X5DQY4_HUMAN Loading...

Gamma-aminobutyric acid A receptor beta 3 isoform A

AlphaFold DB , UniProt , Accession X5DQY4, Species HUMAN (Homo sapiens, Human), Gene GABRB3, Length 473 aa.

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(Predicted Aligned Error values between residue pairs)

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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	44.4	Very low	47.5	Very low	243 Å²	243	132.3 Å²	132.3	100%	1.197	75%	0.747	S	S	*	*				0	98.3	0	-75.2	165.3	72.2	0	0	108.6
2	C	38.8	Very low	47.8	Very low	129 Å²	129	129.6 Å²	129.6	87%	0.872	73%	0.728	S	S	*	*			trans	-173.3	52.5	153.4	-104	0	0	0	0	107.9
3	S	46.4	Very low	47.8	Very low	131 Å²	131	134.9 Å²	134.9	92%	0.916	73%	0.73	S	S	*	*			trans	-101.5	49.3	172.7	177.5	0	0	0	0	108.9
4	G	48.3	Very low	47.5	Very low	48 Å²	48	132.6 Å²	132.6	50%	0.495	72%	0.716	S	S	.	*	S	Bend	trans	-145.9	1.6	-171.2	0	0	0	0	0	116
5	L	45.7	Very low	47.3	Very low	143 Å²	143	129.5 Å²	129.5	75%	0.749	71%	0.708	S	S	*	*	S	Bend	trans	-104.9	-11.2	-178.8	-118.6	110.4	0	0	0	114.5
6	L	46.7	Very low	46.9	Very low	151 Å²	151	135.3 Å²	135.3	79%	0.791	72%	0.717	S	S	*	*	S	Bend	trans	-91.2	-18.5	-178.7	-130.2	87.7	0	0	0	114
7	E	49.9	Very low	46.7	Very low	172 Å²	172	132.4 Å²	132.4	80%	0.804	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-10.9	-178.5	-76.7	-165	153.2	0	0	114.4
8	L	51.3	Low	46.4	Very low	128 Å²	128	132.9 Å²	132.9	67%	0.67	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-10.5	-178.9	-86.6	155.9	0	0	0	114.5
9	L	48.8	Very low	45.8	Very low	118 Å²	118	128.6 Å²	128.6	62%	0.618	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	-17.9	-175.9	-71.6	170.5	0	0	0	114.5	W13	L9-W13 PolarHBondContact O-N 3.46Å
10	L	51	Low	45.6	Very low	111 Å²	111	128.8 Å²	128.8	58%	0.581	70%	0.704	S	S	*	*	H	α-helix	trans	-67.1	-40.5	176.2	-90.4	148.1	0	0	0	114.7	I12 L14	L10-I12 VanDerWaalsContact C-N 3.34Å; L10-I12 PolarHBondContact O-N 3.4Å; L10-L14 WeakPolarHBondContact O-CD1 3.47Å; L10-L14 PolarHBondContact O-N 3.29Å
11	P	51.3	Low	45.1	Very low	81 Å²	81	134.8 Å²	134.8	53%	0.526	72%	0.716	S	S	.	*	H	α-helix	trans	-75.9	-21.6	-179	26.2	-29.5	0	0	0	113.4	S15	P11-S15 WeakPolarHBondContact O-CB 3.45Å; P11-S15 PolarHBondContact O-N 3.32Å; P11-S15 VanDerWaalsContact O-N 3.13Å
12	I	50.5	Low	44.6	Very low	100 Å²	100	125.8 Å²	125.8	51%	0.513	69%	0.685	S	S	.	*	H	α-helix	trans	-78	-35.8	177.5	-57.6	174.2	0	0	0	110.6	L10 S15 W16	L10-I12 VanDerWaalsContact C-N 3.34Å; L10-I12 PolarHBondContact O-N 3.4Å; I12-S15 PolarHBondContact O-N 3.11Å; I12-W16 PolarHBondContact O-N 3.07Å
13	W	48	Very low	44.6	Very low	199 Å²	199	125.2 Å²	125.2	75%	0.754	68%	0.682	S	S	*	*	H	α-helix	trans	-72.9	-34.4	175.9	-134.4	78.8	0	0	0	112.6	L9 T17	L9-W13 PolarHBondContact O-N 3.46Å; W13-T17 HydrophobicContact CE3-CG2 4.22Å; W13-T17 HydrophobicContact CZ3-CG2 4.27Å; W13-T17 WeakPolarHBondContact O-CG2 3.44Å; W13-T17 PolarHBondContact O-N 3.13Å; W13-T17 PolarHBondContact O-OG1 3.48Å
14	L	43.4	Very low	44.1	Very low	102 Å²	102	127 Å²	127	53%	0.534	68%	0.676	S	S	.	*	H	α-helix	trans	-71.2	-32.1	172.3	-95.9	113.5	0	0	0	113.2	L10 T17 L18	L10-L14 WeakPolarHBondContact O-CD1 3.47Å; L10-L14 PolarHBondContact O-N 3.29Å; L14-T17 WeakPolarHBondContact CA-OG1 3.41Å; L14-T17 PolarHBondContact O-N 3.23Å; L14-T17 PolarHBondContact O-OG1 2.9Å; L14-L18 PolarHBondContact O-N 3.25Å
15	S	44.6	Very low	43.8	Very low	87 Å²	87	130.9 Å²	130.9	61%	0.608	69%	0.693	S	S	*	*	H	α-helix	trans	-74.1	-24.5	177	-166.2	0	0	0	0	113.7	P11 I12	P11-S15 WeakPolarHBondContact O-CB 3.45Å; P11-S15 PolarHBondContact O-N 3.32Å; P11-S15 VanDerWaalsContact O-N 3.13Å; I12-S15 PolarHBondContact O-N 3.11Å
16	W	41.6	Very low	44	Very low	222 Å²	222	133.9 Å²	133.9	84%	0.841	69%	0.694	S	S	*	*	H	α-helix	trans	-81.6	-22.9	172.3	-88.2	78.3	0	0	0	113.1	I12	I12-W16 PolarHBondContact O-N 3.07Å
17	T	43.7	Very low	44	Very low	86 Å²	86	130.6 Å²	130.6	53%	0.528	68%	0.684	S	S	.	*	H	α-helix	trans	-94.1	-17.9	-179.9	50	0	0	0	0	113.6	W13 L14	W13-T17 HydrophobicContact CE3-CG2 4.22Å; W13-T17 HydrophobicContact CZ3-CG2 4.27Å; W13-T17 WeakPolarHBondContact O-CG2 3.44Å; W13-T17 PolarHBondContact O-N 3.13Å; W13-T17 PolarHBondContact O-OG1 3.48Å; L14-T17 WeakPolarHBondContact CA-OG1 3.41Å; L14-T17 PolarHBondContact O-N 3.23Å; L14-T17 PolarHBondContact O-OG1 2.9Å
18	L	41.4	Very low	44.2	Very low	142 Å²	142	126.1 Å²	126.1	74%	0.743	67%	0.668	S	S	*	*	S	Bend	trans	-106.5	20.7	172.3	-99.6	92	0	0	0	114.1	L14 T20	L14-L18 PolarHBondContact O-N 3.25Å; L18-T20 PolarHBondContact O-N 3.39Å; L18-T20 VanDerWaalsContact O-N 3.11Å
19	G	35.1	Very low	44.1	Very low	50 Å²	50	127.1 Å²	127.1	52%	0.515	67%	0.674	S	S	.	*	S	Bend	trans	-67.2	106.9	167.6	0	0	0	0	0	110.1	R21	G19-R21 PolarHBondContact O-N 2.7Å
20	T	41.1	Very low	44.4	Very low	133 Å²	133	126.2 Å²	126.2	82%	0.816	67%	0.67	S	S	*	*			trans	14.7	101.3	159.4	53.6	0	0	0	0	114.7	L18 G22	L18-T20 PolarHBondContact O-N 3.39Å; L18-T20 VanDerWaalsContact O-N 3.11Å; T20-G22 PolarHBondContact O-N 3.37Å
21	R	34.8	Very low	44.3	Very low	255 Å²	255	126.3 Å²	126.3	96%	0.962	68%	0.677	S	S	*	*			trans	-65.8	70.9	157.9	-151.8	177.7	-166.9	-178.3	4.2	107.5	G19 S23	G19-R21 PolarHBondContact O-N 2.7Å; R21-S23 PolarHBondContact O-N 3.28Å
22	G	33.3	Very low	44.5	Very low	54 Å²	54	124.5 Å²	124.5	56%	0.557	67%	0.673	S	S	*	*			trans	-55.7	124.4	162.6	0	0	0	0	0	105.8	T20 E24	T20-G22 PolarHBondContact O-N 3.37Å; G22-E24 PolarHBondContact O-N 2.86Å
23	S	40	Very low	45.3	Very low	116 Å²	116	121.9 Å²	121.9	81%	0.811	66%	0.66	S	S	*	*			trans	-51.9	103.3	172.8	47.8	0	0	0	0	108.6	R21	R21-S23 PolarHBondContact O-N 3.28Å
24	E	35.5	Very low	46.6	Very low	169 Å²	169	119.5 Å²	119.5	79%	0.79	66%	0.659	S	S	*	*			trans	-51.4	136.4	164.2	-75.2	177.5	151.7	0	0	107.6	G22 R26	G22-E24 PolarHBondContact O-N 2.86Å; E24-R26 PolarHBondContact O-N 3.18Å
25	P	42.4	Very low	48.5	Very low	129 Å²	129	118.5 Å²	118.5	84%	0.838	66%	0.661	S	S	*	*			trans	-60.9	106.6	171.8	25	-29.7	0	0	0	107	S27	P25-S27 PolarHBondContact O-N 3.07Å
26	R	49.3	Very low	50.3	Low	207 Å²	207	117.3 Å²	117.3	78%	0.781	65%	0.645	S	S	*	*			trans	-50.7	119.9	178.8	-78.3	-179.1	173.6	166.7	-2.4	108.3	E24 V28	E24-R26 PolarHBondContact O-N 3.18Å; R26-V28 PolarHBondContact O-N 3.44Å
27	S	47.5	Very low	52.4	Low	81 Å²	81	108.4 Å²	108.4	57%	0.566	62%	0.615	S	S	*	*			trans	-53.7	134	177.2	172	0	0	0	0	110	P25 N29 D30	P25-S27 PolarHBondContact O-N 3.07Å; S27-N29 PolarHBondContact O-N 2.83Å; S27-D30 PolarHBondContact O-N 2.86Å
28	V	53.7	Low	54.5	Low	79 Å²	79	111 Å²	111	48%	0.479	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.2	-18.1	-172.5	171	0	0	0	0	113.7	R26 N33 L104	R26-V28 PolarHBondContact O-N 3.44Å; V28-N33 PolarHBondContact O-ND2 3.32Å; V28-L104 HydrophobicContact CG1-CD1 3.81Å
29	N	48.6	Very low	56.7	Low	149 Å²	149	110.6 Å²	110.6	80%	0.797	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	13.6	-172.4	-68.5	-15.5	0	0	0	115.3	S27	S27-N29 PolarHBondContact O-N 2.83Å
30	D	55.8	Low	59.2	Low	99 Å²	99	109 Å²	109	53%	0.529	59%	0.594	S	S	.	*			trans	-80.9	135	-178.2	-135.7	-8.8	0	0	0	112	S27 G32 N33	S27-D30 PolarHBondContact O-N 2.86Å; D30-G32 PolarHBondContact O-N 2.81Å; D30-N33 WeakPolarHBondContact O-CB 3.34Å; D30-N33 PolarHBondContact O-N 2.83Å
31	P	49.7	Very low	61.4	Low	113 Å²	113	103.7 Å²	103.7	73%	0.734	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-19.1	178.4	-23.9	33.4	0	0	0	114.7	N33	P31-N33 PolarHBondContact O-N 3.12Å
32	G	54.1	Low	64.1	Low	43 Å²	43	95.6 Å²	95.6	44%	0.443	54%	0.537	S	S	.	.	H	α-helix	trans	-68.7	-8.4	171.8	0	0	0	0	0	114.6	D30 S35 F36	D30-G32 PolarHBondContact O-N 2.81Å; G32-S35 PolarHBondContact O-OG 3.27Å; G32-F36 PolarHBondContact O-N 3.01Å
33	N	68.8	Low	66.8	Low	45 Å²	45	101 Å²	101	24%	0.241	55%	0.545	C	S	.	.	H	α-helix	trans	-76.1	-28.6	178.7	-139.5	2.2	0	0	0	111.6	V28 D30 P31 F36 V37	V28-N33 PolarHBondContact O-ND2 3.32Å; D30-N33 WeakPolarHBondContact O-CB 3.34Å; D30-N33 PolarHBondContact O-N 2.83Å; P31-N33 PolarHBondContact O-N 3.12Å; N33-F36 PolarHBondContact O-N 3.34Å; N33-V37 WeakPolarHBondContact O-CB 3.45Å; N33-V37 WeakPolarHBondContact O-CG2 3.42Å; N33-V37 PolarHBondContact O-N 3.11Å
34	M	75.1	Confident	69.2	Low	149 Å²	149	96.6 Å²	96.6	73%	0.734	51%	0.512	S	S	*	.	H	α-helix	trans	-70.9	-42.5	-178.7	-166.4	69.1	71.3	0	0	112.7	F36 V37 K38	M34-F36 VanDerWaalsContact C-N 3.34Å; M34-V37 PolarHBondContact O-N 3.23Å; M34-K38 WeakPolarHBondContact O-CB 3.29Å; M34-K38 PolarHBondContact O-N 3.27Å
35	S	81.8	Confident	71.7	Confident	81 Å²	81	90.4 Å²	90.4	57%	0.566	48%	0.484	S	S	*	.	H	α-helix	trans	-66	-38.8	175.1	51.8	0	0	0	0	111.4	G32 K38 E39	G32-S35 PolarHBondContact O-OG 3.27Å; S35-K38 PolarHBondContact O-N 3.36Å; S35-E39 WeakPolarHBondContact O-CB 3.02Å; S35-E39 PolarHBondContact O-N 2.7Å
36	F	84	Confident	74.1	Confident	62 Å²	62	93 Å²	93	27%	0.272	48%	0.482	S	S	.	.	H	α-helix	trans	-66.3	-41	175.3	-175.7	-114.1	0	0	0	112.8	G32 N33 M34 E39 T40 I102	G32-F36 PolarHBondContact O-N 3.01Å; N33-F36 PolarHBondContact O-N 3.34Å; M34-F36 VanDerWaalsContact C-N 3.34Å; F36-E39 PolarHBondContact O-N 3.04Å; F36-T40 WeakPolarHBondContact O-CB 3.46Å; F36-T40 PolarHBondContact O-N 3.34Å; F36-T40 PolarHBondContact O-OG1 2.91Å; F36-I102 HydrophobicContact CD1-CD1 3.92Å; F36-I102 HydrophobicContact CD1-CG1 3.83Å; F36-I102 HydrophobicContact CE1-CD1 3.98Å; F36-I102 HydrophobicContact CE1-CG1 3.54Å
37	V	84.6	Confident	75.9	Confident	35 Å²	35	87 Å²	87	21%	0.212	49%	0.485	C	S	.	.	H	α-helix	trans	-61.1	-46.3	172.8	169.6	0	0	0	0	110.2	N33 M34 T40 V41 I102 L106	N33-V37 WeakPolarHBondContact O-CB 3.45Å; N33-V37 WeakPolarHBondContact O-CG2 3.42Å; N33-V37 PolarHBondContact O-N 3.11Å; M34-V37 PolarHBondContact O-N 3.23Å; V37-T40 WeakPolarHBondContact O-CB 3.5Å; V37-T40 PolarHBondContact O-N 3.44Å; V37-V41 HydrophobicContact CG1-CG2 4.45Å; V37-V41 WeakPolarHBondContact O-CG2 3.36Å; V37-V41 PolarHBondContact O-N 3.31Å; V37-I102 HydrophobicContact CB-CD1 4.43Å; V37-I102 HydrophobicContact CG2-CD1 3.71Å; V37-L106 HydrophobicContact CG1-CD2 3.87Å; V37-L106 HydrophobicContact CG2-CD2 4.28Å
38	K	87.2	Confident	78.1	Confident	141 Å²	141	84.5 Å²	84.5	61%	0.613	46%	0.463	S	S	*	.	H	α-helix	trans	-58.9	-50.9	177.3	-177.3	-174.9	173.9	-173.7	0	111.5	M34 S35 T40 V41 D42	M34-K38 WeakPolarHBondContact O-CB 3.29Å; M34-K38 PolarHBondContact O-N 3.27Å; S35-K38 PolarHBondContact O-N 3.36Å; K38-T40 VanDerWaalsContact C-N 3.26Å; K38-T40 PolarHBondContact O-N 3.16Å; K38-V41 PolarHBondContact O-N 3.3Å; K38-D42 WeakPolarHBondContact O-CB 3.17Å; K38-D42 PolarHBondContact O-N 2.73Å
39	E	88.7	Confident	79.9	Confident	133 Å²	133	83 Å²	83	62%	0.621	45%	0.452	S	S	*	.	H	α-helix	trans	-59.7	-38.7	178.4	-173.2	-179.8	178	0	0	111.8	S35 F36 K43	S35-E39 WeakPolarHBondContact O-CB 3.02Å; S35-E39 PolarHBondContact O-N 2.7Å; F36-E39 PolarHBondContact O-N 3.04Å; E39-K43 VanDerWaalsContact O-CB 3.25Å; E39-K43 WeakPolarHBondContact O-CB 3.49Å; E39-K43 PolarHBondContact O-N 2.96Å
40	T	87.9	Confident	82	Confident	17 Å²	17	79.7 Å²	79.7	10%	0.104	43%	0.434	C	S	.	.	H	α-helix	trans	-62.8	-49.1	175.5	-57.9	0	0	0	0	111	F36 V37 K38 K43 L44 Y99	F36-T40 WeakPolarHBondContact O-CB 3.46Å; F36-T40 PolarHBondContact O-N 3.34Å; F36-T40 PolarHBondContact O-OG1 2.91Å; V37-T40 WeakPolarHBondContact O-CB 3.5Å; V37-T40 PolarHBondContact O-N 3.44Å; K38-T40 VanDerWaalsContact C-N 3.26Å; K38-T40 PolarHBondContact O-N 3.16Å; T40-K43 WeakPolarHBondContact O-CB 3.33Å; T40-K43 PolarHBondContact O-N 3.46Å; T40-L44 HydrophobicContact CG2-CD1 4.36Å; T40-L44 VanDerWaalsContact O-CG 3.3Å; T40-L44 WeakPolarHBondContact O-CG 3.4Å; T40-L44 PolarHBondContact O-N 2.9Å; T40-Y99 HydrophobicContact CG2-CG 4.3Å
41	V	87.9	Confident	83.8	Confident	20 Å²	20	84.2 Å²	84.2	12%	0.121	44%	0.444	C	S	.	.	H	α-helix	trans	-63.4	-45.1	179.1	173.8	0	0	0	0	111.3	V37 K38 K43 L44 L45 L106 L108	V37-V41 HydrophobicContact CG1-CG2 4.45Å; V37-V41 WeakPolarHBondContact O-CG2 3.36Å; V37-V41 PolarHBondContact O-N 3.31Å; K38-V41 PolarHBondContact O-N 3.3Å; V41-K43 VanDerWaalsContact C-N 3.26Å; V41-K43 PolarHBondContact O-N 2.79Å; V41-L44 PolarHBondContact O-N 2.9Å; V41-L44 VanDerWaalsContact O-N 3.15Å; V41-L45 HydrophobicContact CG1-CD1 3.96Å; V41-L45 HydrophobicContact CG1-CG 4.48Å; V41-L45 WeakPolarHBondContact O-CG 3.27Å; V41-L45 PolarHBondContact O-N 3.4Å; V41-L106 HydrophobicContact CG2-CD1 4.39Å; V41-L108 HydrophobicContact CG2-CD2 4.09Å
42	D	89.8	Confident	85.8	Confident	86 Å²	86	82.4 Å²	82.4	46%	0.46	43%	0.427	S	S	.	.	H	α-helix	trans	-60.8	-37.7	177.5	-71.8	-20.2	0	0	0	111.2	K38 K46	K38-D42 WeakPolarHBondContact O-CB 3.17Å; K38-D42 PolarHBondContact O-N 2.73Å; D42-K46 WeakPolarHBondContact O-CB 3.4Å; D42-K46 PolarHBondContact O-N 3.11Å; D42-K46 VanDerWaalsContact O-N 3.08Å
43	K	90.3	Very high	87.8	Confident	166 Å²	166	81 Å²	81	72%	0.722	41%	0.409	S	S	*	.	H	α-helix	trans	-67.6	-39.2	175.1	-175.1	179.6	178.9	-178.3	0	112.7	E39 T40 V41 L45 K46	E39-K43 VanDerWaalsContact O-CB 3.25Å; E39-K43 WeakPolarHBondContact O-CB 3.49Å; E39-K43 PolarHBondContact O-N 2.96Å; T40-K43 WeakPolarHBondContact O-CB 3.33Å; T40-K43 PolarHBondContact O-N 3.46Å; V41-K43 VanDerWaalsContact C-N 3.26Å; V41-K43 PolarHBondContact O-N 2.79Å; K43-L45 VanDerWaalsContact C-N 3.34Å; K43-K46 PolarHBondContact O-N 3.01Å
44	L	89.9	Confident	89	Confident	25 Å²	25	78.9 Å²	78.9	13%	0.131	40%	0.397	C	S	.	.	H	α-helix	trans	-66	-37.2	177.5	-69.7	174.7	0	0	0	112	T40 V41 Y99 L143	T40-L44 HydrophobicContact CG2-CD1 4.36Å; T40-L44 VanDerWaalsContact O-CG 3.3Å; T40-L44 WeakPolarHBondContact O-CG 3.4Å; T40-L44 PolarHBondContact O-N 2.9Å; V41-L44 PolarHBondContact O-N 2.9Å; V41-L44 VanDerWaalsContact O-N 3.15Å; L44-Y99 HydrophobicContact CD1-CD1 4.07Å; L44-Y99 HydrophobicContact CD1-CG 4.49Å; L44-L143 HydrophobicContact CD1-CD1 4.48Å
45	L	89.8	Confident	89.8	Confident	39 Å²	39	74.6 Å²	74.6	20%	0.204	38%	0.377	C	S	.	.	H	α-helix	trans	-80.1	-21.9	179.9	-64	174.3	0	0	0	112.7	V41 K43 G47 Y48 V112 Q115 L116	V41-L45 HydrophobicContact CG1-CD1 3.96Å; V41-L45 HydrophobicContact CG1-CG 4.48Å; V41-L45 WeakPolarHBondContact O-CG 3.27Å; V41-L45 PolarHBondContact O-N 3.4Å; K43-L45 VanDerWaalsContact C-N 3.34Å; L45-G47 PolarHBondContact O-N 3.24Å; L45-G47 VanDerWaalsContact O-N 3.09Å; L45-Y48 PolarHBondContact O-N 3.36Å; L45-V112 HydrophobicContact CD1-CG1 4.25Å; L45-V112 HydrophobicContact CD2-CG1 4.27Å; L45-Q115 HydrophobicContact CD2-CB 4.46Å; L45-L116 HydrophobicContact CD2-CD2 3.91Å
46	K	91.1	Very high	90.4	Very high	182 Å²	182	77.7 Å²	77.7	79%	0.791	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	108.8	-179.8	-171.9	176.7	-178.3	178.8	0	111.3	D42 K43	D42-K46 WeakPolarHBondContact O-CB 3.4Å; D42-K46 PolarHBondContact O-N 3.11Å; D42-K46 VanDerWaalsContact O-N 3.08Å; K43-K46 PolarHBondContact O-N 3.01Å
47	G	87.9	Confident	90.7	Very high	81 Å²	81	78.3 Å²	78.3	84%	0.835	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	10	179.7	0	0	0	0	0	114.1	L45 D49	L45-G47 PolarHBondContact O-N 3.24Å; L45-G47 VanDerWaalsContact O-N 3.09Å; G47-D49 PolarHBondContact O-N 2.8Å
48	Y	93.3	Very high	91.1	Very high	30 Å²	30	78.4 Å²	78.4	12%	0.118	41%	0.413	C	S	.	.			trans	-73.3	120.9	172.3	-171.5	-92.1	0	0	0	110.5	L45 I50 D94 R96 L97 L116 W117	L45-Y48 PolarHBondContact O-N 3.36Å; Y48-I50 HydrophobicContact CD1-CG2 3.83Å; Y48-I50 HydrophobicContact CE1-CG2 3.87Å; Y48-D94 WeakPolarHBondContact CE2-OD2 3.33Å; Y48-D94 PolarHBondContact OH-OD2 2.93Å; Y48-R96 HydrophobicContact CD2-CB 4.14Å; Y48-R96 HydrophobicContact CE2-CB 4.08Å; Y48-R96 PolarHBondContact OH-NH2 3.17Å; Y48-R96 VanDerWaalsContact OH-NH2 3.12Å; Y48-L97 HydrophobicContact CD2-CD2 3.94Å; Y48-L97 HydrophobicContact CE2-CD1 4.3Å; Y48-L97 HydrophobicContact CE2-CD2 3.79Å; Y48-L97 HydrophobicContact CE2-CG 3.93Å; Y48-L116 HydrophobicContact CD1-CD2 4.36Å; Y48-L116 HydrophobicContact CE1-CD2 4.04Å; Y48-W117 HydrophobicContact CE1-CB 4.39Å; Y48-W117 WeakPolarHBondContact OH-CB 3.38Å; Y48-W117 PolarHBondContact OH-N 3.18Å
49	D	92.4	Very high	91.5	Very high	47 Å²	47	75.5 Å²	75.5	25%	0.251	41%	0.408	S	S	.	.			trans	-98.1	111.4	173.4	-164.1	-20.6	0	0	0	110.5	G47 R51 R96	G47-D49 PolarHBondContact O-N 2.8Å; D49-R51 PolarHBondContact O-N 3.36Å; D49-R51 WeakPolarHBondContact OD1-CB 3.14Å; D49-R51 WeakPolarHBondContact OD1-CG 3.16Å; D49-R51 IonicContact OD1-CZ 3.4Å; D49-R51 PolarHBondContact OD1-N 2.97Å; D49-R51 IonicContact OD1-NE 2.74Å; D49-R51 PolarHBondContact OD1-NE 3.04Å; D49-R51 IonicContact OD1-NH2 2.86Å; D49-R51 IonicContact OD2-CZ 2.93Å; D49-R51 IonicContact OD2-NE 3.87Å; D49-R51 PolarHBondContact OD2-NE 3.29Å; D49-R51 IonicContact OD2-NH2 3.32Å; D49-R51 PolarHBondContact OD2-NH2 3.15Å; D49-R96 PolarHBondContact O-NH1 2.89Å; D49-R96 VanDerWaalsContact O-NH1 3.09Å
50	I	92.9	Very high	91.9	Very high	79 Å²	79	71.1 Å²	71.1	41%	0.405	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-18.9	179.7	65.7	173.9	0	0	0	113.4	Y48 L52 Q115 W117	Y48-I50 HydrophobicContact CD1-CG2 3.83Å; Y48-I50 HydrophobicContact CE1-CG2 3.87Å; I50-L52 VanDerWaalsContact C-N 3.29Å; I50-Q115 WeakPolarHBondContact CG2-O 3.45Å; I50-W117 VanDerWaalsContact O-CD1 3.31Å
51	R	91.8	Very high	92.3	Very high	195 Å²	195	70.6 Å²	70.6	74%	0.736	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-17.7	-173.7	-60.3	170.9	-65.7	175.5	4.2	112.3	D49	D49-R51 PolarHBondContact O-N 3.36Å; D49-R51 WeakPolarHBondContact OD1-CB 3.14Å; D49-R51 WeakPolarHBondContact OD1-CG 3.16Å; D49-R51 IonicContact OD1-CZ 3.4Å; D49-R51 PolarHBondContact OD1-N 2.97Å; D49-R51 IonicContact OD1-NE 2.74Å; D49-R51 PolarHBondContact OD1-NE 3.04Å; D49-R51 IonicContact OD1-NH2 2.86Å; D49-R51 IonicContact OD2-CZ 2.93Å; D49-R51 IonicContact OD2-NE 3.87Å; D49-R51 PolarHBondContact OD2-NE 3.29Å; D49-R51 IonicContact OD2-NH2 3.32Å; D49-R51 PolarHBondContact OD2-NH2 3.15Å
52	L	93.2	Very high	92.7	Very high	75 Å²	75	72.8 Å²	72.8	39%	0.393	40%	0.403	S	S	.	.	S	Bend	trans	-105.4	130.9	-177.1	-62.2	174.9	0	0	0	110	I50 F56 R96	I50-L52 VanDerWaalsContact C-N 3.29Å; L52-F56 HydrophobicContact CD2-CD2 4.45Å; L52-F56 HydrophobicContact CD2-CG 4.46Å; L52-R96 PolarHBondContact O-NH1 2.81Å; L52-R96 PolarHBondContact O-NH2 2.83Å
53	R	94.7	Very high	93.1	Very high	13 Å²	13	68.7 Å²	68.7	5%	0.049	38%	0.382	C	S	.	.			trans	-60.6	150.2	171.2	71.2	173.2	176.3	107.2	-4.2	110.8	F56 P59 W117 Y184 D187 D188	R53-F56 HydrophobicContact CG-CB 4.39Å; R53-F56 HydrophobicContact CG-CD2 4.21Å; R53-F56 PolarHBondContact O-N 2.8Å; R53-P59 PolarHBondContact NH1-O 3.48Å; R53-P59 VanDerWaalsContact NH1-O 3.11Å; R53-W117 HydrophobicContact CB-CZ2 3.75Å; R53-Y184 HydrophobicContact CB-CE1 4.2Å; R53-Y184 HydrophobicContact CG-CE1 4.47Å; R53-D187 PolarHBondContact NH2-O 3.45Å; R53-D188 IonicContact CZ-OD1 2.81Å; R53-D188 IonicContact NE-OD1 3.05Å; R53-D188 PolarHBondContact NE-OD1 2.76Å; R53-D188 PolarHBondContact NH1-O 2.83Å; R53-D188 IonicContact NH2-OD1 2.83Å; R53-D188 PolarHBondContact NH2-OD1 3.39Å
54	P	95.2	Very high	93.4	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	143.8	169.1	-22.2	31.2	0	0	0	110.8	F56 V61 D94 W117	P54-F56 VanDerWaalsContact C-N 3.25Å; P54-F56 PolarHBondContact O-N 2.88Å; P54-V61 HydrophobicContact CB-CG2 4.01Å; P54-V61 HydrophobicContact CG-CG2 4.38Å; P54-V61 WeakPolarHBondContact O-CG2 3.47Å; P54-D94 HydrophobicContact CB-CB 4.25Å; P54-D94 HydrophobicContact CG-CB 4.01Å; P54-W117 VanDerWaalsContact CD-CE3 3.41Å; P54-W117 HydrophobicContact CG-CD2 4.33Å; P54-W117 HydrophobicContact CG-CE3 3.78Å; P54-W117 HydrophobicContact CG-CZ3 3.95Å
55	D	92.7	Very high	93.7	Very high	59 Å²	59	59.6 Å²	59.6	32%	0.316	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	36.3	-179.7	-64.8	-36.6	0	0	0	114	G57 G58 K95	D55-G57 PolarHBondContact O-N 3.16Å; D55-G58 WeakPolarHBondContact O-CA 3.3Å; D55-G58 PolarHBondContact O-N 2.85Å; D55-K95 IonicContact OD1-NZ 3.86Å; D55-K95 PolarHBondContact OD1-NZ 3.18Å; D55-K95 IonicContact OD2-NZ 2.79Å; D55-K95 PolarHBondContact OD2-NZ 3.37Å
56	F	92.7	Very high	94	Very high	146 Å²	146	59.1 Å²	59.1	64%	0.64	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	127.6	175.7	-176.2	-95.7	0	0	0	112.1	L52 R53 P54 G58	L52-F56 HydrophobicContact CD2-CD2 4.45Å; L52-F56 HydrophobicContact CD2-CG 4.46Å; R53-F56 HydrophobicContact CG-CB 4.39Å; R53-F56 HydrophobicContact CG-CD2 4.21Å; R53-F56 PolarHBondContact O-N 2.8Å; P54-F56 VanDerWaalsContact C-N 3.25Å; P54-F56 PolarHBondContact O-N 2.88Å; F56-G58 VanDerWaalsContact C-N 3.27Å
57	G	90.6	Very high	94.3	Very high	75 Å²	75	50.4 Å²	50.4	77%	0.773	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	1.1	-173.1	0	0	0	0	0	114.7	D55	D55-G57 PolarHBondContact O-N 3.16Å
58	G	93.3	Very high	94.7	Very high	37 Å²	37	48.3 Å²	48.3	38%	0.381	27%	0.27	S	S	.	.	S	Bend	trans	-111.9	-154.6	175.1	0	0	0	0	0	112.7	D55 F56	D55-G58 WeakPolarHBondContact O-CA 3.3Å; D55-G58 PolarHBondContact O-N 2.85Å; F56-G58 VanDerWaalsContact C-N 3.27Å
59	P	95.8	Very high	94.8	Very high	81 Å²	81	47 Å²	47	53%	0.526	27%	0.265	S	S	.	.	S	Bend	trans	-64.2	161.7	-179	27.9	-34.7	0	0	0	112.7	R53	R53-P59 PolarHBondContact NH1-O 3.48Å; R53-P59 VanDerWaalsContact NH1-O 3.11Å
60	P	96.2	Very high	94.9	Very high	40 Å²	40	46.6 Å²	46.6	26%	0.26	27%	0.269	S	S	.	.			trans	-63.1	146	174.4	26.2	-33.7	0	0	0	111.3	C62 D188 E190	P60-C62 PolarHBondContact O-N 2.78Å; P60-D188 WeakPolarHBondContact CA-O 3.25Å; P60-E190 HydrophobicContact CB-CG 4.13Å; P60-E190 HydrophobicContact CG-CG 4.16Å
61	V	96.9	Very high	95	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.042	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	115.8	176.5	-179.1	0	0	0	0	108.6	P54 V63 W92 D188 I189 E190	P54-V61 HydrophobicContact CB-CG2 4.01Å; P54-V61 HydrophobicContact CG-CG2 4.38Å; P54-V61 WeakPolarHBondContact O-CG2 3.47Å; V61-V63 HydrophobicContact CG1-CG2 4.26Å; V61-V63 PolarHBondContact O-N 3.04Å; V61-W92 HydrophobicContact CG1-CB 4Å; V61-D188 PolarHBondContact N-O 2.66Å; V61-I189 HydrophobicContact CB-CG1 4.47Å; V61-I189 WeakPolarHBondContact O-CA 3.4Å; V61-E190 PolarHBondContact O-N 2.95Å
62	C	96.7	Very high	95	Very high	65 Å²	65	35.7 Å²	35.7	44%	0.439	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	117	174.8	-50.5	0	0	0	0	110	P60 Y192	P60-C62 PolarHBondContact O-N 2.78Å; C62-Y192 HydrophobicContact CB-CD1 4.35Å; C62-Y192 HydrophobicContact CB-CE1 3.81Å
63	V	97.7	Very high	94.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	109.2	177	-175.8	0	0	0	0	109.4	V61 M65 Q90 Y91 W92 P119 I189 E190 F191 Y192	V61-V63 HydrophobicContact CG1-CG2 4.26Å; V61-V63 PolarHBondContact O-N 3.04Å; V63-M65 HydrophobicContact CG1-CE 4.39Å; V63-Q90 HydrophobicContact CG1-CB 4.24Å; V63-Y91 CarbonylContact C-O 3.55Å; V63-Y91 WeakPolarHBondContact CA-O 3.45Å; V63-W92 HydrophobicContact CG2-CB 4.13Å; V63-P119 HydrophobicContact CG1-CG 4.19Å; V63-P119 HydrophobicContact CG2-CB 4.28Å; V63-P119 HydrophobicContact CG2-CG 4.41Å; V63-I189 HydrophobicContact CB-CG2 4.49Å; V63-I189 HydrophobicContact CG2-CG2 3.82Å; V63-E190 PolarHBondContact N-O 3.47Å; V63-F191 HydrophobicContact CB-CD1 3.81Å; V63-F191 HydrophobicContact CB-CE1 3.91Å; V63-F191 HydrophobicContact CG1-CD1 4.43Å; V63-F191 HydrophobicContact CG1-CE1 4.28Å; V63-F191 HydrophobicContact CG2-CD1 4.41Å; V63-F191 HydrophobicContact CG2-CE1 4.18Å; V63-Y192 VanDerWaalsContact C-CE1 3.5Å; V63-Y192 WeakPolarHBondContact O-CD1 3.08Å; V63-Y192 PolarHBondContact O-N 2.97Å
64	G	97.1	Very high	94.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	130.8	175.1	0	0	0	0	0	111.2	Q90 Y91 Y192	G64-Q90 CarbonylContact O-C 3.57Å; G64-Q90 WeakPolarHBondContact O-CA 3.3Å; G64-Y91 PolarHBondContact N-O 3.15Å; G64-Y91 PolarHBondContact O-N 2.96Å; G64-Y192 CarbonylContact C-O 3.58Å; G64-Y192 VanDerWaalsContact CA-CE1 3.45Å; G64-Y192 WeakPolarHBondContact CA-O 3.43Å; G64-Y192 VanDerWaalsContact N-CE1 3.27Å
65	M	96.4	Very high	94.4	Very high	0 Å²	0	42 Å²	42	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	141.4	179.9	-60.4	-170.5	-178.6	0	0	111.7	V63 F88 Q89 T121 I179 F191 Y192 W193 R194 L233	V63-M65 HydrophobicContact CG1-CE 4.39Å; M65-F88 HydrophobicContact CE-CZ 4.38Å; M65-F88 HydrophobicContact CG-CZ 4.43Å; M65-F88 HydrophobicContact SD-CE2 4.14Å; M65-F88 HydrophobicContact SD-CZ 3.71Å; M65-Q89 WeakPolarHBondContact CA-O 3.5Å; M65-T121 HydrophobicContact CE-CG2 3.59Å; M65-T121 HydrophobicContact SD-CG2 4.41Å; M65-I179 HydrophobicContact CE-CG2 3.95Å; M65-I179 HydrophobicContact SD-CD1 4.4Å; M65-I179 HydrophobicContact SD-CG2 3.73Å; M65-F191 HydrophobicContact CE-CB 4.39Å; M65-F191 HydrophobicContact CE-CD1 3.61Å; M65-F191 HydrophobicContact CE-CD2 3.6Å; M65-F191 HydrophobicContact CE-CE1 3.51Å; M65-F191 HydrophobicContact CE-CE2 3.51Å; M65-F191 HydrophobicContact CE-CG 3.63Å; M65-F191 HydrophobicContact CE-CZ 3.47Å; M65-F191 VanDerWaalsContact CE-CZ 3.47Å; M65-Y192 PolarHBondContact N-O 2.75Å; M65-W193 HydrophobicContact CB-CE3 4.46Å; M65-W193 HydrophobicContact CB-CZ3 4.49Å; M65-R194 PolarHBondContact O-N 3.25Å; M65-L233 HydrophobicContact CB-CD1 4.06Å; M65-L233 HydrophobicContact CG-CD1 4.05Å; M65-L233 HydrophobicContact SD-CD1 3.67Å
66	N	96.2	Very high	94.4	Very high	29 Å²	29	39.9 Å²	39.9	16%	0.155	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	138.9	173.8	-177.7	39.1	0	0	0	108.8	Q89 Y91 A199	N66-Q89 HydrophobicContact CB-CB 4.19Å; N66-Q89 PolarHBondContact N-O 3.45Å; N66-Q89 PolarHBondContact ND2-OE1 2.93Å; N66-Q89 WeakPolarHBondContact O-CB 3.4Å; N66-Q89 PolarHBondContact O-N 2.85Å; N66-Y91 HydrophobicContact CB-CE2 4.15Å; N66-A199 WeakPolarHBondContact CA-O 3.43Å; N66-A199 VanDerWaalsContact OD1-C 3.27Å; N66-A199 PolarHBondContact OD1-O 2.75Å
67	I	96.5	Very high	94.4	Very high	0 Å²	0	34 Å²	34	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	122.8	-176.1	-56.2	-176.6	0	0	0	109.3	I69 M86 F88 L177 I179 W193 A199 V200 T201 L235	I67-I69 HydrophobicContact CG2-CG1 4.16Å; I67-M86 HydrophobicContact CD1-SD 4.31Å; I67-M86 HydrophobicContact CG2-CB 3.94Å; I67-M86 HydrophobicContact CG2-CG 4.28Å; I67-M86 HydrophobicContact CG2-SD 3.53Å; I67-M86 VanDerWaalsContact CG2-SD 3.53Å; I67-F88 HydrophobicContact CD1-CD2 4.11Å; I67-F88 HydrophobicContact CD1-CE2 4.11Å; I67-F88 HydrophobicContact CG1-CD2 3.88Å; I67-F88 HydrophobicContact CG1-CE2 4.13Å; I67-L177 HydrophobicContact CD1-CD2 4.44Å; I67-I179 HydrophobicContact CD1-CD1 3.87Å; I67-W193 HydrophobicContact CD1-CH2 3.78Å; I67-W193 HydrophobicContact CD1-CZ3 3.7Å; I67-W193 HydrophobicContact CG1-CZ3 4Å; I67-A199 PolarHBondContact N-O 2.83Å; I67-V200 HydrophobicContact CB-CG2 4.29Å; I67-V200 CarbonylContact O-C 3.54Å; I67-V200 VanDerWaalsContact O-CA 3.26Å; I67-V200 WeakPolarHBondContact O-CA 3.45Å; I67-T201 PolarHBondContact O-N 3.45Å; I67-L235 HydrophobicContact CD1-CD2 4.32Å
68	D	95.8	Very high	94.4	Very high	36 Å²	36	34.3 Å²	34.3	19%	0.193	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	115	166.7	-175.4	50.2	0	0	0	109.3	A70 M86 Y87 T201 G202 R205	D68-A70 PolarHBondContact O-N 3.04Å; D68-M86 CarbonylContact O-C 3.55Å; D68-M86 VanDerWaalsContact O-CA 3.31Å; D68-M86 WeakPolarHBondContact O-CA 3.21Å; D68-M86 WeakPolarHBondContact O-CB 3.17Å; D68-Y87 HydrophobicContact CB-CD2 4.37Å; D68-Y87 PolarHBondContact N-O 3.34Å; D68-Y87 PolarHBondContact O-N 3.09Å; D68-T201 WeakPolarHBondContact CB-OG1 3.31Å; D68-T201 WeakPolarHBondContact OD1-CB 3.24Å; D68-T201 PolarHBondContact OD1-OG1 2.86Å; D68-G202 PolarHBondContact OD1-N 2.66Å; D68-R205 IonicContact OD1-NH2 3.13Å
69	I	95.9	Very high	94.4	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	120.2	-178.6	-48.3	-171.7	0	0	0	108.5	I67 I72 V200 T201 V203 I206 L235 F237	I67-I69 HydrophobicContact CG2-CG1 4.16Å; I69-I72 HydrophobicContact CG2-CG1 4.46Å; I69-V200 HydrophobicContact CD1-CG1 3.99Å; I69-V200 HydrophobicContact CG1-CG1 4.1Å; I69-T201 PolarHBondContact N-O 2.98Å; I69-V203 HydrophobicContact CD1-CG2 3.89Å; I69-V203 HydrophobicContact CG1-CG2 4.44Å; I69-I206 HydrophobicContact CB-CD1 3.81Å; I69-I206 HydrophobicContact CG2-CD1 3.34Å; I69-L235 HydrophobicContact CD1-CD2 4.41Å; I69-F237 HydrophobicContact CD1-CE1 3.36Å; I69-F237 HydrophobicContact CD1-CZ 3.3Å
70	A	94.8	Very high	94.3	Very high	40 Å²	40	35 Å²	35	33%	0.331	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-45.2	177.2	0	0	0	0	0	111.1	D68 T85 Y87	D68-A70 PolarHBondContact O-N 3.04Å; A70-T85 HydrophobicContact CB-CG2 4.2Å; A70-T85 WeakPolarHBondContact CB-O 3.44Å; A70-T85 PolarHBondContact N-O 3.16Å; A70-Y87 HydrophobicContact CB-CD2 4.48Å; A70-Y87 HydrophobicContact CB-CE2 4.1Å
71	S	93.9	Very high	94.3	Very high	35 Å²	35	33.8 Å²	33.8	25%	0.245	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	155.6	178.8	55.7	0	0	0	0	111.6	D73 L84 T85	S71-D73 WeakPolarHBondContact CB-OD1 3.25Å; S71-D73 PolarHBondContact OG-OD1 3.32Å; S71-L84 WeakPolarHBondContact O-CA 3.21Å; S71-T85 PolarHBondContact N-O 3.4Å; S71-T85 VanDerWaalsContact N-O 3.15Å; S71-T85 PolarHBondContact O-N 2.9Å
72	I	93.7	Very high	94.2	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.051	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	111.8	159.9	-61.8	176.2	0	0	0	105.2	I69 V75 Y82 T83 L84 L208 I213	I69-I72 HydrophobicContact CG2-CG1 4.46Å; I72-V75 HydrophobicContact CG2-CG2 4.29Å; I72-Y82 HydrophobicContact CG2-CD2 4.39Å; I72-T83 CarbonylContact C-O 3.51Å; I72-L84 HydrophobicContact CG1-CB 4.35Å; I72-L208 HydrophobicContact CB-CD1 4.24Å; I72-L208 HydrophobicContact CB-CD2 3.92Å; I72-L208 HydrophobicContact CB-CG 4.41Å; I72-L208 HydrophobicContact CD1-CD1 4.3Å; I72-L208 HydrophobicContact CG2-CD1 4.25Å; I72-L208 HydrophobicContact CG2-CD2 3.88Å; I72-L208 WeakPolarHBondContact O-CD2 3.14Å; I72-I213 HydrophobicContact CD1-CD1 3.9Å
73	D	87.8	Confident	94.2	Very high	87 Å²	87	31.4 Å²	31.4	47%	0.465	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-44.3	-164	-60.7	-44.9	0	0	0	112	S71 T83 T85	S71-D73 WeakPolarHBondContact CB-OD1 3.25Å; S71-D73 PolarHBondContact OG-OD1 3.32Å; D73-T83 HydrophobicContact CB-CG2 4.29Å; D73-T83 PolarHBondContact N-O 3.4Å; D73-T85 PolarHBondContact OD2-OG1 2.71Å
74	M	87.8	Confident	94.1	Very high	120 Å²	120	31.5 Å²	31.5	59%	0.591	18%	0.178	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-148.9	137.3	-176.5	-173.8	-178.4	-61.3	0	0	110.3	Y82 T83	M74-Y82 CarbonylContact O-C 3.52Å; M74-Y82 VanDerWaalsContact O-CA 3.22Å; M74-Y82 WeakPolarHBondContact O-CA 3.47Å; M74-T83 PolarHBondContact O-N 2.8Å
75	V	93.6	Very high	94	Very high	13 Å²	13	31.9 Å²	31.9	8%	0.079	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120.3	166.7	-177.1	0	0	0	0	106.4	I72 M163 F211 L239	I72-V75 HydrophobicContact CG2-CG2 4.29Å; V75-M163 HydrophobicContact CG1-CE 4.3Å; V75-M163 HydrophobicContact CG1-SD 4.1Å; V75-F211 HydrophobicContact CB-CD2 4.15Å; V75-F211 HydrophobicContact CB-CE2 3.72Å; V75-F211 HydrophobicContact CB-CZ 4.37Å; V75-F211 HydrophobicContact CG1-CD2 4.46Å; V75-F211 HydrophobicContact CG1-CE2 3.76Å; V75-F211 HydrophobicContact CG1-CZ 3.89Å; V75-F211 HydrophobicContact CG2-CD2 4.12Å; V75-F211 HydrophobicContact CG2-CE2 4.19Å; V75-L239 HydrophobicContact CG2-CD1 4.33Å
76	S	93.4	Very high	94	Very high	14 Å²	14	31.9 Å²	31.9	10%	0.098	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	106.4	-177.1	-173.8	0	0	0	0	110.7	V78 N79 M80 D81 M163	S76-V78 PolarHBondContact O-N 3.46Å; S76-N79 PolarHBondContact OG-N 2.86Å; S76-N79 PolarHBondContact OG-ND2 2.98Å; S76-M80 WeakPolarHBondContact O-CA 3.35Å; S76-M80 PolarHBondContact O-N 3.27Å; S76-D81 WeakPolarHBondContact CB-OD1 3.48Å; S76-D81 PolarHBondContact N-O 3.27Å; S76-D81 PolarHBondContact O-N 2.95Å; S76-M163 WeakPolarHBondContact O-CE 3.4Å
77	E	91.5	Very high	94	Very high	23 Å²	23	35 Å²	35	11%	0.107	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-31.6	173	-58.1	83.6	175.5	0	0	111.5	M163 L165 R241 P298	E77-M163 HydrophobicContact CG-SD 4.37Å; E77-L165 HydrophobicContact CB-CD1 4.14Å; E77-L165 HydrophobicContact CG-CD2 4.41Å; E77-R241 IonicContact OE1-CZ 3.86Å; E77-R241 IonicContact OE1-NH1 2.66Å; E77-R241 PolarHBondContact OE1-NH1 2.92Å; E77-R241 IonicContact OE1-NH2 3.95Å; E77-R241 PolarHBondContact OE1-NH2 3.48Å; E77-R241 VanDerWaalsContact OE1-NH2 3.13Å; E77-P298 HydrophobicContact CB-CG 4.36Å; E77-P298 VanDerWaalsContact O-CG 3.27Å; E77-P298 WeakPolarHBondContact O-CG 3.29Å
78	V	91.3	Very high	94.1	Very high	81 Å²	81	35.2 Å²	35.2	49%	0.491	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-47.3	180	-178.5	0	0	0	0	110.9	S76	S76-V78 PolarHBondContact O-N 3.46Å
79	N	92.8	Very high	94.1	Very high	97 Å²	97	36 Å²	36	52%	0.519	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-9.5	-177.8	-62.5	-35.7	0	0	0	113.1	S76 D81 K127	S76-N79 PolarHBondContact OG-N 2.86Å; S76-N79 PolarHBondContact OG-ND2 2.98Å; N79-D81 VanDerWaalsContact CB-OD2 3.25Å; N79-D81 WeakPolarHBondContact CB-OD2 3.37Å; N79-K127 PolarHBondContact O-NZ 2.8Å
80	M	93.9	Very high	94.2	Very high	35 Å²	35	36.1 Å²	36.1	17%	0.172	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	50	-174	-59.9	-70.6	-176.8	0	0	111.7	S76 C161 M162 M163 L165 P298 I300	S76-M80 WeakPolarHBondContact O-CA 3.35Å; S76-M80 PolarHBondContact O-N 3.27Å; M80-C161 CarbonylContact C-O 3.55Å; M80-C161 VanDerWaalsContact C-O 3.22Å; M80-C161 WeakPolarHBondContact CA-O 3.35Å; M80-C161 CarbonylContact O-C 3.52Å; M80-C161 PolarHBondContact O-N 2.85Å; M80-C161 VanDerWaalsContact O-O 3.08Å; M80-M162 HydrophobicContact CB-SD 4.28Å; M80-M163 HydrophobicContact SD-CB 3.82Å; M80-M163 HydrophobicContact SD-CE 4.24Å; M80-L165 HydrophobicContact CE-CD1 4.21Å; M80-L165 HydrophobicContact CE-CG 4.48Å; M80-P298 HydrophobicContact CE-CG 4.37Å; M80-I300 HydrophobicContact CE-CD1 3.42Å; M80-I300 VanDerWaalsContact CE-CD1 3.42Å; M80-I300 HydrophobicContact CE-CG1 4.36Å
81	D	96.2	Very high	94.3	Very high	16 Å²	16	35.7 Å²	35.7	9%	0.086	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	166.9	176.9	52.5	43.3	0	0	0	112.6	S76 N79 K127 T158 A159	S76-D81 WeakPolarHBondContact CB-OD1 3.48Å; S76-D81 PolarHBondContact N-O 3.27Å; S76-D81 PolarHBondContact O-N 2.95Å; N79-D81 VanDerWaalsContact CB-OD2 3.25Å; N79-D81 WeakPolarHBondContact CB-OD2 3.37Å; D81-K127 HydrophobicContact CB-CD 4.15Å; D81-K127 WeakPolarHBondContact OD2-CD 3.49Å; D81-K127 IonicContact OD2-NZ 3.4Å; D81-K127 PolarHBondContact OD2-NZ 2.86Å; D81-T158 HydrophobicContact CB-CG2 3.82Å; D81-A159 VanDerWaalsContact CA-O 3.29Å; D81-A159 WeakPolarHBondContact CA-O 3.14Å; D81-A159 VanDerWaalsContact CB-O 3.25Å; D81-A159 WeakPolarHBondContact CB-O 3.45Å
82	Y	95.9	Very high	94.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	145.8	172.3	73.8	-68.6	0	0	0	109.9	I72 M74 L84 T158 A159 C161 C175 T176 L177 F237	I72-Y82 HydrophobicContact CG2-CD2 4.39Å; M74-Y82 CarbonylContact O-C 3.52Å; M74-Y82 VanDerWaalsContact O-CA 3.22Å; M74-Y82 WeakPolarHBondContact O-CA 3.47Å; Y82-L84 HydrophobicContact CD2-CD2 4.28Å; Y82-L84 HydrophobicContact CE2-CB 4.4Å; Y82-L84 HydrophobicContact CE2-CD2 3.43Å; Y82-L84 VanDerWaalsContact CE2-CD2 3.43Å; Y82-L84 HydrophobicContact CE2-CG 4.49Å; Y82-T158 CarbonylContact O-C 3.45Å; Y82-T158 WeakPolarHBondContact O-CA 3.05Å; Y82-A159 HydrophobicContact CD1-CB 4.23Å; Y82-A159 WeakPolarHBondContact CD1-O 3.38Å; Y82-A159 HydrophobicContact CE1-CB 3.62Å; Y82-A159 PolarHBondContact N-O 2.77Å; Y82-A159 PolarHBondContact O-N 2.82Å; Y82-C161 HydrophobicContact CD1-CB 3.73Å; Y82-C161 HydrophobicContact CE1-CB 4.11Å; Y82-C175 HydrophobicContact CD1-CB 3.87Å; Y82-C175 HydrophobicContact CE1-CB 3.64Å; Y82-C175 HydrophobicContact CG-CB 4.44Å; Y82-T176 VanDerWaalsContact OH-C 3.25Å; Y82-T176 PolarHBondContact OH-O 2.94Å; Y82-L177 PolarHBondContact OH-N 2.77Å; Y82-F237 HydrophobicContact CE2-CD2 4.11Å; Y82-F237 HydrophobicContact CE2-CE2 4.2Å
83	T	96.1	Very high	94.5	Very high	22 Å²	22	40.5 Å²	40.5	14%	0.135	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.1	179.7	-57.8	0	0	0	0	109.3	I72 D73 M74 T156 T157 T158	I72-T83 CarbonylContact C-O 3.51Å; D73-T83 HydrophobicContact CB-CG2 4.29Å; D73-T83 PolarHBondContact N-O 3.4Å; M74-T83 PolarHBondContact O-N 2.8Å; T83-T156 HydrophobicContact CG2-CG2 3.49Å; T83-T156 VanDerWaalsContact CG2-CG2 3.49Å; T83-T157 WeakPolarHBondContact CA-O 3.16Å; T83-T158 PolarHBondContact OG1-OG1 2.86Å
84	L	95.4	Very high	94.9	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142.9	176.7	73.1	96.1	0	0	0	110.3	S71 I72 Y82 M86 T156 T157 L177	S71-L84 WeakPolarHBondContact O-CA 3.21Å; I72-L84 HydrophobicContact CG1-CB 4.35Å; Y82-L84 HydrophobicContact CD2-CD2 4.28Å; Y82-L84 HydrophobicContact CE2-CB 4.4Å; Y82-L84 HydrophobicContact CE2-CD2 3.43Å; Y82-L84 VanDerWaalsContact CE2-CD2 3.43Å; Y82-L84 HydrophobicContact CE2-CG 4.49Å; L84-M86 HydrophobicContact CD1-CB 3.89Å; L84-M86 HydrophobicContact CD1-CE 4.22Å; L84-M86 HydrophobicContact CD1-CG 3.65Å; L84-M86 HydrophobicContact CD1-SD 3.55Å; L84-M86 VanDerWaalsContact CD1-SD 3.55Å; L84-T156 WeakPolarHBondContact O-CA 3.39Å; L84-T157 HydrophobicContact CD1-CG2 3.97Å; L84-T157 HydrophobicContact CD2-CG2 4.26Å; L84-T157 HydrophobicContact CG-CG2 3.86Å; L84-T157 PolarHBondContact N-O 3.28Å; L84-T157 PolarHBondContact O-N 3.05Å; L84-L177 HydrophobicContact CD2-CD1 4.29Å; L84-L177 HydrophobicContact CD2-CD2 4.24Å
85	T	96	Very high	95.2	Very high	7 Å²	7	36.4 Å²	36.4	4%	0.043	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.1	172.7	-63.6	0	0	0	0	108.8	A70 S71 D73 I155 T156	A70-T85 HydrophobicContact CB-CG2 4.2Å; A70-T85 WeakPolarHBondContact CB-O 3.44Å; A70-T85 PolarHBondContact N-O 3.16Å; S71-T85 PolarHBondContact N-O 3.4Å; S71-T85 VanDerWaalsContact N-O 3.15Å; S71-T85 PolarHBondContact O-N 2.9Å; D73-T85 PolarHBondContact OD2-OG1 2.71Å; T85-I155 WeakPolarHBondContact CA-O 3.48Å; T85-T156 WeakPolarHBondContact OG1-CG2 3.01Å; T85-T156 PolarHBondContact OG1-OG1 2.85Å
86	M	96.3	Very high	95.2	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	157.1	-175.4	63.1	178.4	176.7	0	0	112.8	I67 D68 L84 F88 F123 I155 T157 L177	I67-M86 HydrophobicContact CD1-SD 4.31Å; I67-M86 HydrophobicContact CG2-CB 3.94Å; I67-M86 HydrophobicContact CG2-CG 4.28Å; I67-M86 HydrophobicContact CG2-SD 3.53Å; I67-M86 VanDerWaalsContact CG2-SD 3.53Å; D68-M86 CarbonylContact O-C 3.55Å; D68-M86 VanDerWaalsContact O-CA 3.31Å; D68-M86 WeakPolarHBondContact O-CA 3.21Å; D68-M86 WeakPolarHBondContact O-CB 3.17Å; L84-M86 HydrophobicContact CD1-CB 3.89Å; L84-M86 HydrophobicContact CD1-CE 4.22Å; L84-M86 HydrophobicContact CD1-CG 3.65Å; L84-M86 HydrophobicContact CD1-SD 3.55Å; L84-M86 VanDerWaalsContact CD1-SD 3.55Å; M86-F88 HydrophobicContact CE-CB 4.39Å; M86-F88 HydrophobicContact CE-CD2 4.27Å; M86-F123 HydrophobicContact CE-CE1 3.51Å; M86-F123 HydrophobicContact CE-CE2 4.07Å; M86-F123 HydrophobicContact CE-CZ 3.23Å; M86-I155 PolarHBondContact N-O 2.74Å; M86-I155 PolarHBondContact O-N 2.91Å; M86-T157 HydrophobicContact CE-CG2 4.11Å; M86-L177 HydrophobicContact CE-CD2 3.9Å; M86-L177 HydrophobicContact SD-CD2 3.91Å
87	Y	96.7	Very high	95.2	Very high	96 Å²	96	39.4 Å²	39.4	38%	0.376	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	107.8	161.7	-59.4	-83.8	0	0	0	108.4	D68 A70 L153 R154	D68-Y87 HydrophobicContact CB-CD2 4.37Å; D68-Y87 PolarHBondContact N-O 3.34Å; D68-Y87 PolarHBondContact O-N 3.09Å; A70-Y87 HydrophobicContact CB-CD2 4.48Å; A70-Y87 HydrophobicContact CB-CE2 4.1Å; Y87-L153 CarbonylContact C-O 3.22Å; Y87-L153 WeakPolarHBondContact CA-O 3.33Å; Y87-R154 HydrophobicContact CD1-CB 4Å; Y87-R154 HydrophobicContact CD1-CG 4.13Å; Y87-R154 HydrophobicContact CE1-CB 4Å; Y87-R154 HydrophobicContact CE1-CG 3.89Å
88	F	96.9	Very high	95.2	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	118.9	179.9	-172.2	-116.8	0	0	0	109.7	M65 I67 M86 Q90 T121 F123 G152 L153 I155 I179	M65-F88 HydrophobicContact CE-CZ 4.38Å; M65-F88 HydrophobicContact CG-CZ 4.43Å; M65-F88 HydrophobicContact SD-CE2 4.14Å; M65-F88 HydrophobicContact SD-CZ 3.71Å; I67-F88 HydrophobicContact CD1-CD2 4.11Å; I67-F88 HydrophobicContact CD1-CE2 4.11Å; I67-F88 HydrophobicContact CG1-CD2 3.88Å; I67-F88 HydrophobicContact CG1-CE2 4.13Å; M86-F88 HydrophobicContact CE-CB 4.39Å; M86-F88 HydrophobicContact CE-CD2 4.27Å; F88-Q90 HydrophobicContact CD1-CG 4.14Å; F88-Q90 VanDerWaalsContact CE1-CD 3.48Å; F88-Q90 HydrophobicContact CE1-CG 3.58Å; F88-Q90 VanDerWaalsContact CE1-NE2 3.31Å; F88-Q90 HydrophobicContact CZ-CG 3.99Å; F88-T121 HydrophobicContact CE1-CG2 3.95Å; F88-T121 HydrophobicContact CZ-CG2 3.85Å; F88-F123 HydrophobicContact CD1-CZ 4.49Å; F88-F123 HydrophobicContact CD2-CZ 4.41Å; F88-F123 HydrophobicContact CE2-CE1 4.49Å; F88-F123 HydrophobicContact CG-CZ 4.42Å; F88-G152 CarbonylContact O-C 3.58Å; F88-G152 WeakPolarHBondContact O-CA 3.44Å; F88-L153 PolarHBondContact N-O 3.27Å; F88-L153 PolarHBondContact O-N 3.46Å; F88-I155 HydrophobicContact CB-CD1 4.15Å; F88-I155 HydrophobicContact CD1-CD1 4.42Å; F88-I179 HydrophobicContact CE2-CD1 3.89Å; F88-I179 HydrophobicContact CZ-CD1 4.41Å; F88-I179 HydrophobicContact CZ-CG2 4.38Å
89	Q	96.4	Very high	95.2	Very high	51 Å²	51	37.4 Å²	37.4	24%	0.238	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.4	-177.4	-64.1	177.4	-22.9	0	0	110.8	M65 N66 Y91 L150 Y151	M65-Q89 WeakPolarHBondContact CA-O 3.5Å; N66-Q89 HydrophobicContact CB-CB 4.19Å; N66-Q89 PolarHBondContact N-O 3.45Å; N66-Q89 PolarHBondContact ND2-OE1 2.93Å; N66-Q89 WeakPolarHBondContact O-CB 3.4Å; N66-Q89 PolarHBondContact O-N 2.85Å; Q89-Y91 HydrophobicContact CB-CE2 3.99Å; Q89-Y91 PolarHBondContact OE1-OH 3.47Å; Q89-L150 HydrophobicContact CB-CD1 4.19Å; Q89-Y151 CarbonylContact C-O 3.28Å; Q89-Y151 WeakPolarHBondContact CA-O 3.47Å
90	Q	97.3	Very high	94.9	Very high	5 Å²	5	37.8 Å²	37.8	2%	0.023	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140.9	178.5	-61.7	-178.3	75.4	0	0	109.4	V63 G64 F88 W92 T121 Y151	V63-Q90 HydrophobicContact CG1-CB 4.24Å; G64-Q90 CarbonylContact O-C 3.57Å; G64-Q90 WeakPolarHBondContact O-CA 3.3Å; F88-Q90 HydrophobicContact CD1-CG 4.14Å; F88-Q90 VanDerWaalsContact CE1-CD 3.48Å; F88-Q90 HydrophobicContact CE1-CG 3.58Å; F88-Q90 VanDerWaalsContact CE1-NE2 3.31Å; F88-Q90 HydrophobicContact CZ-CG 3.99Å; Q90-W92 HydrophobicContact CB-CE3 4.42Å; Q90-W92 HydrophobicContact CB-CZ3 4.24Å; Q90-T121 PolarHBondContact OE1-OG1 3.08Å; Q90-Y151 PolarHBondContact N-O 3.37Å; Q90-Y151 PolarHBondContact O-N 3.03Å
91	Y	96.9	Very high	94.2	Very high	32 Å²	32	39.2 Å²	39.2	13%	0.125	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	123	-179.1	-63.2	-98	0	0	0	109.3	V63 G64 N66 Q89 V149 L150	V63-Y91 CarbonylContact C-O 3.55Å; V63-Y91 WeakPolarHBondContact CA-O 3.45Å; G64-Y91 PolarHBondContact N-O 3.15Å; G64-Y91 PolarHBondContact O-N 2.96Å; N66-Y91 HydrophobicContact CB-CE2 4.15Å; Q89-Y91 HydrophobicContact CB-CE2 3.99Å; Q89-Y91 PolarHBondContact OE1-OH 3.47Å; Y91-V149 WeakPolarHBondContact CA-O 3.45Å; Y91-L150 HydrophobicContact CD1-CB 3.99Å; Y91-L150 HydrophobicContact CD1-CD1 3.85Å; Y91-L150 HydrophobicContact CD1-CG 4.39Å; Y91-L150 HydrophobicContact CD2-CD1 4.21Å; Y91-L150 HydrophobicContact CE1-CB 3.84Å; Y91-L150 HydrophobicContact CE1-CD1 3.34Å; Y91-L150 HydrophobicContact CE1-CD2 3.87Å; Y91-L150 HydrophobicContact CE1-CG 3.85Å; Y91-L150 HydrophobicContact CE2-CD1 3.72Å; Y91-L150 HydrophobicContact CG-CD1 4.27Å; Y91-L150 WeakPolarHBondContact OH-CD1 3.1Å
92	W	97.1	Very high	93.5	Very high	6 Å²	6	38.9 Å²	38.9	2%	0.023	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	166.2	171.1	69.5	97.7	0	0	0	109.7	V61 V63 Q90 W117 V118 P119 T148 V149 Y151	V61-W92 HydrophobicContact CG1-CB 4Å; V63-W92 HydrophobicContact CG2-CB 4.13Å; Q90-W92 HydrophobicContact CB-CE3 4.42Å; Q90-W92 HydrophobicContact CB-CZ3 4.24Å; W92-W117 AromaticContact CD1-CZ3 3.96Å; W92-W117 HydrophobicContact CD2-CZ3 4.5Å; W92-W117 HydrophobicContact CG-CZ3 4.32Å; W92-W117 VanDerWaalsContact CZ2-O 3.24Å; W92-W117 WeakPolarHBondContact CZ2-O 3.26Å; W92-W117 AromaticContact NE1-CE3 3.87Å; W92-W117 AromaticContact NE1-CZ3 3.94Å; W92-V118 HydrophobicContact CH2-CG1 4.47Å; W92-V118 HydrophobicContact CH2-CG2 4.35Å; W92-P119 HydrophobicContact CE3-CG 4.35Å; W92-P119 HydrophobicContact CZ3-CG 4.38Å; W92-T148 CarbonylContact O-C 3.58Å; W92-T148 WeakPolarHBondContact O-CA 3.42Å; W92-V149 HydrophobicContact CD2-CB 4.01Å; W92-V149 HydrophobicContact CE3-CB 4.42Å; W92-V149 HydrophobicContact CH2-CB 4.17Å; W92-V149 HydrophobicContact CH2-CG1 3.63Å; W92-V149 HydrophobicContact CZ2-CB 3.7Å; W92-V149 HydrophobicContact CZ2-CG1 3.43Å; W92-V149 VanDerWaalsContact CZ2-CG1 3.43Å; W92-V149 HydrophobicContact CZ2-CG2 4.17Å; W92-V149 HydrophobicContact CZ3-CG1 4.25Å; W92-V149 PolarHBondContact N-O 3.49Å; W92-V149 VanDerWaalsContact N-O 3.16Å; W92-V149 PolarHBondContact O-N 3.17Å; W92-Y151 HydrophobicContact CH2-CG 4.21Å; W92-Y151 VanDerWaalsContact CZ3-CB 3.41Å; W92-Y151 HydrophobicContact CZ3-CG 4.27Å
93	R	96.1	Very high	92.7	Very high	140 Å²	140	44.2 Å²	44.2	53%	0.528	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.2	176.2	-169.5	174.2	-175.3	172	1	110	D146	R93-D146 PolarHBondContact NE-O 2.75Å; R93-D146 VanDerWaalsContact NE-O 3.12Å; R93-D146 PolarHBondContact NH2-O 3.26Å
94	D	96	Very high	92.2	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	25%	0.253	C	S	.	.			trans	-119.8	107.1	170.9	-169.6	-16.6	0	0	0	109.2	Y48 P54 R96 L97 G147 V149	Y48-D94 WeakPolarHBondContact CE2-OD2 3.33Å; Y48-D94 PolarHBondContact OH-OD2 2.93Å; P54-D94 HydrophobicContact CB-CB 4.25Å; P54-D94 HydrophobicContact CG-CB 4.01Å; D94-R96 PolarHBondContact O-N 2.93Å; D94-R96 VanDerWaalsContact O-N 3.15Å; D94-R96 VanDerWaalsContact OD1-CB 3.27Å; D94-R96 WeakPolarHBondContact OD1-CB 3.38Å; D94-R96 WeakPolarHBondContact OD1-CG 3.4Å; D94-R96 IonicContact OD1-CZ 3.79Å; D94-R96 PolarHBondContact OD1-N 2.83Å; D94-R96 IonicContact OD1-NE 2.79Å; D94-R96 PolarHBondContact OD1-NE 2.79Å; D94-R96 IonicContact OD1-NH2 3.34Å; D94-R96 IonicContact OD2-CZ 3.22Å; D94-R96 IonicContact OD2-NE 2.73Å; D94-R96 PolarHBondContact OD2-NE 2.95Å; D94-R96 IonicContact OD2-NH2 3.59Å; D94-R96 PolarHBondContact OD2-NH2 3.29Å; D94-L97 HydrophobicContact CB-CB 4.49Å; D94-L97 HydrophobicContact CB-CD1 4.04Å; D94-L97 HydrophobicContact CB-CG 4.24Å; D94-L97 PolarHBondContact O-N 3.45Å; D94-G147 PolarHBondContact N-O 2.89Å; D94-G147 WeakPolarHBondContact O-CA 3.4Å; D94-V149 HydrophobicContact CB-CG2 4.39Å
95	K	93.5	Very high	91.9	Very high	120 Å²	120	50.8 Å²	50.8	52%	0.522	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-60.8	-25.1	-178.5	-62.9	174.9	-170.5	135.5	0	112.5	D55 L97 A98	D55-K95 IonicContact OD1-NZ 3.86Å; D55-K95 PolarHBondContact OD1-NZ 3.18Å; D55-K95 IonicContact OD2-NZ 2.79Å; D55-K95 PolarHBondContact OD2-NZ 3.37Å; K95-L97 PolarHBondContact O-N 3.03Å; K95-A98 WeakPolarHBondContact O-CB 3.24Å; K95-A98 PolarHBondContact O-N 3.09Å
96	R	93.8	Very high	91.5	Very high	88 Å²	88	51.2 Å²	51.2	33%	0.332	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-68.2	-23	178.4	-57.1	173.7	-68.2	179.3	0.5	112.2	Y48 D49 L52 D94	Y48-R96 HydrophobicContact CD2-CB 4.14Å; Y48-R96 HydrophobicContact CE2-CB 4.08Å; Y48-R96 PolarHBondContact OH-NH2 3.17Å; Y48-R96 VanDerWaalsContact OH-NH2 3.12Å; D49-R96 PolarHBondContact O-NH1 2.89Å; D49-R96 VanDerWaalsContact O-NH1 3.09Å; L52-R96 PolarHBondContact O-NH1 2.81Å; L52-R96 PolarHBondContact O-NH2 2.83Å; D94-R96 PolarHBondContact O-N 2.93Å; D94-R96 VanDerWaalsContact O-N 3.15Å; D94-R96 VanDerWaalsContact OD1-CB 3.27Å; D94-R96 WeakPolarHBondContact OD1-CB 3.38Å; D94-R96 WeakPolarHBondContact OD1-CG 3.4Å; D94-R96 IonicContact OD1-CZ 3.79Å; D94-R96 PolarHBondContact OD1-N 2.83Å; D94-R96 IonicContact OD1-NE 2.79Å; D94-R96 PolarHBondContact OD1-NE 2.79Å; D94-R96 IonicContact OD1-NH2 3.34Å; D94-R96 IonicContact OD2-CZ 3.22Å; D94-R96 IonicContact OD2-NE 2.73Å; D94-R96 PolarHBondContact OD2-NE 2.95Å; D94-R96 IonicContact OD2-NH2 3.59Å; D94-R96 PolarHBondContact OD2-NH2 3.29Å
97	L	93.3	Very high	91.3	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.01	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-98.5	6.4	-179.3	-60	175.7	0	0	0	112.9	Y48 D94 K95 L116 L143 V149	Y48-L97 HydrophobicContact CD2-CD2 3.94Å; Y48-L97 HydrophobicContact CE2-CD1 4.3Å; Y48-L97 HydrophobicContact CE2-CD2 3.79Å; Y48-L97 HydrophobicContact CE2-CG 3.93Å; D94-L97 HydrophobicContact CB-CB 4.49Å; D94-L97 HydrophobicContact CB-CD1 4.04Å; D94-L97 HydrophobicContact CB-CG 4.24Å; D94-L97 PolarHBondContact O-N 3.45Å; K95-L97 PolarHBondContact O-N 3.03Å; L97-L116 HydrophobicContact CD1-CD1 4.46Å; L97-L116 HydrophobicContact CD1-CD2 3.84Å; L97-L116 HydrophobicContact CD2-CD2 3.71Å; L97-L116 HydrophobicContact CG-CD2 4.43Å; L97-L143 HydrophobicContact CD1-CD2 4.1Å; L97-V149 HydrophobicContact CD1-CG2 3.72Å
98	A	92.6	Very high	90.8	Very high	45 Å²	45	51.6 Å²	51.6	37%	0.372	29%	0.285	S	S	.	.			trans	-71	137.6	175.9	0	0	0	0	0	110.7	K95	K95-A98 WeakPolarHBondContact O-CB 3.24Å; K95-A98 PolarHBondContact O-N 3.09Å
99	Y	90.6	Very high	90.3	Very high	16 Å²	16	55.8 Å²	55.8	6%	0.063	31%	0.308	C	S	.	.			trans	-135.8	148.9	-179.1	60	-89	0	0	0	111.4	T40 L44 I102 L104 L106 L143 H144 P145	T40-Y99 HydrophobicContact CG2-CG 4.3Å; L44-Y99 HydrophobicContact CD1-CD1 4.07Å; L44-Y99 HydrophobicContact CD1-CG 4.49Å; Y99-I102 HydrophobicContact CD2-CB 4.22Å; Y99-I102 HydrophobicContact CE2-CB 3.96Å; Y99-I102 HydrophobicContact CE2-CG2 4.44Å; Y99-I102 WeakPolarHBondContact CE2-O 3.37Å; Y99-L104 PolarHBondContact OH-O 3.4Å; Y99-L106 HydrophobicContact CD1-CD1 4.34Å; Y99-L106 HydrophobicContact CD2-CD1 4.43Å; Y99-L106 HydrophobicContact CE1-CD1 3.89Å; Y99-L106 HydrophobicContact CE1-CG 4.36Å; Y99-L106 HydrophobicContact CE2-CD1 3.99Å; Y99-L106 HydrophobicContact CE2-CG 4.24Å; Y99-L106 PolarHBondContact OH-N 3.38Å; Y99-L143 HydrophobicContact CE1-CB 4.07Å; Y99-L143 PolarHBondContact OH-O 3.37Å; Y99-H144 WeakPolarHBondContact CE1-O 3.36Å; Y99-P145 HydrophobicContact CE2-CB 4.09Å; Y99-P145 HydrophobicContact CE2-CG 3.95Å; Y99-P145 PolarHBondContact N-O 3.2Å
100	S	85.8	Confident	89.7	Confident	106 Å²	106	54.1 Å²	54.1	74%	0.741	30%	0.301	S	S	*	.	S	Bend	trans	-120.2	146.7	179.2	59.6	0	0	0	0	110.4
101	G	80	Confident	89.1	Confident	65 Å²	65	63 Å²	63	67%	0.67	33%	0.334	S	S	*	.	S	Bend	trans	104.9	-12.3	176.2	0	0	0	0	0	114.8
102	I	81.4	Confident	88.5	Confident	8 Å²	8	62.6 Å²	62.6	4%	0.041	34%	0.335	C	S	.	.			trans	-122.2	113	172.5	-56	171.3	0	0	0	107.8	F36 V37 Y99 L104	F36-I102 HydrophobicContact CD1-CD1 3.92Å; F36-I102 HydrophobicContact CD1-CG1 3.83Å; F36-I102 HydrophobicContact CE1-CD1 3.98Å; F36-I102 HydrophobicContact CE1-CG1 3.54Å; V37-I102 HydrophobicContact CB-CD1 4.43Å; V37-I102 HydrophobicContact CG2-CD1 3.71Å; Y99-I102 HydrophobicContact CD2-CB 4.22Å; Y99-I102 HydrophobicContact CE2-CB 3.96Å; Y99-I102 HydrophobicContact CE2-CG2 4.44Å; Y99-I102 WeakPolarHBondContact CE2-O 3.37Å; I102-L104 HydrophobicContact CG2-CB 3.96Å; I102-L104 PolarHBondContact O-N 3.36Å
103	P	79.3	Confident	87.9	Confident	112 Å²	112	62.5 Å²	62.5	73%	0.727	34%	0.335	S	S	*	.			trans	-77.9	0.3	-179.8	31.4	-34.8	0	0	0	113.4
104	L	84.9	Confident	87.5	Confident	85 Å²	85	60.3 Å²	60.3	45%	0.445	33%	0.334	S	S	.	.	S	Bend	trans	-98.9	152.4	-175.3	-66	163.3	0	0	0	112	V28 Y99 I102	V28-L104 HydrophobicContact CG1-CD1 3.81Å; Y99-L104 PolarHBondContact OH-O 3.4Å; I102-L104 HydrophobicContact CG2-CB 3.96Å; I102-L104 PolarHBondContact O-N 3.36Å
105	N	89.4	Confident	87.2	Confident	77 Å²	77	65.2 Å²	65.2	41%	0.412	36%	0.357	S	S	.	.			trans	-77.5	122.5	172.8	-56.2	-28.2	0	0	0	109.8	T107 R142 L143 H144	N105-T107 PolarHBondContact O-N 2.85Å; N105-R142 HydrophobicContact CB-CG 3.94Å; N105-L143 CarbonylContact C-O 3.52Å; N105-L143 WeakPolarHBondContact CA-O 3.23Å; N105-H144 VanDerWaalsContact CG-CE1 3.45Å; N105-H144 PolarHBondContact ND2-CE1 3.04Å; N105-H144 VanDerWaalsContact ND2-CE1 3.27Å; N105-H144 PolarHBondContact ND2-ND1 3.25Å; N105-H144 PolarHBondContact OD1-ND1 3.26Å
106	L	88.4	Confident	87.2	Confident	17 Å²	17	60 Å²	60	9%	0.089	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	113.4	179.6	-64.9	174.2	0	0	0	109.4	V37 V41 Y99 L108 R142 L143	V37-L106 HydrophobicContact CG1-CD2 3.87Å; V37-L106 HydrophobicContact CG2-CD2 4.28Å; V41-L106 HydrophobicContact CG2-CD1 4.39Å; Y99-L106 HydrophobicContact CD1-CD1 4.34Å; Y99-L106 HydrophobicContact CD2-CD1 4.43Å; Y99-L106 HydrophobicContact CE1-CD1 3.89Å; Y99-L106 HydrophobicContact CE1-CG 4.36Å; Y99-L106 HydrophobicContact CE2-CD1 3.99Å; Y99-L106 HydrophobicContact CE2-CG 4.24Å; Y99-L106 PolarHBondContact OH-N 3.38Å; L106-L108 HydrophobicContact CB-CD2 4.48Å; L106-R142 CarbonylContact O-C 3.45Å; L106-R142 VanDerWaalsContact O-CA 3.29Å; L106-R142 WeakPolarHBondContact O-CA 3.33Å; L106-L143 HydrophobicContact CB-CB 4.43Å; L106-L143 PolarHBondContact N-O 2.86Å; L106-L143 PolarHBondContact O-N 2.97Å
107	T	90	Very high	87.3	Confident	76 Å²	76	56.2 Å²	56.2	47%	0.466	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	116.7	170	-54.3	0	0	0	0	108.1	N105 M140 I141 R142	N105-T107 PolarHBondContact O-N 2.85Å; T107-M140 HydrophobicContact CG2-CE 3.86Å; T107-M140 HydrophobicContact CG2-CG 4.5Å; T107-I141 WeakPolarHBondContact CA-O 3.4Å; T107-R142 PolarHBondContact OG1-NE 2.86Å; T107-R142 PolarHBondContact OG1-NH2 3.41Å
108	L	86.9	Confident	87.4	Confident	27 Å²	27	58.1 Å²	58.1	14%	0.141	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	153.3	-174.3	-61.2	178.2	0	0	0	111.1	V41 L106 V112 I141 L143	V41-L108 HydrophobicContact CG2-CD2 4.09Å; L106-L108 HydrophobicContact CB-CD2 4.48Å; L108-V112 HydrophobicContact CB-CB 4.36Å; L108-V112 HydrophobicContact CB-CG2 4.45Å; L108-V112 HydrophobicContact CD1-CB 4.38Å; L108-V112 HydrophobicContact CD1-CG1 3.94Å; L108-I141 HydrophobicContact CB-CB 4.41Å; L108-I141 HydrophobicContact CB-CG2 4.38Å; L108-I141 HydrophobicContact CD1-CG2 4.23Å; L108-I141 PolarHBondContact N-O 3.07Å; L108-L143 HydrophobicContact CD1-CD1 3.51Å; L108-L143 HydrophobicContact CD1-CG 3.86Å; L108-L143 HydrophobicContact CG-CD1 4.5Å
109	D	86	Confident	87.5	Confident	92 Å²	92	56.3 Å²	56.3	49%	0.492	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-66.7	152.2	172.7	-176.6	38.7	0	0	0	111.1	R111 V112	D109-R111 PolarHBondContact O-N 2.85Å; D109-R111 WeakPolarHBondContact OD2-CD 3.35Å; D109-R111 VanDerWaalsContact OD2-CG 3.27Å; D109-R111 WeakPolarHBondContact OD2-CG 3.43Å; D109-V112 PolarHBondContact O-N 3.21Å
110	N	83.6	Confident	87.7	Confident	16 Å²	16	57.8 Å²	57.8	9%	0.086	33%	0.326	C	S	.	.	H	α-helix	trans	-56.4	-27.4	-179	165.5	62.7	0	0	0	112.8	V112 A113 K137 R139	N110-V112 PolarHBondContact O-N 3.12Å; N110-A113 WeakPolarHBondContact O-CB 3.41Å; N110-A113 PolarHBondContact O-N 3.46Å; N110-K137 WeakPolarHBondContact ND2-CB 3.4Å; N110-R139 WeakPolarHBondContact OD1-CB 3.48Å; N110-R139 WeakPolarHBondContact OD1-CD 3.47Å; N110-R139 WeakPolarHBondContact OD1-CG 3.36Å
111	R	84.6	Confident	88.2	Confident	191 Å²	191	54.1 Å²	54.1	72%	0.721	30%	0.299	S	S	*	.	H	α-helix	trans	-63.7	-25.4	179.1	-64.4	175.8	65.7	161.4	1.3	114	D109 A113	D109-R111 PolarHBondContact O-N 2.85Å; D109-R111 WeakPolarHBondContact OD2-CD 3.35Å; D109-R111 VanDerWaalsContact OD2-CG 3.27Å; D109-R111 WeakPolarHBondContact OD2-CG 3.43Å; R111-A113 VanDerWaalsContact C-N 3.26Å
112	V	85.6	Confident	88.9	Confident	24 Å²	24	54.2 Å²	54.2	15%	0.145	28%	0.28	C	S	.	.	H	α-helix	trans	-76	-20.4	176.7	-172.9	0	0	0	0	110.9	L45 L108 D109 N110 D114 Q115 L116	L45-V112 HydrophobicContact CD1-CG1 4.25Å; L45-V112 HydrophobicContact CD2-CG1 4.27Å; L108-V112 HydrophobicContact CB-CB 4.36Å; L108-V112 HydrophobicContact CB-CG2 4.45Å; L108-V112 HydrophobicContact CD1-CB 4.38Å; L108-V112 HydrophobicContact CD1-CG1 3.94Å; D109-V112 PolarHBondContact O-N 3.21Å; N110-V112 PolarHBondContact O-N 3.12Å; V112-D114 PolarHBondContact O-N 3.21Å; V112-Q115 PolarHBondContact O-N 3.22Å; V112-L116 HydrophobicContact CG1-CD1 4.24Å; V112-L116 HydrophobicContact CG1-CG 4.43Å
113	A	84.6	Confident	89.6	Confident	4 Å²	4	55.1 Å²	55.1	3%	0.033	28%	0.283	C	S	.	.	H	α-helix	trans	-60.2	-34.3	178	0	0	0	0	0	113.5	N110 R111 Q115 L116 I141 Y151	N110-A113 WeakPolarHBondContact O-CB 3.41Å; N110-A113 PolarHBondContact O-N 3.46Å; R111-A113 VanDerWaalsContact C-N 3.26Å; A113-Q115 PolarHBondContact O-N 3.09Å; A113-L116 PolarHBondContact O-N 2.93Å; A113-I141 HydrophobicContact CB-CD1 3.26Å; A113-I141 HydrophobicContact CB-CG1 4.22Å; A113-Y151 HydrophobicContact CB-CE2 4.45Å
114	D	87.8	Confident	90.4	Very high	94 Å²	94	53 Å²	53	50%	0.503	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-6.5	-179.3	-59	-33.7	0	0	0	112.3	V112 R139	V112-D114 PolarHBondContact O-N 3.21Å; D114-R139 IonicContact OD1-NH1 2.68Å; D114-R139 PolarHBondContact OD1-NH1 2.86Å
115	Q	90.3	Very high	90.9	Very high	104 Å²	104	50.1 Å²	50.1	49%	0.486	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	3.9	177.9	-59.8	-179.7	38.9	0	0	113.1	L45 I50 V112 A113	L45-Q115 HydrophobicContact CD2-CB 4.46Å; I50-Q115 WeakPolarHBondContact CG2-O 3.45Å; V112-Q115 PolarHBondContact O-N 3.22Å; A113-Q115 PolarHBondContact O-N 3.09Å
116	L	92.8	Very high	91.2	Very high	12 Å²	12	48.7 Å²	48.7	6%	0.063	24%	0.243	C	C	.	.	S	Bend	trans	-116	149.8	179.9	-66.3	177.2	0	0	0	110.1	L45 Y48 L97 V112 A113 V118 I141	L45-L116 HydrophobicContact CD2-CD2 3.91Å; Y48-L116 HydrophobicContact CD1-CD2 4.36Å; Y48-L116 HydrophobicContact CE1-CD2 4.04Å; L97-L116 HydrophobicContact CD1-CD1 4.46Å; L97-L116 HydrophobicContact CD1-CD2 3.84Å; L97-L116 HydrophobicContact CD2-CD2 3.71Å; L97-L116 HydrophobicContact CG-CD2 4.43Å; V112-L116 HydrophobicContact CG1-CD1 4.24Å; V112-L116 HydrophobicContact CG1-CG 4.43Å; A113-L116 PolarHBondContact O-N 2.93Å; L116-V118 PolarHBondContact O-N 2.93Å; L116-I141 HydrophobicContact CD1-CD1 4.12Å; L116-I141 HydrophobicContact CD1-CG2 4.28Å
117	W	95.1	Very high	91.6	Very high	8 Å²	8	53 Å²	53	3%	0.03	26%	0.261	C	S	.	.			trans	-69	132.8	169.9	178.4	94.8	0	0	0	108.7	Y48 I50 R53 P54 W92 P119 Y184 I189	Y48-W117 HydrophobicContact CE1-CB 4.39Å; Y48-W117 WeakPolarHBondContact OH-CB 3.38Å; Y48-W117 PolarHBondContact OH-N 3.18Å; I50-W117 VanDerWaalsContact O-CD1 3.31Å; R53-W117 HydrophobicContact CB-CZ2 3.75Å; P54-W117 VanDerWaalsContact CD-CE3 3.41Å; P54-W117 HydrophobicContact CG-CD2 4.33Å; P54-W117 HydrophobicContact CG-CE3 3.78Å; P54-W117 HydrophobicContact CG-CZ3 3.95Å; W92-W117 AromaticContact CD1-CZ3 3.96Å; W92-W117 HydrophobicContact CD2-CZ3 4.5Å; W92-W117 HydrophobicContact CG-CZ3 4.32Å; W92-W117 VanDerWaalsContact CZ2-O 3.24Å; W92-W117 WeakPolarHBondContact CZ2-O 3.26Å; W92-W117 AromaticContact NE1-CE3 3.87Å; W92-W117 AromaticContact NE1-CZ3 3.94Å; W117-P119 HydrophobicContact CH2-CB 3.98Å; W117-P119 HydrophobicContact CZ3-CB 4.35Å; W117-Y184 AromaticContact CZ2-CE2 3.99Å; W117-Y184 HydrophobicContact CZ2-CE2 3.99Å; W117-Y184 AromaticContact NE1-CZ 3.93Å; W117-Y184 PolarHBondContact NE1-OH 2.86Å; W117-I189 HydrophobicContact CH2-CD1 3.78Å; W117-I189 HydrophobicContact CZ2-CD1 3.82Å
118	V	94.7	Very high	91.8	Very high	41 Å²	41	56.4 Å²	56.4	25%	0.248	27%	0.269	C	S	.	.			trans	-128.1	137.1	175.9	179.4	0	0	0	0	106.9	W92 L116 Y151	W92-V118 HydrophobicContact CH2-CG1 4.47Å; W92-V118 HydrophobicContact CH2-CG2 4.35Å; L116-V118 PolarHBondContact O-N 2.93Å; V118-Y151 HydrophobicContact CG1-CD1 3.76Å; V118-Y151 HydrophobicContact CG1-CE1 3.49Å; V118-Y151 VanDerWaalsContact CG1-CE1 3.49Å; V118-Y151 HydrophobicContact CG1-CG 4.47Å
119	P	96	Very high	92.2	Very high	8 Å²	8	57.8 Å²	57.8	5%	0.052	28%	0.281	C	S	.	.			trans	-57.9	143.5	175.7	25.4	-36.5	0	0	0	111.5	V63 W92 W117 T121 I189	V63-P119 HydrophobicContact CG1-CG 4.19Å; V63-P119 HydrophobicContact CG2-CB 4.28Å; V63-P119 HydrophobicContact CG2-CG 4.41Å; W92-P119 HydrophobicContact CE3-CG 4.35Å; W92-P119 HydrophobicContact CZ3-CG 4.38Å; W117-P119 HydrophobicContact CH2-CB 3.98Å; W117-P119 HydrophobicContact CZ3-CB 4.35Å; P119-T121 PolarHBondContact O-N 2.79Å; P119-I189 HydrophobicContact CB-CD1 4.34Å
120	D	94.4	Very high	92.6	Very high	46 Å²	46	58.5 Å²	58.5	25%	0.246	28%	0.28	C	S	.	.			trans	-81.6	46.1	-177.4	65.8	-9.6	0	0	0	112.6	Y122 S181 Y182 G183 Y184	D120-Y122 PolarHBondContact O-N 2.86Å; D120-S181 PolarHBondContact OD1-OG 2.91Å; D120-Y182 PolarHBondContact O-N 2.95Å; D120-G183 WeakPolarHBondContact OD2-CA 3.27Å; D120-G183 PolarHBondContact OD2-N 3.14Å; D120-Y184 HydrophobicContact CB-CE2 4.44Å; D120-Y184 VanDerWaalsContact CG-CD2 3.46Å; D120-Y184 VanDerWaalsContact OD1-CD2 3.29Å; D120-Y184 WeakPolarHBondContact OD1-CD2 3.42Å; D120-Y184 WeakPolarHBondContact OD2-CD2 3.35Å
121	T	96	Very high	93.1	Very high	30 Å²	30	60.5 Å²	60.5	18%	0.184	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	123.7	-178.3	-54.2	0	0	0	0	110.4	M65 F88 Q90 P119 I179 F191	M65-T121 HydrophobicContact CE-CG2 3.59Å; M65-T121 HydrophobicContact SD-CG2 4.41Å; F88-T121 HydrophobicContact CE1-CG2 3.95Å; F88-T121 HydrophobicContact CZ-CG2 3.85Å; Q90-T121 PolarHBondContact OE1-OG1 3.08Å; P119-T121 PolarHBondContact O-N 2.79Å; T121-I179 HydrophobicContact CG2-CG2 3.29Å; T121-F191 HydrophobicContact CG2-CE2 4.46Å; T121-F191 HydrophobicContact CG2-CZ 4.38Å
122	Y	95.2	Very high	93.6	Very high	67 Å²	67	53.2 Å²	53.2	26%	0.263	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	156.1	177	83.5	-72.9	0	0	0	111.6	D120 L124 E180 S181 Y182	D120-Y122 PolarHBondContact O-N 2.86Å; Y122-L124 HydrophobicContact CE2-CB 4.35Å; Y122-L124 HydrophobicContact CE2-CD1 3.93Å; Y122-L124 WeakPolarHBondContact OH-CD1 3.49Å; Y122-E180 HydrophobicContact CD1-CB 4.36Å; Y122-E180 WeakPolarHBondContact CD1-O 3.09Å; Y122-E180 HydrophobicContact CE1-CB 3.67Å; Y122-E180 HydrophobicContact CE1-CG 4.06Å; Y122-E180 PolarHBondContact N-O 3.4Å; Y122-E180 PolarHBondContact O-N 3.4Å; Y122-E180 PolarHBondContact OH-OE2 2.86Å; Y122-S181 WeakPolarHBondContact CE1-O 3.48Å; Y122-Y182 HydrophobicContact CD1-CD2 4.21Å; Y122-Y182 HydrophobicContact CE1-CD2 4.21Å; Y122-Y182 HydrophobicContact CG-CD2 4.42Å
123	F	96.7	Very high	93.9	Very high	26 Å²	26	54 Å²	54	11%	0.114	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	114.9	176.3	-60.8	-66.1	0	0	0	109	M86 F88 N125 D126 I155 L177 E178 I179	M86-F123 HydrophobicContact CE-CE1 3.51Å; M86-F123 HydrophobicContact CE-CE2 4.07Å; M86-F123 HydrophobicContact CE-CZ 3.23Å; F88-F123 HydrophobicContact CD1-CZ 4.49Å; F88-F123 HydrophobicContact CD2-CZ 4.41Å; F88-F123 HydrophobicContact CE2-CE1 4.49Å; F88-F123 HydrophobicContact CG-CZ 4.42Å; F123-N125 PolarHBondContact O-N 3.04Å; F123-D126 HydrophobicContact CB-CB 3.73Å; F123-D126 PolarHBondContact O-N 3.31Å; F123-I155 HydrophobicContact CE2-CD1 4.17Å; F123-I155 HydrophobicContact CE2-CG2 4.47Å; F123-I155 HydrophobicContact CZ-CD1 4.43Å; F123-L177 HydrophobicContact CD1-CD1 3.8Å; F123-L177 HydrophobicContact CD1-CG 4.22Å; F123-L177 HydrophobicContact CE1-CD1 4.35Å; F123-L177 HydrophobicContact CE1-CD2 4.3Å; F123-L177 HydrophobicContact CE1-CG 4.49Å; F123-L177 HydrophobicContact CG-CD1 4.39Å; F123-E178 CarbonylContact C-O 3.45Å; F123-E178 VanDerWaalsContact CA-O 3.31Å; F123-E178 WeakPolarHBondContact CA-O 3.14Å; F123-I179 HydrophobicContact CD1-CG1 3.75Å; F123-I179 HydrophobicContact CE1-CD1 4.2Å; F123-I179 HydrophobicContact CE1-CG1 3.73Å
124	L	94.8	Very high	94.2	Very high	68 Å²	68	59.9 Å²	59.9	36%	0.356	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-43.2	-171.7	-178.9	77.8	0	0	0	112.1	Y122 D126 E178 R232	Y122-L124 HydrophobicContact CE2-CB 4.35Å; Y122-L124 HydrophobicContact CE2-CD1 3.93Å; Y122-L124 WeakPolarHBondContact OH-CD1 3.49Å; L124-D126 VanDerWaalsContact C-N 3.35Å; L124-E178 HydrophobicContact CB-CB 4Å; L124-E178 HydrophobicContact CD2-CB 4.43Å; L124-E178 WeakPolarHBondContact CD2-OE2 3.2Å; L124-E178 PolarHBondContact N-O 3.26Å; L124-R232 VanDerWaalsContact CD2-NH1 3.31Å
125	N	96.1	Very high	94.3	Very high	25 Å²	25	62 Å²	62	13%	0.134	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	20	-176.7	65.7	-37.8	0	0	0	112.9	F123 A159 A160 T176 E178	F123-N125 PolarHBondContact O-N 3.04Å; N125-A159 CarbonylContact O-C 3.54Å; N125-A159 WeakPolarHBondContact O-CA 3.47Å; N125-A160 HydrophobicContact CB-CB 4.39Å; N125-A160 PolarHBondContact ND2-O 2.82Å; N125-A160 PolarHBondContact O-N 2.98Å; N125-T176 PolarHBondContact ND2-O 2.8Å; N125-E178 PolarHBondContact OD1-N 3.41Å; N125-E178 VanDerWaalsContact OD1-N 3.08Å
126	D	96.3	Very high	94.2	Very high	47 Å²	47	61 Å²	61	25%	0.251	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	130.8	174.6	-177.8	51.8	0	0	0	111.4	F123 L124 K128 S129 T157	F123-D126 HydrophobicContact CB-CB 3.73Å; F123-D126 PolarHBondContact O-N 3.31Å; L124-D126 VanDerWaalsContact C-N 3.35Å; D126-K128 PolarHBondContact OD1-N 2.83Å; D126-K128 VanDerWaalsContact OD1-O 3.09Å; D126-S129 WeakPolarHBondContact OD1-CB 3.5Å; D126-S129 PolarHBondContact OD1-N 2.78Å; D126-S129 WeakPolarHBondContact OD2-CB 3.36Å; D126-S129 PolarHBondContact OD2-N 2.89Å; D126-S129 PolarHBondContact OD2-OG 2.92Å; D126-T157 PolarHBondContact OD1-OG1 2.91Å
127	K	95.5	Very high	94	Very high	106 Å²	106	65.9 Å²	65.9	46%	0.461	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-36	167.9	-65.7	-173.8	-175.9	175.5	0	111.5	N79 D81 T158 A160	N79-K127 PolarHBondContact O-NZ 2.8Å; D81-K127 HydrophobicContact CB-CD 4.15Å; D81-K127 WeakPolarHBondContact OD2-CD 3.49Å; D81-K127 IonicContact OD2-NZ 3.4Å; D81-K127 PolarHBondContact OD2-NZ 2.86Å; K127-T158 PolarHBondContact N-O 2.87Å; K127-A160 HydrophobicContact CG-CB 4.26Å
128	K	94.8	Very high	93.8	Very high	149 Å²	149	68.2 Å²	68.2	65%	0.648	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-159.6	122.3	-177.4	-175.5	179.2	-179.9	-178.5	0	109.5	D126 T158	D126-K128 PolarHBondContact OD1-N 2.83Å; D126-K128 VanDerWaalsContact OD1-O 3.09Å; K128-T158 PolarHBondContact O-N 2.95Å
129	S	95.3	Very high	93.7	Very high	56 Å²	56	69.6 Å²	69.6	39%	0.392	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	153.9	174.6	52.8	0	0	0	0	111.9	D126 T156	D126-S129 WeakPolarHBondContact OD1-CB 3.5Å; D126-S129 PolarHBondContact OD1-N 2.78Å; D126-S129 WeakPolarHBondContact OD2-CB 3.36Å; D126-S129 PolarHBondContact OD2-N 2.89Å; D126-S129 PolarHBondContact OD2-OG 2.92Å; S129-T156 CarbonylContact C-O 3.57Å; S129-T156 VanDerWaalsContact CA-O 3.28Å; S129-T156 WeakPolarHBondContact CA-O 3.41Å
130	F	94.9	Very high	93.4	Very high	106 Å²	106	72.7 Å²	72.7	47%	0.465	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	144.8	170.8	65.6	-88.3	0	0	0	111.3	H132 I155 T156	F130-H132 AromaticContact CE2-CE1 3.65Å; F130-H132 AromaticContact CE2-NE2 3.65Å; F130-I155 WeakPolarHBondContact O-CG2 3.42Å; F130-T156 HydrophobicContact CE1-CG2 3.7Å; F130-T156 VanDerWaalsContact CZ-CB 3.45Å; F130-T156 HydrophobicContact CZ-CG2 3.9Å; F130-T156 PolarHBondContact N-O 2.84Å; F130-T156 PolarHBondContact O-N 2.84Å
131	V	94.5	Very high	93.4	Very high	59 Å²	59	70.6 Å²	70.6	36%	0.358	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	132.3	170.6	-176.5	0	0	0	0	108.2	G133 L153 I155	V131-G133 PolarHBondContact O-N 3.34Å; V131-L153 HydrophobicContact CG1-CD2 4.33Å; V131-I155 HydrophobicContact CG2-CG1 4.35Å
132	H	93.8	Very high	93.3	Very high	37 Å²	37	72.9 Å²	72.9	17%	0.171	38%	0.376	C	S	.	.			trans	-66.6	134.2	179.8	-72.6	-102.5	0	0	0	111	F130 N138 R154 T156	F130-H132 AromaticContact CE2-CE1 3.65Å; F130-H132 AromaticContact CE2-NE2 3.65Å; H132-N138 HydrophobicContact CB-CB 4.2Å; H132-N138 VanDerWaalsContact CB-ND2 3.3Å; H132-N138 WeakPolarHBondContact CB-ND2 3.29Å; H132-N138 WeakPolarHBondContact O-CB 3.48Å; H132-N138 PolarHBondContact O-N 2.88Å; H132-R154 HydrophobicContact CB-CB 4.28Å; H132-R154 HydrophobicContact CB-CG 4.27Å; H132-R154 PolarHBondContact CD2-O 2.9Å; H132-R154 PolarHBondContact N-O 2.86Å; H132-T156 PolarHBondContact CE1-OG1 3.38Å; H132-T156 PolarHBondContact NE2-OG1 3.28Å
133	G	91.5	Very high	93.2	Very high	40 Å²	40	70 Å²	70	41%	0.412	36%	0.364	S	S	.	.			trans	-127.3	4.5	-168.8	0	0	0	0	0	116.9	V131 T135 V136	V131-G133 PolarHBondContact O-N 3.34Å; G133-T135 CarbonylContact O-C 3.53Å; G133-V136 CarbonylContact C-O 3.58Å; G133-V136 CarbonylContact O-C 3.59Å; G133-V136 VanDerWaalsContact O-C 3.28Å; G133-V136 PolarHBondContact O-N 3.19Å
134	V	90.8	Very high	93.1	Very high	128 Å²	128	70.8 Å²	70.8	78%	0.776	37%	0.369	S	S	*	.	S	Bend	trans	-110.5	128.2	-174.1	-178.7	0	0	0	0	109.7
135	T	90.3	Very high	92.9	Very high	138 Å²	138	69.6 Å²	69.6	85%	0.847	37%	0.365	S	S	*	.	S	Bend	cis	-80.5	-13.4	-6	51.5	0	0	0	0	113.9	G133	G133-T135 CarbonylContact O-C 3.53Å
136	V	89.4	Confident	92.8	Very high	84 Å²	84	71.7 Å²	71.7	51%	0.509	38%	0.376	S	S	.	.	S	Bend	trans	-131.9	159.3	175.1	-177.7	0	0	0	0	108	G133 N138	G133-V136 CarbonylContact C-O 3.58Å; G133-V136 CarbonylContact O-C 3.59Å; G133-V136 VanDerWaalsContact O-C 3.28Å; G133-V136 PolarHBondContact O-N 3.19Å; V136-N138 PolarHBondContact O-N 2.91Å; V136-N138 VanDerWaalsContact O-N 3.13Å; V136-N138 PolarHBondContact O-OD1 2.68Å
137	K	88.5	Confident	92.6	Very high	115 Å²	115	69.5 Å²	69.5	50%	0.5	37%	0.365	S	S	.	.			trans	-54.5	119.7	171.6	-69.2	-175.3	-179.2	178.5	0	110.3	N110 R139	N110-K137 WeakPolarHBondContact ND2-CB 3.4Å; K137-R139 HydrophobicContact CB-CG 4.28Å; K137-R139 PolarHBondContact O-N 3.44Å
138	N	90.4	Very high	92.6	Very high	57 Å²	57	65.5 Å²	65.5	31%	0.305	35%	0.349	S	S	.	.			trans	-78.8	66.3	-178	-68.4	-20.9	0	0	0	110.6	H132 V136 R154	H132-N138 HydrophobicContact CB-CB 4.2Å; H132-N138 VanDerWaalsContact CB-ND2 3.3Å; H132-N138 WeakPolarHBondContact CB-ND2 3.29Å; H132-N138 WeakPolarHBondContact O-CB 3.48Å; H132-N138 PolarHBondContact O-N 2.88Å; V136-N138 PolarHBondContact O-N 2.91Å; V136-N138 VanDerWaalsContact O-N 3.13Å; V136-N138 PolarHBondContact O-OD1 2.68Å; N138-R154 HydrophobicContact CB-CB 3.94Å; N138-R154 PolarHBondContact O-N 2.68Å; N138-R154 VanDerWaalsContact O-N 3.14Å
139	R	91.8	Very high	92.6	Very high	70 Å²	70	58.4 Å²	58.4	26%	0.264	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.7	169.7	-33.2	-180	123.2	170.1	-1.6	108.5	N110 D114 K137 Y151 G152 L153	N110-R139 WeakPolarHBondContact OD1-CB 3.48Å; N110-R139 WeakPolarHBondContact OD1-CD 3.47Å; N110-R139 WeakPolarHBondContact OD1-CG 3.36Å; D114-R139 IonicContact OD1-NH1 2.68Å; D114-R139 PolarHBondContact OD1-NH1 2.86Å; K137-R139 HydrophobicContact CB-CG 4.28Å; K137-R139 PolarHBondContact O-N 3.44Å; R139-Y151 HydrophobicContact CB-CE2 4.32Å; R139-Y151 PolarHBondContact NE-OH 2.73Å; R139-G152 CarbonylContact C-O 3.54Å; R139-G152 VanDerWaalsContact CA-O 3.27Å; R139-G152 WeakPolarHBondContact CA-O 3.29Å; R139-L153 HydrophobicContact CB-CD2 3.56Å; R139-L153 HydrophobicContact CG-CD2 3.35Å
140	M	91.3	Very high	92.6	Very high	73 Å²	73	56.3 Å²	56.3	36%	0.36	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.1	179.3	-176.5	-172.3	-151.5	0	0	108.5	T107 Y151 G152	T107-M140 HydrophobicContact CG2-CE 3.86Å; T107-M140 HydrophobicContact CG2-CG 4.5Å; M140-Y151 CarbonylContact O-C 3.45Å; M140-Y151 WeakPolarHBondContact O-CA 3.38Å; M140-G152 PolarHBondContact N-O 3.48Å; M140-G152 PolarHBondContact O-N 2.95Å
141	I	93.4	Very high	92.7	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.2	168	-69.9	-179	0	0	0	109.1	T107 L108 A113 L116 L143 V149 L150 Y151	T107-I141 WeakPolarHBondContact CA-O 3.4Å; L108-I141 HydrophobicContact CB-CB 4.41Å; L108-I141 HydrophobicContact CB-CG2 4.38Å; L108-I141 HydrophobicContact CD1-CG2 4.23Å; L108-I141 PolarHBondContact N-O 3.07Å; A113-I141 HydrophobicContact CB-CD1 3.26Å; A113-I141 HydrophobicContact CB-CG1 4.22Å; L116-I141 HydrophobicContact CD1-CD1 4.12Å; L116-I141 HydrophobicContact CD1-CG2 4.28Å; I141-L143 HydrophobicContact CG2-CD2 4.25Å; I141-L143 HydrophobicContact CG2-CG 4.39Å; I141-V149 HydrophobicContact CG2-CG1 4.33Å; I141-L150 CarbonylContact C-O 3.52Å; I141-L150 WeakPolarHBondContact CA-O 3.47Å; I141-Y151 HydrophobicContact CD1-CD2 4.17Å; I141-Y151 HydrophobicContact CD1-CE2 4.42Å; I141-Y151 HydrophobicContact CG1-CD2 3.71Å; I141-Y151 HydrophobicContact CG1-CE2 4.27Å
142	R	93.7	Very high	92.7	Very high	79 Å²	79	49.2 Å²	49.2	30%	0.298	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	120.7	171.3	179.7	174.8	-69.5	161.5	-4	109.5	N105 L106 T107 L150	N105-R142 HydrophobicContact CB-CG 3.94Å; L106-R142 CarbonylContact O-C 3.45Å; L106-R142 VanDerWaalsContact O-CA 3.29Å; L106-R142 WeakPolarHBondContact O-CA 3.33Å; T107-R142 PolarHBondContact OG1-NE 2.86Å; T107-R142 PolarHBondContact OG1-NH2 3.41Å; R142-L150 HydrophobicContact CB-CB 4.17Å; R142-L150 HydrophobicContact CB-CD2 4.38Å; R142-L150 HydrophobicContact CB-CG 4.48Å; R142-L150 PolarHBondContact N-O 2.85Å; R142-L150 PolarHBondContact O-N 2.83Å
143	L	93.3	Very high	92.8	Very high	5 Å²	5	48.2 Å²	48.2	3%	0.026	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	134.5	173.9	-59.3	-178.8	0	0	0	109.4	L44 L97 Y99 N105 L106 L108 I141 V149	L44-L143 HydrophobicContact CD1-CD1 4.48Å; L97-L143 HydrophobicContact CD1-CD2 4.1Å; Y99-L143 HydrophobicContact CE1-CB 4.07Å; Y99-L143 PolarHBondContact OH-O 3.37Å; N105-L143 CarbonylContact C-O 3.52Å; N105-L143 WeakPolarHBondContact CA-O 3.23Å; L106-L143 HydrophobicContact CB-CB 4.43Å; L106-L143 PolarHBondContact N-O 2.86Å; L106-L143 PolarHBondContact O-N 2.97Å; L108-L143 HydrophobicContact CD1-CD1 3.51Å; L108-L143 HydrophobicContact CD1-CG 3.86Å; L108-L143 HydrophobicContact CG-CD1 4.5Å; I141-L143 HydrophobicContact CG2-CD2 4.25Å; I141-L143 HydrophobicContact CG2-CG 4.39Å; L143-V149 HydrophobicContact CD2-CB 4.2Å; L143-V149 HydrophobicContact CD2-CG1 3.94Å; L143-V149 HydrophobicContact CD2-CG2 3.68Å
144	H	94	Very high	93	Very high	44 Å²	44	50.3 Å²	50.3	20%	0.204	26%	0.26	C	S	.	.			trans	-99.4	152.7	170.7	-69.5	-83.6	0	0	0	110.2	Y99 N105 D146 G147 T148	Y99-H144 WeakPolarHBondContact CE1-O 3.36Å; N105-H144 VanDerWaalsContact CG-CE1 3.45Å; N105-H144 PolarHBondContact ND2-CE1 3.04Å; N105-H144 VanDerWaalsContact ND2-CE1 3.27Å; N105-H144 PolarHBondContact ND2-ND1 3.25Å; N105-H144 PolarHBondContact OD1-ND1 3.26Å; H144-D146 WeakPolarHBondContact CB-OD1 3.5Å; H144-D146 PolarHBondContact O-N 3.17Å; H144-D146 VanDerWaalsContact O-N 3.11Å; H144-G147 PolarHBondContact O-N 2.77Å; H144-T148 WeakPolarHBondContact CB-O 3.33Å; H144-T148 PolarHBondContact CD2-O 2.92Å; H144-T148 PolarHBondContact N-O 2.58Å
145	P	91.9	Very high	93.2	Very high	43 Å²	43	44.8 Å²	44.8	28%	0.279	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-27.2	-178.1	-25.9	34.3	0	0	0	114.7	Y99 G147	Y99-P145 HydrophobicContact CE2-CB 4.09Å; Y99-P145 HydrophobicContact CE2-CG 3.95Å; Y99-P145 PolarHBondContact N-O 3.2Å; P145-G147 PolarHBondContact O-N 3.4Å
146	D	92.7	Very high	93.5	Very high	69 Å²	69	38.5 Å²	38.5	37%	0.369	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-1.6	179.7	70.1	-31.7	0	0	0	114.4	R93 H144 T148	R93-D146 PolarHBondContact NE-O 2.75Å; R93-D146 VanDerWaalsContact NE-O 3.12Å; R93-D146 PolarHBondContact NH2-O 3.26Å; H144-D146 WeakPolarHBondContact CB-OD1 3.5Å; H144-D146 PolarHBondContact O-N 3.17Å; H144-D146 VanDerWaalsContact O-N 3.11Å; D146-T148 VanDerWaalsContact CG-OG1 3.3Å; D146-T148 VanDerWaalsContact OD1-CB 3.29Å; D146-T148 WeakPolarHBondContact OD1-CB 3.42Å; D146-T148 PolarHBondContact OD1-N 2.74Å; D146-T148 PolarHBondContact OD1-OG1 2.96Å; D146-T148 PolarHBondContact OD2-OG1 2.95Å
147	G	92.8	Very high	93.9	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.01	16%	0.163	C	C	.	.	S	Bend	trans	87.3	7.6	-174.1	0	0	0	0	0	113.8	D94 H144 P145 V149	D94-G147 PolarHBondContact N-O 2.89Å; D94-G147 WeakPolarHBondContact O-CA 3.4Å; H144-G147 PolarHBondContact O-N 2.77Å; P145-G147 PolarHBondContact O-N 3.4Å; G147-V149 PolarHBondContact O-N 3.21Å
148	T	95.3	Very high	94.3	Very high	22 Å²	22	30.2 Å²	30.2	14%	0.135	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	127.4	173.5	-63.5	0	0	0	0	110.1	W92 H144 D146	W92-T148 CarbonylContact O-C 3.58Å; W92-T148 WeakPolarHBondContact O-CA 3.42Å; H144-T148 WeakPolarHBondContact CB-O 3.33Å; H144-T148 PolarHBondContact CD2-O 2.92Å; H144-T148 PolarHBondContact N-O 2.58Å; D146-T148 VanDerWaalsContact CG-OG1 3.3Å; D146-T148 VanDerWaalsContact OD1-CB 3.29Å; D146-T148 WeakPolarHBondContact OD1-CB 3.42Å; D146-T148 PolarHBondContact OD1-N 2.74Å; D146-T148 PolarHBondContact OD1-OG1 2.96Å; D146-T148 PolarHBondContact OD2-OG1 2.95Å
149	V	95.7	Very high	94.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.5	176.7	-171.8	0	0	0	0	108.7	Y91 W92 D94 L97 I141 L143 G147	Y91-V149 WeakPolarHBondContact CA-O 3.45Å; W92-V149 HydrophobicContact CD2-CB 4.01Å; W92-V149 HydrophobicContact CE3-CB 4.42Å; W92-V149 HydrophobicContact CH2-CB 4.17Å; W92-V149 HydrophobicContact CH2-CG1 3.63Å; W92-V149 HydrophobicContact CZ2-CB 3.7Å; W92-V149 HydrophobicContact CZ2-CG1 3.43Å; W92-V149 VanDerWaalsContact CZ2-CG1 3.43Å; W92-V149 HydrophobicContact CZ2-CG2 4.17Å; W92-V149 HydrophobicContact CZ3-CG1 4.25Å; W92-V149 PolarHBondContact N-O 3.49Å; W92-V149 VanDerWaalsContact N-O 3.16Å; W92-V149 PolarHBondContact O-N 3.17Å; D94-V149 HydrophobicContact CB-CG2 4.39Å; L97-V149 HydrophobicContact CD1-CG2 3.72Å; I141-V149 HydrophobicContact CG2-CG1 4.33Å; L143-V149 HydrophobicContact CD2-CB 4.2Å; L143-V149 HydrophobicContact CD2-CG1 3.94Å; L143-V149 HydrophobicContact CD2-CG2 3.68Å; G147-V149 PolarHBondContact O-N 3.21Å
150	L	95.6	Very high	94.9	Very high	11 Å²	11	25.4 Å²	25.4	6%	0.058	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	120.2	165.9	165.2	55.7	0	0	0	108.6	Q89 Y91 I141 R142	Q89-L150 HydrophobicContact CB-CD1 4.19Å; Y91-L150 HydrophobicContact CD1-CB 3.99Å; Y91-L150 HydrophobicContact CD1-CD1 3.85Å; Y91-L150 HydrophobicContact CD1-CG 4.39Å; Y91-L150 HydrophobicContact CD2-CD1 4.21Å; Y91-L150 HydrophobicContact CE1-CB 3.84Å; Y91-L150 HydrophobicContact CE1-CD1 3.34Å; Y91-L150 HydrophobicContact CE1-CD2 3.87Å; Y91-L150 HydrophobicContact CE1-CG 3.85Å; Y91-L150 HydrophobicContact CE2-CD1 3.72Å; Y91-L150 HydrophobicContact CG-CD1 4.27Å; Y91-L150 WeakPolarHBondContact OH-CD1 3.1Å; I141-L150 CarbonylContact C-O 3.52Å; I141-L150 WeakPolarHBondContact CA-O 3.47Å; R142-L150 HydrophobicContact CB-CB 4.17Å; R142-L150 HydrophobicContact CB-CD2 4.38Å; R142-L150 HydrophobicContact CB-CG 4.48Å; R142-L150 PolarHBondContact N-O 2.85Å; R142-L150 PolarHBondContact O-N 2.83Å
151	Y	95.8	Very high	95.1	Very high	9 Å²	9	22.2 Å²	22.2	4%	0.035	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	119.5	174.7	-178.2	-123.4	0	0	0	110	Q89 Q90 W92 A113 V118 R139 M140 I141 L153	Q89-Y151 CarbonylContact C-O 3.28Å; Q89-Y151 WeakPolarHBondContact CA-O 3.47Å; Q90-Y151 PolarHBondContact N-O 3.37Å; Q90-Y151 PolarHBondContact O-N 3.03Å; W92-Y151 HydrophobicContact CH2-CG 4.21Å; W92-Y151 VanDerWaalsContact CZ3-CB 3.41Å; W92-Y151 HydrophobicContact CZ3-CG 4.27Å; A113-Y151 HydrophobicContact CB-CE2 4.45Å; V118-Y151 HydrophobicContact CG1-CD1 3.76Å; V118-Y151 HydrophobicContact CG1-CE1 3.49Å; V118-Y151 VanDerWaalsContact CG1-CE1 3.49Å; V118-Y151 HydrophobicContact CG1-CG 4.47Å; R139-Y151 HydrophobicContact CB-CE2 4.32Å; R139-Y151 PolarHBondContact NE-OH 2.73Å; M140-Y151 CarbonylContact O-C 3.45Å; M140-Y151 WeakPolarHBondContact O-CA 3.38Å; I141-Y151 HydrophobicContact CD1-CD2 4.17Å; I141-Y151 HydrophobicContact CD1-CE2 4.42Å; I141-Y151 HydrophobicContact CG1-CD2 3.71Å; I141-Y151 HydrophobicContact CG1-CE2 4.27Å; Y151-L153 HydrophobicContact CD1-CD1 4.28Å; Y151-L153 HydrophobicContact CD1-CG 4.33Å; Y151-L153 HydrophobicContact CE1-CD1 3.42Å; Y151-L153 VanDerWaalsContact CE1-CD1 3.42Å; Y151-L153 HydrophobicContact CE1-CD2 4.11Å; Y151-L153 HydrophobicContact CE1-CG 3.7Å; Y151-L153 HydrophobicContact CE2-CD2 4.17Å; Y151-L153 HydrophobicContact CE2-CG 4.46Å
152	G	95.3	Very high	95.1	Very high	8 Å²	8	30.1 Å²	30.1	8%	0.082	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141.1	178.9	0	0	0	0	0	111.5	F88 R139 M140	F88-G152 CarbonylContact O-C 3.58Å; F88-G152 WeakPolarHBondContact O-CA 3.44Å; R139-G152 CarbonylContact C-O 3.54Å; R139-G152 VanDerWaalsContact CA-O 3.27Å; R139-G152 WeakPolarHBondContact CA-O 3.29Å; M140-G152 PolarHBondContact N-O 3.48Å; M140-G152 PolarHBondContact O-N 2.95Å
153	L	94.8	Very high	95.1	Very high	16 Å²	16	26.9 Å²	26.9	8%	0.084	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	140	176.5	-65.5	171.7	0	0	0	110	Y87 F88 V131 R139 Y151 I155	Y87-L153 CarbonylContact C-O 3.22Å; Y87-L153 WeakPolarHBondContact CA-O 3.33Å; F88-L153 PolarHBondContact N-O 3.27Å; F88-L153 PolarHBondContact O-N 3.46Å; V131-L153 HydrophobicContact CG1-CD2 4.33Å; R139-L153 HydrophobicContact CB-CD2 3.56Å; R139-L153 HydrophobicContact CG-CD2 3.35Å; Y151-L153 HydrophobicContact CD1-CD1 4.28Å; Y151-L153 HydrophobicContact CD1-CG 4.33Å; Y151-L153 HydrophobicContact CE1-CD1 3.42Å; Y151-L153 VanDerWaalsContact CE1-CD1 3.42Å; Y151-L153 HydrophobicContact CE1-CD2 4.11Å; Y151-L153 HydrophobicContact CE1-CG 3.7Å; Y151-L153 HydrophobicContact CE2-CD2 4.17Å; Y151-L153 HydrophobicContact CE2-CG 4.46Å; L153-I155 HydrophobicContact CB-CD1 3.84Å; L153-I155 HydrophobicContact CB-CG1 3.73Å; L153-I155 HydrophobicContact CD1-CD1 3.89Å
154	R	95.9	Very high	95.1	Very high	84 Å²	84	29.6 Å²	29.6	32%	0.317	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	117.2	162.6	-171.8	-177.1	173.9	171	0.7	108.9	Y87 H132 N138	Y87-R154 HydrophobicContact CD1-CB 4Å; Y87-R154 HydrophobicContact CD1-CG 4.13Å; Y87-R154 HydrophobicContact CE1-CB 4Å; Y87-R154 HydrophobicContact CE1-CG 3.89Å; H132-R154 HydrophobicContact CB-CB 4.28Å; H132-R154 HydrophobicContact CB-CG 4.27Å; H132-R154 PolarHBondContact CD2-O 2.9Å; H132-R154 PolarHBondContact N-O 2.86Å; N138-R154 HydrophobicContact CB-CB 3.94Å; N138-R154 PolarHBondContact O-N 2.68Å; N138-R154 VanDerWaalsContact O-N 3.14Å
155	I	96.2	Very high	95.1	Very high	11 Å²	11	27.5 Å²	27.5	6%	0.056	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	140.7	-174.3	-49.6	179.7	0	0	0	109	T85 M86 F88 F123 F130 V131 L153	T85-I155 WeakPolarHBondContact CA-O 3.48Å; M86-I155 PolarHBondContact N-O 2.74Å; M86-I155 PolarHBondContact O-N 2.91Å; F88-I155 HydrophobicContact CB-CD1 4.15Å; F88-I155 HydrophobicContact CD1-CD1 4.42Å; F123-I155 HydrophobicContact CE2-CD1 4.17Å; F123-I155 HydrophobicContact CE2-CG2 4.47Å; F123-I155 HydrophobicContact CZ-CD1 4.43Å; F130-I155 WeakPolarHBondContact O-CG2 3.42Å; V131-I155 HydrophobicContact CG2-CG1 4.35Å; L153-I155 HydrophobicContact CB-CD1 3.84Å; L153-I155 HydrophobicContact CB-CG1 3.73Å; L153-I155 HydrophobicContact CD1-CD1 3.89Å
156	T	96.9	Very high	95.1	Very high	7 Å²	7	32.4 Å²	32.4	4%	0.043	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	127.8	161.1	-61.7	0	0	0	0	108	T83 L84 T85 S129 F130 H132	T83-T156 HydrophobicContact CG2-CG2 3.49Å; T83-T156 VanDerWaalsContact CG2-CG2 3.49Å; L84-T156 WeakPolarHBondContact O-CA 3.39Å; T85-T156 WeakPolarHBondContact OG1-CG2 3.01Å; T85-T156 PolarHBondContact OG1-OG1 2.85Å; S129-T156 CarbonylContact C-O 3.57Å; S129-T156 VanDerWaalsContact CA-O 3.28Å; S129-T156 WeakPolarHBondContact CA-O 3.41Å; F130-T156 HydrophobicContact CE1-CG2 3.7Å; F130-T156 VanDerWaalsContact CZ-CB 3.45Å; F130-T156 HydrophobicContact CZ-CG2 3.9Å; F130-T156 PolarHBondContact N-O 2.84Å; F130-T156 PolarHBondContact O-N 2.84Å; H132-T156 PolarHBondContact CE1-OG1 3.38Å; H132-T156 PolarHBondContact NE2-OG1 3.28Å
157	T	96.4	Very high	95.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	135.8	179.5	173.8	0	0	0	0	109.8	T83 L84 M86 D126 L177	T83-T157 WeakPolarHBondContact CA-O 3.16Å; L84-T157 HydrophobicContact CD1-CG2 3.97Å; L84-T157 HydrophobicContact CD2-CG2 4.26Å; L84-T157 HydrophobicContact CG-CG2 3.86Å; L84-T157 PolarHBondContact N-O 3.28Å; L84-T157 PolarHBondContact O-N 3.05Å; M86-T157 HydrophobicContact CE-CG2 4.11Å; D126-T157 PolarHBondContact OD1-OG1 2.91Å; T157-L177 HydrophobicContact CG2-CD1 4.17Å
158	T	97.3	Very high	95.2	Very high	24 Å²	24	35.8 Å²	35.8	15%	0.147	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	103	170.3	-58.5	0	0	0	0	107.7	D81 Y82 T83 K127 K128	D81-T158 HydrophobicContact CB-CG2 3.82Å; Y82-T158 CarbonylContact O-C 3.45Å; Y82-T158 WeakPolarHBondContact O-CA 3.05Å; T83-T158 PolarHBondContact OG1-OG1 2.86Å; K127-T158 PolarHBondContact N-O 2.87Å; K128-T158 PolarHBondContact O-N 2.95Å
159	A	97.1	Very high	95.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	137.6	-178.3	0	0	0	0	0	111	D81 Y82 N125 C161 L177	D81-A159 VanDerWaalsContact CA-O 3.29Å; D81-A159 WeakPolarHBondContact CA-O 3.14Å; D81-A159 VanDerWaalsContact CB-O 3.25Å; D81-A159 WeakPolarHBondContact CB-O 3.45Å; Y82-A159 HydrophobicContact CD1-CB 4.23Å; Y82-A159 WeakPolarHBondContact CD1-O 3.38Å; Y82-A159 HydrophobicContact CE1-CB 3.62Å; Y82-A159 PolarHBondContact N-O 2.77Å; Y82-A159 PolarHBondContact O-N 2.82Å; N125-A159 CarbonylContact O-C 3.54Å; N125-A159 WeakPolarHBondContact O-CA 3.47Å; A159-C161 PolarHBondContact O-N 3.03Å; A159-L177 HydrophobicContact CB-CD1 4.25Å
160	A	97	Very high	94.9	Very high	27 Å²	27	36.8 Å²	36.8	22%	0.223	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	129.3	174.2	0	0	0	0	0	110.2	N125 K127	N125-A160 HydrophobicContact CB-CB 4.39Å; N125-A160 PolarHBondContact ND2-O 2.82Å; N125-A160 PolarHBondContact O-N 2.98Å; K127-A160 HydrophobicContact CG-CB 4.26Å
161	C	96.3	Very high	94.8	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.034	17%	0.17	C	C	.	.			trans	-135.1	104.8	175.8	177.5	0	0	0	0	108.5	M80 Y82 A159 M163 C175	M80-C161 CarbonylContact C-O 3.55Å; M80-C161 VanDerWaalsContact C-O 3.22Å; M80-C161 WeakPolarHBondContact CA-O 3.35Å; M80-C161 CarbonylContact O-C 3.52Å; M80-C161 PolarHBondContact O-N 2.85Å; M80-C161 VanDerWaalsContact O-O 3.08Å; Y82-C161 HydrophobicContact CD1-CB 3.73Å; Y82-C161 HydrophobicContact CE1-CB 4.11Å; A159-C161 PolarHBondContact O-N 3.03Å; C161-M163 PolarHBondContact O-N 3.06Å; C161-C175 HydrophobicContact CB-CB 3.75Å; C161-C175 WeakPolarHBondContact CB-SG 3.35Å; C161-C175 WeakPolarHBondContact SG-CA 3.46Å; C161-C175 WeakPolarHBondContact SG-CB 3.49Å; C161-C175 CovalentContact SG-SG 2.04Å; C161-C175 PolarHBondContact SG-SG 2.95Å
162	M	93.3	Very high	94.8	Very high	168 Å²	168	39.5 Å²	39.5	83%	0.828	18%	0.184	S	C	*	.			trans	-74.4	96.8	177.6	-64.8	-62.4	-166.8	0	0	109.4	M80	M80-M162 HydrophobicContact CB-SD 4.28Å
163	M	93.4	Very high	94.8	Very high	10 Å²	10	39.5 Å²	39.5	5%	0.049	18%	0.182	C	C	.	.			trans	-82.4	143.5	-176.2	-69.9	175.5	-95	0	0	112.5	V75 S76 E77 M80 C161 L165 Q173	V75-M163 HydrophobicContact CG1-CE 4.3Å; V75-M163 HydrophobicContact CG1-SD 4.1Å; S76-M163 WeakPolarHBondContact O-CE 3.4Å; E77-M163 HydrophobicContact CG-SD 4.37Å; M80-M163 HydrophobicContact SD-CB 3.82Å; M80-M163 HydrophobicContact SD-CE 4.24Å; C161-M163 PolarHBondContact O-N 3.06Å; M163-L165 HydrophobicContact CB-CD2 3.98Å; M163-Q173 HydrophobicContact CB-CG 4.23Å; M163-Q173 HydrophobicContact CG-CB 4.21Å; M163-Q173 HydrophobicContact CG-CG 3.88Å; M163-Q173 HydrophobicContact SD-CG 4.16Å
164	D	93.3	Very high	94.8	Very high	63 Å²	63	43.8 Å²	43.8	34%	0.337	21%	0.205	S	C	.	.			trans	-96.9	101.9	172.7	-178.2	4.3	0	0	0	110.7	R166 Q173	D164-R166 WeakPolarHBondContact OD1-CB 3.27Å; D164-R166 VanDerWaalsContact OD1-CG 3.23Å; D164-R166 WeakPolarHBondContact OD1-CG 3.39Å; D164-R166 IonicContact OD1-CZ 3.92Å; D164-R166 PolarHBondContact OD1-N 3.27Å; D164-R166 VanDerWaalsContact OD1-N 3.13Å; D164-R166 IonicContact OD1-NE 2.7Å; D164-R166 PolarHBondContact OD1-NE 2.89Å; D164-R166 IonicContact OD1-NH2 3.91Å; D164-R166 IonicContact OD2-CZ 2.9Å; D164-R166 VanDerWaalsContact OD2-CZ 3.23Å; D164-R166 IonicContact OD2-NE 2.82Å; D164-R166 PolarHBondContact OD2-NE 3.07Å; D164-R166 IonicContact OD2-NH2 3.7Å; D164-R166 PolarHBondContact OD2-NH2 3.19Å; D164-Q173 PolarHBondContact O-NE2 3.07Å
165	L	93.4	Very high	94.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.19	C	C	.	.			trans	-91.5	11.5	-175.6	-53.7	-173.4	0	0	0	114.1	E77 M80 M163 R167 Y168 P298 I300 Y302 K304	E77-L165 HydrophobicContact CB-CD1 4.14Å; E77-L165 HydrophobicContact CG-CD2 4.41Å; M80-L165 HydrophobicContact CE-CD1 4.21Å; M80-L165 HydrophobicContact CE-CG 4.48Å; M163-L165 HydrophobicContact CB-CD2 3.98Å; L165-R167 VanDerWaalsContact C-N 3.26Å; L165-R167 PolarHBondContact O-N 2.7Å; L165-Y168 HydrophobicContact CD2-CD2 4.3Å; L165-Y168 WeakPolarHBondContact O-CB 3.27Å; L165-Y168 PolarHBondContact O-N 2.71Å; L165-Y168 VanDerWaalsContact O-N 3.07Å; L165-P298 HydrophobicContact CD1-CG 3.47Å; L165-P298 VanDerWaalsContact CD1-CG 3.47Å; L165-I300 HydrophobicContact CB-CD1 4.19Å; L165-I300 HydrophobicContact CD1-CD1 3.55Å; L165-I300 HydrophobicContact CG-CD1 4.02Å; L165-Y302 HydrophobicContact CB-CE2 4.15Å; L165-Y302 PolarHBondContact N-OH 3.42Å; L165-Y302 VanDerWaalsContact N-OH 3.1Å; L165-K304 HydrophobicContact CB-CD 4.42Å
166	R	92.9	Very high	94.8	Very high	146 Å²	146	41.2 Å²	41.2	55%	0.551	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-38.4	-178.7	-74.6	178.9	-70.7	179.8	-2.2	112.8	D164 Y302 A305	D164-R166 WeakPolarHBondContact OD1-CB 3.27Å; D164-R166 VanDerWaalsContact OD1-CG 3.23Å; D164-R166 WeakPolarHBondContact OD1-CG 3.39Å; D164-R166 IonicContact OD1-CZ 3.92Å; D164-R166 PolarHBondContact OD1-N 3.27Å; D164-R166 VanDerWaalsContact OD1-N 3.13Å; D164-R166 IonicContact OD1-NE 2.7Å; D164-R166 PolarHBondContact OD1-NE 2.89Å; D164-R166 IonicContact OD1-NH2 3.91Å; D164-R166 IonicContact OD2-CZ 2.9Å; D164-R166 VanDerWaalsContact OD2-CZ 3.23Å; D164-R166 IonicContact OD2-NE 2.82Å; D164-R166 PolarHBondContact OD2-NE 3.07Å; D164-R166 IonicContact OD2-NH2 3.7Å; D164-R166 PolarHBondContact OD2-NH2 3.19Å; R166-Y302 HydrophobicContact CG-CD1 4.45Å; R166-Y302 HydrophobicContact CG-CD2 3.66Å; R166-Y302 HydrophobicContact CG-CE2 3.79Å; R166-Y302 HydrophobicContact CG-CG 4.03Å; R166-A305 PolarHBondContact O-N 3.32Å
167	R	93.3	Very high	94.8	Very high	130 Å²	130	40.9 Å²	40.9	49%	0.491	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	9	178.1	-67.8	-172.5	179.5	-159.7	-3.1	113.9	L165 L170 D171	L165-R167 VanDerWaalsContact C-N 3.26Å; L165-R167 PolarHBondContact O-N 2.7Å; R167-L170 CarbonylContact O-C 3.6Å; R167-L170 VanDerWaalsContact O-CA 3.32Å; R167-L170 WeakPolarHBondContact O-CA 3.16Å; R167-L170 WeakPolarHBondContact O-CB 3.19Å; R167-L170 PolarHBondContact O-N 2.82Å; R167-D171 HydrophobicContact CB-CB 4.35Å
168	Y	93.4	Very high	94.8	Very high	11 Å²	11	42.2 Å²	42.2	4%	0.043	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	131.9	-176.4	-179	-84.8	0	0	0	112.7	L165 F246 L297 I306	L165-Y168 HydrophobicContact CD2-CD2 4.3Å; L165-Y168 WeakPolarHBondContact O-CB 3.27Å; L165-Y168 PolarHBondContact O-N 2.71Å; L165-Y168 VanDerWaalsContact O-N 3.07Å; Y168-F246 HydrophobicContact CE1-CE1 4.3Å; Y168-F246 AromaticContact CZ-CE1 3.85Å; Y168-F246 AromaticContact CZ-CZ 3.95Å; Y168-F246 WeakPolarHBondContact OH-CE1 3.28Å; Y168-F246 WeakPolarHBondContact OH-CZ 3.31Å; Y168-L297 HydrophobicContact CD1-CD1 4.02Å; Y168-L297 HydrophobicContact CE1-CD1 3.61Å; Y168-L297 HydrophobicContact CE1-CD2 3.85Å; Y168-L297 HydrophobicContact CE1-CG 4.38Å; Y168-L297 HydrophobicContact CE2-CD2 3.91Å; Y168-L297 VanDerWaalsContact CZ-CD2 3.46Å; Y168-L297 WeakPolarHBondContact OH-CD2 3.49Å; Y168-I306 HydrophobicContact CD1-CB 4.35Å; Y168-I306 HydrophobicContact CD1-CD1 4.47Å; Y168-I306 HydrophobicContact CD1-CG2 3.78Å; Y168-I306 HydrophobicContact CE1-CD1 4.17Å; Y168-I306 HydrophobicContact CE1-CG2 4.32Å; Y168-I306 PolarHBondContact O-N 3.19Å; Y168-I306 VanDerWaalsContact O-N 3.11Å
169	P	93.6	Very high	94.8	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	cis	-95.4	15.3	2.6	38.7	-37.2	0	0	0	114.8	D171 R241 I243 F246 Y251	P169-D171 WeakPolarHBondContact CA-OD1 3.39Å; P169-D171 PolarHBondContact O-N 3.36Å; P169-R241 WeakPolarHBondContact O-CD 3.43Å; P169-I243 HydrophobicContact CG-CD1 4.07Å; P169-I243 HydrophobicContact CG-CG1 4.16Å; P169-F246 HydrophobicContact CB-CB 4.39Å; P169-F246 HydrophobicContact CB-CD1 4.31Å; P169-F246 HydrophobicContact CB-CD2 3.64Å; P169-F246 HydrophobicContact CB-CE2 3.96Å; P169-F246 HydrophobicContact CB-CG 3.82Å; P169-F246 HydrophobicContact CB-CZ 4.42Å; P169-F246 HydrophobicContact CG-CB 3.9Å; P169-F246 HydrophobicContact CG-CD1 4.46Å; P169-F246 HydrophobicContact CG-CD2 4.09Å; P169-F246 HydrophobicContact CG-CG 3.87Å; P169-Y251 HydrophobicContact CG-CE2 4.22Å
170	L	92.8	Very high	94.8	Very high	41 Å²	41	41.3 Å²	41.3	22%	0.215	20%	0.198	C	C	.	.	S	Bend	trans	-88.7	27.1	177	-69.4	158.1	0	0	0	111.6	R167 I243 W468 Y471 V472	R167-L170 CarbonylContact O-C 3.6Å; R167-L170 VanDerWaalsContact O-CA 3.32Å; R167-L170 WeakPolarHBondContact O-CA 3.16Å; R167-L170 WeakPolarHBondContact O-CB 3.19Å; R167-L170 PolarHBondContact O-N 2.82Å; L170-I243 HydrophobicContact CD1-CD1 4.3Å; L170-I243 HydrophobicContact CD2-CD1 3.23Å; L170-I243 HydrophobicContact CG-CD1 3.51Å; L170-W468 HydrophobicContact CD1-CZ3 4.41Å; L170-Y471 VanDerWaalsContact CD1-CB 3.46Å; L170-V472 HydrophobicContact CD1-CG2 4.38Å; L170-V472 HydrophobicContact CD2-CG2 4.16Å
171	D	93.6	Very high	94.7	Very high	4 Å²	4	40 Å²	40	2%	0.021	19%	0.187	C	C	.	.			trans	-91.9	153	-171.8	57.6	-46.4	0	0	0	113.2	R167 P169 Q173 R241	R167-D171 HydrophobicContact CB-CB 4.35Å; P169-D171 WeakPolarHBondContact CA-OD1 3.39Å; P169-D171 PolarHBondContact O-N 3.36Å; D171-Q173 PolarHBondContact OD2-NE2 3.19Å; D171-R241 PolarHBondContact O-N 3.25Å; D171-R241 IonicContact OD1-CZ 3.4Å; D171-R241 IonicContact OD1-NE 2.93Å; D171-R241 PolarHBondContact OD1-NE 2.82Å; D171-R241 IonicContact OD1-NH2 3.23Å; D171-R241 IonicContact OD2-CZ 2.67Å; D171-R241 IonicContact OD2-NE 2.68Å; D171-R241 IonicContact OD2-NH2 2.84Å; D171-R241 PolarHBondContact OD2-NH2 3.08Å
172	E	94.2	Very high	94.5	Very high	74 Å²	74	48.1 Å²	48.1	35%	0.346	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.6	166.9	-65.8	-174.1	177.3	0	0	108.2	R238 L239 K240	E172-R238 IonicContact OE2-CZ 3.16Å; E172-R238 IonicContact OE2-NE 2.89Å; E172-R238 PolarHBondContact OE2-NE 2.83Å; E172-R238 IonicContact OE2-NH2 3.74Å; E172-R238 PolarHBondContact OE2-NH2 2.75Å; E172-L239 CarbonylContact C-O 3.47Å; E172-L239 WeakPolarHBondContact CA-O 3.48Å; E172-K240 HydrophobicContact CG-CB 4.22Å; E172-K240 HydrophobicContact CG-CD 4.47Å; E172-K240 HydrophobicContact CG-CG 4.15Å; E172-K240 IonicContact OE1-NZ 2.86Å; E172-K240 PolarHBondContact OE1-NZ 2.81Å
173	Q	95.3	Very high	94.5	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.037	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	136.7	-175.3	-57.1	-56.7	-24.3	0	0	110.5	M163 D164 D171 R238 L239	M163-Q173 HydrophobicContact CB-CG 4.23Å; M163-Q173 HydrophobicContact CG-CB 4.21Å; M163-Q173 HydrophobicContact CG-CG 3.88Å; M163-Q173 HydrophobicContact SD-CG 4.16Å; D164-Q173 PolarHBondContact O-NE2 3.07Å; D171-Q173 PolarHBondContact OD2-NE2 3.19Å; Q173-R238 CarbonylContact O-C 3.56Å; Q173-R238 WeakPolarHBondContact O-CA 3.3Å; Q173-L239 PolarHBondContact N-O 2.94Å; Q173-L239 PolarHBondContact O-N 2.71Å
174	N	95.8	Very high	94.6	Very high	105 Å²	105	44.2 Å²	44.2	56%	0.561	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	99.6	174.3	-75.7	-18.4	0	0	0	109	F237 R238	N174-F237 WeakPolarHBondContact CA-O 3.17Å; N174-R238 WeakPolarHBondContact OD1-CG 3.45Å
175	C	96.3	Very high	94.7	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.007	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130.8	178.4	-66.5	0	0	0	0	110.4	Y82 C161 S236 F237 L239	Y82-C175 HydrophobicContact CD1-CB 3.87Å; Y82-C175 HydrophobicContact CE1-CB 3.64Å; Y82-C175 HydrophobicContact CG-CB 4.44Å; C161-C175 HydrophobicContact CB-CB 3.75Å; C161-C175 WeakPolarHBondContact CB-SG 3.35Å; C161-C175 WeakPolarHBondContact SG-CA 3.46Å; C161-C175 WeakPolarHBondContact SG-CB 3.49Å; C161-C175 CovalentContact SG-SG 2.04Å; C161-C175 PolarHBondContact SG-SG 2.95Å; C175-S236 CarbonylContact O-C 3.16Å; C175-S236 WeakPolarHBondContact O-CA 3.34Å; C175-F237 PolarHBondContact N-O 2.64Å; C175-F237 PolarHBondContact O-N 2.79Å; C175-L239 HydrophobicContact CB-CD1 4.46Å
176	T	96.4	Very high	94.8	Very high	41 Å²	41	43.2 Å²	43.2	25%	0.252	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	146	-177.8	54.5	0	0	0	0	111.1	Y82 N125 L235	Y82-T176 VanDerWaalsContact OH-C 3.25Å; Y82-T176 PolarHBondContact OH-O 2.94Å; N125-T176 PolarHBondContact ND2-O 2.8Å; T176-L235 CarbonylContact C-O 3.59Å; T176-L235 VanDerWaalsContact CA-O 3.27Å; T176-L235 WeakPolarHBondContact CA-O 2.91Å
177	L	96.7	Very high	94.9	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	114.4	162.3	180	68.1	0	0	0	107	I67 Y82 L84 M86 F123 T157 A159 S234 L235	I67-L177 HydrophobicContact CD1-CD2 4.44Å; Y82-L177 PolarHBondContact OH-N 2.77Å; L84-L177 HydrophobicContact CD2-CD1 4.29Å; L84-L177 HydrophobicContact CD2-CD2 4.24Å; M86-L177 HydrophobicContact CE-CD2 3.9Å; M86-L177 HydrophobicContact SD-CD2 3.91Å; F123-L177 HydrophobicContact CD1-CD1 3.8Å; F123-L177 HydrophobicContact CD1-CG 4.22Å; F123-L177 HydrophobicContact CE1-CD1 4.35Å; F123-L177 HydrophobicContact CE1-CD2 4.3Å; F123-L177 HydrophobicContact CE1-CG 4.49Å; F123-L177 HydrophobicContact CG-CD1 4.39Å; T157-L177 HydrophobicContact CG2-CD1 4.17Å; A159-L177 HydrophobicContact CB-CD1 4.25Å; L177-S234 WeakPolarHBondContact O-CA 3.42Å; L177-L235 HydrophobicContact CB-CB 4.39Å; L177-L235 PolarHBondContact N-O 3.1Å; L177-L235 PolarHBondContact O-N 2.76Å
178	E	96.3	Very high	95	Very high	28 Å²	28	37.8 Å²	37.8	13%	0.131	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130.3	-179.5	-62.8	-158.9	171.4	0	0	110.8	F123 L124 N125 R221 R232	F123-E178 CarbonylContact C-O 3.45Å; F123-E178 VanDerWaalsContact CA-O 3.31Å; F123-E178 WeakPolarHBondContact CA-O 3.14Å; L124-E178 HydrophobicContact CB-CB 4Å; L124-E178 HydrophobicContact CD2-CB 4.43Å; L124-E178 WeakPolarHBondContact CD2-OE2 3.2Å; L124-E178 PolarHBondContact N-O 3.26Å; N125-E178 PolarHBondContact OD1-N 3.41Å; N125-E178 VanDerWaalsContact OD1-N 3.08Å; E178-R221 IonicContact OE1-NH2 3.69Å; E178-R221 PolarHBondContact OE1-NH2 3.01Å; E178-R221 IonicContact OE2-NH2 3.49Å; E178-R221 PolarHBondContact OE2-NH2 3.37Å; E178-R232 WeakPolarHBondContact OE2-CD 3.42Å; E178-R232 IonicContact OE2-CZ 3.62Å; E178-R232 IonicContact OE2-NE 3.77Å; E178-R232 IonicContact OE2-NH1 3.21Å; E178-R232 PolarHBondContact OE2-NH1 2.93Å
179	I	96.8	Very high	95.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.1	-176.7	-56.8	162.2	0	0	0	108.3	M65 I67 F88 T121 F123 W193 R232 L233	M65-I179 HydrophobicContact CE-CG2 3.95Å; M65-I179 HydrophobicContact SD-CD1 4.4Å; M65-I179 HydrophobicContact SD-CG2 3.73Å; I67-I179 HydrophobicContact CD1-CD1 3.87Å; F88-I179 HydrophobicContact CE2-CD1 3.89Å; F88-I179 HydrophobicContact CZ-CD1 4.41Å; F88-I179 HydrophobicContact CZ-CG2 4.38Å; T121-I179 HydrophobicContact CG2-CG2 3.29Å; F123-I179 HydrophobicContact CD1-CG1 3.75Å; F123-I179 HydrophobicContact CE1-CD1 4.2Å; F123-I179 HydrophobicContact CE1-CG1 3.73Å; I179-W193 HydrophobicContact CD1-CH2 4.06Å; I179-R232 CarbonylContact O-C 3.59Å; I179-R232 WeakPolarHBondContact O-CA 3.49Å; I179-L233 HydrophobicContact CB-CB 4.34Å; I179-L233 PolarHBondContact N-O 3.13Å; I179-L233 PolarHBondContact O-N 2.96Å
180	E	96.1	Very high	95.3	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.019	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	161.3	-177.7	-169.4	173.2	-94.8	0	0	110.2	Y122 R232	Y122-E180 HydrophobicContact CD1-CB 4.36Å; Y122-E180 WeakPolarHBondContact CD1-O 3.09Å; Y122-E180 HydrophobicContact CE1-CB 3.67Å; Y122-E180 HydrophobicContact CE1-CG 4.06Å; Y122-E180 PolarHBondContact N-O 3.4Å; Y122-E180 PolarHBondContact O-N 3.4Å; Y122-E180 PolarHBondContact OH-OE2 2.86Å; E180-R232 IonicContact OE1-CZ 2.93Å; E180-R232 IonicContact OE1-NE 3.77Å; E180-R232 PolarHBondContact OE1-NE 3.42Å; E180-R232 IonicContact OE1-NH2 3.8Å; E180-R232 PolarHBondContact OE1-NH2 3.01Å; E180-R232 IonicContact OE2-NH2 2.95Å
181	S	95.3	Very high	95.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	138	169.1	171.2	0	0	0	0	109.5	D120 Y122 Y184 Y230	D120-S181 PolarHBondContact OD1-OG 2.91Å; Y122-S181 WeakPolarHBondContact CE1-O 3.48Å; S181-Y184 WeakPolarHBondContact CB-O 3.31Å; S181-Y184 WeakPolarHBondContact OG-CB 3.48Å; S181-Y184 PolarHBondContact OG-N 3.26Å; S181-Y184 VanDerWaalsContact OG-N 3.17Å; S181-Y184 PolarHBondContact OG-O 3.09Å; S181-Y230 WeakPolarHBondContact O-CD1 3.23Å
182	Y	93.4	Very high	95.6	Very high	176 Å²	176	44.7 Å²	44.7	69%	0.69	22%	0.223	S	C	*	.	S	Bend	trans	-76.8	-48.3	-175.7	-173.8	-101.6	0	0	0	112.8	D120 Y122	D120-Y182 PolarHBondContact O-N 2.95Å; Y122-Y182 HydrophobicContact CD1-CD2 4.21Å; Y122-Y182 HydrophobicContact CE1-CD2 4.21Å; Y122-Y182 HydrophobicContact CG-CD2 4.42Å
183	G	92.8	Very high	95.7	Very high	43 Å²	43	42.4 Å²	42.4	44%	0.443	21%	0.211	S	C	.	.	S	Bend	trans	-113.3	-27.3	-173.6	0	0	0	0	0	114.5	D120	D120-G183 WeakPolarHBondContact OD2-CA 3.27Å; D120-G183 PolarHBondContact OD2-N 3.14Å
184	Y	95	Very high	95.6	Very high	53 Å²	53	47.2 Å²	47.2	21%	0.208	23%	0.229	C	C	.	.			trans	-87.6	128.8	-176.8	-62.4	-71.4	0	0	0	111.8	R53 W117 D120 S181 D188 I189 Y230	R53-Y184 HydrophobicContact CB-CE1 4.2Å; R53-Y184 HydrophobicContact CG-CE1 4.47Å; W117-Y184 AromaticContact CZ2-CE2 3.99Å; W117-Y184 HydrophobicContact CZ2-CE2 3.99Å; W117-Y184 AromaticContact NE1-CZ 3.93Å; W117-Y184 PolarHBondContact NE1-OH 2.86Å; D120-Y184 HydrophobicContact CB-CE2 4.44Å; D120-Y184 VanDerWaalsContact CG-CD2 3.46Å; D120-Y184 VanDerWaalsContact OD1-CD2 3.29Å; D120-Y184 WeakPolarHBondContact OD1-CD2 3.42Å; D120-Y184 WeakPolarHBondContact OD2-CD2 3.35Å; S181-Y184 WeakPolarHBondContact CB-O 3.31Å; S181-Y184 WeakPolarHBondContact OG-CB 3.48Å; S181-Y184 PolarHBondContact OG-N 3.26Å; S181-Y184 VanDerWaalsContact OG-N 3.17Å; S181-Y184 PolarHBondContact OG-O 3.09Å; Y184-D188 HydrophobicContact CD1-CB 3.68Å; Y184-D188 HydrophobicContact CG-CB 4.12Å; Y184-I189 HydrophobicContact CD1-CD1 4.45Å; Y184-I189 HydrophobicContact CD2-CD1 3.33Å; Y184-I189 HydrophobicContact CD2-CG1 4.24Å; Y184-I189 HydrophobicContact CE2-CD1 4.05Å; Y184-I189 HydrophobicContact CG-CD1 3.58Å; Y184-I189 HydrophobicContact CG-CG1 3.97Å; Y184-Y230 VanDerWaalsContact O-CD1 3.23Å; Y184-Y230 WeakPolarHBondContact O-CD1 3.39Å
185	T	96.1	Very high	95.3	Very high	21 Å²	21	44.9 Å²	44.9	13%	0.129	23%	0.23	C	C	.	.			trans	-80.7	176.1	174.9	64.9	0	0	0	0	111	D187 D188 I189 A229 Y230	T185-D187 PolarHBondContact O-N 2.86Å; T185-D187 VanDerWaalsContact O-N 3.16Å; T185-D187 PolarHBondContact OG1-N 3.15Å; T185-D188 WeakPolarHBondContact O-CA 3.18Å; T185-D188 PolarHBondContact O-N 2.78Å; T185-I189 PolarHBondContact O-N 3.22Å; T185-A229 CarbonylContact C-O 3.56Å; T185-A229 WeakPolarHBondContact CA-O 3.3Å; T185-A229 WeakPolarHBondContact CB-O 3.35Å; T185-Y230 HydrophobicContact CG2-CE1 4.41Å; T185-Y230 HydrophobicContact CG2-CE2 4.24Å
186	T	95.8	Very high	94.9	Very high	21 Å²	21	46.7 Å²	46.7	13%	0.129	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.4	173.3	51.9	0	0	0	0	113.3	D188 I189 N222 A229 P231	T186-D188 PolarHBondContact O-N 3.24Å; T186-I189 WeakPolarHBondContact CA-O 3.34Å; T186-N222 HydrophobicContact CG2-CB 4.37Å; T186-A229 HydrophobicContact CG2-CB 4.1Å; T186-A229 PolarHBondContact N-O 2.62Å; T186-P231 HydrophobicContact CG2-CB 4.45Å
187	D	94.8	Very high	94.4	Very high	121 Å²	121	51.3 Å²	51.3	65%	0.647	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-20	175.1	-60.6	-22.2	0	0	0	111.7	R53 T185	R53-D187 PolarHBondContact NH2-O 3.45Å; T185-D187 PolarHBondContact O-N 2.86Å; T185-D187 VanDerWaalsContact O-N 3.16Å; T185-D187 PolarHBondContact OG1-N 3.15Å
188	D	95.3	Very high	94.1	Very high	41 Å²	41	59.4 Å²	59.4	22%	0.219	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-41.8	-177.2	-68.7	-52.5	0	0	0	113.8	R53 P60 V61 Y184 T185 T186	R53-D188 IonicContact CZ-OD1 2.81Å; R53-D188 IonicContact NE-OD1 3.05Å; R53-D188 PolarHBondContact NE-OD1 2.76Å; R53-D188 PolarHBondContact NH1-O 2.83Å; R53-D188 IonicContact NH2-OD1 2.83Å; R53-D188 PolarHBondContact NH2-OD1 3.39Å; P60-D188 WeakPolarHBondContact CA-O 3.25Å; V61-D188 PolarHBondContact N-O 2.66Å; Y184-D188 HydrophobicContact CD1-CB 3.68Å; Y184-D188 HydrophobicContact CG-CB 4.12Å; T185-D188 WeakPolarHBondContact O-CA 3.18Å; T185-D188 PolarHBondContact O-N 2.78Å; T186-D188 PolarHBondContact O-N 3.24Å
189	I	96.1	Very high	93.9	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	141	-175.9	-64.6	-174.9	0	0	0	109.7	V61 V63 W117 P119 Y184 T185 T186 F191 P231	V61-I189 HydrophobicContact CB-CG1 4.47Å; V61-I189 WeakPolarHBondContact O-CA 3.4Å; V63-I189 HydrophobicContact CB-CG2 4.49Å; V63-I189 HydrophobicContact CG2-CG2 3.82Å; W117-I189 HydrophobicContact CH2-CD1 3.78Å; W117-I189 HydrophobicContact CZ2-CD1 3.82Å; P119-I189 HydrophobicContact CB-CD1 4.34Å; Y184-I189 HydrophobicContact CD1-CD1 4.45Å; Y184-I189 HydrophobicContact CD2-CD1 3.33Å; Y184-I189 HydrophobicContact CD2-CG1 4.24Å; Y184-I189 HydrophobicContact CE2-CD1 4.05Å; Y184-I189 HydrophobicContact CG-CD1 3.58Å; Y184-I189 HydrophobicContact CG-CG1 3.97Å; T185-I189 PolarHBondContact O-N 3.22Å; T186-I189 WeakPolarHBondContact CA-O 3.34Å; I189-F191 HydrophobicContact CG2-CD1 3.62Å; I189-F191 HydrophobicContact CG2-CE1 3.36Å; I189-F191 HydrophobicContact CG2-CZ 4.28Å; I189-P231 WeakPolarHBondContact O-CG 3.36Å
190	E	96.3	Very high	93.8	Very high	91 Å²	91	58.5 Å²	58.5	43%	0.425	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.6	169.6	-73	-172.7	163.9	0	0	110.7	P60 V61 V63	P60-E190 HydrophobicContact CB-CG 4.13Å; P60-E190 HydrophobicContact CG-CG 4.16Å; V61-E190 PolarHBondContact O-N 2.95Å; V63-E190 PolarHBondContact N-O 3.47Å
191	F	96.8	Very high	93.7	Very high	11 Å²	11	61.2 Å²	61.2	5%	0.048	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	140	177.4	-66.8	-17.7	0	0	0	112.1	V63 M65 T121 I189 P231 L233	V63-F191 HydrophobicContact CB-CD1 3.81Å; V63-F191 HydrophobicContact CB-CE1 3.91Å; V63-F191 HydrophobicContact CG1-CD1 4.43Å; V63-F191 HydrophobicContact CG1-CE1 4.28Å; V63-F191 HydrophobicContact CG2-CD1 4.41Å; V63-F191 HydrophobicContact CG2-CE1 4.18Å; M65-F191 HydrophobicContact CE-CB 4.39Å; M65-F191 HydrophobicContact CE-CD1 3.61Å; M65-F191 HydrophobicContact CE-CD2 3.6Å; M65-F191 HydrophobicContact CE-CE1 3.51Å; M65-F191 HydrophobicContact CE-CE2 3.51Å; M65-F191 HydrophobicContact CE-CG 3.63Å; M65-F191 HydrophobicContact CE-CZ 3.47Å; M65-F191 VanDerWaalsContact CE-CZ 3.47Å; T121-F191 HydrophobicContact CG2-CE2 4.46Å; T121-F191 HydrophobicContact CG2-CZ 4.38Å; I189-F191 HydrophobicContact CG2-CD1 3.62Å; I189-F191 HydrophobicContact CG2-CE1 3.36Å; I189-F191 HydrophobicContact CG2-CZ 4.28Å; F191-P231 HydrophobicContact CB-CB 4.06Å; F191-P231 HydrophobicContact CD1-CG 4.46Å; F191-P231 HydrophobicContact CD2-CB 4.2Å; F191-P231 HydrophobicContact CD2-CG 4.01Å; F191-P231 HydrophobicContact CE2-CG 4.42Å; F191-P231 HydrophobicContact CG-CB 4.11Å; F191-P231 HydrophobicContact CG-CG 4.05Å; F191-L233 HydrophobicContact CB-CD1 3.93Å; F191-L233 HydrophobicContact CB-CD2 4.17Å; F191-L233 HydrophobicContact CB-CG 3.77Å
192	Y	96.3	Very high	93.5	Very high	100 Å²	100	61.8 Å²	61.8	39%	0.392	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	152.4	174.8	68.5	-83.4	0	0	0	112.3	C62 V63 G64 M65 R194	C62-Y192 HydrophobicContact CB-CD1 4.35Å; C62-Y192 HydrophobicContact CB-CE1 3.81Å; V63-Y192 VanDerWaalsContact C-CE1 3.5Å; V63-Y192 WeakPolarHBondContact O-CD1 3.08Å; V63-Y192 PolarHBondContact O-N 2.97Å; G64-Y192 CarbonylContact C-O 3.58Å; G64-Y192 VanDerWaalsContact CA-CE1 3.45Å; G64-Y192 WeakPolarHBondContact CA-O 3.43Å; G64-Y192 VanDerWaalsContact N-CE1 3.27Å; M65-Y192 PolarHBondContact N-O 2.75Å; Y192-R194 HydrophobicContact CE2-CB 4.36Å; Y192-R194 PolarHBondContact O-N 2.62Å
193	W	96.6	Very high	93.4	Very high	25 Å²	25	54 Å²	54	10%	0.095	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	114.2	174.2	-67.6	113.9	0	0	0	110.4	M65 I67 I179 G195 G196 A199 V200 L218 V219 L233 L235	M65-W193 HydrophobicContact CB-CE3 4.46Å; M65-W193 HydrophobicContact CB-CZ3 4.49Å; I67-W193 HydrophobicContact CD1-CH2 3.78Å; I67-W193 HydrophobicContact CD1-CZ3 3.7Å; I67-W193 HydrophobicContact CG1-CZ3 4Å; I179-W193 HydrophobicContact CD1-CH2 4.06Å; W193-G195 PolarHBondContact O-N 3.38Å; W193-G196 PolarHBondContact O-N 3.46Å; W193-A199 HydrophobicContact CB-CB 3.81Å; W193-A199 HydrophobicContact CE3-CB 3.99Å; W193-V200 HydrophobicContact CZ3-CG2 4.33Å; W193-L218 HydrophobicContact CD2-CD1 4.37Å; W193-L218 HydrophobicContact CD2-CD2 4.49Å; W193-L218 HydrophobicContact CG-CB 4.34Å; W193-L218 HydrophobicContact CG-CD1 4.31Å; W193-L218 HydrophobicContact CZ2-CD2 4.26Å; W193-V219 PolarHBondContact NE1-O 2.74Å; W193-L233 HydrophobicContact CD2-CD1 4.01Å; W193-L233 HydrophobicContact CE3-CD1 4.31Å; W193-L233 HydrophobicContact CG-CD1 4.44Å; W193-L233 HydrophobicContact CH2-CB 4.32Å; W193-L233 HydrophobicContact CZ2-CB 3.63Å; W193-L233 HydrophobicContact CZ2-CD1 4.26Å; W193-L233 HydrophobicContact CZ2-CG 4.47Å; W193-L235 HydrophobicContact CH2-CB 4.17Å; W193-L235 HydrophobicContact CZ2-CB 4.27Å
194	R	94.3	Very high	93.1	Very high	110 Å²	110	61.4 Å²	61.4	42%	0.415	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	104.6	-179	-174	178.1	-178.7	131.8	1.5	109.7	M65 Y192 A199	M65-R194 PolarHBondContact O-N 3.25Å; Y192-R194 HydrophobicContact CE2-CB 4.36Å; Y192-R194 PolarHBondContact O-N 2.62Å; R194-A199 WeakPolarHBondContact O-CA 3.05Å; R194-A199 VanDerWaalsContact O-CB 3.3Å; R194-A199 WeakPolarHBondContact O-CB 3.36Å
195	G	88.1	Confident	92.8	Very high	56 Å²	56	67.5 Å²	67.5	58%	0.577	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.3	8.9	-177.1	0	0	0	0	0	114.2	W193 D197 K198	W193-G195 PolarHBondContact O-N 3.38Å; G195-D197 PolarHBondContact O-N 3.27Å; G195-K198 PolarHBondContact O-N 3.41Å
196	G	89	Confident	92.5	Very high	39 Å²	39	67.7 Å²	67.7	40%	0.402	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	57.9	-127.3	-179.7	0	0	0	0	0	110.5	W193 K198 A199 L218	W193-G196 PolarHBondContact O-N 3.46Å; G196-K198 PolarHBondContact O-N 2.99Å; G196-K198 VanDerWaalsContact O-N 3.09Å; G196-A199 WeakPolarHBondContact O-CB 3.25Å; G196-A199 PolarHBondContact O-N 3.06Å; G196-L218 WeakPolarHBondContact O-CD1 3.29Å
197	D	84.8	Confident	91.9	Very high	137 Å²	137	75.7 Å²	75.7	73%	0.733	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-59.9	-20.9	178.2	-57.8	-31.2	0	0	0	113.8	G195 A199	G195-D197 PolarHBondContact O-N 3.27Å; D197-A199 VanDerWaalsContact C-N 3.35Å
198	K	89.8	Confident	91.6	Very high	171 Å²	171	71 Å²	71	74%	0.743	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-89.8	4.2	177.2	-60.6	-174.9	179.8	-178.4	0	113.8	G195 G196 V200	G195-K198 PolarHBondContact O-N 3.41Å; G196-K198 PolarHBondContact O-N 2.99Å; G196-K198 VanDerWaalsContact O-N 3.09Å; K198-V200 PolarHBondContact O-N 2.04Å
199	A	93.5	Very high	91	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-72.6	-6.8	176.6	0	0	0	0	0	113.2	N66 I67 W193 R194 G196 D197 L218	N66-A199 WeakPolarHBondContact CA-O 3.43Å; N66-A199 VanDerWaalsContact OD1-C 3.27Å; N66-A199 PolarHBondContact OD1-O 2.75Å; I67-A199 PolarHBondContact N-O 2.83Å; W193-A199 HydrophobicContact CB-CB 3.81Å; W193-A199 HydrophobicContact CE3-CB 3.99Å; R194-A199 WeakPolarHBondContact O-CA 3.05Å; R194-A199 VanDerWaalsContact O-CB 3.3Å; R194-A199 WeakPolarHBondContact O-CB 3.36Å; G196-A199 WeakPolarHBondContact O-CB 3.25Å; G196-A199 PolarHBondContact O-N 3.06Å; D197-A199 VanDerWaalsContact C-N 3.35Å; A199-L218 HydrophobicContact CB-CD1 4.21Å
200	V	94.9	Very high	90.6	Very high	9 Å²	9	79.2 Å²	79.2	6%	0.055	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	122.3	173.2	-178.8	0	0	0	0	109.5	I67 I69 W193 K198 V203 L218 L235	I67-V200 HydrophobicContact CB-CG2 4.29Å; I67-V200 CarbonylContact O-C 3.54Å; I67-V200 VanDerWaalsContact O-CA 3.26Å; I67-V200 WeakPolarHBondContact O-CA 3.45Å; I69-V200 HydrophobicContact CD1-CG1 3.99Å; I69-V200 HydrophobicContact CG1-CG1 4.1Å; W193-V200 HydrophobicContact CZ3-CG2 4.33Å; K198-V200 PolarHBondContact O-N 2.04Å; V200-V203 HydrophobicContact CG1-CG2 3.76Å; V200-L218 HydrophobicContact CB-CD2 4.31Å; V200-L218 HydrophobicContact CG2-CD1 4.18Å; V200-L218 HydrophobicContact CG2-CD2 3.43Å; V200-L218 VanDerWaalsContact CG2-CD2 3.43Å; V200-L218 HydrophobicContact CG2-CG 4.43Å; V200-L235 HydrophobicContact CG1-CD1 4.43Å; V200-L235 HydrophobicContact CG1-CD2 4.19Å; V200-L235 HydrophobicContact CG2-CD1 4.19Å; V200-L235 HydrophobicContact CG2-CD2 4.05Å
201	T	94.1	Very high	90.4	Very high	60 Å²	60	75.1 Å²	75.1	37%	0.368	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	169.9	179.7	61.3	0	0	0	0	111.2	I67 D68 I69 V203	I67-T201 PolarHBondContact O-N 3.45Å; D68-T201 WeakPolarHBondContact CB-OG1 3.31Å; D68-T201 WeakPolarHBondContact OD1-CB 3.24Å; D68-T201 PolarHBondContact OD1-OG1 2.86Å; I69-T201 PolarHBondContact N-O 2.98Å; T201-V203 VanDerWaalsContact C-N 3.27Å; T201-V203 PolarHBondContact O-N 2.94Å
202	G	90.8	Very high	90.2	Very high	12 Å²	12	76.7 Å²	76.7	12%	0.124	39%	0.394	C	S	.	.	S	Bend	trans	87.8	-21	176.1	0	0	0	0	0	114.9	D68 E204 R205 I206	D68-G202 PolarHBondContact OD1-N 2.66Å; G202-E204 VanDerWaalsContact C-N 3.28Å; G202-E204 PolarHBondContact O-N 2.99Å; G202-R205 PolarHBondContact O-N 2.99Å; G202-R205 VanDerWaalsContact O-N 3.07Å; G202-I206 WeakPolarHBondContact O-CG1 3.21Å
203	V	90.3	Very high	90.1	Very high	14 Å²	14	73.8 Å²	73.8	9%	0.085	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-52.7	-41.6	-178	-166.3	0	0	0	0	113.3	I69 V200 T201 R205 I206 I213	I69-V203 HydrophobicContact CD1-CG2 3.89Å; I69-V203 HydrophobicContact CG1-CG2 4.44Å; V200-V203 HydrophobicContact CG1-CG2 3.76Å; T201-V203 VanDerWaalsContact C-N 3.27Å; T201-V203 PolarHBondContact O-N 2.94Å; V203-R205 PolarHBondContact O-N 3.42Å; V203-I206 PolarHBondContact O-N 3.49Å; V203-I213 HydrophobicContact CG1-CD1 3.8Å; V203-I213 HydrophobicContact CG1-CG2 3.88Å
204	E	86.9	Confident	89.9	Confident	197 Å²	197	76.2 Å²	76.2	92%	0.921	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-65.8	-21.6	-176.8	-63	177.3	178	0	0	113.9	G202	G202-E204 VanDerWaalsContact C-N 3.28Å; G202-E204 PolarHBondContact O-N 2.99Å
205	R	88.1	Confident	89.8	Confident	181 Å²	181	73.6 Å²	73.6	68%	0.683	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-92.9	-0.7	-178.6	-63.8	-178.1	-71.7	120.1	-1.7	112.7	D68 G202 V203	D68-R205 IonicContact OD1-NH2 3.13Å; G202-R205 PolarHBondContact O-N 2.99Å; G202-R205 VanDerWaalsContact O-N 3.07Å; V203-R205 PolarHBondContact O-N 3.42Å
206	I	89.8	Confident	90.1	Very high	26 Å²	26	74.1 Å²	74.1	13%	0.133	38%	0.382	C	S	.	.			trans	-93.4	118.7	-173.3	-60	173.6	0	0	0	109.2	I69 G202 V203 L208 I213	I69-I206 HydrophobicContact CB-CD1 3.81Å; I69-I206 HydrophobicContact CG2-CD1 3.34Å; G202-I206 WeakPolarHBondContact O-CG1 3.21Å; V203-I206 PolarHBondContact O-N 3.49Å; I206-L208 HydrophobicContact CG2-CG 4.32Å; I206-I213 HydrophobicContact CB-CD1 4.21Å; I206-I213 HydrophobicContact CG2-CD1 4.19Å
207	E	84.6	Confident	90.4	Very high	189 Å²	189	79.1 Å²	79.1	88%	0.883	39%	0.389	S	S	*	.			trans	-108.9	125.1	170	-66.2	-176.8	178.8	0	0	109.4
208	L	87.9	Confident	90.9	Very high	22 Å²	22	74.3 Å²	74.3	12%	0.115	36%	0.363	C	S	.	.			trans	-105.4	135.1	177.8	-80.2	161.4	0	0	0	108.8	I72 I206 Q210 F211 I213 L239	I72-L208 HydrophobicContact CB-CD1 4.24Å; I72-L208 HydrophobicContact CB-CD2 3.92Å; I72-L208 HydrophobicContact CB-CG 4.41Å; I72-L208 HydrophobicContact CD1-CD1 4.3Å; I72-L208 HydrophobicContact CG2-CD1 4.25Å; I72-L208 HydrophobicContact CG2-CD2 3.88Å; I72-L208 WeakPolarHBondContact O-CD2 3.14Å; I206-L208 HydrophobicContact CG2-CG 4.32Å; L208-Q210 VanDerWaalsContact C-N 3.35Å; L208-Q210 PolarHBondContact O-N 3.37Å; L208-F211 HydrophobicContact CB-CB 4.16Å; L208-F211 WeakPolarHBondContact CB-O 3.46Å; L208-F211 HydrophobicContact CD1-CB 4.1Å; L208-I213 HydrophobicContact CD1-CD1 4.47Å; L208-I213 HydrophobicContact CD1-CG1 4.14Å; L208-L239 HydrophobicContact CD1-CD2 4.32Å
209	P	83.3	Confident	91.1	Very high	123 Å²	123	69.5 Å²	69.5	80%	0.799	35%	0.348	S	S	*	.	S	Bend	trans	-62.5	-39.5	-179	-25.2	33.8	0	0	0	113.7
210	Q	87.4	Confident	91.1	Very high	91 Å²	91	72.8 Å²	72.8	43%	0.425	37%	0.37	S	S	.	.	S	Bend	trans	-105	-13.7	-173	-67.9	-180	-41.7	0	0	113.9	L208 N242	L208-Q210 VanDerWaalsContact C-N 3.35Å; L208-Q210 PolarHBondContact O-N 3.37Å; Q210-N242 PolarHBondContact O-N 3.31Å
211	F	92.2	Very high	91.1	Very high	5 Å²	5	77.4 Å²	77.4	2%	0.022	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	162.2	-173.4	-68.4	-89.4	0	0	0	110.9	V75 L208 L239 K240 R241	V75-F211 HydrophobicContact CB-CD2 4.15Å; V75-F211 HydrophobicContact CB-CE2 3.72Å; V75-F211 HydrophobicContact CB-CZ 4.37Å; V75-F211 HydrophobicContact CG1-CD2 4.46Å; V75-F211 HydrophobicContact CG1-CE2 3.76Å; V75-F211 HydrophobicContact CG1-CZ 3.89Å; V75-F211 HydrophobicContact CG2-CD2 4.12Å; V75-F211 HydrophobicContact CG2-CE2 4.19Å; L208-F211 HydrophobicContact CB-CB 4.16Å; L208-F211 WeakPolarHBondContact CB-O 3.46Å; L208-F211 HydrophobicContact CD1-CB 4.1Å; F211-L239 HydrophobicContact CD1-CB 4.03Å; F211-K240 CarbonylContact C-O 3.52Å; F211-K240 WeakPolarHBondContact CA-O 3.1Å; F211-R241 HydrophobicContact CD1-CB 4.17Å; F211-R241 HydrophobicContact CE1-CB 4.07Å; F211-R241 HydrophobicContact CE1-CG 4.34Å; F211-R241 VanDerWaalsContact CZ-NH2 3.35Å
212	S	92.6	Very high	91.1	Very high	43 Å²	43	79.4 Å²	79.4	30%	0.301	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	141.3	169.1	54.1	0	0	0	0	108.1	L239 K240	S212-L239 WeakPolarHBondContact O-CA 3.32Å; S212-K240 PolarHBondContact N-O 3.22Å; S212-K240 PolarHBondContact O-N 3.28Å; S212-K240 PolarHBondContact OG-O 3.49Å; S212-K240 VanDerWaalsContact OG-O 3.09Å
213	I	93.5	Very high	91.2	Very high	40 Å²	40	80.3 Å²	80.3	21%	0.205	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	114.3	176.4	-52.7	174.7	0	0	0	107	I72 V203 I206 L208 L239	I72-I213 HydrophobicContact CD1-CD1 3.9Å; V203-I213 HydrophobicContact CG1-CD1 3.8Å; V203-I213 HydrophobicContact CG1-CG2 3.88Å; I206-I213 HydrophobicContact CB-CD1 4.21Å; I206-I213 HydrophobicContact CG2-CD1 4.19Å; L208-I213 HydrophobicContact CD1-CD1 4.47Å; L208-I213 HydrophobicContact CD1-CG1 4.14Å; I213-L239 HydrophobicContact CG1-CD2 3.85Å
214	V	92.5	Very high	91.4	Very high	75 Å²	75	85.2 Å²	85.2	46%	0.455	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-49.2	-179.4	179.8	0	0	0	0	110.5	R238 K240	V214-R238 HydrophobicContact CB-CB 4.37Å; V214-R238 HydrophobicContact CB-CG 4.22Å; V214-R238 PolarHBondContact N-O 3.21Å; V214-K240 HydrophobicContact CG2-CB 3.47Å; V214-K240 VanDerWaalsContact CG2-CB 3.47Å; V214-K240 HydrophobicContact CG2-CD 4.21Å
215	E	92.7	Very high	91.7	Very high	56 Å²	56	80.3 Å²	80.3	26%	0.262	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	159.2	180	59.5	179.5	151.5	0	0	110	R217 R238	E215-R217 VanDerWaalsContact CD-NH2 3.27Å; E215-R217 IonicContact OE1-CZ 2.83Å; E215-R217 IonicContact OE1-NE 3.8Å; E215-R217 IonicContact OE1-NH2 3.29Å; E215-R217 PolarHBondContact OE1-NH2 2.95Å; E215-R217 IonicContact OE2-CZ 3.46Å; E215-R217 IonicContact OE2-NE 3.83Å; E215-R217 PolarHBondContact OE2-NE 2.83Å; E215-R217 IonicContact OE2-NH2 2.97Å; E215-R217 PolarHBondContact OE2-NH2 2.84Å; E215-R238 HydrophobicContact CG-CB 3.63Å; E215-R238 HydrophobicContact CG-CG 4.36Å; E215-R238 PolarHBondContact O-N 2.82Å; E215-R238 WeakPolarHBondContact OE1-CD 3.4Å; E215-R238 IonicContact OE1-CZ 3.56Å; E215-R238 IonicContact OE1-NE 3.4Å; E215-R238 IonicContact OE1-NH1 2.77Å; E215-R238 PolarHBondContact OE1-NH1 3.07Å
216	H	93.3	Very high	91.9	Very high	67 Å²	67	77.3 Å²	77.3	31%	0.31	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	147.2	166.8	66.5	-81.6	0	0	0	109.7	L235 S236 F237	H216-L235 HydrophobicContact CB-CD1 4.22Å; H216-S236 CarbonylContact C-O 3.59Å; H216-S236 WeakPolarHBondContact CA-O 3.37Å; H216-F237 HydrophobicContact CB-CD1 4.13Å; H216-F237 HydrophobicContact CB-CE1 4.4Å
217	R	94.8	Very high	92	Very high	144 Å²	144	81.1 Å²	81.1	54%	0.543	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.7	-178.7	-63.6	-175.8	-176.2	175.6	1.8	110.9	E215 S236	E215-R217 VanDerWaalsContact CD-NH2 3.27Å; E215-R217 IonicContact OE1-CZ 2.83Å; E215-R217 IonicContact OE1-NE 3.8Å; E215-R217 IonicContact OE1-NH2 3.29Å; E215-R217 PolarHBondContact OE1-NH2 2.95Å; E215-R217 IonicContact OE2-CZ 3.46Å; E215-R217 IonicContact OE2-NE 3.83Å; E215-R217 PolarHBondContact OE2-NE 2.83Å; E215-R217 IonicContact OE2-NH2 2.97Å; E215-R217 PolarHBondContact OE2-NH2 2.84Å; R217-S236 PolarHBondContact N-O 3.06Å; R217-S236 PolarHBondContact O-N 2.82Å
218	L	95.4	Very high	92.5	Very high	35 Å²	35	73.2 Å²	73.2	18%	0.183	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	127.2	177.8	-52.3	-177.9	0	0	0	109.4	W193 G196 A199 V200 L235	W193-L218 HydrophobicContact CD2-CD1 4.37Å; W193-L218 HydrophobicContact CD2-CD2 4.49Å; W193-L218 HydrophobicContact CG-CB 4.34Å; W193-L218 HydrophobicContact CG-CD1 4.31Å; W193-L218 HydrophobicContact CZ2-CD2 4.26Å; G196-L218 WeakPolarHBondContact O-CD1 3.29Å; A199-L218 HydrophobicContact CB-CD1 4.21Å; V200-L218 HydrophobicContact CB-CD2 4.31Å; V200-L218 HydrophobicContact CG2-CD1 4.18Å; V200-L218 HydrophobicContact CG2-CD2 3.43Å; V200-L218 VanDerWaalsContact CG2-CD2 3.43Å; V200-L218 HydrophobicContact CG2-CG 4.43Å; L218-L235 HydrophobicContact CD2-CB 4.32Å; L218-L235 HydrophobicContact CD2-CD1 3.52Å; L218-L235 HydrophobicContact CD2-CG 4.42Å
219	V	93.8	Very high	92.9	Very high	71 Å²	71	73.4 Å²	73.4	43%	0.43	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138.8	177.7	-177.7	0	0	0	0	108.6	W193 S234	W193-V219 PolarHBondContact NE1-O 2.74Å; V219-S234 PolarHBondContact N-O 3.5Å; V219-S234 PolarHBondContact O-N 2.7Å
220	S	94.7	Very high	93.5	Very high	68 Å²	68	68.8 Å²	68.8	48%	0.476	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132	167.8	-178.8	0	0	0	0	108.2	L233	S220-L233 WeakPolarHBondContact OG-CD2 3.32Å
221	R	93.9	Very high	93.9	Very high	107 Å²	107	64.6 Å²	64.6	40%	0.404	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	152.4	179.7	63.1	179.4	176.5	174.3	-1.5	110.7	E178 V223 R232	E178-R221 IonicContact OE1-NH2 3.69Å; E178-R221 PolarHBondContact OE1-NH2 3.01Å; E178-R221 IonicContact OE2-NH2 3.49Å; E178-R221 PolarHBondContact OE2-NH2 3.37Å; R221-V223 HydrophobicContact CG-CG2 4.26Å; R221-R232 HydrophobicContact CG-CB 4.14Å; R221-R232 PolarHBondContact N-O 3.13Å; R221-R232 CarbonylContact O-C 3.41Å; R221-R232 WeakPolarHBondContact O-CA 3.46Å; R221-R232 WeakPolarHBondContact O-CB 3.47Å; R221-R232 PolarHBondContact O-N 3.03Å
222	N	94.6	Very high	94.1	Very high	102 Å²	102	65.4 Å²	65.4	55%	0.545	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	132	169.5	-65.7	-10.2	0	0	0	108.9	T186 Y230	T186-N222 HydrophobicContact CG2-CB 4.37Å; N222-Y230 WeakPolarHBondContact CA-O 3.32Å
223	V	93.8	Very high	94.2	Very high	31 Å²	31	63.3 Å²	63.3	19%	0.188	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.4	179.7	-174.9	0	0	0	0	108.8	R221 F225 A229 Y230 R232	R221-V223 HydrophobicContact CG-CG2 4.26Å; V223-F225 HydrophobicContact CB-CE2 4.03Å; V223-F225 HydrophobicContact CB-CZ 4.5Å; V223-F225 HydrophobicContact CG1-CD2 4.3Å; V223-F225 HydrophobicContact CG1-CE1 4.42Å; V223-F225 HydrophobicContact CG1-CE2 3.68Å; V223-F225 HydrophobicContact CG1-CZ 3.76Å; V223-A229 CarbonylContact O-C 3.51Å; V223-A229 WeakPolarHBondContact O-CA 3.36Å; V223-Y230 PolarHBondContact N-O 2.85Å; V223-Y230 PolarHBondContact O-N 3.15Å; V223-R232 HydrophobicContact CG2-CB 4.08Å
224	V	94.8	Very high	94.3	Very high	117 Å²	117	62 Å²	62	71%	0.709	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	124.2	-176.6	-175.3	0	0	0	0	109.6	A229	V224-A229 HydrophobicContact CG2-CB 4.24Å
225	F	92.6	Very high	94.5	Very high	94 Å²	94	58.4 Å²	58.4	41%	0.412	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	174.2	172.7	-62.6	-84.1	0	0	0	110.4	V223 T227 G228 Y230	V223-F225 HydrophobicContact CB-CE2 4.03Å; V223-F225 HydrophobicContact CB-CZ 4.5Å; V223-F225 HydrophobicContact CG1-CD2 4.3Å; V223-F225 HydrophobicContact CG1-CE1 4.42Å; V223-F225 HydrophobicContact CG1-CE2 3.68Å; V223-F225 HydrophobicContact CG1-CZ 3.76Å; F225-T227 PolarHBondContact O-N 3.48Å; F225-G228 PolarHBondContact N-O 2.74Å; F225-G228 PolarHBondContact O-N 2.74Å; F225-Y230 HydrophobicContact CB-CE2 4.45Å; F225-Y230 AromaticContact CD2-CD2 3.58Å; F225-Y230 HydrophobicContact CD2-CD2 3.58Å; F225-Y230 HydrophobicContact CD2-CE2 4.09Å; F225-Y230 HydrophobicContact CD2-CG 4.33Å; F225-Y230 HydrophobicContact CE2-CD2 4.21Å
226	A	92	Very high	94.6	Very high	117 Å²	117	56.9 Å²	56.9	97%	0.967	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.6	174.5	0	0	0	0	0	113.1
227	T	92.4	Very high	94.7	Very high	106 Å²	106	53.8 Å²	53.8	65%	0.65	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-14.9	179.8	51.2	0	0	0	0	113.8	F225 Y230	F225-T227 PolarHBondContact O-N 3.48Å; T227-Y230 WeakPolarHBondContact OG1-CE2 3.18Å; T227-Y230 PolarHBondContact OG1-OH 2.87Å; T227-Y230 VanDerWaalsContact OG1-OH 3.04Å
228	G	93.9	Very high	94.7	Very high	23 Å²	23	50.8 Å²	50.8	24%	0.237	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	146.3	-179.1	-176.3	0	0	0	0	0	112.9	F225 Y230	F225-G228 PolarHBondContact N-O 2.74Å; F225-G228 PolarHBondContact O-N 2.74Å; G228-Y230 WeakPolarHBondContact O-CD2 3.21Å
229	A	96.1	Very high	94.7	Very high	27 Å²	27	49.1 Å²	49.1	22%	0.223	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	137.5	171.2	0	0	0	0	0	110.1	T185 T186 V223 V224	T185-A229 CarbonylContact C-O 3.56Å; T185-A229 WeakPolarHBondContact CA-O 3.3Å; T185-A229 WeakPolarHBondContact CB-O 3.35Å; T186-A229 HydrophobicContact CG2-CB 4.1Å; T186-A229 PolarHBondContact N-O 2.62Å; V223-A229 CarbonylContact O-C 3.51Å; V223-A229 WeakPolarHBondContact O-CA 3.36Å; V224-A229 HydrophobicContact CG2-CB 4.24Å
230	Y	96.4	Very high	94.7	Very high	25 Å²	25	50.5 Å²	50.5	10%	0.098	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	138.6	-178.2	-68.7	-103.4	0	0	0	110.5	S181 Y184 T185 N222 V223 F225 T227 G228	S181-Y230 WeakPolarHBondContact O-CD1 3.23Å; Y184-Y230 VanDerWaalsContact O-CD1 3.23Å; Y184-Y230 WeakPolarHBondContact O-CD1 3.39Å; T185-Y230 HydrophobicContact CG2-CE1 4.41Å; T185-Y230 HydrophobicContact CG2-CE2 4.24Å; N222-Y230 WeakPolarHBondContact CA-O 3.32Å; V223-Y230 PolarHBondContact N-O 2.85Å; V223-Y230 PolarHBondContact O-N 3.15Å; F225-Y230 HydrophobicContact CB-CE2 4.45Å; F225-Y230 AromaticContact CD2-CD2 3.58Å; F225-Y230 HydrophobicContact CD2-CD2 3.58Å; F225-Y230 HydrophobicContact CD2-CE2 4.09Å; F225-Y230 HydrophobicContact CD2-CG 4.33Å; F225-Y230 HydrophobicContact CE2-CD2 4.21Å; T227-Y230 WeakPolarHBondContact OG1-CE2 3.18Å; T227-Y230 PolarHBondContact OG1-OH 2.87Å; T227-Y230 VanDerWaalsContact OG1-OH 3.04Å; G228-Y230 WeakPolarHBondContact O-CD2 3.21Å
231	P	95.5	Very high	94.7	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.019	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	128.4	176.4	32.9	-36.2	0	0	0	110.3	T186 I189 F191	T186-P231 HydrophobicContact CG2-CB 4.45Å; I189-P231 WeakPolarHBondContact O-CG 3.36Å; F191-P231 HydrophobicContact CB-CB 4.06Å; F191-P231 HydrophobicContact CD1-CG 4.46Å; F191-P231 HydrophobicContact CD2-CB 4.2Å; F191-P231 HydrophobicContact CD2-CG 4.01Å; F191-P231 HydrophobicContact CE2-CG 4.42Å; F191-P231 HydrophobicContact CG-CB 4.11Å; F191-P231 HydrophobicContact CG-CG 4.05Å
232	R	96	Very high	94.6	Very high	22 Å²	22	46 Å²	46	8%	0.083	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.6	178.6	-173.5	179.9	-63.4	-172.7	5.5	111.8	L124 E178 I179 E180 R221 V223	L124-R232 VanDerWaalsContact CD2-NH1 3.31Å; E178-R232 WeakPolarHBondContact OE2-CD 3.42Å; E178-R232 IonicContact OE2-CZ 3.62Å; E178-R232 IonicContact OE2-NE 3.77Å; E178-R232 IonicContact OE2-NH1 3.21Å; E178-R232 PolarHBondContact OE2-NH1 2.93Å; I179-R232 CarbonylContact O-C 3.59Å; I179-R232 WeakPolarHBondContact O-CA 3.49Å; E180-R232 IonicContact OE1-CZ 2.93Å; E180-R232 IonicContact OE1-NE 3.77Å; E180-R232 PolarHBondContact OE1-NE 3.42Å; E180-R232 IonicContact OE1-NH2 3.8Å; E180-R232 PolarHBondContact OE1-NH2 3.01Å; E180-R232 IonicContact OE2-NH2 2.95Å; R221-R232 HydrophobicContact CG-CB 4.14Å; R221-R232 PolarHBondContact N-O 3.13Å; R221-R232 CarbonylContact O-C 3.41Å; R221-R232 WeakPolarHBondContact O-CA 3.46Å; R221-R232 WeakPolarHBondContact O-CB 3.47Å; R221-R232 PolarHBondContact O-N 3.03Å; V223-R232 HydrophobicContact CG2-CB 4.08Å
233	L	96.4	Very high	94.5	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	142.1	167.8	-59.7	-173.6	0	0	0	110	M65 I179 F191 W193 S220	M65-L233 HydrophobicContact CB-CD1 4.06Å; M65-L233 HydrophobicContact CG-CD1 4.05Å; M65-L233 HydrophobicContact SD-CD1 3.67Å; I179-L233 HydrophobicContact CB-CB 4.34Å; I179-L233 PolarHBondContact N-O 3.13Å; I179-L233 PolarHBondContact O-N 2.96Å; F191-L233 HydrophobicContact CB-CD1 3.93Å; F191-L233 HydrophobicContact CB-CD2 4.17Å; F191-L233 HydrophobicContact CB-CG 3.77Å; W193-L233 HydrophobicContact CD2-CD1 4.01Å; W193-L233 HydrophobicContact CE3-CD1 4.31Å; W193-L233 HydrophobicContact CG-CD1 4.44Å; W193-L233 HydrophobicContact CH2-CB 4.32Å; W193-L233 HydrophobicContact CZ2-CB 3.63Å; W193-L233 HydrophobicContact CZ2-CD1 4.26Å; W193-L233 HydrophobicContact CZ2-CG 4.47Å; S220-L233 WeakPolarHBondContact OG-CD2 3.32Å
234	S	95.9	Very high	94.3	Very high	11 Å²	11	43.5 Å²	43.5	8%	0.077	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	128.7	177.5	-173.4	0	0	0	0	110.1	L177 V219	L177-S234 WeakPolarHBondContact O-CA 3.42Å; V219-S234 PolarHBondContact N-O 3.5Å; V219-S234 PolarHBondContact O-N 2.7Å
235	L	95.9	Very high	94.1	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115	171.9	164.6	57.6	0	0	0	108.1	I67 I69 T176 L177 W193 V200 H216 L218 F237	I67-L235 HydrophobicContact CD1-CD2 4.32Å; I69-L235 HydrophobicContact CD1-CD2 4.41Å; T176-L235 CarbonylContact C-O 3.59Å; T176-L235 VanDerWaalsContact CA-O 3.27Å; T176-L235 WeakPolarHBondContact CA-O 2.91Å; L177-L235 HydrophobicContact CB-CB 4.39Å; L177-L235 PolarHBondContact N-O 3.1Å; L177-L235 PolarHBondContact O-N 2.76Å; W193-L235 HydrophobicContact CH2-CB 4.17Å; W193-L235 HydrophobicContact CZ2-CB 4.27Å; V200-L235 HydrophobicContact CG1-CD1 4.43Å; V200-L235 HydrophobicContact CG1-CD2 4.19Å; V200-L235 HydrophobicContact CG2-CD1 4.19Å; V200-L235 HydrophobicContact CG2-CD2 4.05Å; H216-L235 HydrophobicContact CB-CD1 4.22Å; L218-L235 HydrophobicContact CD2-CB 4.32Å; L218-L235 HydrophobicContact CD2-CD1 3.52Å; L218-L235 HydrophobicContact CD2-CG 4.42Å; L235-F237 HydrophobicContact CD1-CE1 4.04Å; L235-F237 HydrophobicContact CD1-CZ 3.97Å; L235-F237 HydrophobicContact CD2-CE1 4.17Å; L235-F237 HydrophobicContact CD2-CE2 3.99Å; L235-F237 HydrophobicContact CD2-CZ 3.41Å; L235-F237 VanDerWaalsContact CD2-CZ 3.41Å; L235-F237 HydrophobicContact CG-CE1 4.14Å; L235-F237 HydrophobicContact CG-CE2 3.82Å; L235-F237 HydrophobicContact CG-CZ 3.55Å
236	S	95.1	Very high	94.1	Very high	24 Å²	24	39.7 Å²	39.7	17%	0.168	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	131.2	179.9	-174.9	0	0	0	0	110.8	C175 H216 R217	C175-S236 CarbonylContact O-C 3.16Å; C175-S236 WeakPolarHBondContact O-CA 3.34Å; H216-S236 CarbonylContact C-O 3.59Å; H216-S236 WeakPolarHBondContact CA-O 3.37Å; R217-S236 PolarHBondContact N-O 3.06Å; R217-S236 PolarHBondContact O-N 2.82Å
237	F	94.9	Very high	94.2	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	127	170.9	-55.5	-77.4	0	0	0	109.7	I69 Y82 N174 C175 H216 L235 L239	I69-F237 HydrophobicContact CD1-CE1 3.36Å; I69-F237 HydrophobicContact CD1-CZ 3.3Å; Y82-F237 HydrophobicContact CE2-CD2 4.11Å; Y82-F237 HydrophobicContact CE2-CE2 4.2Å; N174-F237 WeakPolarHBondContact CA-O 3.17Å; C175-F237 PolarHBondContact N-O 2.64Å; C175-F237 PolarHBondContact O-N 2.79Å; H216-F237 HydrophobicContact CB-CD1 4.13Å; H216-F237 HydrophobicContact CB-CE1 4.4Å; L235-F237 HydrophobicContact CD1-CE1 4.04Å; L235-F237 HydrophobicContact CD1-CZ 3.97Å; L235-F237 HydrophobicContact CD2-CE1 4.17Å; L235-F237 HydrophobicContact CD2-CE2 3.99Å; L235-F237 HydrophobicContact CD2-CZ 3.41Å; L235-F237 VanDerWaalsContact CD2-CZ 3.41Å; L235-F237 HydrophobicContact CG-CE1 4.14Å; L235-F237 HydrophobicContact CG-CE2 3.82Å; L235-F237 HydrophobicContact CG-CZ 3.55Å; F237-L239 HydrophobicContact CB-CD2 4.18Å; F237-L239 HydrophobicContact CB-CG 4.28Å
238	R	95.3	Very high	94.1	Very high	81 Å²	81	38 Å²	38	31%	0.306	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	104.6	167.8	-172.6	173.3	179.9	-176.6	-2.1	109	E172 Q173 N174 V214 E215	E172-R238 IonicContact OE2-CZ 3.16Å; E172-R238 IonicContact OE2-NE 2.89Å; E172-R238 PolarHBondContact OE2-NE 2.83Å; E172-R238 IonicContact OE2-NH2 3.74Å; E172-R238 PolarHBondContact OE2-NH2 2.75Å; Q173-R238 CarbonylContact O-C 3.56Å; Q173-R238 WeakPolarHBondContact O-CA 3.3Å; N174-R238 WeakPolarHBondContact OD1-CG 3.45Å; V214-R238 HydrophobicContact CB-CB 4.37Å; V214-R238 HydrophobicContact CB-CG 4.22Å; V214-R238 PolarHBondContact N-O 3.21Å; E215-R238 HydrophobicContact CG-CB 3.63Å; E215-R238 HydrophobicContact CG-CG 4.36Å; E215-R238 PolarHBondContact O-N 2.82Å; E215-R238 WeakPolarHBondContact OE1-CD 3.4Å; E215-R238 IonicContact OE1-CZ 3.56Å; E215-R238 IonicContact OE1-NE 3.4Å; E215-R238 IonicContact OE1-NH1 2.77Å; E215-R238 PolarHBondContact OE1-NH1 3.07Å
239	L	94.8	Very high	94	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	125.7	-178.8	-57.9	177.5	0	0	0	109.8	V75 E172 Q173 C175 L208 F211 S212 I213 F237	V75-L239 HydrophobicContact CG2-CD1 4.33Å; E172-L239 CarbonylContact C-O 3.47Å; E172-L239 WeakPolarHBondContact CA-O 3.48Å; Q173-L239 PolarHBondContact N-O 2.94Å; Q173-L239 PolarHBondContact O-N 2.71Å; C175-L239 HydrophobicContact CB-CD1 4.46Å; L208-L239 HydrophobicContact CD1-CD2 4.32Å; F211-L239 HydrophobicContact CD1-CB 4.03Å; S212-L239 WeakPolarHBondContact O-CA 3.32Å; I213-L239 HydrophobicContact CG1-CD2 3.85Å; F237-L239 HydrophobicContact CB-CD2 4.18Å; F237-L239 HydrophobicContact CB-CG 4.28Å
240	K	94.1	Very high	93.8	Very high	99 Å²	99	41.3 Å²	41.3	43%	0.43	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.9	175	178.2	170.2	-170.3	152	0	110.5	E172 F211 S212 V214	E172-K240 HydrophobicContact CG-CB 4.22Å; E172-K240 HydrophobicContact CG-CD 4.47Å; E172-K240 HydrophobicContact CG-CG 4.15Å; E172-K240 IonicContact OE1-NZ 2.86Å; E172-K240 PolarHBondContact OE1-NZ 2.81Å; F211-K240 CarbonylContact C-O 3.52Å; F211-K240 WeakPolarHBondContact CA-O 3.1Å; S212-K240 PolarHBondContact N-O 3.22Å; S212-K240 PolarHBondContact O-N 3.28Å; S212-K240 PolarHBondContact OG-O 3.49Å; S212-K240 VanDerWaalsContact OG-O 3.09Å; V214-K240 HydrophobicContact CG2-CB 3.47Å; V214-K240 VanDerWaalsContact CG2-CB 3.47Å; V214-K240 HydrophobicContact CG2-CD 4.21Å
241	R	94.1	Very high	93.7	Very high	11 Å²	11	40.2 Å²	40.2	4%	0.042	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	139	-177.3	-168.5	179.6	-59.1	-81.8	0.8	112.2	E77 P169 D171 F211 I243 F246	E77-R241 IonicContact OE1-CZ 3.86Å; E77-R241 IonicContact OE1-NH1 2.66Å; E77-R241 PolarHBondContact OE1-NH1 2.92Å; E77-R241 IonicContact OE1-NH2 3.95Å; E77-R241 PolarHBondContact OE1-NH2 3.48Å; E77-R241 VanDerWaalsContact OE1-NH2 3.13Å; P169-R241 WeakPolarHBondContact O-CD 3.43Å; D171-R241 PolarHBondContact O-N 3.25Å; D171-R241 IonicContact OD1-CZ 3.4Å; D171-R241 IonicContact OD1-NE 2.93Å; D171-R241 PolarHBondContact OD1-NE 2.82Å; D171-R241 IonicContact OD1-NH2 3.23Å; D171-R241 IonicContact OD2-CZ 2.67Å; D171-R241 IonicContact OD2-NE 2.68Å; D171-R241 IonicContact OD2-NH2 2.84Å; D171-R241 PolarHBondContact OD2-NH2 3.08Å; F211-R241 HydrophobicContact CD1-CB 4.17Å; F211-R241 HydrophobicContact CE1-CB 4.07Å; F211-R241 HydrophobicContact CE1-CG 4.34Å; F211-R241 VanDerWaalsContact CZ-NH2 3.35Å; R241-I243 PolarHBondContact O-N 2.87Å; R241-F246 HydrophobicContact CG-CE2 4.18Å
242	N	92.3	Very high	93.7	Very high	70 Å²	70	44.4 Å²	44.4	37%	0.374	22%	0.221	S	C	.	.			trans	-82.4	112.5	171.4	-69	-21.4	0	0	0	109.8	Q210	Q210-N242 PolarHBondContact O-N 3.31Å
243	I	92.1	Very high	93.7	Very high	39 Å²	39	45.1 Å²	45.1	20%	0.2	23%	0.229	C	C	.	.			trans	-82.3	-15.3	-171.8	-167	162.1	0	0	0	115	P169 L170 R241 Y245 F246 I247 W468	P169-I243 HydrophobicContact CG-CD1 4.07Å; P169-I243 HydrophobicContact CG-CG1 4.16Å; L170-I243 HydrophobicContact CD1-CD1 4.3Å; L170-I243 HydrophobicContact CD2-CD1 3.23Å; L170-I243 HydrophobicContact CG-CD1 3.51Å; R241-I243 PolarHBondContact O-N 2.87Å; I243-Y245 VanDerWaalsContact C-N 3.3Å; I243-Y245 PolarHBondContact O-N 2.9Å; I243-Y245 VanDerWaalsContact O-N 3.16Å; I243-F246 HydrophobicContact CG1-CB 4.41Å; I243-F246 PolarHBondContact O-N 3.49Å; I243-I247 HydrophobicContact CG1-CD1 4.19Å; I243-I247 HydrophobicContact CG1-CG1 4.07Å; I243-I247 HydrophobicContact CG2-CD1 3.91Å; I243-I247 PolarHBondContact O-N 2.94Å; I243-I247 VanDerWaalsContact O-N 3.1Å; I243-W468 HydrophobicContact CD1-CH2 4.49Å; I243-W468 HydrophobicContact CD1-CZ3 4.27Å
244	G	90.3	Very high	93.6	Very high	41 Å²	41	45.1 Å²	45.1	42%	0.423	23%	0.229	S	C	.	.	H	α-helix	trans	-54.7	-40.1	-170.7	0	0	0	0	0	114.6	I247 L248	G244-I247 PolarHBondContact O-N 3.47Å; G244-L248 PolarHBondContact O-N 2.67Å
245	Y	90.9	Very high	93.6	Very high	121 Å²	121	46.9 Å²	46.9	48%	0.475	24%	0.237	S	C	.	.	H	α-helix	trans	-60.2	-46.8	175.3	170	-96.8	0	0	0	112.4	I243 I247 L248 Q249	I243-Y245 VanDerWaalsContact C-N 3.3Å; I243-Y245 PolarHBondContact O-N 2.9Å; I243-Y245 VanDerWaalsContact O-N 3.16Å; Y245-I247 VanDerWaalsContact C-N 3.32Å; Y245-I247 PolarHBondContact O-N 3.13Å; Y245-L248 PolarHBondContact O-N 2.84Å; Y245-Q249 HydrophobicContact CD2-CG 4.11Å; Y245-Q249 HydrophobicContact CE2-CG 3.81Å; Y245-Q249 VanDerWaalsContact CE2-OE1 3.32Å; Y245-Q249 WeakPolarHBondContact O-CB 3.35Å; Y245-Q249 PolarHBondContact O-N 3.47Å; Y245-Q249 PolarHBondContact OH-OE1 3.28Å
246	F	92.2	Very high	93.5	Very high	10 Å²	10	50.6 Å²	50.6	4%	0.044	26%	0.256	C	S	.	.	H	α-helix	trans	-67.3	-34.1	-179	-61.5	-75.5	0	0	0	112.2	Y168 P169 R241 I243 T250 Y251	Y168-F246 HydrophobicContact CE1-CE1 4.3Å; Y168-F246 AromaticContact CZ-CE1 3.85Å; Y168-F246 AromaticContact CZ-CZ 3.95Å; Y168-F246 WeakPolarHBondContact OH-CE1 3.28Å; Y168-F246 WeakPolarHBondContact OH-CZ 3.31Å; P169-F246 HydrophobicContact CB-CB 4.39Å; P169-F246 HydrophobicContact CB-CD1 4.31Å; P169-F246 HydrophobicContact CB-CD2 3.64Å; P169-F246 HydrophobicContact CB-CE2 3.96Å; P169-F246 HydrophobicContact CB-CG 3.82Å; P169-F246 HydrophobicContact CB-CZ 4.42Å; P169-F246 HydrophobicContact CG-CB 3.9Å; P169-F246 HydrophobicContact CG-CD1 4.46Å; P169-F246 HydrophobicContact CG-CD2 4.09Å; P169-F246 HydrophobicContact CG-CG 3.87Å; R241-F246 HydrophobicContact CG-CE2 4.18Å; I243-F246 HydrophobicContact CG1-CB 4.41Å; I243-F246 PolarHBondContact O-N 3.49Å; F246-T250 WeakPolarHBondContact O-CA 3.22Å; F246-T250 WeakPolarHBondContact O-CB 3.36Å; F246-T250 PolarHBondContact O-N 2.94Å; F246-Y251 HydrophobicContact CB-CE2 4.41Å; F246-Y251 WeakPolarHBondContact O-CD2 3.38Å; F246-Y251 PolarHBondContact O-N 2.93Å; F246-Y251 VanDerWaalsContact O-N 3.12Å
247	I	93	Very high	93.5	Very high	65 Å²	65	50.3 Å²	50.3	33%	0.333	25%	0.252	S	S	.	.	I	π-helix	trans	-59.7	-49.6	175	-69.6	167.8	0	0	0	110.3	I243 G244 Y245 Y251 M252 W468	I243-I247 HydrophobicContact CG1-CD1 4.19Å; I243-I247 HydrophobicContact CG1-CG1 4.07Å; I243-I247 HydrophobicContact CG2-CD1 3.91Å; I243-I247 PolarHBondContact O-N 2.94Å; I243-I247 VanDerWaalsContact O-N 3.1Å; G244-I247 PolarHBondContact O-N 3.47Å; Y245-I247 VanDerWaalsContact C-N 3.32Å; Y245-I247 PolarHBondContact O-N 3.13Å; I247-Y251 HydrophobicContact CG1-CD2 4.41Å; I247-Y251 PolarHBondContact O-N 2.78Å; I247-M252 VanDerWaalsContact O-CB 3.3Å; I247-M252 WeakPolarHBondContact O-CB 3.49Å; I247-M252 PolarHBondContact O-N 3.48Å; I247-W468 HydrophobicContact CG1-CH2 4.23Å
248	L	91.9	Very high	93.5	Very high	124 Å²	124	50.2 Å²	50.2	65%	0.649	25%	0.252	S	S	*	.	I	π-helix	trans	-75.8	-36.6	-175.4	-66.1	175.5	0	0	0	113.3	G244 Y245 P253	G244-L248 PolarHBondContact O-N 2.67Å; Y245-L248 PolarHBondContact O-N 2.84Å; L248-P253 VanDerWaalsContact O-CD 3.26Å; L248-P253 WeakPolarHBondContact O-CD 3.27Å
249	Q	90.6	Very high	93.5	Very high	110 Å²	110	49.6 Å²	49.6	51%	0.514	25%	0.254	S	S	.	.	I	π-helix	trans	-90.7	-26.5	-175.6	-65.7	-148.5	-1.9	0	0	114.4	Y245 P253	Y245-Q249 HydrophobicContact CD2-CG 4.11Å; Y245-Q249 HydrophobicContact CE2-CG 3.81Å; Y245-Q249 VanDerWaalsContact CE2-OE1 3.32Å; Y245-Q249 WeakPolarHBondContact O-CB 3.35Å; Y245-Q249 PolarHBondContact O-N 3.47Å; Y245-Q249 PolarHBondContact OH-OE1 3.28Å; Q249-P253 WeakPolarHBondContact O-CG 3.24Å
250	T	92.8	Very high	93.4	Very high	8 Å²	8	54 Å²	54	5%	0.049	28%	0.277	C	S	.	.	I	π-helix	trans	-117.2	-58.3	-175.7	-56.5	0	0	0	0	112.5	F246 S254 L293 I306 L310	F246-T250 WeakPolarHBondContact O-CA 3.22Å; F246-T250 WeakPolarHBondContact O-CB 3.36Å; F246-T250 PolarHBondContact O-N 2.94Å; T250-S254 VanDerWaalsContact O-CB 3.3Å; T250-S254 WeakPolarHBondContact O-CB 3.46Å; T250-S254 PolarHBondContact O-N 2.99Å; T250-S254 VanDerWaalsContact O-N 3.14Å; T250-S254 PolarHBondContact O-OG 3.29Å; T250-L293 HydrophobicContact CG2-CD1 3.39Å; T250-L293 HydrophobicContact CG2-CD2 4.48Å; T250-I306 HydrophobicContact CG2-CD1 4.04Å; T250-I306 HydrophobicContact CG2-CG1 4.37Å; T250-L310 HydrophobicContact CG2-CD1 4.43Å; T250-L310 HydrophobicContact CG2-CD2 4.04Å
251	Y	94.6	Very high	93.3	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.008	26%	0.258	C	S	.	.	I	π-helix	trans	-66.3	-48.4	-173.2	-71.6	-85.5	0	0	0	111.7	P169 F246 I247 S254 I255 Y309 Y467 W468	P169-Y251 HydrophobicContact CG-CE2 4.22Å; F246-Y251 HydrophobicContact CB-CE2 4.41Å; F246-Y251 WeakPolarHBondContact O-CD2 3.38Å; F246-Y251 PolarHBondContact O-N 2.93Å; F246-Y251 VanDerWaalsContact O-N 3.12Å; I247-Y251 HydrophobicContact CG1-CD2 4.41Å; I247-Y251 PolarHBondContact O-N 2.78Å; Y251-S254 PolarHBondContact O-N 3.16Å; Y251-I255 VanDerWaalsContact O-CG1 3.28Å; Y251-I255 WeakPolarHBondContact O-CG1 3.39Å; Y251-I255 PolarHBondContact O-N 3.24Å; Y251-Y309 AromaticContact CD1-CD1 3.49Å; Y251-Y309 HydrophobicContact CD1-CD1 3.49Å; Y251-Y309 VanDerWaalsContact CD1-CD1 3.49Å; Y251-Y309 HydrophobicContact CD1-CD2 4.16Å; Y251-Y309 AromaticContact CD1-CE1 3.44Å; Y251-Y309 HydrophobicContact CD1-CE1 3.44Å; Y251-Y309 VanDerWaalsContact CD1-CE1 3.44Å; Y251-Y309 HydrophobicContact CD1-CE2 4.11Å; Y251-Y309 AromaticContact CD1-CG 3.86Å; Y251-Y309 HydrophobicContact CD1-CG 3.86Å; Y251-Y309 AromaticContact CD1-CZ 3.77Å; Y251-Y309 AromaticContact CE1-CD1 3.62Å; Y251-Y309 HydrophobicContact CE1-CD1 3.62Å; Y251-Y309 AromaticContact CE1-CD2 3.91Å; Y251-Y309 HydrophobicContact CE1-CD2 3.91Å; Y251-Y309 HydrophobicContact CE1-CE1 4.04Å; Y251-Y309 HydrophobicContact CE1-CE2 4.29Å; Y251-Y309 AromaticContact CE1-CG 3.55Å; Y251-Y309 HydrophobicContact CE1-CG 3.55Å; Y251-Y309 HydrophobicContact CG-CE1 4.43Å; Y251-Y467 AromaticContact CE1-CE1 3.67Å; Y251-Y467 HydrophobicContact CE1-CE1 3.67Å; Y251-Y467 AromaticContact CE1-CZ 3.98Å; Y251-Y467 PolarHBondContact OH-OH 3.47Å; Y251-W468 HydrophobicContact CD1-CH2 4.35Å; Y251-W468 AromaticContact CD1-CZ2 3.9Å; Y251-W468 HydrophobicContact CD1-CZ2 3.9Å; Y251-W468 HydrophobicContact CD2-CH2 4.42Å; Y251-W468 HydrophobicContact CE1-CH2 4.33Å; Y251-W468 HydrophobicContact CE1-CZ2 4.15Å; Y251-W468 HydrophobicContact CE2-CH2 4.38Å; Y251-W468 HydrophobicContact CG-CH2 4.41Å; Y251-W468 HydrophobicContact CG-CZ2 4.17Å
252	M	94.9	Very high	93.1	Very high	91 Å²	91	50.3 Å²	50.3	45%	0.448	26%	0.261	S	S	.	.	H	α-helix	trans	-63.4	-48.2	-176.6	-172.8	-81.8	-174.6	0	0	112.4	I247 S254 I255 L256	I247-M252 VanDerWaalsContact O-CB 3.3Å; I247-M252 WeakPolarHBondContact O-CB 3.49Å; I247-M252 PolarHBondContact O-N 3.48Å; M252-S254 VanDerWaalsContact C-N 3.33Å; M252-S254 PolarHBondContact O-N 3.38Å; M252-I255 PolarHBondContact O-N 2.91Å; M252-L256 HydrophobicContact CE-CD1 3.43Å; M252-L256 VanDerWaalsContact CE-CD1 3.43Å; M252-L256 HydrophobicContact CE-CD2 4.26Å; M252-L256 HydrophobicContact CE-CG 3.95Å; M252-L256 WeakPolarHBondContact O-CG 3.38Å; M252-L256 PolarHBondContact O-N 3.09Å; M252-L256 HydrophobicContact SD-CD1 3.46Å; M252-L256 WeakPolarHBondContact SD-CD1 3.49Å; M252-L256 HydrophobicContact SD-CG 3.9Å
253	P	95.3	Very high	93	Very high	38 Å²	38	49.9 Å²	49.9	25%	0.247	26%	0.261	C	S	.	.	H	α-helix	trans	-60.5	-39.3	173.3	-27.6	37.9	0	0	0	113.3	L248 Q249 L256 I257 I289	L248-P253 VanDerWaalsContact O-CD 3.26Å; L248-P253 WeakPolarHBondContact O-CD 3.27Å; Q249-P253 WeakPolarHBondContact O-CG 3.24Å; P253-L256 PolarHBondContact O-N 3.1Å; P253-I257 WeakPolarHBondContact O-CB 3.42Å; P253-I257 WeakPolarHBondContact O-CD1 3.37Å; P253-I257 VanDerWaalsContact O-CG1 3.24Å; P253-I257 WeakPolarHBondContact O-CG1 3.48Å; P253-I257 PolarHBondContact O-N 3.5Å; P253-I289 HydrophobicContact CB-CD1 4.31Å
254	S	95.5	Very high	92.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.5	-40	178.7	-56.9	0	0	0	0	112.2	T250 Y251 M252 T258 L310	T250-S254 VanDerWaalsContact O-CB 3.3Å; T250-S254 WeakPolarHBondContact O-CB 3.46Å; T250-S254 PolarHBondContact O-N 2.99Å; T250-S254 VanDerWaalsContact O-N 3.14Å; T250-S254 PolarHBondContact O-OG 3.29Å; Y251-S254 PolarHBondContact O-N 3.16Å; M252-S254 VanDerWaalsContact C-N 3.33Å; M252-S254 PolarHBondContact O-N 3.38Å; S254-T258 WeakPolarHBondContact O-CB 2.94Å; S254-T258 PolarHBondContact O-N 3.31Å; S254-T258 PolarHBondContact O-OG1 3.4Å; S254-L310 VanDerWaalsContact OG-CD2 3.29Å; S254-L310 WeakPolarHBondContact OG-CD2 3.38Å
255	I	95.3	Very high	92.7	Very high	48 Å²	48	46.3 Å²	46.3	25%	0.246	23%	0.233	C	C	.	.	H	α-helix	trans	-61.9	-49	172.7	-70.3	164.8	0	0	0	110.1	Y251 M252 I257 T258 I259 Y309 F460	Y251-I255 VanDerWaalsContact O-CG1 3.28Å; Y251-I255 WeakPolarHBondContact O-CG1 3.39Å; Y251-I255 PolarHBondContact O-N 3.24Å; M252-I255 PolarHBondContact O-N 2.91Å; I255-I257 PolarHBondContact O-N 3.06Å; I255-T258 PolarHBondContact O-N 3.32Å; I255-I259 HydrophobicContact CG2-CD1 3.66Å; I255-I259 HydrophobicContact CG2-CG1 4.39Å; I255-I259 VanDerWaalsContact O-CG1 3.3Å; I255-I259 WeakPolarHBondContact O-CG1 3.43Å; I255-I259 PolarHBondContact O-N 3.13Å; I255-Y309 WeakPolarHBondContact CD1-OH 3.4Å; I255-Y309 WeakPolarHBondContact CG1-OH 3.47Å; I255-F460 HydrophobicContact CG1-CE1 4.36Å; I255-F460 HydrophobicContact CG1-CZ 4.11Å; I255-F460 HydrophobicContact CG2-CE1 4.18Å
256	L	94.6	Very high	92.5	Very high	79 Å²	79	49 Å²	49	41%	0.414	24%	0.242	S	C	.	.	H	α-helix	trans	-60.6	-43.7	179.4	-71.3	-174.5	0	0	0	112.3	M252 P253 T258 I259 L260	M252-L256 HydrophobicContact CE-CD1 3.43Å; M252-L256 VanDerWaalsContact CE-CD1 3.43Å; M252-L256 HydrophobicContact CE-CD2 4.26Å; M252-L256 HydrophobicContact CE-CG 3.95Å; M252-L256 WeakPolarHBondContact O-CG 3.38Å; M252-L256 PolarHBondContact O-N 3.09Å; M252-L256 HydrophobicContact SD-CD1 3.46Å; M252-L256 WeakPolarHBondContact SD-CD1 3.49Å; M252-L256 HydrophobicContact SD-CG 3.9Å; P253-L256 PolarHBondContact O-N 3.1Å; L256-T258 VanDerWaalsContact C-N 3.31Å; L256-T258 PolarHBondContact O-N 3.11Å; L256-I259 PolarHBondContact O-N 3.49Å; L256-L260 WeakPolarHBondContact O-CB 3.42Å; L256-L260 VanDerWaalsContact O-CG 3.28Å; L256-L260 WeakPolarHBondContact O-CG 3.25Å; L256-L260 PolarHBondContact O-N 3.48Å
257	I	95.1	Very high	92.2	Very high	17 Å²	17	50.6 Å²	50.6	9%	0.087	25%	0.251	C	S	.	.	H	α-helix	trans	-63	-41	176.9	-69.3	160.3	0	0	0	110.8	P253 I255 I259 L260 S261 T282 T285 M286 I289 V317	P253-I257 WeakPolarHBondContact O-CB 3.42Å; P253-I257 WeakPolarHBondContact O-CD1 3.37Å; P253-I257 VanDerWaalsContact O-CG1 3.24Å; P253-I257 WeakPolarHBondContact O-CG1 3.48Å; P253-I257 PolarHBondContact O-N 3.5Å; I255-I257 PolarHBondContact O-N 3.06Å; I257-I259 VanDerWaalsContact C-N 3.33Å; I257-I259 PolarHBondContact O-N 2.96Å; I257-L260 PolarHBondContact O-N 3.33Å; I257-S261 PolarHBondContact O-N 2.98Å; I257-T282 HydrophobicContact CG2-CG2 4.35Å; I257-T285 HydrophobicContact CD1-CG2 3.46Å; I257-T285 VanDerWaalsContact CD1-CG2 3.46Å; I257-T285 HydrophobicContact CG1-CG2 4.16Å; I257-M286 HydrophobicContact CG2-CB 4.47Å; I257-I289 HydrophobicContact CD1-CD1 3.36Å; I257-V317 HydrophobicContact CG2-CG2 4.39Å
258	T	94.9	Very high	91.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.3	-43.4	175.7	-52.2	0	0	0	0	110.6	S254 I255 L256 L260 S261 W262 F316 F460	S254-T258 WeakPolarHBondContact O-CB 2.94Å; S254-T258 PolarHBondContact O-N 3.31Å; S254-T258 PolarHBondContact O-OG1 3.4Å; I255-T258 PolarHBondContact O-N 3.32Å; L256-T258 VanDerWaalsContact C-N 3.31Å; L256-T258 PolarHBondContact O-N 3.11Å; T258-L260 PolarHBondContact O-N 3.26Å; T258-S261 WeakPolarHBondContact O-CB 3.11Å; T258-S261 PolarHBondContact O-N 3.43Å; T258-S261 PolarHBondContact O-OG 3.2Å; T258-W262 HydrophobicContact CG2-CE3 4.29Å; T258-W262 HydrophobicContact CG2-CH2 4.27Å; T258-W262 HydrophobicContact CG2-CZ3 3.74Å; T258-F316 HydrophobicContact CG2-CB 3.76Å; T258-F316 HydrophobicContact CG2-CG 4.49Å; T258-F460 HydrophobicContact CG2-CD2 3.87Å; T258-F460 HydrophobicContact CG2-CE2 3.71Å; T258-F460 HydrophobicContact CG2-CG 4.36Å; T258-F460 HydrophobicContact CG2-CZ 4.05Å
259	I	93.4	Very high	91	Very high	67 Å²	67	50 Å²	50	34%	0.344	25%	0.245	S	C	.	.	H	α-helix	trans	-61.9	-43.8	174.6	-66.7	164.4	0	0	0	111.4	I255 L256 I257 S261 W262 V263	I255-I259 HydrophobicContact CG2-CD1 3.66Å; I255-I259 HydrophobicContact CG2-CG1 4.39Å; I255-I259 VanDerWaalsContact O-CG1 3.3Å; I255-I259 WeakPolarHBondContact O-CG1 3.43Å; I255-I259 PolarHBondContact O-N 3.13Å; L256-I259 PolarHBondContact O-N 3.49Å; I257-I259 VanDerWaalsContact C-N 3.33Å; I257-I259 PolarHBondContact O-N 2.96Å; I259-S261 PolarHBondContact O-N 3.29Å; I259-W262 HydrophobicContact CB-CZ2 4.15Å; I259-W262 HydrophobicContact CG1-CH2 4.29Å; I259-W262 HydrophobicContact CG1-CZ2 3.58Å; I259-W262 PolarHBondContact O-N 2.96Å; I259-W262 PolarHBondContact O-NE1 3.31Å; I259-V263 PolarHBondContact O-N 2.92Å
260	L	92.6	Very high	90.4	Very high	95 Å²	95	50.4 Å²	50.4	50%	0.497	25%	0.251	S	S	.	.	H	α-helix	trans	-61.2	-34	178.1	-74.4	172.1	0	0	0	112.2	L256 I257 T258 W262 V263 T282	L256-L260 WeakPolarHBondContact O-CB 3.42Å; L256-L260 VanDerWaalsContact O-CG 3.28Å; L256-L260 WeakPolarHBondContact O-CG 3.25Å; L256-L260 PolarHBondContact O-N 3.48Å; I257-L260 PolarHBondContact O-N 3.33Å; T258-L260 PolarHBondContact O-N 3.26Å; L260-W262 VanDerWaalsContact C-N 3.31Å; L260-W262 PolarHBondContact O-N 3.48Å; L260-V263 WeakPolarHBondContact O-CB 3.24Å; L260-V263 PolarHBondContact O-N 3.3Å; L260-T282 HydrophobicContact CB-CG2 4.23Å
261	S	92.9	Very high	90	Very high	3 Å²	3	52 Å²	52	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-61.2	-38.4	-179.9	76.7	0	0	0	0	112.9	I257 T258 I259 S264	I257-S261 PolarHBondContact O-N 2.98Å; T258-S261 WeakPolarHBondContact O-CB 3.11Å; T258-S261 PolarHBondContact O-N 3.43Å; T258-S261 PolarHBondContact O-OG 3.2Å; I259-S261 PolarHBondContact O-N 3.29Å; S261-S264 WeakPolarHBondContact O-CB 3.26Å; S261-S264 PolarHBondContact O-OG 2.71Å
262	W	90.5	Very high	89.4	Confident	28 Å²	28	53.8 Å²	53.8	11%	0.106	28%	0.278	C	S	.	.	H	α-helix	trans	-90.9	0.2	179.3	61.6	54.6	0	0	0	114.4	T258 I259 L260 S264 F265 F456 P457 F460	T258-W262 HydrophobicContact CG2-CE3 4.29Å; T258-W262 HydrophobicContact CG2-CH2 4.27Å; T258-W262 HydrophobicContact CG2-CZ3 3.74Å; I259-W262 HydrophobicContact CB-CZ2 4.15Å; I259-W262 HydrophobicContact CG1-CH2 4.29Å; I259-W262 HydrophobicContact CG1-CZ2 3.58Å; I259-W262 PolarHBondContact O-N 2.96Å; I259-W262 PolarHBondContact O-NE1 3.31Å; L260-W262 VanDerWaalsContact C-N 3.31Å; L260-W262 PolarHBondContact O-N 3.48Å; W262-S264 PolarHBondContact O-N 2.83Å; W262-F265 HydrophobicContact CB-CD2 3.56Å; W262-F265 HydrophobicContact CB-CE2 3.28Å; W262-F265 HydrophobicContact CB-CG 4.42Å; W262-F265 HydrophobicContact CB-CZ 3.94Å; W262-F265 HydrophobicContact CG-CE2 4.49Å; W262-F265 WeakPolarHBondContact O-CB 3.18Å; W262-F265 WeakPolarHBondContact O-CD2 3.35Å; W262-F265 WeakPolarHBondContact O-CG 3.1Å; W262-F265 PolarHBondContact O-N 3.43Å; W262-F456 HydrophobicContact CD2-CB 4.4Å; W262-F456 HydrophobicContact CE3-CB 3.85Å; W262-F456 HydrophobicContact CE3-CD1 4.2Å; W262-F456 HydrophobicContact CZ3-CB 4.35Å; W262-P457 HydrophobicContact CZ2-CB 4.42Å; W262-P457 HydrophobicContact CZ2-CG 4.34Å; W262-F460 HydrophobicContact CH2-CB 3.63Å; W262-F460 AromaticContact CH2-CD1 3.55Å; W262-F460 HydrophobicContact CH2-CD1 3.55Å; W262-F460 HydrophobicContact CH2-CE1 4.34Å; W262-F460 AromaticContact CH2-CG 3.68Å; W262-F460 HydrophobicContact CH2-CG 3.68Å; W262-F460 HydrophobicContact CZ3-CB 3.73Å; W262-F460 HydrophobicContact CZ3-CD1 4.27Å; W262-F460 AromaticContact CZ3-CG 3.95Å; W262-F460 HydrophobicContact CZ3-CG 3.95Å
263	V	89.6	Confident	89	Confident	62 Å²	62	53.1 Å²	53.1	38%	0.376	29%	0.287	S	S	.	.	H	α-helix	trans	-60.9	-27.1	164.7	175.1	0	0	0	0	110.2	I259 L260 F265 W266	I259-V263 PolarHBondContact O-N 2.92Å; L260-V263 WeakPolarHBondContact O-CB 3.24Å; L260-V263 PolarHBondContact O-N 3.3Å; V263-F265 PolarHBondContact O-N 3.39Å; V263-F265 VanDerWaalsContact O-N 3.14Å; V263-W266 WeakPolarHBondContact O-CB 3.34Å; V263-W266 PolarHBondContact O-N 3.31Å
264	S	87.6	Confident	88.7	Confident	4 Å²	4	53.4 Å²	53.4	3%	0.028	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-55.1	-29	174.5	64.8	0	0	0	0	113.8	S261 W262 W266 I267 R275	S261-S264 WeakPolarHBondContact O-CB 3.26Å; S261-S264 PolarHBondContact O-OG 2.71Å; W262-S264 PolarHBondContact O-N 2.83Å; S264-W266 PolarHBondContact O-N 2.71Å; S264-I267 PolarHBondContact O-N 2.9Å; S264-R275 PolarHBondContact O-NE 2.85Å
265	F	88.4	Confident	88.4	Confident	1 Å²	1	53.5 Å²	53.5	0%	0.004	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-69	-16.9	177.6	-53.1	-27.6	0	0	0	113.5	W262 V263 A320 E323 R453 F456	W262-F265 HydrophobicContact CB-CD2 3.56Å; W262-F265 HydrophobicContact CB-CE2 3.28Å; W262-F265 HydrophobicContact CB-CG 4.42Å; W262-F265 HydrophobicContact CB-CZ 3.94Å; W262-F265 HydrophobicContact CG-CE2 4.49Å; W262-F265 WeakPolarHBondContact O-CB 3.18Å; W262-F265 WeakPolarHBondContact O-CD2 3.35Å; W262-F265 WeakPolarHBondContact O-CG 3.1Å; W262-F265 PolarHBondContact O-N 3.43Å; V263-F265 PolarHBondContact O-N 3.39Å; V263-F265 VanDerWaalsContact O-N 3.14Å; F265-A320 HydrophobicContact CE1-CB 4.34Å; F265-A320 HydrophobicContact CZ-CB 4.05Å; F265-E323 WeakPolarHBondContact CD1-OE2 3.48Å; F265-E323 HydrophobicContact CE1-CB 4.15Å; F265-E323 HydrophobicContact CE1-CG 3.87Å; F265-E323 VanDerWaalsContact CE1-OE2 3.27Å; F265-E323 WeakPolarHBondContact CE1-OE2 3.45Å; F265-E323 HydrophobicContact CZ-CG 4.39Å; F265-R453 HydrophobicContact CB-CG 3.97Å; F265-R453 PolarHBondContact O-NE 2.93Å; F265-R453 VanDerWaalsContact O-NE 3.08Å; F265-R453 PolarHBondContact O-NH2 3.12Å; F265-F456 HydrophobicContact CE2-CB 4.03Å; F265-F456 HydrophobicContact CE2-CD1 4.24Å; F265-F456 AromaticContact CE2-CD2 3.57Å; F265-F456 HydrophobicContact CE2-CD2 3.57Å; F265-F456 AromaticContact CE2-CE2 3.98Å; F265-F456 HydrophobicContact CE2-CE2 3.98Å; F265-F456 AromaticContact CE2-CG 3.7Å; F265-F456 HydrophobicContact CE2-CG 3.7Å; F265-F456 HydrophobicContact CE2-CZ 4.47Å; F265-F456 HydrophobicContact CZ-CD1 4.23Å; F265-F456 AromaticContact CZ-CD2 3.76Å; F265-F456 HydrophobicContact CZ-CD2 3.76Å; F265-F456 HydrophobicContact CZ-CE1 4.15Å; F265-F456 AromaticContact CZ-CE2 3.67Å; F265-F456 HydrophobicContact CZ-CE2 3.67Å; F265-F456 HydrophobicContact CZ-CG 4.04Å; F265-F456 AromaticContact CZ-CZ 3.87Å; F265-F456 HydrophobicContact CZ-CZ 3.87Å
266	W	86.9	Confident	88.1	Confident	176 Å²	176	53.6 Å²	53.6	67%	0.667	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-91.7	-22.2	177.6	-71.4	87.8	0	0	0	113	V263 S264	V263-W266 WeakPolarHBondContact O-CB 3.34Å; V263-W266 PolarHBondContact O-N 3.31Å; S264-W266 PolarHBondContact O-N 2.71Å
267	I	86.8	Confident	88	Confident	44 Å²	44	52.3 Å²	52.3	23%	0.226	30%	0.296	C	S	.	.	S	Bend	trans	-73.8	140	177.5	-63.4	176.2	0	0	0	108.1	S264 A271 R275 L278	S264-I267 PolarHBondContact O-N 2.9Å; I267-A271 HydrophobicContact CG2-CB 3.91Å; I267-R275 HydrophobicContact CB-CG 4.17Å; I267-R275 HydrophobicContact CG2-CG 3.99Å; I267-R275 PolarHBondContact O-NE 3.46Å; I267-R275 PolarHBondContact O-NH2 3.38Å; I267-L278 HydrophobicContact CD1-CD1 3.38Å
268	N	81.6	Confident	87.8	Confident	123 Å²	123	54.5 Å²	54.5	66%	0.658	31%	0.308	S	S	*	.			trans	-62.5	146.4	177.6	-67.8	-38.4	0	0	0	112.2	D270 A271 R275	N268-D270 PolarHBondContact O-N 2.95Å; N268-A271 PolarHBondContact O-N 2.68Å; N268-A271 VanDerWaalsContact O-N 3.12Å; N268-R275 PolarHBondContact O-NE 3.01Å
269	Y	77.4	Confident	87.7	Confident	54 Å²	54	54.8 Å²	54.8	21%	0.212	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-23.5	-178.2	64.5	-99.4	0	0	0	113	A271 R275 F331 V445	Y269-A271 PolarHBondContact O-N 3.28Å; Y269-R275 VanDerWaalsContact N-NH2 3.18Å; Y269-F331 AromaticContact CD2-CD2 3.98Å; Y269-F331 HydrophobicContact CD2-CD2 3.98Å; Y269-F331 HydrophobicContact CD2-CE1 4.45Å; Y269-F331 AromaticContact CD2-CE2 3.88Å; Y269-F331 HydrophobicContact CD2-CE2 3.88Å; Y269-F331 HydrophobicContact CD2-CG 4.31Å; Y269-F331 HydrophobicContact CD2-CZ 4.12Å; Y269-F331 AromaticContact CE2-CD2 3.81Å; Y269-F331 HydrophobicContact CE2-CD2 3.81Å; Y269-F331 HydrophobicContact CE2-CE1 4.42Å; Y269-F331 AromaticContact CE2-CE2 3.32Å; Y269-F331 HydrophobicContact CE2-CE2 3.32Å; Y269-F331 AromaticContact CE2-CZ 3.67Å; Y269-F331 HydrophobicContact CE2-CZ 3.67Å; Y269-V445 HydrophobicContact CD1-CG1 4.43Å
270	D	77.4	Confident	87.6	Confident	118 Å²	118	56.1 Å²	56.1	63%	0.631	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-28.4	175.3	-90.5	-18.7	0	0	0	112.4	N268 S272	N268-D270 PolarHBondContact O-N 2.95Å; D270-S272 PolarHBondContact O-N 3.17Å
271	A	85	Confident	87.8	Confident	43 Å²	43	55.3 Å²	55.3	36%	0.355	32%	0.317	S	S	.	.			trans	-86.3	56.5	178.1	0	0	0	0	0	111.8	I267 N268 Y269 A273 A274 R275	I267-A271 HydrophobicContact CG2-CB 3.91Å; N268-A271 PolarHBondContact O-N 2.68Å; N268-A271 VanDerWaalsContact O-N 3.12Å; Y269-A271 PolarHBondContact O-N 3.28Å; A271-A273 VanDerWaalsContact C-N 3.32Å; A271-A273 PolarHBondContact O-N 3.42Å; A271-A274 HydrophobicContact CB-CB 4.46Å; A271-A274 PolarHBondContact O-N 3.15Å; A271-R275 PolarHBondContact O-N 2.97Å
272	S	81.9	Confident	87.9	Confident	38 Å²	38	55.7 Å²	55.7	27%	0.266	32%	0.319	S	S	.	.	H	α-helix	trans	-56.9	-40.7	-174.5	61.5	0	0	0	0	113.4	D270 A274 R275 V276	D270-S272 PolarHBondContact O-N 3.17Å; S272-A274 PolarHBondContact O-N 3.36Å; S272-R275 PolarHBondContact O-N 3.18Å; S272-V276 WeakPolarHBondContact O-CG2 3.41Å; S272-V276 PolarHBondContact O-N 3.09Å
273	A	86.7	Confident	88.1	Confident	77 Å²	77	55.6 Å²	55.6	64%	0.636	32%	0.321	S	S	*	.	H	α-helix	trans	-60.3	-40.9	179.4	0	0	0	0	0	113.1	A271 A277	A271-A273 VanDerWaalsContact C-N 3.32Å; A271-A273 PolarHBondContact O-N 3.42Å; A273-A277 WeakPolarHBondContact O-CB 3.34Å; A273-A277 PolarHBondContact O-N 3.17Å; A273-A277 VanDerWaalsContact O-N 3.09Å
274	A	88.1	Confident	88.4	Confident	44 Å²	44	57.9 Å²	57.9	36%	0.364	33%	0.331	S	S	.	.	H	α-helix	trans	-68.5	-41.4	179.4	0	0	0	0	0	111.8	A271 S272 A277 L278	A271-A274 HydrophobicContact CB-CB 4.46Å; A271-A274 PolarHBondContact O-N 3.15Å; S272-A274 PolarHBondContact O-N 3.36Å; A274-A277 PolarHBondContact O-N 3.1Å; A274-L278 WeakPolarHBondContact O-CG 3Å; A274-L278 PolarHBondContact O-N 3.49Å; A274-L278 VanDerWaalsContact O-N 3.07Å
275	R	89.3	Confident	88.8	Confident	3 Å²	3	60.4 Å²	60.4	1%	0.011	35%	0.346	C	S	.	.	H	α-helix	trans	-64.9	-43.7	177.8	-67.7	-169.5	179.6	-162.4	6.6	111.9	S264 I267 N268 Y269 A271 S272 L278 G279 Y324 D449	S264-R275 PolarHBondContact O-NE 2.85Å; I267-R275 HydrophobicContact CB-CG 4.17Å; I267-R275 HydrophobicContact CG2-CG 3.99Å; I267-R275 PolarHBondContact O-NE 3.46Å; I267-R275 PolarHBondContact O-NH2 3.38Å; N268-R275 PolarHBondContact O-NE 3.01Å; Y269-R275 VanDerWaalsContact N-NH2 3.18Å; A271-R275 PolarHBondContact O-N 2.97Å; S272-R275 PolarHBondContact O-N 3.18Å; R275-L278 PolarHBondContact O-N 2.69Å; R275-G279 PolarHBondContact O-N 2.95Å; R275-Y324 HydrophobicContact CB-CD2 3.54Å; R275-Y324 HydrophobicContact CB-CE2 3.61Å; R275-Y324 HydrophobicContact CB-CG 4.24Å; R275-Y324 HydrophobicContact CG-CD2 4.24Å; R275-Y324 HydrophobicContact CG-CE2 4.39Å; R275-D449 IonicContact CZ-OD2 3.63Å; R275-D449 IonicContact NH1-OD1 3.33Å; R275-D449 PolarHBondContact NH1-OD1 3.28Å; R275-D449 IonicContact NH1-OD2 3.42Å; R275-D449 PolarHBondContact NH1-OD2 3.24Å; R275-D449 IonicContact NH2-OD1 3.8Å; R275-D449 IonicContact NH2-OD2 2.81Å; R275-D449 PolarHBondContact NH2-OD2 3.4Å
276	V	89.8	Confident	89	Confident	49 Å²	49	60.4 Å²	60.4	30%	0.297	35%	0.346	S	S	.	.	H	α-helix	trans	-60.9	-48.5	176	175.8	0	0	0	0	111.2	S272 L278 G279 I280 Y324	S272-V276 WeakPolarHBondContact O-CG2 3.41Å; S272-V276 PolarHBondContact O-N 3.09Å; V276-L278 VanDerWaalsContact C-N 3.34Å; V276-L278 PolarHBondContact O-N 2.91Å; V276-G279 PolarHBondContact O-N 3.09Å; V276-I280 HydrophobicContact CG1-CD1 3.54Å; V276-I280 HydrophobicContact CG1-CG1 4.21Å; V276-I280 WeakPolarHBondContact O-CG1 3.3Å; V276-I280 PolarHBondContact O-N 3.38Å; V276-Y324 HydrophobicContact CB-CE1 4.38Å; V276-Y324 HydrophobicContact CG2-CD1 4.26Å; V276-Y324 HydrophobicContact CG2-CE1 3.25Å; V276-Y324 WeakPolarHBondContact CG2-OH 3.48Å
277	A	91.7	Very high	89.4	Confident	52 Å²	52	54.6 Å²	54.6	43%	0.43	33%	0.33	S	S	.	.	H	α-helix	trans	-59.9	-45.4	-178.1	0	0	0	0	0	111.3	A273 A274 T281	A273-A277 WeakPolarHBondContact O-CB 3.34Å; A273-A277 PolarHBondContact O-N 3.17Å; A273-A277 VanDerWaalsContact O-N 3.09Å; A274-A277 PolarHBondContact O-N 3.1Å; A277-T281 WeakPolarHBondContact O-CB 3.48Å; A277-T281 PolarHBondContact O-N 3.11Å; A277-T281 PolarHBondContact O-OG1 3.22Å
278	L	91.9	Very high	89.8	Confident	64 Å²	64	56.5 Å²	56.5	34%	0.335	34%	0.344	S	S	.	.	H	α-helix	trans	-63.8	-44.9	176	-73.9	169.1	0	0	0	112.4	I267 A274 R275 V276 T282	I267-L278 HydrophobicContact CD1-CD1 3.38Å; A274-L278 WeakPolarHBondContact O-CG 3Å; A274-L278 PolarHBondContact O-N 3.49Å; A274-L278 VanDerWaalsContact O-N 3.07Å; R275-L278 PolarHBondContact O-N 2.69Å; V276-L278 VanDerWaalsContact C-N 3.34Å; V276-L278 PolarHBondContact O-N 2.91Å; L278-T282 WeakPolarHBondContact O-CB 3.12Å; L278-T282 VanDerWaalsContact O-CG2 3.29Å; L278-T282 WeakPolarHBondContact O-CG2 3.39Å; L278-T282 PolarHBondContact O-N 2.94Å; L278-T282 PolarHBondContact O-OG1 2.88Å
279	G	91.5	Very high	90.3	Very high	6 Å²	6	52.2 Å²	52.2	6%	0.062	32%	0.321	C	S	.	.	H	α-helix	trans	-64.1	-46.1	-180	0	0	0	0	0	113.2	R275 V276 T282 V283	R275-G279 PolarHBondContact O-N 2.95Å; V276-G279 PolarHBondContact O-N 3.09Å; G279-T282 PolarHBondContact O-OG1 3.42Å; G279-V283 WeakPolarHBondContact O-CG2 3.44Å; G279-V283 PolarHBondContact O-N 3.31Å
280	I	93	Very high	91	Very high	95 Å²	95	50.6 Å²	50.6	49%	0.487	32%	0.316	S	S	.	.	H	α-helix	trans	-68.1	-43	178.2	-65.8	176.4	0	0	0	110.8	V276 T282 V283 L284	V276-I280 HydrophobicContact CG1-CD1 3.54Å; V276-I280 HydrophobicContact CG1-CG1 4.21Å; V276-I280 WeakPolarHBondContact O-CG1 3.3Å; V276-I280 PolarHBondContact O-N 3.38Å; I280-T282 PolarHBondContact O-N 2.95Å; I280-V283 PolarHBondContact O-N 2.91Å; I280-L284 WeakPolarHBondContact O-CB 3.45Å; I280-L284 PolarHBondContact O-N 3.26Å
281	T	94.9	Very high	91.7	Very high	78 Å²	78	48 Å²	48	48%	0.479	31%	0.305	S	S	.	.	H	α-helix	trans	-62.7	-44	-179.5	-56.7	0	0	0	0	110.8	A277 V283 L284 T285	A277-T281 WeakPolarHBondContact O-CB 3.48Å; A277-T281 PolarHBondContact O-N 3.11Å; A277-T281 PolarHBondContact O-OG1 3.22Å; T281-V283 PolarHBondContact O-N 2.68Å; T281-L284 PolarHBondContact O-N 3.14Å; T281-T285 PolarHBondContact O-N 3.41Å; T281-T285 PolarHBondContact O-OG1 3.21Å
282	T	95	Very high	92	Very high	10 Å²	10	50.9 Å²	50.9	6%	0.061	31%	0.31	C	S	.	.	H	α-helix	trans	-63.9	-40.1	178.1	49.2	0	0	0	0	112.7	I257 L260 L278 G279 I280 T285 M286	I257-T282 HydrophobicContact CG2-CG2 4.35Å; L260-T282 HydrophobicContact CB-CG2 4.23Å; L278-T282 WeakPolarHBondContact O-CB 3.12Å; L278-T282 VanDerWaalsContact O-CG2 3.29Å; L278-T282 WeakPolarHBondContact O-CG2 3.39Å; L278-T282 PolarHBondContact O-N 2.94Å; L278-T282 PolarHBondContact O-OG1 2.88Å; G279-T282 PolarHBondContact O-OG1 3.42Å; I280-T282 PolarHBondContact O-N 2.95Å; T282-T285 PolarHBondContact O-N 3.2Å; T282-M286 WeakPolarHBondContact O-CB 3.26Å; T282-M286 PolarHBondContact O-N 3.45Å
283	V	95.6	Very high	92.3	Very high	27 Å²	27	49.7 Å²	49.7	16%	0.164	30%	0.301	C	S	.	.	H	α-helix	trans	-61.7	-44.9	172.7	172.4	0	0	0	0	111.1	G279 I280 T281 M286 T287 F314 V317 L321	G279-V283 WeakPolarHBondContact O-CG2 3.44Å; G279-V283 PolarHBondContact O-N 3.31Å; I280-V283 PolarHBondContact O-N 2.91Å; T281-V283 PolarHBondContact O-N 2.68Å; V283-M286 PolarHBondContact O-N 3.5Å; V283-T287 WeakPolarHBondContact O-CB 3.43Å; V283-T287 PolarHBondContact O-N 2.9Å; V283-T287 PolarHBondContact O-OG1 2.87Å; V283-F314 HydrophobicContact CG1-CE2 4.12Å; V283-V317 HydrophobicContact CB-CG1 4.43Å; V283-V317 HydrophobicContact CG2-CG1 3.69Å; V283-L321 HydrophobicContact CG2-CD2 4.13Å
284	L	95.4	Very high	92.4	Very high	110 Å²	110	52.5 Å²	52.5	58%	0.576	30%	0.295	S	S	*	.	H	α-helix	trans	-62.3	-49.5	178.1	179.1	62.6	0	0	0	110.9	I280 T281 M286 T287 T288	I280-L284 WeakPolarHBondContact O-CB 3.45Å; I280-L284 PolarHBondContact O-N 3.26Å; T281-L284 PolarHBondContact O-N 3.14Å; L284-M286 VanDerWaalsContact C-N 3.31Å; L284-M286 PolarHBondContact O-N 2.83Å; L284-T287 WeakPolarHBondContact O-CB 3.31Å; L284-T287 PolarHBondContact O-N 3.41Å; L284-T287 VanDerWaalsContact O-N 3.12Å; L284-T288 PolarHBondContact O-N 3.38Å; L284-T288 PolarHBondContact O-OG1 2.84Å
285	T	95.5	Very high	92.4	Very high	57 Å²	57	57.5 Å²	57.5	35%	0.35	31%	0.311	S	S	.	.	H	α-helix	trans	-59.3	-42.6	178.7	-49.6	0	0	0	0	111.5	I257 T281 T282 T287 T288 I289	I257-T285 HydrophobicContact CD1-CG2 3.46Å; I257-T285 VanDerWaalsContact CD1-CG2 3.46Å; I257-T285 HydrophobicContact CG1-CG2 4.16Å; T281-T285 PolarHBondContact O-N 3.41Å; T281-T285 PolarHBondContact O-OG1 3.21Å; T282-T285 PolarHBondContact O-N 3.2Å; T285-T287 VanDerWaalsContact C-N 3.35Å; T285-T287 PolarHBondContact O-N 3.36Å; T285-T288 WeakPolarHBondContact O-CB 3.19Å; T285-T288 PolarHBondContact O-N 2.68Å; T285-I289 PolarHBondContact O-N 2.97Å; T285-I289 VanDerWaalsContact O-N 3.08Å
286	M	94.1	Very high	92.3	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.8	-40.9	176.2	-167.8	65.7	-166.5	0	0	111.9	I257 T282 V283 L284 T288 I289 N290 L310 C313 F314	I257-M286 HydrophobicContact CG2-CB 4.47Å; T282-M286 WeakPolarHBondContact O-CB 3.26Å; T282-M286 PolarHBondContact O-N 3.45Å; V283-M286 PolarHBondContact O-N 3.5Å; L284-M286 VanDerWaalsContact C-N 3.31Å; L284-M286 PolarHBondContact O-N 2.83Å; M286-T288 VanDerWaalsContact C-N 3.33Å; M286-T288 PolarHBondContact O-N 3.34Å; M286-I289 PolarHBondContact O-N 2.96Å; M286-N290 VanDerWaalsContact O-CG 3.24Å; M286-N290 PolarHBondContact O-N 3.44Å; M286-N290 PolarHBondContact O-OD1 3.19Å; M286-L310 HydrophobicContact CE-CB 4.05Å; M286-L310 HydrophobicContact CE-CD2 3.65Å; M286-L310 HydrophobicContact CE-CG 4.46Å; M286-L310 WeakPolarHBondContact CE-O 3.23Å; M286-C313 HydrophobicContact CE-CB 3.3Å; M286-C313 HydrophobicContact SD-CB 4.14Å; M286-F314 HydrophobicContact CB-CD2 4.44Å; M286-F314 HydrophobicContact CG-CB 4.1Å; M286-F314 HydrophobicContact CG-CD2 4.1Å
287	T	94.3	Very high	92.2	Very high	55 Å²	55	59 Å²	59	34%	0.337	32%	0.32	S	S	.	.	H	α-helix	trans	-64.3	-38.3	176	-54.7	0	0	0	0	111.8	V283 L284 T285 N290 T291	V283-T287 WeakPolarHBondContact O-CB 3.43Å; V283-T287 PolarHBondContact O-N 2.9Å; V283-T287 PolarHBondContact O-OG1 2.87Å; L284-T287 WeakPolarHBondContact O-CB 3.31Å; L284-T287 PolarHBondContact O-N 3.41Å; L284-T287 VanDerWaalsContact O-N 3.12Å; T285-T287 VanDerWaalsContact C-N 3.35Å; T285-T287 PolarHBondContact O-N 3.36Å; T287-N290 PolarHBondContact O-N 2.96Å; T287-T291 WeakPolarHBondContact O-CB 3.25Å; T287-T291 PolarHBondContact O-N 3.06Å; T287-T291 PolarHBondContact O-OG1 3.29Å
288	T	94.9	Very high	92.1	Very high	84 Å²	84	57.1 Å²	57.1	52%	0.515	30%	0.304	S	S	.	.	H	α-helix	trans	-62.9	-46.8	176	-57.8	0	0	0	0	111.5	L284 T285 M286 N290 T291 H292	L284-T288 PolarHBondContact O-N 3.38Å; L284-T288 PolarHBondContact O-OG1 2.84Å; T285-T288 WeakPolarHBondContact O-CB 3.19Å; T285-T288 PolarHBondContact O-N 2.68Å; M286-T288 VanDerWaalsContact C-N 3.33Å; M286-T288 PolarHBondContact O-N 3.34Å; T288-N290 VanDerWaalsContact C-N 3.35Å; T288-N290 PolarHBondContact O-N 3.42Å; T288-T291 PolarHBondContact O-N 3.34Å; T288-H292 WeakPolarHBondContact O-CB 3.45Å; T288-H292 PolarHBondContact O-N 2.87Å
289	I	93.6	Very high	91.9	Very high	33 Å²	33	64 Å²	64	17%	0.169	33%	0.331	C	S	.	.	H	α-helix	trans	-61.3	-44.5	176.9	-68.6	173.9	0	0	0	110.8	P253 I257 T285 M286 T291 H292 L293 L310	P253-I289 HydrophobicContact CB-CD1 4.31Å; I257-I289 HydrophobicContact CD1-CD1 3.36Å; T285-I289 PolarHBondContact O-N 2.97Å; T285-I289 VanDerWaalsContact O-N 3.08Å; M286-I289 PolarHBondContact O-N 2.96Å; I289-T291 VanDerWaalsContact C-N 3.33Å; I289-T291 PolarHBondContact O-N 3.05Å; I289-H292 PolarHBondContact O-N 3.46Å; I289-L293 HydrophobicContact CG2-CD1 3.93Å; I289-L293 WeakPolarHBondContact O-CG 3.43Å; I289-L293 PolarHBondContact O-N 3.32Å; I289-L293 VanDerWaalsContact O-N 3.08Å; I289-L310 HydrophobicContact CG2-CD2 4.31Å
290	N	91.1	Very high	91.7	Very high	19 Å²	19	65.5 Å²	65.5	10%	0.102	34%	0.337	C	S	.	.	H	α-helix	trans	-62.8	-39.5	179.1	-70.8	-2.8	0	0	0	112.4	M286 T287 T288 R294 L310	M286-N290 VanDerWaalsContact O-CG 3.24Å; M286-N290 PolarHBondContact O-N 3.44Å; M286-N290 PolarHBondContact O-OD1 3.19Å; T287-N290 PolarHBondContact O-N 2.96Å; T288-N290 VanDerWaalsContact C-N 3.35Å; T288-N290 PolarHBondContact O-N 3.42Å; N290-R294 VanDerWaalsContact O-CG 3.31Å; N290-R294 WeakPolarHBondContact O-CG 3.37Å; N290-R294 PolarHBondContact O-N 3.27Å; N290-L310 VanDerWaalsContact OD1-CB 3.31Å; N290-L310 WeakPolarHBondContact OD1-CB 3.26Å
291	T	91.8	Very high	91.4	Very high	65 Å²	65	67.5 Å²	67.5	40%	0.399	36%	0.356	S	S	.	.	H	α-helix	trans	-66.9	-47.4	176.5	-57.5	0	0	0	0	110.9	T287 T288 I289 L293 R294 E295	T287-T291 WeakPolarHBondContact O-CB 3.25Å; T287-T291 PolarHBondContact O-N 3.06Å; T287-T291 PolarHBondContact O-OG1 3.29Å; T288-T291 PolarHBondContact O-N 3.34Å; I289-T291 VanDerWaalsContact C-N 3.33Å; I289-T291 PolarHBondContact O-N 3.05Å; T291-L293 VanDerWaalsContact C-N 3.29Å; T291-L293 PolarHBondContact O-N 3.47Å; T291-R294 PolarHBondContact O-N 3.03Å; T291-E295 PolarHBondContact O-N 3.01Å
292	H	91.4	Very high	91.1	Very high	103 Å²	103	67.2 Å²	67.2	48%	0.477	35%	0.347	S	S	.	.	H	α-helix	trans	-56.7	-41.8	178.8	178	62.2	0	0	0	112.7	T288 I289 R294 E295 T296	T288-H292 WeakPolarHBondContact O-CB 3.45Å; T288-H292 PolarHBondContact O-N 2.87Å; I289-H292 PolarHBondContact O-N 3.46Å; H292-R294 VanDerWaalsContact C-N 3.34Å; H292-R294 PolarHBondContact O-N 3.29Å; H292-E295 PolarHBondContact O-N 3Å; H292-T296 WeakPolarHBondContact O-CG2 3.26Å; H292-T296 PolarHBondContact O-N 3.4Å; H292-T296 PolarHBondContact O-OG1 3.4Å; H292-T296 VanDerWaalsContact O-OG1 3.11Å
293	L	89.5	Confident	90.9	Very high	12 Å²	12	71.7 Å²	71.7	6%	0.063	37%	0.374	C	S	.	.	H	α-helix	trans	-70	-30.3	178.1	-72.6	165.6	0	0	0	113.5	T250 I289 T291 E295 T296 L297 I306 L310	T250-L293 HydrophobicContact CG2-CD1 3.39Å; T250-L293 HydrophobicContact CG2-CD2 4.48Å; I289-L293 HydrophobicContact CG2-CD1 3.93Å; I289-L293 WeakPolarHBondContact O-CG 3.43Å; I289-L293 PolarHBondContact O-N 3.32Å; I289-L293 VanDerWaalsContact O-N 3.08Å; T291-L293 VanDerWaalsContact C-N 3.29Å; T291-L293 PolarHBondContact O-N 3.47Å; L293-E295 VanDerWaalsContact C-N 3.35Å; L293-T296 WeakPolarHBondContact CA-OG1 3.28Å; L293-T296 PolarHBondContact O-OG1 3.49Å; L293-L297 WeakPolarHBondContact O-CB 3.35Å; L293-L297 WeakPolarHBondContact O-CD1 3.44Å; L293-L297 VanDerWaalsContact O-CG 3.26Å; L293-L297 WeakPolarHBondContact O-CG 3.32Å; L293-L297 PolarHBondContact O-N 3.48Å; L293-I306 HydrophobicContact CD1-CD1 4.31Å; L293-I306 HydrophobicContact CD2-CD1 4.34Å; L293-L310 HydrophobicContact CD1-CD1 3.29Å; L293-L310 HydrophobicContact CD1-CD2 4.46Å; L293-L310 HydrophobicContact CD1-CG 4.47Å
294	R	87.4	Confident	90.7	Very high	137 Å²	137	71 Å²	71	52%	0.517	37%	0.369	S	S	.	.	H	α-helix	trans	-75.6	-25.6	175.6	-72.6	174.7	179.8	-142	1.9	112.9	N290 T291 H292	N290-R294 VanDerWaalsContact O-CG 3.31Å; N290-R294 WeakPolarHBondContact O-CG 3.37Å; N290-R294 PolarHBondContact O-N 3.27Å; T291-R294 PolarHBondContact O-N 3.03Å; H292-R294 VanDerWaalsContact C-N 3.34Å; H292-R294 PolarHBondContact O-N 3.29Å
295	E	89.4	Confident	90.7	Very high	148 Å²	148	65.8 Å²	65.8	69%	0.692	34%	0.341	S	S	*	.	H	α-helix	trans	-78.4	-33	176.1	-72.1	177.2	173.8	0	0	112.4	T291 H292 L293	T291-E295 PolarHBondContact O-N 3.01Å; H292-E295 PolarHBondContact O-N 3Å; L293-E295 VanDerWaalsContact C-N 3.35Å
296	T	87.1	Confident	90.6	Very high	73 Å²	73	63 Å²	63	45%	0.448	33%	0.325	S	S	.	.	H	α-helix	trans	-81.1	-16.9	179.6	50.8	0	0	0	0	113.5	H292 L293	H292-T296 WeakPolarHBondContact O-CG2 3.26Å; H292-T296 PolarHBondContact O-N 3.4Å; H292-T296 PolarHBondContact O-OG1 3.4Å; H292-T296 VanDerWaalsContact O-OG1 3.11Å; L293-T296 WeakPolarHBondContact CA-OG1 3.28Å; L293-T296 PolarHBondContact O-OG1 3.49Å
297	L	87.6	Confident	90.5	Very high	10 Å²	10	64 Å²	64	5%	0.052	33%	0.329	C	S	.	.	S	Bend	trans	-108	152.6	-177.6	-64.7	175.3	0	0	0	112.6	Y168 L293 K304	Y168-L297 HydrophobicContact CD1-CD1 4.02Å; Y168-L297 HydrophobicContact CE1-CD1 3.61Å; Y168-L297 HydrophobicContact CE1-CD2 3.85Å; Y168-L297 HydrophobicContact CE1-CG 4.38Å; Y168-L297 HydrophobicContact CE2-CD2 3.91Å; Y168-L297 VanDerWaalsContact CZ-CD2 3.46Å; Y168-L297 WeakPolarHBondContact OH-CD2 3.49Å; L293-L297 WeakPolarHBondContact O-CB 3.35Å; L293-L297 WeakPolarHBondContact O-CD1 3.44Å; L293-L297 VanDerWaalsContact O-CG 3.26Å; L293-L297 WeakPolarHBondContact O-CG 3.32Å; L293-L297 PolarHBondContact O-N 3.48Å; L297-K304 HydrophobicContact CD1-CD 4.41Å
298	P	89.3	Confident	90.5	Very high	14 Å²	14	65.9 Å²	65.9	9%	0.091	34%	0.336	C	S	.	.			trans	-56.2	144.5	170.6	24.2	-36.1	0	0	0	112	E77 M80 L165 I300	E77-P298 HydrophobicContact CB-CG 4.36Å; E77-P298 VanDerWaalsContact O-CG 3.27Å; E77-P298 WeakPolarHBondContact O-CG 3.29Å; M80-P298 HydrophobicContact CE-CG 4.37Å; L165-P298 HydrophobicContact CD1-CG 3.47Å; L165-P298 VanDerWaalsContact CD1-CG 3.47Å; P298-I300 HydrophobicContact CB-CD1 4.08Å; P298-I300 HydrophobicContact CB-CG1 3.86Å; P298-I300 HydrophobicContact CG-CD1 3.72Å; P298-I300 HydrophobicContact CG-CG1 3.99Å; P298-I300 PolarHBondContact O-N 3.04Å
299	K	87.2	Confident	90.5	Very high	209 Å²	209	61.9 Å²	61.9	91%	0.909	31%	0.311	S	S	*	.			trans	-79.7	96.5	172.7	-63.5	179.6	-175.9	176.6	0	109.5
300	I	87.4	Confident	90.5	Very high	36 Å²	36	60.5 Å²	60.5	19%	0.185	30%	0.304	C	S	.	.			trans	-114.2	142.9	-179.9	-45.4	-179.7	0	0	0	109.3	M80 L165 P298 Y302	M80-I300 HydrophobicContact CE-CD1 3.42Å; M80-I300 VanDerWaalsContact CE-CD1 3.42Å; M80-I300 HydrophobicContact CE-CG1 4.36Å; L165-I300 HydrophobicContact CB-CD1 4.19Å; L165-I300 HydrophobicContact CD1-CD1 3.55Å; L165-I300 HydrophobicContact CG-CD1 4.02Å; P298-I300 HydrophobicContact CB-CD1 4.08Å; P298-I300 HydrophobicContact CB-CG1 3.86Å; P298-I300 HydrophobicContact CG-CD1 3.72Å; P298-I300 HydrophobicContact CG-CG1 3.99Å; P298-I300 PolarHBondContact O-N 3.04Å; I300-Y302 VanDerWaalsContact C-N 3.28Å; I300-Y302 HydrophobicContact CB-CE1 4.36Å; I300-Y302 HydrophobicContact CB-CE2 4.34Å; I300-Y302 HydrophobicContact CD1-CE2 4.39Å; I300-Y302 WeakPolarHBondContact CD1-OH 3.49Å; I300-Y302 HydrophobicContact CG2-CD1 3.57Å; I300-Y302 HydrophobicContact CG2-CD2 4.3Å; I300-Y302 HydrophobicContact CG2-CE1 3.16Å; I300-Y302 HydrophobicContact CG2-CE2 3.93Å; I300-Y302 HydrophobicContact CG2-CG 4.13Å; I300-Y302 PolarHBondContact O-N 3.47Å
301	P	86.4	Confident	90.6	Very high	138 Å²	138	64.1 Å²	64.1	90%	0.896	32%	0.321	S	S	*	.	S	Bend	trans	-71	-12.8	-173.8	25.9	-37.8	0	0	0	115.8
302	Y	89.1	Confident	90.7	Very high	71 Å²	71	61.6 Å²	61.6	28%	0.278	31%	0.308	S	S	.	.	S	Bend	trans	-94.6	156	179.8	54	-110.6	0	0	0	112.9	L165 R166 I300 K304	L165-Y302 HydrophobicContact CB-CE2 4.15Å; L165-Y302 PolarHBondContact N-OH 3.42Å; L165-Y302 VanDerWaalsContact N-OH 3.1Å; R166-Y302 HydrophobicContact CG-CD1 4.45Å; R166-Y302 HydrophobicContact CG-CD2 3.66Å; R166-Y302 HydrophobicContact CG-CE2 3.79Å; R166-Y302 HydrophobicContact CG-CG 4.03Å; I300-Y302 VanDerWaalsContact C-N 3.28Å; I300-Y302 HydrophobicContact CB-CE1 4.36Å; I300-Y302 HydrophobicContact CB-CE2 4.34Å; I300-Y302 HydrophobicContact CD1-CE2 4.39Å; I300-Y302 WeakPolarHBondContact CD1-OH 3.49Å; I300-Y302 HydrophobicContact CG2-CD1 3.57Å; I300-Y302 HydrophobicContact CG2-CD2 4.3Å; I300-Y302 HydrophobicContact CG2-CE1 3.16Å; I300-Y302 HydrophobicContact CG2-CE2 3.93Å; I300-Y302 HydrophobicContact CG2-CG 4.13Å; I300-Y302 PolarHBondContact O-N 3.47Å; Y302-K304 HydrophobicContact CE2-CG 4.45Å
303	V	90	Very high	90.9	Very high	104 Å²	104	56.7 Å²	56.7	63%	0.63	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-76.2	129.2	177.1	-176.6	0	0	0	0	109.8	D307	V303-D307 HydrophobicContact CG1-CB 4.16Å
304	K	93.1	Very high	91.2	Very high	13 Å²	13	58.9 Å²	58.9	6%	0.057	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-90	154.4	175.9	-57.7	-179.7	-65.8	-58.3	0	110.6	L165 L297 Y302 I306 D307 M308	L165-K304 HydrophobicContact CB-CD 4.42Å; L297-K304 HydrophobicContact CD1-CD 4.41Å; Y302-K304 HydrophobicContact CE2-CG 4.45Å; K304-I306 VanDerWaalsContact C-N 3.28Å; K304-I306 HydrophobicContact CB-CG2 4.02Å; K304-I306 PolarHBondContact O-N 3.07Å; K304-D307 HydrophobicContact CB-CB 4.47Å; K304-D307 WeakPolarHBondContact CB-OD2 3.32Å; K304-D307 WeakPolarHBondContact CE-OD2 3.28Å; K304-D307 PolarHBondContact N-OD2 3.08Å; K304-D307 IonicContact NZ-OD1 3.01Å; K304-D307 PolarHBondContact NZ-OD1 3.34Å; K304-D307 IonicContact NZ-OD2 3.42Å; K304-D307 PolarHBondContact NZ-OD2 3.49Å; K304-D307 WeakPolarHBondContact O-CB 3.48Å; K304-D307 PolarHBondContact O-N 3.22Å; K304-M308 PolarHBondContact O-N 2.64Å; K304-M308 VanDerWaalsContact O-N 3.09Å
305	A	93.8	Very high	91.6	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-53.4	-46	176	0	0	0	0	0	112.3	R166 D307 M308 Y309 Y467 Y471	R166-A305 PolarHBondContact O-N 3.32Å; A305-D307 VanDerWaalsContact C-N 3.29Å; A305-D307 PolarHBondContact O-N 3.22Å; A305-M308 WeakPolarHBondContact O-CB 3.3Å; A305-M308 PolarHBondContact O-N 3.25Å; A305-M308 VanDerWaalsContact O-N 3.13Å; A305-Y309 PolarHBondContact O-N 2.74Å; A305-Y467 WeakPolarHBondContact O-CE2 3.42Å; A305-Y467 PolarHBondContact O-OH 2.95Å; A305-Y471 HydrophobicContact CB-CD1 3.48Å; A305-Y471 VanDerWaalsContact CB-CD1 3.48Å; A305-Y471 HydrophobicContact CB-CD2 4.27Å; A305-Y471 HydrophobicContact CB-CE1 3.27Å; A305-Y471 HydrophobicContact CB-CE2 4.1Å; A305-Y471 HydrophobicContact CB-CG 3.99Å
306	I	93.5	Very high	91.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.4	-38.1	174.8	-161	167.7	0	0	0	113.2	Y168 T250 L293 K304 M308 Y309 L310	Y168-I306 HydrophobicContact CD1-CB 4.35Å; Y168-I306 HydrophobicContact CD1-CD1 4.47Å; Y168-I306 HydrophobicContact CD1-CG2 3.78Å; Y168-I306 HydrophobicContact CE1-CD1 4.17Å; Y168-I306 HydrophobicContact CE1-CG2 4.32Å; Y168-I306 PolarHBondContact O-N 3.19Å; Y168-I306 VanDerWaalsContact O-N 3.11Å; T250-I306 HydrophobicContact CG2-CD1 4.04Å; T250-I306 HydrophobicContact CG2-CG1 4.37Å; L293-I306 HydrophobicContact CD1-CD1 4.31Å; L293-I306 HydrophobicContact CD2-CD1 4.34Å; K304-I306 VanDerWaalsContact C-N 3.28Å; K304-I306 HydrophobicContact CB-CG2 4.02Å; K304-I306 PolarHBondContact O-N 3.07Å; I306-M308 VanDerWaalsContact C-N 3.34Å; I306-M308 PolarHBondContact O-N 3.49Å; I306-Y309 PolarHBondContact O-N 2.99Å; I306-L310 HydrophobicContact CG1-CD1 4.04Å; I306-L310 HydrophobicContact CG1-CG 4.48Å; I306-L310 WeakPolarHBondContact O-CB 3.46Å; I306-L310 VanDerWaalsContact O-CG 3.25Å; I306-L310 WeakPolarHBondContact O-CG 3.27Å; I306-L310 PolarHBondContact O-N 3.46Å
307	D	92.6	Very high	92.3	Very high	19 Å²	19	46.8 Å²	46.8	10%	0.102	24%	0.244	C	C	.	.	H	α-helix	trans	-66.4	-40	178.4	-63.2	-33.9	0	0	0	110.1	V303 K304 A305 Y309 L310 M311	V303-D307 HydrophobicContact CG1-CB 4.16Å; K304-D307 HydrophobicContact CB-CB 4.47Å; K304-D307 WeakPolarHBondContact CB-OD2 3.32Å; K304-D307 WeakPolarHBondContact CE-OD2 3.28Å; K304-D307 PolarHBondContact N-OD2 3.08Å; K304-D307 IonicContact NZ-OD1 3.01Å; K304-D307 PolarHBondContact NZ-OD1 3.34Å; K304-D307 IonicContact NZ-OD2 3.42Å; K304-D307 PolarHBondContact NZ-OD2 3.49Å; K304-D307 WeakPolarHBondContact O-CB 3.48Å; K304-D307 PolarHBondContact O-N 3.22Å; A305-D307 VanDerWaalsContact C-N 3.29Å; A305-D307 PolarHBondContact O-N 3.22Å; D307-Y309 VanDerWaalsContact C-N 3.34Å; D307-L310 PolarHBondContact O-N 3Å; D307-M311 VanDerWaalsContact O-CB 3.26Å; D307-M311 WeakPolarHBondContact O-CB 3.34Å; D307-M311 WeakPolarHBondContact O-CG 3.29Å; D307-M311 PolarHBondContact O-N 2.87Å
308	M	93.4	Very high	92.6	Very high	96 Å²	96	50.8 Å²	50.8	47%	0.473	26%	0.261	S	S	.	.	H	α-helix	trans	-62.6	-42.3	176.2	-174.5	62.9	-170.1	0	0	111.4	K304 A305 I306 G312	K304-M308 PolarHBondContact O-N 2.64Å; K304-M308 VanDerWaalsContact O-N 3.09Å; A305-M308 WeakPolarHBondContact O-CB 3.3Å; A305-M308 PolarHBondContact O-N 3.25Å; A305-M308 VanDerWaalsContact O-N 3.13Å; I306-M308 VanDerWaalsContact C-N 3.34Å; I306-M308 PolarHBondContact O-N 3.49Å; M308-G312 PolarHBondContact O-N 3.29Å
309	Y	95.2	Very high	92.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.1	-52.1	176.7	-169.9	-98.8	0	0	0	111.8	Y251 I255 A305 I306 D307 G312 C313 F463 N464 Y467	Y251-Y309 AromaticContact CD1-CD1 3.49Å; Y251-Y309 HydrophobicContact CD1-CD1 3.49Å; Y251-Y309 VanDerWaalsContact CD1-CD1 3.49Å; Y251-Y309 HydrophobicContact CD1-CD2 4.16Å; Y251-Y309 AromaticContact CD1-CE1 3.44Å; Y251-Y309 HydrophobicContact CD1-CE1 3.44Å; Y251-Y309 VanDerWaalsContact CD1-CE1 3.44Å; Y251-Y309 HydrophobicContact CD1-CE2 4.11Å; Y251-Y309 AromaticContact CD1-CG 3.86Å; Y251-Y309 HydrophobicContact CD1-CG 3.86Å; Y251-Y309 AromaticContact CD1-CZ 3.77Å; Y251-Y309 AromaticContact CE1-CD1 3.62Å; Y251-Y309 HydrophobicContact CE1-CD1 3.62Å; Y251-Y309 AromaticContact CE1-CD2 3.91Å; Y251-Y309 HydrophobicContact CE1-CD2 3.91Å; Y251-Y309 HydrophobicContact CE1-CE1 4.04Å; Y251-Y309 HydrophobicContact CE1-CE2 4.29Å; Y251-Y309 AromaticContact CE1-CG 3.55Å; Y251-Y309 HydrophobicContact CE1-CG 3.55Å; Y251-Y309 HydrophobicContact CG-CE1 4.43Å; I255-Y309 WeakPolarHBondContact CD1-OH 3.4Å; I255-Y309 WeakPolarHBondContact CG1-OH 3.47Å; A305-Y309 PolarHBondContact O-N 2.74Å; I306-Y309 PolarHBondContact O-N 2.99Å; D307-Y309 VanDerWaalsContact C-N 3.34Å; Y309-G312 PolarHBondContact O-N 2.81Å; Y309-C313 PolarHBondContact O-N 3.33Å; Y309-F463 AromaticContact CD2-CE1 3.86Å; Y309-F463 HydrophobicContact CD2-CE1 3.86Å; Y309-F463 HydrophobicContact CD2-CZ 4.24Å; Y309-F463 AromaticContact CE2-CE1 3.89Å; Y309-F463 HydrophobicContact CE2-CE1 3.89Å; Y309-N464 WeakPolarHBondContact CE2-OD1 3.3Å; Y309-N464 PolarHBondContact OH-OD1 3.42Å; Y309-Y467 AromaticContact CD2-CD1 3.58Å; Y309-Y467 HydrophobicContact CD2-CD1 3.58Å; Y309-Y467 AromaticContact CD2-CD2 3.87Å; Y309-Y467 HydrophobicContact CD2-CD2 3.87Å; Y309-Y467 AromaticContact CD2-CE1 3.67Å; Y309-Y467 HydrophobicContact CD2-CE1 3.67Å; Y309-Y467 AromaticContact CD2-CE2 3.96Å; Y309-Y467 HydrophobicContact CD2-CE2 3.96Å; Y309-Y467 AromaticContact CD2-CG 3.69Å; Y309-Y467 HydrophobicContact CD2-CG 3.69Å; Y309-Y467 AromaticContact CD2-CZ 3.87Å; Y309-Y467 HydrophobicContact CE2-CD1 4.03Å; Y309-Y467 HydrophobicContact CE2-CE1 4.36Å; Y309-Y467 HydrophobicContact CE2-CG 4.31Å; Y309-Y467 HydrophobicContact CG-CE1 4.26Å; Y309-Y467 HydrophobicContact CG-CE2 4.28Å
310	L	94.3	Very high	93	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-67.4	-37.2	-177.6	-70.5	172.4	0	0	0	112.9	T250 S254 M286 I289 N290 L293 I306 D307 G312 C313 F314	T250-L310 HydrophobicContact CG2-CD1 4.43Å; T250-L310 HydrophobicContact CG2-CD2 4.04Å; S254-L310 VanDerWaalsContact OG-CD2 3.29Å; S254-L310 WeakPolarHBondContact OG-CD2 3.38Å; M286-L310 HydrophobicContact CE-CB 4.05Å; M286-L310 HydrophobicContact CE-CD2 3.65Å; M286-L310 HydrophobicContact CE-CG 4.46Å; M286-L310 WeakPolarHBondContact CE-O 3.23Å; I289-L310 HydrophobicContact CG2-CD2 4.31Å; N290-L310 VanDerWaalsContact OD1-CB 3.31Å; N290-L310 WeakPolarHBondContact OD1-CB 3.26Å; L293-L310 HydrophobicContact CD1-CD1 3.29Å; L293-L310 HydrophobicContact CD1-CD2 4.46Å; L293-L310 HydrophobicContact CD1-CG 4.47Å; I306-L310 HydrophobicContact CG1-CD1 4.04Å; I306-L310 HydrophobicContact CG1-CG 4.48Å; I306-L310 WeakPolarHBondContact O-CB 3.46Å; I306-L310 VanDerWaalsContact O-CG 3.25Å; I306-L310 WeakPolarHBondContact O-CG 3.27Å; I306-L310 PolarHBondContact O-N 3.46Å; D307-L310 PolarHBondContact O-N 3Å; L310-G312 VanDerWaalsContact C-N 3.32Å; L310-C313 PolarHBondContact O-N 3.26Å; L310-F314 VanDerWaalsContact O-CB 3.31Å; L310-F314 WeakPolarHBondContact O-CB 3.09Å; L310-F314 PolarHBondContact O-N 3.31Å
311	M	93.2	Very high	93.2	Very high	94 Å²	94	44.1 Å²	44.1	46%	0.463	24%	0.235	S	C	.	.	H	α-helix	trans	-66.4	-37.4	172.9	-69.4	-65.4	-87.7	0	0	111	D307 F314 V315	D307-M311 VanDerWaalsContact O-CB 3.26Å; D307-M311 WeakPolarHBondContact O-CB 3.34Å; D307-M311 WeakPolarHBondContact O-CG 3.29Å; D307-M311 PolarHBondContact O-N 2.87Å; M311-F314 PolarHBondContact O-N 2.92Å; M311-V315 WeakPolarHBondContact O-CG2 3.43Å; M311-V315 PolarHBondContact O-N 3.48Å
312	G	94.7	Very high	93.5	Very high	12 Å²	12	41.4 Å²	41.4	12%	0.124	21%	0.212	C	C	.	.	H	α-helix	trans	-58.7	-53.7	171.4	0	0	0	0	0	112.3	M308 Y309 L310 F314 V315 F316	M308-G312 PolarHBondContact O-N 3.29Å; Y309-G312 PolarHBondContact O-N 2.81Å; L310-G312 VanDerWaalsContact C-N 3.32Å; G312-F314 VanDerWaalsContact C-N 3.31Å; G312-F314 PolarHBondContact O-N 3.38Å; G312-V315 PolarHBondContact O-N 2.87Å; G312-V315 VanDerWaalsContact O-N 3.15Å; G312-F316 WeakPolarHBondContact O-CD2 3.31Å; G312-F316 PolarHBondContact O-N 3.49Å; G312-F316 VanDerWaalsContact O-N 3.09Å
313	C	95.6	Very high	93.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-55.8	-43	174.5	-77	0	0	0	0	112.5	M286 Y309 L310 V315 F316 V317	M286-C313 HydrophobicContact CE-CB 3.3Å; M286-C313 HydrophobicContact SD-CB 4.14Å; Y309-C313 PolarHBondContact O-N 3.33Å; L310-C313 PolarHBondContact O-N 3.26Å; C313-V315 VanDerWaalsContact C-N 3.34Å; C313-V315 PolarHBondContact O-N 2.75Å; C313-F316 PolarHBondContact O-N 3.16Å; C313-V317 WeakPolarHBondContact O-CG2 3.43Å; C313-V317 PolarHBondContact O-N 2.83Å
314	F	95.3	Very high	93.4	Very high	59 Å²	59	35 Å²	35	26%	0.259	18%	0.177	S	C	.	.	H	α-helix	trans	-60.6	-42.4	177	179.2	-95.1	0	0	0	112.2	V283 M286 L310 M311 G312 F316 V317 F318	V283-F314 HydrophobicContact CG1-CE2 4.12Å; M286-F314 HydrophobicContact CB-CD2 4.44Å; M286-F314 HydrophobicContact CG-CB 4.1Å; M286-F314 HydrophobicContact CG-CD2 4.1Å; L310-F314 VanDerWaalsContact O-CB 3.31Å; L310-F314 WeakPolarHBondContact O-CB 3.09Å; L310-F314 PolarHBondContact O-N 3.31Å; M311-F314 PolarHBondContact O-N 2.92Å; G312-F314 VanDerWaalsContact C-N 3.31Å; G312-F314 PolarHBondContact O-N 3.38Å; F314-F316 PolarHBondContact O-N 3.02Å; F314-V317 PolarHBondContact O-N 3.23Å; F314-F318 VanDerWaalsContact O-CB 3.29Å; F314-F318 WeakPolarHBondContact O-CB 3.31Å; F314-F318 PolarHBondContact O-N 3.48Å
315	V	95.5	Very high	93.1	Very high	77 Å²	77	36.7 Å²	36.7	47%	0.467	19%	0.193	S	C	.	.	H	α-helix	trans	-61.9	-43	175.3	169.7	0	0	0	0	111.1	M311 G312 C313 F318 L319	M311-V315 WeakPolarHBondContact O-CG2 3.43Å; M311-V315 PolarHBondContact O-N 3.48Å; G312-V315 PolarHBondContact O-N 2.87Å; G312-V315 VanDerWaalsContact O-N 3.15Å; C313-V315 VanDerWaalsContact C-N 3.34Å; C313-V315 PolarHBondContact O-N 2.75Å; V315-F318 PolarHBondContact O-N 2.89Å; V315-L319 HydrophobicContact CG1-CD1 3.83Å; V315-L319 HydrophobicContact CG1-CG 4.22Å; V315-L319 WeakPolarHBondContact O-CB 3.4Å; V315-L319 VanDerWaalsContact O-CG 3.23Å; V315-L319 WeakPolarHBondContact O-CG 3.46Å; V315-L319 PolarHBondContact O-N 3.24Å
316	F	95.1	Very high	92.7	Very high	27 Å²	27	41.8 Å²	41.8	12%	0.118	22%	0.216	C	C	.	.	H	α-helix	trans	-62.5	-45.3	177.1	-79.4	-73.1	0	0	0	112.8	T258 G312 C313 F314 F318 L319 A320 F456 T459 F460 F463	T258-F316 HydrophobicContact CG2-CB 3.76Å; T258-F316 HydrophobicContact CG2-CG 4.49Å; G312-F316 WeakPolarHBondContact O-CD2 3.31Å; G312-F316 PolarHBondContact O-N 3.49Å; G312-F316 VanDerWaalsContact O-N 3.09Å; C313-F316 PolarHBondContact O-N 3.16Å; F314-F316 PolarHBondContact O-N 3.02Å; F316-F318 VanDerWaalsContact C-N 3.33Å; F316-F318 PolarHBondContact O-N 3.19Å; F316-L319 PolarHBondContact O-N 3.3Å; F316-A320 PolarHBondContact O-N 3.28Å; F316-F456 HydrophobicContact CD1-CD1 4.26Å; F316-T459 WeakPolarHBondContact CE1-OG1 3.26Å; F316-F460 AromaticContact CD2-CD2 3.72Å; F316-F460 HydrophobicContact CD2-CD2 3.72Å; F316-F460 HydrophobicContact CD2-CE2 4.35Å; F316-F460 HydrophobicContact CE1-CB 4.39Å; F316-F460 AromaticContact CE2-CD2 3.88Å; F316-F460 HydrophobicContact CE2-CD2 3.88Å; F316-F460 HydrophobicContact CG-CD2 4.19Å; F316-F460 HydrophobicContact CZ-CB 4.37Å; F316-F460 HydrophobicContact CZ-CD2 4.45Å; F316-F463 HydrophobicContact CE2-CB 4.09Å; F316-F463 HydrophobicContact CE2-CD1 4.28Å; F316-F463 HydrophobicContact CE2-CG 4.07Å; F316-F463 HydrophobicContact CZ-CB 4.32Å
317	V	95.4	Very high	92.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.6	-42.2	176.7	175.4	0	0	0	0	110.9	I257 V283 C313 F314 A320 L321	I257-V317 HydrophobicContact CG2-CG2 4.39Å; V283-V317 HydrophobicContact CB-CG1 4.43Å; V283-V317 HydrophobicContact CG2-CG1 3.69Å; C313-V317 WeakPolarHBondContact O-CG2 3.43Å; C313-V317 PolarHBondContact O-N 2.83Å; F314-V317 PolarHBondContact O-N 3.23Å; V317-A320 PolarHBondContact O-N 3.47Å; V317-L321 PolarHBondContact O-N 2.96Å; V317-L321 VanDerWaalsContact O-N 3.15Å
318	F	94.6	Very high	91.9	Very high	94 Å²	94	43.2 Å²	43.2	41%	0.412	22%	0.224	S	C	.	.	H	α-helix	trans	-65.2	-40	176.7	-176.4	-106.6	0	0	0	112.4	F314 V315 F316 A320 L321 L322	F314-F318 VanDerWaalsContact O-CB 3.29Å; F314-F318 WeakPolarHBondContact O-CB 3.31Å; F314-F318 PolarHBondContact O-N 3.48Å; V315-F318 PolarHBondContact O-N 2.89Å; F316-F318 VanDerWaalsContact C-N 3.33Å; F316-F318 PolarHBondContact O-N 3.19Å; F318-A320 VanDerWaalsContact C-N 3.33Å; F318-A320 PolarHBondContact O-N 2.85Å; F318-L321 PolarHBondContact O-N 3.15Å; F318-L322 HydrophobicContact CD1-CD1 3.81Å; F318-L322 HydrophobicContact CD1-CG 4.21Å; F318-L322 HydrophobicContact CE1-CD1 3.39Å; F318-L322 HydrophobicContact CE1-CD2 4.39Å; F318-L322 HydrophobicContact CE1-CG 3.87Å; F318-L322 HydrophobicContact CZ-CD1 4.06Å; F318-L322 HydrophobicContact CZ-CD2 4.23Å; F318-L322 HydrophobicContact CZ-CG 4.11Å; F318-L322 PolarHBondContact O-N 3.16Å
319	L	93.8	Very high	91.4	Very high	75 Å²	75	46.9 Å²	46.9	39%	0.393	23%	0.233	S	C	.	.	H	α-helix	trans	-64.2	-36.2	174.9	-74.5	172.3	0	0	0	112.1	V315 F316 L322 E323 F456	V315-L319 HydrophobicContact CG1-CD1 3.83Å; V315-L319 HydrophobicContact CG1-CG 4.22Å; V315-L319 WeakPolarHBondContact O-CB 3.4Å; V315-L319 VanDerWaalsContact O-CG 3.23Å; V315-L319 WeakPolarHBondContact O-CG 3.46Å; V315-L319 PolarHBondContact O-N 3.24Å; F316-L319 PolarHBondContact O-N 3.3Å; L319-L322 HydrophobicContact CD2-CD1 4.37Å; L319-L322 PolarHBondContact O-N 3.34Å; L319-E323 WeakPolarHBondContact O-CB 3.45Å; L319-E323 PolarHBondContact O-N 3.49Å; L319-F456 HydrophobicContact CB-CE1 3.89Å; L319-F456 HydrophobicContact CB-CZ 3.96Å
320	A	91.9	Very high	90.8	Very high	3 Å²	3	47.9 Å²	47.9	3%	0.025	24%	0.239	C	C	.	.	H	α-helix	trans	-64.6	-38.9	173.6	0	0	0	0	0	112	F265 F316 V317 F318 E323 Y324 F456	F265-A320 HydrophobicContact CE1-CB 4.34Å; F265-A320 HydrophobicContact CZ-CB 4.05Å; F316-A320 PolarHBondContact O-N 3.28Å; V317-A320 PolarHBondContact O-N 3.47Å; F318-A320 VanDerWaalsContact C-N 3.33Å; F318-A320 PolarHBondContact O-N 2.85Å; A320-E323 PolarHBondContact O-N 3.12Å; A320-Y324 PolarHBondContact O-N 3.19Å; A320-Y324 VanDerWaalsContact O-N 3.16Å; A320-F456 HydrophobicContact CB-CE1 4.22Å
321	L	91.6	Very high	89.7	Confident	41 Å²	41	50.1 Å²	50.1	22%	0.215	25%	0.248	C	C	.	.	H	α-helix	trans	-66.6	-40.2	173.4	-179.1	66.1	0	0	0	112.2	V283 V317 F318 Y324 A325	V283-L321 HydrophobicContact CG2-CD2 4.13Å; V317-L321 PolarHBondContact O-N 2.96Å; V317-L321 VanDerWaalsContact O-N 3.15Å; F318-L321 PolarHBondContact O-N 3.15Å; L321-Y324 PolarHBondContact O-N 3.48Å; L321-A325 PolarHBondContact O-N 3.38Å
322	L	91.1	Very high	88.6	Confident	81 Å²	81	50.9 Å²	50.9	42%	0.424	25%	0.249	S	C	.	.	H	α-helix	trans	-65.7	-39	176.2	-77.5	-179.1	0	0	0	112.5	F318 L319 Y324 A325 F326	F318-L322 HydrophobicContact CD1-CD1 3.81Å; F318-L322 HydrophobicContact CD1-CG 4.21Å; F318-L322 HydrophobicContact CE1-CD1 3.39Å; F318-L322 HydrophobicContact CE1-CD2 4.39Å; F318-L322 HydrophobicContact CE1-CG 3.87Å; F318-L322 HydrophobicContact CZ-CD1 4.06Å; F318-L322 HydrophobicContact CZ-CD2 4.23Å; F318-L322 HydrophobicContact CZ-CG 4.11Å; F318-L322 PolarHBondContact O-N 3.16Å; L319-L322 HydrophobicContact CD2-CD1 4.37Å; L319-L322 PolarHBondContact O-N 3.34Å; L322-Y324 VanDerWaalsContact C-N 3.32Å; L322-A325 PolarHBondContact O-N 3.43Å; L322-F326 WeakPolarHBondContact O-CB 3.4Å; L322-F326 PolarHBondContact O-N 3.29Å
323	E	90.4	Very high	87.1	Confident	18 Å²	18	52.1 Å²	52.1	8%	0.084	26%	0.262	C	S	.	.	H	α-helix	trans	-56.6	-49.2	173.1	-173.2	-75.1	158.5	0	0	110.1	F265 L319 A320 A325 F326 V327 I448	F265-E323 WeakPolarHBondContact CD1-OE2 3.48Å; F265-E323 HydrophobicContact CE1-CB 4.15Å; F265-E323 HydrophobicContact CE1-CG 3.87Å; F265-E323 VanDerWaalsContact CE1-OE2 3.27Å; F265-E323 WeakPolarHBondContact CE1-OE2 3.45Å; F265-E323 HydrophobicContact CZ-CG 4.39Å; L319-E323 WeakPolarHBondContact O-CB 3.45Å; L319-E323 PolarHBondContact O-N 3.49Å; A320-E323 PolarHBondContact O-N 3.12Å; E323-A325 PolarHBondContact O-N 3.08Å; E323-F326 WeakPolarHBondContact O-CB 3.28Å; E323-F326 PolarHBondContact O-N 2.83Å; E323-F326 VanDerWaalsContact O-N 3.14Å; E323-V327 WeakPolarHBondContact O-CG2 3.47Å; E323-V327 PolarHBondContact O-N 3.08Å; E323-V327 VanDerWaalsContact OE1-CG2 3.24Å; E323-V327 WeakPolarHBondContact OE1-CG2 3.2Å; E323-I448 WeakPolarHBondContact OE1-CG2 3.29Å
324	Y	86.6	Confident	85.3	Confident	22 Å²	22	58.3 Å²	58.3	9%	0.086	29%	0.285	C	S	.	.	H	α-helix	trans	-59.5	-46.4	176.2	164.2	-99.3	0	0	0	111.8	R275 V276 A320 L321 L322 F326 V327 N328	R275-Y324 HydrophobicContact CB-CD2 3.54Å; R275-Y324 HydrophobicContact CB-CE2 3.61Å; R275-Y324 HydrophobicContact CB-CG 4.24Å; R275-Y324 HydrophobicContact CG-CD2 4.24Å; R275-Y324 HydrophobicContact CG-CE2 4.39Å; V276-Y324 HydrophobicContact CB-CE1 4.38Å; V276-Y324 HydrophobicContact CG2-CD1 4.26Å; V276-Y324 HydrophobicContact CG2-CE1 3.25Å; V276-Y324 WeakPolarHBondContact CG2-OH 3.48Å; A320-Y324 PolarHBondContact O-N 3.19Å; A320-Y324 VanDerWaalsContact O-N 3.16Å; L321-Y324 PolarHBondContact O-N 3.48Å; L322-Y324 VanDerWaalsContact C-N 3.32Å; Y324-F326 PolarHBondContact O-N 3.02Å; Y324-V327 PolarHBondContact O-N 2.8Å; Y324-N328 HydrophobicContact CE1-CB 4.37Å; Y324-N328 HydrophobicContact CE2-CB 4.17Å; Y324-N328 VanDerWaalsContact O-CB 3.26Å; Y324-N328 WeakPolarHBondContact O-CB 3.24Å; Y324-N328 PolarHBondContact O-N 2.93Å; Y324-N328 PolarHBondContact OH-OD1 2.71Å
325	A	87.7	Confident	83.6	Confident	48 Å²	48	56.5 Å²	56.5	40%	0.397	28%	0.284	S	S	.	.	H	α-helix	trans	-59.5	-38.2	178.7	0	0	0	0	0	111.6	L321 L322 E323 Y329	L321-A325 PolarHBondContact O-N 3.38Å; L322-A325 PolarHBondContact O-N 3.43Å; E323-A325 PolarHBondContact O-N 3.08Å; A325-Y329 VanDerWaalsContact O-CB 3.29Å; A325-Y329 WeakPolarHBondContact O-CB 3.42Å; A325-Y329 PolarHBondContact O-N 3.3Å
326	F	86.3	Confident	81.9	Confident	108 Å²	108	56.7 Å²	56.7	47%	0.474	29%	0.286	S	S	.	.	H	α-helix	trans	-67.8	-46.5	176.4	-176	-105	0	0	0	112.5	L322 E323 Y324 N328 Y329 I330 I448	L322-F326 WeakPolarHBondContact O-CB 3.4Å; L322-F326 PolarHBondContact O-N 3.29Å; E323-F326 WeakPolarHBondContact O-CB 3.28Å; E323-F326 PolarHBondContact O-N 2.83Å; E323-F326 VanDerWaalsContact O-N 3.14Å; Y324-F326 PolarHBondContact O-N 3.02Å; F326-N328 VanDerWaalsContact C-N 3.34Å; F326-N328 PolarHBondContact O-N 2.87Å; F326-Y329 PolarHBondContact O-N 3.02Å; F326-I330 HydrophobicContact CD1-CD1 4Å; F326-I330 HydrophobicContact CE1-CD1 3.41Å; F326-I330 VanDerWaalsContact CE1-CD1 3.41Å; F326-I330 HydrophobicContact CE1-CG1 4.47Å; F326-I330 HydrophobicContact CE2-CD1 4.13Å; F326-I330 HydrophobicContact CZ-CD1 3.49Å; F326-I330 VanDerWaalsContact CZ-CD1 3.49Å; F326-I330 HydrophobicContact CZ-CG1 4.4Å; F326-I330 PolarHBondContact O-N 3.04Å; F326-I448 HydrophobicContact CD1-CD1 4.39Å; F326-I448 HydrophobicContact CE1-CD1 3.98Å
327	V	85.1	Confident	80.2	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.012	31%	0.308	C	S	.	.	H	α-helix	trans	-57.8	-47.3	174.1	164.8	0	0	0	0	110.8	E323 Y324 Y329 I330 F331 V445 I448	E323-V327 WeakPolarHBondContact O-CG2 3.47Å; E323-V327 PolarHBondContact O-N 3.08Å; E323-V327 VanDerWaalsContact OE1-CG2 3.24Å; E323-V327 WeakPolarHBondContact OE1-CG2 3.2Å; Y324-V327 PolarHBondContact O-N 2.8Å; V327-Y329 PolarHBondContact O-N 3.33Å; V327-I330 PolarHBondContact O-N 3.32Å; V327-F331 WeakPolarHBondContact O-CB 3.5Å; V327-F331 PolarHBondContact O-N 2.87Å; V327-V445 HydrophobicContact CG1-CG1 3.66Å; V327-I448 HydrophobicContact CG2-CG2 4.06Å
328	N	83.4	Confident	78.3	Confident	47 Å²	47	66.6 Å²	66.6	25%	0.251	33%	0.328	S	S	.	.	H	α-helix	trans	-63.5	-41.6	179.3	-166.1	58.6	0	0	0	111.9	Y324 F326 F331 F332	Y324-N328 HydrophobicContact CE1-CB 4.37Å; Y324-N328 HydrophobicContact CE2-CB 4.17Å; Y324-N328 VanDerWaalsContact O-CB 3.26Å; Y324-N328 WeakPolarHBondContact O-CB 3.24Å; Y324-N328 PolarHBondContact O-N 2.93Å; Y324-N328 PolarHBondContact OH-OD1 2.71Å; F326-N328 VanDerWaalsContact C-N 3.34Å; F326-N328 PolarHBondContact O-N 2.87Å; N328-F331 PolarHBondContact O-N 3.21Å; N328-F332 PolarHBondContact O-N 3.14Å; N328-F332 WeakPolarHBondContact OD1-CD2 3.36Å; N328-F332 WeakPolarHBondContact OD1-CE2 3.45Å
329	Y	83.7	Confident	76.7	Confident	173 Å²	173	69.2 Å²	69.2	68%	0.678	34%	0.342	S	S	*	.	H	α-helix	trans	-64.7	-43.4	177	178.5	-99.6	0	0	0	112.5	A325 F326 V327 F331 G333	A325-Y329 VanDerWaalsContact O-CB 3.29Å; A325-Y329 WeakPolarHBondContact O-CB 3.42Å; A325-Y329 PolarHBondContact O-N 3.3Å; F326-Y329 PolarHBondContact O-N 3.02Å; V327-Y329 PolarHBondContact O-N 3.33Å; Y329-F331 VanDerWaalsContact C-N 3.33Å; Y329-F331 PolarHBondContact O-N 3.36Å; Y329-G333 VanDerWaalsContact O-CA 3.23Å; Y329-G333 WeakPolarHBondContact O-CA 3.47Å; Y329-G333 PolarHBondContact O-N 2.81Å
330	I	80.8	Confident	75.3	Confident	21 Å²	21	72.2 Å²	72.2	11%	0.108	35%	0.352	C	S	.	.	H	α-helix	trans	-63.3	-42.7	176.4	-71.5	-179.6	0	0	0	110.6	F326 V327 R334 V445 I448	F326-I330 HydrophobicContact CD1-CD1 4Å; F326-I330 HydrophobicContact CE1-CD1 3.41Å; F326-I330 VanDerWaalsContact CE1-CD1 3.41Å; F326-I330 HydrophobicContact CE1-CG1 4.47Å; F326-I330 HydrophobicContact CE2-CD1 4.13Å; F326-I330 HydrophobicContact CZ-CD1 3.49Å; F326-I330 VanDerWaalsContact CZ-CD1 3.49Å; F326-I330 HydrophobicContact CZ-CG1 4.4Å; F326-I330 PolarHBondContact O-N 3.04Å; V327-I330 PolarHBondContact O-N 3.32Å; I330-R334 WeakPolarHBondContact O-CB 3.43Å; I330-R334 PolarHBondContact O-N 3.22Å; I330-V445 HydrophobicContact CG2-CG2 4.11Å; I330-I448 HydrophobicContact CD1-CD1 4.31Å
331	F	72.5	Confident	74.1	Confident	50 Å²	50	78.3 Å²	78.3	22%	0.219	38%	0.377	C	S	.	.	H	α-helix	trans	-68.8	-56.3	-178.8	-177.7	-102.5	0	0	0	112.6	Y269 V327 N328 Y329 G335	Y269-F331 AromaticContact CD2-CD2 3.98Å; Y269-F331 HydrophobicContact CD2-CD2 3.98Å; Y269-F331 HydrophobicContact CD2-CE1 4.45Å; Y269-F331 AromaticContact CD2-CE2 3.88Å; Y269-F331 HydrophobicContact CD2-CE2 3.88Å; Y269-F331 HydrophobicContact CD2-CG 4.31Å; Y269-F331 HydrophobicContact CD2-CZ 4.12Å; Y269-F331 AromaticContact CE2-CD2 3.81Å; Y269-F331 HydrophobicContact CE2-CD2 3.81Å; Y269-F331 HydrophobicContact CE2-CE1 4.42Å; Y269-F331 AromaticContact CE2-CE2 3.32Å; Y269-F331 HydrophobicContact CE2-CE2 3.32Å; Y269-F331 AromaticContact CE2-CZ 3.67Å; Y269-F331 HydrophobicContact CE2-CZ 3.67Å; V327-F331 WeakPolarHBondContact O-CB 3.5Å; V327-F331 PolarHBondContact O-N 2.87Å; N328-F331 PolarHBondContact O-N 3.21Å; Y329-F331 VanDerWaalsContact C-N 3.33Å; Y329-F331 PolarHBondContact O-N 3.36Å; F331-G335 VanDerWaalsContact O-CA 3.26Å; F331-G335 WeakPolarHBondContact O-CA 3.46Å; F331-G335 PolarHBondContact O-N 2.94Å
332	F	69.1	Low	72.8	Confident	111 Å²	111	81.2 Å²	81.2	49%	0.487	39%	0.393	S	S	.	.	H	α-helix	trans	-77.7	-26.9	-178.4	-75.5	-79.8	0	0	0	113.5	N328 R334 P336	N328-F332 PolarHBondContact O-N 3.14Å; N328-F332 WeakPolarHBondContact OD1-CD2 3.36Å; N328-F332 WeakPolarHBondContact OD1-CE2 3.45Å; F332-R334 VanDerWaalsContact C-N 3.33Å; F332-P336 WeakPolarHBondContact O-CD 3.28Å; F332-P336 WeakPolarHBondContact O-CG 3.43Å
333	G	63.8	Low	71.8	Confident	38 Å²	38	80.3 Å²	80.3	39%	0.392	40%	0.397	S	S	.	.	H	α-helix	trans	-70.8	-26.2	174.6	0	0	0	0	0	113.5	Y329	Y329-G333 VanDerWaalsContact O-CA 3.23Å; Y329-G333 WeakPolarHBondContact O-CA 3.47Å; Y329-G333 PolarHBondContact O-N 2.81Å
334	R	57.5	Low	71	Confident	129 Å²	129	84.3 Å²	84.3	49%	0.487	42%	0.415	S	S	.	.	H	α-helix	trans	-112	-17.9	177.5	-68.1	-170.5	162	117.4	-0.1	115	I330 F332 Q337 R338	I330-R334 WeakPolarHBondContact O-CB 3.43Å; I330-R334 PolarHBondContact O-N 3.22Å; F332-R334 VanDerWaalsContact C-N 3.33Å; R334-Q337 PolarHBondContact O-N 2.99Å; R334-R338 WeakPolarHBondContact O-CB 3.42Å; R334-R338 PolarHBondContact O-N 3.05Å
335	G	59.8	Low	70.5	Confident	22 Å²	22	90.5 Å²	90.5	23%	0.227	44%	0.443	C	S	.	.	H	α-helix	trans	-55	-51.7	178.9	0	0	0	0	0	113.7	F331 Q337 R338 Q339	F331-G335 VanDerWaalsContact O-CA 3.26Å; F331-G335 WeakPolarHBondContact O-CA 3.46Å; F331-G335 PolarHBondContact O-N 2.94Å; G335-Q337 VanDerWaalsContact C-N 3.33Å; G335-Q337 PolarHBondContact O-N 3.03Å; G335-R338 PolarHBondContact O-N 3.17Å; G335-Q339 PolarHBondContact O-N 3.27Å
336	P	59	Low	69.8	Low	81 Å²	81	92.7 Å²	92.7	53%	0.526	45%	0.451	S	S	.	.	H	α-helix	trans	-63.9	-36.6	176.9	-20.7	31.3	0	0	0	112.6	F332 K340	F332-P336 WeakPolarHBondContact O-CD 3.28Å; F332-P336 WeakPolarHBondContact O-CG 3.43Å; P336-K340 VanDerWaalsContact O-CB 3.25Å; P336-K340 WeakPolarHBondContact O-CB 3.49Å; P336-K340 PolarHBondContact O-N 2.91Å
337	Q	59.3	Low	69.3	Low	124 Å²	124	90.3 Å²	90.3	58%	0.579	45%	0.452	S	S	*	.	H	α-helix	trans	-70.6	-32.4	178	-66	-166.3	1.5	0	0	112.4	R334 G335 K341	R334-Q337 PolarHBondContact O-N 2.99Å; G335-Q337 VanDerWaalsContact C-N 3.33Å; G335-Q337 PolarHBondContact O-N 3.03Å; Q337-K341 WeakPolarHBondContact O-CB 3.24Å; Q337-K341 WeakPolarHBondContact O-CG 3.35Å; Q337-K341 PolarHBondContact O-N 2.99Å
338	R	56.4	Low	68.8	Low	110 Å²	110	97.4 Å²	97.4	42%	0.415	48%	0.483	S	S	.	.	H	α-helix	trans	-80.6	-39.5	179.3	-160.4	176	-179.9	158	6.1	111.8	R334 G335 K340 K341 L342 D441	R334-R338 WeakPolarHBondContact O-CB 3.42Å; R334-R338 PolarHBondContact O-N 3.05Å; G335-R338 PolarHBondContact O-N 3.17Å; R338-K340 VanDerWaalsContact C-N 3.33Å; R338-K341 PolarHBondContact O-N 3.32Å; R338-L342 WeakPolarHBondContact O-CB 3.36Å; R338-L342 PolarHBondContact O-N 3.26Å; R338-D441 IonicContact CZ-OD1 3.17Å; R338-D441 IonicContact NH1-OD1 2.76Å; R338-D441 PolarHBondContact NH1-OD1 3.06Å; R338-D441 IonicContact NH2-OD1 2.7Å; R338-D441 PolarHBondContact NH2-OD1 3.04Å; R338-D441 IonicContact NH2-OD2 3.87Å
339	Q	60.9	Low	68.3	Low	150 Å²	150	97.8 Å²	97.8	70%	0.701	49%	0.493	S	S	*	.	H	α-helix	trans	-60.7	-42.7	169.7	-76	-178.2	1.3	0	0	111.2	G335 K341 L342 A343	G335-Q339 PolarHBondContact O-N 3.27Å; Q339-K341 PolarHBondContact O-N 3.14Å; Q339-L342 PolarHBondContact O-N 2.98Å; Q339-A343 VanDerWaalsContact O-CB 3.26Å; Q339-A343 WeakPolarHBondContact O-CB 3.27Å; Q339-A343 PolarHBondContact O-N 2.89Å
340	K	64.3	Low	67.7	Low	138 Å²	138	97.4 Å²	97.4	60%	0.6	49%	0.494	S	S	*	.	H	α-helix	trans	-61.9	-42.7	174.4	-166.4	173.2	-179.3	177.3	0	112.3	P336 R338 A343 E344	P336-K340 VanDerWaalsContact O-CB 3.25Å; P336-K340 WeakPolarHBondContact O-CB 3.49Å; P336-K340 PolarHBondContact O-N 2.91Å; R338-K340 VanDerWaalsContact C-N 3.33Å; K340-A343 PolarHBondContact O-N 3.31Å; K340-E344 WeakPolarHBondContact O-CB 3.15Å; K340-E344 VanDerWaalsContact O-CG 3.26Å; K340-E344 WeakPolarHBondContact O-CG 3.4Å; K340-E344 PolarHBondContact O-N 3.47Å
341	K	65.9	Low	67.1	Low	130 Å²	130	101.4 Å²	101.4	57%	0.565	52%	0.516	S	S	*	.	H	α-helix	trans	-68.8	-34.9	175.6	-80.2	178.8	179.2	176.5	0	114	Q337 R338 Q339 K345	Q337-K341 WeakPolarHBondContact O-CB 3.24Å; Q337-K341 WeakPolarHBondContact O-CG 3.35Å; Q337-K341 PolarHBondContact O-N 2.99Å; R338-K341 PolarHBondContact O-N 3.32Å; Q339-K341 PolarHBondContact O-N 3.14Å; K341-K345 WeakPolarHBondContact O-CB 3.45Å; K341-K345 WeakPolarHBondContact O-CG 3.45Å; K341-K345 PolarHBondContact O-N 2.9Å
342	L	65.5	Low	66.6	Low	103 Å²	103	104.2 Å²	104.2	54%	0.539	53%	0.533	S	S	.	.	H	α-helix	trans	-70.2	-44.9	174	-115.1	79.1	0	0	0	110.5	R338 Q339 E344 K345 T346	R338-L342 WeakPolarHBondContact O-CB 3.36Å; R338-L342 PolarHBondContact O-N 3.26Å; Q339-L342 PolarHBondContact O-N 2.98Å; L342-E344 VanDerWaalsContact C-N 3.31Å; L342-E344 PolarHBondContact O-N 3.36Å; L342-K345 PolarHBondContact O-N 2.7Å; L342-K345 VanDerWaalsContact O-N 3.13Å; L342-T346 PolarHBondContact O-N 3.14Å; L342-T346 PolarHBondContact O-OG1 3.41Å
343	A	70.3	Confident	66.1	Low	61 Å²	61	108.5 Å²	108.5	50%	0.504	55%	0.546	S	S	.	.	H	α-helix	trans	-59.5	-41.3	174.5	0	0	0	0	0	111.7	Q339 K340 T346 A347	Q339-A343 VanDerWaalsContact O-CB 3.26Å; Q339-A343 WeakPolarHBondContact O-CB 3.27Å; Q339-A343 PolarHBondContact O-N 2.89Å; K340-A343 PolarHBondContact O-N 3.31Å; A343-T346 PolarHBondContact O-N 2.74Å; A343-A347 WeakPolarHBondContact O-CB 3.49Å; A343-A347 PolarHBondContact O-N 3.08Å
344	E	73.6	Confident	65.8	Low	102 Å²	102	109.3 Å²	109.3	48%	0.477	55%	0.546	S	S	.	.	H	α-helix	trans	-65.2	-37.3	173.7	-78.1	172	-171.1	0	0	112.9	K340 L342 K348	K340-E344 WeakPolarHBondContact O-CB 3.15Å; K340-E344 VanDerWaalsContact O-CG 3.26Å; K340-E344 WeakPolarHBondContact O-CG 3.4Å; K340-E344 PolarHBondContact O-N 3.47Å; L342-E344 VanDerWaalsContact C-N 3.31Å; L342-E344 PolarHBondContact O-N 3.36Å; E344-K348 WeakPolarHBondContact O-CB 3.29Å; E344-K348 WeakPolarHBondContact O-CG 3.43Å; E344-K348 PolarHBondContact O-N 3.39Å
345	K	74.7	Confident	65.7	Low	152 Å²	152	110.1 Å²	110.1	66%	0.661	55%	0.553	S	S	*	*	H	α-helix	trans	-70.7	-41.6	175.4	-79.8	-177.7	177.4	-170.7	0	112.3	K341 L342 K348 A349	K341-K345 WeakPolarHBondContact O-CB 3.45Å; K341-K345 WeakPolarHBondContact O-CG 3.45Å; K341-K345 PolarHBondContact O-N 2.9Å; L342-K345 PolarHBondContact O-N 2.7Å; L342-K345 VanDerWaalsContact O-N 3.13Å; K345-K348 PolarHBondContact O-N 2.85Å; K345-A349 WeakPolarHBondContact O-CB 3.47Å; K345-A349 PolarHBondContact O-N 3.22Å
346	T	74.4	Confident	65.2	Low	94 Å²	94	112.9 Å²	112.9	58%	0.577	57%	0.569	S	S	*	*	H	α-helix	trans	-68.2	-37.9	176	-51.7	0	0	0	0	110.9	L342 A343 A349 K350	L342-T346 PolarHBondContact O-N 3.14Å; L342-T346 PolarHBondContact O-OG1 3.41Å; A343-T346 PolarHBondContact O-N 2.74Å; T346-A349 PolarHBondContact O-N 3.47Å; T346-K350 WeakPolarHBondContact O-CB 3.41Å; T346-K350 PolarHBondContact O-N 3.34Å
347	A	74.8	Confident	64.8	Low	59 Å²	59	116.6 Å²	116.6	49%	0.488	58%	0.579	S	S	.	*	H	α-helix	trans	-64	-41.2	172.1	0	0	0	0	0	111.9	A343 K350 N351	A343-A347 WeakPolarHBondContact O-CB 3.49Å; A343-A347 PolarHBondContact O-N 3.08Å; A347-K350 PolarHBondContact O-N 3.18Å; A347-N351 WeakPolarHBondContact O-CB 3.08Å; A347-N351 PolarHBondContact O-N 3.42Å
348	K	75.9	Confident	64.3	Low	150 Å²	150	114.7 Å²	114.7	65%	0.652	58%	0.58	S	S	*	*	H	α-helix	trans	-64.1	-44.2	172.7	-81.2	-178.9	176.4	-176.7	0	112.6	E344 K345 K350 N351 D352	E344-K348 WeakPolarHBondContact O-CB 3.29Å; E344-K348 WeakPolarHBondContact O-CG 3.43Å; E344-K348 PolarHBondContact O-N 3.39Å; K345-K348 PolarHBondContact O-N 2.85Å; K348-K350 VanDerWaalsContact C-N 3.3Å; K348-K350 PolarHBondContact O-N 2.91Å; K348-N351 CarbonylContact O-C 3.51Å; K348-N351 PolarHBondContact O-N 2.96Å; K348-N351 VanDerWaalsContact O-N 3.14Å; K348-D352 PolarHBondContact O-N 2.93Å
349	A	72.4	Confident	63.9	Low	56 Å²	56	116.3 Å²	116.3	46%	0.463	60%	0.596	S	S	.	*	H	α-helix	trans	-63.6	-34.8	176.7	0	0	0	0	0	112.7	K345 T346 R353	K345-A349 WeakPolarHBondContact O-CB 3.47Å; K345-A349 PolarHBondContact O-N 3.22Å; T346-A349 PolarHBondContact O-N 3.47Å; A349-R353 PolarHBondContact O-N 2.81Å; A349-R353 VanDerWaalsContact O-N 3.08Å
350	K	70.5	Confident	63.3	Low	165 Å²	165	119.1 Å²	119.1	72%	0.717	60%	0.601	S	S	*	*	H	α-helix	trans	-69.8	-35.3	174.2	-148.9	176.4	-174.4	-176.6	0	111.8	T346 A347 K348 S354	T346-K350 WeakPolarHBondContact O-CB 3.41Å; T346-K350 PolarHBondContact O-N 3.34Å; A347-K350 PolarHBondContact O-N 3.18Å; K348-K350 VanDerWaalsContact C-N 3.3Å; K348-K350 PolarHBondContact O-N 2.91Å; K350-S354 PolarHBondContact O-N 3.45Å; K350-S354 VanDerWaalsContact O-N 3.13Å; K350-S354 PolarHBondContact O-OG 3Å
351	N	67.6	Low	62.4	Low	105 Å²	105	118.4 Å²	118.4	56%	0.561	61%	0.607	S	S	*	*	H	α-helix	trans	-76.2	-30.5	176.9	-150	15.1	0	0	0	113.1	A347 K348 S354 K355	A347-N351 WeakPolarHBondContact O-CB 3.08Å; A347-N351 PolarHBondContact O-N 3.42Å; K348-N351 CarbonylContact O-C 3.51Å; K348-N351 PolarHBondContact O-N 2.96Å; K348-N351 VanDerWaalsContact O-N 3.14Å; N351-S354 WeakPolarHBondContact CA-OG 3.44Å; N351-S354 PolarHBondContact O-OG 3.33Å; N351-S354 PolarHBondContact OD1-OG 3.36Å; N351-K355 WeakPolarHBondContact O-CB 3.42Å; N351-K355 PolarHBondContact O-N 3.28Å; N351-K355 VanDerWaalsContact O-N 3.07Å
352	D	61.9	Low	61.5	Low	109 Å²	109	119 Å²	119	58%	0.583	62%	0.617	S	S	*	*	H	α-helix	trans	-73.8	-34.3	172.6	-74.3	-24.9	0	0	0	111.5	K348 S356	K348-D352 PolarHBondContact O-N 2.93Å; D352-S356 PolarHBondContact O-N 2.6Å
353	R	59.9	Low	60.9	Low	201 Å²	201	119 Å²	119	76%	0.758	63%	0.632	S	S	*	*	H	α-helix	trans	-64.9	-43.3	170.3	-86.3	-175.6	173.6	-179.4	-2.2	112.5	A349 S356 E357	A349-R353 PolarHBondContact O-N 2.81Å; A349-R353 VanDerWaalsContact O-N 3.08Å; R353-S356 PolarHBondContact O-N 3.27Å; R353-E357 PolarHBondContact O-N 2.97Å
354	S	58	Low	60	Low	54 Å²	54	124 Å²	124	38%	0.378	64%	0.644	S	S	.	*	H	α-helix	trans	-68.2	-33	176.6	62.2	0	0	0	0	113	K350 N351 E357 S358	K350-S354 PolarHBondContact O-N 3.45Å; K350-S354 VanDerWaalsContact O-N 3.13Å; K350-S354 PolarHBondContact O-OG 3Å; N351-S354 WeakPolarHBondContact CA-OG 3.44Å; N351-S354 PolarHBondContact O-OG 3.33Å; N351-S354 PolarHBondContact OD1-OG 3.36Å; S354-E357 PolarHBondContact O-N 3.28Å; S354-S358 WeakPolarHBondContact O-CB 3.33Å; S354-S358 PolarHBondContact O-N 2.97Å
355	K	54.7	Low	58.9	Low	146 Å²	146	122.8 Å²	122.8	64%	0.635	66%	0.66	S	S	*	*	H	α-helix	trans	-66.5	-34.5	170.2	-104	-177.7	174.1	-178.6	0	113.2	N351	N351-K355 WeakPolarHBondContact O-CB 3.42Å; N351-K355 PolarHBondContact O-N 3.28Å; N351-K355 VanDerWaalsContact O-N 3.07Å
356	S	50	Low	57.4	Low	81 Å²	81	122.9 Å²	122.9	57%	0.566	67%	0.667	S	S	*	*	H	α-helix	trans	-74.1	-29	176.6	-169.2	0	0	0	0	113	D352 R353	D352-S356 PolarHBondContact O-N 2.6Å; R353-S356 PolarHBondContact O-N 3.27Å
357	E	50.4	Low	56	Low	158 Å²	158	126.3 Å²	126.3	74%	0.738	68%	0.681	S	S	*	*	H	α-helix	trans	-75.6	-35.1	170.7	-91	-178.4	144.7	0	0	112.5	R353 S354 N359 R360	R353-E357 PolarHBondContact O-N 2.97Å; S354-E357 PolarHBondContact O-N 3.28Å; E357-N359 PolarHBondContact O-N 3.49Å; E357-R360 PolarHBondContact O-N 3.44Å
358	S	49	Very low	54.3	Low	85 Å²	85	130.6 Å²	130.6	59%	0.594	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-13.7	178.3	-175.7	0	0	0	0	114.5	S354	S354-S358 WeakPolarHBondContact O-CB 3.33Å; S354-S358 PolarHBondContact O-N 2.97Å
359	N	47.4	Very low	52.6	Low	143 Å²	143	131 Å²	131	77%	0.765	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	14.3	-178.4	-87.3	0.4	0	0	0	114	E357	E357-N359 PolarHBondContact O-N 3.49Å
360	R	48.6	Very low	51.1	Low	209 Å²	209	133.6 Å²	133.6	79%	0.789	71%	0.713	S	S	*	*			trans	-113.5	64.5	171.2	-72.3	-171.7	175.3	178.6	-1.3	111.4	E357	E357-R360 PolarHBondContact O-N 3.44Å
361	V	45.5	Very low	49.5	Very low	123 Å²	123	130.7 Å²	130.7	75%	0.745	71%	0.714	S	S	*	*			trans	-128.4	104.6	167	-133.8	0	0	0	0	107.5
362	D	46.5	Very low	47.9	Very low	143 Å²	143	133.5 Å²	133.5	77%	0.765	73%	0.728	S	S	*	*			trans	-68.8	154.2	170.3	-74.6	-35.6	0	0	0	110.1	H364	D362-H364 PolarHBondContact O-N 3.07Å
363	A	51.9	Low	46.4	Very low	103 Å²	103	136.7 Å²	136.7	85%	0.851	74%	0.739	S	S	*	*	S	Bend	trans	-66.1	4	-173.9	0	0	0	0	0	115.3
364	H	51.9	Low	45.1	Very low	165 Å²	165	132.6 Å²	132.6	76%	0.764	74%	0.736	S	S	*	*	S	Bend	trans	-129.7	106.6	176.1	-69.8	23.2	0	0	0	107.9	D362 N366	D362-H364 PolarHBondContact O-N 3.07Å; H364-N366 PolarHBondContact O-N 2.67Å
365	G	50.9	Low	43.8	Very low	78 Å²	78	138.4 Å²	138.4	80%	0.804	76%	0.757	S	S	*	*			trans	-67.6	81.6	-164.2	0	0	0	0	0	116.3
366	N	43.2	Very low	42.6	Very low	154 Å²	154	137.8 Å²	137.8	82%	0.824	76%	0.761	S	S	*	*			trans	-122.5	131	165	-67	-15	0	0	0	110.3	H364 L368	H364-N366 PolarHBondContact O-N 2.67Å; N366-L368 PolarHBondContact O-N 2.99Å
367	I	44	Very low	41.5	Very low	166 Å²	166	142.9 Å²	142.9	85%	0.851	78%	0.775	S	S	*	*			trans	-76.8	119.1	178.7	-67.1	165.1	0	0	0	109.3	L369	I367-L369 PolarHBondContact O-N 3.48Å
368	L	39.4	Very low	40.5	Very low	148 Å²	148	141.8 Å²	141.8	78%	0.775	77%	0.772	S	S	*	*			trans	-90.1	103.2	176.8	-146.5	157	0	0	0	109.2	N366 T370	N366-L368 PolarHBondContact O-N 2.99Å; L368-T370 PolarHBondContact O-N 2.99Å
369	L	41.7	Very low	39.4	Very low	160 Å²	160	145.9 Å²	145.9	84%	0.838	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-63.6	116.5	171.7	-113.1	105.5	0	0	0	109.2	I367	I367-L369 PolarHBondContact O-N 3.48Å
370	T	40.5	Very low	38.5	Very low	110 Å²	110	146.5 Å²	146.5	68%	0.675	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-91.8	131.2	167.8	-55.4	0	0	0	0	108.9	L368 L372	L368-T370 PolarHBondContact O-N 2.99Å; T370-L372 PolarHBondContact O-N 3.24Å
371	S	35.5	Very low	37.6	Very low	104 Å²	104	143.1 Å²	143.1	73%	0.727	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-63	128.2	179.8	54.4	0	0	0	0	111.8	E373	S371-E373 PolarHBondContact O-N 3.31Å
372	L	34.7	Very low	36.8	Very low	164 Å²	164	143.4 Å²	143.4	86%	0.859	80%	0.795	S	S	*	*			trans	-67.5	103.4	166.6	-104	145.1	0	0	0	109.1	T370 V374	T370-L372 PolarHBondContact O-N 3.24Å; L372-V374 PolarHBondContact O-N 2.82Å
373	E	30.8	Very low	35.9	Very low	175 Å²	175	140.1 Å²	140.1	82%	0.818	80%	0.795	S	S	*	*			trans	-78.3	108.7	160	-94.6	-177.8	158	0	0	108.8	S371 H375	S371-E373 PolarHBondContact O-N 3.31Å; E373-H375 PolarHBondContact O-N 3.38Å
374	V	32.8	Very low	34.8	Very low	116 Å²	116	139.1 Å²	139.1	70%	0.703	80%	0.795	S	S	*	*			trans	-74.9	107.1	171.1	174.5	0	0	0	0	107.7	L372 N376	L372-V374 PolarHBondContact O-N 2.82Å; V374-N376 HydrophobicContact CG1-CB 4.31Å
375	H	30	Very low	33.7	Very low	176 Å²	176	139.9 Å²	139.9	82%	0.815	80%	0.803	S	S	*	*			trans	-95.2	105.9	158.2	-107.7	61.6	0	0	0	108.4	E373	E373-H375 PolarHBondContact O-N 3.38Å
376	N	29.1	Very low	32.8	Very low	132 Å²	132	139.5 Å²	139.5	71%	0.706	80%	0.799	S	S	*	*			trans	-91.5	108.3	174.6	-165.5	32.8	0	0	0	107.4	V374	V374-N376 HydrophobicContact CG1-CB 4.31Å
377	E	28.1	Very low	32	Very low	188 Å²	188	139.5 Å²	139.5	88%	0.879	80%	0.799	S	S	*	*			trans	-114	121	158.1	-78.7	-160.2	158.2	0	0	109.4
378	M	28.5	Very low	31.4	Very low	136 Å²	136	138.4 Å²	138.4	67%	0.67	80%	0.8	S	S	*	*			trans	-89.2	132.2	-169.1	-175.7	172.4	162.4	0	0	108.2	E380	M378-E380 HydrophobicContact CE-CG 3.9Å
379	N	27.1	Very low	31	Very low	171 Å²	171	142.3 Å²	142.3	91%	0.914	81%	0.805	S	S	*	*			trans	-135.9	108.4	160.8	-146.3	25.9	0	0	0	108.2
380	E	27.8	Very low	30.5	Very low	156 Å²	156	142.6 Å²	142.6	73%	0.729	81%	0.807	S	S	*	*			trans	-76	125	-176.6	-84	-179.7	137.2	0	0	112.8	M378	M378-E380 HydrophobicContact CE-CG 3.9Å
381	V	30.1	Very low	30	Very low	138 Å²	138	142.6 Å²	142.6	84%	0.836	81%	0.811	S	S	*	*			trans	23.2	122.1	131.2	177.7	0	0	0	0	120.1
382	S	28.3	Very low	29.8	Very low	128 Å²	128	142.7 Å²	142.7	90%	0.895	82%	0.818	S	S	*	*				-165.2	129.4	126	-156.3	0	0	0	0	106.3
383	G	28.4	Very low	29.7	Very low	74 Å²	74	142.4 Å²	142.4	76%	0.763	82%	0.816	S	S	*	*			cis	147	120.1	17.1	0	0	0	0	0	104.3
384	G	27.4	Very low	29.7	Very low	83 Å²	83	138.6 Å²	138.6	86%	0.856	81%	0.809	S	S	*	*			trans	165.9	96	179.3	0	0	0	0	0	115.4
385	I	30.4	Very low	29.6	Very low	181 Å²	181	142.4 Å²	142.4	93%	0.928	82%	0.816	S	S	*	*			trans	-65.6	144.1	173.7	-68.9	162.4	0	0	0	111.1
386	G	30.3	Very low	29.4	Very low	70 Å²	70	140.9 Å²	140.9	72%	0.722	81%	0.814	S	S	*	*			trans	177.5	86	166.7	0	0	0	0	0	113.2
387	D	27.9	Very low	29.4	Very low	153 Å²	153	142.2 Å²	142.2	82%	0.818	82%	0.821	S	S	*	*			trans	-52.8	141.3	164.8	-85.9	-43.3	0	0	0	111.7
388	T	31.5	Very low	29.6	Very low	143 Å²	143	138.4 Å²	138.4	88%	0.877	82%	0.816	S	S	*	*			trans	-159.2	121	136.5	13.1	0	0	0	0	110.7
389	R	30.3	Very low	29.6	Very low	231 Å²	231	135.4 Å²	135.4	87%	0.872	82%	0.819	S	S	*	*			trans	-59.5	138.7	173.4	-62.4	154.2	97.3	138.5	0.5	109.6
390	N	31.8	Very low	29.8	Very low	166 Å²	166	134.7 Å²	134.7	89%	0.888	81%	0.814	S	S	*	*			trans	-152.5	119.7	132.6	-102.4	-10.4	0	0	0	111.5
391	S	30.3	Very low	29.9	Very low	109 Å²	109	135.6 Å²	135.6	76%	0.762	82%	0.818	S	S	*	*			trans	-73.9	139.2	-178.7	35.6	0	0	0	0	112.9
392	A	30.9	Very low	29.8	Very low	106 Å²	106	140.5 Å²	140.5	88%	0.876	82%	0.823	S	S	*	*			trans	-153.5	116.3	142.7	0	0	0	0	0	109.8
393	I	32.5	Very low	29.7	Very low	159 Å²	159	143.6 Å²	143.6	82%	0.815	82%	0.815	S	S	*	*			trans	-75.9	139.3	176.1	-71.8	164.9	0	0	0	109
394	S	31.1	Very low	29.7	Very low	95 Å²	95	149.3 Å²	149.3	66%	0.664	82%	0.819	S	S	*	*			trans	-65.2	144.5	167.7	45	0	0	0	0	113.2
395	F	29.5	Very low	29.6	Very low	196 Å²	196	152.5 Å²	152.5	86%	0.86	81%	0.812	S	S	*	*			trans	-163	148.7	136.4	-107.7	-73.3	0	0	0	112.5
396	D	27.3	Very low	29.4	Very low	144 Å²	144	148.6 Å²	148.6	77%	0.77	80%	0.8	S	S	*	*			trans	-45.8	154	-178.8	-83.5	-49	0	0	0	117.6
397	N	27.9	Very low	29.4	Very low	159 Å²	159	153 Å²	153	85%	0.85	80%	0.804	S	S	*	*				-156.2	133	127.8	-141.7	5.1	0	0	0	114.4
398	S	32.3	Very low	29.9	Very low	109 Å²	109	151.1 Å²	151.1	76%	0.762	80%	0.8	S	S	*	*			trans	-85.3	145.7	168.5	50.3	0	0	0	0	112
399	G	29.6	Very low	29.8	Very low	72 Å²	72	155 Å²	155	74%	0.742	80%	0.798	S	S	*	*			trans	171.1	90.7	168.6	0	0	0	0	0	118.4
400	I	29.7	Very low	29.6	Very low	156 Å²	156	152 Å²	152	80%	0.8	80%	0.795	S	S	*	*				49.3	114	128.8	-53.9	177.4	0	0	0	121.7
401	Q	30.3	Very low	29.5	Very low	175 Å²	175	147.9 Å²	147.9	82%	0.818	79%	0.791	S	S	*	*			trans	29	135.1	134.2	-60.3	178.3	-24.5	0	0	123.1
402	Y	29	Very low	29.4	Very low	242 Å²	242	151.8 Å²	151.8	95%	0.949	80%	0.797	S	S	*	*			trans	-137.4	148.8	139	-107.2	-88.2	0	0	0	112.8
403	R	26	Very low	29.3	Very low	192 Å²	192	150.3 Å²	150.3	73%	0.725	79%	0.792	S	S	*	*			trans	-107.6	153.1	-161	159.7	-174.5	-179.2	165.9	2.8	112.6
404	K	27.1	Very low	29.2	Very low	195 Å²	195	153.8 Å²	153.8	85%	0.848	80%	0.795	S	S	*	*			trans	-176.9	107	136.4	-106.5	175.2	178.2	179.7	0	109.4
405	Q	25.3	Very low	29	Very low	150 Å²	150	157.3 Å²	157.3	70%	0.701	80%	0.799	S	S	*	*				88	121.4	69.9	-163.6	166.3	4.9	0	0	113.1
406	S	26.3	Very low	29.1	Very low	98 Å²	98	155.6 Å²	155.6	69%	0.685	80%	0.798	S	S	*	*			trans	-121.1	173.1	-174	50.1	0	0	0	0	112.4
407	M	29.9	Very low	29.2	Very low	164 Å²	164	152.1 Å²	152.1	81%	0.808	80%	0.796	S	S	*	*			trans	96.2	157.1	158.4	-52.4	-51.4	-97.6	0	0	117
408	P	40.4	Very low	29.2	Very low	112 Å²	112	151.7 Å²	151.7	73%	0.727	79%	0.794	S	S	*	*			cis	-132.4	-173.3	12.5	38.2	-16.2	0	0	0	113.3
409	R	28.5	Very low	29.1	Very low	224 Å²	224	157 Å²	157	85%	0.845	80%	0.797	S	S	*	*			cis	-170.9	164.2	32.4	-157	170	173.1	166.8	-3.7	111.4
410	E	26.4	Very low	29	Very low	170 Å²	170	158.4 Å²	158.4	79%	0.794	80%	0.796	S	S	*	*			trans	-67.5	165	-173.6	-59	156.7	122.4	0	0	118
411	G	28.3	Very low	29.1	Very low	78 Å²	78	158.7 Å²	158.7	80%	0.804	80%	0.798	S	S	*	*			trans	-169.2	118	159.2	0	0	0	0	0	113
412	H	29.1	Very low	29.3	Very low	191 Å²	191	156.2 Å²	156.2	88%	0.884	80%	0.797	S	S	*	*			trans	-63.9	161.8	-171	-80	18.5	0	0	0	118.5
413	G	29.8	Very low	29.4	Very low	76 Å²	76	153.6 Å²	153.6	78%	0.784	79%	0.793	S	S	*	*			trans	138.3	87.4	134.4	0	0	0	0	0	121.1
414	R	28.6	Very low	29.7	Very low	231 Å²	231	154.1 Å²	154.1	87%	0.872	80%	0.8	S	S	*	*			trans	25	134.1	139	-71.3	-174.7	-170.6	178	3.8	124.4
415	F	28.3	Very low	29.9	Very low	169 Å²	169	154.3 Å²	154.3	74%	0.741	80%	0.801	S	S	*	*			trans	95.7	118.7	130.6	-96	-109.5	0	0	0	123.8
416	L	30.8	Very low	30.1	Very low	161 Å²	161	153.6 Å²	153.6	84%	0.843	81%	0.807	S	S	*	*			trans	45.1	137	139.9	-71.6	175.4	0	0	0	124
417	G	30.2	Very low	30.5	Very low	71 Å²	71	157.6 Å²	157.6	73%	0.732	82%	0.815	S	S	*	*			trans	127.6	87.6	153.5	0	0	0	0	0	113.5
418	D	28.3	Very low	30.8	Very low	150 Å²	150	157.8 Å²	157.8	80%	0.802	82%	0.818	S	S	*	*				91.2	150.1	95.9	-152.7	12.1	0	0	0	114.1
419	R	29.4	Very low	30.5	Very low	219 Å²	219	162.2 Å²	162.2	83%	0.826	82%	0.82	S	S	*	*			trans	-48.7	144.7	-159.2	-64.1	143.2	106.8	167.4	4.4	117.6
420	S	27.3	Very low	30.9	Very low	103 Å²	103	163.3 Å²	163.3	72%	0.72	83%	0.825	S	S	*	*				150.1	149.5	102.2	61.4	0	0	0	0	115.2
421	L	32.8	Very low	31.2	Very low	162 Å²	162	165.7 Å²	165.7	85%	0.848	83%	0.826	S	S	*	*			trans	93.7	127.4	158.7	-69.4	146.8	0	0	0	120.3
422	P	33	Very low	31.6	Very low	123 Å²	123	166.8 Å²	166.8	80%	0.799	82%	0.822	S	S	*	*			trans	-96.5	128.1	-174.5	36.3	-29.3	0	0	0	112.4
423	H	31.8	Very low	31.8	Very low	187 Å²	187	163.2 Å²	163.2	87%	0.866	82%	0.818	S	S	*	*			trans	-92.6	110.4	168	-127.2	-44.4	0	0	0	110.2	K425	H423-K425 PolarHBondContact O-N 3.49Å
424	K	31.1	Very low	32	Very low	202 Å²	202	167.3 Å²	167.3	88%	0.878	82%	0.817	S	S	*	*			trans	-54.6	118.7	167.4	-82.5	175.2	174.1	174	0	110
425	K	31.5	Very low	32.4	Very low	200 Å²	200	163.7 Å²	163.7	87%	0.87	81%	0.814	S	S	*	*			trans	-108	113.8	159.9	-77.6	-174.7	177.9	178.5	0	109.3	H423 H427	H423-K425 PolarHBondContact O-N 3.49Å; K425-H427 PolarHBondContact O-N 2.92Å
426	T	30	Very low	32.5	Very low	134 Å²	134	164.2 Å²	164.2	82%	0.822	82%	0.816	S	S	*	*			trans	-58.6	120.5	174.4	39	0	0	0	0	111.5	L428	T426-L428 PolarHBondContact O-N 2.88Å
427	H	34.1	Very low	33.1	Very low	182 Å²	182	162.2 Å²	162.2	84%	0.843	81%	0.805	S	S	*	*			trans	-82.5	104.9	173.9	-151.4	-82.1	0	0	0	109.1	K425 R429	K425-H427 PolarHBondContact O-N 2.92Å; H427-R429 PolarHBondContact O-N 3.48Å
428	L	36.6	Very low	33.7	Very low	169 Å²	169	168.5 Å²	168.5	89%	0.885	81%	0.812	S	S	*	*			trans	-70.2	94	170.3	-85.1	163	0	0	0	109.3	T426 R430	T426-L428 PolarHBondContact O-N 2.88Å; L428-R430 PolarHBondContact O-N 3.4Å
429	R	35	Very low	34.7	Very low	204 Å²	204	165.3 Å²	165.3	77%	0.77	79%	0.794	S	S	*	*			trans	-74.8	98.6	170.9	-176.5	176.6	173.1	-175.2	-0.5	108.8	H427 R431	H427-R429 PolarHBondContact O-N 3.48Å; R429-R431 PolarHBondContact O-N 2.7Å
430	R	36.6	Very low	35.5	Very low	247 Å²	247	158.4 Å²	158.4	93%	0.932	78%	0.778	S	S	*	*			trans	-60.8	99.1	168	-123.2	177.9	-178	175.7	0.4	108.7	L428 S432	L428-R430 PolarHBondContact O-N 3.4Å; R430-S432 PolarHBondContact O-N 2.76Å
431	R	32.7	Very low	36.3	Very low	220 Å²	220	157.8 Å²	157.8	83%	0.83	77%	0.766	S	S	*	*			trans	-75.5	96.1	165.9	-93.7	-178.8	160.4	179.2	-4.4	107.6	R429 S433	R429-R431 PolarHBondContact O-N 2.7Å; R431-S433 PolarHBondContact O-N 3.47Å
432	S	35.8	Very low	37.1	Very low	101 Å²	101	154.4 Å²	154.4	71%	0.706	75%	0.749	S	S	*	*			trans	-76.7	114.3	155.7	53	0	0	0	0	107.5	R430 Q434	R430-S432 PolarHBondContact O-N 2.76Å; S432-Q434 PolarHBondContact O-N 3.01Å
433	S	33.4	Very low	38.1	Very low	117 Å²	117	153.4 Å²	153.4	82%	0.818	74%	0.741	S	S	*	*			trans	-64.9	97.7	168.9	46.9	0	0	0	0	108.4	R431 L435	R431-S433 PolarHBondContact O-N 3.47Å; S433-L435 PolarHBondContact O-N 3.34Å
434	Q	35.4	Very low	39.3	Very low	162 Å²	162	146.7 Å²	146.7	76%	0.757	71%	0.711	S	S	*	*			trans	-68.2	100.7	165.3	-71.9	-169	-2.8	0	0	107.9	S432 K436	S432-Q434 PolarHBondContact O-N 3.01Å; Q434-K436 PolarHBondContact O-N 3.22Å
435	L	35.6	Very low	40.7	Very low	154 Å²	154	137.6 Å²	137.6	81%	0.806	67%	0.672	S	S	*	*			trans	-68	94.4	162.4	-139.3	151.5	0	0	0	105.8	S433 I437	S433-L435 PolarHBondContact O-N 3.34Å; L435-I437 HydrophobicContact CD2-CG1 4.07Å; L435-I437 PolarHBondContact O-N 3.36Å
436	K	32	Very low	42.4	Very low	180 Å²	180	132.1 Å²	132.1	78%	0.783	65%	0.653	S	S	*	*			trans	-77.6	77.7	-173.7	-153.4	178.4	-169.1	-179.5	0	107.9	Q434 K438	Q434-K436 PolarHBondContact O-N 3.22Å; K436-K438 PolarHBondContact O-N 3.32Å
437	I	42.5	Very low	44.4	Very low	120 Å²	120	127 Å²	127	62%	0.615	62%	0.623	S	S	*	*			trans	-67.3	105.7	168.1	-49.6	178.9	0	0	0	106.1	L435 I439	L435-I437 HydrophobicContact CD2-CG1 4.07Å; L435-I437 PolarHBondContact O-N 3.36Å; I437-I439 HydrophobicContact CB-CD1 4.32Å; I437-I439 HydrophobicContact CB-CG1 4.29Å; I437-I439 HydrophobicContact CG2-CD1 3.76Å; I437-I439 HydrophobicContact CG2-CG1 3.58Å; I437-I439 PolarHBondContact O-N 3.4Å; I437-I439 VanDerWaalsContact O-N 3.17Å
438	K	43.5	Very low	46.6	Very low	203 Å²	203	120.4 Å²	120.4	88%	0.883	59%	0.594	S	S	*	*			trans	-69.6	104.9	173.5	-128.4	174.4	176.6	-175.3	0	106.1	K436	K436-K438 PolarHBondContact O-N 3.32Å
439	I	49.2	Very low	48.8	Very low	83 Å²	83	112.4 Å²	112.4	43%	0.426	55%	0.552	S	S	.	*			trans	-121.9	141	177.2	-60.5	177.9	0	0	0	106.8	I437	I437-I439 HydrophobicContact CB-CD1 4.32Å; I437-I439 HydrophobicContact CB-CG1 4.29Å; I437-I439 HydrophobicContact CG2-CD1 3.76Å; I437-I439 HydrophobicContact CG2-CG1 3.58Å; I437-I439 PolarHBondContact O-N 3.4Å; I437-I439 VanDerWaalsContact O-N 3.17Å
440	P	45.9	Very low	51.2	Low	74 Å²	74	111 Å²	111	48%	0.481	55%	0.547	S	S	.	.			trans	-109.9	-177.5	-131.8	30.9	-10.7	0	0	0	111.5	D444	P440-D444 VanDerWaalsContact C-OD2 3.27Å; P440-D444 HydrophobicContact CB-CB 3.77Å; P440-D444 WeakPolarHBondContact CB-OD1 3.4Å; P440-D444 WeakPolarHBondContact CB-OD2 3.39Å; P440-D444 HydrophobicContact CG-CB 3.46Å; P440-D444 VanDerWaalsContact CG-CB 3.46Å; P440-D444 WeakPolarHBondContact CG-OD1 3.5Å
441	D	43.6	Very low	53.5	Low	89 Å²	89	107.9 Å²	107.9	48%	0.476	54%	0.535	S	S	.	.			trans	-79.5	-175.3	-159.3	-149.2	-22.6	0	0	0	112.7	R338 T443 D444	R338-D441 IonicContact CZ-OD1 3.17Å; R338-D441 IonicContact NH1-OD1 2.76Å; R338-D441 PolarHBondContact NH1-OD1 3.06Å; R338-D441 IonicContact NH2-OD1 2.7Å; R338-D441 PolarHBondContact NH2-OD1 3.04Å; R338-D441 IonicContact NH2-OD2 3.87Å; D441-T443 PolarHBondContact O-N 3.21Å; D441-T443 VanDerWaalsContact O-N 3.08Å; D441-D444 PolarHBondContact N-OD2 3.12Å; D441-D444 WeakPolarHBondContact O-CA 3.22Å; D441-D444 WeakPolarHBondContact O-CB 3.41Å; D441-D444 PolarHBondContact O-N 3.29Å
442	L	49.3	Very low	56.2	Low	91 Å²	91	98 Å²	98	48%	0.476	50%	0.5	S	S	.	.	H	α-helix	trans	-58.9	-23.7	-178.8	-143.7	84	0	0	0	112.8	D444	L442-D444 PolarHBondContact O-N 3.48Å
443	T	54.1	Low	58.7	Low	103 Å²	103	97.2 Å²	97.2	63%	0.632	48%	0.482	S	S	*	.	H	α-helix	trans	-60.7	-25.2	168.3	42.4	0	0	0	0	113	D441 A447	D441-T443 PolarHBondContact O-N 3.21Å; D441-T443 VanDerWaalsContact O-N 3.08Å; T443-A447 WeakPolarHBondContact O-CB 3.26Å; T443-A447 PolarHBondContact O-N 2.73Å
444	D	56.9	Low	61.4	Low	46 Å²	46	97.2 Å²	97.2	25%	0.246	47%	0.471	C	S	.	.	H	α-helix	trans	-90	-23.1	-171.9	-66.5	-84.9	0	0	0	115	P440 D441 L442 N446 A447 I448	P440-D444 VanDerWaalsContact C-OD2 3.27Å; P440-D444 HydrophobicContact CB-CB 3.77Å; P440-D444 WeakPolarHBondContact CB-OD1 3.4Å; P440-D444 WeakPolarHBondContact CB-OD2 3.39Å; P440-D444 HydrophobicContact CG-CB 3.46Å; P440-D444 VanDerWaalsContact CG-CB 3.46Å; P440-D444 WeakPolarHBondContact CG-OD1 3.5Å; D441-D444 PolarHBondContact N-OD2 3.12Å; D441-D444 WeakPolarHBondContact O-CA 3.22Å; D441-D444 WeakPolarHBondContact O-CB 3.41Å; D441-D444 PolarHBondContact O-N 3.29Å; L442-D444 PolarHBondContact O-N 3.48Å; D444-N446 VanDerWaalsContact C-N 3.34Å; D444-A447 HydrophobicContact CB-CB 4.49Å; D444-A447 CarbonylContact O-C 3.6Å; D444-A447 WeakPolarHBondContact O-CA 3.5Å; D444-A447 WeakPolarHBondContact O-CB 3.45Å; D444-A447 PolarHBondContact O-N 3.09Å; D444-A447 VanDerWaalsContact O-N 3.14Å; D444-I448 VanDerWaalsContact O-CG1 3.28Å; D444-I448 WeakPolarHBondContact O-CG1 3.23Å; D444-I448 PolarHBondContact O-N 2.99Å
445	V	61.7	Low	64.1	Low	10 Å²	10	92.7 Å²	92.7	6%	0.061	46%	0.455	C	S	.	.	H	α-helix	trans	-66	-44.1	168.6	-179.8	0	0	0	0	109.6	Y269 V327 I330 A447 I448 D449	Y269-V445 HydrophobicContact CD1-CG1 4.43Å; V327-V445 HydrophobicContact CG1-CG1 3.66Å; I330-V445 HydrophobicContact CG2-CG2 4.11Å; V445-A447 PolarHBondContact O-N 2.96Å; V445-I448 PolarHBondContact O-N 3.47Å; V445-D449 PolarHBondContact O-N 3.2Å
446	N	65.8	Low	66.9	Low	86 Å²	86	86.5 Å²	86.5	46%	0.46	42%	0.421	S	S	.	.	H	α-helix	trans	-66.5	-26	169.7	-77.7	-13.6	0	0	0	112.6	D444 R450	D444-N446 VanDerWaalsContact C-N 3.34Å; N446-R450 WeakPolarHBondContact O-CB 3.44Å; N446-R450 PolarHBondContact O-N 3.01Å
447	A	73.8	Confident	69.7	Low	25 Å²	25	80.3 Å²	80.3	21%	0.207	40%	0.4	C	S	.	.	H	α-helix	trans	-71.8	-40.4	173	0	0	0	0	0	111.7	T443 D444 V445 R450 W451	T443-A447 WeakPolarHBondContact O-CB 3.26Å; T443-A447 PolarHBondContact O-N 2.73Å; D444-A447 HydrophobicContact CB-CB 4.49Å; D444-A447 CarbonylContact O-C 3.6Å; D444-A447 WeakPolarHBondContact O-CA 3.5Å; D444-A447 WeakPolarHBondContact O-CB 3.45Å; D444-A447 PolarHBondContact O-N 3.09Å; D444-A447 VanDerWaalsContact O-N 3.14Å; V445-A447 PolarHBondContact O-N 2.96Å; A447-R450 WeakPolarHBondContact O-CB 3.19Å; A447-R450 PolarHBondContact O-N 2.89Å; A447-W451 PolarHBondContact O-N 3.23Å
448	I	79.8	Confident	72.2	Confident	44 Å²	44	81.3 Å²	81.3	23%	0.226	40%	0.4	C	S	.	.	H	α-helix	trans	-60.1	-53.6	176.2	-67	159.6	0	0	0	109.6	E323 F326 V327 I330 D444 V445 R450 W451 S452	E323-I448 WeakPolarHBondContact OE1-CG2 3.29Å; F326-I448 HydrophobicContact CD1-CD1 4.39Å; F326-I448 HydrophobicContact CE1-CD1 3.98Å; V327-I448 HydrophobicContact CG2-CG2 4.06Å; I330-I448 HydrophobicContact CD1-CD1 4.31Å; D444-I448 VanDerWaalsContact O-CG1 3.28Å; D444-I448 WeakPolarHBondContact O-CG1 3.23Å; D444-I448 PolarHBondContact O-N 2.99Å; V445-I448 PolarHBondContact O-N 3.47Å; I448-R450 PolarHBondContact O-N 3.4Å; I448-W451 PolarHBondContact O-N 3.07Å; I448-W451 VanDerWaalsContact O-N 3.16Å; I448-S452 WeakPolarHBondContact O-CB 3.41Å; I448-S452 PolarHBondContact O-N 2.82Å; I448-S452 PolarHBondContact O-OG 3.48Å
449	D	83	Confident	74.7	Confident	2 Å²	2	74 Å²	74	1%	0.011	37%	0.372	C	S	.	.	H	α-helix	trans	-56.6	-39.2	175.5	-80.8	-33.7	0	0	0	110.9	R275 V445 S452 R453	R275-D449 IonicContact CZ-OD2 3.63Å; R275-D449 IonicContact NH1-OD1 3.33Å; R275-D449 PolarHBondContact NH1-OD1 3.28Å; R275-D449 IonicContact NH1-OD2 3.42Å; R275-D449 PolarHBondContact NH1-OD2 3.24Å; R275-D449 IonicContact NH2-OD1 3.8Å; R275-D449 IonicContact NH2-OD2 2.81Å; R275-D449 PolarHBondContact NH2-OD2 3.4Å; V445-D449 PolarHBondContact O-N 3.2Å; D449-S452 PolarHBondContact O-N 2.83Å; D449-R453 WeakPolarHBondContact O-CG 3.07Å; D449-R453 PolarHBondContact O-N 2.91Å
450	R	84.2	Confident	76.9	Confident	175 Å²	175	70.7 Å²	70.7	66%	0.66	36%	0.355	S	S	*	.	H	α-helix	trans	-65.7	-41.8	178.2	-177.3	-175.8	-69.3	-169.7	-3.2	113	N446 A447 I448	N446-R450 WeakPolarHBondContact O-CB 3.44Å; N446-R450 PolarHBondContact O-N 3.01Å; A447-R450 WeakPolarHBondContact O-CB 3.19Å; A447-R450 PolarHBondContact O-N 2.89Å; I448-R450 PolarHBondContact O-N 3.4Å
451	W	85.8	Confident	79.2	Confident	180 Å²	180	70.8 Å²	70.8	68%	0.682	36%	0.357	S	S	*	.	H	α-helix	trans	-70.5	-42.5	176.2	-82.1	100.8	0	0	0	111	A447 I448 R453 I454 V455	A447-W451 PolarHBondContact O-N 3.23Å; I448-W451 PolarHBondContact O-N 3.07Å; I448-W451 VanDerWaalsContact O-N 3.16Å; W451-R453 VanDerWaalsContact C-N 3.26Å; W451-R453 PolarHBondContact O-N 3Å; W451-I454 PolarHBondContact O-N 3.34Å; W451-V455 HydrophobicContact CE3-CG2 4.43Å; W451-V455 WeakPolarHBondContact O-CG2 3.18Å; W451-V455 PolarHBondContact O-N 3.49Å
452	S	88.6	Confident	81.7	Confident	13 Å²	13	70.8 Å²	70.8	9%	0.091	36%	0.357	C	S	.	.	H	α-helix	trans	-57.3	-38.4	176.8	-63	0	0	0	0	112.1	I448 D449 I454 F456	I448-S452 WeakPolarHBondContact O-CB 3.41Å; I448-S452 PolarHBondContact O-N 2.82Å; I448-S452 PolarHBondContact O-OG 3.48Å; D449-S452 PolarHBondContact O-N 2.83Å; S452-I454 PolarHBondContact O-N 3.25Å; S452-F456 WeakPolarHBondContact O-CB 3.35Å; S452-F456 WeakPolarHBondContact O-CD2 3.43Å; S452-F456 PolarHBondContact O-N 3.14Å; S452-F456 VanDerWaalsContact O-N 3.1Å
453	R	89.8	Confident	83.9	Confident	85 Å²	85	68.4 Å²	68.4	32%	0.321	34%	0.342	S	S	.	.	H	α-helix	trans	-59.4	-25.6	175.3	-74.1	168.9	-159.1	-174.1	5.1	114.7	F265 D449 W451 P457	F265-R453 HydrophobicContact CB-CG 3.97Å; F265-R453 PolarHBondContact O-NE 2.93Å; F265-R453 VanDerWaalsContact O-NE 3.08Å; F265-R453 PolarHBondContact O-NH2 3.12Å; D449-R453 WeakPolarHBondContact O-CG 3.07Å; D449-R453 PolarHBondContact O-N 2.91Å; W451-R453 VanDerWaalsContact C-N 3.26Å; W451-R453 PolarHBondContact O-N 3Å; R453-P457 VanDerWaalsContact O-CD 3.27Å; R453-P457 WeakPolarHBondContact O-CD 3.38Å; R453-P457 WeakPolarHBondContact O-CG 3.36Å
454	I	89.6	Confident	85.8	Confident	116 Å²	116	64.5 Å²	64.5	60%	0.595	32%	0.318	S	S	*	.	H	α-helix	trans	-98.8	-45.3	-179.9	-60.1	173.3	0	0	0	110	W451 S452 F458	W451-I454 PolarHBondContact O-N 3.34Å; S452-I454 PolarHBondContact O-N 3.25Å; I454-F458 VanDerWaalsContact O-CB 3.24Å; I454-F458 WeakPolarHBondContact O-CB 3.39Å; I454-F458 PolarHBondContact O-N 2.84Å
455	V	92.3	Very high	87.6	Confident	68 Å²	68	67.2 Å²	67.2	41%	0.412	33%	0.332	S	S	.	.	H	α-helix	trans	-67.4	-43.8	-173.4	174.5	0	0	0	0	111.7	W451 F458 T459	W451-V455 HydrophobicContact CE3-CG2 4.43Å; W451-V455 WeakPolarHBondContact O-CG2 3.18Å; W451-V455 PolarHBondContact O-N 3.49Å; V455-F458 PolarHBondContact O-N 2.89Å; V455-T459 HydrophobicContact CG1-CG2 4.07Å; V455-T459 WeakPolarHBondContact O-CB 3.06Å; V455-T459 VanDerWaalsContact O-CG2 3.28Å; V455-T459 WeakPolarHBondContact O-CG2 3.5Å; V455-T459 PolarHBondContact O-N 2.87Å; V455-T459 PolarHBondContact O-OG1 3.4Å
456	F	92.6	Very high	89.2	Confident	23 Å²	23	71 Å²	71	10%	0.101	35%	0.354	C	S	.	.	H	α-helix	trans	-64.9	-52.4	-177.1	-86.2	-102.8	0	0	0	112.8	W262 F265 F316 L319 A320 S452 F458 T459 F460	W262-F456 HydrophobicContact CD2-CB 4.4Å; W262-F456 HydrophobicContact CE3-CB 3.85Å; W262-F456 HydrophobicContact CE3-CD1 4.2Å; W262-F456 HydrophobicContact CZ3-CB 4.35Å; F265-F456 HydrophobicContact CE2-CB 4.03Å; F265-F456 HydrophobicContact CE2-CD1 4.24Å; F265-F456 AromaticContact CE2-CD2 3.57Å; F265-F456 HydrophobicContact CE2-CD2 3.57Å; F265-F456 AromaticContact CE2-CE2 3.98Å; F265-F456 HydrophobicContact CE2-CE2 3.98Å; F265-F456 AromaticContact CE2-CG 3.7Å; F265-F456 HydrophobicContact CE2-CG 3.7Å; F265-F456 HydrophobicContact CE2-CZ 4.47Å; F265-F456 HydrophobicContact CZ-CD1 4.23Å; F265-F456 AromaticContact CZ-CD2 3.76Å; F265-F456 HydrophobicContact CZ-CD2 3.76Å; F265-F456 HydrophobicContact CZ-CE1 4.15Å; F265-F456 AromaticContact CZ-CE2 3.67Å; F265-F456 HydrophobicContact CZ-CE2 3.67Å; F265-F456 HydrophobicContact CZ-CG 4.04Å; F265-F456 AromaticContact CZ-CZ 3.87Å; F265-F456 HydrophobicContact CZ-CZ 3.87Å; F316-F456 HydrophobicContact CD1-CD1 4.26Å; L319-F456 HydrophobicContact CB-CE1 3.89Å; L319-F456 HydrophobicContact CB-CZ 3.96Å; A320-F456 HydrophobicContact CB-CE1 4.22Å; S452-F456 WeakPolarHBondContact O-CB 3.35Å; S452-F456 WeakPolarHBondContact O-CD2 3.43Å; S452-F456 PolarHBondContact O-N 3.14Å; S452-F456 VanDerWaalsContact O-N 3.1Å; F456-F458 VanDerWaalsContact C-N 3.32Å; F456-F458 PolarHBondContact O-N 3.39Å; F456-T459 PolarHBondContact O-N 2.83Å; F456-T459 PolarHBondContact O-OG1 2.82Å; F456-T459 VanDerWaalsContact O-OG1 3.09Å; F456-F460 WeakPolarHBondContact O-CB 3.37Å; F456-F460 PolarHBondContact O-N 3.13Å
457	P	92.8	Very high	90.6	Very high	51 Å²	51	67.2 Å²	67.2	33%	0.331	33%	0.334	S	S	.	.	H	α-helix	trans	-62	-38.8	177.5	-25.5	36.6	0	0	0	113	W262 R453 S461	W262-P457 HydrophobicContact CZ2-CB 4.42Å; W262-P457 HydrophobicContact CZ2-CG 4.34Å; R453-P457 VanDerWaalsContact O-CD 3.27Å; R453-P457 WeakPolarHBondContact O-CD 3.38Å; R453-P457 WeakPolarHBondContact O-CG 3.36Å; P457-S461 VanDerWaalsContact O-CB 3.26Å; P457-S461 WeakPolarHBondContact O-CB 3.25Å; P457-S461 PolarHBondContact O-N 2.97Å
458	F	94.3	Very high	91.6	Very high	141 Å²	141	69.6 Å²	69.6	62%	0.618	34%	0.338	S	S	*	.	H	α-helix	trans	-64.2	-49.9	178.4	178.6	-98.7	0	0	0	112	I454 V455 F456 F460 S461 L462	I454-F458 VanDerWaalsContact O-CB 3.24Å; I454-F458 WeakPolarHBondContact O-CB 3.39Å; I454-F458 PolarHBondContact O-N 2.84Å; V455-F458 PolarHBondContact O-N 2.89Å; F456-F458 VanDerWaalsContact C-N 3.32Å; F456-F458 PolarHBondContact O-N 3.39Å; F458-F460 PolarHBondContact O-N 3.34Å; F458-S461 PolarHBondContact O-N 2.95Å; F458-L462 PolarHBondContact O-N 3.08Å
459	T	95.1	Very high	92.2	Very high	50 Å²	50	72.2 Å²	72.2	31%	0.307	35%	0.352	S	S	.	.	H	α-helix	trans	-66.5	-36.5	-179.9	51.5	0	0	0	0	112.2	F316 V455 F456 L462 F463	F316-T459 WeakPolarHBondContact CE1-OG1 3.26Å; V455-T459 HydrophobicContact CG1-CG2 4.07Å; V455-T459 WeakPolarHBondContact O-CB 3.06Å; V455-T459 VanDerWaalsContact O-CG2 3.28Å; V455-T459 WeakPolarHBondContact O-CG2 3.5Å; V455-T459 PolarHBondContact O-N 2.87Å; V455-T459 PolarHBondContact O-OG1 3.4Å; F456-T459 PolarHBondContact O-N 2.83Å; F456-T459 PolarHBondContact O-OG1 2.82Å; F456-T459 VanDerWaalsContact O-OG1 3.09Å; T459-L462 PolarHBondContact O-N 2.92Å; T459-F463 WeakPolarHBondContact O-CB 2.95Å; T459-F463 PolarHBondContact O-N 3.49Å
460	F	95.7	Very high	92.7	Very high	12 Å²	12	79.4 Å²	79.4	5%	0.053	38%	0.38	C	S	.	.	H	α-helix	trans	-68.7	-38.8	174	-174.6	-108.5	0	0	0	112.6	I255 T258 W262 F316 F456 F458 F463 N464	I255-F460 HydrophobicContact CG1-CE1 4.36Å; I255-F460 HydrophobicContact CG1-CZ 4.11Å; I255-F460 HydrophobicContact CG2-CE1 4.18Å; T258-F460 HydrophobicContact CG2-CD2 3.87Å; T258-F460 HydrophobicContact CG2-CE2 3.71Å; T258-F460 HydrophobicContact CG2-CG 4.36Å; T258-F460 HydrophobicContact CG2-CZ 4.05Å; W262-F460 HydrophobicContact CH2-CB 3.63Å; W262-F460 AromaticContact CH2-CD1 3.55Å; W262-F460 HydrophobicContact CH2-CD1 3.55Å; W262-F460 HydrophobicContact CH2-CE1 4.34Å; W262-F460 AromaticContact CH2-CG 3.68Å; W262-F460 HydrophobicContact CH2-CG 3.68Å; W262-F460 HydrophobicContact CZ3-CB 3.73Å; W262-F460 HydrophobicContact CZ3-CD1 4.27Å; W262-F460 AromaticContact CZ3-CG 3.95Å; W262-F460 HydrophobicContact CZ3-CG 3.95Å; F316-F460 AromaticContact CD2-CD2 3.72Å; F316-F460 HydrophobicContact CD2-CD2 3.72Å; F316-F460 HydrophobicContact CD2-CE2 4.35Å; F316-F460 HydrophobicContact CE1-CB 4.39Å; F316-F460 AromaticContact CE2-CD2 3.88Å; F316-F460 HydrophobicContact CE2-CD2 3.88Å; F316-F460 HydrophobicContact CG-CD2 4.19Å; F316-F460 HydrophobicContact CZ-CB 4.37Å; F316-F460 HydrophobicContact CZ-CD2 4.45Å; F456-F460 WeakPolarHBondContact O-CB 3.37Å; F456-F460 PolarHBondContact O-N 3.13Å; F458-F460 PolarHBondContact O-N 3.34Å; F460-F463 HydrophobicContact CD2-CD1 4.27Å; F460-F463 HydrophobicContact CE2-CD1 4.22Å; F460-F463 WeakPolarHBondContact O-CB 3.34Å; F460-F463 PolarHBondContact O-N 3.4Å; F460-N464 WeakPolarHBondContact CD1-ND2 3.45Å; F460-N464 WeakPolarHBondContact CE1-ND2 3.49Å; F460-N464 WeakPolarHBondContact CE2-ND2 3.46Å; F460-N464 WeakPolarHBondContact CZ-ND2 3.26Å; F460-N464 PolarHBondContact O-N 3.03Å; F460-N464 PolarHBondContact O-ND2 3.41Å
461	S	94.5	Very high	93	Very high	77 Å²	77	73 Å²	73	54%	0.538	36%	0.356	S	S	.	.	H	α-helix	trans	-63.3	-43.9	174.9	-174.1	0	0	0	0	111.1	P457 F458 F463 N464 L465	P457-S461 VanDerWaalsContact O-CB 3.26Å; P457-S461 WeakPolarHBondContact O-CB 3.25Å; P457-S461 PolarHBondContact O-N 2.97Å; F458-S461 PolarHBondContact O-N 2.95Å; S461-F463 PolarHBondContact O-N 3.07Å; S461-N464 PolarHBondContact O-N 2.96Å; S461-L465 WeakPolarHBondContact O-CB 3.38Å; S461-L465 PolarHBondContact O-N 3.47Å
462	L	95.8	Very high	93.1	Very high	88 Å²	88	68.7 Å²	68.7	46%	0.461	35%	0.349	S	S	.	.	H	α-helix	trans	-60.6	-43.7	173.4	-179.1	63.9	0	0	0	111.9	F458 T459 N464 L465 V466	F458-L462 PolarHBondContact O-N 3.08Å; T459-L462 PolarHBondContact O-N 2.92Å; L462-N464 PolarHBondContact O-N 3.34Å; L462-L465 PolarHBondContact O-N 3.06Å; L462-V466 HydrophobicContact CD1-CG2 4.21Å; L462-V466 HydrophobicContact CG-CG2 4.48Å; L462-V466 WeakPolarHBondContact O-CG2 3.26Å; L462-V466 PolarHBondContact O-N 3.21Å
463	F	95.8	Very high	92.3	Very high	41 Å²	41	75.6 Å²	75.6	18%	0.18	39%	0.385	C	S	.	.	H	α-helix	trans	-57.7	-47.1	175.5	169.8	-101.6	0	0	0	112	Y309 F316 T459 F460 S461 V466 Y467	Y309-F463 AromaticContact CD2-CE1 3.86Å; Y309-F463 HydrophobicContact CD2-CE1 3.86Å; Y309-F463 HydrophobicContact CD2-CZ 4.24Å; Y309-F463 AromaticContact CE2-CE1 3.89Å; Y309-F463 HydrophobicContact CE2-CE1 3.89Å; F316-F463 HydrophobicContact CE2-CB 4.09Å; F316-F463 HydrophobicContact CE2-CD1 4.28Å; F316-F463 HydrophobicContact CE2-CG 4.07Å; F316-F463 HydrophobicContact CZ-CB 4.32Å; T459-F463 WeakPolarHBondContact O-CB 2.95Å; T459-F463 PolarHBondContact O-N 3.49Å; F460-F463 HydrophobicContact CD2-CD1 4.27Å; F460-F463 HydrophobicContact CE2-CD1 4.22Å; F460-F463 WeakPolarHBondContact O-CB 3.34Å; F460-F463 PolarHBondContact O-N 3.4Å; S461-F463 PolarHBondContact O-N 3.07Å; F463-V466 PolarHBondContact O-N 3.13Å; F463-Y467 VanDerWaalsContact O-CB 3.24Å; F463-Y467 WeakPolarHBondContact O-CB 3.35Å; F463-Y467 PolarHBondContact O-N 3.47Å
464	N	95	Very high	92.4	Very high	22 Å²	22	75.1 Å²	75.1	12%	0.118	39%	0.388	C	S	.	.	H	α-helix	trans	-62.8	-44.3	177	-81	-87.6	0	0	0	111.5	Y309 F460 S461 L462 V466 Y467 W468	Y309-N464 WeakPolarHBondContact CE2-OD1 3.3Å; Y309-N464 PolarHBondContact OH-OD1 3.42Å; F460-N464 WeakPolarHBondContact CD1-ND2 3.45Å; F460-N464 WeakPolarHBondContact CE1-ND2 3.49Å; F460-N464 WeakPolarHBondContact CE2-ND2 3.46Å; F460-N464 WeakPolarHBondContact CZ-ND2 3.26Å; F460-N464 PolarHBondContact O-N 3.03Å; F460-N464 PolarHBondContact O-ND2 3.41Å; S461-N464 PolarHBondContact O-N 2.96Å; L462-N464 PolarHBondContact O-N 3.34Å; N464-V466 PolarHBondContact O-N 3.19Å; N464-Y467 PolarHBondContact O-N 3.45Å; N464-W468 PolarHBondContact O-N 3Å
465	L	94.8	Very high	92.6	Very high	103 Å²	103	72.9 Å²	72.9	54%	0.539	38%	0.377	S	S	.	.	H	α-helix	trans	-58.8	-50	178.7	-175.7	71	0	0	0	111.2	S461 L462 Y467 L469	S461-L465 WeakPolarHBondContact O-CB 3.38Å; S461-L465 PolarHBondContact O-N 3.47Å; L462-L465 PolarHBondContact O-N 3.06Å; L465-Y467 VanDerWaalsContact C-N 3.35Å; L465-Y467 PolarHBondContact O-N 3.49Å; L465-L469 HydrophobicContact CD1-CD1 4.1Å; L465-L469 HydrophobicContact CD1-CG 4.47Å; L465-L469 HydrophobicContact CG-CD1 3.91Å; L465-L469 VanDerWaalsContact O-CB 3.31Å; L465-L469 WeakPolarHBondContact O-CB 3.38Å; L465-L469 VanDerWaalsContact O-CG 3.24Å; L465-L469 WeakPolarHBondContact O-CG 3.49Å; L465-L469 PolarHBondContact O-N 3.03Å
466	V	95.5	Very high	92.6	Very high	88 Å²	88	73.2 Å²	73.2	53%	0.533	38%	0.375	S	S	.	.	H	α-helix	trans	-62.5	-43.3	178.5	172.8	0	0	0	0	110.9	L462 F463 N464 Y470	L462-V466 HydrophobicContact CD1-CG2 4.21Å; L462-V466 HydrophobicContact CG-CG2 4.48Å; L462-V466 WeakPolarHBondContact O-CG2 3.26Å; L462-V466 PolarHBondContact O-N 3.21Å; F463-V466 PolarHBondContact O-N 3.13Å; N464-V466 PolarHBondContact O-N 3.19Å; V466-Y470 VanDerWaalsContact O-CB 3.25Å; V466-Y470 WeakPolarHBondContact O-CB 3.38Å; V466-Y470 PolarHBondContact O-N 2.91Å
467	Y	94.8	Very high	92.6	Very high	8 Å²	8	76.2 Å²	76.2	3%	0.031	39%	0.391	C	S	.	.	H	α-helix	trans	-59.5	-54.3	179.1	177.9	-93.8	0	0	0	112	Y251 A305 Y309 F463 N464 L465 L469 Y470 Y471	Y251-Y467 AromaticContact CE1-CE1 3.67Å; Y251-Y467 HydrophobicContact CE1-CE1 3.67Å; Y251-Y467 AromaticContact CE1-CZ 3.98Å; Y251-Y467 PolarHBondContact OH-OH 3.47Å; A305-Y467 WeakPolarHBondContact O-CE2 3.42Å; A305-Y467 PolarHBondContact O-OH 2.95Å; Y309-Y467 AromaticContact CD2-CD1 3.58Å; Y309-Y467 HydrophobicContact CD2-CD1 3.58Å; Y309-Y467 AromaticContact CD2-CD2 3.87Å; Y309-Y467 HydrophobicContact CD2-CD2 3.87Å; Y309-Y467 AromaticContact CD2-CE1 3.67Å; Y309-Y467 HydrophobicContact CD2-CE1 3.67Å; Y309-Y467 AromaticContact CD2-CE2 3.96Å; Y309-Y467 HydrophobicContact CD2-CE2 3.96Å; Y309-Y467 AromaticContact CD2-CG 3.69Å; Y309-Y467 HydrophobicContact CD2-CG 3.69Å; Y309-Y467 AromaticContact CD2-CZ 3.87Å; Y309-Y467 HydrophobicContact CE2-CD1 4.03Å; Y309-Y467 HydrophobicContact CE2-CE1 4.36Å; Y309-Y467 HydrophobicContact CE2-CG 4.31Å; Y309-Y467 HydrophobicContact CG-CE1 4.26Å; Y309-Y467 HydrophobicContact CG-CE2 4.28Å; F463-Y467 VanDerWaalsContact O-CB 3.24Å; F463-Y467 WeakPolarHBondContact O-CB 3.35Å; F463-Y467 PolarHBondContact O-N 3.47Å; N464-Y467 PolarHBondContact O-N 3.45Å; L465-Y467 VanDerWaalsContact C-N 3.35Å; L465-Y467 PolarHBondContact O-N 3.49Å; Y467-L469 PolarHBondContact O-N 3.26Å; Y467-Y470 PolarHBondContact O-N 3.49Å; Y467-Y471 HydrophobicContact CD1-CD2 4.48Å; Y467-Y471 AromaticContact CD2-CD2 3.5Å; Y467-Y471 HydrophobicContact CD2-CD2 3.5Å; Y467-Y471 VanDerWaalsContact CD2-CD2 3.5Å; Y467-Y471 AromaticContact CD2-CE2 3.52Å; Y467-Y471 HydrophobicContact CD2-CE2 3.52Å; Y467-Y471 HydrophobicContact CE1-CD2 4.33Å; Y467-Y471 AromaticContact CE2-CD2 3.3Å; Y467-Y471 HydrophobicContact CE2-CD2 3.3Å; Y467-Y471 AromaticContact CE2-CE2 3.3Å; Y467-Y471 HydrophobicContact CE2-CE2 3.3Å; Y467-Y471 HydrophobicContact CE2-CG 4.37Å; Y467-Y471 HydrophobicContact CG-CD2 4.09Å; Y467-Y471 HydrophobicContact CG-CE2 4.5Å; Y467-Y471 AromaticContact CZ-CD2 3.75Å; Y467-Y471 WeakPolarHBondContact O-CD2 3.42Å; Y467-Y471 PolarHBondContact O-N 2.85Å
468	W	93.6	Very high	92.6	Very high	74 Å²	74	77.8 Å²	77.8	28%	0.28	40%	0.395	S	S	.	.	H	α-helix	trans	-66.9	-39.1	-177.5	-72.2	109.7	0	0	0	111.5	L170 I243 I247 Y251 N464 Y470 V472	L170-W468 HydrophobicContact CD1-CZ3 4.41Å; I243-W468 HydrophobicContact CD1-CH2 4.49Å; I243-W468 HydrophobicContact CD1-CZ3 4.27Å; I247-W468 HydrophobicContact CG1-CH2 4.23Å; Y251-W468 HydrophobicContact CD1-CH2 4.35Å; Y251-W468 AromaticContact CD1-CZ2 3.9Å; Y251-W468 HydrophobicContact CD1-CZ2 3.9Å; Y251-W468 HydrophobicContact CD2-CH2 4.42Å; Y251-W468 HydrophobicContact CE1-CH2 4.33Å; Y251-W468 HydrophobicContact CE1-CZ2 4.15Å; Y251-W468 HydrophobicContact CE2-CH2 4.38Å; Y251-W468 HydrophobicContact CG-CH2 4.41Å; Y251-W468 HydrophobicContact CG-CZ2 4.17Å; N464-W468 PolarHBondContact O-N 3Å; W468-Y470 VanDerWaalsContact C-N 3.31Å; W468-Y470 PolarHBondContact O-N 3.49Å; W468-V472 HydrophobicContact CE3-CG2 3.62Å; W468-V472 HydrophobicContact CZ3-CG2 4.27Å; W468-V472 WeakPolarHBondContact O-CB 3.44Å; W468-V472 WeakPolarHBondContact O-CG2 3.16Å; W468-V472 PolarHBondContact O-N 3.23Å
469	L	93.4	Very high	92.4	Very high	100 Å²	100	73.5 Å²	73.5	52%	0.524	38%	0.38	S	S	.	.	H	α-helix	trans	-64	-35.1	175.4	-74	174.3	0	0	0	113.1	L465 Y467 N473	L465-L469 HydrophobicContact CD1-CD1 4.1Å; L465-L469 HydrophobicContact CD1-CG 4.47Å; L465-L469 HydrophobicContact CG-CD1 3.91Å; L465-L469 VanDerWaalsContact O-CB 3.31Å; L465-L469 WeakPolarHBondContact O-CB 3.38Å; L465-L469 VanDerWaalsContact O-CG 3.24Å; L465-L469 WeakPolarHBondContact O-CG 3.49Å; L465-L469 PolarHBondContact O-N 3.03Å; Y467-L469 PolarHBondContact O-N 3.26Å; L469-N473 WeakPolarHBondContact O-CB 3.47Å
470	Y	93.3	Very high	92.3	Very high	153 Å²	153	75.2 Å²	75.2	60%	0.6	39%	0.386	S	S	*	.	H	α-helix	trans	-78.4	-35.7	-178.3	179.1	-96.3	0	0	0	113.5	V466 Y467 W468	V466-Y470 VanDerWaalsContact O-CB 3.25Å; V466-Y470 WeakPolarHBondContact O-CB 3.38Å; V466-Y470 PolarHBondContact O-N 2.91Å; Y467-Y470 PolarHBondContact O-N 3.49Å; W468-Y470 VanDerWaalsContact C-N 3.31Å; W468-Y470 PolarHBondContact O-N 3.49Å
471	Y	90.1	Very high	92	Very high	40 Å²	40	80.1 Å²	80.1	16%	0.157	41%	0.411	C	S	.	.	H	α-helix	trans	-98.9	-17	-174.9	-71.8	-72.7	0	0	0	114.6	L170 A305 Y467	L170-Y471 VanDerWaalsContact CD1-CB 3.46Å; A305-Y471 HydrophobicContact CB-CD1 3.48Å; A305-Y471 VanDerWaalsContact CB-CD1 3.48Å; A305-Y471 HydrophobicContact CB-CD2 4.27Å; A305-Y471 HydrophobicContact CB-CE1 3.27Å; A305-Y471 HydrophobicContact CB-CE2 4.1Å; A305-Y471 HydrophobicContact CB-CG 3.99Å; Y467-Y471 HydrophobicContact CD1-CD2 4.48Å; Y467-Y471 AromaticContact CD2-CD2 3.5Å; Y467-Y471 HydrophobicContact CD2-CD2 3.5Å; Y467-Y471 VanDerWaalsContact CD2-CD2 3.5Å; Y467-Y471 AromaticContact CD2-CE2 3.52Å; Y467-Y471 HydrophobicContact CD2-CE2 3.52Å; Y467-Y471 HydrophobicContact CE1-CD2 4.33Å; Y467-Y471 AromaticContact CE2-CD2 3.3Å; Y467-Y471 HydrophobicContact CE2-CD2 3.3Å; Y467-Y471 AromaticContact CE2-CE2 3.3Å; Y467-Y471 HydrophobicContact CE2-CE2 3.3Å; Y467-Y471 HydrophobicContact CE2-CG 4.37Å; Y467-Y471 HydrophobicContact CG-CD2 4.09Å; Y467-Y471 HydrophobicContact CG-CE2 4.5Å; Y467-Y471 AromaticContact CZ-CD2 3.75Å; Y467-Y471 WeakPolarHBondContact O-CD2 3.42Å; Y467-Y471 PolarHBondContact O-N 2.85Å
472	V	87.1	Confident	91.8	Very high	90 Å²	90	80.3 Å²	80.3	55%	0.545	40%	0.401	S	S	.	.	H	α-helix	trans	-90.8	-33.2	176.8	178.4	0	0	0	0	112.4	L170 W468	L170-V472 HydrophobicContact CD1-CG2 4.38Å; L170-V472 HydrophobicContact CD2-CG2 4.16Å; W468-V472 HydrophobicContact CE3-CG2 3.62Å; W468-V472 HydrophobicContact CZ3-CG2 4.27Å; W468-V472 WeakPolarHBondContact O-CB 3.44Å; W468-V472 WeakPolarHBondContact O-CG2 3.16Å; W468-V472 PolarHBondContact O-N 3.23Å
473	N	72.4	Confident	91.4	Very high	157 Å²	157	79.6 Å²	79.6	84%	0.84	40%	0.395	S	S	*	.			trans	-81.3	0	166.6	-77.4	-24.7	0	0	0	110.5	L469	L469-N473 WeakPolarHBondContact O-CB 3.47Å

Retrieved 473 of 473 residues in 81.4 ms (Link to these results)

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