860 PolarHBondContact N-OH 3.08Å; F827-Y860 HydrophobicContact CD1-CD2 4.21Å; F827-Y860 HydrophobicContact CD1-CE2 4.21Å; F827-Y860 AromaticContact CE1-CD2 3.83Å; F827-Y860 HydrophobicContact CE1-CD2 3.83Å; F827-Y860 HydrophobicContact CE1-CE2 4.28Å; G848-Y860 WeakPolarHBondContact O-CA 3.49Å; I849-Y860 HydrophobicContact CB-CD1 4.43Å; I849-Y860 HydrophobicContact CB-CE1 4.34Å; I849-Y860 HydrophobicContact CG1-CD1 3.88Å; I849-Y860 HydrophobicContact CG1-CE1 3.79Å; I849-Y860 HydrophobicContact CG2-CD1 4.33Å; I849-Y860 HydrophobicContact CG2-CE1 3.87Å; L858-Y860 HydrophobicContact CD2-CE2 4.4Å; L858-Y860 WeakPolarHBondContact CD2-OH 3.47Å; L858-Y860 HydrophobicContact CG-CE2 4.3Å; Y860-H867 PolarHBondContact O-N 3.5Å; Y860-A871 HydrophobicContact CD2-CB 3.89Å; Y860-A871 HydrophobicContact CE2-CB 3.63Å
861	Y	96.8	Very high	94.3	Very high	21 Å²	21	41.1 Å²	41.1	8%	0.082	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	143.9	177.8	-62.2	-102.9	0	0	0	108.8	Y780 V847 G848 R850 Q865 P866 P901	Y780-Y861 AromaticContact CE2-CD2 3.9Å; Y780-Y861 HydrophobicContact CE2-CD2 3.9Å; Y780-Y861 HydrophobicContact CE2-CE2 4.4Å; Y780-Y861 HydrophobicContact CE2-CG 4.45Å; V847-Y861 CarbonylContact C-O 3.19Å; V847-Y861 WeakPolarHBondContact CA-O 3.42Å; G848-Y861 PolarHBondContact N-O 3.41Å; G848-Y861 PolarHBondContact O-N 2.88Å; R850-Y861 HydrophobicContact CB-CD2 4.43Å; R850-Y861 HydrophobicContact CB-CE2 3.76Å; Y861-Q865 CarbonylContact C-O 3.52Å; Y861-Q865 WeakPolarHBondContact CA-O 3.47Å; Y861-Q865 WeakPolarHBondContact CB-O 3.26Å; Y861-P866 HydrophobicContact CD1-CB 4.48Å; Y861-P866 HydrophobicContact CD1-CG 4.32Å; Y861-P866 HydrophobicContact CE1-CB 4.29Å; Y861-P866 HydrophobicContact CE1-CG 3.96Å; Y861-P901 HydrophobicContact CD1-CG 4.4Å; Y861-P901 HydrophobicContact CE1-CB 3.9Å; Y861-P901 HydrophobicContact CE1-CG 3.96Å; Y861-P901 HydrophobicContact CE2-CG 4.3Å
862	L	96.4	Very high	94.3	Very high	19 Å²	19	42 Å²	42	10%	0.099	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	114.8	176.2	-179.6	64.2	0	0	0	108.1	F820 I841 V846 V847 Q865 H867	F820-L862 HydrophobicContact CE1-CD1 4.44Å; F820-L862 HydrophobicContact CE1-CD2 4.26Å; I841-L862 HydrophobicContact CG2-CD1 4.12Å; V846-L862 WeakPolarHBondContact O-CA 3.44Å; V847-L862 HydrophobicContact CG2-CD1 4.23Å; L862-Q865 PolarHBondContact N-O 2.96Å; L862-Q865 PolarHBondContact O-N 2.78Å; L862-H867 HydrophobicContact CB-CB 3.75Å
863	N	94.9	Very high	94.3	Very high	36 Å²	36	45.5 Å²	45.5	19%	0.193	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	58.6	-175.3	-48.2	-42.8	0	0	0	111.8	P83 S845 V846 Q865	P83-N863 HydrophobicContact CB-CB 4.38Å; S845-N863 WeakPolarHBondContact CA-OD1 3.36Å; V846-N863 PolarHBondContact N-OD1 2.99Å; V846-N863 PolarHBondContact O-N 2.61Å; N863-Q865 PolarHBondContact O-N 3.21Å
864	D	91.8	Very high	94.2	Very high	105 Å²	105	51 Å²	51	56%	0.561	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	-1.2	-179.4	-50.6	-28	0	0	0	116.8
865	Q	93.6	Very high	94.5	Very high	97 Å²	97	46.8 Å²	46.8	45%	0.453	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	143.7	176.5	-57.8	-51.2	-67.5	0	0	111.8	Y861 L862 N863 H867	Y861-Q865 CarbonylContact C-O 3.52Å; Y861-Q865 WeakPolarHBondContact CA-O 3.47Å; Y861-Q865 WeakPolarHBondContact CB-O 3.26Å; L862-Q865 PolarHBondContact N-O 2.96Å; L862-Q865 PolarHBondContact O-N 2.78Å; N863-Q865 PolarHBondContact O-N 3.21Å; Q865-H867 PolarHBondContact O-N 3Å
866	P	94.3	Very high	94.5	Very high	90 Å²	90	44 Å²	44	58%	0.584	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.4	130.9	169.9	-22	32.3	0	0	0	111.1	Y861	Y861-P866 HydrophobicContact CD1-CB 4.48Å; Y861-P866 HydrophobicContact CD1-CG 4.32Å; Y861-P866 HydrophobicContact CE1-CB 4.29Å; Y861-P866 HydrophobicContact CE1-CG 3.96Å
867	H	95	Very high	94.3	Very high	14 Å²	14	49.8 Å²	49.8	7%	0.065	30%	0.295	C	S	.	.			trans	-121.1	93	-171.6	-173.2	77.3	0	0	0	111.3	F820 S825 Y860 L862 Q865	F820-H867 AromaticContact CE1-CD2 3.84Å; F820-H867 AromaticContact CE1-NE2 3.56Å; S825-H867 PolarHBondContact OG-NE2 3.07Å; Y860-H867 PolarHBondContact O-N 3.5Å; L862-H867 HydrophobicContact CB-CB 3.75Å; Q865-H867 PolarHBondContact O-N 3Å
868	G	91.4	Very high	94.1	Very high	32 Å²	32	51.1 Å²	51.1	33%	0.33	31%	0.31	S	S	.	.	S	Bend	trans	81.6	178	-171.6	0	0	0	0	0	112.9
869	P	93.3	Very high	94	Very high	70 Å²	70	55.5 Å²	55.5	46%	0.455	33%	0.332	S	S	.	.	S	Bend	trans	-72.7	178.9	174.7	31.9	-34.6	0	0	0	111.5	F827 E835 A871	F827-P869 HydrophobicContact CE2-CG 4.1Å; F827-P869 HydrophobicContact CZ-CG 4.48Å; F827-P869 WeakPolarHBondContact CZ-O 3.45Å; E835-P869 HydrophobicContact CG-CG 3.77Å; P869-A871 PolarHBondContact O-N 3.26Å
870	I	93.3	Very high	94	Very high	71 Å²	71	55.2 Å²	55.2	36%	0.364	33%	0.329	S	S	.	.			trans	-62.3	111.2	172.3	-58	178.1	0	0	0	108.7	F872 T873	I870-F872 WeakPolarHBondContact CG2-O 3.47Å; I870-F872 PolarHBondContact O-N 2.97Å; I870-T873 HydrophobicContact CG2-CG2 3.78Å
871	A	94.1	Very high	94	Very high	8 Å²	8	57.4 Å²	57.4	7%	0.066	34%	0.338	C	S	.	.			trans	-67.7	-37.1	-167.1	0	0	0	0	0	114.1	F827 L858 Y860 P869	F827-A871 HydrophobicContact CB-CB 4.41Å; F827-A871 HydrophobicContact CD1-CB 3.49Å; F827-A871 VanDerWaalsContact CD1-CB 3.49Å; F827-A871 HydrophobicContact CD2-CB 3.59Å; F827-A871 HydrophobicContact CE1-CB 3.51Å; F827-A871 VanDerWaalsContact CE2-CA 3.46Å; F827-A871 HydrophobicContact CE2-CB 3.61Å; F827-A871 HydrophobicContact CG-CB 3.55Å; F827-A871 HydrophobicContact CZ-CB 3.58Å; L858-A871 PolarHBondContact O-N 3.3Å; Y860-A871 HydrophobicContact CD2-CB 3.89Å; Y860-A871 HydrophobicContact CE2-CB 3.63Å; P869-A871 PolarHBondContact O-N 3.26Å
872	F	95.7	Very high	94.1	Very high	21 Å²	21	56.4 Å²	56.4	9%	0.092	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-140.7	145.5	179.8	-56.5	-82.5	0	0	0	109.3	W816 F827 H829 F834 S857 L858 I870 L875	W816-F872 HydrophobicContact CB-CD2 4.09Å; W816-F872 HydrophobicContact CB-CE1 4.5Å; W816-F872 HydrophobicContact CB-CE2 3.95Å; W816-F872 HydrophobicContact CB-CG 4.42Å; W816-F872 HydrophobicContact CB-CZ 4.16Å; W816-F872 AromaticContact CD1-CD1 3.59Å; W816-F872 AromaticContact CD1-CE1 3.69Å; W816-F872 AromaticContact CD1-CG 3.99Å; W816-F872 HydrophobicContact CG-CD1 4.49Å; F827-F872 HydrophobicContact CB-CE2 4.4Å; F827-F872 HydrophobicContact CB-CZ 4.19Å; H829-F872 HydrophobicContact CB-CE1 3.67Å; H829-F872 HydrophobicContact CB-CZ 3.99Å; F834-F872 AromaticContact CE1-CE1 3.8Å; F834-F872 HydrophobicContact CE1-CE1 3.8Å; F834-F872 HydrophobicContact CE1-CZ 4.08Å; F834-F872 HydrophobicContact CZ-CD1 4.13Å; F834-F872 AromaticContact CZ-CE1 3.52Å; F834-F872 HydrophobicContact CZ-CE1 3.52Å; F834-F872 AromaticContact CZ-CZ 3.92Å; F834-F872 HydrophobicContact CZ-CZ 3.92Å; S857-F872 CarbonylContact C-O 3.52Å; S857-F872 WeakPolarHBondContact CA-O 3.31Å; S857-F872 WeakPolarHBondContact CB-O 3.4Å; L858-F872 HydrophobicContact CB-CB 4.28Å; L858-F872 HydrophobicContact CB-CD2 4.22Å; L858-F872 HydrophobicContact CD2-CD2 3.87Å; L858-F872 HydrophobicContact CD2-CE2 4.36Å; L858-F872 PolarHBondContact N-O 2.83Å; L858-F872 PolarHBondContact O-N 3.16Å; I870-F872 WeakPolarHBondContact CG2-O 3.47Å; I870-F872 PolarHBondContact O-N 2.97Å; F872-L875 HydrophobicContact CB-CD1 4.29Å; F872-L875 HydrophobicContact CB-CD2 4.37Å; F872-L875 HydrophobicContact CB-CG 4.31Å
873	T	94.2	Very high	94.1	Very high	84 Å²	84	55.6 Å²	55.6	52%	0.515	33%	0.33	S	S	.	.			trans	-138.9	160.3	174.5	62	0	0	0	0	109.8	G856 I870 L875	G856-T873 CarbonylContact O-C 3.59Å; G856-T873 WeakPolarHBondContact O-CA 3.27Å; I870-T873 HydrophobicContact CG2-CG2 3.78Å; T873-L875 PolarHBondContact O-N 2.85Å
874	N	92.1	Very high	94.3	Very high	139 Å²	139	53.9 Å²	53.9	74%	0.743	32%	0.321	S	S	*	.	S	Bend	trans	56	31.7	177.9	-53.9	-79.3	0	0	0	113.9	R855 G856	R855-N874 PolarHBondContact O-N 3.16Å; G856-N874 PolarHBondContact O-N 2.96Å
875	L	94.2	Very high	94.5	Very high	19 Å²	19	48.9 Å²	48.9	10%	0.099	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-53.1	138.1	172.5	-72.9	163.3	0	0	0	110.4	I798 W816 F851 G856 L858 F872 T873	I798-L875 HydrophobicContact CD1-CD1 3.88Å; W816-L875 HydrophobicContact CD2-CD2 3.73Å; W816-L875 HydrophobicContact CG-CD2 3.74Å; W816-L875 HydrophobicContact CZ2-CD2 4.23Å; F851-L875 HydrophobicContact CD2-CD1 4.44Å; F851-L875 HydrophobicContact CE2-CD1 3.78Å; G856-L875 VanDerWaalsContact O-CB 3.3Å; G856-L875 WeakPolarHBondContact O-CB 3.47Å; G856-L875 WeakPolarHBondContact O-CD1 3.5Å; G856-L875 VanDerWaalsContact O-CG 3.23Å; G856-L875 WeakPolarHBondContact O-CG 3.04Å; G856-L875 PolarHBondContact O-N 2.83Å; L858-L875 HydrophobicContact CB-CD1 4.41Å; F872-L875 HydrophobicContact CB-CD1 4.29Å; F872-L875 HydrophobicContact CB-CD2 4.37Å; F872-L875 HydrophobicContact CB-CG 4.31Å; T873-L875 PolarHBondContact O-N 2.85Å
876	P	91.5	Very high	94.7	Very high	74 Å²	74	44.2 Å²	44.2	48%	0.481	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-55.9	145.9	-179.4	-26.6	34.3	0	0	0	112.9	G878 Y880	P876-G878 PolarHBondContact O-N 3.33Å; P876-Y880 VanDerWaalsContact O-CE2 3.25Å; P876-Y880 WeakPolarHBondContact O-CE2 3.44Å; P876-Y880 PolarHBondContact O-OH 3.06Å
877	S	89.9	Confident	94.7	Very high	127 Å²	127	40.6 Å²	40.6	89%	0.888	25%	0.249	S	C	*	.	S	Bend	trans	-63.3	137.1	174.1	53.4	0	0	0	0	111.4
878	G	92.5	Very high	94.7	Very high	33 Å²	33	47 Å²	47	34%	0.34	27%	0.272	S	S	.	.	S	Bend	trans	169.3	-171.9	-174.1	0	0	0	0	0	113	S775 P876	S775-G878 VanDerWaalsContact CB-O 3.26Å; S775-G878 WeakPolarHBondContact CB-O 3.38Å; P876-G878 PolarHBondContact O-N 3.33Å
879	I	94.5	Very high	94.8	Very high	92 Å²	92	46.1 Å²	46.1	47%	0.472	26%	0.262	S	S	.	.			trans	-103.7	125.8	173.3	-56.2	175.8	0	0	0	108.5	L774 Y881	L774-I879 WeakPolarHBondContact O-CA 3.21Å; I879-Y881 HydrophobicContact CG2-CD2 4.45Å; I879-Y881 HydrophobicContact CG2-CE2 3.75Å
880	Y	97.3	Very high	95	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.016	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-123.3	131.8	-176.5	-70.5	-94	0	0	0	109.8	L774 I798 K800 W816 F851 P876	L774-Y880 WeakPolarHBondContact CA-O 3.44Å; L774-Y880 WeakPolarHBondContact CB-O 3.17Å; L774-Y880 PolarHBondContact N-O 3.03Å; L774-Y880 PolarHBondContact O-N 2.97Å; I798-Y880 HydrophobicContact CB-CD1 4.48Å; I798-Y880 HydrophobicContact CD1-CD1 3.72Å; I798-Y880 HydrophobicContact CD1-CE1 4.33Å; I798-Y880 HydrophobicContact CD1-CG 4.19Å; I798-Y880 HydrophobicContact CG1-CD1 4.13Å; K800-Y880 VanDerWaalsContact CE-OH 3.31Å; K800-Y880 WeakPolarHBondContact CE-OH 3.45Å; K800-Y880 HydrophobicContact CG-CD1 4.48Å; K800-Y880 HydrophobicContact CG-CE1 4.26Å; W816-Y880 HydrophobicContact CE3-CD1 4.3Å; W816-Y880 AromaticContact CE3-CE1 3.77Å; W816-Y880 HydrophobicContact CE3-CE1 3.77Å; W816-Y880 HydrophobicContact CH2-CE1 4.02Å; W816-Y880 HydrophobicContact CZ3-CD1 4.2Å; W816-Y880 AromaticContact CZ3-CE1 3.45Å; W816-Y880 HydrophobicContact CZ3-CE1 3.45Å; W816-Y880 VanDerWaalsContact CZ3-CE1 3.45Å; F851-Y880 HydrophobicContact CE1-CD2 4.41Å; F851-Y880 HydrophobicContact CE1-CG 4.21Å; F851-Y880 AromaticContact CZ-CD2 4Å; F851-Y880 HydrophobicContact CZ-CD2 4Å; F851-Y880 AromaticContact CZ-CG 3.98Å; F851-Y880 HydrophobicContact CZ-CG 3.98Å; P876-Y880 VanDerWaalsContact O-CE2 3.25Å; P876-Y880 WeakPolarHBondContact O-CE2 3.44Å; P876-Y880 PolarHBondContact O-OH 3.06Å
881	Y	97.5	Very high	95.2	Very high	49 Å²	49	41.9 Å²	41.9	19%	0.192	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	137.3	178.5	-64.9	-99	0	0	0	108.6	G770 I798 A799 Y801 I879 A883	G770-Y881 WeakPolarHBondContact O-CD1 3.28Å; I798-Y881 CarbonylContact C-O 3.52Å; I798-Y881 VanDerWaalsContact CA-O 3.28Å; I798-Y881 WeakPolarHBondContact CA-O 3.38Å; A799-Y881 PolarHBondContact N-O 2.92Å; A799-Y881 PolarHBondContact O-N 3.23Å; Y801-Y881 HydrophobicContact CD2-CE1 4.39Å; Y801-Y881 HydrophobicContact CD2-CE2 4.12Å; Y801-Y881 AromaticContact CD2-CZ 3.98Å; Y801-Y881 HydrophobicContact CG-CE2 4.43Å; I879-Y881 HydrophobicContact CG2-CD2 4.45Å; I879-Y881 HydrophobicContact CG2-CE2 3.75Å; Y881-A883 PolarHBondContact O-N 2.89Å
882	P	97.9	Very high	95.4	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.2	136.6	163.2	-27.5	36.7	0	0	0	109.9	F738 L769 G770 L774 W781	F738-P882 HydrophobicContact CD1-CG 4.12Å; F738-P882 HydrophobicContact CD2-CB 4.24Å; F738-P882 HydrophobicContact CD2-CG 4.16Å; F738-P882 HydrophobicContact CE1-CB 4.17Å; F738-P882 HydrophobicContact CE1-CG 3.7Å; F738-P882 HydrophobicContact CE2-CB 3.47Å; F738-P882 VanDerWaalsContact CE2-CB 3.47Å; F738-P882 HydrophobicContact CE2-CG 3.74Å; F738-P882 HydrophobicContact CG-CG 4.34Å; F738-P882 HydrophobicContact CZ-CB 3.43Å; F738-P882 VanDerWaalsContact CZ-CB 3.43Å; F738-P882 HydrophobicContact CZ-CG 3.48Å; F738-P882 VanDerWaalsContact CZ-CG 3.48Å; L769-P882 CarbonylContact C-O 3.57Å; L769-P882 WeakPolarHBondContact CA-O 3.37Å; G770-P882 PolarHBondContact N-O 2.95Å; L774-P882 HydrophobicContact CD1-CG 3.9Å; W781-P882 HydrophobicContact CD2-CB 4.25Å; W781-P882 HydrophobicContact CD2-CG 4.29Å; W781-P882 HydrophobicContact CE3-CG 4.27Å; W781-P882 HydrophobicContact CH2-CB 4.18Å; W781-P882 HydrophobicContact CH2-CG 3.97Å; W781-P882 HydrophobicContact CZ2-CB 3.65Å; W781-P882 HydrophobicContact CZ2-CG 3.96Å; W781-P882 HydrophobicContact CZ3-CG 4.12Å
883	A	98.1	Very high	95.5	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	146.5	-173.5	0	0	0	0	0	112	V767 L769 G797 A799 L809 Y881	V767-A883 HydrophobicContact CG1-CB 4.42Å; L769-A883 HydrophobicContact CD2-CB 3.63Å; G797-A883 PolarHBondContact N-O 2.82Å; G797-A883 PolarHBondContact O-N 3.04Å; A799-A883 HydrophobicContact CB-CB 3.96Å; L809-A883 HydrophobicContact CD1-CB 3.61Å; L809-A883 HydrophobicContact CD2-CB 3.8Å; L809-A883 WeakPolarHBondContact CD2-O 3.27Å; L809-A883 HydrophobicContact CG-CB 4.39Å; Y881-A883 PolarHBondContact O-N 2.89Å
884	V	97.8	Very high	95.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	149	167.1	-63.9	0	0	0	0	110.3	V758 V767 I768 F783 A795 F796 L886 L892	V758-V884 HydrophobicContact CG1-CG2 4.49Å; V767-V884 VanDerWaalsContact CA-O 3.31Å; V767-V884 WeakPolarHBondContact CA-O 3.33Å; I768-V884 HydrophobicContact CG2-CG2 3.67Å; I768-V884 PolarHBondContact N-O 3.1Å; I768-V884 PolarHBondContact O-N 3.47Å; F783-V884 HydrophobicContact CD1-CG1 4.29Å; F783-V884 HydrophobicContact CD2-CG1 3.9Å; F783-V884 HydrophobicContact CE1-CG1 3.88Å; F783-V884 HydrophobicContact CE1-CG2 4.3Å; F783-V884 HydrophobicContact CE2-CG1 3.45Å; F783-V884 VanDerWaalsContact CE2-CG1 3.45Å; F783-V884 HydrophobicContact CG-CG1 4.29Å; F783-V884 HydrophobicContact CZ-CG1 3.44Å; F783-V884 VanDerWaalsContact CZ-CG1 3.44Å; F783-V884 HydrophobicContact CZ-CG2 4.31Å; A795-V884 CarbonylContact O-C 3.44Å; A795-V884 WeakPolarHBondContact O-CA 3.34Å; F796-V884 HydrophobicContact CB-CG1 4.48Å; F796-V884 HydrophobicContact CD1-CG1 3.65Å; F796-V884 HydrophobicContact CE1-CG1 4.31Å; F796-V884 HydrophobicContact CG-CG1 4.33Å; V884-L886 HydrophobicContact CG2-CD2 4.1Å; V884-L892 HydrophobicContact CB-CD1 4.11Å; V884-L892 HydrophobicContact CG1-CD1 4.2Å; V884-L892 HydrophobicContact CG2-CD1 4.17Å
885	S	96.9	Very high	95.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	146	159.2	78.4	0	0	0	0	111.5	D765 R766 P794 A795 M808 L809	D765-S885 WeakPolarHBondContact OD1-CB 3.2Å; D765-S885 PolarHBondContact OD1-OG 3.47Å; R766-S885 VanDerWaalsContact O-CA 3.3Å; R766-S885 WeakPolarHBondContact O-CA 3.48Å; P794-S885 VanDerWaalsContact CA-O 3.31Å; P794-S885 WeakPolarHBondContact CA-O 3.41Å; P794-S885 WeakPolarHBondContact CB-O 3.36Å; A795-S885 PolarHBondContact N-O 3.03Å; A795-S885 VanDerWaalsContact N-O 3.12Å; A795-S885 PolarHBondContact O-N 3.42Å; M808-S885 WeakPolarHBondContact CA-OG 3.37Å; L809-S885 PolarHBondContact N-OG 3.4Å
886	L	96.5	Very high	95.8	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	153.2	178.5	64.1	159.2	0	0	0	112.8	I749 V758 D765 R766 V884 I890	I749-L886 HydrophobicContact CD1-CD2 4.22Å; V758-L886 HydrophobicContact CG1-CD1 4.04Å; V758-L886 HydrophobicContact CG1-CD2 4.05Å; V758-L886 HydrophobicContact CG2-CD1 4.27Å; V758-L886 HydrophobicContact CG2-CD2 4.07Å; D765-L886 PolarHBondContact OD1-N 3.32Å; R766-L886 PolarHBondContact N-O 2.81Å; R766-L886 VanDerWaalsContact N-O 3.15Å; R766-L886 PolarHBondContact O-N 3.28Å; V884-L886 HydrophobicContact CG2-CD2 4.1Å; L886-I890 HydrophobicContact CB-CB 4.02Å; L886-I890 HydrophobicContact CB-CG2 4.02Å; L886-I890 HydrophobicContact CD1-CB 4.45Å; L886-I890 HydrophobicContact CD1-CG2 4.24Å
887	T	95	Very high	95.8	Very high	14 Å²	14	30.1 Å²	30.1	9%	0.086	17%	0.167	C	C	.	.			trans	-100	173.5	166.4	81.1	0	0	0	0	110.3	S763 D765 A889 I890	S763-T887 WeakPolarHBondContact O-CG2 3.27Å; D765-T887 VanDerWaalsContact OD2-CG2 3.28Å; D765-T887 WeakPolarHBondContact OD2-CG2 3.45Å; T887-A889 PolarHBondContact O-N 2.86Å; T887-A889 WeakPolarHBondContact OG1-CB 3.48Å; T887-A889 PolarHBondContact OG1-N 3.45Å; T887-I890 PolarHBondContact O-N 3.4Å
888	R	94.9	Very high	95.8	Very high	148 Å²	148	26.7 Å²	26.7	56%	0.558	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-20.1	174.2	72	-175.3	-165.9	-173.9	2.6	115	S760 L762 S763 R787 I890	S760-R888 VanDerWaalsContact O-CA 3.26Å; S760-R888 WeakPolarHBondContact O-CA 3.41Å; S760-R888 WeakPolarHBondContact O-CB 3.48Å; L762-R888 VanDerWaalsContact O-CB 3.31Å; L762-R888 WeakPolarHBondContact O-CB 3.27Å; L762-R888 PolarHBondContact O-N 3.03Å; S763-R888 VanDerWaalsContact OG-CZ 3.25Å; S763-R888 PolarHBondContact OG-NE 3.24Å; S763-R888 PolarHBondContact OG-NH1 3.31Å; R787-R888 PolarHBondContact NH2-O 3.14Å; R888-I890 PolarHBondContact O-N 3.04Å
889	A	94.3	Very high	95.7	Very high	14 Å²	14	31.6 Å²	31.6	12%	0.116	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-12.3	176.2	0	0	0	0	0	112.8	D789 T887	D789-A889 HydrophobicContact CB-CB 3.97Å; D789-A889 WeakPolarHBondContact CB-O 3.36Å; D789-A889 PolarHBondContact N-O 3.04Å; D789-A889 WeakPolarHBondContact OD2-CA 3.34Å; T887-A889 PolarHBondContact O-N 2.86Å; T887-A889 WeakPolarHBondContact OG1-CB 3.48Å; T887-A889 PolarHBondContact OG1-N 3.45Å
890	I	96.5	Very high	95.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	147.1	-174.1	-59.1	-63.5	0	0	0	110.2	T759 R787 C788 P794 L886 T887 R888 L892	T759-I890 PolarHBondContact OG1-O 3.31Å; R787-I890 PolarHBondContact NH2-O 2.98Å; R787-I890 WeakPolarHBondContact O-CA 3.43Å; C788-I890 HydrophobicContact CB-CD1 4.1Å; P794-I890 HydrophobicContact CB-CG1 4.13Å; P794-I890 HydrophobicContact CB-CG2 4.01Å; P794-I890 HydrophobicContact CG-CD1 3.87Å; P794-I890 HydrophobicContact CG-CG1 3.97Å; P794-I890 HydrophobicContact CG-CG2 4.08Å; L886-I890 HydrophobicContact CB-CB 4.02Å; L886-I890 HydrophobicContact CB-CG2 4.02Å; L886-I890 HydrophobicContact CD1-CB 4.45Å; L886-I890 HydrophobicContact CD1-CG2 4.24Å; T887-I890 PolarHBondContact O-N 3.4Å; R888-I890 PolarHBondContact O-N 3.04Å; I890-L892 HydrophobicContact CG2-CD1 4.32Å; I890-L892 HydrophobicContact CG2-CD2 3.6Å; I890-L892 HydrophobicContact CG2-CG 3.69Å
891	Q	97.1	Very high	94.9	Very high	51 Å²	51	30.1 Å²	30.1	24%	0.238	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	137.1	159.4	179.9	-171.6	-53.6	0	0	109.3	T757 V758 D786 R787	T757-Q891 HydrophobicContact CG2-CG 3.88Å; V758-Q891 VanDerWaalsContact O-CA 3.31Å; V758-Q891 WeakPolarHBondContact O-CA 3.4Å; V758-Q891 WeakPolarHBondContact O-CG 3.33Å; D786-Q891 HydrophobicContact CB-CB 4.21Å; D786-Q891 HydrophobicContact CB-CG 4.04Å; D786-Q891 PolarHBondContact N-O 2.87Å; D786-Q891 PolarHBondContact OD2-NE2 2.79Å; R787-Q891 HydrophobicContact CB-CB 4.04Å; R787-Q891 PolarHBondContact N-O 3.4Å; R787-Q891 PolarHBondContact O-N 2.83Å; R787-Q891 VanDerWaalsContact O-N 3.08Å
892	L	98.2	Very high	94	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	143.5	-176.1	-53.2	172.9	0	0	0	110.6	T757 V758 F783 T784 V785 F796 V884 I890	T757-L892 CarbonylContact C-O 3.6Å; T757-L892 VanDerWaalsContact CA-O 3.3Å; T757-L892 WeakPolarHBondContact CA-O 3.47Å; V758-L892 HydrophobicContact CG1-CB 4.04Å; V758-L892 PolarHBondContact N-O 3.5Å; V758-L892 PolarHBondContact O-N 3.35Å; F783-L892 HydrophobicContact CD1-CB 3.91Å; F783-L892 HydrophobicContact CD1-CD1 4.46Å; T784-L892 CarbonylContact O-C 3.42Å; T784-L892 VanDerWaalsContact O-CA 3.31Å; T784-L892 WeakPolarHBondContact O-CA 3.35Å; V785-L892 HydrophobicContact CB-CD2 4.39Å; V785-L892 HydrophobicContact CG1-CD2 4.49Å; V785-L892 HydrophobicContact CG2-CD2 3.96Å; F796-L892 HydrophobicContact CD1-CD1 4.44Å; F796-L892 HydrophobicContact CE1-CD1 3.64Å; F796-L892 HydrophobicContact CE1-CD2 3.89Å; F796-L892 HydrophobicContact CE1-CG 4.37Å; F796-L892 HydrophobicContact CZ-CD1 4.08Å; F796-L892 HydrophobicContact CZ-CD2 3.81Å; V884-L892 HydrophobicContact CB-CD1 4.11Å; V884-L892 HydrophobicContact CG1-CD1 4.2Å; V884-L892 HydrophobicContact CG2-CD1 4.17Å; I890-L892 HydrophobicContact CG2-CD1 4.32Å; I890-L892 HydrophobicContact CG2-CD2 3.6Å; I890-L892 HydrophobicContact CG2-CG 3.69Å
893	T	97.8	Very high	92.5	Very high	15 Å²	15	36.3 Å²	36.3	9%	0.092	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.5	170.9	-72.3	0	0	0	0	111.4	T757 F783 T784 D786	T757-T893 WeakPolarHBondContact CB-OG1 3.44Å; T757-T893 WeakPolarHBondContact CG2-OG1 3.43Å; T757-T893 PolarHBondContact OG1-OG1 3.22Å; F783-T893 CarbonylContact C-O 3.53Å; F783-T893 VanDerWaalsContact CA-O 3.32Å; F783-T893 WeakPolarHBondContact CA-O 3.35Å; T784-T893 PolarHBondContact N-O 3.15Å; T784-T893 PolarHBondContact O-N 3.25Å; D786-T893 VanDerWaalsContact CG-OG1 3.31Å; D786-T893 WeakPolarHBondContact OD1-CB 3.49Å; D786-T893 PolarHBondContact OD1-OG1 2.94Å; D786-T893 PolarHBondContact OD2-OG1 3.29Å
894	L	98.2	Very high	90.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	129.1	-179.6	171	64.5	0	0	0	113.5	F738 L740 R756 W781 F783	F738-L894 HydrophobicContact CD2-CD2 3.68Å; F738-L894 HydrophobicContact CE2-CD1 3.58Å; F738-L894 HydrophobicContact CE2-CD2 3.44Å; F738-L894 VanDerWaalsContact CE2-CD2 3.44Å; F738-L894 HydrophobicContact CE2-CG 4.15Å; F738-L894 HydrophobicContact CZ-CD1 3.57Å; F738-L894 HydrophobicContact CZ-CD2 4.21Å; L740-L894 HydrophobicContact CD2-CD2 4.11Å; L740-L894 HydrophobicContact CG-CD2 4.04Å; R756-L894 WeakPolarHBondContact O-CB 3.23Å; R756-L894 PolarHBondContact O-N 3.08Å; W781-L894 HydrophobicContact CB-CD1 4.4Å; F783-L894 HydrophobicContact CD1-CB 4.08Å; F783-L894 HydrophobicContact CE1-CB 3.7Å; F783-L894 HydrophobicContact CE1-CD1 4.05Å; F783-L894 HydrophobicContact CE1-CG 4.39Å; F783-L894 HydrophobicContact CE2-CD1 4.01Å; F783-L894 HydrophobicContact CZ-CB 4.26Å; F783-L894 HydrophobicContact CZ-CD1 3.74Å; F783-L894 HydrophobicContact CZ-CG 4.47Å
895	H	95.4	Very high	87.3	Confident	63 Å²	63	49.8 Å²	49.8	29%	0.292	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	100.1	166.3	-49.9	-59.8	0	0	0	110.2	W781 E782 T784 L898	W781-H895 WeakPolarHBondContact CA-O 3.49Å; E782-H895 HydrophobicContact CB-CB 4.23Å; E782-H895 PolarHBondContact N-O 3.14Å; E782-H895 PolarHBondContact O-N 3.11Å; T784-H895 PolarHBondContact OG1-NE2 3.01Å; H895-L898 HydrophobicContact CB-CD1 4.24Å
896	S	94.1	Very high	84.3	Confident	7 Å²	7	57.7 Å²	57.7	5%	0.049	30%	0.302	C	S	.	.			trans	-101.3	163.6	169.9	66.3	0	0	0	0	110.8	W737 F738	W737-S896 WeakPolarHBondContact CZ3-O 3.25Å; F738-S896 PolarHBondContact N-OG 3.38Å; F738-S896 WeakPolarHBondContact O-CB 3.48Å; F738-S896 PolarHBondContact O-OG 3.36Å
897	G	90.7	Very high	81.1	Confident	14 Å²	14	62.1 Å²	62.1	14%	0.144	33%	0.333	C	S	.	.	S	Bend	trans	88.2	23.1	-176.5	0	0	0	0	0	114.9	F735 T736	F735-G897 WeakPolarHBondContact CB-O 3.27Å; T736-G897 PolarHBondContact O-N 3.27Å
898	L	91.5	Very high	78	Confident	54 Å²	54	70 Å²	70	28%	0.283	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-93.5	159.9	-179.2	-58.1	178.8	0	0	0	112.6	F735 Y780 E782 H895	F735-L898 WeakPolarHBondContact CD1-O 3.46Å; Y780-L898 HydrophobicContact CD1-CB 3.72Å; Y780-L898 HydrophobicContact CD1-CD1 4.16Å; Y780-L898 HydrophobicContact CE1-CB 4.23Å; Y780-L898 HydrophobicContact CE1-CD1 3.93Å; E782-L898 HydrophobicContact CB-CD1 3.95Å; E782-L898 VanDerWaalsContact CD-CD1 3.4Å; E782-L898 HydrophobicContact CG-CD1 3.77Å; E782-L898 WeakPolarHBondContact OE2-CD1 3.48Å; H895-L898 HydrophobicContact CB-CD1 4.24Å
899	E	90.5	Very high	75	Confident	136 Å²	136	71.2 Å²	71.2	64%	0.636	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-83.4	139	169.5	-173.3	161.4	-153.9	0	0	110.4	F735 Y780	F735-E899 HydrophobicContact CD1-CB 4.23Å; F735-E899 HydrophobicContact CE1-CB 3.74Å; F735-E899 HydrophobicContact CE1-CG 4.17Å; Y780-E899 WeakPolarHBondContact CD1-O 3.29Å
900	A	87.5	Confident	71.9	Confident	26 Å²	26	77.9 Å²	77.9	22%	0.215	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-76.3	131	178.9	0	0	0	0	0	111.2	V778 Y780 R850 S902	V778-A900 HydrophobicContact CG1-CB 3.92Å; Y780-A900 VanDerWaalsContact CB-CA 3.48Å; R850-A900 HydrophobicContact CG-CB 4.47Å; A900-S902 PolarHBondContact O-N 2.93Å
901	P	86.9	Confident	69	Low	40 Å²	40	84 Å²	84	26%	0.26	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-53	138.7	172.6	-27.8	34.7	0	0	0	112.2	Y780 R850 Y861	Y780-P901 HydrophobicContact CD2-CG 4.48Å; Y780-P901 HydrophobicContact CE1-CG 4.45Å; Y780-P901 HydrophobicContact CE2-CG 4.18Å; R850-P901 PolarHBondContact NE-O 3.32Å; Y861-P901 HydrophobicContact CD1-CG 4.4Å; Y861-P901 HydrophobicContact CE1-CB 3.9Å; Y861-P901 HydrophobicContact CE1-CG 3.96Å; Y861-P901 HydrophobicContact CE2-CG 4.3Å
902	S	78.7	Confident	65.8	Low	107 Å²	107	87.8 Å²	87.8	75%	0.748	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-64.8	129.8	168.2	52	0	0	0	0	109.5	A900 S904	A900-S902 PolarHBondContact O-N 2.93Å; S902-S904 PolarHBondContact O-N 3.2Å
903	E	66.3	Low	62.8	Low	72 Å²	72	91.5 Å²	91.5	34%	0.336	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-62.5	126.3	162.2	-76.7	168.8	-126.1	0	0	108	R850 R855	R850-E903 IonicContact CZ-OE1 3.32Å; R850-E903 IonicContact NH1-OE1 2.74Å; R850-E903 PolarHBondContact NH1-OE1 3.47Å; R850-E903 IonicContact NH2-OE1 3.07Å; R850-E903 PolarHBondContact NH2-OE1 3.47Å; R855-E903 IonicContact CZ-OE2 2.88Å; R855-E903 IonicContact NH1-OE1 3.18Å; R855-E903 PolarHBondContact NH1-OE1 3.02Å; R855-E903 IonicContact NH1-OE2 2.95Å; R855-E903 PolarHBondContact NH1-OE2 2.88Å; R855-E903 IonicContact NH2-OE2 3.19Å
904	S	51.3	Low	59.5	Low	82 Å²	82	95 Å²	95	57%	0.573	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-72.9	133.3	168	37	0	0	0	0	109.2	S902 E906	S902-S904 PolarHBondContact O-N 3.2Å; S904-E906 PolarHBondContact O-N 3.22Å
905	E	34.8	Very low	56.3	Low	203 Å²	203	98.4 Å²	98.4	95%	0.949	61%	0.608	S	S	*	*			trans	-73.9	68.9	175.4	-64.9	179.3	163.4	0	0	110.3	S907	E905-S907 PolarHBondContact O-N 2.92Å
906	E	33.6	Very low	53.2	Low	165 Å²	165	102.4 Å²	102.4	77%	0.771	64%	0.637	S	S	*	*			trans	-76	75.2	174.1	-67.6	-164.2	149.2	0	0	111.1	S904	S904-E906 PolarHBondContact O-N 3.22Å
907	S	30.7	Very low	50.1	Low	93 Å²	93	105.7 Å²	105.7	65%	0.65	67%	0.672	S	S	*	*			trans	42.9	92.3	152.1	57.4	0	0	0	0	117.7	E905 E909	E905-S907 PolarHBondContact O-N 2.92Å; S907-E909 PolarHBondContact O-N 3.44Å
908	D	29.9	Very low	47.3	Very low	180 Å²	180	111.6 Å²	111.6	96%	0.963	71%	0.706	S	S	*	*			trans	-69.3	61.1	158.7	-79.3	-50.6	0	0	0	111.6
909	E	30.6	Very low	44.2	Very low	174 Å²	174	118.5 Å²	118.5	81%	0.813	74%	0.736	S	S	*	*			trans	-102.4	75.9	170.1	-71.8	-158.4	160.4	0	0	111.5	S907	S907-E909 PolarHBondContact O-N 3.44Å
910	D	29.9	Very low	41.5	Very low	154 Å²	154	118.3 Å²	118.3	82%	0.824	74%	0.744	S	S	*	*				174.3	98	128.3	-103.7	-25.7	0	0	0	113.7
911	S	34.6	Very low	38.7	Very low	128 Å²	128	123.4 Å²	123.4	90%	0.895	77%	0.773	S	S	*	*			trans	-170.2	91.3	146.1	-87.8	0	0	0	0	111.6	G913	S911-G913 PolarHBondContact O-N 2.89Å
912	S	30.6	Very low	35.9	Very low	131 Å²	131	126.8 Å²	126.8	92%	0.916	80%	0.798	S	S	*	*			trans	-83.4	104.7	175.2	45.3	0	0	0	0	111.8
913	G	35.1	Very low	33.5	Very low	77 Å²	77	129.8 Å²	129.8	79%	0.794	80%	0.802	S	S	*	*			trans	-148.2	100.7	176.3	0	0	0	0	0	112	S911	S911-G913 PolarHBondContact O-N 2.89Å
914	G	29.1	Very low	31.7	Very low	90 Å²	90	130 Å²	130	93%	0.928	82%	0.816	S	S	*	*			trans	-80.1	147.8	-172.7	0	0	0	0	0	114.9
915	G	31.3	Very low	30.7	Very low	71 Å²	71	132.4 Å²	132.4	73%	0.732	83%	0.828	S	S	*	*			trans	-169.5	59	-176.3	0	0	0	0	0	116.4
916	T	30.2	Very low	30.3	Very low	146 Å²	146	127.6 Å²	127.6	90%	0.896	81%	0.812	S	S	*	*			trans	29	97.1	155.8	56.6	0	0	0	0	120.1
917	G	27.5	Very low	30	Very low	76 Å²	76	125.5 Å²	125.5	78%	0.784	81%	0.81	S	S	*	*				75.6	120	124.6	0	0	0	0	0	121.4
918	T	33.3	Very low	29.9	Very low	139 Å²	139	128.2 Å²	128.2	85%	0.853	82%	0.817	S	S	*	*				-149.1	152	128.4	23.7	0	0	0	0	109.8
919	E	26.9	Very low	29.7	Very low	198 Å²	198	125.3 Å²	125.3	93%	0.925	81%	0.806	S	S	*	*			trans	-85	119.6	177.4	-60.9	174.7	130.2	0	0	110.6
920	T	32.5	Very low	29.6	Very low	132 Å²	132	124.5 Å²	124.5	81%	0.81	81%	0.806	S	S	*	*			trans	-135.1	121.6	164.7	53.2	0	0	0	0	110.6	S922	T920-S922 PolarHBondContact O-N 3.44Å
921	T	28.7	Very low	29.5	Very low	133 Å²	133	122.9 Å²	122.9	82%	0.816	80%	0.804	S	S	*	*			trans	-61.7	122.7	-171.6	-47.2	0	0	0	0	112.8	M923	T921-M923 PolarHBondContact O-N 3.08Å
922	S	28.2	Very low	29	Very low	111 Å²	111	121.9 Å²	121.9	78%	0.776	80%	0.797	S	S	*	*			trans	-66	105	165.6	-177.3	0	0	0	0	109.8	T920 A924	T920-S922 PolarHBondContact O-N 3.44Å; S922-A924 VanDerWaalsContact C-N 3.3Å; S922-A924 PolarHBondContact O-N 3.4Å
923	M	28.8	Very low	29	Very low	171 Å²	171	121.6 Å²	121.6	84%	0.842	79%	0.79	S	S	*	*			trans	-71.8	88.2	165.9	-81.2	-81.3	-172.3	0	0	108.3	T921 T925	T921-M923 PolarHBondContact O-N 3.08Å; M923-T925 PolarHBondContact O-N 2.78Å; M923-T925 VanDerWaalsContact O-N 3.15Å
924	A	27.9	Very low	28.7	Very low	76 Å²	76	124.7 Å²	124.7	63%	0.628	79%	0.788	S	S	*	*			trans	-57.6	119.2	166.9	0	0	0	0	0	108.8	S922 T926	S922-A924 VanDerWaalsContact C-N 3.3Å; S922-A924 PolarHBondContact O-N 3.4Å; A924-T926 PolarHBondContact O-N 2.79Å
925	T	29.6	Very low	28.7	Very low	133 Å²	133	128.1 Å²	128.1	82%	0.816	78%	0.779	S	S	*	*			trans	-70.9	78.7	174.1	-56.6	0	0	0	0	109.3	M923 V927	M923-T925 PolarHBondContact O-N 2.78Å; M923-T925 VanDerWaalsContact O-N 3.15Å; T925-V927 PolarHBondContact O-N 3.39Å
926	T	26.8	Very low	28.6	Very low	101 Å²	101	130.5 Å²	130.5	62%	0.62	79%	0.785	S	S	*	*			trans	-58.6	106.9	164.5	-62.1	0	0	0	0	107.4	A924 L928	A924-T926 PolarHBondContact O-N 2.79Å; T926-L928 VanDerWaalsContact C-N 3.3Å; T926-L928 HydrophobicContact CG2-CD2 4.09Å; T926-L928 HydrophobicContact CG2-CG 4.36Å; T926-L928 PolarHBondContact O-N 3.19Å
927	V	27.8	Very low	28.7	Very low	121 Å²	121	133.2 Å²	133.2	73%	0.733	78%	0.784	S	S	*	*			trans	-60.3	100.3	162.6	175.9	0	0	0	0	106.1	T925 T929	T925-V927 PolarHBondContact O-N 3.39Å; V927-T929 VanDerWaalsContact C-N 3.27Å; V927-T929 PolarHBondContact O-N 3.33Å
928	L	27.7	Very low	28.8	Very low	150 Å²	150	132.3 Å²	132.3	79%	0.785	78%	0.775	S	S	*	*			trans	-69.8	89.2	179	-79.6	171.5	0	0	0	109	T926 L930	T926-L928 VanDerWaalsContact C-N 3.3Å; T926-L928 HydrophobicContact CG2-CD2 4.09Å; T926-L928 HydrophobicContact CG2-CG 4.36Å; T926-L928 PolarHBondContact O-N 3.19Å; L928-L930 PolarHBondContact O-N 2.69Å
929	T	25.5	Very low	28.6	Very low	120 Å²	120	132.9 Å²	132.9	74%	0.736	77%	0.772	S	S	*	*			trans	-48	112.5	155.7	48.3	0	0	0	0	108.2	V927	V927-T929 VanDerWaalsContact C-N 3.27Å; V927-T929 PolarHBondContact O-N 3.33Å
930	L	29	Very low	28.8	Very low	157 Å²	157	131 Å²	131	82%	0.822	76%	0.757	S	S	*	*			trans	-53.9	128.6	175.4	-88.1	156.1	0	0	0	109.4	L928 S932	L928-L930 PolarHBondContact O-N 2.69Å; L930-S932 PolarHBondContact O-N 2.91Å; L930-S932 VanDerWaalsContact O-N 3.12Å
931	P	27.8	Very low	28.7	Very low	120 Å²	120	137.4 Å²	137.4	78%	0.779	78%	0.777	S	S	*	*			trans	-70.6	111.3	-177.2	27.1	-33.3	0	0	0	110.3	T933	P931-T933 PolarHBondContact O-N 2.87Å
932	S	25.4	Very low	28.7	Very low	106 Å²	106	137.7 Å²	137.7	74%	0.741	78%	0.775	S	S	*	*			trans	-64.2	129	176.7	-59.6	0	0	0	0	112	L930	L930-S932 PolarHBondContact O-N 2.91Å; L930-S932 VanDerWaalsContact O-N 3.12Å
933	T	28.6	Very low	28.8	Very low	125 Å²	125	139.1 Å²	139.1	77%	0.767	78%	0.775	S	S	*	*			trans	68.7	129	172	74.2	0	0	0	0	115.3	P931	P931-T933 PolarHBondContact O-N 2.87Å
934	L	29.5	Very low	28.8	Very low	143 Å²	143	137.3 Å²	137.3	75%	0.749	77%	0.771	S	S	*	*				-156.9	147.5	75.9	-95.2	165.4	0	0	0	114
935	Q	29.5	Very low	28.8	Very low	161 Å²	161	140.9 Å²	140.9	75%	0.752	78%	0.78	S	S	*	*			trans	65.3	91	154.9	-61.4	176.4	33.1	0	0	119.3
936	S	29.8	Very low	28.8	Very low	122 Å²	122	141.4 Å²	141.4	85%	0.853	78%	0.778	S	S	*	*				-125.7	117.9	109.2	63.5	0	0	0	0	110.9
937	K	30.8	Very low	28.9	Very low	202 Å²	202	144.1 Å²	144.1	88%	0.878	79%	0.788	S	S	*	*			trans	-84.4	141.3	154.7	-57.9	170.3	-178.8	175.4	0	105.7
938	G	31.1	Very low	29	Very low	57 Å²	57	145.7 Å²	145.7	59%	0.588	79%	0.792	S	S	*	*			cis	147.9	135.3	-3.8	0	0	0	0	0	110.6
939	L	29.2	Very low	29.1	Very low	152 Å²	152	145.4 Å²	145.4	80%	0.796	79%	0.793	S	S	*	*			trans	65.3	151.5	-179.6	-53.4	90.4	0	0	0	114.8
940	R	29.3	Very low	29.4	Very low	159 Å²	159	147.5 Å²	147.5	60%	0.6	80%	0.797	S	S	*	*			cis	-135.8	124.8	5.5	-64.6	172.3	165.6	-156.4	0.4	111.5	Q149 M150 S151	Q149-R940 PolarHBondContact O-NH1 3.24Å; M150-R940 VanDerWaalsContact C-NH1 3.32Å; M150-R940 PolarHBondContact O-NH1 3.29Å; S151-R940 VanDerWaalsContact CB-CD 3.44Å
941	Q	32.4	Very low	29.4	Very low	266 Å²	266	146.6 Å²	146.6	100%	1.243	80%	0.795	S	S	*	*				-160.6	0	112.4	-121.2	179.9	1.8	0	0	109.5

Retrieved 941 of 941 residues in 859.5 ms (Link to these results)

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