A0A096NBC6_PAPAN Loading...

Glycine receptor alpha 2

AlphaFold DB (F7E7T3), UniProt , Accession A0A096NBC6, Species PAPAN (Papio anubis, Olive baboon), Gene GLRA2, Length 452 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48	Very low	62.4	Low	245 Å²	245	130 Å²	130	100%	1.207	67%	0.668	S	S	*	*				0	117.5	0	-138	159.1	73.2	0	0	107.5	R3	M1-R3 PolarHBondContact O-N 3.1Å
2	N	56.7	Low	62.2	Low	133 Å²	133	128.3 Å²	128.3	71%	0.711	66%	0.66	S	S	*	*			trans	-75.1	122.1	-154.2	-123.3	-9.9	0	0	0	113.1	Q4 L5	N2-Q4 PolarHBondContact O-N 3.24Å; N2-Q4 VanDerWaalsContact O-N 3.07Å; N2-L5 PolarHBondContact O-N 3.46Å; N2-L5 VanDerWaalsContact O-N 3.12Å
3	R	58.8	Low	61.7	Low	223 Å²	223	129.6 Å²	129.6	84%	0.842	66%	0.658	S	S	*	*	H	α-helix	trans	-61.1	-18.1	-173.2	-135.1	174.3	-179	-177	-1	114.3	M1	M1-R3 PolarHBondContact O-N 3.1Å
4	Q	60.3	Low	61.4	Low	156 Å²	156	124.6 Å²	124.6	73%	0.729	65%	0.647	S	S	*	*	H	α-helix	trans	-79.1	-26.1	177.1	-70.7	-144.7	-21.5	0	0	114.2	N2 I8	N2-Q4 PolarHBondContact O-N 3.24Å; N2-Q4 VanDerWaalsContact O-N 3.07Å; Q4-I8 WeakPolarHBondContact O-CG1 3.1Å; Q4-I8 PolarHBondContact O-N 3.25Å
5	L	62.1	Low	60.6	Low	116 Å²	116	126.3 Å²	126.3	61%	0.607	65%	0.647	S	S	*	*	H	α-helix	trans	-73.1	-32.2	178.9	-120.2	125.9	0	0	0	111.9	N2 L9	N2-L5 PolarHBondContact O-N 3.46Å; N2-L5 VanDerWaalsContact O-N 3.12Å; L5-L9 HydrophobicContact CD2-CD1 4.23Å; L5-L9 PolarHBondContact O-N 2.73Å
6	V	70.6	Confident	59.6	Low	87 Å²	87	128.1 Å²	128.1	53%	0.527	65%	0.649	S	S	.	*	H	α-helix	trans	-68.6	-38.7	178.7	179.5	0	0	0	0	111.4	I8 L9 T10	V6-I8 PolarHBondContact O-N 2.73Å; V6-L9 PolarHBondContact O-N 2.81Å; V6-T10 WeakPolarHBondContact O-CG2 3.36Å; V6-T10 PolarHBondContact O-N 2.99Å; V6-T10 PolarHBondContact O-OG1 2.83Å; V6-T10 VanDerWaalsContact O-OG1 3.11Å
7	N	64.7	Low	58.6	Low	112 Å²	112	127.7 Å²	127.7	60%	0.599	65%	0.648	S	S	*	*	H	α-helix	trans	-71.5	-29.1	179.8	-76.2	-1.4	0	0	0	113.3	T10 A11	N7-T10 WeakPolarHBondContact CA-OG1 3.1Å; N7-T10 PolarHBondContact O-OG1 2.94Å; N7-A11 WeakPolarHBondContact O-CB 3.44Å; N7-A11 PolarHBondContact O-N 3.26Å
8	I	68.8	Low	57.7	Low	104 Å²	104	129.9 Å²	129.9	53%	0.533	66%	0.656	S	S	.	*	H	α-helix	trans	-75.6	-38.8	176	-64.8	169.8	0	0	0	110.1	Q4 V6 L12	Q4-I8 WeakPolarHBondContact O-CG1 3.1Å; Q4-I8 PolarHBondContact O-N 3.25Å; V6-I8 PolarHBondContact O-N 2.73Å; I8-L12 HydrophobicContact CG2-CD1 3.92Å; I8-L12 WeakPolarHBondContact O-CB 3.39Å; I8-L12 WeakPolarHBondContact O-CG 3.3Å; I8-L12 PolarHBondContact O-N 3.42Å; I8-L12 VanDerWaalsContact O-N 3.08Å
9	L	63.2	Low	57.1	Low	110 Å²	110	127.8 Å²	127.8	58%	0.576	65%	0.651	S	S	*	*	H	α-helix	trans	-67	-38.1	175.8	-90.4	151.9	0	0	0	112.7	L5 V6 F13	L5-L9 HydrophobicContact CD2-CD1 4.23Å; L5-L9 PolarHBondContact O-N 2.73Å; V6-L9 PolarHBondContact O-N 2.81Å; L9-F13 WeakPolarHBondContact O-CB 3.34Å; L9-F13 PolarHBondContact O-N 2.93Å
10	T	68.1	Low	56.3	Low	83 Å²	83	127.5 Å²	127.5	51%	0.509	65%	0.65	S	S	.	*	H	α-helix	trans	-70.9	-35.8	176.4	49.6	0	0	0	0	112.8	V6 N7 F13 A14	V6-T10 WeakPolarHBondContact O-CG2 3.36Å; V6-T10 PolarHBondContact O-N 2.99Å; V6-T10 PolarHBondContact O-OG1 2.83Å; V6-T10 VanDerWaalsContact O-OG1 3.11Å; N7-T10 WeakPolarHBondContact CA-OG1 3.1Å; N7-T10 PolarHBondContact O-OG1 2.94Å; T10-F13 PolarHBondContact O-N 3.01Å; T10-A14 PolarHBondContact O-N 2.67Å; T10-A14 VanDerWaalsContact O-N 3.08Å
11	A	65	Low	55.2	Low	61 Å²	61	130.3 Å²	130.3	50%	0.504	66%	0.661	S	S	.	*	H	α-helix	trans	-67.9	-39.7	175.6	0	0	0	0	0	112.4	N7 F15	N7-A11 WeakPolarHBondContact O-CB 3.44Å; N7-A11 PolarHBondContact O-N 3.26Å; A11-F15 PolarHBondContact O-N 2.67Å
12	L	59.9	Low	54.4	Low	109 Å²	109	127.1 Å²	127.1	57%	0.571	64%	0.64	S	S	*	*	H	α-helix	trans	-70.6	-32.4	176.2	-76.2	165	0	0	0	112.5	I8 F16	I8-L12 HydrophobicContact CG2-CD1 3.92Å; I8-L12 WeakPolarHBondContact O-CB 3.39Å; I8-L12 WeakPolarHBondContact O-CG 3.3Å; I8-L12 PolarHBondContact O-N 3.42Å; I8-L12 VanDerWaalsContact O-N 3.08Å; L12-F16 PolarHBondContact O-N 3.04Å
13	F	56.3	Low	53.2	Low	146 Å²	146	130.5 Å²	130.5	64%	0.64	64%	0.643	S	S	*	*	H	α-helix	trans	-72.2	-35.5	176.2	-146.1	-97.8	0	0	0	112.4	L9 T10 F16 L17	L9-F13 WeakPolarHBondContact O-CB 3.34Å; L9-F13 PolarHBondContact O-N 2.93Å; T10-F13 PolarHBondContact O-N 3.01Å; F13-F16 PolarHBondContact O-N 3.35Å; F13-L17 HydrophobicContact CD1-CD1 3.56Å; F13-L17 HydrophobicContact CE1-CD1 3.59Å; F13-L17 PolarHBondContact O-N 3.37Å
14	A	57.3	Low	51.8	Low	60 Å²	60	126 Å²	126	50%	0.496	64%	0.641	S	S	.	*	H	α-helix	trans	-66.9	-39	174.1	0	0	0	0	0	112.1	T10 F16 L17 E18	T10-A14 PolarHBondContact O-N 2.67Å; T10-A14 VanDerWaalsContact O-N 3.08Å; A14-F16 VanDerWaalsContact C-N 3.34Å; A14-F16 PolarHBondContact O-N 3.48Å; A14-L17 PolarHBondContact O-N 3.43Å; A14-E18 PolarHBondContact O-N 3.15Å
15	F	49.6	Very low	50.3	Low	150 Å²	150	123.4 Å²	123.4	66%	0.658	65%	0.646	S	S	*	*	H	α-helix	trans	-69.6	-30.9	178.1	-148.7	-95.2	0	0	0	112.7	A11	A11-F15 PolarHBondContact O-N 2.67Å
16	F	43.8	Very low	48.9	Very low	154 Å²	154	127.7 Å²	127.7	68%	0.675	66%	0.66	S	S	*	*	H	α-helix	trans	-78	-24.7	177.6	-119.6	-92.1	0	0	0	113.7	L12 F13 A14 T19	L12-F16 PolarHBondContact O-N 3.04Å; F13-F16 PolarHBondContact O-N 3.35Å; A14-F16 VanDerWaalsContact C-N 3.34Å; A14-F16 PolarHBondContact O-N 3.48Å; F16-T19 PolarHBondContact O-OG1 3.44Å
17	L	43.1	Very low	47	Very low	122 Å²	122	129.4 Å²	129.4	64%	0.639	68%	0.675	S	S	*	*	H	α-helix	trans	-81.4	-23	177.6	-102.8	132.2	0	0	0	113.5	F13 A14	F13-L17 HydrophobicContact CD1-CD1 3.56Å; F13-L17 HydrophobicContact CE1-CD1 3.59Å; F13-L17 PolarHBondContact O-N 3.37Å; A14-L17 PolarHBondContact O-N 3.43Å
18	E	42.8	Very low	45.5	Very low	167 Å²	167	133.2 Å²	133.2	78%	0.78	69%	0.686	S	S	*	*	S	Bend	trans	-78.2	-18	175.5	-82.9	-170.6	157.7	0	0	113.8	A14	A14-E18 PolarHBondContact O-N 3.15Å
19	T	46.2	Very low	43.7	Very low	91 Å²	91	136 Å²	136	56%	0.558	70%	0.702	S	S	*	*	S	Bend	trans	-93.7	-3.8	-174	48.8	0	0	0	0	115.8	F16	F16-T19 PolarHBondContact O-OG1 3.44Å
20	N	40	Very low	42.2	Very low	121 Å²	121	139.2 Å²	139.2	65%	0.647	71%	0.713	S	S	*	*	S	Bend	trans	-143.5	77.3	-177	-81.4	-44.5	0	0	0	113.4
21	H	34.8	Very low	40.5	Very low	187 Å²	187	142 Å²	142	87%	0.866	73%	0.725	S	S	*	*				-176.2	107.6	129.4	-115.2	-78.8	0	0	0	114.3
22	F	30.8	Very low	38.9	Very low	177 Å²	177	144.5 Å²	144.5	78%	0.776	74%	0.739	S	S	*	*			trans	9.6	129.6	140.2	-105.8	-107	0	0	0	122.6
23	R	30.1	Very low	38	Very low	205 Å²	205	150.8 Å²	150.8	77%	0.774	76%	0.755	S	S	*	*				101.5	130.2	124.2	-114.1	-174.2	-171	-170.7	0.2	122.3
24	T	30.2	Very low	37	Very low	128 Å²	128	149.2 Å²	149.2	79%	0.785	76%	0.762	S	S	*	*			trans	70.9	101.5	144.1	45.1	0	0	0	0	119.6
25	A	29.7	Very low	36.3	Very low	102 Å²	102	150.2 Å²	150.2	84%	0.843	78%	0.778	S	S	*	*			trans	-128.8	126.9	148	0	0	0	0	0	109.4
26	F	32.8	Very low	35.8	Very low	206 Å²	206	152.2 Å²	152.2	90%	0.904	79%	0.787	S	S	*	*			trans	-69	121.7	-178	-141.1	-103.4	0	0	0	109.5
27	C	29.6	Very low	35.4	Very low	123 Å²	123	154 Å²	154	83%	0.831	80%	0.797	S	S	*	*			trans	-125.9	131.2	164.1	-93.5	0	0	0	0	110
28	K	33.8	Very low	35.3	Very low	192 Å²	192	153.3 Å²	153.3	84%	0.835	80%	0.8	S	S	*	*			trans	-92.8	100.1	-169.3	-170.1	-178.3	-170.9	179.4	0	106.9
29	D	31	Very low	35.5	Very low	163 Å²	163	150.3 Å²	150.3	87%	0.872	80%	0.798	S	S	*	*			trans	-86.6	124.2	176	-86.6	-27.9	0	0	0	111.3
30	H	31.6	Very low	35.9	Very low	176 Å²	176	154.3 Å²	154.3	82%	0.815	81%	0.81	S	S	*	*			trans	-81.4	136.8	175.8	-135.1	-82.9	0	0	0	109	S32	H30-S32 PolarHBondContact O-N 3.16Å
31	D	32.5	Very low	36.9	Very low	142 Å²	142	154.6 Å²	154.6	76%	0.759	82%	0.816	S	S	*	*			trans	-41.9	127.2	177.1	-118.8	-30.8	0	0	0	114.1
32	S	31.3	Very low	38.5	Very low	114 Å²	114	149 Å²	149	80%	0.797	79%	0.792	S	S	*	*			trans	-139.4	99.4	150.2	44.7	0	0	0	0	109.8	H30 S34	H30-S32 PolarHBondContact O-N 3.16Å; S32-S34 PolarHBondContact O-N 3.11Å
33	R	41.2	Very low	41	Very low	241 Å²	241	142.8 Å²	142.8	91%	0.909	77%	0.771	S	S	*	*			trans	-54.1	116.5	168.7	-77.8	173.3	168.5	174.2	-4.5	110.5
34	S	35.1	Very low	43.5	Very low	112 Å²	112	136.6 Å²	136.6	78%	0.783	76%	0.757	S	S	*	*			trans	-137.8	100	153.1	165.3	0	0	0	0	107.7	S32 K36	S32-S34 PolarHBondContact O-N 3.11Å; S34-K36 PolarHBondContact O-N 3.38Å; S34-K36 VanDerWaalsContact O-N 3.1Å
35	G	42.6	Very low	46	Very low	81 Å²	81	134.3 Å²	134.3	84%	0.835	75%	0.746	S	S	*	*			trans	-63.3	107.2	179.3	0	0	0	0	0	112
36	K	38.8	Very low	48.7	Very low	193 Å²	193	133.9 Å²	133.9	84%	0.839	73%	0.73	S	S	*	*			trans	-128.5	109.4	142.7	-83.3	-176.9	176.3	177.4	0	106.1	S34 P38	S34-K36 PolarHBondContact O-N 3.38Å; S34-K36 VanDerWaalsContact O-N 3.1Å; K36-P38 WeakPolarHBondContact O-CD 3.48Å
37	Q	35	Very low	51.3	Low	191 Å²	191	124.4 Å²	124.4	89%	0.893	69%	0.688	S	S	*	*			trans	-54.4	121.8	167.5	-80.4	179.2	-34.5	0	0	107.6	S39	Q37-S39 PolarHBondContact O-N 2.84Å
38	P	41.7	Very low	54	Low	107 Å²	107	120.3 Å²	120.3	70%	0.695	66%	0.658	S	S	*	*			trans	-66.5	120.4	157.2	28.2	-25.7	0	0	0	105	K36 Q40	K36-P38 WeakPolarHBondContact O-CD 3.48Å; P38-Q40 VanDerWaalsContact C-N 3.31Å; P38-Q40 PolarHBondContact O-N 3.37Å
39	S	46.6	Very low	56.5	Low	105 Å²	105	115.9 Å²	115.9	73%	0.734	64%	0.643	S	S	*	*			trans	-50.8	104.3	162	49.5	0	0	0	0	106.5	Q37 T41	Q37-S39 PolarHBondContact O-N 2.84Å; S39-T41 VanDerWaalsContact C-N 3.26Å; S39-T41 PolarHBondContact O-N 2.87Å
40	Q	54.9	Low	59.2	Low	174 Å²	174	112.9 Å²	112.9	81%	0.813	62%	0.623	S	S	*	*			trans	-65	94.3	177.6	-79	-178	-18.5	0	0	106.8	P38 L42	P38-Q40 VanDerWaalsContact C-N 3.31Å; P38-Q40 PolarHBondContact O-N 3.37Å; Q40-L42 VanDerWaalsContact C-N 3.34Å; Q40-L42 PolarHBondContact O-N 3.05Å
41	T	60	Low	61.8	Low	128 Å²	128	105.4 Å²	105.4	79%	0.785	59%	0.588	S	S	*	*			trans	-60.9	104	161	42.2	0	0	0	0	105.8	S39	S39-T41 VanDerWaalsContact C-N 3.26Å; S39-T41 PolarHBondContact O-N 2.87Å
42	L	68.7	Low	64.5	Low	69 Å²	69	99.5 Å²	99.5	36%	0.361	56%	0.556	S	S	.	*			trans	-50.5	140.9	174.8	-76.3	159	0	0	0	109.2	Q40 E111	Q40-L42 VanDerWaalsContact C-N 3.34Å; Q40-L42 PolarHBondContact O-N 3.05Å; L42-E111 WeakPolarHBondContact CD1-OE2 3.45Å
43	S	83.6	Confident	67	Low	46 Å²	46	94.9 Å²	94.9	32%	0.322	53%	0.527	S	S	.	.			trans	-63.1	146.7	172.9	84.4	0	0	0	0	109.2	S45 D46 F47	S43-S45 PolarHBondContact O-N 3.22Å; S43-D46 WeakPolarHBondContact CB-OD2 3.4Å; S43-D46 PolarHBondContact O-N 3.04Å; S43-D46 VanDerWaalsContact O-N 3.17Å; S43-D46 WeakPolarHBondContact OG-CB 3.33Å; S43-D46 PolarHBondContact OG-N 3.48Å; S43-D46 VanDerWaalsContact OG-N 3.17Å; S43-D46 PolarHBondContact OG-OD2 3.46Å; S43-F47 PolarHBondContact O-N 3.43Å
44	P	83.1	Confident	68.8	Low	75 Å²	75	95.5 Å²	95.5	49%	0.487	53%	0.529	S	S	.	.	H	α-helix	trans	-55.6	-38.1	-179.9	-27.7	35.4	0	0	0	112.8	F47 L48	P44-F47 PolarHBondContact O-N 2.85Å; P44-L48 VanDerWaalsContact O-CG 3.3Å; P44-L48 WeakPolarHBondContact O-CG 3.29Å; P44-L48 PolarHBondContact O-N 2.99Å
45	S	83.1	Confident	71	Confident	80 Å²	80	96.6 Å²	96.6	56%	0.559	53%	0.532	S	S	*	.	H	α-helix	trans	-65.3	-47.6	177	-53	0	0	0	0	112.3	S43 F47 L48 D49	S43-S45 PolarHBondContact O-N 3.22Å; S45-F47 PolarHBondContact O-N 3.17Å; S45-L48 PolarHBondContact O-N 2.66Å; S45-L48 VanDerWaalsContact O-N 3.15Å; S45-D49 PolarHBondContact O-N 2.94Å
46	D	85.8	Confident	72.9	Confident	93 Å²	93	95 Å²	95	50%	0.497	51%	0.508	S	S	.	.	H	α-helix	trans	-63	-34	178.6	-62.3	-38.4	0	0	0	111.4	S43 K50	S43-D46 WeakPolarHBondContact CB-OD2 3.4Å; S43-D46 PolarHBondContact O-N 3.04Å; S43-D46 VanDerWaalsContact O-N 3.17Å; S43-D46 WeakPolarHBondContact OG-CB 3.33Å; S43-D46 PolarHBondContact OG-N 3.48Å; S43-D46 VanDerWaalsContact OG-N 3.17Å; S43-D46 PolarHBondContact OG-OD2 3.46Å; D46-K50 VanDerWaalsContact O-CB 3.27Å; D46-K50 WeakPolarHBondContact O-CB 3.36Å; D46-K50 PolarHBondContact O-N 3.02Å
47	F	88.1	Confident	75.1	Confident	8 Å²	8	89 Å²	89	4%	0.035	50%	0.501	C	S	.	.	H	α-helix	trans	-66.3	-44.9	174.8	175.4	-93.3	0	0	0	112	S43 P44 S45 K50 L51 Y109 Y112 L117	S43-F47 PolarHBondContact O-N 3.43Å; P44-F47 PolarHBondContact O-N 2.85Å; S45-F47 PolarHBondContact O-N 3.17Å; F47-K50 WeakPolarHBondContact O-CB 3.17Å; F47-K50 PolarHBondContact O-N 3.15Å; F47-L51 HydrophobicContact CE1-CD2 4.37Å; F47-L51 PolarHBondContact O-N 3.3Å; F47-Y109 HydrophobicContact CE1-CG 4.44Å; F47-Y109 HydrophobicContact CE2-CG 4.42Å; F47-Y109 HydrophobicContact CZ-CD1 4.16Å; F47-Y109 AromaticContact CZ-CD2 3.85Å; F47-Y109 HydrophobicContact CZ-CD2 3.85Å; F47-Y109 AromaticContact CZ-CG 3.59Å; F47-Y109 HydrophobicContact CZ-CG 3.59Å; F47-Y112 HydrophobicContact CD1-CD2 4.36Å; F47-Y112 HydrophobicContact CD2-CD2 4.49Å; F47-Y112 HydrophobicContact CG-CD2 4.22Å; F47-L117 HydrophobicContact CD1-CD1 4.1Å; F47-L117 HydrophobicContact CE1-CD1 3.35Å; F47-L117 HydrophobicContact CZ-CD1 4.17Å
48	L	86.6	Confident	77.9	Confident	37 Å²	37	81.3 Å²	81.3	19%	0.194	46%	0.464	C	S	.	.	H	α-helix	trans	-66	-39.8	177.6	-66.8	177	0	0	0	112.2	P44 S45 K50 L51 M52 L119	P44-L48 VanDerWaalsContact O-CG 3.3Å; P44-L48 WeakPolarHBondContact O-CG 3.29Å; P44-L48 PolarHBondContact O-N 2.99Å; S45-L48 PolarHBondContact O-N 2.66Å; S45-L48 VanDerWaalsContact O-N 3.15Å; L48-K50 VanDerWaalsContact C-N 3.31Å; L48-K50 PolarHBondContact O-N 2.86Å; L48-L51 PolarHBondContact O-N 2.97Å; L48-L51 VanDerWaalsContact O-N 3.17Å; L48-M52 HydrophobicContact CB-CE 4.14Å; L48-M52 HydrophobicContact CD2-CE 3.92Å; L48-M52 PolarHBondContact O-N 3.17Å; L48-L119 HydrophobicContact CD1-CD2 3.98Å; L48-L119 HydrophobicContact CD2-CD2 3.4Å; L48-L119 VanDerWaalsContact CD2-CD2 3.4Å; L48-L119 HydrophobicContact CG-CD2 4.35Å
49	D	85.6	Confident	80.3	Confident	98 Å²	98	78.1 Å²	78.1	52%	0.524	44%	0.442	S	S	.	.	H	α-helix	trans	-66.9	-33.5	174.4	-76.3	-21.2	0	0	0	111.9	S45 L51 G53	S45-D49 PolarHBondContact O-N 2.94Å; D49-L51 VanDerWaalsContact C-N 3.33Å; D49-G53 WeakPolarHBondContact O-CA 3.38Å; D49-G53 PolarHBondContact O-N 3.17Å
50	K	87.1	Confident	82.5	Confident	101 Å²	101	74.4 Å²	74.4	44%	0.439	42%	0.417	S	S	.	.	H	α-helix	trans	-67.5	-33.5	171.5	-179.8	178.3	172.3	-176.9	0	112.4	D46 F47 L48 S56 E111	D46-K50 VanDerWaalsContact O-CB 3.27Å; D46-K50 WeakPolarHBondContact O-CB 3.36Å; D46-K50 PolarHBondContact O-N 3.02Å; F47-K50 WeakPolarHBondContact O-CB 3.17Å; F47-K50 PolarHBondContact O-N 3.15Å; L48-K50 VanDerWaalsContact C-N 3.31Å; L48-K50 PolarHBondContact O-N 2.86Å; K50-S56 WeakPolarHBondContact O-CB 3.38Å; K50-E111 IonicContact NZ-OE1 3.66Å; K50-E111 PolarHBondContact NZ-OE1 3.12Å; K50-E111 IonicContact NZ-OE2 2.8Å; K50-E111 PolarHBondContact NZ-OE2 3.07Å
51	L	87.4	Confident	84.3	Confident	18 Å²	18	75.8 Å²	75.8	9%	0.094	42%	0.415	C	S	.	.	H	α-helix	trans	-80.8	-40.5	-177.6	-166.3	67.6	0	0	0	112.8	F47 L48 D49 S56 L107	F47-L51 HydrophobicContact CE1-CD2 4.37Å; F47-L51 PolarHBondContact O-N 3.3Å; L48-L51 PolarHBondContact O-N 2.97Å; L48-L51 VanDerWaalsContact O-N 3.17Å; D49-L51 VanDerWaalsContact C-N 3.33Å; L51-S56 PolarHBondContact O-OG 3.41Å; L51-L107 HydrophobicContact CD2-CD2 4.22Å; L51-L107 HydrophobicContact CG-CD2 4.04Å
52	M	87.6	Confident	86	Confident	18 Å²	18	72.9 Å²	72.9	9%	0.089	39%	0.394	C	S	.	.	H	α-helix	trans	-123.7	-5.6	-170.7	-62.8	176.7	-73.5	0	0	113.8	L48 L107 L119 M123 I127	L48-M52 HydrophobicContact CB-CE 4.14Å; L48-M52 HydrophobicContact CD2-CE 3.92Å; L48-M52 PolarHBondContact O-N 3.17Å; M52-L107 HydrophobicContact CG-CD2 4Å; M52-L119 HydrophobicContact CE-CD1 4.16Å; M52-M123 HydrophobicContact CE-CE 3.41Å; M52-M123 VanDerWaalsContact CE-CE 3.41Å; M52-M123 HydrophobicContact SD-CE 4.36Å; M52-I127 HydrophobicContact CG-CG2 4.33Å; M52-I127 HydrophobicContact SD-CG2 3.48Å; M52-I127 WeakPolarHBondContact SD-CG2 3.48Å
53	G	83.5	Confident	87.3	Confident	18 Å²	18	70 Å²	70	19%	0.186	38%	0.378	C	S	.	.	S	Bend	trans	-75.4	171.2	-179.2	0	0	0	0	0	112.8	D49 T55 S56	D49-G53 WeakPolarHBondContact O-CA 3.38Å; D49-G53 PolarHBondContact O-N 3.17Å; G53-T55 PolarHBondContact O-N 2.95Å; G53-T55 VanDerWaalsContact O-N 3.08Å; G53-S56 WeakPolarHBondContact O-CB 3.37Å; G53-S56 PolarHBondContact O-N 2.83Å; G53-S56 PolarHBondContact O-OG 3.22Å
54	R	80.3	Confident	87.9	Confident	253 Å²	253	67.9 Å²	67.9	96%	0.955	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.8	-174.5	-64.8	-177.4	179.3	-177.9	0.4	114.2
55	T	80.8	Confident	88.4	Confident	135 Å²	135	67.7 Å²	67.7	83%	0.828	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-17.5	-179.8	49.4	0	0	0	0	113.1	G53 G57	G53-T55 PolarHBondContact O-N 2.95Å; G53-T55 VanDerWaalsContact O-N 3.08Å; T55-G57 VanDerWaalsContact C-N 3.34Å
56	S	81.8	Confident	89	Confident	47 Å²	47	70 Å²	70	33%	0.329	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-21.9	-179	71.8	0	0	0	0	113.7	K50 L51 G53 Y58	K50-S56 WeakPolarHBondContact O-CB 3.38Å; L51-S56 PolarHBondContact O-OG 3.41Å; G53-S56 WeakPolarHBondContact O-CB 3.37Å; G53-S56 PolarHBondContact O-N 2.83Å; G53-S56 PolarHBondContact O-OG 3.22Å; S56-Y58 PolarHBondContact O-N 2.59Å; S56-Y58 VanDerWaalsContact OG-CB 3.26Å; S56-Y58 WeakPolarHBondContact OG-CB 3.27Å; S56-Y58 PolarHBondContact OG-N 2.82Å
57	G	86.7	Confident	89.4	Confident	69 Å²	69	74.3 Å²	74.3	71%	0.711	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	5.9	-169.5	0	0	0	0	0	114.1	T55 D59	T55-G57 VanDerWaalsContact C-N 3.34Å; G57-D59 PolarHBondContact O-N 3.31Å
58	Y	93.3	Very high	89.7	Confident	28 Å²	28	75.6 Å²	75.6	11%	0.11	39%	0.388	C	S	.	.			trans	-69.2	125.9	173.2	-170	-89.9	0	0	0	110.9	S56 A60 D104 R106 L107 S126 W128	S56-Y58 PolarHBondContact O-N 2.59Å; S56-Y58 VanDerWaalsContact OG-CB 3.26Å; S56-Y58 WeakPolarHBondContact OG-CB 3.27Å; S56-Y58 PolarHBondContact OG-N 2.82Å; Y58-A60 HydrophobicContact CE1-CB 4.07Å; Y58-D104 WeakPolarHBondContact CE2-OD2 3.34Å; Y58-D104 PolarHBondContact OH-OD2 3.18Å; Y58-R106 HydrophobicContact CD2-CB 3.84Å; Y58-R106 HydrophobicContact CE2-CB 4Å; Y58-R106 PolarHBondContact OH-NH2 3.01Å; Y58-L107 HydrophobicContact CD2-CD2 3.92Å; Y58-L107 HydrophobicContact CD2-CG 4.42Å; Y58-L107 HydrophobicContact CE2-CD1 4.23Å; Y58-L107 HydrophobicContact CE2-CD2 3.6Å; Y58-L107 HydrophobicContact CE2-CG 3.74Å; Y58-S126 VanDerWaalsContact CE1-O 3.25Å; Y58-S126 WeakPolarHBondContact CE1-O 3.44Å; Y58-W128 PolarHBondContact OH-N 3.22Å
59	D	92.8	Very high	90.2	Very high	41 Å²	41	78 Å²	78	22%	0.219	41%	0.406	C	S	.	.			trans	-120.7	111	172.9	-169	-18.9	0	0	0	109.6	G57 R61 I62 R106	G57-D59 PolarHBondContact O-N 3.31Å; D59-R61 PolarHBondContact O-N 2.88Å; D59-R61 VanDerWaalsContact OD1-CB 3.3Å; D59-R61 WeakPolarHBondContact OD1-CB 3.48Å; D59-R61 WeakPolarHBondContact OD1-CG 3.34Å; D59-R61 IonicContact OD1-CZ 3.97Å; D59-R61 PolarHBondContact OD1-N 3.47Å; D59-R61 IonicContact OD1-NE 2.81Å; D59-R61 PolarHBondContact OD1-NE 2.74Å; D59-R61 IonicContact OD1-NH2 3.52Å; D59-R61 IonicContact OD2-CZ 3.3Å; D59-R61 IonicContact OD2-NE 2.74Å; D59-R61 PolarHBondContact OD2-NE 3.4Å; D59-R61 IonicContact OD2-NH2 3.79Å; D59-R61 PolarHBondContact OD2-NH2 2.86Å; D59-I62 HydrophobicContact CB-CD1 4.17Å; D59-I62 HydrophobicContact CB-CG1 4.3Å; D59-I62 PolarHBondContact O-N 3.01Å; D59-R106 PolarHBondContact O-NH1 3.06Å
60	A	92.8	Very high	90.8	Very high	27 Å²	27	75.2 Å²	75.2	22%	0.223	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.7	-179.9	0	0	0	0	0	113.6	Y58 I62 W128	Y58-A60 HydrophobicContact CE1-CB 4.07Å; A60-I62 VanDerWaalsContact C-N 3.29Å; A60-W128 WeakPolarHBondContact O-CA 3.28Å; A60-W128 WeakPolarHBondContact O-CB 3.35Å
61	R	92.9	Very high	91.3	Very high	202 Å²	202	70.6 Å²	70.6	76%	0.762	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-18.3	179.1	-58.2	170.4	-65.2	178.8	3.8	112.4	D59	D59-R61 PolarHBondContact O-N 2.88Å; D59-R61 VanDerWaalsContact OD1-CB 3.3Å; D59-R61 WeakPolarHBondContact OD1-CB 3.48Å; D59-R61 WeakPolarHBondContact OD1-CG 3.34Å; D59-R61 IonicContact OD1-CZ 3.97Å; D59-R61 PolarHBondContact OD1-N 3.47Å; D59-R61 IonicContact OD1-NE 2.81Å; D59-R61 PolarHBondContact OD1-NE 2.74Å; D59-R61 IonicContact OD1-NH2 3.52Å; D59-R61 IonicContact OD2-CZ 3.3Å; D59-R61 IonicContact OD2-NE 2.74Å; D59-R61 PolarHBondContact OD2-NE 3.4Å; D59-R61 IonicContact OD2-NH2 3.79Å; D59-R61 PolarHBondContact OD2-NH2 2.86Å
62	I	94.8	Very high	91.8	Very high	67 Å²	67	73.6 Å²	73.6	34%	0.344	39%	0.39	S	S	.	.	S	Bend	trans	-103.7	127.4	-175.5	-57.2	178	0	0	0	109.1	D59 A60 F66 R106	D59-I62 HydrophobicContact CB-CD1 4.17Å; D59-I62 HydrophobicContact CB-CG1 4.3Å; D59-I62 PolarHBondContact O-N 3.01Å; A60-I62 VanDerWaalsContact C-N 3.29Å; I62-F66 HydrophobicContact CG2-CB 3.69Å; I62-F66 HydrophobicContact CG2-CD1 4.39Å; I62-F66 HydrophobicContact CG2-CD2 3.84Å; I62-F66 HydrophobicContact CG2-CG 3.72Å; I62-R106 PolarHBondContact O-NH1 3.26Å; I62-R106 VanDerWaalsContact O-NH1 3.12Å; I62-R106 PolarHBondContact O-NH2 3.18Å; I62-R106 VanDerWaalsContact O-NH2 3.12Å
63	R	95.7	Very high	92.3	Very high	10 Å²	10	72.7 Å²	72.7	4%	0.038	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-61.1	150.7	176.9	72	169.8	-174.7	89	-12.1	112.2	N65 F66 G68 P69 W128 Y195 D199	R63-N65 PolarHBondContact NH1-O 3.04Å; R63-F66 HydrophobicContact CG-CD2 4.34Å; R63-G68 PolarHBondContact NH2-O 2.98Å; R63-P69 PolarHBondContact NH1-O 2.83Å; R63-W128 HydrophobicContact CB-CD2 4.47Å; R63-W128 HydrophobicContact CB-CZ2 3.84Å; R63-Y195 HydrophobicContact CB-CE1 4.24Å; R63-Y195 HydrophobicContact CG-CE1 4.45Å; R63-D199 IonicContact CZ-OD1 3.68Å; R63-D199 IonicContact NE-OD1 3.1Å; R63-D199 PolarHBondContact NE-OD1 3.37Å; R63-D199 IonicContact NH2-OD1 2.95Å; R63-D199 PolarHBondContact NH2-OD1 3.48Å
64	P	96.2	Very high	93	Very high	1 Å²	1	73.6 Å²	73.6	1%	0.006	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	149.5	167.8	-22.3	30.9	0	0	0	111.7	F66 V71 D104 W128	P64-F66 VanDerWaalsContact C-N 3.26Å; P64-F66 PolarHBondContact O-N 3.02Å; P64-V71 HydrophobicContact CB-CG2 4.09Å; P64-V71 HydrophobicContact CG-CG2 4.37Å; P64-V71 WeakPolarHBondContact O-CG2 3.41Å; P64-D104 HydrophobicContact CB-CB 4.35Å; P64-D104 HydrophobicContact CG-CB 3.91Å; P64-W128 VanDerWaalsContact CD-CD2 3.47Å; P64-W128 HydrophobicContact CG-CD2 4.37Å; P64-W128 HydrophobicContact CG-CE3 3.86Å; P64-W128 HydrophobicContact CG-CZ3 4.16Å
65	N	94.3	Very high	93.8	Very high	70 Å²	70	61.5 Å²	61.5	37%	0.374	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	40.2	179.9	-54.4	-40	0	0	0	113.3	R63 K67 G68	R63-N65 PolarHBondContact NH1-O 3.04Å; N65-K67 PolarHBondContact O-N 3.28Å; N65-G68 VanDerWaalsContact O-CA 3.29Å; N65-G68 WeakPolarHBondContact O-CA 3.42Å; N65-G68 PolarHBondContact O-N 3.37Å
66	F	94.6	Very high	94.5	Very high	129 Å²	129	55.3 Å²	55.3	57%	0.566	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	134.4	179	-173	-110.1	0	0	0	111.5	I62 R63 P64 G68	I62-F66 HydrophobicContact CG2-CB 3.69Å; I62-F66 HydrophobicContact CG2-CD1 4.39Å; I62-F66 HydrophobicContact CG2-CD2 3.84Å; I62-F66 HydrophobicContact CG2-CG 3.72Å; R63-F66 HydrophobicContact CG-CD2 4.34Å; P64-F66 VanDerWaalsContact C-N 3.26Å; P64-F66 PolarHBondContact O-N 3.02Å; F66-G68 PolarHBondContact O-N 2.76Å
67	K	94.1	Very high	95.3	Very high	183 Å²	183	53 Å²	53	80%	0.796	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	7.2	-170.6	-60	-73.4	-177.1	177.7	0	115.5	N65	N65-K67 PolarHBondContact O-N 3.28Å
68	G	95.1	Very high	95.8	Very high	36 Å²	36	51.8 Å²	51.8	37%	0.371	26%	0.263	S	S	.	.	S	Bend	trans	-110.8	-155.5	175	0	0	0	0	0	112.4	R63 N65 F66	R63-G68 PolarHBondContact NH2-O 2.98Å; N65-G68 VanDerWaalsContact O-CA 3.29Å; N65-G68 WeakPolarHBondContact O-CA 3.42Å; N65-G68 PolarHBondContact O-N 3.37Å; F66-G68 PolarHBondContact O-N 2.76Å
69	P	97	Very high	96	Very high	87 Å²	87	50.5 Å²	50.5	57%	0.565	26%	0.257	S	S	*	.	S	Bend	trans	-61.1	161.1	-178.5	27.2	-35.3	0	0	0	112.5	R63	R63-P69 PolarHBondContact NH1-O 2.83Å
70	P	97.3	Very high	96.1	Very high	40 Å²	40	51.4 Å²	51.4	26%	0.26	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-60.9	150.8	172.7	25.4	-33.4	0	0	0	111	N72 D199 I201	P70-N72 PolarHBondContact O-N 3.5Å; P70-D199 CarbonylContact C-O 3.59Å; P70-D199 WeakPolarHBondContact CA-O 3.18Å; P70-I201 HydrophobicContact CB-CD1 3.96Å; P70-I201 HydrophobicContact CB-CG1 3.98Å; P70-I201 HydrophobicContact CG-CD1 3.61Å; P70-I201 HydrophobicContact CG-CG1 4.22Å
71	V	98	Very high	96.2	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.024	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	116.8	172.1	-176.2	0	0	0	0	108.2	P64 V73 W102 W128 D199 I201	P64-V71 HydrophobicContact CB-CG2 4.09Å; P64-V71 HydrophobicContact CG-CG2 4.37Å; P64-V71 WeakPolarHBondContact O-CG2 3.41Å; V71-V73 HydrophobicContact CG1-CG2 4.08Å; V71-V73 PolarHBondContact O-N 3.12Å; V71-W102 HydrophobicContact CG1-CB 4.04Å; V71-W128 HydrophobicContact CB-CH2 4.46Å; V71-W128 HydrophobicContact CG1-CH2 4.23Å; V71-W128 HydrophobicContact CG1-CZ3 4.23Å; V71-D199 PolarHBondContact N-O 3.3Å; V71-I201 PolarHBondContact O-N 2.83Å
72	N	97.8	Very high	96.3	Very high	80 Å²	80	43.3 Å²	43.3	43%	0.428	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	116.6	173.3	-66.4	-3.4	0	0	0	108.9	P70	P70-N72 PolarHBondContact O-N 3.5Å
73	V	98.2	Very high	95.9	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	112.8	178.1	-178	0	0	0	0	107.8	V71 Q100 Q101 W102 P130 L200 I201 F202 E203	V71-V73 HydrophobicContact CG1-CG2 4.08Å; V71-V73 PolarHBondContact O-N 3.12Å; V73-Q100 HydrophobicContact CG1-CB 4.13Å; V73-Q101 WeakPolarHBondContact CA-O 3.44Å; V73-W102 HydrophobicContact CG2-CB 4.06Å; V73-P130 HydrophobicContact CG1-CG 4.18Å; V73-P130 HydrophobicContact CG2-CB 4.11Å; V73-P130 HydrophobicContact CG2-CG 4.39Å; V73-L200 HydrophobicContact CG2-CD1 4.5Å; V73-L200 HydrophobicContact CG2-CD2 4.38Å; V73-L200 HydrophobicContact CG2-CG 4.27Å; V73-I201 PolarHBondContact N-O 2.84Å; V73-F202 HydrophobicContact CB-CD1 3.72Å; V73-F202 HydrophobicContact CB-CE1 3.86Å; V73-F202 HydrophobicContact CG1-CD1 3.98Å; V73-F202 HydrophobicContact CG1-CE1 3.88Å; V73-F202 HydrophobicContact CG2-CE1 4.3Å; V73-F202 WeakPolarHBondContact O-CA 3.32Å; V73-E203 PolarHBondContact O-N 2.93Å
74	T	97.9	Very high	95.5	Very high	36 Å²	36	44.5 Å²	44.5	22%	0.221	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	129.5	176.7	49.7	0	0	0	0	110.2	Q100 Q101 E203	T74-Q100 CarbonylContact O-C 3.36Å; T74-Q100 WeakPolarHBondContact O-CA 3.35Å; T74-Q101 PolarHBondContact N-O 3.12Å; T74-Q101 PolarHBondContact O-N 3.18Å; T74-Q101 WeakPolarHBondContact OG1-CB 3.4Å; T74-Q101 PolarHBondContact OG1-O 3.22Å; T74-Q101 VanDerWaalsContact OG1-O 3.12Å; T74-E203 CarbonylContact C-O 3.59Å; T74-E203 VanDerWaalsContact CA-O 3.3Å; T74-E203 WeakPolarHBondContact CA-O 3.37Å; T74-E203 HydrophobicContact CG2-CB 4.33Å
75	C	97.8	Very high	95.3	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	140.1	-174.7	-64.5	0	0	0	0	111.3	R99 E203 W204 L205 I244	C75-R99 WeakPolarHBondContact CA-O 3.3Å; C75-E203 PolarHBondContact N-O 3.05Å; C75-W204 HydrophobicContact CB-CE3 4.47Å; C75-W204 HydrophobicContact CB-CZ3 4.49Å; C75-L205 PolarHBondContact O-N 2.95Å; C75-I244 HydrophobicContact CB-CD1 3.7Å
76	N	96.6	Very high	95.3	Very high	4 Å²	4	44 Å²	44	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	141.4	171.8	164.3	-98.1	0	0	0	108.8	R99 L205 G208 P209 Q211	N76-R99 HydrophobicContact CB-CB 4.17Å; N76-R99 PolarHBondContact N-O 2.92Å; N76-R99 PolarHBondContact O-N 3.47Å; N76-R99 WeakPolarHBondContact OD1-CD 3.43Å; N76-R99 PolarHBondContact OD1-NH1 3.12Å; N76-L205 HydrophobicContact CB-CB 4.23Å; N76-L205 HydrophobicContact CB-CD2 4.07Å; N76-G208 PolarHBondContact ND2-O 3.17Å; N76-P209 CarbonylContact C-O 3.49Å; N76-P209 WeakPolarHBondContact CA-O 3.44Å; N76-P209 PolarHBondContact ND2-O 2.95Å; N76-Q211 PolarHBondContact ND2-NE2 2.82Å
77	I	97.4	Very high	95.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.7	-179.7	-61.1	175.4	0	0	0	109	I79 I96 F97 L98 M188 L190 W204 P209 V210 Q211	I77-I79 HydrophobicContact CG2-CG1 4.29Å; I77-I96 HydrophobicContact CG2-CB 3.93Å; I77-I96 HydrophobicContact CG2-CD1 4.23Å; I77-I96 HydrophobicContact CG2-CG2 3.85Å; I77-F97 WeakPolarHBondContact CA-O 3.48Å; I77-L98 HydrophobicContact CG1-CD1 4.05Å; I77-M188 HydrophobicContact CD1-SD 3.72Å; I77-L190 HydrophobicContact CD1-CD1 4.09Å; I77-L190 HydrophobicContact CD1-CD2 4.05Å; I77-W204 HydrophobicContact CD1-CH2 3.59Å; I77-W204 HydrophobicContact CD1-CZ3 3.74Å; I77-W204 HydrophobicContact CG1-CH2 4.36Å; I77-W204 HydrophobicContact CG1-CZ3 4Å; I77-P209 PolarHBondContact N-O 2.96Å; I77-V210 WeakPolarHBondContact O-CA 3.49Å; I77-Q211 PolarHBondContact O-N 3.04Å
78	F	97.3	Very high	95.1	Very high	43 Å²	43	33.6 Å²	33.6	19%	0.189	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	119.7	167.7	-179.7	-88.6	0	0	0	109.6	N80 I96 F97 Q211 A213	F78-N80 HydrophobicContact CD1-CB 4.41Å; F78-N80 HydrophobicContact CE1-CB 4.25Å; F78-N80 PolarHBondContact O-N 2.99Å; F78-I96 CarbonylContact O-C 3.56Å; F78-I96 WeakPolarHBondContact O-CA 3.03Å; F78-F97 HydrophobicContact CB-CB 4.15Å; F78-F97 HydrophobicContact CB-CD2 4.14Å; F78-F97 AromaticContact CD1-CD2 3.45Å; F78-F97 HydrophobicContact CD1-CD2 3.45Å; F78-F97 VanDerWaalsContact CD1-CD2 3.45Å; F78-F97 AromaticContact CD1-CE2 3.82Å; F78-F97 HydrophobicContact CD1-CE2 3.82Å; F78-F97 HydrophobicContact CD1-CG 4.36Å; F78-F97 HydrophobicContact CE1-CD2 4.21Å; F78-F97 HydrophobicContact CE1-CE2 4.12Å; F78-F97 HydrophobicContact CG-CD2 4.08Å; F78-F97 PolarHBondContact N-O 3.31Å; F78-F97 PolarHBondContact O-N 2.94Å; F78-Q211 CarbonylContact C-O 3.59Å; F78-Q211 WeakPolarHBondContact CA-O 3.41Å; F78-Q211 HydrophobicContact CB-CB 4.49Å; F78-Q211 HydrophobicContact CD2-CB 3.59Å; F78-Q211 HydrophobicContact CE2-CB 4.29Å; F78-Q211 HydrophobicContact CG-CB 4.46Å; F78-A213 HydrophobicContact CE1-CB 4.2Å; F78-A213 HydrophobicContact CZ-CB 3.9Å
79	I	97.1	Very high	95.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	106.6	179	-57.8	178	0	0	0	108.4	I77 F82 V94 I96 V210 Q211 V212 A213 L216 F248	I77-I79 HydrophobicContact CG2-CG1 4.29Å; I79-F82 HydrophobicContact CG2-CB 4.24Å; I79-F82 HydrophobicContact CG2-CD2 4.39Å; I79-V94 HydrophobicContact CG2-CG2 3.94Å; I79-I96 HydrophobicContact CG1-CG2 4.31Å; I79-V210 HydrophobicContact CD1-CG1 4.07Å; I79-Q211 PolarHBondContact N-O 3.38Å; I79-V212 HydrophobicContact CD1-CG2 4.32Å; I79-A213 WeakPolarHBondContact O-CB 3.47Å; I79-A213 PolarHBondContact O-N 3.19Å; I79-L216 HydrophobicContact CG2-CD2 4.05Å; I79-F248 HydrophobicContact CD1-CD1 4.36Å; I79-F248 HydrophobicContact CD1-CE1 3.43Å; I79-F248 VanDerWaalsContact CD1-CE1 3.43Å; I79-F248 HydrophobicContact CD1-CZ 3.68Å
80	N	95.2	Very high	95	Very high	60 Å²	60	33.6 Å²	33.6	32%	0.321	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-40.7	176.9	-175.5	75.1	0	0	0	111.7	F78 N95	F78-N80 HydrophobicContact CD1-CB 4.41Å; F78-N80 HydrophobicContact CE1-CB 4.25Å; F78-N80 PolarHBondContact O-N 2.99Å; N80-N95 PolarHBondContact N-O 3Å
81	S	94.6	Very high	94.9	Very high	50 Å²	50	32.6 Å²	32.6	35%	0.35	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	150.5	170.5	71	0	0	0	0	111.4	V94 N95	S81-V94 WeakPolarHBondContact O-CA 3.49Å; S81-V94 WeakPolarHBondContact O-CG2 3.46Å; S81-N95 PolarHBondContact N-O 3.49Å; S81-N95 PolarHBondContact O-N 2.91Å; S81-N95 WeakPolarHBondContact OG-CB 3.48Å
82	F	94.9	Very high	94.9	Very high	10 Å²	10	32.4 Å²	32.4	4%	0.044	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	133.9	175	-161.8	-71.1	0	0	0	105.6	I79 V85 Y92 V94 L216 L218 F248 L250	I79-F82 HydrophobicContact CG2-CB 4.24Å; I79-F82 HydrophobicContact CG2-CD2 4.39Å; F82-V85 HydrophobicContact CE1-CG2 4.02Å; F82-Y92 AromaticContact CE1-CD2 3.95Å; F82-Y92 HydrophobicContact CE1-CD2 3.95Å; F82-Y92 AromaticContact CE2-CD2 3.95Å; F82-Y92 HydrophobicContact CE2-CD2 3.95Å; F82-Y92 AromaticContact CE2-CE2 3.88Å; F82-Y92 HydrophobicContact CE2-CE2 3.88Å; F82-Y92 AromaticContact CZ-CD2 3.49Å; F82-Y92 HydrophobicContact CZ-CD2 3.49Å; F82-Y92 VanDerWaalsContact CZ-CD2 3.49Å; F82-Y92 AromaticContact CZ-CE2 3.76Å; F82-Y92 HydrophobicContact CZ-CE2 3.76Å; F82-Y92 HydrophobicContact CZ-CG 4.26Å; F82-V94 HydrophobicContact CD2-CG2 3.97Å; F82-L216 HydrophobicContact CB-CD1 4.44Å; F82-L216 HydrophobicContact CB-CD2 3.89Å; F82-L218 VanDerWaalsContact C-CD2 3.5Å; F82-L218 HydrophobicContact CB-CD2 4.14Å; F82-L218 HydrophobicContact CD1-CD1 3.77Å; F82-L218 HydrophobicContact CD1-CD2 3.75Å; F82-L218 HydrophobicContact CD1-CG 4.36Å; F82-L218 HydrophobicContact CE1-CD1 4.24Å; F82-L218 HydrophobicContact CG-CD1 4.5Å; F82-L218 HydrophobicContact CG-CD2 4.4Å; F82-L218 WeakPolarHBondContact O-CD2 3.26Å; F82-F248 HydrophobicContact CE2-CB 4.4Å; F82-F248 HydrophobicContact CE2-CD1 4.49Å; F82-F248 HydrophobicContact CE2-CD2 4.07Å; F82-F248 HydrophobicContact CE2-CG 4.05Å; F82-F248 HydrophobicContact CZ-CB 4.48Å; F82-L250 HydrophobicContact CE1-CD1 3.84Å; F82-L250 HydrophobicContact CE1-CD2 3.8Å; F82-L250 HydrophobicContact CE1-CG 4.44Å; F82-L250 HydrophobicContact CZ-CD1 3.97Å; F82-L250 HydrophobicContact CZ-CD2 3.97Å; F82-L250 HydrophobicContact CZ-CG 4.44Å
83	G	87.7	Confident	94.8	Very high	19 Å²	19	34.2 Å²	34.2	20%	0.196	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.8	-179.5	-175.3	0	0	0	0	0	114.5	V85 R93	G83-V85 VanDerWaalsContact C-N 3.26Å; G83-V85 PolarHBondContact O-N 3.02Å; G83-R93 PolarHBondContact N-O 3.47Å; G83-R93 CarbonylContact O-C 3.39Å; G83-R93 WeakPolarHBondContact O-CA 3.06Å; G83-R93 WeakPolarHBondContact O-CB 3.36Å; G83-R93 PolarHBondContact O-N 2.89Å
84	S	85.6	Confident	94.8	Very high	82 Å²	82	34.2 Å²	34.2	57%	0.573	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	51.8	42.1	179.3	-53.4	0	0	0	0	113.7	T86	S84-T86 PolarHBondContact O-N 2.63Å; S84-T86 VanDerWaalsContact O-N 3.09Å; S84-T86 PolarHBondContact O-OG1 3.08Å
85	V	93.6	Very high	94.7	Very high	12 Å²	12	33.1 Å²	33.1	7%	0.073	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	110.5	168.4	-176	0	0	0	0	106.8	F82 G83 M174 F221 L250	F82-V85 HydrophobicContact CE1-CG2 4.02Å; G83-V85 VanDerWaalsContact C-N 3.26Å; G83-V85 PolarHBondContact O-N 3.02Å; V85-M174 HydrophobicContact CG1-CE 3.63Å; V85-M174 HydrophobicContact CG1-SD 4.46Å; V85-F221 HydrophobicContact CB-CD2 4.17Å; V85-F221 HydrophobicContact CB-CE2 3.81Å; V85-F221 HydrophobicContact CG1-CD2 4.36Å; V85-F221 HydrophobicContact CG1-CE2 3.69Å; V85-F221 HydrophobicContact CG1-CZ 3.98Å; V85-F221 HydrophobicContact CG2-CD2 4.25Å; V85-F221 HydrophobicContact CG2-CE2 4.36Å; V85-L250 HydrophobicContact CG2-CD1 4.12Å
86	T	93.2	Very high	94.7	Very high	48 Å²	48	33.1 Å²	33.1	29%	0.294	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	111.8	-172.6	-53.6	0	0	0	0	108.7	S84 T88 T89 M90 D91	S84-T86 PolarHBondContact O-N 2.63Å; S84-T86 VanDerWaalsContact O-N 3.09Å; S84-T86 PolarHBondContact O-OG1 3.08Å; T86-T88 VanDerWaalsContact C-N 3.35Å; T86-T88 WeakPolarHBondContact CG2-OG1 3.38Å; T86-T88 PolarHBondContact O-N 3.04Å; T86-T89 VanDerWaalsContact CB-OG1 3.28Å; T86-T89 WeakPolarHBondContact CB-OG1 3.28Å; T86-T89 WeakPolarHBondContact CG2-OG1 3.45Å; T86-M90 WeakPolarHBondContact O-CA 3.28Å; T86-M90 PolarHBondContact O-N 3.15Å; T86-D91 PolarHBondContact N-O 3.27Å; T86-D91 PolarHBondContact O-N 2.94Å
87	E	92.6	Very high	94.8	Very high	19 Å²	19	35.7 Å²	35.7	9%	0.089	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-32.1	-175.8	-60.7	87	166.6	0	0	112.1	M90 M174 R252 P309	E87-M90 PolarHBondContact O-N 2.76Å; E87-M174 HydrophobicContact CB-SD 4.47Å; E87-M174 HydrophobicContact CG-SD 4.04Å; E87-R252 IonicContact OE1-CZ 3.26Å; E87-R252 IonicContact OE1-NH1 3.98Å; E87-R252 PolarHBondContact OE1-NH1 3.49Å; E87-R252 IonicContact OE1-NH2 3.36Å; E87-R252 PolarHBondContact OE1-NH2 3.49Å; E87-P309 WeakPolarHBondContact O-CD 3.5Å; E87-P309 WeakPolarHBondContact O-CG 3.41Å
88	T	92.5	Very high	94.8	Very high	76 Å²	76	35.8 Å²	35.8	47%	0.466	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-38.7	-177.9	53.7	0	0	0	0	112.3	T86	T86-T88 VanDerWaalsContact C-N 3.35Å; T86-T88 WeakPolarHBondContact CG2-OG1 3.38Å; T86-T88 PolarHBondContact O-N 3.04Å
89	T	94.2	Very high	94.8	Very high	67 Å²	67	37 Å²	37	41%	0.411	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-12.1	176.8	47.9	0	0	0	0	112.8	T86 D91 K138	T86-T89 VanDerWaalsContact CB-OG1 3.28Å; T86-T89 WeakPolarHBondContact CB-OG1 3.28Å; T86-T89 WeakPolarHBondContact CG2-OG1 3.45Å; T89-D91 VanDerWaalsContact CB-OD2 3.32Å; T89-D91 WeakPolarHBondContact CB-OD2 3.41Å; T89-D91 VanDerWaalsContact OG1-CG 3.24Å; T89-D91 PolarHBondContact OG1-OD1 3.29Å; T89-D91 PolarHBondContact OG1-OD2 2.88Å; T89-K138 PolarHBondContact O-NZ 3.31Å
90	M	95	Very high	94.9	Very high	56 Å²	56	37.2 Å²	37.2	28%	0.276	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	49.6	-175.3	-62.6	-174.7	169.7	0	0	112.4	T86 E87 C172 P309 V311	T86-M90 WeakPolarHBondContact O-CA 3.28Å; T86-M90 PolarHBondContact O-N 3.15Å; E87-M90 PolarHBondContact O-N 2.76Å; M90-C172 CarbonylContact C-O 3.58Å; M90-C172 CarbonylContact O-C 3.5Å; M90-C172 PolarHBondContact O-N 3.36Å; M90-P309 HydrophobicContact CE-CB 4.36Å; M90-P309 HydrophobicContact CE-CG 4.14Å; M90-V311 HydrophobicContact CE-CG1 4.49Å
91	D	96.7	Very high	95	Very high	19 Å²	19	36 Å²	36	10%	0.102	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	167.3	175.1	48.6	37.6	0	0	0	112.4	T86 T89 K138 T169 L170	T86-D91 PolarHBondContact N-O 3.27Å; T86-D91 PolarHBondContact O-N 2.94Å; T89-D91 VanDerWaalsContact CB-OD2 3.32Å; T89-D91 WeakPolarHBondContact CB-OD2 3.41Å; T89-D91 VanDerWaalsContact OG1-CG 3.24Å; T89-D91 PolarHBondContact OG1-OD1 3.29Å; T89-D91 PolarHBondContact OG1-OD2 2.88Å; D91-K138 HydrophobicContact CB-CD 4.13Å; D91-K138 WeakPolarHBondContact OD2-CD 3.41Å; D91-K138 IonicContact OD2-NZ 2.84Å; D91-K138 PolarHBondContact OD2-NZ 3.13Å; D91-T169 HydrophobicContact CB-CG2 4.03Å; D91-L170 WeakPolarHBondContact CA-O 3.27Å; D91-L170 WeakPolarHBondContact CB-O 3.45Å
92	Y	96.8	Very high	95.1	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	153	174	67.9	-78	0	0	0	109.8	F82 V94 T169 L170 C172 C186 T187	F82-Y92 AromaticContact CE1-CD2 3.95Å; F82-Y92 HydrophobicContact CE1-CD2 3.95Å; F82-Y92 AromaticContact CE2-CD2 3.95Å; F82-Y92 HydrophobicContact CE2-CD2 3.95Å; F82-Y92 AromaticContact CE2-CE2 3.88Å; F82-Y92 HydrophobicContact CE2-CE2 3.88Å; F82-Y92 AromaticContact CZ-CD2 3.49Å; F82-Y92 HydrophobicContact CZ-CD2 3.49Å; F82-Y92 VanDerWaalsContact CZ-CD2 3.49Å; F82-Y92 AromaticContact CZ-CE2 3.76Å; F82-Y92 HydrophobicContact CZ-CE2 3.76Å; F82-Y92 HydrophobicContact CZ-CG 4.26Å; Y92-V94 HydrophobicContact CD2-CB 4.47Å; Y92-V94 HydrophobicContact CE2-CB 4.37Å; Y92-V94 HydrophobicContact CE2-CG1 4.3Å; Y92-T169 WeakPolarHBondContact O-CA 3.26Å; Y92-L170 HydrophobicContact CD1-CB 4.15Å; Y92-L170 WeakPolarHBondContact CD1-O 3.34Å; Y92-L170 HydrophobicContact CE1-CB 3.55Å; Y92-L170 HydrophobicContact CE1-CD1 4.47Å; Y92-L170 HydrophobicContact CE2-CB 4.22Å; Y92-L170 HydrophobicContact CE2-CD1 3.98Å; Y92-L170 PolarHBondContact N-O 3.15Å; Y92-L170 PolarHBondContact O-N 3.19Å; Y92-L170 VanDerWaalsContact OH-CD1 3.28Å; Y92-L170 WeakPolarHBondContact OH-CD1 3.45Å; Y92-C172 HydrophobicContact CD1-CB 3.57Å; Y92-C172 HydrophobicContact CE1-CB 3.81Å; Y92-C186 HydrophobicContact CD1-CB 3.99Å; Y92-C186 HydrophobicContact CE1-CB 3.64Å; Y92-T187 PolarHBondContact OH-O 2.8Å
93	R	96.9	Very high	95.3	Very high	117 Å²	117	37.5 Å²	37.5	44%	0.442	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	135.1	179.5	-166.4	173.9	174.8	171.3	-1.1	110.3	G83 T167 L168	G83-R93 PolarHBondContact N-O 3.47Å; G83-R93 CarbonylContact O-C 3.39Å; G83-R93 WeakPolarHBondContact O-CA 3.06Å; G83-R93 WeakPolarHBondContact O-CB 3.36Å; G83-R93 PolarHBondContact O-N 2.89Å; R93-T167 HydrophobicContact CG-CG2 3.89Å; R93-L168 CarbonylContact C-O 3.6Å; R93-L168 VanDerWaalsContact CA-O 3.29Å; R93-L168 WeakPolarHBondContact CA-O 3.36Å
94	V	96.9	Very high	95.7	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	140.8	-179.4	66.5	0	0	0	0	110.1	I79 S81 F82 Y92 I96 T167 L168 L170 M188	I79-V94 HydrophobicContact CG2-CG2 3.94Å; S81-V94 WeakPolarHBondContact O-CA 3.49Å; S81-V94 WeakPolarHBondContact O-CG2 3.46Å; F82-V94 HydrophobicContact CD2-CG2 3.97Å; Y92-V94 HydrophobicContact CD2-CB 4.47Å; Y92-V94 HydrophobicContact CE2-CB 4.37Å; Y92-V94 HydrophobicContact CE2-CG1 4.3Å; V94-I96 HydrophobicContact CB-CG2 4.49Å; V94-I96 HydrophobicContact CG1-CG2 4.21Å; V94-I96 HydrophobicContact CG2-CG2 3.62Å; V94-T167 WeakPolarHBondContact O-CA 3.19Å; V94-L168 HydrophobicContact CG1-CB 3.95Å; V94-L168 HydrophobicContact CG1-CD1 4.42Å; V94-L168 PolarHBondContact N-O 2.82Å; V94-L168 PolarHBondContact O-N 2.88Å; V94-L170 HydrophobicContact CG1-CD1 4Å; V94-M188 HydrophobicContact CG1-CE 3.66Å
95	N	96.9	Very high	96.1	Very high	13 Å²	13	36 Å²	36	7%	0.07	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	118	171.7	-167.6	-37.3	0	0	0	107.9	N80 S81 H143 R165 L166	N80-N95 PolarHBondContact N-O 3Å; S81-N95 PolarHBondContact N-O 3.49Å; S81-N95 PolarHBondContact O-N 2.91Å; S81-N95 WeakPolarHBondContact OG-CB 3.48Å; N95-H143 PolarHBondContact ND2-CE1 2.79Å; N95-R165 PolarHBondContact ND2-NH2 3.38Å; N95-R165 PolarHBondContact OD1-NE 2.93Å; N95-L166 WeakPolarHBondContact CA-O 3.15Å; N95-L166 PolarHBondContact OD1-O 3.42Å
96	I	97.6	Very high	96.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	152.6	-174.4	65.2	171.6	0	0	0	111.7	I77 F78 I79 V94 L98 F134 R165 L166 L168 M188	I77-I96 HydrophobicContact CG2-CB 3.93Å; I77-I96 HydrophobicContact CG2-CD1 4.23Å; I77-I96 HydrophobicContact CG2-CG2 3.85Å; F78-I96 CarbonylContact O-C 3.56Å; F78-I96 WeakPolarHBondContact O-CA 3.03Å; I79-I96 HydrophobicContact CG1-CG2 4.31Å; V94-I96 HydrophobicContact CB-CG2 4.49Å; V94-I96 HydrophobicContact CG1-CG2 4.21Å; V94-I96 HydrophobicContact CG2-CG2 3.62Å; I96-L98 HydrophobicContact CD1-CB 4.28Å; I96-F134 HydrophobicContact CD1-CE1 4.27Å; I96-F134 HydrophobicContact CD1-CZ 3.9Å; I96-R165 WeakPolarHBondContact O-CA 3.3Å; I96-L166 HydrophobicContact CG1-CB 4.11Å; I96-L166 PolarHBondContact N-O 3.26Å; I96-L166 PolarHBondContact O-N 2.92Å; I96-L168 HydrophobicContact CD1-CD1 3.61Å; I96-L168 HydrophobicContact CG1-CD1 4.18Å; I96-M188 HydrophobicContact CD1-CE 4.43Å; I96-M188 HydrophobicContact CD1-SD 4.36Å; I96-M188 HydrophobicContact CG2-CE 4.17Å
97	F	97.8	Very high	96.2	Very high	57 Å²	57	37 Å²	37	25%	0.25	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	112.6	152.7	-51.2	-41.9	0	0	0	108.2	I77 F78 I164 R165	I77-F97 WeakPolarHBondContact CA-O 3.48Å; F78-F97 HydrophobicContact CB-CB 4.15Å; F78-F97 HydrophobicContact CB-CD2 4.14Å; F78-F97 AromaticContact CD1-CD2 3.45Å; F78-F97 HydrophobicContact CD1-CD2 3.45Å; F78-F97 VanDerWaalsContact CD1-CD2 3.45Å; F78-F97 AromaticContact CD1-CE2 3.82Å; F78-F97 HydrophobicContact CD1-CE2 3.82Å; F78-F97 HydrophobicContact CD1-CG 4.36Å; F78-F97 HydrophobicContact CE1-CD2 4.21Å; F78-F97 HydrophobicContact CE1-CE2 4.12Å; F78-F97 HydrophobicContact CG-CD2 4.08Å; F78-F97 PolarHBondContact N-O 3.31Å; F78-F97 PolarHBondContact O-N 2.94Å; F97-I164 CarbonylContact C-O 3.57Å; F97-I164 WeakPolarHBondContact CA-O 3.44Å; F97-R165 HydrophobicContact CD1-CB 3.75Å; F97-R165 HydrophobicContact CD1-CG 3.72Å; F97-R165 HydrophobicContact CE1-CB 3.84Å; F97-R165 HydrophobicContact CE1-CG 3.51Å
98	L	98	Very high	96.2	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	118.4	172.4	174.2	64.7	0	0	0	108.1	I77 I96 Q100 L132 F134 S163 I164 L166 L190	I77-L98 HydrophobicContact CG1-CD1 4.05Å; I96-L98 HydrophobicContact CD1-CB 4.28Å; L98-Q100 HydrophobicContact CD1-CG 4.43Å; L98-Q100 HydrophobicContact CD2-CG 4.49Å; L98-Q100 HydrophobicContact CG-CG 4.17Å; L98-L132 HydrophobicContact CD2-CD1 4.23Å; L98-L132 HydrophobicContact CD2-CD2 3.82Å; L98-F134 HydrophobicContact CD2-CZ 4.24Å; L98-S163 CarbonylContact O-C 3.58Å; L98-S163 VanDerWaalsContact O-CA 3.31Å; L98-S163 WeakPolarHBondContact O-CA 3.46Å; L98-I164 HydrophobicContact CB-CG1 4.04Å; L98-I164 HydrophobicContact CD2-CD1 4.31Å; L98-I164 HydrophobicContact CD2-CG1 4.45Å; L98-I164 PolarHBondContact N-O 3.44Å; L98-I164 PolarHBondContact O-N 3.41Å; L98-L166 HydrophobicContact CB-CD1 4.43Å; L98-L166 HydrophobicContact CD2-CD1 4.29Å; L98-L190 HydrophobicContact CD1-CD2 3.72Å
99	R	97.9	Very high	96.2	Very high	69 Å²	69	35.4 Å²	35.4	26%	0.26	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129.7	176	-54.2	-172.5	-175.4	131.1	-9.1	109.3	C75 N76 L161 Y162	C75-R99 WeakPolarHBondContact CA-O 3.3Å; N76-R99 HydrophobicContact CB-CB 4.17Å; N76-R99 PolarHBondContact N-O 2.92Å; N76-R99 PolarHBondContact O-N 3.47Å; N76-R99 WeakPolarHBondContact OD1-CD 3.43Å; N76-R99 PolarHBondContact OD1-NH1 3.12Å; R99-L161 HydrophobicContact CB-CD1 4.38Å; R99-Y162 CarbonylContact C-O 3.53Å; R99-Y162 WeakPolarHBondContact CA-O 3.43Å
100	Q	98	Very high	96	Very high	5 Å²	5	37.4 Å²	37.4	2%	0.023	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	133.4	179.3	-60.2	-179.3	66.5	0	0	108.1	V73 T74 L98 W102 Y162	V73-Q100 HydrophobicContact CG1-CB 4.13Å; T74-Q100 CarbonylContact O-C 3.36Å; T74-Q100 WeakPolarHBondContact O-CA 3.35Å; L98-Q100 HydrophobicContact CD1-CG 4.43Å; L98-Q100 HydrophobicContact CD2-CG 4.49Å; L98-Q100 HydrophobicContact CG-CG 4.17Å; Q100-W102 HydrophobicContact CB-CE3 4.33Å; Q100-W102 HydrophobicContact CB-CZ3 4.08Å; Q100-Y162 PolarHBondContact N-O 3.25Å; Q100-Y162 PolarHBondContact O-N 2.05Å
101	Q	97.7	Very high	95.6	Very high	35 Å²	35	40 Å²	40	16%	0.164	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	124.5	178.5	-65.1	174.3	38.1	0	0	109.8	V73 T74 V160 L161	V73-Q101 WeakPolarHBondContact CA-O 3.44Å; T74-Q101 PolarHBondContact N-O 3.12Å; T74-Q101 PolarHBondContact O-N 3.18Å; T74-Q101 WeakPolarHBondContact OG1-CB 3.4Å; T74-Q101 PolarHBondContact OG1-O 3.22Å; T74-Q101 VanDerWaalsContact OG1-O 3.12Å; Q101-V160 VanDerWaalsContact CA-O 3.28Å; Q101-V160 WeakPolarHBondContact CA-O 3.46Å; Q101-L161 HydrophobicContact CG-CB 4.36Å; Q101-L161 HydrophobicContact CG-CD1 3.48Å; Q101-L161 VanDerWaalsContact CG-CD1 3.48Å
102	W	97.6	Very high	95.1	Very high	6 Å²	6	41.4 Å²	41.4	2%	0.023	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	171.7	174.2	68.4	95.1	0	0	0	110	V71 V73 Q100 I127 W128 P130 K159 V160 Y162	V71-W102 HydrophobicContact CG1-CB 4.04Å; V73-W102 HydrophobicContact CG2-CB 4.06Å; Q100-W102 HydrophobicContact CB-CE3 4.33Å; Q100-W102 HydrophobicContact CB-CZ3 4.08Å; W102-I127 HydrophobicContact CZ2-CD1 4.44Å; W102-W128 AromaticContact CD1-CZ3 3.97Å; W102-W128 HydrophobicContact CD2-CZ3 4.49Å; W102-W128 HydrophobicContact CG-CZ3 4.32Å; W102-W128 WeakPolarHBondContact CZ2-O 3.31Å; W102-W128 AromaticContact NE1-CE3 3.84Å; W102-W128 AromaticContact NE1-CZ3 3.94Å; W102-P130 HydrophobicContact CE3-CG 4.14Å; W102-P130 HydrophobicContact CZ3-CG 4.06Å; W102-K159 WeakPolarHBondContact O-CA 3.34Å; W102-V160 HydrophobicContact CD2-CB 4.14Å; W102-V160 HydrophobicContact CH2-CB 4.38Å; W102-V160 HydrophobicContact CH2-CG1 3.76Å; W102-V160 HydrophobicContact CZ2-CB 3.86Å; W102-V160 HydrophobicContact CZ2-CG1 3.51Å; W102-V160 HydrophobicContact CZ2-CG2 4.42Å; W102-V160 HydrophobicContact CZ3-CG1 4.38Å; W102-V160 PolarHBondContact N-O 3.48Å; W102-V160 PolarHBondContact O-N 3.47Å; W102-Y162 HydrophobicContact CH2-CD1 4.45Å; W102-Y162 HydrophobicContact CH2-CG 4.26Å; W102-Y162 HydrophobicContact CZ3-CD1 4.39Å; W102-Y162 HydrophobicContact CZ3-CG 4.36Å
103	N	97.6	Very high	94.6	Very high	85 Å²	85	46 Å²	46	46%	0.455	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.3	176.4	-170	17.2	0	0	0	110.1	N157 G158	N103-N157 PolarHBondContact OD1-O 3.09Å; N103-G158 PolarHBondContact OD1-O 2.95Å
104	D	96.9	Very high	94.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.24	C	C	.	.			trans	-118.9	102.1	170	-168.6	-14.4	0	0	0	108.9	Y58 P64 R106 L107 G158 V160	Y58-D104 WeakPolarHBondContact CE2-OD2 3.34Å; Y58-D104 PolarHBondContact OH-OD2 3.18Å; P64-D104 HydrophobicContact CB-CB 4.35Å; P64-D104 HydrophobicContact CG-CB 3.91Å; D104-R106 PolarHBondContact O-N 3.08Å; D104-R106 VanDerWaalsContact O-N 3.11Å; D104-R106 WeakPolarHBondContact OD1-CB 3.39Å; D104-R106 IonicContact OD1-CZ 2.83Å; D104-R106 PolarHBondContact OD1-N 3.08Å; D104-R106 VanDerWaalsContact OD1-N 3.16Å; D104-R106 IonicContact OD1-NE 3.58Å; D104-R106 PolarHBondContact OD1-NE 3.46Å; D104-R106 IonicContact OD1-NH2 2.74Å; D104-R106 IonicContact OD2-CZ 3.22Å; D104-R106 IonicContact OD2-NE 3.6Å; D104-R106 IonicContact OD2-NH2 3.7Å; D104-R106 PolarHBondContact OD2-NH2 3.42Å; D104-L107 HydrophobicContact CB-CB 4.46Å; D104-L107 HydrophobicContact CB-CD1 4.01Å; D104-L107 HydrophobicContact CB-CG 4.24Å; D104-L107 PolarHBondContact O-N 3.48Å; D104-G158 PolarHBondContact N-O 2.99Å; D104-G158 WeakPolarHBondContact O-CA 3.41Å; D104-V160 HydrophobicContact CB-CG2 4.41Å
105	S	94.1	Very high	93.8	Very high	69 Å²	69	50.1 Å²	50.1	48%	0.483	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-61.9	-20.6	-177.8	59.6	0	0	0	0	113.4	L107 A108	S105-L107 VanDerWaalsContact C-N 3.28Å; S105-A108 WeakPolarHBondContact O-CB 3.4Å; S105-A108 PolarHBondContact O-N 3.5Å
106	R	94.6	Very high	93.6	Very high	80 Å²	80	51.7 Å²	51.7	30%	0.302	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-74.5	-21.3	178.1	-55.6	171.3	-66.2	175.5	2.5	112.4	Y58 D59 I62 D104	Y58-R106 HydrophobicContact CD2-CB 3.84Å; Y58-R106 HydrophobicContact CE2-CB 4Å; Y58-R106 PolarHBondContact OH-NH2 3.01Å; D59-R106 PolarHBondContact O-NH1 3.06Å; I62-R106 PolarHBondContact O-NH1 3.26Å; I62-R106 VanDerWaalsContact O-NH1 3.12Å; I62-R106 PolarHBondContact O-NH2 3.18Å; I62-R106 VanDerWaalsContact O-NH2 3.12Å; D104-R106 PolarHBondContact O-N 3.08Å; D104-R106 VanDerWaalsContact O-N 3.11Å; D104-R106 WeakPolarHBondContact OD1-CB 3.39Å; D104-R106 IonicContact OD1-CZ 2.83Å; D104-R106 PolarHBondContact OD1-N 3.08Å; D104-R106 VanDerWaalsContact OD1-N 3.16Å; D104-R106 IonicContact OD1-NE 3.58Å; D104-R106 PolarHBondContact OD1-NE 3.46Å; D104-R106 IonicContact OD1-NH2 2.74Å; D104-R106 IonicContact OD2-CZ 3.22Å; D104-R106 IonicContact OD2-NE 3.6Å; D104-R106 IonicContact OD2-NH2 3.7Å; D104-R106 PolarHBondContact OD2-NH2 3.42Å
107	L	93.8	Very high	93.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-96.1	4.7	178.3	-62.1	175.2	0	0	0	112.4	L51 M52 Y58 D104 S105 I127 I154 V160	L51-L107 HydrophobicContact CD2-CD2 4.22Å; L51-L107 HydrophobicContact CG-CD2 4.04Å; M52-L107 HydrophobicContact CG-CD2 4Å; Y58-L107 HydrophobicContact CD2-CD2 3.92Å; Y58-L107 HydrophobicContact CD2-CG 4.42Å; Y58-L107 HydrophobicContact CE2-CD1 4.23Å; Y58-L107 HydrophobicContact CE2-CD2 3.6Å; Y58-L107 HydrophobicContact CE2-CG 3.74Å; D104-L107 HydrophobicContact CB-CB 4.46Å; D104-L107 HydrophobicContact CB-CD1 4.01Å; D104-L107 HydrophobicContact CB-CG 4.24Å; D104-L107 PolarHBondContact O-N 3.48Å; S105-L107 VanDerWaalsContact C-N 3.28Å; L107-I127 HydrophobicContact CD1-CG2 4.23Å; L107-I154 HydrophobicContact CB-CG2 4.15Å; L107-I154 HydrophobicContact CD1-CD1 4.09Å; L107-V160 HydrophobicContact CD1-CG2 3.94Å
108	A	93.6	Very high	92.9	Very high	45 Å²	45	54.5 Å²	54.5	37%	0.372	30%	0.3	S	S	.	.			trans	-70.5	140.2	175.8	0	0	0	0	0	110.8	S105 K156	S105-A108 WeakPolarHBondContact O-CB 3.4Å; S105-A108 PolarHBondContact O-N 3.5Å; A108-K156 WeakPolarHBondContact CA-O 3.48Å
109	Y	92.3	Very high	92.6	Very high	17 Å²	17	55.3 Å²	55.3	7%	0.067	30%	0.304	C	S	.	.			trans	-141.8	150.8	-177.7	62.9	-90.3	0	0	0	112.1	F47 D114 D115 S116 L117 I154 K156	F47-Y109 HydrophobicContact CE1-CG 4.44Å; F47-Y109 HydrophobicContact CE2-CG 4.42Å; F47-Y109 HydrophobicContact CZ-CD1 4.16Å; F47-Y109 AromaticContact CZ-CD2 3.85Å; F47-Y109 HydrophobicContact CZ-CD2 3.85Å; F47-Y109 AromaticContact CZ-CG 3.59Å; F47-Y109 HydrophobicContact CZ-CG 3.59Å; Y109-D114 PolarHBondContact OH-O 2.89Å; Y109-D115 PolarHBondContact OH-O 3.47Å; Y109-S116 WeakPolarHBondContact OH-CA 3.36Å; Y109-L117 HydrophobicContact CD1-CD1 4.3Å; Y109-L117 HydrophobicContact CE1-CD1 3.72Å; Y109-L117 HydrophobicContact CE1-CG 4.28Å; Y109-L117 HydrophobicContact CE2-CD1 4.07Å; Y109-L117 HydrophobicContact CE2-CG 4.39Å; Y109-L117 WeakPolarHBondContact OH-CG 3.38Å; Y109-L117 PolarHBondContact OH-N 3.15Å; Y109-I154 HydrophobicContact CE1-CG2 4.15Å; Y109-I154 PolarHBondContact OH-O 3.11Å; Y109-K156 HydrophobicContact CD2-CG 3.9Å; Y109-K156 HydrophobicContact CE2-CB 4.31Å; Y109-K156 HydrophobicContact CE2-CD 4.49Å; Y109-K156 HydrophobicContact CE2-CG 3.35Å; Y109-K156 PolarHBondContact N-O 2.79Å
110	S	89.9	Confident	92.1	Very high	110 Å²	110	56.8 Å²	56.8	77%	0.769	32%	0.317	S	S	*	.	S	Bend	trans	-128.2	-13.5	179.4	55.6	0	0	0	0	113.7
111	E	86	Confident	91.7	Very high	110 Å²	110	57.9 Å²	57.9	51%	0.514	32%	0.324	S	S	.	.	S	Bend	trans	-81.1	-25.1	-173.8	-62.2	176.8	-175.6	0	0	113.1	L42 K50	L42-E111 WeakPolarHBondContact CD1-OE2 3.45Å; K50-E111 IonicContact NZ-OE1 3.66Å; K50-E111 PolarHBondContact NZ-OE1 3.12Å; K50-E111 IonicContact NZ-OE2 2.8Å; K50-E111 PolarHBondContact NZ-OE2 3.07Å
112	Y	85.6	Confident	91.2	Very high	49 Å²	49	60.2 Å²	60.2	19%	0.192	35%	0.345	C	S	.	.	S	Bend	trans	-92.6	134.4	-178.3	-154.9	-95.1	0	0	0	110.8	F47 D114 L117 K156	F47-Y112 HydrophobicContact CD1-CD2 4.36Å; F47-Y112 HydrophobicContact CD2-CD2 4.49Å; F47-Y112 HydrophobicContact CG-CD2 4.22Å; Y112-D114 HydrophobicContact CD1-CB 3.91Å; Y112-D114 HydrophobicContact CE1-CB 3.9Å; Y112-D114 WeakPolarHBondContact CE1-OD2 3.3Å; Y112-D114 PolarHBondContact O-N 2.9Å; Y112-L117 HydrophobicContact CD1-CD2 3.62Å; Y112-L117 HydrophobicContact CD1-CG 4.45Å; Y112-L117 HydrophobicContact CE1-CD2 3.53Å; Y112-L117 HydrophobicContact CG-CD2 4.34Å; Y112-K156 WeakPolarHBondContact O-CE 3.49Å
113	P	86.3	Confident	90.7	Very high	96 Å²	96	62.1 Å²	62.1	62%	0.623	35%	0.354	S	S	*	.	S	Bend	trans	-71	-27.5	-171.2	27.3	-35.2	0	0	0	113.8	K156	P113-K156 PolarHBondContact O-NZ 3.04Å
114	D	88.5	Confident	90.3	Very high	85 Å²	85	58.4 Å²	58.4	46%	0.455	33%	0.334	S	S	.	.	S	Bend	trans	-78.3	139.3	-176.6	-62.9	-22.1	0	0	0	112.2	Y109 Y112 S116 K156	Y109-D114 PolarHBondContact OH-O 2.89Å; Y112-D114 HydrophobicContact CD1-CB 3.91Å; Y112-D114 HydrophobicContact CE1-CB 3.9Å; Y112-D114 WeakPolarHBondContact CE1-OD2 3.3Å; Y112-D114 PolarHBondContact O-N 2.9Å; D114-S116 VanDerWaalsContact C-N 3.25Å; D114-S116 PolarHBondContact O-N 3.04Å; D114-K156 WeakPolarHBondContact O-CE 3.41Å
115	D	89.6	Confident	89.9	Confident	120 Å²	120	64.4 Å²	64.4	64%	0.642	37%	0.367	S	S	*	.	S	Bend	trans	-70.4	-21.9	-177.5	-67.4	-28.2	0	0	0	114	Y109 S155 K156	Y109-D115 PolarHBondContact OH-O 3.47Å; D115-S155 CarbonylContact O-C 3.18Å; D115-S155 WeakPolarHBondContact O-CA 3.36Å; D115-K156 PolarHBondContact O-N 2.79Å; D115-K156 IonicContact OD1-NZ 3.79Å; D115-K156 PolarHBondContact OD1-NZ 2.99Å
116	S	91.6	Very high	89.8	Confident	45 Å²	45	63.4 Å²	63.4	32%	0.315	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	141.9	177.1	64.8	0	0	0	0	111.6	Y109 D114 I154	Y109-S116 WeakPolarHBondContact OH-CA 3.36Å; D114-S116 VanDerWaalsContact C-N 3.25Å; D114-S116 PolarHBondContact O-N 3.04Å; S116-I154 CarbonylContact C-O 3.6Å; S116-I154 WeakPolarHBondContact CA-O 3.39Å
117	L	91.1	Very high	89.7	Confident	19 Å²	19	59.8 Å²	59.8	10%	0.099	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	120.6	175.1	-68.2	167.5	0	0	0	109.2	F47 Y109 Y112 L119 R153 I154	F47-L117 HydrophobicContact CD1-CD1 4.1Å; F47-L117 HydrophobicContact CE1-CD1 3.35Å; F47-L117 HydrophobicContact CZ-CD1 4.17Å; Y109-L117 HydrophobicContact CD1-CD1 4.3Å; Y109-L117 HydrophobicContact CE1-CD1 3.72Å; Y109-L117 HydrophobicContact CE1-CG 4.28Å; Y109-L117 HydrophobicContact CE2-CD1 4.07Å; Y109-L117 HydrophobicContact CE2-CG 4.39Å; Y109-L117 WeakPolarHBondContact OH-CG 3.38Å; Y109-L117 PolarHBondContact OH-N 3.15Å; Y112-L117 HydrophobicContact CD1-CD2 3.62Å; Y112-L117 HydrophobicContact CD1-CG 4.45Å; Y112-L117 HydrophobicContact CE1-CD2 3.53Å; Y112-L117 HydrophobicContact CG-CD2 4.34Å; L117-L119 HydrophobicContact CB-CD2 4.35Å; L117-R153 CarbonylContact O-C 3.58Å; L117-R153 VanDerWaalsContact O-CA 3.28Å; L117-R153 WeakPolarHBondContact O-CA 3.37Å; L117-I154 PolarHBondContact N-O 3.07Å; L117-I154 PolarHBondContact O-N 3.14Å
118	D	90.9	Very high	89.8	Confident	98 Å²	98	60.1 Å²	60.1	52%	0.524	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	121.3	167.6	-75	-38.5	0	0	0	108.9	R153	D118-R153 VanDerWaalsContact CG-NH2 3.31Å; D118-R153 IonicContact OD1-CZ 2.67Å; D118-R153 VanDerWaalsContact OD1-CZ 3.24Å; D118-R153 IonicContact OD1-NE 2.73Å; D118-R153 PolarHBondContact OD1-NE 2.91Å; D118-R153 IonicContact OD1-NH2 3.74Å; D118-R153 PolarHBondContact OD1-NH2 2.88Å; D118-R153 IonicContact OD2-CZ 2.66Å; D118-R153 IonicContact OD2-NE 2.67Å; D118-R153 IonicContact OD2-NH2 3.24Å; D118-R153 PolarHBondContact OD2-NH2 3.39Å
119	L	90.2	Very high	89.9	Confident	18 Å²	18	61.9 Å²	61.9	9%	0.094	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	149.4	-175.6	-60.4	-178.1	0	0	0	111.3	L48 M52 L117 L152 I154	L48-L119 HydrophobicContact CD1-CD2 3.98Å; L48-L119 HydrophobicContact CD2-CD2 3.4Å; L48-L119 VanDerWaalsContact CD2-CD2 3.4Å; L48-L119 HydrophobicContact CG-CD2 4.35Å; M52-L119 HydrophobicContact CE-CD1 4.16Å; L117-L119 HydrophobicContact CB-CD2 4.35Å; L119-L152 HydrophobicContact CB-CB 4.28Å; L119-L152 HydrophobicContact CB-CD2 3.98Å; L119-L152 HydrophobicContact CB-CG 4.18Å; L119-L152 HydrophobicContact CD1-CD2 3.72Å; L119-L152 HydrophobicContact CD1-CG 4.17Å; L119-L152 HydrophobicContact CG-CD2 4.42Å; L119-L152 PolarHBondContact N-O 2.78Å; L119-I154 HydrophobicContact CD1-CD1 3.48Å; L119-I154 VanDerWaalsContact CD1-CD1 3.48Å; L119-I154 HydrophobicContact CD1-CG1 3.96Å
120	D	88.9	Confident	90.2	Very high	100 Å²	100	61.6 Å²	61.6	54%	0.535	35%	0.347	S	S	.	.			trans	-64.3	140.5	172.8	-173	-91.9	0	0	0	111	S122 M123	D120-S122 PolarHBondContact O-N 2.93Å; D120-S122 VanDerWaalsContact O-N 3.09Å; D120-S122 WeakPolarHBondContact OD1-CB 3.37Å; D120-S122 PolarHBondContact OD1-N 3.47Å; D120-S122 PolarHBondContact OD1-OG 2.84Å; D120-M123 WeakPolarHBondContact O-CB 3.25Å; D120-M123 PolarHBondContact O-N 2.92Å
121	P	88.5	Confident	90.4	Very high	29 Å²	29	58.4 Å²	58.4	19%	0.188	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-54.1	-27.4	178.3	-30.4	38.3	0	0	0	115.2	M123 L124 D148 K150	P121-M123 PolarHBondContact O-N 3.1Å; P121-L124 HydrophobicContact CB-CD1 4.36Å; P121-L124 VanDerWaalsContact O-CB 3.26Å; P121-L124 WeakPolarHBondContact O-CB 3.22Å; P121-L124 WeakPolarHBondContact O-CD1 3.39Å; P121-L124 WeakPolarHBondContact O-CG 3.38Å; P121-L124 PolarHBondContact O-N 3.35Å; P121-L124 VanDerWaalsContact O-N 3.14Å; P121-D148 HydrophobicContact CB-CB 4.17Å; P121-K150 HydrophobicContact CB-CB 4.22Å; P121-K150 HydrophobicContact CG-CB 4.45Å; P121-K150 WeakPolarHBondContact CG-O 3.48Å
122	S	87.4	Confident	91	Very high	84 Å²	84	54.6 Å²	54.6	59%	0.587	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-61.6	-24.4	177.5	60.1	0	0	0	0	113.4	D120 L124	D120-S122 PolarHBondContact O-N 2.93Å; D120-S122 VanDerWaalsContact O-N 3.09Å; D120-S122 WeakPolarHBondContact OD1-CB 3.37Å; D120-S122 PolarHBondContact OD1-N 3.47Å; D120-S122 PolarHBondContact OD1-OG 2.84Å; S122-L124 VanDerWaalsContact C-N 3.26Å; S122-L124 PolarHBondContact O-N 2.86Å
123	M	87.3	Confident	91.5	Very high	45 Å²	45	55.1 Å²	55.1	22%	0.222	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-79.3	-5.7	179.1	-62.2	-63.5	-71	0	0	113.3	M52 D120 P121 D125 S126	M52-M123 HydrophobicContact CE-CE 3.41Å; M52-M123 VanDerWaalsContact CE-CE 3.41Å; M52-M123 HydrophobicContact SD-CE 4.36Å; D120-M123 WeakPolarHBondContact O-CB 3.25Å; D120-M123 PolarHBondContact O-N 2.92Å; P121-M123 PolarHBondContact O-N 3.1Å; M123-D125 PolarHBondContact O-N 2.88Å; M123-S126 WeakPolarHBondContact O-CB 3.08Å; M123-S126 PolarHBondContact O-N 2.9Å
124	L	88.9	Confident	92.1	Very high	7 Å²	7	51.2 Å²	51.2	4%	0.037	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-64.4	-22.7	-178.4	-81.8	165.4	0	0	0	114.5	P121 S122 S126 I127 K150 L152 Y162	P121-L124 HydrophobicContact CB-CD1 4.36Å; P121-L124 VanDerWaalsContact O-CB 3.26Å; P121-L124 WeakPolarHBondContact O-CB 3.22Å; P121-L124 WeakPolarHBondContact O-CD1 3.39Å; P121-L124 WeakPolarHBondContact O-CG 3.38Å; P121-L124 PolarHBondContact O-N 3.35Å; P121-L124 VanDerWaalsContact O-N 3.14Å; S122-L124 VanDerWaalsContact C-N 3.26Å; S122-L124 PolarHBondContact O-N 2.86Å; L124-S126 VanDerWaalsContact C-N 3.3Å; L124-I127 HydrophobicContact CD2-CD1 4.26Å; L124-K150 HydrophobicContact CD1-CB 3.63Å; L124-K150 HydrophobicContact CD1-CD 3.5Å; L124-K150 VanDerWaalsContact CD1-CD 3.5Å; L124-K150 HydrophobicContact CD1-CG 4.17Å; L124-L152 HydrophobicContact CD2-CB 4.04Å; L124-L152 HydrophobicContact CD2-CD1 4.1Å; L124-L152 HydrophobicContact CD2-CD2 3.89Å; L124-L152 HydrophobicContact CD2-CG 4.23Å; L124-L152 HydrophobicContact CG-CB 4.41Å; L124-L152 HydrophobicContact CG-CD2 4.25Å; L124-Y162 HydrophobicContact CD1-CD2 4.48Å; L124-Y162 HydrophobicContact CD1-CE2 3.72Å; L124-Y162 HydrophobicContact CD2-CD2 3.6Å; L124-Y162 HydrophobicContact CD2-CE2 3.43Å; L124-Y162 VanDerWaalsContact CD2-CE2 3.43Å; L124-Y162 HydrophobicContact CG-CE2 4.26Å
125	D	88.9	Confident	92.4	Very high	127 Å²	127	49.1 Å²	49.1	68%	0.679	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-82.6	-13.3	176.9	-69	-29.5	0	0	0	112.8	M123 K129	M123-D125 PolarHBondContact O-N 2.88Å; D125-K129 IonicContact OD1-NZ 3.51Å; D125-K129 PolarHBondContact OD1-NZ 3.21Å
126	S	91.1	Very high	92.8	Very high	48 Å²	48	44.6 Å²	44.6	34%	0.336	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-87.2	-5.9	176.1	-57.5	0	0	0	0	113.2	Y58 M123 L124	Y58-S126 VanDerWaalsContact CE1-O 3.25Å; Y58-S126 WeakPolarHBondContact CE1-O 3.44Å; M123-S126 WeakPolarHBondContact O-CB 3.08Å; M123-S126 PolarHBondContact O-N 2.9Å; L124-S126 VanDerWaalsContact C-N 3.3Å
127	I	94	Very high	93	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.015	26%	0.256	C	S	.	.	S	Bend	trans	-117.5	152.1	178.4	64.7	159.4	0	0	0	112.4	M52 W102 L107 L124 L152 V160	M52-I127 HydrophobicContact CG-CG2 4.33Å; M52-I127 HydrophobicContact SD-CG2 3.48Å; M52-I127 WeakPolarHBondContact SD-CG2 3.48Å; W102-I127 HydrophobicContact CZ2-CD1 4.44Å; L107-I127 HydrophobicContact CD1-CG2 4.23Å; L124-I127 HydrophobicContact CD2-CD1 4.26Å; I127-L152 HydrophobicContact CD1-CD1 3.48Å; I127-L152 VanDerWaalsContact CD1-CD1 3.48Å; I127-L152 HydrophobicContact CD1-CD2 3.65Å; I127-L152 HydrophobicContact CD1-CG 4.22Å; I127-L152 HydrophobicContact CG1-CD2 4.33Å; I127-V160 HydrophobicContact CD1-CG1 4.43Å
128	W	96.1	Very high	93.2	Very high	8 Å²	8	50.6 Å²	50.6	3%	0.03	27%	0.272	C	S	.	.			trans	-67.5	134.5	167.9	-179.4	89.1	0	0	0	109.8	Y58 A60 R63 P64 V71 W102 P130 Y195 L200	Y58-W128 PolarHBondContact OH-N 3.22Å; A60-W128 WeakPolarHBondContact O-CA 3.28Å; A60-W128 WeakPolarHBondContact O-CB 3.35Å; R63-W128 HydrophobicContact CB-CD2 4.47Å; R63-W128 HydrophobicContact CB-CZ2 3.84Å; P64-W128 VanDerWaalsContact CD-CD2 3.47Å; P64-W128 HydrophobicContact CG-CD2 4.37Å; P64-W128 HydrophobicContact CG-CE3 3.86Å; P64-W128 HydrophobicContact CG-CZ3 4.16Å; V71-W128 HydrophobicContact CB-CH2 4.46Å; V71-W128 HydrophobicContact CG1-CH2 4.23Å; V71-W128 HydrophobicContact CG1-CZ3 4.23Å; W102-W128 AromaticContact CD1-CZ3 3.97Å; W102-W128 HydrophobicContact CD2-CZ3 4.49Å; W102-W128 HydrophobicContact CG-CZ3 4.32Å; W102-W128 WeakPolarHBondContact CZ2-O 3.31Å; W102-W128 AromaticContact NE1-CE3 3.84Å; W102-W128 AromaticContact NE1-CZ3 3.94Å; W128-P130 HydrophobicContact CH2-CB 4.01Å; W128-P130 HydrophobicContact CZ3-CB 4.36Å; W128-Y195 AromaticContact CZ2-CE2 3.99Å; W128-Y195 HydrophobicContact CZ2-CE2 3.99Å; W128-Y195 AromaticContact NE1-CZ 3.77Å; W128-Y195 PolarHBondContact NE1-OH 3.1Å; W128-Y195 VanDerWaalsContact NE1-OH 3.07Å; W128-L200 HydrophobicContact CH2-CD1 3.9Å; W128-L200 HydrophobicContact CZ2-CD1 4.08Å
129	K	95.6	Very high	93.5	Very high	82 Å²	82	47.2 Å²	47.2	36%	0.357	26%	0.26	S	S	.	.			trans	-129.2	141	174.9	55.3	179.8	173.5	-81.2	0	110.2	D125	D125-K129 IonicContact OD1-NZ 3.51Å; D125-K129 PolarHBondContact OD1-NZ 3.21Å
130	P	97	Very high	93.7	Very high	10 Å²	10	48.4 Å²	48.4	7%	0.065	27%	0.273	C	S	.	.			trans	-63.3	144.5	175	28.3	-36.7	0	0	0	111.3	V73 W102 W128 L132 L200 F202	V73-P130 HydrophobicContact CG1-CG 4.18Å; V73-P130 HydrophobicContact CG2-CB 4.11Å; V73-P130 HydrophobicContact CG2-CG 4.39Å; W102-P130 HydrophobicContact CE3-CG 4.14Å; W102-P130 HydrophobicContact CZ3-CG 4.06Å; W128-P130 HydrophobicContact CH2-CB 4.01Å; W128-P130 HydrophobicContact CZ3-CB 4.36Å; P130-L132 VanDerWaalsContact C-N 3.3Å; P130-L132 PolarHBondContact O-N 3.31Å; P130-L132 VanDerWaalsContact O-N 3.16Å; P130-L200 HydrophobicContact CB-CD1 3.95Å; P130-F202 HydrophobicContact CB-CE1 4.38Å
131	D	95.6	Very high	94	Very high	44 Å²	44	48.4 Å²	48.4	24%	0.235	27%	0.273	C	S	.	.			trans	-91	54.5	-173.9	63.5	-14.7	0	0	0	112.5	F133 S192 F193 G194 Y195	D131-F133 PolarHBondContact O-N 2.97Å; D131-S192 PolarHBondContact OD1-OG 2.83Å; D131-F193 PolarHBondContact O-N 2.56Å; D131-G194 VanDerWaalsContact OD2-CA 3.29Å; D131-G194 WeakPolarHBondContact OD2-CA 3.41Å; D131-G194 PolarHBondContact OD2-N 3.23Å; D131-Y195 WeakPolarHBondContact OD1-CD2 3.49Å; D131-Y195 WeakPolarHBondContact OD2-CD2 3.43Å; D131-Y195 PolarHBondContact OD2-N 2.89Å
132	L	97.6	Very high	94.3	Very high	30 Å²	30	53.7 Å²	53.7	16%	0.157	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	127.7	179.6	-169.1	153.3	0	0	0	111	L98 P130 F134 L190 E191 F202	L98-L132 HydrophobicContact CD2-CD1 4.23Å; L98-L132 HydrophobicContact CD2-CD2 3.82Å; P130-L132 VanDerWaalsContact C-N 3.3Å; P130-L132 PolarHBondContact O-N 3.31Å; P130-L132 VanDerWaalsContact O-N 3.16Å; L132-F134 HydrophobicContact CD2-CE2 4.13Å; L132-F134 HydrophobicContact CD2-CZ 4.21Å; L132-L190 HydrophobicContact CD1-CB 4.17Å; L132-L190 HydrophobicContact CD1-CD2 3.85Å; L132-L190 HydrophobicContact CD2-CB 4.15Å; L132-L190 HydrophobicContact CD2-CD2 4.02Å; L132-L190 HydrophobicContact CD2-CG 4.19Å; L132-L190 HydrophobicContact CG-CB 4.23Å; L132-L190 HydrophobicContact CG-CD2 4.45Å; L132-E191 WeakPolarHBondContact CA-O 3.38Å; L132-F202 HydrophobicContact CB-CE2 4.37Å; L132-F202 HydrophobicContact CB-CZ 3.81Å; L132-F202 HydrophobicContact CD1-CE1 4.07Å; L132-F202 HydrophobicContact CD1-CE2 4.21Å; L132-F202 HydrophobicContact CD1-CZ 3.89Å; L132-F202 HydrophobicContact CG-CE2 4.16Å; L132-F202 HydrophobicContact CG-CZ 3.98Å
133	F	97.1	Very high	94.7	Very high	60 Å²	60	51.9 Å²	51.9	26%	0.263	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	165.6	167.9	80.2	-76	0	0	0	111.1	D131 A135 E191 F193	D131-F133 PolarHBondContact O-N 2.97Å; F133-A135 HydrophobicContact CE2-CB 4.36Å; F133-E191 HydrophobicContact CD1-CB 4.26Å; F133-E191 WeakPolarHBondContact CD1-O 3.22Å; F133-E191 HydrophobicContact CE1-CB 3.64Å; F133-E191 HydrophobicContact CE1-CG 3.67Å; F133-E191 HydrophobicContact CZ-CB 3.85Å; F133-E191 HydrophobicContact CZ-CG 3.9Å; F133-E191 PolarHBondContact N-O 3.12Å; F133-E191 PolarHBondContact O-N 3.21Å; F133-F193 HydrophobicContact CD1-CB 3.69Å; F133-F193 HydrophobicContact CD1-CD2 4.07Å; F133-F193 HydrophobicContact CD1-CG 4.4Å; F133-F193 HydrophobicContact CE1-CB 3.91Å; F133-F193 AromaticContact CE1-CD2 3.97Å; F133-F193 HydrophobicContact CE1-CD2 3.97Å; F133-F193 HydrophobicContact CE1-CG 4.45Å; F133-F193 HydrophobicContact CG-CD2 4.45Å; F133-F193 HydrophobicContact CZ-CD2 4.26Å
134	F	97.9	Very high	94.8	Very high	14 Å²	14	54.8 Å²	54.8	6%	0.061	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	118.2	178.2	-66.7	-88.7	0	0	0	109.6	I96 L98 L132 N136 E137 L166 L168 L170 M188 Q189 L190	I96-F134 HydrophobicContact CD1-CE1 4.27Å; I96-F134 HydrophobicContact CD1-CZ 3.9Å; L98-F134 HydrophobicContact CD2-CZ 4.24Å; L132-F134 HydrophobicContact CD2-CE2 4.13Å; L132-F134 HydrophobicContact CD2-CZ 4.21Å; F134-N136 VanDerWaalsContact C-N 3.28Å; F134-N136 PolarHBondContact O-N 2.72Å; F134-E137 HydrophobicContact CB-CB 3.72Å; F134-E137 PolarHBondContact O-N 2.93Å; F134-L166 HydrophobicContact CE2-CD1 3.77Å; F134-L166 HydrophobicContact CZ-CD1 4.19Å; F134-L168 HydrophobicContact CD1-CD1 3.83Å; F134-L168 HydrophobicContact CD2-CD1 3.98Å; F134-L168 HydrophobicContact CD2-CD2 3.77Å; F134-L168 HydrophobicContact CE1-CD1 3.48Å; F134-L168 VanDerWaalsContact CE1-CD1 3.48Å; F134-L168 HydrophobicContact CE2-CD1 3.67Å; F134-L168 HydrophobicContact CE2-CD2 3.81Å; F134-L168 HydrophobicContact CE2-CG 4.38Å; F134-L168 HydrophobicContact CG-CD1 4.07Å; F134-L168 HydrophobicContact CG-CD2 4.38Å; F134-L168 HydrophobicContact CZ-CD1 3.41Å; F134-L168 VanDerWaalsContact CZ-CD1 3.41Å; F134-L168 HydrophobicContact CZ-CD2 4.42Å; F134-L170 HydrophobicContact CB-CD2 4.17Å; F134-L170 HydrophobicContact CD1-CD2 4.46Å; F134-L170 HydrophobicContact CG-CD2 4.5Å; F134-M188 HydrophobicContact CD1-CG 3.94Å; F134-M188 HydrophobicContact CD1-SD 4.5Å; F134-M188 HydrophobicContact CE1-CG 3.95Å; F134-M188 HydrophobicContact CE1-SD 3.92Å; F134-Q189 CarbonylContact C-O 3.58Å; F134-Q189 VanDerWaalsContact CA-O 3.26Å; F134-Q189 WeakPolarHBondContact CA-O 3.32Å; F134-L190 HydrophobicContact CD1-CD1 4.37Å; F134-L190 HydrophobicContact CD1-CG 4.02Å; F134-L190 HydrophobicContact CE1-CD1 4.03Å; F134-L190 HydrophobicContact CE1-CD2 4.04Å; F134-L190 HydrophobicContact CE1-CG 3.64Å; F134-L190 HydrophobicContact CZ-CD2 4.37Å; F134-L190 HydrophobicContact CZ-CG 4.35Å
135	A	96.2	Very high	94.9	Very high	40 Å²	40	59.9 Å²	59.9	33%	0.331	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-28.2	-172.1	0	0	0	0	0	113.6	F133 Q189 E191	F133-A135 HydrophobicContact CE2-CB 4.36Å; A135-Q189 HydrophobicContact CB-CB 3.99Å; A135-Q189 PolarHBondContact N-O 2.92Å; A135-E191 HydrophobicContact CB-CB 4.46Å
136	N	96.2	Very high	95	Very high	25 Å²	25	60.3 Å²	60.3	13%	0.134	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	25.7	-179	67.7	-43.1	0	0	0	113.3	F134 S171 T187 Q189	F134-N136 VanDerWaalsContact C-N 3.28Å; F134-N136 PolarHBondContact O-N 2.72Å; N136-S171 PolarHBondContact ND2-O 3.28Å; N136-S171 WeakPolarHBondContact O-CB 3.39Å; N136-S171 PolarHBondContact O-N 3.26Å; N136-T187 PolarHBondContact ND2-O 3.35Å; N136-Q189 PolarHBondContact OD1-N 2.91Å
137	E	96.7	Very high	95	Very high	90 Å²	90	62.6 Å²	62.6	42%	0.421	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	137.8	175.7	140.2	-80.3	156.4	0	0	112	F134 A140 L170	F134-E137 HydrophobicContact CB-CB 3.72Å; F134-E137 PolarHBondContact O-N 2.93Å; E137-A140 HydrophobicContact CG-CB 4.24Å; E137-L170 HydrophobicContact CB-CD2 4.11Å
138	K	96.3	Very high	94.8	Very high	100 Å²	100	65.8 Å²	65.8	44%	0.435	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-23.5	167.4	-65	-172.4	-176.4	177.3	0	112.2	T89 D91 T169	T89-K138 PolarHBondContact O-NZ 3.31Å; D91-K138 HydrophobicContact CB-CD 4.13Å; D91-K138 WeakPolarHBondContact OD2-CD 3.41Å; D91-K138 IonicContact OD2-NZ 2.84Å; D91-K138 PolarHBondContact OD2-NZ 3.13Å; K138-T169 HydrophobicContact CB-CG2 4.42Å; K138-T169 PolarHBondContact N-O 3.08Å
139	G	95.5	Very high	94.7	Very high	27 Å²	27	68 Å²	68	28%	0.278	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	146.6	174.1	0	0	0	0	0	110.4	T169	G139-T169 PolarHBondContact N-O 3Å; G139-T169 PolarHBondContact O-N 2.8Å
140	A	96.1	Very high	94.6	Very high	44 Å²	44	67.1 Å²	67.1	36%	0.364	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	136.6	-179.7	0	0	0	0	0	109.9	E137 T167 L168	E137-A140 HydrophobicContact CG-CB 4.24Å; A140-T167 CarbonylContact C-O 3.58Å; A140-T167 WeakPolarHBondContact CA-O 3.22Å; A140-L168 HydrophobicContact CB-CD2 3.52Å
141	N	95	Very high	94.5	Very high	100 Å²	100	69.9 Å²	69.9	54%	0.535	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.6	178.1	-63.8	-21.3	0	0	0	110.4	T167	N141-T167 PolarHBondContact N-O 3.07Å; N141-T167 PolarHBondContact O-N 2.63Å
142	F	95	Very high	94.5	Very high	140 Å²	140	67.8 Å²	67.8	61%	0.614	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	156.8	165.5	-61	-81.3	0	0	0	110.2	I164 L166	F142-I164 HydrophobicContact CE1-CD1 4.49Å; F142-L166 HydrophobicContact CD1-CD2 3.32Å; F142-L166 HydrophobicContact CE1-CD2 3.4Å; F142-L166 HydrophobicContact CG-CD2 4.18Å; F142-L166 HydrophobicContact CZ-CD2 4.28Å
143	H	94	Very high	94.4	Very high	46 Å²	46	70.5 Å²	70.5	21%	0.213	38%	0.379	C	S	.	.			trans	-110.3	118.1	175.1	-62.7	-105.4	0	0	0	110.1	N95 N149 R165 T167	N95-H143 PolarHBondContact ND2-CE1 2.79Å; H143-N149 HydrophobicContact CB-CB 4.25Å; H143-N149 VanDerWaalsContact CB-ND2 3.25Å; H143-N149 WeakPolarHBondContact CB-ND2 3.43Å; H143-N149 WeakPolarHBondContact O-CB 3.43Å; H143-N149 PolarHBondContact O-N 2.88Å; H143-N149 PolarHBondContact O-ND2 2.85Å; H143-R165 HydrophobicContact CB-CG 4.49Å; H143-R165 VanDerWaalsContact CD2-CG 3.49Å; H143-R165 WeakPolarHBondContact CD2-CG 3.25Å; H143-T167 PolarHBondContact CE1-OG1 3.22Å; H143-T167 PolarHBondContact NE2-N 2.71Å; H143-T167 PolarHBondContact NE2-OG1 3.4Å
144	D	91.1	Very high	94.3	Very high	106 Å²	106	67.7 Å²	67.7	57%	0.567	37%	0.366	S	S	*	.			trans	-114.3	-2.3	-173	57.8	-14.2	0	0	0	113.9	T146 T147	D144-T146 CarbonylContact O-C 3.47Å; D144-T147 CarbonylContact C-O 3.56Å; D144-T147 CarbonylContact O-C 3.6Å; D144-T147 WeakPolarHBondContact O-CA 3.35Å; D144-T147 PolarHBondContact O-N 3.21Å
145	V	90.5	Very high	94.3	Very high	114 Å²	114	68.5 Å²	68.5	69%	0.691	37%	0.374	S	S	*	.	S	Bend	trans	-97.3	132.6	179.6	-178.1	0	0	0	0	111.3	T147 N149	V145-T147 VanDerWaalsContact C-N 3.33Å; V145-N149 PolarHBondContact O-ND2 2.86Å
146	T	91.2	Very high	94.2	Very high	135 Å²	135	69.6 Å²	69.6	83%	0.828	37%	0.371	S	S	*	.	S	Bend	cis	-78.3	-14.8	-12.4	48.5	0	0	0	0	113.3	D144	D144-T146 CarbonylContact O-C 3.47Å
147	T	90.1	Very high	94.1	Very high	97 Å²	97	73.4 Å²	73.4	60%	0.595	39%	0.392	S	S	*	.	S	Bend	trans	-136.3	164.9	172.7	52.7	0	0	0	0	108.5	D144 V145 N149	D144-T147 CarbonylContact C-O 3.56Å; D144-T147 CarbonylContact O-C 3.6Å; D144-T147 WeakPolarHBondContact O-CA 3.35Å; D144-T147 PolarHBondContact O-N 3.21Å; V145-T147 VanDerWaalsContact C-N 3.33Å; T147-N149 PolarHBondContact O-N 2.69Å; T147-N149 VanDerWaalsContact O-N 3.1Å
148	D	90.9	Very high	94	Very high	69 Å²	69	69.1 Å²	69.1	37%	0.369	37%	0.372	S	S	.	.			trans	-52	117.2	173.4	-91.6	13.5	0	0	0	111.4	P121 K150	P121-D148 HydrophobicContact CB-CB 4.17Å; D148-K150 HydrophobicContact CB-CD 4.34Å; D148-K150 HydrophobicContact CB-CG 4.32Å; D148-K150 PolarHBondContact O-N 2.92Å; D148-K150 WeakPolarHBondContact OD2-CE 3.35Å; D148-K150 IonicContact OD2-NZ 2.72Å; D148-K150 PolarHBondContact OD2-NZ 2.8Å
149	N	92.8	Very high	94	Very high	54 Å²	54	68.4 Å²	68.4	29%	0.289	37%	0.369	S	S	.	.			trans	-80.5	67.2	-179.5	-68	-61.5	0	0	0	110.8	H143 V145 T147 R165	H143-N149 HydrophobicContact CB-CB 4.25Å; H143-N149 VanDerWaalsContact CB-ND2 3.25Å; H143-N149 WeakPolarHBondContact CB-ND2 3.43Å; H143-N149 WeakPolarHBondContact O-CB 3.43Å; H143-N149 PolarHBondContact O-N 2.88Å; H143-N149 PolarHBondContact O-ND2 2.85Å; V145-N149 PolarHBondContact O-ND2 2.86Å; T147-N149 PolarHBondContact O-N 2.69Å; T147-N149 VanDerWaalsContact O-N 3.1Å; N149-R165 HydrophobicContact CB-CB 3.86Å; N149-R165 PolarHBondContact O-N 3.27Å; N149-R165 VanDerWaalsContact O-N 3.12Å
150	K	94.8	Very high	94.1	Very high	64 Å²	64	67.1 Å²	67.1	28%	0.278	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	143.8	178.3	-49.1	176.6	-176.8	152	0	108.1	P121 L124 D148 S163 I164	P121-K150 HydrophobicContact CB-CB 4.22Å; P121-K150 HydrophobicContact CG-CB 4.45Å; P121-K150 WeakPolarHBondContact CG-O 3.48Å; L124-K150 HydrophobicContact CD1-CB 3.63Å; L124-K150 HydrophobicContact CD1-CD 3.5Å; L124-K150 VanDerWaalsContact CD1-CD 3.5Å; L124-K150 HydrophobicContact CD1-CG 4.17Å; D148-K150 HydrophobicContact CB-CD 4.34Å; D148-K150 HydrophobicContact CB-CG 4.32Å; D148-K150 PolarHBondContact O-N 2.92Å; D148-K150 WeakPolarHBondContact OD2-CE 3.35Å; D148-K150 IonicContact OD2-NZ 2.72Å; D148-K150 PolarHBondContact OD2-NZ 2.8Å; K150-S163 CarbonylContact C-O 3.59Å; K150-S163 WeakPolarHBondContact CA-O 3.37Å; K150-I164 HydrophobicContact CB-CG2 4.07Å; K150-I164 HydrophobicContact CG-CG2 3.87Å
151	L	94.5	Very high	94.1	Very high	68 Å²	68	66.8 Å²	66.8	36%	0.356	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	130.8	175	175.2	156.3	0	0	0	107.7	R153 L161 Y162 S163	L151-R153 HydrophobicContact CD2-CB 4.24Å; L151-L161 HydrophobicContact CD2-CD2 4.21Å; L151-L161 HydrophobicContact CD2-CG 4.36Å; L151-Y162 WeakPolarHBondContact O-CA 3.22Å; L151-S163 PolarHBondContact N-O 3.29Å; L151-S163 PolarHBondContact O-N 3.31Å
152	L	95.4	Very high	94.2	Very high	1 Å²	1	63 Å²	63	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	122.7	175	178.4	61.9	0	0	0	108.6	L119 L124 I127 V160 L161	L119-L152 HydrophobicContact CB-CB 4.28Å; L119-L152 HydrophobicContact CB-CD2 3.98Å; L119-L152 HydrophobicContact CB-CG 4.18Å; L119-L152 HydrophobicContact CD1-CD2 3.72Å; L119-L152 HydrophobicContact CD1-CG 4.17Å; L119-L152 HydrophobicContact CG-CD2 4.42Å; L119-L152 PolarHBondContact N-O 2.78Å; L124-L152 HydrophobicContact CD2-CB 4.04Å; L124-L152 HydrophobicContact CD2-CD1 4.1Å; L124-L152 HydrophobicContact CD2-CD2 3.89Å; L124-L152 HydrophobicContact CD2-CG 4.23Å; L124-L152 HydrophobicContact CG-CB 4.41Å; L124-L152 HydrophobicContact CG-CD2 4.25Å; I127-L152 HydrophobicContact CD1-CD1 3.48Å; I127-L152 VanDerWaalsContact CD1-CD1 3.48Å; I127-L152 HydrophobicContact CD1-CD2 3.65Å; I127-L152 HydrophobicContact CD1-CG 4.22Å; I127-L152 HydrophobicContact CG1-CD2 4.33Å; L152-V160 HydrophobicContact CD1-CG1 3.53Å; L152-L161 WeakPolarHBondContact CA-O 3.4Å
153	R	95.6	Very high	94.3	Very high	86 Å²	86	57.1 Å²	57.1	33%	0.325	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	128.8	175.9	178.1	177.6	-65.6	179.3	-6.3	110.3	L117 D118 L151 V160 L161	L117-R153 CarbonylContact O-C 3.58Å; L117-R153 VanDerWaalsContact O-CA 3.28Å; L117-R153 WeakPolarHBondContact O-CA 3.37Å; D118-R153 VanDerWaalsContact CG-NH2 3.31Å; D118-R153 IonicContact OD1-CZ 2.67Å; D118-R153 VanDerWaalsContact OD1-CZ 3.24Å; D118-R153 IonicContact OD1-NE 2.73Å; D118-R153 PolarHBondContact OD1-NE 2.91Å; D118-R153 IonicContact OD1-NH2 3.74Å; D118-R153 PolarHBondContact OD1-NH2 2.88Å; D118-R153 IonicContact OD2-CZ 2.66Å; D118-R153 IonicContact OD2-NE 2.67Å; D118-R153 IonicContact OD2-NH2 3.24Å; D118-R153 PolarHBondContact OD2-NH2 3.39Å; L151-R153 HydrophobicContact CD2-CB 4.24Å; R153-V160 WeakPolarHBondContact O-CA 3.37Å; R153-L161 HydrophobicContact CB-CB 4.26Å; R153-L161 PolarHBondContact N-O 3.49Å; R153-L161 PolarHBondContact O-N 2.83Å
154	I	95.4	Very high	94.4	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120	176.9	-53.9	-179.1	0	0	0	109.1	L107 Y109 S116 L117 L119 V160	L107-I154 HydrophobicContact CB-CG2 4.15Å; L107-I154 HydrophobicContact CD1-CD1 4.09Å; Y109-I154 HydrophobicContact CE1-CG2 4.15Å; Y109-I154 PolarHBondContact OH-O 3.11Å; S116-I154 CarbonylContact C-O 3.6Å; S116-I154 WeakPolarHBondContact CA-O 3.39Å; L117-I154 PolarHBondContact N-O 3.07Å; L117-I154 PolarHBondContact O-N 3.14Å; L119-I154 HydrophobicContact CD1-CD1 3.48Å; L119-I154 VanDerWaalsContact CD1-CD1 3.48Å; L119-I154 HydrophobicContact CD1-CG1 3.96Å; I154-V160 HydrophobicContact CG1-CG2 4.44Å
155	S	96.1	Very high	94.7	Very high	32 Å²	32	53.9 Å²	53.9	22%	0.224	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	153.8	175.3	-51.6	0	0	0	0	110.7	D115 N157 G158 K159	D115-S155 CarbonylContact O-C 3.18Å; D115-S155 WeakPolarHBondContact O-CA 3.36Å; S155-N157 VanDerWaalsContact CB-OD1 3.3Å; S155-N157 WeakPolarHBondContact CB-OD1 3.47Å; S155-N157 PolarHBondContact O-N 3.22Å; S155-G158 PolarHBondContact O-N 3.26Å; S155-K159 PolarHBondContact N-O 3.18Å; S155-K159 PolarHBondContact OG-O 3.24Å
156	K	94.3	Very high	95	Very high	62 Å²	62	48.9 Å²	48.9	27%	0.27	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-37.5	178.2	-85.2	179.7	176.5	151.1	0	114.7	A108 Y109 Y112 P113 D114 D115 G158	A108-K156 WeakPolarHBondContact CA-O 3.48Å; Y109-K156 HydrophobicContact CD2-CG 3.9Å; Y109-K156 HydrophobicContact CE2-CB 4.31Å; Y109-K156 HydrophobicContact CE2-CD 4.49Å; Y109-K156 HydrophobicContact CE2-CG 3.35Å; Y109-K156 PolarHBondContact N-O 2.79Å; Y112-K156 WeakPolarHBondContact O-CE 3.49Å; P113-K156 PolarHBondContact O-NZ 3.04Å; D114-K156 WeakPolarHBondContact O-CE 3.41Å; D115-K156 PolarHBondContact O-N 2.79Å; D115-K156 IonicContact OD1-NZ 3.79Å; D115-K156 PolarHBondContact OD1-NZ 2.99Å; K156-G158 PolarHBondContact O-N 3.44Å
157	N	94.2	Very high	95.3	Very high	106 Å²	106	43 Å²	43	57%	0.567	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	2.6	-178.2	65.4	-4.7	0	0	0	114.9	N103 S155 K159	N103-N157 PolarHBondContact OD1-O 3.09Å; S155-N157 VanDerWaalsContact CB-OD1 3.3Å; S155-N157 WeakPolarHBondContact CB-OD1 3.47Å; S155-N157 PolarHBondContact O-N 3.22Å; N157-K159 WeakPolarHBondContact OD1-CB 3.48Å; N157-K159 PolarHBondContact OD1-N 3.19Å
158	G	94.4	Very high	95.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	88.6	2.2	-176.5	0	0	0	0	0	114.2	N103 D104 S155 K156 V160	N103-G158 PolarHBondContact OD1-O 2.95Å; D104-G158 PolarHBondContact N-O 2.99Å; D104-G158 WeakPolarHBondContact O-CA 3.41Å; S155-G158 PolarHBondContact O-N 3.26Å; K156-G158 PolarHBondContact O-N 3.44Å; G158-V160 PolarHBondContact O-N 2.84Å
159	K	96.6	Very high	96	Very high	85 Å²	85	37 Å²	37	37%	0.37	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	123.3	174.6	-172.2	177.4	180	-179.6	0	110.3	W102 S155 N157	W102-K159 WeakPolarHBondContact O-CA 3.34Å; S155-K159 PolarHBondContact N-O 3.18Å; S155-K159 PolarHBondContact OG-O 3.24Å; N157-K159 WeakPolarHBondContact OD1-CB 3.48Å; N157-K159 PolarHBondContact OD1-N 3.19Å
160	V	97	Very high	96.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128.9	178.3	-174.6	0	0	0	0	109	Q101 W102 D104 L107 I127 L152 R153 I154 G158	Q101-V160 VanDerWaalsContact CA-O 3.28Å; Q101-V160 WeakPolarHBondContact CA-O 3.46Å; W102-V160 HydrophobicContact CD2-CB 4.14Å; W102-V160 HydrophobicContact CH2-CB 4.38Å; W102-V160 HydrophobicContact CH2-CG1 3.76Å; W102-V160 HydrophobicContact CZ2-CB 3.86Å; W102-V160 HydrophobicContact CZ2-CG1 3.51Å; W102-V160 HydrophobicContact CZ2-CG2 4.42Å; W102-V160 HydrophobicContact CZ3-CG1 4.38Å; W102-V160 PolarHBondContact N-O 3.48Å; W102-V160 PolarHBondContact O-N 3.47Å; D104-V160 HydrophobicContact CB-CG2 4.41Å; L107-V160 HydrophobicContact CD1-CG2 3.94Å; I127-V160 HydrophobicContact CD1-CG1 4.43Å; L152-V160 HydrophobicContact CD1-CG1 3.53Å; R153-V160 WeakPolarHBondContact O-CA 3.37Å; I154-V160 HydrophobicContact CG1-CG2 4.44Å; G158-V160 PolarHBondContact O-N 2.84Å
161	L	96.9	Very high	96.3	Very high	37 Å²	37	33.3 Å²	33.3	19%	0.194	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.8	167.7	170.4	68.6	0	0	0	108.2	R99 Q101 L151 L152 R153	R99-L161 HydrophobicContact CB-CD1 4.38Å; Q101-L161 HydrophobicContact CG-CB 4.36Å; Q101-L161 HydrophobicContact CG-CD1 3.48Å; Q101-L161 VanDerWaalsContact CG-CD1 3.48Å; L151-L161 HydrophobicContact CD2-CD2 4.21Å; L151-L161 HydrophobicContact CD2-CG 4.36Å; L152-L161 WeakPolarHBondContact CA-O 3.4Å; R153-L161 HydrophobicContact CB-CB 4.26Å; R153-L161 PolarHBondContact N-O 3.49Å; R153-L161 PolarHBondContact O-N 2.83Å
162	Y	96.8	Very high	96.4	Very high	19 Å²	19	30 Å²	30	8%	0.075	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.4	174.5	176.7	-130.7	0	0	0	109.2	R99 Q100 W102 L124 L151 I164	R99-Y162 CarbonylContact C-O 3.53Å; R99-Y162 WeakPolarHBondContact CA-O 3.43Å; Q100-Y162 PolarHBondContact N-O 3.25Å; Q100-Y162 PolarHBondContact O-N 2.05Å; W102-Y162 HydrophobicContact CH2-CD1 4.45Å; W102-Y162 HydrophobicContact CH2-CG 4.26Å; W102-Y162 HydrophobicContact CZ3-CD1 4.39Å; W102-Y162 HydrophobicContact CZ3-CG 4.36Å; L124-Y162 HydrophobicContact CD1-CD2 4.48Å; L124-Y162 HydrophobicContact CD1-CE2 3.72Å; L124-Y162 HydrophobicContact CD2-CD2 3.6Å; L124-Y162 HydrophobicContact CD2-CE2 3.43Å; L124-Y162 VanDerWaalsContact CD2-CE2 3.43Å; L124-Y162 HydrophobicContact CG-CE2 4.26Å; L151-Y162 WeakPolarHBondContact O-CA 3.22Å; Y162-I164 HydrophobicContact CD2-CG2 4.15Å; Y162-I164 HydrophobicContact CE1-CD1 4.13Å; Y162-I164 HydrophobicContact CE1-CG2 3.84Å; Y162-I164 HydrophobicContact CE2-CG2 3.35Å; Y162-I164 VanDerWaalsContact OH-CG2 3.23Å; Y162-I164 WeakPolarHBondContact OH-CG2 3.13Å
163	S	96.9	Very high	96.4	Very high	18 Å²	18	34.7 Å²	34.7	13%	0.126	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	131.9	178.4	175.5	0	0	0	0	110.1	L98 K150 L151	L98-S163 CarbonylContact O-C 3.58Å; L98-S163 VanDerWaalsContact O-CA 3.31Å; L98-S163 WeakPolarHBondContact O-CA 3.46Å; K150-S163 CarbonylContact C-O 3.59Å; K150-S163 WeakPolarHBondContact CA-O 3.37Å; L151-S163 PolarHBondContact N-O 3.29Å; L151-S163 PolarHBondContact O-N 3.31Å
164	I	96.7	Very high	96.3	Very high	11 Å²	11	31.1 Å²	31.1	6%	0.056	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	143.9	179.4	56.7	178.6	0	0	0	111.9	F97 L98 F142 K150 Y162 L166	F97-I164 CarbonylContact C-O 3.57Å; F97-I164 WeakPolarHBondContact CA-O 3.44Å; L98-I164 HydrophobicContact CB-CG1 4.04Å; L98-I164 HydrophobicContact CD2-CD1 4.31Å; L98-I164 HydrophobicContact CD2-CG1 4.45Å; L98-I164 PolarHBondContact N-O 3.44Å; L98-I164 PolarHBondContact O-N 3.41Å; F142-I164 HydrophobicContact CE1-CD1 4.49Å; K150-I164 HydrophobicContact CB-CG2 4.07Å; K150-I164 HydrophobicContact CG-CG2 3.87Å; Y162-I164 HydrophobicContact CD2-CG2 4.15Å; Y162-I164 HydrophobicContact CE1-CD1 4.13Å; Y162-I164 HydrophobicContact CE1-CG2 3.84Å; Y162-I164 HydrophobicContact CE2-CG2 3.35Å; Y162-I164 VanDerWaalsContact OH-CG2 3.23Å; Y162-I164 WeakPolarHBondContact OH-CG2 3.13Å; I164-L166 HydrophobicContact CD1-CD1 3.92Å; I164-L166 HydrophobicContact CD1-CD2 4.2Å; I164-L166 HydrophobicContact CD1-CG 4.15Å; I164-L166 HydrophobicContact CG1-CD1 4.24Å; I164-L166 HydrophobicContact CG1-CG 4.2Å
165	R	97.1	Very high	96.3	Very high	73 Å²	73	34.5 Å²	34.5	28%	0.275	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	127.6	171.6	-171.6	-174.9	-169	-178.6	0	110.8	N95 I96 F97 H143 N149	N95-R165 PolarHBondContact ND2-NH2 3.38Å; N95-R165 PolarHBondContact OD1-NE 2.93Å; I96-R165 WeakPolarHBondContact O-CA 3.3Å; F97-R165 HydrophobicContact CD1-CB 3.75Å; F97-R165 HydrophobicContact CD1-CG 3.72Å; F97-R165 HydrophobicContact CE1-CB 3.84Å; F97-R165 HydrophobicContact CE1-CG 3.51Å; H143-R165 HydrophobicContact CB-CG 4.49Å; H143-R165 VanDerWaalsContact CD2-CG 3.49Å; H143-R165 WeakPolarHBondContact CD2-CG 3.25Å; N149-R165 HydrophobicContact CB-CB 3.86Å; N149-R165 PolarHBondContact O-N 3.27Å; N149-R165 VanDerWaalsContact O-N 3.12Å
166	L	96.8	Very high	96.2	Very high	8 Å²	8	33 Å²	33	4%	0.042	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	141.9	179.9	-61.6	174.3	0	0	0	110.9	N95 I96 L98 F134 F142 I164 L168	N95-L166 WeakPolarHBondContact CA-O 3.15Å; N95-L166 PolarHBondContact OD1-O 3.42Å; I96-L166 HydrophobicContact CG1-CB 4.11Å; I96-L166 PolarHBondContact N-O 3.26Å; I96-L166 PolarHBondContact O-N 2.92Å; L98-L166 HydrophobicContact CB-CD1 4.43Å; L98-L166 HydrophobicContact CD2-CD1 4.29Å; F134-L166 HydrophobicContact CE2-CD1 3.77Å; F134-L166 HydrophobicContact CZ-CD1 4.19Å; F142-L166 HydrophobicContact CD1-CD2 3.32Å; F142-L166 HydrophobicContact CE1-CD2 3.4Å; F142-L166 HydrophobicContact CG-CD2 4.18Å; F142-L166 HydrophobicContact CZ-CD2 4.28Å; I164-L166 HydrophobicContact CD1-CD1 3.92Å; I164-L166 HydrophobicContact CD1-CD2 4.2Å; I164-L166 HydrophobicContact CD1-CG 4.15Å; I164-L166 HydrophobicContact CG1-CD1 4.24Å; I164-L166 HydrophobicContact CG1-CG 4.2Å; L166-L168 HydrophobicContact CB-CD2 4.23Å; L166-L168 HydrophobicContact CB-CG 4.25Å; L166-L168 HydrophobicContact CD1-CD2 4.48Å
167	T	97.5	Very high	96.2	Very high	12 Å²	12	35.1 Å²	35.1	7%	0.074	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123	158.3	-56	0	0	0	0	108.8	R93 V94 A140 N141 H143	R93-T167 HydrophobicContact CG-CG2 3.89Å; V94-T167 WeakPolarHBondContact O-CA 3.19Å; A140-T167 CarbonylContact C-O 3.58Å; A140-T167 WeakPolarHBondContact CA-O 3.22Å; N141-T167 PolarHBondContact N-O 3.07Å; N141-T167 PolarHBondContact O-N 2.63Å; H143-T167 PolarHBondContact CE1-OG1 3.22Å; H143-T167 PolarHBondContact NE2-N 2.71Å; H143-T167 PolarHBondContact NE2-OG1 3.4Å
168	L	97.5	Very high	96.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	139.7	-178.9	-55.6	170.4	0	0	0	109.8	R93 V94 I96 F134 A140 L166 L170 M188	R93-L168 CarbonylContact C-O 3.6Å; R93-L168 VanDerWaalsContact CA-O 3.29Å; R93-L168 WeakPolarHBondContact CA-O 3.36Å; V94-L168 HydrophobicContact CG1-CB 3.95Å; V94-L168 HydrophobicContact CG1-CD1 4.42Å; V94-L168 PolarHBondContact N-O 2.82Å; V94-L168 PolarHBondContact O-N 2.88Å; I96-L168 HydrophobicContact CD1-CD1 3.61Å; I96-L168 HydrophobicContact CG1-CD1 4.18Å; F134-L168 HydrophobicContact CD1-CD1 3.83Å; F134-L168 HydrophobicContact CD2-CD1 3.98Å; F134-L168 HydrophobicContact CD2-CD2 3.77Å; F134-L168 HydrophobicContact CE1-CD1 3.48Å; F134-L168 VanDerWaalsContact CE1-CD1 3.48Å; F134-L168 HydrophobicContact CE2-CD1 3.67Å; F134-L168 HydrophobicContact CE2-CD2 3.81Å; F134-L168 HydrophobicContact CE2-CG 4.38Å; F134-L168 HydrophobicContact CG-CD1 4.07Å; F134-L168 HydrophobicContact CG-CD2 4.38Å; F134-L168 HydrophobicContact CZ-CD1 3.41Å; F134-L168 VanDerWaalsContact CZ-CD1 3.41Å; F134-L168 HydrophobicContact CZ-CD2 4.42Å; A140-L168 HydrophobicContact CB-CD2 3.52Å; L166-L168 HydrophobicContact CB-CD2 4.23Å; L166-L168 HydrophobicContact CB-CG 4.25Å; L166-L168 HydrophobicContact CD1-CD2 4.48Å; L168-L170 HydrophobicContact CB-CD1 4.37Å; L168-L170 HydrophobicContact CB-CD2 4.24Å; L168-L170 HydrophobicContact CB-CG 3.99Å; L168-L170 HydrophobicContact CD1-CD1 4.41Å; L168-M188 HydrophobicContact CD1-CE 4.42Å
169	T	97.8	Very high	96.2	Very high	40 Å²	40	31.6 Å²	31.6	25%	0.245	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	109.4	162.8	-58.5	0	0	0	0	107.1	D91 Y92 K138 G139	D91-T169 HydrophobicContact CB-CG2 4.03Å; Y92-T169 WeakPolarHBondContact O-CA 3.26Å; K138-T169 HydrophobicContact CB-CG2 4.42Å; K138-T169 PolarHBondContact N-O 3.08Å; G139-T169 PolarHBondContact N-O 3Å; G139-T169 PolarHBondContact O-N 2.8Å
170	L	97.8	Very high	96.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.1	-172.6	-65	172.7	0	0	0	110.4	D91 Y92 V94 F134 E137 L168 M188	D91-L170 WeakPolarHBondContact CA-O 3.27Å; D91-L170 WeakPolarHBondContact CB-O 3.45Å; Y92-L170 HydrophobicContact CD1-CB 4.15Å; Y92-L170 WeakPolarHBondContact CD1-O 3.34Å; Y92-L170 HydrophobicContact CE1-CB 3.55Å; Y92-L170 HydrophobicContact CE1-CD1 4.47Å; Y92-L170 HydrophobicContact CE2-CB 4.22Å; Y92-L170 HydrophobicContact CE2-CD1 3.98Å; Y92-L170 PolarHBondContact N-O 3.15Å; Y92-L170 PolarHBondContact O-N 3.19Å; Y92-L170 VanDerWaalsContact OH-CD1 3.28Å; Y92-L170 WeakPolarHBondContact OH-CD1 3.45Å; V94-L170 HydrophobicContact CG1-CD1 4Å; F134-L170 HydrophobicContact CB-CD2 4.17Å; F134-L170 HydrophobicContact CD1-CD2 4.46Å; F134-L170 HydrophobicContact CG-CD2 4.5Å; E137-L170 HydrophobicContact CB-CD2 4.11Å; L168-L170 HydrophobicContact CB-CD1 4.37Å; L168-L170 HydrophobicContact CB-CD2 4.24Å; L168-L170 HydrophobicContact CB-CG 3.99Å; L168-L170 HydrophobicContact CD1-CD1 4.41Å; L170-M188 HydrophobicContact CD1-CB 3.88Å; L170-M188 HydrophobicContact CD1-CE 3.56Å; L170-M188 HydrophobicContact CD1-CG 3.68Å; L170-M188 HydrophobicContact CD1-SD 4.4Å
171	S	97.3	Very high	95.9	Very high	40 Å²	40	28 Å²	28	28%	0.28	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	127.9	174.5	-170	0	0	0	0	110.3	N136	N136-S171 PolarHBondContact ND2-O 3.28Å; N136-S171 WeakPolarHBondContact O-CB 3.39Å; N136-S171 PolarHBondContact O-N 3.26Å
172	C	96.6	Very high	95.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.141	C	C	.	.			trans	-130.8	99.2	174.8	176.1	0	0	0	0	109	M90 Y92 M174 C186	M90-C172 CarbonylContact C-O 3.58Å; M90-C172 CarbonylContact O-C 3.5Å; M90-C172 PolarHBondContact O-N 3.36Å; Y92-C172 HydrophobicContact CD1-CB 3.57Å; Y92-C172 HydrophobicContact CE1-CB 3.81Å; C172-M174 HydrophobicContact CB-CE 4.49Å; C172-M174 WeakPolarHBondContact O-CG 3.29Å; C172-M174 PolarHBondContact O-N 3.06Å; C172-M174 VanDerWaalsContact O-N 3.13Å; C172-C186 HydrophobicContact CB-CB 3.73Å; C172-C186 WeakPolarHBondContact CB-SG 3.26Å; C172-C186 WeakPolarHBondContact SG-CA 3.26Å; C172-C186 WeakPolarHBondContact SG-CB 3.23Å; C172-C186 CovalentContact SG-SG 2.04Å; C172-C186 PolarHBondContact SG-SG 2.94Å
173	P	95.2	Very high	95.6	Very high	99 Å²	99	26.9 Å²	26.9	64%	0.643	15%	0.145	S	C	*	.			trans	-68.1	110.9	174.8	27.7	-32.1	0	0	0	109.5
174	M	94.6	Very high	95.4	Very high	10 Å²	10	26.3 Å²	26.3	5%	0.049	14%	0.141	C	C	.	.			trans	-92.9	142.5	-176.4	-63.4	173.5	-151.7	0	0	111.6	V85 E87 C172 L176 Q184	V85-M174 HydrophobicContact CG1-CE 3.63Å; V85-M174 HydrophobicContact CG1-SD 4.46Å; E87-M174 HydrophobicContact CB-SD 4.47Å; E87-M174 HydrophobicContact CG-SD 4.04Å; C172-M174 HydrophobicContact CB-CE 4.49Å; C172-M174 WeakPolarHBondContact O-CG 3.29Å; C172-M174 PolarHBondContact O-N 3.06Å; C172-M174 VanDerWaalsContact O-N 3.13Å; M174-L176 HydrophobicContact CB-CD2 4.23Å; M174-L176 HydrophobicContact CB-CG 4.47Å; M174-Q184 VanDerWaalsContact CA-OE1 3.26Å; M174-Q184 HydrophobicContact CB-CG 4.46Å; M174-Q184 VanDerWaalsContact CB-OE1 3.3Å; M174-Q184 HydrophobicContact CG-CG 4.23Å
175	D	93.9	Very high	95.4	Very high	73 Å²	73	27.6 Å²	27.6	39%	0.39	15%	0.149	S	C	.	.			trans	-99.4	110.5	169	-170	-4.1	0	0	0	109.8	K177 Q184	D175-K177 WeakPolarHBondContact OD1-CD 3.25Å; D175-K177 VanDerWaalsContact OD1-CG 3.23Å; D175-K177 WeakPolarHBondContact OD1-CG 3.4Å; D175-K177 PolarHBondContact OD1-N 2.96Å; D175-K177 IonicContact OD1-NZ 3.75Å; D175-K177 WeakPolarHBondContact OD2-CE 3.15Å; D175-K177 IonicContact OD2-NZ 2.93Å; D175-K177 PolarHBondContact OD2-NZ 2.91Å; D175-Q184 VanDerWaalsContact N-OE1 3.07Å; D175-Q184 PolarHBondContact O-NE2 2.86Å
176	L	94.8	Very high	95.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.136	C	C	.	.			trans	-99.3	10.5	-173	-60.1	177.6	0	0	0	113.3	M174 N178 F179 P309 V311 Y313 K315	M174-L176 HydrophobicContact CB-CD2 4.23Å; M174-L176 HydrophobicContact CB-CG 4.47Å; L176-N178 PolarHBondContact O-N 3.16Å; L176-F179 HydrophobicContact CB-CB 4.26Å; L176-F179 HydrophobicContact CD2-CD2 4.4Å; L176-F179 WeakPolarHBondContact O-CB 3.46Å; L176-F179 PolarHBondContact O-N 3.27Å; L176-P309 HydrophobicContact CD1-CG 3.52Å; L176-V311 HydrophobicContact CD1-CG1 4.46Å; L176-Y313 HydrophobicContact CB-CE2 4.3Å; L176-Y313 PolarHBondContact N-OH 2.92Å; L176-K315 HydrophobicContact CB-CD 4.15Å; L176-K315 WeakPolarHBondContact O-CG 3.42Å
177	K	93.6	Very high	95.3	Very high	106 Å²	106	25.1 Å²	25.1	46%	0.461	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-43.5	-179.4	-76	168.7	-163.7	140.7	0	112.7	D175 Y313 K315 A316	D175-K177 WeakPolarHBondContact OD1-CD 3.25Å; D175-K177 VanDerWaalsContact OD1-CG 3.23Å; D175-K177 WeakPolarHBondContact OD1-CG 3.4Å; D175-K177 PolarHBondContact OD1-N 2.96Å; D175-K177 IonicContact OD1-NZ 3.75Å; D175-K177 WeakPolarHBondContact OD2-CE 3.15Å; D175-K177 IonicContact OD2-NZ 2.93Å; D175-K177 PolarHBondContact OD2-NZ 2.91Å; K177-Y313 HydrophobicContact CG-CD2 3.83Å; K177-Y313 HydrophobicContact CG-CE2 3.88Å; K177-Y313 HydrophobicContact CG-CG 4.48Å; K177-K315 CarbonylContact O-C 3.34Å; K177-K315 WeakPolarHBondContact O-CA 3.38Å; K177-A316 PolarHBondContact O-N 2.89Å
178	N	94.3	Very high	95.3	Very high	32 Å²	32	24.6 Å²	24.6	17%	0.171	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	9.9	-176.5	-63.9	-26.5	0	0	0	113.4	L176 M181 D182 I444 D448	L176-N178 PolarHBondContact O-N 3.16Å; N178-M181 CarbonylContact O-C 3.5Å; N178-M181 WeakPolarHBondContact O-CA 3.48Å; N178-M181 PolarHBondContact O-N 3.48Å; N178-D182 HydrophobicContact CB-CB 4.49Å; N178-I444 WeakPolarHBondContact ND2-CG2 3.41Å; N178-D448 PolarHBondContact ND2-OD2 2.65Å
179	F	94.6	Very high	95.3	Very high	1 Å²	1	26 Å²	26	0%	0.004	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	128.2	-176.6	176.2	-88.5	0	0	0	112.1	L176 Y257 L308 K315 A316 I317	L176-F179 HydrophobicContact CB-CB 4.26Å; L176-F179 HydrophobicContact CD2-CD2 4.4Å; L176-F179 WeakPolarHBondContact O-CB 3.46Å; L176-F179 PolarHBondContact O-N 3.27Å; F179-Y257 HydrophobicContact CE1-CD1 4.45Å; F179-Y257 HydrophobicContact CE1-CE1 4.16Å; F179-Y257 AromaticContact CE2-CE1 4Å; F179-Y257 HydrophobicContact CE2-CE1 4Å; F179-Y257 AromaticContact CE2-CZ 3.9Å; F179-Y257 HydrophobicContact CZ-CD1 4.03Å; F179-Y257 AromaticContact CZ-CE1 3.34Å; F179-Y257 HydrophobicContact CZ-CE1 3.34Å; F179-Y257 AromaticContact CZ-CZ 3.74Å; F179-L308 HydrophobicContact CD1-CD1 3.87Å; F179-L308 HydrophobicContact CD2-CD2 4.19Å; F179-L308 HydrophobicContact CE1-CD1 3.59Å; F179-L308 HydrophobicContact CE1-CD2 4.18Å; F179-L308 HydrophobicContact CE1-CG 4.4Å; F179-L308 HydrophobicContact CE2-CD2 3.7Å; F179-L308 HydrophobicContact CG-CD1 4.47Å; F179-L308 HydrophobicContact CZ-CD1 3.95Å; F179-L308 HydrophobicContact CZ-CD2 3.67Å; F179-L308 HydrophobicContact CZ-CG 4.27Å; F179-K315 HydrophobicContact CB-CD 4.46Å; F179-A316 WeakPolarHBondContact O-CB 3.35Å; F179-I317 HydrophobicContact CD1-CB 4.13Å; F179-I317 HydrophobicContact CD1-CG2 3.67Å; F179-I317 HydrophobicContact CE1-CB 4.47Å; F179-I317 HydrophobicContact CE1-CG2 4.12Å; F179-I317 PolarHBondContact O-N 3.09Å; F179-I317 VanDerWaalsContact O-N 3.14Å
180	P	93.9	Very high	95.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	cis	-98.4	10.9	8.5	34.5	-29.7	0	0	0	115.7	D182 R252 M254 Y257 Y262	P180-D182 VanDerWaalsContact C-N 3.26Å; P180-D182 VanDerWaalsContact C-OD1 3.23Å; P180-D182 PolarHBondContact O-N 2.78Å; P180-D182 VanDerWaalsContact O-OD1 3.11Å; P180-R252 WeakPolarHBondContact O-CD 3.26Å; P180-M254 VanDerWaalsContact C-SD 3.51Å; P180-M254 HydrophobicContact CB-SD 3.93Å; P180-M254 HydrophobicContact CG-CE 3.9Å; P180-M254 HydrophobicContact CG-SD 3.73Å; P180-Y257 HydrophobicContact CB-CD1 4.06Å; P180-Y257 HydrophobicContact CB-CD2 3.57Å; P180-Y257 HydrophobicContact CB-CE1 4.37Å; P180-Y257 HydrophobicContact CB-CE2 3.9Å; P180-Y257 HydrophobicContact CB-CG 3.64Å; P180-Y257 HydrophobicContact CG-CD1 4.31Å; P180-Y257 HydrophobicContact CG-CD2 4.14Å; P180-Y257 HydrophobicContact CG-CG 3.8Å; P180-Y262 HydrophobicContact CG-CE2 4.09Å
181	M	93.1	Very high	95.3	Very high	8 Å²	8	24.1 Å²	24.1	4%	0.039	13%	0.134	C	C	.	.	S	Bend	trans	-92.3	47.7	179.2	-66.6	173	-80.5	0	0	111.6	N178 M254 Y437 W438 Y441	N178-M181 CarbonylContact O-C 3.5Å; N178-M181 WeakPolarHBondContact O-CA 3.48Å; N178-M181 PolarHBondContact O-N 3.48Å; M181-M254 HydrophobicContact CB-SD 4.33Å; M181-M254 HydrophobicContact CG-CE 3.35Å; M181-M254 HydrophobicContact CG-CG 4.31Å; M181-M254 HydrophobicContact CG-SD 3.41Å; M181-M254 WeakPolarHBondContact CG-SD 3.4Å; M181-M254 HydrophobicContact SD-CE 3.99Å; M181-Y437 HydrophobicContact CE-CE1 3.93Å; M181-W438 HydrophobicContact CE-CZ3 4.27Å; M181-W438 HydrophobicContact SD-CE3 4.09Å; M181-W438 HydrophobicContact SD-CZ3 3.78Å; M181-Y441 HydrophobicContact CE-CD1 4.23Å; M181-Y441 HydrophobicContact CE-CD2 3.93Å; M181-Y441 HydrophobicContact CE-CG 3.55Å; M181-Y441 VanDerWaalsContact SD-CB 3.59Å; M181-Y441 HydrophobicContact SD-CG 4.48Å
182	D	93.5	Very high	95.3	Very high	5 Å²	5	22.3 Å²	22.3	3%	0.027	12%	0.121	C	C	.	.			trans	-108.3	152.9	-172.7	56.4	-35.3	0	0	0	112.9	N178 P180 Q184 R252	N178-D182 HydrophobicContact CB-CB 4.49Å; P180-D182 VanDerWaalsContact C-N 3.26Å; P180-D182 VanDerWaalsContact C-OD1 3.23Å; P180-D182 PolarHBondContact O-N 2.78Å; P180-D182 VanDerWaalsContact O-OD1 3.11Å; D182-Q184 PolarHBondContact OD2-NE2 2.88Å; D182-R252 PolarHBondContact O-N 2.99Å; D182-R252 WeakPolarHBondContact OD1-CB 3.46Å; D182-R252 VanDerWaalsContact OD1-CD 3.27Å; D182-R252 WeakPolarHBondContact OD1-CD 3.41Å; D182-R252 IonicContact OD1-CZ 3.87Å; D182-R252 IonicContact OD1-NE 3.69Å; D182-R252 PolarHBondContact OD1-NE 3.33Å; D182-R252 IonicContact OD1-NH2 3.52Å; D182-R252 IonicContact OD2-CZ 2.67Å; D182-R252 IonicContact OD2-NE 2.83Å; D182-R252 PolarHBondContact OD2-NE 2.9Å; D182-R252 IonicContact OD2-NH2 3.56Å; D182-R252 PolarHBondContact OD2-NH2 3.26Å; D182-R252 VanDerWaalsContact OD2-NH2 3.1Å
183	V	93.6	Very high	95.2	Very high	28 Å²	28	29.8 Å²	29.8	17%	0.17	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	114.8	167.4	-179	0	0	0	0	107.7	H249 L250 E251 V449	V183-H249 HydrophobicContact CG1-CB 4.46Å; V183-L250 WeakPolarHBondContact CA-O 3.49Å; V183-E251 HydrophobicContact CG2-CG 4.33Å; V183-V449 HydrophobicContact CG2-CG2 3.91Å
184	Q	94.5	Very high	95.2	Very high	7 Å²	7	27.5 Å²	27.5	3%	0.033	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	143.9	179.5	-60.2	-56.3	-28	0	0	110.5	M174 D175 D182 F221 H249 L250	M174-Q184 VanDerWaalsContact CA-OE1 3.26Å; M174-Q184 HydrophobicContact CB-CG 4.46Å; M174-Q184 VanDerWaalsContact CB-OE1 3.3Å; M174-Q184 HydrophobicContact CG-CG 4.23Å; D175-Q184 VanDerWaalsContact N-OE1 3.07Å; D175-Q184 PolarHBondContact O-NE2 2.86Å; D182-Q184 PolarHBondContact OD2-NE2 2.88Å; Q184-F221 HydrophobicContact CG-CE1 4.45Å; Q184-H249 CarbonylContact O-C 3.5Å; Q184-H249 WeakPolarHBondContact O-CA 3.41Å; Q184-L250 HydrophobicContact CB-CB 4.35Å; Q184-L250 PolarHBondContact N-O 2.98Å; Q184-L250 PolarHBondContact O-N 2.86Å
185	T	94.6	Very high	95.2	Very high	37 Å²	37	29.7 Å²	29.7	23%	0.227	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	105.2	174.6	-56.6	0	0	0	0	108.2	K247 F248 H249 K452	T185-K247 HydrophobicContact CG2-CB 3.84Å; T185-K247 HydrophobicContact CG2-CD 4.04Å; T185-F248 CarbonylContact C-O 3.56Å; T185-F248 WeakPolarHBondContact CA-O 3.2Å; T185-H249 PolarHBondContact OG1-ND1 3.43Å; T185-K452 PolarHBondContact OG1-NZ 3.24Å; T185-K452 VanDerWaalsContact OG1-NZ 3.15Å
186	C	96.1	Very high	95.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	129.5	-179.9	-66.8	0	0	0	0	110.5	Y92 C172 F248 L250	Y92-C186 HydrophobicContact CD1-CB 3.99Å; Y92-C186 HydrophobicContact CE1-CB 3.64Å; C172-C186 HydrophobicContact CB-CB 3.73Å; C172-C186 WeakPolarHBondContact CB-SG 3.26Å; C172-C186 WeakPolarHBondContact SG-CA 3.26Å; C172-C186 WeakPolarHBondContact SG-CB 3.23Å; C172-C186 CovalentContact SG-SG 2.04Å; C172-C186 PolarHBondContact SG-SG 2.94Å; C186-F248 PolarHBondContact N-O 3.23Å; C186-F248 WeakPolarHBondContact O-CD2 3.4Å; C186-F248 PolarHBondContact O-N 2.68Å; C186-L250 HydrophobicContact CB-CD1 4.39Å
187	T	96.6	Very high	95.5	Very high	30 Å²	30	30.4 Å²	30.4	18%	0.184	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	145.6	-175.7	59.1	0	0	0	0	111.5	Y92 N136 V246 K247	Y92-T187 PolarHBondContact OH-O 2.8Å; N136-T187 PolarHBondContact ND2-O 3.35Å; T187-V246 CarbonylContact C-O 3.53Å; T187-V246 WeakPolarHBondContact CA-O 3.45Å; T187-K247 HydrophobicContact CG2-CB 4.36Å; T187-K247 HydrophobicContact CG2-CD 4.14Å; T187-K247 HydrophobicContact CG2-CG 3.86Å
188	M	97.4	Very high	95.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121.1	165.7	177	-170.6	-68	0	0	108	I77 V94 I96 F134 L168 L170 L190 E245 V246 F248	I77-M188 HydrophobicContact CD1-SD 3.72Å; V94-M188 HydrophobicContact CG1-CE 3.66Å; I96-M188 HydrophobicContact CD1-CE 4.43Å; I96-M188 HydrophobicContact CD1-SD 4.36Å; I96-M188 HydrophobicContact CG2-CE 4.17Å; F134-M188 HydrophobicContact CD1-CG 3.94Å; F134-M188 HydrophobicContact CD1-SD 4.5Å; F134-M188 HydrophobicContact CE1-CG 3.95Å; F134-M188 HydrophobicContact CE1-SD 3.92Å; L168-M188 HydrophobicContact CD1-CE 4.42Å; L170-M188 HydrophobicContact CD1-CB 3.88Å; L170-M188 HydrophobicContact CD1-CE 3.56Å; L170-M188 HydrophobicContact CD1-CG 3.68Å; L170-M188 HydrophobicContact CD1-SD 4.4Å; M188-L190 HydrophobicContact CG-CD1 3.85Å; M188-L190 HydrophobicContact SD-CD1 4.15Å; M188-E245 VanDerWaalsContact O-CA 3.25Å; M188-E245 WeakPolarHBondContact O-CA 3.36Å; M188-V246 HydrophobicContact CB-CG1 3.84Å; M188-V246 PolarHBondContact N-O 3.23Å; M188-V246 PolarHBondContact O-N 3.36Å; M188-V246 HydrophobicContact SD-CG1 4.41Å; M188-F248 HydrophobicContact CB-CE2 3.99Å; M188-F248 HydrophobicContact CE-CE2 4.17Å; M188-F248 HydrophobicContact CE-CZ 4.47Å
189	Q	97.5	Very high	95.7	Very high	30 Å²	30	32.4 Å²	32.4	14%	0.14	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.2	-175.8	-62.5	-173.8	-24	0	0	109.8	F134 A135 N136 E245	F134-Q189 CarbonylContact C-O 3.58Å; F134-Q189 VanDerWaalsContact CA-O 3.26Å; F134-Q189 WeakPolarHBondContact CA-O 3.32Å; A135-Q189 HydrophobicContact CB-CB 3.99Å; A135-Q189 PolarHBondContact N-O 2.92Å; N136-Q189 PolarHBondContact OD1-N 2.91Å; Q189-E245 HydrophobicContact CG-CB 3.95Å; Q189-E245 PolarHBondContact NE2-OE2 2.99Å
190	L	97.8	Very high	95.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	122.3	178.9	-63.1	77.2	0	0	0	107.8	I77 L98 L132 F134 M188 W204 C243 I244	I77-L190 HydrophobicContact CD1-CD1 4.09Å; I77-L190 HydrophobicContact CD1-CD2 4.05Å; L98-L190 HydrophobicContact CD1-CD2 3.72Å; L132-L190 HydrophobicContact CD1-CB 4.17Å; L132-L190 HydrophobicContact CD1-CD2 3.85Å; L132-L190 HydrophobicContact CD2-CB 4.15Å; L132-L190 HydrophobicContact CD2-CD2 4.02Å; L132-L190 HydrophobicContact CD2-CG 4.19Å; L132-L190 HydrophobicContact CG-CB 4.23Å; L132-L190 HydrophobicContact CG-CD2 4.45Å; F134-L190 HydrophobicContact CD1-CD1 4.37Å; F134-L190 HydrophobicContact CD1-CG 4.02Å; F134-L190 HydrophobicContact CE1-CD1 4.03Å; F134-L190 HydrophobicContact CE1-CD2 4.04Å; F134-L190 HydrophobicContact CE1-CG 3.64Å; F134-L190 HydrophobicContact CZ-CD2 4.37Å; F134-L190 HydrophobicContact CZ-CG 4.35Å; M188-L190 HydrophobicContact CG-CD1 3.85Å; M188-L190 HydrophobicContact SD-CD1 4.15Å; L190-W204 HydrophobicContact CD1-CH2 4.15Å; L190-C243 VanDerWaalsContact O-CA 3.27Å; L190-C243 WeakPolarHBondContact O-CA 3.49Å; L190-I244 HydrophobicContact CB-CG1 3.95Å; L190-I244 PolarHBondContact N-O 3.42Å; L190-I244 PolarHBondContact O-N 2.78Å
191	E	97.2	Very high	96.1	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	154.5	-171.4	-174.8	173.8	-171.8	0	0	110.9	L132 F133 A135 K234 Y236 F241 T242 C243	L132-E191 WeakPolarHBondContact CA-O 3.38Å; F133-E191 HydrophobicContact CD1-CB 4.26Å; F133-E191 WeakPolarHBondContact CD1-O 3.22Å; F133-E191 HydrophobicContact CE1-CB 3.64Å; F133-E191 HydrophobicContact CE1-CG 3.67Å; F133-E191 HydrophobicContact CZ-CB 3.85Å; F133-E191 HydrophobicContact CZ-CG 3.9Å; F133-E191 PolarHBondContact N-O 3.12Å; F133-E191 PolarHBondContact O-N 3.21Å; A135-E191 HydrophobicContact CB-CB 4.46Å; E191-K234 VanDerWaalsContact OE1-CB 3.23Å; E191-K234 WeakPolarHBondContact OE1-CB 3.21Å; E191-K234 WeakPolarHBondContact OE1-CG 3.33Å; E191-Y236 WeakPolarHBondContact OE1-CE2 3.49Å; E191-Y236 PolarHBondContact OE1-OH 2.88Å; E191-Y236 PolarHBondContact OE2-OH 2.88Å; E191-F241 HydrophobicContact CG-CB 4.41Å; E191-T242 WeakPolarHBondContact CA-O 3.34Å; E191-T242 WeakPolarHBondContact CG-O 3.3Å; E191-C243 HydrophobicContact CB-CB 4.34Å; E191-C243 HydrophobicContact CG-CB 4.29Å
192	S	97.2	Very high	96.3	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.007	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	135.4	172.6	172.9	0	0	0	0	109.7	D131 Y195 F241 T242	D131-S192 PolarHBondContact OD1-OG 2.83Å; S192-Y195 PolarHBondContact OG-N 3.1Å; S192-Y195 PolarHBondContact OG-O 3.41Å; S192-F241 WeakPolarHBondContact O-CD1 3.31Å; S192-T242 PolarHBondContact N-O 3.47Å
193	F	95.2	Very high	96.5	Very high	157 Å²	157	37 Å²	37	69%	0.689	20%	0.198	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	-47.8	-174	-170	-93.5	0	0	0	113.3	D131 F133 F241	D131-F193 PolarHBondContact O-N 2.56Å; F133-F193 HydrophobicContact CD1-CB 3.69Å; F133-F193 HydrophobicContact CD1-CD2 4.07Å; F133-F193 HydrophobicContact CD1-CG 4.4Å; F133-F193 HydrophobicContact CE1-CB 3.91Å; F133-F193 AromaticContact CE1-CD2 3.97Å; F133-F193 HydrophobicContact CE1-CD2 3.97Å; F133-F193 HydrophobicContact CE1-CG 4.45Å; F133-F193 HydrophobicContact CG-CD2 4.45Å; F133-F193 HydrophobicContact CZ-CD2 4.26Å; F193-F241 WeakPolarHBondContact O-CE1 3.24Å
194	G	94.4	Very high	96.7	Very high	51 Å²	51	36.7 Å²	36.7	53%	0.526	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-25.2	-170.7	0	0	0	0	0	114.5	D131	D131-G194 VanDerWaalsContact OD2-CA 3.29Å; D131-G194 WeakPolarHBondContact OD2-CA 3.41Å; D131-G194 PolarHBondContact OD2-N 3.23Å
195	Y	96.5	Very high	96.7	Very high	56 Å²	56	38.8 Å²	38.8	22%	0.22	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	129.9	-179.6	-63.8	-76.3	0	0	0	112.4	R63 W128 D131 S192 D199 L200 F241	R63-Y195 HydrophobicContact CB-CE1 4.24Å; R63-Y195 HydrophobicContact CG-CE1 4.45Å; W128-Y195 AromaticContact CZ2-CE2 3.99Å; W128-Y195 HydrophobicContact CZ2-CE2 3.99Å; W128-Y195 AromaticContact NE1-CZ 3.77Å; W128-Y195 PolarHBondContact NE1-OH 3.1Å; W128-Y195 VanDerWaalsContact NE1-OH 3.07Å; D131-Y195 WeakPolarHBondContact OD1-CD2 3.49Å; D131-Y195 WeakPolarHBondContact OD2-CD2 3.43Å; D131-Y195 PolarHBondContact OD2-N 2.89Å; S192-Y195 PolarHBondContact OG-N 3.1Å; S192-Y195 PolarHBondContact OG-O 3.41Å; Y195-D199 HydrophobicContact CD1-CB 3.92Å; Y195-D199 HydrophobicContact CG-CB 4.48Å; Y195-L200 HydrophobicContact CD2-CD1 3.88Å; Y195-L200 HydrophobicContact CG-CB 4.26Å; Y195-L200 HydrophobicContact CG-CD1 4.25Å; Y195-F241 WeakPolarHBondContact O-CD1 3.24Å
196	T	97.2	Very high	96.6	Very high	33 Å²	33	42.5 Å²	42.5	20%	0.202	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	167.7	173.5	70.9	0	0	0	0	111.4	N198 D199 L200 K240 F241	T196-N198 PolarHBondContact O-N 3.19Å; T196-N198 PolarHBondContact OG1-N 3.41Å; T196-D199 PolarHBondContact O-N 3.37Å; T196-L200 PolarHBondContact O-N 2.99Å; T196-K240 CarbonylContact C-O 3.45Å; T196-K240 WeakPolarHBondContact CA-O 3.17Å; T196-K240 WeakPolarHBondContact CB-O 3.25Å; T196-F241 HydrophobicContact CG2-CE1 4.38Å; T196-F241 HydrophobicContact CG2-CZ 4.34Å
197	M	96.3	Very high	96.4	Very high	55 Å²	55	49.3 Å²	49.3	27%	0.271	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-22	174	-74.5	-72.4	-63.7	0	0	114.5	D199 I201 T233 K240 T242	M197-D199 VanDerWaalsContact C-N 3.3Å; M197-I201 HydrophobicContact CE-CG1 4.43Å; M197-T233 HydrophobicContact CG-CG2 4.32Å; M197-T233 HydrophobicContact SD-CG2 4.35Å; M197-K240 HydrophobicContact CG-CB 4.16Å; M197-K240 PolarHBondContact N-O 3.1Å; M197-T242 WeakPolarHBondContact SD-CA 3.47Å; M197-T242 WeakPolarHBondContact SD-CB 3.44Å
198	N	96.1	Very high	96.1	Very high	129 Å²	129	49.7 Å²	49.7	69%	0.69	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-19.6	177.5	-63	-27.7	0	0	0	112.7	T196	T196-N198 PolarHBondContact O-N 3.19Å; T196-N198 PolarHBondContact OG1-N 3.41Å
199	D	96.8	Very high	96	Very high	52 Å²	52	50.5 Å²	50.5	28%	0.278	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	-31.3	-174.7	-71.1	-54.4	0	0	0	113	R63 P70 V71 Y195 T196 M197	R63-D199 IonicContact CZ-OD1 3.68Å; R63-D199 IonicContact NE-OD1 3.1Å; R63-D199 PolarHBondContact NE-OD1 3.37Å; R63-D199 IonicContact NH2-OD1 2.95Å; R63-D199 PolarHBondContact NH2-OD1 3.48Å; P70-D199 CarbonylContact C-O 3.59Å; P70-D199 WeakPolarHBondContact CA-O 3.18Å; V71-D199 PolarHBondContact N-O 3.3Å; Y195-D199 HydrophobicContact CD1-CB 3.92Å; Y195-D199 HydrophobicContact CG-CB 4.48Å; T196-D199 PolarHBondContact O-N 3.37Å; M197-D199 VanDerWaalsContact C-N 3.3Å
200	L	97.7	Very high	95.9	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	132.1	-175.1	-165.5	152.7	0	0	0	111	V73 W128 P130 Y195 T196 F202 T242	V73-L200 HydrophobicContact CG2-CD1 4.5Å; V73-L200 HydrophobicContact CG2-CD2 4.38Å; V73-L200 HydrophobicContact CG2-CG 4.27Å; W128-L200 HydrophobicContact CH2-CD1 3.9Å; W128-L200 HydrophobicContact CZ2-CD1 4.08Å; P130-L200 HydrophobicContact CB-CD1 3.95Å; Y195-L200 HydrophobicContact CD2-CD1 3.88Å; Y195-L200 HydrophobicContact CG-CB 4.26Å; Y195-L200 HydrophobicContact CG-CD1 4.25Å; T196-L200 PolarHBondContact O-N 2.99Å; L200-F202 HydrophobicContact CD2-CD1 3.85Å; L200-F202 HydrophobicContact CD2-CD2 4.37Å; L200-F202 HydrophobicContact CD2-CE1 3.51Å; L200-F202 HydrophobicContact CD2-CE2 4.09Å; L200-F202 HydrophobicContact CD2-CG 4.22Å; L200-F202 HydrophobicContact CD2-CZ 3.62Å; L200-T242 HydrophobicContact CD2-CG2 3.68Å; L200-T242 WeakPolarHBondContact O-CG2 3.39Å
201	I	98	Very high	95.7	Very high	38 Å²	38	53.3 Å²	53.3	20%	0.195	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.5	178.1	-60.8	174.8	0	0	0	108.9	P70 V71 V73 M197 E203	P70-I201 HydrophobicContact CB-CD1 3.96Å; P70-I201 HydrophobicContact CB-CG1 3.98Å; P70-I201 HydrophobicContact CG-CD1 3.61Å; P70-I201 HydrophobicContact CG-CG1 4.22Å; V71-I201 PolarHBondContact O-N 2.83Å; V73-I201 PolarHBondContact N-O 2.84Å; M197-I201 HydrophobicContact CE-CG1 4.43Å; I201-E203 HydrophobicContact CG2-CG 4.13Å
202	F	98.2	Very high	95.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	134.6	172.5	-70.8	-43.8	0	0	0	110.8	V73 P130 L132 L200 T242 I244	V73-F202 HydrophobicContact CB-CD1 3.72Å; V73-F202 HydrophobicContact CB-CE1 3.86Å; V73-F202 HydrophobicContact CG1-CD1 3.98Å; V73-F202 HydrophobicContact CG1-CE1 3.88Å; V73-F202 HydrophobicContact CG2-CE1 4.3Å; V73-F202 WeakPolarHBondContact O-CA 3.32Å; P130-F202 HydrophobicContact CB-CE1 4.38Å; L132-F202 HydrophobicContact CB-CE2 4.37Å; L132-F202 HydrophobicContact CB-CZ 3.81Å; L132-F202 HydrophobicContact CD1-CE1 4.07Å; L132-F202 HydrophobicContact CD1-CE2 4.21Å; L132-F202 HydrophobicContact CD1-CZ 3.89Å; L132-F202 HydrophobicContact CG-CE2 4.16Å; L132-F202 HydrophobicContact CG-CZ 3.98Å; L200-F202 HydrophobicContact CD2-CD1 3.85Å; L200-F202 HydrophobicContact CD2-CD2 4.37Å; L200-F202 HydrophobicContact CD2-CE1 3.51Å; L200-F202 HydrophobicContact CD2-CE2 4.09Å; L200-F202 HydrophobicContact CD2-CG 4.22Å; L200-F202 HydrophobicContact CD2-CZ 3.62Å; F202-T242 HydrophobicContact CB-CG2 4.25Å; F202-T242 HydrophobicContact CD2-CG2 3.49Å; F202-T242 VanDerWaalsContact CD2-CG2 3.49Å; F202-T242 HydrophobicContact CE2-CG2 3.96Å; F202-T242 HydrophobicContact CG-CG2 3.91Å; F202-T242 PolarHBondContact N-OG1 3.26Å; F202-I244 HydrophobicContact CB-CD1 4.04Å; F202-I244 HydrophobicContact CB-CG1 4.1Å; F202-I244 HydrophobicContact CB-CG2 3.93Å; F202-I244 WeakPolarHBondContact O-CG2 3.33Å
203	E	97.4	Very high	95.5	Very high	71 Å²	71	56.4 Å²	56.4	33%	0.332	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	146.7	177.2	-64.9	-176.7	156.6	0	0	110.3	V73 T74 C75 I201	V73-E203 PolarHBondContact O-N 2.93Å; T74-E203 CarbonylContact C-O 3.59Å; T74-E203 VanDerWaalsContact CA-O 3.3Å; T74-E203 WeakPolarHBondContact CA-O 3.37Å; T74-E203 HydrophobicContact CG2-CB 4.33Å; C75-E203 PolarHBondContact N-O 3.05Å; I201-E203 HydrophobicContact CG2-CG 4.13Å
204	W	97.3	Very high	95.3	Very high	23 Å²	23	58.4 Å²	58.4	9%	0.087	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	142.5	170.3	-72.2	115.3	0	0	0	110.4	C75 I77 L190 S206 P209 V210 L229 I244 E245 V246	C75-W204 HydrophobicContact CB-CE3 4.47Å; C75-W204 HydrophobicContact CB-CZ3 4.49Å; I77-W204 HydrophobicContact CD1-CH2 3.59Å; I77-W204 HydrophobicContact CD1-CZ3 3.74Å; I77-W204 HydrophobicContact CG1-CH2 4.36Å; I77-W204 HydrophobicContact CG1-CZ3 4Å; L190-W204 HydrophobicContact CD1-CH2 4.15Å; W204-S206 PolarHBondContact O-N 3.35Å; W204-P209 HydrophobicContact CB-CB 3.96Å; W204-P209 HydrophobicContact CD2-CB 4.31Å; W204-P209 HydrophobicContact CE3-CB 3.91Å; W204-P209 HydrophobicContact CG-CB 4.38Å; W204-V210 HydrophobicContact CZ3-CG2 4.34Å; W204-L229 HydrophobicContact CD2-CD2 4.21Å; W204-L229 HydrophobicContact CG-CD2 4.47Å; W204-L229 HydrophobicContact CZ2-CD2 4.47Å; W204-I244 HydrophobicContact CD2-CD1 3.97Å; W204-I244 HydrophobicContact CE3-CD1 4.16Å; W204-I244 HydrophobicContact CH2-CD1 4.11Å; W204-I244 HydrophobicContact CZ2-CB 4.09Å; W204-I244 HydrophobicContact CZ2-CD1 3.91Å; W204-I244 HydrophobicContact CZ2-CG1 4Å; W204-I244 HydrophobicContact CZ3-CD1 4.24Å; W204-E245 PolarHBondContact NE1-O 3.42Å; W204-V246 HydrophobicContact CH2-CB 4.38Å; W204-V246 HydrophobicContact CH2-CG1 4.28Å; W204-V246 HydrophobicContact CZ2-CB 4.15Å; W204-V246 HydrophobicContact CZ2-CG1 4.4Å
205	L	95.6	Very high	95.1	Very high	50 Å²	50	59.3 Å²	59.3	26%	0.262	34%	0.341	S	S	.	.			trans	-59.1	130.7	168.4	-172.5	68.7	0	0	0	109.8	C75 N76 D207 P209	C75-L205 PolarHBondContact O-N 2.95Å; N76-L205 HydrophobicContact CB-CB 4.23Å; N76-L205 HydrophobicContact CB-CD2 4.07Å; L205-D207 WeakPolarHBondContact CD2-O 3.21Å; L205-D207 PolarHBondContact O-N 3.44Å; L205-P209 VanDerWaalsContact O-CB 3.28Å; L205-P209 WeakPolarHBondContact O-CB 3.23Å; L205-P209 WeakPolarHBondContact O-CD 3.2Å
206	S	92	Very high	94.9	Very high	115 Å²	115	59 Å²	59	80%	0.804	34%	0.343	S	S	*	.	S	Bend	trans	-59.9	-43.7	-174.3	-49.9	0	0	0	0	112.9	W204	W204-S206 PolarHBondContact O-N 3.35Å
207	D	92.1	Very high	94.6	Very high	143 Å²	143	63.1 Å²	63.1	77%	0.765	37%	0.368	S	S	*	.	S	Bend	trans	-103.8	118.7	179.5	-68.8	-33.7	0	0	0	111	L205	L205-D207 WeakPolarHBondContact CD2-O 3.21Å; L205-D207 PolarHBondContact O-N 3.44Å
208	G	90.8	Very high	94.4	Very high	38 Å²	38	61.2 Å²	61.2	39%	0.392	36%	0.359	S	S	.	.			trans	58.9	54.1	177.6	0	0	0	0	0	114.7	N76 V210 Q211	N76-G208 PolarHBondContact ND2-O 3.17Å; G208-V210 VanDerWaalsContact C-N 3.25Å; G208-V210 PolarHBondContact O-N 2.75Å; G208-Q211 PolarHBondContact O-NE2 3.26Å; G208-Q211 VanDerWaalsContact O-NE2 3.15Å
209	P	94	Very high	94.2	Very high	18 Å²	18	60.6 Å²	60.6	12%	0.117	36%	0.362	C	S	.	.	S	Bend	trans	-61.2	-32.2	-179.9	21.2	-30.9	0	0	0	113.5	N76 I77 W204 L205 L229	N76-P209 CarbonylContact C-O 3.49Å; N76-P209 WeakPolarHBondContact CA-O 3.44Å; N76-P209 PolarHBondContact ND2-O 2.95Å; I77-P209 PolarHBondContact N-O 2.96Å; W204-P209 HydrophobicContact CB-CB 3.96Å; W204-P209 HydrophobicContact CD2-CB 4.31Å; W204-P209 HydrophobicContact CE3-CB 3.91Å; W204-P209 HydrophobicContact CG-CB 4.38Å; L205-P209 VanDerWaalsContact O-CB 3.28Å; L205-P209 WeakPolarHBondContact O-CB 3.23Å; L205-P209 WeakPolarHBondContact O-CD 3.2Å; P209-L229 HydrophobicContact CB-CD1 4.08Å; P209-L229 HydrophobicContact CG-CD1 3.26Å; P209-L229 HydrophobicContact CG-CD2 4.4Å; P209-L229 HydrophobicContact CG-CG 4.44Å
210	V	95.8	Very high	93.9	Very high	18 Å²	18	62.1 Å²	62.1	11%	0.109	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	114	178.2	-177.4	0	0	0	0	109.1	I77 I79 W204 G208 L229 V246 F248	I77-V210 WeakPolarHBondContact O-CA 3.49Å; I79-V210 HydrophobicContact CD1-CG1 4.07Å; W204-V210 HydrophobicContact CZ3-CG2 4.34Å; G208-V210 VanDerWaalsContact C-N 3.25Å; G208-V210 PolarHBondContact O-N 2.75Å; V210-L229 HydrophobicContact CG2-CD2 3.87Å; V210-V246 HydrophobicContact CG2-CB 4.4Å; V210-V246 HydrophobicContact CG2-CG2 4.06Å; V210-F248 HydrophobicContact CG1-CE1 4.23Å
211	Q	95.1	Very high	93.8	Very high	71 Å²	71	62.3 Å²	62.3	33%	0.332	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	146.9	178.5	-66.6	164.4	25.1	0	0	109.1	N76 I77 F78 I79 G208	N76-Q211 PolarHBondContact ND2-NE2 2.82Å; I77-Q211 PolarHBondContact O-N 3.04Å; F78-Q211 CarbonylContact C-O 3.59Å; F78-Q211 WeakPolarHBondContact CA-O 3.41Å; F78-Q211 HydrophobicContact CB-CB 4.49Å; F78-Q211 HydrophobicContact CD2-CB 3.59Å; F78-Q211 HydrophobicContact CE2-CB 4.29Å; F78-Q211 HydrophobicContact CG-CB 4.46Å; I79-Q211 PolarHBondContact N-O 3.38Å; G208-Q211 PolarHBondContact O-NE2 3.26Å; G208-Q211 VanDerWaalsContact O-NE2 3.15Å
212	V	95.3	Very high	93.6	Very high	44 Å²	44	64.5 Å²	64.5	27%	0.267	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.6	-179.2	-175.1	0	0	0	0	108.1	I79 L216	I79-V212 HydrophobicContact CD1-CG2 4.32Å; V212-L216 HydrophobicContact CG1-CB 3.93Å; V212-L216 HydrophobicContact CG1-CD2 3.37Å; V212-L216 HydrophobicContact CG1-CG 4.28Å
213	A	94.5	Very high	93.3	Very high	22 Å²	22	66.2 Å²	66.2	18%	0.182	39%	0.389	C	S	.	.			trans	-58.5	139.5	175.5	0	0	0	0	0	111.7	F78 I79 L216	F78-A213 HydrophobicContact CE1-CB 4.2Å; F78-A213 HydrophobicContact CZ-CB 3.9Å; I79-A213 WeakPolarHBondContact O-CB 3.47Å; I79-A213 PolarHBondContact O-N 3.19Å; A213-L216 WeakPolarHBondContact O-CB 3.34Å; A213-L216 PolarHBondContact O-N 3.29Å
214	E	91.4	Very high	93.1	Very high	199 Å²	199	65.2 Å²	65.2	93%	0.93	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	136.4	175.1	-66.5	-177.6	-177.1	0	0	110.6	L216	E214-L216 VanDerWaalsContact C-N 3.28Å; E214-L216 PolarHBondContact O-N 2.95Å
215	G	88.6	Confident	92.7	Very high	71 Å²	71	72.5 Å²	72.5	73%	0.732	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	12.8	-178.3	0	0	0	0	0	114.9	T217	G215-T217 PolarHBondContact O-N 3.27Å; G215-T217 VanDerWaalsContact O-N 3.1Å
216	L	92.4	Very high	92.2	Very high	49 Å²	49	78 Å²	78	26%	0.257	44%	0.442	S	S	.	.			trans	-64.2	111.9	172.2	-177.6	71.3	0	0	0	110.6	I79 F82 V212 A213 E214 L223	I79-L216 HydrophobicContact CG2-CD2 4.05Å; F82-L216 HydrophobicContact CB-CD1 4.44Å; F82-L216 HydrophobicContact CB-CD2 3.89Å; V212-L216 HydrophobicContact CG1-CB 3.93Å; V212-L216 HydrophobicContact CG1-CD2 3.37Å; V212-L216 HydrophobicContact CG1-CG 4.28Å; A213-L216 WeakPolarHBondContact O-CB 3.34Å; A213-L216 PolarHBondContact O-N 3.29Å; E214-L216 VanDerWaalsContact C-N 3.28Å; E214-L216 PolarHBondContact O-N 2.95Å; L216-L223 HydrophobicContact CD2-CD2 4.41Å
217	T	91.4	Very high	92	Very high	119 Å²	119	75.7 Å²	75.7	73%	0.73	42%	0.418	S	S	*	.			trans	-122.1	142.7	175.5	59.9	0	0	0	0	111.4	G215	G215-T217 PolarHBondContact O-N 3.27Å; G215-T217 VanDerWaalsContact O-N 3.1Å
218	L	92.9	Very high	92	Very high	16 Å²	16	72 Å²	72	8%	0.084	40%	0.396	C	S	.	.			trans	-105	140.9	172.6	-66.2	167.3	0	0	0	109.5	F82 F221 L223 L250	F82-L218 VanDerWaalsContact C-CD2 3.5Å; F82-L218 HydrophobicContact CB-CD2 4.14Å; F82-L218 HydrophobicContact CD1-CD1 3.77Å; F82-L218 HydrophobicContact CD1-CD2 3.75Å; F82-L218 HydrophobicContact CD1-CG 4.36Å; F82-L218 HydrophobicContact CE1-CD1 4.24Å; F82-L218 HydrophobicContact CG-CD1 4.5Å; F82-L218 HydrophobicContact CG-CD2 4.4Å; F82-L218 WeakPolarHBondContact O-CD2 3.26Å; L218-F221 HydrophobicContact CB-CB 4.25Å; L218-F221 VanDerWaalsContact CB-O 3.24Å; L218-F221 WeakPolarHBondContact CB-O 3.22Å; L218-F221 HydrophobicContact CD1-CB 4.05Å; L218-F221 VanDerWaalsContact O-O 3.1Å; L218-L223 HydrophobicContact CD1-CB 4.32Å; L218-L250 HydrophobicContact CD1-CD2 3.86Å
219	P	90.4	Very high	92.2	Very high	116 Å²	116	74 Å²	74	75%	0.753	40%	0.397	S	S	*	.	S	Bend	trans	-73.9	-28.1	-176	27.1	-34.6	0	0	0	114	Q253	P219-Q253 PolarHBondContact O-OE1 3.12Å
220	Q	91.8	Very high	92.2	Very high	84 Å²	84	74 Å²	74	39%	0.393	40%	0.401	S	S	.	.	S	Bend	trans	-113.8	-15.8	-175.6	-70.7	177.7	-22.9	0	0	113.3	Q253	Q220-Q253 PolarHBondContact O-N 3.05Å
221	F	94.6	Very high	92.2	Very high	4 Å²	4	80 Å²	80	2%	0.018	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	163.2	-173.1	-67.5	-87.4	0	0	0	110.4	V85 Q184 L218 L250 E251 R252	V85-F221 HydrophobicContact CB-CD2 4.17Å; V85-F221 HydrophobicContact CB-CE2 3.81Å; V85-F221 HydrophobicContact CG1-CD2 4.36Å; V85-F221 HydrophobicContact CG1-CE2 3.69Å; V85-F221 HydrophobicContact CG1-CZ 3.98Å; V85-F221 HydrophobicContact CG2-CD2 4.25Å; V85-F221 HydrophobicContact CG2-CE2 4.36Å; Q184-F221 HydrophobicContact CG-CE1 4.45Å; L218-F221 HydrophobicContact CB-CB 4.25Å; L218-F221 VanDerWaalsContact CB-O 3.24Å; L218-F221 WeakPolarHBondContact CB-O 3.22Å; L218-F221 HydrophobicContact CD1-CB 4.05Å; L218-F221 VanDerWaalsContact O-O 3.1Å; F221-L250 HydrophobicContact CB-CB 4.37Å; F221-L250 HydrophobicContact CD1-CB 3.88Å; F221-L250 HydrophobicContact CG-CB 4.31Å; F221-E251 CarbonylContact C-O 3.58Å; F221-E251 WeakPolarHBondContact CA-O 3.34Å; F221-R252 HydrophobicContact CD1-CB 4.11Å; F221-R252 HydrophobicContact CE1-CB 3.93Å; F221-R252 HydrophobicContact CE1-CG 4.19Å; F221-R252 VanDerWaalsContact CZ-CZ 3.43Å; F221-R252 VanDerWaalsContact CZ-NH1 3.29Å
222	I	93.6	Very high	92.2	Very high	84 Å²	84	77.5 Å²	77.5	43%	0.431	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.1	167.4	-60.7	171.4	0	0	0	105.8	E251 Q253	I222-E251 HydrophobicContact CB-CB 4.47Å; I222-E251 PolarHBondContact N-O 3.13Å; I222-E251 PolarHBondContact O-N 2.8Å; I222-Q253 HydrophobicContact CD1-CG 4.01Å; I222-Q253 HydrophobicContact CG1-CG 3.81Å
223	L	93.5	Very high	92.2	Very high	36 Å²	36	78 Å²	78	19%	0.188	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	120.5	172.7	178.5	64.8	0	0	0	108.1	L216 L218 F248 L250	L216-L223 HydrophobicContact CD2-CD2 4.41Å; L218-L223 HydrophobicContact CD1-CB 4.32Å; L223-F248 HydrophobicContact CD1-CB 3.97Å; L223-F248 HydrophobicContact CD1-CD1 4.18Å; L223-F248 HydrophobicContact CD1-CG 4.48Å; L223-L250 HydrophobicContact CB-CD2 4.32Å; L223-L250 HydrophobicContact CD1-CD2 3.74Å
224	K	92	Very high	92.2	Very high	50 Å²	50	79.8 Å²	79.8	22%	0.217	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	149.5	175.9	-66	-164.9	172.5	-169.8	0	111.3	H249 E251 V449	K224-H249 HydrophobicContact CB-CB 4.14Å; K224-H249 HydrophobicContact CD-CB 3.97Å; K224-H249 HydrophobicContact CG-CB 4.13Å; K224-H249 PolarHBondContact N-O 3.39Å; K224-E251 VanDerWaalsContact CE-OE2 3.26Å; K224-E251 WeakPolarHBondContact CE-OE2 3.27Å; K224-E251 IonicContact NZ-OE2 2.92Å; K224-V449 VanDerWaalsContact NZ-CG1 3.33Å
225	E	88	Confident	92.4	Very high	175 Å²	175	76.3 Å²	76.3	82%	0.818	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	-31.1	-178.8	-69.2	-175	179	0	0	113	K227	E225-K227 WeakPolarHBondContact O-CD 3.31Å; E225-K227 WeakPolarHBondContact O-CE 3.13Å; E225-K227 PolarHBondContact O-NZ 3.02Å
226	E	86.3	Confident	92.7	Very high	165 Å²	165	78.4 Å²	78.4	77%	0.771	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	128.1	176.3	-66	173.5	-178.1	0	0	110
227	K	88.6	Confident	92.8	Very high	68 Å²	68	84.7 Å²	84.7	30%	0.296	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122.5	174.2	-59.7	96.6	-167.4	170.9	0	108.3	E225 V246 F248	E225-K227 WeakPolarHBondContact O-CD 3.31Å; E225-K227 WeakPolarHBondContact O-CE 3.13Å; E225-K227 PolarHBondContact O-NZ 3.02Å; K227-V246 HydrophobicContact CB-CG2 4.12Å; K227-F248 HydrophobicContact CG-CD1 4.43Å
228	E	91.8	Very high	93	Very high	66 Å²	66	84.6 Å²	84.6	31%	0.308	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	125	172.8	-66.8	176	-159.9	0	0	109.2	V246 K247 H249	E228-V246 WeakPolarHBondContact O-CA 3.21Å; E228-K247 HydrophobicContact CB-CB 4.16Å; E228-K247 HydrophobicContact CB-CD 4.48Å; E228-K247 HydrophobicContact CB-CG 4.26Å; E228-K247 PolarHBondContact O-N 3.49Å; E228-K247 WeakPolarHBondContact OE2-CD 3.5Å; E228-K247 IonicContact OE2-NZ 2.83Å; E228-K247 PolarHBondContact OE2-NZ 2.8Å; E228-H249 IonicContact OE1-CE1 2.69Å; E228-H249 PolarHBondContact OE1-CE1 3.03Å; E228-H249 IonicContact OE1-NE2 3.48Å; E228-H249 PolarHBondContact OE1-NE2 3Å
229	L	94.7	Very high	93.1	Very high	79 Å²	79	84.9 Å²	84.9	41%	0.414	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	135.9	172.6	-56.8	169.2	0	0	0	108.7	W204 P209 V210 V246	W204-L229 HydrophobicContact CD2-CD2 4.21Å; W204-L229 HydrophobicContact CG-CD2 4.47Å; W204-L229 HydrophobicContact CZ2-CD2 4.47Å; P209-L229 HydrophobicContact CB-CD1 4.08Å; P209-L229 HydrophobicContact CG-CD1 3.26Å; P209-L229 HydrophobicContact CG-CD2 4.4Å; P209-L229 HydrophobicContact CG-CG 4.44Å; V210-L229 HydrophobicContact CG2-CD2 3.87Å; L229-V246 HydrophobicContact CD2-CB 4.05Å; L229-V246 HydrophobicContact CD2-CG2 4.02Å
230	G	93.1	Very high	93.4	Very high	18 Å²	18	85.1 Å²	85.1	19%	0.186	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	167.8	-179.1	0	0	0	0	0	112.9	E245	G230-E245 PolarHBondContact N-O 3.49Å; G230-E245 PolarHBondContact O-N 2.82Å
231	Y	95.4	Very high	93.7	Very high	144 Å²	144	81.8 Å²	81.8	57%	0.565	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	136.1	168.5	-63.4	-90.1	0	0	0	108.5	I244	Y231-I244 HydrophobicContact CD1-CG2 3.69Å; Y231-I244 HydrophobicContact CE1-CG2 3.8Å
232	C	95.6	Very high	93.9	Very high	18 Å²	18	81.7 Å²	81.7	12%	0.122	40%	0.403	C	S	.	.			trans	-126.7	33.7	-171.5	48.1	0	0	0	0	112.5	K234 C243 I244 E245	C232-K234 WeakPolarHBondContact O-CD 3.24Å; C232-K234 WeakPolarHBondContact O-CE 3.04Å; C232-K234 PolarHBondContact O-N 3.01Å; C232-C243 VanDerWaalsContact C-CB 3.44Å; C232-C243 HydrophobicContact CB-CB 4.03Å; C232-C243 WeakPolarHBondContact CB-SG 3.4Å; C232-C243 PolarHBondContact N-O 3.47Å; C232-C243 WeakPolarHBondContact O-CB 3.07Å; C232-C243 PolarHBondContact O-SG 2.75Å; C232-C243 WeakPolarHBondContact SG-CB 3.3Å; C232-C243 PolarHBondContact SG-O 2.94Å; C232-C243 CovalentContact SG-SG 2.05Å; C232-C243 PolarHBondContact SG-SG 2.87Å; C232-I244 PolarHBondContact SG-N 2.8Å; C232-E245 HydrophobicContact CB-CB 4.37Å; C232-E245 HydrophobicContact CB-CG 4.09Å
233	T	96.1	Very high	94.1	Very high	55 Å²	55	77.7 Å²	77.7	34%	0.337	38%	0.382	S	S	.	.			trans	-40.2	121.2	-175	-54.8	0	0	0	0	112	M197 F241	M197-T233 HydrophobicContact CG-CG2 4.32Å; M197-T233 HydrophobicContact SD-CG2 4.35Å; T233-F241 WeakPolarHBondContact CG2-O 3.28Å
234	K	93.3	Very high	94.3	Very high	59 Å²	59	76 Å²	76	26%	0.257	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	143.9	-177.1	-57.8	-64.4	-176.8	170.2	0	110.7	E191 C232 Y236 K240 F241 C243	E191-K234 VanDerWaalsContact OE1-CB 3.23Å; E191-K234 WeakPolarHBondContact OE1-CB 3.21Å; E191-K234 WeakPolarHBondContact OE1-CG 3.33Å; C232-K234 WeakPolarHBondContact O-CD 3.24Å; C232-K234 WeakPolarHBondContact O-CE 3.04Å; C232-K234 PolarHBondContact O-N 3.01Å; K234-Y236 HydrophobicContact CB-CD2 4.39Å; K234-Y236 HydrophobicContact CB-CE2 3.69Å; K234-Y236 HydrophobicContact CG-CE2 4.46Å; K234-K240 WeakPolarHBondContact O-CA 3.34Å; K234-F241 PolarHBondContact N-O 2.62Å; K234-F241 PolarHBondContact O-N 3.28Å; K234-C243 HydrophobicContact CG-CB 4.33Å
235	H	96.3	Very high	94.5	Very high	127 Å²	127	75 Å²	75	59%	0.588	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.2	110	178.7	-68.4	-106.4	0	0	0	108.5	K240	H235-K240 VanDerWaalsContact CE1-CD 3.49Å; H235-K240 WeakPolarHBondContact CE1-CD 2.99Å; H235-K240 WeakPolarHBondContact CE1-CE 3.4Å
236	Y	95.1	Very high	94.9	Very high	114 Å²	114	66.7 Å²	66.7	45%	0.447	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	168.8	172.6	-56.5	-65.8	0	0	0	110.2	E191 K234 T238 G239 F241	E191-Y236 WeakPolarHBondContact OE1-CE2 3.49Å; E191-Y236 PolarHBondContact OE1-OH 2.88Å; E191-Y236 PolarHBondContact OE2-OH 2.88Å; K234-Y236 HydrophobicContact CB-CD2 4.39Å; K234-Y236 HydrophobicContact CB-CE2 3.69Å; K234-Y236 HydrophobicContact CG-CE2 4.46Å; Y236-T238 PolarHBondContact O-N 2.76Å; Y236-G239 PolarHBondContact N-O 2.84Å; Y236-G239 PolarHBondContact O-N 2.87Å; Y236-G239 VanDerWaalsContact O-N 3.1Å; Y236-G239 VanDerWaalsContact O-O 3.09Å; Y236-F241 AromaticContact CD2-CD2 3.56Å; Y236-F241 HydrophobicContact CD2-CD2 3.56Å; Y236-F241 AromaticContact CD2-CE2 3.87Å; Y236-F241 HydrophobicContact CD2-CE2 3.87Å; Y236-F241 HydrophobicContact CD2-CG 4.43Å; Y236-F241 HydrophobicContact CE2-CD2 4.16Å
237	N	95.1	Very high	95.4	Very high	182 Å²	182	61.7 Å²	61.7	97%	0.973	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.1	175.5	-64.2	-3.5	0	0	0	112.4
238	T	94.9	Very high	95.7	Very high	116 Å²	116	58.4 Å²	58.4	71%	0.712	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-19.7	178	49	0	0	0	0	113.6	Y236 F241	Y236-T238 PolarHBondContact O-N 2.76Å; T238-F241 WeakPolarHBondContact OG1-CE2 3.49Å
239	G	95.5	Very high	95.8	Very high	22 Å²	22	56.1 Å²	56.1	23%	0.227	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.2	-173.7	-178.4	0	0	0	0	0	114.4	Y236 F241	Y236-G239 PolarHBondContact N-O 2.84Å; Y236-G239 PolarHBondContact O-N 2.87Å; Y236-G239 VanDerWaalsContact O-N 3.1Å; Y236-G239 VanDerWaalsContact O-O 3.09Å; G239-F241 WeakPolarHBondContact O-CD2 3.42Å
240	K	97.2	Very high	95.8	Very high	122 Å²	122	52.3 Å²	52.3	53%	0.53	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.7	172.4	-59.5	-174.4	-174	-178.5	0	109.4	T196 M197 K234 H235	T196-K240 CarbonylContact C-O 3.45Å; T196-K240 WeakPolarHBondContact CA-O 3.17Å; T196-K240 WeakPolarHBondContact CB-O 3.25Å; M197-K240 HydrophobicContact CG-CB 4.16Å; M197-K240 PolarHBondContact N-O 3.1Å; K234-K240 WeakPolarHBondContact O-CA 3.34Å; H235-K240 VanDerWaalsContact CE1-CD 3.49Å; H235-K240 WeakPolarHBondContact CE1-CD 2.99Å; H235-K240 WeakPolarHBondContact CE1-CE 3.4Å
241	F	97.6	Very high	95.8	Very high	13 Å²	13	53.5 Å²	53.5	6%	0.057	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	141.8	-175.6	-65.2	-96	0	0	0	110.7	E191 S192 F193 Y195 T196 T233 K234 Y236 T238 G239	E191-F241 HydrophobicContact CG-CB 4.41Å; S192-F241 WeakPolarHBondContact O-CD1 3.31Å; F193-F241 WeakPolarHBondContact O-CE1 3.24Å; Y195-F241 WeakPolarHBondContact O-CD1 3.24Å; T196-F241 HydrophobicContact CG2-CE1 4.38Å; T196-F241 HydrophobicContact CG2-CZ 4.34Å; T233-F241 WeakPolarHBondContact CG2-O 3.28Å; K234-F241 PolarHBondContact N-O 2.62Å; K234-F241 PolarHBondContact O-N 3.28Å; Y236-F241 AromaticContact CD2-CD2 3.56Å; Y236-F241 HydrophobicContact CD2-CD2 3.56Å; Y236-F241 AromaticContact CD2-CE2 3.87Å; Y236-F241 HydrophobicContact CD2-CE2 3.87Å; Y236-F241 HydrophobicContact CD2-CG 4.43Å; Y236-F241 HydrophobicContact CE2-CD2 4.16Å; T238-F241 WeakPolarHBondContact OG1-CE2 3.49Å; G239-F241 WeakPolarHBondContact O-CD2 3.42Å
242	T	97.7	Very high	95.8	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.018	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	136.2	178	-177.8	0	0	0	0	110.3	E191 S192 M197 L200 F202	E191-T242 WeakPolarHBondContact CA-O 3.34Å; E191-T242 WeakPolarHBondContact CG-O 3.3Å; S192-T242 PolarHBondContact N-O 3.47Å; M197-T242 WeakPolarHBondContact SD-CA 3.47Å; M197-T242 WeakPolarHBondContact SD-CB 3.44Å; L200-T242 HydrophobicContact CD2-CG2 3.68Å; L200-T242 WeakPolarHBondContact O-CG2 3.39Å; F202-T242 HydrophobicContact CB-CG2 4.25Å; F202-T242 HydrophobicContact CD2-CG2 3.49Å; F202-T242 VanDerWaalsContact CD2-CG2 3.49Å; F202-T242 HydrophobicContact CE2-CG2 3.96Å; F202-T242 HydrophobicContact CG-CG2 3.91Å; F202-T242 PolarHBondContact N-OG1 3.26Å
243	C	97.8	Very high	95.7	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	128.9	178.5	178.3	0	0	0	0	108.9	L190 E191 C232 K234	L190-C243 VanDerWaalsContact O-CA 3.27Å; L190-C243 WeakPolarHBondContact O-CA 3.49Å; E191-C243 HydrophobicContact CB-CB 4.34Å; E191-C243 HydrophobicContact CG-CB 4.29Å; C232-C243 VanDerWaalsContact C-CB 3.44Å; C232-C243 HydrophobicContact CB-CB 4.03Å; C232-C243 WeakPolarHBondContact CB-SG 3.4Å; C232-C243 PolarHBondContact N-O 3.47Å; C232-C243 WeakPolarHBondContact O-CB 3.07Å; C232-C243 PolarHBondContact O-SG 2.75Å; C232-C243 WeakPolarHBondContact SG-CB 3.3Å; C232-C243 PolarHBondContact SG-O 2.94Å; C232-C243 CovalentContact SG-SG 2.05Å; C232-C243 PolarHBondContact SG-SG 2.87Å; K234-C243 HydrophobicContact CG-CB 4.33Å
244	I	97.6	Very high	95.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	143.7	171.5	57.5	173.3	0	0	0	109	C75 L190 F202 W204 Y231 C232	C75-I244 HydrophobicContact CB-CD1 3.7Å; L190-I244 HydrophobicContact CB-CG1 3.95Å; L190-I244 PolarHBondContact N-O 3.42Å; L190-I244 PolarHBondContact O-N 2.78Å; F202-I244 HydrophobicContact CB-CD1 4.04Å; F202-I244 HydrophobicContact CB-CG1 4.1Å; F202-I244 HydrophobicContact CB-CG2 3.93Å; F202-I244 WeakPolarHBondContact O-CG2 3.33Å; W204-I244 HydrophobicContact CD2-CD1 3.97Å; W204-I244 HydrophobicContact CE3-CD1 4.16Å; W204-I244 HydrophobicContact CH2-CD1 4.11Å; W204-I244 HydrophobicContact CZ2-CB 4.09Å; W204-I244 HydrophobicContact CZ2-CD1 3.91Å; W204-I244 HydrophobicContact CZ2-CG1 4Å; W204-I244 HydrophobicContact CZ3-CD1 4.24Å; Y231-I244 HydrophobicContact CD1-CG2 3.69Å; Y231-I244 HydrophobicContact CE1-CG2 3.8Å; C232-I244 PolarHBondContact SG-N 2.8Å
245	E	96.9	Very high	95.6	Very high	30 Å²	30	47.8 Å²	47.8	14%	0.14	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	152	179	66.3	172.2	-155.6	0	0	112.8	M188 Q189 W204 G230 C232 K247	M188-E245 VanDerWaalsContact O-CA 3.25Å; M188-E245 WeakPolarHBondContact O-CA 3.36Å; Q189-E245 HydrophobicContact CG-CB 3.95Å; Q189-E245 PolarHBondContact NE2-OE2 2.99Å; W204-E245 PolarHBondContact NE1-O 3.42Å; G230-E245 PolarHBondContact N-O 3.49Å; G230-E245 PolarHBondContact O-N 2.82Å; C232-E245 HydrophobicContact CB-CB 4.37Å; C232-E245 HydrophobicContact CB-CG 4.09Å; E245-K247 VanDerWaalsContact OE1-CE 3.25Å; E245-K247 WeakPolarHBondContact OE1-CE 3.17Å
246	V	96.8	Very high	95.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138.3	167.4	54.8	0	0	0	0	108.8	T187 M188 W204 V210 K227 E228 L229 F248	T187-V246 CarbonylContact C-O 3.53Å; T187-V246 WeakPolarHBondContact CA-O 3.45Å; M188-V246 HydrophobicContact CB-CG1 3.84Å; M188-V246 PolarHBondContact N-O 3.23Å; M188-V246 PolarHBondContact O-N 3.36Å; M188-V246 HydrophobicContact SD-CG1 4.41Å; W204-V246 HydrophobicContact CH2-CB 4.38Å; W204-V246 HydrophobicContact CH2-CG1 4.28Å; W204-V246 HydrophobicContact CZ2-CB 4.15Å; W204-V246 HydrophobicContact CZ2-CG1 4.4Å; V210-V246 HydrophobicContact CG2-CB 4.4Å; V210-V246 HydrophobicContact CG2-CG2 4.06Å; K227-V246 HydrophobicContact CB-CG2 4.12Å; E228-V246 WeakPolarHBondContact O-CA 3.21Å; L229-V246 HydrophobicContact CD2-CB 4.05Å; L229-V246 HydrophobicContact CD2-CG2 4.02Å; V246-F248 HydrophobicContact CB-CZ 4.42Å; V246-F248 HydrophobicContact CG1-CE1 4.4Å; V246-F248 HydrophobicContact CG1-CE2 3.79Å; V246-F248 HydrophobicContact CG1-CZ 3.59Å; V246-F248 HydrophobicContact CG2-CD1 4.41Å; V246-F248 HydrophobicContact CG2-CE1 3.88Å; V246-F248 HydrophobicContact CG2-CE2 4.45Å; V246-F248 HydrophobicContact CG2-CZ 3.9Å
247	K	95.8	Very high	95.4	Very high	59 Å²	59	42.5 Å²	42.5	26%	0.257	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.8	174	-42.5	-167.4	-163.6	138.6	0	110.8	T185 T187 E228 E245	T185-K247 HydrophobicContact CG2-CB 3.84Å; T185-K247 HydrophobicContact CG2-CD 4.04Å; T187-K247 HydrophobicContact CG2-CB 4.36Å; T187-K247 HydrophobicContact CG2-CD 4.14Å; T187-K247 HydrophobicContact CG2-CG 3.86Å; E228-K247 HydrophobicContact CB-CB 4.16Å; E228-K247 HydrophobicContact CB-CD 4.48Å; E228-K247 HydrophobicContact CB-CG 4.26Å; E228-K247 PolarHBondContact O-N 3.49Å; E228-K247 WeakPolarHBondContact OE2-CD 3.5Å; E228-K247 IonicContact OE2-NZ 2.83Å; E228-K247 PolarHBondContact OE2-NZ 2.8Å; E245-K247 VanDerWaalsContact OE1-CE 3.25Å; E245-K247 WeakPolarHBondContact OE1-CE 3.17Å
248	F	95.4	Very high	95.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	121.2	175.4	-57	-68.6	0	0	0	109.4	I79 F82 T185 C186 M188 V210 L223 K227 V246	I79-F248 HydrophobicContact CD1-CD1 4.36Å; I79-F248 HydrophobicContact CD1-CE1 3.43Å; I79-F248 VanDerWaalsContact CD1-CE1 3.43Å; I79-F248 HydrophobicContact CD1-CZ 3.68Å; F82-F248 HydrophobicContact CE2-CB 4.4Å; F82-F248 HydrophobicContact CE2-CD1 4.49Å; F82-F248 HydrophobicContact CE2-CD2 4.07Å; F82-F248 HydrophobicContact CE2-CG 4.05Å; F82-F248 HydrophobicContact CZ-CB 4.48Å; T185-F248 CarbonylContact C-O 3.56Å; T185-F248 WeakPolarHBondContact CA-O 3.2Å; C186-F248 PolarHBondContact N-O 3.23Å; C186-F248 WeakPolarHBondContact O-CD2 3.4Å; C186-F248 PolarHBondContact O-N 2.68Å; M188-F248 HydrophobicContact CB-CE2 3.99Å; M188-F248 HydrophobicContact CE-CE2 4.17Å; M188-F248 HydrophobicContact CE-CZ 4.47Å; V210-F248 HydrophobicContact CG1-CE1 4.23Å; L223-F248 HydrophobicContact CD1-CB 3.97Å; L223-F248 HydrophobicContact CD1-CD1 4.18Å; L223-F248 HydrophobicContact CD1-CG 4.48Å; K227-F248 HydrophobicContact CG-CD1 4.43Å; V246-F248 HydrophobicContact CB-CZ 4.42Å; V246-F248 HydrophobicContact CG1-CE1 4.4Å; V246-F248 HydrophobicContact CG1-CE2 3.79Å; V246-F248 HydrophobicContact CG1-CZ 3.59Å; V246-F248 HydrophobicContact CG2-CD1 4.41Å; V246-F248 HydrophobicContact CG2-CE1 3.88Å; V246-F248 HydrophobicContact CG2-CE2 4.45Å; V246-F248 HydrophobicContact CG2-CZ 3.9Å
249	H	94.4	Very high	95.5	Very high	17 Å²	17	37 Å²	37	8%	0.079	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	116.8	173.2	-54.6	-70.4	0	0	0	109.8	V183 Q184 T185 K224 E228	V183-H249 HydrophobicContact CG1-CB 4.46Å; Q184-H249 CarbonylContact O-C 3.5Å; Q184-H249 WeakPolarHBondContact O-CA 3.41Å; T185-H249 PolarHBondContact OG1-ND1 3.43Å; K224-H249 HydrophobicContact CB-CB 4.14Å; K224-H249 HydrophobicContact CD-CB 3.97Å; K224-H249 HydrophobicContact CG-CB 4.13Å; K224-H249 PolarHBondContact N-O 3.39Å; E228-H249 IonicContact OE1-CE1 2.69Å; E228-H249 PolarHBondContact OE1-CE1 3.03Å; E228-H249 IonicContact OE1-NE2 3.48Å; E228-H249 PolarHBondContact OE1-NE2 3Å
250	L	94.4	Very high	95.3	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	112.5	-178.3	-60.6	174.2	0	0	0	109	F82 V85 V183 Q184 C186 L218 F221 L223	F82-L250 HydrophobicContact CE1-CD1 3.84Å; F82-L250 HydrophobicContact CE1-CD2 3.8Å; F82-L250 HydrophobicContact CE1-CG 4.44Å; F82-L250 HydrophobicContact CZ-CD1 3.97Å; F82-L250 HydrophobicContact CZ-CD2 3.97Å; F82-L250 HydrophobicContact CZ-CG 4.44Å; V85-L250 HydrophobicContact CG2-CD1 4.12Å; V183-L250 WeakPolarHBondContact CA-O 3.49Å; Q184-L250 HydrophobicContact CB-CB 4.35Å; Q184-L250 PolarHBondContact N-O 2.98Å; Q184-L250 PolarHBondContact O-N 2.86Å; C186-L250 HydrophobicContact CB-CD1 4.39Å; L218-L250 HydrophobicContact CD1-CD2 3.86Å; F221-L250 HydrophobicContact CB-CB 4.37Å; F221-L250 HydrophobicContact CD1-CB 3.88Å; F221-L250 HydrophobicContact CG-CB 4.31Å; L223-L250 HydrophobicContact CB-CD2 4.32Å; L223-L250 HydrophobicContact CD1-CD2 3.74Å
251	E	93.5	Very high	95.1	Very high	42 Å²	42	35.9 Å²	35.9	20%	0.196	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	124	178.4	-178.5	170.7	159.2	0	0	110.4	V183 F221 I222 K224 R445	V183-E251 HydrophobicContact CG2-CG 4.33Å; F221-E251 CarbonylContact C-O 3.58Å; F221-E251 WeakPolarHBondContact CA-O 3.34Å; I222-E251 HydrophobicContact CB-CB 4.47Å; I222-E251 PolarHBondContact N-O 3.13Å; I222-E251 PolarHBondContact O-N 2.8Å; K224-E251 VanDerWaalsContact CE-OE2 3.26Å; K224-E251 WeakPolarHBondContact CE-OE2 3.27Å; K224-E251 IonicContact NZ-OE2 2.92Å; E251-R445 IonicContact OE1-CZ 2.93Å; E251-R445 IonicContact OE1-NE 3.31Å; E251-R445 IonicContact OE1-NH2 3.42Å; E251-R445 PolarHBondContact OE1-NH2 2.89Å
252	R	94.6	Very high	95.1	Very high	3 Å²	3	35.6 Å²	35.6	1%	0.011	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	136.4	-176.9	-169	179.1	-58.9	-86.3	-0.6	112	E87 P180 D182 F221 Y257	E87-R252 IonicContact OE1-CZ 3.26Å; E87-R252 IonicContact OE1-NH1 3.98Å; E87-R252 PolarHBondContact OE1-NH1 3.49Å; E87-R252 IonicContact OE1-NH2 3.36Å; E87-R252 PolarHBondContact OE1-NH2 3.49Å; P180-R252 WeakPolarHBondContact O-CD 3.26Å; D182-R252 PolarHBondContact O-N 2.99Å; D182-R252 WeakPolarHBondContact OD1-CB 3.46Å; D182-R252 VanDerWaalsContact OD1-CD 3.27Å; D182-R252 WeakPolarHBondContact OD1-CD 3.41Å; D182-R252 IonicContact OD1-CZ 3.87Å; D182-R252 IonicContact OD1-NE 3.69Å; D182-R252 PolarHBondContact OD1-NE 3.33Å; D182-R252 IonicContact OD1-NH2 3.52Å; D182-R252 IonicContact OD2-CZ 2.67Å; D182-R252 IonicContact OD2-NE 2.83Å; D182-R252 PolarHBondContact OD2-NE 2.9Å; D182-R252 IonicContact OD2-NH2 3.56Å; D182-R252 PolarHBondContact OD2-NH2 3.26Å; D182-R252 VanDerWaalsContact OD2-NH2 3.1Å; F221-R252 HydrophobicContact CD1-CB 4.11Å; F221-R252 HydrophobicContact CE1-CB 3.93Å; F221-R252 HydrophobicContact CE1-CG 4.19Å; F221-R252 VanDerWaalsContact CZ-CZ 3.43Å; F221-R252 VanDerWaalsContact CZ-NH1 3.29Å; R252-Y257 VanDerWaalsContact CD-CE2 3.5Å; R252-Y257 HydrophobicContact CG-CE2 3.97Å; R252-Y257 PolarHBondContact NH1-OH 3.04Å; R252-Y257 VanDerWaalsContact NH1-OH 3.16Å
253	Q	93.8	Very high	95	Very high	85 Å²	85	39.8 Å²	39.8	40%	0.397	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-81	124.8	173.4	-66.9	-166.9	-24.1	0	0	111.7	P219 Q220 I222	P219-Q253 PolarHBondContact O-OE1 3.12Å; Q220-Q253 PolarHBondContact O-N 3.05Å; I222-Q253 HydrophobicContact CD1-CG 4.01Å; I222-Q253 HydrophobicContact CG1-CG 3.81Å
254	M	92.9	Very high	95	Very high	27 Å²	27	42 Å²	42	13%	0.133	21%	0.212	C	C	.	.			trans	-81.2	-20.2	-173.3	-75.4	-66.5	-68.1	0	0	115	P180 M181 Y256 Y257 L258 Y262 W438	P180-M254 VanDerWaalsContact C-SD 3.51Å; P180-M254 HydrophobicContact CB-SD 3.93Å; P180-M254 HydrophobicContact CG-CE 3.9Å; P180-M254 HydrophobicContact CG-SD 3.73Å; M181-M254 HydrophobicContact CB-SD 4.33Å; M181-M254 HydrophobicContact CG-CE 3.35Å; M181-M254 HydrophobicContact CG-CG 4.31Å; M181-M254 HydrophobicContact CG-SD 3.41Å; M181-M254 WeakPolarHBondContact CG-SD 3.4Å; M181-M254 HydrophobicContact SD-CE 3.99Å; M254-Y256 PolarHBondContact O-N 3.43Å; M254-Y257 PolarHBondContact O-N 3.49Å; M254-Y257 VanDerWaalsContact O-N 3.14Å; M254-L258 HydrophobicContact CB-CD1 4.44Å; M254-L258 WeakPolarHBondContact O-CG 3.5Å; M254-L258 PolarHBondContact O-N 3Å; M254-Y262 HydrophobicContact CE-CE2 4.36Å; M254-W438 HydrophobicContact CE-CH2 4.25Å; M254-W438 HydrophobicContact CE-CZ3 4.06Å
255	G	93.9	Very high	95	Very high	41 Å²	41	42 Å²	42	42%	0.423	21%	0.212	S	C	.	.	H	α-helix	trans	-57.1	-43.6	-168	0	0	0	0	0	114.1	L258 I259	G255-L258 PolarHBondContact O-N 3.1Å; G255-I259 PolarHBondContact O-N 2.04Å
256	Y	94.1	Very high	94.9	Very high	118 Å²	118	43.1 Å²	43.1	46%	0.463	22%	0.219	S	C	.	.	H	α-helix	trans	-59.8	-48.2	177	170.1	-96.1	0	0	0	112.3	M254 L258 I259 Q260	M254-Y256 PolarHBondContact O-N 3.43Å; Y256-L258 VanDerWaalsContact C-N 3.34Å; Y256-L258 PolarHBondContact O-N 3.3Å; Y256-I259 PolarHBondContact O-N 2.92Å; Y256-Q260 HydrophobicContact CD2-CG 4.17Å; Y256-Q260 HydrophobicContact CE2-CG 3.9Å; Y256-Q260 VanDerWaalsContact CZ-CD 3.45Å; Y256-Q260 WeakPolarHBondContact O-CB 3.29Å; Y256-Q260 PolarHBondContact O-N 3.29Å; Y256-Q260 PolarHBondContact OH-OE1 2.84Å
257	Y	94.4	Very high	94.9	Very high	13 Å²	13	48 Å²	48	5%	0.051	24%	0.244	C	C	.	.	H	α-helix	trans	-68.2	-35	-178	-59.2	-76.8	0	0	0	112.1	F179 P180 R252 M254 M261 Y262	F179-Y257 HydrophobicContact CE1-CD1 4.45Å; F179-Y257 HydrophobicContact CE1-CE1 4.16Å; F179-Y257 AromaticContact CE2-CE1 4Å; F179-Y257 HydrophobicContact CE2-CE1 4Å; F179-Y257 AromaticContact CE2-CZ 3.9Å; F179-Y257 HydrophobicContact CZ-CD1 4.03Å; F179-Y257 AromaticContact CZ-CE1 3.34Å; F179-Y257 HydrophobicContact CZ-CE1 3.34Å; F179-Y257 AromaticContact CZ-CZ 3.74Å; P180-Y257 HydrophobicContact CB-CD1 4.06Å; P180-Y257 HydrophobicContact CB-CD2 3.57Å; P180-Y257 HydrophobicContact CB-CE1 4.37Å; P180-Y257 HydrophobicContact CB-CE2 3.9Å; P180-Y257 HydrophobicContact CB-CG 3.64Å; P180-Y257 HydrophobicContact CG-CD1 4.31Å; P180-Y257 HydrophobicContact CG-CD2 4.14Å; P180-Y257 HydrophobicContact CG-CG 3.8Å; R252-Y257 VanDerWaalsContact CD-CE2 3.5Å; R252-Y257 HydrophobicContact CG-CE2 3.97Å; R252-Y257 PolarHBondContact NH1-OH 3.04Å; R252-Y257 VanDerWaalsContact NH1-OH 3.16Å; M254-Y257 PolarHBondContact O-N 3.49Å; M254-Y257 VanDerWaalsContact O-N 3.14Å; Y257-M261 HydrophobicContact CD1-CE 3.76Å; Y257-M261 HydrophobicContact CD1-SD 3.77Å; Y257-M261 HydrophobicContact CE1-CE 4.01Å; Y257-M261 WeakPolarHBondContact O-CA 3.45Å; Y257-M261 VanDerWaalsContact O-CB 3.3Å; Y257-M261 WeakPolarHBondContact O-CB 3.39Å; Y257-M261 PolarHBondContact O-N 2.75Å; Y257-Y262 WeakPolarHBondContact O-CD2 3.49Å; Y257-Y262 PolarHBondContact O-N 2.69Å; Y257-Y262 VanDerWaalsContact O-N 3.12Å
258	L	95.1	Very high	95	Very high	64 Å²	64	46.1 Å²	46.1	34%	0.335	24%	0.237	S	C	.	.	I	π-helix	trans	-58.5	-50.1	173.9	-74.3	172.9	0	0	0	111.4	M254 G255 Y256 Y262 I263 W438	M254-L258 HydrophobicContact CB-CD1 4.44Å; M254-L258 WeakPolarHBondContact O-CG 3.5Å; M254-L258 PolarHBondContact O-N 3Å; G255-L258 PolarHBondContact O-N 3.1Å; Y256-L258 VanDerWaalsContact C-N 3.34Å; Y256-L258 PolarHBondContact O-N 3.3Å; L258-Y262 HydrophobicContact CD2-CD2 4.16Å; L258-Y262 HydrophobicContact CD2-CG 4.32Å; L258-Y262 PolarHBondContact O-N 2.88Å; L258-I263 WeakPolarHBondContact O-CG1 3.49Å; L258-I263 PolarHBondContact O-N 2.74Å; L258-W438 HydrophobicContact CD2-CH2 3.48Å; L258-W438 VanDerWaalsContact CD2-CH2 3.48Å; L258-W438 HydrophobicContact CD2-CZ2 3.97Å; L258-W438 HydrophobicContact CD2-CZ3 4.39Å
259	I	95.5	Very high	95.1	Very high	117 Å²	117	46.1 Å²	46.1	60%	0.6	24%	0.237	S	C	*	.	I	π-helix	trans	-73.1	-41.4	-175.8	-63.9	170.4	0	0	0	112	G255 Y256 P264	G255-I259 PolarHBondContact O-N 2.04Å; Y256-I259 PolarHBondContact O-N 2.92Å; I259-P264 VanDerWaalsContact O-CD 3.22Å; I259-P264 WeakPolarHBondContact O-CD 3.48Å; I259-P264 WeakPolarHBondContact O-CG 3.47Å
260	Q	92.3	Very high	95.2	Very high	106 Å²	106	48.6 Å²	48.6	50%	0.495	25%	0.25	S	C	.	.	I	π-helix	trans	-90	-27.4	-173.4	-63.4	-153.4	1.3	0	0	114.4	Y256	Y256-Q260 HydrophobicContact CD2-CG 4.17Å; Y256-Q260 HydrophobicContact CE2-CG 3.9Å; Y256-Q260 VanDerWaalsContact CZ-CD 3.45Å; Y256-Q260 WeakPolarHBondContact O-CB 3.29Å; Y256-Q260 PolarHBondContact O-N 3.29Å; Y256-Q260 PolarHBondContact OH-OE1 2.84Å
261	M	93.6	Very high	95.2	Very high	15 Å²	15	52.7 Å²	52.7	7%	0.074	27%	0.271	C	S	.	.	I	π-helix	trans	-113.4	-57.1	-174.5	-55	-172.2	-178.6	0	0	112	Y257 S265 Q300 I317	Y257-M261 HydrophobicContact CD1-CE 3.76Å; Y257-M261 HydrophobicContact CD1-SD 3.77Å; Y257-M261 HydrophobicContact CE1-CE 4.01Å; Y257-M261 WeakPolarHBondContact O-CA 3.45Å; Y257-M261 VanDerWaalsContact O-CB 3.3Å; Y257-M261 WeakPolarHBondContact O-CB 3.39Å; Y257-M261 PolarHBondContact O-N 2.75Å; M261-S265 WeakPolarHBondContact O-CB 3.47Å; M261-S265 PolarHBondContact O-N 3Å; M261-S265 PolarHBondContact O-OG 2.86Å; M261-Q300 PolarHBondContact O-NE2 2.89Å; M261-Q300 VanDerWaalsContact O-NE2 3.07Å; M261-I317 HydrophobicContact CB-CD1 4.41Å; M261-I317 HydrophobicContact SD-CD1 4.28Å; M261-I317 HydrophobicContact SD-CG1 4.39Å
262	Y	96.3	Very high	95.3	Very high	7 Å²	7	50.7 Å²	50.7	3%	0.027	26%	0.262	C	S	.	.	I	π-helix	trans	-71.2	-48.8	-172.4	-72	-88.6	0	0	0	113.5	P180 M254 Y257 L258 S265 L266 I317 W320 Y437 W438	P180-Y262 HydrophobicContact CG-CE2 4.09Å; M254-Y262 HydrophobicContact CE-CE2 4.36Å; Y257-Y262 WeakPolarHBondContact O-CD2 3.49Å; Y257-Y262 PolarHBondContact O-N 2.69Å; Y257-Y262 VanDerWaalsContact O-N 3.12Å; L258-Y262 HydrophobicContact CD2-CD2 4.16Å; L258-Y262 HydrophobicContact CD2-CG 4.32Å; L258-Y262 PolarHBondContact O-N 2.88Å; Y262-S265 WeakPolarHBondContact CA-OG 3.4Å; Y262-S265 PolarHBondContact O-N 3.49Å; Y262-S265 PolarHBondContact O-OG 3.14Å; Y262-L266 VanDerWaalsContact O-CB 3.32Å; Y262-L266 WeakPolarHBondContact O-CB 3.23Å; Y262-L266 PolarHBondContact O-N 3.28Å; Y262-I317 HydrophobicContact CE2-CD1 4.32Å; Y262-W320 AromaticContact CD1-CD2 3.56Å; Y262-W320 HydrophobicContact CD1-CD2 3.56Å; Y262-W320 AromaticContact CD1-CE2 3.41Å; Y262-W320 VanDerWaalsContact CD1-CE2 3.41Å; Y262-W320 AromaticContact CD1-CE3 3.97Å; Y262-W320 HydrophobicContact CD1-CE3 3.97Å; Y262-W320 HydrophobicContact CD1-CG 4Å; Y262-W320 HydrophobicContact CD1-CH2 4.1Å; Y262-W320 AromaticContact CD1-CZ2 3.71Å; Y262-W320 HydrophobicContact CD1-CZ2 3.71Å; Y262-W320 HydrophobicContact CD1-CZ3 4.22Å; Y262-W320 AromaticContact CD1-NE1 3.73Å; Y262-W320 HydrophobicContact CE1-CB 4.25Å; Y262-W320 AromaticContact CE1-CD2 3.54Å; Y262-W320 HydrophobicContact CE1-CD2 3.54Å; Y262-W320 AromaticContact CE1-CE2 3.92Å; Y262-W320 AromaticContact CE1-CE3 3.84Å; Y262-W320 HydrophobicContact CE1-CE3 3.84Å; Y262-W320 AromaticContact CE1-CG 3.7Å; Y262-W320 HydrophobicContact CE1-CG 3.7Å; Y262-W320 HydrophobicContact CE1-CZ3 4.44Å; Y262-Y437 AromaticContact CE1-CE1 3.66Å; Y262-Y437 HydrophobicContact CE1-CE1 3.66Å; Y262-Y437 PolarHBondContact OH-OH 3.02Å; Y262-W438 AromaticContact CD1-CH2 3.97Å; Y262-W438 HydrophobicContact CD1-CH2 3.97Å; Y262-W438 AromaticContact CD1-CZ2 3.62Å; Y262-W438 HydrophobicContact CD1-CZ2 3.62Å; Y262-W438 HydrophobicContact CD2-CH2 4.32Å; Y262-W438 AromaticContact CE1-CH2 3.87Å; Y262-W438 HydrophobicContact CE1-CH2 3.87Å; Y262-W438 AromaticContact CE1-CZ2 3.81Å; Y262-W438 HydrophobicContact CE1-CZ2 3.81Å; Y262-W438 HydrophobicContact CE2-CH2 4.23Å; Y262-W438 HydrophobicContact CG-CH2 4.21Å; Y262-W438 HydrophobicContact CG-CZ2 4.08Å; Y262-W438 AromaticContact CZ-CH2 4Å
263	I	96.6	Very high	95.3	Very high	92 Å²	92	52.4 Å²	52.4	47%	0.472	27%	0.269	S	S	.	.	H	α-helix	trans	-62.1	-49.2	-178.7	-69	172.9	0	0	0	111.5	L258 S265 L266 L267	L258-I263 WeakPolarHBondContact O-CG1 3.49Å; L258-I263 PolarHBondContact O-N 2.74Å; I263-S265 PolarHBondContact O-N 2.83Å; I263-L266 PolarHBondContact O-N 3.02Å; I263-L267 HydrophobicContact CG2-CD1 4.11Å; I263-L267 HydrophobicContact CG2-CG 4.44Å; I263-L267 WeakPolarHBondContact O-CG 3.27Å; I263-L267 PolarHBondContact O-N 2.88Å
264	P	96.9	Very high	95.3	Very high	45 Å²	45	51.6 Å²	51.6	29%	0.292	27%	0.269	S	S	.	.	H	α-helix	trans	-67	-35.9	-178.7	-21.2	34.3	0	0	0	112.9	I259 L267 I268	I259-P264 VanDerWaalsContact O-CD 3.22Å; I259-P264 WeakPolarHBondContact O-CD 3.48Å; I259-P264 WeakPolarHBondContact O-CG 3.47Å; P264-L267 PolarHBondContact O-N 3.23Å; P264-I268 VanDerWaalsContact O-CG1 3.29Å; P264-I268 WeakPolarHBondContact O-CG1 3.3Å; P264-I268 PolarHBondContact O-N 3.04Å
265	S	96.9	Very high	95.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66.7	-39.4	175.9	52.1	0	0	0	0	111.8	M261 Y262 I263 I268 V269 W320	M261-S265 WeakPolarHBondContact O-CB 3.47Å; M261-S265 PolarHBondContact O-N 3Å; M261-S265 PolarHBondContact O-OG 2.86Å; Y262-S265 WeakPolarHBondContact CA-OG 3.4Å; Y262-S265 PolarHBondContact O-N 3.49Å; Y262-S265 PolarHBondContact O-OG 3.14Å; I263-S265 PolarHBondContact O-N 2.83Å; S265-I268 PolarHBondContact O-N 2.85Å; S265-V269 WeakPolarHBondContact O-CG2 3.42Å; S265-V269 PolarHBondContact O-N 2.92Å; S265-W320 PolarHBondContact OG-NE1 3.08Å
266	L	96.6	Very high	95.1	Very high	55 Å²	55	48.6 Å²	48.6	29%	0.288	24%	0.244	S	C	.	.	H	α-helix	trans	-61.9	-42.4	172.7	-178.4	144	0	0	0	111.8	Y262 I263 I268 V269 I270 F430	Y262-L266 VanDerWaalsContact O-CB 3.32Å; Y262-L266 WeakPolarHBondContact O-CB 3.23Å; Y262-L266 PolarHBondContact O-N 3.28Å; I263-L266 PolarHBondContact O-N 3.02Å; L266-I268 VanDerWaalsContact C-N 3.35Å; L266-I268 PolarHBondContact O-N 2.86Å; L266-V269 PolarHBondContact O-N 3.02Å; L266-I270 HydrophobicContact CD2-CD1 3.47Å; L266-I270 VanDerWaalsContact CD2-CD1 3.47Å; L266-I270 HydrophobicContact CD2-CG1 4.36Å; L266-I270 HydrophobicContact CG-CD1 4.32Å; L266-I270 WeakPolarHBondContact O-CG1 3.19Å; L266-I270 PolarHBondContact O-N 3.25Å; L266-F430 HydrophobicContact CD1-CE1 4.27Å; L266-F430 HydrophobicContact CG-CE1 4.25Å
267	L	96.6	Very high	95	Very high	102 Å²	102	51.3 Å²	51.3	53%	0.534	25%	0.254	S	S	.	.	H	α-helix	trans	-63.3	-38.5	175.6	-69.5	174.7	0	0	0	112.4	I263 P264 I270 L271	I263-L267 HydrophobicContact CG2-CD1 4.11Å; I263-L267 HydrophobicContact CG2-CG 4.44Å; I263-L267 WeakPolarHBondContact O-CG 3.27Å; I263-L267 PolarHBondContact O-N 2.88Å; P264-L267 PolarHBondContact O-N 3.23Å; L267-I270 PolarHBondContact O-N 3.38Å; L267-L271 VanDerWaalsContact O-CB 3.31Å; L267-L271 WeakPolarHBondContact O-CB 3.32Å; L267-L271 PolarHBondContact O-N 2.83Å
268	I	97.1	Very high	94.8	Very high	20 Å²	20	52.9 Å²	52.9	10%	0.103	26%	0.262	C	S	.	.	H	α-helix	trans	-63.8	-42.3	175.4	-68	161.1	0	0	0	110.8	P264 S265 L266 L271 S272 T293 T296 M297 V328	P264-I268 VanDerWaalsContact O-CG1 3.29Å; P264-I268 WeakPolarHBondContact O-CG1 3.3Å; P264-I268 PolarHBondContact O-N 3.04Å; S265-I268 PolarHBondContact O-N 2.85Å; L266-I268 VanDerWaalsContact C-N 3.35Å; L266-I268 PolarHBondContact O-N 2.86Å; I268-L271 PolarHBondContact O-N 3.17Å; I268-S272 PolarHBondContact O-N 3.38Å; I268-T293 HydrophobicContact CG2-CG2 4.38Å; I268-T296 HydrophobicContact CD1-CG2 3.55Å; I268-T296 HydrophobicContact CG1-CG2 4.14Å; I268-M297 HydrophobicContact CG2-CB 4.27Å; I268-V328 HydrophobicContact CG2-CG2 4.17Å
269	V	97.5	Very high	94.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.2	-46.7	175.5	174.8	0	0	0	0	110.5	S265 L266 L271 S272 W273 C324 F327 V328 F430	S265-V269 WeakPolarHBondContact O-CG2 3.42Å; S265-V269 PolarHBondContact O-N 2.92Å; L266-V269 PolarHBondContact O-N 3.02Å; V269-L271 VanDerWaalsContact C-N 3.31Å; V269-L271 PolarHBondContact O-N 3.23Å; V269-S272 WeakPolarHBondContact O-CB 3.24Å; V269-S272 PolarHBondContact O-N 3Å; V269-S272 VanDerWaalsContact O-N 3.15Å; V269-S272 PolarHBondContact O-OG 3.46Å; V269-W273 HydrophobicContact CG1-CZ2 3.62Å; V269-W273 VanDerWaalsContact O-CD1 3.31Å; V269-W273 PolarHBondContact O-N 3.35Å; V269-W273 PolarHBondContact O-NE1 3.4Å; V269-C324 HydrophobicContact CG2-CB 3.79Å; V269-F327 HydrophobicContact CG1-CB 4.18Å; V269-V328 HydrophobicContact CG2-CG2 4Å; V269-F430 HydrophobicContact CB-CE1 4.42Å; V269-F430 HydrophobicContact CB-CZ 4.24Å; V269-F430 HydrophobicContact CG1-CD1 4.15Å; V269-F430 HydrophobicContact CG1-CD2 4.15Å; V269-F430 HydrophobicContact CG1-CE1 4.07Å; V269-F430 HydrophobicContact CG1-CE2 4.09Å; V269-F430 HydrophobicContact CG1-CG 4.18Å; V269-F430 HydrophobicContact CG1-CZ 4.05Å; V269-F430 HydrophobicContact CG2-CE2 4.28Å; V269-F430 HydrophobicContact CG2-CZ 4.15Å
270	I	95.9	Very high	93.8	Very high	68 Å²	68	51.6 Å²	51.6	35%	0.349	26%	0.257	S	S	.	.	H	α-helix	trans	-60.6	-41.7	176.1	-67.3	173.1	0	0	0	111.3	L266 L267 S272 W273	L266-I270 HydrophobicContact CD2-CD1 3.47Å; L266-I270 VanDerWaalsContact CD2-CD1 3.47Å; L266-I270 HydrophobicContact CD2-CG1 4.36Å; L266-I270 HydrophobicContact CG-CD1 4.32Å; L266-I270 WeakPolarHBondContact O-CG1 3.19Å; L266-I270 PolarHBondContact O-N 3.25Å; L267-I270 PolarHBondContact O-N 3.38Å; I270-S272 PolarHBondContact O-N 3.44Å; I270-W273 HydrophobicContact CB-CE3 4.29Å; I270-W273 HydrophobicContact CB-CZ3 4.42Å; I270-W273 HydrophobicContact CG1-CE3 4.06Å; I270-W273 HydrophobicContact CG1-CH2 4.06Å; I270-W273 HydrophobicContact CG1-CZ3 3.7Å; I270-W273 HydrophobicContact CG2-CE3 4.33Å; I270-W273 WeakPolarHBondContact O-CB 3.42Å; I270-W273 PolarHBondContact O-N 3Å
271	L	95.2	Very high	93.3	Very high	86 Å²	86	52 Å²	52	45%	0.45	26%	0.262	S	S	.	.	H	α-helix	trans	-60.8	-36.3	178.3	-174.8	61.9	0	0	0	111.4	L267 I268 V269 W273 V274 T293	L267-L271 VanDerWaalsContact O-CB 3.31Å; L267-L271 WeakPolarHBondContact O-CB 3.32Å; L267-L271 PolarHBondContact O-N 2.83Å; I268-L271 PolarHBondContact O-N 3.17Å; V269-L271 VanDerWaalsContact C-N 3.31Å; V269-L271 PolarHBondContact O-N 3.23Å; L271-W273 PolarHBondContact O-N 3.29Å; L271-V274 HydrophobicContact CD1-CG2 4.3Å; L271-V274 VanDerWaalsContact O-CB 3.32Å; L271-V274 WeakPolarHBondContact O-CB 3.43Å; L271-V274 PolarHBondContact O-N 2.64Å; L271-V274 VanDerWaalsContact O-N 3.17Å; L271-T293 HydrophobicContact CB-CG2 4.36Å; L271-T293 HydrophobicContact CD2-CG2 4.06Å; L271-T293 HydrophobicContact CG-CG2 4.13Å
272	S	95.8	Very high	93.1	Very high	1 Å²	1	53 Å²	53	1%	0.007	27%	0.273	C	S	.	.	H	α-helix	trans	-60.5	-31.8	174.9	81.6	0	0	0	0	112.7	I268 V269 I270 V274 S275	I268-S272 PolarHBondContact O-N 3.38Å; V269-S272 WeakPolarHBondContact O-CB 3.24Å; V269-S272 PolarHBondContact O-N 3Å; V269-S272 VanDerWaalsContact O-N 3.15Å; V269-S272 PolarHBondContact O-OG 3.46Å; I270-S272 PolarHBondContact O-N 3.44Å; S272-V274 VanDerWaalsContact C-N 3.31Å; S272-V274 PolarHBondContact O-N 3.3Å; S272-S275 VanDerWaalsContact O-CB 3.3Å; S272-S275 WeakPolarHBondContact O-CB 3.34Å; S272-S275 PolarHBondContact O-N 2.7Å; S272-S275 PolarHBondContact O-OG 3.14Å
273	W	94.5	Very high	92.7	Very high	39 Å²	39	53.9 Å²	53.9	15%	0.148	28%	0.282	C	S	.	.	H	α-helix	trans	-73.5	-22	179.5	-51.6	-19.8	0	0	0	113.2	V269 I270 L271 S275 F276 P427 F430	V269-W273 HydrophobicContact CG1-CZ2 3.62Å; V269-W273 VanDerWaalsContact O-CD1 3.31Å; V269-W273 PolarHBondContact O-N 3.35Å; V269-W273 PolarHBondContact O-NE1 3.4Å; I270-W273 HydrophobicContact CB-CE3 4.29Å; I270-W273 HydrophobicContact CB-CZ3 4.42Å; I270-W273 HydrophobicContact CG1-CE3 4.06Å; I270-W273 HydrophobicContact CG1-CH2 4.06Å; I270-W273 HydrophobicContact CG1-CZ3 3.7Å; I270-W273 HydrophobicContact CG2-CE3 4.33Å; I270-W273 WeakPolarHBondContact O-CB 3.42Å; I270-W273 PolarHBondContact O-N 3Å; L271-W273 PolarHBondContact O-N 3.29Å; W273-S275 PolarHBondContact O-N 2.94Å; W273-F276 HydrophobicContact CB-CD2 3.99Å; W273-F276 HydrophobicContact CB-CE2 3.99Å; W273-F276 AromaticContact CD1-CE2 3.88Å; W273-F276 HydrophobicContact CG-CE2 4.17Å; W273-F276 WeakPolarHBondContact O-CB 3.32Å; W273-F276 VanDerWaalsContact O-CD2 3.31Å; W273-F276 WeakPolarHBondContact O-CD2 3.34Å; W273-F276 WeakPolarHBondContact O-CG 3.46Å; W273-F276 PolarHBondContact O-N 2.98Å; W273-P427 HydrophobicContact CD2-CG 4Å; W273-P427 HydrophobicContact CE3-CB 4.16Å; W273-P427 HydrophobicContact CE3-CG 3.73Å; W273-P427 HydrophobicContact CH2-CB 3.91Å; W273-P427 HydrophobicContact CH2-CG 4.28Å; W273-P427 HydrophobicContact CZ2-CB 4.43Å; W273-P427 HydrophobicContact CZ3-CB 3.75Å; W273-P427 HydrophobicContact CZ3-CG 3.87Å; W273-F430 HydrophobicContact CH2-CB 4.28Å; W273-F430 AromaticContact CH2-CD1 3.91Å; W273-F430 HydrophobicContact CH2-CD1 3.91Å; W273-F430 HydrophobicContact CH2-CG 4.44Å; W273-F430 HydrophobicContact CZ2-CB 3.8Å; W273-F430 AromaticContact CZ2-CD1 3.83Å; W273-F430 HydrophobicContact CZ2-CD1 3.83Å; W273-F430 AromaticContact CZ2-CG 3.99Å; W273-F430 HydrophobicContact CZ2-CG 3.99Å
274	V	92.6	Very high	92.4	Very high	67 Å²	67	54.5 Å²	54.5	41%	0.406	29%	0.292	S	S	.	.	H	α-helix	trans	-58.5	-28.9	174.2	-180	0	0	0	0	110.3	L271 S272 F276 W277 L289	L271-V274 HydrophobicContact CD1-CG2 4.3Å; L271-V274 VanDerWaalsContact O-CB 3.32Å; L271-V274 WeakPolarHBondContact O-CB 3.43Å; L271-V274 PolarHBondContact O-N 2.64Å; L271-V274 VanDerWaalsContact O-N 3.17Å; S272-V274 VanDerWaalsContact C-N 3.31Å; S272-V274 PolarHBondContact O-N 3.3Å; V274-F276 PolarHBondContact O-N 3.03Å; V274-W277 PolarHBondContact O-N 3.2Å; V274-L289 HydrophobicContact CB-CD1 4.45Å
275	S	91.6	Very high	92.2	Very high	4 Å²	4	54.6 Å²	54.6	3%	0.028	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-57.3	-32.2	175.7	72.9	0	0	0	0	113.7	S272 W273 W277 I278 R286	S272-S275 VanDerWaalsContact O-CB 3.3Å; S272-S275 WeakPolarHBondContact O-CB 3.34Å; S272-S275 PolarHBondContact O-N 2.7Å; S272-S275 PolarHBondContact O-OG 3.14Å; W273-S275 PolarHBondContact O-N 2.94Å; S275-W277 PolarHBondContact O-N 2.81Å; S275-I278 PolarHBondContact O-N 3.33Å; S275-R286 VanDerWaalsContact O-CZ 3.24Å; S275-R286 PolarHBondContact O-NE 3.42Å
276	F	92.1	Very high	92	Very high	1 Å²	1	54.7 Å²	54.7	0%	0.004	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-69.9	-17.3	179.7	-51.4	-39	0	0	0	113.4	W273 V274 A331 E334 R423 F426	W273-F276 HydrophobicContact CB-CD2 3.99Å; W273-F276 HydrophobicContact CB-CE2 3.99Å; W273-F276 AromaticContact CD1-CE2 3.88Å; W273-F276 HydrophobicContact CG-CE2 4.17Å; W273-F276 WeakPolarHBondContact O-CB 3.32Å; W273-F276 VanDerWaalsContact O-CD2 3.31Å; W273-F276 WeakPolarHBondContact O-CD2 3.34Å; W273-F276 WeakPolarHBondContact O-CG 3.46Å; W273-F276 PolarHBondContact O-N 2.98Å; V274-F276 PolarHBondContact O-N 3.03Å; F276-A331 HydrophobicContact CE1-CB 4.07Å; F276-A331 HydrophobicContact CZ-CB 3.84Å; F276-E334 HydrophobicContact CD1-CG 4.42Å; F276-E334 WeakPolarHBondContact CD1-OE2 3.34Å; F276-E334 HydrophobicContact CE1-CB 4.16Å; F276-E334 HydrophobicContact CE1-CG 3.91Å; F276-R423 HydrophobicContact CB-CG 3.82Å; F276-R423 PolarHBondContact O-NE 3.48Å; F276-R423 PolarHBondContact O-NH2 3.15Å; F276-F426 HydrophobicContact CE2-CB 3.97Å; F276-F426 HydrophobicContact CE2-CD1 4.25Å; F276-F426 HydrophobicContact CE2-CD2 4.18Å; F276-F426 AromaticContact CE2-CG 3.9Å; F276-F426 HydrophobicContact CE2-CG 3.9Å; F276-F426 HydrophobicContact CZ-CB 4.45Å; F276-F426 AromaticContact CZ-CD1 3.92Å; F276-F426 HydrophobicContact CZ-CD1 3.92Å; F276-F426 AromaticContact CZ-CD2 4Å; F276-F426 HydrophobicContact CZ-CD2 4Å; F276-F426 HydrophobicContact CZ-CE1 4.08Å; F276-F426 HydrophobicContact CZ-CE2 4.15Å; F276-F426 AromaticContact CZ-CG 3.88Å; F276-F426 HydrophobicContact CZ-CG 3.88Å; F276-F426 HydrophobicContact CZ-CZ 4.19Å
277	W	91.4	Very high	91.8	Very high	175 Å²	175	54.5 Å²	54.5	66%	0.663	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-92.5	-16.5	177.4	-65	89	0	0	0	112.3	V274 S275 R423	V274-W277 PolarHBondContact O-N 3.2Å; S275-W277 PolarHBondContact O-N 2.81Å; W277-R423 HydrophobicContact CZ2-CG 4.4Å
278	I	91.1	Very high	91.7	Very high	46 Å²	46	52.1 Å²	52.1	24%	0.236	29%	0.293	C	S	.	.	S	Bend	trans	-78.9	134.1	177.8	-59.9	174.8	0	0	0	109.6	S275 M280 A282 A285 R286 L289	S275-I278 PolarHBondContact O-N 3.33Å; I278-M280 PolarHBondContact O-N 2.93Å; I278-A282 HydrophobicContact CG2-CB 3.95Å; I278-A285 HydrophobicContact CG2-CB 4.41Å; I278-R286 HydrophobicContact CB-CG 3.84Å; I278-R286 HydrophobicContact CG2-CG 3.8Å; I278-R286 PolarHBondContact O-NH1 3.12Å; I278-L289 HydrophobicContact CD1-CD1 4.32Å
279	N	87.1	Confident	91.6	Very high	125 Å²	125	52.9 Å²	52.9	67%	0.668	30%	0.297	S	S	*	.			trans	-52.9	134.7	177.6	-68.6	-39.1	0	0	0	111.6	D281 A282	N279-D281 PolarHBondContact O-N 3.48Å; N279-D281 VanDerWaalsContact O-N 3.07Å; N279-A282 PolarHBondContact O-N 3.16Å
280	M	81.9	Confident	91.4	Very high	29 Å²	29	53.2 Å²	53.2	14%	0.143	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.6	-179.1	64	178	64.9	0	0	114.5	I278 A282 V338 A415 K416	I278-M280 PolarHBondContact O-N 2.93Å; M280-A282 VanDerWaalsContact C-N 3.35Å; M280-V338 HydrophobicContact CB-CG1 3.97Å; M280-V338 HydrophobicContact CE-CG1 4.33Å; M280-A415 HydrophobicContact CE-CB 3.77Å; M280-A415 HydrophobicContact SD-CB 4.31Å; M280-K416 HydrophobicContact CE-CG 3.94Å
281	D	82.5	Confident	91.4	Very high	114 Å²	114	54.5 Å²	54.5	61%	0.61	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-19	177.6	-69.4	-55.7	0	0	0	113.1	N279 A283 K346	N279-D281 PolarHBondContact O-N 3.48Å; N279-D281 VanDerWaalsContact O-N 3.07Å; D281-A283 PolarHBondContact O-N 3.02Å; D281-K346 IonicContact OD1-NZ 3.6Å; D281-K346 PolarHBondContact OD1-NZ 3.32Å
282	A	89.3	Confident	91.4	Very high	38 Å²	38	54.3 Å²	54.3	31%	0.314	31%	0.309	S	S	.	.			trans	-84.1	57	176.5	0	0	0	0	0	111.5	I278 N279 M280 P284 A285 R286	I278-A282 HydrophobicContact CG2-CB 3.95Å; N279-A282 PolarHBondContact O-N 3.16Å; M280-A282 VanDerWaalsContact C-N 3.35Å; A282-P284 VanDerWaalsContact C-CD 3.47Å; A282-A285 HydrophobicContact CB-CB 4.39Å; A282-A285 PolarHBondContact O-N 2.69Å; A282-A285 VanDerWaalsContact O-N 3.14Å; A282-R286 PolarHBondContact O-N 2.86Å
283	A	86.6	Confident	91.4	Very high	25 Å²	25	54.4 Å²	54.4	21%	0.207	31%	0.31	C	S	.	.	H	α-helix	trans	-51.8	-44.5	-177	0	0	0	0	0	114.6	D281 A285 R286 V287 Y335	D281-A283 PolarHBondContact O-N 3.02Å; A283-A285 VanDerWaalsContact C-N 3.3Å; A283-A285 PolarHBondContact O-N 3.5Å; A283-R286 PolarHBondContact O-N 3.09Å; A283-V287 VanDerWaalsContact O-CG2 3.29Å; A283-V287 WeakPolarHBondContact O-CG2 3.3Å; A283-V287 PolarHBondContact O-N 2.91Å; A283-V287 VanDerWaalsContact O-N 3.07Å; A283-Y335 WeakPolarHBondContact CA-OH 3.21Å; A283-Y335 WeakPolarHBondContact CB-OH 3.42Å; A283-Y335 PolarHBondContact O-OH 2.66Å
284	P	91.2	Very high	91.6	Very high	105 Å²	105	54 Å²	54	68%	0.682	31%	0.311	S	S	*	.	H	α-helix	trans	-60.3	-38	179.4	-24.4	35.4	0	0	0	113.2	A282 A288	A282-P284 VanDerWaalsContact C-CD 3.47Å; P284-A288 WeakPolarHBondContact O-CB 3.28Å; P284-A288 PolarHBondContact O-N 3.33Å
285	A	92.4	Very high	91.8	Very high	46 Å²	46	55.9 Å²	55.9	38%	0.38	32%	0.319	S	S	.	.	H	α-helix	trans	-69.5	-45.3	-178.2	0	0	0	0	0	112	I278 A282 A283 L289	I278-A285 HydrophobicContact CG2-CB 4.41Å; A282-A285 HydrophobicContact CB-CB 4.39Å; A282-A285 PolarHBondContact O-N 2.69Å; A282-A285 VanDerWaalsContact O-N 3.14Å; A283-A285 VanDerWaalsContact C-N 3.3Å; A283-A285 PolarHBondContact O-N 3.5Å; A285-L289 WeakPolarHBondContact O-CB 3.36Å; A285-L289 PolarHBondContact O-N 3.46Å
286	R	92.8	Very high	92	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.008	34%	0.336	C	S	.	.	H	α-helix	trans	-67.7	-41.4	179	-71.1	-176.3	76.8	163.5	-3.9	112.2	S275 I278 A282 A283 G290 E334 Y335 D419	S275-R286 VanDerWaalsContact O-CZ 3.24Å; S275-R286 PolarHBondContact O-NE 3.42Å; I278-R286 HydrophobicContact CB-CG 3.84Å; I278-R286 HydrophobicContact CG2-CG 3.8Å; I278-R286 PolarHBondContact O-NH1 3.12Å; A282-R286 PolarHBondContact O-N 2.86Å; A283-R286 PolarHBondContact O-N 3.09Å; R286-G290 PolarHBondContact O-N 3.12Å; R286-E334 IonicContact NH2-OE1 3.03Å; R286-E334 IonicContact NH2-OE2 2.78Å; R286-E334 PolarHBondContact NH2-OE2 2.95Å; R286-Y335 HydrophobicContact CB-CD1 4.43Å; R286-Y335 HydrophobicContact CB-CD2 3.58Å; R286-Y335 HydrophobicContact CB-CE2 3.66Å; R286-Y335 HydrophobicContact CB-CG 3.96Å; R286-Y335 HydrophobicContact CG-CD2 4.14Å; R286-Y335 HydrophobicContact CG-CE2 4.3Å; R286-Y335 VanDerWaalsContact NE-CD2 3.35Å; R286-D419 IonicContact CZ-OD1 3.71Å; R286-D419 IonicContact NH1-OD1 3.96Å; R286-D419 PolarHBondContact NH1-OD1 3.07Å; R286-D419 IonicContact NH1-OD2 3Å; R286-D419 IonicContact NH2-OD1 2.77Å; R286-D419 PolarHBondContact NH2-OD1 3.34Å
287	V	92.9	Very high	92.2	Very high	52 Å²	52	58.6 Å²	58.6	32%	0.315	34%	0.336	S	S	.	.	H	α-helix	trans	-64.2	-48.3	176.6	175	0	0	0	0	111.1	A283 G290 I291 Y335	A283-V287 VanDerWaalsContact O-CG2 3.29Å; A283-V287 WeakPolarHBondContact O-CG2 3.3Å; A283-V287 PolarHBondContact O-N 2.91Å; A283-V287 VanDerWaalsContact O-N 3.07Å; V287-G290 PolarHBondContact O-N 2.95Å; V287-I291 HydrophobicContact CG1-CD1 3.55Å; V287-I291 HydrophobicContact CG1-CG1 4.23Å; V287-I291 WeakPolarHBondContact O-CB 3.41Å; V287-I291 WeakPolarHBondContact O-CG1 3.23Å; V287-I291 PolarHBondContact O-N 3.4Å; V287-Y335 HydrophobicContact CB-CE1 4.47Å; V287-Y335 HydrophobicContact CG2-CD1 4.08Å; V287-Y335 HydrophobicContact CG2-CE1 3.22Å
288	A	94.3	Very high	92.4	Very high	52 Å²	52	53.4 Å²	53.4	43%	0.43	32%	0.323	S	S	.	.	H	α-helix	trans	-59.7	-49.7	-179.6	0	0	0	0	0	111.1	P284 G290 I291 T292	P284-A288 WeakPolarHBondContact O-CB 3.28Å; P284-A288 PolarHBondContact O-N 3.33Å; A288-G290 PolarHBondContact O-N 3.42Å; A288-I291 PolarHBondContact O-N 3.49Å; A288-T292 VanDerWaalsContact O-CB 3.31Å; A288-T292 WeakPolarHBondContact O-CB 3.41Å; A288-T292 PolarHBondContact O-N 2.92Å; A288-T292 PolarHBondContact O-OG1 3.23Å
289	L	94.1	Very high	92.6	Very high	36 Å²	36	55.2 Å²	55.2	19%	0.188	34%	0.336	C	S	.	.	H	α-helix	trans	-60.8	-43.3	178	-175.7	158.3	0	0	0	112	V274 I278 A285 T293	V274-L289 HydrophobicContact CB-CD1 4.45Å; I278-L289 HydrophobicContact CD1-CD1 4.32Å; A285-L289 WeakPolarHBondContact O-CB 3.36Å; A285-L289 PolarHBondContact O-N 3.46Å; L289-T293 HydrophobicContact CD2-CG2 4.21Å; L289-T293 WeakPolarHBondContact O-CB 3.5Å; L289-T293 VanDerWaalsContact O-CG2 3.3Å; L289-T293 WeakPolarHBondContact O-CG2 3.32Å; L289-T293 PolarHBondContact O-N 2.95Å; L289-T293 PolarHBondContact O-OG1 3.31Å
290	G	93.9	Very high	93	Very high	7 Å²	7	50.8 Å²	50.8	7%	0.072	31%	0.312	C	S	.	.	H	α-helix	trans	-64.7	-45.1	178.2	0	0	0	0	0	113.3	R286 V287 A288 T293 V294	R286-G290 PolarHBondContact O-N 3.12Å; V287-G290 PolarHBondContact O-N 2.95Å; A288-G290 PolarHBondContact O-N 3.42Å; G290-T293 PolarHBondContact O-OG1 2.95Å; G290-V294 WeakPolarHBondContact O-CG2 3.23Å; G290-V294 PolarHBondContact O-N 2.96Å; G290-V294 VanDerWaalsContact O-N 3.15Å
291	I	95.4	Very high	93.5	Very high	94 Å²	94	50.4 Å²	50.4	48%	0.482	31%	0.312	S	S	.	.	H	α-helix	trans	-67.3	-45.4	177.9	-67.3	174.9	0	0	0	110.8	V287 A288 T293 V294 L295	V287-I291 HydrophobicContact CG1-CD1 3.55Å; V287-I291 HydrophobicContact CG1-CG1 4.23Å; V287-I291 WeakPolarHBondContact O-CB 3.41Å; V287-I291 WeakPolarHBondContact O-CG1 3.23Å; V287-I291 PolarHBondContact O-N 3.4Å; A288-I291 PolarHBondContact O-N 3.49Å; I291-T293 VanDerWaalsContact C-N 3.35Å; I291-T293 PolarHBondContact O-N 3.08Å; I291-V294 PolarHBondContact O-N 3.31Å; I291-L295 WeakPolarHBondContact O-CB 3.49Å; I291-L295 PolarHBondContact O-N 3.2Å
292	T	96.4	Very high	94	Very high	82 Å²	82	47.9 Å²	47.9	50%	0.503	30%	0.303	S	S	.	.	H	α-helix	trans	-60.6	-44.7	179.5	-61.7	0	0	0	0	110.9	A288 V294 L295 T296	A288-T292 VanDerWaalsContact O-CB 3.31Å; A288-T292 WeakPolarHBondContact O-CB 3.41Å; A288-T292 PolarHBondContact O-N 2.92Å; A288-T292 PolarHBondContact O-OG1 3.23Å; T292-V294 PolarHBondContact O-N 2.67Å; T292-L295 PolarHBondContact O-N 3.42Å; T292-T296 WeakPolarHBondContact O-CB 3.5Å; T292-T296 PolarHBondContact O-N 3.48Å; T292-T296 PolarHBondContact O-OG1 3.36Å
293	T	96.5	Very high	94.1	Very high	4 Å²	4	48.1 Å²	48.1	3%	0.025	31%	0.31	C	S	.	.	H	α-helix	trans	-63.9	-41	178.3	48.4	0	0	0	0	112.7	I268 L271 L289 G290 I291 T296 M297 V328	I268-T293 HydrophobicContact CG2-CG2 4.38Å; L271-T293 HydrophobicContact CB-CG2 4.36Å; L271-T293 HydrophobicContact CD2-CG2 4.06Å; L271-T293 HydrophobicContact CG-CG2 4.13Å; L289-T293 HydrophobicContact CD2-CG2 4.21Å; L289-T293 WeakPolarHBondContact O-CB 3.5Å; L289-T293 VanDerWaalsContact O-CG2 3.3Å; L289-T293 WeakPolarHBondContact O-CG2 3.32Å; L289-T293 PolarHBondContact O-N 2.95Å; L289-T293 PolarHBondContact O-OG1 3.31Å; G290-T293 PolarHBondContact O-OG1 2.95Å; I291-T293 VanDerWaalsContact C-N 3.35Å; I291-T293 PolarHBondContact O-N 3.08Å; T293-T296 PolarHBondContact O-N 3.19Å; T293-M297 WeakPolarHBondContact O-CB 3.38Å; T293-M297 PolarHBondContact O-N 3.23Å; T293-V328 WeakPolarHBondContact OG1-CG1 3.15Å
294	V	96.9	Very high	94.2	Very high	29 Å²	29	47.3 Å²	47.3	18%	0.176	30%	0.302	C	S	.	.	H	α-helix	trans	-62	-45.9	174.2	172.2	0	0	0	0	111.1	G290 I291 T292 M297 T298 L325 V328 L332	G290-V294 WeakPolarHBondContact O-CG2 3.23Å; G290-V294 PolarHBondContact O-N 2.96Å; G290-V294 VanDerWaalsContact O-N 3.15Å; I291-V294 PolarHBondContact O-N 3.31Å; T292-V294 PolarHBondContact O-N 2.67Å; V294-M297 PolarHBondContact O-N 2.93Å; V294-T298 WeakPolarHBondContact O-CB 3.49Å; V294-T298 PolarHBondContact O-N 3.42Å; V294-T298 PolarHBondContact O-OG1 3.43Å; V294-L325 HydrophobicContact CG1-CD1 4.25Å; V294-V328 HydrophobicContact CB-CG1 4.4Å; V294-V328 HydrophobicContact CG2-CG1 3.72Å; V294-L332 HydrophobicContact CG2-CD2 4.43Å
295	L	96.8	Very high	94	Very high	107 Å²	107	48.3 Å²	48.3	56%	0.56	29%	0.292	S	S	*	.	H	α-helix	trans	-62.8	-47.8	178.7	178.4	62.2	0	0	0	111.1	I291 T292 M297 T298 T299	I291-L295 WeakPolarHBondContact O-CB 3.49Å; I291-L295 PolarHBondContact O-N 3.2Å; T292-L295 PolarHBondContact O-N 3.42Å; L295-M297 VanDerWaalsContact C-N 3.33Å; L295-M297 PolarHBondContact O-N 2.88Å; L295-T298 PolarHBondContact O-N 2.98Å; L295-T299 PolarHBondContact O-N 3.34Å; L295-T299 PolarHBondContact O-OG1 3.29Å
296	T	96.8	Very high	93.8	Very high	63 Å²	63	50.1 Å²	50.1	39%	0.387	31%	0.308	S	S	.	.	H	α-helix	trans	-60.2	-43.4	178.3	-55.9	0	0	0	0	111.1	I268 T292 T293 T298 T299 Q300	I268-T296 HydrophobicContact CD1-CG2 3.55Å; I268-T296 HydrophobicContact CG1-CG2 4.14Å; T292-T296 WeakPolarHBondContact O-CB 3.5Å; T292-T296 PolarHBondContact O-N 3.48Å; T292-T296 PolarHBondContact O-OG1 3.36Å; T293-T296 PolarHBondContact O-N 3.19Å; T296-T298 VanDerWaalsContact C-N 3.34Å; T296-T298 PolarHBondContact O-N 2.82Å; T296-T299 PolarHBondContact O-N 2.85Å; T296-Q300 WeakPolarHBondContact O-CB 3.38Å; T296-Q300 PolarHBondContact O-N 2.96Å
297	M	95.9	Very high	93.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.1	-40.1	177.2	-170.4	63.4	-159.4	0	0	112.2	I268 T293 V294 L295 Q300 S301 M321 C324 L325	I268-M297 HydrophobicContact CG2-CB 4.27Å; T293-M297 WeakPolarHBondContact O-CB 3.38Å; T293-M297 PolarHBondContact O-N 3.23Å; V294-M297 PolarHBondContact O-N 2.93Å; L295-M297 VanDerWaalsContact C-N 3.33Å; L295-M297 PolarHBondContact O-N 2.88Å; M297-Q300 PolarHBondContact O-N 3.45Å; M297-S301 WeakPolarHBondContact O-CB 3.2Å; M297-S301 PolarHBondContact O-N 3.33Å; M297-M321 HydrophobicContact CE-CB 4.01Å; M297-M321 HydrophobicContact CE-CE 3.76Å; M297-M321 HydrophobicContact CE-CG 4.36Å; M297-M321 VanDerWaalsContact CE-O 3.3Å; M297-M321 WeakPolarHBondContact CE-O 3.32Å; M297-M321 HydrophobicContact CE-SD 3.49Å; M297-M321 WeakPolarHBondContact CE-SD 3.39Å; M297-C324 HydrophobicContact CE-CB 3.25Å; M297-C324 HydrophobicContact SD-CB 3.99Å; M297-L325 HydrophobicContact CB-CD1 4.17Å; M297-L325 HydrophobicContact CG-CB 4.07Å; M297-L325 HydrophobicContact CG-CD1 4.08Å
298	T	95.6	Very high	93.2	Very high	66 Å²	66	51.3 Å²	51.3	41%	0.405	32%	0.317	S	S	.	.	H	α-helix	trans	-64.4	-44.4	176.6	-55.7	0	0	0	0	111.3	V294 L295 T296 S301 S302	V294-T298 WeakPolarHBondContact O-CB 3.49Å; V294-T298 PolarHBondContact O-N 3.42Å; V294-T298 PolarHBondContact O-OG1 3.43Å; L295-T298 PolarHBondContact O-N 2.98Å; T296-T298 VanDerWaalsContact C-N 3.34Å; T296-T298 PolarHBondContact O-N 2.82Å; T298-S301 PolarHBondContact O-N 2.98Å; T298-S302 PolarHBondContact O-N 3.3Å; T298-S302 PolarHBondContact O-OG 2.67Å
299	T	95.8	Very high	93.2	Very high	83 Å²	83	49.7 Å²	49.7	51%	0.509	30%	0.302	S	S	.	.	H	α-helix	trans	-63.6	-39.6	175.4	-59.6	0	0	0	0	111.8	L295 T296 S302 G303	L295-T299 PolarHBondContact O-N 3.34Å; L295-T299 PolarHBondContact O-OG1 3.29Å; T296-T299 PolarHBondContact O-N 2.85Å; T299-S302 PolarHBondContact O-N 2.93Å; T299-S302 PolarHBondContact O-OG 2.9Å; T299-G303 PolarHBondContact O-N 3.47Å
300	Q	94.3	Very high	93	Very high	33 Å²	33	58.5 Å²	58.5	15%	0.154	34%	0.339	C	S	.	.	H	α-helix	trans	-66.1	-40	176.3	-162.4	-174.1	7.5	0	0	111.4	M261 T296 M297 G303 S304 M321	M261-Q300 PolarHBondContact O-NE2 2.89Å; M261-Q300 VanDerWaalsContact O-NE2 3.07Å; T296-Q300 WeakPolarHBondContact O-CB 3.38Å; T296-Q300 PolarHBondContact O-N 2.96Å; M297-Q300 PolarHBondContact O-N 3.45Å; Q300-G303 PolarHBondContact O-N 3.4Å; Q300-S304 PolarHBondContact O-N 3.07Å; Q300-S304 PolarHBondContact O-OG 2.96Å; Q300-M321 VanDerWaalsContact C-CE 3.47Å; Q300-M321 HydrophobicContact CB-CE 3.81Å; Q300-M321 HydrophobicContact CG-CE 3.67Å
301	S	93.1	Very high	93	Very high	21 Å²	21	59.8 Å²	59.8	15%	0.147	35%	0.345	C	S	.	.	H	α-helix	trans	-67.1	-35	177.5	176.3	0	0	0	0	113.3	M297 T298 S304 R305 M321	M297-S301 WeakPolarHBondContact O-CB 3.2Å; M297-S301 PolarHBondContact O-N 3.33Å; T298-S301 PolarHBondContact O-N 2.98Å; S301-S304 PolarHBondContact O-OG 2.72Å; S301-S304 VanDerWaalsContact O-OG 3.08Å; S301-R305 WeakPolarHBondContact O-CG 3.24Å; S301-R305 PolarHBondContact O-NE 3.33Å; S301-M321 VanDerWaalsContact CA-CE 3.48Å; S301-M321 VanDerWaalsContact N-CE 3.34Å
302	S	92.3	Very high	92.9	Very high	60 Å²	60	61.3 Å²	61.3	42%	0.42	37%	0.365	S	S	.	.	H	α-helix	trans	-71.7	-41.2	172	59.7	0	0	0	0	111.4	T298 T299 S304 R305 A306	T298-S302 PolarHBondContact O-N 3.3Å; T298-S302 PolarHBondContact O-OG 2.67Å; T299-S302 PolarHBondContact O-N 2.93Å; T299-S302 PolarHBondContact O-OG 2.9Å; S302-S304 PolarHBondContact O-N 3.25Å; S302-R305 PolarHBondContact O-N 2.97Å; S302-R305 VanDerWaalsContact O-N 3.17Å; S302-A306 PolarHBondContact O-N 3.11Å
303	G	91.5	Very high	92.8	Very high	44 Å²	44	60.9 Å²	60.9	45%	0.454	35%	0.354	S	S	.	.	H	α-helix	trans	-58.9	-43.4	176.5	0	0	0	0	0	113.3	T299 Q300 R305 A306	T299-G303 PolarHBondContact O-N 3.47Å; Q300-G303 PolarHBondContact O-N 3.4Å; G303-R305 PolarHBondContact O-N 3.49Å; G303-A306 PolarHBondContact O-N 3.38Å
304	S	88.8	Confident	92.7	Very high	7 Å²	7	65.5 Å²	65.5	5%	0.049	38%	0.382	C	S	.	.	H	α-helix	trans	-65.9	-22.7	178.5	66	0	0	0	0	113.8	Q300 S301 S302	Q300-S304 PolarHBondContact O-N 3.07Å; Q300-S304 PolarHBondContact O-OG 2.96Å; S301-S304 PolarHBondContact O-OG 2.72Å; S301-S304 VanDerWaalsContact O-OG 3.08Å; S302-S304 PolarHBondContact O-N 3.25Å
305	R	88.3	Confident	92.6	Very high	126 Å²	126	64.7 Å²	64.7	48%	0.475	38%	0.376	S	S	.	.	H	α-helix	trans	-91.1	-15.1	178.9	-70.8	179.3	-69.3	160.6	-2.3	113.2	S301 S302 G303 S307 L308	S301-R305 WeakPolarHBondContact O-CG 3.24Å; S301-R305 PolarHBondContact O-NE 3.33Å; S302-R305 PolarHBondContact O-N 2.97Å; S302-R305 VanDerWaalsContact O-N 3.17Å; G303-R305 PolarHBondContact O-N 3.49Å; R305-S307 VanDerWaalsContact C-N 3.31Å; R305-S307 PolarHBondContact O-N 3.41Å; R305-L308 PolarHBondContact O-N 2.91Å
306	A	88.3	Confident	92.6	Very high	85 Å²	85	59.6 Å²	59.6	70%	0.702	35%	0.35	S	S	*	.	H	α-helix	trans	-68.7	-30.3	-176.8	0	0	0	0	0	113.1	S302 G303 L308	S302-A306 PolarHBondContact O-N 3.11Å; G303-A306 PolarHBondContact O-N 3.38Å; A306-L308 VanDerWaalsContact C-N 3.33Å
307	S	83.4	Confident	92.5	Very high	64 Å²	64	56.6 Å²	56.6	45%	0.448	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	3.1	178.8	54.8	0	0	0	0	114.1	R305	R305-S307 VanDerWaalsContact C-N 3.31Å; R305-S307 PolarHBondContact O-N 3.41Å
308	L	89.6	Confident	92.4	Very high	14 Å²	14	58.3 Å²	58.3	7%	0.073	34%	0.34	C	S	.	.	S	Bend	trans	-115.5	151.1	-176.3	-66.5	175.8	0	0	0	111.5	F179 R305 A306 K315	F179-L308 HydrophobicContact CD1-CD1 3.87Å; F179-L308 HydrophobicContact CD2-CD2 4.19Å; F179-L308 HydrophobicContact CE1-CD1 3.59Å; F179-L308 HydrophobicContact CE1-CD2 4.18Å; F179-L308 HydrophobicContact CE1-CG 4.4Å; F179-L308 HydrophobicContact CE2-CD2 3.7Å; F179-L308 HydrophobicContact CG-CD1 4.47Å; F179-L308 HydrophobicContact CZ-CD1 3.95Å; F179-L308 HydrophobicContact CZ-CD2 3.67Å; F179-L308 HydrophobicContact CZ-CG 4.27Å; R305-L308 PolarHBondContact O-N 2.91Å; A306-L308 VanDerWaalsContact C-N 3.33Å; L308-K315 HydrophobicContact CD1-CD 4.41Å
309	P	92.9	Very high	92.4	Very high	19 Å²	19	58.3 Å²	58.3	12%	0.123	34%	0.338	C	S	.	.			trans	-63.1	151.2	171.4	29.5	-36.1	0	0	0	110.6	E87 M90 L176 V311	E87-P309 WeakPolarHBondContact O-CD 3.5Å; E87-P309 WeakPolarHBondContact O-CG 3.41Å; M90-P309 HydrophobicContact CE-CB 4.36Å; M90-P309 HydrophobicContact CE-CG 4.14Å; L176-P309 HydrophobicContact CD1-CG 3.52Å; P309-V311 HydrophobicContact CG-CG1 4.2Å; P309-V311 PolarHBondContact O-N 3.39Å
310	K	91.1	Very high	92.5	Very high	220 Å²	220	54.5 Å²	54.5	96%	0.957	31%	0.314	S	S	*	.			trans	-74.6	89.4	175.5	-64.2	-179.8	-176	175.8	0	109.7
311	V	93.1	Very high	92.6	Very high	34 Å²	34	53 Å²	53	21%	0.206	31%	0.307	C	S	.	.			trans	-93.1	149.3	173.4	-62.1	0	0	0	0	111.2	M90 L176 P309 Y313 K315	M90-V311 HydrophobicContact CE-CG1 4.49Å; L176-V311 HydrophobicContact CD1-CG1 4.46Å; P309-V311 HydrophobicContact CG-CG1 4.2Å; P309-V311 PolarHBondContact O-N 3.39Å; V311-Y313 HydrophobicContact CB-CD1 4.34Å; V311-Y313 HydrophobicContact CB-CE1 3.96Å; V311-Y313 HydrophobicContact CB-CE2 4.22Å; V311-Y313 HydrophobicContact CG1-CE1 4.25Å; V311-Y313 HydrophobicContact CG2-CD2 4.3Å; V311-Y313 HydrophobicContact CG2-CE2 3.97Å; V311-K315 HydrophobicContact CG2-CD 3.86Å; V311-K315 HydrophobicContact CG2-CG 4.2Å
312	S	93.9	Very high	92.8	Very high	127 Å²	127	54.9 Å²	54.9	89%	0.888	32%	0.324	S	S	*	.	S	Bend	trans	-85.7	-18.3	-177.1	54.9	0	0	0	0	114.4
313	Y	94.4	Very high	93	Very high	72 Å²	72	53.5 Å²	53.5	28%	0.282	31%	0.313	S	S	.	.	S	Bend	trans	-92.6	159.2	-179.9	54	-100.7	0	0	0	112.6	L176 K177 V311 K315	L176-Y313 HydrophobicContact CB-CE2 4.3Å; L176-Y313 PolarHBondContact N-OH 2.92Å; K177-Y313 HydrophobicContact CG-CD2 3.83Å; K177-Y313 HydrophobicContact CG-CE2 3.88Å; K177-Y313 HydrophobicContact CG-CG 4.48Å; V311-Y313 HydrophobicContact CB-CD1 4.34Å; V311-Y313 HydrophobicContact CB-CE1 3.96Å; V311-Y313 HydrophobicContact CB-CE2 4.22Å; V311-Y313 HydrophobicContact CG1-CE1 4.25Å; V311-Y313 HydrophobicContact CG2-CD2 4.3Å; V311-Y313 HydrophobicContact CG2-CE2 3.97Å; Y313-K315 HydrophobicContact CD2-CG 4.39Å; Y313-K315 HydrophobicContact CE2-CG 4.22Å
314	V	94.3	Very high	93.3	Very high	101 Å²	101	51.4 Å²	51.4	61%	0.612	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-75.4	131.9	177.6	-178.5	0	0	0	0	110	D318 I319	V314-D318 HydrophobicContact CG1-CB 4.2Å; V314-I319 HydrophobicContact CG1-CD1 4.18Å; V314-I319 HydrophobicContact CG1-CG1 3.64Å
315	K	95.1	Very high	93.7	Very high	12 Å²	12	53.9 Å²	53.9	5%	0.052	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-101	160.1	175.6	-59.2	174.6	-66.1	-55.5	0	111.3	L176 K177 F179 L308 V311 Y313 I317 D318 I319	L176-K315 HydrophobicContact CB-CD 4.15Å; L176-K315 WeakPolarHBondContact O-CG 3.42Å; K177-K315 CarbonylContact O-C 3.34Å; K177-K315 WeakPolarHBondContact O-CA 3.38Å; F179-K315 HydrophobicContact CB-CD 4.46Å; L308-K315 HydrophobicContact CD1-CD 4.41Å; V311-K315 HydrophobicContact CG2-CD 3.86Å; V311-K315 HydrophobicContact CG2-CG 4.2Å; Y313-K315 HydrophobicContact CD2-CG 4.39Å; Y313-K315 HydrophobicContact CE2-CG 4.22Å; K315-I317 VanDerWaalsContact C-N 3.3Å; K315-I317 HydrophobicContact CB-CG2 4.14Å; K315-I317 PolarHBondContact O-N 3.47Å; K315-D318 WeakPolarHBondContact CE-OD2 3.35Å; K315-D318 PolarHBondContact N-OD2 2.86Å; K315-D318 VanDerWaalsContact N-OD2 3.12Å; K315-D318 IonicContact NZ-OD1 3.26Å; K315-D318 IonicContact NZ-OD2 3.4Å; K315-D318 PolarHBondContact NZ-OD2 3.24Å; K315-D318 WeakPolarHBondContact O-CB 3.19Å; K315-D318 PolarHBondContact O-N 2.9Å; K315-I319 PolarHBondContact O-N 2.9Å
316	A	95.2	Very high	94.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-54.8	-44.2	176.4	0	0	0	0	0	112.9	K177 F179 D318 I319 W320 Y437 Y441	K177-A316 PolarHBondContact O-N 2.89Å; F179-A316 WeakPolarHBondContact O-CB 3.35Å; A316-D318 VanDerWaalsContact C-N 3.27Å; A316-D318 PolarHBondContact O-N 3.08Å; A316-I319 PolarHBondContact O-N 3.27Å; A316-W320 PolarHBondContact O-N 3.11Å; A316-W320 VanDerWaalsContact O-N 3.08Å; A316-Y437 PolarHBondContact O-OH 3.41Å; A316-Y441 WeakPolarHBondContact CA-OH 3.24Å; A316-Y441 HydrophobicContact CB-CD1 3.92Å; A316-Y441 HydrophobicContact CB-CD2 4.37Å; A316-Y441 HydrophobicContact CB-CE1 3.32Å; A316-Y441 HydrophobicContact CB-CE2 3.85Å; A316-Y441 HydrophobicContact CB-CG 4.41Å; A316-Y441 WeakPolarHBondContact CB-OH 3.35Å
317	I	94.9	Very high	94.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.6	-34	174.8	-167.2	59.3	0	0	0	113	F179 M261 Y262 K315 I319 W320 M321	F179-I317 HydrophobicContact CD1-CB 4.13Å; F179-I317 HydrophobicContact CD1-CG2 3.67Å; F179-I317 HydrophobicContact CE1-CB 4.47Å; F179-I317 HydrophobicContact CE1-CG2 4.12Å; F179-I317 PolarHBondContact O-N 3.09Å; F179-I317 VanDerWaalsContact O-N 3.14Å; M261-I317 HydrophobicContact CB-CD1 4.41Å; M261-I317 HydrophobicContact SD-CD1 4.28Å; M261-I317 HydrophobicContact SD-CG1 4.39Å; Y262-I317 HydrophobicContact CE2-CD1 4.32Å; K315-I317 VanDerWaalsContact C-N 3.3Å; K315-I317 HydrophobicContact CB-CG2 4.14Å; K315-I317 PolarHBondContact O-N 3.47Å; I317-I319 VanDerWaalsContact C-N 3.34Å; I317-W320 PolarHBondContact O-N 2.95Å; I317-M321 HydrophobicContact CD1-CG 4.26Å; I317-M321 HydrophobicContact CG1-CG 4.21Å; I317-M321 WeakPolarHBondContact O-CB 3.37Å; I317-M321 VanDerWaalsContact O-CG 3.23Å; I317-M321 WeakPolarHBondContact O-CG 3.21Å; I317-M321 PolarHBondContact O-N 3.48Å
318	D	94.8	Very high	95.2	Very high	36 Å²	36	47.6 Å²	47.6	19%	0.193	26%	0.26	C	S	.	.	H	α-helix	trans	-68.1	-38.4	179.3	-62	-35	0	0	0	110.3	V314 K315 A316 M321 A322	V314-D318 HydrophobicContact CG1-CB 4.2Å; K315-D318 WeakPolarHBondContact CE-OD2 3.35Å; K315-D318 PolarHBondContact N-OD2 2.86Å; K315-D318 VanDerWaalsContact N-OD2 3.12Å; K315-D318 IonicContact NZ-OD1 3.26Å; K315-D318 IonicContact NZ-OD2 3.4Å; K315-D318 PolarHBondContact NZ-OD2 3.24Å; K315-D318 WeakPolarHBondContact O-CB 3.19Å; K315-D318 PolarHBondContact O-N 2.9Å; A316-D318 VanDerWaalsContact C-N 3.27Å; A316-D318 PolarHBondContact O-N 3.08Å; D318-M321 PolarHBondContact O-N 2.95Å; D318-A322 WeakPolarHBondContact O-CB 3.36Å; D318-A322 PolarHBondContact O-N 3.45Å
319	I	96.3	Very high	95.5	Very high	67 Å²	67	51.5 Å²	51.5	34%	0.344	28%	0.277	S	S	.	.	H	α-helix	trans	-63	-47.2	174.4	-59.7	-176.2	0	0	0	110.3	V314 K315 A316 I317 M321 A322 V323 Y441	V314-I319 HydrophobicContact CG1-CD1 4.18Å; V314-I319 HydrophobicContact CG1-CG1 3.64Å; K315-I319 PolarHBondContact O-N 2.9Å; A316-I319 PolarHBondContact O-N 3.27Å; I317-I319 VanDerWaalsContact C-N 3.34Å; I319-M321 PolarHBondContact O-N 3.14Å; I319-A322 PolarHBondContact O-N 3.47Å; I319-V323 HydrophobicContact CG2-CG2 4.39Å; I319-V323 WeakPolarHBondContact O-CB 3.36Å; I319-V323 VanDerWaalsContact O-CG2 3.32Å; I319-V323 WeakPolarHBondContact O-CG2 3.22Å; I319-V323 PolarHBondContact O-N 3.09Å; I319-Y441 WeakPolarHBondContact CD1-OH 3.44Å
320	W	97	Very high	95.7	Very high	2 Å²	2	52 Å²	52	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-56.8	-51.7	176.4	175.7	-92.9	0	0	0	111.9	Y262 S265 A316 I317 A322 V323 C324 F430 F433 N434 Y437	Y262-W320 AromaticContact CD1-CD2 3.56Å; Y262-W320 HydrophobicContact CD1-CD2 3.56Å; Y262-W320 AromaticContact CD1-CE2 3.41Å; Y262-W320 VanDerWaalsContact CD1-CE2 3.41Å; Y262-W320 AromaticContact CD1-CE3 3.97Å; Y262-W320 HydrophobicContact CD1-CE3 3.97Å; Y262-W320 HydrophobicContact CD1-CG 4Å; Y262-W320 HydrophobicContact CD1-CH2 4.1Å; Y262-W320 AromaticContact CD1-CZ2 3.71Å; Y262-W320 HydrophobicContact CD1-CZ2 3.71Å; Y262-W320 HydrophobicContact CD1-CZ3 4.22Å; Y262-W320 AromaticContact CD1-NE1 3.73Å; Y262-W320 HydrophobicContact CE1-CB 4.25Å; Y262-W320 AromaticContact CE1-CD2 3.54Å; Y262-W320 HydrophobicContact CE1-CD2 3.54Å; Y262-W320 AromaticContact CE1-CE2 3.92Å; Y262-W320 AromaticContact CE1-CE3 3.84Å; Y262-W320 HydrophobicContact CE1-CE3 3.84Å; Y262-W320 AromaticContact CE1-CG 3.7Å; Y262-W320 HydrophobicContact CE1-CG 3.7Å; Y262-W320 HydrophobicContact CE1-CZ3 4.44Å; S265-W320 PolarHBondContact OG-NE1 3.08Å; A316-W320 PolarHBondContact O-N 3.11Å; A316-W320 VanDerWaalsContact O-N 3.08Å; I317-W320 PolarHBondContact O-N 2.95Å; W320-A322 PolarHBondContact O-N 3.24Å; W320-V323 PolarHBondContact O-N 3.25Å; W320-C324 WeakPolarHBondContact O-CB 3.36Å; W320-C324 PolarHBondContact O-N 3.3Å; W320-C324 PolarHBondContact O-SG 2.6Å; W320-C324 VanDerWaalsContact O-SG 3.34Å; W320-F430 HydrophobicContact CH2-CZ 4.33Å; W320-F433 AromaticContact CE3-CE1 3.69Å; W320-F433 HydrophobicContact CE3-CE1 3.69Å; W320-F433 HydrophobicContact CE3-CZ 4.07Å; W320-F433 AromaticContact CZ3-CE1 3.83Å; W320-F433 HydrophobicContact CZ3-CE1 3.83Å; W320-N434 WeakPolarHBondContact CH2-OD1 3.28Å; W320-N434 WeakPolarHBondContact CZ3-OD1 3.28Å; W320-Y437 HydrophobicContact CB-CE2 4.01Å; W320-Y437 AromaticContact CE3-CD1 3.83Å; W320-Y437 HydrophobicContact CE3-CD1 3.83Å; W320-Y437 HydrophobicContact CE3-CD2 4.37Å; W320-Y437 AromaticContact CE3-CE1 3.89Å; W320-Y437 HydrophobicContact CE3-CE1 3.89Å; W320-Y437 HydrophobicContact CE3-CE2 4.4Å; W320-Y437 HydrophobicContact CE3-CG 4.1Å; W320-Y437 HydrophobicContact CZ3-CD1 4.15Å
321	M	96	Very high	95.8	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.015	24%	0.239	C	C	.	.	H	α-helix	trans	-66.9	-37.1	-178.1	-62.5	-59.4	-91.6	0	0	112.1	M297 Q300 S301 I317 D318 I319 L325	M297-M321 HydrophobicContact CE-CB 4.01Å; M297-M321 HydrophobicContact CE-CE 3.76Å; M297-M321 HydrophobicContact CE-CG 4.36Å; M297-M321 VanDerWaalsContact CE-O 3.3Å; M297-M321 WeakPolarHBondContact CE-O 3.32Å; M297-M321 HydrophobicContact CE-SD 3.49Å; M297-M321 WeakPolarHBondContact CE-SD 3.39Å; Q300-M321 VanDerWaalsContact C-CE 3.47Å; Q300-M321 HydrophobicContact CB-CE 3.81Å; Q300-M321 HydrophobicContact CG-CE 3.67Å; S301-M321 VanDerWaalsContact CA-CE 3.48Å; S301-M321 VanDerWaalsContact N-CE 3.34Å; I317-M321 HydrophobicContact CD1-CG 4.26Å; I317-M321 HydrophobicContact CG1-CG 4.21Å; I317-M321 WeakPolarHBondContact O-CB 3.37Å; I317-M321 VanDerWaalsContact O-CG 3.23Å; I317-M321 WeakPolarHBondContact O-CG 3.21Å; I317-M321 PolarHBondContact O-N 3.48Å; D318-M321 PolarHBondContact O-N 2.95Å; I319-M321 PolarHBondContact O-N 3.14Å; M321-L325 VanDerWaalsContact O-CB 3.29Å; M321-L325 WeakPolarHBondContact O-CB 3.5Å; M321-L325 PolarHBondContact O-N 3.45Å
322	A	96.7	Very high	95.9	Very high	60 Å²	60	42 Å²	42	50%	0.496	24%	0.239	S	C	.	.	H	α-helix	trans	-66	-43.7	176.9	0	0	0	0	0	112.1	D318 I319 W320 L325 L326	D318-A322 WeakPolarHBondContact O-CB 3.36Å; D318-A322 PolarHBondContact O-N 3.45Å; I319-A322 PolarHBondContact O-N 3.47Å; W320-A322 PolarHBondContact O-N 3.24Å; A322-L325 PolarHBondContact O-N 3.24Å; A322-L326 WeakPolarHBondContact O-CB 3.33Å; A322-L326 PolarHBondContact O-N 3.17Å
323	V	97.4	Very high	95.9	Very high	31 Å²	31	40.4 Å²	40.4	19%	0.188	22%	0.22	C	C	.	.	H	α-helix	trans	-66.9	-45.4	177.5	173.9	0	0	0	0	110.7	I319 W320 L325 L326 F327 F433	I319-V323 HydrophobicContact CG2-CG2 4.39Å; I319-V323 WeakPolarHBondContact O-CB 3.36Å; I319-V323 VanDerWaalsContact O-CG2 3.32Å; I319-V323 WeakPolarHBondContact O-CG2 3.22Å; I319-V323 PolarHBondContact O-N 3.09Å; W320-V323 PolarHBondContact O-N 3.25Å; V323-L325 VanDerWaalsContact C-N 3.32Å; V323-L325 PolarHBondContact O-N 3.33Å; V323-L326 WeakPolarHBondContact O-CB 3.37Å; V323-L326 PolarHBondContact O-N 2.95Å; V323-L326 VanDerWaalsContact O-N 3.11Å; V323-F327 HydrophobicContact CG1-CD2 3.76Å; V323-F327 HydrophobicContact CG1-CE2 3.68Å; V323-F327 WeakPolarHBondContact O-CD2 3.45Å; V323-F327 PolarHBondContact O-N 3.05Å; V323-F433 HydrophobicContact CB-CD2 4.49Å; V323-F433 HydrophobicContact CB-CE1 4.04Å; V323-F433 HydrophobicContact CB-CE2 3.92Å; V323-F433 HydrophobicContact CB-CZ 3.67Å; V323-F433 HydrophobicContact CG1-CD1 3.76Å; V323-F433 HydrophobicContact CG1-CD2 3.84Å; V323-F433 HydrophobicContact CG1-CE1 3.68Å; V323-F433 HydrophobicContact CG1-CE2 3.77Å; V323-F433 HydrophobicContact CG1-CG 3.84Å; V323-F433 HydrophobicContact CG1-CZ 3.68Å; V323-F433 HydrophobicContact CG2-CD2 4.37Å; V323-F433 HydrophobicContact CG2-CE2 3.73Å; V323-F433 HydrophobicContact CG2-CZ 3.93Å
324	C	97.8	Very high	95.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.3	-42.6	174.6	-74.3	0	0	0	0	111.9	V269 M297 W320 L326 F327 V328	V269-C324 HydrophobicContact CG2-CB 3.79Å; M297-C324 HydrophobicContact CE-CB 3.25Å; M297-C324 HydrophobicContact SD-CB 3.99Å; W320-C324 WeakPolarHBondContact O-CB 3.36Å; W320-C324 PolarHBondContact O-N 3.3Å; W320-C324 PolarHBondContact O-SG 2.6Å; W320-C324 VanDerWaalsContact O-SG 3.34Å; C324-L326 PolarHBondContact O-N 3.48Å; C324-F327 PolarHBondContact O-N 3.48Å; C324-V328 WeakPolarHBondContact O-CG2 3.43Å; C324-V328 PolarHBondContact O-N 3.36Å; C324-V328 VanDerWaalsContact O-N 3.11Å
325	L	96.9	Very high	95.7	Very high	59 Å²	59	33.3 Å²	33.3	31%	0.309	18%	0.182	S	C	.	.	H	α-helix	trans	-61.8	-41.7	174.1	-178.4	65.2	0	0	0	112	V294 M297 M321 A322 V323 F327 V328 F329	V294-L325 HydrophobicContact CG1-CD1 4.25Å; M297-L325 HydrophobicContact CB-CD1 4.17Å; M297-L325 HydrophobicContact CG-CB 4.07Å; M297-L325 HydrophobicContact CG-CD1 4.08Å; M321-L325 VanDerWaalsContact O-CB 3.29Å; M321-L325 WeakPolarHBondContact O-CB 3.5Å; M321-L325 PolarHBondContact O-N 3.45Å; A322-L325 PolarHBondContact O-N 3.24Å; V323-L325 VanDerWaalsContact C-N 3.32Å; V323-L325 PolarHBondContact O-N 3.33Å; L325-F327 PolarHBondContact O-N 3.29Å; L325-V328 PolarHBondContact O-N 3.15Å; L325-F329 VanDerWaalsContact O-CB 3.26Å; L325-F329 WeakPolarHBondContact O-CB 3.36Å; L325-F329 PolarHBondContact O-N 3.4Å
326	L	97.4	Very high	95.5	Very high	112 Å²	112	35 Å²	35	59%	0.586	20%	0.198	S	C	*	.	H	α-helix	trans	-60.2	-44	176.4	-178.6	68.4	0	0	0	111.7	A322 V323 C324 F329 A330	A322-L326 WeakPolarHBondContact O-CB 3.33Å; A322-L326 PolarHBondContact O-N 3.17Å; V323-L326 WeakPolarHBondContact O-CB 3.37Å; V323-L326 PolarHBondContact O-N 2.95Å; V323-L326 VanDerWaalsContact O-N 3.11Å; C324-L326 PolarHBondContact O-N 3.48Å; L326-F329 PolarHBondContact O-N 3.28Å; L326-A330 WeakPolarHBondContact O-CB 3.3Å; L326-A330 PolarHBondContact O-N 2.81Å
327	F	97.3	Very high	95.2	Very high	31 Å²	31	37.2 Å²	37.2	14%	0.136	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-44.7	177.9	-89.7	-85.3	0	0	0	112.4	V269 V323 C324 L325 A330 A331 F426 A429 F430	V269-F327 HydrophobicContact CG1-CB 4.18Å; V323-F327 HydrophobicContact CG1-CD2 3.76Å; V323-F327 HydrophobicContact CG1-CE2 3.68Å; V323-F327 WeakPolarHBondContact O-CD2 3.45Å; V323-F327 PolarHBondContact O-N 3.05Å; C324-F327 PolarHBondContact O-N 3.48Å; L325-F327 PolarHBondContact O-N 3.29Å; F327-A330 PolarHBondContact O-N 3.34Å; F327-A331 PolarHBondContact O-N 3.48Å; F327-F426 AromaticContact CD1-CD1 3.99Å; F327-F426 HydrophobicContact CD1-CD1 3.99Å; F327-A429 HydrophobicContact CE1-CB 4.06Å; F327-A429 HydrophobicContact CZ-CB 4.01Å; F327-F430 HydrophobicContact CD1-CB 4.33Å; F327-F430 HydrophobicContact CD1-CD2 4.4Å; F327-F430 AromaticContact CD2-CD2 3.7Å; F327-F430 HydrophobicContact CD2-CD2 3.7Å; F327-F430 HydrophobicContact CD2-CE2 4.3Å; F327-F430 HydrophobicContact CE1-CB 3.9Å; F327-F430 HydrophobicContact CE1-CD2 4.43Å; F327-F430 HydrophobicContact CE2-CB 4.47Å; F327-F430 AromaticContact CE2-CD2 3.75Å; F327-F430 HydrophobicContact CE2-CD2 3.75Å; F327-F430 HydrophobicContact CG-CD2 4.05Å; F327-F430 HydrophobicContact CZ-CB 3.98Å; F327-F430 HydrophobicContact CZ-CD2 4.13Å
328	V	97.2	Very high	94.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.4	-42.1	178.2	177.3	0	0	0	0	110.8	I268 V269 T293 V294 C324 L325 A331 L332	I268-V328 HydrophobicContact CG2-CG2 4.17Å; V269-V328 HydrophobicContact CG2-CG2 4Å; T293-V328 WeakPolarHBondContact OG1-CG1 3.15Å; V294-V328 HydrophobicContact CB-CG1 4.4Å; V294-V328 HydrophobicContact CG2-CG1 3.72Å; C324-V328 WeakPolarHBondContact O-CG2 3.43Å; C324-V328 PolarHBondContact O-N 3.36Å; C324-V328 VanDerWaalsContact O-N 3.11Å; L325-V328 PolarHBondContact O-N 3.15Å; V328-A331 WeakPolarHBondContact O-CB 3.35Å; V328-A331 PolarHBondContact O-N 2.88Å; V328-L332 PolarHBondContact O-N 3.43Å
329	F	96.5	Very high	94.5	Very high	96 Å²	96	37.2 Å²	37.2	42%	0.421	22%	0.217	S	C	.	.	H	α-helix	trans	-65.3	-40.1	175.3	-176.4	-109.1	0	0	0	112.2	L325 L326 A331 L332 L333	L325-F329 VanDerWaalsContact O-CB 3.26Å; L325-F329 WeakPolarHBondContact O-CB 3.36Å; L325-F329 PolarHBondContact O-N 3.4Å; L326-F329 PolarHBondContact O-N 3.28Å; F329-A331 VanDerWaalsContact C-N 3.29Å; F329-A331 PolarHBondContact O-N 2.84Å; F329-L332 WeakPolarHBondContact O-CB 3.29Å; F329-L332 PolarHBondContact O-N 2.97Å; F329-L332 VanDerWaalsContact O-N 3.13Å; F329-L333 HydrophobicContact CD1-CD1 3.89Å; F329-L333 HydrophobicContact CD1-CG 4.22Å; F329-L333 HydrophobicContact CE1-CD1 3.49Å; F329-L333 VanDerWaalsContact CE1-CD1 3.49Å; F329-L333 HydrophobicContact CE1-CD2 4.29Å; F329-L333 HydrophobicContact CE1-CG 3.88Å; F329-L333 HydrophobicContact CZ-CD1 4.18Å; F329-L333 HydrophobicContact CZ-CD2 4.14Å; F329-L333 HydrophobicContact CZ-CG 4.14Å; F329-L333 PolarHBondContact O-N 3.3Å
330	A	96.2	Very high	94.1	Very high	30 Å²	30	39.8 Å²	39.8	25%	0.248	23%	0.226	C	C	.	.	H	α-helix	trans	-63.1	-34.3	175.4	0	0	0	0	0	112.2	L326 F327 L332 L333 E334 F426	L326-A330 WeakPolarHBondContact O-CB 3.3Å; L326-A330 PolarHBondContact O-N 2.81Å; F327-A330 PolarHBondContact O-N 3.34Å; A330-L332 VanDerWaalsContact C-N 3.35Å; A330-L333 PolarHBondContact O-N 3.44Å; A330-E334 WeakPolarHBondContact O-CB 3.48Å; A330-E334 PolarHBondContact O-N 3.45Å; A330-F426 HydrophobicContact CB-CE1 3.7Å; A330-F426 HydrophobicContact CB-CZ 3.94Å
331	A	94.4	Very high	93.5	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.033	23%	0.234	C	C	.	.	H	α-helix	trans	-65.2	-36.6	172.8	0	0	0	0	0	112.3	F276 F327 V328 F329 E334 Y335 F426	F276-A331 HydrophobicContact CE1-CB 4.07Å; F276-A331 HydrophobicContact CZ-CB 3.84Å; F327-A331 PolarHBondContact O-N 3.48Å; V328-A331 WeakPolarHBondContact O-CB 3.35Å; V328-A331 PolarHBondContact O-N 2.88Å; F329-A331 VanDerWaalsContact C-N 3.29Å; F329-A331 PolarHBondContact O-N 2.84Å; A331-E334 WeakPolarHBondContact O-CB 3.4Å; A331-Y335 PolarHBondContact O-N 3Å; A331-F426 HydrophobicContact CB-CE1 4.4Å
332	L	93.6	Very high	92.7	Very high	38 Å²	38	41.7 Å²	41.7	20%	0.199	24%	0.238	C	C	.	.	H	α-helix	trans	-67.6	-41.6	173.2	-179.2	64.9	0	0	0	112	V294 V328 F329 A330 E334 Y335 A336	V294-L332 HydrophobicContact CG2-CD2 4.43Å; V328-L332 PolarHBondContact O-N 3.43Å; F329-L332 WeakPolarHBondContact O-CB 3.29Å; F329-L332 PolarHBondContact O-N 2.97Å; F329-L332 VanDerWaalsContact O-N 3.13Å; A330-L332 VanDerWaalsContact C-N 3.35Å; L332-E334 VanDerWaalsContact C-N 3.35Å; L332-Y335 PolarHBondContact O-N 3.3Å; L332-A336 PolarHBondContact O-N 3.4Å
333	L	94.1	Very high	92	Very high	94 Å²	94	46 Å²	46	49%	0.492	24%	0.242	S	C	.	.	H	α-helix	trans	-65	-37.8	175.7	-72.6	-177.7	0	0	0	112.5	F329 A330 Y335 A336 A337	F329-L333 HydrophobicContact CD1-CD1 3.89Å; F329-L333 HydrophobicContact CD1-CG 4.22Å; F329-L333 HydrophobicContact CE1-CD1 3.49Å; F329-L333 VanDerWaalsContact CE1-CD1 3.49Å; F329-L333 HydrophobicContact CE1-CD2 4.29Å; F329-L333 HydrophobicContact CE1-CG 3.88Å; F329-L333 HydrophobicContact CZ-CD1 4.18Å; F329-L333 HydrophobicContact CZ-CD2 4.14Å; F329-L333 HydrophobicContact CZ-CG 4.14Å; F329-L333 PolarHBondContact O-N 3.3Å; A330-L333 PolarHBondContact O-N 3.44Å; L333-Y335 VanDerWaalsContact C-N 3.33Å; L333-Y335 PolarHBondContact O-N 2.97Å; L333-A336 WeakPolarHBondContact O-CB 3.5Å; L333-A336 PolarHBondContact O-N 3.38Å; L333-A337 PolarHBondContact O-N 2.9Å
334	E	94.4	Very high	91	Very high	14 Å²	14	50.1 Å²	50.1	7%	0.065	26%	0.259	C	S	.	.	H	α-helix	trans	-56.3	-49.9	173.5	-174.7	-77.6	160.1	0	0	110.3	F276 R286 A330 A331 L332 A336 A337 V338 I418 S422	F276-E334 HydrophobicContact CD1-CG 4.42Å; F276-E334 WeakPolarHBondContact CD1-OE2 3.34Å; F276-E334 HydrophobicContact CE1-CB 4.16Å; F276-E334 HydrophobicContact CE1-CG 3.91Å; R286-E334 IonicContact NH2-OE1 3.03Å; R286-E334 IonicContact NH2-OE2 2.78Å; R286-E334 PolarHBondContact NH2-OE2 2.95Å; A330-E334 WeakPolarHBondContact O-CB 3.48Å; A330-E334 PolarHBondContact O-N 3.45Å; A331-E334 WeakPolarHBondContact O-CB 3.4Å; L332-E334 VanDerWaalsContact C-N 3.35Å; E334-A336 VanDerWaalsContact C-N 3.33Å; E334-A336 PolarHBondContact O-N 3.14Å; E334-A337 WeakPolarHBondContact O-CB 3.34Å; E334-A337 PolarHBondContact O-N 3.26Å; E334-A337 VanDerWaalsContact O-N 3.17Å; E334-V338 WeakPolarHBondContact O-CG2 3.29Å; E334-V338 PolarHBondContact O-N 3.21Å; E334-V338 VanDerWaalsContact OE1-CG2 3.28Å; E334-V338 WeakPolarHBondContact OE1-CG2 3.45Å; E334-I418 HydrophobicContact CG-CG2 4.39Å; E334-S422 WeakPolarHBondContact CG-OG 3.37Å
335	Y	90.7	Very high	89.8	Confident	10 Å²	10	51.2 Å²	51.2	4%	0.039	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-40.8	176.7	166.2	-101.4	0	0	0	112	A283 R286 V287 A331 L332 L333 A337 V338 N339	A283-Y335 WeakPolarHBondContact CA-OH 3.21Å; A283-Y335 WeakPolarHBondContact CB-OH 3.42Å; A283-Y335 PolarHBondContact O-OH 2.66Å; R286-Y335 HydrophobicContact CB-CD1 4.43Å; R286-Y335 HydrophobicContact CB-CD2 3.58Å; R286-Y335 HydrophobicContact CB-CE2 3.66Å; R286-Y335 HydrophobicContact CB-CG 3.96Å; R286-Y335 HydrophobicContact CG-CD2 4.14Å; R286-Y335 HydrophobicContact CG-CE2 4.3Å; R286-Y335 VanDerWaalsContact NE-CD2 3.35Å; V287-Y335 HydrophobicContact CB-CE1 4.47Å; V287-Y335 HydrophobicContact CG2-CD1 4.08Å; V287-Y335 HydrophobicContact CG2-CE1 3.22Å; A331-Y335 PolarHBondContact O-N 3Å; L332-Y335 PolarHBondContact O-N 3.3Å; L333-Y335 VanDerWaalsContact C-N 3.33Å; L333-Y335 PolarHBondContact O-N 2.97Å; Y335-A337 VanDerWaalsContact C-N 3.28Å; Y335-A337 PolarHBondContact O-N 3.21Å; Y335-V338 PolarHBondContact O-N 2.97Å; Y335-N339 HydrophobicContact CE1-CB 4.37Å; Y335-N339 HydrophobicContact CE2-CB 4.12Å; Y335-N339 VanDerWaalsContact O-CB 3.3Å; Y335-N339 WeakPolarHBondContact O-CB 3.49Å; Y335-N339 PolarHBondContact O-N 3.43Å
336	A	90.4	Very high	88.6	Confident	48 Å²	48	53 Å²	53	40%	0.397	27%	0.269	S	S	.	.	H	α-helix	trans	-59.3	-41.6	176.3	0	0	0	0	0	111.4	L332 L333 E334 F340	L332-A336 PolarHBondContact O-N 3.4Å; L333-A336 WeakPolarHBondContact O-CB 3.5Å; L333-A336 PolarHBondContact O-N 3.38Å; E334-A336 VanDerWaalsContact C-N 3.33Å; E334-A336 PolarHBondContact O-N 3.14Å; A336-F340 VanDerWaalsContact O-CB 3.28Å; A336-F340 WeakPolarHBondContact O-CB 3.36Å; A336-F340 PolarHBondContact O-N 3.02Å
337	A	89.3	Confident	87.7	Confident	47 Å²	47	52 Å²	52	39%	0.388	26%	0.261	S	S	.	.	H	α-helix	trans	-65.1	-46.5	175	0	0	0	0	0	112	L333 E334 Y335 N339 F340 V341	L333-A337 PolarHBondContact O-N 2.9Å; E334-A337 WeakPolarHBondContact O-CB 3.34Å; E334-A337 PolarHBondContact O-N 3.26Å; E334-A337 VanDerWaalsContact O-N 3.17Å; Y335-A337 VanDerWaalsContact C-N 3.28Å; Y335-A337 PolarHBondContact O-N 3.21Å; A337-N339 PolarHBondContact O-N 3.48Å; A337-F340 PolarHBondContact O-N 2.95Å; A337-V341 VanDerWaalsContact O-CG2 3.31Å; A337-V341 WeakPolarHBondContact O-CG2 3.26Å; A337-V341 PolarHBondContact O-N 3.36Å
338	V	88.1	Confident	86.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.8	-45.8	176.7	171.4	0	0	0	0	111.2	M280 E334 Y335 V341 S342 I418	M280-V338 HydrophobicContact CB-CG1 3.97Å; M280-V338 HydrophobicContact CE-CG1 4.33Å; E334-V338 WeakPolarHBondContact O-CG2 3.29Å; E334-V338 PolarHBondContact O-N 3.21Å; E334-V338 VanDerWaalsContact OE1-CG2 3.28Å; E334-V338 WeakPolarHBondContact OE1-CG2 3.45Å; Y335-V338 PolarHBondContact O-N 2.97Å; V338-V341 PolarHBondContact O-N 2.87Å; V338-S342 VanDerWaalsContact O-CB 3.25Å; V338-S342 WeakPolarHBondContact O-CB 3.39Å; V338-S342 PolarHBondContact O-N 3.34Å; V338-I418 HydrophobicContact CG2-CB 4.24Å; V338-I418 HydrophobicContact CG2-CG2 3.86Å
339	N	87.6	Confident	85.3	Confident	35 Å²	35	57.3 Å²	57.3	19%	0.187	29%	0.286	C	S	.	.	H	α-helix	trans	-67.5	-39	178.5	-177.3	35.3	0	0	0	111.8	Y335 A337 S342 R343	Y335-N339 HydrophobicContact CE1-CB 4.37Å; Y335-N339 HydrophobicContact CE2-CB 4.12Å; Y335-N339 VanDerWaalsContact O-CB 3.3Å; Y335-N339 WeakPolarHBondContact O-CB 3.49Å; Y335-N339 PolarHBondContact O-N 3.43Å; A337-N339 PolarHBondContact O-N 3.48Å; N339-S342 PolarHBondContact O-N 3.04Å; N339-R343 VanDerWaalsContact O-CB 3.28Å; N339-R343 WeakPolarHBondContact O-CB 3.31Å; N339-R343 VanDerWaalsContact O-CG 3.28Å; N339-R343 WeakPolarHBondContact O-CG 3.41Å; N339-R343 PolarHBondContact O-N 3.21Å; N339-R343 PolarHBondContact OD1-NE 2.92Å
340	F	87.3	Confident	84.3	Confident	122 Å²	122	59.7 Å²	59.7	54%	0.535	29%	0.292	S	S	.	.	H	α-helix	trans	-62.3	-48.2	175.1	179.2	-99.4	0	0	0	111.6	A336 A337 S342 R343 Q344	A336-F340 VanDerWaalsContact O-CB 3.28Å; A336-F340 WeakPolarHBondContact O-CB 3.36Å; A336-F340 PolarHBondContact O-N 3.02Å; A337-F340 PolarHBondContact O-N 2.95Å; F340-S342 VanDerWaalsContact C-N 3.33Å; F340-S342 PolarHBondContact O-N 3.01Å; F340-R343 PolarHBondContact O-N 3.47Å; F340-Q344 HydrophobicContact CD1-CG 4.28Å; F340-Q344 VanDerWaalsContact CE1-CD 3.45Å; F340-Q344 HydrophobicContact CE1-CG 3.83Å; F340-Q344 HydrophobicContact CE2-CG 4.13Å; F340-Q344 VanDerWaalsContact CZ-CD 3.47Å; F340-Q344 HydrophobicContact CZ-CG 3.75Å; F340-Q344 PolarHBondContact O-N 3.17Å
341	V	84	Confident	83.4	Confident	31 Å²	31	62.8 Å²	62.8	19%	0.188	30%	0.304	C	S	.	.	H	α-helix	trans	-61.8	-41.8	176.8	173.8	0	0	0	0	110.9	A337 V338 H345 A415	A337-V341 VanDerWaalsContact O-CG2 3.31Å; A337-V341 WeakPolarHBondContact O-CG2 3.26Å; A337-V341 PolarHBondContact O-N 3.36Å; V338-V341 PolarHBondContact O-N 2.87Å; V341-H345 WeakPolarHBondContact O-CB 3.21Å; V341-H345 PolarHBondContact O-N 3.28Å; V341-H345 VanDerWaalsContact O-N 3.15Å; V341-A415 HydrophobicContact CG1-CB 4.44Å
342	S	80.7	Confident	82.4	Confident	13 Å²	13	66.3 Å²	66.3	9%	0.091	32%	0.317	C	S	.	.	H	α-helix	trans	-66	-37.3	176.1	-176.3	0	0	0	0	112.9	V338 N339 F340 H345 K346	V338-S342 VanDerWaalsContact O-CB 3.25Å; V338-S342 WeakPolarHBondContact O-CB 3.39Å; V338-S342 PolarHBondContact O-N 3.34Å; N339-S342 PolarHBondContact O-N 3.04Å; F340-S342 VanDerWaalsContact C-N 3.33Å; F340-S342 PolarHBondContact O-N 3.01Å; S342-H345 WeakPolarHBondContact O-CB 3.27Å; S342-H345 PolarHBondContact O-N 3.01Å; S342-K346 PolarHBondContact O-N 3.05Å
343	R	80.4	Confident	81.5	Confident	151 Å²	151	72.2 Å²	72.2	57%	0.57	34%	0.336	S	S	*	.	H	α-helix	trans	-74.1	-44.3	177.4	-78.2	-179.1	177.2	-137.6	0	112.9	N339 F340 H345 K346 E347	N339-R343 VanDerWaalsContact O-CB 3.28Å; N339-R343 WeakPolarHBondContact O-CB 3.31Å; N339-R343 VanDerWaalsContact O-CG 3.28Å; N339-R343 WeakPolarHBondContact O-CG 3.41Å; N339-R343 PolarHBondContact O-N 3.21Å; N339-R343 PolarHBondContact OD1-NE 2.92Å; F340-R343 PolarHBondContact O-N 3.47Å; R343-H345 PolarHBondContact O-N 2.68Å; R343-K346 PolarHBondContact O-N 3.44Å; R343-E347 PolarHBondContact O-N 3.3Å
344	Q	77.8	Confident	80.7	Confident	118 Å²	118	76 Å²	76	55%	0.551	34%	0.344	S	S	*	.	H	α-helix	trans	-54.8	-37.7	172.1	-78.6	-151.3	-44.8	0	0	110.8	F340 F348	F340-Q344 HydrophobicContact CD1-CG 4.28Å; F340-Q344 VanDerWaalsContact CE1-CD 3.45Å; F340-Q344 HydrophobicContact CE1-CG 3.83Å; F340-Q344 HydrophobicContact CE2-CG 4.13Å; F340-Q344 VanDerWaalsContact CZ-CD 3.47Å; F340-Q344 HydrophobicContact CZ-CG 3.75Å; F340-Q344 PolarHBondContact O-N 3.17Å; Q344-F348 VanDerWaalsContact O-CB 3.3Å; Q344-F348 WeakPolarHBondContact O-CB 3.34Å; Q344-F348 PolarHBondContact O-N 2.88Å
345	H	71.2	Confident	79.9	Confident	22 Å²	22	81 Å²	81	10%	0.102	37%	0.367	C	S	.	.	H	α-helix	trans	-64.3	-49.1	173.3	179.5	64.1	0	0	0	113.1	V341 S342 R343 E347 F348 L349 K408	V341-H345 WeakPolarHBondContact O-CB 3.21Å; V341-H345 PolarHBondContact O-N 3.28Å; V341-H345 VanDerWaalsContact O-N 3.15Å; S342-H345 WeakPolarHBondContact O-CB 3.27Å; S342-H345 PolarHBondContact O-N 3.01Å; R343-H345 PolarHBondContact O-N 2.68Å; H345-E347 VanDerWaalsContact C-N 3.32Å; H345-E347 PolarHBondContact O-N 3.29Å; H345-F348 PolarHBondContact O-N 3.36Å; H345-L349 WeakPolarHBondContact CE1-CD1 3.47Å; H345-L349 WeakPolarHBondContact ND1-CD1 3.2Å; H345-L349 WeakPolarHBondContact NE2-CD1 3.41Å; H345-L349 WeakPolarHBondContact O-CD1 3.44Å; H345-L349 PolarHBondContact O-N 2.89Å; H345-K408 VanDerWaalsContact CE1-CA 3.5Å; H345-K408 WeakPolarHBondContact CE1-CA 3.44Å
346	K	73.2	Confident	78.9	Confident	97 Å²	97	85 Å²	85	42%	0.422	39%	0.385	S	S	.	.	H	α-helix	trans	-59.4	-40.9	177.4	-74.3	176.6	-176.2	174.4	0	111.8	D281 S342 R343 R350	D281-K346 IonicContact OD1-NZ 3.6Å; D281-K346 PolarHBondContact OD1-NZ 3.32Å; S342-K346 PolarHBondContact O-N 3.05Å; R343-K346 PolarHBondContact O-N 3.44Å; K346-R350 VanDerWaalsContact O-CG 3.27Å; K346-R350 WeakPolarHBondContact O-CG 3.49Å; K346-R350 PolarHBondContact O-N 3.03Å
347	E	76.8	Confident	78.2	Confident	91 Å²	91	91.4 Å²	91.4	43%	0.425	40%	0.399	S	S	.	.	H	α-helix	trans	-70.7	-44.5	177.7	-74	-58.1	130.8	0	0	113	R343 H345 L349 R350 L351	R343-E347 PolarHBondContact O-N 3.3Å; H345-E347 VanDerWaalsContact C-N 3.32Å; H345-E347 PolarHBondContact O-N 3.29Å; E347-L349 VanDerWaalsContact C-N 3.27Å; E347-L349 PolarHBondContact O-N 3.49Å; E347-R350 WeakPolarHBondContact O-CB 3.33Å; E347-R350 PolarHBondContact O-N 2.95Å; E347-R350 WeakPolarHBondContact OE1-CD 3.31Å; E347-R350 IonicContact OE1-CZ 2.62Å; E347-R350 IonicContact OE1-NE 2.78Å; E347-R350 IonicContact OE1-NH1 3.81Å; E347-R350 PolarHBondContact OE1-NH1 3.06Å; E347-L351 PolarHBondContact O-N 3.17Å
348	F	73.9	Confident	77.6	Confident	106 Å²	106	94.7 Å²	94.7	47%	0.465	41%	0.406	S	S	.	.	H	α-helix	trans	-58	-40.4	174.2	-178.7	-99.7	0	0	0	111.8	Q344 H345 R352 I407	Q344-F348 VanDerWaalsContact O-CB 3.3Å; Q344-F348 WeakPolarHBondContact O-CB 3.34Å; Q344-F348 PolarHBondContact O-N 2.88Å; H345-F348 PolarHBondContact O-N 3.36Å; F348-R352 WeakPolarHBondContact O-CB 3.48Å; F348-R352 PolarHBondContact O-N 2.91Å; F348-I407 HydrophobicContact CE1-CG2 4.42Å
349	L	70.1	Confident	76.8	Confident	36 Å²	36	99.6 Å²	99.6	19%	0.188	43%	0.433	C	S	.	.	H	α-helix	trans	-66.6	-39.6	173.8	-95.5	88.1	0	0	0	113.2	H345 E347 R353 K408	H345-L349 WeakPolarHBondContact CE1-CD1 3.47Å; H345-L349 WeakPolarHBondContact ND1-CD1 3.2Å; H345-L349 WeakPolarHBondContact NE2-CD1 3.41Å; H345-L349 WeakPolarHBondContact O-CD1 3.44Å; H345-L349 PolarHBondContact O-N 2.89Å; E347-L349 VanDerWaalsContact C-N 3.27Å; E347-L349 PolarHBondContact O-N 3.49Å; L349-R353 WeakPolarHBondContact O-CB 3.42Å; L349-R353 VanDerWaalsContact O-CG 3.24Å; L349-R353 WeakPolarHBondContact O-CG 3.3Å; L349-R353 PolarHBondContact O-N 3.34Å; L349-K408 HydrophobicContact CD2-CD 4.28Å
350	R	77.1	Confident	76.2	Confident	146 Å²	146	105 Å²	105	55%	0.551	45%	0.454	S	S	*	.	H	α-helix	trans	-61.8	-46.5	177.5	-78	169.4	173.8	-172.8	-5.8	111	K346 E347 R353 R354	K346-R350 VanDerWaalsContact O-CG 3.27Å; K346-R350 WeakPolarHBondContact O-CG 3.49Å; K346-R350 PolarHBondContact O-N 3.03Å; E347-R350 WeakPolarHBondContact O-CB 3.33Å; E347-R350 PolarHBondContact O-N 2.95Å; E347-R350 WeakPolarHBondContact OE1-CD 3.31Å; E347-R350 IonicContact OE1-CZ 2.62Å; E347-R350 IonicContact OE1-NE 2.78Å; E347-R350 IonicContact OE1-NH1 3.81Å; E347-R350 PolarHBondContact OE1-NH1 3.06Å; R350-R353 PolarHBondContact O-N 2.96Å; R350-R354 WeakPolarHBondContact O-CG 3.23Å; R350-R354 PolarHBondContact O-N 3.42Å
351	L	77.3	Confident	75.4	Confident	96 Å²	96	105.4 Å²	105.4	50%	0.503	46%	0.458	S	S	.	.	H	α-helix	trans	-63.1	-45.3	177.9	-69	171.8	0	0	0	112	E347 R353 R354 Q355	E347-L351 PolarHBondContact O-N 3.17Å; L351-R353 VanDerWaalsContact C-N 3.33Å; L351-R353 PolarHBondContact O-N 2.87Å; L351-R354 WeakPolarHBondContact O-CB 3.3Å; L351-R354 PolarHBondContact O-N 3.2Å; L351-R354 VanDerWaalsContact O-N 3.14Å; L351-Q355 PolarHBondContact O-N 3.32Å
352	R	72.1	Confident	74.6	Confident	77 Å²	77	110.3 Å²	110.3	29%	0.291	48%	0.479	S	S	.	.	H	α-helix	trans	-66.7	-33	177.4	-164.3	174.5	177.1	-172.5	-0.9	112.8	F348 K356	F348-R352 WeakPolarHBondContact O-CB 3.48Å; F348-R352 PolarHBondContact O-N 2.91Å; R352-K356 PolarHBondContact O-N 3.49Å
353	R	75.8	Confident	74	Confident	163 Å²	163	114.6 Å²	114.6	62%	0.615	50%	0.5	S	S	*	.	H	α-helix	trans	-67.1	-37.7	171.5	-76.9	175.7	-178.5	-172.4	0.2	111.8	L349 R350 L351 R357	L349-R353 WeakPolarHBondContact O-CB 3.42Å; L349-R353 VanDerWaalsContact O-CG 3.24Å; L349-R353 WeakPolarHBondContact O-CG 3.3Å; L349-R353 PolarHBondContact O-N 3.34Å; R350-R353 PolarHBondContact O-N 2.96Å; L351-R353 VanDerWaalsContact C-N 3.33Å; L351-R353 PolarHBondContact O-N 2.87Å; R353-R357 WeakPolarHBondContact O-CG 3.32Å; R353-R357 PolarHBondContact O-N 3.32Å; R353-R357 VanDerWaalsContact O-N 3.07Å
354	R	77.4	Confident	73.5	Confident	173 Å²	173	111.2 Å²	111.2	65%	0.653	50%	0.496	S	S	*	.	H	α-helix	trans	-64.8	-47.7	174.2	-74.9	178.1	176.1	-179.9	-1.1	111.6	R350 L351 K356 R357 Q358	R350-R354 WeakPolarHBondContact O-CG 3.23Å; R350-R354 PolarHBondContact O-N 3.42Å; L351-R354 WeakPolarHBondContact O-CB 3.3Å; L351-R354 PolarHBondContact O-N 3.2Å; L351-R354 VanDerWaalsContact O-N 3.14Å; R354-K356 VanDerWaalsContact C-N 3.33Å; R354-K356 PolarHBondContact O-N 3.47Å; R354-R357 WeakPolarHBondContact O-CB 3.42Å; R354-R357 PolarHBondContact O-N 3.13Å; R354-R357 VanDerWaalsContact O-N 3.08Å; R354-Q358 PolarHBondContact O-N 3.4Å
355	Q	76.6	Confident	72.9	Confident	118 Å²	118	109 Å²	109	55%	0.551	49%	0.492	S	S	*	.	H	α-helix	trans	-58.4	-42.3	174.9	-77.2	177	-20.4	0	0	112.3	L351 R357 Q358 N359	L351-Q355 PolarHBondContact O-N 3.32Å; Q355-R357 VanDerWaalsContact C-N 3.33Å; Q355-R357 PolarHBondContact O-N 2.85Å; Q355-Q358 PolarHBondContact O-N 3.39Å; Q355-N359 PolarHBondContact O-N 2.71Å; Q355-N359 PolarHBondContact O-OD1 3.31Å
356	K	70.9	Confident	72.4	Confident	94 Å²	94	116.1 Å²	116.1	41%	0.409	52%	0.517	S	S	.	.	H	α-helix	trans	-64.9	-33.8	175	-83.5	-174	177.2	178.7	0	114	R352 R354 K360	R352-K356 PolarHBondContact O-N 3.49Å; R354-K356 VanDerWaalsContact C-N 3.33Å; R354-K356 PolarHBondContact O-N 3.47Å; K356-K360 WeakPolarHBondContact O-CB 3.4Å; K356-K360 PolarHBondContact O-N 2.94Å; K356-K360 VanDerWaalsContact O-N 3.1Å
357	R	75.4	Confident	71.6	Confident	184 Å²	184	118.1 Å²	118.1	69%	0.694	53%	0.528	S	S	*	.	H	α-helix	trans	-67.9	-44.2	174.5	-75.5	179.4	179.3	-169.4	-2.2	110.5	R353 R354 Q355 K360 E361	R353-R357 WeakPolarHBondContact O-CG 3.32Å; R353-R357 PolarHBondContact O-N 3.32Å; R353-R357 VanDerWaalsContact O-N 3.07Å; R354-R357 WeakPolarHBondContact O-CB 3.42Å; R354-R357 PolarHBondContact O-N 3.13Å; R354-R357 VanDerWaalsContact O-N 3.08Å; Q355-R357 VanDerWaalsContact C-N 3.33Å; Q355-R357 PolarHBondContact O-N 2.85Å; R357-K360 PolarHBondContact O-N 3.2Å; R357-E361 PolarHBondContact O-N 3.22Å
358	Q	75	Confident	70.7	Confident	116 Å²	116	117.2 Å²	117.2	54%	0.542	53%	0.532	S	S	.	.	H	α-helix	trans	-59.7	-49	174.8	-75.2	176.9	-33.5	0	0	112	R354 Q355 K360 E361 E362	R354-Q358 PolarHBondContact O-N 3.4Å; Q355-Q358 PolarHBondContact O-N 3.39Å; Q358-K360 VanDerWaalsContact C-N 3.25Å; Q358-K360 PolarHBondContact O-N 3Å; Q358-E361 PolarHBondContact O-N 3.17Å; Q358-E362 WeakPolarHBondContact O-CG 3.47Å; Q358-E362 PolarHBondContact O-N 3.44Å
359	N	72.9	Confident	69.7	Low	103 Å²	103	121.5 Å²	121.5	55%	0.551	55%	0.545	S	S	*	.	H	α-helix	trans	-62.1	-33.5	177.6	-71.2	23	0	0	0	112.5	Q355 D363	Q355-N359 PolarHBondContact O-N 2.71Å; Q355-N359 PolarHBondContact O-OD1 3.31Å; N359-D363 PolarHBondContact O-N 3.24Å
360	K	73.9	Confident	68.8	Low	149 Å²	149	127.7 Å²	127.7	65%	0.648	57%	0.571	S	S	*	*	H	α-helix	trans	-74.4	-36.1	177.3	-164.5	176.1	-176.3	-176.1	0	112.1	K356 R357 Q358 V364	K356-K360 WeakPolarHBondContact O-CB 3.4Å; K356-K360 PolarHBondContact O-N 2.94Å; K356-K360 VanDerWaalsContact O-N 3.1Å; R357-K360 PolarHBondContact O-N 3.2Å; Q358-K360 VanDerWaalsContact C-N 3.25Å; Q358-K360 PolarHBondContact O-N 3Å; K360-V364 VanDerWaalsContact O-CG2 3.27Å; K360-V364 WeakPolarHBondContact O-CG2 3.44Å; K360-V364 PolarHBondContact O-N 3.35Å; K360-V364 VanDerWaalsContact O-N 3.15Å
361	E	71.1	Confident	67.5	Low	130 Å²	130	127.9 Å²	127.9	61%	0.607	58%	0.582	S	S	*	*	H	α-helix	trans	-66.8	-39.6	171.8	-79.6	171.3	178	0	0	111.3	R357 Q358 V364 T365	R357-E361 PolarHBondContact O-N 3.22Å; Q358-E361 PolarHBondContact O-N 3.17Å; E361-V364 PolarHBondContact O-N 3.4Å; E361-T365 WeakPolarHBondContact O-CB 3.47Å; E361-T365 PolarHBondContact O-N 2.76Å; E361-T365 PolarHBondContact O-OG1 2.78Å
362	E	67.8	Low	65.7	Low	133 Å²	133	132.4 Å²	132.4	62%	0.621	60%	0.599	S	S	*	*	H	α-helix	trans	-63.1	-42.9	173.8	-76.1	-176.5	168.1	0	0	112.5	Q358 T365 R366	Q358-E362 WeakPolarHBondContact O-CG 3.47Å; Q358-E362 PolarHBondContact O-N 3.44Å; E362-T365 PolarHBondContact O-N 2.83Å; E362-R366 VanDerWaalsContact O-CB 3.26Å; E362-R366 WeakPolarHBondContact O-CB 3.37Å; E362-R366 PolarHBondContact O-N 3.03Å
363	D	67.4	Low	64.3	Low	103 Å²	103	134 Å²	134	55%	0.551	62%	0.622	S	S	*	*	H	α-helix	trans	-63.1	-43.9	176.4	-111.8	-10.4	0	0	0	112	N359 T365 R366 E367	N359-D363 PolarHBondContact O-N 3.24Å; D363-T365 VanDerWaalsContact C-N 3.34Å; D363-T365 PolarHBondContact O-N 2.91Å; D363-R366 PolarHBondContact O-N 3.24Å; D363-E367 PolarHBondContact O-N 3.02Å
364	V	70.4	Confident	62.8	Low	80 Å²	80	129 Å²	129	49%	0.485	62%	0.62	S	S	.	*	H	α-helix	trans	-65.3	-37.3	176.9	172.4	0	0	0	0	111.5	K360 E361 R366 S368	K360-V364 VanDerWaalsContact O-CG2 3.27Å; K360-V364 WeakPolarHBondContact O-CG2 3.44Å; K360-V364 PolarHBondContact O-N 3.35Å; K360-V364 VanDerWaalsContact O-N 3.15Å; E361-V364 PolarHBondContact O-N 3.4Å; V364-R366 VanDerWaalsContact C-N 3.33Å; V364-S368 WeakPolarHBondContact O-CB 3.43Å; V364-S368 PolarHBondContact O-N 3Å; V364-S368 PolarHBondContact O-OG 3.42Å
365	T	65.3	Low	61.2	Low	73 Å²	73	132.3 Å²	132.3	45%	0.448	63%	0.634	S	S	.	*	H	α-helix	trans	-70.2	-32.3	176	-48	0	0	0	0	111.6	E361 E362 D363 R369	E361-T365 WeakPolarHBondContact O-CB 3.47Å; E361-T365 PolarHBondContact O-N 2.76Å; E361-T365 PolarHBondContact O-OG1 2.78Å; E362-T365 PolarHBondContact O-N 2.83Å; D363-T365 VanDerWaalsContact C-N 3.34Å; D363-T365 PolarHBondContact O-N 2.91Å; T365-R369 PolarHBondContact O-N 3.18Å; T365-R369 VanDerWaalsContact O-N 3.1Å
366	R	59.7	Low	59.3	Low	171 Å²	171	130 Å²	130	65%	0.645	64%	0.643	S	S	*	*	H	α-helix	trans	-74.4	-39.7	176.9	-172.1	177.1	138.3	168.8	-4.7	112.3	E362 D363 V364 R369 F370	E362-R366 VanDerWaalsContact O-CB 3.26Å; E362-R366 WeakPolarHBondContact O-CB 3.37Å; E362-R366 PolarHBondContact O-N 3.03Å; D363-R366 PolarHBondContact O-N 3.24Å; V364-R366 VanDerWaalsContact C-N 3.33Å; R366-R369 PolarHBondContact O-N 3.27Å; R366-F370 PolarHBondContact O-N 2.78Å
367	E	57.8	Low	57.7	Low	138 Å²	138	135 Å²	135	65%	0.645	67%	0.67	S	S	*	*	H	α-helix	trans	-62.8	-40.8	168.8	-93.2	-176.2	150.7	0	0	111.9	D363 R369 F370 N371	D363-E367 PolarHBondContact O-N 3.02Å; E367-R369 VanDerWaalsContact C-N 3.32Å; E367-R369 PolarHBondContact O-N 2.99Å; E367-F370 PolarHBondContact O-N 3.4Å; E367-F370 VanDerWaalsContact O-N 3.15Å; E367-N371 PolarHBondContact O-N 2.9Å
368	S	56.1	Low	55.7	Low	72 Å²	72	129.7 Å²	129.7	50%	0.503	67%	0.672	S	S	.	*	H	α-helix	trans	-65.7	-31.9	177.8	-58.7	0	0	0	0	113	V364	V364-S368 WeakPolarHBondContact O-CB 3.43Å; V364-S368 PolarHBondContact O-N 3Å; V364-S368 PolarHBondContact O-OG 3.42Å
369	R	54.3	Low	53.7	Low	196 Å²	196	133.2 Å²	133.2	74%	0.74	69%	0.688	S	S	*	*	H	α-helix	trans	-71.6	-30.1	171.9	-90.8	-173.4	-144.7	172.1	7	113.6	T365 R366 E367 N371	T365-R369 PolarHBondContact O-N 3.18Å; T365-R369 VanDerWaalsContact O-N 3.1Å; R366-R369 PolarHBondContact O-N 3.27Å; E367-R369 VanDerWaalsContact C-N 3.32Å; E367-R369 PolarHBondContact O-N 2.99Å; R369-N371 VanDerWaalsContact C-N 3.34Å
370	F	51.1	Low	51.6	Low	167 Å²	167	133.1 Å²	133.1	73%	0.732	69%	0.694	S	S	*	*	H	α-helix	trans	-75.2	-21.8	176.1	-100.1	-87.5	0	0	0	113.3	R366 E367	R366-F370 PolarHBondContact O-N 2.78Å; E367-F370 PolarHBondContact O-N 3.4Å; E367-F370 VanDerWaalsContact O-N 3.15Å
371	N	48.4	Very low	49.6	Very low	149 Å²	149	133.9 Å²	133.9	80%	0.797	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-3.2	177.5	-75.3	-11.7	0	0	0	114.9	E367 R369	E367-N371 PolarHBondContact O-N 2.9Å; R369-N371 VanDerWaalsContact C-N 3.34Å
372	F	40.6	Very low	47.8	Very low	192 Å²	192	136.4 Å²	136.4	84%	0.842	72%	0.716	S	S	*	*	S	Bend	trans	-103.2	-2.4	-177.9	-167.6	-105.5	0	0	0	114.3
373	S	42.8	Very low	46.1	Very low	111 Å²	111	136.1 Å²	136.1	78%	0.776	72%	0.723	S	S	*	*	S	Bend	trans	-113.2	86.6	179.7	-174.5	0	0	0	0	111.9
374	G	44.6	Very low	44.3	Very low	56 Å²	56	140.8 Å²	140.8	58%	0.577	74%	0.738	S	S	*	*			trans	129.9	97.9	158.3	0	0	0	0	0	113.1
375	Y	44.1	Very low	42.3	Very low	244 Å²	244	144.4 Å²	144.4	96%	0.957	76%	0.755	S	S	*	*				-162.9	78.9	124.6	-87.9	-65.8	0	0	0	107.9
376	G	36.6	Very low	40.7	Very low	70 Å²	70	144.5 Å²	144.5	72%	0.722	77%	0.77	S	S	*	*			trans	-88.2	130.7	152	0	0	0	0	0	108.6
377	M	36.2	Very low	39.2	Very low	199 Å²	199	143 Å²	143	98%	0.98	78%	0.78	S	S	*	*			trans	69.5	118.2	156.9	-145.2	71.1	95.8	0	0	119.1
378	G	34	Very low	37.9	Very low	71 Å²	71	141.1 Å²	141.1	73%	0.732	79%	0.788	S	S	*	*			trans	126.4	101.5	136.5	0	0	0	0	0	118.5
379	H	32.3	Very low	37	Very low	191 Å²	191	144.4 Å²	144.4	88%	0.884	81%	0.805	S	S	*	*			trans	108.3	134.6	132.1	-124.9	-87.8	0	0	0	120.8
380	C	29.6	Very low	35.9	Very low	101 Å²	101	144.9 Å²	144.9	68%	0.682	81%	0.813	S	S	*	*			trans	-82	165.9	-164.2	-65.7	0	0	0	0	116.9
381	L	31.8	Very low	35.1	Very low	164 Å²	164	140.8 Å²	140.8	86%	0.859	81%	0.81	S	S	*	*			trans	77	133	160.3	-66.3	157.8	0	0	0	115.2
382	Q	32.8	Very low	34.4	Very low	183 Å²	183	140.3 Å²	140.3	86%	0.855	81%	0.812	S	S	*	*			cis	-151.5	153.9	26.7	-122.3	178.6	-3.4	0	0	111.3
383	V	32.3	Very low	34.5	Very low	128 Å²	128	136.8 Å²	136.8	78%	0.776	81%	0.809	S	S	*	*			trans	-62.5	138.7	171.7	169.8	0	0	0	0	112.1
384	K	29.3	Very low	34.3	Very low	200 Å²	200	136.1 Å²	136.1	87%	0.87	81%	0.81	S	S	*	*				177.8	132.5	112.1	-156.2	164	-178.1	176	0	113
385	D	29.3	Very low	33.9	Very low	157 Å²	157	140.9 Å²	140.9	84%	0.84	82%	0.822	S	S	*	*			trans	-57.2	159.2	-179.5	-59.8	-66.3	0	0	0	116.3
386	G	30.6	Very low	33.7	Very low	74 Å²	74	134.9 Å²	134.9	76%	0.763	81%	0.813	S	S	*	*			trans	153.5	71.7	155.3	0	0	0	0	0	116.2
387	T	29.3	Very low	34	Very low	139 Å²	139	139 Å²	139	85%	0.853	82%	0.818	S	S	*	*			trans	-29.3	124.1	167.1	18.6	0	0	0	0	117.3
388	A	30.2	Very low	34.4	Very low	99 Å²	99	135.3 Å²	135.3	82%	0.818	81%	0.808	S	S	*	*			trans	-132.5	94.2	156.2	0	0	0	0	0	109.2	K390	A388-K390 PolarHBondContact O-N 3.15Å
389	V	36.5	Very low	34.7	Very low	142 Å²	142	139.7 Å²	139.7	86%	0.861	81%	0.81	S	S	*	*			trans	-80.1	106.5	171.7	177.4	0	0	0	0	107.8
390	K	32.3	Very low	35.4	Very low	206 Å²	206	135.1 Å²	135.1	90%	0.896	80%	0.797	S	S	*	*			trans	-113.4	125.2	167.7	-144.3	174.3	-173.2	177.4	0	108.5	A388	A388-K390 PolarHBondContact O-N 3.15Å
391	A	33.6	Very low	36.5	Very low	80 Å²	80	133.3 Å²	133.3	66%	0.661	78%	0.784	S	S	*	*			trans	-73.1	163.4	-173.7	0	0	0	0	0	113.9
392	T	34.3	Very low	37.7	Very low	139 Å²	139	133.7 Å²	133.7	85%	0.853	78%	0.779	S	S	*	*			trans	85.8	148.3	161.6	36.4	0	0	0	0	120.7
393	P	42.2	Very low	38.9	Very low	119 Å²	119	130.3 Å²	130.3	77%	0.773	77%	0.767	S	S	*	*			cis	-123	161.5	-2.3	29.5	-8.6	0	0	0	115.5
394	A	39	Very low	40.1	Very low	96 Å²	96	125.3 Å²	125.3	79%	0.793	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-56.2	134.6	172.6	0	0	0	0	0	112.2
395	N	36.4	Very low	41.7	Very low	156 Å²	156	119.6 Å²	119.6	83%	0.834	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-55.7	133.8	166.8	-95.1	-18.8	0	0	0	110.2	L397	N395-L397 PolarHBondContact O-N 3.42Å
396	P	38.9	Very low	43.5	Very low	118 Å²	118	114.3 Å²	114.3	77%	0.766	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-66.3	133.1	173.6	24.1	-27.3	0	0	0	109.9
397	L	42.3	Very low	45.2	Very low	157 Å²	157	113.5 Å²	113.5	82%	0.822	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-46.5	139.4	170.7	-76.5	138.8	0	0	0	110.8	N395 Q399	N395-L397 PolarHBondContact O-N 3.42Å; L397-Q399 PolarHBondContact O-N 3.32Å
398	P	45.3	Very low	46.9	Very low	121 Å²	121	111 Å²	111	79%	0.786	65%	0.651	S	S	*	*			trans	-62.2	114	177.1	-11.8	23.4	0	0	0	109.6
399	Q	40.2	Very low	48.8	Very low	164 Å²	164	113 Å²	113	77%	0.766	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-63.5	139	174.1	-67.1	-176.8	-5.5	0	0	109.8	L397	L397-Q399 PolarHBondContact O-N 3.32Å
400	P	47.6	Very low	50.5	Low	94 Å²	94	113.7 Å²	113.7	61%	0.61	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-62.6	139.8	175.3	25.9	-32.2	0	0	0	110	K402	P400-K402 PolarHBondContact O-N 2.97Å
401	P	53.2	Low	52.3	Low	64 Å²	64	108 Å²	108	42%	0.416	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-72.3	121.7	-176.5	25.6	-30.3	0	0	0	110.8	D403 A404	P401-D403 PolarHBondContact O-N 2.92Å; P401-A404 PolarHBondContact O-N 2.98Å
402	K	55.6	Low	54.2	Low	171 Å²	171	106.4 Å²	106.4	74%	0.743	59%	0.59	S	S	*	*	H	α-helix	trans	-50.2	-28.3	-174.6	-68.1	176	177.3	174.8	0	114.6	P400 A406	P400-K402 PolarHBondContact O-N 2.97Å; K402-A406 WeakPolarHBondContact O-CB 3.44Å; K402-A406 PolarHBondContact O-N 3.3Å
403	D	58.9	Low	56.2	Low	112 Å²	112	103.4 Å²	103.4	60%	0.599	57%	0.568	S	S	*	*	H	α-helix	trans	-74.1	-29.1	-176.3	-61.8	-34.9	0	0	0	114.6	P401 I407	P401-D403 PolarHBondContact O-N 2.92Å; D403-I407 WeakPolarHBondContact O-CD1 3.28Å; D403-I407 VanDerWaalsContact O-CG1 3.28Å; D403-I407 WeakPolarHBondContact O-CG1 3.48Å; D403-I407 PolarHBondContact O-N 2.89Å
404	A	56.4	Low	58	Low	24 Å²	24	105.3 Å²	105.3	20%	0.198	56%	0.56	C	S	.	*	H	α-helix	trans	-74.6	-37.4	177.8	0	0	0	0	0	111.5	P401 K408	P401-A404 PolarHBondContact O-N 2.98Å; A404-K408 WeakPolarHBondContact O-CB 3.42Å; A404-K408 PolarHBondContact O-N 3.48Å
405	D	64	Low	59.8	Low	79 Å²	79	100.9 Å²	100.9	42%	0.422	52%	0.523	S	S	.	.	H	α-helix	trans	-75.4	-32.9	177.4	-67.8	-42.9	0	0	0	112	K408 K409	D405-K408 WeakPolarHBondContact O-CB 3.24Å; D405-K408 PolarHBondContact O-N 3.32Å; D405-K409 WeakPolarHBondContact O-CB 3.48Å; D405-K409 PolarHBondContact O-N 3.45Å
406	A	66.8	Low	61.9	Low	46 Å²	46	99 Å²	99	38%	0.38	51%	0.508	S	S	.	.	H	α-helix	trans	-65.3	-43.9	173.1	0	0	0	0	0	112.6	K402 K408 K409 K410	K402-A406 WeakPolarHBondContact O-CB 3.44Å; K402-A406 PolarHBondContact O-N 3.3Å; A406-K408 VanDerWaalsContact C-N 3.32Å; A406-K409 PolarHBondContact O-N 2.88Å; A406-K410 WeakPolarHBondContact O-CG 3.5Å; A406-K410 PolarHBondContact O-N 2.82Å; A406-K410 VanDerWaalsContact O-N 3.1Å
407	I	66.1	Low	64.2	Low	57 Å²	57	101.7 Å²	101.7	29%	0.292	50%	0.503	S	S	.	.	H	α-helix	trans	-65.1	-40.1	174.4	-67.5	169.1	0	0	0	110.1	F348 D403 K409 K410 F411	F348-I407 HydrophobicContact CE1-CG2 4.42Å; D403-I407 WeakPolarHBondContact O-CD1 3.28Å; D403-I407 VanDerWaalsContact O-CG1 3.28Å; D403-I407 WeakPolarHBondContact O-CG1 3.48Å; D403-I407 PolarHBondContact O-N 2.89Å; I407-K409 PolarHBondContact O-N 3.04Å; I407-K410 PolarHBondContact O-N 3.02Å; I407-F411 HydrophobicContact CG2-CD2 3.8Å; I407-F411 HydrophobicContact CG2-CE2 3.72Å; I407-F411 VanDerWaalsContact O-CD2 3.31Å; I407-F411 WeakPolarHBondContact O-CD2 3.33Å; I407-F411 PolarHBondContact O-N 3.31Å
408	K	64.4	Low	66.3	Low	88 Å²	88	96.7 Å²	96.7	38%	0.383	48%	0.476	S	S	.	.	H	α-helix	trans	-59.2	-45.4	175.4	174.7	-175.4	179.2	-166.5	0	112.9	H345 L349 A404 D405 A406 V412	H345-K408 VanDerWaalsContact CE1-CA 3.5Å; H345-K408 WeakPolarHBondContact CE1-CA 3.44Å; L349-K408 HydrophobicContact CD2-CD 4.28Å; A404-K408 WeakPolarHBondContact O-CB 3.42Å; A404-K408 PolarHBondContact O-N 3.48Å; D405-K408 WeakPolarHBondContact O-CB 3.24Å; D405-K408 PolarHBondContact O-N 3.32Å; A406-K408 VanDerWaalsContact C-N 3.32Å; K408-V412 WeakPolarHBondContact O-CG2 3.35Å; K408-V412 PolarHBondContact O-N 3.17Å
409	K	70.9	Confident	68.3	Low	141 Å²	141	91.3 Å²	91.3	61%	0.613	44%	0.441	S	S	*	.	H	α-helix	trans	-60.7	-47.1	176.6	-163.7	174	178.1	-177.1	0	111.1	D405 A406 I407 F411 V412 D413	D405-K409 WeakPolarHBondContact O-CB 3.48Å; D405-K409 PolarHBondContact O-N 3.45Å; A406-K409 PolarHBondContact O-N 2.88Å; I407-K409 PolarHBondContact O-N 3.04Å; K409-F411 PolarHBondContact O-N 3.4Å; K409-V412 PolarHBondContact O-N 3.47Å; K409-D413 WeakPolarHBondContact CG-OD2 3.31Å; K409-D413 VanDerWaalsContact O-CB 3.24Å; K409-D413 WeakPolarHBondContact O-CB 3.43Å; K409-D413 PolarHBondContact O-N 2.88Å
410	K	73	Confident	70.7	Confident	155 Å²	155	87.6 Å²	87.6	67%	0.674	43%	0.43	S	S	*	.	H	α-helix	trans	-57	-42.4	179.5	-74.6	179.6	179.9	-177	0	114.5	A406 I407 R414	A406-K410 WeakPolarHBondContact O-CG 3.5Å; A406-K410 PolarHBondContact O-N 2.82Å; A406-K410 VanDerWaalsContact O-N 3.1Å; I407-K410 PolarHBondContact O-N 3.02Å; K410-R414 WeakPolarHBondContact O-CB 3.45Å; K410-R414 PolarHBondContact O-N 2.96Å
411	F	69.8	Low	72.9	Confident	88 Å²	88	87.6 Å²	87.6	39%	0.386	42%	0.424	S	S	.	.	H	α-helix	trans	-78	-37.5	-178.7	-78.6	-79	0	0	0	113.2	I407 K409 D413 R414 A415	I407-F411 HydrophobicContact CG2-CD2 3.8Å; I407-F411 HydrophobicContact CG2-CE2 3.72Å; I407-F411 VanDerWaalsContact O-CD2 3.31Å; I407-F411 WeakPolarHBondContact O-CD2 3.33Å; I407-F411 PolarHBondContact O-N 3.31Å; K409-F411 PolarHBondContact O-N 3.4Å; F411-D413 VanDerWaalsContact C-N 3.32Å; F411-R414 WeakPolarHBondContact O-CB 3.28Å; F411-R414 PolarHBondContact O-N 3.41Å; F411-A415 PolarHBondContact O-N 3.31Å
412	V	72.1	Confident	74.8	Confident	45 Å²	45	85.1 Å²	85.1	27%	0.273	41%	0.407	S	S	.	.	H	α-helix	trans	-64.4	-41.2	172.7	172.7	0	0	0	0	110.4	K408 K409 R414 A415 K416	K408-V412 WeakPolarHBondContact O-CG2 3.35Å; K408-V412 PolarHBondContact O-N 3.17Å; K409-V412 PolarHBondContact O-N 3.47Å; V412-R414 VanDerWaalsContact C-N 3.29Å; V412-R414 PolarHBondContact O-N 3.1Å; V412-A415 PolarHBondContact O-N 3.37Å; V412-K416 HydrophobicContact CG1-CD 4.16Å; V412-K416 WeakPolarHBondContact O-CB 3.42Å; V412-K416 WeakPolarHBondContact O-CG 3.41Å; V412-K416 PolarHBondContact O-N 3.2Å
413	D	77.3	Confident	76.6	Confident	76 Å²	76	81.1 Å²	81.1	41%	0.406	39%	0.388	S	S	.	.	H	α-helix	trans	-64.4	-35.9	175.2	-66.7	-15.3	0	0	0	111	K409 F411 R417	K409-D413 WeakPolarHBondContact CG-OD2 3.31Å; K409-D413 VanDerWaalsContact O-CB 3.24Å; K409-D413 WeakPolarHBondContact O-CB 3.43Å; K409-D413 PolarHBondContact O-N 2.88Å; F411-D413 VanDerWaalsContact C-N 3.32Å; D413-R417 WeakPolarHBondContact O-CB 3.41Å; D413-R417 PolarHBondContact O-N 3.27Å
414	R	79.9	Confident	78.3	Confident	160 Å²	160	78.9 Å²	78.9	60%	0.604	39%	0.385	S	S	*	.	H	α-helix	trans	-65.1	-44.7	174.3	-168.6	176.1	-176.8	177.1	0.6	112.3	K410 F411 V412 R417 I418	K410-R414 WeakPolarHBondContact O-CB 3.45Å; K410-R414 PolarHBondContact O-N 2.96Å; F411-R414 WeakPolarHBondContact O-CB 3.28Å; F411-R414 PolarHBondContact O-N 3.41Å; V412-R414 VanDerWaalsContact C-N 3.29Å; V412-R414 PolarHBondContact O-N 3.1Å; R414-R417 PolarHBondContact O-N 3.41Å; R414-I418 WeakPolarHBondContact O-CG1 3.25Å; R414-I418 PolarHBondContact O-N 2.86Å
415	A	76.4	Confident	80.1	Confident	2 Å²	2	79.9 Å²	79.9	2%	0.017	39%	0.393	C	S	.	.	H	α-helix	trans	-64.3	-44.4	176.6	0	0	0	0	0	111.7	M280 V341 F411 V412 R417 I418 D419	M280-A415 HydrophobicContact CE-CB 3.77Å; M280-A415 HydrophobicContact SD-CB 4.31Å; V341-A415 HydrophobicContact CG1-CB 4.44Å; F411-A415 PolarHBondContact O-N 3.31Å; V412-A415 PolarHBondContact O-N 3.37Å; A415-R417 VanDerWaalsContact C-N 3.29Å; A415-R417 PolarHBondContact O-N 3.07Å; A415-I418 WeakPolarHBondContact O-CB 3.36Å; A415-I418 PolarHBondContact O-N 3.33Å; A415-D419 PolarHBondContact O-N 3Å
416	K	81.3	Confident	81.7	Confident	116 Å²	116	77.9 Å²	77.9	50%	0.504	38%	0.381	S	S	.	.	H	α-helix	trans	-63.2	-34.6	174.6	-72.5	179.2	177.7	-176.6	0	112.8	M280 V412 I418 D419 T420	M280-K416 HydrophobicContact CE-CG 3.94Å; V412-K416 HydrophobicContact CG1-CD 4.16Å; V412-K416 WeakPolarHBondContact O-CB 3.42Å; V412-K416 WeakPolarHBondContact O-CG 3.41Å; V412-K416 PolarHBondContact O-N 3.2Å; K416-I418 VanDerWaalsContact C-N 3.32Å; K416-D419 PolarHBondContact O-N 2.91Å; K416-T420 WeakPolarHBondContact O-CB 3.3Å; K416-T420 PolarHBondContact O-N 3.14Å; K416-T420 PolarHBondContact O-OG1 2.83Å
417	R	87.3	Confident	83.1	Confident	176 Å²	176	77.6 Å²	77.6	66%	0.664	38%	0.375	S	S	*	.	H	α-helix	trans	-65.1	-36.5	176.3	-172.1	176.7	-176.6	-161.4	0.5	111.7	D413 R414 A415 T420 I421	D413-R417 WeakPolarHBondContact O-CB 3.41Å; D413-R417 PolarHBondContact O-N 3.27Å; R414-R417 PolarHBondContact O-N 3.41Å; A415-R417 VanDerWaalsContact C-N 3.29Å; A415-R417 PolarHBondContact O-N 3.07Å; R417-T420 PolarHBondContact O-N 3.45Å; R417-I421 HydrophobicContact CG-CD1 3.89Å; R417-I421 HydrophobicContact CG-CG1 4.45Å; R417-I421 VanDerWaalsContact O-CG1 3.27Å; R417-I421 WeakPolarHBondContact O-CG1 3.35Å; R417-I421 PolarHBondContact O-N 3.44Å
418	I	86.8	Confident	84.5	Confident	52 Å²	52	79.8 Å²	79.8	27%	0.267	39%	0.387	S	S	.	.	H	α-helix	trans	-61.6	-55.2	174.4	-64.2	166.2	0	0	0	109.6	E334 V338 R414 A415 K416 T420 I421 S422	E334-I418 HydrophobicContact CG-CG2 4.39Å; V338-I418 HydrophobicContact CG2-CB 4.24Å; V338-I418 HydrophobicContact CG2-CG2 3.86Å; R414-I418 WeakPolarHBondContact O-CG1 3.25Å; R414-I418 PolarHBondContact O-N 2.86Å; A415-I418 WeakPolarHBondContact O-CB 3.36Å; A415-I418 PolarHBondContact O-N 3.33Å; K416-I418 VanDerWaalsContact C-N 3.32Å; I418-T420 PolarHBondContact O-N 2.99Å; I418-I421 PolarHBondContact O-N 3.06Å; I418-I421 VanDerWaalsContact O-N 3.14Å; I418-S422 WeakPolarHBondContact O-CB 3.48Å; I418-S422 PolarHBondContact O-N 3.23Å; I418-S422 PolarHBondContact O-OG 2.96Å
419	D	87.5	Confident	86.1	Confident	8 Å²	8	77.8 Å²	77.8	4%	0.043	39%	0.387	C	S	.	.	H	α-helix	trans	-55.3	-40.7	177.1	-77.2	-49.3	0	0	0	111.3	R286 A415 K416 S422 R423	R286-D419 IonicContact CZ-OD1 3.71Å; R286-D419 IonicContact NH1-OD1 3.96Å; R286-D419 PolarHBondContact NH1-OD1 3.07Å; R286-D419 IonicContact NH1-OD2 3Å; R286-D419 IonicContact NH2-OD1 2.77Å; R286-D419 PolarHBondContact NH2-OD1 3.34Å; A415-D419 PolarHBondContact O-N 3Å; K416-D419 PolarHBondContact O-N 2.91Å; D419-S422 PolarHBondContact O-N 3.3Å; D419-R423 VanDerWaalsContact O-CG 3.23Å; D419-R423 WeakPolarHBondContact O-CG 3.31Å; D419-R423 PolarHBondContact O-N 3.22Å; D419-R423 VanDerWaalsContact O-N 3.09Å
420	T	90.1	Very high	87.3	Confident	86 Å²	86	71.3 Å²	71.3	53%	0.528	36%	0.359	S	S	.	.	H	α-helix	trans	-65.5	-41	-179.4	-54.8	0	0	0	0	112.5	K416 R417 I418	K416-T420 WeakPolarHBondContact O-CB 3.3Å; K416-T420 PolarHBondContact O-N 3.14Å; K416-T420 PolarHBondContact O-OG1 2.83Å; R417-T420 PolarHBondContact O-N 3.45Å; I418-T420 PolarHBondContact O-N 2.99Å
421	I	93.1	Very high	88.5	Confident	94 Å²	94	68.7 Å²	68.7	48%	0.482	35%	0.351	S	S	.	.	H	α-helix	trans	-70.5	-45	177.1	-68.3	167	0	0	0	109.9	R417 I418 R423 A424 A425	R417-I421 HydrophobicContact CG-CD1 3.89Å; R417-I421 HydrophobicContact CG-CG1 4.45Å; R417-I421 VanDerWaalsContact O-CG1 3.27Å; R417-I421 WeakPolarHBondContact O-CG1 3.35Å; R417-I421 PolarHBondContact O-N 3.44Å; I418-I421 PolarHBondContact O-N 3.06Å; I418-I421 VanDerWaalsContact O-N 3.14Å; I421-R423 VanDerWaalsContact C-N 3.25Å; I421-R423 PolarHBondContact O-N 3.22Å; I421-A424 PolarHBondContact O-N 2.85Å; I421-A424 VanDerWaalsContact O-N 3.08Å; I421-A425 HydrophobicContact CG2-CB 4.37Å; I421-A425 WeakPolarHBondContact O-CB 3.5Å; I421-A425 PolarHBondContact O-N 3.47Å
422	S	93.3	Very high	89.8	Confident	11 Å²	11	68.4 Å²	68.4	8%	0.077	35%	0.353	C	S	.	.	H	α-helix	trans	-57.8	-37	-179.5	-60.7	0	0	0	0	112.4	E334 I418 D419 A424 A425 F426	E334-S422 WeakPolarHBondContact CG-OG 3.37Å; I418-S422 WeakPolarHBondContact O-CB 3.48Å; I418-S422 PolarHBondContact O-N 3.23Å; I418-S422 PolarHBondContact O-OG 2.96Å; D419-S422 PolarHBondContact O-N 3.3Å; S422-A424 PolarHBondContact O-N 3.48Å; S422-A425 PolarHBondContact O-N 3.24Å; S422-F426 WeakPolarHBondContact O-CB 3.29Å; S422-F426 PolarHBondContact O-N 3.44Å; S422-F426 VanDerWaalsContact O-N 3.14Å
423	R	93.8	Very high	91	Very high	87 Å²	87	68 Å²	68	33%	0.328	35%	0.348	S	S	.	.	H	α-helix	trans	-57.5	-31.2	176.1	-75.8	169.3	-165.1	-174.8	2.7	114.4	F276 W277 D419 I421 P427	F276-R423 HydrophobicContact CB-CG 3.82Å; F276-R423 PolarHBondContact O-NE 3.48Å; F276-R423 PolarHBondContact O-NH2 3.15Å; W277-R423 HydrophobicContact CZ2-CG 4.4Å; D419-R423 VanDerWaalsContact O-CG 3.23Å; D419-R423 WeakPolarHBondContact O-CG 3.31Å; D419-R423 PolarHBondContact O-N 3.22Å; D419-R423 VanDerWaalsContact O-N 3.09Å; I421-R423 VanDerWaalsContact C-N 3.25Å; I421-R423 PolarHBondContact O-N 3.22Å; R423-P427 WeakPolarHBondContact O-CD 3.46Å; R423-P427 WeakPolarHBondContact O-CG 3.18Å
424	A	94.1	Very high	91.9	Very high	65 Å²	65	65.4 Å²	65.4	54%	0.537	33%	0.334	S	S	.	.	H	α-helix	trans	-98.4	-40.8	178	0	0	0	0	0	111.9	I421 S422 L428	I421-A424 PolarHBondContact O-N 2.85Å; I421-A424 VanDerWaalsContact O-N 3.08Å; S422-A424 PolarHBondContact O-N 3.48Å; A424-L428 VanDerWaalsContact O-CB 3.24Å; A424-L428 WeakPolarHBondContact O-CB 3.28Å; A424-L428 PolarHBondContact O-N 3.04Å
425	A	95.4	Very high	92.8	Very high	46 Å²	46	62 Å²	62	38%	0.38	33%	0.326	S	S	.	.	H	α-helix	trans	-66.7	-43.8	-173.6	0	0	0	0	0	113	I421 S422 A429	I421-A425 HydrophobicContact CG2-CB 4.37Å; I421-A425 WeakPolarHBondContact O-CB 3.5Å; I421-A425 PolarHBondContact O-N 3.47Å; S422-A425 PolarHBondContact O-N 3.24Å; A425-A429 VanDerWaalsContact O-CB 3.23Å; A425-A429 WeakPolarHBondContact O-CB 3.31Å; A425-A429 PolarHBondContact O-N 3.35Å
426	F	95.9	Very high	93.7	Very high	36 Å²	36	68.5 Å²	68.5	16%	0.158	36%	0.355	C	S	.	.	H	α-helix	trans	-65.8	-51.8	-177.6	-85	-111.9	0	0	0	112.5	F276 F327 A330 A331 S422 L428 A429 F430	F276-F426 HydrophobicContact CE2-CB 3.97Å; F276-F426 HydrophobicContact CE2-CD1 4.25Å; F276-F426 HydrophobicContact CE2-CD2 4.18Å; F276-F426 AromaticContact CE2-CG 3.9Å; F276-F426 HydrophobicContact CE2-CG 3.9Å; F276-F426 HydrophobicContact CZ-CB 4.45Å; F276-F426 AromaticContact CZ-CD1 3.92Å; F276-F426 HydrophobicContact CZ-CD1 3.92Å; F276-F426 AromaticContact CZ-CD2 4Å; F276-F426 HydrophobicContact CZ-CD2 4Å; F276-F426 HydrophobicContact CZ-CE1 4.08Å; F276-F426 HydrophobicContact CZ-CE2 4.15Å; F276-F426 AromaticContact CZ-CG 3.88Å; F276-F426 HydrophobicContact CZ-CG 3.88Å; F276-F426 HydrophobicContact CZ-CZ 4.19Å; F327-F426 AromaticContact CD1-CD1 3.99Å; F327-F426 HydrophobicContact CD1-CD1 3.99Å; A330-F426 HydrophobicContact CB-CE1 3.7Å; A330-F426 HydrophobicContact CB-CZ 3.94Å; A331-F426 HydrophobicContact CB-CE1 4.4Å; S422-F426 WeakPolarHBondContact O-CB 3.29Å; S422-F426 PolarHBondContact O-N 3.44Å; S422-F426 VanDerWaalsContact O-N 3.14Å; F426-L428 VanDerWaalsContact C-N 3.34Å; F426-L428 PolarHBondContact O-N 2.89Å; F426-A429 PolarHBondContact O-N 3.06Å; F426-F430 WeakPolarHBondContact O-CB 3.39Å; F426-F430 PolarHBondContact O-N 3.03Å
427	P	96.1	Very high	94.5	Very high	40 Å²	40	63.4 Å²	63.4	26%	0.26	33%	0.332	S	S	.	.	H	α-helix	trans	-61.5	-40.2	176.9	-24.6	35	0	0	0	113.1	W273 R423 F430 L431	W273-P427 HydrophobicContact CD2-CG 4Å; W273-P427 HydrophobicContact CE3-CB 4.16Å; W273-P427 HydrophobicContact CE3-CG 3.73Å; W273-P427 HydrophobicContact CH2-CB 3.91Å; W273-P427 HydrophobicContact CH2-CG 4.28Å; W273-P427 HydrophobicContact CZ2-CB 4.43Å; W273-P427 HydrophobicContact CZ3-CB 3.75Å; W273-P427 HydrophobicContact CZ3-CG 3.87Å; R423-P427 WeakPolarHBondContact O-CD 3.46Å; R423-P427 WeakPolarHBondContact O-CG 3.18Å; P427-F430 PolarHBondContact O-N 3.4Å; P427-L431 WeakPolarHBondContact O-CB 3.35Å; P427-L431 PolarHBondContact O-N 3Å
428	L	96.4	Very high	94.9	Very high	104 Å²	104	59 Å²	59	55%	0.545	32%	0.316	S	S	.	.	H	α-helix	trans	-65.5	-46.4	179.4	-177.5	64.5	0	0	0	111.7	A424 F426 F430 L431 I432	A424-L428 VanDerWaalsContact O-CB 3.24Å; A424-L428 WeakPolarHBondContact O-CB 3.28Å; A424-L428 PolarHBondContact O-N 3.04Å; F426-L428 VanDerWaalsContact C-N 3.34Å; F426-L428 PolarHBondContact O-N 2.89Å; L428-F430 VanDerWaalsContact C-N 3.32Å; L428-F430 PolarHBondContact O-N 3.21Å; L428-L431 PolarHBondContact O-N 2.99Å; L428-I432 HydrophobicContact CG-CD1 4.21Å; L428-I432 VanDerWaalsContact O-CG1 3.3Å; L428-I432 WeakPolarHBondContact O-CG1 3.33Å; L428-I432 PolarHBondContact O-N 3.02Å
429	A	97	Very high	95.3	Very high	45 Å²	45	60.9 Å²	60.9	37%	0.372	33%	0.325	S	S	.	.	H	α-helix	trans	-62.9	-39.8	177.2	0	0	0	0	0	111.8	F327 A425 F426 I432 F433	F327-A429 HydrophobicContact CE1-CB 4.06Å; F327-A429 HydrophobicContact CZ-CB 4.01Å; A425-A429 VanDerWaalsContact O-CB 3.23Å; A425-A429 WeakPolarHBondContact O-CB 3.31Å; A425-A429 PolarHBondContact O-N 3.35Å; F426-A429 PolarHBondContact O-N 3.06Å; A429-I432 PolarHBondContact O-N 2.8Å; A429-F433 PolarHBondContact O-N 3.03Å
430	F	97.3	Very high	95.7	Very high	6 Å²	6	63.6 Å²	63.6	3%	0.026	34%	0.343	C	S	.	.	H	α-helix	trans	-68.5	-36.9	176.9	-168.8	-113.2	0	0	0	112.2	L266 V269 W273 W320 F327 F426 P427 L428 F433 N434	L266-F430 HydrophobicContact CD1-CE1 4.27Å; L266-F430 HydrophobicContact CG-CE1 4.25Å; V269-F430 HydrophobicContact CB-CE1 4.42Å; V269-F430 HydrophobicContact CB-CZ 4.24Å; V269-F430 HydrophobicContact CG1-CD1 4.15Å; V269-F430 HydrophobicContact CG1-CD2 4.15Å; V269-F430 HydrophobicContact CG1-CE1 4.07Å; V269-F430 HydrophobicContact CG1-CE2 4.09Å; V269-F430 HydrophobicContact CG1-CG 4.18Å; V269-F430 HydrophobicContact CG1-CZ 4.05Å; V269-F430 HydrophobicContact CG2-CE2 4.28Å; V269-F430 HydrophobicContact CG2-CZ 4.15Å; W273-F430 HydrophobicContact CH2-CB 4.28Å; W273-F430 AromaticContact CH2-CD1 3.91Å; W273-F430 HydrophobicContact CH2-CD1 3.91Å; W273-F430 HydrophobicContact CH2-CG 4.44Å; W273-F430 HydrophobicContact CZ2-CB 3.8Å; W273-F430 AromaticContact CZ2-CD1 3.83Å; W273-F430 HydrophobicContact CZ2-CD1 3.83Å; W273-F430 AromaticContact CZ2-CG 3.99Å; W273-F430 HydrophobicContact CZ2-CG 3.99Å; W320-F430 HydrophobicContact CH2-CZ 4.33Å; F327-F430 HydrophobicContact CD1-CB 4.33Å; F327-F430 HydrophobicContact CD1-CD2 4.4Å; F327-F430 AromaticContact CD2-CD2 3.7Å; F327-F430 HydrophobicContact CD2-CD2 3.7Å; F327-F430 HydrophobicContact CD2-CE2 4.3Å; F327-F430 HydrophobicContact CE1-CB 3.9Å; F327-F430 HydrophobicContact CE1-CD2 4.43Å; F327-F430 HydrophobicContact CE2-CB 4.47Å; F327-F430 AromaticContact CE2-CD2 3.75Å; F327-F430 HydrophobicContact CE2-CD2 3.75Å; F327-F430 HydrophobicContact CG-CD2 4.05Å; F327-F430 HydrophobicContact CZ-CB 3.98Å; F327-F430 HydrophobicContact CZ-CD2 4.13Å; F426-F430 WeakPolarHBondContact O-CB 3.39Å; F426-F430 PolarHBondContact O-N 3.03Å; P427-F430 PolarHBondContact O-N 3.4Å; L428-F430 VanDerWaalsContact C-N 3.32Å; L428-F430 PolarHBondContact O-N 3.21Å; F430-F433 HydrophobicContact CD2-CD1 4.13Å; F430-F433 AromaticContact CE2-CD1 3.98Å; F430-F433 HydrophobicContact CE2-CD1 3.98Å; F430-F433 HydrophobicContact CE2-CE1 4.33Å; F430-F433 WeakPolarHBondContact O-CB 3.5Å; F430-F433 PolarHBondContact O-N 3.04Å; F430-N434 WeakPolarHBondContact CD1-ND2 3.43Å; F430-N434 WeakPolarHBondContact CE1-ND2 3.47Å; F430-N434 WeakPolarHBondContact CZ-ND2 3.37Å; F430-N434 PolarHBondContact O-N 2.91Å; F430-N434 PolarHBondContact O-ND2 3.05Å
431	L	97.1	Very high	95.8	Very high	100 Å²	100	60.8 Å²	60.8	52%	0.524	32%	0.322	S	S	.	.	H	α-helix	trans	-62.7	-45.1	173.7	-179.4	65.5	0	0	0	111.4	P427 L428 F433 N434 I435	P427-L431 WeakPolarHBondContact O-CB 3.35Å; P427-L431 PolarHBondContact O-N 3Å; L428-L431 PolarHBondContact O-N 2.99Å; L431-F433 VanDerWaalsContact C-N 3.33Å; L431-F433 PolarHBondContact O-N 3.04Å; L431-N434 WeakPolarHBondContact O-CB 3.49Å; L431-N434 PolarHBondContact O-N 2.93Å; L431-I435 HydrophobicContact CD1-CD1 4.5Å; L431-I435 HydrophobicContact CG-CD1 4.21Å; L431-I435 WeakPolarHBondContact O-CG1 3.04Å; L431-I435 PolarHBondContact O-N 3.42Å
432	I	97.7	Very high	95.8	Very high	81 Å²	81	63.9 Å²	63.9	42%	0.415	33%	0.332	S	S	.	.	H	α-helix	trans	-57.3	-49.1	175.1	-69.7	166.6	0	0	0	109.9	L428 A429 N434 I435 F436	L428-I432 HydrophobicContact CG-CD1 4.21Å; L428-I432 VanDerWaalsContact O-CG1 3.3Å; L428-I432 WeakPolarHBondContact O-CG1 3.33Å; L428-I432 PolarHBondContact O-N 3.02Å; A429-I432 PolarHBondContact O-N 2.8Å; I432-N434 VanDerWaalsContact C-N 3.33Å; I432-N434 PolarHBondContact O-N 3.28Å; I432-I435 PolarHBondContact O-N 3.19Å; I432-F436 HydrophobicContact CG2-CD2 3.61Å; I432-F436 HydrophobicContact CG2-CE2 3.61Å; I432-F436 VanDerWaalsContact O-CD2 3.27Å; I432-F436 WeakPolarHBondContact O-CD2 3.16Å; I432-F436 PolarHBondContact O-N 3.07Å
433	F	97.5	Very high	95.8	Very high	38 Å²	38	67.7 Å²	67.7	17%	0.167	35%	0.351	C	S	.	.	H	α-helix	trans	-55.8	-45.9	175.8	166.4	-105.6	0	0	0	112.5	W320 V323 A429 F430 L431 I435 F436 Y437	W320-F433 AromaticContact CE3-CE1 3.69Å; W320-F433 HydrophobicContact CE3-CE1 3.69Å; W320-F433 HydrophobicContact CE3-CZ 4.07Å; W320-F433 AromaticContact CZ3-CE1 3.83Å; W320-F433 HydrophobicContact CZ3-CE1 3.83Å; V323-F433 HydrophobicContact CB-CD2 4.49Å; V323-F433 HydrophobicContact CB-CE1 4.04Å; V323-F433 HydrophobicContact CB-CE2 3.92Å; V323-F433 HydrophobicContact CB-CZ 3.67Å; V323-F433 HydrophobicContact CG1-CD1 3.76Å; V323-F433 HydrophobicContact CG1-CD2 3.84Å; V323-F433 HydrophobicContact CG1-CE1 3.68Å; V323-F433 HydrophobicContact CG1-CE2 3.77Å; V323-F433 HydrophobicContact CG1-CG 3.84Å; V323-F433 HydrophobicContact CG1-CZ 3.68Å; V323-F433 HydrophobicContact CG2-CD2 4.37Å; V323-F433 HydrophobicContact CG2-CE2 3.73Å; V323-F433 HydrophobicContact CG2-CZ 3.93Å; A429-F433 PolarHBondContact O-N 3.03Å; F430-F433 HydrophobicContact CD2-CD1 4.13Å; F430-F433 AromaticContact CE2-CD1 3.98Å; F430-F433 HydrophobicContact CE2-CD1 3.98Å; F430-F433 HydrophobicContact CE2-CE1 4.33Å; F430-F433 WeakPolarHBondContact O-CB 3.5Å; F430-F433 PolarHBondContact O-N 3.04Å; L431-F433 VanDerWaalsContact C-N 3.33Å; L431-F433 PolarHBondContact O-N 3.04Å; F433-I435 PolarHBondContact O-N 3.41Å; F433-F436 PolarHBondContact O-N 3.31Å; F433-Y437 HydrophobicContact CE2-CD2 4.29Å; F433-Y437 AromaticContact CZ-CD2 3.98Å; F433-Y437 HydrophobicContact CZ-CD2 3.98Å; F433-Y437 HydrophobicContact CZ-CG 4.28Å; F433-Y437 VanDerWaalsContact O-CB 3.24Å; F433-Y437 WeakPolarHBondContact O-CB 3Å; F433-Y437 PolarHBondContact O-N 2.97Å
434	N	97.1	Very high	95.6	Very high	21 Å²	21	65.9 Å²	65.9	11%	0.112	35%	0.347	C	S	.	.	H	α-helix	trans	-58.3	-47.3	178.3	-88.5	-92.6	0	0	0	111.7	W320 F430 L431 I432 F436 Y437 W438	W320-N434 WeakPolarHBondContact CH2-OD1 3.28Å; W320-N434 WeakPolarHBondContact CZ3-OD1 3.28Å; F430-N434 WeakPolarHBondContact CD1-ND2 3.43Å; F430-N434 WeakPolarHBondContact CE1-ND2 3.47Å; F430-N434 WeakPolarHBondContact CZ-ND2 3.37Å; F430-N434 PolarHBondContact O-N 2.91Å; F430-N434 PolarHBondContact O-ND2 3.05Å; L431-N434 WeakPolarHBondContact O-CB 3.49Å; L431-N434 PolarHBondContact O-N 2.93Å; I432-N434 VanDerWaalsContact C-N 3.33Å; I432-N434 PolarHBondContact O-N 3.28Å; N434-F436 PolarHBondContact O-N 2.93Å; N434-Y437 PolarHBondContact O-N 2.77Å; N434-W438 PolarHBondContact O-N 3.16Å
435	I	97.1	Very high	95.3	Very high	88 Å²	88	66 Å²	66	45%	0.451	33%	0.334	S	S	.	.	H	α-helix	trans	-59.3	-50.3	179.3	-67.6	168.7	0	0	0	110.1	L431 I432 F433 Y437 I439	L431-I435 HydrophobicContact CD1-CD1 4.5Å; L431-I435 HydrophobicContact CG-CD1 4.21Å; L431-I435 WeakPolarHBondContact O-CG1 3.04Å; L431-I435 PolarHBondContact O-N 3.42Å; I432-I435 PolarHBondContact O-N 3.19Å; F433-I435 PolarHBondContact O-N 3.41Å; I435-Y437 PolarHBondContact O-N 3.06Å; I435-I439 HydrophobicContact CG2-CD1 3.56Å; I435-I439 HydrophobicContact CG2-CG1 4.47Å; I435-I439 WeakPolarHBondContact O-CB 3.2Å; I435-I439 WeakPolarHBondContact O-CG1 3.27Å; I435-I439 PolarHBondContact O-N 2.94Å
436	F	97.2	Very high	94.9	Very high	139 Å²	139	69.3 Å²	69.3	61%	0.61	34%	0.341	S	S	*	.	H	α-helix	trans	-62.5	-44.1	179	-83.4	-72.1	0	0	0	112.6	I432 F433 N434 T440	I432-F436 HydrophobicContact CG2-CD2 3.61Å; I432-F436 HydrophobicContact CG2-CE2 3.61Å; I432-F436 VanDerWaalsContact O-CD2 3.27Å; I432-F436 WeakPolarHBondContact O-CD2 3.16Å; I432-F436 PolarHBondContact O-N 3.07Å; F433-F436 PolarHBondContact O-N 3.31Å; N434-F436 PolarHBondContact O-N 2.93Å; F436-T440 VanDerWaalsContact O-CB 3.24Å; F436-T440 WeakPolarHBondContact O-CB 3.44Å; F436-T440 PolarHBondContact O-N 3.34Å; F436-T440 PolarHBondContact O-OG1 2.96Å
437	Y	96.7	Very high	94.5	Very high	9 Å²	9	72.5 Å²	72.5	4%	0.035	36%	0.356	C	S	.	.	H	α-helix	trans	-58.6	-55.5	179.6	179.8	-92.8	0	0	0	111.2	M181 Y262 A316 W320 F433 N434 I435 I439 T440 Y441	M181-Y437 HydrophobicContact CE-CE1 3.93Å; Y262-Y437 AromaticContact CE1-CE1 3.66Å; Y262-Y437 HydrophobicContact CE1-CE1 3.66Å; Y262-Y437 PolarHBondContact OH-OH 3.02Å; A316-Y437 PolarHBondContact O-OH 3.41Å; W320-Y437 HydrophobicContact CB-CE2 4.01Å; W320-Y437 AromaticContact CE3-CD1 3.83Å; W320-Y437 HydrophobicContact CE3-CD1 3.83Å; W320-Y437 HydrophobicContact CE3-CD2 4.37Å; W320-Y437 AromaticContact CE3-CE1 3.89Å; W320-Y437 HydrophobicContact CE3-CE1 3.89Å; W320-Y437 HydrophobicContact CE3-CE2 4.4Å; W320-Y437 HydrophobicContact CE3-CG 4.1Å; W320-Y437 HydrophobicContact CZ3-CD1 4.15Å; F433-Y437 HydrophobicContact CE2-CD2 4.29Å; F433-Y437 AromaticContact CZ-CD2 3.98Å; F433-Y437 HydrophobicContact CZ-CD2 3.98Å; F433-Y437 HydrophobicContact CZ-CG 4.28Å; F433-Y437 VanDerWaalsContact O-CB 3.24Å; F433-Y437 WeakPolarHBondContact O-CB 3Å; F433-Y437 PolarHBondContact O-N 2.97Å; N434-Y437 PolarHBondContact O-N 2.77Å; I435-Y437 PolarHBondContact O-N 3.06Å; Y437-I439 PolarHBondContact O-N 3.38Å; Y437-T440 PolarHBondContact O-N 3.31Å; Y437-Y441 HydrophobicContact CD1-CD2 4.35Å; Y437-Y441 AromaticContact CD2-CD2 3.83Å; Y437-Y441 HydrophobicContact CD2-CD2 3.83Å; Y437-Y441 AromaticContact CD2-CE2 3.64Å; Y437-Y441 HydrophobicContact CD2-CE2 3.64Å; Y437-Y441 HydrophobicContact CE1-CD2 4.16Å; Y437-Y441 AromaticContact CE2-CD2 3.63Å; Y437-Y441 HydrophobicContact CE2-CD2 3.63Å; Y437-Y441 AromaticContact CE2-CE2 3.32Å; Y437-Y441 HydrophobicContact CE2-CE2 3.32Å; Y437-Y441 HydrophobicContact CG-CD2 4.18Å; Y437-Y441 HydrophobicContact CG-CE2 4.43Å; Y437-Y441 AromaticContact CZ-CD2 3.79Å; Y437-Y441 AromaticContact CZ-CE2 3.88Å; Y437-Y441 VanDerWaalsContact O-CD2 3.3Å; Y437-Y441 WeakPolarHBondContact O-CD2 3.3Å; Y437-Y441 PolarHBondContact O-N 3.08Å; Y437-Y441 VanDerWaalsContact O-N 3.12Å
438	W	95.9	Very high	93.7	Very high	82 Å²	82	73.6 Å²	73.6	31%	0.311	36%	0.36	S	S	.	.	H	α-helix	trans	-67.8	-39	-175.8	-72.8	112.8	0	0	0	112.8	M181 M254 L258 Y262 N434 K442	M181-W438 HydrophobicContact CE-CZ3 4.27Å; M181-W438 HydrophobicContact SD-CE3 4.09Å; M181-W438 HydrophobicContact SD-CZ3 3.78Å; M254-W438 HydrophobicContact CE-CH2 4.25Å; M254-W438 HydrophobicContact CE-CZ3 4.06Å; L258-W438 HydrophobicContact CD2-CH2 3.48Å; L258-W438 VanDerWaalsContact CD2-CH2 3.48Å; L258-W438 HydrophobicContact CD2-CZ2 3.97Å; L258-W438 HydrophobicContact CD2-CZ3 4.39Å; Y262-W438 AromaticContact CD1-CH2 3.97Å; Y262-W438 HydrophobicContact CD1-CH2 3.97Å; Y262-W438 AromaticContact CD1-CZ2 3.62Å; Y262-W438 HydrophobicContact CD1-CZ2 3.62Å; Y262-W438 HydrophobicContact CD2-CH2 4.32Å; Y262-W438 AromaticContact CE1-CH2 3.87Å; Y262-W438 HydrophobicContact CE1-CH2 3.87Å; Y262-W438 AromaticContact CE1-CZ2 3.81Å; Y262-W438 HydrophobicContact CE1-CZ2 3.81Å; Y262-W438 HydrophobicContact CE2-CH2 4.23Å; Y262-W438 HydrophobicContact CG-CH2 4.21Å; Y262-W438 HydrophobicContact CG-CZ2 4.08Å; Y262-W438 AromaticContact CZ-CH2 4Å; N434-W438 PolarHBondContact O-N 3.16Å; W438-K442 WeakPolarHBondContact O-CB 3.46Å; W438-K442 PolarHBondContact O-N 3.14Å
439	I	95.7	Very high	92.8	Very high	92 Å²	92	70.7 Å²	70.7	47%	0.472	35%	0.347	S	S	.	.	H	α-helix	trans	-64.5	-47.9	177.2	-69.5	173.7	0	0	0	110.4	I435 Y437 Y441 K442 I443	I435-I439 HydrophobicContact CG2-CD1 3.56Å; I435-I439 HydrophobicContact CG2-CG1 4.47Å; I435-I439 WeakPolarHBondContact O-CB 3.2Å; I435-I439 WeakPolarHBondContact O-CG1 3.27Å; I435-I439 PolarHBondContact O-N 2.94Å; Y437-I439 PolarHBondContact O-N 3.38Å; I439-Y441 PolarHBondContact O-N 2.89Å; I439-K442 PolarHBondContact O-N 3.42Å; I439-I443 HydrophobicContact CG2-CD1 3.65Å; I439-I443 HydrophobicContact CG2-CG1 4.38Å; I439-I443 VanDerWaalsContact O-CG1 3.31Å; I439-I443 WeakPolarHBondContact O-CG1 3.44Å; I439-I443 PolarHBondContact O-N 3.07Å
440	T	94.9	Very high	91.6	Very high	66 Å²	66	74.6 Å²	74.6	41%	0.405	36%	0.357	S	S	.	.	H	α-helix	trans	-59.7	-51.7	-177.5	-57.4	0	0	0	0	111	F436 Y437 K442 I443 I444	F436-T440 VanDerWaalsContact O-CB 3.24Å; F436-T440 WeakPolarHBondContact O-CB 3.44Å; F436-T440 PolarHBondContact O-N 3.34Å; F436-T440 PolarHBondContact O-OG1 2.96Å; Y437-T440 PolarHBondContact O-N 3.31Å; T440-K442 VanDerWaalsContact C-N 3.31Å; T440-K442 PolarHBondContact O-N 3.43Å; T440-I443 PolarHBondContact O-N 2.94Å; T440-I444 HydrophobicContact CG2-CD1 3.77Å; T440-I444 HydrophobicContact CG2-CG1 4.48Å; T440-I444 VanDerWaalsContact O-CG1 3.31Å; T440-I444 WeakPolarHBondContact O-CG1 3.47Å; T440-I444 PolarHBondContact O-N 2.86Å
441	Y	93.6	Very high	89.9	Confident	27 Å²	27	82.5 Å²	82.5	11%	0.106	39%	0.392	C	S	.	.	H	α-helix	trans	-71.6	-24.8	-178.9	-75.8	-69.1	0	0	0	113.8	M181 A316 I319 Y437 I439 I444 R445	M181-Y441 HydrophobicContact CE-CD1 4.23Å; M181-Y441 HydrophobicContact CE-CD2 3.93Å; M181-Y441 HydrophobicContact CE-CG 3.55Å; M181-Y441 VanDerWaalsContact SD-CB 3.59Å; M181-Y441 HydrophobicContact SD-CG 4.48Å; A316-Y441 WeakPolarHBondContact CA-OH 3.24Å; A316-Y441 HydrophobicContact CB-CD1 3.92Å; A316-Y441 HydrophobicContact CB-CD2 4.37Å; A316-Y441 HydrophobicContact CB-CE1 3.32Å; A316-Y441 HydrophobicContact CB-CE2 3.85Å; A316-Y441 HydrophobicContact CB-CG 4.41Å; A316-Y441 WeakPolarHBondContact CB-OH 3.35Å; I319-Y441 WeakPolarHBondContact CD1-OH 3.44Å; Y437-Y441 HydrophobicContact CD1-CD2 4.35Å; Y437-Y441 AromaticContact CD2-CD2 3.83Å; Y437-Y441 HydrophobicContact CD2-CD2 3.83Å; Y437-Y441 AromaticContact CD2-CE2 3.64Å; Y437-Y441 HydrophobicContact CD2-CE2 3.64Å; Y437-Y441 HydrophobicContact CE1-CD2 4.16Å; Y437-Y441 AromaticContact CE2-CD2 3.63Å; Y437-Y441 HydrophobicContact CE2-CD2 3.63Å; Y437-Y441 AromaticContact CE2-CE2 3.32Å; Y437-Y441 HydrophobicContact CE2-CE2 3.32Å; Y437-Y441 HydrophobicContact CG-CD2 4.18Å; Y437-Y441 HydrophobicContact CG-CE2 4.43Å; Y437-Y441 AromaticContact CZ-CD2 3.79Å; Y437-Y441 AromaticContact CZ-CE2 3.88Å; Y437-Y441 VanDerWaalsContact O-CD2 3.3Å; Y437-Y441 WeakPolarHBondContact O-CD2 3.3Å; Y437-Y441 PolarHBondContact O-N 3.08Å; Y437-Y441 VanDerWaalsContact O-N 3.12Å; I439-Y441 PolarHBondContact O-N 2.89Å; Y441-I444 HydrophobicContact CD1-CD1 4.36Å; Y441-I444 HydrophobicContact CE1-CD1 4.48Å; Y441-R445 WeakPolarHBondContact O-CB 3.49Å; Y441-R445 PolarHBondContact O-N 3.15Å
442	K	92.3	Very high	87.7	Confident	159 Å²	159	86.1 Å²	86.1	69%	0.691	40%	0.403	S	S	*	.	H	α-helix	trans	-68.7	-42.2	170.4	-174.8	-179.2	177.6	-174.9	0	111.7	W438 I439 T440 H446	W438-K442 WeakPolarHBondContact O-CB 3.46Å; W438-K442 PolarHBondContact O-N 3.14Å; I439-K442 PolarHBondContact O-N 3.42Å; T440-K442 VanDerWaalsContact C-N 3.31Å; T440-K442 PolarHBondContact O-N 3.43Å; K442-H446 WeakPolarHBondContact O-CB 3.27Å; K442-H446 PolarHBondContact O-N 3.22Å
443	I	92.7	Very high	87.2	Confident	90 Å²	90	86.4 Å²	86.4	46%	0.462	40%	0.402	S	S	.	.	H	α-helix	trans	-65.7	-48.9	176.8	-67.4	167.6	0	0	0	110.1	I439 T440 R445 H446 E447	I439-I443 HydrophobicContact CG2-CD1 3.65Å; I439-I443 HydrophobicContact CG2-CG1 4.38Å; I439-I443 VanDerWaalsContact O-CG1 3.31Å; I439-I443 WeakPolarHBondContact O-CG1 3.44Å; I439-I443 PolarHBondContact O-N 3.07Å; T440-I443 PolarHBondContact O-N 2.94Å; I443-R445 VanDerWaalsContact C-N 3.3Å; I443-R445 PolarHBondContact O-N 3.1Å; I443-H446 WeakPolarHBondContact O-CB 3.49Å; I443-H446 PolarHBondContact O-N 3.04Å; I443-E447 PolarHBondContact O-N 3.2Å
444	I	90.5	Very high	86.7	Confident	50 Å²	50	88.9 Å²	88.9	26%	0.256	42%	0.415	S	S	.	.	H	α-helix	trans	-57.3	-45.9	178	-67.7	169.1	0	0	0	110.5	N178 T440 Y441 H446 E447 D448	N178-I444 WeakPolarHBondContact ND2-CG2 3.41Å; T440-I444 HydrophobicContact CG2-CD1 3.77Å; T440-I444 HydrophobicContact CG2-CG1 4.48Å; T440-I444 VanDerWaalsContact O-CG1 3.31Å; T440-I444 WeakPolarHBondContact O-CG1 3.47Å; T440-I444 PolarHBondContact O-N 2.86Å; Y441-I444 HydrophobicContact CD1-CD1 4.36Å; Y441-I444 HydrophobicContact CE1-CD1 4.48Å; I444-H446 VanDerWaalsContact C-N 3.3Å; I444-H446 PolarHBondContact O-N 3.18Å; I444-E447 PolarHBondContact O-N 2.89Å; I444-D448 WeakPolarHBondContact O-CB 3.33Å; I444-D448 PolarHBondContact O-N 3.27Å
445	R	87.4	Confident	86.1	Confident	67 Å²	67	92.7 Å²	92.7	25%	0.253	43%	0.432	S	S	.	.	H	α-helix	trans	-59.3	-41.7	176.1	-179.8	-177.3	176.5	178	-1.9	112.1	E251 Y441 I443 D448 V449	E251-R445 IonicContact OE1-CZ 2.93Å; E251-R445 IonicContact OE1-NE 3.31Å; E251-R445 IonicContact OE1-NH2 3.42Å; E251-R445 PolarHBondContact OE1-NH2 2.89Å; Y441-R445 WeakPolarHBondContact O-CB 3.49Å; Y441-R445 PolarHBondContact O-N 3.15Å; I443-R445 VanDerWaalsContact C-N 3.3Å; I443-R445 PolarHBondContact O-N 3.1Å; R445-D448 PolarHBondContact O-N 3.34Å; R445-V449 VanDerWaalsContact O-CG2 3.26Å; R445-V449 WeakPolarHBondContact O-CG2 3.26Å; R445-V449 PolarHBondContact O-N 2.95Å; R445-V449 VanDerWaalsContact O-N 3.09Å
446	H	86.8	Confident	85.4	Confident	115 Å²	115	93 Å²	93	53%	0.532	43%	0.43	S	S	.	.	H	α-helix	trans	-65	-43.6	177.7	-175.1	-85.1	0	0	0	111.2	K442 I443 I444 V449 H450	K442-H446 WeakPolarHBondContact O-CB 3.27Å; K442-H446 PolarHBondContact O-N 3.22Å; I443-H446 WeakPolarHBondContact O-CB 3.49Å; I443-H446 PolarHBondContact O-N 3.04Å; I444-H446 VanDerWaalsContact C-N 3.3Å; I444-H446 PolarHBondContact O-N 3.18Å; H446-V449 PolarHBondContact O-N 2.89Å; H446-H450 AromaticContact CD2-CD2 3.69Å; H446-H450 AromaticContact CD2-NE2 3.79Å; H446-H450 AromaticContact CE1-CD2 3.13Å; H446-H450 PolarHBondContact CE1-CD2 3.15Å; H446-H450 AromaticContact CE1-NE2 3.51Å; H446-H450 AromaticContact CG-CD2 3.75Å; H446-H450 AromaticContact ND1-CD2 3.4Å; H446-H450 PolarHBondContact ND1-CD2 3.24Å; H446-H450 AromaticContact NE2-CD2 3.35Å; H446-H450 PolarHBondContact NE2-CD2 3.4Å; H446-H450 VanDerWaalsContact NE2-CD2 3.35Å; H446-H450 AromaticContact NE2-NE2 3.28Å; H446-H450 PolarHBondContact NE2-NE2 3.39Å; H446-H450 WeakPolarHBondContact O-CB 3.37Å; H446-H450 PolarHBondContact O-CD2 3.35Å; H446-H450 PolarHBondContact O-N 2.75Å
447	E	86.8	Confident	84.7	Confident	103 Å²	103	90.1 Å²	90.1	48%	0.481	42%	0.419	S	S	.	.	H	α-helix	trans	-61.1	-46	173.7	-71	-175.7	-175.2	0	0	111.8	I443 I444 V449 H450 K451	I443-E447 PolarHBondContact O-N 3.2Å; I444-E447 PolarHBondContact O-N 2.89Å; E447-V449 PolarHBondContact O-N 3.45Å; E447-H450 PolarHBondContact O-N 3Å; E447-H450 VanDerWaalsContact O-N 3.08Å; E447-K451 WeakPolarHBondContact O-CB 3.4Å; E447-K451 PolarHBondContact O-N 3.1Å
448	D	80.2	Confident	83.9	Confident	63 Å²	63	95.5 Å²	95.5	34%	0.337	45%	0.445	S	S	.	.	H	α-helix	trans	-60.3	-29.7	178.4	-73.4	-19.6	0	0	0	112.5	N178 I444 R445	N178-D448 PolarHBondContact ND2-OD2 2.65Å; I444-D448 WeakPolarHBondContact O-CB 3.33Å; I444-D448 PolarHBondContact O-N 3.27Å; R445-D448 PolarHBondContact O-N 3.34Å
449	V	77.1	Confident	83	Confident	44 Å²	44	96.5 Å²	96.5	27%	0.267	45%	0.454	S	S	.	.	H	α-helix	trans	-77.6	-37.8	175	167.9	0	0	0	0	112.4	V183 K224 R445 H446 E447	V183-V449 HydrophobicContact CG2-CG2 3.91Å; K224-V449 VanDerWaalsContact NZ-CG1 3.33Å; R445-V449 VanDerWaalsContact O-CG2 3.26Å; R445-V449 WeakPolarHBondContact O-CG2 3.26Å; R445-V449 PolarHBondContact O-N 2.95Å; R445-V449 VanDerWaalsContact O-N 3.09Å; H446-V449 PolarHBondContact O-N 2.89Å; E447-V449 PolarHBondContact O-N 3.45Å
450	H	72.5	Confident	82.1	Confident	126 Å²	126	96.8 Å²	96.8	58%	0.583	45%	0.453	S	S	*	.	H	α-helix	trans	-99	-12.7	-172.3	-77.4	-70.9	0	0	0	115.4	H446 E447 K452	H446-H450 AromaticContact CD2-CD2 3.69Å; H446-H450 AromaticContact CD2-NE2 3.79Å; H446-H450 AromaticContact CE1-CD2 3.13Å; H446-H450 PolarHBondContact CE1-CD2 3.15Å; H446-H450 AromaticContact CE1-NE2 3.51Å; H446-H450 AromaticContact CG-CD2 3.75Å; H446-H450 AromaticContact ND1-CD2 3.4Å; H446-H450 PolarHBondContact ND1-CD2 3.24Å; H446-H450 AromaticContact NE2-CD2 3.35Å; H446-H450 PolarHBondContact NE2-CD2 3.4Å; H446-H450 VanDerWaalsContact NE2-CD2 3.35Å; H446-H450 AromaticContact NE2-NE2 3.28Å; H446-H450 PolarHBondContact NE2-NE2 3.39Å; H446-H450 WeakPolarHBondContact O-CB 3.37Å; H446-H450 PolarHBondContact O-CD2 3.35Å; H446-H450 PolarHBondContact O-N 2.75Å; E447-H450 PolarHBondContact O-N 3Å; E447-H450 VanDerWaalsContact O-N 3.08Å; H450-K452 PolarHBondContact O-N 3.46Å; H450-K452 VanDerWaalsContact O-N 3.1Å
451	K	62	Low	81	Confident	173 Å²	173	99.4 Å²	99.4	75%	0.752	46%	0.457	S	S	*	.			trans	-79.5	19.7	-180	-154.8	173.7	-171.8	173.3	0	112.6	E447	E447-K451 WeakPolarHBondContact O-CB 3.4Å; E447-K451 PolarHBondContact O-N 3.1Å
452	K	50.1	Low	79.8	Confident	176 Å²	176	106 Å²	106	77%	0.765	49%	0.489	S	S	*	.			trans	-130.5	0	-177.7	-70.1	-175	178.8	176.2	0	110	T185 H450	T185-K452 PolarHBondContact OG1-NZ 3.24Å; T185-K452 VanDerWaalsContact OG1-NZ 3.15Å; H450-K452 PolarHBondContact O-N 3.46Å; H450-K452 VanDerWaalsContact O-N 3.1Å

Retrieved 452 of 452 residues in 327 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).