A0A075BSP6_HUMAN Loading...

Aminopeptidase

AlphaFold DB , UniProt , Accession A0A075BSP6, Species HUMAN (Homo sapiens, Human), Gene ERAP1, Length 724 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.9	Very low	33.3	Very low	245 Å²	245	158.3 Å²	158.3	100%	1.207	82%	0.824	S	S	*	*				0	112.5	0	-79.8	177	171.1	0	0	105.5
2	V	30.1	Very low	34	Very low	142 Å²	142	153 Å²	153	86%	0.861	80%	0.804	S	S	*	*			cis	-149.7	152.3	24.5	164.6	0	0	0	0	107.8
3	F	24.9	Very low	34.1	Very low	187 Å²	187	153.2 Å²	153.2	82%	0.82	80%	0.801	S	S	*	*			trans	-81	149.7	-175	-93	-100.9	0	0	0	114.9
4	L	29.6	Very low	34.5	Very low	148 Å²	148	149.4 Å²	149.4	78%	0.775	79%	0.793	S	S	*	*			trans	61.9	169.4	142.4	-72.6	159	0	0	0	119.6
5	P	38.7	Very low	34.7	Very low	95 Å²	95	151.6 Å²	151.6	62%	0.617	79%	0.794	S	S	*	*			cis	-135.9	168.9	-46.8	34.5	-17.6	0	0	0	113.8	K7	P5-K7 PolarHBondContact O-N 3.35Å
6	L	38.7	Very low	34.9	Very low	155 Å²	155	149.9 Å²	149.9	81%	0.812	79%	0.785	S	S	*	*			trans	-59.5	126.9	158.4	-101.3	77.4	0	0	0	110.9
7	K	29.5	Very low	35	Very low	195 Å²	195	147.9 Å²	147.9	85%	0.848	78%	0.775	S	S	*	*			trans	-131.7	109.4	155.1	-85.9	-173.9	176.1	-179.4	0	108.2	P5	P5-K7 PolarHBondContact O-N 3.35Å
8	W	32.8	Very low	35	Very low	220 Å²	220	144.3 Å²	144.3	83%	0.833	76%	0.764	S	S	*	*			trans	-93	128.3	159.2	-80.8	64.2	0	0	0	108.2
9	S	30.4	Very low	35.1	Very low	98 Å²	98	140.3 Å²	140.3	69%	0.685	75%	0.749	S	S	*	*			trans	-84.6	139	176	168.7	0	0	0	0	110.2	A11	S9-A11 PolarHBondContact O-N 2.8Å
10	L	39.1	Very low	35	Very low	169 Å²	169	139.6 Å²	139.6	89%	0.885	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	28	-173.9	-100.2	131.7	0	0	0	116.1
11	A	39.2	Very low	35	Very low	87 Å²	87	139.3 Å²	139.3	72%	0.719	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.3	5.7	-174.5	0	0	0	0	0	115.4	S9	S9-A11 PolarHBondContact O-N 2.8Å
12	T	41.9	Very low	35.1	Very low	95 Å²	95	131.6 Å²	131.6	58%	0.583	72%	0.717	S	S	*	*	S	Bend	trans	-118.7	12.2	177.3	46.5	0	0	0	0	114
13	M	36.1	Very low	35.3	Very low	155 Å²	155	131.4 Å²	131.4	76%	0.764	71%	0.711	S	S	*	*	S	Bend	trans	-107.8	22.9	-177.9	-143.7	-179.8	159.8	0	0	113.5
14	S	39.3	Very low	35.8	Very low	100 Å²	100	129.3 Å²	129.3	70%	0.699	71%	0.707	S	S	*	*	S	Bend	trans	-130.5	5.9	176.6	-153.1	0	0	0	0	114.8
15	F	37.5	Very low	36.2	Very low	183 Å²	183	128.5 Å²	128.5	80%	0.803	71%	0.709	S	S	*	*	S	Bend	trans	-114.8	2.7	172.9	-99.8	-81.7	0	0	0	114.2
16	L	37.6	Very low	35.9	Very low	124 Å²	124	129.7 Å²	129.7	65%	0.649	71%	0.714	S	S	*	*	S	Bend	trans	-108.4	-2	176.7	-91.1	154.2	0	0	0	113.9
17	L	36.8	Very low	35.5	Very low	117 Å²	117	127 Å²	127	61%	0.613	71%	0.708	S	S	*	*	S	Bend	trans	-102.9	-13.3	175.3	-105.6	101	0	0	0	114.5
18	S	35.1	Very low	35.5	Very low	83 Å²	83	123.8 Å²	123.8	58%	0.58	71%	0.705	S	S	*	*	S	Bend	trans	-92.1	-11.5	176.2	32.9	0	0	0	0	113.7
19	S	36.1	Very low	35.3	Very low	68 Å²	68	118.2 Å²	118.2	48%	0.476	70%	0.697	S	S	.	*	S	Bend	trans	-97.4	-4.6	170.8	41.4	0	0	0	0	113.8
20	L	34.4	Very low	35.2	Very low	125 Å²	125	118.1 Å²	118.1	65%	0.654	70%	0.697	S	S	*	*	S	Bend	trans	-103.6	-6	176	-116.3	97.4	0	0	0	114.8
21	L	34.6	Very low	34.6	Very low	134 Å²	134	121.6 Å²	121.6	70%	0.702	70%	0.698	S	S	*	*	S	Bend	trans	-108.2	-2.5	177.2	-104.2	93.8	0	0	0	115.2
22	A	34.4	Very low	34.1	Very low	83 Å²	83	122.8 Å²	122.8	69%	0.686	70%	0.7	S	S	*	*	S	Bend	trans	-95.8	16.2	171.9	0	0	0	0	0	113.6
23	L	34.8	Very low	33.5	Very low	138 Å²	138	126 Å²	126	72%	0.723	71%	0.708	S	S	*	*	S	Bend	trans	-122.2	12.3	176.8	-93.2	150.2	0	0	0	113.2
24	L	34.9	Very low	33.2	Very low	143 Å²	143	123.9 Å²	123.9	75%	0.749	71%	0.709	S	S	*	*	S	Bend	trans	-111.8	18.3	179	-89.1	163.6	0	0	0	114.7
25	T	39.1	Very low	32.7	Very low	132 Å²	132	124.3 Å²	124.3	81%	0.81	71%	0.707	S	S	*	*			trans	-135.6	64.2	167.3	58.9	0	0	0	0	110.4
26	V	32.2	Very low	32.7	Very low	120 Å²	120	122.6 Å²	122.6	73%	0.727	70%	0.702	S	S	*	*			trans	-107.2	109.4	156.2	-179.9	0	0	0	0	105.8	T28	V26-T28 PolarHBondContact O-N 3.29Å
27	S	30.4	Very low	32.8	Very low	97 Å²	97	120.5 Å²	120.5	68%	0.678	70%	0.703	S	S	*	*			trans	-31.3	128.3	165.1	44.1	0	0	0	0	111.1	P29	S27-P29 WeakPolarHBondContact O-CD 3.28Å
28	T	29.2	Very low	33.1	Very low	128 Å²	128	117.7 Å²	117.7	79%	0.785	69%	0.692	S	S	*	*			trans	-32.8	115.1	163.9	48.1	0	0	0	0	109.7	V26 S30	V26-T28 PolarHBondContact O-N 3.29Å; T28-S30 VanDerWaalsContact C-N 3.32Å; T28-S30 PolarHBondContact O-N 2.89Å
29	P	28.8	Very low	33.8	Very low	104 Å²	104	115.4 Å²	115.4	68%	0.675	68%	0.676	S	S	*	*			trans	-64.2	111.7	159.5	21.1	-15.1	0	0	0	103.4	S27 W31	S27-P29 WeakPolarHBondContact O-CD 3.28Å; P29-W31 VanDerWaalsContact C-N 3.33Å; P29-W31 PolarHBondContact O-N 3.05Å
30	S	27.9	Very low	34	Very low	96 Å²	96	119.8 Å²	119.8	67%	0.671	69%	0.686	S	S	*	*			trans	-42.7	111.7	157.3	51.9	0	0	0	0	105.4	T28 C32	T28-S30 VanDerWaalsContact C-N 3.32Å; T28-S30 PolarHBondContact O-N 2.89Å; S30-C32 PolarHBondContact O-N 3.24Å
31	W	27.1	Very low	34.8	Very low	242 Å²	242	119.5 Å²	119.5	92%	0.917	68%	0.676	S	S	*	*			trans	-60	85.9	158.4	-86	47.8	0	0	0	104.6	P29 Q33	P29-W31 VanDerWaalsContact C-N 3.33Å; P29-W31 PolarHBondContact O-N 3.05Å; W31-Q33 PolarHBondContact O-N 3.19Å
32	C	27	Very low	35.5	Very low	111 Å²	111	119.2 Å²	119.2	75%	0.75	69%	0.686	S	S	*	*			trans	-54.9	104.4	148.3	-100.3	0	0	0	0	102.8	S30 S34	S30-C32 PolarHBondContact O-N 3.24Å; C32-S34 PolarHBondContact O-N 3.49Å
33	Q	29.8	Very low	36.2	Very low	163 Å²	163	119.1 Å²	119.1	76%	0.762	67%	0.674	S	S	*	*			trans	-41.4	103.9	146.8	-73.5	170.7	-25.4	0	0	105	W31 T35	W31-Q33 PolarHBondContact O-N 3.19Å; Q33-T35 PolarHBondContact O-N 3.22Å
34	S	29.4	Very low	37.4	Very low	111 Å²	111	114.9 Å²	114.9	78%	0.776	66%	0.663	S	S	*	*			trans	-65.9	83	154	55.4	0	0	0	0	103.8	C32 E36	C32-S34 PolarHBondContact O-N 3.49Å; S34-E36 VanDerWaalsContact C-N 3.3Å; S34-E36 PolarHBondContact O-N 3.38Å
35	T	30.3	Very low	39.3	Very low	109 Å²	109	111.2 Å²	111.2	67%	0.669	65%	0.647	S	S	*	*			trans	-47.9	109.2	152.5	44	0	0	0	0	104	Q33 A37	Q33-T35 PolarHBondContact O-N 3.22Å; T35-A37 PolarHBondContact O-N 2.75Å
36	E	36.7	Very low	41.6	Very low	146 Å²	146	108.2 Å²	108.2	68%	0.682	63%	0.629	S	S	*	*			trans	-45.2	110.2	167.5	-79.4	179.6	151.4	0	0	105.8	S34 S38 N50	S34-E36 VanDerWaalsContact C-N 3.3Å; S34-E36 PolarHBondContact O-N 3.38Å; E36-S38 PolarHBondContact O-N 2.98Å; E36-N50 PolarHBondContact OE2-ND2 3Å
37	A	39	Very low	44.6	Very low	81 Å²	81	102.9 Å²	102.9	67%	0.669	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-61	119.5	-175.1	0	0	0	0	0	106.3	T35	T35-A37 PolarHBondContact O-N 2.75Å
38	S	43.2	Very low	47.6	Very low	57 Å²	57	101.1 Å²	101.1	40%	0.399	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-47.2	129.9	176.8	-52.3	0	0	0	0	108.6	E36 K40	E36-S38 PolarHBondContact O-N 2.98Å; S38-K40 WeakPolarHBondContact O-CG 3.49Å; S38-K40 PolarHBondContact O-N 3.3Å; S38-K40 VanDerWaalsContact O-N 3.09Å
39	P	50.5	Low	50.9	Low	35 Å²	35	97.2 Å²	97.2	23%	0.227	55%	0.554	C	S	.	*	P	Polyproline II helix	trans	-55.7	123.2	-176.1	17.2	-26.8	0	0	0	109.5	F47 N50 H125	P39-F47 HydrophobicContact CG-CB 4.41Å; P39-F47 PolarHBondContact O-N 2.84Å; P39-F47 VanDerWaalsContact O-N 3.1Å; P39-N50 HydrophobicContact CG-CB 4.49Å; P39-H125 WeakPolarHBondContact CB-NE2 3.34Å
40	K	41.2	Very low	54	Low	161 Å²	161	95.3 Å²	95.3	70%	0.7	54%	0.538	S	S	*	.	B	Isolated β-bridge	trans	-93.1	132.9	-174.6	-64.4	-174.5	-179.1	179.5	0	109.8	S38	S38-K40 WeakPolarHBondContact O-CG 3.49Å; S38-K40 PolarHBondContact O-N 3.3Å; S38-K40 VanDerWaalsContact O-N 3.09Å
41	R	50.8	Low	57.3	Low	118 Å²	118	96.4 Å²	96.4	45%	0.445	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-67.6	168.5	172.9	-175	168.6	-179	-157.2	18.3	111.5	D43 G44 T45	R41-D43 VanDerWaalsContact CB-OD1 3.26Å; R41-D43 WeakPolarHBondContact CB-OD1 3.45Å; R41-D43 VanDerWaalsContact CD-CG 3.42Å; R41-D43 VanDerWaalsContact CD-OD1 3.25Å; R41-D43 WeakPolarHBondContact CD-OD1 3.16Å; R41-D43 VanDerWaalsContact CD-OD2 3.31Å; R41-D43 WeakPolarHBondContact CD-OD2 3.46Å; R41-D43 HydrophobicContact CG-CB 4.41Å; R41-D43 WeakPolarHBondContact CG-OD1 3.31Å; R41-D43 IonicContact CZ-OD2 2.78Å; R41-D43 VanDerWaalsContact CZ-OD2 3.32Å; R41-D43 IonicContact NE-OD2 3.99Å; R41-D43 PolarHBondContact NE-OD2 3.07Å; R41-D43 IonicContact NH1-OD2 3.59Å; R41-D43 PolarHBondContact NH1-OD2 2.95Å; R41-D43 PolarHBondContact O-N 2.74Å; R41-G44 PolarHBondContact O-N 2.97Å; R41-T45 PolarHBondContact N-O 2.8Å
42	S	49.3	Very low	60.6	Low	128 Å²	128	87.2 Å²	87.2	90%	0.895	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-15.7	165	51.6	0	0	0	0	114.4
43	D	48.8	Very low	64	Low	82 Å²	82	85.2 Å²	85.2	44%	0.439	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-1.6	178.2	73.3	4.3	0	0	0	114.4	R41 T45	R41-D43 VanDerWaalsContact CB-OD1 3.26Å; R41-D43 WeakPolarHBondContact CB-OD1 3.45Å; R41-D43 VanDerWaalsContact CD-CG 3.42Å; R41-D43 VanDerWaalsContact CD-OD1 3.25Å; R41-D43 WeakPolarHBondContact CD-OD1 3.16Å; R41-D43 VanDerWaalsContact CD-OD2 3.31Å; R41-D43 WeakPolarHBondContact CD-OD2 3.46Å; R41-D43 HydrophobicContact CG-CB 4.41Å; R41-D43 WeakPolarHBondContact CG-OD1 3.31Å; R41-D43 IonicContact CZ-OD2 2.78Å; R41-D43 VanDerWaalsContact CZ-OD2 3.32Å; R41-D43 IonicContact NE-OD2 3.99Å; R41-D43 PolarHBondContact NE-OD2 3.07Å; R41-D43 IonicContact NH1-OD2 3.59Å; R41-D43 PolarHBondContact NH1-OD2 2.95Å; R41-D43 PolarHBondContact O-N 2.74Å; D43-T45 PolarHBondContact OD1-N 3.39Å; D43-T45 PolarHBondContact OD1-OG1 3.41Å; D43-T45 VanDerWaalsContact OD1-OG1 3.14Å
44	G	59.5	Low	67.2	Low	49 Å²	49	77.7 Å²	77.7	51%	0.505	44%	0.441	S	S	.	.	S	Bend	trans	89.1	-6.2	176.5	0	0	0	0	0	117.2	R41	R41-G44 PolarHBondContact O-N 2.97Å
45	T	75	Confident	70.5	Confident	65 Å²	65	72.7 Å²	72.7	40%	0.399	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-77.2	126.9	176	-33.4	0	0	0	0	110.1	R41 D43	R41-T45 PolarHBondContact N-O 2.8Å; D43-T45 PolarHBondContact OD1-N 3.39Å; D43-T45 PolarHBondContact OD1-OG1 3.41Å; D43-T45 VanDerWaalsContact OD1-OG1 3.14Å
46	P	88.3	Confident	73.7	Confident	69 Å²	69	74.4 Å²	74.4	45%	0.448	41%	0.406	S	S	.	.	B	Isolated β-bridge	trans	-73.1	135	-180	27.9	-32.1	0	0	0	111.2
47	F	93.7	Very high	76.6	Confident	8 Å²	8	69.9 Å²	69.9	4%	0.035	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-74.7	132.8	171	-165.9	-110.3	0	0	0	109.4	P39 W49 I94 L123 H125 Q130 A132	P39-F47 HydrophobicContact CG-CB 4.41Å; P39-F47 PolarHBondContact O-N 2.84Å; P39-F47 VanDerWaalsContact O-N 3.1Å; F47-W49 HydrophobicContact CD1-CB 4.3Å; F47-W49 VanDerWaalsContact CD1-O 3.23Å; F47-W49 WeakPolarHBondContact CD1-O 3.09Å; F47-W49 HydrophobicContact CE1-CB 4.08Å; F47-W49 PolarHBondContact O-N 3.04Å; F47-W49 VanDerWaalsContact O-N 3.11Å; F47-I94 HydrophobicContact CZ-CD1 4.43Å; F47-L123 HydrophobicContact CD2-CB 4.11Å; F47-L123 HydrophobicContact CE2-CB 4.24Å; F47-H125 HydrophobicContact CB-CB 4.48Å; F47-H125 HydrophobicContact CD1-CB 3.71Å; F47-H125 HydrophobicContact CD2-CB 3.73Å; F47-H125 HydrophobicContact CE1-CB 3.76Å; F47-H125 HydrophobicContact CE2-CB 3.75Å; F47-H125 HydrophobicContact CG-CB 3.73Å; F47-H125 HydrophobicContact CZ-CB 3.79Å; F47-Q130 HydrophobicContact CE1-CB 4.12Å; F47-Q130 HydrophobicContact CZ-CB 3.92Å; F47-A132 HydrophobicContact CD2-CB 4.22Å; F47-A132 HydrophobicContact CE2-CB 3.52Å; F47-A132 HydrophobicContact CZ-CB 3.82Å
48	P	95.1	Very high	79.4	Confident	60 Å²	60	66.2 Å²	66.2	39%	0.39	35%	0.352	S	S	.	.	S	Bend	trans	-76.9	4.6	-168.2	30.5	-36.7	0	0	0	114.8	T92 I94 A132 L134	P48-T92 HydrophobicContact CB-CG2 4.14Å; P48-T92 HydrophobicContact CG-CG2 3.65Å; P48-I94 HydrophobicContact CG-CD1 4.01Å; P48-A132 HydrophobicContact CG-CB 3.59Å; P48-L134 HydrophobicContact CG-CD2 4.26Å
49	W	96.8	Very high	82	Confident	47 Å²	47	67 Å²	67	18%	0.178	35%	0.351	C	S	.	.			trans	-138.4	142	179.8	-170.9	-112.1	0	0	0	110.2	F47 K51 R53 P55 I94	F47-W49 HydrophobicContact CD1-CB 4.3Å; F47-W49 VanDerWaalsContact CD1-O 3.23Å; F47-W49 WeakPolarHBondContact CD1-O 3.09Å; F47-W49 HydrophobicContact CE1-CB 4.08Å; F47-W49 PolarHBondContact O-N 3.04Å; F47-W49 VanDerWaalsContact O-N 3.11Å; W49-K51 HydrophobicContact CZ2-CB 4.08Å; W49-K51 HydrophobicContact CZ2-CD 4.11Å; W49-K51 HydrophobicContact CZ2-CG 4.37Å; W49-K51 PolarHBondContact NE1-O 2.98Å; W49-K51 VanDerWaalsContact NE1-O 3.11Å; W49-R53 WeakPolarHBondContact CZ2-O 3.3Å; W49-R53 PolarHBondContact NE1-O 2.81Å; W49-P55 HydrophobicContact CD2-CG 3.84Å; W49-P55 HydrophobicContact CE3-CG 3.91Å; W49-P55 HydrophobicContact CH2-CB 3.86Å; W49-P55 HydrophobicContact CH2-CG 3.89Å; W49-P55 HydrophobicContact CZ2-CB 4.09Å; W49-P55 HydrophobicContact CZ2-CG 3.81Å; W49-P55 HydrophobicContact CZ3-CB 4.13Å; W49-P55 HydrophobicContact CZ3-CG 3.94Å; W49-I94 HydrophobicContact CB-CD1 3.83Å; W49-I94 HydrophobicContact CB-CG1 3.88Å; W49-I94 HydrophobicContact CB-CG2 4.35Å; W49-I94 HydrophobicContact CG-CG1 4.16Å; W49-I94 HydrophobicContact CG-CG2 4.3Å
50	N	95.7	Very high	84.3	Confident	63 Å²	63	65.4 Å²	65.4	34%	0.337	34%	0.341	S	S	.	.			trans	-124.5	9.6	-173.3	72.4	-20.4	0	0	0	114.1	E36 P39 Q128	E36-N50 PolarHBondContact OE2-ND2 3Å; P39-N50 HydrophobicContact CG-CB 4.49Å; N50-Q128 VanDerWaalsContact C-NE2 3.27Å; N50-Q128 PolarHBondContact O-NE2 2.78Å
51	K	96.6	Very high	87	Confident	120 Å²	120	61.2 Å²	61.2	52%	0.522	33%	0.328	S	S	.	.			trans	-111.4	149.2	178.4	-60	-175.5	177.6	-174.8	0	112	W49 Q128 Q130	W49-K51 HydrophobicContact CZ2-CB 4.08Å; W49-K51 HydrophobicContact CZ2-CD 4.11Å; W49-K51 HydrophobicContact CZ2-CG 4.37Å; W49-K51 PolarHBondContact NE1-O 2.98Å; W49-K51 VanDerWaalsContact NE1-O 3.11Å; K51-Q128 VanDerWaalsContact C-NE2 3.35Å; K51-Q128 PolarHBondContact O-NE2 2.72Å; K51-Q130 PolarHBondContact O-NE2 2.72Å
52	I	95.9	Very high	89.3	Confident	49 Å²	49	56.6 Å²	56.6	25%	0.251	31%	0.312	S	S	.	.	S	Bend	trans	-67	-41.8	172.5	-64.7	178.2	0	0	0	110.1	Q130 E424 N425	I52-Q130 PolarHBondContact O-NE2 3.37Å; I52-E424 HydrophobicContact CB-CG 3.99Å; I52-E424 HydrophobicContact CD1-CG 3.99Å; I52-E424 HydrophobicContact CG1-CG 4.48Å; I52-E424 HydrophobicContact CG2-CG 4.24Å; I52-N425 HydrophobicContact CD1-CB 4.16Å
53	R	98	Very high	91.7	Very high	68 Å²	68	50.5 Å²	50.5	26%	0.257	27%	0.269	S	S	.	.	S	Bend	trans	-66.8	137.6	172.9	-62.2	-61	-56.3	-78.5	-4.8	111	W49 E196	W49-R53 WeakPolarHBondContact CZ2-O 3.3Å; W49-R53 PolarHBondContact NE1-O 2.81Å; R53-E196 WeakPolarHBondContact CA-OE1 3.36Å; R53-E196 IonicContact CZ-OE2 3.47Å; R53-E196 VanDerWaalsContact CZ-OE2 3.28Å; R53-E196 IonicContact NE-OE1 2.8Å; R53-E196 PolarHBondContact NE-OE1 3.16Å; R53-E196 IonicContact NE-OE2 3.6Å; R53-E196 PolarHBondContact NE-OE2 2.87Å; R53-E196 IonicContact NH2-OE2 2.64Å; R53-E196 PolarHBondContact NH2-OE2 3.29Å
54	L	98.4	Very high	94.1	Very high	6 Å²	6	48 Å²	48	3%	0.031	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-67.5	158.9	177.6	-66.4	-179.6	0	0	0	111.9	E56 I94 H96 Q130 F194 E196 F199	L54-E56 PolarHBondContact O-N 2.88Å; L54-I94 HydrophobicContact CD2-CB 4.49Å; L54-I94 HydrophobicContact CD2-CG2 3.85Å; L54-H96 VanDerWaalsContact CG-CE1 3.42Å; L54-H96 WeakPolarHBondContact CG-CE1 3.36Å; L54-Q130 HydrophobicContact CD2-CG 4.16Å; L54-F194 HydrophobicContact CD1-CB 4.01Å; L54-F194 HydrophobicContact CD1-CD1 3.91Å; L54-F194 HydrophobicContact CD1-CG 4.36Å; L54-E196 HydrophobicContact CD1-CG 4.36Å; L54-E196 HydrophobicContact CG-CG 4.48Å; L54-E196 PolarHBondContact N-OE1 3.25Å; L54-F199 HydrophobicContact CB-CE2 4.07Å; L54-F199 HydrophobicContact CB-CZ 4.38Å; L54-F199 HydrophobicContact CD1-CD2 4.45Å; L54-F199 HydrophobicContact CD1-CE2 4.15Å
55	P	98.1	Very high	95.9	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.032	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-65.8	130.6	167.6	-9.4	22.3	0	0	0	111.4	W49 Y57 I94	W49-P55 HydrophobicContact CD2-CG 3.84Å; W49-P55 HydrophobicContact CE3-CG 3.91Å; W49-P55 HydrophobicContact CH2-CB 3.86Å; W49-P55 HydrophobicContact CH2-CG 3.89Å; W49-P55 HydrophobicContact CZ2-CB 4.09Å; W49-P55 HydrophobicContact CZ2-CG 3.81Å; W49-P55 HydrophobicContact CZ3-CB 4.13Å; W49-P55 HydrophobicContact CZ3-CG 3.94Å; P55-Y57 VanDerWaalsContact C-N 3.27Å; P55-Y57 HydrophobicContact CB-CD1 3.89Å; P55-Y57 HydrophobicContact CB-CE1 3.37Å; P55-Y57 HydrophobicContact CB-CE2 4.11Å; P55-Y57 HydrophobicContact CB-CG 4.45Å; P55-Y57 VanDerWaalsContact CB-CZ 3.48Å; P55-Y57 HydrophobicContact CG-CE1 4.43Å; P55-Y57 PolarHBondContact O-N 2.87Å; P55-I94 HydrophobicContact CG-CB 3.88Å; P55-I94 HydrophobicContact CG-CG1 3.79Å
56	E	97.5	Very high	97.1	Very high	146 Å²	146	44.1 Å²	44.1	68%	0.682	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-7.9	-177.6	-63.4	176.7	-174.7	0	0	113.9	L54	L54-E56 PolarHBondContact O-N 2.88Å
57	Y	97.3	Very high	97.6	Very high	51 Å²	51	40.8 Å²	40.8	20%	0.2	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-2.7	-174.2	58.2	-103.4	0	0	0	114.7	P55 A86 S87 Q88 T90	P55-Y57 VanDerWaalsContact C-N 3.27Å; P55-Y57 HydrophobicContact CB-CD1 3.89Å; P55-Y57 HydrophobicContact CB-CE1 3.37Å; P55-Y57 HydrophobicContact CB-CE2 4.11Å; P55-Y57 HydrophobicContact CB-CG 4.45Å; P55-Y57 VanDerWaalsContact CB-CZ 3.48Å; P55-Y57 HydrophobicContact CG-CE1 4.43Å; P55-Y57 PolarHBondContact O-N 2.87Å; Y57-A86 CarbonylContact O-C 3.55Å; Y57-A86 WeakPolarHBondContact O-CA 3.44Å; Y57-S87 WeakPolarHBondContact CA-OG 3.38Å; Y57-S87 WeakPolarHBondContact CB-OG 3.27Å; Y57-S87 PolarHBondContact O-N 3.17Å; Y57-S87 PolarHBondContact O-OG 2.85Å; Y57-Q88 HydrophobicContact CD2-CB 4.43Å; Y57-Q88 HydrophobicContact CG-CB 4.25Å; Y57-Q88 HydrophobicContact CG-CG 4.46Å; Y57-T90 HydrophobicContact CD2-CG2 4.26Å; Y57-T90 HydrophobicContact CE2-CG2 3.92Å
58	V	98.1	Very high	97.8	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	114	168.5	-175.5	0	0	0	0	108.1	I84 T90 I93 F194	V58-I84 HydrophobicContact CG1-CB 4.1Å; V58-I84 HydrophobicContact CG1-CD1 3.76Å; V58-I84 HydrophobicContact CG1-CG1 4.45Å; V58-I84 HydrophobicContact CG1-CG2 4.41Å; V58-T90 HydrophobicContact CG2-CG2 3.97Å; V58-I93 HydrophobicContact CG1-CG2 4.29Å; V58-F194 HydrophobicContact CB-CE1 4.14Å; V58-F194 HydrophobicContact CB-CZ 4.35Å; V58-F194 HydrophobicContact CG1-CE1 4.02Å; V58-F194 HydrophobicContact CG1-CZ 3.71Å; V58-F194 WeakPolarHBondContact O-CE1 3.28Å
59	I	98.3	Very high	97.9	Very high	73 Å²	73	39.9 Å²	39.9	37%	0.374	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.9	-169.4	-55.4	175.9	0	0	0	109.1	I84 T85	I59-I84 VanDerWaalsContact O-CA 3.31Å; I59-I84 WeakPolarHBondContact O-CA 3.41Å; I59-T85 PolarHBondContact N-O 2.54Å; I59-T85 PolarHBondContact O-N 3.42Å
60	P	98.5	Very high	98	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.019	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	147.8	172.1	34.1	-36.2	0	0	0	111.5	Y63 V82 E83 F194 F199 A201	P60-Y63 HydrophobicContact CB-CE2 3.75Å; P60-Y63 HydrophobicContact CG-CE2 4.3Å; P60-V82 HydrophobicContact CB-CG2 3.84Å; P60-E83 CarbonylContact C-O 3.58Å; P60-E83 WeakPolarHBondContact CA-O 3.28Å; P60-F194 HydrophobicContact CB-CD2 3.8Å; P60-F194 HydrophobicContact CB-CE2 4.21Å; P60-F194 HydrophobicContact CB-CG 4.44Å; P60-F194 HydrophobicContact CG-CB 3.97Å; P60-F194 HydrophobicContact CG-CD2 3.83Å; P60-F194 HydrophobicContact CG-CG 3.97Å; P60-F199 HydrophobicContact CG-CB 3.88Å; P60-F199 HydrophobicContact CG-CD1 4.37Å; P60-F199 HydrophobicContact CG-CG 4.47Å; P60-A201 HydrophobicContact CB-CB 4.45Å
61	V	98.3	Very high	98.1	Very high	72 Å²	72	36.9 Å²	36.9	44%	0.436	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	-46.5	-179.3	-179.3	0	0	0	0	110.9	E83 T85 A201 S202	V61-E83 HydrophobicContact CB-CB 4.45Å; V61-E83 PolarHBondContact N-O 2.77Å; V61-T85 HydrophobicContact CG2-CG2 4.36Å; V61-A201 WeakPolarHBondContact O-CB 3.18Å; V61-S202 PolarHBondContact O-N 2.69Å; V61-S202 VanDerWaalsContact O-N 3.15Å; V61-S202 PolarHBondContact O-OG 3.35Å
62	H	98.8	Very high	98.1	Very high	22 Å²	22	36.1 Å²	36.1	10%	0.102	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	142.6	-177.4	-175.8	64.5	0	0	0	111.1	D64 V82 E83 S202 S204	H62-D64 IonicContact CD2-OD2 3.49Å; H62-D64 IonicContact NE2-OD1 3.21Å; H62-V82 CarbonylContact O-C 3.59Å; H62-V82 WeakPolarHBondContact O-CA 3.2Å; H62-E83 HydrophobicContact CB-CB 4.12Å; H62-E83 HydrophobicContact CB-CG 4.18Å; H62-E83 PolarHBondContact O-N 3.42Å; H62-S202 CarbonylContact C-O 3.53Å; H62-S202 WeakPolarHBondContact CA-O 3.5Å; H62-S202 PolarHBondContact ND1-O 2.58Å; H62-S202 PolarHBondContact ND1-OG 2.84Å; H62-S204 PolarHBondContact CE1-OG 2.99Å; H62-S204 PolarHBondContact NE2-OG 2.87Å; H62-S204 VanDerWaalsContact NE2-OG 3.12Å
63	Y	98.9	Very high	98.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125.1	171.5	-69.4	-98	0	0	0	110.3	P60 L65 T80 K81 V82 C193 F194 A201 S202 F203 S204	P60-Y63 HydrophobicContact CB-CE2 3.75Å; P60-Y63 HydrophobicContact CG-CE2 4.3Å; Y63-L65 HydrophobicContact CD1-CD2 4.29Å; Y63-T80 HydrophobicContact CD1-CG2 3.99Å; Y63-K81 CarbonylContact C-O 3.45Å; Y63-K81 WeakPolarHBondContact CA-O 3.41Å; Y63-V82 HydrophobicContact CD1-CB 3.67Å; Y63-V82 HydrophobicContact CD1-CG2 3.66Å; Y63-V82 HydrophobicContact CD2-CG2 4.25Å; Y63-V82 HydrophobicContact CE1-CB 3.69Å; Y63-V82 HydrophobicContact CE1-CG1 4.49Å; Y63-V82 HydrophobicContact CE1-CG2 3.39Å; Y63-V82 HydrophobicContact CE2-CG2 4.02Å; Y63-V82 HydrophobicContact CG-CB 4.37Å; Y63-V82 HydrophobicContact CG-CG2 4.09Å; Y63-C193 HydrophobicContact CE1-CB 3.82Å; Y63-F194 WeakPolarHBondContact OH-CD2 3.18Å; Y63-F194 PolarHBondContact OH-N 2.83Å; Y63-F194 VanDerWaalsContact OH-N 3.08Å; Y63-A201 HydrophobicContact CD2-CB 3.57Å; Y63-A201 HydrophobicContact CE2-CB 3.52Å; Y63-S202 PolarHBondContact N-O 3.05Å; Y63-F203 HydrophobicContact CD1-CE1 4.41Å; Y63-F203 AromaticContact CD2-CD1 3.87Å; Y63-F203 HydrophobicContact CD2-CD1 3.87Å; Y63-F203 AromaticContact CD2-CE1 3.35Å; Y63-F203 HydrophobicContact CD2-CE1 3.35Å; Y63-F203 AromaticContact CD2-CZ 3.76Å; Y63-F203 HydrophobicContact CD2-CZ 3.76Å; Y63-F203 AromaticContact CE2-CE1 3.87Å; Y63-F203 HydrophobicContact CE2-CE1 3.87Å; Y63-F203 AromaticContact CE2-CZ 3.99Å; Y63-F203 HydrophobicContact CE2-CZ 3.99Å; Y63-F203 AromaticContact CG-CD1 3.89Å; Y63-F203 HydrophobicContact CG-CD1 3.89Å; Y63-F203 AromaticContact CG-CE1 3.66Å; Y63-F203 HydrophobicContact CG-CE1 3.66Å; Y63-F203 HydrophobicContact CG-CZ 4.5Å; Y63-F203 CarbonylContact O-C 3.58Å; Y63-F203 WeakPolarHBondContact O-CA 3.47Å; Y63-S204 PolarHBondContact O-N 3.11Å
64	D	98.8	Very high	98.1	Very high	30 Å²	30	36.3 Å²	36.3	16%	0.16	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	115.1	158.2	-67	-93.1	0	0	0	109.3	H62 T80 K81 S204	H62-D64 IonicContact CD2-OD2 3.49Å; H62-D64 IonicContact NE2-OD1 3.21Å; D64-T80 WeakPolarHBondContact O-CA 3.27Å; D64-K81 HydrophobicContact CB-CB 4.06Å; D64-K81 HydrophobicContact CB-CG 4.49Å; D64-K81 PolarHBondContact N-O 2.63Å; D64-K81 PolarHBondContact O-N 2.91Å; D64-K81 IonicContact OD1-NZ 3.28Å; D64-K81 PolarHBondContact OD1-NZ 2.65Å; D64-K81 WeakPolarHBondContact OD2-CE 3.41Å; D64-K81 IonicContact OD2-NZ 2.79Å; D64-K81 PolarHBondContact OD2-NZ 3.31Å; D64-S204 WeakPolarHBondContact CA-O 3.29Å
65	L	98.9	Very high	98.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	117.3	178.9	-55.2	-176	0	0	0	109.3	Y63 T80 F191 F203 S204 I205 K206 V247	Y63-L65 HydrophobicContact CD1-CD2 4.29Å; L65-T80 HydrophobicContact CD2-CG2 3.87Å; L65-F191 HydrophobicContact CD1-CD1 4.05Å; L65-F191 HydrophobicContact CD1-CD2 4.12Å; L65-F191 HydrophobicContact CD1-CE1 3.96Å; L65-F191 HydrophobicContact CD1-CE2 4.02Å; L65-F191 HydrophobicContact CD1-CG 4.15Å; L65-F191 HydrophobicContact CD1-CZ 3.95Å; L65-F191 HydrophobicContact CD2-CB 4.34Å; L65-F191 HydrophobicContact CD2-CD2 3.84Å; L65-F191 HydrophobicContact CD2-CE2 4.34Å; L65-F191 HydrophobicContact CD2-CG 4.09Å; L65-F203 HydrophobicContact CD1-CD1 3.98Å; L65-S204 PolarHBondContact N-O 2.75Å; L65-I205 HydrophobicContact CB-CG1 4.45Å; L65-I205 HydrophobicContact CD1-CG1 4.39Å; L65-I205 CarbonylContact O-C 3.52Å; L65-K206 PolarHBondContact O-N 3.31Å; L65-V247 HydrophobicContact CD1-CG1 4.22Å
66	L	98.8	Very high	98.2	Very high	31 Å²	31	37.5 Å²	37.5	16%	0.162	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	119.8	166	173.6	64.7	0	0	0	108.5	G78 T79 K206 R208 E233	L66-G78 CarbonylContact O-C 3.56Å; L66-G78 WeakPolarHBondContact O-CA 3.44Å; L66-T79 PolarHBondContact N-O 3.03Å; L66-T79 PolarHBondContact O-N 2.95Å; L66-K206 WeakPolarHBondContact CA-O 3.47Å; L66-K206 HydrophobicContact CD1-CB 3.83Å; L66-R208 HydrophobicContact CD1-CG 4.13Å; L66-E233 HydrophobicContact CD1-CG 4.35Å
67	I	98.8	Very high	98.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.9	176.4	-54.1	-64.3	0	0	0	109.3	Y151 F162 K206 I207 R208 F249	I67-Y151 VanDerWaalsContact CD1-OH 3.23Å; I67-Y151 WeakPolarHBondContact CD1-OH 3.26Å; I67-F162 HydrophobicContact CG2-CE1 3.87Å; I67-F162 HydrophobicContact CG2-CZ 4.46Å; I67-K206 PolarHBondContact N-O 3.23Å; I67-I207 HydrophobicContact CB-CD1 3.78Å; I67-I207 HydrophobicContact CG1-CD1 4.23Å; I67-I207 CarbonylContact O-C 3.59Å; I67-I207 WeakPolarHBondContact O-CA 3.35Å; I67-R208 PolarHBondContact O-N 3.33Å; I67-F249 HydrophobicContact CD1-CZ 4.42Å; I67-F249 HydrophobicContact CG1-CE1 4.32Å; I67-F249 HydrophobicContact CG1-CE2 4.28Å; I67-F249 HydrophobicContact CG1-CZ 3.94Å; I67-F249 HydrophobicContact CG2-CE2 4.17Å
68	H	98.5	Very high	98.3	Very high	42 Å²	42	34.2 Å²	34.2	19%	0.194	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	102.8	173.5	177.7	-161.8	0	0	0	108.7	F76 W77 R208	H68-F76 CarbonylContact O-C 3.54Å; H68-F76 WeakPolarHBondContact O-CA 3.2Å; H68-W77 AromaticContact CE1-CE3 3.98Å; H68-W77 AromaticContact CE1-CZ3 3.86Å; H68-W77 PolarHBondContact N-O 3.37Å; H68-W77 AromaticContact ND1-CE3 3.57Å; H68-W77 AromaticContact ND1-CZ3 3.93Å; H68-W77 PolarHBondContact O-N 3.41Å; H68-R208 HydrophobicContact CB-CB 3.85Å
69	A	97.6	Very high	98.3	Very high	7 Å²	7	35.7 Å²	35.7	6%	0.058	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	139.9	178.4	0	0	0	0	0	111	L71 F76 F162 I251	A69-L71 HydrophobicContact CB-CD1 4.13Å; A69-F76 HydrophobicContact CB-CB 4.11Å; A69-F162 HydrophobicContact CB-CE1 3.71Å; A69-F162 HydrophobicContact CB-CZ 3.74Å; A69-I251 HydrophobicContact CB-CD1 3.6Å
70	N	97.8	Very high	98.3	Very high	40 Å²	40	32.2 Å²	32.2	21%	0.214	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	107.3	171	-173.2	-43.7	0	0	0	108.9	T72 T73 L74 T75	N70-T72 PolarHBondContact O-N 3.18Å; N70-T72 WeakPolarHBondContact OD1-CA 3.43Å; N70-T72 VanDerWaalsContact OD1-CB 3.27Å; N70-T72 WeakPolarHBondContact OD1-CB 3.45Å; N70-T72 PolarHBondContact OD1-N 2.59Å; N70-T73 WeakPolarHBondContact CB-OG1 3.43Å; N70-T73 VanDerWaalsContact CG-OG1 3.3Å; N70-T73 PolarHBondContact OD1-N 2.96Å; N70-T73 PolarHBondContact OD1-OG1 2.96Å; N70-L74 WeakPolarHBondContact O-CA 3.26Å; N70-L74 PolarHBondContact O-N 3.5Å; N70-T75 PolarHBondContact N-O 3.07Å; N70-T75 PolarHBondContact O-N 3.28Å
71	L	97.6	Very high	98.4	Very high	7 Å²	7	34.7 Å²	34.7	4%	0.037	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-7.5	-177.2	-80.9	65.5	0	0	0	113	A69 L74 I176 A178 I251	A69-L71 HydrophobicContact CB-CD1 4.13Å; L71-L74 WeakPolarHBondContact O-CD2 3.36Å; L71-I176 HydrophobicContact CB-CG2 4.47Å; L71-I176 WeakPolarHBondContact CD2-O 3.36Å; L71-I176 HydrophobicContact CG-CG2 4.5Å; L71-A178 HydrophobicContact CD1-CB 4.3Å; L71-A178 HydrophobicContact CG-CB 4.48Å; L71-I251 HydrophobicContact CD1-CB 4.3Å; L71-I251 HydrophobicContact CD1-CG2 3.92Å; L71-I251 HydrophobicContact CD2-CG2 4.19Å
72	T	96.5	Very high	98.4	Very high	103 Å²	103	31.3 Å²	31.3	63%	0.632	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-47.3	174.6	-51.7	0	0	0	0	111	N70	N70-T72 PolarHBondContact O-N 3.18Å; N70-T72 WeakPolarHBondContact OD1-CA 3.43Å; N70-T72 VanDerWaalsContact OD1-CB 3.27Å; N70-T72 WeakPolarHBondContact OD1-CB 3.45Å; N70-T72 PolarHBondContact OD1-N 2.59Å
73	T	97.7	Very high	98.4	Very high	82 Å²	82	34 Å²	34	50%	0.503	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-11.1	178.5	57.1	0	0	0	0	113.3	N70 T75	N70-T73 WeakPolarHBondContact CB-OG1 3.43Å; N70-T73 VanDerWaalsContact CG-OG1 3.3Å; N70-T73 PolarHBondContact OD1-N 2.96Å; N70-T73 PolarHBondContact OD1-OG1 2.96Å; T73-T75 PolarHBondContact O-N 2.81Å; T73-T75 PolarHBondContact OG1-OG1 3.49Å
74	L	98	Very high	98.3	Very high	39 Å²	39	34 Å²	34	20%	0.204	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	34.8	-176.3	-52.1	178.1	0	0	0	113	N70 L71 L155 K164 I176	N70-L74 WeakPolarHBondContact O-CA 3.26Å; N70-L74 PolarHBondContact O-N 3.5Å; L71-L74 WeakPolarHBondContact O-CD2 3.36Å; L74-L155 HydrophobicContact CD2-CD1 4.17Å; L74-L155 PolarHBondContact O-N 2.88Å; L74-K164 HydrophobicContact CD1-CD 3.73Å; L74-K164 HydrophobicContact CD2-CD 3.61Å; L74-K164 HydrophobicContact CD2-CG 4.14Å; L74-K164 HydrophobicContact CG-CD 4.31Å; L74-I176 HydrophobicContact CD2-CD1 4.45Å; L74-I176 HydrophobicContact CD2-CG2 4.27Å
75	T	98.4	Very high	98.2	Very high	35 Å²	35	34.6 Å²	34.6	22%	0.215	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	156.9	178.1	59.6	0	0	0	0	110.5	N70 T73 N154	N70-T75 PolarHBondContact N-O 3.07Å; N70-T75 PolarHBondContact O-N 3.28Å; T73-T75 PolarHBondContact O-N 2.81Å; T73-T75 PolarHBondContact OG1-OG1 3.49Å; T75-N154 WeakPolarHBondContact CG2-OD1 3.37Å
76	F	98.7	Very high	98.1	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.009	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	151.7	171.7	69.9	-85.1	0	0	0	112.2	H68 A69 L100 Y151 A152 G153 N154 L155 F162	H68-F76 CarbonylContact O-C 3.54Å; H68-F76 WeakPolarHBondContact O-CA 3.2Å; A69-F76 HydrophobicContact CB-CB 4.11Å; F76-L100 HydrophobicContact CE2-CD2 4.06Å; F76-L100 HydrophobicContact CZ-CD2 3.69Å; F76-Y151 AromaticContact CE2-CE2 4Å; F76-Y151 HydrophobicContact CE2-CE2 4Å; F76-A152 WeakPolarHBondContact O-CA 3.5Å; F76-G153 VanDerWaalsContact CD1-O 3.31Å; F76-G153 WeakPolarHBondContact CD1-O 3.45Å; F76-G153 PolarHBondContact N-O 2.83Å; F76-G153 PolarHBondContact O-N 2.79Å; F76-N154 WeakPolarHBondContact CE1-O 3.49Å; F76-L155 HydrophobicContact CD1-CD2 4.07Å; F76-F162 HydrophobicContact CB-CD1 4.31Å; F76-F162 HydrophobicContact CB-CE1 4.01Å; F76-F162 AromaticContact CD1-CD1 3.8Å; F76-F162 HydrophobicContact CD1-CD1 3.8Å; F76-F162 HydrophobicContact CD1-CE1 4.3Å; F76-F162 HydrophobicContact CD2-CD1 4.13Å; F76-F162 HydrophobicContact CD2-CE1 4.5Å; F76-F162 HydrophobicContact CE1-CD1 4.06Å; F76-F162 HydrophobicContact CE2-CD1 4.36Å; F76-F162 AromaticContact CG-CD1 3.83Å; F76-F162 HydrophobicContact CG-CD1 3.83Å; F76-F162 HydrophobicContact CG-CE1 4.05Å; F76-F162 HydrophobicContact CZ-CD1 4.34Å
77	W	98.7	Very high	98	Very high	124 Å²	124	36.2 Å²	36.2	47%	0.47	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	146.3	170.1	-60.3	-76.2	0	0	0	109.6	H68	H68-W77 AromaticContact CE1-CE3 3.98Å; H68-W77 AromaticContact CE1-CZ3 3.86Å; H68-W77 PolarHBondContact N-O 3.37Å; H68-W77 AromaticContact ND1-CE3 3.57Å; H68-W77 AromaticContact ND1-CZ3 3.93Å; H68-W77 PolarHBondContact O-N 3.41Å
78	G	98.6	Very high	97.8	Very high	4 Å²	4	41.5 Å²	41.5	4%	0.041	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	152.9	177.4	0	0	0	0	0	113.3	L66 Y151	L66-G78 CarbonylContact O-C 3.56Å; L66-G78 WeakPolarHBondContact O-CA 3.44Å; G78-Y151 VanDerWaalsContact C-CE1 3.47Å; G78-Y151 VanDerWaalsContact CA-CZ 3.46Å; G78-Y151 PolarHBondContact N-O 2.96Å; G78-Y151 PolarHBondContact O-N 3.12Å
79	T	98.8	Very high	97.7	Very high	33 Å²	33	44.1 Å²	44.1	20%	0.202	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	115.5	165.1	-60.5	0	0	0	0	108.2	L66 V148 I149 H150	L66-T79 PolarHBondContact N-O 3.03Å; L66-T79 PolarHBondContact O-N 2.95Å; T79-V148 HydrophobicContact CG2-CG1 4.19Å; T79-I149 WeakPolarHBondContact CA-O 3.36Å; T79-H150 PolarHBondContact OG1-ND1 3.26Å
80	T	98.8	Very high	97.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.2	175.8	-66.1	0	0	0	0	108.4	Y63 D64 L65 V82 V148 I149 Y151	Y63-T80 HydrophobicContact CD1-CG2 3.99Å; D64-T80 WeakPolarHBondContact O-CA 3.27Å; L65-T80 HydrophobicContact CD2-CG2 3.87Å; T80-V82 HydrophobicContact CG2-CB 4.45Å; T80-V148 CarbonylContact O-C 3.42Å; T80-V148 WeakPolarHBondContact O-CA 3.23Å; T80-I149 PolarHBondContact N-O 3.2Å; T80-I149 PolarHBondContact O-N 3.13Å; T80-Y151 WeakPolarHBondContact OG1-CE1 3.28Å
81	K	98.8	Very high	97.6	Very high	56 Å²	56	45.1 Å²	45.1	24%	0.243	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	118.9	162.1	-50.9	177.9	-82.5	126.7	0	107.3	Y63 D64 T146 V147 V148	Y63-K81 CarbonylContact C-O 3.45Å; Y63-K81 WeakPolarHBondContact CA-O 3.41Å; D64-K81 HydrophobicContact CB-CB 4.06Å; D64-K81 HydrophobicContact CB-CG 4.49Å; D64-K81 PolarHBondContact N-O 2.63Å; D64-K81 PolarHBondContact O-N 2.91Å; D64-K81 IonicContact OD1-NZ 3.28Å; D64-K81 PolarHBondContact OD1-NZ 2.65Å; D64-K81 WeakPolarHBondContact OD2-CE 3.41Å; D64-K81 IonicContact OD2-NZ 2.79Å; D64-K81 PolarHBondContact OD2-NZ 3.31Å; K81-T146 HydrophobicContact CB-CG2 3.86Å; K81-V147 CarbonylContact C-O 3.58Å; K81-V147 VanDerWaalsContact CA-O 3.28Å; K81-V147 WeakPolarHBondContact CA-O 3.3Å; K81-V148 HydrophobicContact CB-CG2 4.35Å; K81-V148 HydrophobicContact CD-CG2 4.44Å; K81-V148 HydrophobicContact CG-CB 4.45Å; K81-V148 HydrophobicContact CG-CG1 4.07Å; K81-V148 HydrophobicContact CG-CG2 3.93Å
82	V	98.6	Very high	97.6	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121	176.7	59.5	0	0	0	0	109.9	P60 H62 Y63 T80 I84 T146 V147 F194	P60-V82 HydrophobicContact CB-CG2 3.84Å; H62-V82 CarbonylContact O-C 3.59Å; H62-V82 WeakPolarHBondContact O-CA 3.2Å; Y63-V82 HydrophobicContact CD1-CB 3.67Å; Y63-V82 HydrophobicContact CD1-CG2 3.66Å; Y63-V82 HydrophobicContact CD2-CG2 4.25Å; Y63-V82 HydrophobicContact CE1-CB 3.69Å; Y63-V82 HydrophobicContact CE1-CG1 4.49Å; Y63-V82 HydrophobicContact CE1-CG2 3.39Å; Y63-V82 HydrophobicContact CE2-CG2 4.02Å; Y63-V82 HydrophobicContact CG-CB 4.37Å; Y63-V82 HydrophobicContact CG-CG2 4.09Å; T80-V82 HydrophobicContact CG2-CB 4.45Å; V82-I84 HydrophobicContact CG1-CG2 4.2Å; V82-I84 HydrophobicContact CG2-CG2 3.86Å; V82-T146 CarbonylContact O-C 3.37Å; V82-T146 WeakPolarHBondContact O-CA 3.47Å; V82-V147 HydrophobicContact CG1-CB 3.7Å; V82-V147 HydrophobicContact CG1-CG1 4.47Å; V82-V147 HydrophobicContact CG1-CG2 4.3Å; V82-V147 PolarHBondContact N-O 3.35Å; V82-V147 PolarHBondContact O-N 3.47Å; V82-F194 HydrophobicContact CG2-CE2 4.48Å
83	E	98.4	Very high	97.7	Very high	77 Å²	77	40.9 Å²	40.9	36%	0.36	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	126	169.8	-62.8	-176.7	-175.2	0	0	109	P60 V61 H62 Y145	P60-E83 CarbonylContact C-O 3.58Å; P60-E83 WeakPolarHBondContact CA-O 3.28Å; V61-E83 HydrophobicContact CB-CB 4.45Å; V61-E83 PolarHBondContact N-O 2.77Å; H62-E83 HydrophobicContact CB-CB 4.12Å; H62-E83 HydrophobicContact CB-CG 4.18Å; H62-E83 PolarHBondContact O-N 3.42Å; E83-Y145 CarbonylContact C-O 3.55Å; E83-Y145 VanDerWaalsContact CA-O 3.31Å; E83-Y145 WeakPolarHBondContact CA-O 3.24Å
84	I	98.1	Very high	97.8	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	156.2	-176.8	63.6	168.8	0	0	0	111	V58 I59 V82 I93 L139 P144 Y145 V147 F194	V58-I84 HydrophobicContact CG1-CB 4.1Å; V58-I84 HydrophobicContact CG1-CD1 3.76Å; V58-I84 HydrophobicContact CG1-CG1 4.45Å; V58-I84 HydrophobicContact CG1-CG2 4.41Å; I59-I84 VanDerWaalsContact O-CA 3.31Å; I59-I84 WeakPolarHBondContact O-CA 3.41Å; V82-I84 HydrophobicContact CG1-CG2 4.2Å; V82-I84 HydrophobicContact CG2-CG2 3.86Å; I84-I93 HydrophobicContact CD1-CD1 3.59Å; I84-I93 HydrophobicContact CD1-CG1 4.1Å; I84-L139 HydrophobicContact CD1-CD2 3.99Å; I84-P144 WeakPolarHBondContact O-CA 3.18Å; I84-Y145 PolarHBondContact N-O 2.78Å; I84-Y145 PolarHBondContact O-N 2.72Å; I84-V147 HydrophobicContact CD1-CG2 3.58Å; I84-V147 HydrophobicContact CG1-CG2 4.15Å; I84-F194 HydrophobicContact CG2-CE2 3.86Å; I84-F194 HydrophobicContact CG2-CZ 4.18Å
85	T	97.1	Very high	97.8	Very high	43 Å²	43	35.3 Å²	35.3	26%	0.264	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	143.1	165.8	57.7	0	0	0	0	109.7	I59 V61	I59-T85 PolarHBondContact N-O 2.54Å; I59-T85 PolarHBondContact O-N 3.42Å; V61-T85 HydrophobicContact CG2-CG2 4.36Å
86	A	96.6	Very high	97.8	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.008	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.9	173.9	0	0	0	0	0	109.9	Y57 T90 L139 V141 G142	Y57-A86 CarbonylContact O-C 3.55Å; Y57-A86 WeakPolarHBondContact O-CA 3.44Å; A86-T90 HydrophobicContact CB-CG2 4.47Å; A86-L139 HydrophobicContact CB-CB 4.21Å; A86-L139 HydrophobicContact CB-CD2 4.46Å; A86-V141 CarbonylContact O-C 3.54Å; A86-V141 WeakPolarHBondContact O-CA 3.5Å; A86-G142 PolarHBondContact O-N 3.09Å
87	S	95.9	Very high	97.8	Very high	64 Å²	64	34.2 Å²	34.2	45%	0.448	19%	0.185	S	C	.	.	S	Bend	trans	-89.2	-15.2	173.5	67.1	0	0	0	0	112.8	Y57 V141	Y57-S87 WeakPolarHBondContact CA-OG 3.38Å; Y57-S87 WeakPolarHBondContact CB-OG 3.27Å; Y57-S87 PolarHBondContact O-N 3.17Å; Y57-S87 PolarHBondContact O-OG 2.85Å; S87-V141 WeakPolarHBondContact O-CG1 3.41Å
88	Q	95.2	Very high	97.8	Very high	111 Å²	111	30.1 Å²	30.1	52%	0.519	17%	0.171	S	C	.	.	S	Bend	trans	-132.9	147.6	174.9	-61.1	-179.8	15.5	0	0	109.7	Y57 T90	Y57-Q88 HydrophobicContact CD2-CB 4.43Å; Y57-Q88 HydrophobicContact CG-CB 4.25Å; Y57-Q88 HydrophobicContact CG-CG 4.46Å; Q88-T90 PolarHBondContact O-N 3.49Å
89	P	96.2	Very high	97.7	Very high	97 Å²	97	37 Å²	37	63%	0.63	20%	0.202	S	C	*	.			trans	-65.3	122.4	177.5	27.5	-32.5	0	0	0	109.9	L139 V141	P89-L139 WeakPolarHBondContact CA-O 3.31Å; P89-V141 HydrophobicContact CB-CG2 4.41Å
90	T	97	Very high	97.7	Very high	16 Å²	16	36.1 Å²	36.1	10%	0.098	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	142.3	-178.9	-179	0	0	0	0	110.4	Y57 V58 A86 Q88 T92 L139	Y57-T90 HydrophobicContact CD2-CG2 4.26Å; Y57-T90 HydrophobicContact CE2-CG2 3.92Å; V58-T90 HydrophobicContact CG2-CG2 3.97Å; A86-T90 HydrophobicContact CB-CG2 4.47Å; Q88-T90 PolarHBondContact O-N 3.49Å; T90-T92 PolarHBondContact OG1-N 2.93Å; T90-T92 PolarHBondContact OG1-O 3.26Å; T90-L139 WeakPolarHBondContact O-CB 3.39Å; T90-L139 WeakPolarHBondContact O-CD1 3.25Å; T90-L139 PolarHBondContact O-N 2.81Å
91	S	96.4	Very high	97.7	Very high	51 Å²	51	43.1 Å²	43.1	36%	0.357	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	3.6	168.7	59.2	0	0	0	0	112.4	A135	S91-A135 PolarHBondContact O-N 2.99Å
92	T	97.8	Very high	97.7	Very high	22 Å²	22	41.6 Å²	41.6	14%	0.135	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130.3	-172.3	-58.2	0	0	0	0	110.2	P48 T90 I94 A132 L133 L134	P48-T92 HydrophobicContact CB-CG2 4.14Å; P48-T92 HydrophobicContact CG-CG2 3.65Å; T90-T92 PolarHBondContact OG1-N 2.93Å; T90-T92 PolarHBondContact OG1-O 3.26Å; T92-I94 HydrophobicContact CG2-CD1 3.48Å; T92-I94 VanDerWaalsContact CG2-CD1 3.48Å; T92-I94 HydrophobicContact CG2-CG1 4.2Å; T92-A132 HydrophobicContact CG2-CB 4.18Å; T92-L133 WeakPolarHBondContact CA-O 3.44Å; T92-L134 HydrophobicContact CG2-CD2 3.92Å
93	I	98.5	Very high	97.6	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.4	173.4	-57.5	160.3	0	0	0	107.6	V58 I84 L95 L107 A132 L133 L139 V147 F194	V58-I93 HydrophobicContact CG1-CG2 4.29Å; I84-I93 HydrophobicContact CD1-CD1 3.59Å; I84-I93 HydrophobicContact CD1-CG1 4.1Å; I93-L95 HydrophobicContact CG2-CD2 4.37Å; I93-L107 HydrophobicContact CD1-CD1 4.13Å; I93-A132 CarbonylContact O-C 3.51Å; I93-A132 WeakPolarHBondContact O-CA 3.28Å; I93-L133 HydrophobicContact CB-CB 4.25Å; I93-L133 PolarHBondContact N-O 3.15Å; I93-L133 PolarHBondContact O-N 2.73Å; I93-L139 HydrophobicContact CD1-CD2 4.12Å; I93-L139 HydrophobicContact CG1-CD2 4.29Å; I93-V147 HydrophobicContact CD1-CG2 3.69Å; I93-F194 HydrophobicContact CG2-CZ 3.9Å
94	I	98.7	Very high	97.6	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130.5	176.7	-48.4	-63.5	0	0	0	108.3	F47 P48 W49 L54 P55 T92 Q130 I131 A132 F194	F47-I94 HydrophobicContact CZ-CD1 4.43Å; P48-I94 HydrophobicContact CG-CD1 4.01Å; W49-I94 HydrophobicContact CB-CD1 3.83Å; W49-I94 HydrophobicContact CB-CG1 3.88Å; W49-I94 HydrophobicContact CB-CG2 4.35Å; W49-I94 HydrophobicContact CG-CG1 4.16Å; W49-I94 HydrophobicContact CG-CG2 4.3Å; L54-I94 HydrophobicContact CD2-CB 4.49Å; L54-I94 HydrophobicContact CD2-CG2 3.85Å; P55-I94 HydrophobicContact CG-CB 3.88Å; P55-I94 HydrophobicContact CG-CG1 3.79Å; T92-I94 HydrophobicContact CG2-CD1 3.48Å; T92-I94 VanDerWaalsContact CG2-CD1 3.48Å; T92-I94 HydrophobicContact CG2-CG1 4.2Å; I94-Q130 HydrophobicContact CG2-CB 4.33Å; I94-Q130 HydrophobicContact CG2-CG 4.24Å; I94-I131 WeakPolarHBondContact CA-O 3.14Å; I94-A132 HydrophobicContact CD1-CB 3.47Å; I94-A132 VanDerWaalsContact CD1-CB 3.47Å; I94-F194 WeakPolarHBondContact O-CE1 3.23Å
95	L	98.7	Very high	97.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	168.3	175.3	62.4	84.3	0	0	0	110.8	I93 Q130 I131 L133 I149 P192 F194	I93-L95 HydrophobicContact CG2-CD2 4.37Å; L95-Q130 CarbonylContact O-C 3.48Å; L95-Q130 WeakPolarHBondContact O-CA 3.41Å; L95-I131 HydrophobicContact CD1-CD1 3.73Å; L95-I131 HydrophobicContact CD1-CG1 3.57Å; L95-I131 HydrophobicContact CG-CD1 4.49Å; L95-I131 HydrophobicContact CG-CG1 4.08Å; L95-I131 PolarHBondContact N-O 2.8Å; L95-I131 VanDerWaalsContact N-O 3.12Å; L95-I131 PolarHBondContact O-N 2.64Å; L95-L133 HydrophobicContact CD2-CD1 4.06Å; L95-I149 HydrophobicContact CD2-CD1 4.15Å; L95-P192 HydrophobicContact CD1-CB 3.57Å; L95-F194 HydrophobicContact CB-CD1 4.45Å; L95-F194 HydrophobicContact CB-CD2 4.45Å; L95-F194 HydrophobicContact CB-CE1 4.4Å; L95-F194 HydrophobicContact CB-CE2 4.43Å; L95-F194 HydrophobicContact CB-CG 4.47Å; L95-F194 HydrophobicContact CB-CZ 4.39Å; L95-F194 HydrophobicContact CD2-CE2 4.36Å
96	H	98.9	Very high	97.6	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.009	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	141.2	-178.9	-64.5	114.2	0	0	0	112.3	L54 E129 R188 P192 C193 D195 E196	L54-H96 VanDerWaalsContact CG-CE1 3.42Å; L54-H96 WeakPolarHBondContact CG-CE1 3.36Å; H96-E129 CarbonylContact C-O 3.51Å; H96-E129 VanDerWaalsContact CA-O 3.23Å; H96-E129 WeakPolarHBondContact CA-O 3.29Å; H96-E129 PolarHBondContact CD2-O 2.66Å; H96-R188 HydrophobicContact CB-CB 3.63Å; H96-R188 HydrophobicContact CB-CG 4.43Å; H96-R188 PolarHBondContact CD2-NH1 3.28Å; H96-R188 PolarHBondContact CE1-NH2 2.9Å; H96-R188 VanDerWaalsContact CE1-NH2 3.33Å; H96-R188 VanDerWaalsContact CG-CZ 3.44Å; H96-R188 PolarHBondContact ND1-NH2 2.77Å; H96-R188 PolarHBondContact NE2-NH2 2.68Å; H96-P192 CarbonylContact O-C 3.51Å; H96-P192 VanDerWaalsContact O-CA 3.3Å; H96-P192 WeakPolarHBondContact O-CA 3.44Å; H96-C193 WeakPolarHBondContact CA-O 3.31Å; H96-C193 WeakPolarHBondContact CB-O 3.46Å; H96-C193 PolarHBondContact N-O 2.87Å; H96-C193 PolarHBondContact O-N 3Å; H96-D195 HydrophobicContact CB-CB 3.81Å; H96-D195 PolarHBondContact ND1-N 2.87Å; H96-E196 IonicContact CE1-OE1 2.79Å
97	S	98.6	Very high	97.6	Very high	11 Å²	11	47.6 Å²	47.6	8%	0.077	25%	0.254	C	S	.	.			trans	-160.2	127.7	170.8	175.1	0	0	0	0	108.9	E129	S97-E129 PolarHBondContact N-O 3.21Å; S97-E129 CarbonylContact O-C 3.09Å
98	H	98.1	Very high	97.6	Very high	38 Å²	38	48 Å²	48	18%	0.176	25%	0.246	C	C	.	.			trans	-134.5	127.4	-178.3	-172.5	64.6	0	0	0	110.9	L100 E129 R188 M189	H98-L100 PolarHBondContact O-N 3.34Å; H98-E129 HydrophobicContact CB-CB 4.31Å; H98-E129 HydrophobicContact CB-CG 4.44Å; H98-R188 HydrophobicContact CB-CG 4.09Å; H98-R188 PolarHBondContact N-O 2.84Å; H98-M189 HydrophobicContact CB-CG 3.97Å; H98-M189 WeakPolarHBondContact O-CA 3.45Å
99	H	97.2	Very high	97.2	Very high	149 Å²	149	46.5 Å²	46.5	69%	0.69	24%	0.238	S	C	*	.	S	Bend	trans	56.4	27.4	-179.3	-61.3	172.4	0	0	0	115.2
100	L	98.4	Very high	96.3	Very high	14 Å²	14	44.3 Å²	44.3	7%	0.073	23%	0.233	C	C	.	.			trans	-109.1	132.5	172.7	-62.5	179.3	0	0	0	110.3	F76 H98 I102 Y151 M189 P192	F76-L100 HydrophobicContact CE2-CD2 4.06Å; F76-L100 HydrophobicContact CZ-CD2 3.69Å; H98-L100 PolarHBondContact O-N 3.34Å; L100-I102 HydrophobicContact CB-CD1 4.22Å; L100-I102 PolarHBondContact O-N 2.91Å; L100-Y151 HydrophobicContact CB-CD2 4.45Å; L100-Y151 HydrophobicContact CD1-CD2 4Å; L100-Y151 HydrophobicContact CD1-CE2 4.14Å; L100-Y151 HydrophobicContact CD2-CD2 4.02Å; L100-Y151 HydrophobicContact CD2-CE2 4.31Å; L100-Y151 HydrophobicContact CG-CD2 4.4Å; L100-M189 WeakPolarHBondContact CD2-O 3.21Å; L100-P192 HydrophobicContact CD1-CG 3.99Å
101	Q	98.3	Very high	94.9	Very high	148 Å²	148	47.5 Å²	47.5	69%	0.692	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	106.4	174.4	-173.9	179.3	0.5	0	0	109.6	Y151 A152	Q101-Y151 CarbonylContact O-C 3.53Å; Q101-Y151 WeakPolarHBondContact O-CA 3.39Å; Q101-Y151 WeakPolarHBondContact O-CB 3.39Å; Q101-A152 PolarHBondContact N-O 2.82Å; Q101-A152 PolarHBondContact O-N 2.79Å
102	I	98.2	Very high	93.4	Very high	24 Å²	24	48.1 Å²	48.1	12%	0.123	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	119	179.1	-48.4	-53.5	0	0	0	109.6	L100 V122 I131 I149 Y151 P192	L100-I102 HydrophobicContact CB-CD1 4.22Å; L100-I102 PolarHBondContact O-N 2.91Å; I102-V122 HydrophobicContact CG2-CG1 4.46Å; I102-V122 HydrophobicContact CG2-CG2 4.16Å; I102-I131 HydrophobicContact CG1-CD1 4.31Å; I102-I149 HydrophobicContact CD1-CG2 4.06Å; I102-I149 HydrophobicContact CG2-CG2 3.68Å; I102-Y151 HydrophobicContact CD1-CG 4.49Å; I102-P192 HydrophobicContact CD1-CG 3.74Å
103	S	97.2	Very high	91.4	Very high	94 Å²	94	57 Å²	57	66%	0.657	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	-34.6	-178.7	59.9	0	0	0	0	113	H150	S103-H150 PolarHBondContact N-O 2.92Å; S103-H150 WeakPolarHBondContact OG-CB 3.48Å; S103-H150 PolarHBondContact OG-O 2.82Å
104	R	97.7	Very high	90.2	Very high	137 Å²	137	67.7 Å²	67.7	52%	0.517	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	136.9	-179	-177.1	177.5	179	-169.2	-4	110.8	T106 I149 H150	R104-T106 HydrophobicContact CG-CG2 4.4Å; R104-I149 WeakPolarHBondContact O-CA 3.48Å; R104-H150 HydrophobicContact CB-CB 4.3Å; R104-H150 PolarHBondContact N-O 3.03Å; R104-H150 PolarHBondContact O-N 2.88Å
105	A	98.3	Very high	89.4	Confident	6 Å²	6	71.4 Å²	71.4	5%	0.05	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	138	171	0	0	0	0	0	110.5	L120 V122 L133 V148	A105-L120 HydrophobicContact CB-CB 3.93Å; A105-L120 HydrophobicContact CB-CD1 4.49Å; A105-L120 PolarHBondContact O-N 2.72Å; A105-V122 HydrophobicContact CB-CG2 3.64Å; A105-L133 HydrophobicContact CB-CD2 4.14Å; A105-V148 CarbonylContact C-O 3.58Å; A105-V148 VanDerWaalsContact CA-O 3.31Å; A105-V148 WeakPolarHBondContact CA-O 3.44Å
106	T	98	Very high	88.8	Confident	4 Å²	4	73.8 Å²	73.8	3%	0.025	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	149.8	179.7	50.9	0	0	0	0	111	R104 E117 E118 V148	R104-T106 HydrophobicContact CG-CG2 4.4Å; T106-E117 HydrophobicContact CG2-CG 4.14Å; T106-E117 PolarHBondContact OG1-OE1 3.15Å; T106-E118 CarbonylContact C-O 3.51Å; T106-E118 WeakPolarHBondContact CA-O 3.3Å; T106-E118 WeakPolarHBondContact CB-O 3.4Å; T106-V148 PolarHBondContact N-O 3.06Å; T106-V148 PolarHBondContact O-N 3.17Å
107	L	97.3	Very high	88.5	Confident	7 Å²	7	77.4 Å²	77.4	4%	0.037	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	125.2	175.1	-170.8	66.5	0	0	0	109.3	I93 E117 E118 L120 A135 L139 Y145 V147	I93-L107 HydrophobicContact CD1-CD1 4.13Å; L107-E117 WeakPolarHBondContact O-CA 3.18Å; L107-E118 PolarHBondContact N-O 2.83Å; L107-E118 PolarHBondContact O-N 3.12Å; L107-L120 HydrophobicContact CB-CD1 3.96Å; L107-L120 HydrophobicContact CB-CD2 3.94Å; L107-L120 HydrophobicContact CB-CG 3.97Å; L107-A135 HydrophobicContact CD2-CB 4.11Å; L107-L139 HydrophobicContact CD2-CD1 3.89Å; L107-L139 HydrophobicContact CD2-CG 4.31Å; L107-Y145 HydrophobicContact CD1-CD1 4.12Å; L107-Y145 HydrophobicContact CD1-CG 4.34Å; L107-Y145 HydrophobicContact CD2-CD1 3.95Å; L107-Y145 HydrophobicContact CD2-CE1 4.3Å; L107-Y145 HydrophobicContact CG-CD1 3.97Å; L107-V147 HydrophobicContact CD1-CG2 3.87Å
108	R	94.2	Very high	88.3	Confident	74 Å²	74	79 Å²	79	28%	0.279	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	138.7	174.5	-62.3	177.6	178.6	-177.1	-1.9	111	S116 E117 Y145 T146 V148	R108-S116 VanDerWaalsContact CA-O 3.26Å; R108-S116 WeakPolarHBondContact CA-O 3.45Å; R108-E117 HydrophobicContact CG-CB 4.26Å; R108-E117 HydrophobicContact CG-CG 3.97Å; R108-E117 IonicContact CZ-OE1 2.91Å; R108-E117 IonicContact NE-OE1 3.85Å; R108-E117 PolarHBondContact NE-OE1 3.17Å; R108-E117 IonicContact NH2-OE1 3.36Å; R108-E117 PolarHBondContact NH2-OE1 3Å; R108-Y145 WeakPolarHBondContact O-CA 3.5Å; R108-T146 PolarHBondContact N-O 2.91Å; R108-T146 PolarHBondContact O-N 2.8Å; R108-V148 HydrophobicContact CG-CG2 4.34Å
109	K	88.5	Confident	88.2	Confident	79 Å²	79	82.1 Å²	82.1	34%	0.343	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	133.4	175.7	-178.9	-176	-179.6	-178.8	0	109.7	L115 S116 Y145	K109-L115 WeakPolarHBondContact O-CA 3.39Å; K109-S116 PolarHBondContact N-O 3.13Å; K109-S116 PolarHBondContact O-N 3.13Å; K109-Y145 HydrophobicContact CB-CD1 4.19Å; K109-Y145 HydrophobicContact CB-CE1 4.1Å; K109-Y145 HydrophobicContact CD-CE1 4.11Å; K109-Y145 HydrophobicContact CG-CD1 4.48Å; K109-Y145 HydrophobicContact CG-CE1 4.04Å
110	G	76.5	Confident	88.2	Confident	51 Å²	51	75.6 Å²	75.6	53%	0.526	41%	0.408	S	S	.	.	S	Bend	trans	82.3	-175.9	-180	0	0	0	0	0	113.9
111	A	67.6	Low	88.1	Confident	82 Å²	82	80.5 Å²	80.5	68%	0.678	43%	0.431	S	S	*	.	S	Bend	trans	-138.1	153.1	179.3	0	0	0	0	0	110.8	R114	A111-R114 PolarHBondContact O-N 2.73Å
112	G	65.9	Low	88.1	Confident	64 Å²	64	75.5 Å²	75.5	66%	0.66	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	64.2	-132.4	177.1	0	0	0	0	0	113.5	R114 L115	G112-R114 PolarHBondContact O-N 3.05Å; G112-L115 VanDerWaalsContact O-CB 3.31Å; G112-L115 WeakPolarHBondContact O-CB 3.36Å; G112-L115 PolarHBondContact O-N 3.13Å
113	E	54.9	Low	88	Confident	208 Å²	208	75.2 Å²	75.2	97%	0.972	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-67.2	-13.4	-177	-64.7	-179.5	165.5	0	0	114.4
114	R	73.9	Confident	87.9	Confident	225 Å²	225	74.8 Å²	74.8	85%	0.849	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-103.1	15.9	178.4	-62.3	-179.9	-177.2	171.3	0.9	113	A111 G112 S116	A111-R114 PolarHBondContact O-N 2.73Å; G112-R114 PolarHBondContact O-N 3.05Å; R114-S116 PolarHBondContact O-N 3.11Å
115	L	81.3	Confident	87.8	Confident	82 Å²	82	69.6 Å²	69.6	43%	0.429	38%	0.378	S	S	.	.			trans	-72.4	112.1	179.4	-167.7	119.6	0	0	0	110	K109 G112	K109-L115 WeakPolarHBondContact O-CA 3.39Å; G112-L115 VanDerWaalsContact O-CB 3.31Å; G112-L115 WeakPolarHBondContact O-CB 3.36Å; G112-L115 PolarHBondContact O-N 3.13Å
116	S	86.2	Confident	87.6	Confident	50 Å²	50	73.7 Å²	73.7	35%	0.35	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	139.7	166.4	-171.9	0	0	0	0	108.9	R108 K109 R114	R108-S116 VanDerWaalsContact CA-O 3.26Å; R108-S116 WeakPolarHBondContact CA-O 3.45Å; K109-S116 PolarHBondContact N-O 3.13Å; K109-S116 PolarHBondContact O-N 3.13Å; R114-S116 PolarHBondContact O-N 3.11Å
117	E	92.3	Very high	87.4	Confident	78 Å²	78	84.8 Å²	84.8	36%	0.364	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	119.2	173.8	-172	172.5	-125.4	0	0	109.3	T106 L107 R108	T106-E117 HydrophobicContact CG2-CG 4.14Å; T106-E117 PolarHBondContact OG1-OE1 3.15Å; L107-E117 WeakPolarHBondContact O-CA 3.18Å; R108-E117 HydrophobicContact CG-CB 4.26Å; R108-E117 HydrophobicContact CG-CG 3.97Å; R108-E117 IonicContact CZ-OE1 2.91Å; R108-E117 IonicContact NE-OE1 3.85Å; R108-E117 PolarHBondContact NE-OE1 3.17Å; R108-E117 IonicContact NH2-OE1 3.36Å; R108-E117 PolarHBondContact NH2-OE1 3Å
118	E	93.9	Very high	87.4	Confident	45 Å²	45	85.6 Å²	85.6	21%	0.21	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	139.6	-175.3	-69.4	166.1	-155.5	0	0	110	T106 L107 P136	T106-E118 CarbonylContact C-O 3.51Å; T106-E118 WeakPolarHBondContact CA-O 3.3Å; T106-E118 WeakPolarHBondContact CB-O 3.4Å; L107-E118 PolarHBondContact N-O 2.83Å; L107-E118 PolarHBondContact O-N 3.12Å; E118-P136 HydrophobicContact CB-CG 4.25Å; E118-P136 HydrophobicContact CG-CG 4.46Å; E118-P136 VanDerWaalsContact OE2-CG 3.3Å; E118-P136 WeakPolarHBondContact OE2-CG 3.43Å
119	P	96.5	Very high	87.5	Confident	103 Å²	103	83.8 Å²	83.8	67%	0.669	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	140.3	176.1	30.2	-33.7	0	0	0	110.8
120	L	97.3	Very high	88	Confident	12 Å²	12	80.1 Å²	80.1	6%	0.063	43%	0.428	C	S	.	.			trans	-105.1	129.3	172.9	-67.7	170.2	0	0	0	109.6	A105 L107 L133 L134 A135 V147	A105-L120 HydrophobicContact CB-CB 3.93Å; A105-L120 HydrophobicContact CB-CD1 4.49Å; A105-L120 PolarHBondContact O-N 2.72Å; L107-L120 HydrophobicContact CB-CD1 3.96Å; L107-L120 HydrophobicContact CB-CD2 3.94Å; L107-L120 HydrophobicContact CB-CG 3.97Å; L120-L133 HydrophobicContact CB-CB 4.21Å; L120-L133 HydrophobicContact CD1-CB 3.96Å; L120-L133 HydrophobicContact CD1-CD1 4.08Å; L120-L133 HydrophobicContact CD2-CB 4.49Å; L120-L133 HydrophobicContact CG-CB 4.45Å; L120-L134 WeakPolarHBondContact CA-O 3.38Å; L120-L134 WeakPolarHBondContact CD2-O 3.41Å; L120-A135 HydrophobicContact CD2-CB 3.81Å; L120-V147 HydrophobicContact CD1-CG1 3.96Å
121	Q	96.9	Very high	89.1	Confident	118 Å²	118	77.9 Å²	77.9	55%	0.551	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	130.2	168.9	-179.4	-180	-2.4	0	0	109.1	L133 L134	Q121-L133 WeakPolarHBondContact O-CA 3.25Å; Q121-L134 HydrophobicContact CB-CB 4.18Å; Q121-L134 HydrophobicContact CB-CD1 4.42Å; Q121-L134 HydrophobicContact CB-CG 4.5Å; Q121-L134 HydrophobicContact CG-CD1 4.44Å; Q121-L134 PolarHBondContact N-O 2.82Å; Q121-L134 VanDerWaalsContact N-O 3.14Å; Q121-L134 PolarHBondContact O-N 2.8Å
122	V	97.3	Very high	90.5	Very high	43 Å²	43	74 Å²	74	26%	0.261	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	126.1	-179.4	-171.7	0	0	0	0	109.7	I102 A105 I131 A132 L133	I102-V122 HydrophobicContact CG2-CG1 4.46Å; I102-V122 HydrophobicContact CG2-CG2 4.16Å; A105-V122 HydrophobicContact CB-CG2 3.64Å; V122-I131 HydrophobicContact CG1-CB 4.38Å; V122-I131 HydrophobicContact CG1-CD1 4.47Å; V122-A132 WeakPolarHBondContact CA-O 3.47Å; V122-L133 HydrophobicContact CB-CD2 4.37Å; V122-L133 HydrophobicContact CG1-CD2 4.11Å; V122-L133 HydrophobicContact CG2-CD2 3.83Å
123	L	96.1	Very high	92.1	Very high	17 Å²	17	71 Å²	71	9%	0.089	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	145.6	166.7	-56.2	178.9	0	0	0	109	F47 I131 A132 L134	F47-L123 HydrophobicContact CD2-CB 4.11Å; F47-L123 HydrophobicContact CE2-CB 4.24Å; L123-I131 CarbonylContact O-C 3.55Å; L123-I131 WeakPolarHBondContact O-CA 3.32Å; L123-I131 WeakPolarHBondContact O-CB 3.48Å; L123-A132 HydrophobicContact CB-CB 4.26Å; L123-A132 PolarHBondContact N-O 2.83Å; L123-A132 PolarHBondContact O-N 3.36Å; L123-L134 HydrophobicContact CD1-CD1 3.88Å; L123-L134 HydrophobicContact CD1-CD2 4.5Å; L123-L134 HydrophobicContact CD1-CG 4.41Å; L123-L134 HydrophobicContact CG-CD1 4.23Å
124	E	95.4	Very high	94.1	Very high	85 Å²	85	63.1 Å²	63.1	40%	0.397	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138.4	-177	-55.1	176.5	-164.4	0	0	110.6	I131	E124-I131 HydrophobicContact CB-CG2 4.32Å; E124-I131 HydrophobicContact CG-CG2 4.01Å
125	H	96.2	Very high	95.2	Very high	29 Å²	29	53 Å²	53	13%	0.134	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	83.4	172.2	-168.2	-77.5	0	0	0	110.6	P39 F47 R127 Q128 E129 Q130	P39-H125 WeakPolarHBondContact CB-NE2 3.34Å; F47-H125 HydrophobicContact CB-CB 4.48Å; F47-H125 HydrophobicContact CD1-CB 3.71Å; F47-H125 HydrophobicContact CD2-CB 3.73Å; F47-H125 HydrophobicContact CE1-CB 3.76Å; F47-H125 HydrophobicContact CE2-CB 3.75Å; F47-H125 HydrophobicContact CG-CB 3.73Å; F47-H125 HydrophobicContact CZ-CB 3.79Å; H125-R127 VanDerWaalsContact C-N 3.27Å; H125-R127 PolarHBondContact O-N 2.95Å; H125-R127 VanDerWaalsContact O-N 3.15Å; H125-Q128 PolarHBondContact CE1-OE1 3.2Å; H125-Q128 VanDerWaalsContact CE1-OE1 3.31Å; H125-Q128 WeakPolarHBondContact ND1-CB 3.3Å; H125-Q128 WeakPolarHBondContact ND1-CG 3.21Å; H125-Q128 PolarHBondContact ND1-N 2.67Å; H125-Q128 VanDerWaalsContact ND1-N 3.17Å; H125-Q128 PolarHBondContact ND1-OE1 2.79Å; H125-Q128 VanDerWaalsContact ND1-OE1 3.13Å; H125-Q128 PolarHBondContact O-N 3.21Å; H125-Q128 VanDerWaalsContact O-N 3.07Å; H125-E129 PolarHBondContact O-N 3.4Å; H125-E129 VanDerWaalsContact O-N 3.13Å; H125-Q130 PolarHBondContact N-O 2.9Å; H125-Q130 PolarHBondContact O-N 3.44Å
126	P	94.6	Very high	95.7	Very high	92 Å²	92	53.3 Å²	53.3	60%	0.597	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-58.4	-33	-171.7	-27.9	35.7	0	0	0	114.7	Q128 E129	P126-Q128 VanDerWaalsContact C-N 3.28Å; P126-Q128 PolarHBondContact O-N 2.92Å; P126-E129 PolarHBondContact O-N 2.95Å
127	R	93.5	Very high	96	Very high	237 Å²	237	56.9 Å²	56.9	89%	0.894	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-66.1	-27.5	179.3	-83.1	-172.6	163	-148.5	-5	114.1	H125	H125-R127 VanDerWaalsContact C-N 3.27Å; H125-R127 PolarHBondContact O-N 2.95Å; H125-R127 VanDerWaalsContact O-N 3.15Å
128	Q	95.8	Very high	96.1	Very high	23 Å²	23	57.1 Å²	57.1	11%	0.107	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-100	-0.5	174.2	-72.7	170.7	-49.6	0	0	111.1	N50 K51 H125 P126 Q130	N50-Q128 VanDerWaalsContact C-NE2 3.27Å; N50-Q128 PolarHBondContact O-NE2 2.78Å; K51-Q128 VanDerWaalsContact C-NE2 3.35Å; K51-Q128 PolarHBondContact O-NE2 2.72Å; H125-Q128 PolarHBondContact CE1-OE1 3.2Å; H125-Q128 VanDerWaalsContact CE1-OE1 3.31Å; H125-Q128 WeakPolarHBondContact ND1-CB 3.3Å; H125-Q128 WeakPolarHBondContact ND1-CG 3.21Å; H125-Q128 PolarHBondContact ND1-N 2.67Å; H125-Q128 VanDerWaalsContact ND1-N 3.17Å; H125-Q128 PolarHBondContact ND1-OE1 2.79Å; H125-Q128 VanDerWaalsContact ND1-OE1 3.13Å; H125-Q128 PolarHBondContact O-N 3.21Å; H125-Q128 VanDerWaalsContact O-N 3.07Å; P126-Q128 VanDerWaalsContact C-N 3.28Å; P126-Q128 PolarHBondContact O-N 2.92Å; Q128-Q130 HydrophobicContact CB-CB 4.28Å; Q128-Q130 HydrophobicContact CB-CG 4.15Å; Q128-Q130 WeakPolarHBondContact O-CG 3.2Å; Q128-Q130 PolarHBondContact O-N 3.39Å
129	E	98.1	Very high	96.2	Very high	37 Å²	37	55 Å²	55	17%	0.173	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	33.5	-174.8	-54.1	173.3	-176.8	0	0	112.7	H96 S97 H98 H125 P126 R188	H96-E129 CarbonylContact C-O 3.51Å; H96-E129 VanDerWaalsContact CA-O 3.23Å; H96-E129 WeakPolarHBondContact CA-O 3.29Å; H96-E129 PolarHBondContact CD2-O 2.66Å; S97-E129 PolarHBondContact N-O 3.21Å; S97-E129 CarbonylContact O-C 3.09Å; H98-E129 HydrophobicContact CB-CB 4.31Å; H98-E129 HydrophobicContact CB-CG 4.44Å; H125-E129 PolarHBondContact O-N 3.4Å; H125-E129 VanDerWaalsContact O-N 3.13Å; P126-E129 PolarHBondContact O-N 2.95Å; E129-R188 WeakPolarHBondContact OE2-CD 3.47Å; E129-R188 IonicContact OE2-CZ 3.67Å; E129-R188 IonicContact OE2-NE 2.67Å; E129-R188 IonicContact OE2-NH1 3.73Å; E129-R188 PolarHBondContact OE2-NH1 3.41Å
130	Q	98.5	Very high	96	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.009	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	152.8	-174.5	-75.2	167.9	8.5	0	0	111.9	F47 K51 I52 L54 I94 L95 H125 Q128	F47-Q130 HydrophobicContact CE1-CB 4.12Å; F47-Q130 HydrophobicContact CZ-CB 3.92Å; K51-Q130 PolarHBondContact O-NE2 2.72Å; I52-Q130 PolarHBondContact O-NE2 3.37Å; L54-Q130 HydrophobicContact CD2-CG 4.16Å; I94-Q130 HydrophobicContact CG2-CB 4.33Å; I94-Q130 HydrophobicContact CG2-CG 4.24Å; L95-Q130 CarbonylContact O-C 3.48Å; L95-Q130 WeakPolarHBondContact O-CA 3.41Å; H125-Q130 PolarHBondContact N-O 2.9Å; H125-Q130 PolarHBondContact O-N 3.44Å; Q128-Q130 HydrophobicContact CB-CB 4.28Å; Q128-Q130 HydrophobicContact CB-CG 4.15Å; Q128-Q130 WeakPolarHBondContact O-CG 3.2Å; Q128-Q130 PolarHBondContact O-N 3.39Å
131	I	98.4	Very high	95.9	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.021	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	149.7	164.7	61.5	172.8	0	0	0	109.9	I94 L95 I102 V122 L123 E124 L133 P192	I94-I131 WeakPolarHBondContact CA-O 3.14Å; L95-I131 HydrophobicContact CD1-CD1 3.73Å; L95-I131 HydrophobicContact CD1-CG1 3.57Å; L95-I131 HydrophobicContact CG-CD1 4.49Å; L95-I131 HydrophobicContact CG-CG1 4.08Å; L95-I131 PolarHBondContact N-O 2.8Å; L95-I131 VanDerWaalsContact N-O 3.12Å; L95-I131 PolarHBondContact O-N 2.64Å; I102-I131 HydrophobicContact CG1-CD1 4.31Å; V122-I131 HydrophobicContact CG1-CB 4.38Å; V122-I131 HydrophobicContact CG1-CD1 4.47Å; L123-I131 CarbonylContact O-C 3.55Å; L123-I131 WeakPolarHBondContact O-CA 3.32Å; L123-I131 WeakPolarHBondContact O-CB 3.48Å; E124-I131 HydrophobicContact CB-CG2 4.32Å; E124-I131 HydrophobicContact CG-CG2 4.01Å; I131-L133 HydrophobicContact CD1-CD2 4.11Å; I131-P192 HydrophobicContact CD1-CB 4.33Å
132	A	98.4	Very high	95.7	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129.4	173.3	0	0	0	0	0	109.5	F47 P48 T92 I93 I94 V122 L123	F47-A132 HydrophobicContact CD2-CB 4.22Å; F47-A132 HydrophobicContact CE2-CB 3.52Å; F47-A132 HydrophobicContact CZ-CB 3.82Å; P48-A132 HydrophobicContact CG-CB 3.59Å; T92-A132 HydrophobicContact CG2-CB 4.18Å; I93-A132 CarbonylContact O-C 3.51Å; I93-A132 WeakPolarHBondContact O-CA 3.28Å; I94-A132 HydrophobicContact CD1-CB 3.47Å; I94-A132 VanDerWaalsContact CD1-CB 3.47Å; V122-A132 WeakPolarHBondContact CA-O 3.47Å; L123-A132 HydrophobicContact CB-CB 4.26Å; L123-A132 PolarHBondContact N-O 2.83Å; L123-A132 PolarHBondContact O-N 3.36Å
133	L	98.2	Very high	95.5	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	113.6	176	-47.4	176.9	0	0	0	108.3	T92 I93 L95 A105 L120 Q121 V122 I131 V147 I149	T92-L133 WeakPolarHBondContact CA-O 3.44Å; I93-L133 HydrophobicContact CB-CB 4.25Å; I93-L133 PolarHBondContact N-O 3.15Å; I93-L133 PolarHBondContact O-N 2.73Å; L95-L133 HydrophobicContact CD2-CD1 4.06Å; A105-L133 HydrophobicContact CB-CD2 4.14Å; L120-L133 HydrophobicContact CB-CB 4.21Å; L120-L133 HydrophobicContact CD1-CB 3.96Å; L120-L133 HydrophobicContact CD1-CD1 4.08Å; L120-L133 HydrophobicContact CD2-CB 4.49Å; L120-L133 HydrophobicContact CG-CB 4.45Å; Q121-L133 WeakPolarHBondContact O-CA 3.25Å; V122-L133 HydrophobicContact CB-CD2 4.37Å; V122-L133 HydrophobicContact CG1-CD2 4.11Å; V122-L133 HydrophobicContact CG2-CD2 3.83Å; I131-L133 HydrophobicContact CD1-CD2 4.11Å; L133-V147 HydrophobicContact CD1-CG1 3.43Å; L133-V147 VanDerWaalsContact CD1-CG1 3.43Å; L133-I149 HydrophobicContact CD1-CD1 4.03Å
134	L	97.6	Very high	95.4	Very high	44 Å²	44	59.7 Å²	59.7	23%	0.23	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	118.6	-177.7	-46.9	-179.5	0	0	0	109.8	P48 T92 L120 Q121 L123	P48-L134 HydrophobicContact CG-CD2 4.26Å; T92-L134 HydrophobicContact CG2-CD2 3.92Å; L120-L134 WeakPolarHBondContact CA-O 3.38Å; L120-L134 WeakPolarHBondContact CD2-O 3.41Å; Q121-L134 HydrophobicContact CB-CB 4.18Å; Q121-L134 HydrophobicContact CB-CD1 4.42Å; Q121-L134 HydrophobicContact CB-CG 4.5Å; Q121-L134 HydrophobicContact CG-CD1 4.44Å; Q121-L134 PolarHBondContact N-O 2.82Å; Q121-L134 VanDerWaalsContact N-O 3.14Å; Q121-L134 PolarHBondContact O-N 2.8Å; L123-L134 HydrophobicContact CD1-CD1 3.88Å; L123-L134 HydrophobicContact CD1-CD2 4.5Å; L123-L134 HydrophobicContact CD1-CG 4.41Å; L123-L134 HydrophobicContact CG-CD1 4.23Å
135	A	96	Very high	95.5	Very high	11 Å²	11	56.2 Å²	56.2	9%	0.091	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	147.6	173.4	0	0	0	0	0	111	S91 L107 L120 E137 L139	S91-A135 PolarHBondContact O-N 2.99Å; L107-A135 HydrophobicContact CD2-CB 4.11Å; L120-A135 HydrophobicContact CD2-CB 3.81Å; A135-E137 VanDerWaalsContact C-N 3.34Å; A135-E137 WeakPolarHBondContact CB-O 3.23Å; A135-L139 HydrophobicContact CB-CD1 3.9Å
136	P	93.1	Very high	95.6	Very high	89 Å²	89	56.4 Å²	56.4	58%	0.578	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	-33	178.5	28.7	-34.5	0	0	0	112.3	E118	E118-P136 HydrophobicContact CB-CG 4.25Å; E118-P136 HydrophobicContact CG-CG 4.46Å; E118-P136 VanDerWaalsContact OE2-CG 3.3Å; E118-P136 WeakPolarHBondContact OE2-CG 3.43Å
137	E	92.4	Very high	95.7	Very high	126 Å²	126	52 Å²	52	59%	0.589	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	149.4	176.2	-64.8	-172.2	-179.9	0	0	111	A135 L139	A135-E137 VanDerWaalsContact C-N 3.34Å; A135-E137 WeakPolarHBondContact CB-O 3.23Å; E137-L139 PolarHBondContact O-N 2.85Å
138	P	94.8	Very high	96	Very high	82 Å²	82	40.9 Å²	40.9	53%	0.532	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	135.4	173.1	-22.8	33.7	0	0	0	112.4	L140	P138-L140 PolarHBondContact O-N 2.8Å
139	L	94.3	Very high	96.1	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	134.2	170.6	-79.8	69.2	0	0	0	109.6	I84 A86 P89 T90 I93 L107 A135 E137 Y145	I84-L139 HydrophobicContact CD1-CD2 3.99Å; A86-L139 HydrophobicContact CB-CB 4.21Å; A86-L139 HydrophobicContact CB-CD2 4.46Å; P89-L139 WeakPolarHBondContact CA-O 3.31Å; T90-L139 WeakPolarHBondContact O-CB 3.39Å; T90-L139 WeakPolarHBondContact O-CD1 3.25Å; T90-L139 PolarHBondContact O-N 2.81Å; I93-L139 HydrophobicContact CD1-CD2 4.12Å; I93-L139 HydrophobicContact CG1-CD2 4.29Å; L107-L139 HydrophobicContact CD2-CD1 3.89Å; L107-L139 HydrophobicContact CD2-CG 4.31Å; A135-L139 HydrophobicContact CB-CD1 3.9Å; E137-L139 PolarHBondContact O-N 2.85Å; L139-Y145 HydrophobicContact CB-CE2 4Å; L139-Y145 HydrophobicContact CD2-CD2 4.01Å; L139-Y145 HydrophobicContact CD2-CE2 4.31Å; L139-Y145 HydrophobicContact CD2-CG 4.21Å; L139-Y145 HydrophobicContact CG-CD1 4.42Å; L139-Y145 HydrophobicContact CG-CD2 4.16Å; L139-Y145 HydrophobicContact CG-CE1 4.24Å; L139-Y145 HydrophobicContact CG-CE2 4.01Å; L139-Y145 HydrophobicContact CG-CG 4.37Å
140	L	93.3	Very high	96.2	Very high	89 Å²	89	40.7 Å²	40.7	47%	0.466	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-80.7	135	177	-63.4	174.2	0	0	0	109.7	P138 G142 L143 Y145	P138-L140 PolarHBondContact O-N 2.8Å; L140-G142 PolarHBondContact O-N 2.88Å; L140-L143 HydrophobicContact CB-CD1 3.74Å; L140-L143 HydrophobicContact CB-CG 4.05Å; L140-L143 HydrophobicContact CD1-CD1 3.65Å; L140-L143 HydrophobicContact CG-CD1 4.32Å; L140-L143 PolarHBondContact O-N 2.79Å; L140-Y145 PolarHBondContact N-OH 3Å
141	V	95.9	Very high	96.2	Very high	82 Å²	82	40.8 Å²	40.8	50%	0.497	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	134.3	-177.9	178.3	0	0	0	0	111.1	A86 S87 P89 L143	A86-V141 CarbonylContact O-C 3.54Å; A86-V141 WeakPolarHBondContact O-CA 3.5Å; S87-V141 WeakPolarHBondContact O-CG1 3.41Å; P89-V141 HydrophobicContact CB-CG2 4.41Å; V141-L143 PolarHBondContact O-N 3.41Å
142	G	91.6	Very high	96.2	Very high	56 Å²	56	41.8 Å²	41.8	58%	0.577	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	-4	175.1	0	0	0	0	0	115.7	A86 L140	A86-G142 PolarHBondContact O-N 3.09Å; L140-G142 PolarHBondContact O-N 2.88Å
143	L	93.2	Very high	96.2	Very high	73 Å²	73	42.2 Å²	42.2	38%	0.382	26%	0.257	S	S	.	.			trans	-83.7	142.4	174	-63.7	-169.3	0	0	0	111.2	L140 V141 Y145	L140-L143 HydrophobicContact CB-CD1 3.74Å; L140-L143 HydrophobicContact CB-CG 4.05Å; L140-L143 HydrophobicContact CD1-CD1 3.65Å; L140-L143 HydrophobicContact CG-CD1 4.32Å; L140-L143 PolarHBondContact O-N 2.79Å; V141-L143 PolarHBondContact O-N 3.41Å; L143-Y145 HydrophobicContact CB-CE2 3.87Å; L143-Y145 VanDerWaalsContact O-CD2 3.27Å; L143-Y145 WeakPolarHBondContact O-CD2 3.27Å
144	P	94.8	Very high	96.2	Very high	91 Å²	91	48.1 Å²	48.1	59%	0.591	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	134.2	173.3	31.3	-33.4	0	0	0	110.6	I84	I84-P144 WeakPolarHBondContact O-CA 3.18Å
145	Y	96.4	Very high	96.2	Very high	11 Å²	11	46.3 Å²	46.3	4%	0.043	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	153.9	171.6	-67.7	-95.7	0	0	0	109.5	E83 I84 L107 R108 K109 L139 L140 L143	E83-Y145 CarbonylContact C-O 3.55Å; E83-Y145 VanDerWaalsContact CA-O 3.31Å; E83-Y145 WeakPolarHBondContact CA-O 3.24Å; I84-Y145 PolarHBondContact N-O 2.78Å; I84-Y145 PolarHBondContact O-N 2.72Å; L107-Y145 HydrophobicContact CD1-CD1 4.12Å; L107-Y145 HydrophobicContact CD1-CG 4.34Å; L107-Y145 HydrophobicContact CD2-CD1 3.95Å; L107-Y145 HydrophobicContact CD2-CE1 4.3Å; L107-Y145 HydrophobicContact CG-CD1 3.97Å; R108-Y145 WeakPolarHBondContact O-CA 3.5Å; K109-Y145 HydrophobicContact CB-CD1 4.19Å; K109-Y145 HydrophobicContact CB-CE1 4.1Å; K109-Y145 HydrophobicContact CD-CE1 4.11Å; K109-Y145 HydrophobicContact CG-CD1 4.48Å; K109-Y145 HydrophobicContact CG-CE1 4.04Å; L139-Y145 HydrophobicContact CB-CE2 4Å; L139-Y145 HydrophobicContact CD2-CD2 4.01Å; L139-Y145 HydrophobicContact CD2-CE2 4.31Å; L139-Y145 HydrophobicContact CD2-CG 4.21Å; L139-Y145 HydrophobicContact CG-CD1 4.42Å; L139-Y145 HydrophobicContact CG-CD2 4.16Å; L139-Y145 HydrophobicContact CG-CE1 4.24Å; L139-Y145 HydrophobicContact CG-CE2 4.01Å; L139-Y145 HydrophobicContact CG-CG 4.37Å; L140-Y145 PolarHBondContact N-OH 3Å; L143-Y145 HydrophobicContact CB-CE2 3.87Å; L143-Y145 VanDerWaalsContact O-CD2 3.27Å; L143-Y145 WeakPolarHBondContact O-CD2 3.27Å
146	T	97.9	Very high	96.3	Very high	33 Å²	33	46.8 Å²	46.8	20%	0.202	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	116.3	171.2	-49.4	0	0	0	0	109.8	K81 V82 R108 V148	K81-T146 HydrophobicContact CB-CG2 3.86Å; V82-T146 CarbonylContact O-C 3.37Å; V82-T146 WeakPolarHBondContact O-CA 3.47Å; R108-T146 PolarHBondContact N-O 2.91Å; R108-T146 PolarHBondContact O-N 2.8Å; T146-V148 HydrophobicContact CG2-CG2 4.17Å
147	V	98.4	Very high	96.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	125	171.6	-176.1	0	0	0	0	108	K81 V82 I84 I93 L107 L120 L133 I149	K81-V147 CarbonylContact C-O 3.58Å; K81-V147 VanDerWaalsContact CA-O 3.28Å; K81-V147 WeakPolarHBondContact CA-O 3.3Å; V82-V147 HydrophobicContact CG1-CB 3.7Å; V82-V147 HydrophobicContact CG1-CG1 4.47Å; V82-V147 HydrophobicContact CG1-CG2 4.3Å; V82-V147 PolarHBondContact N-O 3.35Å; V82-V147 PolarHBondContact O-N 3.47Å; I84-V147 HydrophobicContact CD1-CG2 3.58Å; I84-V147 HydrophobicContact CG1-CG2 4.15Å; I93-V147 HydrophobicContact CD1-CG2 3.69Å; L107-V147 HydrophobicContact CD1-CG2 3.87Å; L120-V147 HydrophobicContact CD1-CG1 3.96Å; L133-V147 HydrophobicContact CD1-CG1 3.43Å; L133-V147 VanDerWaalsContact CD1-CG1 3.43Å; V147-I149 HydrophobicContact CG1-CD1 4.03Å; V147-I149 HydrophobicContact CG1-CG1 3.83Å
148	V	98.6	Very high	96.5	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.018	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.7	177.8	-176	0	0	0	0	109.1	T79 T80 K81 A105 T106 R108 T146	T79-V148 HydrophobicContact CG2-CG1 4.19Å; T80-V148 CarbonylContact O-C 3.42Å; T80-V148 WeakPolarHBondContact O-CA 3.23Å; K81-V148 HydrophobicContact CB-CG2 4.35Å; K81-V148 HydrophobicContact CD-CG2 4.44Å; K81-V148 HydrophobicContact CG-CB 4.45Å; K81-V148 HydrophobicContact CG-CG1 4.07Å; K81-V148 HydrophobicContact CG-CG2 3.93Å; A105-V148 CarbonylContact C-O 3.58Å; A105-V148 VanDerWaalsContact CA-O 3.31Å; A105-V148 WeakPolarHBondContact CA-O 3.44Å; T106-V148 PolarHBondContact N-O 3.06Å; T106-V148 PolarHBondContact O-N 3.17Å; R108-V148 HydrophobicContact CG-CG2 4.34Å; T146-V148 HydrophobicContact CG2-CG2 4.17Å
149	I	98.8	Very high	96.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.1	-175.7	-48.2	174.8	0	0	0	109	T79 T80 L95 I102 R104 L133 V147 Y151 P192	T79-I149 WeakPolarHBondContact CA-O 3.36Å; T80-I149 PolarHBondContact N-O 3.2Å; T80-I149 PolarHBondContact O-N 3.13Å; L95-I149 HydrophobicContact CD2-CD1 4.15Å; I102-I149 HydrophobicContact CD1-CG2 4.06Å; I102-I149 HydrophobicContact CG2-CG2 3.68Å; R104-I149 WeakPolarHBondContact O-CA 3.48Å; L133-I149 HydrophobicContact CD1-CD1 4.03Å; V147-I149 HydrophobicContact CG1-CD1 4.03Å; V147-I149 HydrophobicContact CG1-CG1 3.83Å; I149-Y151 HydrophobicContact CG2-CD1 4.41Å; I149-P192 HydrophobicContact CD1-CB 3.94Å; I149-P192 HydrophobicContact CD1-CG 4.43Å; I149-P192 HydrophobicContact CG2-CG 4.14Å
150	H	98.8	Very high	96.6	Very high	56 Å²	56	48.9 Å²	48.9	26%	0.259	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	132.7	171.4	-61	-82.2	0	0	0	109.5	T79 S103 R104	T79-H150 PolarHBondContact OG1-ND1 3.26Å; S103-H150 PolarHBondContact N-O 2.92Å; S103-H150 WeakPolarHBondContact OG-CB 3.48Å; S103-H150 PolarHBondContact OG-O 2.82Å; R104-H150 HydrophobicContact CB-CB 4.3Å; R104-H150 PolarHBondContact N-O 3.03Å; R104-H150 PolarHBondContact O-N 2.88Å
151	Y	98.8	Very high	96.8	Very high	5 Å²	5	44.6 Å²	44.6	2%	0.02	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	166.3	-174.5	62.3	-86.2	0	0	0	112.3	I67 F76 G78 T80 L100 Q101 I102 I149 A190 F191 P192	I67-Y151 VanDerWaalsContact CD1-OH 3.23Å; I67-Y151 WeakPolarHBondContact CD1-OH 3.26Å; F76-Y151 AromaticContact CE2-CE2 4Å; F76-Y151 HydrophobicContact CE2-CE2 4Å; G78-Y151 VanDerWaalsContact C-CE1 3.47Å; G78-Y151 VanDerWaalsContact CA-CZ 3.46Å; G78-Y151 PolarHBondContact N-O 2.96Å; G78-Y151 PolarHBondContact O-N 3.12Å; T80-Y151 WeakPolarHBondContact OG1-CE1 3.28Å; L100-Y151 HydrophobicContact CB-CD2 4.45Å; L100-Y151 HydrophobicContact CD1-CD2 4Å; L100-Y151 HydrophobicContact CD1-CE2 4.14Å; L100-Y151 HydrophobicContact CD2-CD2 4.02Å; L100-Y151 HydrophobicContact CD2-CE2 4.31Å; L100-Y151 HydrophobicContact CG-CD2 4.4Å; Q101-Y151 CarbonylContact O-C 3.53Å; Q101-Y151 WeakPolarHBondContact O-CA 3.39Å; Q101-Y151 WeakPolarHBondContact O-CB 3.39Å; I102-Y151 HydrophobicContact CD1-CG 4.49Å; I149-Y151 HydrophobicContact CG2-CD1 4.41Å; Y151-A190 WeakPolarHBondContact CE2-O 3.49Å; Y151-A190 PolarHBondContact OH-O 3.03Å; Y151-A190 VanDerWaalsContact OH-O 3.09Å; Y151-F191 HydrophobicContact CE1-CB 4.49Å; Y151-F191 WeakPolarHBondContact OH-CA 3.34Å; Y151-F191 WeakPolarHBondContact OH-CB 3.32Å; Y151-P192 HydrophobicContact CD1-CG 4.1Å; Y151-P192 VanDerWaalsContact CE1-CD 3.5Å; Y151-P192 HydrophobicContact CE1-CG 4.41Å; Y151-P192 HydrophobicContact CG-CG 4.39Å
152	A	98.7	Very high	96.9	Very high	24 Å²	24	40.9 Å²	40.9	20%	0.198	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	155.3	173.2	0	0	0	0	0	110.3	F76 Q101	F76-A152 WeakPolarHBondContact O-CA 3.5Å; Q101-A152 PolarHBondContact N-O 2.82Å; Q101-A152 PolarHBondContact O-N 2.79Å
153	G	98.1	Very high	97.3	Very high	10 Å²	10	38.2 Å²	38.2	10%	0.103	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	168.3	174.4	0	0	0	0	0	111.2	F76	F76-G153 VanDerWaalsContact CD1-O 3.31Å; F76-G153 WeakPolarHBondContact CD1-O 3.45Å; F76-G153 PolarHBondContact N-O 2.83Å; F76-G153 PolarHBondContact O-N 2.79Å
154	N	98.4	Very high	97.5	Very high	123 Å²	123	36.9 Å²	36.9	66%	0.658	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	145.3	169	-62.4	-27.9	0	0	0	108.5	T75 F76 S156	T75-N154 WeakPolarHBondContact CG2-OD1 3.37Å; F76-N154 WeakPolarHBondContact CE1-O 3.49Å; N154-S156 PolarHBondContact O-N 2.83Å
155	L	98.3	Very high	97.6	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.031	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-57.5	132.2	169.3	-67	179.8	0	0	0	108.5	L74 F76 F162 K164 A178	L74-L155 HydrophobicContact CD2-CD1 4.17Å; L74-L155 PolarHBondContact O-N 2.88Å; F76-L155 HydrophobicContact CD1-CD2 4.07Å; L155-F162 WeakPolarHBondContact CA-O 3.31Å; L155-F162 HydrophobicContact CD2-CD1 3.47Å; L155-F162 VanDerWaalsContact CD2-CD1 3.47Å; L155-F162 HydrophobicContact CD2-CD2 4.17Å; L155-F162 HydrophobicContact CD2-CE1 3.47Å; L155-F162 VanDerWaalsContact CD2-CE1 3.47Å; L155-F162 HydrophobicContact CD2-CE2 4.17Å; L155-F162 HydrophobicContact CD2-CG 3.83Å; L155-F162 HydrophobicContact CD2-CZ 3.83Å; L155-K164 HydrophobicContact CB-CB 4.35Å; L155-A178 HydrophobicContact CD1-CB 3.95Å; L155-A178 HydrophobicContact CD2-CB 4.08Å
156	S	97.6	Very high	97.7	Very high	21 Å²	21	34.1 Å²	34.1	15%	0.147	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-64.3	142	178.6	-170.3	0	0	0	0	110.6	N154 T158 H160 F162 Y163 K164	N154-S156 PolarHBondContact O-N 2.83Å; S156-T158 VanDerWaalsContact C-N 3.33Å; S156-T158 PolarHBondContact OG-N 2.89Å; S156-T158 VanDerWaalsContact OG-N 3.11Å; S156-T158 PolarHBondContact OG-OG1 3.26Å; S156-H160 WeakPolarHBondContact CB-O 3.44Å; S156-H160 PolarHBondContact OG-O 3.45Å; S156-F162 PolarHBondContact N-O 3.46Å; S156-Y163 WeakPolarHBondContact O-CA 3.36Å; S156-Y163 WeakPolarHBondContact O-CB 3.41Å; S156-K164 PolarHBondContact O-N 2.96Å
157	E	95.9	Very high	97.7	Very high	129 Å²	129	33.4 Å²	33.4	60%	0.603	17%	0.174	S	C	*	.	S	Bend	trans	-91.6	-1.9	170.1	-63.1	-67.7	155.9	0	0	111.5	K164	E157-K164 IonicContact OE1-NZ 3.27Å; E157-K164 PolarHBondContact OE1-NZ 2.89Å; E157-K164 WeakPolarHBondContact OE2-CE 3.16Å; E157-K164 IonicContact OE2-NZ 2.68Å; E157-K164 PolarHBondContact OE2-NZ 3.35Å
158	T	95.2	Very high	97.7	Very high	57 Å²	57	41.6 Å²	41.6	35%	0.35	21%	0.205	S	C	.	.	S	Bend	trans	-89.3	-174.6	170.6	72.9	0	0	0	0	110.4	S156 H160 Y163	S156-T158 VanDerWaalsContact C-N 3.33Å; S156-T158 PolarHBondContact OG-N 2.89Å; S156-T158 VanDerWaalsContact OG-N 3.11Å; S156-T158 PolarHBondContact OG-OG1 3.26Å; T158-H160 PolarHBondContact OG1-CD2 3.03Å; T158-H160 PolarHBondContact OG1-CE1 3.1Å; T158-H160 PolarHBondContact OG1-N 2.98Å; T158-H160 PolarHBondContact OG1-ND1 3.5Å; T158-H160 PolarHBondContact OG1-NE2 2.9Å; T158-H160 PolarHBondContact OG1-O 3.25Å; T158-Y163 VanDerWaalsContact O-CB 3.29Å; T158-Y163 WeakPolarHBondContact O-CB 3.46Å; T158-Y163 WeakPolarHBondContact O-CD2 3.18Å
159	F	94.2	Very high	97.6	Very high	90 Å²	90	42.2 Å²	42.2	40%	0.395	21%	0.208	S	C	.	.	S	Bend	trans	-99.2	21.5	177.4	-52.2	-68.7	0	0	0	113.5	Q181 D313 Q315	F159-Q181 WeakPolarHBondContact O-CB 3.44Å; F159-D313 HydrophobicContact CD1-CB 4.34Å; F159-D313 HydrophobicContact CE1-CB 4.06Å; F159-Q315 HydrophobicContact CB-CB 3.45Å; F159-Q315 VanDerWaalsContact CB-CB 3.45Å; F159-Q315 HydrophobicContact CB-CG 4.5Å; F159-Q315 HydrophobicContact CD2-CB 3.98Å; F159-Q315 HydrophobicContact CD2-CG 4.49Å; F159-Q315 HydrophobicContact CG-CB 3.89Å
160	H	95.6	Very high	97.4	Very high	67 Å²	67	49.5 Å²	49.5	31%	0.31	24%	0.24	S	C	.	.	S	Bend	trans	-140.8	163.7	179.3	59.3	-100.5	0	0	0	111.9	S156 T158 Q181 A186 M189	S156-H160 WeakPolarHBondContact CB-O 3.44Å; S156-H160 PolarHBondContact OG-O 3.45Å; T158-H160 PolarHBondContact OG1-CD2 3.03Å; T158-H160 PolarHBondContact OG1-CE1 3.1Å; T158-H160 PolarHBondContact OG1-N 2.98Å; T158-H160 PolarHBondContact OG1-ND1 3.5Å; T158-H160 PolarHBondContact OG1-NE2 2.9Å; T158-H160 PolarHBondContact OG1-O 3.25Å; H160-Q181 WeakPolarHBondContact CA-O 3.12Å; H160-A186 HydrophobicContact CB-CB 4.14Å; H160-M189 VanDerWaalsContact CD2-SD 3.56Å
161	G	97.9	Very high	97.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	76.6	-148.9	-169.8	0	0	0	0	0	110.5	T180 Q181 F182	G161-T180 VanDerWaalsContact O-CA 3.32Å; G161-T180 WeakPolarHBondContact O-CA 3.5Å; G161-Q181 PolarHBondContact N-O 2.86Å; G161-Q181 PolarHBondContact O-N 3.22Å; G161-F182 WeakPolarHBondContact O-CE1 3.39Å
162	F	98.6	Very high	97.1	Very high	3 Å²	3	55.9 Å²	55.9	1%	0.013	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	105.3	169.7	-175.8	-147.7	0	0	0	108.7	I67 A69 F76 L155 S156 A178 S179 T180 A190 F249 I251	I67-F162 HydrophobicContact CG2-CE1 3.87Å; I67-F162 HydrophobicContact CG2-CZ 4.46Å; A69-F162 HydrophobicContact CB-CE1 3.71Å; A69-F162 HydrophobicContact CB-CZ 3.74Å; F76-F162 HydrophobicContact CB-CD1 4.31Å; F76-F162 HydrophobicContact CB-CE1 4.01Å; F76-F162 AromaticContact CD1-CD1 3.8Å; F76-F162 HydrophobicContact CD1-CD1 3.8Å; F76-F162 HydrophobicContact CD1-CE1 4.3Å; F76-F162 HydrophobicContact CD2-CD1 4.13Å; F76-F162 HydrophobicContact CD2-CE1 4.5Å; F76-F162 HydrophobicContact CE1-CD1 4.06Å; F76-F162 HydrophobicContact CE2-CD1 4.36Å; F76-F162 AromaticContact CG-CD1 3.83Å; F76-F162 HydrophobicContact CG-CD1 3.83Å; F76-F162 HydrophobicContact CG-CE1 4.05Å; F76-F162 HydrophobicContact CZ-CD1 4.34Å; L155-F162 WeakPolarHBondContact CA-O 3.31Å; L155-F162 HydrophobicContact CD2-CD1 3.47Å; L155-F162 VanDerWaalsContact CD2-CD1 3.47Å; L155-F162 HydrophobicContact CD2-CD2 4.17Å; L155-F162 HydrophobicContact CD2-CE1 3.47Å; L155-F162 VanDerWaalsContact CD2-CE1 3.47Å; L155-F162 HydrophobicContact CD2-CE2 4.17Å; L155-F162 HydrophobicContact CD2-CG 3.83Å; L155-F162 HydrophobicContact CD2-CZ 3.83Å; S156-F162 PolarHBondContact N-O 3.46Å; F162-A178 HydrophobicContact CD2-CB 4.38Å; F162-A178 HydrophobicContact CE2-CB 3.49Å; F162-A178 VanDerWaalsContact CE2-CB 3.49Å; F162-A178 HydrophobicContact CZ-CB 3.72Å; F162-S179 WeakPolarHBondContact CD2-O 3.28Å; F162-T180 HydrophobicContact CB-CG2 4.33Å; F162-T180 HydrophobicContact CD2-CG2 3.7Å; F162-T180 HydrophobicContact CE2-CG2 4.42Å; F162-T180 HydrophobicContact CG-CG2 4.33Å; F162-A190 HydrophobicContact CB-CB 3.83Å; F162-F249 HydrophobicContact CD1-CE2 4.05Å; F162-F249 HydrophobicContact CD2-CD2 4.2Å; F162-F249 AromaticContact CD2-CE2 3.64Å; F162-F249 HydrophobicContact CD2-CE2 3.64Å; F162-F249 HydrophobicContact CE1-CE2 4.04Å; F162-F249 AromaticContact CE2-CD2 3.87Å; F162-F249 HydrophobicContact CE2-CD2 3.87Å; F162-F249 AromaticContact CE2-CE2 3.65Å; F162-F249 HydrophobicContact CE2-CE2 3.65Å; F162-F249 AromaticContact CG-CE2 3.86Å; F162-F249 HydrophobicContact CG-CE2 3.86Å; F162-F249 HydrophobicContact CZ-CD2 4.19Å; F162-F249 AromaticContact CZ-CE2 3.86Å; F162-F249 HydrophobicContact CZ-CE2 3.86Å; F162-I251 HydrophobicContact CZ-CD1 4.19Å
163	Y	98.6	Very high	97	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	158.2	-161.5	74.9	-86.5	0	0	0	112.6	S156 T158 A178 S179 Q181 D313 F314	S156-Y163 WeakPolarHBondContact O-CA 3.36Å; S156-Y163 WeakPolarHBondContact O-CB 3.41Å; T158-Y163 VanDerWaalsContact O-CB 3.29Å; T158-Y163 WeakPolarHBondContact O-CB 3.46Å; T158-Y163 WeakPolarHBondContact O-CD2 3.18Å; Y163-A178 CarbonylContact O-C 3.57Å; Y163-A178 VanDerWaalsContact O-CA 3.3Å; Y163-A178 WeakPolarHBondContact O-CA 3.36Å; Y163-S179 WeakPolarHBondContact CD1-O 3.31Å; Y163-S179 PolarHBondContact N-O 2.95Å; Y163-S179 PolarHBondContact O-N 2.87Å; Y163-Q181 HydrophobicContact CE1-CB 3.96Å; Y163-D313 WeakPolarHBondContact CE2-O 3.45Å; Y163-D313 PolarHBondContact OH-O 3.03Å; Y163-F314 WeakPolarHBondContact OH-CD2 3.39Å
164	K	97.9	Very high	96.9	Very high	46 Å²	46	63.2 Å²	63.2	20%	0.2	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	136.1	177.2	-178.1	-168.7	71.5	-155.1	0	110.2	L74 L155 S156 E157 T166 I176	L74-K164 HydrophobicContact CD1-CD 3.73Å; L74-K164 HydrophobicContact CD2-CD 3.61Å; L74-K164 HydrophobicContact CD2-CG 4.14Å; L74-K164 HydrophobicContact CG-CD 4.31Å; L155-K164 HydrophobicContact CB-CB 4.35Å; S156-K164 PolarHBondContact O-N 2.96Å; E157-K164 IonicContact OE1-NZ 3.27Å; E157-K164 PolarHBondContact OE1-NZ 2.89Å; E157-K164 WeakPolarHBondContact OE2-CE 3.16Å; E157-K164 IonicContact OE2-NZ 2.68Å; E157-K164 PolarHBondContact OE2-NZ 3.35Å; K164-T166 HydrophobicContact CD-CG2 4.43Å; K164-T166 HydrophobicContact CG-CG2 4.43Å; K164-I176 HydrophobicContact CD-CG2 4.13Å; K164-I176 HydrophobicContact CG-CG2 3.66Å
165	S	98.1	Very high	96.9	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.007	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	156.3	165.4	172.5	0	0	0	0	110	L177 D313	S165-L177 PolarHBondContact N-O 3.25Å; S165-L177 PolarHBondContact O-N 3.07Å; S165-L177 VanDerWaalsContact O-O 3.09Å; S165-D313 VanDerWaalsContact CA-OD2 3.3Å; S165-D313 WeakPolarHBondContact CA-OD2 3.21Å; S165-D313 WeakPolarHBondContact CB-OD2 3.16Å; S165-D313 WeakPolarHBondContact OG-CB 3.36Å; S165-D313 PolarHBondContact OG-N 3.43Å; S165-D313 VanDerWaalsContact OG-N 3.16Å; S165-D313 PolarHBondContact OG-OD2 2.85Å
166	T	97.8	Very high	96.9	Very high	43 Å²	43	63.1 Å²	63.1	26%	0.264	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	152.8	-177.3	66.9	0	0	0	0	111.9	K164 R175 I176 P312 D313	K164-T166 HydrophobicContact CD-CG2 4.43Å; K164-T166 HydrophobicContact CG-CG2 4.43Å; T166-R175 WeakPolarHBondContact CA-O 3.27Å; T166-R175 WeakPolarHBondContact CB-O 3.34Å; T166-I176 HydrophobicContact CG2-CG1 4.18Å; T166-P312 WeakPolarHBondContact O-CB 3.49Å; T166-D313 PolarHBondContact N-OD2 2.84Å
167	Y	98	Very high	97	Very high	18 Å²	18	62.1 Å²	62.1	7%	0.071	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	165.4	169.7	69.8	-86.1	0	0	0	110.6	T169 R175 L177 D253 V272 P312	Y167-T169 HydrophobicContact CE2-CG2 4.31Å; Y167-R175 HydrophobicContact CD1-CB 3.87Å; Y167-R175 HydrophobicContact CD2-CB 4.31Å; Y167-R175 HydrophobicContact CE1-CB 3.39Å; Y167-R175 HydrophobicContact CE1-CG 4.25Å; Y167-R175 HydrophobicContact CE2-CB 3.88Å; Y167-R175 HydrophobicContact CE2-CG 4.01Å; Y167-R175 HydrophobicContact CG-CB 4.3Å; Y167-R175 VanDerWaalsContact CZ-CB 3.4Å; Y167-R175 PolarHBondContact N-O 3.15Å; Y167-R175 PolarHBondContact O-N 3.28Å; Y167-L177 HydrophobicContact CD1-CD2 3.92Å; Y167-L177 HydrophobicContact CE1-CD2 4.27Å; Y167-D253 WeakPolarHBondContact CE1-OD1 3.46Å; Y167-D253 PolarHBondContact OH-OD1 3.2Å; Y167-D253 PolarHBondContact OH-OD2 3.47Å; Y167-V272 HydrophobicContact CD1-CG1 3.58Å; Y167-V272 HydrophobicContact CD2-CB 4.09Å; Y167-V272 HydrophobicContact CD2-CG1 3.72Å; Y167-V272 HydrophobicContact CE1-CG1 3.74Å; Y167-V272 HydrophobicContact CE2-CB 3.98Å; Y167-V272 HydrophobicContact CE2-CG1 3.88Å; Y167-V272 HydrophobicContact CG-CB 4.43Å; Y167-V272 HydrophobicContact CG-CG1 3.57Å; Y167-P312 HydrophobicContact CD1-CG 4.36Å; Y167-P312 HydrophobicContact CG-CG 4.48Å
168	R	97.3	Very high	97.1	Very high	172 Å²	172	56 Å²	56	65%	0.649	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	132.9	174.6	-69.5	-175.1	174.7	-86.1	0.4	110.4	G172 E173 L174	R168-G172 PolarHBondContact NH1-O 2.88Å; R168-E173 VanDerWaalsContact CA-O 3.29Å; R168-E173 WeakPolarHBondContact CA-O 3.47Å; R168-L174 HydrophobicContact CG-CD1 4.3Å
169	T	96.6	Very high	97.3	Very high	16 Å²	16	53.2 Å²	53.2	10%	0.098	25%	0.25	C	S	.	.			trans	-70.5	168.6	170.1	76.2	0	0	0	0	110.5	Y167 E171 G172 E173 R175	Y167-T169 HydrophobicContact CE2-CG2 4.31Å; T169-E171 WeakPolarHBondContact CB-OE2 3.36Å; T169-E171 PolarHBondContact O-N 2.91Å; T169-E171 PolarHBondContact OG1-N 2.91Å; T169-E171 PolarHBondContact OG1-OE2 2.83Å; T169-G172 WeakPolarHBondContact O-CA 3.25Å; T169-G172 PolarHBondContact O-N 2.99Å; T169-E173 HydrophobicContact CG2-CB 4.06Å; T169-E173 PolarHBondContact N-O 3.23Å; T169-E173 PolarHBondContact OG1-N 2.87Å; T169-R175 HydrophobicContact CG2-CG 4.03Å
170	K	94.8	Very high	97.5	Very high	153 Å²	153	49 Å²	49	67%	0.665	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-32.2	172.4	-76.9	173.6	-173.5	132.4	0	113.8	G172 D274	K170-G172 PolarHBondContact O-N 2.84Å; K170-D274 VanDerWaalsContact CD-OD1 3.3Å; K170-D274 WeakPolarHBondContact CD-OD1 3.13Å; K170-D274 VanDerWaalsContact CE-OD1 3.28Å; K170-D274 WeakPolarHBondContact CE-OD1 3.34Å; K170-D274 PolarHBondContact N-OD2 3.47Å; K170-D274 IonicContact NZ-OD1 3.65Å; K170-D274 PolarHBondContact NZ-OD1 2.84Å
171	E	95.5	Very high	97.6	Very high	160 Å²	160	46.5 Å²	46.5	75%	0.748	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-5	177.1	-55.8	70.4	-150.1	0	0	112.9	T169	T169-E171 WeakPolarHBondContact CB-OE2 3.36Å; T169-E171 PolarHBondContact O-N 2.91Å; T169-E171 PolarHBondContact OG1-N 2.91Å; T169-E171 PolarHBondContact OG1-OE2 2.83Å
172	G	95.1	Very high	97.6	Very high	35 Å²	35	46.5 Å²	46.5	36%	0.361	22%	0.22	S	C	.	.			trans	89.4	5.5	178	0	0	0	0	0	115.1	R168 T169 K170	R168-G172 PolarHBondContact NH1-O 2.88Å; T169-G172 WeakPolarHBondContact O-CA 3.25Å; T169-G172 PolarHBondContact O-N 2.99Å; K170-G172 PolarHBondContact O-N 2.84Å
173	E	96.9	Very high	97.6	Very high	98 Å²	98	47.3 Å²	47.3	46%	0.458	22%	0.224	S	C	.	.			trans	-65.1	132.8	176.4	-166.9	-165.4	158.2	0	0	110.5	R168 T169 R175	R168-E173 VanDerWaalsContact CA-O 3.29Å; R168-E173 WeakPolarHBondContact CA-O 3.47Å; T169-E173 HydrophobicContact CG2-CB 4.06Å; T169-E173 PolarHBondContact N-O 3.23Å; T169-E173 PolarHBondContact OG1-N 2.87Å; E173-R175 IonicContact OE1-CZ 3.11Å; E173-R175 IonicContact OE1-NE 3.93Å; E173-R175 PolarHBondContact OE1-NE 3.46Å; E173-R175 IonicContact OE1-NH2 2.88Å; E173-R175 IonicContact OE2-CZ 3.97Å; E173-R175 IonicContact OE2-NE 3.87Å; E173-R175 PolarHBondContact OE2-NE 3.1Å; E173-R175 IonicContact OE2-NH2 2.59Å; E173-R175 PolarHBondContact OE2-NH2 2.87Å
174	L	97.7	Very high	97.6	Very high	90 Å²	90	48 Å²	48	47%	0.471	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	118.5	174.9	-175	70.6	0	0	0	109.7	R168	R168-L174 HydrophobicContact CG-CD1 4.3Å
175	R	97.9	Very high	97.6	Very high	74 Å²	74	46.2 Å²	46.2	28%	0.279	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	148.4	173.4	-68.4	-72.2	177.4	81.2	11.4	110.2	T166 Y167 T169 E173 D253	T166-R175 WeakPolarHBondContact CA-O 3.27Å; T166-R175 WeakPolarHBondContact CB-O 3.34Å; Y167-R175 HydrophobicContact CD1-CB 3.87Å; Y167-R175 HydrophobicContact CD2-CB 4.31Å; Y167-R175 HydrophobicContact CE1-CB 3.39Å; Y167-R175 HydrophobicContact CE1-CG 4.25Å; Y167-R175 HydrophobicContact CE2-CB 3.88Å; Y167-R175 HydrophobicContact CE2-CG 4.01Å; Y167-R175 HydrophobicContact CG-CB 4.3Å; Y167-R175 VanDerWaalsContact CZ-CB 3.4Å; Y167-R175 PolarHBondContact N-O 3.15Å; Y167-R175 PolarHBondContact O-N 3.28Å; T169-R175 HydrophobicContact CG2-CG 4.03Å; E173-R175 IonicContact OE1-CZ 3.11Å; E173-R175 IonicContact OE1-NE 3.93Å; E173-R175 PolarHBondContact OE1-NE 3.46Å; E173-R175 IonicContact OE1-NH2 2.88Å; E173-R175 IonicContact OE2-CZ 3.97Å; E173-R175 IonicContact OE2-NE 3.87Å; E173-R175 PolarHBondContact OE2-NE 3.1Å; E173-R175 IonicContact OE2-NH2 2.59Å; E173-R175 PolarHBondContact OE2-NH2 2.87Å; R175-D253 IonicContact CZ-OD2 3.84Å; R175-D253 IonicContact NH1-OD2 3.65Å; R175-D253 PolarHBondContact NH1-OD2 2.86Å
176	I	98.4	Very high	97.6	Very high	52 Å²	52	46.5 Å²	46.5	27%	0.267	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.1	-179.3	-57	179.3	0	0	0	107.8	L71 L74 K164 T166	L71-I176 HydrophobicContact CB-CG2 4.47Å; L71-I176 WeakPolarHBondContact CD2-O 3.36Å; L71-I176 HydrophobicContact CG-CG2 4.5Å; L74-I176 HydrophobicContact CD2-CD1 4.45Å; L74-I176 HydrophobicContact CD2-CG2 4.27Å; K164-I176 HydrophobicContact CD-CG2 4.13Å; K164-I176 HydrophobicContact CG-CG2 3.66Å; T166-I176 HydrophobicContact CG2-CG1 4.18Å
177	L	98.6	Very high	97.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	164.2	166	65.6	118.9	0	0	0	109.8	S165 Y167 I250 I251 F254 I311 P312	S165-L177 PolarHBondContact N-O 3.25Å; S165-L177 PolarHBondContact O-N 3.07Å; S165-L177 VanDerWaalsContact O-O 3.09Å; Y167-L177 HydrophobicContact CD1-CD2 3.92Å; Y167-L177 HydrophobicContact CE1-CD2 4.27Å; L177-I250 HydrophobicContact CD1-CG2 4.39Å; L177-I251 WeakPolarHBondContact CA-O 3.45Å; L177-I251 WeakPolarHBondContact CB-O 3.41Å; L177-F254 HydrophobicContact CD1-CZ 4.11Å; L177-F254 HydrophobicContact CD2-CE1 3.95Å; L177-F254 HydrophobicContact CD2-CZ 4Å; L177-I311 HydrophobicContact CD1-CG2 4.37Å; L177-P312 HydrophobicContact CD2-CG 4.05Å
178	A	98.7	Very high	97.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.9	171	0	0	0	0	0	109.5	L71 L155 F162 Y163 I250 I251	L71-A178 HydrophobicContact CD1-CB 4.3Å; L71-A178 HydrophobicContact CG-CB 4.48Å; L155-A178 HydrophobicContact CD1-CB 3.95Å; L155-A178 HydrophobicContact CD2-CB 4.08Å; F162-A178 HydrophobicContact CD2-CB 4.38Å; F162-A178 HydrophobicContact CE2-CB 3.49Å; F162-A178 VanDerWaalsContact CE2-CB 3.49Å; F162-A178 HydrophobicContact CZ-CB 3.72Å; Y163-A178 CarbonylContact O-C 3.57Å; Y163-A178 VanDerWaalsContact O-CA 3.3Å; Y163-A178 WeakPolarHBondContact O-CA 3.36Å; A178-I250 CarbonylContact O-C 3.44Å; A178-I250 WeakPolarHBondContact O-CA 3.5Å; A178-I251 PolarHBondContact N-O 3.08Å; A178-I251 PolarHBondContact O-N 3.21Å
179	S	98.6	Very high	97.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	167.4	-177	-167.1	0	0	0	0	110.7	F162 Y163	F162-S179 WeakPolarHBondContact CD2-O 3.28Å; Y163-S179 WeakPolarHBondContact CD1-O 3.31Å; Y163-S179 PolarHBondContact N-O 2.95Å; Y163-S179 PolarHBondContact O-N 2.87Å
180	T	98.6	Very high	97.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135.8	-179.1	50.4	0	0	0	0	111.4	G161 F162 F182 A248 F249	G161-T180 VanDerWaalsContact O-CA 3.32Å; G161-T180 WeakPolarHBondContact O-CA 3.5Å; F162-T180 HydrophobicContact CB-CG2 4.33Å; F162-T180 HydrophobicContact CD2-CG2 3.7Å; F162-T180 HydrophobicContact CE2-CG2 4.42Å; F162-T180 HydrophobicContact CG-CG2 4.33Å; T180-F182 HydrophobicContact CG2-CE1 3.8Å; T180-F182 HydrophobicContact CG2-CE2 4.16Å; T180-F182 HydrophobicContact CG2-CZ 3.4Å; T180-F182 VanDerWaalsContact CG2-CZ 3.4Å; T180-A248 VanDerWaalsContact OG1-CA 3.28Å; T180-A248 WeakPolarHBondContact OG1-CA 3.46Å; T180-F249 HydrophobicContact CG2-CD1 4.26Å; T180-F249 HydrophobicContact CG2-CD2 3.7Å; T180-F249 HydrophobicContact CG2-CE1 4.09Å; T180-F249 HydrophobicContact CG2-CE2 3.5Å; T180-F249 HydrophobicContact CG2-CG 4.09Å; T180-F249 HydrophobicContact CG2-CZ 3.71Å; T180-F249 WeakPolarHBondContact CG2-O 3.38Å; T180-F249 PolarHBondContact OG1-N 2.9Å; T180-F249 PolarHBondContact OG1-O 3.44Å
181	Q	98.3	Very high	98.1	Very high	16 Å²	16	29.2 Å²	29.2	8%	0.075	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	109	166.6	170.8	61.5	21.2	0	0	107.8	F159 H160 G161 Y163 M319	F159-Q181 WeakPolarHBondContact O-CB 3.44Å; H160-Q181 WeakPolarHBondContact CA-O 3.12Å; G161-Q181 PolarHBondContact N-O 2.86Å; G161-Q181 PolarHBondContact O-N 3.22Å; Y163-Q181 HydrophobicContact CE1-CB 3.96Å; Q181-M319 PolarHBondContact NE2-SD 3.35Å
182	F	98.7	Very high	98.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.114	C	C	.	.			trans	-109.1	-22.2	-170	-66.1	-21.8	0	0	0	114.8	G161 T180 P184 T185 A186 A187 A190 F191 V247 F249	G161-F182 WeakPolarHBondContact O-CE1 3.39Å; T180-F182 HydrophobicContact CG2-CE1 3.8Å; T180-F182 HydrophobicContact CG2-CE2 4.16Å; T180-F182 HydrophobicContact CG2-CZ 3.4Å; T180-F182 VanDerWaalsContact CG2-CZ 3.4Å; F182-P184 CarbonylContact O-C 3.41Å; F182-P184 VanDerWaalsContact O-C 3.28Å; F182-T185 PolarHBondContact O-N 3.48Å; F182-T185 VanDerWaalsContact O-N 3.16Å; F182-A186 WeakPolarHBondContact CD1-O 3.46Å; F182-A186 PolarHBondContact O-N 3.07Å; F182-A187 HydrophobicContact CB-CB 3.96Å; F182-A187 HydrophobicContact CD1-CB 4.4Å; F182-A187 HydrophobicContact CD2-CB 3.75Å; F182-A187 HydrophobicContact CE2-CB 4.37Å; F182-A187 HydrophobicContact CG-CB 3.79Å; F182-A190 HydrophobicContact CE1-CB 3.51Å; F182-A190 HydrophobicContact CZ-CB 3.41Å; F182-A190 VanDerWaalsContact CZ-CB 3.41Å; F182-F191 HydrophobicContact CD2-CE1 4.48Å; F182-F191 AromaticContact CE2-CE1 3.79Å; F182-F191 HydrophobicContact CE2-CE1 3.79Å; F182-F191 HydrophobicContact CZ-CE1 4.24Å; F182-V247 HydrophobicContact CD2-CB 4.11Å; F182-V247 WeakPolarHBondContact CD2-O 3.32Å; F182-V247 HydrophobicContact CE2-CB 3.97Å; F182-V247 HydrophobicContact CE2-CG1 4.01Å; F182-V247 WeakPolarHBondContact CE2-O 3.34Å; F182-F249 HydrophobicContact CE2-CE1 4.42Å; F182-F249 HydrophobicContact CZ-CE1 4.24Å; F182-F249 HydrophobicContact CZ-CZ 4.2Å
183	E	98.1	Very high	98.4	Very high	20 Å²	20	20 Å²	20	9%	0.093	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	134.6	177.5	-161.2	177.3	-145.7	0	0	111.3	Y245 M319 W369 F433	E183-Y245 HydrophobicContact CB-CD2 3.83Å; E183-Y245 HydrophobicContact CG-CD2 3.75Å; E183-Y245 HydrophobicContact CG-CE2 4.17Å; E183-Y245 HydrophobicContact CG-CG 4.38Å; E183-Y245 WeakPolarHBondContact OE1-CE2 3.49Å; E183-M319 HydrophobicContact CB-CE 3.68Å; E183-M319 HydrophobicContact CB-SD 3.52Å; E183-M319 VanDerWaalsContact CB-SD 3.52Å; E183-M319 HydrophobicContact CG-CE 4.41Å; E183-M319 HydrophobicContact CG-SD 4.5Å; E183-W369 HydrophobicContact CG-CH2 3.8Å; E183-W369 HydrophobicContact CG-CZ3 3.97Å; E183-W369 WeakPolarHBondContact OE1-CZ3 3.3Å; E183-F433 HydrophobicContact CG-CE1 4.21Å; E183-F433 HydrophobicContact CG-CZ 3.79Å
184	P	97.5	Very high	98.5	Very high	13 Å²	13	15.4 Å²	15.4	8%	0.084	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88.3	-31.1	-2.9	31	-33.5	0	0	0	115.2	F182 W369 I429 R430 F433	F182-P184 CarbonylContact O-C 3.41Å; F182-P184 VanDerWaalsContact O-C 3.28Å; P184-W369 HydrophobicContact CB-CD2 4.15Å; P184-W369 HydrophobicContact CB-CE3 4.03Å; P184-W369 HydrophobicContact CB-CH2 3.66Å; P184-W369 HydrophobicContact CB-CZ2 3.71Å; P184-W369 HydrophobicContact CB-CZ3 3.78Å; P184-W369 WeakPolarHBondContact O-CZ2 3.28Å; P184-I429 HydrophobicContact CB-CG2 3.49Å; P184-I429 VanDerWaalsContact CB-CG2 3.49Å; P184-I429 HydrophobicContact CG-CG2 3.66Å; P184-R430 HydrophobicContact CG-CG 3.9Å; P184-F433 HydrophobicContact CB-CE2 3.99Å; P184-F433 HydrophobicContact CB-CZ 4.2Å; P184-F433 HydrophobicContact CG-CE2 4.08Å
185	T	98.4	Very high	98.5	Very high	10 Å²	10	11.2 Å²	11.2	6%	0.061	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.2	32.9	-166.2	66.5	0	0	0	0	113.5	F182 R188 I429	F182-T185 PolarHBondContact O-N 3.48Å; F182-T185 VanDerWaalsContact O-N 3.16Å; T185-R188 WeakPolarHBondContact O-CD 3.22Å; T185-R188 VanDerWaalsContact O-CG 3.29Å; T185-R188 WeakPolarHBondContact O-CG 3.23Å; T185-R188 PolarHBondContact O-NE 2.96Å; T185-R188 VanDerWaalsContact O-NE 3.1Å; T185-I429 HydrophobicContact CG2-CD1 4.02Å
186	A	98.6	Very high	98.6	Very high	6 Å²	6	7.8 Å²	7.8	5%	0.05	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-0.6	-173.8	0	0	0	0	0	114.4	H160 F182 R188 M189	H160-A186 HydrophobicContact CB-CB 4.14Å; F182-A186 WeakPolarHBondContact CD1-O 3.46Å; F182-A186 PolarHBondContact O-N 3.07Å; A186-R188 PolarHBondContact O-N 3.05Å; A186-M189 HydrophobicContact CB-SD 4.08Å; A186-M189 WeakPolarHBondContact O-CB 3.36Å; A186-M189 PolarHBondContact O-N 2.66Å
187	A	98.8	Very high	98.6	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.028	C	C	.	.	G	3₁₀ helix	trans	-60.6	-37.1	171.8	0	0	0	0	0	111.2	F182 M189 A190 F191 D195	F182-A187 HydrophobicContact CB-CB 3.96Å; F182-A187 HydrophobicContact CD1-CB 4.4Å; F182-A187 HydrophobicContact CD2-CB 3.75Å; F182-A187 HydrophobicContact CE2-CB 4.37Å; F182-A187 HydrophobicContact CG-CB 3.79Å; A187-M189 PolarHBondContact O-N 2.91Å; A187-A190 PolarHBondContact O-N 2.98Å; A187-F191 HydrophobicContact CB-CE1 4.14Å; A187-F191 HydrophobicContact CB-CZ 4Å; A187-F191 PolarHBondContact O-N 3.48Å; A187-D195 WeakPolarHBondContact CB-OD1 3.19Å
188	R	98.7	Very high	98.6	Very high	11 Å²	11	7.2 Å²	7.2	4%	0.042	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	-56.2	-14	172.2	68	-172	67.3	-173.3	-4.6	115.4	H96 H98 E129 T185 A186 F191 D195	H96-R188 HydrophobicContact CB-CB 3.63Å; H96-R188 HydrophobicContact CB-CG 4.43Å; H96-R188 PolarHBondContact CD2-NH1 3.28Å; H96-R188 PolarHBondContact CE1-NH2 2.9Å; H96-R188 VanDerWaalsContact CE1-NH2 3.33Å; H96-R188 VanDerWaalsContact CG-CZ 3.44Å; H96-R188 PolarHBondContact ND1-NH2 2.77Å; H96-R188 PolarHBondContact NE2-NH2 2.68Å; H98-R188 HydrophobicContact CB-CG 4.09Å; H98-R188 PolarHBondContact N-O 2.84Å; E129-R188 WeakPolarHBondContact OE2-CD 3.47Å; E129-R188 IonicContact OE2-CZ 3.67Å; E129-R188 IonicContact OE2-NE 2.67Å; E129-R188 IonicContact OE2-NH1 3.73Å; E129-R188 PolarHBondContact OE2-NH1 3.41Å; T185-R188 WeakPolarHBondContact O-CD 3.22Å; T185-R188 VanDerWaalsContact O-CG 3.29Å; T185-R188 WeakPolarHBondContact O-CG 3.23Å; T185-R188 PolarHBondContact O-NE 2.96Å; T185-R188 VanDerWaalsContact O-NE 3.1Å; A186-R188 PolarHBondContact O-N 3.05Å; R188-F191 WeakPolarHBondContact CA-O 3.35Å; R188-D195 HydrophobicContact CB-CB 4.15Å; R188-D195 WeakPolarHBondContact CB-OD2 3.2Å; R188-D195 WeakPolarHBondContact CG-OD2 3.47Å; R188-D195 IonicContact CZ-OD2 3.81Å; R188-D195 PolarHBondContact N-OD2 2.9Å; R188-D195 IonicContact NE-OD2 3.47Å; R188-D195 PolarHBondContact NE-OD2 2.87Å; R188-D195 PolarHBondContact NH2-O 2.83Å; R188-D195 IonicContact NH2-OD2 3.77Å
189	M	98.7	Very high	98.6	Very high	28 Å²	28	8 Å²	8	14%	0.138	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-90.9	-11.8	175.4	-61.4	176.1	64.3	0	0	113.5	H98 L100 H160 A186 A187	H98-M189 HydrophobicContact CB-CG 3.97Å; H98-M189 WeakPolarHBondContact O-CA 3.45Å; L100-M189 WeakPolarHBondContact CD2-O 3.21Å; H160-M189 VanDerWaalsContact CD2-SD 3.56Å; A186-M189 HydrophobicContact CB-SD 4.08Å; A186-M189 WeakPolarHBondContact O-CB 3.36Å; A186-M189 PolarHBondContact O-N 2.66Å; A187-M189 PolarHBondContact O-N 2.91Å
190	A	98.8	Very high	98.6	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-32.3	178.2	0	0	0	0	0	112.1	Y151 F162 F182 A187 F249	Y151-A190 WeakPolarHBondContact CE2-O 3.49Å; Y151-A190 PolarHBondContact OH-O 3.03Å; Y151-A190 VanDerWaalsContact OH-O 3.09Å; F162-A190 HydrophobicContact CB-CB 3.83Å; F182-A190 HydrophobicContact CE1-CB 3.51Å; F182-A190 HydrophobicContact CZ-CB 3.41Å; F182-A190 VanDerWaalsContact CZ-CB 3.41Å; A187-A190 PolarHBondContact O-N 2.98Å; A190-F249 HydrophobicContact CB-CZ 4.36Å
191	F	98.9	Very high	98.6	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.049	C	C	.	.	S	Bend	trans	-153.9	143.3	174.7	58.2	-84.5	0	0	0	111.3	L65 Y151 F182 A187 R188 C193 F203 V247	L65-F191 HydrophobicContact CD1-CD1 4.05Å; L65-F191 HydrophobicContact CD1-CD2 4.12Å; L65-F191 HydrophobicContact CD1-CE1 3.96Å; L65-F191 HydrophobicContact CD1-CE2 4.02Å; L65-F191 HydrophobicContact CD1-CG 4.15Å; L65-F191 HydrophobicContact CD1-CZ 3.95Å; L65-F191 HydrophobicContact CD2-CB 4.34Å; L65-F191 HydrophobicContact CD2-CD2 3.84Å; L65-F191 HydrophobicContact CD2-CE2 4.34Å; L65-F191 HydrophobicContact CD2-CG 4.09Å; Y151-F191 HydrophobicContact CE1-CB 4.49Å; Y151-F191 WeakPolarHBondContact OH-CA 3.34Å; Y151-F191 WeakPolarHBondContact OH-CB 3.32Å; F182-F191 HydrophobicContact CD2-CE1 4.48Å; F182-F191 AromaticContact CE2-CE1 3.79Å; F182-F191 HydrophobicContact CE2-CE1 3.79Å; F182-F191 HydrophobicContact CZ-CE1 4.24Å; A187-F191 HydrophobicContact CB-CE1 4.14Å; A187-F191 HydrophobicContact CB-CZ 4Å; A187-F191 PolarHBondContact O-N 3.48Å; R188-F191 WeakPolarHBondContact CA-O 3.35Å; F191-C193 HydrophobicContact CD2-CB 3.64Å; F191-C193 HydrophobicContact CE2-CB 3.48Å; F191-C193 VanDerWaalsContact CE2-CB 3.48Å; F191-C193 VanDerWaalsContact CE2-SG 3.57Å; F191-C193 PolarHBondContact O-N 3.3Å; F191-C193 PolarHBondContact O-SG 2.8Å; F191-C193 VanDerWaalsContact O-SG 3.34Å; F191-F203 HydrophobicContact CE2-CE1 4.27Å; F191-F203 HydrophobicContact CZ-CE1 4.39Å; F191-V247 HydrophobicContact CE1-CB 4.3Å; F191-V247 HydrophobicContact CE1-CG1 4Å; F191-V247 HydrophobicContact CZ-CB 4.21Å; F191-V247 HydrophobicContact CZ-CG1 4.24Å; F191-V247 HydrophobicContact CZ-CG2 4.09Å
192	P	98.8	Very high	98.6	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.006	5%	0.053	C	C	.	.			trans	-65.1	126.2	174.7	-19.2	33	0	0	0	110.5	L95 H96 L100 I102 I131 I149 Y151	L95-P192 HydrophobicContact CD1-CB 3.57Å; H96-P192 CarbonylContact O-C 3.51Å; H96-P192 VanDerWaalsContact O-CA 3.3Å; H96-P192 WeakPolarHBondContact O-CA 3.44Å; L100-P192 HydrophobicContact CD1-CG 3.99Å; I102-P192 HydrophobicContact CD1-CG 3.74Å; I131-P192 HydrophobicContact CD1-CB 4.33Å; I149-P192 HydrophobicContact CD1-CB 3.94Å; I149-P192 HydrophobicContact CD1-CG 4.43Å; I149-P192 HydrophobicContact CG2-CG 4.14Å; Y151-P192 HydrophobicContact CD1-CG 4.1Å; Y151-P192 VanDerWaalsContact CE1-CD 3.5Å; Y151-P192 HydrophobicContact CE1-CG 4.41Å; Y151-P192 HydrophobicContact CG-CG 4.39Å
193	C	98.9	Very high	98.6	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.007	5%	0.053	C	C	.	.	B	Isolated β-bridge	trans	-157.2	167.5	-175	55	0	0	0	0	114.1	Y63 H96 F191 D195 T244	Y63-C193 HydrophobicContact CE1-CB 3.82Å; H96-C193 WeakPolarHBondContact CA-O 3.31Å; H96-C193 WeakPolarHBondContact CB-O 3.46Å; H96-C193 PolarHBondContact N-O 2.87Å; H96-C193 PolarHBondContact O-N 3Å; F191-C193 HydrophobicContact CD2-CB 3.64Å; F191-C193 HydrophobicContact CE2-CB 3.48Å; F191-C193 VanDerWaalsContact CE2-CB 3.48Å; F191-C193 VanDerWaalsContact CE2-SG 3.57Å; F191-C193 PolarHBondContact O-N 3.3Å; F191-C193 PolarHBondContact O-SG 2.8Å; F191-C193 VanDerWaalsContact O-SG 3.34Å; C193-D195 PolarHBondContact O-N 3.38Å; C193-T244 HydrophobicContact CB-CG2 4.08Å
194	F	98.9	Very high	98.7	Very high	1 Å²	1	9.1 Å²	9.1	0%	0.004	6%	0.058	C	C	.	.			trans	-77.5	73.8	169.8	-63.4	-98.2	0	0	0	109.5	L54 V58 P60 Y63 V82 I84 I93 I94 L95 E196 F199	L54-F194 HydrophobicContact CD1-CB 4.01Å; L54-F194 HydrophobicContact CD1-CD1 3.91Å; L54-F194 HydrophobicContact CD1-CG 4.36Å; V58-F194 HydrophobicContact CB-CE1 4.14Å; V58-F194 HydrophobicContact CB-CZ 4.35Å; V58-F194 HydrophobicContact CG1-CE1 4.02Å; V58-F194 HydrophobicContact CG1-CZ 3.71Å; V58-F194 WeakPolarHBondContact O-CE1 3.28Å; P60-F194 HydrophobicContact CB-CD2 3.8Å; P60-F194 HydrophobicContact CB-CE2 4.21Å; P60-F194 HydrophobicContact CB-CG 4.44Å; P60-F194 HydrophobicContact CG-CB 3.97Å; P60-F194 HydrophobicContact CG-CD2 3.83Å; P60-F194 HydrophobicContact CG-CG 3.97Å; Y63-F194 WeakPolarHBondContact OH-CD2 3.18Å; Y63-F194 PolarHBondContact OH-N 2.83Å; Y63-F194 VanDerWaalsContact OH-N 3.08Å; V82-F194 HydrophobicContact CG2-CE2 4.48Å; I84-F194 HydrophobicContact CG2-CE2 3.86Å; I84-F194 HydrophobicContact CG2-CZ 4.18Å; I93-F194 HydrophobicContact CG2-CZ 3.9Å; I94-F194 WeakPolarHBondContact O-CE1 3.23Å; L95-F194 HydrophobicContact CB-CD1 4.45Å; L95-F194 HydrophobicContact CB-CD2 4.45Å; L95-F194 HydrophobicContact CB-CE1 4.4Å; L95-F194 HydrophobicContact CB-CE2 4.43Å; L95-F194 HydrophobicContact CB-CG 4.47Å; L95-F194 HydrophobicContact CB-CZ 4.39Å; L95-F194 HydrophobicContact CD2-CE2 4.36Å; F194-E196 PolarHBondContact O-N 3.5Å; F194-F199 HydrophobicContact CB-CB 3.9Å; F194-F199 HydrophobicContact CB-CD2 4Å; F194-F199 HydrophobicContact CB-CG 3.91Å
195	D	98.8	Very high	98.7	Very high	2 Å²	2	8.7 Å²	8.7	1%	0.011	5%	0.054	C	C	.	.			trans	-79.7	60.7	-167	-161.3	23.8	0	0	0	114.3	H96 A187 R188 C193 T244	H96-D195 HydrophobicContact CB-CB 3.81Å; H96-D195 PolarHBondContact ND1-N 2.87Å; A187-D195 WeakPolarHBondContact CB-OD1 3.19Å; R188-D195 HydrophobicContact CB-CB 4.15Å; R188-D195 WeakPolarHBondContact CB-OD2 3.2Å; R188-D195 WeakPolarHBondContact CG-OD2 3.47Å; R188-D195 IonicContact CZ-OD2 3.81Å; R188-D195 PolarHBondContact N-OD2 2.9Å; R188-D195 IonicContact NE-OD2 3.47Å; R188-D195 PolarHBondContact NE-OD2 2.87Å; R188-D195 PolarHBondContact NH2-O 2.83Å; R188-D195 IonicContact NH2-OD2 3.77Å; C193-D195 PolarHBondContact O-N 3.38Å; D195-T244 WeakPolarHBondContact OD1-CB 3.2Å; D195-T244 PolarHBondContact OD1-OG1 3Å
196	E	98.8	Very high	98.8	Very high	3 Å²	3	10.6 Å²	10.6	1%	0.014	6%	0.062	C	C	.	.	S	Bend	trans	-133.2	144.3	168.8	-48.3	-175.8	176.9	0	0	109.3	R53 L54 H96 F194 A198 F199 W368	R53-E196 WeakPolarHBondContact CA-OE1 3.36Å; R53-E196 IonicContact CZ-OE2 3.47Å; R53-E196 VanDerWaalsContact CZ-OE2 3.28Å; R53-E196 IonicContact NE-OE1 2.8Å; R53-E196 PolarHBondContact NE-OE1 3.16Å; R53-E196 IonicContact NE-OE2 3.6Å; R53-E196 PolarHBondContact NE-OE2 2.87Å; R53-E196 IonicContact NH2-OE2 2.64Å; R53-E196 PolarHBondContact NH2-OE2 3.29Å; L54-E196 HydrophobicContact CD1-CG 4.36Å; L54-E196 HydrophobicContact CG-CG 4.48Å; L54-E196 PolarHBondContact N-OE1 3.25Å; H96-E196 IonicContact CE1-OE1 2.79Å; F194-E196 PolarHBondContact O-N 3.5Å; E196-A198 PolarHBondContact O-N 2.93Å; E196-A198 VanDerWaalsContact O-N 3.1Å; E196-F199 HydrophobicContact CB-CD2 3.81Å; E196-F199 HydrophobicContact CB-CE2 4.16Å; E196-F199 HydrophobicContact CG-CD2 4.24Å; E196-F199 HydrophobicContact CG-CE2 4.22Å; E196-F199 PolarHBondContact O-N 2.85Å; E196-W368 HydrophobicContact CB-CE3 4.47Å; E196-W368 HydrophobicContact CB-CZ3 3.95Å; E196-W368 HydrophobicContact CG-CZ3 3.95Å
197	P	98.6	Very high	98.8	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.006	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-25.4	-168	22.5	-33.5	0	0	0	114.6	F199 S243 Y245 T365 W368 W369 N472	P197-F199 VanDerWaalsContact C-N 3.33Å; P197-F199 PolarHBondContact O-N 2.95Å; P197-S243 PolarHBondContact O-OG 2.88Å; P197-Y245 HydrophobicContact CB-CD1 4.44Å; P197-Y245 HydrophobicContact CB-CE1 4.28Å; P197-T365 HydrophobicContact CB-CG2 4.02Å; P197-W368 HydrophobicContact CG-CE3 4.46Å; P197-W369 HydrophobicContact CG-CZ2 4.15Å; P197-N472 PolarHBondContact O-ND2 3.47Å
198	A	98.3	Very high	98.8	Very high	38 Å²	38	13.8 Å²	13.8	31%	0.314	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-23.3	177.1	0	0	0	0	0	114.3	E196 K200 E367	E196-A198 PolarHBondContact O-N 2.93Å; E196-A198 VanDerWaalsContact O-N 3.1Å; A198-K200 PolarHBondContact O-N 2.96Å; A198-E367 HydrophobicContact CB-CG 4.18Å
199	F	98.7	Very high	98.8	Very high	16 Å²	16	14.4 Å²	14.4	7%	0.07	8%	0.075	C	C	.	.			trans	-82.4	57.6	180	-67.5	-67.9	0	0	0	111.9	L54 P60 F194 E196 P197 A201	L54-F199 HydrophobicContact CB-CE2 4.07Å; L54-F199 HydrophobicContact CB-CZ 4.38Å; L54-F199 HydrophobicContact CD1-CD2 4.45Å; L54-F199 HydrophobicContact CD1-CE2 4.15Å; P60-F199 HydrophobicContact CG-CB 3.88Å; P60-F199 HydrophobicContact CG-CD1 4.37Å; P60-F199 HydrophobicContact CG-CG 4.47Å; F194-F199 HydrophobicContact CB-CB 3.9Å; F194-F199 HydrophobicContact CB-CD2 4Å; F194-F199 HydrophobicContact CB-CG 3.91Å; E196-F199 HydrophobicContact CB-CD2 3.81Å; E196-F199 HydrophobicContact CB-CE2 4.16Å; E196-F199 HydrophobicContact CG-CD2 4.24Å; E196-F199 HydrophobicContact CG-CE2 4.22Å; E196-F199 PolarHBondContact O-N 2.85Å; P197-F199 VanDerWaalsContact C-N 3.33Å; P197-F199 PolarHBondContact O-N 2.95Å; F199-A201 PolarHBondContact O-N 2.62Å
200	K	98.8	Very high	98.7	Very high	10 Å²	10	15.8 Å²	15.8	4%	0.043	8%	0.081	C	C	.	.			trans	-64.2	131.7	178	-69.6	-163.8	174	-168.3	0	111.9	A198 M242 S243 N362 L363 T365 K471	A198-K200 PolarHBondContact O-N 2.96Å; K200-M242 VanDerWaalsContact CA-O 3.25Å; K200-M242 WeakPolarHBondContact CA-O 3.12Å; K200-S243 WeakPolarHBondContact CE-OG 3.42Å; K200-N362 PolarHBondContact NZ-O 3.27Å; K200-L363 PolarHBondContact NZ-O 2.86Å; K200-T365 WeakPolarHBondContact CE-OG1 3.29Å; K200-T365 PolarHBondContact NZ-OG1 2.96Å; K200-K471 WeakPolarHBondContact CE-O 3.38Å; K200-K471 PolarHBondContact NZ-O 3.07Å
201	A	98.8	Very high	98.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-139.8	171.3	177	0	0	0	0	0	110.8	P60 V61 Y63 F199 F203 K241 M242	P60-A201 HydrophobicContact CB-CB 4.45Å; V61-A201 WeakPolarHBondContact O-CB 3.18Å; Y63-A201 HydrophobicContact CD2-CB 3.57Å; Y63-A201 HydrophobicContact CE2-CB 3.52Å; F199-A201 PolarHBondContact O-N 2.62Å; A201-F203 HydrophobicContact CB-CE2 4.29Å; A201-F203 HydrophobicContact CB-CZ 4.33Å; A201-F203 WeakPolarHBondContact O-CD2 3.21Å; A201-F203 VanDerWaalsContact O-CE2 3.25Å; A201-F203 WeakPolarHBondContact O-CE2 3.35Å; A201-K241 WeakPolarHBondContact O-CA 3.48Å; A201-M242 PolarHBondContact N-O 2.91Å; A201-M242 PolarHBondContact O-N 3.45Å
202	S	98.8	Very high	98.6	Very high	25 Å²	25	26.4 Å²	26.4	18%	0.175	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	151.6	167.8	52.9	0	0	0	0	110.4	V61 H62 Y63 T239	V61-S202 PolarHBondContact O-N 2.69Å; V61-S202 VanDerWaalsContact O-N 3.15Å; V61-S202 PolarHBondContact O-OG 3.35Å; H62-S202 CarbonylContact C-O 3.53Å; H62-S202 WeakPolarHBondContact CA-O 3.5Å; H62-S202 PolarHBondContact ND1-O 2.58Å; H62-S202 PolarHBondContact ND1-OG 2.84Å; Y63-S202 PolarHBondContact N-O 3.05Å; S202-T239 WeakPolarHBondContact CB-O 3.39Å
203	F	98.9	Very high	98.6	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	123.3	-175.1	-60.7	-97.6	0	0	0	110.7	Y63 L65 F191 A201 I205 T239 M242 T244 V247	Y63-F203 HydrophobicContact CD1-CE1 4.41Å; Y63-F203 AromaticContact CD2-CD1 3.87Å; Y63-F203 HydrophobicContact CD2-CD1 3.87Å; Y63-F203 AromaticContact CD2-CE1 3.35Å; Y63-F203 HydrophobicContact CD2-CE1 3.35Å; Y63-F203 AromaticContact CD2-CZ 3.76Å; Y63-F203 HydrophobicContact CD2-CZ 3.76Å; Y63-F203 AromaticContact CE2-CE1 3.87Å; Y63-F203 HydrophobicContact CE2-CE1 3.87Å; Y63-F203 AromaticContact CE2-CZ 3.99Å; Y63-F203 HydrophobicContact CE2-CZ 3.99Å; Y63-F203 AromaticContact CG-CD1 3.89Å; Y63-F203 HydrophobicContact CG-CD1 3.89Å; Y63-F203 AromaticContact CG-CE1 3.66Å; Y63-F203 HydrophobicContact CG-CE1 3.66Å; Y63-F203 HydrophobicContact CG-CZ 4.5Å; Y63-F203 CarbonylContact O-C 3.58Å; Y63-F203 WeakPolarHBondContact O-CA 3.47Å; L65-F203 HydrophobicContact CD1-CD1 3.98Å; F191-F203 HydrophobicContact CE2-CE1 4.27Å; F191-F203 HydrophobicContact CZ-CE1 4.39Å; A201-F203 HydrophobicContact CB-CE2 4.29Å; A201-F203 HydrophobicContact CB-CZ 4.33Å; A201-F203 WeakPolarHBondContact O-CD2 3.21Å; A201-F203 VanDerWaalsContact O-CE2 3.25Å; A201-F203 WeakPolarHBondContact O-CE2 3.35Å; F203-I205 HydrophobicContact CB-CD1 4.45Å; F203-I205 HydrophobicContact CB-CG1 4.32Å; F203-T239 HydrophobicContact CB-CG2 4.04Å; F203-T239 PolarHBondContact N-OG1 3.38Å; F203-T239 WeakPolarHBondContact O-CG2 3.25Å; F203-T239 PolarHBondContact O-N 2.8Å; F203-M242 HydrophobicContact CD2-CE 3.72Å; F203-M242 HydrophobicContact CD2-CG 3.91Å; F203-M242 HydrophobicContact CE2-CE 4.24Å; F203-M242 HydrophobicContact CE2-CG 3.86Å; F203-M242 HydrophobicContact CG-CE 4.28Å; F203-T244 HydrophobicContact CE1-CG2 4.47Å; F203-T244 HydrophobicContact CZ-CG2 4.07Å; F203-V247 HydrophobicContact CD1-CG2 3.64Å; F203-V247 HydrophobicContact CD2-CG2 4.06Å; F203-V247 HydrophobicContact CE1-CG2 3.62Å; F203-V247 HydrophobicContact CE2-CG2 4.03Å; F203-V247 HydrophobicContact CG-CG2 3.88Å; F203-V247 HydrophobicContact CZ-CG2 3.83Å
204	S	98.9	Very high	98.5	Very high	26 Å²	26	29.4 Å²	29.4	18%	0.182	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	108.8	167.4	-67.9	0	0	0	0	108.5	H62 Y63 D64 L65	H62-S204 PolarHBondContact CE1-OG 2.99Å; H62-S204 PolarHBondContact NE2-OG 2.87Å; H62-S204 VanDerWaalsContact NE2-OG 3.12Å; Y63-S204 PolarHBondContact O-N 3.11Å; D64-S204 WeakPolarHBondContact CA-O 3.29Å; L65-S204 PolarHBondContact N-O 2.75Å
205	I	98.9	Very high	98.5	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.015	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	134.6	-173.3	-60.1	167.3	0	0	0	109.8	L65 F203 I207 S217 F236 V247 F249	L65-I205 HydrophobicContact CB-CG1 4.45Å; L65-I205 HydrophobicContact CD1-CG1 4.39Å; L65-I205 CarbonylContact O-C 3.52Å; F203-I205 HydrophobicContact CB-CD1 4.45Å; F203-I205 HydrophobicContact CB-CG1 4.32Å; I205-I207 HydrophobicContact CG2-CD1 3.81Å; I205-I207 HydrophobicContact CG2-CG1 4.07Å; I205-S217 WeakPolarHBondContact CD1-OG 3.17Å; I205-F236 HydrophobicContact CB-CD2 4.4Å; I205-F236 HydrophobicContact CG2-CD2 4.24Å; I205-F236 WeakPolarHBondContact O-CD2 3.3Å; I205-F236 PolarHBondContact O-N 2.95Å; I205-V247 HydrophobicContact CD1-CG1 3.92Å; I205-F249 HydrophobicContact CG2-CD1 4.46Å
206	K	98.9	Very high	98.5	Very high	50 Å²	50	29.8 Å²	29.8	22%	0.217	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.6	173.2	-67.1	178.1	-68.6	-179.7	0	110.3	L65 L66 I67 E233 D234 H235	L65-K206 PolarHBondContact O-N 3.31Å; L66-K206 WeakPolarHBondContact CA-O 3.47Å; L66-K206 HydrophobicContact CD1-CB 3.83Å; I67-K206 PolarHBondContact N-O 3.23Å; K206-E233 HydrophobicContact CB-CG 4.38Å; K206-D234 CarbonylContact C-O 3.56Å; K206-D234 WeakPolarHBondContact CA-O 3.27Å; K206-H235 HydrophobicContact CG-CB 4.49Å
207	I	98.9	Very high	98.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125	-177.8	-55.9	-60.2	0	0	0	109.5	I67 I205 A215 E233 D234 F236 F249 I251	I67-I207 HydrophobicContact CB-CD1 3.78Å; I67-I207 HydrophobicContact CG1-CD1 4.23Å; I67-I207 CarbonylContact O-C 3.59Å; I67-I207 WeakPolarHBondContact O-CA 3.35Å; I205-I207 HydrophobicContact CG2-CD1 3.81Å; I205-I207 HydrophobicContact CG2-CG1 4.07Å; I207-A215 HydrophobicContact CB-CB 3.99Å; I207-A215 HydrophobicContact CG1-CB 4.46Å; I207-A215 HydrophobicContact CG2-CB 3.78Å; I207-E233 WeakPolarHBondContact O-CA 3.47Å; I207-D234 PolarHBondContact N-O 3.43Å; I207-D234 PolarHBondContact O-N 3.37Å; I207-F236 HydrophobicContact CB-CE2 4.18Å; I207-F236 HydrophobicContact CG1-CD2 4.41Å; I207-F236 HydrophobicContact CG1-CE2 3.71Å; I207-F249 HydrophobicContact CD1-CB 3.94Å; I207-F249 HydrophobicContact CD1-CD1 4.43Å; I207-F249 HydrophobicContact CD1-CD2 4.04Å; I207-F249 HydrophobicContact CD1-CG 3.88Å; I207-F249 HydrophobicContact CG1-CB 4.36Å; I207-I251 HydrophobicContact CG2-CD1 3.65Å; I207-I251 HydrophobicContact CG2-CG1 3.8Å
208	R	98.7	Very high	98.5	Very high	73 Å²	73	29.7 Å²	29.7	28%	0.275	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	127.5	169	-70.1	-178.1	-178	-175.4	-0.6	110.3	L66 I67 H68 L231 I232 E233	L66-R208 HydrophobicContact CD1-CG 4.13Å; I67-R208 PolarHBondContact O-N 3.33Å; H68-R208 HydrophobicContact CB-CB 3.85Å; R208-L231 HydrophobicContact CB-CD1 4.25Å; R208-L231 HydrophobicContact CB-CD2 4.36Å; R208-L231 HydrophobicContact CB-CG 4.33Å; R208-I232 CarbonylContact C-O 3.52Å; R208-I232 VanDerWaalsContact CA-O 3.26Å; R208-I232 WeakPolarHBondContact CA-O 3.47Å; R208-E233 HydrophobicContact CG-CB 3.95Å; R208-E233 HydrophobicContact CG-CG 3.86Å; R208-E233 IonicContact CZ-OE2 3.7Å; R208-E233 IonicContact NE-OE2 3.93Å; R208-E233 PolarHBondContact NE-OE2 2.98Å; R208-E233 IonicContact NH2-OE2 2.65Å; R208-E233 PolarHBondContact NH2-OE2 3.01Å
209	R	98.2	Very high	98.6	Very high	24 Å²	24	28.5 Å²	28.5	9%	0.091	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	162.2	-177.9	58	159.2	177.4	85.1	9.9	112.5	H213 A215 I232 D234 I251	R209-H213 VanDerWaalsContact CD-O 3.23Å; R209-H213 WeakPolarHBondContact CD-O 3.22Å; R209-H213 PolarHBondContact NE-O 3.18Å; R209-H213 PolarHBondContact NH1-O 2.87Å; R209-A215 HydrophobicContact CG-CB 4.5Å; R209-I232 PolarHBondContact N-O 2.92Å; R209-I232 PolarHBondContact O-N 3.26Å; R209-D234 IonicContact CZ-OD1 2.62Å; R209-D234 IonicContact CZ-OD2 3.41Å; R209-D234 IonicContact NE-OD2 2.73Å; R209-D234 PolarHBondContact NE-OD2 2.95Å; R209-D234 VanDerWaalsContact NH2-CG 3.34Å; R209-D234 IonicContact NH2-OD1 3.69Å; R209-D234 PolarHBondContact NH2-OD1 3.32Å; R209-D234 VanDerWaalsContact NH2-OD1 3.11Å; R209-D234 IonicContact NH2-OD2 2.63Å; R209-D234 PolarHBondContact NH2-OD2 2.76Å; R209-I251 HydrophobicContact CB-CG2 4.28Å
210	E	98	Very high	98.6	Very high	57 Å²	57	29.4 Å²	29.4	27%	0.266	14%	0.144	S	C	.	.			trans	-69.1	150.5	168.5	-66.3	173.1	-148.8	0	0	111.2	R212 H213	E210-R212 HydrophobicContact CB-CG 4.21Å; E210-R212 PolarHBondContact O-N 3.47Å; E210-R212 VanDerWaalsContact O-N 3.13Å; E210-R212 IonicContact OE1-NH2 2.69Å; E210-R212 IonicContact OE2-CZ 2.81Å; E210-R212 VanDerWaalsContact OE2-CZ 3.27Å; E210-R212 IonicContact OE2-NE 3.15Å; E210-R212 PolarHBondContact OE2-NE 2.78Å; E210-R212 IonicContact OE2-NH2 2.77Å; E210-R212 PolarHBondContact OE2-NH2 3.33Å; E210-H213 PolarHBondContact O-N 3.49Å; E210-H213 VanDerWaalsContact O-N 3.11Å
211	P	97.7	Very high	98.6	Very high	80 Å²	80	32.6 Å²	32.6	52%	0.519	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-27	-179.2	-27.4	33.2	0	0	0	115.5	H213 G230 I232	P211-H213 VanDerWaalsContact C-N 3.3Å; P211-H213 PolarHBondContact O-N 2.92Å; P211-G230 WeakPolarHBondContact CD-O 3.4Å; P211-I232 HydrophobicContact CB-CD1 4.04Å; P211-I232 HydrophobicContact CG-CD1 4.08Å; P211-I232 HydrophobicContact CG-CG1 4.33Å
212	R	96.9	Very high	98.5	Very high	144 Å²	144	36.8 Å²	36.8	54%	0.543	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-19.3	179.6	66.4	176.3	170.6	115.4	0	114.1	E210	E210-R212 HydrophobicContact CB-CG 4.21Å; E210-R212 PolarHBondContact O-N 3.47Å; E210-R212 VanDerWaalsContact O-N 3.13Å; E210-R212 IonicContact OE1-NH2 2.69Å; E210-R212 IonicContact OE2-CZ 2.81Å; E210-R212 VanDerWaalsContact OE2-CZ 3.27Å; E210-R212 IonicContact OE2-NE 3.15Å; E210-R212 PolarHBondContact OE2-NE 2.78Å; E210-R212 IonicContact OE2-NH2 2.77Å; E210-R212 PolarHBondContact OE2-NH2 3.33Å
213	H	98.4	Very high	98.5	Very high	12 Å²	12	41.5 Å²	41.5	6%	0.056	20%	0.204	C	C	.	.	S	Bend	trans	-96.2	156.7	178.8	-61.4	126	0	0	0	110.3	R209 E210 P211 I251 S252	R209-H213 VanDerWaalsContact CD-O 3.23Å; R209-H213 WeakPolarHBondContact CD-O 3.22Å; R209-H213 PolarHBondContact NE-O 3.18Å; R209-H213 PolarHBondContact NH1-O 2.87Å; E210-H213 PolarHBondContact O-N 3.49Å; E210-H213 VanDerWaalsContact O-N 3.11Å; P211-H213 VanDerWaalsContact C-N 3.3Å; P211-H213 PolarHBondContact O-N 2.92Å; H213-I251 HydrophobicContact CB-CG2 3.82Å; H213-S252 CarbonylContact C-O 3.53Å; H213-S252 VanDerWaalsContact CA-O 3.25Å; H213-S252 WeakPolarHBondContact CA-O 3.48Å; H213-S252 WeakPolarHBondContact CB-O 3.35Å
214	L	98.3	Very high	98.4	Very high	52 Å²	52	44.3 Å²	44.3	27%	0.272	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	146.3	163.2	174.7	65.4	0	0	0	108.8	I216 I251 S252 Y270	L214-I216 HydrophobicContact CD1-CG2 4.44Å; L214-I216 HydrophobicContact CD2-CG2 3.94Å; L214-I216 HydrophobicContact CG-CG2 4.06Å; L214-I251 WeakPolarHBondContact O-CA 3.29Å; L214-S252 PolarHBondContact N-O 2.97Å; L214-S252 PolarHBondContact O-N 2.96Å; L214-Y270 HydrophobicContact CD2-CD1 4.24Å; L214-Y270 HydrophobicContact CD2-CE1 3.62Å
215	A	98.8	Very high	98.4	Very high	2 Å²	2	45.3 Å²	45.3	2%	0.017	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.7	163.8	0	0	0	0	0	109.7	I207 R209 F236 I250	I207-A215 HydrophobicContact CB-CB 3.99Å; I207-A215 HydrophobicContact CG1-CB 4.46Å; I207-A215 HydrophobicContact CG2-CB 3.78Å; R209-A215 HydrophobicContact CG-CB 4.5Å; A215-F236 HydrophobicContact CB-CE2 4.49Å; A215-F236 HydrophobicContact CB-CZ 4.08Å; A215-F236 WeakPolarHBondContact O-CZ 3.38Å; A215-I250 VanDerWaalsContact CA-O 3.29Å; A215-I250 WeakPolarHBondContact CA-O 3.5Å
216	I	98.8	Very high	98.3	Very high	9 Å²	9	50.3 Å²	50.3	5%	0.046	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	149.9	170.3	58.3	-178.9	0	0	0	109.3	L214 F249 I250 Y270 L324	L214-I216 HydrophobicContact CD1-CG2 4.44Å; L214-I216 HydrophobicContact CD2-CG2 3.94Å; L214-I216 HydrophobicContact CG-CG2 4.06Å; I216-F249 CarbonylContact O-C 3.59Å; I216-F249 VanDerWaalsContact O-CA 3.25Å; I216-F249 WeakPolarHBondContact O-CA 3.2Å; I216-I250 HydrophobicContact CD1-CB 4.38Å; I216-I250 HydrophobicContact CD1-CD1 4.21Å; I216-I250 HydrophobicContact CG1-CB 3.83Å; I216-I250 HydrophobicContact CG1-CD1 4.38Å; I216-I250 HydrophobicContact CG1-CG1 4.47Å; I216-I250 PolarHBondContact N-O 3.39Å; I216-I250 PolarHBondContact O-N 3.32Å; I216-Y270 HydrophobicContact CD1-CD1 4.19Å; I216-Y270 HydrophobicContact CD1-CD2 4.12Å; I216-Y270 HydrophobicContact CD1-CE1 4.46Å; I216-Y270 HydrophobicContact CD1-CE2 4.38Å; I216-Y270 HydrophobicContact CD1-CG 4.02Å; I216-Y270 HydrophobicContact CG2-CE1 4.16Å; I216-L324 HydrophobicContact CB-CD2 4.45Å; I216-L324 HydrophobicContact CD1-CD1 3.61Å; I216-L324 HydrophobicContact CD1-CD2 4.46Å; I216-L324 HydrophobicContact CG1-CD1 4.04Å; I216-L324 HydrophobicContact CG1-CD2 4Å
217	S	98.9	Very high	98.2	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.007	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	-174.3	179.6	-171.7	0	0	0	0	109.8	I205 M219 A248 K305	I205-S217 WeakPolarHBondContact CD1-OG 3.17Å; S217-M219 VanDerWaalsContact C-N 3.29Å; S217-M219 PolarHBondContact O-N 3.04Å; S217-A248 VanDerWaalsContact CA-O 3.28Å; S217-A248 WeakPolarHBondContact CA-O 2.78Å; S217-A248 WeakPolarHBondContact CB-O 3.33Å; S217-A248 PolarHBondContact OG-O 3.08Å; S217-K305 PolarHBondContact O-NZ 2.95Å
218	N	98.8	Very high	97.9	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	29%	0.286	C	S	.	.	S	Bend	trans	-51.1	-46.5	-179.2	-62.6	96.2	0	0	0	112.8	T239 L246 A248 K305 W322	N218-T239 HydrophobicContact CB-CG2 4.05Å; N218-L246 PolarHBondContact ND2-O 3.48Å; N218-A248 PolarHBondContact N-O 3.31Å; N218-A248 PolarHBondContact OD1-N 3.43Å; N218-A248 PolarHBondContact OD1-O 3.39Å; N218-K305 WeakPolarHBondContact O-CE 3.38Å; N218-K305 PolarHBondContact O-NZ 2.06Å; N218-W322 WeakPolarHBondContact CA-O 3.41Å; N218-W322 WeakPolarHBondContact CB-O 3.2Å; N218-W322 PolarHBondContact ND2-O 3.03Å
219	M	98.8	Very high	97.6	Very high	13 Å²	13	58.9 Å²	58.9	6%	0.064	32%	0.316	C	S	.	.	S	Bend	trans	-101.1	164.4	-173.4	-66.1	-57.7	-70	0	0	113	S217 F236 D237 V238 T239 L303	S217-M219 VanDerWaalsContact C-N 3.29Å; S217-M219 PolarHBondContact O-N 3.04Å; M219-F236 HydrophobicContact CB-CB 4.47Å; M219-F236 VanDerWaalsContact O-CD1 3.3Å; M219-F236 WeakPolarHBondContact O-CD1 3.28Å; M219-D237 HydrophobicContact CB-CB 3.98Å; M219-D237 WeakPolarHBondContact CB-O 3.41Å; M219-D237 HydrophobicContact CE-CB 4.17Å; M219-D237 VanDerWaalsContact CG-O 3.28Å; M219-D237 WeakPolarHBondContact CG-O 3.34Å; M219-V238 WeakPolarHBondContact CE-O 3.49Å; M219-T239 HydrophobicContact CG-CG2 3.64Å; M219-T239 HydrophobicContact SD-CG2 4.47Å; M219-L303 HydrophobicContact CE-CD2 4.28Å; M219-L303 HydrophobicContact SD-CD1 3.9Å; M219-L303 HydrophobicContact SD-CD2 3.78Å; M219-L303 HydrophobicContact SD-CG 4.29Å
220	P	98.7	Very high	97.3	Very high	36 Å²	36	59.7 Å²	59.7	23%	0.234	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-59.5	147.1	172.7	-20.5	31.3	0	0	0	112.7	V222 F236 D237 P304 K305	P220-V222 PolarHBondContact O-N 3.42Å; P220-F236 WeakPolarHBondContact O-CA 3.42Å; P220-D237 PolarHBondContact O-N 3.12Å; P220-P304 HydrophobicContact CG-CB 3.97Å; P220-P304 HydrophobicContact CG-CG 4.02Å; P220-K305 HydrophobicContact CG-CG 3.84Å
221	L	98.5	Very high	97.2	Very high	76 Å²	76	58.2 Å²	58.2	40%	0.398	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	121.1	168.6	178.4	69.6	0	0	0	109.6	D234 F236	L221-D234 HydrophobicContact CD1-CB 3.51Å; L221-F236 HydrophobicContact CB-CD1 4.3Å; L221-F236 HydrophobicContact CB-CE1 4.15Å; L221-F236 HydrophobicContact CD1-CE1 4.24Å; L221-F236 HydrophobicContact CD1-CZ 4.38Å
222	V	98	Very high	97.3	Very high	88 Å²	88	55.9 Å²	55.9	53%	0.533	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-33	178.9	-63.3	0	0	0	0	112.6	P220 H235 D237	P220-V222 PolarHBondContact O-N 3.42Å; V222-H235 HydrophobicContact CG2-CB 3.93Å; V222-H235 WeakPolarHBondContact CG2-O 3.36Å; V222-H235 PolarHBondContact N-O 2.93Å; V222-D237 HydrophobicContact CG1-CB 3.72Å
223	K	97.6	Very high	97.4	Very high	124 Å²	124	49.8 Å²	49.8	54%	0.539	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	143.6	-175.2	-167.1	-179.1	-174.6	-174.6	0	111.4	V225 H235	K223-V225 HydrophobicContact CD-CG2 3.78Å; K223-V225 HydrophobicContact CG-CG2 3.91Å; K223-H235 HydrophobicContact CB-CB 4.3Å; K223-H235 PolarHBondContact N-O 3.45Å; K223-H235 PolarHBondContact O-N 3.47Å
224	S	98.1	Very high	97.4	Very high	60 Å²	60	49.2 Å²	49.2	42%	0.42	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.5	166.5	-59.4	0	0	0	0	109.6	E233 D234	S224-E233 WeakPolarHBondContact CA-O 3.36Å; S224-D234 VanDerWaalsContact CB-OD1 3.28Å; S224-D234 WeakPolarHBondContact CB-OD1 3.45Å; S224-D234 PolarHBondContact OG-OD1 2.9Å
225	V	97.9	Very high	97.4	Very high	47 Å²	47	49.2 Å²	49.2	29%	0.285	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.3	-178.1	-174.2	0	0	0	0	110.2	K223 V227 E233	K223-V225 HydrophobicContact CD-CG2 3.78Å; K223-V225 HydrophobicContact CG-CG2 3.91Å; V225-V227 PolarHBondContact O-N 2.94Å; V225-E233 PolarHBondContact N-O 3.48Å; V225-E233 PolarHBondContact O-N 3.39Å
226	T	97.4	Very high	97.4	Very high	107 Å²	107	49.8 Å²	49.8	66%	0.656	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	115.3	169.8	-51.5	0	0	0	0	109.3	A228	T226-A228 WeakPolarHBondContact CG2-O 3.43Å
227	V	96	Very high	97.4	Very high	58 Å²	58	52.7 Å²	52.7	35%	0.352	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-21.7	-175.7	-70.2	0	0	0	0	113.2	V225 L231 E233	V225-V227 PolarHBondContact O-N 2.94Å; V227-L231 HydrophobicContact CG2-CB 4.2Å; V227-L231 HydrophobicContact CG2-CD2 3.94Å; V227-L231 HydrophobicContact CG2-CG 3.98Å; V227-L231 PolarHBondContact N-O 2.92Å; V227-E233 HydrophobicContact CG1-CB 3.61Å; V227-E233 HydrophobicContact CG2-CB 4.21Å
228	A	94.3	Very high	97.4	Very high	52 Å²	52	55.7 Å²	55.7	43%	0.43	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	170.9	172.9	0	0	0	0	0	109.1	T226 G230 L231	T226-A228 WeakPolarHBondContact CG2-O 3.43Å; A228-G230 PolarHBondContact O-N 3.33Å; A228-L231 HydrophobicContact CB-CB 4.28Å; A228-L231 PolarHBondContact O-N 3.09Å; A228-L231 VanDerWaalsContact O-N 3.07Å
229	E	91.1	Very high	97.4	Very high	193 Å²	193	56 Å²	56	90%	0.902	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	121.9	174	-171.6	61.2	-152.6	0	0	110.1	L231	E229-L231 VanDerWaalsContact C-N 3.3Å; E229-L231 PolarHBondContact O-N 3.5Å
230	G	92.1	Very high	97.4	Very high	41 Å²	41	57.1 Å²	57.1	42%	0.423	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	16	-179.2	0	0	0	0	0	116	P211 A228	P211-G230 WeakPolarHBondContact CD-O 3.4Å; A228-G230 PolarHBondContact O-N 3.33Å
231	L	96.9	Very high	97.4	Very high	27 Å²	27	60.7 Å²	60.7	14%	0.141	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	123.8	178.7	-164.7	69.3	0	0	0	112.5	R208 V227 A228 E229	R208-L231 HydrophobicContact CB-CD1 4.25Å; R208-L231 HydrophobicContact CB-CD2 4.36Å; R208-L231 HydrophobicContact CB-CG 4.33Å; V227-L231 HydrophobicContact CG2-CB 4.2Å; V227-L231 HydrophobicContact CG2-CD2 3.94Å; V227-L231 HydrophobicContact CG2-CG 3.98Å; V227-L231 PolarHBondContact N-O 2.92Å; A228-L231 HydrophobicContact CB-CB 4.28Å; A228-L231 PolarHBondContact O-N 3.09Å; A228-L231 VanDerWaalsContact O-N 3.07Å; E229-L231 VanDerWaalsContact C-N 3.3Å; E229-L231 PolarHBondContact O-N 3.5Å
232	I	98.4	Very high	97.4	Very high	31 Å²	31	57.1 Å²	57.1	16%	0.159	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	135.4	178.6	-58.2	177.2	0	0	0	108.7	R208 R209 P211	R208-I232 CarbonylContact C-O 3.52Å; R208-I232 VanDerWaalsContact CA-O 3.26Å; R208-I232 WeakPolarHBondContact CA-O 3.47Å; R209-I232 PolarHBondContact N-O 2.92Å; R209-I232 PolarHBondContact O-N 3.26Å; P211-I232 HydrophobicContact CB-CD1 4.04Å; P211-I232 HydrophobicContact CG-CD1 4.08Å; P211-I232 HydrophobicContact CG-CG1 4.33Å
233	E	98.7	Very high	97.4	Very high	16 Å²	16	52.9 Å²	52.9	8%	0.075	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	113.1	169.8	-169.3	178	97.8	0	0	109.3	L66 K206 I207 R208 S224 V225 V227 H235	L66-E233 HydrophobicContact CD1-CG 4.35Å; K206-E233 HydrophobicContact CB-CG 4.38Å; I207-E233 WeakPolarHBondContact O-CA 3.47Å; R208-E233 HydrophobicContact CG-CB 3.95Å; R208-E233 HydrophobicContact CG-CG 3.86Å; R208-E233 IonicContact CZ-OE2 3.7Å; R208-E233 IonicContact NE-OE2 3.93Å; R208-E233 PolarHBondContact NE-OE2 2.98Å; R208-E233 IonicContact NH2-OE2 2.65Å; R208-E233 PolarHBondContact NH2-OE2 3.01Å; S224-E233 WeakPolarHBondContact CA-O 3.36Å; V225-E233 PolarHBondContact N-O 3.48Å; V225-E233 PolarHBondContact O-N 3.39Å; V227-E233 HydrophobicContact CG1-CB 3.61Å; V227-E233 HydrophobicContact CG2-CB 4.21Å; E233-H235 IonicContact OE1-CD2 3.64Å; E233-H235 IonicContact OE1-CE1 3.64Å; E233-H235 IonicContact OE1-NE2 2.72Å; E233-H235 PolarHBondContact OE1-NE2 3.36Å
234	D	98.8	Very high	97.5	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	130.1	175.3	-76.6	-19	0	0	0	109.9	K206 I207 R209 L221 S224 F236	K206-D234 CarbonylContact C-O 3.56Å; K206-D234 WeakPolarHBondContact CA-O 3.27Å; I207-D234 PolarHBondContact N-O 3.43Å; I207-D234 PolarHBondContact O-N 3.37Å; R209-D234 IonicContact CZ-OD1 2.62Å; R209-D234 IonicContact CZ-OD2 3.41Å; R209-D234 IonicContact NE-OD2 2.73Å; R209-D234 PolarHBondContact NE-OD2 2.95Å; R209-D234 VanDerWaalsContact NH2-CG 3.34Å; R209-D234 IonicContact NH2-OD1 3.69Å; R209-D234 PolarHBondContact NH2-OD1 3.32Å; R209-D234 VanDerWaalsContact NH2-OD1 3.11Å; R209-D234 IonicContact NH2-OD2 2.63Å; R209-D234 PolarHBondContact NH2-OD2 2.76Å; L221-D234 HydrophobicContact CD1-CB 3.51Å; S224-D234 VanDerWaalsContact CB-OD1 3.28Å; S224-D234 WeakPolarHBondContact CB-OD1 3.45Å; S224-D234 PolarHBondContact OG-OD1 2.9Å; D234-F236 HydrophobicContact CB-CE2 4.04Å; D234-F236 HydrophobicContact CB-CZ 4.27Å
235	H	98.8	Very high	97.5	Very high	51 Å²	51	44.2 Å²	44.2	24%	0.236	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	119.5	178.4	-64.6	-163.9	0	0	0	107.7	K206 V222 K223 E233	K206-H235 HydrophobicContact CG-CB 4.49Å; V222-H235 HydrophobicContact CG2-CB 3.93Å; V222-H235 WeakPolarHBondContact CG2-O 3.36Å; V222-H235 PolarHBondContact N-O 2.93Å; K223-H235 HydrophobicContact CB-CB 4.3Å; K223-H235 PolarHBondContact N-O 3.45Å; K223-H235 PolarHBondContact O-N 3.47Å; E233-H235 IonicContact OE1-CD2 3.64Å; E233-H235 IonicContact OE1-CE1 3.64Å; E233-H235 IonicContact OE1-NE2 2.72Å; E233-H235 PolarHBondContact OE1-NE2 3.36Å
236	F	98.9	Very high	97.6	Very high	14 Å²	14	42 Å²	42	6%	0.061	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	153.9	174.3	-61.5	-84.8	0	0	0	110.1	I205 I207 A215 M219 P220 L221 D234	I205-F236 HydrophobicContact CB-CD2 4.4Å; I205-F236 HydrophobicContact CG2-CD2 4.24Å; I205-F236 WeakPolarHBondContact O-CD2 3.3Å; I205-F236 PolarHBondContact O-N 2.95Å; I207-F236 HydrophobicContact CB-CE2 4.18Å; I207-F236 HydrophobicContact CG1-CD2 4.41Å; I207-F236 HydrophobicContact CG1-CE2 3.71Å; A215-F236 HydrophobicContact CB-CE2 4.49Å; A215-F236 HydrophobicContact CB-CZ 4.08Å; A215-F236 WeakPolarHBondContact O-CZ 3.38Å; M219-F236 HydrophobicContact CB-CB 4.47Å; M219-F236 VanDerWaalsContact O-CD1 3.3Å; M219-F236 WeakPolarHBondContact O-CD1 3.28Å; P220-F236 WeakPolarHBondContact O-CA 3.42Å; L221-F236 HydrophobicContact CB-CD1 4.3Å; L221-F236 HydrophobicContact CB-CE1 4.15Å; L221-F236 HydrophobicContact CD1-CE1 4.24Å; L221-F236 HydrophobicContact CD1-CZ 4.38Å; D234-F236 HydrophobicContact CB-CE2 4.04Å; D234-F236 HydrophobicContact CB-CZ 4.27Å
237	D	98.7	Very high	97.6	Very high	71 Å²	71	36.9 Å²	36.9	38%	0.38	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-62.5	159.9	173.9	-151	-11.2	0	0	0	111.1	M219 P220 V222	M219-D237 HydrophobicContact CB-CB 3.98Å; M219-D237 WeakPolarHBondContact CB-O 3.41Å; M219-D237 HydrophobicContact CE-CB 4.17Å; M219-D237 VanDerWaalsContact CG-O 3.28Å; M219-D237 WeakPolarHBondContact CG-O 3.34Å; P220-D237 PolarHBondContact O-N 3.12Å; V222-D237 HydrophobicContact CG1-CB 3.72Å
238	V	98.8	Very high	97.8	Very high	64 Å²	64	34.1 Å²	34.1	39%	0.388	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-72.9	133.9	179.4	63.3	0	0	0	0	110.7	M219	M219-V238 WeakPolarHBondContact CE-O 3.49Å
239	T	98.9	Very high	98	Very high	7 Å²	7	31.7 Å²	31.7	4%	0.043	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-70.4	158.9	176.6	72.8	0	0	0	0	111.4	S202 F203 N218 M219 M242	S202-T239 WeakPolarHBondContact CB-O 3.39Å; F203-T239 HydrophobicContact CB-CG2 4.04Å; F203-T239 PolarHBondContact N-OG1 3.38Å; F203-T239 WeakPolarHBondContact O-CG2 3.25Å; F203-T239 PolarHBondContact O-N 2.8Å; N218-T239 HydrophobicContact CB-CG2 4.05Å; M219-T239 HydrophobicContact CG-CG2 3.64Å; M219-T239 HydrophobicContact SD-CG2 4.47Å; T239-M242 HydrophobicContact CG2-CE 3.67Å; T239-M242 HydrophobicContact CG2-SD 4.08Å
240	V	98.7	Very high	98.4	Very high	37 Å²	37	22.5 Å²	22.5	22%	0.224	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-62	171.7	158.4	-61.7	0	0	0	0	110.9	M242 L303 W322 Y470	V240-M242 PolarHBondContact O-N 3.06Å; V240-L303 HydrophobicContact CG1-CD2 3.94Å; V240-L303 HydrophobicContact CG2-CD2 4.09Å; V240-W322 HydrophobicContact CG2-CD2 4.22Å; V240-W322 HydrophobicContact CG2-CE3 3.85Å; V240-W322 HydrophobicContact CG2-CH2 3.67Å; V240-W322 HydrophobicContact CG2-CZ2 4.09Å; V240-W322 HydrophobicContact CG2-CZ3 3.56Å; V240-Y470 HydrophobicContact CB-CD1 4.22Å; V240-Y470 HydrophobicContact CB-CE1 3.75Å; V240-Y470 HydrophobicContact CG1-CE1 4.09Å; V240-Y470 HydrophobicContact CG2-CD1 4.34Å; V240-Y470 HydrophobicContact CG2-CE1 3.88Å
241	K	98.8	Very high	98.7	Very high	110 Å²	110	20.6 Å²	20.6	48%	0.478	11%	0.105	S	C	.	.	S	Bend	trans	-63.3	118	172.6	-76.3	-170.4	70.4	-173.5	0	110.4	A201	A201-K241 WeakPolarHBondContact O-CA 3.48Å
242	M	98.8	Very high	98.8	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-146.4	167.7	-179.8	70.6	-173.9	-163.6	0	0	111.3	K200 A201 F203 T239 V240 L246 V247 W322	K200-M242 VanDerWaalsContact CA-O 3.25Å; K200-M242 WeakPolarHBondContact CA-O 3.12Å; A201-M242 PolarHBondContact N-O 2.91Å; A201-M242 PolarHBondContact O-N 3.45Å; F203-M242 HydrophobicContact CD2-CE 3.72Å; F203-M242 HydrophobicContact CD2-CG 3.91Å; F203-M242 HydrophobicContact CE2-CE 4.24Å; F203-M242 HydrophobicContact CE2-CG 3.86Å; F203-M242 HydrophobicContact CG-CE 4.28Å; T239-M242 HydrophobicContact CG2-CE 3.67Å; T239-M242 HydrophobicContact CG2-SD 4.08Å; V240-M242 PolarHBondContact O-N 3.06Å; M242-L246 HydrophobicContact CB-CD1 4.35Å; M242-L246 HydrophobicContact SD-CB 4.38Å; M242-V247 HydrophobicContact CE-CB 4.39Å; M242-V247 HydrophobicContact CE-CG2 3.69Å; M242-W322 HydrophobicContact CB-CE3 3.64Å; M242-W322 HydrophobicContact CB-CZ3 3.87Å; M242-W322 HydrophobicContact SD-CB 4.24Å; M242-W322 HydrophobicContact SD-CE3 4.3Å
243	S	98.8	Very high	98.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.099	C	C	.	.			trans	-81	155.7	178.9	-55.9	0	0	0	0	111.4	P197 K200 Y245 L246	P197-S243 PolarHBondContact O-OG 2.88Å; K200-S243 WeakPolarHBondContact CE-OG 3.42Å; S243-Y245 VanDerWaalsContact C-N 3.29Å; S243-Y245 PolarHBondContact O-N 2.73Å; S243-L246 PolarHBondContact O-N 2.93Å
244	T	98.8	Very high	98.8	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.006	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-60.1	-36.3	-177.3	47	0	0	0	0	113.4	C193 D195 F203 L246 V247	C193-T244 HydrophobicContact CB-CG2 4.08Å; D195-T244 WeakPolarHBondContact OD1-CB 3.2Å; D195-T244 PolarHBondContact OD1-OG1 3Å; F203-T244 HydrophobicContact CE1-CG2 4.47Å; F203-T244 HydrophobicContact CZ-CG2 4.07Å; T244-L246 PolarHBondContact O-N 2.91Å; T244-L246 VanDerWaalsContact O-N 3.14Å; T244-V247 WeakPolarHBondContact O-CB 3.31Å; T244-V247 WeakPolarHBondContact O-CG2 3.42Å; T244-V247 PolarHBondContact O-N 3Å; T244-V247 VanDerWaalsContact O-N 3.13Å
245	Y	98.7	Very high	98.8	Very high	1 Å²	1	24 Å²	24	0%	0.004	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-65.1	-16.4	-178.6	81.4	-94.4	0	0	0	113.7	E183 P197 S243 M319 N321 G361 T365 W369 N375	E183-Y245 HydrophobicContact CB-CD2 3.83Å; E183-Y245 HydrophobicContact CG-CD2 3.75Å; E183-Y245 HydrophobicContact CG-CE2 4.17Å; E183-Y245 HydrophobicContact CG-CG 4.38Å; E183-Y245 WeakPolarHBondContact OE1-CE2 3.49Å; P197-Y245 HydrophobicContact CB-CD1 4.44Å; P197-Y245 HydrophobicContact CB-CE1 4.28Å; S243-Y245 VanDerWaalsContact C-N 3.29Å; S243-Y245 PolarHBondContact O-N 2.73Å; Y245-M319 HydrophobicContact CD2-CE 3.66Å; Y245-M319 HydrophobicContact CE2-CE 3.81Å; Y245-N321 PolarHBondContact O-ND2 3.46Å; Y245-G361 PolarHBondContact OH-O 3.08Å; Y245-T365 HydrophobicContact CE1-CG2 3.92Å; Y245-W369 HydrophobicContact CD1-CH2 4.06Å; Y245-W369 HydrophobicContact CD1-CZ2 4.4Å; Y245-W369 HydrophobicContact CE1-CH2 4.33Å; Y245-W369 HydrophobicContact CG-CH2 4.19Å; Y245-N375 PolarHBondContact OH-ND2 2.97Å
246	L	98.9	Very high	98.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-90.4	-11	178.5	-64.8	172.9	0	0	0	113.6	N218 M242 S243 T244 A248 M319 E320 N321 N362	N218-L246 PolarHBondContact ND2-O 3.48Å; M242-L246 HydrophobicContact CB-CD1 4.35Å; M242-L246 HydrophobicContact SD-CB 4.38Å; S243-L246 PolarHBondContact O-N 2.93Å; T244-L246 PolarHBondContact O-N 2.91Å; T244-L246 VanDerWaalsContact O-N 3.14Å; L246-A248 PolarHBondContact O-N 2.98Å; L246-M319 HydrophobicContact CD2-CE 4.04Å; L246-E320 HydrophobicContact CD2-CG 3.79Å; L246-N321 WeakPolarHBondContact O-CB 3.37Å; L246-N321 PolarHBondContact O-ND2 3.41Å; L246-N362 HydrophobicContact CD1-CB 4.09Å; L246-N362 WeakPolarHBondContact CD1-OD1 3.45Å; L246-N362 WeakPolarHBondContact CD2-OD1 3.33Å
247	V	98.9	Very high	98.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.136	C	C	.	.			trans	-60.5	132.5	174.5	176.2	0	0	0	0	108.9	L65 F182 F191 F203 I205 M242 T244 F249	L65-V247 HydrophobicContact CD1-CG1 4.22Å; F182-V247 HydrophobicContact CD2-CB 4.11Å; F182-V247 WeakPolarHBondContact CD2-O 3.32Å; F182-V247 HydrophobicContact CE2-CB 3.97Å; F182-V247 HydrophobicContact CE2-CG1 4.01Å; F182-V247 WeakPolarHBondContact CE2-O 3.34Å; F191-V247 HydrophobicContact CE1-CB 4.3Å; F191-V247 HydrophobicContact CE1-CG1 4Å; F191-V247 HydrophobicContact CZ-CB 4.21Å; F191-V247 HydrophobicContact CZ-CG1 4.24Å; F191-V247 HydrophobicContact CZ-CG2 4.09Å; F203-V247 HydrophobicContact CD1-CG2 3.64Å; F203-V247 HydrophobicContact CD2-CG2 4.06Å; F203-V247 HydrophobicContact CE1-CG2 3.62Å; F203-V247 HydrophobicContact CE2-CG2 4.03Å; F203-V247 HydrophobicContact CG-CG2 3.88Å; F203-V247 HydrophobicContact CZ-CG2 3.83Å; I205-V247 HydrophobicContact CD1-CG1 3.92Å; M242-V247 HydrophobicContact CE-CB 4.39Å; M242-V247 HydrophobicContact CE-CG2 3.69Å; T244-V247 WeakPolarHBondContact O-CB 3.31Å; T244-V247 WeakPolarHBondContact O-CG2 3.42Å; T244-V247 PolarHBondContact O-N 3Å; T244-V247 VanDerWaalsContact O-N 3.13Å; V247-F249 HydrophobicContact CG1-CD1 4.27Å; V247-F249 HydrophobicContact CG1-CE1 4.19Å
248	A	98.9	Very high	98.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.136	C	C	.	.			trans	-142.9	145.1	177	0	0	0	0	0	112.4	T180 S217 N218 L246 N321 L324	T180-A248 VanDerWaalsContact OG1-CA 3.28Å; T180-A248 WeakPolarHBondContact OG1-CA 3.46Å; S217-A248 VanDerWaalsContact CA-O 3.28Å; S217-A248 WeakPolarHBondContact CA-O 2.78Å; S217-A248 WeakPolarHBondContact CB-O 3.33Å; S217-A248 PolarHBondContact OG-O 3.08Å; N218-A248 PolarHBondContact N-O 3.31Å; N218-A248 PolarHBondContact OD1-N 3.43Å; N218-A248 PolarHBondContact OD1-O 3.39Å; L246-A248 PolarHBondContact O-N 2.98Å; A248-N321 HydrophobicContact CB-CB 3.55Å; A248-L324 HydrophobicContact CB-CB 4.44Å; A248-L324 HydrophobicContact CB-CD2 4.12Å; A248-L324 HydrophobicContact CB-CG 4.44Å
249	F	98.8	Very high	98.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	141.8	168.7	45.1	-94.5	0	0	0	110.8	I67 F162 T180 F182 A190 I205 I207 I216 V247	I67-F249 HydrophobicContact CD1-CZ 4.42Å; I67-F249 HydrophobicContact CG1-CE1 4.32Å; I67-F249 HydrophobicContact CG1-CE2 4.28Å; I67-F249 HydrophobicContact CG1-CZ 3.94Å; I67-F249 HydrophobicContact CG2-CE2 4.17Å; F162-F249 HydrophobicContact CD1-CE2 4.05Å; F162-F249 HydrophobicContact CD2-CD2 4.2Å; F162-F249 AromaticContact CD2-CE2 3.64Å; F162-F249 HydrophobicContact CD2-CE2 3.64Å; F162-F249 HydrophobicContact CE1-CE2 4.04Å; F162-F249 AromaticContact CE2-CD2 3.87Å; F162-F249 HydrophobicContact CE2-CD2 3.87Å; F162-F249 AromaticContact CE2-CE2 3.65Å; F162-F249 HydrophobicContact CE2-CE2 3.65Å; F162-F249 AromaticContact CG-CE2 3.86Å; F162-F249 HydrophobicContact CG-CE2 3.86Å; F162-F249 HydrophobicContact CZ-CD2 4.19Å; F162-F249 AromaticContact CZ-CE2 3.86Å; F162-F249 HydrophobicContact CZ-CE2 3.86Å; T180-F249 HydrophobicContact CG2-CD1 4.26Å; T180-F249 HydrophobicContact CG2-CD2 3.7Å; T180-F249 HydrophobicContact CG2-CE1 4.09Å; T180-F249 HydrophobicContact CG2-CE2 3.5Å; T180-F249 HydrophobicContact CG2-CG 4.09Å; T180-F249 HydrophobicContact CG2-CZ 3.71Å; T180-F249 WeakPolarHBondContact CG2-O 3.38Å; T180-F249 PolarHBondContact OG1-N 2.9Å; T180-F249 PolarHBondContact OG1-O 3.44Å; F182-F249 HydrophobicContact CE2-CE1 4.42Å; F182-F249 HydrophobicContact CZ-CE1 4.24Å; F182-F249 HydrophobicContact CZ-CZ 4.2Å; A190-F249 HydrophobicContact CB-CZ 4.36Å; I205-F249 HydrophobicContact CG2-CD1 4.46Å; I207-F249 HydrophobicContact CD1-CB 3.94Å; I207-F249 HydrophobicContact CD1-CD1 4.43Å; I207-F249 HydrophobicContact CD1-CD2 4.04Å; I207-F249 HydrophobicContact CD1-CG 3.88Å; I207-F249 HydrophobicContact CG1-CB 4.36Å; I216-F249 CarbonylContact O-C 3.59Å; I216-F249 VanDerWaalsContact O-CA 3.25Å; I216-F249 WeakPolarHBondContact O-CA 3.2Å; V247-F249 HydrophobicContact CG1-CD1 4.27Å; V247-F249 HydrophobicContact CG1-CE1 4.19Å
250	I	98.9	Very high	98.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135.4	-177.3	-57.5	170.5	0	0	0	108.4	L177 A178 A215 I216 A309 I311 L324 T326	L177-I250 HydrophobicContact CD1-CG2 4.39Å; A178-I250 CarbonylContact O-C 3.44Å; A178-I250 WeakPolarHBondContact O-CA 3.5Å; A215-I250 VanDerWaalsContact CA-O 3.29Å; A215-I250 WeakPolarHBondContact CA-O 3.5Å; I216-I250 HydrophobicContact CD1-CB 4.38Å; I216-I250 HydrophobicContact CD1-CD1 4.21Å; I216-I250 HydrophobicContact CG1-CB 3.83Å; I216-I250 HydrophobicContact CG1-CD1 4.38Å; I216-I250 HydrophobicContact CG1-CG1 4.47Å; I216-I250 PolarHBondContact N-O 3.39Å; I216-I250 PolarHBondContact O-N 3.32Å; I250-A309 HydrophobicContact CD1-CB 3.84Å; I250-I311 HydrophobicContact CD1-CD1 3.78Å; I250-L324 HydrophobicContact CD1-CD1 4.21Å; I250-L324 HydrophobicContact CD1-CD2 4.09Å; I250-L324 HydrophobicContact CD1-CG 4.28Å; I250-L324 HydrophobicContact CG1-CD2 4.21Å; I250-T326 HydrophobicContact CD1-CG2 3.98Å
251	I	98.9	Very high	98.7	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	110.4	171.7	-56.2	168.8	0	0	0	107.4	A69 L71 F162 L177 A178 I207 R209 H213 L214	A69-I251 HydrophobicContact CB-CD1 3.6Å; L71-I251 HydrophobicContact CD1-CB 4.3Å; L71-I251 HydrophobicContact CD1-CG2 3.92Å; L71-I251 HydrophobicContact CD2-CG2 4.19Å; F162-I251 HydrophobicContact CZ-CD1 4.19Å; L177-I251 WeakPolarHBondContact CA-O 3.45Å; L177-I251 WeakPolarHBondContact CB-O 3.41Å; A178-I251 PolarHBondContact N-O 3.08Å; A178-I251 PolarHBondContact O-N 3.21Å; I207-I251 HydrophobicContact CG2-CD1 3.65Å; I207-I251 HydrophobicContact CG2-CG1 3.8Å; R209-I251 HydrophobicContact CB-CG2 4.28Å; H213-I251 HydrophobicContact CB-CG2 3.82Å; L214-I251 WeakPolarHBondContact O-CA 3.29Å
252	S	98.6	Very high	98.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	-171.4	-173.8	70.1	0	0	0	0	111.3	H213 L214 F254	H213-S252 CarbonylContact C-O 3.53Å; H213-S252 VanDerWaalsContact CA-O 3.25Å; H213-S252 WeakPolarHBondContact CA-O 3.48Å; H213-S252 WeakPolarHBondContact CB-O 3.35Å; L214-S252 PolarHBondContact N-O 2.97Å; L214-S252 PolarHBondContact O-N 2.96Å; S252-F254 WeakPolarHBondContact OG-CB 3.48Å; S252-F254 WeakPolarHBondContact OG-CD2 3.43Å; S252-F254 WeakPolarHBondContact OG-CG 3.44Å; S252-F254 PolarHBondContact OG-N 3.27Å
253	D	98.3	Very high	98.6	Very high	31 Å²	31	32.6 Å²	32.6	17%	0.166	17%	0.174	C	C	.	.			trans	-121.4	33.3	168.6	58.7	-12.7	0	0	0	110.8	Y167 R175	Y167-D253 WeakPolarHBondContact CE1-OD1 3.46Å; Y167-D253 PolarHBondContact OH-OD1 3.2Å; Y167-D253 PolarHBondContact OH-OD2 3.47Å; R175-D253 IonicContact CZ-OD2 3.84Å; R175-D253 IonicContact NH1-OD2 3.65Å; R175-D253 PolarHBondContact NH1-OD2 2.86Å
254	F	98.7	Very high	98.6	Very high	12 Å²	12	35.1 Å²	35.1	5%	0.053	20%	0.2	C	C	.	.			trans	-64.1	149.9	179.1	-70.4	-13.6	0	0	0	112.8	L177 S252 Y270 A271 V272 A310 I311	L177-F254 HydrophobicContact CD1-CZ 4.11Å; L177-F254 HydrophobicContact CD2-CE1 3.95Å; L177-F254 HydrophobicContact CD2-CZ 4Å; S252-F254 WeakPolarHBondContact OG-CB 3.48Å; S252-F254 WeakPolarHBondContact OG-CD2 3.43Å; S252-F254 WeakPolarHBondContact OG-CG 3.44Å; S252-F254 PolarHBondContact OG-N 3.27Å; F254-Y270 HydrophobicContact CB-CD1 4.1Å; F254-A271 VanDerWaalsContact CA-O 3.31Å; F254-A271 WeakPolarHBondContact CA-O 3.01Å; F254-A271 VanDerWaalsContact CB-O 3.29Å; F254-A271 WeakPolarHBondContact CB-O 3.25Å; F254-V272 HydrophobicContact CD1-CG1 4.08Å; F254-V272 HydrophobicContact CE1-CG1 3.58Å; F254-A310 WeakPolarHBondContact CZ-O 3.35Å; F254-I311 HydrophobicContact CE2-CD1 4.07Å; F254-I311 HydrophobicContact CZ-CD1 4.46Å
255	E	98.7	Very high	98.6	Very high	102 Å²	102	35.4 Å²	35.4	48%	0.477	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	166.9	165.4	-66.6	-170.5	-178.9	0	0	110.1	Y270 A271 P273 I276	E255-Y270 WeakPolarHBondContact O-CA 3.36Å; E255-A271 PolarHBondContact N-O 2.9Å; E255-A271 PolarHBondContact O-N 2.93Å; E255-A271 VanDerWaalsContact O-N 3.13Å; E255-P273 HydrophobicContact CG-CB 4.07Å; E255-P273 HydrophobicContact CG-CG 4.12Å; E255-I276 HydrophobicContact CB-CB 4.22Å; E255-I276 HydrophobicContact CB-CG1 4.04Å; E255-I276 HydrophobicContact CB-CG2 4.4Å; E255-I276 WeakPolarHBondContact O-CD1 3.49Å
256	S	98.7	Very high	98.6	Very high	54 Å²	54	40.1 Å²	40.1	38%	0.378	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	148.7	-179	62.6	0	0	0	0	113.4	V269 Y270	S256-V269 WeakPolarHBondContact CA-O 3.44Å; S256-Y270 VanDerWaalsContact CB-CE1 3.44Å
257	V	98.8	Very high	98.6	Very high	40 Å²	40	40.1 Å²	40.1	24%	0.242	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	144.4	164.2	-70.3	0	0	0	0	108.8	S268 V269 I276 A279 L283	V257-S268 CarbonylContact O-C 3.23Å; V257-S268 WeakPolarHBondContact O-CA 3.45Å; V257-V269 HydrophobicContact CG2-CB 4.17Å; V257-V269 PolarHBondContact N-O 3.16Å; V257-V269 VanDerWaalsContact N-O 3.12Å; V257-V269 PolarHBondContact O-N 3.07Å; V257-I276 HydrophobicContact CG1-CG1 4.18Å; V257-I276 HydrophobicContact CG2-CD1 4.35Å; V257-A279 HydrophobicContact CG2-CB 3.66Å; V257-L283 HydrophobicContact CB-CD2 4.09Å; V257-L283 HydrophobicContact CG2-CD2 3.91Å
258	S	98.8	Very high	98.6	Very high	55 Å²	55	40.2 Å²	40.2	39%	0.385	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	151.1	-175.3	-56.6	0	0	0	0	113.1	K266 V267 S268	S258-K266 VanDerWaalsContact OG-CE 3.27Å; S258-K266 WeakPolarHBondContact OG-CE 3.19Å; S258-V267 CarbonylContact C-O 3.54Å; S258-V267 WeakPolarHBondContact CA-O 3.4Å; S258-V267 WeakPolarHBondContact CB-O 3.3Å; S258-S268 WeakPolarHBondContact OG-CB 3.42Å; S258-S268 PolarHBondContact OG-OG 2.74Å
259	K	98.8	Very high	98.6	Very high	86 Å²	86	40.2 Å²	40.2	37%	0.374	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	159.5	172.3	-168.9	170.9	-176.3	-173.4	0	108.9	V267 L283 D284 V287	K259-V267 PolarHBondContact N-O 3.23Å; K259-V267 PolarHBondContact O-N 3.28Å; K259-V267 VanDerWaalsContact O-O 3.1Å; K259-L283 HydrophobicContact CB-CD1 3.94Å; K259-L283 HydrophobicContact CB-CD2 4.05Å; K259-L283 HydrophobicContact CB-CG 4Å; K259-D284 IonicContact NZ-OD1 3.43Å; K259-D284 PolarHBondContact NZ-OD1 2.9Å; K259-V287 HydrophobicContact CB-CG2 3.96Å; K259-V287 HydrophobicContact CD-CB 4.48Å; K259-V287 HydrophobicContact CD-CG1 4.46Å; K259-V287 HydrophobicContact CD-CG2 4.04Å; K259-V287 HydrophobicContact CG-CG2 4.08Å
260	I	98.7	Very high	98.6	Very high	113 Å²	113	41.3 Å²	41.3	58%	0.579	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.1	-180	-53.9	-178.7	0	0	0	107.9	V265	I260-V265 WeakPolarHBondContact CA-O 3.03Å
261	T	98.6	Very high	98.6	Very high	8 Å²	8	41.3 Å²	41.3	5%	0.049	23%	0.227	C	C	.	.			trans	-70.2	166.6	173.5	65	0	0	0	0	111.5	S263 G264 V265 V267 V287 L290 E291	T261-S263 PolarHBondContact O-N 3.14Å; T261-S263 PolarHBondContact OG1-N 3.05Å; T261-S263 PolarHBondContact OG1-OG 3.49Å; T261-G264 PolarHBondContact O-N 2.75Å; T261-G264 PolarHBondContact OG1-N 3Å; T261-V265 HydrophobicContact CG2-CB 4.16Å; T261-V265 PolarHBondContact N-O 3.36Å; T261-V265 WeakPolarHBondContact OG1-CB 3.4Å; T261-V265 PolarHBondContact OG1-N 3.3Å; T261-V267 HydrophobicContact CG2-CG2 3.85Å; T261-V287 HydrophobicContact CG2-CG1 4.29Å; T261-L290 HydrophobicContact CG2-CD2 4.04Å; T261-E291 VanDerWaalsContact CA-OE1 3.3Å; T261-E291 WeakPolarHBondContact CA-OE1 3.49Å; T261-E291 HydrophobicContact CG2-CG 4.22Å
262	K	97.8	Very high	98.5	Very high	122 Å²	122	41.5 Å²	41.5	53%	0.53	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.7	170.6	73.9	-168.8	-179	-177.3	0	113.6	G264 E291 D295	K262-G264 VanDerWaalsContact C-N 3.31Å; K262-E291 HydrophobicContact CD-CB 4.32Å; K262-E291 HydrophobicContact CD-CG 4.03Å; K262-E291 HydrophobicContact CG-CG 3.95Å; K262-E291 PolarHBondContact N-OE1 3.13Å; K262-D295 WeakPolarHBondContact CE-OD1 3.17Å; K262-D295 IonicContact NZ-OD1 2.79Å; K262-D295 PolarHBondContact NZ-OD1 3.35Å; K262-D295 IonicContact NZ-OD2 3.48Å; K262-D295 PolarHBondContact NZ-OD2 2.6Å
263	S	96.7	Very high	98.5	Very high	59 Å²	59	43.4 Å²	43.4	41%	0.413	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-7.2	176.5	50.6	0	0	0	0	113.3	T261 E294	T261-S263 PolarHBondContact O-N 3.14Å; T261-S263 PolarHBondContact OG1-N 3.05Å; T261-S263 PolarHBondContact OG1-OG 3.49Å; S263-E294 WeakPolarHBondContact CB-OE2 3.41Å; S263-E294 PolarHBondContact OG-OE1 3.28Å; S263-E294 PolarHBondContact OG-OE2 3.41Å
264	G	98.2	Very high	98.5	Very high	52 Å²	52	44.2 Å²	44.2	54%	0.536	25%	0.245	S	C	.	.			trans	92.7	8.6	177.4	0	0	0	0	0	114.9	T261 K262	T261-G264 PolarHBondContact O-N 2.75Å; T261-G264 PolarHBondContact OG1-N 3Å; K262-G264 VanDerWaalsContact C-N 3.31Å
265	V	98.8	Very high	98.5	Very high	8 Å²	8	46.7 Å²	46.7	5%	0.048	26%	0.256	C	S	.	.			trans	-76.5	127.7	177.3	-177.3	0	0	0	0	109.4	I260 T261 V267 L290 Y301 Q306	I260-V265 WeakPolarHBondContact CA-O 3.03Å; T261-V265 HydrophobicContact CG2-CB 4.16Å; T261-V265 PolarHBondContact N-O 3.36Å; T261-V265 WeakPolarHBondContact OG1-CB 3.4Å; T261-V265 PolarHBondContact OG1-N 3.3Å; V265-V267 PolarHBondContact O-N 2.93Å; V265-L290 HydrophobicContact CB-CD2 4.33Å; V265-L290 HydrophobicContact CG1-CD2 4.01Å; V265-Y301 HydrophobicContact CG1-CD1 3.81Å; V265-Y301 HydrophobicContact CG1-CE1 3.95Å; V265-Y301 HydrophobicContact CG2-CD1 3.93Å; V265-Q306 HydrophobicContact CG1-CB 4.5Å
266	K	98.8	Very high	98.5	Very high	100 Å²	100	42.9 Å²	42.9	44%	0.435	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	111.4	173.8	-174.3	-176.6	177	-171.6	0	109.9	S258 P304 K305 Q306	S258-K266 VanDerWaalsContact OG-CE 3.27Å; S258-K266 WeakPolarHBondContact OG-CE 3.19Å; K266-P304 PolarHBondContact N-O 2.92Å; K266-P304 VanDerWaalsContact N-O 3.07Å; K266-K305 HydrophobicContact CB-CB 4.23Å; K266-K305 CarbonylContact O-C 3.59Å; K266-K305 WeakPolarHBondContact O-CA 3.21Å; K266-K305 VanDerWaalsContact O-CB 3.28Å; K266-K305 WeakPolarHBondContact O-CB 3.32Å; K266-Q306 PolarHBondContact O-N 3.48Å
267	V	98.9	Very high	98.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	130.3	173.9	-175.2	0	0	0	0	108.9	S258 K259 T261 V265 L283 A286 V287 L290 Q306 L308	S258-V267 CarbonylContact C-O 3.54Å; S258-V267 WeakPolarHBondContact CA-O 3.4Å; S258-V267 WeakPolarHBondContact CB-O 3.3Å; K259-V267 PolarHBondContact N-O 3.23Å; K259-V267 PolarHBondContact O-N 3.28Å; K259-V267 VanDerWaalsContact O-O 3.1Å; T261-V267 HydrophobicContact CG2-CG2 3.85Å; V265-V267 PolarHBondContact O-N 2.93Å; V267-L283 HydrophobicContact CB-CD1 4.23Å; V267-L283 HydrophobicContact CG1-CD1 3.94Å; V267-L283 WeakPolarHBondContact O-CD1 3.25Å; V267-A286 HydrophobicContact CG1-CB 3.99Å; V267-V287 HydrophobicContact CB-CG2 3.83Å; V267-V287 HydrophobicContact CG1-CG2 4.24Å; V267-V287 HydrophobicContact CG2-CG2 3.85Å; V267-L290 HydrophobicContact CG2-CD2 4.08Å; V267-Q306 CarbonylContact C-O 3.58Å; V267-Q306 VanDerWaalsContact CA-O 3.27Å; V267-Q306 WeakPolarHBondContact CA-O 3.4Å; V267-L308 HydrophobicContact CG1-CD1 3.65Å
268	S	98.9	Very high	98.4	Very high	1 Å²	1	46 Å²	46	1%	0.007	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	140.1	176.2	-40.5	0	0	0	0	111.6	V257 S258 Q306 D307 L308	V257-S268 CarbonylContact O-C 3.23Å; V257-S268 WeakPolarHBondContact O-CA 3.45Å; S258-S268 WeakPolarHBondContact OG-CB 3.42Å; S258-S268 PolarHBondContact OG-OG 2.74Å; S268-Q306 PolarHBondContact N-O 3.43Å; S268-D307 WeakPolarHBondContact CB-OD1 3.33Å; S268-D307 CarbonylContact O-C 3.6Å; S268-D307 VanDerWaalsContact O-CA 3.3Å; S268-D307 WeakPolarHBondContact O-CA 3.42Å; S268-D307 PolarHBondContact OG-OD1 3.35Å; S268-L308 PolarHBondContact O-N 2.9Å
269	V	98.9	Very high	98.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127.3	170	-178.7	0	0	0	0	108.5	S256 V257 A279 A282 L283 L308 L332	S256-V269 WeakPolarHBondContact CA-O 3.44Å; V257-V269 HydrophobicContact CG2-CB 4.17Å; V257-V269 PolarHBondContact N-O 3.16Å; V257-V269 VanDerWaalsContact N-O 3.12Å; V257-V269 PolarHBondContact O-N 3.07Å; V269-A279 HydrophobicContact CB-CB 3.88Å; V269-A279 HydrophobicContact CG1-CB 3.52Å; V269-A282 HydrophobicContact CG2-CB 4.37Å; V269-L283 HydrophobicContact CG2-CB 3.8Å; V269-L283 HydrophobicContact CG2-CD1 4.23Å; V269-L308 CarbonylContact C-O 3.45Å; V269-L308 VanDerWaalsContact CA-O 3.29Å; V269-L308 WeakPolarHBondContact CA-O 3.41Å; V269-L308 HydrophobicContact CG2-CB 4.26Å; V269-L308 HydrophobicContact CG2-CD1 4.47Å; V269-L332 HydrophobicContact CG1-CD2 3.81Å; V269-L332 HydrophobicContact CG1-CG 4.29Å
270	Y	98.9	Very high	98.4	Very high	24 Å²	24	43.6 Å²	43.6	9%	0.094	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	135.7	177.8	-75.7	-94.7	0	0	0	110.6	L214 I216 F254 E255 S256 D307 L308 A310	L214-Y270 HydrophobicContact CD2-CD1 4.24Å; L214-Y270 HydrophobicContact CD2-CE1 3.62Å; I216-Y270 HydrophobicContact CD1-CD1 4.19Å; I216-Y270 HydrophobicContact CD1-CD2 4.12Å; I216-Y270 HydrophobicContact CD1-CE1 4.46Å; I216-Y270 HydrophobicContact CD1-CE2 4.38Å; I216-Y270 HydrophobicContact CD1-CG 4.02Å; I216-Y270 HydrophobicContact CG2-CE1 4.16Å; F254-Y270 HydrophobicContact CB-CD1 4.1Å; E255-Y270 WeakPolarHBondContact O-CA 3.36Å; S256-Y270 VanDerWaalsContact CB-CE1 3.44Å; Y270-D307 HydrophobicContact CD2-CB 4.09Å; Y270-D307 HydrophobicContact CE2-CB 4.04Å; Y270-L308 PolarHBondContact N-O 3.33Å; Y270-A310 PolarHBondContact O-N 3.13Å
271	A	98.8	Very high	98.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	170.2	175.3	0	0	0	0	0	110.8	F254 E255 I276 A310 L333	F254-A271 VanDerWaalsContact CA-O 3.31Å; F254-A271 WeakPolarHBondContact CA-O 3.01Å; F254-A271 VanDerWaalsContact CB-O 3.29Å; F254-A271 WeakPolarHBondContact CB-O 3.25Å; E255-A271 PolarHBondContact N-O 2.9Å; E255-A271 PolarHBondContact O-N 2.93Å; E255-A271 VanDerWaalsContact O-N 3.13Å; A271-I276 HydrophobicContact CB-CD1 4.08Å; A271-A310 HydrophobicContact CB-CB 4.28Å; A271-L333 HydrophobicContact CB-CD1 4.42Å; A271-L333 HydrophobicContact CB-CD2 4.07Å
272	V	98.5	Very high	98.4	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.024	21%	0.211	C	C	.	.			trans	-56.7	143.9	168.1	-63.1	0	0	0	0	110.2	Y167 F254 D274 K275 I276 P312	Y167-V272 HydrophobicContact CD1-CG1 3.58Å; Y167-V272 HydrophobicContact CD2-CB 4.09Å; Y167-V272 HydrophobicContact CD2-CG1 3.72Å; Y167-V272 HydrophobicContact CE1-CG1 3.74Å; Y167-V272 HydrophobicContact CE2-CB 3.98Å; Y167-V272 HydrophobicContact CE2-CG1 3.88Å; Y167-V272 HydrophobicContact CG-CB 4.43Å; Y167-V272 HydrophobicContact CG-CG1 3.57Å; F254-V272 HydrophobicContact CD1-CG1 4.08Å; F254-V272 HydrophobicContact CE1-CG1 3.58Å; V272-D274 PolarHBondContact O-N 3.38Å; V272-K275 HydrophobicContact CG2-CB 3.79Å; V272-K275 HydrophobicContact CG2-CD 3.7Å; V272-K275 HydrophobicContact CG2-CG 3.67Å; V272-K275 PolarHBondContact O-N 3.41Å; V272-I276 PolarHBondContact O-N 2.9Å; V272-P312 HydrophobicContact CG1-CG 4.03Å
273	P	98.3	Very high	98.4	Very high	40 Å²	40	34.1 Å²	34.1	26%	0.26	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-51.1	-39.6	-174.3	-28.3	32.9	0	0	0	113.8	E255 K275 I276	E255-P273 HydrophobicContact CG-CB 4.07Å; E255-P273 HydrophobicContact CG-CG 4.12Å; P273-K275 PolarHBondContact O-N 3.14Å; P273-I276 WeakPolarHBondContact O-CG2 3.48Å
274	D	97.9	Very high	98.5	Very high	49 Å²	49	35 Å²	35	26%	0.262	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-69.8	-14.3	-177.6	-84.6	-38.8	0	0	0	115.5	K170 V272	K170-D274 VanDerWaalsContact CD-OD1 3.3Å; K170-D274 WeakPolarHBondContact CD-OD1 3.13Å; K170-D274 VanDerWaalsContact CE-OD1 3.28Å; K170-D274 WeakPolarHBondContact CE-OD1 3.34Å; K170-D274 PolarHBondContact N-OD2 3.47Å; K170-D274 IonicContact NZ-OD1 3.65Å; K170-D274 PolarHBondContact NZ-OD1 2.84Å; V272-D274 PolarHBondContact O-N 3.38Å
275	K	98.1	Very high	98.6	Very high	64 Å²	64	32.5 Å²	32.5	28%	0.278	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-121	2.2	-175.9	-59.8	-179.4	-175.5	163.4	0	113.7	V272 P273 N277 Q278 E329 L333	V272-K275 HydrophobicContact CG2-CB 3.79Å; V272-K275 HydrophobicContact CG2-CD 3.7Å; V272-K275 HydrophobicContact CG2-CG 3.67Å; V272-K275 PolarHBondContact O-N 3.41Å; P273-K275 PolarHBondContact O-N 3.14Å; K275-N277 PolarHBondContact O-N 2.96Å; K275-N277 VanDerWaalsContact O-N 3.13Å; K275-Q278 WeakPolarHBondContact O-CB 3.25Å; K275-Q278 PolarHBondContact O-N 3.36Å; K275-E329 WeakPolarHBondContact CD-OE1 3.37Å; K275-E329 IonicContact NZ-OE1 3.74Å; K275-E329 PolarHBondContact NZ-OE1 2.96Å; K275-E329 IonicContact NZ-OE2 2.79Å; K275-E329 PolarHBondContact NZ-OE2 2.81Å; K275-L333 HydrophobicContact CB-CD1 3.87Å; K275-L333 HydrophobicContact CD-CD1 3.97Å
276	I	98.3	Very high	98.6	Very high	22 Å²	22	32.2 Å²	32.2	11%	0.113	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-61.5	-25.3	-177.2	-167.6	57	0	0	0	112.9	E255 V257 A271 V272 P273 Q278 A279	E255-I276 HydrophobicContact CB-CB 4.22Å; E255-I276 HydrophobicContact CB-CG1 4.04Å; E255-I276 HydrophobicContact CB-CG2 4.4Å; E255-I276 WeakPolarHBondContact O-CD1 3.49Å; V257-I276 HydrophobicContact CG1-CG1 4.18Å; V257-I276 HydrophobicContact CG2-CD1 4.35Å; A271-I276 HydrophobicContact CB-CD1 4.08Å; V272-I276 PolarHBondContact O-N 2.9Å; P273-I276 WeakPolarHBondContact O-CG2 3.48Å; I276-Q278 PolarHBondContact O-N 2.92Å; I276-A279 HydrophobicContact CD1-CB 4.06Å; I276-A279 WeakPolarHBondContact O-CB 3.41Å; I276-A279 PolarHBondContact O-N 3.26Å; I276-A279 VanDerWaalsContact O-N 3.15Å
277	N	97.7	Very high	98.6	Very high	114 Å²	114	27.7 Å²	27.7	61%	0.61	14%	0.142	S	C	*	.	G	3₁₀ helix	trans	-66.6	-10	173.9	65.9	-20.6	0	0	0	114.6	K275	K275-N277 PolarHBondContact O-N 2.96Å; K275-N277 VanDerWaalsContact O-N 3.13Å
278	Q	98.4	Very high	98.6	Very high	45 Å²	45	30.3 Å²	30.3	21%	0.21	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-94.9	1.3	175.9	-61.6	175.9	26.6	0	0	112.5	K275 I276 L333 F334 D335	K275-Q278 WeakPolarHBondContact O-CB 3.25Å; K275-Q278 PolarHBondContact O-N 3.36Å; I276-Q278 PolarHBondContact O-N 2.92Å; Q278-L333 HydrophobicContact CB-CB 3.91Å; Q278-L333 HydrophobicContact CB-CD2 4.45Å; Q278-F334 WeakPolarHBondContact CA-O 3Å; Q278-F334 WeakPolarHBondContact CB-O 3.5Å; Q278-F334 PolarHBondContact O-N 3.1Å; Q278-D335 HydrophobicContact CG-CB 4.31Å
279	A	98.6	Very high	98.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.			trans	-84.8	-19.3	-173.2	0	0	0	0	0	114.4	V257 V269 I276 Y281 A282 L283	V257-A279 HydrophobicContact CG2-CB 3.66Å; V269-A279 HydrophobicContact CB-CB 3.88Å; V269-A279 HydrophobicContact CG1-CB 3.52Å; I276-A279 HydrophobicContact CD1-CB 4.06Å; I276-A279 WeakPolarHBondContact O-CB 3.41Å; I276-A279 PolarHBondContact O-N 3.26Å; I276-A279 VanDerWaalsContact O-N 3.15Å; A279-Y281 VanDerWaalsContact C-N 3.31Å; A279-Y281 PolarHBondContact O-N 3.47Å; A279-A282 PolarHBondContact O-N 2.97Å; A279-A282 VanDerWaalsContact O-N 3.16Å; A279-L283 PolarHBondContact O-N 3.04Å
280	D	98.6	Very high	98.6	Very high	90 Å²	90	30.3 Å²	30.3	48%	0.481	16%	0.158	S	C	.	.	H	α-helix	trans	-58.5	-40.9	-169.9	-69.8	-17.3	0	0	0	112.9	A282 L283 D284	D280-A282 PolarHBondContact O-N 3.16Å; D280-L283 PolarHBondContact O-N 3.09Å; D280-D284 PolarHBondContact O-N 2.98Å
281	Y	98.6	Very high	98.6	Very high	32 Å²	32	31.3 Å²	31.3	13%	0.125	16%	0.164	C	C	.	.	H	α-helix	trans	-62	-46.8	178.6	179.4	-110.2	0	0	0	112.3	A279 L283 D284 A285 F334 K344 I347 T348	A279-Y281 VanDerWaalsContact C-N 3.31Å; A279-Y281 PolarHBondContact O-N 3.47Å; Y281-L283 VanDerWaalsContact C-N 3.31Å; Y281-L283 PolarHBondContact O-N 3.26Å; Y281-D284 PolarHBondContact O-N 3.15Å; Y281-A285 WeakPolarHBondContact O-CB 3.38Å; Y281-A285 PolarHBondContact O-N 3.09Å; Y281-F334 HydrophobicContact CD1-CB 4.05Å; Y281-F334 HydrophobicContact CD1-CG 4.2Å; Y281-F334 HydrophobicContact CG-CB 4.25Å; Y281-F334 HydrophobicContact CG-CD1 4.24Å; Y281-F334 HydrophobicContact CG-CG 4.27Å; Y281-K344 HydrophobicContact CD1-CG 4.44Å; Y281-K344 HydrophobicContact CE1-CG 3.7Å; Y281-K344 HydrophobicContact CE2-CD 4.42Å; Y281-K344 VanDerWaalsContact CE2-CE 3.45Å; Y281-K344 HydrophobicContact CE2-CG 4.18Å; Y281-K344 WeakPolarHBondContact OH-CG 3.46Å; Y281-I347 HydrophobicContact CD1-CG2 4.03Å; Y281-I347 HydrophobicContact CE1-CB 4.4Å; Y281-I347 HydrophobicContact CE1-CG2 4.1Å; Y281-T348 PolarHBondContact OH-OG1 3.44Å
282	A	98.7	Very high	98.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.3	-35.8	178.5	0	0	0	0	0	111.8	V269 A279 D280 A286 L332 I347	V269-A282 HydrophobicContact CG2-CB 4.37Å; A279-A282 PolarHBondContact O-N 2.97Å; A279-A282 VanDerWaalsContact O-N 3.16Å; D280-A282 PolarHBondContact O-N 3.16Å; A282-A286 WeakPolarHBondContact O-CB 3.31Å; A282-A286 PolarHBondContact O-N 2.97Å; A282-L332 HydrophobicContact CB-CD1 3.56Å; A282-L332 HydrophobicContact CB-CG 3.96Å; A282-L332 VanDerWaalsContact CB-O 3.29Å; A282-L332 WeakPolarHBondContact CB-O 3.5Å; A282-I347 HydrophobicContact CB-CG2 4.47Å
283	L	98.9	Very high	98.6	Very high	13 Å²	13	32.3 Å²	32.3	7%	0.068	17%	0.168	C	C	.	.	H	α-helix	trans	-61.9	-47.4	176.1	179.5	61.4	0	0	0	111.4	V257 K259 V267 V269 A279 D280 Y281 V287	V257-L283 HydrophobicContact CB-CD2 4.09Å; V257-L283 HydrophobicContact CG2-CD2 3.91Å; K259-L283 HydrophobicContact CB-CD1 3.94Å; K259-L283 HydrophobicContact CB-CD2 4.05Å; K259-L283 HydrophobicContact CB-CG 4Å; V267-L283 HydrophobicContact CB-CD1 4.23Å; V267-L283 HydrophobicContact CG1-CD1 3.94Å; V267-L283 WeakPolarHBondContact O-CD1 3.25Å; V269-L283 HydrophobicContact CG2-CB 3.8Å; V269-L283 HydrophobicContact CG2-CD1 4.23Å; A279-L283 PolarHBondContact O-N 3.04Å; D280-L283 PolarHBondContact O-N 3.09Å; Y281-L283 VanDerWaalsContact C-N 3.31Å; Y281-L283 PolarHBondContact O-N 3.26Å; L283-V287 WeakPolarHBondContact O-CG2 3.3Å; L283-V287 PolarHBondContact O-N 2.62Å; L283-V287 VanDerWaalsContact O-N 3.1Å
284	D	98.8	Very high	98.6	Very high	76 Å²	76	31 Å²	31	41%	0.406	16%	0.159	S	C	.	.	H	α-helix	trans	-67.2	-42	178.7	-78.7	-27.2	0	0	0	112.5	K259 D280 Y281 T288	K259-D284 IonicContact NZ-OD1 3.43Å; K259-D284 PolarHBondContact NZ-OD1 2.9Å; D280-D284 PolarHBondContact O-N 2.98Å; Y281-D284 PolarHBondContact O-N 3.15Å; D284-T288 PolarHBondContact O-N 3.48Å; D284-T288 VanDerWaalsContact O-N 3.15Å; D284-T288 PolarHBondContact O-OG1 2.87Å
285	A	98.8	Very high	98.6	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-62.1	-46.7	175.7	0	0	0	0	0	111.1	Y281 V287 T288 L289	Y281-A285 WeakPolarHBondContact O-CB 3.38Å; Y281-A285 PolarHBondContact O-N 3.09Å; A285-V287 PolarHBondContact O-N 2.69Å; A285-T288 PolarHBondContact O-N 2.92Å; A285-L289 HydrophobicContact CB-CD1 4.47Å; A285-L289 VanDerWaalsContact O-CB 3.32Å; A285-L289 WeakPolarHBondContact O-CB 3.31Å; A285-L289 WeakPolarHBondContact O-CD1 3.38Å; A285-L289 VanDerWaalsContact O-CG 3.31Å; A285-L289 WeakPolarHBondContact O-CG 3.39Å; A285-L289 PolarHBondContact O-N 3.39Å
286	A	98.9	Very high	98.6	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.008	16%	0.163	C	C	.	.	H	α-helix	trans	-62.6	-42.3	-179	0	0	0	0	0	112.6	V267 A282 L290 L308 V351 L355	V267-A286 HydrophobicContact CG1-CB 3.99Å; A282-A286 WeakPolarHBondContact O-CB 3.31Å; A282-A286 PolarHBondContact O-N 2.97Å; A286-L290 VanDerWaalsContact O-CB 3.23Å; A286-L290 WeakPolarHBondContact O-CB 3.41Å; A286-L290 PolarHBondContact O-N 2.84Å; A286-L308 HydrophobicContact CB-CD1 3.97Å; A286-L308 HydrophobicContact CB-CD2 3.78Å; A286-V351 HydrophobicContact CB-CG1 3.82Å; A286-L355 HydrophobicContact CB-CD1 4.12Å; A286-L355 WeakPolarHBondContact O-CD1 3.22Å
287	V	98.9	Very high	98.6	Very high	6 Å²	6	30.6 Å²	30.6	4%	0.036	16%	0.157	C	C	.	.	H	α-helix	trans	-61	-48.1	175.5	166.7	0	0	0	0	110.9	K259 T261 V267 L283 A285 L289 L290 E291	K259-V287 HydrophobicContact CB-CG2 3.96Å; K259-V287 HydrophobicContact CD-CB 4.48Å; K259-V287 HydrophobicContact CD-CG1 4.46Å; K259-V287 HydrophobicContact CD-CG2 4.04Å; K259-V287 HydrophobicContact CG-CG2 4.08Å; T261-V287 HydrophobicContact CG2-CG1 4.29Å; V267-V287 HydrophobicContact CB-CG2 3.83Å; V267-V287 HydrophobicContact CG1-CG2 4.24Å; V267-V287 HydrophobicContact CG2-CG2 3.85Å; L283-V287 WeakPolarHBondContact O-CG2 3.3Å; L283-V287 PolarHBondContact O-N 2.62Å; L283-V287 VanDerWaalsContact O-N 3.1Å; A285-V287 PolarHBondContact O-N 2.69Å; V287-L289 PolarHBondContact O-N 3.42Å; V287-L290 PolarHBondContact O-N 2.83Å; V287-E291 VanDerWaalsContact O-CG 3.28Å; V287-E291 WeakPolarHBondContact O-CG 3.04Å; V287-E291 PolarHBondContact O-N 2.93Å; V287-E291 VanDerWaalsContact O-N 3.1Å
288	T	98.8	Very high	98.6	Very high	55 Å²	55	29.3 Å²	29.3	34%	0.337	16%	0.157	S	C	.	.	H	α-helix	trans	-64.2	-42.8	-178.5	-52.4	0	0	0	0	111.8	D284 A285 F292 T390	D284-T288 PolarHBondContact O-N 3.48Å; D284-T288 VanDerWaalsContact O-N 3.15Å; D284-T288 PolarHBondContact O-OG1 2.87Å; A285-T288 PolarHBondContact O-N 2.92Å; T288-F292 WeakPolarHBondContact O-CB 3.28Å; T288-F292 PolarHBondContact O-N 3.24Å; T288-T390 HydrophobicContact CG2-CG2 3.92Å
289	L	98.9	Very high	98.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-69.6	-40.8	179.5	-75.7	162.1	0	0	0	112.2	A285 V287 E291 F292 Y293 V351 A352 L355 V387 T390	A285-L289 HydrophobicContact CB-CD1 4.47Å; A285-L289 VanDerWaalsContact O-CB 3.32Å; A285-L289 WeakPolarHBondContact O-CB 3.31Å; A285-L289 WeakPolarHBondContact O-CD1 3.38Å; A285-L289 VanDerWaalsContact O-CG 3.31Å; A285-L289 WeakPolarHBondContact O-CG 3.39Å; A285-L289 PolarHBondContact O-N 3.39Å; V287-L289 PolarHBondContact O-N 3.42Å; L289-E291 VanDerWaalsContact C-N 3.35Å; L289-E291 PolarHBondContact O-N 2.87Å; L289-F292 WeakPolarHBondContact O-CB 2.97Å; L289-F292 PolarHBondContact O-N 3.44Å; L289-Y293 HydrophobicContact CB-CE2 4.49Å; L289-Y293 WeakPolarHBondContact O-CD2 3.26Å; L289-Y293 PolarHBondContact O-N 2.79Å; L289-V351 HydrophobicContact CD1-CB 4.34Å; L289-V351 HydrophobicContact CD1-CG1 3.88Å; L289-A352 HydrophobicContact CD1-CB 3.88Å; L289-A352 HydrophobicContact CD2-CB 3.87Å; L289-L355 HydrophobicContact CB-CD1 3.76Å; L289-V387 HydrophobicContact CD2-CG2 4.21Å; L289-T390 HydrophobicContact CD2-CG2 4.11Å
290	L	98.9	Very high	98.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-63.2	-43.9	177.4	-171.1	62.7	0	0	0	110.9	T261 V265 V267 A286 V287 F292 Y293 E294 Y301 Q306 L355 W359	T261-L290 HydrophobicContact CG2-CD2 4.04Å; V265-L290 HydrophobicContact CB-CD2 4.33Å; V265-L290 HydrophobicContact CG1-CD2 4.01Å; V267-L290 HydrophobicContact CG2-CD2 4.08Å; A286-L290 VanDerWaalsContact O-CB 3.23Å; A286-L290 WeakPolarHBondContact O-CB 3.41Å; A286-L290 PolarHBondContact O-N 2.84Å; V287-L290 PolarHBondContact O-N 2.83Å; L290-F292 VanDerWaalsContact C-N 3.33Å; L290-F292 PolarHBondContact O-N 3.21Å; L290-Y293 PolarHBondContact O-N 2.92Å; L290-E294 WeakPolarHBondContact O-CG 3.45Å; L290-E294 PolarHBondContact O-N 2.89Å; L290-Y301 HydrophobicContact CD1-CD2 4.14Å; L290-Y301 HydrophobicContact CD1-CG 4.09Å; L290-Q306 HydrophobicContact CD2-CB 4.42Å; L290-L355 HydrophobicContact CB-CD1 4.25Å; L290-L355 HydrophobicContact CD1-CD2 4.39Å; L290-W359 HydrophobicContact CD1-CH2 3.76Å; L290-W359 HydrophobicContact CD1-CZ3 3.99Å
291	E	98.8	Very high	98.6	Very high	44 Å²	44	28.5 Å²	28.5	21%	0.206	16%	0.159	C	C	.	.	H	α-helix	trans	-62.5	-38.7	174.9	-71.4	179.8	177.6	0	0	112.7	T261 K262 V287 L289 D295	T261-E291 VanDerWaalsContact CA-OE1 3.3Å; T261-E291 WeakPolarHBondContact CA-OE1 3.49Å; T261-E291 HydrophobicContact CG2-CG 4.22Å; K262-E291 HydrophobicContact CD-CB 4.32Å; K262-E291 HydrophobicContact CD-CG 4.03Å; K262-E291 HydrophobicContact CG-CG 3.95Å; K262-E291 PolarHBondContact N-OE1 3.13Å; V287-E291 VanDerWaalsContact O-CG 3.28Å; V287-E291 WeakPolarHBondContact O-CG 3.04Å; V287-E291 PolarHBondContact O-N 2.93Å; V287-E291 VanDerWaalsContact O-N 3.1Å; L289-E291 VanDerWaalsContact C-N 3.35Å; L289-E291 PolarHBondContact O-N 2.87Å; E291-D295 PolarHBondContact O-N 2.83Å
292	F	98.8	Very high	98.6	Very high	25 Å²	25	29.1 Å²	29.1	11%	0.11	17%	0.167	C	C	.	.	H	α-helix	trans	-60.8	-47.3	174.2	169	-90.8	0	0	0	111.3	T288 L289 L290 D295 Y296 V385 S386 V389 T390	T288-F292 WeakPolarHBondContact O-CB 3.28Å; T288-F292 PolarHBondContact O-N 3.24Å; L289-F292 WeakPolarHBondContact O-CB 2.97Å; L289-F292 PolarHBondContact O-N 3.44Å; L290-F292 VanDerWaalsContact C-N 3.33Å; L290-F292 PolarHBondContact O-N 3.21Å; F292-D295 PolarHBondContact O-N 3.41Å; F292-Y296 HydrophobicContact CE1-CD2 4.32Å; F292-Y296 HydrophobicContact CE1-CG 4.11Å; F292-Y296 HydrophobicContact CE2-CD2 4.11Å; F292-Y296 AromaticContact CZ-CD2 3.61Å; F292-Y296 HydrophobicContact CZ-CD2 3.61Å; F292-Y296 HydrophobicContact CZ-CE2 4.29Å; F292-Y296 AromaticContact CZ-CG 3.86Å; F292-Y296 HydrophobicContact CZ-CG 3.86Å; F292-Y296 WeakPolarHBondContact O-CB 3.15Å; F292-Y296 PolarHBondContact O-N 2.72Å; F292-V385 HydrophobicContact CZ-CG1 4.21Å; F292-S386 VanDerWaalsContact CD1-CB 3.49Å; F292-S386 VanDerWaalsContact CE1-CA 3.41Å; F292-S386 VanDerWaalsContact CE1-CB 3.41Å; F292-V389 HydrophobicContact CD2-CB 4.15Å; F292-V389 HydrophobicContact CD2-CG1 3.94Å; F292-V389 HydrophobicContact CE2-CB 3.73Å; F292-V389 HydrophobicContact CE2-CG1 3.79Å; F292-V389 HydrophobicContact CE2-CG2 3.9Å; F292-V389 HydrophobicContact CZ-CG2 4.43Å; F292-T390 HydrophobicContact CB-CG2 3.73Å; F292-T390 HydrophobicContact CD2-CG2 4.23Å; F292-T390 HydrophobicContact CG-CG2 4.01Å
293	Y	98.8	Very high	98.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.8	-39.1	-177.8	-71.9	-52.4	0	0	0	112.6	L289 L290 D295 Y296 F297 A352 L355 A356 W359 M382 S386	L289-Y293 HydrophobicContact CB-CE2 4.49Å; L289-Y293 WeakPolarHBondContact O-CD2 3.26Å; L289-Y293 PolarHBondContact O-N 2.79Å; L290-Y293 PolarHBondContact O-N 2.92Å; Y293-D295 PolarHBondContact O-N 3.01Å; Y293-Y296 PolarHBondContact O-N 2.79Å; Y293-F297 HydrophobicContact CD1-CD2 4.31Å; Y293-F297 AromaticContact CD1-CE2 3.41Å; Y293-F297 HydrophobicContact CD1-CE2 3.41Å; Y293-F297 VanDerWaalsContact CD1-CE2 3.41Å; Y293-F297 AromaticContact CD1-CZ 3.87Å; Y293-F297 HydrophobicContact CD1-CZ 3.87Å; Y293-F297 HydrophobicContact CE1-CE2 4.24Å; Y293-F297 HydrophobicContact CE1-CZ 4.36Å; Y293-F297 AromaticContact CG-CE2 3.99Å; Y293-F297 HydrophobicContact CG-CE2 3.99Å; Y293-F297 WeakPolarHBondContact O-CB 3.42Å; Y293-F297 WeakPolarHBondContact O-CD2 3.49Å; Y293-F297 PolarHBondContact O-N 2.69Å; Y293-A352 WeakPolarHBondContact CE2-O 3.16Å; Y293-A352 PolarHBondContact OH-O 2.92Å; Y293-L355 HydrophobicContact CD2-CB 3.94Å; Y293-L355 HydrophobicContact CE2-CB 3.74Å; Y293-A356 HydrophobicContact CE1-CB 4.27Å; Y293-A356 HydrophobicContact CE2-CB 4.31Å; Y293-W359 VanDerWaalsContact CB-CZ3 3.42Å; Y293-W359 HydrophobicContact CD2-CZ3 4.25Å; Y293-W359 HydrophobicContact CG-CE3 4.45Å; Y293-W359 HydrophobicContact CG-CZ3 4.1Å; Y293-M382 HydrophobicContact CE1-CB 4.09Å; Y293-M382 PolarHBondContact OH-O 2.87Å; Y293-S386 WeakPolarHBondContact OH-CB 3.47Å; Y293-S386 PolarHBondContact OH-OG 3.49Å
294	E	98.5	Very high	98.5	Very high	14 Å²	14	32.3 Å²	32.3	7%	0.065	19%	0.188	C	C	.	.	H	α-helix	trans	-58.8	-46.8	173.8	-70.6	-169.7	115.4	0	0	111.9	S263 L290 S298 I299 P300 Y301 W359	S263-E294 WeakPolarHBondContact CB-OE2 3.41Å; S263-E294 PolarHBondContact OG-OE1 3.28Å; S263-E294 PolarHBondContact OG-OE2 3.41Å; L290-E294 WeakPolarHBondContact O-CG 3.45Å; L290-E294 PolarHBondContact O-N 2.89Å; E294-S298 VanDerWaalsContact O-CA 3.23Å; E294-S298 WeakPolarHBondContact O-CA 3.3Å; E294-S298 PolarHBondContact O-N 3.16Å; E294-I299 PolarHBondContact O-N 3.12Å; E294-P300 WeakPolarHBondContact OE1-CA 3.48Å; E294-Y301 PolarHBondContact OE1-N 3.15Å; E294-W359 HydrophobicContact CG-CH2 4.03Å; E294-W359 HydrophobicContact CG-CZ2 3.91Å
295	D	98.2	Very high	98.6	Very high	94 Å²	94	29.4 Å²	29.4	50%	0.503	17%	0.171	S	C	.	.	H	α-helix	trans	-67.4	-45	178.1	-71.4	-5.1	0	0	0	111.8	K262 E291 F292 Y293 S298	K262-D295 WeakPolarHBondContact CE-OD1 3.17Å; K262-D295 IonicContact NZ-OD1 2.79Å; K262-D295 PolarHBondContact NZ-OD1 3.35Å; K262-D295 IonicContact NZ-OD2 3.48Å; K262-D295 PolarHBondContact NZ-OD2 2.6Å; E291-D295 PolarHBondContact O-N 2.83Å; F292-D295 PolarHBondContact O-N 3.41Å; Y293-D295 PolarHBondContact O-N 3.01Å; D295-S298 PolarHBondContact O-N 2.89Å; D295-S298 PolarHBondContact O-OG 2.94Å
296	Y	98.2	Very high	98.6	Very high	31 Å²	31	29.4 Å²	29.4	12%	0.122	17%	0.171	C	C	.	.	H	α-helix	trans	-66.3	-45.1	-174.9	-171.2	-92.6	0	0	0	110.9	F292 Y293 M382 V385 K458	F292-Y296 HydrophobicContact CE1-CD2 4.32Å; F292-Y296 HydrophobicContact CE1-CG 4.11Å; F292-Y296 HydrophobicContact CE2-CD2 4.11Å; F292-Y296 AromaticContact CZ-CD2 3.61Å; F292-Y296 HydrophobicContact CZ-CD2 3.61Å; F292-Y296 HydrophobicContact CZ-CE2 4.29Å; F292-Y296 AromaticContact CZ-CG 3.86Å; F292-Y296 HydrophobicContact CZ-CG 3.86Å; F292-Y296 WeakPolarHBondContact O-CB 3.15Å; F292-Y296 PolarHBondContact O-N 2.72Å; Y293-Y296 PolarHBondContact O-N 2.79Å; Y296-M382 HydrophobicContact CE1-CE 4.38Å; Y296-V385 HydrophobicContact CE1-CG1 4.49Å; Y296-V385 HydrophobicContact CE2-CG1 4.14Å; Y296-K458 HydrophobicContact CD2-CD 4.28Å; Y296-K458 HydrophobicContact CE1-CD 4.26Å; Y296-K458 HydrophobicContact CE1-CG 3.95Å; Y296-K458 HydrophobicContact CE2-CD 3.8Å; Y296-K458 HydrophobicContact CE2-CG 4.34Å; Y296-K458 WeakPolarHBondContact O-CE 3.35Å; Y296-K458 PolarHBondContact O-NZ 3.13Å
297	F	97.8	Very high	98.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-84.2	-14.5	177.8	-57.4	-50.6	0	0	0	113.3	Y293 I299 W359 F360 M382 I461 V462 L465	Y293-F297 HydrophobicContact CD1-CD2 4.31Å; Y293-F297 AromaticContact CD1-CE2 3.41Å; Y293-F297 HydrophobicContact CD1-CE2 3.41Å; Y293-F297 VanDerWaalsContact CD1-CE2 3.41Å; Y293-F297 AromaticContact CD1-CZ 3.87Å; Y293-F297 HydrophobicContact CD1-CZ 3.87Å; Y293-F297 HydrophobicContact CE1-CE2 4.24Å; Y293-F297 HydrophobicContact CE1-CZ 4.36Å; Y293-F297 AromaticContact CG-CE2 3.99Å; Y293-F297 HydrophobicContact CG-CE2 3.99Å; Y293-F297 WeakPolarHBondContact O-CB 3.42Å; Y293-F297 WeakPolarHBondContact O-CD2 3.49Å; Y293-F297 PolarHBondContact O-N 2.69Å; F297-I299 HydrophobicContact CB-CB 4.35Å; F297-I299 HydrophobicContact CB-CD1 4.44Å; F297-I299 HydrophobicContact CB-CG1 4.5Å; F297-I299 WeakPolarHBondContact O-CG1 3.46Å; F297-I299 PolarHBondContact O-N 3.43Å; F297-W359 HydrophobicContact CD2-CB 4.26Å; F297-W359 AromaticContact CD2-CD1 3.83Å; F297-W359 AromaticContact CD2-CD2 3.72Å; F297-W359 HydrophobicContact CD2-CD2 3.72Å; F297-W359 AromaticContact CD2-CE2 3.94Å; F297-W359 HydrophobicContact CD2-CE3 4.28Å; F297-W359 AromaticContact CD2-CG 3.68Å; F297-W359 HydrophobicContact CD2-CG 3.68Å; F297-W359 AromaticContact CD2-NE1 3.96Å; F297-W359 HydrophobicContact CE2-CB 4.27Å; F297-W359 HydrophobicContact CE2-CD2 4.1Å; F297-W359 HydrophobicContact CE2-CE3 4.29Å; F297-W359 HydrophobicContact CE2-CG 4.09Å; F297-W359 HydrophobicContact CG-CG 4.47Å; F297-F360 AromaticContact CE1-CE2 3.79Å; F297-F360 HydrophobicContact CE1-CE2 3.79Å; F297-F360 HydrophobicContact CE1-CZ 4.21Å; F297-F360 HydrophobicContact CE2-CE2 4.27Å; F297-F360 HydrophobicContact CZ-CD2 4.36Å; F297-F360 AromaticContact CZ-CE2 3.54Å; F297-F360 HydrophobicContact CZ-CE2 3.54Å; F297-F360 HydrophobicContact CZ-CZ 4.4Å; F297-M382 HydrophobicContact CE1-CE 3.85Å; F297-M382 HydrophobicContact CE1-SD 4.18Å; F297-M382 HydrophobicContact CZ-CE 4.02Å; F297-M382 HydrophobicContact CZ-CG 4.32Å; F297-M382 HydrophobicContact CZ-SD 3.83Å; F297-I461 HydrophobicContact CD1-CG2 4.02Å; F297-I461 HydrophobicContact CE1-CG2 3.9Å; F297-V462 WeakPolarHBondContact O-CG1 3.12Å; F297-V462 WeakPolarHBondContact O-CG2 3.47Å; F297-L465 HydrophobicContact CB-CD1 4.25Å; F297-L465 HydrophobicContact CD1-CD1 3.75Å; F297-L465 HydrophobicContact CD2-CD1 4.42Å; F297-L465 HydrophobicContact CE1-CD1 4.25Å; F297-L465 HydrophobicContact CG-CD1 3.88Å
298	S	97.7	Very high	98.6	Very high	87 Å²	87	29.5 Å²	29.5	61%	0.608	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	33.8	-171.7	-58	0	0	0	0	112.2	E294 D295	E294-S298 VanDerWaalsContact O-CA 3.23Å; E294-S298 WeakPolarHBondContact O-CA 3.3Å; E294-S298 PolarHBondContact O-N 3.16Å; D295-S298 PolarHBondContact O-N 2.89Å; D295-S298 PolarHBondContact O-OG 2.94Å
299	I	98.1	Very high	98.6	Very high	20 Å²	20	26.9 Å²	26.9	10%	0.103	16%	0.155	C	C	.	.			trans	-132.1	115	177.7	-62.8	167.7	0	0	0	105.6	E294 F297 W359 L363 L465 Q466	E294-I299 PolarHBondContact O-N 3.12Å; F297-I299 HydrophobicContact CB-CB 4.35Å; F297-I299 HydrophobicContact CB-CD1 4.44Å; F297-I299 HydrophobicContact CB-CG1 4.5Å; F297-I299 WeakPolarHBondContact O-CG1 3.46Å; F297-I299 PolarHBondContact O-N 3.43Å; I299-W359 WeakPolarHBondContact O-CZ2 3.46Å; I299-W359 PolarHBondContact O-NE1 3.3Å; I299-W359 VanDerWaalsContact O-NE1 3.13Å; I299-L363 HydrophobicContact CG2-CD2 3.94Å; I299-L465 HydrophobicContact CD1-CB 3.48Å; I299-L465 VanDerWaalsContact CD1-CB 3.48Å; I299-L465 HydrophobicContact CD1-CD1 4.31Å; I299-Q466 HydrophobicContact CD1-CG 3.83Å; I299-Q466 HydrophobicContact CG1-CG 4.07Å
300	P	98.5	Very high	98.6	Very high	90 Å²	90	26.9 Å²	26.9	58%	0.584	16%	0.155	S	C	*	.			trans	-66.7	152	-178.8	28.9	-34.8	0	0	0	111.2	E294	E294-P300 WeakPolarHBondContact OE1-CA 3.48Å
301	Y	98.8	Very high	98.5	Very high	9 Å²	9	26.8 Å²	26.8	4%	0.035	16%	0.155	C	C	.	.			trans	-67.7	123.1	169.3	176.4	-102.2	0	0	0	108.7	V265 L290 E294 L303 K305 Q306 W322 G323 Q358	V265-Y301 HydrophobicContact CG1-CD1 3.81Å; V265-Y301 HydrophobicContact CG1-CE1 3.95Å; V265-Y301 HydrophobicContact CG2-CD1 3.93Å; L290-Y301 HydrophobicContact CD1-CD2 4.14Å; L290-Y301 HydrophobicContact CD1-CG 4.09Å; E294-Y301 PolarHBondContact OE1-N 3.15Å; Y301-L303 HydrophobicContact CD1-CB 4.4Å; Y301-L303 VanDerWaalsContact CD1-O 3.24Å; Y301-L303 WeakPolarHBondContact CD1-O 3.43Å; Y301-L303 HydrophobicContact CE1-CB 3.56Å; Y301-L303 HydrophobicContact CE1-CG 4.25Å; Y301-L303 WeakPolarHBondContact CE1-O 3.29Å; Y301-L303 PolarHBondContact O-N 2.88Å; Y301-L303 WeakPolarHBondContact OH-CD1 3.18Å; Y301-K305 WeakPolarHBondContact CE1-O 3.37Å; Y301-K305 PolarHBondContact OH-O 3.01Å; Y301-K305 VanDerWaalsContact OH-O 3.09Å; Y301-Q306 HydrophobicContact CE1-CB 4.28Å; Y301-Q306 PolarHBondContact OH-OE1 2.79Å; Y301-W322 AromaticContact CE2-CD1 3.88Å; Y301-W322 AromaticContact CE2-NE1 3.64Å; Y301-G323 WeakPolarHBondContact OH-CA 3.05Å; Y301-G323 PolarHBondContact OH-N 3.05Å; Y301-Q358 HydrophobicContact CD2-CB 4.02Å; Y301-Q358 HydrophobicContact CD2-CG 4.34Å; Y301-Q358 HydrophobicContact CE2-CB 3.97Å; Y301-Q358 HydrophobicContact CE2-CG 3.95Å
302	P	98.4	Very high	98.4	Very high	45 Å²	45	26.1 Å²	26.1	29%	0.292	15%	0.154	S	C	.	.			trans	-82.4	-11.7	-163.6	30.4	-35.8	0	0	0	114.6	W322 Y470	P302-W322 HydrophobicContact CG-CZ2 3.64Å; P302-Y470 WeakPolarHBondContact CB-OH 3.01Å
303	L	98.6	Very high	98.1	Very high	7 Å²	7	27.5 Å²	27.5	4%	0.037	16%	0.163	C	C	.	.	S	Bend	trans	-98.6	150.2	-175.6	-46.5	-171.9	0	0	0	111.5	M219 V240 Y301 K305 W322	M219-L303 HydrophobicContact CE-CD2 4.28Å; M219-L303 HydrophobicContact SD-CD1 3.9Å; M219-L303 HydrophobicContact SD-CD2 3.78Å; M219-L303 HydrophobicContact SD-CG 4.29Å; V240-L303 HydrophobicContact CG1-CD2 3.94Å; V240-L303 HydrophobicContact CG2-CD2 4.09Å; Y301-L303 HydrophobicContact CD1-CB 4.4Å; Y301-L303 VanDerWaalsContact CD1-O 3.24Å; Y301-L303 WeakPolarHBondContact CD1-O 3.43Å; Y301-L303 HydrophobicContact CE1-CB 3.56Å; Y301-L303 HydrophobicContact CE1-CG 4.25Å; Y301-L303 WeakPolarHBondContact CE1-O 3.29Å; Y301-L303 PolarHBondContact O-N 2.88Å; Y301-L303 WeakPolarHBondContact OH-CD1 3.18Å; L303-K305 PolarHBondContact O-N 3.45Å; L303-W322 HydrophobicContact CD1-CB 4.43Å; L303-W322 VanDerWaalsContact CD1-CD1 3.45Å; L303-W322 HydrophobicContact CD1-CG 3.88Å
304	P	98.6	Very high	97.5	Very high	73 Å²	73	27.8 Å²	27.8	47%	0.474	16%	0.164	S	C	.	.	S	Bend	trans	-67.9	-16.7	-178.7	-20.7	33.3	0	0	0	114.6	P220 K266	P220-P304 HydrophobicContact CG-CB 3.97Å; P220-P304 HydrophobicContact CG-CG 4.02Å; K266-P304 PolarHBondContact N-O 2.92Å; K266-P304 VanDerWaalsContact N-O 3.07Å
305	K	98.8	Very high	96.9	Very high	15 Å²	15	32.5 Å²	32.5	7%	0.065	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	157.2	-176.9	67.9	96.7	-179.5	172.8	0	112.6	S217 N218 P220 K266 Y301 L303 D307 G323	S217-K305 PolarHBondContact O-NZ 2.95Å; N218-K305 WeakPolarHBondContact O-CE 3.38Å; N218-K305 PolarHBondContact O-NZ 2.06Å; P220-K305 HydrophobicContact CG-CG 3.84Å; K266-K305 HydrophobicContact CB-CB 4.23Å; K266-K305 CarbonylContact O-C 3.59Å; K266-K305 WeakPolarHBondContact O-CA 3.21Å; K266-K305 VanDerWaalsContact O-CB 3.28Å; K266-K305 WeakPolarHBondContact O-CB 3.32Å; Y301-K305 WeakPolarHBondContact CE1-O 3.37Å; Y301-K305 PolarHBondContact OH-O 3.01Å; Y301-K305 VanDerWaalsContact OH-O 3.09Å; L303-K305 PolarHBondContact O-N 3.45Å; K305-D307 WeakPolarHBondContact CD-OD2 3.14Å; K305-D307 WeakPolarHBondContact CE-OD2 3.31Å; K305-D307 IonicContact NZ-OD2 2.72Å; K305-D307 PolarHBondContact NZ-OD2 2.79Å; K305-G323 PolarHBondContact NZ-O 3.23Å
306	Q	98.9	Very high	96.3	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	114.3	170.8	178.1	60	58	0	0	108.8	V265 K266 V267 S268 L290 Y301 L308 T325 L355	V265-Q306 HydrophobicContact CG1-CB 4.5Å; K266-Q306 PolarHBondContact O-N 3.48Å; V267-Q306 CarbonylContact C-O 3.58Å; V267-Q306 VanDerWaalsContact CA-O 3.27Å; V267-Q306 WeakPolarHBondContact CA-O 3.4Å; S268-Q306 PolarHBondContact N-O 3.43Å; L290-Q306 HydrophobicContact CD2-CB 4.42Å; Y301-Q306 HydrophobicContact CE1-CB 4.28Å; Y301-Q306 PolarHBondContact OH-OE1 2.79Å; Q306-L308 HydrophobicContact CG-CD1 4.34Å; Q306-T325 VanDerWaalsContact NE2-CG2 3.31Å; Q306-T325 PolarHBondContact NE2-OG1 3.4Å; Q306-L355 HydrophobicContact CG-CD2 3.98Å
307	D	98.9	Very high	95.8	Very high	8 Å²	8	30.8 Å²	30.8	4%	0.043	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	141.5	176.4	-64.6	-24.4	0	0	0	110.5	S268 Y270 K305 G323 L324 T325	S268-D307 WeakPolarHBondContact CB-OD1 3.33Å; S268-D307 CarbonylContact O-C 3.6Å; S268-D307 VanDerWaalsContact O-CA 3.3Å; S268-D307 WeakPolarHBondContact O-CA 3.42Å; S268-D307 PolarHBondContact OG-OD1 3.35Å; Y270-D307 HydrophobicContact CD2-CB 4.09Å; Y270-D307 HydrophobicContact CE2-CB 4.04Å; K305-D307 WeakPolarHBondContact CD-OD2 3.14Å; K305-D307 WeakPolarHBondContact CE-OD2 3.31Å; K305-D307 IonicContact NZ-OD2 2.72Å; K305-D307 PolarHBondContact NZ-OD2 2.79Å; D307-G323 PolarHBondContact N-O 2.71Å; D307-L324 HydrophobicContact CB-CD1 3.67Å; D307-L324 CarbonylContact O-C 3.54Å; D307-L324 WeakPolarHBondContact O-CA 3.34Å; D307-T325 PolarHBondContact O-N 2.95Å; D307-T325 PolarHBondContact O-OG1 2.83Å
308	L	98.9	Very high	95.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	109.4	174.4	-61	85.1	0	0	0	108	V267 S268 V269 Y270 A286 Q306 T325 Y327 L332 V351	V267-L308 HydrophobicContact CG1-CD1 3.65Å; S268-L308 PolarHBondContact O-N 2.9Å; V269-L308 CarbonylContact C-O 3.45Å; V269-L308 VanDerWaalsContact CA-O 3.29Å; V269-L308 WeakPolarHBondContact CA-O 3.41Å; V269-L308 HydrophobicContact CG2-CB 4.26Å; V269-L308 HydrophobicContact CG2-CD1 4.47Å; Y270-L308 PolarHBondContact N-O 3.33Å; A286-L308 HydrophobicContact CB-CD1 3.97Å; A286-L308 HydrophobicContact CB-CD2 3.78Å; Q306-L308 HydrophobicContact CG-CD1 4.34Å; L308-T325 CarbonylContact C-O 3.45Å; L308-T325 WeakPolarHBondContact CA-O 3.38Å; L308-Y327 HydrophobicContact CB-CD2 4.26Å; L308-Y327 HydrophobicContact CB-CE2 3.64Å; L308-Y327 HydrophobicContact CD2-CE2 3.96Å; L308-Y327 WeakPolarHBondContact CD2-OH 3.3Å; L308-Y327 HydrophobicContact CG-CE2 3.92Å; L308-L332 HydrophobicContact CB-CD1 4.12Å; L308-L332 HydrophobicContact CB-CD2 4Å; L308-L332 HydrophobicContact CD2-CD1 3.83Å; L308-V351 HydrophobicContact CD2-CG1 4.11Å; L308-V351 HydrophobicContact CD2-CG2 4.18Å
309	A	98.9	Very high	95.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	119.8	-174.4	0	0	0	0	0	112	I250 I311 L324 T325 T326 Y327	I250-A309 HydrophobicContact CD1-CB 3.84Å; A309-I311 HydrophobicContact CB-CD1 4Å; A309-I311 PolarHBondContact O-N 3.25Å; A309-L324 HydrophobicContact CB-CD1 4.26Å; A309-T325 PolarHBondContact N-O 2.81Å; A309-T326 HydrophobicContact CB-CG2 4.47Å; A309-T326 CarbonylContact O-C 3.48Å; A309-T326 WeakPolarHBondContact O-CA 3.36Å; A309-Y327 PolarHBondContact O-N 3.35Å
310	A	98.7	Very high	95.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	108.6	171.8	0	0	0	0	0	110.3	F254 Y270 A271 E329 L332 L333	F254-A310 WeakPolarHBondContact CZ-O 3.35Å; Y270-A310 PolarHBondContact O-N 3.13Å; A271-A310 HydrophobicContact CB-CB 4.28Å; A310-E329 HydrophobicContact CB-CG 4.32Å; A310-L332 HydrophobicContact CB-CD2 3.99Å; A310-L333 HydrophobicContact CB-CD1 4.07Å; A310-L333 HydrophobicContact CB-CD2 4.05Å; A310-L333 HydrophobicContact CB-CG 3.98Å
311	I	98.4	Very high	95.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	127.5	-179.9	-45.2	-57.4	0	0	0	109.7	L177 I250 F254 A309 D313 F314 T326 Y327	L177-I311 HydrophobicContact CD1-CG2 4.37Å; I250-I311 HydrophobicContact CD1-CD1 3.78Å; F254-I311 HydrophobicContact CE2-CD1 4.07Å; F254-I311 HydrophobicContact CZ-CD1 4.46Å; A309-I311 HydrophobicContact CB-CD1 4Å; A309-I311 PolarHBondContact O-N 3.25Å; I311-D313 WeakPolarHBondContact CG2-O 3.47Å; I311-D313 PolarHBondContact O-N 3.05Å; I311-F314 HydrophobicContact CB-CB 4.31Å; I311-F314 HydrophobicContact CB-CD2 4.12Å; I311-F314 HydrophobicContact CG1-CD2 4.17Å; I311-F314 HydrophobicContact CG2-CD2 4.5Å; I311-T326 HydrophobicContact CD1-CG2 4.36Å; I311-T326 HydrophobicContact CG1-CG2 4.3Å; I311-Y327 PolarHBondContact N-O 3.38Å
312	P	96.8	Very high	95.8	Very high	30 Å²	30	21.8 Å²	21.8	20%	0.195	14%	0.135	C	C	.	.	S	Bend	trans	-59.1	-43.1	179.7	-26.9	35	0	0	0	113.8	T166 Y167 L177 V272	T166-P312 WeakPolarHBondContact O-CB 3.49Å; Y167-P312 HydrophobicContact CD1-CG 4.36Å; Y167-P312 HydrophobicContact CG-CG 4.48Å; L177-P312 HydrophobicContact CD2-CG 4.05Å; V272-P312 HydrophobicContact CG1-CG 4.03Å
313	D	90.8	Very high	95.8	Very high	53 Å²	53	19.7 Å²	19.7	28%	0.283	12%	0.121	S	C	.	.	S	Bend	trans	-113.1	108.6	177.6	-54.4	-68.8	0	0	0	110.2	F159 Y163 S165 T166 I311	F159-D313 HydrophobicContact CD1-CB 4.34Å; F159-D313 HydrophobicContact CE1-CB 4.06Å; Y163-D313 WeakPolarHBondContact CE2-O 3.45Å; Y163-D313 PolarHBondContact OH-O 3.03Å; S165-D313 VanDerWaalsContact CA-OD2 3.3Å; S165-D313 WeakPolarHBondContact CA-OD2 3.21Å; S165-D313 WeakPolarHBondContact CB-OD2 3.16Å; S165-D313 WeakPolarHBondContact OG-CB 3.36Å; S165-D313 PolarHBondContact OG-N 3.43Å; S165-D313 VanDerWaalsContact OG-N 3.16Å; S165-D313 PolarHBondContact OG-OD2 2.85Å; T166-D313 PolarHBondContact N-OD2 2.84Å; I311-D313 WeakPolarHBondContact CG2-O 3.47Å; I311-D313 PolarHBondContact O-N 3.05Å
314	F	88.1	Confident	95.8	Very high	6 Å²	6	19.3 Å²	19.3	3%	0.026	12%	0.119	C	C	.	.			trans	-146.1	137.8	-176.8	-159.6	-102.6	0	0	0	110.5	Y163 I311 S316 M319 T326 R328	Y163-F314 WeakPolarHBondContact OH-CD2 3.39Å; I311-F314 HydrophobicContact CB-CB 4.31Å; I311-F314 HydrophobicContact CB-CD2 4.12Å; I311-F314 HydrophobicContact CG1-CD2 4.17Å; I311-F314 HydrophobicContact CG2-CD2 4.5Å; F314-S316 WeakPolarHBondContact CD1-O 3.38Å; F314-S316 WeakPolarHBondContact CE1-OG 3.36Å; F314-M319 HydrophobicContact CZ-CB 3.77Å; F314-T326 WeakPolarHBondContact CE2-OG1 3.45Å; F314-T326 VanDerWaalsContact CZ-OG1 3.29Å; F314-T326 WeakPolarHBondContact CZ-OG1 3.33Å; F314-R328 HydrophobicContact CB-CG 3.78Å; F314-R328 HydrophobicContact CD1-CG 4.09Å; F314-R328 HydrophobicContact CG-CG 4.42Å; F314-R328 PolarHBondContact O-NE 3.05Å; F314-R328 VanDerWaalsContact O-NE 3.09Å; F314-R328 PolarHBondContact O-NH1 3.1Å; F314-R328 PolarHBondContact O-NH2 2.69Å
315	Q	85.4	Confident	95.8	Very high	114 Å²	114	15.9 Å²	15.9	53%	0.533	10%	0.096	S	C	.	.	S	Bend	trans	-85.2	-47.9	-172.3	174	175	-6.2	0	0	113.7	F159 R328	F159-Q315 HydrophobicContact CB-CB 3.45Å; F159-Q315 VanDerWaalsContact CB-CB 3.45Å; F159-Q315 HydrophobicContact CB-CG 4.5Å; F159-Q315 HydrophobicContact CD2-CB 3.98Å; F159-Q315 HydrophobicContact CD2-CG 4.49Å; F159-Q315 HydrophobicContact CG-CB 3.89Å; Q315-R328 PolarHBondContact O-NH2 2.82Å
316	S	85.8	Confident	95.8	Very high	49 Å²	49	15.1 Å²	15.1	34%	0.343	9%	0.093	S	C	.	.	S	Bend	trans	-84.1	-171.2	177.3	52.2	0	0	0	0	110.8	F314 A318 R328	F314-S316 WeakPolarHBondContact CD1-O 3.38Å; F314-S316 WeakPolarHBondContact CE1-OG 3.36Å; S316-A318 PolarHBondContact OG-O 3Å; S316-R328 WeakPolarHBondContact O-CD 3.29Å; S316-R328 VanDerWaalsContact O-CG 3.3Å; S316-R328 WeakPolarHBondContact O-CG 3.45Å; S316-R328 PolarHBondContact O-NE 3.5Å
317	G	87	Confident	95.8	Very high	39 Å²	39	15.1 Å²	15.1	40%	0.402	9%	0.093	S	C	.	.	S	Bend	trans	-71.6	-49.6	170.8	0	0	0	0	0	111.7	R328	G317-R328 PolarHBondContact O-N 3.25Å
318	A	96.8	Very high	95.8	Very high	13 Å²	13	19.9 Å²	19.9	11%	0.107	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	-176.8	178.2	0	0	0	0	0	110.6	S316 T326 Y327 T350 E354	S316-A318 PolarHBondContact OG-O 3Å; A318-T326 CarbonylContact C-O 3.54Å; A318-T326 WeakPolarHBondContact CA-O 3.45Å; A318-T326 WeakPolarHBondContact CB-O 3.39Å; A318-Y327 HydrophobicContact CB-CD1 3.47Å; A318-Y327 VanDerWaalsContact CB-CD1 3.47Å; A318-Y327 HydrophobicContact CB-CE1 3.86Å; A318-Y327 HydrophobicContact CB-CG 3.98Å; A318-T350 HydrophobicContact CB-CG2 3.62Å; A318-E354 VanDerWaalsContact CB-CD 3.4Å; A318-E354 HydrophobicContact CB-CG 3.65Å; A318-E354 VanDerWaalsContact CB-OE1 3.24Å; A318-E354 WeakPolarHBondContact CB-OE1 3.34Å
319	M	98.1	Very high	95.7	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	138.1	176.6	173.9	73.2	-144.4	0	0	110.2	Q181 E183 Y245 L246 F314 N321 T325 T326 E354	Q181-M319 PolarHBondContact NE2-SD 3.35Å; E183-M319 HydrophobicContact CB-CE 3.68Å; E183-M319 HydrophobicContact CB-SD 3.52Å; E183-M319 VanDerWaalsContact CB-SD 3.52Å; E183-M319 HydrophobicContact CG-CE 4.41Å; E183-M319 HydrophobicContact CG-SD 4.5Å; Y245-M319 HydrophobicContact CD2-CE 3.66Å; Y245-M319 HydrophobicContact CE2-CE 3.81Å; L246-M319 HydrophobicContact CD2-CE 4.04Å; F314-M319 HydrophobicContact CZ-CB 3.77Å; M319-N321 VanDerWaalsContact C-N 3.3Å; M319-N321 WeakPolarHBondContact CG-OD1 3.48Å; M319-N321 PolarHBondContact O-N 3.19Å; M319-N321 VanDerWaalsContact O-N 3.16Å; M319-T325 CarbonylContact O-C 3.55Å; M319-T325 VanDerWaalsContact O-CA 3.31Å; M319-T325 WeakPolarHBondContact O-CA 3.33Å; M319-T326 PolarHBondContact N-O 3.42Å; M319-T326 PolarHBondContact O-N 2.85Å; M319-E354 WeakPolarHBondContact CA-OE2 3.36Å; M319-E354 PolarHBondContact N-OE2 3.3Å
320	E	98.3	Very high	95.6	Very high	3 Å²	3	26 Å²	26	1%	0.014	15%	0.149	C	C	.	.			trans	-87	16.9	-162.7	73.8	-95.9	-149.9	0	0	115.7	L246 W322 E354 H357 Q358 N362	L246-E320 HydrophobicContact CD2-CG 3.79Å; E320-W322 PolarHBondContact O-N 2.86Å; E320-W322 VanDerWaalsContact O-N 3.16Å; E320-E354 VanDerWaalsContact CA-OE2 3.26Å; E320-E354 WeakPolarHBondContact CA-OE2 3.43Å; E320-E354 PolarHBondContact N-OE2 2.89Å; E320-H357 HydrophobicContact CB-CB 3.33Å; E320-H357 HydrophobicContact CG-CB 3.59Å; E320-H357 IonicContact OE1-ND1 2.78Å; E320-Q358 PolarHBondContact O-NE2 3.02Å; E320-Q358 VanDerWaalsContact O-NE2 3.07Å; E320-N362 WeakPolarHBondContact CG-OD1 3.49Å; E320-N362 PolarHBondContact O-ND2 2.9Å
321	N	98.7	Very high	95.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.153	C	C	.	.			trans	-45.5	125.8	-168.2	-55.1	99.2	0	0	0	111.5	Y245 L246 A248 M319 G323 L324 T325	Y245-N321 PolarHBondContact O-ND2 3.46Å; L246-N321 WeakPolarHBondContact O-CB 3.37Å; L246-N321 PolarHBondContact O-ND2 3.41Å; A248-N321 HydrophobicContact CB-CB 3.55Å; M319-N321 VanDerWaalsContact C-N 3.3Å; M319-N321 WeakPolarHBondContact CG-OD1 3.48Å; M319-N321 PolarHBondContact O-N 3.19Å; M319-N321 VanDerWaalsContact O-N 3.16Å; N321-G323 PolarHBondContact O-N 2.88Å; N321-L324 WeakPolarHBondContact CB-O 3.32Å; N321-L324 CarbonylContact O-C 3.58Å; N321-L324 PolarHBondContact O-N 2.7Å; N321-T325 PolarHBondContact O-N 2.96Å
322	W	98.7	Very high	95.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	115	-164.1	-154	-12.5	0	0	0	111.7	N218 V240 M242 Y301 P302 L303 E320 L324 N362 L363 Y470	N218-W322 WeakPolarHBondContact CA-O 3.41Å; N218-W322 WeakPolarHBondContact CB-O 3.2Å; N218-W322 PolarHBondContact ND2-O 3.03Å; V240-W322 HydrophobicContact CG2-CD2 4.22Å; V240-W322 HydrophobicContact CG2-CE3 3.85Å; V240-W322 HydrophobicContact CG2-CH2 3.67Å; V240-W322 HydrophobicContact CG2-CZ2 4.09Å; V240-W322 HydrophobicContact CG2-CZ3 3.56Å; M242-W322 HydrophobicContact CB-CE3 3.64Å; M242-W322 HydrophobicContact CB-CZ3 3.87Å; M242-W322 HydrophobicContact SD-CB 4.24Å; M242-W322 HydrophobicContact SD-CE3 4.3Å; Y301-W322 AromaticContact CE2-CD1 3.88Å; Y301-W322 AromaticContact CE2-NE1 3.64Å; P302-W322 HydrophobicContact CG-CZ2 3.64Å; L303-W322 HydrophobicContact CD1-CB 4.43Å; L303-W322 VanDerWaalsContact CD1-CD1 3.45Å; L303-W322 HydrophobicContact CD1-CG 3.88Å; E320-W322 PolarHBondContact O-N 2.86Å; E320-W322 VanDerWaalsContact O-N 3.16Å; W322-L324 VanDerWaalsContact C-N 3.29Å; W322-L324 PolarHBondContact O-N 3.37Å; W322-N362 WeakPolarHBondContact CA-ND2 3.17Å; W322-N362 HydrophobicContact CB-CB 4.48Å; W322-N362 WeakPolarHBondContact CB-ND2 3.16Å; W322-N362 HydrophobicContact CD2-CB 3.58Å; W322-N362 HydrophobicContact CE3-CB 3.67Å; W322-N362 HydrophobicContact CG-CB 3.97Å; W322-N362 HydrophobicContact CH2-CB 4.3Å; W322-N362 HydrophobicContact CZ2-CB 4.18Å; W322-N362 VanDerWaalsContact CZ3-C 3.49Å; W322-N362 HydrophobicContact CZ3-CB 4.04Å; W322-N362 VanDerWaalsContact CZ3-O 3.27Å; W322-N362 WeakPolarHBondContact CZ3-O 3.21Å; W322-L363 HydrophobicContact CH2-CB 4.17Å; W322-L363 HydrophobicContact CH2-CD1 4.2Å; W322-L363 HydrophobicContact CZ2-CB 4.26Å; W322-L363 HydrophobicContact CZ2-CD1 4.47Å; W322-Y470 HydrophobicContact CH2-CD1 4.03Å; W322-Y470 AromaticContact CH2-CE1 3.8Å; W322-Y470 HydrophobicContact CH2-CE1 3.8Å; W322-Y470 HydrophobicContact CZ2-CE1 4.44Å
323	G	98.7	Very high	95.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	80	-4.6	-175.9	0	0	0	0	0	116.2	Y301 K305 D307 N321	Y301-G323 WeakPolarHBondContact OH-CA 3.05Å; Y301-G323 PolarHBondContact OH-N 3.05Å; K305-G323 PolarHBondContact NZ-O 3.23Å; D307-G323 PolarHBondContact N-O 2.71Å; N321-G323 PolarHBondContact O-N 2.88Å
324	L	98.9	Very high	96.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	62.6	176	-177.7	55.8	0	0	0	111.1	I216 A248 I250 D307 A309 N321 W322	I216-L324 HydrophobicContact CB-CD2 4.45Å; I216-L324 HydrophobicContact CD1-CD1 3.61Å; I216-L324 HydrophobicContact CD1-CD2 4.46Å; I216-L324 HydrophobicContact CG1-CD1 4.04Å; I216-L324 HydrophobicContact CG1-CD2 4Å; A248-L324 HydrophobicContact CB-CB 4.44Å; A248-L324 HydrophobicContact CB-CD2 4.12Å; A248-L324 HydrophobicContact CB-CG 4.44Å; I250-L324 HydrophobicContact CD1-CD1 4.21Å; I250-L324 HydrophobicContact CD1-CD2 4.09Å; I250-L324 HydrophobicContact CD1-CG 4.28Å; I250-L324 HydrophobicContact CG1-CD2 4.21Å; D307-L324 HydrophobicContact CB-CD1 3.67Å; D307-L324 CarbonylContact O-C 3.54Å; D307-L324 WeakPolarHBondContact O-CA 3.34Å; A309-L324 HydrophobicContact CB-CD1 4.26Å; N321-L324 WeakPolarHBondContact CB-O 3.32Å; N321-L324 CarbonylContact O-C 3.58Å; N321-L324 PolarHBondContact O-N 2.7Å; W322-L324 VanDerWaalsContact C-N 3.29Å; W322-L324 PolarHBondContact O-N 3.37Å
325	T	98.9	Very high	96.5	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	138	176.7	50.6	0	0	0	0	110.5	Q306 D307 L308 A309 M319 N321 Y327 E354	Q306-T325 VanDerWaalsContact NE2-CG2 3.31Å; Q306-T325 PolarHBondContact NE2-OG1 3.4Å; D307-T325 PolarHBondContact O-N 2.95Å; D307-T325 PolarHBondContact O-OG1 2.83Å; L308-T325 CarbonylContact C-O 3.45Å; L308-T325 WeakPolarHBondContact CA-O 3.38Å; A309-T325 PolarHBondContact N-O 2.81Å; M319-T325 CarbonylContact O-C 3.55Å; M319-T325 VanDerWaalsContact O-CA 3.31Å; M319-T325 WeakPolarHBondContact O-CA 3.33Å; N321-T325 PolarHBondContact O-N 2.96Å; T325-Y327 VanDerWaalsContact OG1-CE2 3.3Å; T325-Y327 WeakPolarHBondContact OG1-CE2 3.5Å; T325-Y327 PolarHBondContact OG1-OH 3.02Å; T325-E354 HydrophobicContact CG2-CB 4.02Å
326	T	98.7	Very high	97	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	146.7	-177.9	62.3	0	0	0	0	111.2	I250 A309 I311 F314 A318 M319	I250-T326 HydrophobicContact CD1-CG2 3.98Å; A309-T326 HydrophobicContact CB-CG2 4.47Å; A309-T326 CarbonylContact O-C 3.48Å; A309-T326 WeakPolarHBondContact O-CA 3.36Å; I311-T326 HydrophobicContact CD1-CG2 4.36Å; I311-T326 HydrophobicContact CG1-CG2 4.3Å; F314-T326 WeakPolarHBondContact CE2-OG1 3.45Å; F314-T326 VanDerWaalsContact CZ-OG1 3.29Å; F314-T326 WeakPolarHBondContact CZ-OG1 3.33Å; A318-T326 CarbonylContact C-O 3.54Å; A318-T326 WeakPolarHBondContact CA-O 3.45Å; A318-T326 WeakPolarHBondContact CB-O 3.39Å; M319-T326 PolarHBondContact N-O 3.42Å; M319-T326 PolarHBondContact O-N 2.85Å
327	Y	98.8	Very high	97.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	150.7	-171.1	-58.6	-103.7	0	0	0	110.7	L308 A309 I311 A318 T325 L332 T350 V351 E354	L308-Y327 HydrophobicContact CB-CD2 4.26Å; L308-Y327 HydrophobicContact CB-CE2 3.64Å; L308-Y327 HydrophobicContact CD2-CE2 3.96Å; L308-Y327 WeakPolarHBondContact CD2-OH 3.3Å; L308-Y327 HydrophobicContact CG-CE2 3.92Å; A309-Y327 PolarHBondContact O-N 3.35Å; I311-Y327 PolarHBondContact N-O 3.38Å; A318-Y327 HydrophobicContact CB-CD1 3.47Å; A318-Y327 VanDerWaalsContact CB-CD1 3.47Å; A318-Y327 HydrophobicContact CB-CE1 3.86Å; A318-Y327 HydrophobicContact CB-CG 3.98Å; T325-Y327 VanDerWaalsContact OG1-CE2 3.3Å; T325-Y327 WeakPolarHBondContact OG1-CE2 3.5Å; T325-Y327 PolarHBondContact OG1-OH 3.02Å; Y327-L332 HydrophobicContact CD1-CB 4.35Å; Y327-L332 HydrophobicContact CD1-CD1 4.01Å; Y327-L332 HydrophobicContact CD2-CD1 3.96Å; Y327-L332 HydrophobicContact CD2-CD2 3.74Å; Y327-L332 HydrophobicContact CD2-CG 4.31Å; Y327-L332 HydrophobicContact CE1-CD1 4.11Å; Y327-L332 HydrophobicContact CE2-CD1 4.07Å; Y327-L332 HydrophobicContact CE2-CD2 4.39Å; Y327-L332 HydrophobicContact CG-CB 4Å; Y327-L332 HydrophobicContact CG-CD1 3.96Å; Y327-L332 HydrophobicContact CG-CD2 4.05Å; Y327-L332 HydrophobicContact CG-CG 4.24Å; Y327-T350 HydrophobicContact CD1-CG2 3.89Å; Y327-T350 HydrophobicContact CE1-CG2 3.97Å; Y327-V351 HydrophobicContact CE1-CG2 4.19Å; Y327-E354 HydrophobicContact CD1-CG 4.37Å; Y327-E354 HydrophobicContact CE1-CB 4.23Å; Y327-E354 HydrophobicContact CE1-CG 3.43Å; Y327-E354 VanDerWaalsContact CE1-CG 3.43Å; Y327-E354 WeakPolarHBondContact OH-CB 3.12Å; Y327-E354 WeakPolarHBondContact OH-CG 3.33Å
328	R	97.9	Very high	98	Very high	108 Å²	108	37 Å²	37	41%	0.408	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	145.7	153.6	-78.9	178.3	-176.9	-104	6.9	109.3	F314 Q315 S316 G317 S330 A331 L332	F314-R328 HydrophobicContact CB-CG 3.78Å; F314-R328 HydrophobicContact CD1-CG 4.09Å; F314-R328 HydrophobicContact CG-CG 4.42Å; F314-R328 PolarHBondContact O-NE 3.05Å; F314-R328 VanDerWaalsContact O-NE 3.09Å; F314-R328 PolarHBondContact O-NH1 3.1Å; F314-R328 PolarHBondContact O-NH2 2.69Å; Q315-R328 PolarHBondContact O-NH2 2.82Å; S316-R328 WeakPolarHBondContact O-CD 3.29Å; S316-R328 VanDerWaalsContact O-CG 3.3Å; S316-R328 WeakPolarHBondContact O-CG 3.45Å; S316-R328 PolarHBondContact O-NE 3.5Å; G317-R328 PolarHBondContact O-N 3.25Å; R328-S330 PolarHBondContact O-N 3.49Å; R328-A331 HydrophobicContact CB-CB 4.31Å; R328-A331 PolarHBondContact O-N 3.14Å; R328-L332 PolarHBondContact O-N 3.33Å
329	E	98.1	Very high	98	Very high	41 Å²	41	38 Å²	38	19%	0.192	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-52.5	-40.8	173.7	-66.4	-176.1	144.7	0	0	112.6	K275 A310 A331 L332 L333	K275-E329 WeakPolarHBondContact CD-OE1 3.37Å; K275-E329 IonicContact NZ-OE1 3.74Å; K275-E329 PolarHBondContact NZ-OE1 2.96Å; K275-E329 IonicContact NZ-OE2 2.79Å; K275-E329 PolarHBondContact NZ-OE2 2.81Å; A310-E329 HydrophobicContact CB-CG 4.32Å; E329-A331 PolarHBondContact O-N 2.85Å; E329-L332 PolarHBondContact O-N 3.29Å; E329-L333 HydrophobicContact CB-CD1 4.05Å; E329-L333 HydrophobicContact CG-CD1 4.17Å; E329-L333 WeakPolarHBondContact O-CB 3.4Å; E329-L333 PolarHBondContact O-N 3.26Å
330	S	97.3	Very high	98	Very high	88 Å²	88	40.6 Å²	40.6	62%	0.615	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-66.7	-16.5	178.7	59.4	0	0	0	0	114.7	R328	R328-S330 PolarHBondContact O-N 3.49Å
331	A	97.8	Very high	97.8	Very high	11 Å²	11	44.4 Å²	44.4	9%	0.091	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-99.7	-2.5	-179.3	0	0	0	0	0	112.9	R328 E329 T350	R328-A331 HydrophobicContact CB-CB 4.31Å; R328-A331 PolarHBondContact O-N 3.14Å; E329-A331 PolarHBondContact O-N 2.85Å; A331-T350 HydrophobicContact CB-CG2 4.16Å
332	L	98.6	Very high	97.7	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.5	-37.1	-178.9	-164.5	67.4	0	0	0	113.8	V269 A282 L308 A310 Y327 R328 E329 V351	V269-L332 HydrophobicContact CG1-CD2 3.81Å; V269-L332 HydrophobicContact CG1-CG 4.29Å; A282-L332 HydrophobicContact CB-CD1 3.56Å; A282-L332 HydrophobicContact CB-CG 3.96Å; A282-L332 VanDerWaalsContact CB-O 3.29Å; A282-L332 WeakPolarHBondContact CB-O 3.5Å; L308-L332 HydrophobicContact CB-CD1 4.12Å; L308-L332 HydrophobicContact CB-CD2 4Å; L308-L332 HydrophobicContact CD2-CD1 3.83Å; A310-L332 HydrophobicContact CB-CD2 3.99Å; Y327-L332 HydrophobicContact CD1-CB 4.35Å; Y327-L332 HydrophobicContact CD1-CD1 4.01Å; Y327-L332 HydrophobicContact CD2-CD1 3.96Å; Y327-L332 HydrophobicContact CD2-CD2 3.74Å; Y327-L332 HydrophobicContact CD2-CG 4.31Å; Y327-L332 HydrophobicContact CE1-CD1 4.11Å; Y327-L332 HydrophobicContact CE2-CD1 4.07Å; Y327-L332 HydrophobicContact CE2-CD2 4.39Å; Y327-L332 HydrophobicContact CG-CB 4Å; Y327-L332 HydrophobicContact CG-CD1 3.96Å; Y327-L332 HydrophobicContact CG-CD2 4.05Å; Y327-L332 HydrophobicContact CG-CG 4.24Å; R328-L332 PolarHBondContact O-N 3.33Å; E329-L332 PolarHBondContact O-N 3.29Å; L332-V351 HydrophobicContact CD1-CG2 3.84Å
333	L	98.5	Very high	97.6	Very high	9 Å²	9	49.6 Å²	49.6	5%	0.047	29%	0.288	C	S	.	.			trans	-91.8	129.1	-172.1	-56.5	-176.8	0	0	0	111.5	A271 K275 Q278 A310 E329 I347	A271-L333 HydrophobicContact CB-CD1 4.42Å; A271-L333 HydrophobicContact CB-CD2 4.07Å; K275-L333 HydrophobicContact CB-CD1 3.87Å; K275-L333 HydrophobicContact CD-CD1 3.97Å; Q278-L333 HydrophobicContact CB-CB 3.91Å; Q278-L333 HydrophobicContact CB-CD2 4.45Å; A310-L333 HydrophobicContact CB-CD1 4.07Å; A310-L333 HydrophobicContact CB-CD2 4.05Å; A310-L333 HydrophobicContact CB-CG 3.98Å; E329-L333 HydrophobicContact CB-CD1 4.05Å; E329-L333 HydrophobicContact CG-CD1 4.17Å; E329-L333 WeakPolarHBondContact O-CB 3.4Å; E329-L333 PolarHBondContact O-N 3.26Å; L333-I347 WeakPolarHBondContact O-CD1 3.38Å
334	F	98.5	Very high	97.6	Very high	36 Å²	36	52.4 Å²	52.4	16%	0.158	30%	0.3	C	S	.	.			trans	-120.4	119.8	-178.6	-179.1	-101.3	0	0	0	111.3	Q278 Y281 A336 S339 K344 I347	Q278-F334 WeakPolarHBondContact CA-O 3Å; Q278-F334 WeakPolarHBondContact CB-O 3.5Å; Q278-F334 PolarHBondContact O-N 3.1Å; Y281-F334 HydrophobicContact CD1-CB 4.05Å; Y281-F334 HydrophobicContact CD1-CG 4.2Å; Y281-F334 HydrophobicContact CG-CB 4.25Å; Y281-F334 HydrophobicContact CG-CD1 4.24Å; Y281-F334 HydrophobicContact CG-CG 4.27Å; F334-A336 HydrophobicContact CE1-CB 4.13Å; F334-S339 VanDerWaalsContact CD2-CB 3.41Å; F334-K344 HydrophobicContact CD2-CB 4.11Å; F334-K344 HydrophobicContact CD2-CG 4.3Å; F334-K344 HydrophobicContact CE2-CB 3.66Å; F334-K344 HydrophobicContact CE2-CD 4.3Å; F334-K344 HydrophobicContact CE2-CG 3.94Å; F334-K344 HydrophobicContact CZ-CB 4.42Å; F334-K344 HydrophobicContact CZ-CD 4.26Å; F334-K344 HydrophobicContact CZ-CG 4.35Å; F334-I347 HydrophobicContact CB-CD1 3.84Å; F334-I347 HydrophobicContact CD2-CD1 4.22Å
335	D	97.9	Very high	97.5	Very high	32 Å²	32	54.3 Å²	54.3	17%	0.171	31%	0.31	C	S	.	.			trans	-101.5	113.5	172.8	-178	-28.2	0	0	0	108.9	Q278 E337 K338 S339	Q278-D335 HydrophobicContact CG-CB 4.31Å; D335-E337 PolarHBondContact O-N 3.43Å; D335-E337 VanDerWaalsContact O-N 3.12Å; D335-E337 PolarHBondContact OD1-N 2.92Å; D335-K338 HydrophobicContact CB-CB 4.26Å; D335-K338 PolarHBondContact O-N 2.53Å; D335-K338 VanDerWaalsContact O-N 3.15Å; D335-K338 PolarHBondContact OD1-N 3.29Å; D335-K338 WeakPolarHBondContact OD2-CD 3.4Å; D335-K338 IonicContact OD2-NZ 3.4Å; D335-S339 PolarHBondContact N-OG 2.66Å; D335-S339 WeakPolarHBondContact O-CB 3.4Å; D335-S339 PolarHBondContact O-N 2.79Å; D335-S339 PolarHBondContact O-OG 2.88Å
336	A	95.9	Very high	97.5	Very high	86 Å²	86	55.8 Å²	55.8	71%	0.711	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.5	-175.9	0	0	0	0	0	114.5	F334	F334-A336 HydrophobicContact CE1-CB 4.13Å
337	E	96.5	Very high	97.4	Very high	181 Å²	181	55.8 Å²	55.8	85%	0.846	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-25.2	179	-62.8	-170.9	161.7	0	0	112.9	D335	D335-E337 PolarHBondContact O-N 3.43Å; D335-E337 VanDerWaalsContact O-N 3.12Å; D335-E337 PolarHBondContact OD1-N 2.92Å
338	K	96.7	Very high	97.4	Very high	167 Å²	167	55.8 Å²	55.8	73%	0.726	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.4	-29.8	-168.5	-61.2	179.9	-168.3	153.5	0	114.7	D335	D335-K338 HydrophobicContact CB-CB 4.26Å; D335-K338 PolarHBondContact O-N 2.53Å; D335-K338 VanDerWaalsContact O-N 3.15Å; D335-K338 PolarHBondContact OD1-N 3.29Å; D335-K338 WeakPolarHBondContact OD2-CD 3.4Å; D335-K338 IonicContact OD2-NZ 3.4Å
339	S	96.5	Very high	97.5	Very high	33 Å²	33	51.6 Å²	51.6	23%	0.231	31%	0.31	C	S	.	.			trans	-71.8	133.9	-178.6	-68.3	0	0	0	0	110.8	F334 D335	F334-S339 VanDerWaalsContact CD2-CB 3.41Å; D335-S339 PolarHBondContact N-OG 2.66Å; D335-S339 WeakPolarHBondContact O-CB 3.4Å; D335-S339 PolarHBondContact O-N 2.79Å; D335-S339 PolarHBondContact O-OG 2.88Å
340	S	97.3	Very high	97.5	Very high	58 Å²	58	51.2 Å²	51.2	41%	0.406	31%	0.311	S	S	.	.			trans	-73.9	163.8	176.5	65.3	0	0	0	0	111.9	S342 S343 K344	S340-S342 PolarHBondContact O-N 2.96Å; S340-S342 PolarHBondContact OG-OG 2.82Å; S340-S343 WeakPolarHBondContact O-CB 3.47Å; S340-S343 PolarHBondContact O-N 3.12Å; S340-S343 VanDerWaalsContact O-N 3.12Å; S340-S343 WeakPolarHBondContact OG-CB 3.45Å; S340-S343 PolarHBondContact OG-N 2.86Å; S340-K344 PolarHBondContact O-N 2.96Å
341	A	95.8	Very high	97.6	Very high	83 Å²	83	47 Å²	47	69%	0.686	28%	0.282	S	S	*	.	H	α-helix	trans	-58.5	-36.5	170.3	0	0	0	0	0	112.3	K344 L345	A341-K344 PolarHBondContact O-N 3.27Å; A341-L345 PolarHBondContact O-N 2.88Å
342	S	95.3	Very high	97.6	Very high	75 Å²	75	46.5 Å²	46.5	52%	0.524	28%	0.277	S	S	.	.	H	α-helix	trans	-67	-34.8	175	56.8	0	0	0	0	112.9	S340 L345 G346	S340-S342 PolarHBondContact O-N 2.96Å; S340-S342 PolarHBondContact OG-OG 2.82Å; S342-L345 PolarHBondContact O-N 2.91Å; S342-G346 PolarHBondContact O-N 3.12Å
343	S	96.9	Very high	97.6	Very high	33 Å²	33	47.1 Å²	47.1	23%	0.231	28%	0.28	C	S	.	.	H	α-helix	trans	-66.6	-43.6	172.8	168.9	0	0	0	0	111	S340 L345 G346 I347	S340-S343 WeakPolarHBondContact O-CB 3.47Å; S340-S343 PolarHBondContact O-N 3.12Å; S340-S343 VanDerWaalsContact O-N 3.12Å; S340-S343 WeakPolarHBondContact OG-CB 3.45Å; S340-S343 PolarHBondContact OG-N 2.86Å; S343-L345 VanDerWaalsContact C-N 3.34Å; S343-L345 PolarHBondContact O-N 3.43Å; S343-G346 PolarHBondContact O-N 3.4Å; S343-I347 VanDerWaalsContact O-CG1 3.29Å; S343-I347 WeakPolarHBondContact O-CG1 3.26Å; S343-I347 PolarHBondContact O-N 3.39Å
344	K	97.9	Very high	97.7	Very high	60 Å²	60	47.1 Å²	47.1	26%	0.261	28%	0.28	S	S	.	.	H	α-helix	trans	-57.8	-46.2	173.9	-167.4	-175.9	177.6	79.4	0	111.7	Y281 F334 S340 A341 T348	Y281-K344 HydrophobicContact CD1-CG 4.44Å; Y281-K344 HydrophobicContact CE1-CG 3.7Å; Y281-K344 HydrophobicContact CE2-CD 4.42Å; Y281-K344 VanDerWaalsContact CE2-CE 3.45Å; Y281-K344 HydrophobicContact CE2-CG 4.18Å; Y281-K344 WeakPolarHBondContact OH-CG 3.46Å; F334-K344 HydrophobicContact CD2-CB 4.11Å; F334-K344 HydrophobicContact CD2-CG 4.3Å; F334-K344 HydrophobicContact CE2-CB 3.66Å; F334-K344 HydrophobicContact CE2-CD 4.3Å; F334-K344 HydrophobicContact CE2-CG 3.94Å; F334-K344 HydrophobicContact CZ-CB 4.42Å; F334-K344 HydrophobicContact CZ-CD 4.26Å; F334-K344 HydrophobicContact CZ-CG 4.35Å; S340-K344 PolarHBondContact O-N 2.96Å; A341-K344 PolarHBondContact O-N 3.27Å; K344-T348 PolarHBondContact O-N 2.84Å; K344-T348 VanDerWaalsContact O-N 3.09Å; K344-T348 PolarHBondContact O-OG1 3.26Å
345	L	97.8	Very high	97.7	Very high	40 Å²	40	45.5 Å²	45.5	21%	0.209	27%	0.273	C	S	.	.	H	α-helix	trans	-59.7	-49.9	174.6	173.9	60.4	0	0	0	110.9	A341 S342 S343 I347 T348 M349 L394 V396 Y399	A341-L345 PolarHBondContact O-N 2.88Å; S342-L345 PolarHBondContact O-N 2.91Å; S343-L345 VanDerWaalsContact C-N 3.34Å; S343-L345 PolarHBondContact O-N 3.43Å; L345-I347 PolarHBondContact O-N 3.36Å; L345-T348 WeakPolarHBondContact O-CB 3.46Å; L345-T348 PolarHBondContact O-N 3.41Å; L345-T348 VanDerWaalsContact O-N 3.12Å; L345-M349 HydrophobicContact CD1-CG 3.78Å; L345-M349 HydrophobicContact CD1-SD 4.24Å; L345-M349 HydrophobicContact CG-CG 4.28Å; L345-M349 VanDerWaalsContact O-CG 3.3Å; L345-M349 WeakPolarHBondContact O-CG 3.39Å; L345-M349 PolarHBondContact O-N 3.32Å; L345-L394 HydrophobicContact CD1-CB 4.36Å; L345-L394 HydrophobicContact CD1-CD1 4.18Å; L345-V396 HydrophobicContact CD1-CG1 3.51Å; L345-Y399 HydrophobicContact CD2-CD2 3.99Å; L345-Y399 HydrophobicContact CD2-CE2 3.91Å
346	G	97.9	Very high	97.7	Very high	30 Å²	30	44 Å²	44	31%	0.309	26%	0.264	S	S	.	.	H	α-helix	trans	-55.3	-48.3	178.6	0	0	0	0	0	113	S342 S343 T348 M349 T350	S342-G346 PolarHBondContact O-N 3.12Å; S343-G346 PolarHBondContact O-N 3.4Å; G346-T348 VanDerWaalsContact C-N 3.32Å; G346-T348 PolarHBondContact O-N 3.29Å; G346-M349 PolarHBondContact O-N 3.48Å; G346-T350 PolarHBondContact O-N 3.25Å; G346-T350 PolarHBondContact O-OG1 3.22Å; G346-T350 VanDerWaalsContact O-OG1 3.08Å
347	I	98.6	Very high	97.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.6	-45.1	176.4	-66.5	164.5	0	0	0	110.9	Y281 A282 L333 F334 S343 L345 M349 T350 V351	Y281-I347 HydrophobicContact CD1-CG2 4.03Å; Y281-I347 HydrophobicContact CE1-CB 4.4Å; Y281-I347 HydrophobicContact CE1-CG2 4.1Å; A282-I347 HydrophobicContact CB-CG2 4.47Å; L333-I347 WeakPolarHBondContact O-CD1 3.38Å; F334-I347 HydrophobicContact CB-CD1 3.84Å; F334-I347 HydrophobicContact CD2-CD1 4.22Å; S343-I347 VanDerWaalsContact O-CG1 3.29Å; S343-I347 WeakPolarHBondContact O-CG1 3.26Å; S343-I347 PolarHBondContact O-N 3.39Å; L345-I347 PolarHBondContact O-N 3.36Å; I347-M349 PolarHBondContact O-N 3.08Å; I347-T350 PolarHBondContact O-N 3.46Å; I347-V351 HydrophobicContact CG2-CG2 4.39Å; I347-V351 WeakPolarHBondContact O-CB 3.25Å; I347-V351 VanDerWaalsContact O-CG2 3.3Å; I347-V351 WeakPolarHBondContact O-CG2 3.26Å; I347-V351 PolarHBondContact O-N 3.16Å
348	T	98.8	Very high	98	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63	-44.4	-179.4	-45.6	0	0	0	0	111.4	Y281 K344 L345 G346 A352 V387 L394	Y281-T348 PolarHBondContact OH-OG1 3.44Å; K344-T348 PolarHBondContact O-N 2.84Å; K344-T348 VanDerWaalsContact O-N 3.09Å; K344-T348 PolarHBondContact O-OG1 3.26Å; L345-T348 WeakPolarHBondContact O-CB 3.46Å; L345-T348 PolarHBondContact O-N 3.41Å; L345-T348 VanDerWaalsContact O-N 3.12Å; G346-T348 VanDerWaalsContact C-N 3.32Å; G346-T348 PolarHBondContact O-N 3.29Å; T348-A352 VanDerWaalsContact O-CB 3.31Å; T348-A352 WeakPolarHBondContact O-CB 3.45Å; T348-A352 PolarHBondContact O-N 3.45Å; T348-V387 HydrophobicContact CG2-CG1 3.94Å; T348-V387 HydrophobicContact CG2-CG2 4.03Å; T348-L394 HydrophobicContact CG2-CD1 4.01Å
349	M	98.6	Very high	98.1	Very high	21 Å²	21	23.5 Å²	23.5	10%	0.103	16%	0.157	C	C	.	.	H	α-helix	trans	-66.7	-43.6	178.7	-63.7	-61.8	-80.8	0	0	111.2	L345 G346 I347 A352 H353 E383 F384 V387 V396	L345-M349 HydrophobicContact CD1-CG 3.78Å; L345-M349 HydrophobicContact CD1-SD 4.24Å; L345-M349 HydrophobicContact CG-CG 4.28Å; L345-M349 VanDerWaalsContact O-CG 3.3Å; L345-M349 WeakPolarHBondContact O-CG 3.39Å; L345-M349 PolarHBondContact O-N 3.32Å; G346-M349 PolarHBondContact O-N 3.48Å; I347-M349 PolarHBondContact O-N 3.08Å; M349-A352 WeakPolarHBondContact O-CB 3.42Å; M349-A352 PolarHBondContact O-N 3.34Å; M349-H353 WeakPolarHBondContact O-CB 3.28Å; M349-H353 PolarHBondContact O-N 3.04Å; M349-E383 HydrophobicContact CE-CB 3.51Å; M349-E383 HydrophobicContact CE-CG 4.43Å; M349-E383 WeakPolarHBondContact CE-OE2 3.48Å; M349-E383 WeakPolarHBondContact O-CG 3.24Å; M349-E383 HydrophobicContact SD-CB 4.19Å; M349-F384 HydrophobicContact CE-CD1 3.92Å; M349-F384 HydrophobicContact CE-CD2 3.99Å; M349-F384 HydrophobicContact CE-CE1 3.69Å; M349-F384 HydrophobicContact CE-CE2 3.77Å; M349-F384 HydrophobicContact CE-CG 4.07Å; M349-F384 HydrophobicContact CE-CZ 3.63Å; M349-V387 HydrophobicContact SD-CB 4.02Å; M349-V387 HydrophobicContact SD-CG1 4.09Å; M349-V387 HydrophobicContact SD-CG2 3.89Å; M349-V396 HydrophobicContact CE-CB 4.47Å; M349-V396 HydrophobicContact SD-CB 4.25Å; M349-V396 HydrophobicContact SD-CG1 3.86Å
350	T	98.7	Very high	98.2	Very high	33 Å²	33	22 Å²	22	20%	0.202	15%	0.146	C	C	.	.	H	α-helix	trans	-64.7	-45	177.3	-55.9	0	0	0	0	111.6	A318 Y327 A331 G346 I347 A352 H353 E354	A318-T350 HydrophobicContact CB-CG2 3.62Å; Y327-T350 HydrophobicContact CD1-CG2 3.89Å; Y327-T350 HydrophobicContact CE1-CG2 3.97Å; A331-T350 HydrophobicContact CB-CG2 4.16Å; G346-T350 PolarHBondContact O-N 3.25Å; G346-T350 PolarHBondContact O-OG1 3.22Å; G346-T350 VanDerWaalsContact O-OG1 3.08Å; I347-T350 PolarHBondContact O-N 3.46Å; T350-A352 VanDerWaalsContact C-N 3.29Å; T350-A352 PolarHBondContact O-N 3.18Å; T350-H353 WeakPolarHBondContact O-CB 3.45Å; T350-H353 PolarHBondContact O-N 3.34Å; T350-H353 VanDerWaalsContact O-N 3.14Å; T350-E354 HydrophobicContact CG2-CG 4.43Å; T350-E354 WeakPolarHBondContact O-CG 3.25Å; T350-E354 PolarHBondContact O-N 3.15Å
351	V	98.9	Very high	98.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.9	-39.8	174.8	173.3	0	0	0	0	111.2	A286 L289 L308 Y327 L332 I347 H353 L355	A286-V351 HydrophobicContact CB-CG1 3.82Å; L289-V351 HydrophobicContact CD1-CB 4.34Å; L289-V351 HydrophobicContact CD1-CG1 3.88Å; L308-V351 HydrophobicContact CD2-CG1 4.11Å; L308-V351 HydrophobicContact CD2-CG2 4.18Å; Y327-V351 HydrophobicContact CE1-CG2 4.19Å; L332-V351 HydrophobicContact CD1-CG2 3.84Å; I347-V351 HydrophobicContact CG2-CG2 4.39Å; I347-V351 WeakPolarHBondContact O-CB 3.25Å; I347-V351 VanDerWaalsContact O-CG2 3.3Å; I347-V351 WeakPolarHBondContact O-CG2 3.26Å; I347-V351 PolarHBondContact O-N 3.16Å; V351-H353 VanDerWaalsContact C-N 3.33Å; V351-H353 PolarHBondContact O-N 3.46Å; V351-L355 HydrophobicContact CG1-CD1 3.92Å; V351-L355 HydrophobicContact CG1-CG 4.36Å; V351-L355 WeakPolarHBondContact O-CB 3.44Å; V351-L355 VanDerWaalsContact O-CG 3.25Å; V351-L355 WeakPolarHBondContact O-CG 3.45Å; V351-L355 PolarHBondContact O-N 3.02Å; V351-L355 VanDerWaalsContact O-N 3.1Å
352	A	98.9	Very high	98.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.6	-38	175.6	0	0	0	0	0	112.7	L289 Y293 T348 M349 T350 A356 V387	L289-A352 HydrophobicContact CD1-CB 3.88Å; L289-A352 HydrophobicContact CD2-CB 3.87Å; Y293-A352 WeakPolarHBondContact CE2-O 3.16Å; Y293-A352 PolarHBondContact OH-O 2.92Å; T348-A352 VanDerWaalsContact O-CB 3.31Å; T348-A352 WeakPolarHBondContact O-CB 3.45Å; T348-A352 PolarHBondContact O-N 3.45Å; M349-A352 WeakPolarHBondContact O-CB 3.42Å; M349-A352 PolarHBondContact O-N 3.34Å; T350-A352 VanDerWaalsContact C-N 3.29Å; T350-A352 PolarHBondContact O-N 3.18Å; A352-A356 WeakPolarHBondContact O-CB 3.3Å; A352-A356 PolarHBondContact O-N 3.14Å; A352-V387 HydrophobicContact CB-CG2 3.56Å
353	H	98.8	Very high	98.5	Very high	13 Å²	13	12 Å²	12	6%	0.06	7%	0.07	C	C	.	.	H	α-helix	trans	-62.5	-55.7	176.5	-168.8	89.8	0	0	0	111.4	M349 T350 V351 L355 A356 H357 E376 K380 E383 Y438	M349-H353 WeakPolarHBondContact O-CB 3.28Å; M349-H353 PolarHBondContact O-N 3.04Å; T350-H353 WeakPolarHBondContact O-CB 3.45Å; T350-H353 PolarHBondContact O-N 3.34Å; T350-H353 VanDerWaalsContact O-N 3.14Å; V351-H353 VanDerWaalsContact C-N 3.33Å; V351-H353 PolarHBondContact O-N 3.46Å; H353-L355 VanDerWaalsContact C-N 3.27Å; H353-L355 PolarHBondContact O-N 3.33Å; H353-A356 WeakPolarHBondContact O-CB 3.44Å; H353-A356 PolarHBondContact O-N 3.05Å; H353-H357 AromaticContact CD2-CD2 3.52Å; H353-H357 AromaticContact CD2-NE2 3.25Å; H353-H357 PolarHBondContact CD2-NE2 2.83Å; H353-H357 VanDerWaalsContact CD2-NE2 3.25Å; H353-H357 AromaticContact CE1-NE2 3.81Å; H353-H357 AromaticContact NE2-CD2 3.83Å; H353-H357 AromaticContact NE2-NE2 3.04Å; H353-H357 PolarHBondContact NE2-NE2 2.9Å; H353-H357 PolarHBondContact O-CD2 3.01Å; H353-H357 VanDerWaalsContact O-CD2 3.32Å; H353-H357 PolarHBondContact O-N 2.86Å; H353-H357 VanDerWaalsContact O-N 3.13Å; H353-E376 IonicContact CE1-OE2 3.66Å; H353-E376 IonicContact NE2-OE2 3.05Å; H353-E376 PolarHBondContact NE2-OE2 3.29Å; H353-K380 PolarHBondContact ND1-N 3.15Å; H353-E383 HydrophobicContact CB-CG 3.8Å; H353-E383 IonicContact CE1-OE1 3.6Å; H353-E383 IonicContact CG-OE1 2.66Å; H353-E383 IonicContact ND1-OE1 2.72Å; H353-E383 PolarHBondContact ND1-OE1 3.17Å; H353-Y438 AromaticContact CE1-CE1 3.84Å; H353-Y438 AromaticContact NE2-CE1 3.8Å
354	E	98.8	Very high	98.6	Very high	9 Å²	9	10.5 Å²	10.5	4%	0.042	6%	0.06	C	C	.	.	H	α-helix	trans	-62.2	-34.5	-178.6	-58.7	-42.5	127.8	0	0	112.7	A318 M319 E320 T325 Y327 T350 Q358	A318-E354 VanDerWaalsContact CB-CD 3.4Å; A318-E354 HydrophobicContact CB-CG 3.65Å; A318-E354 VanDerWaalsContact CB-OE1 3.24Å; A318-E354 WeakPolarHBondContact CB-OE1 3.34Å; M319-E354 WeakPolarHBondContact CA-OE2 3.36Å; M319-E354 PolarHBondContact N-OE2 3.3Å; E320-E354 VanDerWaalsContact CA-OE2 3.26Å; E320-E354 WeakPolarHBondContact CA-OE2 3.43Å; E320-E354 PolarHBondContact N-OE2 2.89Å; T325-E354 HydrophobicContact CG2-CB 4.02Å; Y327-E354 HydrophobicContact CD1-CG 4.37Å; Y327-E354 HydrophobicContact CE1-CB 4.23Å; Y327-E354 HydrophobicContact CE1-CG 3.43Å; Y327-E354 VanDerWaalsContact CE1-CG 3.43Å; Y327-E354 WeakPolarHBondContact OH-CB 3.12Å; Y327-E354 WeakPolarHBondContact OH-CG 3.33Å; T350-E354 HydrophobicContact CG2-CG 4.43Å; T350-E354 WeakPolarHBondContact O-CG 3.25Å; T350-E354 PolarHBondContact O-N 3.15Å; E354-Q358 PolarHBondContact O-NE2 2.94Å
355	L	98.9	Very high	98.6	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-75.3	-30.7	176.3	-67	-177.2	0	0	0	112.6	A286 L289 L290 Y293 Q306 V351 H353 H357 Q358 W359	A286-L355 HydrophobicContact CB-CD1 4.12Å; A286-L355 WeakPolarHBondContact O-CD1 3.22Å; L289-L355 HydrophobicContact CB-CD1 3.76Å; L290-L355 HydrophobicContact CB-CD1 4.25Å; L290-L355 HydrophobicContact CD1-CD2 4.39Å; Y293-L355 HydrophobicContact CD2-CB 3.94Å; Y293-L355 HydrophobicContact CE2-CB 3.74Å; Q306-L355 HydrophobicContact CG-CD2 3.98Å; V351-L355 HydrophobicContact CG1-CD1 3.92Å; V351-L355 HydrophobicContact CG1-CG 4.36Å; V351-L355 WeakPolarHBondContact O-CB 3.44Å; V351-L355 VanDerWaalsContact O-CG 3.25Å; V351-L355 WeakPolarHBondContact O-CG 3.45Å; V351-L355 PolarHBondContact O-N 3.02Å; V351-L355 VanDerWaalsContact O-N 3.1Å; H353-L355 VanDerWaalsContact C-N 3.27Å; H353-L355 PolarHBondContact O-N 3.33Å; L355-H357 VanDerWaalsContact C-N 3.3Å; L355-H357 PolarHBondContact O-N 3.33Å; L355-Q358 HydrophobicContact CD2-CG 4.49Å; L355-Q358 WeakPolarHBondContact O-CB 3.48Å; L355-Q358 WeakPolarHBondContact O-CG 3.44Å; L355-Q358 PolarHBondContact O-N 2.65Å; L355-W359 WeakPolarHBondContact O-CZ3 3.2Å
356	A	98.8	Very high	98.6	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-63.5	-38.9	171.9	0	0	0	0	0	111.5	Y293 A352 H353 Q358 W359 F360 A379 M382	Y293-A356 HydrophobicContact CE1-CB 4.27Å; Y293-A356 HydrophobicContact CE2-CB 4.31Å; A352-A356 WeakPolarHBondContact O-CB 3.3Å; A352-A356 PolarHBondContact O-N 3.14Å; H353-A356 WeakPolarHBondContact O-CB 3.44Å; H353-A356 PolarHBondContact O-N 3.05Å; A356-Q358 PolarHBondContact O-N 3.44Å; A356-Q358 VanDerWaalsContact O-N 3.14Å; A356-W359 PolarHBondContact O-N 3.47Å; A356-F360 PolarHBondContact O-N 2.92Å; A356-A379 HydrophobicContact CB-CB 4.26Å; A356-M382 HydrophobicContact CB-CB 3.68Å; A356-M382 HydrophobicContact CB-CG 4.42Å
357	H	98.8	Very high	98.7	Very high	1 Å²	1	8 Å²	8	1%	0.005	4%	0.04	C	C	.	.	H	α-helix	trans	-60.7	-21.8	178.1	-79.8	-63.7	0	0	0	114.3	E320 H353 L355 W359 F360 G361 N362 E376 A379	E320-H357 HydrophobicContact CB-CB 3.33Å; E320-H357 HydrophobicContact CG-CB 3.59Å; E320-H357 IonicContact OE1-ND1 2.78Å; H353-H357 AromaticContact CD2-CD2 3.52Å; H353-H357 AromaticContact CD2-NE2 3.25Å; H353-H357 PolarHBondContact CD2-NE2 2.83Å; H353-H357 VanDerWaalsContact CD2-NE2 3.25Å; H353-H357 AromaticContact CE1-NE2 3.81Å; H353-H357 AromaticContact NE2-CD2 3.83Å; H353-H357 AromaticContact NE2-NE2 3.04Å; H353-H357 PolarHBondContact NE2-NE2 2.9Å; H353-H357 PolarHBondContact O-CD2 3.01Å; H353-H357 VanDerWaalsContact O-CD2 3.32Å; H353-H357 PolarHBondContact O-N 2.86Å; H353-H357 VanDerWaalsContact O-N 3.13Å; L355-H357 VanDerWaalsContact C-N 3.3Å; L355-H357 PolarHBondContact O-N 3.33Å; H357-W359 PolarHBondContact O-N 3.17Å; H357-W359 VanDerWaalsContact O-N 3.08Å; H357-F360 WeakPolarHBondContact CA-O 3.19Å; H357-F360 PolarHBondContact ND1-O 3.12Å; H357-F360 CarbonylContact O-C 3.51Å; H357-F360 PolarHBondContact O-N 3.4Å; H357-G361 PolarHBondContact O-N 3.09Å; H357-N362 WeakPolarHBondContact O-CB 3.49Å; H357-N362 PolarHBondContact O-N 3.41Å; H357-E376 IonicContact CE1-OE1 3.19Å; H357-E376 IonicContact CE1-OE2 3.42Å; H357-E376 PolarHBondContact CE1-OE2 2.81Å; H357-E376 IonicContact NE2-OE2 2.63Å; H357-E376 PolarHBondContact NE2-OE2 3Å; H357-A379 WeakPolarHBondContact CE1-CB 3.3Å; H357-A379 VanDerWaalsContact NE2-CB 3.25Å; H357-A379 WeakPolarHBondContact NE2-CB 3.41Å
358	Q	98.8	Very high	98.7	Very high	2 Å²	2	9 Å²	9	1%	0.009	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.9	174	-51.5	-50.4	-54.3	0	0	111.9	Y301 E320 E354 L355 A356 N362 L363	Y301-Q358 HydrophobicContact CD2-CB 4.02Å; Y301-Q358 HydrophobicContact CD2-CG 4.34Å; Y301-Q358 HydrophobicContact CE2-CB 3.97Å; Y301-Q358 HydrophobicContact CE2-CG 3.95Å; E320-Q358 PolarHBondContact O-NE2 3.02Å; E320-Q358 VanDerWaalsContact O-NE2 3.07Å; E354-Q358 PolarHBondContact O-NE2 2.94Å; L355-Q358 HydrophobicContact CD2-CG 4.49Å; L355-Q358 WeakPolarHBondContact O-CB 3.48Å; L355-Q358 WeakPolarHBondContact O-CG 3.44Å; L355-Q358 PolarHBondContact O-N 2.65Å; A356-Q358 PolarHBondContact O-N 3.44Å; A356-Q358 VanDerWaalsContact O-N 3.14Å; Q358-N362 PolarHBondContact NE2-ND2 2.94Å; Q358-N362 PolarHBondContact OE1-ND2 2.83Å; Q358-L363 WeakPolarHBondContact O-CB 3.24Å; Q358-L363 PolarHBondContact O-N 3.06Å
359	W	98.9	Very high	98.7	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.008	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-49.5	168.9	-69.2	-99.1	0	0	0	112.4	L290 Y293 E294 F297 I299 L355 A356 H357 G361 V364 L465	L290-W359 HydrophobicContact CD1-CH2 3.76Å; L290-W359 HydrophobicContact CD1-CZ3 3.99Å; Y293-W359 VanDerWaalsContact CB-CZ3 3.42Å; Y293-W359 HydrophobicContact CD2-CZ3 4.25Å; Y293-W359 HydrophobicContact CG-CE3 4.45Å; Y293-W359 HydrophobicContact CG-CZ3 4.1Å; E294-W359 HydrophobicContact CG-CH2 4.03Å; E294-W359 HydrophobicContact CG-CZ2 3.91Å; F297-W359 HydrophobicContact CD2-CB 4.26Å; F297-W359 AromaticContact CD2-CD1 3.83Å; F297-W359 AromaticContact CD2-CD2 3.72Å; F297-W359 HydrophobicContact CD2-CD2 3.72Å; F297-W359 AromaticContact CD2-CE2 3.94Å; F297-W359 HydrophobicContact CD2-CE3 4.28Å; F297-W359 AromaticContact CD2-CG 3.68Å; F297-W359 HydrophobicContact CD2-CG 3.68Å; F297-W359 AromaticContact CD2-NE1 3.96Å; F297-W359 HydrophobicContact CE2-CB 4.27Å; F297-W359 HydrophobicContact CE2-CD2 4.1Å; F297-W359 HydrophobicContact CE2-CE3 4.29Å; F297-W359 HydrophobicContact CE2-CG 4.09Å; F297-W359 HydrophobicContact CG-CG 4.47Å; I299-W359 WeakPolarHBondContact O-CZ2 3.46Å; I299-W359 PolarHBondContact O-NE1 3.3Å; I299-W359 VanDerWaalsContact O-NE1 3.13Å; L355-W359 WeakPolarHBondContact O-CZ3 3.2Å; A356-W359 PolarHBondContact O-N 3.47Å; H357-W359 PolarHBondContact O-N 3.17Å; H357-W359 VanDerWaalsContact O-N 3.08Å; W359-G361 PolarHBondContact O-N 2.88Å; W359-V364 PolarHBondContact O-N 3.47Å; W359-V364 VanDerWaalsContact O-N 3.12Å; W359-L465 HydrophobicContact CB-CD1 4.08Å; W359-L465 HydrophobicContact CB-CD2 4.14Å; W359-L465 HydrophobicContact CG-CD1 4.43Å
360	F	98.5	Very high	98.6	Very high	1 Å²	1	10.2 Å²	10.2	0%	0.004	5%	0.051	C	C	.	.	B	Isolated β-bridge	trans	-97.1	78.8	-178	-63.1	-80.1	0	0	0	112.4	F297 A356 H357 F378 M382 I461 Y464 L465	F297-F360 AromaticContact CE1-CE2 3.79Å; F297-F360 HydrophobicContact CE1-CE2 3.79Å; F297-F360 HydrophobicContact CE1-CZ 4.21Å; F297-F360 HydrophobicContact CE2-CE2 4.27Å; F297-F360 HydrophobicContact CZ-CD2 4.36Å; F297-F360 AromaticContact CZ-CE2 3.54Å; F297-F360 HydrophobicContact CZ-CE2 3.54Å; F297-F360 HydrophobicContact CZ-CZ 4.4Å; A356-F360 PolarHBondContact O-N 2.92Å; H357-F360 WeakPolarHBondContact CA-O 3.19Å; H357-F360 PolarHBondContact ND1-O 3.12Å; H357-F360 CarbonylContact O-C 3.51Å; H357-F360 PolarHBondContact O-N 3.4Å; F360-F378 HydrophobicContact CB-CB 3.85Å; F360-F378 HydrophobicContact CD1-CB 3.65Å; F360-F378 AromaticContact CD1-CD1 3.83Å; F360-F378 HydrophobicContact CD1-CD1 3.83Å; F360-F378 HydrophobicContact CD1-CD2 4.13Å; F360-F378 AromaticContact CD1-CG 3.57Å; F360-F378 HydrophobicContact CD1-CG 3.57Å; F360-F378 HydrophobicContact CD2-CB 4.18Å; F360-F378 HydrophobicContact CE1-CB 4.14Å; F360-F378 AromaticContact CE1-CD1 3.41Å; F360-F378 HydrophobicContact CE1-CD1 3.41Å; F360-F378 VanDerWaalsContact CE1-CD1 3.41Å; F360-F378 HydrophobicContact CE1-CD2 4.26Å; F360-F378 AromaticContact CE1-CE1 3.86Å; F360-F378 HydrophobicContact CE1-CE1 3.86Å; F360-F378 AromaticContact CE1-CG 3.64Å; F360-F378 HydrophobicContact CE1-CG 3.64Å; F360-F378 HydrophobicContact CE1-CZ 4.4Å; F360-F378 HydrophobicContact CE2-CD1 4.21Å; F360-F378 HydrophobicContact CG-CB 3.65Å; F360-F378 HydrophobicContact CG-CD1 4.38Å; F360-F378 HydrophobicContact CG-CG 4.08Å; F360-F378 AromaticContact CZ-CD1 3.59Å; F360-F378 HydrophobicContact CZ-CD1 3.59Å; F360-F378 HydrophobicContact CZ-CE1 4.09Å; F360-F378 HydrophobicContact CZ-CG 4.2Å; F360-M382 HydrophobicContact CD2-CG 4.33Å; F360-M382 HydrophobicContact CE2-CE 3.87Å; F360-M382 HydrophobicContact CE2-CG 3.96Å; F360-M382 HydrophobicContact CZ-CE 4.03Å; F360-I461 HydrophobicContact CE1-CD1 4.25Å; F360-I461 HydrophobicContact CE1-CG2 4.23Å; F360-I461 HydrophobicContact CE2-CG2 4.42Å; F360-I461 HydrophobicContact CZ-CD1 4.22Å; F360-I461 HydrophobicContact CZ-CG2 3.5Å; F360-I461 VanDerWaalsContact CZ-CG2 3.5Å; F360-Y464 HydrophobicContact CD1-CE1 4.43Å; F360-Y464 HydrophobicContact CE1-CD1 4.4Å; F360-Y464 HydrophobicContact CE1-CE1 4.3Å; F360-L465 HydrophobicContact CD1-CD2 4.09Å; F360-L465 HydrophobicContact CE1-CD1 4.43Å; F360-L465 HydrophobicContact CE1-CD2 3.98Å; F360-L465 HydrophobicContact CE1-CG 4.32Å; F360-L465 HydrophobicContact CE2-CD1 4.31Å; F360-L465 HydrophobicContact CZ-CD1 4.04Å; F360-L465 HydrophobicContact CZ-CD2 4.38Å; F360-L465 HydrophobicContact CZ-CG 4.42Å
361	G	97.8	Very high	98.6	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	143.8	-45.3	179.4	0	0	0	0	0	110.9	Y245 H357 W359 V364 T365 N375	Y245-G361 PolarHBondContact OH-O 3.08Å; H357-G361 PolarHBondContact O-N 3.09Å; W359-G361 PolarHBondContact O-N 2.88Å; G361-V364 CarbonylContact C-O 3.55Å; G361-V364 VanDerWaalsContact CA-O 3.26Å; G361-V364 WeakPolarHBondContact CA-O 3.49Å; G361-V364 PolarHBondContact N-O 3.31Å; G361-T365 VanDerWaalsContact O-CB 3.28Å; G361-T365 WeakPolarHBondContact O-CB 3.34Å; G361-T365 WeakPolarHBondContact O-CG2 3.5Å; G361-T365 PolarHBondContact O-OG1 2.96Å; G361-N375 VanDerWaalsContact CA-CG 3.44Å; G361-N375 VanDerWaalsContact CA-ND2 3.26Å; G361-N375 WeakPolarHBondContact CA-ND2 3.45Å
362	N	98.4	Very high	98.6	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-64.7	-178.8	-66.1	2.1	0	0	0	111.7	K200 L246 E320 W322 H357 Q358	K200-N362 PolarHBondContact NZ-O 3.27Å; L246-N362 HydrophobicContact CD1-CB 4.09Å; L246-N362 WeakPolarHBondContact CD1-OD1 3.45Å; L246-N362 WeakPolarHBondContact CD2-OD1 3.33Å; E320-N362 WeakPolarHBondContact CG-OD1 3.49Å; E320-N362 PolarHBondContact O-ND2 2.9Å; W322-N362 WeakPolarHBondContact CA-ND2 3.17Å; W322-N362 HydrophobicContact CB-CB 4.48Å; W322-N362 WeakPolarHBondContact CB-ND2 3.16Å; W322-N362 HydrophobicContact CD2-CB 3.58Å; W322-N362 HydrophobicContact CE3-CB 3.67Å; W322-N362 HydrophobicContact CG-CB 3.97Å; W322-N362 HydrophobicContact CH2-CB 4.3Å; W322-N362 HydrophobicContact CZ2-CB 4.18Å; W322-N362 VanDerWaalsContact CZ3-C 3.49Å; W322-N362 HydrophobicContact CZ3-CB 4.04Å; W322-N362 VanDerWaalsContact CZ3-O 3.27Å; W322-N362 WeakPolarHBondContact CZ3-O 3.21Å; H357-N362 WeakPolarHBondContact O-CB 3.49Å; H357-N362 PolarHBondContact O-N 3.41Å; Q358-N362 PolarHBondContact NE2-ND2 2.94Å; Q358-N362 PolarHBondContact OE1-ND2 2.83Å
363	L	98.7	Very high	98.6	Very high	5 Å²	5	9 Å²	9	3%	0.026	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-50.2	178.7	-176.5	64.4	0	0	0	111.5	K200 I299 W322 Q358 Y470	K200-L363 PolarHBondContact NZ-O 2.86Å; I299-L363 HydrophobicContact CG2-CD2 3.94Å; W322-L363 HydrophobicContact CH2-CB 4.17Å; W322-L363 HydrophobicContact CH2-CD1 4.2Å; W322-L363 HydrophobicContact CZ2-CB 4.26Å; W322-L363 HydrophobicContact CZ2-CD1 4.47Å; Q358-L363 WeakPolarHBondContact O-CB 3.24Å; Q358-L363 PolarHBondContact O-N 3.06Å; L363-Y470 HydrophobicContact CD1-CD1 3.99Å; L363-Y470 HydrophobicContact CD1-CD2 4.17Å; L363-Y470 HydrophobicContact CD1-CE1 3.75Å; L363-Y470 HydrophobicContact CD1-CE2 3.95Å; L363-Y470 HydrophobicContact CD1-CG 4.19Å; L363-Y470 WeakPolarHBondContact O-CA 3.46Å; L363-Y470 PolarHBondContact O-N 3.41Å
364	V	98.8	Very high	98.6	Very high	2 Å²	2	8.4 Å²	8.4	1%	0.012	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.4	173.5	-174.2	0	0	0	0	108.3	W359 G361 Y464 L465 H468 T473	W359-V364 PolarHBondContact O-N 3.47Å; W359-V364 VanDerWaalsContact O-N 3.12Å; G361-V364 CarbonylContact C-O 3.55Å; G361-V364 VanDerWaalsContact CA-O 3.26Å; G361-V364 WeakPolarHBondContact CA-O 3.49Å; G361-V364 PolarHBondContact N-O 3.31Å; V364-Y464 HydrophobicContact CB-CE1 4.42Å; V364-Y464 HydrophobicContact CG1-CE1 3.92Å; V364-L465 HydrophobicContact CB-CD2 4.23Å; V364-L465 HydrophobicContact CG2-CD2 3.81Å; V364-H468 HydrophobicContact CG1-CB 3.81Å; V364-H468 HydrophobicContact CG2-CB 4.14Å; V364-T473 HydrophobicContact CG1-CG2 3.59Å
365	T	98.7	Very high	98.5	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	146.7	-175.2	-45.6	0	0	0	0	109.4	P197 K200 Y245 G361 K471 N472 T473	P197-T365 HydrophobicContact CB-CG2 4.02Å; K200-T365 WeakPolarHBondContact CE-OG1 3.29Å; K200-T365 PolarHBondContact NZ-OG1 2.96Å; Y245-T365 HydrophobicContact CE1-CG2 3.92Å; G361-T365 VanDerWaalsContact O-CB 3.28Å; G361-T365 WeakPolarHBondContact O-CB 3.34Å; G361-T365 WeakPolarHBondContact O-CG2 3.5Å; G361-T365 PolarHBondContact O-OG1 2.96Å; T365-K471 PolarHBondContact N-O 2.64Å; T365-N472 CarbonylContact O-C 3.28Å; T365-N472 WeakPolarHBondContact O-CA 3.28Å; T365-N472 WeakPolarHBondContact O-CB 3.33Å; T365-T473 PolarHBondContact O-N 2.99Å
366	M	98.6	Very high	98.5	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	146.9	166.2	70.6	-62.9	-172	0	0	112.1	W368 W369 D371 L372 L374 N375 N472 T473	M366-W368 VanDerWaalsContact C-N 3.34Å; M366-W368 VanDerWaalsContact CG-O 3.27Å; M366-W368 WeakPolarHBondContact CG-O 3.43Å; M366-W369 HydrophobicContact CE-CD2 3.9Å; M366-W369 HydrophobicContact CE-CE3 3.2Å; M366-W369 HydrophobicContact CE-CH2 3.64Å; M366-W369 HydrophobicContact CE-CZ2 4.31Å; M366-W369 HydrophobicContact CE-CZ3 3.05Å; M366-D371 HydrophobicContact CB-CB 4.19Å; M366-D371 WeakPolarHBondContact CB-O 3.33Å; M366-L372 HydrophobicContact CE-CD1 3.85Å; M366-L374 HydrophobicContact CB-CD1 4.41Å; M366-N375 PolarHBondContact N-OD1 3.47Å; M366-N375 VanDerWaalsContact SD-CG 3.51Å; M366-N375 PolarHBondContact SD-ND2 2.63Å; M366-N375 PolarHBondContact SD-OD1 2.73Å; M366-N375 VanDerWaalsContact SD-OD1 3.33Å; M366-N472 PolarHBondContact O-ND2 3.29Å; M366-T473 CarbonylContact C-O 3.56Å; M366-T473 WeakPolarHBondContact CA-O 3.06Å
367	E	98.5	Very high	98.5	Very high	78 Å²	78	8 Å²	8	36%	0.364	4%	0.039	S	C	.	.	S	Bend	trans	-67.9	-37.9	177	-171.2	-177.4	-89.8	0	0	111.3	A198 N472 T473 K474	A198-E367 HydrophobicContact CB-CG 4.18Å; E367-N472 HydrophobicContact CB-CB 4.11Å; E367-N472 HydrophobicContact CG-CB 4.48Å; E367-T473 PolarHBondContact N-O 3.35Å; E367-K474 HydrophobicContact CB-CG 4.28Å; E367-K474 WeakPolarHBondContact OE1-CE 3.5Å; E367-K474 IonicContact OE1-NZ 2.95Å; E367-K474 PolarHBondContact OE1-NZ 3.36Å; E367-K474 WeakPolarHBondContact OE2-CE 3.31Å; E367-K474 IonicContact OE2-NZ 2.72Å; E367-K474 PolarHBondContact OE2-NZ 3.26Å
368	W	98.7	Very high	98.5	Very high	21 Å²	21	8 Å²	8	8%	0.08	4%	0.038	C	C	.	.	S	Bend	trans	-149.4	160.4	175.9	-178	-113.1	0	0	0	110.5	E196 P197 M366 N370 D371 V423 I429	E196-W368 HydrophobicContact CB-CE3 4.47Å; E196-W368 HydrophobicContact CB-CZ3 3.95Å; E196-W368 HydrophobicContact CG-CZ3 3.95Å; P197-W368 HydrophobicContact CG-CE3 4.46Å; M366-W368 VanDerWaalsContact C-N 3.34Å; M366-W368 VanDerWaalsContact CG-O 3.27Å; M366-W368 WeakPolarHBondContact CG-O 3.43Å; W368-N370 WeakPolarHBondContact CB-OD1 3.33Å; W368-N370 VanDerWaalsContact CD1-OD1 3.23Å; W368-N370 PolarHBondContact O-N 3.44Å; W368-D371 PolarHBondContact O-N 3.35Å; W368-D371 VanDerWaalsContact O-N 3.08Å; W368-V423 PolarHBondContact NE1-O 3.34Å; W368-I429 HydrophobicContact CH2-CD1 3.93Å; W368-I429 HydrophobicContact CZ2-CD1 3.82Å; W368-I429 HydrophobicContact CZ2-CG1 4.45Å
369	W	98.4	Very high	98.5	Very high	2 Å²	2	7.9 Å²	7.9	1%	0.008	4%	0.038	C	C	.	.	G	3₁₀ helix	trans	-61.5	-12.4	-173.7	-56.9	104.4	0	0	0	115.1	E183 P184 P197 Y245 M366 D371 L372 V423 I429 F433	E183-W369 HydrophobicContact CG-CH2 3.8Å; E183-W369 HydrophobicContact CG-CZ3 3.97Å; E183-W369 WeakPolarHBondContact OE1-CZ3 3.3Å; P184-W369 HydrophobicContact CB-CD2 4.15Å; P184-W369 HydrophobicContact CB-CE3 4.03Å; P184-W369 HydrophobicContact CB-CH2 3.66Å; P184-W369 HydrophobicContact CB-CZ2 3.71Å; P184-W369 HydrophobicContact CB-CZ3 3.78Å; P184-W369 WeakPolarHBondContact O-CZ2 3.28Å; P197-W369 HydrophobicContact CG-CZ2 4.15Å; Y245-W369 HydrophobicContact CD1-CH2 4.06Å; Y245-W369 HydrophobicContact CD1-CZ2 4.4Å; Y245-W369 HydrophobicContact CE1-CH2 4.33Å; Y245-W369 HydrophobicContact CG-CH2 4.19Å; M366-W369 HydrophobicContact CE-CD2 3.9Å; M366-W369 HydrophobicContact CE-CE3 3.2Å; M366-W369 HydrophobicContact CE-CH2 3.64Å; M366-W369 HydrophobicContact CE-CZ2 4.31Å; M366-W369 HydrophobicContact CE-CZ3 3.05Å; W369-D371 PolarHBondContact O-N 2.9Å; W369-L372 HydrophobicContact CE3-CD1 4.03Å; W369-L372 HydrophobicContact CZ3-CD1 4.06Å; W369-L372 WeakPolarHBondContact O-CB 3.46Å; W369-L372 PolarHBondContact O-N 2.86Å; W369-V423 HydrophobicContact CB-CG2 3.83Å; W369-I429 HydrophobicContact CB-CB 4.43Å; W369-I429 HydrophobicContact CB-CG1 4.05Å; W369-I429 HydrophobicContact CB-CG2 3.75Å; W369-I429 HydrophobicContact CD2-CG2 3.57Å; W369-I429 HydrophobicContact CE3-CG2 4.01Å; W369-I429 HydrophobicContact CG-CB 4.37Å; W369-I429 HydrophobicContact CG-CD1 4.23Å; W369-I429 HydrophobicContact CG-CG1 4.06Å; W369-I429 HydrophobicContact CG-CG2 3.41Å; W369-I429 VanDerWaalsContact CG-CG2 3.41Å; W369-F433 HydrophobicContact CE3-CE2 4.39Å; W369-F433 HydrophobicContact CE3-CZ 4.23Å; W369-F433 HydrophobicContact CZ3-CE2 4.43Å; W369-F433 AromaticContact CZ3-CZ 3.88Å; W369-F433 HydrophobicContact CZ3-CZ 3.88Å
370	N	97.9	Very high	98.4	Very high	44 Å²	44	9.2 Å²	9.2	24%	0.235	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-62	-25.1	171.9	67	-84.8	0	0	0	112.8	W368 S420 T421	W368-N370 WeakPolarHBondContact CB-OD1 3.33Å; W368-N370 VanDerWaalsContact CD1-OD1 3.23Å; W368-N370 PolarHBondContact O-N 3.44Å; N370-S420 WeakPolarHBondContact O-CA 3.45Å; N370-T421 VanDerWaalsContact CA-O 3.23Å; N370-T421 WeakPolarHBondContact CA-O 3.03Å; N370-T421 WeakPolarHBondContact CB-O 3.39Å; N370-T421 PolarHBondContact O-N 2.75Å
371	D	98.3	Very high	98.5	Very high	8 Å²	8	9.2 Å²	9.2	4%	0.043	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-112	30	178.6	-69.8	-24.5	0	0	0	111.2	M366 W368 W369 W373 L374 S420 K474 N475	M366-D371 HydrophobicContact CB-CB 4.19Å; M366-D371 WeakPolarHBondContact CB-O 3.33Å; W368-D371 PolarHBondContact O-N 3.35Å; W368-D371 VanDerWaalsContact O-N 3.08Å; W369-D371 PolarHBondContact O-N 2.9Å; D371-W373 PolarHBondContact O-N 3.21Å; D371-W373 VanDerWaalsContact O-N 3.08Å; D371-L374 HydrophobicContact CB-CD1 3.82Å; D371-L374 HydrophobicContact CB-CG 4.16Å; D371-L374 WeakPolarHBondContact O-CB 3.39Å; D371-L374 WeakPolarHBondContact O-CG 3.29Å; D371-L374 PolarHBondContact O-N 2.92Å; D371-S420 VanDerWaalsContact OD1-CB 3.23Å; D371-S420 WeakPolarHBondContact OD1-CB 3.44Å; D371-S420 PolarHBondContact OD1-OG 3.4Å; D371-K474 WeakPolarHBondContact OD2-CA 3.42Å; D371-N475 PolarHBondContact OD2-N 2.85Å
372	L	98.3	Very high	98.5	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-33	177.4	173.8	64	0	0	0	112.7	M366 W369 L374 N375 E376 M432 F433	M366-L372 HydrophobicContact CE-CD1 3.85Å; W369-L372 HydrophobicContact CE3-CD1 4.03Å; W369-L372 HydrophobicContact CZ3-CD1 4.06Å; W369-L372 WeakPolarHBondContact O-CB 3.46Å; W369-L372 PolarHBondContact O-N 2.86Å; L372-L374 PolarHBondContact O-N 3.18Å; L372-N375 WeakPolarHBondContact O-CB 3.39Å; L372-N375 PolarHBondContact O-N 3.02Å; L372-E376 HydrophobicContact CD1-CG 3.79Å; L372-E376 HydrophobicContact CD2-CG 4.26Å; L372-E376 HydrophobicContact CG-CG 3.76Å; L372-E376 PolarHBondContact O-N 3.01Å; L372-E376 VanDerWaalsContact O-N 3.11Å; L372-M432 HydrophobicContact CB-CB 4.48Å; L372-M432 HydrophobicContact CD2-CB 3.74Å; L372-F433 HydrophobicContact CD1-CE1 3.97Å; L372-F433 HydrophobicContact CD1-CZ 3.86Å; L372-F433 HydrophobicContact CD2-CD1 3.82Å; L372-F433 HydrophobicContact CD2-CD2 3.63Å; L372-F433 HydrophobicContact CD2-CE1 3.75Å; L372-F433 HydrophobicContact CD2-CE2 3.57Å; L372-F433 HydrophobicContact CD2-CG 3.76Å; L372-F433 HydrophobicContact CD2-CZ 3.63Å; L372-F433 HydrophobicContact CG-CE1 4.47Å; L372-F433 HydrophobicContact CG-CZ 4.42Å
373	W	98.6	Very high	98.5	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-56.6	-22.5	177.1	84.3	-87	0	0	0	113.9	D371 N375 G377 F378 V419 S420 I444 L445 N475 L478 W479 T525	D371-W373 PolarHBondContact O-N 3.21Å; D371-W373 VanDerWaalsContact O-N 3.08Å; W373-N375 PolarHBondContact O-N 3.03Å; W373-G377 WeakPolarHBondContact O-CA 3.35Å; W373-G377 PolarHBondContact O-N 3.12Å; W373-F378 HydrophobicContact CZ3-CE2 4.46Å; W373-V419 HydrophobicContact CB-CG1 3.51Å; W373-V419 HydrophobicContact CD2-CG1 3.66Å; W373-V419 HydrophobicContact CE3-CG1 4.16Å; W373-V419 HydrophobicContact CG-CG1 3.32Å; W373-S420 PolarHBondContact NE1-OG 2.67Å; W373-I444 HydrophobicContact CZ3-CD1 4.48Å; W373-L445 HydrophobicContact CH2-CD2 4.47Å; W373-L445 HydrophobicContact CZ3-CD1 4.28Å; W373-L445 HydrophobicContact CZ3-CD2 4.08Å; W373-L445 HydrophobicContact CZ3-CG 4.12Å; W373-N475 WeakPolarHBondContact CZ2-OD1 3.48Å; W373-L478 HydrophobicContact CH2-CD2 3.61Å; W373-L478 HydrophobicContact CZ2-CD2 4.1Å; W373-W479 AromaticContact CH2-CH2 3.56Å; W373-W479 HydrophobicContact CH2-CH2 3.56Å; W373-W479 AromaticContact CH2-CZ2 3.59Å; W373-W479 HydrophobicContact CH2-CZ2 3.59Å; W373-W479 HydrophobicContact CZ2-CH2 4.22Å; W373-W479 AromaticContact CZ2-CZ2 3.77Å; W373-W479 HydrophobicContact CZ2-CZ2 3.77Å; W373-T525 HydrophobicContact CH2-CG2 4.28Å; W373-T525 HydrophobicContact CZ2-CG2 3.93Å
374	L	98.4	Very high	98.5	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.005	5%	0.048	C	C	.	.	H	α-helix	trans	-64.6	-24.5	173.2	-68.2	177.3	0	0	0	112.8	M366 D371 L372 F378 L478	M366-L374 HydrophobicContact CB-CD1 4.41Å; D371-L374 HydrophobicContact CB-CD1 3.82Å; D371-L374 HydrophobicContact CB-CG 4.16Å; D371-L374 WeakPolarHBondContact O-CB 3.39Å; D371-L374 WeakPolarHBondContact O-CG 3.29Å; D371-L374 PolarHBondContact O-N 2.92Å; L372-L374 PolarHBondContact O-N 3.18Å; L374-F378 HydrophobicContact CD2-CE2 4.5Å; L374-F378 VanDerWaalsContact O-CD2 3.27Å; L374-F378 WeakPolarHBondContact O-CD2 3.18Å; L374-L478 HydrophobicContact CD2-CB 4.26Å; L374-L478 HydrophobicContact CD2-CD2 3.81Å
375	N	98.1	Very high	98.5	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-89	-64.1	168.6	-64.9	18.9	0	0	0	108.9	Y245 G361 M366 L372 W373 F378 A379	Y245-N375 PolarHBondContact OH-ND2 2.97Å; G361-N375 VanDerWaalsContact CA-CG 3.44Å; G361-N375 VanDerWaalsContact CA-ND2 3.26Å; G361-N375 WeakPolarHBondContact CA-ND2 3.45Å; M366-N375 PolarHBondContact N-OD1 3.47Å; M366-N375 VanDerWaalsContact SD-CG 3.51Å; M366-N375 PolarHBondContact SD-ND2 2.63Å; M366-N375 PolarHBondContact SD-OD1 2.73Å; M366-N375 VanDerWaalsContact SD-OD1 3.33Å; L372-N375 WeakPolarHBondContact O-CB 3.39Å; L372-N375 PolarHBondContact O-N 3.02Å; W373-N375 PolarHBondContact O-N 3.03Å; N375-F378 PolarHBondContact O-N 3.16Å; N375-A379 WeakPolarHBondContact O-CB 3.49Å; N375-A379 PolarHBondContact O-N 3.44Å
376	E	98.4	Very high	98.5	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-70.6	-43.2	-164.8	-60.4	-55.2	158.4	0	0	114	H353 H357 L372 F378 A379 K380 Y438	H353-E376 IonicContact CE1-OE2 3.66Å; H353-E376 IonicContact NE2-OE2 3.05Å; H353-E376 PolarHBondContact NE2-OE2 3.29Å; H357-E376 IonicContact CE1-OE1 3.19Å; H357-E376 IonicContact CE1-OE2 3.42Å; H357-E376 PolarHBondContact CE1-OE2 2.81Å; H357-E376 IonicContact NE2-OE2 2.63Å; H357-E376 PolarHBondContact NE2-OE2 3Å; L372-E376 HydrophobicContact CD1-CG 3.79Å; L372-E376 HydrophobicContact CD2-CG 4.26Å; L372-E376 HydrophobicContact CG-CG 3.76Å; L372-E376 PolarHBondContact O-N 3.01Å; L372-E376 VanDerWaalsContact O-N 3.11Å; E376-F378 VanDerWaalsContact C-N 3.26Å; E376-F378 PolarHBondContact O-N 2.87Å; E376-A379 PolarHBondContact O-N 3.49Å; E376-K380 WeakPolarHBondContact O-CB 3.23Å; E376-K380 PolarHBondContact O-N 2.62Å; E376-Y438 HydrophobicContact CB-CD1 3.93Å; E376-Y438 HydrophobicContact CB-CD2 4.06Å; E376-Y438 HydrophobicContact CB-CE1 3.88Å; E376-Y438 HydrophobicContact CB-CE2 4.02Å; E376-Y438 HydrophobicContact CB-CG 4.02Å; E376-Y438 HydrophobicContact CG-CD2 4.35Å; E376-Y438 HydrophobicContact CG-CE1 4.01Å; E376-Y438 HydrophobicContact CG-CE2 3.82Å; E376-Y438 PolarHBondContact OE1-OH 3.13Å; E376-Y438 WeakPolarHBondContact OE2-CE1 3.29Å; E376-Y438 PolarHBondContact OE2-OH 2.96Å
377	G	98.4	Very high	98.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.1	-35.9	176.6	0	0	0	0	0	111.5	W373 F381 S437 A442	W373-G377 WeakPolarHBondContact O-CA 3.35Å; W373-G377 PolarHBondContact O-N 3.12Å; G377-F381 WeakPolarHBondContact O-CB 3.47Å; G377-F381 PolarHBondContact O-N 3.35Å; G377-S437 WeakPolarHBondContact CA-O 3.46Å; G377-S437 PolarHBondContact N-O 2.9Å; G377-A442 WeakPolarHBondContact O-CA 3.46Å
378	F	98.6	Very high	98.5	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-72.3	-46.3	175.5	-92.6	-73.6	0	0	0	113.2	F360 W373 L374 N375 E376 K380 F381 M382 L445 F457 I461 L478	F360-F378 HydrophobicContact CB-CB 3.85Å; F360-F378 HydrophobicContact CD1-CB 3.65Å; F360-F378 AromaticContact CD1-CD1 3.83Å; F360-F378 HydrophobicContact CD1-CD1 3.83Å; F360-F378 HydrophobicContact CD1-CD2 4.13Å; F360-F378 AromaticContact CD1-CG 3.57Å; F360-F378 HydrophobicContact CD1-CG 3.57Å; F360-F378 HydrophobicContact CD2-CB 4.18Å; F360-F378 HydrophobicContact CE1-CB 4.14Å; F360-F378 AromaticContact CE1-CD1 3.41Å; F360-F378 HydrophobicContact CE1-CD1 3.41Å; F360-F378 VanDerWaalsContact CE1-CD1 3.41Å; F360-F378 HydrophobicContact CE1-CD2 4.26Å; F360-F378 AromaticContact CE1-CE1 3.86Å; F360-F378 HydrophobicContact CE1-CE1 3.86Å; F360-F378 AromaticContact CE1-CG 3.64Å; F360-F378 HydrophobicContact CE1-CG 3.64Å; F360-F378 HydrophobicContact CE1-CZ 4.4Å; F360-F378 HydrophobicContact CE2-CD1 4.21Å; F360-F378 HydrophobicContact CG-CB 3.65Å; F360-F378 HydrophobicContact CG-CD1 4.38Å; F360-F378 HydrophobicContact CG-CG 4.08Å; F360-F378 AromaticContact CZ-CD1 3.59Å; F360-F378 HydrophobicContact CZ-CD1 3.59Å; F360-F378 HydrophobicContact CZ-CE1 4.09Å; F360-F378 HydrophobicContact CZ-CG 4.2Å; W373-F378 HydrophobicContact CZ3-CE2 4.46Å; L374-F378 HydrophobicContact CD2-CE2 4.5Å; L374-F378 VanDerWaalsContact O-CD2 3.27Å; L374-F378 WeakPolarHBondContact O-CD2 3.18Å; N375-F378 PolarHBondContact O-N 3.16Å; E376-F378 VanDerWaalsContact C-N 3.26Å; E376-F378 PolarHBondContact O-N 2.87Å; F378-K380 VanDerWaalsContact C-N 3.34Å; F378-F381 PolarHBondContact O-N 3.4Å; F378-M382 WeakPolarHBondContact O-CB 2.69Å; F378-M382 VanDerWaalsContact O-CG 3.25Å; F378-M382 WeakPolarHBondContact O-CG 3.2Å; F378-M382 PolarHBondContact O-N 3.42Å; F378-L445 HydrophobicContact CB-CD1 4.46Å; F378-L445 HydrophobicContact CD1-CD1 3.72Å; F378-L445 HydrophobicContact CD2-CD1 3.81Å; F378-L445 HydrophobicContact CE1-CD1 3.69Å; F378-L445 HydrophobicContact CE1-CD2 3.85Å; F378-L445 HydrophobicContact CE1-CG 4.39Å; F378-L445 HydrophobicContact CE2-CD1 3.83Å; F378-L445 HydrophobicContact CE2-CD2 3.86Å; F378-L445 HydrophobicContact CE2-CG 4.5Å; F378-L445 HydrophobicContact CG-CD1 3.77Å; F378-L445 HydrophobicContact CZ-CD1 3.78Å; F378-L445 HydrophobicContact CZ-CD2 3.39Å; F378-L445 HydrophobicContact CZ-CG 4.24Å; F378-F457 HydrophobicContact CE1-CZ 4.23Å; F378-I461 HydrophobicContact CD1-CD1 4.22Å; F378-I461 HydrophobicContact CE1-CD1 3.2Å; F378-I461 HydrophobicContact CE1-CG1 4.31Å; F378-I461 HydrophobicContact CZ-CD1 3.53Å; F378-L478 HydrophobicContact CE2-CD1 4.03Å; F378-L478 HydrophobicContact CE2-CD2 3.58Å; F378-L478 HydrophobicContact CE2-CG 4.46Å; F378-L478 HydrophobicContact CZ-CD1 3.75Å; F378-L478 HydrophobicContact CZ-CD2 3.83Å; F378-L478 HydrophobicContact CZ-CG 4.44Å
379	A	98.5	Very high	98.4	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.1	-46.1	177.1	0	0	0	0	0	110.5	A356 H357 N375 E376 F381 M382 E383	A356-A379 HydrophobicContact CB-CB 4.26Å; H357-A379 WeakPolarHBondContact CE1-CB 3.3Å; H357-A379 VanDerWaalsContact NE2-CB 3.25Å; H357-A379 WeakPolarHBondContact NE2-CB 3.41Å; N375-A379 WeakPolarHBondContact O-CB 3.49Å; N375-A379 PolarHBondContact O-N 3.44Å; E376-A379 PolarHBondContact O-N 3.49Å; A379-F381 PolarHBondContact O-N 3.15Å; A379-M382 PolarHBondContact O-N 2.91Å; A379-M382 VanDerWaalsContact O-N 3.16Å; A379-E383 PolarHBondContact O-N 3.48Å; A379-E383 VanDerWaalsContact O-N 3.08Å
380	K	98.7	Very high	98.4	Very high	29 Å²	29	14.2 Å²	14.2	13%	0.126	8%	0.082	C	C	.	.	H	α-helix	trans	-56.2	-47.2	173.7	-179.4	59.7	64.2	-150.8	0	112.3	H353 E376 F378 E383 F384 A442	H353-K380 PolarHBondContact ND1-N 3.15Å; E376-K380 WeakPolarHBondContact O-CB 3.23Å; E376-K380 PolarHBondContact O-N 2.62Å; F378-K380 VanDerWaalsContact C-N 3.34Å; K380-E383 WeakPolarHBondContact CA-OE1 3.43Å; K380-E383 WeakPolarHBondContact CD-OE1 3.42Å; K380-E383 WeakPolarHBondContact CE-OE1 3.48Å; K380-E383 IonicContact NZ-OE1 2.68Å; K380-E383 PolarHBondContact NZ-OE1 2.86Å; K380-E383 IonicContact NZ-OE2 3.38Å; K380-E383 PolarHBondContact NZ-OE2 2.96Å; K380-E383 WeakPolarHBondContact O-CB 2.99Å; K380-E383 PolarHBondContact O-N 2.9Å; K380-F384 HydrophobicContact CD-CE2 4.26Å; K380-F384 VanDerWaalsContact O-CD2 3.31Å; K380-F384 WeakPolarHBondContact O-CD2 3.41Å; K380-A442 HydrophobicContact CB-CB 3.92Å; K380-A442 HydrophobicContact CG-CB 3.57Å
381	F	98.8	Very high	98.4	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.009	8%	0.076	C	C	.	.	H	α-helix	trans	-63.6	-41	177	174.2	-108.1	0	0	0	112.6	G377 F378 A379 E383 F384 V385 F400 A442 L445 N446 R449 F457	G377-F381 WeakPolarHBondContact O-CB 3.47Å; G377-F381 PolarHBondContact O-N 3.35Å; F378-F381 PolarHBondContact O-N 3.4Å; A379-F381 PolarHBondContact O-N 3.15Å; F381-E383 VanDerWaalsContact C-N 3.29Å; F381-E383 PolarHBondContact O-N 3.46Å; F381-F384 PolarHBondContact O-N 3.23Å; F381-V385 HydrophobicContact CD1-CG2 4.17Å; F381-V385 HydrophobicContact CE1-CG2 3.55Å; F381-V385 HydrophobicContact CE2-CG2 4.07Å; F381-V385 HydrophobicContact CZ-CG2 3.48Å; F381-V385 VanDerWaalsContact CZ-CG2 3.48Å; F381-V385 PolarHBondContact O-N 3.49Å; F381-F400 HydrophobicContact CD2-CE2 4.49Å; F381-F400 HydrophobicContact CD2-CZ 4.49Å; F381-A442 HydrophobicContact CB-CB 3.94Å; F381-L445 HydrophobicContact CB-CB 4.48Å; F381-L445 HydrophobicContact CB-CD1 4.2Å; F381-L445 HydrophobicContact CD1-CB 4.44Å; F381-L445 HydrophobicContact CD2-CB 4.33Å; F381-L445 HydrophobicContact CG-CB 4.15Å; F381-N446 HydrophobicContact CD2-CB 4.13Å; F381-N446 HydrophobicContact CE2-CB 3.82Å; F381-R449 HydrophobicContact CZ-CB 4.45Å; F381-F457 AromaticContact CE1-CE1 3.69Å; F381-F457 HydrophobicContact CE1-CE1 3.69Å; F381-F457 HydrophobicContact CE1-CZ 4.03Å; F381-F457 HydrophobicContact CZ-CE1 4.3Å
382	M	98.6	Very high	98.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-70.4	-21.7	-178	-74.9	-63.2	166.8	0	0	113.6	Y293 Y296 F297 A356 F360 F378 A379 F384 V385 S386	Y293-M382 HydrophobicContact CE1-CB 4.09Å; Y293-M382 PolarHBondContact OH-O 2.87Å; Y296-M382 HydrophobicContact CE1-CE 4.38Å; F297-M382 HydrophobicContact CE1-CE 3.85Å; F297-M382 HydrophobicContact CE1-SD 4.18Å; F297-M382 HydrophobicContact CZ-CE 4.02Å; F297-M382 HydrophobicContact CZ-CG 4.32Å; F297-M382 HydrophobicContact CZ-SD 3.83Å; A356-M382 HydrophobicContact CB-CB 3.68Å; A356-M382 HydrophobicContact CB-CG 4.42Å; F360-M382 HydrophobicContact CD2-CG 4.33Å; F360-M382 HydrophobicContact CE2-CE 3.87Å; F360-M382 HydrophobicContact CE2-CG 3.96Å; F360-M382 HydrophobicContact CZ-CE 4.03Å; F378-M382 WeakPolarHBondContact O-CB 2.69Å; F378-M382 VanDerWaalsContact O-CG 3.25Å; F378-M382 WeakPolarHBondContact O-CG 3.2Å; F378-M382 PolarHBondContact O-N 3.42Å; A379-M382 PolarHBondContact O-N 2.91Å; A379-M382 VanDerWaalsContact O-N 3.16Å; M382-F384 VanDerWaalsContact C-N 3.29Å; M382-F384 PolarHBondContact O-N 3.49Å; M382-V385 PolarHBondContact O-N 2.83Å; M382-V385 HydrophobicContact SD-CB 4.13Å; M382-V385 HydrophobicContact SD-CG1 4.33Å; M382-V385 HydrophobicContact SD-CG2 4.37Å; M382-S386 VanDerWaalsContact O-CB 3.3Å; M382-S386 WeakPolarHBondContact O-CB 3.33Å; M382-S386 PolarHBondContact O-N 3.06Å; M382-S386 PolarHBondContact O-OG 3.48Å
383	E	98.4	Very high	98.3	Very high	10 Å²	10	22.4 Å²	22.4	5%	0.047	13%	0.126	C	C	.	.	H	α-helix	trans	-51.9	-50.9	167.5	-64.9	170.7	-142.3	0	0	110.7	M349 H353 A379 K380 F381 S386 V387	M349-E383 HydrophobicContact CE-CB 3.51Å; M349-E383 HydrophobicContact CE-CG 4.43Å; M349-E383 WeakPolarHBondContact CE-OE2 3.48Å; M349-E383 WeakPolarHBondContact O-CG 3.24Å; M349-E383 HydrophobicContact SD-CB 4.19Å; H353-E383 HydrophobicContact CB-CG 3.8Å; H353-E383 IonicContact CE1-OE1 3.6Å; H353-E383 IonicContact CG-OE1 2.66Å; H353-E383 IonicContact ND1-OE1 2.72Å; H353-E383 PolarHBondContact ND1-OE1 3.17Å; A379-E383 PolarHBondContact O-N 3.48Å; A379-E383 VanDerWaalsContact O-N 3.08Å; K380-E383 WeakPolarHBondContact CA-OE1 3.43Å; K380-E383 WeakPolarHBondContact CD-OE1 3.42Å; K380-E383 WeakPolarHBondContact CE-OE1 3.48Å; K380-E383 IonicContact NZ-OE1 2.68Å; K380-E383 PolarHBondContact NZ-OE1 2.86Å; K380-E383 IonicContact NZ-OE2 3.38Å; K380-E383 PolarHBondContact NZ-OE2 2.96Å; K380-E383 WeakPolarHBondContact O-CB 2.99Å; K380-E383 PolarHBondContact O-N 2.9Å; F381-E383 VanDerWaalsContact C-N 3.29Å; F381-E383 PolarHBondContact O-N 3.46Å; E383-S386 PolarHBondContact O-OG 3.47Å; E383-V387 WeakPolarHBondContact O-CB 3.34Å; E383-V387 WeakPolarHBondContact O-CG2 3.42Å; E383-V387 PolarHBondContact O-N 2.89Å
384	F	98.6	Very high	98.2	Very high	18 Å²	18	23.8 Å²	23.8	8%	0.079	13%	0.133	C	C	.	.	H	α-helix	trans	-73.2	-38.4	-175.3	-64.9	-92.2	0	0	0	112	M349 K380 F381 M382 S388 V396 F400 K403	M349-F384 HydrophobicContact CE-CD1 3.92Å; M349-F384 HydrophobicContact CE-CD2 3.99Å; M349-F384 HydrophobicContact CE-CE1 3.69Å; M349-F384 HydrophobicContact CE-CE2 3.77Å; M349-F384 HydrophobicContact CE-CG 4.07Å; M349-F384 HydrophobicContact CE-CZ 3.63Å; K380-F384 HydrophobicContact CD-CE2 4.26Å; K380-F384 VanDerWaalsContact O-CD2 3.31Å; K380-F384 WeakPolarHBondContact O-CD2 3.41Å; F381-F384 PolarHBondContact O-N 3.23Å; M382-F384 VanDerWaalsContact C-N 3.29Å; M382-F384 PolarHBondContact O-N 3.49Å; F384-S388 WeakPolarHBondContact O-CB 3.49Å; F384-S388 PolarHBondContact O-N 3.38Å; F384-S388 VanDerWaalsContact O-N 3.12Å; F384-S388 PolarHBondContact O-OG 3.49Å; F384-V396 HydrophobicContact CD1-CB 4.19Å; F384-V396 HydrophobicContact CD1-CG2 4.36Å; F384-V396 VanDerWaalsContact CD1-O 3.27Å; F384-V396 WeakPolarHBondContact CD1-O 3.38Å; F384-V396 WeakPolarHBondContact CE1-O 3.49Å; F384-F400 HydrophobicContact CB-CD2 4.16Å; F384-F400 HydrophobicContact CD1-CB 3.68Å; F384-F400 AromaticContact CD1-CD2 3.78Å; F384-F400 HydrophobicContact CD1-CD2 3.78Å; F384-F400 HydrophobicContact CD1-CG 4.22Å; F384-F400 AromaticContact CD2-CD2 3.42Å; F384-F400 HydrophobicContact CD2-CD2 3.42Å; F384-F400 VanDerWaalsContact CD2-CD2 3.42Å; F384-F400 AromaticContact CD2-CE2 3.91Å; F384-F400 HydrophobicContact CD2-CE2 3.91Å; F384-F400 VanDerWaalsContact CE1-CA 3.43Å; F384-F400 HydrophobicContact CE1-CB 3.78Å; F384-F400 AromaticContact CE1-CD2 3.96Å; F384-F400 HydrophobicContact CE1-CD2 3.96Å; F384-F400 HydrophobicContact CE1-CG 4.4Å; F384-F400 AromaticContact CE2-CD2 3.62Å; F384-F400 HydrophobicContact CE2-CD2 3.62Å; F384-F400 HydrophobicContact CE2-CE2 4.17Å; F384-F400 HydrophobicContact CG-CB 4.23Å; F384-F400 AromaticContact CG-CD2 3.5Å; F384-F400 HydrophobicContact CG-CD2 3.5Å; F384-F400 VanDerWaalsContact CG-CD2 3.5Å; F384-F400 HydrophobicContact CG-CE2 4.31Å; F384-F400 HydrophobicContact CG-CG 4.29Å; F384-F400 HydrophobicContact CZ-CB 4.4Å; F384-F400 AromaticContact CZ-CD2 3.88Å; F384-F400 HydrophobicContact CZ-CD2 3.88Å; F384-K403 HydrophobicContact CE2-CG 4.44Å; F384-K403 HydrophobicContact CZ-CG 4.07Å
385	V	98.5	Very high	98.1	Very high	13 Å²	13	30.1 Å²	30.1	8%	0.079	16%	0.16	C	C	.	.	H	α-helix	trans	-63.1	-48	176.4	177.2	0	0	0	0	110.9	F292 Y296 F381 M382 S388	F292-V385 HydrophobicContact CZ-CG1 4.21Å; Y296-V385 HydrophobicContact CE1-CG1 4.49Å; Y296-V385 HydrophobicContact CE2-CG1 4.14Å; F381-V385 HydrophobicContact CD1-CG2 4.17Å; F381-V385 HydrophobicContact CE1-CG2 3.55Å; F381-V385 HydrophobicContact CE2-CG2 4.07Å; F381-V385 HydrophobicContact CZ-CG2 3.48Å; F381-V385 VanDerWaalsContact CZ-CG2 3.48Å; F381-V385 PolarHBondContact O-N 3.49Å; M382-V385 PolarHBondContact O-N 2.83Å; M382-V385 HydrophobicContact SD-CB 4.13Å; M382-V385 HydrophobicContact SD-CG1 4.33Å; M382-V385 HydrophobicContact SD-CG2 4.37Å; V385-S388 PolarHBondContact O-OG 3.39Å
386	S	98.6	Very high	98	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-75	-44.7	-176.1	62.6	0	0	0	0	113	F292 Y293 M382 E383 S388 V389 T390	F292-S386 VanDerWaalsContact CD1-CB 3.49Å; F292-S386 VanDerWaalsContact CE1-CA 3.41Å; F292-S386 VanDerWaalsContact CE1-CB 3.41Å; Y293-S386 WeakPolarHBondContact OH-CB 3.47Å; Y293-S386 PolarHBondContact OH-OG 3.49Å; M382-S386 VanDerWaalsContact O-CB 3.3Å; M382-S386 WeakPolarHBondContact O-CB 3.33Å; M382-S386 PolarHBondContact O-N 3.06Å; M382-S386 PolarHBondContact O-OG 3.48Å; E383-S386 PolarHBondContact O-OG 3.47Å; S386-S388 VanDerWaalsContact C-N 3.34Å; S386-S388 PolarHBondContact O-N 3.47Å; S386-V389 PolarHBondContact O-N 3.17Å; S386-T390 WeakPolarHBondContact O-CB 3.43Å; S386-T390 WeakPolarHBondContact O-CG2 3.39Å; S386-T390 PolarHBondContact O-N 3.11Å; S386-T390 PolarHBondContact O-OG1 2.79Å
387	V	98.6	Very high	97.9	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-72.6	-29.7	-176.4	-180	0	0	0	0	111.2	L289 T348 M349 A352 E383 V389 T390 H391 L394 V396	L289-V387 HydrophobicContact CD2-CG2 4.21Å; T348-V387 HydrophobicContact CG2-CG1 3.94Å; T348-V387 HydrophobicContact CG2-CG2 4.03Å; M349-V387 HydrophobicContact SD-CB 4.02Å; M349-V387 HydrophobicContact SD-CG1 4.09Å; M349-V387 HydrophobicContact SD-CG2 3.89Å; A352-V387 HydrophobicContact CB-CG2 3.56Å; E383-V387 WeakPolarHBondContact O-CB 3.34Å; E383-V387 WeakPolarHBondContact O-CG2 3.42Å; E383-V387 PolarHBondContact O-N 2.89Å; V387-V389 PolarHBondContact O-N 2.85Å; V387-T390 WeakPolarHBondContact CA-OG1 3.29Å; V387-H391 HydrophobicContact CG1-CB 4.04Å; V387-H391 CarbonylContact O-C 3.22Å; V387-H391 VanDerWaalsContact O-C 3.23Å; V387-H391 WeakPolarHBondContact O-CA 3.22Å; V387-H391 PolarHBondContact O-N 3.18Å; V387-L394 HydrophobicContact CG1-CD1 4.05Å; V387-V396 HydrophobicContact CB-CG1 4.34Å; V387-V396 HydrophobicContact CB-CG2 3.9Å; V387-V396 HydrophobicContact CG1-CB 4.38Å; V387-V396 HydrophobicContact CG1-CG1 3.58Å; V387-V396 HydrophobicContact CG1-CG2 3.93Å
388	S	98.1	Very high	97.6	Very high	52 Å²	52	35.5 Å²	35.5	36%	0.364	20%	0.199	S	C	.	.	H	α-helix	trans	-63.3	-25.8	172.5	67.1	0	0	0	0	113.8	F384 V385 S386	F384-S388 WeakPolarHBondContact O-CB 3.49Å; F384-S388 PolarHBondContact O-N 3.38Å; F384-S388 VanDerWaalsContact O-N 3.12Å; F384-S388 PolarHBondContact O-OG 3.49Å; V385-S388 PolarHBondContact O-OG 3.39Å; S386-S388 VanDerWaalsContact C-N 3.34Å; S386-S388 PolarHBondContact O-N 3.47Å
389	V	98.4	Very high	97.5	Very high	91 Å²	91	39.1 Å²	39.1	55%	0.552	21%	0.213	S	C	*	.	H	α-helix	trans	-93.1	-44.7	177.7	177.3	0	0	0	0	111.7	F292 S386 V387	F292-V389 HydrophobicContact CD2-CB 4.15Å; F292-V389 HydrophobicContact CD2-CG1 3.94Å; F292-V389 HydrophobicContact CE2-CB 3.73Å; F292-V389 HydrophobicContact CE2-CG1 3.79Å; F292-V389 HydrophobicContact CE2-CG2 3.9Å; F292-V389 HydrophobicContact CZ-CG2 4.43Å; S386-V389 PolarHBondContact O-N 3.17Å; V387-V389 PolarHBondContact O-N 2.85Å
390	T	98.4	Very high	97.4	Very high	28 Å²	28	39.8 Å²	39.8	17%	0.172	22%	0.216	C	C	.	.	H	α-helix	trans	-79.6	-31.7	-174	56.3	0	0	0	0	113.2	T288 L289 F292 S386 V387	T288-T390 HydrophobicContact CG2-CG2 3.92Å; L289-T390 HydrophobicContact CD2-CG2 4.11Å; F292-T390 HydrophobicContact CB-CG2 3.73Å; F292-T390 HydrophobicContact CD2-CG2 4.23Å; F292-T390 HydrophobicContact CG-CG2 4.01Å; S386-T390 WeakPolarHBondContact O-CB 3.43Å; S386-T390 WeakPolarHBondContact O-CG2 3.39Å; S386-T390 PolarHBondContact O-N 3.11Å; S386-T390 PolarHBondContact O-OG1 2.79Å; V387-T390 WeakPolarHBondContact CA-OG1 3.29Å
391	H	97.9	Very high	97.2	Very high	22 Å²	22	38.7 Å²	38.7	10%	0.102	21%	0.211	C	C	.	.			trans	-135.4	61.7	-178.4	-60.6	81.6	0	0	0	110.5	V387 E393 L394	V387-H391 HydrophobicContact CG1-CB 4.04Å; V387-H391 CarbonylContact O-C 3.22Å; V387-H391 VanDerWaalsContact O-C 3.23Å; V387-H391 WeakPolarHBondContact O-CA 3.22Å; V387-H391 PolarHBondContact O-N 3.18Å; H391-E393 VanDerWaalsContact CA-OE2 3.25Å; H391-E393 WeakPolarHBondContact CA-OE2 3.27Å; H391-E393 IonicContact CD2-OE1 2.81Å; H391-E393 IonicContact CG-OE1 3.63Å; H391-E393 PolarHBondContact O-N 3.36Å; H391-E393 VanDerWaalsContact O-N 3.09Å; H391-L394 HydrophobicContact CB-CD1 3.71Å; H391-L394 HydrophobicContact CB-CG 3.96Å; H391-L394 WeakPolarHBondContact O-CB 3.49Å; H391-L394 PolarHBondContact O-N 2.81Å
392	P	97.8	Very high	97.1	Very high	80 Å²	80	39.5 Å²	39.5	52%	0.519	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-59.7	-23.9	-175.6	26.4	-35.6	0	0	0	113.1	L394 K395	P392-L394 PolarHBondContact O-N 2.79Å; P392-K395 PolarHBondContact O-N 2.91Å; P392-K395 VanDerWaalsContact O-N 3.15Å
393	E	96.4	Very high	97	Very high	123 Å²	123	42.6 Å²	42.6	58%	0.575	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-63.5	-23.2	174.9	75.5	-73.5	177.1	0	0	113.6	H391 K395	H391-E393 VanDerWaalsContact CA-OE2 3.25Å; H391-E393 WeakPolarHBondContact CA-OE2 3.27Å; H391-E393 IonicContact CD2-OE1 2.81Å; H391-E393 IonicContact CG-OE1 3.63Å; H391-E393 PolarHBondContact O-N 3.36Å; H391-E393 VanDerWaalsContact O-N 3.09Å; E393-K395 VanDerWaalsContact C-N 3.31Å
394	L	95.8	Very high	97	Very high	29 Å²	29	42.3 Å²	42.3	15%	0.152	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-78.8	-14.8	176.7	-62.7	-178.9	0	0	0	113	L345 T348 V387 H391 P392 V396 Y399	L345-L394 HydrophobicContact CD1-CB 4.36Å; L345-L394 HydrophobicContact CD1-CD1 4.18Å; T348-L394 HydrophobicContact CG2-CD1 4.01Å; V387-L394 HydrophobicContact CG1-CD1 4.05Å; H391-L394 HydrophobicContact CB-CD1 3.71Å; H391-L394 HydrophobicContact CB-CG 3.96Å; H391-L394 WeakPolarHBondContact O-CB 3.49Å; H391-L394 PolarHBondContact O-N 2.81Å; P392-L394 PolarHBondContact O-N 2.79Å; L394-V396 HydrophobicContact CB-CG1 3.87Å; L394-V396 PolarHBondContact O-N 2.78Å; L394-V396 VanDerWaalsContact O-N 3.17Å; L394-Y399 VanDerWaalsContact O-CE2 3.28Å; L394-Y399 WeakPolarHBondContact O-CE2 3.32Å
395	K	95.9	Very high	97	Very high	133 Å²	133	42 Å²	42	58%	0.578	23%	0.231	S	C	*	.			trans	48.3	39.8	178	-63.4	-170.7	174.7	-173.4	0	114.7	P392 E393 G397 D398	P392-K395 PolarHBondContact O-N 2.91Å; P392-K395 VanDerWaalsContact O-N 3.15Å; E393-K395 VanDerWaalsContact C-N 3.31Å; K395-G397 PolarHBondContact O-N 3.4Å; K395-G397 VanDerWaalsContact O-N 3.1Å; K395-D398 WeakPolarHBondContact O-CB 3.43Å; K395-D398 PolarHBondContact O-N 3.01Å
396	V	97	Very high	96.9	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-61.2	-25.8	-172.3	-60	0	0	0	0	114.6	L345 M349 F384 V387 L394 D398 Y399 F400	L345-V396 HydrophobicContact CD1-CG1 3.51Å; M349-V396 HydrophobicContact CE-CB 4.47Å; M349-V396 HydrophobicContact SD-CB 4.25Å; M349-V396 HydrophobicContact SD-CG1 3.86Å; F384-V396 HydrophobicContact CD1-CB 4.19Å; F384-V396 HydrophobicContact CD1-CG2 4.36Å; F384-V396 VanDerWaalsContact CD1-O 3.27Å; F384-V396 WeakPolarHBondContact CD1-O 3.38Å; F384-V396 WeakPolarHBondContact CE1-O 3.49Å; V387-V396 HydrophobicContact CB-CG1 4.34Å; V387-V396 HydrophobicContact CB-CG2 3.9Å; V387-V396 HydrophobicContact CG1-CB 4.38Å; V387-V396 HydrophobicContact CG1-CG1 3.58Å; V387-V396 HydrophobicContact CG1-CG2 3.93Å; L394-V396 HydrophobicContact CB-CG1 3.87Å; L394-V396 PolarHBondContact O-N 2.78Å; L394-V396 VanDerWaalsContact O-N 3.17Å; V396-D398 PolarHBondContact O-N 2.87Å; V396-Y399 PolarHBondContact O-N 2.88Å; V396-F400 PolarHBondContact O-N 3.27Å
397	G	94.8	Very high	96.8	Very high	41 Å²	41	44.5 Å²	44.5	42%	0.423	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-59	-30.3	175.4	0	0	0	0	0	113	K395 Y399	K395-G397 PolarHBondContact O-N 3.4Å; K395-G397 VanDerWaalsContact O-N 3.1Å; G397-Y399 VanDerWaalsContact C-N 3.25Å; G397-Y399 PolarHBondContact O-N 3.34Å
398	D	94.1	Very high	96.8	Very high	73 Å²	73	44.5 Å²	44.5	39%	0.39	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-70.4	-24.5	176.5	-63.8	-16.4	0	0	0	111.5	K395 V396 F401	K395-D398 WeakPolarHBondContact O-CB 3.43Å; K395-D398 PolarHBondContact O-N 3.01Å; V396-D398 PolarHBondContact O-N 2.87Å; D398-F401 VanDerWaalsContact O-CD1 3.28Å; D398-F401 WeakPolarHBondContact O-CD1 3.18Å; D398-F401 WeakPolarHBondContact O-CE1 3.33Å
399	Y	95.4	Very high	96.6	Very high	77 Å²	77	48.1 Å²	48.1	30%	0.302	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-90.9	-12.9	-178	-50.9	-39.4	0	0	0	113.8	L345 L394 V396 G397 F401 G402 I670 M671	L345-Y399 HydrophobicContact CD2-CD2 3.99Å; L345-Y399 HydrophobicContact CD2-CE2 3.91Å; L394-Y399 VanDerWaalsContact O-CE2 3.28Å; L394-Y399 WeakPolarHBondContact O-CE2 3.32Å; V396-Y399 PolarHBondContact O-N 2.88Å; G397-Y399 VanDerWaalsContact C-N 3.25Å; G397-Y399 PolarHBondContact O-N 3.34Å; Y399-F401 PolarHBondContact O-N 2.89Å; Y399-G402 PolarHBondContact O-N 3.06Å; Y399-I670 HydrophobicContact CE1-CG2 4.28Å; Y399-M671 HydrophobicContact CD1-CE 3.32Å; Y399-M671 HydrophobicContact CD1-CG 4.44Å; Y399-M671 HydrophobicContact CD1-SD 3.61Å; Y399-M671 HydrophobicContact CE1-CE 3.53Å; Y399-M671 HydrophobicContact CE1-SD 4.26Å
400	F	97.2	Very high	96.5	Very high	13 Å²	13	45.9 Å²	45.9	6%	0.057	24%	0.242	C	C	.	.	H	α-helix	trans	-57.7	-45.7	-171.5	178.2	-103.7	0	0	0	113.6	F381 F384 V396 G402 K403 A442 N446	F381-F400 HydrophobicContact CD2-CE2 4.49Å; F381-F400 HydrophobicContact CD2-CZ 4.49Å; F384-F400 HydrophobicContact CB-CD2 4.16Å; F384-F400 HydrophobicContact CD1-CB 3.68Å; F384-F400 AromaticContact CD1-CD2 3.78Å; F384-F400 HydrophobicContact CD1-CD2 3.78Å; F384-F400 HydrophobicContact CD1-CG 4.22Å; F384-F400 AromaticContact CD2-CD2 3.42Å; F384-F400 HydrophobicContact CD2-CD2 3.42Å; F384-F400 VanDerWaalsContact CD2-CD2 3.42Å; F384-F400 AromaticContact CD2-CE2 3.91Å; F384-F400 HydrophobicContact CD2-CE2 3.91Å; F384-F400 VanDerWaalsContact CE1-CA 3.43Å; F384-F400 HydrophobicContact CE1-CB 3.78Å; F384-F400 AromaticContact CE1-CD2 3.96Å; F384-F400 HydrophobicContact CE1-CD2 3.96Å; F384-F400 HydrophobicContact CE1-CG 4.4Å; F384-F400 AromaticContact CE2-CD2 3.62Å; F384-F400 HydrophobicContact CE2-CD2 3.62Å; F384-F400 HydrophobicContact CE2-CE2 4.17Å; F384-F400 HydrophobicContact CG-CB 4.23Å; F384-F400 AromaticContact CG-CD2 3.5Å; F384-F400 HydrophobicContact CG-CD2 3.5Å; F384-F400 VanDerWaalsContact CG-CD2 3.5Å; F384-F400 HydrophobicContact CG-CE2 4.31Å; F384-F400 HydrophobicContact CG-CG 4.29Å; F384-F400 HydrophobicContact CZ-CB 4.4Å; F384-F400 AromaticContact CZ-CD2 3.88Å; F384-F400 HydrophobicContact CZ-CD2 3.88Å; V396-F400 PolarHBondContact O-N 3.27Å; F400-G402 PolarHBondContact O-N 2.96Å; F400-G402 VanDerWaalsContact O-N 3.08Å; F400-K403 WeakPolarHBondContact O-CB 3.43Å; F400-K403 PolarHBondContact O-N 3.08Å; F400-A442 HydrophobicContact CE2-CB 4.19Å; F400-A442 HydrophobicContact CZ-CB 4.37Å; F400-N446 HydrophobicContact CD1-CB 4.43Å; F400-N446 HydrophobicContact CE1-CB 3.39Å; F400-N446 VanDerWaalsContact CE1-CG 3.48Å; F400-N446 HydrophobicContact CZ-CB 3.49Å; F400-N446 VanDerWaalsContact CZ-CB 3.49Å
401	F	94.3	Very high	96.4	Very high	6 Å²	6	44.6 Å²	44.6	3%	0.026	23%	0.234	C	C	.	.	H	α-helix	trans	-63	-21.6	-174.7	74.4	-93.7	0	0	0	113	D398 Y399 K403 C404 F405 M604 N634 A637 M671	D398-F401 VanDerWaalsContact O-CD1 3.28Å; D398-F401 WeakPolarHBondContact O-CD1 3.18Å; D398-F401 WeakPolarHBondContact O-CE1 3.33Å; Y399-F401 PolarHBondContact O-N 2.89Å; F401-K403 PolarHBondContact O-N 2.89Å; F401-C404 WeakPolarHBondContact O-CB 3.4Å; F401-C404 PolarHBondContact O-N 3.46Å; F401-F405 AromaticContact CD2-CD2 3.81Å; F401-F405 HydrophobicContact CD2-CD2 3.81Å; F401-F405 AromaticContact CD2-CE2 3.3Å; F401-F405 HydrophobicContact CD2-CE2 3.3Å; F401-F405 AromaticContact CD2-CZ 3.75Å; F401-F405 HydrophobicContact CD2-CZ 3.75Å; F401-F405 AromaticContact CE2-CD2 3.94Å; F401-F405 HydrophobicContact CE2-CD2 3.94Å; F401-F405 AromaticContact CE2-CE2 3.36Å; F401-F405 HydrophobicContact CE2-CE2 3.36Å; F401-F405 HydrophobicContact CE2-CZ 4.15Å; F401-F405 PolarHBondContact O-N 3.18Å; F401-M604 HydrophobicContact CB-CB 3.81Å; F401-M604 HydrophobicContact CB-CG 3.83Å; F401-M604 HydrophobicContact CD2-CG 4.38Å; F401-M604 HydrophobicContact CG-CB 4.25Å; F401-M604 HydrophobicContact CG-CG 4.41Å; F401-N634 HydrophobicContact CD1-CB 3.98Å; F401-N634 VanDerWaalsContact CD1-ND2 3.31Å; F401-N634 WeakPolarHBondContact CD1-ND2 3.35Å; F401-N634 HydrophobicContact CE1-CB 3.95Å; F401-N634 WeakPolarHBondContact CE1-OD1 3.46Å; F401-A637 HydrophobicContact CE2-CB 3.7Å; F401-A637 HydrophobicContact CZ-CB 3.61Å; F401-M671 HydrophobicContact CE1-CB 4.03Å; F401-M671 HydrophobicContact CE1-CG 3.82Å; F401-M671 HydrophobicContact CE1-SD 3.83Å; F401-M671 HydrophobicContact CZ-CB 3.82Å; F401-M671 HydrophobicContact CZ-CG 3.98Å; F401-M671 HydrophobicContact CZ-SD 3.77Å
402	G	95.4	Very high	96.2	Very high	20 Å²	20	43.6 Å²	43.6	21%	0.206	23%	0.229	C	C	.	.	H	α-helix	trans	-58.4	-36.7	173.7	0	0	0	0	0	112	Y399 F400 C404 F405 D406	Y399-G402 PolarHBondContact O-N 3.06Å; F400-G402 PolarHBondContact O-N 2.96Å; F400-G402 VanDerWaalsContact O-N 3.08Å; G402-C404 VanDerWaalsContact C-N 3.28Å; G402-C404 PolarHBondContact O-N 3.33Å; G402-F405 WeakPolarHBondContact O-CB 3.16Å; G402-F405 PolarHBondContact O-N 2.85Å; G402-F405 VanDerWaalsContact O-N 3.1Å; G402-D406 PolarHBondContact O-N 3.11Å
403	K	97.5	Very high	95.9	Very high	65 Å²	65	43.3 Å²	43.3	28%	0.283	22%	0.223	S	C	.	.	H	α-helix	trans	-62.3	-37	174	-60.8	-48.3	-168.4	173.8	0	112.5	F384 F400 F401 F405 D406 A407 D439	F384-K403 HydrophobicContact CE2-CG 4.44Å; F384-K403 HydrophobicContact CZ-CG 4.07Å; F400-K403 WeakPolarHBondContact O-CB 3.43Å; F400-K403 PolarHBondContact O-N 3.08Å; F401-K403 PolarHBondContact O-N 2.89Å; K403-F405 VanDerWaalsContact C-N 3.3Å; K403-F405 PolarHBondContact O-N 2.82Å; K403-D406 IonicContact NZ-OD2 3.49Å; K403-D406 PolarHBondContact O-N 2.88Å; K403-A407 PolarHBondContact O-N 3.28Å; K403-D439 HydrophobicContact CB-CB 4.1Å; K403-D439 WeakPolarHBondContact O-CB 3.23Å
404	C	98.3	Very high	95.6	Very high	4 Å²	4	42.2 Å²	42.2	3%	0.027	22%	0.221	C	C	.	.	H	α-helix	trans	-67	-35.2	176	-50.4	0	0	0	0	111.7	F401 G402 M408 C443 Y607	F401-C404 WeakPolarHBondContact O-CB 3.4Å; F401-C404 PolarHBondContact O-N 3.46Å; G402-C404 VanDerWaalsContact C-N 3.28Å; G402-C404 PolarHBondContact O-N 3.33Å; C404-M408 WeakPolarHBondContact O-CB 3.41Å; C404-M408 WeakPolarHBondContact O-CG 3.31Å; C404-M408 PolarHBondContact O-N 3.35Å; C404-C443 WeakPolarHBondContact CA-SG 3.41Å; C404-C443 HydrophobicContact CB-CB 4.01Å; C404-C443 WeakPolarHBondContact CB-SG 3.44Å; C404-C443 PolarHBondContact N-SG 2.58Å; C404-C443 VanDerWaalsContact N-SG 3.35Å; C404-C443 WeakPolarHBondContact SG-CB 3.41Å; C404-C443 CovalentContact SG-SG 2.04Å; C404-C443 PolarHBondContact SG-SG 3.49Å; C404-Y607 HydrophobicContact CB-CD2 4.18Å; C404-Y607 HydrophobicContact CB-CE2 4.3Å
405	F	97.7	Very high	95.4	Very high	11 Å²	11	45.5 Å²	45.5	5%	0.048	25%	0.247	C	C	.	.	H	α-helix	trans	-69.4	-42.1	174.2	-63.6	-28.8	0	0	0	112.9	F401 G402 K403 A407 M408 E409 M604 N641 Q675	F401-F405 AromaticContact CD2-CD2 3.81Å; F401-F405 HydrophobicContact CD2-CD2 3.81Å; F401-F405 AromaticContact CD2-CE2 3.3Å; F401-F405 HydrophobicContact CD2-CE2 3.3Å; F401-F405 AromaticContact CD2-CZ 3.75Å; F401-F405 HydrophobicContact CD2-CZ 3.75Å; F401-F405 AromaticContact CE2-CD2 3.94Å; F401-F405 HydrophobicContact CE2-CD2 3.94Å; F401-F405 AromaticContact CE2-CE2 3.36Å; F401-F405 HydrophobicContact CE2-CE2 3.36Å; F401-F405 HydrophobicContact CE2-CZ 4.15Å; F401-F405 PolarHBondContact O-N 3.18Å; G402-F405 WeakPolarHBondContact O-CB 3.16Å; G402-F405 PolarHBondContact O-N 2.85Å; G402-F405 VanDerWaalsContact O-N 3.1Å; K403-F405 VanDerWaalsContact C-N 3.3Å; K403-F405 PolarHBondContact O-N 2.82Å; F405-A407 VanDerWaalsContact C-N 3.34Å; F405-A407 PolarHBondContact O-N 2.91Å; F405-M408 HydrophobicContact CD1-SD 4.31Å; F405-M408 PolarHBondContact O-N 2.81Å; F405-E409 PolarHBondContact O-N 2.89Å; F405-E409 VanDerWaalsContact O-N 3.09Å; F405-M604 HydrophobicContact CD1-CE 4.1Å; F405-M604 HydrophobicContact CE1-CE 3.57Å; F405-M604 HydrophobicContact CE1-CG 3.73Å; F405-M604 HydrophobicContact CE1-SD 3.72Å; F405-M604 HydrophobicContact CZ-CG 3.8Å; F405-M604 HydrophobicContact CZ-SD 4.18Å; F405-N641 HydrophobicContact CD1-CB 4.23Å; F405-N641 WeakPolarHBondContact CD1-OD1 2.81Å; F405-N641 HydrophobicContact CD2-CB 4.26Å; F405-N641 HydrophobicContact CE1-CB 3.79Å; F405-N641 WeakPolarHBondContact CE1-OD1 3.2Å; F405-N641 HydrophobicContact CE2-CB 3.77Å; F405-N641 HydrophobicContact CG-CB 4.48Å; F405-N641 HydrophobicContact CZ-CB 3.58Å; F405-Q675 HydrophobicContact CE2-CG 4.35Å; F405-Q675 VanDerWaalsContact CE2-OE1 3.25Å
406	D	96.5	Very high	95.3	Very high	66 Å²	66	39.5 Å²	39.5	35%	0.353	22%	0.222	S	C	.	.	H	α-helix	trans	-55.2	-51.4	174	-64.2	-21.9	0	0	0	109.6	G402 K403 M408 E409	G402-D406 PolarHBondContact O-N 3.11Å; K403-D406 IonicContact NZ-OD2 3.49Å; K403-D406 PolarHBondContact O-N 2.88Å; D406-M408 PolarHBondContact O-N 2.79Å; D406-E409 WeakPolarHBondContact O-CB 3.42Å; D406-E409 PolarHBondContact O-N 3.44Å; D406-E409 VanDerWaalsContact O-N 3.11Å
407	A	97.9	Very high	95.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62	-38.9	176.6	0	0	0	0	0	113.3	K403 F405 E409 V410 D411 D439 K440 Y607	K403-A407 PolarHBondContact O-N 3.28Å; F405-A407 VanDerWaalsContact C-N 3.34Å; F405-A407 PolarHBondContact O-N 2.91Å; A407-E409 PolarHBondContact O-N 3.43Å; A407-V410 VanDerWaalsContact O-CG1 3.26Å; A407-V410 WeakPolarHBondContact O-CG1 3.14Å; A407-V410 PolarHBondContact O-N 3.4Å; A407-D411 WeakPolarHBondContact O-CB 3.46Å; A407-D411 PolarHBondContact O-N 3.16Å; A407-D439 HydrophobicContact CB-CB 3.89Å; A407-K440 HydrophobicContact CB-CB 3.99Å; A407-Y607 HydrophobicContact CB-CE2 4.12Å; A407-Y607 WeakPolarHBondContact CB-OH 3.44Å; A407-Y607 PolarHBondContact O-OH 3.37Å
408	M	97.9	Very high	95.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.1	-23.6	177.5	-78.1	178	178.1	0	0	112.8	C404 F405 D406 A412 F530 M604 Y607 I609	C404-M408 WeakPolarHBondContact O-CB 3.41Å; C404-M408 WeakPolarHBondContact O-CG 3.31Å; C404-M408 PolarHBondContact O-N 3.35Å; F405-M408 HydrophobicContact CD1-SD 4.31Å; F405-M408 PolarHBondContact O-N 2.81Å; D406-M408 PolarHBondContact O-N 2.79Å; M408-A412 WeakPolarHBondContact O-CB 3.17Å; M408-A412 PolarHBondContact O-N 3.1Å; M408-A412 VanDerWaalsContact O-N 3.12Å; M408-F530 HydrophobicContact CB-CD1 4.49Å; M408-F530 HydrophobicContact CB-CE1 3.7Å; M408-F530 HydrophobicContact CB-CZ 3.8Å; M408-F530 HydrophobicContact CE-CD2 4.26Å; M408-F530 HydrophobicContact CE-CE2 4.46Å; M408-F530 HydrophobicContact CE-CG 4.47Å; M408-F530 HydrophobicContact CG-CD1 3.94Å; M408-F530 HydrophobicContact CG-CE1 3.59Å; M408-F530 HydrophobicContact CG-CE2 4.21Å; M408-F530 HydrophobicContact CG-CG 4.4Å; M408-F530 HydrophobicContact CG-CZ 3.72Å; M408-F530 HydrophobicContact SD-CE2 4.19Å; M408-F530 HydrophobicContact SD-CZ 4.19Å; M408-M604 HydrophobicContact CE-CE 3.49Å; M408-M604 VanDerWaalsContact CE-CE 3.49Å; M408-M604 HydrophobicContact SD-CE 3.91Å; M408-Y607 HydrophobicContact CE-CD2 3.84Å; M408-Y607 HydrophobicContact CE-CE2 4.06Å; M408-Y607 HydrophobicContact CE-CG 4.1Å; M408-Y607 HydrophobicContact CG-CE2 3.89Å; M408-Y607 PolarHBondContact N-OH 3.3Å; M408-I609 HydrophobicContact CE-CG2 4.33Å; M408-I609 HydrophobicContact SD-CG2 3.86Å
409	E	94.8	Very high	95.6	Very high	128 Å²	128	37.3 Å²	37.3	60%	0.598	20%	0.2	S	C	*	.	H	α-helix	trans	-65.9	-47	177.4	-171.2	169.5	-171.6	0	0	111.7	F405 D406 A407	F405-E409 PolarHBondContact O-N 2.89Å; F405-E409 VanDerWaalsContact O-N 3.09Å; D406-E409 WeakPolarHBondContact O-CB 3.42Å; D406-E409 PolarHBondContact O-N 3.44Å; D406-E409 VanDerWaalsContact O-N 3.11Å; A407-E409 PolarHBondContact O-N 3.43Å
410	V	95.1	Very high	95.7	Very high	43 Å²	43	34.2 Å²	34.2	26%	0.261	19%	0.19	S	C	.	.	H	α-helix	trans	-76.6	-39.4	175.5	62.5	0	0	0	0	111.9	A407 A412 L413 D435 V436	A407-V410 VanDerWaalsContact O-CG1 3.26Å; A407-V410 WeakPolarHBondContact O-CG1 3.14Å; A407-V410 PolarHBondContact O-N 3.4Å; V410-A412 VanDerWaalsContact C-N 3.26Å; V410-A412 PolarHBondContact O-N 2.82Å; V410-L413 WeakPolarHBondContact O-CB 3.29Å; V410-L413 PolarHBondContact O-N 3.3Å; V410-L413 VanDerWaalsContact O-N 3.07Å; V410-D435 HydrophobicContact CG1-CB 4.22Å; V410-V436 HydrophobicContact CG1-CG2 4.14Å
411	D	95.9	Very high	95.7	Very high	1 Å²	1	35 Å²	35	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-74.6	-17.2	-173	-160.9	38.1	0	0	0	113.3	A407 L413 S416 K440 G529 F530 Y607	A407-D411 WeakPolarHBondContact O-CB 3.46Å; A407-D411 PolarHBondContact O-N 3.16Å; D411-L413 PolarHBondContact O-N 3.02Å; D411-S416 PolarHBondContact OD1-OG 3.24Å; D411-K440 IonicContact OD1-NZ 2.79Å; D411-K440 PolarHBondContact OD1-NZ 3.35Å; D411-K440 WeakPolarHBondContact OD2-CD 3.27Å; D411-K440 WeakPolarHBondContact OD2-CE 3.48Å; D411-K440 IonicContact OD2-NZ 3.62Å; D411-K440 PolarHBondContact OD2-NZ 3.35Å; D411-G529 VanDerWaalsContact CG-CA 3.43Å; D411-G529 WeakPolarHBondContact O-CA 3.45Å; D411-G529 WeakPolarHBondContact OD1-CA 3.41Å; D411-G529 PolarHBondContact OD1-N 3.04Å; D411-G529 WeakPolarHBondContact OD2-CA 3.38Å; D411-G529 PolarHBondContact OD2-N 3.41Å; D411-F530 HydrophobicContact CB-CD1 4.26Å; D411-F530 HydrophobicContact CB-CE1 4.41Å; D411-Y607 PolarHBondContact OD2-OH 3.4Å
412	A	94.2	Very high	95.8	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.008	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-9.8	170.5	0	0	0	0	0	114.1	M408 V410 F530 Y549 M550 K551	M408-A412 WeakPolarHBondContact O-CB 3.17Å; M408-A412 PolarHBondContact O-N 3.1Å; M408-A412 VanDerWaalsContact O-N 3.12Å; V410-A412 VanDerWaalsContact C-N 3.26Å; V410-A412 PolarHBondContact O-N 2.82Å; A412-F530 HydrophobicContact CB-CE1 4.03Å; A412-F530 HydrophobicContact CB-CZ 4.17Å; A412-Y549 HydrophobicContact CB-CD1 3.74Å; A412-Y549 HydrophobicContact CB-CE1 3.48Å; A412-Y549 VanDerWaalsContact CB-CE1 3.48Å; A412-M550 WeakPolarHBondContact O-CA 3.16Å; A412-K551 HydrophobicContact CB-CD 3.98Å; A412-K551 HydrophobicContact CB-CG 3.96Å; A412-K551 PolarHBondContact O-N 2.97Å
413	L	92.2	Very high	95.9	Very high	75 Å²	75	40.4 Å²	40.4	39%	0.393	23%	0.228	S	C	.	.	S	Bend	trans	-90.8	146.4	-178.7	-57.4	177.2	0	0	0	111.3	V410 D411 S415 S416 K551	V410-L413 WeakPolarHBondContact O-CB 3.29Å; V410-L413 PolarHBondContact O-N 3.3Å; V410-L413 VanDerWaalsContact O-N 3.07Å; D411-L413 PolarHBondContact O-N 3.02Å; L413-S415 PolarHBondContact O-N 3.24Å; L413-S415 VanDerWaalsContact O-N 3.08Å; L413-S416 VanDerWaalsContact O-CB 3.3Å; L413-S416 WeakPolarHBondContact O-CB 3.23Å; L413-S416 PolarHBondContact O-N 3.1Å; L413-K551 HydrophobicContact CD2-CB 4.38Å
414	N	89.2	Confident	95.8	Very high	100 Å²	100	41.7 Å²	41.7	54%	0.535	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-10.7	173.5	-171.9	46.7	0	0	0	113.5	R528 M550	N414-R528 PolarHBondContact O-NH1 3.33Å; N414-R528 PolarHBondContact OD1-NH2 3.2Å; N414-M550 HydrophobicContact CB-SD 4.13Å
415	S	91.7	Very high	95.6	Very high	98 Å²	98	44.1 Å²	44.1	69%	0.685	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-3.5	172.9	52.6	0	0	0	0	113.8	L413	L413-S415 PolarHBondContact O-N 3.24Å; L413-S415 VanDerWaalsContact O-N 3.08Å
416	S	94.3	Very high	95.5	Very high	7 Å²	7	44.6 Å²	44.6	5%	0.049	25%	0.252	C	S	.	.			trans	-64.5	164.1	173.2	-173.1	0	0	0	0	111.8	D411 L413 R528	D411-S416 PolarHBondContact OD1-OG 3.24Å; L413-S416 VanDerWaalsContact O-CB 3.3Å; L413-S416 WeakPolarHBondContact O-CB 3.23Å; L413-S416 PolarHBondContact O-N 3.1Å; S416-R528 VanDerWaalsContact O-CD 3.28Å; S416-R528 WeakPolarHBondContact O-CD 3.39Å; S416-R528 PolarHBondContact O-NH1 3.4Å
417	H	96.5	Very high	95.5	Very high	41 Å²	41	43.5 Å²	43.5	19%	0.19	25%	0.252	C	S	.	.			trans	-126.4	159.9	174.3	59.1	83.5	0	0	0	111.8	T421 D434	H417-T421 HydrophobicContact CB-CG2 4.12Å; H417-D434 IonicContact CE1-OD1 2.68Å; H417-D434 IonicContact CE1-OD2 3.31Å; H417-D434 IonicContact NE2-OD1 2.65Å; H417-D434 IonicContact NE2-OD2 2.79Å; H417-D434 PolarHBondContact NE2-OD2 2.91Å
418	P	97.9	Very high	95.4	Very high	27 Å²	27	47 Å²	47	18%	0.175	27%	0.268	C	S	.	.			trans	-59.3	154	168.1	-22.1	34.3	0	0	0	111.5	S420 T525 R528	P418-S420 VanDerWaalsContact C-N 3.28Å; P418-S420 PolarHBondContact O-N 3.39Å; P418-T525 WeakPolarHBondContact CB-O 3.37Å; P418-R528 HydrophobicContact CG-CB 4.44Å
419	V	97.8	Very high	95.3	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-59.1	-42.5	178.3	179.9	0	0	0	0	111	W373 V436 K440 I444 T525	W373-V419 HydrophobicContact CB-CG1 3.51Å; W373-V419 HydrophobicContact CD2-CG1 3.66Å; W373-V419 HydrophobicContact CE3-CG1 4.16Å; W373-V419 HydrophobicContact CG-CG1 3.32Å; V419-V436 HydrophobicContact CG2-CG1 4.06Å; V419-K440 HydrophobicContact CG2-CD 3.66Å; V419-K440 HydrophobicContact CG2-CG 3.86Å; V419-I444 HydrophobicContact CG2-CD1 4.4Å; V419-T525 HydrophobicContact CB-CG2 4.45Å; V419-T525 PolarHBondContact N-O 2.98Å; V419-T525 VanDerWaalsContact N-O 3.11Å
420	S	97.8	Very high	95.4	Very high	12 Å²	12	47.4 Å²	47.4	8%	0.084	26%	0.264	C	S	.	.	S	Bend	trans	-100.7	107.9	169.3	-77	0	0	0	0	109.5	N370 D371 W373 P418 T525	N370-S420 WeakPolarHBondContact O-CA 3.45Å; D371-S420 VanDerWaalsContact OD1-CB 3.23Å; D371-S420 WeakPolarHBondContact OD1-CB 3.44Å; D371-S420 PolarHBondContact OD1-OG 3.4Å; W373-S420 PolarHBondContact NE1-OG 2.67Å; P418-S420 VanDerWaalsContact C-N 3.28Å; P418-S420 PolarHBondContact O-N 3.39Å; S420-T525 PolarHBondContact N-O 2.94Å
421	T	95.8	Very high	95.4	Very high	31 Å²	31	51.6 Å²	51.6	19%	0.19	28%	0.281	C	S	.	.			trans	-136.3	141.6	-178.8	-171.6	0	0	0	0	112.4	N370 H417 V423 M432	N370-T421 VanDerWaalsContact CA-O 3.23Å; N370-T421 WeakPolarHBondContact CA-O 3.03Å; N370-T421 WeakPolarHBondContact CB-O 3.39Å; N370-T421 PolarHBondContact O-N 2.75Å; H417-T421 HydrophobicContact CB-CG2 4.12Å; T421-V423 PolarHBondContact O-N 3.41Å; T421-M432 HydrophobicContact CG2-CE 3.84Å; T421-M432 HydrophobicContact CG2-SD 3.41Å; T421-M432 WeakPolarHBondContact CG2-SD 3.3Å
422	P	97.6	Very high	95.3	Very high	121 Å²	121	51.7 Å²	51.7	79%	0.786	28%	0.281	S	S	*	.			trans	-63.7	132.7	-179.5	-21.8	33.4	0	0	0	113.2
423	V	96.9	Very high	95.4	Very high	18 Å²	18	54.3 Å²	54.3	11%	0.109	29%	0.293	C	S	.	.			trans	-135.8	151.7	172.5	-66.1	0	0	0	0	110.1	W368 W369 T421 Q428 I429 M432	W368-V423 PolarHBondContact NE1-O 3.34Å; W369-V423 HydrophobicContact CB-CG2 3.83Å; T421-V423 PolarHBondContact O-N 3.41Å; V423-Q428 HydrophobicContact CB-CB 3.97Å; V423-Q428 HydrophobicContact CG1-CB 4.04Å; V423-I429 HydrophobicContact CB-CG1 4.31Å; V423-I429 HydrophobicContact CG2-CG1 3.89Å; V423-M432 HydrophobicContact CB-CG 4.47Å; V423-M432 HydrophobicContact CG1-CG 3.65Å; V423-M432 HydrophobicContact CG1-SD 3.66Å; V423-M432 HydrophobicContact CG2-CG 4.12Å
424	E	94.8	Very high	95.6	Very high	92 Å²	92	52.4 Å²	52.4	43%	0.43	28%	0.283	S	S	.	.			trans	-131.6	-53.6	-177.4	-165.8	179.6	-178.9	0	0	113.2	I52 Q428	I52-E424 HydrophobicContact CB-CG 3.99Å; I52-E424 HydrophobicContact CD1-CG 3.99Å; I52-E424 HydrophobicContact CG1-CG 4.48Å; I52-E424 HydrophobicContact CG2-CG 4.24Å; E424-Q428 VanDerWaalsContact N-OE1 3.09Å
425	N	95.3	Very high	95.9	Very high	54 Å²	54	51.6 Å²	51.6	29%	0.289	28%	0.278	S	S	.	.	S	Bend	trans	-88.7	160.1	-175.2	72.1	62	0	0	0	112.6	I52 A427 Q428 I429	I52-N425 HydrophobicContact CD1-CB 4.16Å; N425-A427 PolarHBondContact O-N 3.22Å; N425-A427 VanDerWaalsContact O-N 3.11Å; N425-A427 WeakPolarHBondContact OD1-CB 3.43Å; N425-A427 PolarHBondContact OD1-N 3.46Å; N425-Q428 PolarHBondContact ND2-OE1 3.35Å; N425-Q428 VanDerWaalsContact ND2-OE1 3.11Å; N425-Q428 PolarHBondContact O-N 2.75Å; N425-Q428 VanDerWaalsContact O-N 3.15Å; N425-Q428 PolarHBondContact OD1-N 3.11Å; N425-I429 WeakPolarHBondContact O-CG1 3.44Å; N425-I429 PolarHBondContact O-N 3.09Å
426	P	95.3	Very high	96.2	Very high	22 Å²	22	46.9 Å²	46.9	14%	0.143	25%	0.246	C	C	.	.	H	α-helix	trans	-57.5	-28	-177.1	-29.5	37	0	0	0	115.7	R430	P426-R430 WeakPolarHBondContact O-CG 3.27Å; P426-R430 PolarHBondContact O-N 2.82Å; P426-R430 VanDerWaalsContact O-N 3.15Å; P426-R430 PolarHBondContact O-NE 3.17Å; P426-R430 PolarHBondContact O-NH1 3.33Å
427	A	95.8	Very high	96.3	Very high	43 Å²	43	46.6 Å²	46.6	36%	0.355	24%	0.243	S	C	.	.	H	α-helix	trans	-72.3	-47.4	177.3	0	0	0	0	0	111	N425 I429 R430 E431	N425-A427 PolarHBondContact O-N 3.22Å; N425-A427 VanDerWaalsContact O-N 3.11Å; N425-A427 WeakPolarHBondContact OD1-CB 3.43Å; N425-A427 PolarHBondContact OD1-N 3.46Å; A427-I429 VanDerWaalsContact C-N 3.3Å; A427-I429 PolarHBondContact O-N 2.71Å; A427-R430 PolarHBondContact O-N 3.13Å; A427-R430 VanDerWaalsContact O-N 3.15Å; A427-E431 WeakPolarHBondContact O-CG 3.43Å; A427-E431 PolarHBondContact O-N 2.99Å
428	Q	95.8	Very high	96.4	Very high	72 Å²	72	47 Å²	47	34%	0.336	24%	0.244	S	C	.	.	H	α-helix	trans	-60.6	-39.4	174.2	-68.5	170.5	-27.8	0	0	112	V423 E424 N425 R430 E431 M432	V423-Q428 HydrophobicContact CB-CB 3.97Å; V423-Q428 HydrophobicContact CG1-CB 4.04Å; E424-Q428 VanDerWaalsContact N-OE1 3.09Å; N425-Q428 PolarHBondContact ND2-OE1 3.35Å; N425-Q428 VanDerWaalsContact ND2-OE1 3.11Å; N425-Q428 PolarHBondContact O-N 2.75Å; N425-Q428 VanDerWaalsContact O-N 3.15Å; N425-Q428 PolarHBondContact OD1-N 3.11Å; Q428-R430 VanDerWaalsContact C-N 3.32Å; Q428-R430 PolarHBondContact O-N 3.17Å; Q428-E431 WeakPolarHBondContact O-CB 3.4Å; Q428-E431 PolarHBondContact O-N 3.1Å; Q428-M432 PolarHBondContact O-N 3.16Å
429	I	97	Very high	96.5	Very high	2 Å²	2	46 Å²	46	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-62.6	-41.3	176.6	-66.3	164.1	0	0	0	110.6	P184 T185 W368 W369 V423 N425 A427 E431 M432 F433	P184-I429 HydrophobicContact CB-CG2 3.49Å; P184-I429 VanDerWaalsContact CB-CG2 3.49Å; P184-I429 HydrophobicContact CG-CG2 3.66Å; T185-I429 HydrophobicContact CG2-CD1 4.02Å; W368-I429 HydrophobicContact CH2-CD1 3.93Å; W368-I429 HydrophobicContact CZ2-CD1 3.82Å; W368-I429 HydrophobicContact CZ2-CG1 4.45Å; W369-I429 HydrophobicContact CB-CB 4.43Å; W369-I429 HydrophobicContact CB-CG1 4.05Å; W369-I429 HydrophobicContact CB-CG2 3.75Å; W369-I429 HydrophobicContact CD2-CG2 3.57Å; W369-I429 HydrophobicContact CE3-CG2 4.01Å; W369-I429 HydrophobicContact CG-CB 4.37Å; W369-I429 HydrophobicContact CG-CD1 4.23Å; W369-I429 HydrophobicContact CG-CG1 4.06Å; W369-I429 HydrophobicContact CG-CG2 3.41Å; W369-I429 VanDerWaalsContact CG-CG2 3.41Å; V423-I429 HydrophobicContact CB-CG1 4.31Å; V423-I429 HydrophobicContact CG2-CG1 3.89Å; N425-I429 WeakPolarHBondContact O-CG1 3.44Å; N425-I429 PolarHBondContact O-N 3.09Å; A427-I429 VanDerWaalsContact C-N 3.3Å; A427-I429 PolarHBondContact O-N 2.71Å; I429-E431 VanDerWaalsContact C-N 3.3Å; I429-E431 PolarHBondContact O-N 2.99Å; I429-M432 WeakPolarHBondContact O-CB 3.16Å; I429-M432 PolarHBondContact O-N 3.14Å; I429-F433 HydrophobicContact CG2-CE2 4.49Å; I429-F433 WeakPolarHBondContact O-CD2 3.3Å
430	R	95.8	Very high	96.5	Very high	135 Å²	135	46 Å²	46	51%	0.509	24%	0.237	S	C	.	.	H	α-helix	trans	-66.6	-30.8	175.5	-76.5	-175.2	-64.1	-90.6	1.3	113.1	P184 P426 A427 Q428 M432 F433	P184-R430 HydrophobicContact CG-CG 3.9Å; P426-R430 WeakPolarHBondContact O-CG 3.27Å; P426-R430 PolarHBondContact O-N 2.82Å; P426-R430 VanDerWaalsContact O-N 3.15Å; P426-R430 PolarHBondContact O-NE 3.17Å; P426-R430 PolarHBondContact O-NH1 3.33Å; A427-R430 PolarHBondContact O-N 3.13Å; A427-R430 VanDerWaalsContact O-N 3.15Å; Q428-R430 VanDerWaalsContact C-N 3.32Å; Q428-R430 PolarHBondContact O-N 3.17Å; R430-M432 PolarHBondContact O-N 3.12Å; R430-F433 PolarHBondContact O-N 3.43Å
431	E	95.2	Very high	96.5	Very high	131 Å²	131	45.4 Å²	45.4	61%	0.612	23%	0.233	S	C	*	.	H	α-helix	trans	-65.9	-20.8	175.3	-71.5	168.4	178	0	0	112.6	A427 Q428 I429 F433	A427-E431 WeakPolarHBondContact O-CG 3.43Å; A427-E431 PolarHBondContact O-N 2.99Å; Q428-E431 WeakPolarHBondContact O-CB 3.4Å; Q428-E431 PolarHBondContact O-N 3.1Å; I429-E431 VanDerWaalsContact C-N 3.3Å; I429-E431 PolarHBondContact O-N 2.99Å; E431-F433 PolarHBondContact O-N 3.4Å
432	M	95.3	Very high	96.7	Very high	4 Å²	4	44 Å²	44	2%	0.02	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-16.3	173.9	-64.3	-65.1	-62	0	0	113.4	L372 T421 V423 Q428 I429 R430 D434 S437	L372-M432 HydrophobicContact CB-CB 4.48Å; L372-M432 HydrophobicContact CD2-CB 3.74Å; T421-M432 HydrophobicContact CG2-CE 3.84Å; T421-M432 HydrophobicContact CG2-SD 3.41Å; T421-M432 WeakPolarHBondContact CG2-SD 3.3Å; V423-M432 HydrophobicContact CB-CG 4.47Å; V423-M432 HydrophobicContact CG1-CG 3.65Å; V423-M432 HydrophobicContact CG1-SD 3.66Å; V423-M432 HydrophobicContact CG2-CG 4.12Å; Q428-M432 PolarHBondContact O-N 3.16Å; I429-M432 WeakPolarHBondContact O-CB 3.16Å; I429-M432 PolarHBondContact O-N 3.14Å; R430-M432 PolarHBondContact O-N 3.12Å; M432-D434 PolarHBondContact O-N 3.04Å; M432-S437 WeakPolarHBondContact O-CB 3.42Å; M432-S437 PolarHBondContact O-OG 3.33Å
433	F	95.2	Very high	96.7	Very high	56 Å²	56	38.3 Å²	38.3	25%	0.246	19%	0.187	C	C	.	.	S	Bend	trans	-84	69.3	177.4	-67.3	-99.3	0	0	0	109.8	E183 P184 W369 L372 I429 R430 E431 Y438	E183-F433 HydrophobicContact CG-CE1 4.21Å; E183-F433 HydrophobicContact CG-CZ 3.79Å; P184-F433 HydrophobicContact CB-CE2 3.99Å; P184-F433 HydrophobicContact CB-CZ 4.2Å; P184-F433 HydrophobicContact CG-CE2 4.08Å; W369-F433 HydrophobicContact CE3-CE2 4.39Å; W369-F433 HydrophobicContact CE3-CZ 4.23Å; W369-F433 HydrophobicContact CZ3-CE2 4.43Å; W369-F433 AromaticContact CZ3-CZ 3.88Å; W369-F433 HydrophobicContact CZ3-CZ 3.88Å; L372-F433 HydrophobicContact CD1-CE1 3.97Å; L372-F433 HydrophobicContact CD1-CZ 3.86Å; L372-F433 HydrophobicContact CD2-CD1 3.82Å; L372-F433 HydrophobicContact CD2-CD2 3.63Å; L372-F433 HydrophobicContact CD2-CE1 3.75Å; L372-F433 HydrophobicContact CD2-CE2 3.57Å; L372-F433 HydrophobicContact CD2-CG 3.76Å; L372-F433 HydrophobicContact CD2-CZ 3.63Å; L372-F433 HydrophobicContact CG-CE1 4.47Å; L372-F433 HydrophobicContact CG-CZ 4.42Å; I429-F433 HydrophobicContact CG2-CE2 4.49Å; I429-F433 WeakPolarHBondContact O-CD2 3.3Å; R430-F433 PolarHBondContact O-N 3.43Å; E431-F433 PolarHBondContact O-N 3.4Å; F433-Y438 HydrophobicContact CB-CE2 4.26Å; F433-Y438 HydrophobicContact CD1-CE2 4.24Å
434	D	95.9	Very high	96.8	Very high	35 Å²	35	37.4 Å²	37.4	19%	0.187	18%	0.182	C	C	.	.	S	Bend	trans	-136.9	174.9	-171.9	80.9	-31.1	0	0	0	112.8	H417 M432 V436 S437 Y438	H417-D434 IonicContact CE1-OD1 2.68Å; H417-D434 IonicContact CE1-OD2 3.31Å; H417-D434 IonicContact NE2-OD1 2.65Å; H417-D434 IonicContact NE2-OD2 2.79Å; H417-D434 PolarHBondContact NE2-OD2 2.91Å; M432-D434 PolarHBondContact O-N 3.04Å; D434-V436 PolarHBondContact O-N 3.19Å; D434-V436 WeakPolarHBondContact OD1-CB 3.47Å; D434-V436 PolarHBondContact OD1-N 3.15Å; D434-V436 WeakPolarHBondContact OD2-CB 3.31Å; D434-V436 WeakPolarHBondContact OD2-CG2 3.37Å; D434-S437 PolarHBondContact O-N 2.83Å; D434-S437 VanDerWaalsContact O-N 3.14Å; D434-S437 PolarHBondContact OD1-N 3.37Å; D434-Y438 VanDerWaalsContact O-CD2 3.28Å; D434-Y438 WeakPolarHBondContact O-CD2 3.37Å; D434-Y438 PolarHBondContact O-N 3.19Å; D434-Y438 VanDerWaalsContact O-N 3.1Å
435	D	96.9	Very high	97	Very high	82 Å²	82	33 Å²	33	44%	0.439	16%	0.161	S	C	.	.	H	α-helix	trans	-63	-17.8	-177.3	-56.8	-25.2	0	0	0	112.7	V410 D439 K440	V410-D435 HydrophobicContact CG1-CB 4.22Å; D435-D439 WeakPolarHBondContact O-CA 3.07Å; D435-D439 WeakPolarHBondContact O-CB 3.35Å; D435-D439 PolarHBondContact O-N 3.28Å; D435-K440 PolarHBondContact O-N 3Å
436	V	97.5	Very high	97.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.151	C	C	.	.	I	π-helix	trans	-71.8	-50.5	173.5	178.7	0	0	0	0	110.8	V410 V419 D434 K440 G441	V410-V436 HydrophobicContact CG1-CG2 4.14Å; V419-V436 HydrophobicContact CG2-CG1 4.06Å; D434-V436 PolarHBondContact O-N 3.19Å; D434-V436 WeakPolarHBondContact OD1-CB 3.47Å; D434-V436 PolarHBondContact OD1-N 3.15Å; D434-V436 WeakPolarHBondContact OD2-CB 3.31Å; D434-V436 WeakPolarHBondContact OD2-CG2 3.37Å; V436-K440 HydrophobicContact CG1-CD 4.26Å; V436-K440 WeakPolarHBondContact O-CB 3.11Å; V436-G441 PolarHBondContact O-N 2.71Å; V436-G441 VanDerWaalsContact O-N 3.14Å
437	S	97.2	Very high	97.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.145	C	C	.	.	I	π-helix	trans	-68.1	-39.7	179.2	-65.5	0	0	0	0	112.7	G377 M432 D434	G377-S437 WeakPolarHBondContact CA-O 3.46Å; G377-S437 PolarHBondContact N-O 2.9Å; M432-S437 WeakPolarHBondContact O-CB 3.42Å; M432-S437 PolarHBondContact O-OG 3.33Å; D434-S437 PolarHBondContact O-N 2.83Å; D434-S437 VanDerWaalsContact O-N 3.14Å; D434-S437 PolarHBondContact OD1-N 3.37Å
438	Y	98.3	Very high	97.4	Very high	51 Å²	51	28.2 Å²	28.2	20%	0.2	13%	0.128	C	C	.	.	I	π-helix	trans	-80.2	-68.7	-178.6	-76.9	-97.8	0	0	0	112	H353 E376 F433 D434 A442	H353-Y438 AromaticContact CE1-CE1 3.84Å; H353-Y438 AromaticContact NE2-CE1 3.8Å; E376-Y438 HydrophobicContact CB-CD1 3.93Å; E376-Y438 HydrophobicContact CB-CD2 4.06Å; E376-Y438 HydrophobicContact CB-CE1 3.88Å; E376-Y438 HydrophobicContact CB-CE2 4.02Å; E376-Y438 HydrophobicContact CB-CG 4.02Å; E376-Y438 HydrophobicContact CG-CD2 4.35Å; E376-Y438 HydrophobicContact CG-CE1 4.01Å; E376-Y438 HydrophobicContact CG-CE2 3.82Å; E376-Y438 PolarHBondContact OE1-OH 3.13Å; E376-Y438 WeakPolarHBondContact OE2-CE1 3.29Å; E376-Y438 PolarHBondContact OE2-OH 2.96Å; F433-Y438 HydrophobicContact CB-CE2 4.26Å; F433-Y438 HydrophobicContact CD1-CE2 4.24Å; D434-Y438 VanDerWaalsContact O-CD2 3.28Å; D434-Y438 WeakPolarHBondContact O-CD2 3.37Å; D434-Y438 PolarHBondContact O-N 3.19Å; D434-Y438 VanDerWaalsContact O-N 3.1Å; Y438-A442 WeakPolarHBondContact O-CB 3.23Å; Y438-A442 PolarHBondContact O-N 3.34Å
439	D	98.5	Very high	97.4	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.027	12%	0.123	C	C	.	.	I	π-helix	trans	-82.2	-46.7	-164.9	-71.9	-18.9	0	0	0	111.4	K403 A407 D435 G441 A442 C443	K403-D439 HydrophobicContact CB-CB 4.1Å; K403-D439 WeakPolarHBondContact O-CB 3.23Å; A407-D439 HydrophobicContact CB-CB 3.89Å; D435-D439 WeakPolarHBondContact O-CA 3.07Å; D435-D439 WeakPolarHBondContact O-CB 3.35Å; D435-D439 PolarHBondContact O-N 3.28Å; D439-G441 VanDerWaalsContact C-N 3.33Å; D439-G441 PolarHBondContact O-N 3.02Å; D439-A442 PolarHBondContact O-N 3.26Å; D439-C443 WeakPolarHBondContact O-CB 3.3Å; D439-C443 PolarHBondContact O-N 3.04Å; D439-C443 PolarHBondContact O-SG 3.08Å
440	K	98.7	Very high	97.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.135	C	C	.	.	I	π-helix	trans	-62.2	-42.5	173	176.4	174.9	179.4	175	0	110.9	A407 D411 V419 D435 V436 A442 C443 I444 G529 Y607	A407-K440 HydrophobicContact CB-CB 3.99Å; D411-K440 IonicContact OD1-NZ 2.79Å; D411-K440 PolarHBondContact OD1-NZ 3.35Å; D411-K440 WeakPolarHBondContact OD2-CD 3.27Å; D411-K440 WeakPolarHBondContact OD2-CE 3.48Å; D411-K440 IonicContact OD2-NZ 3.62Å; D411-K440 PolarHBondContact OD2-NZ 3.35Å; V419-K440 HydrophobicContact CG2-CD 3.66Å; V419-K440 HydrophobicContact CG2-CG 3.86Å; D435-K440 PolarHBondContact O-N 3Å; V436-K440 HydrophobicContact CG1-CD 4.26Å; V436-K440 WeakPolarHBondContact O-CB 3.11Å; K440-A442 VanDerWaalsContact C-N 3.35Å; K440-A442 PolarHBondContact O-N 2.96Å; K440-C443 PolarHBondContact O-N 3.04Å; K440-I444 HydrophobicContact CG-CG2 4.28Å; K440-I444 WeakPolarHBondContact O-CG1 3.47Å; K440-I444 PolarHBondContact O-N 3.26Å; K440-G529 PolarHBondContact NZ-O 2.97Å; K440-Y607 HydrophobicContact CB-CE2 4.34Å; K440-Y607 HydrophobicContact CD-CE1 3.66Å; K440-Y607 HydrophobicContact CG-CD1 4.3Å; K440-Y607 HydrophobicContact CG-CE1 3.71Å; K440-Y607 HydrophobicContact CG-CE2 4.26Å
441	G	98.5	Very high	97.2	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-51.5	-50.7	172.8	0	0	0	0	0	112.4	V436 D439 I444 L445	V436-G441 PolarHBondContact O-N 2.71Å; V436-G441 VanDerWaalsContact O-N 3.14Å; D439-G441 VanDerWaalsContact C-N 3.33Å; D439-G441 PolarHBondContact O-N 3.02Å; G441-I444 VanDerWaalsContact O-CG1 3.28Å; G441-I444 WeakPolarHBondContact O-CG1 3.44Å; G441-L445 VanDerWaalsContact O-CG 3.29Å; G441-L445 WeakPolarHBondContact O-CG 3.28Å; G441-L445 PolarHBondContact O-N 3.01Å
442	A	98.8	Very high	97	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.9	-41.4	177	0	0	0	0	0	113.3	G377 K380 F381 F400 Y438 D439 K440 L445 N446	G377-A442 WeakPolarHBondContact O-CA 3.46Å; K380-A442 HydrophobicContact CB-CB 3.92Å; K380-A442 HydrophobicContact CG-CB 3.57Å; F381-A442 HydrophobicContact CB-CB 3.94Å; F400-A442 HydrophobicContact CE2-CB 4.19Å; F400-A442 HydrophobicContact CZ-CB 4.37Å; Y438-A442 WeakPolarHBondContact O-CB 3.23Å; Y438-A442 PolarHBondContact O-N 3.34Å; D439-A442 PolarHBondContact O-N 3.26Å; K440-A442 VanDerWaalsContact C-N 3.35Å; K440-A442 PolarHBondContact O-N 2.96Å; A442-L445 PolarHBondContact O-N 2.78Å; A442-N446 PolarHBondContact O-N 3.11Å
443	C	98.8	Very high	96.9	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.014	12%	0.121	C	C	.	.	H	α-helix	trans	-64.6	-41.3	-179.2	-68.7	0	0	0	0	112.9	C404 D439 K440 L445 N446 M447 Y607	C404-C443 WeakPolarHBondContact CA-SG 3.41Å; C404-C443 HydrophobicContact CB-CB 4.01Å; C404-C443 WeakPolarHBondContact CB-SG 3.44Å; C404-C443 PolarHBondContact N-SG 2.58Å; C404-C443 VanDerWaalsContact N-SG 3.35Å; C404-C443 WeakPolarHBondContact SG-CB 3.41Å; C404-C443 CovalentContact SG-SG 2.04Å; C404-C443 PolarHBondContact SG-SG 3.49Å; D439-C443 WeakPolarHBondContact O-CB 3.3Å; D439-C443 PolarHBondContact O-N 3.04Å; D439-C443 PolarHBondContact O-SG 3.08Å; K440-C443 PolarHBondContact O-N 3.04Å; C443-L445 VanDerWaalsContact C-N 3.32Å; C443-N446 PolarHBondContact O-N 2.99Å; C443-M447 WeakPolarHBondContact O-CB 3.42Å; C443-M447 PolarHBondContact O-N 3.26Å; C443-Y607 HydrophobicContact CB-CD2 3.62Å; C443-Y607 HydrophobicContact CB-CE2 4.16Å; C443-Y607 HydrophobicContact CB-CG 4.45Å
444	I	98.6	Very high	96.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-71.3	-29	176.7	67.5	174.7	0	0	0	111.9	W373 V419 K440 G441 M447 L448 M521 W524 T525 Y607	W373-I444 HydrophobicContact CZ3-CD1 4.48Å; V419-I444 HydrophobicContact CG2-CD1 4.4Å; K440-I444 HydrophobicContact CG-CG2 4.28Å; K440-I444 WeakPolarHBondContact O-CG1 3.47Å; K440-I444 PolarHBondContact O-N 3.26Å; G441-I444 VanDerWaalsContact O-CG1 3.28Å; G441-I444 WeakPolarHBondContact O-CG1 3.44Å; I444-M447 HydrophobicContact CB-CE 4.41Å; I444-M447 HydrophobicContact CG2-CE 4.45Å; I444-L448 WeakPolarHBondContact O-CB 3.41Å; I444-L448 PolarHBondContact O-N 3.11Å; I444-M521 HydrophobicContact CB-CE 4.15Å; I444-M521 HydrophobicContact CD1-CE 4.23Å; I444-M521 HydrophobicContact CG1-CE 4.24Å; I444-W524 HydrophobicContact CB-CB 4.49Å; I444-W524 HydrophobicContact CD1-CB 4.22Å; I444-W524 HydrophobicContact CG2-CB 4.25Å; I444-W524 HydrophobicContact CG2-CE3 4.22Å; I444-T525 HydrophobicContact CD1-CG2 3.8Å; I444-Y607 HydrophobicContact CG2-CD1 4.41Å; I444-Y607 HydrophobicContact CG2-CG 4.31Å
445	L	98.6	Very high	96.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-68.5	-42.9	171.1	-71.1	172.9	0	0	0	111.9	W373 F378 F381 G441 A442 C443 L448 R449 F457	W373-L445 HydrophobicContact CH2-CD2 4.47Å; W373-L445 HydrophobicContact CZ3-CD1 4.28Å; W373-L445 HydrophobicContact CZ3-CD2 4.08Å; W373-L445 HydrophobicContact CZ3-CG 4.12Å; F378-L445 HydrophobicContact CB-CD1 4.46Å; F378-L445 HydrophobicContact CD1-CD1 3.72Å; F378-L445 HydrophobicContact CD2-CD1 3.81Å; F378-L445 HydrophobicContact CE1-CD1 3.69Å; F378-L445 HydrophobicContact CE1-CD2 3.85Å; F378-L445 HydrophobicContact CE1-CG 4.39Å; F378-L445 HydrophobicContact CE2-CD1 3.83Å; F378-L445 HydrophobicContact CE2-CD2 3.86Å; F378-L445 HydrophobicContact CE2-CG 4.5Å; F378-L445 HydrophobicContact CG-CD1 3.77Å; F378-L445 HydrophobicContact CZ-CD1 3.78Å; F378-L445 HydrophobicContact CZ-CD2 3.39Å; F378-L445 HydrophobicContact CZ-CG 4.24Å; F381-L445 HydrophobicContact CB-CB 4.48Å; F381-L445 HydrophobicContact CB-CD1 4.2Å; F381-L445 HydrophobicContact CD1-CB 4.44Å; F381-L445 HydrophobicContact CD2-CB 4.33Å; F381-L445 HydrophobicContact CG-CB 4.15Å; G441-L445 VanDerWaalsContact O-CG 3.29Å; G441-L445 WeakPolarHBondContact O-CG 3.28Å; G441-L445 PolarHBondContact O-N 3.01Å; A442-L445 PolarHBondContact O-N 2.78Å; C443-L445 VanDerWaalsContact C-N 3.32Å; L445-L448 PolarHBondContact O-N 3.05Å; L445-R449 WeakPolarHBondContact O-CB 3.23Å; L445-R449 PolarHBondContact O-N 3.38Å; L445-F457 HydrophobicContact CB-CZ 4.43Å; L445-F457 HydrophobicContact CD2-CE2 4.33Å; L445-F457 HydrophobicContact CD2-CZ 4.24Å
446	N	98.5	Very high	96.4	Very high	13 Å²	13	24.6 Å²	24.6	7%	0.07	13%	0.129	C	C	.	.	H	α-helix	trans	-60.9	-47.2	173.8	-176.6	68	0	0	0	111.3	F381 F400 A442 C443 L448 R449 E450 N605	F381-N446 HydrophobicContact CD2-CB 4.13Å; F381-N446 HydrophobicContact CE2-CB 3.82Å; F400-N446 HydrophobicContact CD1-CB 4.43Å; F400-N446 HydrophobicContact CE1-CB 3.39Å; F400-N446 VanDerWaalsContact CE1-CG 3.48Å; F400-N446 HydrophobicContact CZ-CB 3.49Å; F400-N446 VanDerWaalsContact CZ-CB 3.49Å; A442-N446 PolarHBondContact O-N 3.11Å; C443-N446 PolarHBondContact O-N 2.99Å; N446-L448 VanDerWaalsContact C-N 3.29Å; N446-L448 PolarHBondContact O-N 3.01Å; N446-R449 WeakPolarHBondContact O-CB 3.45Å; N446-R449 PolarHBondContact O-N 2.91Å; N446-E450 WeakPolarHBondContact O-CG 3.39Å; N446-E450 PolarHBondContact O-N 3.22Å; N446-N605 PolarHBondContact ND2-OD1 3.34Å
447	M	98.3	Very high	96.3	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.02	13%	0.129	C	C	.	.	H	α-helix	trans	-57.4	-42.1	175.3	179.3	-178.6	70.2	0	0	111.9	C443 I444 E450 Y451 M520 W524 P566 N605	C443-M447 WeakPolarHBondContact O-CB 3.42Å; C443-M447 PolarHBondContact O-N 3.26Å; I444-M447 HydrophobicContact CB-CE 4.41Å; I444-M447 HydrophobicContact CG2-CE 4.45Å; M447-E450 PolarHBondContact O-N 2.96Å; M447-Y451 WeakPolarHBondContact O-CB 3.44Å; M447-Y451 PolarHBondContact O-N 3.26Å; M447-M520 HydrophobicContact CE-CE 4.41Å; M447-W524 HydrophobicContact CE-CD2 3.57Å; M447-W524 HydrophobicContact CE-CE3 4.14Å; M447-W524 HydrophobicContact CE-CG 3.9Å; M447-W524 HydrophobicContact CE-CH2 4.22Å; M447-W524 HydrophobicContact CE-CZ2 3.68Å; M447-W524 HydrophobicContact CE-CZ3 4.43Å; M447-W524 HydrophobicContact SD-CH2 4.23Å; M447-W524 HydrophobicContact SD-CZ2 3.93Å; M447-P566 HydrophobicContact CG-CG 3.53Å; M447-P566 HydrophobicContact SD-CG 3.78Å; M447-N605 WeakPolarHBondContact CA-O 3.48Å; M447-N605 WeakPolarHBondContact CB-O 3.37Å
448	L	97.3	Very high	96.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-66.5	-42.2	176.4	-179.3	62.3	0	0	0	112.2	I444 L445 N446 E450 Y451 L452 F457 W479 V517 M521	I444-L448 WeakPolarHBondContact O-CB 3.41Å; I444-L448 PolarHBondContact O-N 3.11Å; L445-L448 PolarHBondContact O-N 3.05Å; N446-L448 VanDerWaalsContact C-N 3.29Å; N446-L448 PolarHBondContact O-N 3.01Å; L448-E450 VanDerWaalsContact C-N 3.33Å; L448-E450 PolarHBondContact O-N 3.43Å; L448-Y451 HydrophobicContact CD1-CD1 4.32Å; L448-Y451 PolarHBondContact O-N 2.95Å; L448-L452 HydrophobicContact CD1-CD1 3.76Å; L448-L452 HydrophobicContact CD1-CG 3.84Å; L448-L452 HydrophobicContact CD2-CD1 4.46Å; L448-L452 HydrophobicContact CG-CD1 3.94Å; L448-L452 HydrophobicContact CG-CG 4.31Å; L448-L452 PolarHBondContact O-N 3.02Å; L448-F457 HydrophobicContact CB-CE2 4.49Å; L448-F457 HydrophobicContact CD2-CD2 4.46Å; L448-F457 HydrophobicContact CD2-CE2 4.21Å; L448-F457 HydrophobicContact CG-CD2 4.3Å; L448-F457 HydrophobicContact CG-CE2 4.35Å; L448-W479 HydrophobicContact CD2-CE3 4.36Å; L448-W479 HydrophobicContact CD2-CH2 4.45Å; L448-W479 HydrophobicContact CD2-CZ3 3.61Å; L448-V517 HydrophobicContact CD1-CG1 4.08Å; L448-V517 HydrophobicContact CD2-CG1 4.27Å; L448-M521 HydrophobicContact CB-CE 4.25Å; L448-M521 HydrophobicContact CB-SD 4.12Å; L448-M521 HydrophobicContact CD1-CG 4.17Å; L448-M521 HydrophobicContact CD1-SD 3.91Å; L448-M521 HydrophobicContact CD2-CE 4.21Å; L448-M521 HydrophobicContact CD2-CG 4.02Å; L448-M521 HydrophobicContact CD2-SD 4.09Å; L448-M521 HydrophobicContact CG-SD 4.26Å
449	R	96.9	Very high	96	Very high	61 Å²	61	27.6 Å²	27.6	23%	0.23	15%	0.15	C	C	.	.	H	α-helix	trans	-59.3	-45.3	174.7	175.2	178.2	175.1	-101.5	12	111.4	F381 L445 N446 Y451 L452 S453 A454 F457	F381-R449 HydrophobicContact CZ-CB 4.45Å; L445-R449 WeakPolarHBondContact O-CB 3.23Å; L445-R449 PolarHBondContact O-N 3.38Å; N446-R449 WeakPolarHBondContact O-CB 3.45Å; N446-R449 PolarHBondContact O-N 2.91Å; R449-Y451 PolarHBondContact O-N 3.27Å; R449-L452 PolarHBondContact O-N 3.21Å; R449-S453 CarbonylContact O-C 3.49Å; R449-S453 VanDerWaalsContact O-C 3.22Å; R449-S453 VanDerWaalsContact O-CA 3.24Å; R449-S453 WeakPolarHBondContact O-CA 3.06Å; R449-S453 PolarHBondContact O-N 3.14Å; R449-A454 HydrophobicContact CG-CB 4.48Å; R449-F457 HydrophobicContact CB-CB 4.2Å; R449-F457 HydrophobicContact CB-CD1 4.15Å; R449-F457 HydrophobicContact CB-CD2 3.85Å; R449-F457 HydrophobicContact CB-CE2 4.23Å; R449-F457 HydrophobicContact CB-CG 3.8Å; R449-F457 HydrophobicContact CG-CB 4.12Å; R449-F457 HydrophobicContact CG-CD1 4.22Å; R449-F457 HydrophobicContact CG-CG 4.07Å
450	E	94.7	Very high	95.8	Very high	56 Å²	56	27.4 Å²	27.4	26%	0.262	15%	0.148	S	C	.	.	H	α-helix	trans	-66.1	-29.9	177.7	-69	-50.5	123.4	0	0	112.1	N446 M447 L448 R579 N605	N446-E450 WeakPolarHBondContact O-CG 3.39Å; N446-E450 PolarHBondContact O-N 3.22Å; M447-E450 PolarHBondContact O-N 2.96Å; L448-E450 VanDerWaalsContact C-N 3.33Å; L448-E450 PolarHBondContact O-N 3.43Å; E450-R579 VanDerWaalsContact O-CZ 3.29Å; E450-R579 PolarHBondContact O-NH1 3.34Å; E450-R579 PolarHBondContact O-NH2 3.37Å; E450-N605 HydrophobicContact CG-CB 4.18Å
451	Y	93.4	Very high	95.7	Very high	66 Å²	66	27.4 Å²	27.4	26%	0.259	15%	0.149	S	C	.	.	H	α-helix	trans	-75.2	-45.1	175.3	175.7	-111.9	0	0	0	113.2	M447 L448 R449 V515 M520 P566 L581	M447-Y451 WeakPolarHBondContact O-CB 3.44Å; M447-Y451 PolarHBondContact O-N 3.26Å; L448-Y451 HydrophobicContact CD1-CD1 4.32Å; L448-Y451 PolarHBondContact O-N 2.95Å; R449-Y451 PolarHBondContact O-N 3.27Å; Y451-V515 HydrophobicContact CE1-CG1 3.54Å; Y451-M520 HydrophobicContact CD1-CE 4.23Å; Y451-M520 HydrophobicContact CD1-SD 4.02Å; Y451-M520 HydrophobicContact CE1-SD 3.93Å; Y451-M520 HydrophobicContact CG-CE 4.41Å; Y451-P566 HydrophobicContact CD2-CB 3.67Å; Y451-P566 HydrophobicContact CE2-CB 4.4Å; Y451-P566 HydrophobicContact CG-CB 4.08Å; Y451-L581 HydrophobicContact CE2-CD1 4.43Å
452	L	91.2	Very high	95.6	Very high	31 Å²	31	28.5 Å²	28.5	16%	0.162	16%	0.155	C	C	.	.	H	α-helix	trans	-82.3	-16.5	-177.6	-66.9	-177.9	0	0	0	114.2	L448 R449 A456 V515 V517	L448-L452 HydrophobicContact CD1-CD1 3.76Å; L448-L452 HydrophobicContact CD1-CG 3.84Å; L448-L452 HydrophobicContact CD2-CD1 4.46Å; L448-L452 HydrophobicContact CG-CD1 3.94Å; L448-L452 HydrophobicContact CG-CG 4.31Å; L448-L452 PolarHBondContact O-N 3.02Å; R449-L452 PolarHBondContact O-N 3.21Å; L452-A456 HydrophobicContact CB-CB 4.35Å; L452-A456 WeakPolarHBondContact O-CB 3.17Å; L452-V515 HydrophobicContact CD2-CG1 3.79Å; L452-V517 HydrophobicContact CD1-CG2 4.25Å; L452-V517 HydrophobicContact CD2-CG2 3.98Å
453	S	92.9	Very high	95.5	Very high	60 Å²	60	31.8 Å²	31.8	42%	0.42	17%	0.17	S	C	.	.			trans	77.7	152.3	-158.6	80.8	0	0	0	0	114	R449 D455 F457	R449-S453 CarbonylContact O-C 3.49Å; R449-S453 VanDerWaalsContact O-C 3.22Å; R449-S453 VanDerWaalsContact O-CA 3.24Å; R449-S453 WeakPolarHBondContact O-CA 3.06Å; R449-S453 PolarHBondContact O-N 3.14Å; S453-D455 VanDerWaalsContact C-N 3.34Å; S453-D455 PolarHBondContact O-N 3.45Å; S453-F457 WeakPolarHBondContact O-CB 3.02Å; S453-F457 PolarHBondContact O-N 2.8Å
454	A	92.7	Very high	95.5	Very high	36 Å²	36	31.8 Å²	31.8	30%	0.298	17%	0.17	S	C	.	.	H	α-helix	trans	-59.8	-39.3	-178.1	0	0	0	0	0	113.3	R449 K458	R449-A454 HydrophobicContact CG-CB 4.48Å; A454-K458 WeakPolarHBondContact O-CB 3.39Å; A454-K458 PolarHBondContact O-N 3.31Å
455	D	93	Very high	95.5	Very high	117 Å²	117	31.8 Å²	31.8	63%	0.626	17%	0.17	S	C	*	.	H	α-helix	trans	-72.5	-42.5	-176.7	-68.5	-32.5	0	0	0	112.5	S453 K458 S459	S453-D455 VanDerWaalsContact C-N 3.34Å; S453-D455 PolarHBondContact O-N 3.45Å; D455-K458 PolarHBondContact O-N 3.23Å; D455-S459 WeakPolarHBondContact O-CB 3.42Å; D455-S459 PolarHBondContact O-N 3.1Å; D455-S459 PolarHBondContact O-OG 2.61Å
456	A	91.4	Very high	95.4	Very high	14 Å²	14	37.1 Å²	37.1	12%	0.116	20%	0.195	C	C	.	.	H	α-helix	trans	-65.8	-44.1	175.8	0	0	0	0	0	111	L452 S459 G460 I485	L452-A456 HydrophobicContact CB-CB 4.35Å; L452-A456 WeakPolarHBondContact O-CB 3.17Å; A456-S459 PolarHBondContact O-N 3.48Å; A456-G460 PolarHBondContact O-N 2.83Å; A456-I485 HydrophobicContact CB-CG2 4.34Å
457	F	95.2	Very high	95.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.7	-49.2	175.4	-177.1	-88.4	0	0	0	111.5	F378 F381 L445 L448 R449 S453 S459 G460 I461 M482	F378-F457 HydrophobicContact CE1-CZ 4.23Å; F381-F457 AromaticContact CE1-CE1 3.69Å; F381-F457 HydrophobicContact CE1-CE1 3.69Å; F381-F457 HydrophobicContact CE1-CZ 4.03Å; F381-F457 HydrophobicContact CZ-CE1 4.3Å; L445-F457 HydrophobicContact CB-CZ 4.43Å; L445-F457 HydrophobicContact CD2-CE2 4.33Å; L445-F457 HydrophobicContact CD2-CZ 4.24Å; L448-F457 HydrophobicContact CB-CE2 4.49Å; L448-F457 HydrophobicContact CD2-CD2 4.46Å; L448-F457 HydrophobicContact CD2-CE2 4.21Å; L448-F457 HydrophobicContact CG-CD2 4.3Å; L448-F457 HydrophobicContact CG-CE2 4.35Å; R449-F457 HydrophobicContact CB-CB 4.2Å; R449-F457 HydrophobicContact CB-CD1 4.15Å; R449-F457 HydrophobicContact CB-CD2 3.85Å; R449-F457 HydrophobicContact CB-CE2 4.23Å; R449-F457 HydrophobicContact CB-CG 3.8Å; R449-F457 HydrophobicContact CG-CB 4.12Å; R449-F457 HydrophobicContact CG-CD1 4.22Å; R449-F457 HydrophobicContact CG-CG 4.07Å; S453-F457 WeakPolarHBondContact O-CB 3.02Å; S453-F457 PolarHBondContact O-N 2.8Å; F457-S459 VanDerWaalsContact C-N 3.32Å; F457-S459 PolarHBondContact O-N 3.02Å; F457-G460 PolarHBondContact O-N 3.07Å; F457-I461 HydrophobicContact CD1-CG1 4.03Å; F457-I461 HydrophobicContact CE1-CD1 4.25Å; F457-I461 HydrophobicContact CE1-CG1 3.68Å; F457-I461 HydrophobicContact CZ-CD1 4.23Å; F457-I461 HydrophobicContact CZ-CG1 4.14Å; F457-I461 WeakPolarHBondContact O-CG1 3.42Å; F457-I461 PolarHBondContact O-N 3.13Å; F457-M482 HydrophobicContact CD2-CE 3.78Å; F457-M482 HydrophobicContact CD2-SD 4.27Å; F457-M482 HydrophobicContact CE2-CE 3.59Å; F457-M482 HydrophobicContact CG-CE 4.35Å; F457-M482 HydrophobicContact CZ-CE 4Å
458	K	95.8	Very high	95.4	Very high	62 Å²	62	42.2 Å²	42.2	27%	0.27	22%	0.217	S	C	.	.	H	α-helix	trans	-57.7	-45	177.4	-177.8	-176.7	-178.6	-173.9	0	111.5	Y296 A454 D455 G460 I461 V462	Y296-K458 HydrophobicContact CD2-CD 4.28Å; Y296-K458 HydrophobicContact CE1-CD 4.26Å; Y296-K458 HydrophobicContact CE1-CG 3.95Å; Y296-K458 HydrophobicContact CE2-CD 3.8Å; Y296-K458 HydrophobicContact CE2-CG 4.34Å; Y296-K458 WeakPolarHBondContact O-CE 3.35Å; Y296-K458 PolarHBondContact O-NZ 3.13Å; A454-K458 WeakPolarHBondContact O-CB 3.39Å; A454-K458 PolarHBondContact O-N 3.31Å; D455-K458 PolarHBondContact O-N 3.23Å; K458-G460 VanDerWaalsContact C-N 3.32Å; K458-G460 PolarHBondContact O-N 2.04Å; K458-I461 WeakPolarHBondContact O-CB 3.45Å; K458-I461 PolarHBondContact O-N 3.35Å; K458-V462 WeakPolarHBondContact O-CG2 3.4Å; K458-V462 PolarHBondContact O-N 2.9Å
459	S	94.1	Very high	95.5	Very high	53 Å²	53	43.5 Å²	43.5	37%	0.371	23%	0.226	S	C	.	.	H	α-helix	trans	-61.2	-41.3	178.9	-58.7	0	0	0	0	111.8	D455 A456 F457 V462 Q463	D455-S459 WeakPolarHBondContact O-CB 3.42Å; D455-S459 PolarHBondContact O-N 3.1Å; D455-S459 PolarHBondContact O-OG 2.61Å; A456-S459 PolarHBondContact O-N 3.48Å; F457-S459 VanDerWaalsContact C-N 3.32Å; F457-S459 PolarHBondContact O-N 3.02Å; S459-V462 PolarHBondContact O-N 3.14Å; S459-Q463 PolarHBondContact O-N 2.95Å
460	G	94.9	Very high	95.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.5	-40.1	176.8	0	0	0	0	0	112.5	A456 F457 K458 Q463 Y464 I485	A456-G460 PolarHBondContact O-N 2.83Å; F457-G460 PolarHBondContact O-N 3.07Å; K458-G460 VanDerWaalsContact C-N 3.32Å; K458-G460 PolarHBondContact O-N 2.04Å; G460-Q463 PolarHBondContact O-N 3.1Å; G460-Y464 WeakPolarHBondContact O-CB 3.28Å; G460-Y464 PolarHBondContact O-N 2.68Å; G460-I485 VanDerWaalsContact CA-CG1 3.46Å
461	I	96.6	Very high	95.7	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-63.2	-47	174.1	-70.2	-58.5	0	0	0	112.6	F297 F360 F378 F457 K458 Q463 Y464 L465 L478 M482	F297-I461 HydrophobicContact CD1-CG2 4.02Å; F297-I461 HydrophobicContact CE1-CG2 3.9Å; F360-I461 HydrophobicContact CE1-CD1 4.25Å; F360-I461 HydrophobicContact CE1-CG2 4.23Å; F360-I461 HydrophobicContact CE2-CG2 4.42Å; F360-I461 HydrophobicContact CZ-CD1 4.22Å; F360-I461 HydrophobicContact CZ-CG2 3.5Å; F360-I461 VanDerWaalsContact CZ-CG2 3.5Å; F378-I461 HydrophobicContact CD1-CD1 4.22Å; F378-I461 HydrophobicContact CE1-CD1 3.2Å; F378-I461 HydrophobicContact CE1-CG1 4.31Å; F378-I461 HydrophobicContact CZ-CD1 3.53Å; F457-I461 HydrophobicContact CD1-CG1 4.03Å; F457-I461 HydrophobicContact CE1-CD1 4.25Å; F457-I461 HydrophobicContact CE1-CG1 3.68Å; F457-I461 HydrophobicContact CZ-CD1 4.23Å; F457-I461 HydrophobicContact CZ-CG1 4.14Å; F457-I461 WeakPolarHBondContact O-CG1 3.42Å; F457-I461 PolarHBondContact O-N 3.13Å; K458-I461 WeakPolarHBondContact O-CB 3.45Å; K458-I461 PolarHBondContact O-N 3.35Å; I461-Q463 VanDerWaalsContact C-N 3.31Å; I461-Q463 PolarHBondContact O-N 3.06Å; I461-Y464 WeakPolarHBondContact O-CB 3.37Å; I461-Y464 PolarHBondContact O-N 3.06Å; I461-L465 HydrophobicContact CG2-CD1 3.96Å; I461-L465 HydrophobicContact CG2-CG 4.42Å; I461-L465 WeakPolarHBondContact O-CG 3.4Å; I461-L465 PolarHBondContact O-N 3.22Å; I461-L478 HydrophobicContact CD1-CD1 4.26Å; I461-M482 HydrophobicContact CD1-CE 3.26Å; I461-M482 HydrophobicContact CG1-CE 3.59Å
462	V	97.1	Very high	96	Very high	22 Å²	22	45.9 Å²	45.9	13%	0.133	24%	0.238	C	C	.	.	H	α-helix	trans	-61	-44.5	179.2	171.8	0	0	0	0	110.2	F297 K458 S459 Y464 L465 Q466	F297-V462 WeakPolarHBondContact O-CG1 3.12Å; F297-V462 WeakPolarHBondContact O-CG2 3.47Å; K458-V462 WeakPolarHBondContact O-CG2 3.4Å; K458-V462 PolarHBondContact O-N 2.9Å; S459-V462 PolarHBondContact O-N 3.14Å; V462-Y464 PolarHBondContact O-N 3.03Å; V462-L465 PolarHBondContact O-N 3.46Å; V462-Q466 HydrophobicContact CG1-CG 4.34Å; V462-Q466 WeakPolarHBondContact O-CB 3.31Å; V462-Q466 VanDerWaalsContact O-CG 3.25Å; V462-Q466 WeakPolarHBondContact O-CG 3.25Å; V462-Q466 PolarHBondContact O-N 3.15Å
463	Q	96.2	Very high	96.3	Very high	69 Å²	69	44.4 Å²	44.4	32%	0.322	23%	0.23	S	C	.	.	H	α-helix	trans	-63.2	-42.3	176.9	-177.4	175.6	-20.5	0	0	112.5	S459 G460 I461 Q466 K467 S484	S459-Q463 PolarHBondContact O-N 2.95Å; G460-Q463 PolarHBondContact O-N 3.1Å; I461-Q463 VanDerWaalsContact C-N 3.31Å; I461-Q463 PolarHBondContact O-N 3.06Å; Q463-Q466 PolarHBondContact O-N 3.46Å; Q463-K467 WeakPolarHBondContact O-CB 3.33Å; Q463-K467 PolarHBondContact O-N 3.5Å; Q463-S484 VanDerWaalsContact CD-OG 3.27Å; Q463-S484 PolarHBondContact NE2-OG 3.07Å; Q463-S484 PolarHBondContact OE1-OG 3.14Å
464	Y	98.2	Very high	96.6	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.008	23%	0.229	C	C	.	.	H	α-helix	trans	-57.3	-52.2	174.8	168.5	-101.7	0	0	0	111.3	F360 V364 G460 I461 V462 Q466 K467 H468 T473 L478	F360-Y464 HydrophobicContact CD1-CE1 4.43Å; F360-Y464 HydrophobicContact CE1-CD1 4.4Å; F360-Y464 HydrophobicContact CE1-CE1 4.3Å; V364-Y464 HydrophobicContact CB-CE1 4.42Å; V364-Y464 HydrophobicContact CG1-CE1 3.92Å; G460-Y464 WeakPolarHBondContact O-CB 3.28Å; G460-Y464 PolarHBondContact O-N 2.68Å; I461-Y464 WeakPolarHBondContact O-CB 3.37Å; I461-Y464 PolarHBondContact O-N 3.06Å; V462-Y464 PolarHBondContact O-N 3.03Å; Y464-Q466 PolarHBondContact O-N 3.15Å; Y464-K467 PolarHBondContact O-N 3.31Å; Y464-H468 WeakPolarHBondContact O-CB 3.37Å; Y464-H468 PolarHBondContact O-CD2 3.19Å; Y464-H468 PolarHBondContact O-N 3.36Å; Y464-H468 VanDerWaalsContact O-N 3.09Å; Y464-T473 HydrophobicContact CE2-CG2 3.57Å; Y464-T473 WeakPolarHBondContact OH-CB 3.21Å; Y464-T473 PolarHBondContact OH-OG1 3.08Å; Y464-L478 HydrophobicContact CD1-CD1 4.35Å; Y464-L478 HydrophobicContact CD2-CB 4.34Å; Y464-L478 HydrophobicContact CD2-CD1 4.09Å; Y464-L478 HydrophobicContact CE2-CB 4.07Å; Y464-L478 HydrophobicContact CE2-CD1 4.27Å; Y464-L478 HydrophobicContact CG-CD1 4.11Å
465	L	98.4	Very high	96.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.1	-44.4	-179.6	-69.9	173.7	0	0	0	111.8	F297 I299 W359 F360 V364 I461 V462 S469	F297-L465 HydrophobicContact CB-CD1 4.25Å; F297-L465 HydrophobicContact CD1-CD1 3.75Å; F297-L465 HydrophobicContact CD2-CD1 4.42Å; F297-L465 HydrophobicContact CE1-CD1 4.25Å; F297-L465 HydrophobicContact CG-CD1 3.88Å; I299-L465 HydrophobicContact CD1-CB 3.48Å; I299-L465 VanDerWaalsContact CD1-CB 3.48Å; I299-L465 HydrophobicContact CD1-CD1 4.31Å; W359-L465 HydrophobicContact CB-CD1 4.08Å; W359-L465 HydrophobicContact CB-CD2 4.14Å; W359-L465 HydrophobicContact CG-CD1 4.43Å; F360-L465 HydrophobicContact CD1-CD2 4.09Å; F360-L465 HydrophobicContact CE1-CD1 4.43Å; F360-L465 HydrophobicContact CE1-CD2 3.98Å; F360-L465 HydrophobicContact CE1-CG 4.32Å; F360-L465 HydrophobicContact CE2-CD1 4.31Å; F360-L465 HydrophobicContact CZ-CD1 4.04Å; F360-L465 HydrophobicContact CZ-CD2 4.38Å; F360-L465 HydrophobicContact CZ-CG 4.42Å; V364-L465 HydrophobicContact CB-CD2 4.23Å; V364-L465 HydrophobicContact CG2-CD2 3.81Å; I461-L465 HydrophobicContact CG2-CD1 3.96Å; I461-L465 HydrophobicContact CG2-CG 4.42Å; I461-L465 WeakPolarHBondContact O-CG 3.4Å; I461-L465 PolarHBondContact O-N 3.22Å; V462-L465 PolarHBondContact O-N 3.46Å; L465-S469 WeakPolarHBondContact O-CA 3.39Å; L465-S469 WeakPolarHBondContact O-CB 3.31Å; L465-S469 PolarHBondContact O-N 3.17Å; L465-S469 PolarHBondContact O-OG 3.15Å
466	Q	97.4	Very high	96.7	Very high	112 Å²	112	44.5 Å²	44.5	52%	0.523	21%	0.213	S	C	.	.	H	α-helix	trans	-64.2	-46.4	178.7	-72.6	174.2	-6.8	0	0	112.4	I299 V462 Q463 Y464 H468	I299-Q466 HydrophobicContact CD1-CG 3.83Å; I299-Q466 HydrophobicContact CG1-CG 4.07Å; V462-Q466 HydrophobicContact CG1-CG 4.34Å; V462-Q466 WeakPolarHBondContact O-CB 3.31Å; V462-Q466 VanDerWaalsContact O-CG 3.25Å; V462-Q466 WeakPolarHBondContact O-CG 3.25Å; V462-Q466 PolarHBondContact O-N 3.15Å; Q463-Q466 PolarHBondContact O-N 3.46Å; Y464-Q466 PolarHBondContact O-N 3.15Å; Q466-H468 VanDerWaalsContact C-N 3.33Å; Q466-H468 PolarHBondContact O-N 3.07Å
467	K	98.1	Very high	97	Very high	107 Å²	107	45.8 Å²	45.8	47%	0.465	22%	0.218	S	C	.	.	H	α-helix	trans	-65.2	-37.1	-177.4	-179.8	-178.7	169.2	-156.7	0	112.3	Q463 Y464	Q463-K467 WeakPolarHBondContact O-CB 3.33Å; Q463-K467 PolarHBondContact O-N 3.5Å; Y464-K467 PolarHBondContact O-N 3.31Å
468	H	98.5	Very high	97.1	Very high	17 Å²	17	45.8 Å²	45.8	8%	0.079	22%	0.218	C	C	.	.	H	α-helix	trans	-106.7	9.6	-172.6	-62.1	-87.6	0	0	0	114.1	V364 Y464 Q466 Y470 K471 T473 D477	V364-H468 HydrophobicContact CG1-CB 3.81Å; V364-H468 HydrophobicContact CG2-CB 4.14Å; Y464-H468 WeakPolarHBondContact O-CB 3.37Å; Y464-H468 PolarHBondContact O-CD2 3.19Å; Y464-H468 PolarHBondContact O-N 3.36Å; Y464-H468 VanDerWaalsContact O-N 3.09Å; Q466-H468 VanDerWaalsContact C-N 3.33Å; Q466-H468 PolarHBondContact O-N 3.07Å; H468-Y470 PolarHBondContact O-N 3.13Å; H468-K471 WeakPolarHBondContact O-CB 3.26Å; H468-K471 PolarHBondContact O-N 3.37Å; H468-T473 HydrophobicContact CB-CG2 3.5Å; H468-T473 VanDerWaalsContact CB-CG2 3.5Å; H468-T473 WeakPolarHBondContact ND1-CG2 3.25Å; H468-D477 IonicContact CE1-OD1 3.32Å; H468-D477 PolarHBondContact CE1-OD1 3.41Å
469	S	98.6	Very high	97	Very high	28 Å²	28	42.8 Å²	42.8	20%	0.196	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	130.8	176.6	-76.3	0	0	0	0	112.7	L465 K471	L465-S469 WeakPolarHBondContact O-CA 3.39Å; L465-S469 WeakPolarHBondContact O-CB 3.31Å; L465-S469 PolarHBondContact O-N 3.17Å; L465-S469 PolarHBondContact O-OG 3.15Å; S469-K471 PolarHBondContact O-N 3.07Å
470	Y	98.5	Very high	97	Very high	82 Å²	82	43.3 Å²	43.3	32%	0.322	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	21.6	-176.7	-50.4	-74.3	0	0	0	115.1	V240 P302 W322 L363 H468	V240-Y470 HydrophobicContact CB-CD1 4.22Å; V240-Y470 HydrophobicContact CB-CE1 3.75Å; V240-Y470 HydrophobicContact CG1-CE1 4.09Å; V240-Y470 HydrophobicContact CG2-CD1 4.34Å; V240-Y470 HydrophobicContact CG2-CE1 3.88Å; P302-Y470 WeakPolarHBondContact CB-OH 3.01Å; W322-Y470 HydrophobicContact CH2-CD1 4.03Å; W322-Y470 AromaticContact CH2-CE1 3.8Å; W322-Y470 HydrophobicContact CH2-CE1 3.8Å; W322-Y470 HydrophobicContact CZ2-CE1 4.44Å; L363-Y470 HydrophobicContact CD1-CD1 3.99Å; L363-Y470 HydrophobicContact CD1-CD2 4.17Å; L363-Y470 HydrophobicContact CD1-CE1 3.75Å; L363-Y470 HydrophobicContact CD1-CE2 3.95Å; L363-Y470 HydrophobicContact CD1-CG 4.19Å; L363-Y470 WeakPolarHBondContact O-CA 3.46Å; L363-Y470 PolarHBondContact O-N 3.41Å; H468-Y470 PolarHBondContact O-N 3.13Å
471	K	98.4	Very high	96.9	Very high	121 Å²	121	43.4 Å²	43.4	53%	0.526	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	-169.2	178.1	-57.8	174.9	-172.5	168	0	109.9	K200 T365 H468 S469	K200-K471 WeakPolarHBondContact CE-O 3.38Å; K200-K471 PolarHBondContact NZ-O 3.07Å; T365-K471 PolarHBondContact N-O 2.64Å; H468-K471 WeakPolarHBondContact O-CB 3.26Å; H468-K471 PolarHBondContact O-N 3.37Å; S469-K471 PolarHBondContact O-N 3.07Å
472	N	98.6	Very high	96.6	Very high	29 Å²	29	43.7 Å²	43.7	16%	0.155	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	162.2	177.2	-57.6	74.4	0	0	0	111.8	P197 T365 M366 E367	P197-N472 PolarHBondContact O-ND2 3.47Å; T365-N472 CarbonylContact O-C 3.28Å; T365-N472 WeakPolarHBondContact O-CA 3.28Å; T365-N472 WeakPolarHBondContact O-CB 3.33Å; M366-N472 PolarHBondContact O-ND2 3.29Å; E367-N472 HydrophobicContact CB-CB 4.11Å; E367-N472 HydrophobicContact CG-CB 4.48Å
473	T	98.4	Very high	96.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	158.5	-176.8	47.5	0	0	0	0	112.9	V364 T365 M366 E367 Y464 H468 D477	V364-T473 HydrophobicContact CG1-CG2 3.59Å; T365-T473 PolarHBondContact O-N 2.99Å; M366-T473 CarbonylContact C-O 3.56Å; M366-T473 WeakPolarHBondContact CA-O 3.06Å; E367-T473 PolarHBondContact N-O 3.35Å; Y464-T473 HydrophobicContact CE2-CG2 3.57Å; Y464-T473 WeakPolarHBondContact OH-CB 3.21Å; Y464-T473 PolarHBondContact OH-OG1 3.08Å; H468-T473 HydrophobicContact CB-CG2 3.5Å; H468-T473 VanDerWaalsContact CB-CG2 3.5Å; H468-T473 WeakPolarHBondContact ND1-CG2 3.25Å; T473-D477 WeakPolarHBondContact CA-OD2 3.14Å; T473-D477 HydrophobicContact CG2-CB 4.03Å
474	K	97.8	Very high	95.6	Very high	90 Å²	90	44.1 Å²	44.1	39%	0.391	22%	0.22	S	C	.	.			trans	-112.6	169.9	169.1	-63.3	176	-175.1	-177.9	0	110.5	E367 D371 E476 D477	E367-K474 HydrophobicContact CB-CG 4.28Å; E367-K474 WeakPolarHBondContact OE1-CE 3.5Å; E367-K474 IonicContact OE1-NZ 2.95Å; E367-K474 PolarHBondContact OE1-NZ 3.36Å; E367-K474 WeakPolarHBondContact OE2-CE 3.31Å; E367-K474 IonicContact OE2-NZ 2.72Å; E367-K474 PolarHBondContact OE2-NZ 3.26Å; D371-K474 WeakPolarHBondContact OD2-CA 3.42Å; K474-E476 PolarHBondContact O-N 3.23Å; K474-E476 VanDerWaalsContact O-N 3.11Å; K474-D477 PolarHBondContact N-OD2 2.8Å; K474-D477 PolarHBondContact O-N 2.8Å
475	N	93.9	Very high	94.7	Very high	9 Å²	9	45.7 Å²	45.7	5%	0.048	23%	0.228	C	C	.	.	H	α-helix	trans	-45.5	-43.2	172.2	-162.4	41.2	0	0	0	112.8	D371 W373 D477 L478 W479 T525	D371-N475 PolarHBondContact OD2-N 2.85Å; W373-N475 WeakPolarHBondContact CZ2-OD1 3.48Å; N475-D477 PolarHBondContact O-N 3.33Å; N475-L478 PolarHBondContact O-N 2.59Å; N475-W479 PolarHBondContact ND2-NE1 2.63Å; N475-W479 PolarHBondContact O-N 2.8Å; N475-W479 PolarHBondContact O-NE1 3.38Å; N475-W479 PolarHBondContact OD1-NE1 3.1Å; N475-T525 PolarHBondContact ND2-OG1 3.09Å
476	E	95.3	Very high	92.6	Very high	116 Å²	116	47.4 Å²	47.4	54%	0.542	24%	0.24	S	C	.	.	H	α-helix	trans	-66.7	-35	-177.9	-63.2	-177.8	177.9	0	0	114.2	K474 L478 W479 D480	K474-E476 PolarHBondContact O-N 3.23Å; K474-E476 VanDerWaalsContact O-N 3.11Å; E476-L478 VanDerWaalsContact C-N 3.28Å; E476-L478 PolarHBondContact O-N 3.46Å; E476-W479 PolarHBondContact O-N 3.46Å; E476-D480 PolarHBondContact O-N 3.43Å
477	D	97.5	Very high	90.4	Very high	41 Å²	41	46.3 Å²	46.3	22%	0.219	24%	0.242	C	C	.	.	H	α-helix	trans	-64.4	-35.2	-178.2	-68.9	-60.4	0	0	0	112	H468 T473 K474 N475 S481	H468-D477 IonicContact CE1-OD1 3.32Å; H468-D477 PolarHBondContact CE1-OD1 3.41Å; T473-D477 WeakPolarHBondContact CA-OD2 3.14Å; T473-D477 HydrophobicContact CG2-CB 4.03Å; K474-D477 PolarHBondContact N-OD2 2.8Å; K474-D477 PolarHBondContact O-N 2.8Å; N475-D477 PolarHBondContact O-N 3.33Å; D477-S481 PolarHBondContact O-N 2.99Å; D477-S481 VanDerWaalsContact O-N 3.15Å; D477-S481 PolarHBondContact O-OG 2.94Å
478	L	96.7	Very high	87.6	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.8	-49.2	174.5	176.6	66.9	0	0	0	110.7	W373 L374 F378 I461 Y464 N475 E476 D480 S481 M482	W373-L478 HydrophobicContact CH2-CD2 3.61Å; W373-L478 HydrophobicContact CZ2-CD2 4.1Å; L374-L478 HydrophobicContact CD2-CB 4.26Å; L374-L478 HydrophobicContact CD2-CD2 3.81Å; F378-L478 HydrophobicContact CE2-CD1 4.03Å; F378-L478 HydrophobicContact CE2-CD2 3.58Å; F378-L478 HydrophobicContact CE2-CG 4.46Å; F378-L478 HydrophobicContact CZ-CD1 3.75Å; F378-L478 HydrophobicContact CZ-CD2 3.83Å; F378-L478 HydrophobicContact CZ-CG 4.44Å; I461-L478 HydrophobicContact CD1-CD1 4.26Å; Y464-L478 HydrophobicContact CD1-CD1 4.35Å; Y464-L478 HydrophobicContact CD2-CB 4.34Å; Y464-L478 HydrophobicContact CD2-CD1 4.09Å; Y464-L478 HydrophobicContact CE2-CB 4.07Å; Y464-L478 HydrophobicContact CE2-CD1 4.27Å; Y464-L478 HydrophobicContact CG-CD1 4.11Å; N475-L478 PolarHBondContact O-N 2.59Å; E476-L478 VanDerWaalsContact C-N 3.28Å; E476-L478 PolarHBondContact O-N 3.46Å; L478-D480 VanDerWaalsContact C-N 3.31Å; L478-D480 PolarHBondContact O-N 3.4Å; L478-S481 WeakPolarHBondContact O-CB 3.1Å; L478-S481 PolarHBondContact O-N 3.43Å; L478-S481 VanDerWaalsContact O-N 3.15Å; L478-M482 HydrophobicContact CD1-CE 4.12Å; L478-M482 HydrophobicContact CD1-CG 4.47Å; L478-M482 WeakPolarHBondContact O-CG 3.32Å; L478-M482 PolarHBondContact O-N 2.97Å
479	W	94.3	Very high	84.7	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.8	-36.4	-179.3	-53.8	138.3	0	0	0	112.4	W373 L448 N475 E476 S481 M482 A483 V517 K518 M521 T525	W373-W479 AromaticContact CH2-CH2 3.56Å; W373-W479 HydrophobicContact CH2-CH2 3.56Å; W373-W479 AromaticContact CH2-CZ2 3.59Å; W373-W479 HydrophobicContact CH2-CZ2 3.59Å; W373-W479 HydrophobicContact CZ2-CH2 4.22Å; W373-W479 AromaticContact CZ2-CZ2 3.77Å; W373-W479 HydrophobicContact CZ2-CZ2 3.77Å; L448-W479 HydrophobicContact CD2-CE3 4.36Å; L448-W479 HydrophobicContact CD2-CH2 4.45Å; L448-W479 HydrophobicContact CD2-CZ3 3.61Å; N475-W479 PolarHBondContact ND2-NE1 2.63Å; N475-W479 PolarHBondContact O-N 2.8Å; N475-W479 PolarHBondContact O-NE1 3.38Å; N475-W479 PolarHBondContact OD1-NE1 3.1Å; E476-W479 PolarHBondContact O-N 3.46Å; W479-S481 VanDerWaalsContact C-N 3.32Å; W479-S481 PolarHBondContact O-N 2.75Å; W479-M482 PolarHBondContact O-N 3.05Å; W479-A483 VanDerWaalsContact O-CB 3.23Å; W479-A483 WeakPolarHBondContact O-CB 3.2Å; W479-A483 PolarHBondContact O-N 3.41Å; W479-V517 HydrophobicContact CE3-CG1 4.05Å; W479-K518 HydrophobicContact CB-CB 4.07Å; W479-K518 HydrophobicContact CB-CG 4.24Å; W479-M521 HydrophobicContact CD2-CB 3.64Å; W479-M521 HydrophobicContact CD2-CG 4.2Å; W479-M521 VanDerWaalsContact CE2-CB 3.45Å; W479-M521 HydrophobicContact CE3-CB 3.8Å; W479-M521 HydrophobicContact CE3-CG 3.82Å; W479-M521 HydrophobicContact CG-CB 4.4Å; W479-M521 HydrophobicContact CH2-CB 3.65Å; W479-M521 HydrophobicContact CH2-CE 3.57Å; W479-M521 HydrophobicContact CH2-CG 3.81Å; W479-M521 HydrophobicContact CZ2-CB 3.48Å; W479-M521 VanDerWaalsContact CZ2-CB 3.48Å; W479-M521 HydrophobicContact CZ2-CE 4.22Å; W479-M521 HydrophobicContact CZ2-CG 4.18Å; W479-M521 HydrophobicContact CZ3-CB 3.81Å; W479-M521 HydrophobicContact CZ3-CE 4.09Å; W479-M521 HydrophobicContact CZ3-CG 3.63Å; W479-T525 HydrophobicContact CZ2-CG2 3.87Å
480	D	93.4	Very high	81.8	Confident	64 Å²	64	56.1 Å²	56.1	34%	0.342	32%	0.322	S	S	.	.	H	α-helix	trans	-62.5	-40.3	173.2	-75.9	-16.3	0	0	0	112.1	E476 L478 S484 K518	E476-D480 PolarHBondContact O-N 3.43Å; L478-D480 VanDerWaalsContact C-N 3.31Å; L478-D480 PolarHBondContact O-N 3.4Å; D480-S484 WeakPolarHBondContact O-CB 3.36Å; D480-S484 PolarHBondContact O-N 3.44Å; D480-S484 VanDerWaalsContact O-N 3.16Å; D480-K518 WeakPolarHBondContact OD1-CE 3.06Å; D480-K518 IonicContact OD1-NZ 2.67Å; D480-K518 PolarHBondContact OD1-NZ 3.42Å; D480-K518 IonicContact OD2-NZ 3.6Å
481	S	93.8	Very high	79.1	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.007	33%	0.326	C	S	.	.	H	α-helix	trans	-67.1	-44.2	177.6	-57.6	0	0	0	0	111.2	D477 L478 W479 S484	D477-S481 PolarHBondContact O-N 2.99Å; D477-S481 VanDerWaalsContact O-N 3.15Å; D477-S481 PolarHBondContact O-OG 2.94Å; L478-S481 WeakPolarHBondContact O-CB 3.1Å; L478-S481 PolarHBondContact O-N 3.43Å; L478-S481 VanDerWaalsContact O-N 3.15Å; W479-S481 VanDerWaalsContact C-N 3.32Å; W479-S481 PolarHBondContact O-N 2.75Å; S481-S484 PolarHBondContact O-N 3.24Å; S481-S484 PolarHBondContact O-OG 2.92Å
482	M	90.6	Very high	76.1	Confident	7 Å²	7	59.2 Å²	59.2	3%	0.034	34%	0.343	C	S	.	.	H	α-helix	trans	-64.6	-42.7	176.8	-69.4	-66.6	-172.8	0	0	112.9	F457 I461 L478 W479 S484 I485 V517	F457-M482 HydrophobicContact CD2-CE 3.78Å; F457-M482 HydrophobicContact CD2-SD 4.27Å; F457-M482 HydrophobicContact CE2-CE 3.59Å; F457-M482 HydrophobicContact CG-CE 4.35Å; F457-M482 HydrophobicContact CZ-CE 4Å; I461-M482 HydrophobicContact CD1-CE 3.26Å; I461-M482 HydrophobicContact CG1-CE 3.59Å; L478-M482 HydrophobicContact CD1-CE 4.12Å; L478-M482 HydrophobicContact CD1-CG 4.47Å; L478-M482 WeakPolarHBondContact O-CG 3.32Å; L478-M482 PolarHBondContact O-N 2.97Å; W479-M482 PolarHBondContact O-N 3.05Å; M482-S484 PolarHBondContact O-N 3.03Å; M482-I485 PolarHBondContact O-N 2.93Å; M482-V517 HydrophobicContact CB-CG1 4Å
483	A	87.5	Confident	72.9	Confident	44 Å²	44	61 Å²	61	36%	0.364	37%	0.368	S	S	.	.	H	α-helix	trans	-69.1	-22.1	179.8	0	0	0	0	0	113	W479 I485	W479-A483 VanDerWaalsContact O-CB 3.23Å; W479-A483 WeakPolarHBondContact O-CB 3.2Å; W479-A483 PolarHBondContact O-N 3.41Å; A483-I485 VanDerWaalsContact C-N 3.27Å; A483-I485 PolarHBondContact O-N 3.28Å
484	S	83.4	Confident	69.7	Low	57 Å²	57	68.4 Å²	68.4	40%	0.399	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-10.7	179.7	73.1	0	0	0	0	114.5	Q463 D480 S481 M482 C486	Q463-S484 VanDerWaalsContact CD-OG 3.27Å; Q463-S484 PolarHBondContact NE2-OG 3.07Å; Q463-S484 PolarHBondContact OE1-OG 3.14Å; D480-S484 WeakPolarHBondContact O-CB 3.36Å; D480-S484 PolarHBondContact O-N 3.44Å; D480-S484 VanDerWaalsContact O-N 3.16Å; S481-S484 PolarHBondContact O-N 3.24Å; S481-S484 PolarHBondContact O-OG 2.92Å; M482-S484 PolarHBondContact O-N 3.03Å; S484-C486 PolarHBondContact O-N 3Å
485	I	80.2	Confident	66.8	Low	34 Å²	34	71.1 Å²	71.1	17%	0.174	42%	0.423	C	S	.	.			trans	-85	112.4	176.9	-54.9	-59.6	0	0	0	109.6	A456 G460 M482 A483	A456-I485 HydrophobicContact CB-CG2 4.34Å; G460-I485 VanDerWaalsContact CA-CG1 3.46Å; M482-I485 PolarHBondContact O-N 2.93Å; A483-I485 VanDerWaalsContact C-N 3.27Å; A483-I485 PolarHBondContact O-N 3.28Å
486	C	53.5	Low	64.4	Low	36 Å²	36	75 Å²	75	24%	0.243	47%	0.466	C	S	.	.			trans	-82.5	132.7	162.8	-61.5	0	0	0	0	108.8	S484 T488 C498	S484-C486 PolarHBondContact O-N 3Å; C486-T488 PolarHBondContact O-N 2.99Å; C486-C498 WeakPolarHBondContact CA-SG 3.36Å; C486-C498 HydrophobicContact CB-CB 4.14Å; C486-C498 WeakPolarHBondContact CB-SG 3.47Å; C486-C498 WeakPolarHBondContact SG-CB 3.47Å; C486-C498 CovalentContact SG-SG 2.06Å; C486-C498 PolarHBondContact SG-SG 2.83Å
487	P	51.4	Low	61.4	Low	90 Å²	90	76.9 Å²	76.9	58%	0.584	47%	0.472	S	S	*	.			trans	-52.6	129.1	175.8	-17.6	24	0	0	0	109.9	D489	P487-D489 PolarHBondContact O-N 3Å
488	T	40.5	Very low	58.7	Low	127 Å²	127	77.4 Å²	77.4	78%	0.779	48%	0.479	S	S	*	.	S	Bend	trans	-72.1	75.1	-179.4	45.4	0	0	0	0	110.7	C486	C486-T488 PolarHBondContact O-N 2.99Å
489	D	36.9	Very low	55.7	Low	147 Å²	147	81.4 Å²	81.4	79%	0.786	51%	0.507	S	S	*	.	S	Bend	trans	-134.3	71.7	154.8	-88.8	-28.7	0	0	0	107.7	P487	P487-D489 PolarHBondContact O-N 3Å
490	G	38.2	Very low	53	Low	83 Å²	83	89 Å²	89	86%	0.856	54%	0.536	S	S	*	.	S	Bend	trans	79.1	33.8	156.1	0	0	0	0	0	119.3
491	V	40.9	Very low	49.8	Very low	66 Å²	66	91.2 Å²	91.2	40%	0.4	56%	0.556	S	S	.	*			trans	-120.3	127.8	177.8	-173.3	0	0	0	0	112.2
492	K	34.5	Very low	47	Very low	203 Å²	203	99.6 Å²	99.6	88%	0.883	60%	0.595	S	S	*	*			trans	-81.2	129.7	166.5	-79.2	-177.5	175.3	-179.8	0	109.2
493	G	31.8	Very low	44.2	Very low	66 Å²	66	108.4 Å²	108.4	68%	0.68	64%	0.635	S	S	*	*			trans	-75.9	140.5	177.2	0	0	0	0	0	113.4
494	M	31.8	Very low	41.4	Very low	155 Å²	155	111.2 Å²	111.2	76%	0.764	65%	0.653	S	S	*	*			trans	-140.8	127.6	154.1	-157.5	91.7	144	0	0	106.9
495	D	37.7	Very low	39.1	Very low	147 Å²	147	113.7 Å²	113.7	79%	0.786	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	57.2	58.1	166.1	-54.7	-21.5	0	0	0	118.3	F497	D495-F497 PolarHBondContact O-N 3.11Å
496	G	41.7	Very low	37.1	Very low	91 Å²	91	117 Å²	117	94%	0.938	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.8	12.1	160	0	0	0	0	0	116.1
497	F	32.8	Very low	36	Very low	155 Å²	155	121.1 Å²	121.1	68%	0.68	73%	0.725	S	S	*	*			trans	-127.8	110.4	179.5	-140.4	-93.9	0	0	0	109	D495 S499	D495-F497 PolarHBondContact O-N 3.11Å; F497-S499 VanDerWaalsContact C-N 3.31Å; F497-S499 PolarHBondContact O-N 3.31Å
498	C	41	Very low	35.2	Very low	52 Å²	52	119.7 Å²	119.7	35%	0.351	72%	0.717	S	S	.	*			trans	-74.6	87.7	169.9	-59.9	0	0	0	0	108.4	C486	C486-C498 WeakPolarHBondContact CA-SG 3.36Å; C486-C498 HydrophobicContact CB-CB 4.14Å; C486-C498 WeakPolarHBondContact CB-SG 3.47Å; C486-C498 WeakPolarHBondContact SG-CB 3.47Å; C486-C498 CovalentContact SG-SG 2.06Å; C486-C498 PolarHBondContact SG-SG 2.83Å
499	S	33.3	Very low	34.9	Very low	84 Å²	84	121.6 Å²	121.6	59%	0.587	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-101	126.9	171.4	-173.4	0	0	0	0	110.3	F497	F497-S499 VanDerWaalsContact C-N 3.31Å; F497-S499 PolarHBondContact O-N 3.31Å
500	R	37.1	Very low	35	Very low	161 Å²	161	121.6 Å²	121.6	61%	0.608	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-86.2	125.9	172.2	-160.9	173.9	146.6	154.4	-3.7	108.7	Q502	R500-Q502 PolarHBondContact O-N 3.38Å
501	S	26.9	Very low	35	Very low	110 Å²	110	124.1 Å²	124.1	77%	0.769	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-58.6	126.8	175	57.3	0	0	0	0	110.3	H503	S501-H503 PolarHBondContact O-N 3.34Å; S501-H503 VanDerWaalsContact O-N 3.13Å
502	Q	35.2	Very low	34.7	Very low	177 Å²	177	128.5 Å²	128.5	83%	0.827	71%	0.711	S	S	*	*	S	Bend	trans	-52.8	115.4	174.9	-72	178.6	-18.4	0	0	110.1	R500	R500-Q502 PolarHBondContact O-N 3.38Å
503	H	31.9	Very low	35	Very low	191 Å²	191	125.5 Å²	125.5	88%	0.884	70%	0.7	S	S	*	*			trans	171.6	84.2	140.5	-83.3	-44.9	0	0	0	109.6	S501	S501-H503 PolarHBondContact O-N 3.34Å; S501-H503 VanDerWaalsContact O-N 3.13Å
504	S	28.7	Very low	35.9	Very low	104 Å²	104	124.6 Å²	124.6	73%	0.727	69%	0.691	S	S	*	*			trans	-159.6	121.4	150.3	-175.8	0	0	0	0	108.6
505	S	35.5	Very low	37.6	Very low	109 Å²	109	120.4 Å²	120.4	76%	0.762	67%	0.674	S	S	*	*			trans	-70.2	148.5	177.4	45.5	0	0	0	0	112.5
506	S	37.8	Very low	39.8	Very low	103 Å²	103	117.5 Å²	117.5	72%	0.72	66%	0.659	S	S	*	*	S	Bend	trans	80.5	117.1	162.7	72.5	0	0	0	0	120.9
507	S	31	Very low	42.2	Very low	122 Å²	122	113.3 Å²	113.3	85%	0.853	62%	0.615	S	S	*	*	S	Bend	trans	78.1	30.6	140.8	61.3	0	0	0	0	122.3
508	S	33.7	Very low	45	Very low	60 Å²	60	108.9 Å²	108.9	42%	0.42	60%	0.595	S	S	.	*			trans	-137.7	92.9	163.8	59.4	0	0	0	0	111.7	W510	S508-W510 PolarHBondContact O-N 3.09Å; S508-W510 VanDerWaalsContact O-N 3.16Å
509	H	33.9	Very low	47.6	Very low	167 Å²	167	109.2 Å²	109.2	77%	0.773	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-62.2	-13.3	171.2	-89.6	-74.8	0	0	0	113.2	H511	H509-H511 PolarHBondContact O-N 3.02Å
510	W	39	Very low	50.5	Low	147 Å²	147	105.3 Å²	105.3	56%	0.557	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-73.7	-15.4	-174.9	-58.8	109.5	0	0	0	116.1	S508 R579 F580	S508-W510 PolarHBondContact O-N 3.09Å; S508-W510 VanDerWaalsContact O-N 3.16Å; W510-R579 WeakPolarHBondContact CH2-O 3.31Å; W510-R579 WeakPolarHBondContact CZ2-O 3.12Å; W510-F580 VanDerWaalsContact CH2-CA 3.46Å; W510-F580 HydrophobicContact CH2-CB 4.02Å; W510-F580 AromaticContact CH2-CD2 3.68Å; W510-F580 HydrophobicContact CH2-CD2 3.68Å; W510-F580 HydrophobicContact CH2-CE2 4.43Å; W510-F580 HydrophobicContact CH2-CG 4.08Å; W510-F580 HydrophobicContact CZ2-CD2 4.33Å
511	H	39	Very low	53.4	Low	136 Å²	136	97.7 Å²	97.7	63%	0.63	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-116.5	12.2	-172.9	-63	-34.4	0	0	0	113.8	H509	H509-H511 PolarHBondContact O-N 3.02Å
512	Q	33.9	Very low	56.7	Low	158 Å²	158	94.5 Å²	94.5	74%	0.738	51%	0.514	S	S	*	.	S	Bend	trans	-103.7	-18.2	-174.9	-78.5	-171.6	-27.7	0	0	115.2
513	E	42.1	Very low	59.7	Low	140 Å²	140	87.1 Å²	87.1	65%	0.654	48%	0.481	S	S	*	.	S	Bend	trans	-104.3	127.7	173	-71.7	-171.5	162.4	0	0	109.5	K583	E513-K583 IonicContact OE2-NZ 2.69Å; E513-K583 PolarHBondContact OE2-NZ 2.97Å
514	G	51	Low	62.9	Low	47 Å²	47	78 Å²	78	49%	0.485	44%	0.439	S	S	.	.			trans	-54	141.7	175.5	0	0	0	0	0	111.4	D516	G514-D516 PolarHBondContact O-N 3.13Å; G514-D516 VanDerWaalsContact O-N 3.12Å
515	V	66	Low	66.2	Low	68 Å²	68	73 Å²	73	41%	0.412	40%	0.404	S	S	.	.			trans	-75.7	102.3	-177.1	-170.3	0	0	0	0	109.6	Y451 L452 V517	Y451-V515 HydrophobicContact CE1-CG1 3.54Å; L452-V515 HydrophobicContact CD2-CG1 3.79Å; V515-V517 VanDerWaalsContact C-N 3.28Å; V515-V517 HydrophobicContact CB-CG2 4.48Å; V515-V517 HydrophobicContact CG1-CG2 3.68Å; V515-V517 PolarHBondContact O-N 2.99Å
516	D	85.2	Confident	69.1	Low	86 Å²	86	72.5 Å²	72.5	46%	0.46	39%	0.392	S	S	.	.			trans	-82.8	74.9	172.9	-169.2	-8.6	0	0	0	110.8	G514 K518 T519 M520	G514-D516 PolarHBondContact O-N 3.13Å; G514-D516 VanDerWaalsContact O-N 3.12Å; D516-K518 PolarHBondContact O-N 2.89Å; D516-K518 PolarHBondContact OD1-N 3.15Å; D516-T519 VanDerWaalsContact CG-CB 3.4Å; D516-T519 WeakPolarHBondContact OD1-CB 3.32Å; D516-T519 PolarHBondContact OD1-N 3.29Å; D516-T519 PolarHBondContact OD1-OG1 2.99Å; D516-T519 WeakPolarHBondContact OD2-CB 3.2Å; D516-T519 PolarHBondContact OD2-OG1 3.46Å; D516-M520 PolarHBondContact O-N 2.95Å; D516-M520 VanDerWaalsContact O-N 3.15Å
517	V	90.9	Very high	71.8	Confident	3 Å²	3	69 Å²	69	2%	0.018	37%	0.365	C	S	.	.	H	α-helix	trans	-57.5	-41	177.3	178.5	0	0	0	0	110.7	L448 L452 W479 M482 V515 M520 M521	L448-V517 HydrophobicContact CD1-CG1 4.08Å; L448-V517 HydrophobicContact CD2-CG1 4.27Å; L452-V517 HydrophobicContact CD1-CG2 4.25Å; L452-V517 HydrophobicContact CD2-CG2 3.98Å; W479-V517 HydrophobicContact CE3-CG1 4.05Å; M482-V517 HydrophobicContact CB-CG1 4Å; V515-V517 VanDerWaalsContact C-N 3.28Å; V515-V517 HydrophobicContact CB-CG2 4.48Å; V515-V517 HydrophobicContact CG1-CG2 3.68Å; V515-V517 PolarHBondContact O-N 2.99Å; V517-M520 PolarHBondContact O-N 2.79Å; V517-M521 HydrophobicContact CG1-CG 3.9Å; V517-M521 WeakPolarHBondContact O-CB 3.33Å; V517-M521 VanDerWaalsContact O-CG 3.31Å; V517-M521 WeakPolarHBondContact O-CG 3.43Å; V517-M521 PolarHBondContact O-N 3.44Å
518	K	92.4	Very high	74.9	Confident	61 Å²	61	66 Å²	66	27%	0.265	34%	0.335	S	S	.	.	H	α-helix	trans	-61.7	-53	-177.2	-178.4	177	-67.5	-165.9	0	111.3	W479 D480 D516 M520 M521 N522	W479-K518 HydrophobicContact CB-CB 4.07Å; W479-K518 HydrophobicContact CB-CG 4.24Å; D480-K518 WeakPolarHBondContact OD1-CE 3.06Å; D480-K518 IonicContact OD1-NZ 2.67Å; D480-K518 PolarHBondContact OD1-NZ 3.42Å; D480-K518 IonicContact OD2-NZ 3.6Å; D516-K518 PolarHBondContact O-N 2.89Å; D516-K518 PolarHBondContact OD1-N 3.15Å; K518-M520 VanDerWaalsContact C-N 3.31Å; K518-M520 PolarHBondContact O-N 3.35Å; K518-M521 PolarHBondContact O-N 3.45Å; K518-N522 WeakPolarHBondContact O-CB 3.45Å; K518-N522 PolarHBondContact O-N 3.11Å; K518-N522 PolarHBondContact O-ND2 2.94Å
519	T	94.5	Very high	77.8	Confident	60 Å²	60	63.2 Å²	63.2	37%	0.368	32%	0.315	S	S	.	.	H	α-helix	trans	-62.6	-41.1	179.5	-60.9	0	0	0	0	110.8	D516 H564	D516-T519 VanDerWaalsContact CG-CB 3.4Å; D516-T519 WeakPolarHBondContact OD1-CB 3.32Å; D516-T519 PolarHBondContact OD1-N 3.29Å; D516-T519 PolarHBondContact OD1-OG1 2.99Å; D516-T519 WeakPolarHBondContact OD2-CB 3.2Å; D516-T519 PolarHBondContact OD2-OG1 3.46Å; T519-H564 VanDerWaalsContact CG2-CE1 3.48Å; T519-H564 WeakPolarHBondContact CG2-CE1 3.45Å
520	M	95.7	Very high	80.9	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-60.5	-53.9	176	170.3	172.4	165.3	0	0	112	M447 Y451 D516 V517 K518 N522 T523 H564 P566 L581	M447-M520 HydrophobicContact CE-CE 4.41Å; Y451-M520 HydrophobicContact CD1-CE 4.23Å; Y451-M520 HydrophobicContact CD1-SD 4.02Å; Y451-M520 HydrophobicContact CE1-SD 3.93Å; Y451-M520 HydrophobicContact CG-CE 4.41Å; D516-M520 PolarHBondContact O-N 2.95Å; D516-M520 VanDerWaalsContact O-N 3.15Å; V517-M520 PolarHBondContact O-N 2.79Å; K518-M520 VanDerWaalsContact C-N 3.31Å; K518-M520 PolarHBondContact O-N 3.35Å; M520-N522 VanDerWaalsContact C-N 3.34Å; M520-N522 PolarHBondContact O-N 2.9Å; M520-T523 WeakPolarHBondContact O-CB 3.37Å; M520-T523 PolarHBondContact O-N 2.84Å; M520-T523 VanDerWaalsContact O-N 3.1Å; M520-T523 PolarHBondContact O-OG1 2.97Å; M520-H564 HydrophobicContact CB-CB 3.82Å; M520-H564 HydrophobicContact CG-CB 3.77Å; M520-P566 HydrophobicContact CE-CB 4.18Å; M520-P566 HydrophobicContact CE-CG 3.62Å; M520-L581 HydrophobicContact SD-CD1 4.33Å
521	M	97.2	Very high	83.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-75.2	-22.6	-172.4	-63.5	-52.9	-64.2	0	0	113.7	I444 L448 W479 V517 K518 T523 W524 T525	I444-M521 HydrophobicContact CB-CE 4.15Å; I444-M521 HydrophobicContact CD1-CE 4.23Å; I444-M521 HydrophobicContact CG1-CE 4.24Å; L448-M521 HydrophobicContact CB-CE 4.25Å; L448-M521 HydrophobicContact CB-SD 4.12Å; L448-M521 HydrophobicContact CD1-CG 4.17Å; L448-M521 HydrophobicContact CD1-SD 3.91Å; L448-M521 HydrophobicContact CD2-CE 4.21Å; L448-M521 HydrophobicContact CD2-CG 4.02Å; L448-M521 HydrophobicContact CD2-SD 4.09Å; L448-M521 HydrophobicContact CG-SD 4.26Å; W479-M521 HydrophobicContact CD2-CB 3.64Å; W479-M521 HydrophobicContact CD2-CG 4.2Å; W479-M521 VanDerWaalsContact CE2-CB 3.45Å; W479-M521 HydrophobicContact CE3-CB 3.8Å; W479-M521 HydrophobicContact CE3-CG 3.82Å; W479-M521 HydrophobicContact CG-CB 4.4Å; W479-M521 HydrophobicContact CH2-CB 3.65Å; W479-M521 HydrophobicContact CH2-CE 3.57Å; W479-M521 HydrophobicContact CH2-CG 3.81Å; W479-M521 HydrophobicContact CZ2-CB 3.48Å; W479-M521 VanDerWaalsContact CZ2-CB 3.48Å; W479-M521 HydrophobicContact CZ2-CE 4.22Å; W479-M521 HydrophobicContact CZ2-CG 4.18Å; W479-M521 HydrophobicContact CZ3-CB 3.81Å; W479-M521 HydrophobicContact CZ3-CE 4.09Å; W479-M521 HydrophobicContact CZ3-CG 3.63Å; V517-M521 HydrophobicContact CG1-CG 3.9Å; V517-M521 WeakPolarHBondContact O-CB 3.33Å; V517-M521 VanDerWaalsContact O-CG 3.31Å; V517-M521 WeakPolarHBondContact O-CG 3.43Å; V517-M521 PolarHBondContact O-N 3.44Å; K518-M521 PolarHBondContact O-N 3.45Å; M521-T523 VanDerWaalsContact C-N 3.26Å; M521-T523 PolarHBondContact O-N 3.17Å; M521-W524 HydrophobicContact CE-CB 4.33Å; M521-W524 PolarHBondContact O-N 3.46Å; M521-T525 PolarHBondContact O-N 3.49Å; M521-T525 PolarHBondContact O-OG1 3.3Å
522	N	97.3	Very high	86.5	Confident	44 Å²	44	41.9 Å²	41.9	24%	0.235	22%	0.222	C	C	.	.	H	α-helix	trans	-60.2	-37.7	167.1	-77.8	-10.6	0	0	0	111.5	K518 M520 W524 T525 L526	K518-N522 WeakPolarHBondContact O-CB 3.45Å; K518-N522 PolarHBondContact O-N 3.11Å; K518-N522 PolarHBondContact O-ND2 2.94Å; M520-N522 VanDerWaalsContact C-N 3.34Å; M520-N522 PolarHBondContact O-N 2.9Å; N522-W524 PolarHBondContact O-N 2.91Å; N522-T525 PolarHBondContact O-N 2.79Å; N522-L526 HydrophobicContact CB-CD1 4.1Å; N522-L526 WeakPolarHBondContact O-CB 3.41Å; N522-L526 PolarHBondContact O-N 3.28Å
523	T	97.6	Very high	89.6	Confident	21 Å²	21	34.3 Å²	34.3	13%	0.129	19%	0.187	C	C	.	.	H	α-helix	trans	-68.1	-14	173.6	72.6	0	0	0	0	113.5	M520 M521 Q527 W563 H564	M520-T523 WeakPolarHBondContact O-CB 3.37Å; M520-T523 PolarHBondContact O-N 2.84Å; M520-T523 VanDerWaalsContact O-N 3.1Å; M520-T523 PolarHBondContact O-OG1 2.97Å; M521-T523 VanDerWaalsContact C-N 3.26Å; M521-T523 PolarHBondContact O-N 3.17Å; T523-Q527 WeakPolarHBondContact O-CG 3.34Å; T523-Q527 PolarHBondContact O-NE2 3.05Å; T523-W563 PolarHBondContact O-NE1 3.38Å; T523-W563 VanDerWaalsContact O-NE1 3.08Å; T523-H564 PolarHBondContact OG1-N 2.68Å
524	W	98.3	Very high	92.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-100.2	-24.5	178	-67.5	105.6	0	0	0	113.1	I444 M447 M521 N522 P531 W563 H564 V565 Y607	I444-W524 HydrophobicContact CB-CB 4.49Å; I444-W524 HydrophobicContact CD1-CB 4.22Å; I444-W524 HydrophobicContact CG2-CB 4.25Å; I444-W524 HydrophobicContact CG2-CE3 4.22Å; M447-W524 HydrophobicContact CE-CD2 3.57Å; M447-W524 HydrophobicContact CE-CE3 4.14Å; M447-W524 HydrophobicContact CE-CG 3.9Å; M447-W524 HydrophobicContact CE-CH2 4.22Å; M447-W524 HydrophobicContact CE-CZ2 3.68Å; M447-W524 HydrophobicContact CE-CZ3 4.43Å; M447-W524 HydrophobicContact SD-CH2 4.23Å; M447-W524 HydrophobicContact SD-CZ2 3.93Å; M521-W524 HydrophobicContact CE-CB 4.33Å; M521-W524 PolarHBondContact O-N 3.46Å; N522-W524 PolarHBondContact O-N 2.91Å; W524-P531 HydrophobicContact CH2-CG 3.85Å; W524-P531 HydrophobicContact CZ3-CG 4.45Å; W524-W563 AromaticContact CD2-CD1 3.61Å; W524-W563 AromaticContact CE2-CD1 3.8Å; W524-W563 AromaticContact CE3-CD1 3.5Å; W524-W563 AromaticContact CE3-NE1 3.86Å; W524-W563 HydrophobicContact CH2-CB 4.3Å; W524-W563 AromaticContact CH2-CD1 3.86Å; W524-W563 HydrophobicContact CH2-CG 4.2Å; W524-W563 HydrophobicContact CZ2-CB 3.94Å; W524-W563 AromaticContact CZ2-CD1 3.94Å; W524-W563 HydrophobicContact CZ2-CG 4.22Å; W524-W563 AromaticContact CZ3-CD1 3.63Å; W524-W563 HydrophobicContact CZ3-CG 4.35Å; W524-W563 AromaticContact CZ3-NE1 3.97Å; W524-H564 PolarHBondContact NE1-O 3.15Å; W524-V565 HydrophobicContact CH2-CG1 4.48Å; W524-V565 HydrophobicContact CH2-CG2 4.44Å; W524-V565 HydrophobicContact CZ2-CB 4.39Å; W524-V565 HydrophobicContact CZ2-CG1 4.26Å; W524-V565 HydrophobicContact CZ2-CG2 4.07Å; W524-Y607 HydrophobicContact CE3-CD1 4.46Å; W524-Y607 WeakPolarHBondContact CH2-O 3.15Å; W524-Y607 HydrophobicContact CZ3-CD1 4.11Å; W524-Y607 VanDerWaalsContact CZ3-O 3.24Å; W524-Y607 WeakPolarHBondContact CZ3-O 3.2Å
525	T	97.9	Very high	94.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-102.4	-31.8	-175.3	49.3	0	0	0	0	114.3	W373 P418 V419 S420 I444 N475 W479 M521 N522	W373-T525 HydrophobicContact CH2-CG2 4.28Å; W373-T525 HydrophobicContact CZ2-CG2 3.93Å; P418-T525 WeakPolarHBondContact CB-O 3.37Å; V419-T525 HydrophobicContact CB-CG2 4.45Å; V419-T525 PolarHBondContact N-O 2.98Å; V419-T525 VanDerWaalsContact N-O 3.11Å; S420-T525 PolarHBondContact N-O 2.94Å; I444-T525 HydrophobicContact CD1-CG2 3.8Å; N475-T525 PolarHBondContact ND2-OG1 3.09Å; W479-T525 HydrophobicContact CZ2-CG2 3.87Å; M521-T525 PolarHBondContact O-N 3.49Å; M521-T525 PolarHBondContact O-OG1 3.3Å; N522-T525 PolarHBondContact O-N 2.79Å
526	L	97.3	Very high	96	Very high	98 Å²	98	23.4 Å²	23.4	51%	0.513	12%	0.12	S	C	.	.	S	Bend	trans	-99.8	-3.7	-173.1	-56.3	-179.5	0	0	0	114.1	N522	N522-L526 HydrophobicContact CB-CD1 4.1Å; N522-L526 WeakPolarHBondContact O-CB 3.41Å; N522-L526 PolarHBondContact O-N 3.28Å
527	Q	95	Very high	96.6	Very high	30 Å²	30	21.8 Å²	21.8	14%	0.14	11%	0.114	C	C	.	.	S	Bend	trans	-124.8	143.7	171	65.6	-161	26.5	0	0	110.5	T523 Y561 L562 W563	T523-Q527 WeakPolarHBondContact O-CG 3.34Å; T523-Q527 PolarHBondContact O-NE2 3.05Å; Q527-Y561 HydrophobicContact CB-CD2 4.43Å; Q527-Y561 HydrophobicContact CB-CE2 4.3Å; Q527-L562 PolarHBondContact NE2-O 3.47Å; Q527-W563 HydrophobicContact CG-CZ2 4.16Å; Q527-W563 VanDerWaalsContact NE2-CG 3.27Å
528	R	94.6	Very high	96.8	Very high	59 Å²	59	27.5 Å²	27.5	22%	0.223	14%	0.135	C	C	.	.			trans	-80.3	165.8	176.3	66.8	-174.9	174.5	165	10.8	111.4	N414 S416 P418 Y561	N414-R528 PolarHBondContact O-NH1 3.33Å; N414-R528 PolarHBondContact OD1-NH2 3.2Å; S416-R528 VanDerWaalsContact O-CD 3.28Å; S416-R528 WeakPolarHBondContact O-CD 3.39Å; S416-R528 PolarHBondContact O-NH1 3.4Å; P418-R528 HydrophobicContact CG-CB 4.44Å; R528-Y561 HydrophobicContact CG-CE2 4Å; R528-Y561 WeakPolarHBondContact O-CE2 3.4Å
529	G	95.6	Very high	96.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	72.6	-172.6	179.6	0	0	0	0	0	113.1	D411 K440	D411-G529 VanDerWaalsContact CG-CA 3.43Å; D411-G529 WeakPolarHBondContact O-CA 3.45Å; D411-G529 WeakPolarHBondContact OD1-CA 3.41Å; D411-G529 PolarHBondContact OD1-N 3.04Å; D411-G529 WeakPolarHBondContact OD2-CA 3.38Å; D411-G529 PolarHBondContact OD2-N 3.41Å; K440-G529 PolarHBondContact NZ-O 2.97Å
530	F	97.9	Very high	96.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.142	C	C	.	.			trans	-144.8	159.2	-178.2	56.5	-89.4	0	0	0	110.9	M408 D411 A412 Y549 Y607 I609	M408-F530 HydrophobicContact CB-CD1 4.49Å; M408-F530 HydrophobicContact CB-CE1 3.7Å; M408-F530 HydrophobicContact CB-CZ 3.8Å; M408-F530 HydrophobicContact CE-CD2 4.26Å; M408-F530 HydrophobicContact CE-CE2 4.46Å; M408-F530 HydrophobicContact CE-CG 4.47Å; M408-F530 HydrophobicContact CG-CD1 3.94Å; M408-F530 HydrophobicContact CG-CE1 3.59Å; M408-F530 HydrophobicContact CG-CE2 4.21Å; M408-F530 HydrophobicContact CG-CG 4.4Å; M408-F530 HydrophobicContact CG-CZ 3.72Å; M408-F530 HydrophobicContact SD-CE2 4.19Å; M408-F530 HydrophobicContact SD-CZ 4.19Å; D411-F530 HydrophobicContact CB-CD1 4.26Å; D411-F530 HydrophobicContact CB-CE1 4.41Å; A412-F530 HydrophobicContact CB-CE1 4.03Å; A412-F530 HydrophobicContact CB-CZ 4.17Å; F530-Y549 HydrophobicContact CD2-CD1 4.47Å; F530-Y549 HydrophobicContact CE1-CD1 4.08Å; F530-Y549 AromaticContact CE2-CD1 3.48Å; F530-Y549 HydrophobicContact CE2-CD1 3.48Å; F530-Y549 VanDerWaalsContact CE2-CD1 3.48Å; F530-Y549 HydrophobicContact CE2-CE1 4.26Å; F530-Y549 AromaticContact CE2-CG 3.75Å; F530-Y549 HydrophobicContact CE2-CG 3.75Å; F530-Y549 AromaticContact CZ-CD1 3.24Å; F530-Y549 HydrophobicContact CZ-CD1 3.24Å; F530-Y549 AromaticContact CZ-CE1 3.79Å; F530-Y549 HydrophobicContact CZ-CE1 3.79Å; F530-Y549 HydrophobicContact CZ-CG 4.02Å; F530-Y549 WeakPolarHBondContact O-CB 3.48Å; F530-Y549 PolarHBondContact O-N 3.26Å; F530-Y607 HydrophobicContact CB-CD1 3.8Å; F530-Y607 HydrophobicContact CB-CE1 3.78Å; F530-Y607 HydrophobicContact CD1-CE1 4.09Å; F530-Y607 HydrophobicContact CG-CE1 4.24Å; F530-I609 HydrophobicContact CD2-CG2 4.42Å; F530-I609 HydrophobicContact CE2-CB 4.46Å; F530-I609 HydrophobicContact CE2-CD1 4.26Å; F530-I609 HydrophobicContact CE2-CG1 4.02Å; F530-I609 HydrophobicContact CE2-CG2 3.76Å
531	P	97.7	Very high	97	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	140.6	-179.2	29.3	-29.7	0	0	0	112.5	W524 I533 Q546 E547 W563 V565 Y608 I609	W524-P531 HydrophobicContact CH2-CG 3.85Å; W524-P531 HydrophobicContact CZ3-CG 4.45Å; P531-I533 HydrophobicContact CB-CD1 4.03Å; P531-I533 HydrophobicContact CG-CD1 4.33Å; P531-Q546 HydrophobicContact CB-CB 4.34Å; P531-E547 CarbonylContact C-O 3.57Å; P531-E547 WeakPolarHBondContact CA-O 3.38Å; P531-W563 HydrophobicContact CB-CD2 4.16Å; P531-W563 HydrophobicContact CB-CE3 3.73Å; P531-W563 HydrophobicContact CB-CZ3 4.11Å; P531-W563 HydrophobicContact CG-CB 4.26Å; P531-W563 HydrophobicContact CG-CD2 4.02Å; P531-W563 HydrophobicContact CG-CE3 4.12Å; P531-W563 HydrophobicContact CG-CG 4.11Å; P531-V565 HydrophobicContact CG-CG2 3.83Å; P531-Y608 WeakPolarHBondContact O-CB 3.24Å; P531-I609 PolarHBondContact O-N 2.9Å
532	L	98	Very high	97.1	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	123	155.3	168.9	61.5	0	0	0	108.8	Q546 E547 Y549 I609 H611 L646 I649	L532-Q546 WeakPolarHBondContact O-CA 3.35Å; L532-E547 HydrophobicContact CB-CG 4.12Å; L532-E547 HydrophobicContact CD2-CG 4.12Å; L532-E547 HydrophobicContact CG-CG 4.29Å; L532-E547 PolarHBondContact N-O 3.43Å; L532-E547 PolarHBondContact O-N 3.14Å; L532-Y549 HydrophobicContact CB-CD2 4.42Å; L532-I609 HydrophobicContact CB-CG1 4.28Å; L532-I609 HydrophobicContact CD1-CD1 3.97Å; L532-I609 HydrophobicContact CD1-CG1 3.76Å; L532-H611 HydrophobicContact CD1-CB 3.78Å; L532-L646 HydrophobicContact CD1-CD2 3.78Å; L532-L646 HydrophobicContact CD2-CD2 4.3Å; L532-I649 HydrophobicContact CD2-CD1 3.74Å
533	I	98.6	Very high	97.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	113.8	174.6	-51	-57.3	0	0	0	109.1	P531 I535 K545 Q546 V565 L567 L582 Y608 I609 V610 H611	P531-I533 HydrophobicContact CB-CD1 4.03Å; P531-I533 HydrophobicContact CG-CD1 4.33Å; I533-I535 HydrophobicContact CG2-CD1 3.73Å; I533-I535 HydrophobicContact CG2-CG1 4.43Å; I533-K545 CarbonylContact C-O 3.52Å; I533-K545 WeakPolarHBondContact CA-O 3.38Å; I533-Q546 HydrophobicContact CD1-CB 3.68Å; I533-V565 HydrophobicContact CD1-CG1 4.43Å; I533-V565 HydrophobicContact CD1-CG2 4.32Å; I533-L567 HydrophobicContact CD1-CD2 4.29Å; I533-L567 HydrophobicContact CG1-CD2 3.94Å; I533-L567 HydrophobicContact CG2-CD1 4.43Å; I533-L567 HydrophobicContact CG2-CD2 4.2Å; I533-L582 HydrophobicContact CD1-CD2 4.12Å; I533-Y608 HydrophobicContact CB-CD2 4.36Å; I533-Y608 HydrophobicContact CG1-CD2 3.53Å; I533-Y608 HydrophobicContact CG1-CE2 4.14Å; I533-Y608 HydrophobicContact CG1-CG 4.09Å; I533-I609 PolarHBondContact N-O 3.07Å; I533-V610 CarbonylContact O-C 3.56Å; I533-V610 WeakPolarHBondContact O-CA 2.96Å; I533-H611 PolarHBondContact O-N 3.27Å
534	T	98.6	Very high	97.1	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.018	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	128.5	173.6	-60.4	0	0	0	0	109.9	M544 K545 H611 E613	T534-M544 WeakPolarHBondContact O-CA 3.43Å; T534-K545 PolarHBondContact N-O 3.04Å; T534-K545 PolarHBondContact O-N 2.87Å; T534-H611 CarbonylContact C-O 3.5Å; T534-H611 WeakPolarHBondContact CA-O 3.42Å; T534-E613 HydrophobicContact CG2-CG 3.65Å
535	I	98.5	Very high	97.1	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.9	-178.8	-56.1	-59.5	0	0	0	109.6	I533 V537 V542 H543 M544 F600 V610 H611 Y612 E613	I533-I535 HydrophobicContact CG2-CD1 3.73Å; I533-I535 HydrophobicContact CG2-CG1 4.43Å; I535-V537 HydrophobicContact CG2-CG2 4.14Å; I535-V542 HydrophobicContact CG2-CG1 3.84Å; I535-H543 WeakPolarHBondContact CA-O 3.36Å; I535-M544 HydrophobicContact CD1-CB 4.35Å; I535-M544 HydrophobicContact CD1-CG 3.66Å; I535-F600 HydrophobicContact CB-CE2 4.5Å; I535-F600 HydrophobicContact CD1-CD1 4.21Å; I535-F600 HydrophobicContact CD1-CD2 3.83Å; I535-F600 HydrophobicContact CD1-CE1 4.01Å; I535-F600 HydrophobicContact CD1-CE2 3.6Å; I535-F600 HydrophobicContact CD1-CG 4.12Å; I535-F600 HydrophobicContact CD1-CZ 3.7Å; I535-F600 HydrophobicContact CG1-CD2 3.75Å; I535-F600 HydrophobicContact CG1-CE2 3.86Å; I535-F600 HydrophobicContact CG1-CG 4.27Å; I535-F600 HydrophobicContact CG1-CZ 4.46Å; I535-F600 HydrophobicContact CG2-CD2 4.31Å; I535-F600 HydrophobicContact CG2-CE2 3.82Å; I535-V610 HydrophobicContact CG1-CG1 3.69Å; I535-H611 PolarHBondContact N-O 2.79Å; I535-Y612 HydrophobicContact CB-CD1 4Å; I535-Y612 HydrophobicContact CB-CE1 4.4Å; I535-Y612 HydrophobicContact CG1-CD1 4.41Å; I535-Y612 HydrophobicContact CG1-CE1 4.35Å; I535-Y612 HydrophobicContact CG2-CD1 4.24Å; I535-E613 PolarHBondContact O-N 3.01Å
536	T	98.1	Very high	97.1	Very high	21 Å²	21	36 Å²	36	13%	0.129	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	117.5	176.8	-42.6	0	0	0	0	109	R538 H543 E613	T536-R538 VanDerWaalsContact CG2-CZ 3.45Å; T536-H543 PolarHBondContact N-O 3.04Å; T536-H543 PolarHBondContact O-N 3.32Å; T536-E613 HydrophobicContact CG2-CB 4.44Å; T536-E613 PolarHBondContact OG1-OE2 3.15Å
537	V	96.7	Very high	97	Very high	52 Å²	52	33.6 Å²	33.6	32%	0.315	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.5	-176.8	-174.7	0	0	0	0	110.3	I535 G539 V542 I598	I535-V537 HydrophobicContact CG2-CG2 4.14Å; V537-G539 WeakPolarHBondContact CG1-O 3.49Å; V537-V542 HydrophobicContact CG1-CG2 4.42Å; V537-V542 HydrophobicContact CG2-CG2 4.31Å; V537-I598 HydrophobicContact CG2-CG2 3.88Å
538	R	95.3	Very high	97	Very high	122 Å²	122	33.7 Å²	33.7	46%	0.46	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	88.5	178.4	-64.6	-71.4	176.8	-90.9	4.2	109	T536 R540 N541 D614	T536-R538 VanDerWaalsContact CG2-CZ 3.45Å; R538-R540 PolarHBondContact O-N 3.03Å; R538-N541 PolarHBondContact N-O 3.19Å; R538-N541 PolarHBondContact O-N 2.95Å; R538-D614 IonicContact CZ-OD2 3.93Å; R538-D614 IonicContact NH1-OD2 3.74Å; R538-D614 PolarHBondContact NH1-OD2 3.05Å; R538-D614 IonicContact NH2-OD1 2.72Å; R538-D614 IonicContact NH2-OD2 2.6Å; R538-D614 PolarHBondContact NH2-OD2 3.11Å
539	G	94.2	Very high	97	Very high	35 Å²	35	31 Å²	31	36%	0.361	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	-115	-169.5	0	0	0	0	0	110	V537 E594	V537-G539 WeakPolarHBondContact CG1-O 3.49Å; G539-E594 WeakPolarHBondContact CA-OE1 3.44Å
540	R	95.8	Very high	96.8	Very high	112 Å²	112	32.3 Å²	32.3	42%	0.423	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-11.5	176.3	-58.5	-168.5	-59.2	129.4	0.7	114.6	R538 I590 L591 P592 E594	R538-R540 PolarHBondContact O-N 3.03Å; R540-I590 HydrophobicContact CB-CG2 4.36Å; R540-L591 HydrophobicContact CB-CB 4.41Å; R540-L591 WeakPolarHBondContact CD-O 3.49Å; R540-L591 PolarHBondContact NH1-O 3.22Å; R540-L591 PolarHBondContact O-N 3.08Å; R540-P592 PolarHBondContact NH1-O 3.18Å; R540-E594 HydrophobicContact CG-CG 3.56Å
541	N	97.2	Very high	96.2	Very high	65 Å²	65	34.8 Å²	34.8	35%	0.348	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	120.6	-177.5	-61	-23.2	0	0	0	109.2	R538 V588	R538-N541 PolarHBondContact N-O 3.19Å; R538-N541 PolarHBondContact O-N 2.95Å; N541-V588 HydrophobicContact CB-CG2 4.26Å
542	V	98.1	Very high	94.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	105.1	177.4	179	0	0	0	0	107.3	I535 V537 V588 L589 L591 I598 F600	I535-V542 HydrophobicContact CG2-CG1 3.84Å; V537-V542 HydrophobicContact CG1-CG2 4.42Å; V537-V542 HydrophobicContact CG2-CG2 4.31Å; V542-V588 WeakPolarHBondContact O-CA 3.47Å; V542-L589 HydrophobicContact CB-CD1 3.63Å; V542-L589 HydrophobicContact CB-CG 3.78Å; V542-L589 HydrophobicContact CG1-CD1 4.36Å; V542-L589 HydrophobicContact CG1-CG 4.26Å; V542-L589 HydrophobicContact CG2-CD1 3.82Å; V542-L589 PolarHBondContact N-O 3.28Å; V542-L589 PolarHBondContact O-N 3.23Å; V542-L591 HydrophobicContact CG2-CD1 3.65Å; V542-L591 HydrophobicContact CG2-CD2 4.47Å; V542-L591 HydrophobicContact CG2-CG 3.79Å; V542-I598 HydrophobicContact CG1-CD1 4.25Å; V542-I598 HydrophobicContact CG2-CD1 4.14Å; V542-F600 HydrophobicContact CG1-CE2 3.99Å; V542-F600 HydrophobicContact CG1-CZ 3.88Å
543	H	98.2	Very high	93	Very high	79 Å²	79	40.8 Å²	40.8	37%	0.366	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	136.2	177	-61.5	-91.3	0	0	0	109.5	I535 T536	I535-H543 WeakPolarHBondContact CA-O 3.36Å; T536-H543 PolarHBondContact N-O 3.04Å; T536-H543 PolarHBondContact O-N 3.32Å
544	M	98.2	Very high	90.7	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.015	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.7	179.7	-64.4	156.7	-74.3	0	0	108.7	T534 I535 L567 F580 L582 T586 D587 L589 F600	T534-M544 WeakPolarHBondContact O-CA 3.43Å; I535-M544 HydrophobicContact CD1-CB 4.35Å; I535-M544 HydrophobicContact CD1-CG 3.66Å; M544-L567 HydrophobicContact CG-CD1 4.23Å; M544-L567 HydrophobicContact SD-CD1 3.6Å; M544-F580 HydrophobicContact CE-CD1 4.02Å; M544-F580 HydrophobicContact CE-CD2 4.4Å; M544-F580 HydrophobicContact CE-CE1 3.71Å; M544-F580 HydrophobicContact CE-CE2 4.12Å; M544-F580 HydrophobicContact CE-CG 4.37Å; M544-F580 HydrophobicContact CE-CZ 3.77Å; M544-F580 HydrophobicContact SD-CD1 3.82Å; M544-F580 HydrophobicContact SD-CE1 4.03Å; M544-F580 HydrophobicContact SD-CG 4.26Å; M544-L582 HydrophobicContact CB-CD1 4.48Å; M544-L582 HydrophobicContact CB-CD2 4.44Å; M544-T586 CarbonylContact O-C 3.59Å; M544-T586 WeakPolarHBondContact O-CA 3.16Å; M544-D587 HydrophobicContact CE-CB 4.39Å; M544-D587 PolarHBondContact N-O 2.83Å; M544-D587 PolarHBondContact O-N 2.95Å; M544-L589 HydrophobicContact CE-CB 3.87Å; M544-L589 HydrophobicContact CE-CD2 3.79Å; M544-L589 HydrophobicContact CE-CG 3.85Å; M544-L589 HydrophobicContact SD-CD2 3.79Å; M544-L589 HydrophobicContact SD-CG 4.44Å; M544-F600 HydrophobicContact CG-CE1 4.49Å; M544-F600 HydrophobicContact CG-CZ 4.38Å; M544-F600 HydrophobicContact SD-CE1 4.18Å; M544-F600 HydrophobicContact SD-CZ 4.33Å
545	K	98.1	Very high	88.5	Confident	71 Å²	71	52.8 Å²	52.8	31%	0.309	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	131	173.1	175.5	-172.4	167.2	-148.1	0	109.2	I533 T534 E547 K585 T586	I533-K545 CarbonylContact C-O 3.52Å; I533-K545 WeakPolarHBondContact CA-O 3.38Å; T534-K545 PolarHBondContact N-O 3.04Å; T534-K545 PolarHBondContact O-N 2.87Å; K545-E547 IonicContact NZ-OE1 3.48Å; K545-E547 IonicContact NZ-OE2 2.82Å; K545-E547 PolarHBondContact NZ-OE2 3.48Å; K545-K585 CarbonylContact C-O 3.6Å; K545-K585 WeakPolarHBondContact CA-O 3.44Å; K545-T586 HydrophobicContact CB-CG2 4.05Å; K545-T586 HydrophobicContact CG-CG2 3.98Å
546	Q	97.6	Very high	86.3	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.009	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	140.4	169.1	62.7	173.5	-59.2	0	0	111.4	P531 L532 I533 L562 W563 L582 T584 K585	P531-Q546 HydrophobicContact CB-CB 4.34Å; L532-Q546 WeakPolarHBondContact O-CA 3.35Å; I533-Q546 HydrophobicContact CD1-CB 3.68Å; Q546-L562 HydrophobicContact CG-CD2 4.02Å; Q546-W563 PolarHBondContact NE2-O 3.11Å; Q546-W563 PolarHBondContact OE1-O 3.38Å; Q546-L582 HydrophobicContact CB-CD2 3.9Å; Q546-L582 HydrophobicContact CG-CD2 4.09Å; Q546-T584 PolarHBondContact NE2-O 3.26Å; Q546-K585 PolarHBondContact N-O 3.31Å
547	E	95.5	Very high	84.3	Confident	48 Å²	48	59.2 Å²	59.2	22%	0.224	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	152	169.2	60.6	-166.2	160.1	0	0	109.8	P531 L532 K545 Y549 K651	P531-E547 CarbonylContact C-O 3.57Å; P531-E547 WeakPolarHBondContact CA-O 3.38Å; L532-E547 HydrophobicContact CB-CG 4.12Å; L532-E547 HydrophobicContact CD2-CG 4.12Å; L532-E547 HydrophobicContact CG-CG 4.29Å; L532-E547 PolarHBondContact N-O 3.43Å; L532-E547 PolarHBondContact O-N 3.14Å; K545-E547 IonicContact NZ-OE1 3.48Å; K545-E547 IonicContact NZ-OE2 2.82Å; K545-E547 PolarHBondContact NZ-OE2 3.48Å; E547-Y549 PolarHBondContact O-N 3.41Å; E547-K651 IonicContact OE1-NZ 3.6Å; E547-K651 PolarHBondContact OE1-NZ 3.04Å
548	H	95.3	Very high	82.9	Confident	32 Å²	32	62.3 Å²	62.3	15%	0.148	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	123.7	177.8	-180	-172.4	0	0	0	110.3	M550 T559 Y561 W563	H548-M550 WeakPolarHBondContact CE1-CE 3.42Å; H548-T559 PolarHBondContact ND1-OG1 3.39Å; H548-T559 VanDerWaalsContact ND1-OG1 3.16Å; H548-Y561 AromaticContact CE1-CD2 3.6Å; H548-Y561 AromaticContact CE1-CE2 3.54Å; H548-Y561 AromaticContact CG-CD2 3.91Å; H548-Y561 AromaticContact ND1-CD2 3.35Å; H548-Y561 VanDerWaalsContact ND1-CD2 3.35Å; H548-Y561 WeakPolarHBondContact ND1-CD2 3.46Å; H548-Y561 AromaticContact ND1-CE2 3.7Å; H548-W563 HydrophobicContact CB-CH2 3.82Å; H548-W563 HydrophobicContact CB-CZ3 4.05Å; H548-W563 AromaticContact CD2-CH2 3.86Å; H548-W563 AromaticContact CG-CH2 3.83Å
549	Y	94.4	Very high	82	Confident	1 Å²	1	59.1 Å²	59.1	0%	0.004	36%	0.359	C	S	.	.			trans	-78.7	126.4	173.2	-179.4	-96.3	0	0	0	111	A412 F530 L532 E547 K551 I609 Q645 I649	A412-Y549 HydrophobicContact CB-CD1 3.74Å; A412-Y549 HydrophobicContact CB-CE1 3.48Å; A412-Y549 VanDerWaalsContact CB-CE1 3.48Å; F530-Y549 HydrophobicContact CD2-CD1 4.47Å; F530-Y549 HydrophobicContact CE1-CD1 4.08Å; F530-Y549 AromaticContact CE2-CD1 3.48Å; F530-Y549 HydrophobicContact CE2-CD1 3.48Å; F530-Y549 VanDerWaalsContact CE2-CD1 3.48Å; F530-Y549 HydrophobicContact CE2-CE1 4.26Å; F530-Y549 AromaticContact CE2-CG 3.75Å; F530-Y549 HydrophobicContact CE2-CG 3.75Å; F530-Y549 AromaticContact CZ-CD1 3.24Å; F530-Y549 HydrophobicContact CZ-CD1 3.24Å; F530-Y549 AromaticContact CZ-CE1 3.79Å; F530-Y549 HydrophobicContact CZ-CE1 3.79Å; F530-Y549 HydrophobicContact CZ-CG 4.02Å; F530-Y549 WeakPolarHBondContact O-CB 3.48Å; F530-Y549 PolarHBondContact O-N 3.26Å; L532-Y549 HydrophobicContact CB-CD2 4.42Å; E547-Y549 PolarHBondContact O-N 3.41Å; Y549-K551 HydrophobicContact CE1-CG 4.02Å; Y549-I609 HydrophobicContact CD1-CD1 4.41Å; Y549-I609 HydrophobicContact CD2-CD1 3.28Å; Y549-I609 HydrophobicContact CD2-CG1 4.26Å; Y549-I609 HydrophobicContact CE2-CD1 3.43Å; Y549-I609 VanDerWaalsContact CE2-CD1 3.43Å; Y549-I609 HydrophobicContact CG-CD1 3.81Å; Y549-I609 HydrophobicContact CG-CG1 4.47Å; Y549-Q645 HydrophobicContact CE2-CB 4.49Å; Y549-Q645 PolarHBondContact OH-O 2.88Å; Y549-Q645 PolarHBondContact OH-OE1 3.39Å; Y549-Q645 VanDerWaalsContact OH-OE1 3.08Å; Y549-I649 HydrophobicContact CD2-CD1 3.78Å; Y549-I649 HydrophobicContact CD2-CG2 4.3Å; Y549-I649 HydrophobicContact CE2-CB 4.44Å; Y549-I649 HydrophobicContact CE2-CD1 3.65Å; Y549-I649 HydrophobicContact CE2-CG1 3.93Å; Y549-I649 HydrophobicContact CE2-CG2 3.65Å
550	M	90.4	Very high	81.6	Confident	28 Å²	28	60 Å²	60	14%	0.138	37%	0.368	C	S	.	.			trans	-145.8	129.1	177.8	-169.8	178.5	-64.4	0	0	110.9	A412 N414 H548 A556 T559 I649	A412-M550 WeakPolarHBondContact O-CA 3.16Å; N414-M550 HydrophobicContact CB-SD 4.13Å; H548-M550 WeakPolarHBondContact CE1-CE 3.42Å; M550-A556 HydrophobicContact SD-CB 4.48Å; M550-T559 HydrophobicContact CE-CG2 4.5Å; M550-I649 WeakPolarHBondContact O-CG2 3.43Å
551	K	86.6	Confident	81.4	Confident	53 Å²	53	57.6 Å²	57.6	23%	0.23	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	144.3	177.7	-75.7	177.8	-178.6	179.5	0	111.6	A412 L413 Y549 S553	A412-K551 HydrophobicContact CB-CD 3.98Å; A412-K551 HydrophobicContact CB-CG 3.96Å; A412-K551 PolarHBondContact O-N 2.97Å; L413-K551 HydrophobicContact CD2-CB 4.38Å; Y549-K551 HydrophobicContact CE1-CG 4.02Å; K551-S553 VanDerWaalsContact C-N 3.31Å; K551-S553 PolarHBondContact O-N 3.3Å
552	G	69.7	Low	81.4	Confident	78 Å²	78	57.8 Å²	57.8	80%	0.804	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	15.8	170.9	0	0	0	0	0	115.6
553	S	58.1	Low	81.4	Confident	50 Å²	50	57.8 Å²	57.8	35%	0.35	36%	0.36	S	S	.	.			trans	-102.1	81.1	-179.2	149.1	0	0	0	0	110.5	K551 G555 A556	K551-S553 VanDerWaalsContact C-N 3.31Å; K551-S553 PolarHBondContact O-N 3.3Å; S553-G555 VanDerWaalsContact C-N 3.31Å; S553-G555 PolarHBondContact O-N 3.18Å; S553-G555 VanDerWaalsContact O-N 3.1Å; S553-A556 WeakPolarHBondContact OG-CB 3.45Å; S553-A556 PolarHBondContact OG-N 3.1Å; S553-A556 VanDerWaalsContact OG-N 3.09Å
554	D	49.9	Very low	81.4	Confident	177 Å²	177	55.9 Å²	55.9	95%	0.947	35%	0.351	S	S	*	.	S	Bend	trans	-73.9	93.7	154	-85.8	-24.4	0	0	0	107.3
555	G	51.9	Low	81.4	Confident	77 Å²	77	55.8 Å²	55.8	79%	0.794	35%	0.351	S	S	*	.	S	Bend	trans	85.3	31.2	173.3	0	0	0	0	0	117	S553	S553-G555 VanDerWaalsContact C-N 3.31Å; S553-G555 PolarHBondContact O-N 3.18Å; S553-G555 VanDerWaalsContact O-N 3.1Å
556	A	53.5	Low	81.3	Confident	45 Å²	45	53 Å²	53	37%	0.372	34%	0.34	S	S	.	.			trans	-62.8	143	168	0	0	0	0	0	110.9	M550 S553	M550-A556 HydrophobicContact SD-CB 4.48Å; S553-A556 WeakPolarHBondContact OG-CB 3.45Å; S553-A556 PolarHBondContact OG-N 3.1Å; S553-A556 VanDerWaalsContact OG-N 3.09Å
557	P	55.9	Low	81.4	Confident	114 Å²	114	52.9 Å²	52.9	74%	0.74	34%	0.339	S	S	*	.			trans	-61.4	142.8	179.1	23.2	-31.4	0	0	0	111.5	T559	P557-T559 PolarHBondContact O-N 3.45Å
558	D	67.3	Low	81.5	Confident	117 Å²	117	51.3 Å²	51.3	63%	0.626	33%	0.333	S	S	*	.			trans	-56.7	107.3	174.9	-169.8	-10.6	0	0	0	108.8	G560 K585	D558-G560 PolarHBondContact O-N 3.05Å; D558-G560 VanDerWaalsContact O-N 3.1Å; D558-G560 PolarHBondContact OD1-N 2.98Å; D558-K585 IonicContact OD2-NZ 3.54Å; D558-K585 PolarHBondContact OD2-NZ 2.9Å
559	T	76.6	Confident	81.7	Confident	54 Å²	54	50.3 Å²	50.3	33%	0.331	33%	0.328	S	S	.	.			trans	-62.2	-14.2	179.1	56	0	0	0	0	112.8	H548 M550 P557 Y561	H548-T559 PolarHBondContact ND1-OG1 3.39Å; H548-T559 VanDerWaalsContact ND1-OG1 3.16Å; M550-T559 HydrophobicContact CE-CG2 4.5Å; P557-T559 PolarHBondContact O-N 3.45Å; T559-Y561 PolarHBondContact O-N 3Å
560	G	85.3	Confident	81.9	Confident	53 Å²	53	50.9 Å²	50.9	55%	0.546	33%	0.331	S	S	.	.			trans	70	8.9	-175.1	0	0	0	0	0	113.5	D558	D558-G560 PolarHBondContact O-N 3.05Å; D558-G560 VanDerWaalsContact O-N 3.1Å; D558-G560 PolarHBondContact OD1-N 2.98Å
561	Y	92.5	Very high	82.2	Confident	62 Å²	62	50 Å²	50	24%	0.243	33%	0.327	C	S	.	.			trans	-64.1	136.2	179.9	-69	-0.4	0	0	0	110.9	Q527 R528 H548 T559 W563	Q527-Y561 HydrophobicContact CB-CD2 4.43Å; Q527-Y561 HydrophobicContact CB-CE2 4.3Å; R528-Y561 HydrophobicContact CG-CE2 4Å; R528-Y561 WeakPolarHBondContact O-CE2 3.4Å; H548-Y561 AromaticContact CE1-CD2 3.6Å; H548-Y561 AromaticContact CE1-CE2 3.54Å; H548-Y561 AromaticContact CG-CD2 3.91Å; H548-Y561 AromaticContact ND1-CD2 3.35Å; H548-Y561 VanDerWaalsContact ND1-CD2 3.35Å; H548-Y561 WeakPolarHBondContact ND1-CD2 3.46Å; H548-Y561 AromaticContact ND1-CE2 3.7Å; T559-Y561 PolarHBondContact O-N 3Å; Y561-W563 VanDerWaalsContact CB-CH2 3.42Å; Y561-W563 VanDerWaalsContact CB-CZ3 3.45Å; Y561-W563 AromaticContact CD2-CH2 3.65Å; Y561-W563 HydrophobicContact CD2-CH2 3.65Å; Y561-W563 AromaticContact CD2-CZ2 3.98Å; Y561-W563 HydrophobicContact CD2-CZ2 3.98Å; Y561-W563 HydrophobicContact CG-CH2 4.04Å
562	L	96.4	Very high	82.7	Confident	70 Å²	70	49 Å²	49	37%	0.366	33%	0.327	S	S	.	.			trans	-136.6	139.4	174.5	-73.8	175.2	0	0	0	108.3	Q527 Q546 K585	Q527-L562 PolarHBondContact NE2-O 3.47Å; Q546-L562 HydrophobicContact CG-CD2 4.02Å; L562-K585 HydrophobicContact CD2-CB 3.95Å; L562-K585 HydrophobicContact CD2-CG 4.41Å
563	W	97.9	Very high	84	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	31%	0.313	C	S	.	.			trans	-117.2	151.1	176	-67.7	-101.3	0	0	0	109.7	T523 W524 Q527 P531 Q546 H548 Y561 V565 L582	T523-W563 PolarHBondContact O-NE1 3.38Å; T523-W563 VanDerWaalsContact O-NE1 3.08Å; W524-W563 AromaticContact CD2-CD1 3.61Å; W524-W563 AromaticContact CE2-CD1 3.8Å; W524-W563 AromaticContact CE3-CD1 3.5Å; W524-W563 AromaticContact CE3-NE1 3.86Å; W524-W563 HydrophobicContact CH2-CB 4.3Å; W524-W563 AromaticContact CH2-CD1 3.86Å; W524-W563 HydrophobicContact CH2-CG 4.2Å; W524-W563 HydrophobicContact CZ2-CB 3.94Å; W524-W563 AromaticContact CZ2-CD1 3.94Å; W524-W563 HydrophobicContact CZ2-CG 4.22Å; W524-W563 AromaticContact CZ3-CD1 3.63Å; W524-W563 HydrophobicContact CZ3-CG 4.35Å; W524-W563 AromaticContact CZ3-NE1 3.97Å; Q527-W563 HydrophobicContact CG-CZ2 4.16Å; Q527-W563 VanDerWaalsContact NE2-CG 3.27Å; P531-W563 HydrophobicContact CB-CD2 4.16Å; P531-W563 HydrophobicContact CB-CE3 3.73Å; P531-W563 HydrophobicContact CB-CZ3 4.11Å; P531-W563 HydrophobicContact CG-CB 4.26Å; P531-W563 HydrophobicContact CG-CD2 4.02Å; P531-W563 HydrophobicContact CG-CE3 4.12Å; P531-W563 HydrophobicContact CG-CG 4.11Å; Q546-W563 PolarHBondContact NE2-O 3.11Å; Q546-W563 PolarHBondContact OE1-O 3.38Å; H548-W563 HydrophobicContact CB-CH2 3.82Å; H548-W563 HydrophobicContact CB-CZ3 4.05Å; H548-W563 AromaticContact CD2-CH2 3.86Å; H548-W563 AromaticContact CG-CH2 3.83Å; Y561-W563 VanDerWaalsContact CB-CH2 3.42Å; Y561-W563 VanDerWaalsContact CB-CZ3 3.45Å; Y561-W563 AromaticContact CD2-CH2 3.65Å; Y561-W563 HydrophobicContact CD2-CH2 3.65Å; Y561-W563 AromaticContact CD2-CZ2 3.98Å; Y561-W563 HydrophobicContact CD2-CZ2 3.98Å; Y561-W563 HydrophobicContact CG-CH2 4.04Å; W563-V565 HydrophobicContact CB-CG2 3.58Å; W563-V565 PolarHBondContact O-N 2.78Å; W563-L582 VanDerWaalsContact O-O 3.14Å
564	H	97.6	Very high	85.7	Confident	39 Å²	39	50 Å²	50	18%	0.181	31%	0.307	C	S	.	.			trans	-86.5	99.4	161	-70.8	-171.7	0	0	0	107.8	T519 M520 T523 W524 P566 L581	T519-H564 VanDerWaalsContact CG2-CE1 3.48Å; T519-H564 WeakPolarHBondContact CG2-CE1 3.45Å; M520-H564 HydrophobicContact CB-CB 3.82Å; M520-H564 HydrophobicContact CG-CB 3.77Å; T523-H564 PolarHBondContact OG1-N 2.68Å; W524-H564 PolarHBondContact NE1-O 3.15Å; H564-P566 WeakPolarHBondContact O-CD 3.22Å; H564-L581 HydrophobicContact CB-CD1 4.39Å
565	V	98.2	Very high	87.9	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	114.2	-170.2	-165.4	0	0	0	0	110.5	W524 P531 I533 W563 L567 L582 Y608	W524-V565 HydrophobicContact CH2-CG1 4.48Å; W524-V565 HydrophobicContact CH2-CG2 4.44Å; W524-V565 HydrophobicContact CZ2-CB 4.39Å; W524-V565 HydrophobicContact CZ2-CG1 4.26Å; W524-V565 HydrophobicContact CZ2-CG2 4.07Å; P531-V565 HydrophobicContact CG-CG2 3.83Å; I533-V565 HydrophobicContact CD1-CG1 4.43Å; I533-V565 HydrophobicContact CD1-CG2 4.32Å; W563-V565 HydrophobicContact CB-CG2 3.58Å; W563-V565 PolarHBondContact O-N 2.78Å; V565-L567 VanDerWaalsContact C-N 3.29Å; V565-L567 HydrophobicContact CB-CD2 4.15Å; V565-L567 HydrophobicContact CG1-CD2 3.54Å; V565-L567 HydrophobicContact CG1-CG 4.3Å; V565-L567 PolarHBondContact O-N 3.15Å; V565-L582 HydrophobicContact CB-CB 4.39Å; V565-L582 PolarHBondContact N-O 3.45Å; V565-L582 PolarHBondContact O-N 2.93Å; V565-Y608 HydrophobicContact CG1-CD1 3.39Å; V565-Y608 HydrophobicContact CG1-CE1 3.68Å; V565-Y608 HydrophobicContact CG1-CG 3.91Å
566	P	97.5	Very high	89.9	Confident	12 Å²	12	50.9 Å²	50.9	8%	0.078	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	79.6	176.7	34.7	-36.2	0	0	0	109.3	M447 Y451 M520 H564 L581	M447-P566 HydrophobicContact CG-CG 3.53Å; M447-P566 HydrophobicContact SD-CG 3.78Å; Y451-P566 HydrophobicContact CD2-CB 3.67Å; Y451-P566 HydrophobicContact CE2-CB 4.4Å; Y451-P566 HydrophobicContact CG-CB 4.08Å; M520-P566 HydrophobicContact CE-CB 4.18Å; M520-P566 HydrophobicContact CE-CG 3.62Å; H564-P566 WeakPolarHBondContact O-CD 3.22Å; P566-L581 HydrophobicContact CB-CD1 4.35Å
567	L	98.2	Very high	92	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	139.9	-179.5	-55.7	177.2	0	0	0	110.7	I533 M544 V565 R579 F580 L582 F600 Y608	I533-L567 HydrophobicContact CD1-CD2 4.29Å; I533-L567 HydrophobicContact CG1-CD2 3.94Å; I533-L567 HydrophobicContact CG2-CD1 4.43Å; I533-L567 HydrophobicContact CG2-CD2 4.2Å; M544-L567 HydrophobicContact CG-CD1 4.23Å; M544-L567 HydrophobicContact SD-CD1 3.6Å; V565-L567 VanDerWaalsContact C-N 3.29Å; V565-L567 HydrophobicContact CB-CD2 4.15Å; V565-L567 HydrophobicContact CG1-CD2 3.54Å; V565-L567 HydrophobicContact CG1-CG 4.3Å; V565-L567 PolarHBondContact O-N 3.15Å; L567-R579 CarbonylContact O-C 3.56Å; L567-R579 WeakPolarHBondContact O-CA 3.38Å; L567-F580 WeakPolarHBondContact CA-O 3.39Å; L567-F580 HydrophobicContact CB-CB 4.37Å; L567-F580 WeakPolarHBondContact CB-O 3.42Å; L567-F580 HydrophobicContact CD1-CD1 4.22Å; L567-F580 PolarHBondContact N-O 2.9Å; L567-F580 PolarHBondContact O-N 2.85Å; L567-L582 HydrophobicContact CD1-CB 3.85Å; L567-L582 HydrophobicContact CD1-CD2 4.2Å; L567-L582 HydrophobicContact CG-CB 4.19Å; L567-F600 HydrophobicContact CB-CD1 4.21Å; L567-F600 HydrophobicContact CB-CE1 4.33Å; L567-F600 HydrophobicContact CD1-CD1 4.45Å; L567-F600 HydrophobicContact CD1-CE1 4.18Å; L567-Y608 WeakPolarHBondContact CA-OH 3.34Å; L567-Y608 HydrophobicContact CD2-CD2 4.27Å; L567-Y608 HydrophobicContact CD2-CE1 4.1Å; L567-Y608 HydrophobicContact CD2-CE2 3.68Å
568	T	98.4	Very high	93.9	Very high	15 Å²	15	49 Å²	49	9%	0.092	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	147.2	168.3	57.3	0	0	0	0	110.2	V577 H578 R579 F600 N601 V602 Y608	T568-V577 HydrophobicContact CG2-CG1 4.01Å; T568-H578 CarbonylContact C-O 3.16Å; T568-H578 WeakPolarHBondContact CA-O 3.48Å; T568-R579 HydrophobicContact CG2-CG 4.34Å; T568-F600 CarbonylContact O-C 3.53Å; T568-F600 WeakPolarHBondContact O-CA 3.49Å; T568-N601 PolarHBondContact O-N 3.45Å; T568-V602 PolarHBondContact OG1-N 2.69Å; T568-Y608 PolarHBondContact N-OH 3.36Å
569	F	98.5	Very high	95.3	Very high	12 Å²	12	48.6 Å²	48.6	5%	0.053	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	157.1	174.1	69.1	-87.6	0	0	0	113.9	T571 H578 L589 L591 I598 K599 F600	F569-T571 HydrophobicContact CD2-CG2 4.03Å; F569-T571 HydrophobicContact CE2-CG2 4.15Å; F569-H578 HydrophobicContact CD1-CB 3.84Å; F569-H578 HydrophobicContact CD2-CB 3.96Å; F569-H578 HydrophobicContact CE1-CB 3.43Å; F569-H578 VanDerWaalsContact CE1-CB 3.43Å; F569-H578 HydrophobicContact CE2-CB 3.57Å; F569-H578 AromaticContact CE2-CD2 3.89Å; F569-H578 AromaticContact CE2-CG 3.8Å; F569-H578 HydrophobicContact CG-CB 4.09Å; F569-H578 HydrophobicContact CZ-CB 3.29Å; F569-H578 AromaticContact CZ-CG 3.83Å; F569-H578 PolarHBondContact N-O 3.1Å; F569-H578 PolarHBondContact O-N 3.45Å; F569-L589 HydrophobicContact CD1-CD2 4.3Å; F569-L589 HydrophobicContact CE1-CD2 3.63Å; F569-L589 HydrophobicContact CZ-CD1 4.23Å; F569-L589 HydrophobicContact CZ-CD2 4Å; F569-L591 HydrophobicContact CE2-CD2 3.81Å; F569-L591 HydrophobicContact CZ-CD2 4.2Å; F569-I598 HydrophobicContact CB-CD1 4.47Å; F569-I598 HydrophobicContact CB-CG1 4.3Å; F569-I598 HydrophobicContact CD2-CD1 3.63Å; F569-I598 HydrophobicContact CD2-CG1 4.01Å; F569-I598 HydrophobicContact CE2-CD1 4.06Å; F569-I598 HydrophobicContact CG-CD1 4.15Å; F569-I598 HydrophobicContact CG-CG1 4.45Å; F569-K599 CarbonylContact C-O 3.55Å; F569-K599 WeakPolarHBondContact CA-O 3.39Å; F569-K599 WeakPolarHBondContact CB-O 3.48Å; F569-F600 HydrophobicContact CB-CD1 3.86Å; F569-F600 HydrophobicContact CB-CD2 4.1Å; F569-F600 HydrophobicContact CB-CE1 4.03Å; F569-F600 HydrophobicContact CB-CE2 4.26Å; F569-F600 HydrophobicContact CB-CG 3.9Å; F569-F600 HydrophobicContact CB-CZ 4.22Å; F569-F600 HydrophobicContact CD1-CD1 4.45Å; F569-F600 AromaticContact CD1-CE1 3.91Å; F569-F600 HydrophobicContact CD1-CE1 3.91Å; F569-F600 HydrophobicContact CD1-CZ 4.19Å; F569-F600 HydrophobicContact CG-CE1 4.22Å; F569-F600 HydrophobicContact CG-CZ 4.25Å
570	I	98.4	Very high	96.2	Very high	12 Å²	12	47.3 Å²	47.3	6%	0.062	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	163.9	168.3	54.9	171	0	0	0	109.5	D575 W597 K599 V602 V631	I570-D575 VanDerWaalsContact CG2-O 3.3Å; I570-D575 WeakPolarHBondContact CG2-O 3.33Å; I570-W597 HydrophobicContact CD1-CZ3 4.39Å; I570-W597 HydrophobicContact CG1-CZ3 4.2Å; I570-K599 HydrophobicContact CG1-CB 4.07Å; I570-K599 HydrophobicContact CG1-CG 4.43Å; I570-K599 PolarHBondContact N-O 3.41Å; I570-K599 PolarHBondContact O-N 2.9Å; I570-V602 HydrophobicContact CB-CG2 4.48Å; I570-V602 HydrophobicContact CG1-CG2 4.23Å; I570-V602 HydrophobicContact CG2-CG1 4.33Å; I570-V602 HydrophobicContact CG2-CG2 3.92Å; I570-V631 HydrophobicContact CD1-CG1 4.17Å
571	T	98	Very high	96.7	Very high	9 Å²	9	46.5 Å²	46.5	6%	0.055	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	168.1	-178.8	75.1	0	0	0	0	111.7	F569 K573 S574 L591 V595 W597 I598	F569-T571 HydrophobicContact CD2-CG2 4.03Å; F569-T571 HydrophobicContact CE2-CG2 4.15Å; T571-K573 PolarHBondContact O-N 2.89Å; T571-K573 PolarHBondContact OG1-N 3.43Å; T571-S574 PolarHBondContact N-O 3.01Å; T571-S574 CarbonylContact O-C 3.55Å; T571-S574 PolarHBondContact O-N 3.33Å; T571-S574 VanDerWaalsContact O-N 3.13Å; T571-S574 VanDerWaalsContact O-O 3.1Å; T571-S574 PolarHBondContact OG1-N 2.87Å; T571-L591 HydrophobicContact CG2-CD2 4.47Å; T571-V595 HydrophobicContact CG2-CG1 4.25Å; T571-V595 HydrophobicContact CG2-CG2 4.41Å; T571-W597 VanDerWaalsContact C-CH2 3.47Å; T571-W597 VanDerWaalsContact C-CZ3 3.41Å; T571-W597 WeakPolarHBondContact CA-O 3.48Å; T571-W597 WeakPolarHBondContact O-CH2 3.47Å; T571-I598 HydrophobicContact CG2-CB 4.39Å; T571-I598 HydrophobicContact CG2-CD1 4.19Å; T571-I598 HydrophobicContact CG2-CG1 4.08Å
572	S	96.8	Very high	96.9	Very high	33 Å²	33	43.6 Å²	43.6	23%	0.231	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-19.2	170.9	61.4	0	0	0	0	115.5	V595 E596 W597	S572-V595 WeakPolarHBondContact OG-CB 3.45Å; S572-E596 PolarHBondContact OG-N 3.47Å; S572-W597 VanDerWaalsContact CA-CE2 3.44Å; S572-W597 VanDerWaalsContact CA-CZ2 3.48Å; S572-W597 PolarHBondContact N-O 2.96Å; S572-W597 VanDerWaalsContact N-O 3.07Å
573	K	96.3	Very high	96.9	Very high	116 Å²	116	44.5 Å²	44.5	50%	0.504	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-14.6	-177.5	-60.6	-66.2	-176.4	-173.3	0	113.4	T571 E593 V595	T571-K573 PolarHBondContact O-N 2.89Å; T571-K573 PolarHBondContact OG1-N 3.43Å; K573-E593 HydrophobicContact CG-CG 4.36Å; K573-V595 HydrophobicContact CB-CG1 4.35Å; K573-V595 HydrophobicContact CG-CG1 3.93Å
574	S	95.6	Very high	96.8	Very high	32 Å²	32	47.7 Å²	47.7	22%	0.224	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	117.4	-172.9	172.3	0	0	0	0	110.7	T571 M576 H578	T571-S574 PolarHBondContact N-O 3.01Å; T571-S574 CarbonylContact O-C 3.55Å; T571-S574 PolarHBondContact O-N 3.33Å; T571-S574 VanDerWaalsContact O-N 3.13Å; T571-S574 VanDerWaalsContact O-O 3.1Å; T571-S574 PolarHBondContact OG1-N 2.87Å; S574-M576 PolarHBondContact OG-N 3.22Å; S574-H578 PolarHBondContact OG-NE2 3.43Å
575	D	94.1	Very high	96.7	Very high	146 Å²	146	50.2 Å²	50.2	78%	0.781	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	-11.2	170.4	61.9	-8.7	0	0	0	113.2	I570 V577	I570-D575 VanDerWaalsContact CG2-O 3.3Å; I570-D575 WeakPolarHBondContact CG2-O 3.33Å; D575-V577 PolarHBondContact O-N 2.81Å
576	M	95.7	Very high	96.7	Very high	127 Å²	127	54.5 Å²	54.5	63%	0.626	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.4	129.6	170.4	-179.6	-179.6	172.7	0	0	110.5	S574 H578	S574-M576 PolarHBondContact OG-N 3.22Å; M576-H578 PolarHBondContact O-CD2 2.97Å; M576-H578 PolarHBondContact O-N 2.97Å; M576-H578 VanDerWaalsContact O-N 3.07Å; M576-H578 PolarHBondContact O-NE2 3.44Å
577	V	96.7	Very high	96.7	Very high	58 Å²	58	56.9 Å²	56.9	35%	0.352	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	103.3	177.1	-175.6	0	0	0	0	110	T568 D575 V602	T568-V577 HydrophobicContact CG2-CG1 4.01Å; D575-V577 PolarHBondContact O-N 2.81Å; V577-V602 HydrophobicContact CG1-CB 4.41Å; V577-V602 HydrophobicContact CG1-CG2 4.28Å; V577-V602 HydrophobicContact CG2-CG1 4.09Å
578	H	96.4	Very high	96.6	Very high	61 Å²	61	59.9 Å²	59.9	28%	0.282	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	147.9	171.3	-63.2	-80.3	0	0	0	109.9	T568 F569 S574 M576	T568-H578 CarbonylContact C-O 3.16Å; T568-H578 WeakPolarHBondContact CA-O 3.48Å; F569-H578 HydrophobicContact CD1-CB 3.84Å; F569-H578 HydrophobicContact CD2-CB 3.96Å; F569-H578 HydrophobicContact CE1-CB 3.43Å; F569-H578 VanDerWaalsContact CE1-CB 3.43Å; F569-H578 HydrophobicContact CE2-CB 3.57Å; F569-H578 AromaticContact CE2-CD2 3.89Å; F569-H578 AromaticContact CE2-CG 3.8Å; F569-H578 HydrophobicContact CG-CB 4.09Å; F569-H578 HydrophobicContact CZ-CB 3.29Å; F569-H578 AromaticContact CZ-CG 3.83Å; F569-H578 PolarHBondContact N-O 3.1Å; F569-H578 PolarHBondContact O-N 3.45Å; S574-H578 PolarHBondContact OG-NE2 3.43Å; M576-H578 PolarHBondContact O-CD2 2.97Å; M576-H578 PolarHBondContact O-N 2.97Å; M576-H578 VanDerWaalsContact O-N 3.07Å; M576-H578 PolarHBondContact O-NE2 3.44Å
579	R	95.3	Very high	96.5	Very high	110 Å²	110	60 Å²	60	42%	0.415	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140.2	-175.4	-59.6	179.1	179.6	-94.7	6.2	110.1	E450 W510 L567 T568	E450-R579 VanDerWaalsContact O-CZ 3.29Å; E450-R579 PolarHBondContact O-NH1 3.34Å; E450-R579 PolarHBondContact O-NH2 3.37Å; W510-R579 WeakPolarHBondContact CH2-O 3.31Å; W510-R579 WeakPolarHBondContact CZ2-O 3.12Å; L567-R579 CarbonylContact O-C 3.56Å; L567-R579 WeakPolarHBondContact O-CA 3.38Å; T568-R579 HydrophobicContact CG2-CG 4.34Å
580	F	95.6	Very high	96.4	Very high	27 Å²	27	64.7 Å²	64.7	12%	0.118	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	123.2	176.5	-173.1	-81.2	0	0	0	111.7	W510 M544 L567 L582 D587 L589	W510-F580 VanDerWaalsContact CH2-CA 3.46Å; W510-F580 HydrophobicContact CH2-CB 4.02Å; W510-F580 AromaticContact CH2-CD2 3.68Å; W510-F580 HydrophobicContact CH2-CD2 3.68Å; W510-F580 HydrophobicContact CH2-CE2 4.43Å; W510-F580 HydrophobicContact CH2-CG 4.08Å; W510-F580 HydrophobicContact CZ2-CD2 4.33Å; M544-F580 HydrophobicContact CE-CD1 4.02Å; M544-F580 HydrophobicContact CE-CD2 4.4Å; M544-F580 HydrophobicContact CE-CE1 3.71Å; M544-F580 HydrophobicContact CE-CE2 4.12Å; M544-F580 HydrophobicContact CE-CG 4.37Å; M544-F580 HydrophobicContact CE-CZ 3.77Å; M544-F580 HydrophobicContact SD-CD1 3.82Å; M544-F580 HydrophobicContact SD-CE1 4.03Å; M544-F580 HydrophobicContact SD-CG 4.26Å; L567-F580 WeakPolarHBondContact CA-O 3.39Å; L567-F580 HydrophobicContact CB-CB 4.37Å; L567-F580 WeakPolarHBondContact CB-O 3.42Å; L567-F580 HydrophobicContact CD1-CD1 4.22Å; L567-F580 PolarHBondContact N-O 2.9Å; L567-F580 PolarHBondContact O-N 2.85Å; F580-L582 HydrophobicContact CD1-CB 4.35Å; F580-L582 HydrophobicContact CE1-CB 4.3Å; F580-L582 HydrophobicContact CE1-CD1 4.35Å; F580-L582 PolarHBondContact O-N 3.35Å; F580-D587 HydrophobicContact CE1-CB 4.07Å; F580-D587 HydrophobicContact CZ-CB 4Å; F580-D587 WeakPolarHBondContact CZ-OD2 3.37Å; F580-L589 HydrophobicContact CB-CD2 4.49Å; F580-L589 HydrophobicContact CD2-CB 4.05Å; F580-L589 HydrophobicContact CD2-CD2 4.24Å; F580-L589 HydrophobicContact CE2-CB 4.06Å; F580-L589 HydrophobicContact CG-CD2 4.4Å
581	L	96.6	Very high	96.3	Very high	36 Å²	36	64.5 Å²	64.5	19%	0.188	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	103.5	178.3	-176.4	66.5	0	0	0	110.5	Y451 M520 H564 P566 K583	Y451-L581 HydrophobicContact CE2-CD1 4.43Å; M520-L581 HydrophobicContact SD-CD1 4.33Å; H564-L581 HydrophobicContact CB-CD1 4.39Å; P566-L581 HydrophobicContact CB-CD1 4.35Å; L581-K583 HydrophobicContact CD2-CD 4.05Å; L581-K583 HydrophobicContact CD2-CG 4.01Å; L581-K583 HydrophobicContact CG-CG 3.94Å; L581-K583 PolarHBondContact O-N 2.97Å
582	L	97.2	Very high	96.1	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	104.6	176.2	-179	65.8	0	0	0	109.9	I533 M544 Q546 W563 V565 L567 F580 T584 D587	I533-L582 HydrophobicContact CD1-CD2 4.12Å; M544-L582 HydrophobicContact CB-CD1 4.48Å; M544-L582 HydrophobicContact CB-CD2 4.44Å; Q546-L582 HydrophobicContact CB-CD2 3.9Å; Q546-L582 HydrophobicContact CG-CD2 4.09Å; W563-L582 VanDerWaalsContact O-O 3.14Å; V565-L582 HydrophobicContact CB-CB 4.39Å; V565-L582 PolarHBondContact N-O 3.45Å; V565-L582 PolarHBondContact O-N 2.93Å; L567-L582 HydrophobicContact CD1-CB 3.85Å; L567-L582 HydrophobicContact CD1-CD2 4.2Å; L567-L582 HydrophobicContact CG-CB 4.19Å; F580-L582 HydrophobicContact CD1-CB 4.35Å; F580-L582 HydrophobicContact CE1-CB 4.3Å; F580-L582 HydrophobicContact CE1-CD1 4.35Å; F580-L582 PolarHBondContact O-N 3.35Å; L582-T584 WeakPolarHBondContact CD1-O 3.48Å; L582-D587 HydrophobicContact CD1-CB 3.52Å
583	K	95.5	Very high	96	Very high	90 Å²	90	72.3 Å²	72.3	39%	0.391	37%	0.372	S	S	.	.			trans	-96.8	-22.3	179.3	-62.2	-174.2	-72.8	-170.8	0	113.6	E513 L581	E513-K583 IonicContact OE2-NZ 2.69Å; E513-K583 PolarHBondContact OE2-NZ 2.97Å; L581-K583 HydrophobicContact CD2-CD 4.05Å; L581-K583 HydrophobicContact CD2-CG 4.01Å; L581-K583 HydrophobicContact CG-CG 3.94Å; L581-K583 PolarHBondContact O-N 2.97Å
584	T	96.1	Very high	95.9	Very high	67 Å²	67	73.1 Å²	73.1	41%	0.411	38%	0.378	S	S	.	.	S	Bend	trans	-109.3	168.6	-173.9	51.5	0	0	0	0	111.3	Q546 L582 T586	Q546-T584 PolarHBondContact NE2-O 3.26Å; L582-T584 WeakPolarHBondContact CD1-O 3.48Å; T584-T586 PolarHBondContact O-N 2.92Å; T584-T586 PolarHBondContact OG1-O 2.8Å
585	K	96.8	Very high	96	Very high	91 Å²	91	73 Å²	73	40%	0.396	38%	0.376	S	S	.	.	S	Bend	trans	-58.1	-36.8	176.3	-168.6	167.8	-171.5	161.8	0	112.4	K545 Q546 D558 L562	K545-K585 CarbonylContact C-O 3.6Å; K545-K585 WeakPolarHBondContact CA-O 3.44Å; Q546-K585 PolarHBondContact N-O 3.31Å; D558-K585 IonicContact OD2-NZ 3.54Å; D558-K585 PolarHBondContact OD2-NZ 2.9Å; L562-K585 HydrophobicContact CD2-CB 3.95Å; L562-K585 HydrophobicContact CD2-CG 4.41Å
586	T	97.4	Very high	96.1	Very high	90 Å²	90	72.8 Å²	72.8	55%	0.552	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.1	145.5	178.9	56.9	0	0	0	0	110.7	M544 K545 T584	M544-T586 CarbonylContact O-C 3.59Å; M544-T586 WeakPolarHBondContact O-CA 3.16Å; K545-T586 HydrophobicContact CB-CG2 4.05Å; K545-T586 HydrophobicContact CG-CG2 3.98Å; T584-T586 PolarHBondContact O-N 2.92Å; T584-T586 PolarHBondContact OG1-O 2.8Å
587	D	97.7	Very high	96.1	Very high	63 Å²	63	68.3 Å²	68.3	34%	0.337	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	173.5	172.2	-147.5	-26.2	0	0	0	110.6	M544 F580 L582	M544-D587 HydrophobicContact CE-CB 4.39Å; M544-D587 PolarHBondContact N-O 2.83Å; M544-D587 PolarHBondContact O-N 2.95Å; F580-D587 HydrophobicContact CE1-CB 4.07Å; F580-D587 HydrophobicContact CZ-CB 4Å; F580-D587 WeakPolarHBondContact CZ-OD2 3.37Å; L582-D587 HydrophobicContact CD1-CB 3.52Å
588	V	96.4	Very high	96.2	Very high	63 Å²	63	66 Å²	66	38%	0.382	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	135.5	179.2	63.1	0	0	0	0	110.8	N541 V542	N541-V588 HydrophobicContact CB-CG2 4.26Å; V542-V588 WeakPolarHBondContact O-CA 3.47Å
589	L	95.6	Very high	96.3	Very high	17 Å²	17	63.1 Å²	63.1	9%	0.089	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	151	167.5	70.2	83.2	0	0	0	109.8	V542 M544 F569 F580 L591 F600	V542-L589 HydrophobicContact CB-CD1 3.63Å; V542-L589 HydrophobicContact CB-CG 3.78Å; V542-L589 HydrophobicContact CG1-CD1 4.36Å; V542-L589 HydrophobicContact CG1-CG 4.26Å; V542-L589 HydrophobicContact CG2-CD1 3.82Å; V542-L589 PolarHBondContact N-O 3.28Å; V542-L589 PolarHBondContact O-N 3.23Å; M544-L589 HydrophobicContact CE-CB 3.87Å; M544-L589 HydrophobicContact CE-CD2 3.79Å; M544-L589 HydrophobicContact CE-CG 3.85Å; M544-L589 HydrophobicContact SD-CD2 3.79Å; M544-L589 HydrophobicContact SD-CG 4.44Å; F569-L589 HydrophobicContact CD1-CD2 4.3Å; F569-L589 HydrophobicContact CE1-CD2 3.63Å; F569-L589 HydrophobicContact CZ-CD1 4.23Å; F569-L589 HydrophobicContact CZ-CD2 4Å; F580-L589 HydrophobicContact CB-CD2 4.49Å; F580-L589 HydrophobicContact CD2-CB 4.05Å; F580-L589 HydrophobicContact CD2-CD2 4.24Å; F580-L589 HydrophobicContact CE2-CB 4.06Å; F580-L589 HydrophobicContact CG-CD2 4.4Å; L589-L591 HydrophobicContact CD1-CD2 3.68Å; L589-L591 HydrophobicContact CD1-CG 3.98Å; L589-F600 HydrophobicContact CD2-CZ 4.23Å
590	I	96.4	Very high	96.4	Very high	110 Å²	110	57.9 Å²	57.9	56%	0.564	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	117	178.7	-55.5	175.6	0	0	0	107.9	R540	R540-I590 HydrophobicContact CB-CG2 4.36Å
591	L	95.3	Very high	96.6	Very high	8 Å²	8	56.6 Å²	56.6	4%	0.042	29%	0.293	C	S	.	.			trans	-71.1	150.1	175.3	-65.1	176.4	0	0	0	111.1	R540 V542 F569 T571 L589 E593 V595 I598	R540-L591 HydrophobicContact CB-CB 4.41Å; R540-L591 WeakPolarHBondContact CD-O 3.49Å; R540-L591 PolarHBondContact NH1-O 3.22Å; R540-L591 PolarHBondContact O-N 3.08Å; V542-L591 HydrophobicContact CG2-CD1 3.65Å; V542-L591 HydrophobicContact CG2-CD2 4.47Å; V542-L591 HydrophobicContact CG2-CG 3.79Å; F569-L591 HydrophobicContact CE2-CD2 3.81Å; F569-L591 HydrophobicContact CZ-CD2 4.2Å; T571-L591 HydrophobicContact CG2-CD2 4.47Å; L589-L591 HydrophobicContact CD1-CD2 3.68Å; L589-L591 HydrophobicContact CD1-CG 3.98Å; L591-E593 VanDerWaalsContact CB-O 3.29Å; L591-E593 WeakPolarHBondContact CB-O 3.22Å; L591-E593 PolarHBondContact O-N 2.88Å; L591-V595 HydrophobicContact CD1-CG1 4.21Å; L591-V595 HydrophobicContact CD1-CG2 3.64Å; L591-I598 HydrophobicContact CD1-CD1 4.44Å; L591-I598 HydrophobicContact CD2-CD1 4.45Å
592	P	94.2	Very high	96.7	Very high	109 Å²	109	55.9 Å²	55.9	71%	0.708	29%	0.29	S	S	*	.	S	Bend	trans	-60.9	-38.1	176	23.9	-32.3	0	0	0	111.6	R540	R540-P592 PolarHBondContact NH1-O 3.18Å
593	E	94.4	Very high	96.7	Very high	98 Å²	98	56.4 Å²	56.4	46%	0.458	30%	0.295	S	S	.	.	S	Bend	trans	-140.9	166.6	-179.4	59.2	-173.7	94.2	0	0	111	K573 L591	K573-E593 HydrophobicContact CG-CG 4.36Å; L591-E593 VanDerWaalsContact CB-O 3.29Å; L591-E593 WeakPolarHBondContact CB-O 3.22Å; L591-E593 PolarHBondContact O-N 2.88Å
594	E	95.5	Very high	96.8	Very high	132 Å²	132	52.1 Å²	52.1	62%	0.617	28%	0.277	S	S	*	.			trans	-74.2	145.1	173.1	-64.4	-172.5	167.6	0	0	110.3	G539 R540	G539-E594 WeakPolarHBondContact CA-OE1 3.44Å; R540-E594 HydrophobicContact CG-CG 3.56Å
595	V	96.7	Very high	96.8	Very high	30 Å²	30	51.6 Å²	51.6	18%	0.182	27%	0.271	C	S	.	.			trans	-130.1	149.5	-172.7	-60.5	0	0	0	0	110.3	T571 S572 K573 L591 I598	T571-V595 HydrophobicContact CG2-CG1 4.25Å; T571-V595 HydrophobicContact CG2-CG2 4.41Å; S572-V595 WeakPolarHBondContact OG-CB 3.45Å; K573-V595 HydrophobicContact CB-CG1 4.35Å; K573-V595 HydrophobicContact CG-CG1 3.93Å; L591-V595 HydrophobicContact CD1-CG1 4.21Å; L591-V595 HydrophobicContact CD1-CG2 3.64Å; V595-I598 HydrophobicContact CG2-CB 4.48Å
596	E	95.7	Very high	96.9	Very high	141 Å²	141	47.5 Å²	47.5	66%	0.659	26%	0.255	S	S	*	.	S	Bend	trans	-73.8	-34.5	-179.7	-63.6	171.2	-157.5	0	0	112	S572 S619	S572-E596 PolarHBondContact OG-N 3.47Å; E596-S619 PolarHBondContact O-OG 3.07Å
597	W	97.1	Very high	96.9	Very high	33 Å²	33	43.2 Å²	43.2	13%	0.125	23%	0.229	C	C	.	.			trans	-150.2	156.3	174.7	55.3	-98.7	0	0	0	110.6	I570 T571 S572 K599 L620 L623 A630 V631	I570-W597 HydrophobicContact CD1-CZ3 4.39Å; I570-W597 HydrophobicContact CG1-CZ3 4.2Å; T571-W597 VanDerWaalsContact C-CH2 3.47Å; T571-W597 VanDerWaalsContact C-CZ3 3.41Å; T571-W597 WeakPolarHBondContact CA-O 3.48Å; T571-W597 WeakPolarHBondContact O-CH2 3.47Å; S572-W597 VanDerWaalsContact CA-CE2 3.44Å; S572-W597 VanDerWaalsContact CA-CZ2 3.48Å; S572-W597 PolarHBondContact N-O 2.96Å; S572-W597 VanDerWaalsContact N-O 3.07Å; W597-K599 HydrophobicContact CE3-CB 4.41Å; W597-K599 HydrophobicContact CZ3-CB 4.27Å; W597-L620 HydrophobicContact CB-CD2 4.45Å; W597-L623 HydrophobicContact CD2-CD2 3.8Å; W597-L623 HydrophobicContact CE3-CD2 4.28Å; W597-L623 HydrophobicContact CG-CD2 4.09Å; W597-L623 HydrophobicContact CZ2-CD1 4.44Å; W597-L623 HydrophobicContact CZ2-CD2 4.13Å; W597-A630 HydrophobicContact CZ2-CB 4.47Å; W597-V631 HydrophobicContact CH2-CG1 4.06Å; W597-V631 HydrophobicContact CZ3-CG1 4.2Å
598	I	98.1	Very high	97	Very high	9 Å²	9	40.2 Å²	40.2	5%	0.046	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	133.6	172.6	-176.6	162.1	0	0	0	108.5	V537 V542 F569 T571 L591 V595 F600 Y612	V537-I598 HydrophobicContact CG2-CG2 3.88Å; V542-I598 HydrophobicContact CG1-CD1 4.25Å; V542-I598 HydrophobicContact CG2-CD1 4.14Å; F569-I598 HydrophobicContact CB-CD1 4.47Å; F569-I598 HydrophobicContact CB-CG1 4.3Å; F569-I598 HydrophobicContact CD2-CD1 3.63Å; F569-I598 HydrophobicContact CD2-CG1 4.01Å; F569-I598 HydrophobicContact CE2-CD1 4.06Å; F569-I598 HydrophobicContact CG-CD1 4.15Å; F569-I598 HydrophobicContact CG-CG1 4.45Å; T571-I598 HydrophobicContact CG2-CB 4.39Å; T571-I598 HydrophobicContact CG2-CD1 4.19Å; T571-I598 HydrophobicContact CG2-CG1 4.08Å; L591-I598 HydrophobicContact CD1-CD1 4.44Å; L591-I598 HydrophobicContact CD2-CD1 4.45Å; V595-I598 HydrophobicContact CG2-CB 4.48Å; I598-F600 HydrophobicContact CD1-CD2 4.31Å; I598-F600 HydrophobicContact CD1-CE2 3.49Å; I598-F600 VanDerWaalsContact CD1-CE2 3.49Å; I598-F600 HydrophobicContact CD1-CZ 4.02Å; I598-F600 HydrophobicContact CG1-CD2 4.01Å; I598-F600 HydrophobicContact CG1-CE2 3.69Å; I598-F600 HydrophobicContact CG2-CE2 4.47Å; I598-Y612 VanDerWaalsContact O-CE1 3.31Å; I598-Y612 WeakPolarHBondContact O-CE1 3.48Å
599	K	98.5	Very high	97.1	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	116.6	178.6	169.2	57.7	170.8	61.1	0	109.2	F569 I570 W597 N601 D635 S638 L639	F569-K599 CarbonylContact C-O 3.55Å; F569-K599 WeakPolarHBondContact CA-O 3.39Å; F569-K599 WeakPolarHBondContact CB-O 3.48Å; I570-K599 HydrophobicContact CG1-CB 4.07Å; I570-K599 HydrophobicContact CG1-CG 4.43Å; I570-K599 PolarHBondContact N-O 3.41Å; I570-K599 PolarHBondContact O-N 2.9Å; W597-K599 HydrophobicContact CE3-CB 4.41Å; W597-K599 HydrophobicContact CZ3-CB 4.27Å; K599-N601 PolarHBondContact NZ-O 2.94Å; K599-D635 IonicContact NZ-OD1 3.36Å; K599-D635 PolarHBondContact NZ-OD1 3.23Å; K599-S638 VanDerWaalsContact CE-OG 3.26Å; K599-S638 WeakPolarHBondContact CE-OG 3.4Å; K599-S638 PolarHBondContact NZ-OG 2.86Å; K599-L639 HydrophobicContact CD-CD1 4.47Å; K599-L639 HydrophobicContact CD-CD2 3.89Å; K599-L639 HydrophobicContact CD-CG 4.24Å
600	F	98.7	Very high	97.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	163.6	173.1	-79.2	-101.6	0	0	0	112.3	I535 V542 M544 L567 T568 F569 L589 I598 V610 Y612	I535-F600 HydrophobicContact CB-CE2 4.5Å; I535-F600 HydrophobicContact CD1-CD1 4.21Å; I535-F600 HydrophobicContact CD1-CD2 3.83Å; I535-F600 HydrophobicContact CD1-CE1 4.01Å; I535-F600 HydrophobicContact CD1-CE2 3.6Å; I535-F600 HydrophobicContact CD1-CG 4.12Å; I535-F600 HydrophobicContact CD1-CZ 3.7Å; I535-F600 HydrophobicContact CG1-CD2 3.75Å; I535-F600 HydrophobicContact CG1-CE2 3.86Å; I535-F600 HydrophobicContact CG1-CG 4.27Å; I535-F600 HydrophobicContact CG1-CZ 4.46Å; I535-F600 HydrophobicContact CG2-CD2 4.31Å; I535-F600 HydrophobicContact CG2-CE2 3.82Å; V542-F600 HydrophobicContact CG1-CE2 3.99Å; V542-F600 HydrophobicContact CG1-CZ 3.88Å; M544-F600 HydrophobicContact CG-CE1 4.49Å; M544-F600 HydrophobicContact CG-CZ 4.38Å; M544-F600 HydrophobicContact SD-CE1 4.18Å; M544-F600 HydrophobicContact SD-CZ 4.33Å; L567-F600 HydrophobicContact CB-CD1 4.21Å; L567-F600 HydrophobicContact CB-CE1 4.33Å; L567-F600 HydrophobicContact CD1-CD1 4.45Å; L567-F600 HydrophobicContact CD1-CE1 4.18Å; T568-F600 CarbonylContact O-C 3.53Å; T568-F600 WeakPolarHBondContact O-CA 3.49Å; F569-F600 HydrophobicContact CB-CD1 3.86Å; F569-F600 HydrophobicContact CB-CD2 4.1Å; F569-F600 HydrophobicContact CB-CE1 4.03Å; F569-F600 HydrophobicContact CB-CE2 4.26Å; F569-F600 HydrophobicContact CB-CG 3.9Å; F569-F600 HydrophobicContact CB-CZ 4.22Å; F569-F600 HydrophobicContact CD1-CD1 4.45Å; F569-F600 AromaticContact CD1-CE1 3.91Å; F569-F600 HydrophobicContact CD1-CE1 3.91Å; F569-F600 HydrophobicContact CD1-CZ 4.19Å; F569-F600 HydrophobicContact CG-CE1 4.22Å; F569-F600 HydrophobicContact CG-CZ 4.25Å; L589-F600 HydrophobicContact CD2-CZ 4.23Å; I598-F600 HydrophobicContact CD1-CD2 4.31Å; I598-F600 HydrophobicContact CD1-CE2 3.49Å; I598-F600 VanDerWaalsContact CD1-CE2 3.49Å; I598-F600 HydrophobicContact CD1-CZ 4.02Å; I598-F600 HydrophobicContact CG1-CD2 4.01Å; I598-F600 HydrophobicContact CG1-CE2 3.69Å; I598-F600 HydrophobicContact CG2-CE2 4.47Å; F600-V610 HydrophobicContact CB-CG1 4.07Å; F600-V610 HydrophobicContact CB-CG2 3.89Å; F600-Y612 HydrophobicContact CD2-CE1 4.26Å; F600-Y612 PolarHBondContact N-OH 3.35Å
601	N	98.4	Very high	97.3	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.168	C	C	.	.	S	Bend	trans	58.3	66	-176.1	-160.6	-8.3	0	0	0	111.5	T568 K599 G603 M604 N605 G606 Y608 V610	T568-N601 PolarHBondContact O-N 3.45Å; K599-N601 PolarHBondContact NZ-O 2.94Å; N601-G603 PolarHBondContact O-N 3.49Å; N601-M604 PolarHBondContact ND2-SD 3.06Å; N601-M604 VanDerWaalsContact ND2-SD 3.35Å; N601-M604 PolarHBondContact O-N 3.26Å; N601-M604 VanDerWaalsContact O-N 3.17Å; N601-M604 WeakPolarHBondContact OD1-CA 3.47Å; N601-N605 PolarHBondContact OD1-N 2.67Å; N601-N605 VanDerWaalsContact OD1-N 3.15Å; N601-G606 PolarHBondContact ND2-O 3.29Å; N601-G606 PolarHBondContact OD1-N 3.12Å; N601-Y608 WeakPolarHBondContact CA-OH 3.22Å; N601-Y608 HydrophobicContact CB-CD2 4.4Å; N601-Y608 HydrophobicContact CB-CE2 3.58Å; N601-Y608 PolarHBondContact N-OH 3.43Å; N601-Y608 PolarHBondContact ND2-O 2.85Å; N601-V610 HydrophobicContact CB-CG2 4.19Å
602	V	98.5	Very high	97.5	Very high	20 Å²	20	32.1 Å²	32.1	12%	0.121	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-64.4	122	-174.6	-173.9	0	0	0	0	109.8	T568 I570 V577 M604 N605 D635	T568-V602 PolarHBondContact OG1-N 2.69Å; I570-V602 HydrophobicContact CB-CG2 4.48Å; I570-V602 HydrophobicContact CG1-CG2 4.23Å; I570-V602 HydrophobicContact CG2-CG1 4.33Å; I570-V602 HydrophobicContact CG2-CG2 3.92Å; V577-V602 HydrophobicContact CG1-CB 4.41Å; V577-V602 HydrophobicContact CG1-CG2 4.28Å; V577-V602 HydrophobicContact CG2-CG1 4.09Å; V602-M604 PolarHBondContact O-N 3.36Å; V602-N605 PolarHBondContact O-ND2 2.66Å; V602-D635 WeakPolarHBondContact CA-OD1 3.29Å
603	G	96.8	Very high	97.6	Very high	11 Å²	11	30.6 Å²	30.6	11%	0.113	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	68.8	11.5	-178.6	0	0	0	0	0	115.3	N601 N605 D635	N601-G603 PolarHBondContact O-N 3.49Å; G603-N605 VanDerWaalsContact C-N 3.31Å; G603-N605 PolarHBondContact O-N 2.99Å; G603-D635 PolarHBondContact N-OD1 2.84Å
604	M	97.9	Very high	97.6	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	60	36.2	-175.5	-166.3	56.1	-155.4	0	0	113.5	F401 F405 M408 N601 V602	F401-M604 HydrophobicContact CB-CB 3.81Å; F401-M604 HydrophobicContact CB-CG 3.83Å; F401-M604 HydrophobicContact CD2-CG 4.38Å; F401-M604 HydrophobicContact CG-CB 4.25Å; F401-M604 HydrophobicContact CG-CG 4.41Å; F405-M604 HydrophobicContact CD1-CE 4.1Å; F405-M604 HydrophobicContact CE1-CE 3.57Å; F405-M604 HydrophobicContact CE1-CG 3.73Å; F405-M604 HydrophobicContact CE1-SD 3.72Å; F405-M604 HydrophobicContact CZ-CG 3.8Å; F405-M604 HydrophobicContact CZ-SD 4.18Å; M408-M604 HydrophobicContact CE-CE 3.49Å; M408-M604 VanDerWaalsContact CE-CE 3.49Å; M408-M604 HydrophobicContact SD-CE 3.91Å; N601-M604 PolarHBondContact ND2-SD 3.06Å; N601-M604 VanDerWaalsContact ND2-SD 3.35Å; N601-M604 PolarHBondContact O-N 3.26Å; N601-M604 VanDerWaalsContact O-N 3.17Å; N601-M604 WeakPolarHBondContact OD1-CA 3.47Å; V602-M604 PolarHBondContact O-N 3.36Å
605	N	97.2	Very high	97.5	Very high	55 Å²	55	30.2 Å²	30.2	29%	0.294	16%	0.156	S	C	.	.			trans	-81.5	-17.7	179.7	-74.1	-64.4	0	0	0	114.1	N446 M447 E450 N601 V602 G603	N446-N605 PolarHBondContact ND2-OD1 3.34Å; M447-N605 WeakPolarHBondContact CA-O 3.48Å; M447-N605 WeakPolarHBondContact CB-O 3.37Å; E450-N605 HydrophobicContact CG-CB 4.18Å; N601-N605 PolarHBondContact OD1-N 2.67Å; N601-N605 VanDerWaalsContact OD1-N 3.15Å; V602-N605 PolarHBondContact O-ND2 2.66Å; G603-N605 VanDerWaalsContact C-N 3.31Å; G603-N605 PolarHBondContact O-N 2.99Å
606	G	98.1	Very high	97.5	Very high	5 Å²	5	29.6 Å²	29.6	5%	0.052	16%	0.155	C	C	.	.	S	Bend	trans	-95.6	141.2	176.5	0	0	0	0	0	112.5	N601 Y608	N601-G606 PolarHBondContact ND2-O 3.29Å; N601-G606 PolarHBondContact OD1-N 3.12Å; G606-Y608 PolarHBondContact O-N 3.17Å
607	Y	98.6	Very high	97.6	Very high	1 Å²	1	23.4 Å²	23.4	0%	0.004	13%	0.126	C	C	.	.	S	Bend	trans	-83	61.4	177.6	-162.3	-104.2	0	0	0	111.7	C404 A407 M408 D411 K440 C443 I444 W524 F530	C404-Y607 HydrophobicContact CB-CD2 4.18Å; C404-Y607 HydrophobicContact CB-CE2 4.3Å; A407-Y607 HydrophobicContact CB-CE2 4.12Å; A407-Y607 WeakPolarHBondContact CB-OH 3.44Å; A407-Y607 PolarHBondContact O-OH 3.37Å; M408-Y607 HydrophobicContact CE-CD2 3.84Å; M408-Y607 HydrophobicContact CE-CE2 4.06Å; M408-Y607 HydrophobicContact CE-CG 4.1Å; M408-Y607 HydrophobicContact CG-CE2 3.89Å; M408-Y607 PolarHBondContact N-OH 3.3Å; D411-Y607 PolarHBondContact OD2-OH 3.4Å; K440-Y607 HydrophobicContact CB-CE2 4.34Å; K440-Y607 HydrophobicContact CD-CE1 3.66Å; K440-Y607 HydrophobicContact CG-CD1 4.3Å; K440-Y607 HydrophobicContact CG-CE1 3.71Å; K440-Y607 HydrophobicContact CG-CE2 4.26Å; C443-Y607 HydrophobicContact CB-CD2 3.62Å; C443-Y607 HydrophobicContact CB-CE2 4.16Å; C443-Y607 HydrophobicContact CB-CG 4.45Å; I444-Y607 HydrophobicContact CG2-CD1 4.41Å; I444-Y607 HydrophobicContact CG2-CG 4.31Å; W524-Y607 HydrophobicContact CE3-CD1 4.46Å; W524-Y607 WeakPolarHBondContact CH2-O 3.15Å; W524-Y607 HydrophobicContact CZ3-CD1 4.11Å; W524-Y607 VanDerWaalsContact CZ3-O 3.24Å; W524-Y607 WeakPolarHBondContact CZ3-O 3.2Å; F530-Y607 HydrophobicContact CB-CD1 3.8Å; F530-Y607 HydrophobicContact CB-CE1 3.78Å; F530-Y607 HydrophobicContact CD1-CE1 4.09Å; F530-Y607 HydrophobicContact CG-CE1 4.24Å
608	Y	98.6	Very high	97.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.			trans	-155.1	155	179	62.1	-93.9	0	0	0	110.8	P531 I533 V565 L567 T568 N601 G606 V610	P531-Y608 WeakPolarHBondContact O-CB 3.24Å; I533-Y608 HydrophobicContact CB-CD2 4.36Å; I533-Y608 HydrophobicContact CG1-CD2 3.53Å; I533-Y608 HydrophobicContact CG1-CE2 4.14Å; I533-Y608 HydrophobicContact CG1-CG 4.09Å; V565-Y608 HydrophobicContact CG1-CD1 3.39Å; V565-Y608 HydrophobicContact CG1-CE1 3.68Å; V565-Y608 HydrophobicContact CG1-CG 3.91Å; L567-Y608 WeakPolarHBondContact CA-OH 3.34Å; L567-Y608 HydrophobicContact CD2-CD2 4.27Å; L567-Y608 HydrophobicContact CD2-CE1 4.1Å; L567-Y608 HydrophobicContact CD2-CE2 3.68Å; T568-Y608 PolarHBondContact N-OH 3.36Å; N601-Y608 WeakPolarHBondContact CA-OH 3.22Å; N601-Y608 HydrophobicContact CB-CD2 4.4Å; N601-Y608 HydrophobicContact CB-CE2 3.58Å; N601-Y608 PolarHBondContact N-OH 3.43Å; N601-Y608 PolarHBondContact ND2-O 2.85Å; G606-Y608 PolarHBondContact O-N 3.17Å; Y608-V610 HydrophobicContact CD2-CG2 4.01Å; Y608-V610 HydrophobicContact CE2-CG2 3.8Å
609	I	98.4	Very high	97.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	159.9	175.3	67.7	166.5	0	0	0	111	M408 F530 P531 L532 I533 Y549 N642 Q645 L646	M408-I609 HydrophobicContact CE-CG2 4.33Å; M408-I609 HydrophobicContact SD-CG2 3.86Å; F530-I609 HydrophobicContact CD2-CG2 4.42Å; F530-I609 HydrophobicContact CE2-CB 4.46Å; F530-I609 HydrophobicContact CE2-CD1 4.26Å; F530-I609 HydrophobicContact CE2-CG1 4.02Å; F530-I609 HydrophobicContact CE2-CG2 3.76Å; P531-I609 PolarHBondContact O-N 2.9Å; L532-I609 HydrophobicContact CB-CG1 4.28Å; L532-I609 HydrophobicContact CD1-CD1 3.97Å; L532-I609 HydrophobicContact CD1-CG1 3.76Å; I533-I609 PolarHBondContact N-O 3.07Å; Y549-I609 HydrophobicContact CD1-CD1 4.41Å; Y549-I609 HydrophobicContact CD2-CD1 3.28Å; Y549-I609 HydrophobicContact CD2-CG1 4.26Å; Y549-I609 HydrophobicContact CE2-CD1 3.43Å; Y549-I609 VanDerWaalsContact CE2-CD1 3.43Å; Y549-I609 HydrophobicContact CG-CD1 3.81Å; Y549-I609 HydrophobicContact CG-CG1 4.47Å; I609-N642 WeakPolarHBondContact CG2-OD1 2.98Å; I609-Q645 HydrophobicContact CD1-CB 4.26Å; I609-L646 HydrophobicContact CD1-CD2 4.48Å
610	V	98.8	Very high	97.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.1	-174.4	-169.2	0	0	0	0	111.3	I533 I535 F600 N601 Y608 Y612 N642	I533-V610 CarbonylContact O-C 3.56Å; I533-V610 WeakPolarHBondContact O-CA 2.96Å; I535-V610 HydrophobicContact CG1-CG1 3.69Å; F600-V610 HydrophobicContact CB-CG1 4.07Å; F600-V610 HydrophobicContact CB-CG2 3.89Å; N601-V610 HydrophobicContact CB-CG2 4.19Å; Y608-V610 HydrophobicContact CD2-CG2 4.01Å; Y608-V610 HydrophobicContact CE2-CG2 3.8Å; V610-Y612 HydrophobicContact CB-CE2 4.16Å; V610-Y612 HydrophobicContact CG1-CD2 4.35Å; V610-Y612 HydrophobicContact CG1-CE1 3.95Å; V610-Y612 HydrophobicContact CG1-CE2 3.75Å; V610-N642 PolarHBondContact N-ND2 3.3Å
611	H	98.6	Very high	97.6	Very high	18 Å²	18	27.2 Å²	27.2	8%	0.083	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.3	168.1	174.6	63	0	0	0	110.1	L532 I533 T534 I535 W617 L646 K651	L532-H611 HydrophobicContact CD1-CB 3.78Å; I533-H611 PolarHBondContact O-N 3.27Å; T534-H611 CarbonylContact C-O 3.5Å; T534-H611 WeakPolarHBondContact CA-O 3.42Å; I535-H611 PolarHBondContact N-O 2.79Å; H611-W617 AromaticContact ND1-CD1 3.97Å; H611-W617 AromaticContact ND1-NE1 3.38Å; H611-W617 PolarHBondContact ND1-NE1 3.02Å; H611-L646 HydrophobicContact CB-CD1 3.89Å; H611-L646 HydrophobicContact CB-CD2 3.81Å; H611-K651 PolarHBondContact CE1-O 3.48Å
612	Y	98.4	Very high	97.5	Very high	9 Å²	9	29.2 Å²	29.2	4%	0.035	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	121.4	175.2	-54.8	-91.2	0	0	0	108.7	I535 I598 F600 V610 W617 L620 L639	I535-Y612 HydrophobicContact CB-CD1 4Å; I535-Y612 HydrophobicContact CB-CE1 4.4Å; I535-Y612 HydrophobicContact CG1-CD1 4.41Å; I535-Y612 HydrophobicContact CG1-CE1 4.35Å; I535-Y612 HydrophobicContact CG2-CD1 4.24Å; I598-Y612 VanDerWaalsContact O-CE1 3.31Å; I598-Y612 WeakPolarHBondContact O-CE1 3.48Å; F600-Y612 HydrophobicContact CD2-CE1 4.26Å; F600-Y612 PolarHBondContact N-OH 3.35Å; V610-Y612 HydrophobicContact CB-CE2 4.16Å; V610-Y612 HydrophobicContact CG1-CD2 4.35Å; V610-Y612 HydrophobicContact CG1-CE1 3.95Å; V610-Y612 HydrophobicContact CG1-CE2 3.75Å; Y612-W617 HydrophobicContact CD2-CD2 4.5Å; Y612-W617 HydrophobicContact CD2-CZ2 4.12Å; Y612-L620 HydrophobicContact CD1-CD1 4.24Å; Y612-L620 HydrophobicContact CD2-CD1 3.48Å; Y612-L620 VanDerWaalsContact CD2-CD1 3.48Å; Y612-L620 HydrophobicContact CE1-CD1 4.18Å; Y612-L620 HydrophobicContact CE2-CD1 3.42Å; Y612-L620 VanDerWaalsContact CE2-CD1 3.42Å; Y612-L620 HydrophobicContact CG-CD1 3.92Å; Y612-L639 HydrophobicContact CE2-CD2 4.35Å
613	E	95.6	Very high	97.5	Very high	77 Å²	77	29.2 Å²	29.2	36%	0.36	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	173.9	175.9	-72.7	-172.6	160	0	0	111.9	T534 I535 T536 D615 G616	T534-E613 HydrophobicContact CG2-CG 3.65Å; I535-E613 PolarHBondContact O-N 3.01Å; T536-E613 HydrophobicContact CG2-CB 4.44Å; T536-E613 PolarHBondContact OG1-OE2 3.15Å; E613-D615 PolarHBondContact O-N 3.46Å; E613-G616 PolarHBondContact O-N 3.09Å; E613-G616 VanDerWaalsContact O-N 3.08Å
614	D	95.1	Very high	97.5	Very high	106 Å²	106	28.9 Å²	28.9	57%	0.567	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	-124.4	177.8	-53.5	-60.8	0	0	0	112.5	R538 G616	R538-D614 IonicContact CZ-OD2 3.93Å; R538-D614 IonicContact NH1-OD2 3.74Å; R538-D614 PolarHBondContact NH1-OD2 3.05Å; R538-D614 IonicContact NH2-OD1 2.72Å; R538-D614 IonicContact NH2-OD2 2.6Å; R538-D614 PolarHBondContact NH2-OD2 3.11Å; D614-G616 VanDerWaalsContact C-N 3.33Å
615	D	94.3	Very high	97.5	Very high	117 Å²	117	32.7 Å²	32.7	63%	0.626	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	7.2	179.8	64.5	-22	0	0	0	113.3	E613 W617 D618 S619	E613-D615 PolarHBondContact O-N 3.46Å; D615-W617 PolarHBondContact O-N 3.17Å; D615-D618 PolarHBondContact O-N 3.37Å; D615-D618 VanDerWaalsContact O-N 3.08Å; D615-S619 WeakPolarHBondContact O-CB 3.37Å; D615-S619 PolarHBondContact O-N 2.97Å
616	G	96.3	Very high	97.4	Very high	16 Å²	16	32.9 Å²	32.9	17%	0.165	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-44.1	-174.2	0	0	0	0	0	114.1	E613 D614 D618 S619 L620	E613-G616 PolarHBondContact O-N 3.09Å; E613-G616 VanDerWaalsContact O-N 3.08Å; D614-G616 VanDerWaalsContact C-N 3.33Å; G616-D618 VanDerWaalsContact C-N 3.33Å; G616-S619 PolarHBondContact O-N 3.23Å; G616-L620 WeakPolarHBondContact O-CG 3.15Å; G616-L620 PolarHBondContact O-N 3.5Å
617	W	98.1	Very high	97.3	Very high	11 Å²	11	36.6 Å²	36.6	4%	0.042	22%	0.221	C	C	.	.	H	α-helix	trans	-67.9	-32	174.6	-82.8	106.1	0	0	0	113	H611 Y612 D615 T621 L639 N642 A643 L646 L652 L660	H611-W617 AromaticContact ND1-CD1 3.97Å; H611-W617 AromaticContact ND1-NE1 3.38Å; H611-W617 PolarHBondContact ND1-NE1 3.02Å; Y612-W617 HydrophobicContact CD2-CD2 4.5Å; Y612-W617 HydrophobicContact CD2-CZ2 4.12Å; D615-W617 PolarHBondContact O-N 3.17Å; W617-T621 VanDerWaalsContact O-CB 3.25Å; W617-T621 WeakPolarHBondContact O-CB 3.39Å; W617-T621 PolarHBondContact O-N 3.27Å; W617-T621 PolarHBondContact O-OG1 3.01Å; W617-L639 HydrophobicContact CH2-CD2 4.4Å; W617-L639 HydrophobicContact CZ3-CD2 4.29Å; W617-N642 HydrophobicContact CH2-CB 4.09Å; W617-N642 HydrophobicContact CZ2-CB 4.46Å; W617-A643 HydrophobicContact CH2-CB 3.92Å; W617-A643 HydrophobicContact CZ3-CB 3.79Å; W617-L646 HydrophobicContact CH2-CD1 4.36Å; W617-L646 HydrophobicContact CZ2-CD1 3.33Å; W617-L652 HydrophobicContact CB-CD1 4.31Å; W617-L652 HydrophobicContact CD2-CD2 4.15Å; W617-L652 HydrophobicContact CE3-CD2 4.41Å; W617-L652 HydrophobicContact CG-CD1 3.99Å; W617-L652 HydrophobicContact CG-CD2 4.47Å; W617-L660 HydrophobicContact CE3-CD1 3.89Å; W617-L660 HydrophobicContact CZ3-CD1 3.72Å
618	D	97.6	Very high	97.2	Very high	74 Å²	74	38 Å²	38	40%	0.396	23%	0.228	S	C	.	.	H	α-helix	trans	-72.3	-40	178.2	-72.7	-10.9	0	0	0	111	D615 G616 T621 G622 K656	D615-D618 PolarHBondContact O-N 3.37Å; D615-D618 VanDerWaalsContact O-N 3.08Å; G616-D618 VanDerWaalsContact C-N 3.33Å; D618-T621 PolarHBondContact O-N 3.35Å; D618-G622 PolarHBondContact O-N 2.78Å; D618-K656 WeakPolarHBondContact OD1-CE 3.31Å; D618-K656 IonicContact OD1-NZ 2.63Å; D618-K656 PolarHBondContact OD1-NZ 2.98Å; D618-K656 IonicContact OD2-NZ 3.46Å; D618-K656 PolarHBondContact OD2-NZ 3.3Å
619	S	97.3	Very high	97.1	Very high	38 Å²	38	42.9 Å²	42.9	27%	0.266	26%	0.258	S	S	.	.	H	α-helix	trans	-60.2	-48.6	172	-178.2	0	0	0	0	111.5	E596 D615 G616 T621 G622 L623	E596-S619 PolarHBondContact O-OG 3.07Å; D615-S619 WeakPolarHBondContact O-CB 3.37Å; D615-S619 PolarHBondContact O-N 2.97Å; G616-S619 PolarHBondContact O-N 3.23Å; S619-T621 PolarHBondContact O-N 2.8Å; S619-G622 PolarHBondContact O-N 3.31Å; S619-L623 PolarHBondContact O-N 3.09Å
620	L	98.1	Very high	97	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-67.3	-36.1	177.9	-69.3	169.4	0	0	0	112.8	W597 Y612 G616 L623 L624 L639	W597-L620 HydrophobicContact CB-CD2 4.45Å; Y612-L620 HydrophobicContact CD1-CD1 4.24Å; Y612-L620 HydrophobicContact CD2-CD1 3.48Å; Y612-L620 VanDerWaalsContact CD2-CD1 3.48Å; Y612-L620 HydrophobicContact CE1-CD1 4.18Å; Y612-L620 HydrophobicContact CE2-CD1 3.42Å; Y612-L620 VanDerWaalsContact CE2-CD1 3.42Å; Y612-L620 HydrophobicContact CG-CD1 3.92Å; G616-L620 WeakPolarHBondContact O-CG 3.15Å; G616-L620 PolarHBondContact O-N 3.5Å; L620-L623 HydrophobicContact CD2-CD2 4.36Å; L620-L623 WeakPolarHBondContact O-CB 3.26Å; L620-L623 PolarHBondContact O-N 3.07Å; L620-L624 WeakPolarHBondContact O-CG 3.44Å; L620-L624 PolarHBondContact O-N 3Å; L620-L639 HydrophobicContact CD1-CD2 3.91Å
621	T	98.2	Very high	97	Very high	9 Å²	9	45.3 Å²	45.3	6%	0.055	28%	0.278	C	S	.	.	H	α-helix	trans	-66	-40.6	173.7	-61	0	0	0	0	111.1	W617 D618 S619 L624 K625 L660	W617-T621 VanDerWaalsContact O-CB 3.25Å; W617-T621 WeakPolarHBondContact O-CB 3.39Å; W617-T621 PolarHBondContact O-N 3.27Å; W617-T621 PolarHBondContact O-OG1 3.01Å; D618-T621 PolarHBondContact O-N 3.35Å; S619-T621 PolarHBondContact O-N 2.8Å; T621-L624 PolarHBondContact O-N 3.45Å; T621-K625 HydrophobicContact CG2-CD 4.08Å; T621-K625 WeakPolarHBondContact O-CG 3.37Å; T621-K625 PolarHBondContact O-N 3.11Å; T621-L660 HydrophobicContact CG2-CB 4.42Å
622	G	97.8	Very high	96.9	Very high	43 Å²	43	47 Å²	47	44%	0.443	29%	0.292	S	S	.	.	H	α-helix	trans	-60.4	-43.5	172.2	0	0	0	0	0	112.3	D618 S619 L624 K625 G626	D618-G622 PolarHBondContact O-N 2.78Å; S619-G622 PolarHBondContact O-N 3.31Å; G622-L624 PolarHBondContact O-N 3.45Å; G622-K625 PolarHBondContact O-N 3.32Å; G622-G626 PolarHBondContact O-N 3.45Å
623	L	97.6	Very high	96.9	Very high	20 Å²	20	47.8 Å²	47.8	11%	0.105	30%	0.298	C	S	.	.	H	α-helix	trans	-57.8	-47.6	174.5	-177.4	65.1	0	0	0	111.6	W597 S619 L620 G626 T627 H628 A630 V631	W597-L623 HydrophobicContact CD2-CD2 3.8Å; W597-L623 HydrophobicContact CE3-CD2 4.28Å; W597-L623 HydrophobicContact CG-CD2 4.09Å; W597-L623 HydrophobicContact CZ2-CD1 4.44Å; W597-L623 HydrophobicContact CZ2-CD2 4.13Å; S619-L623 PolarHBondContact O-N 3.09Å; L620-L623 HydrophobicContact CD2-CD2 4.36Å; L620-L623 WeakPolarHBondContact O-CB 3.26Å; L620-L623 PolarHBondContact O-N 3.07Å; L623-G626 PolarHBondContact O-N 2.98Å; L623-T627 CarbonylContact O-C 3.52Å; L623-T627 WeakPolarHBondContact O-CA 3.16Å; L623-T627 PolarHBondContact O-N 2.98Å; L623-H628 PolarHBondContact O-N 3.02Å; L623-A630 HydrophobicContact CD1-CB 3.76Å; L623-A630 HydrophobicContact CG-CB 4.46Å; L623-V631 HydrophobicContact CD2-CG1 4.06Å
624	L	97.8	Very high	97	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.016	29%	0.287	C	S	.	.	H	α-helix	trans	-67.1	-40.5	179.5	-67.5	175	0	0	0	112.5	L620 T621 G622 H628 V631 R636 L639 L660 Y663	L620-L624 WeakPolarHBondContact O-CG 3.44Å; L620-L624 PolarHBondContact O-N 3Å; T621-L624 PolarHBondContact O-N 3.45Å; G622-L624 PolarHBondContact O-N 3.45Å; L624-H628 HydrophobicContact CD2-CB 4.26Å; L624-H628 WeakPolarHBondContact O-CB 3.42Å; L624-V631 HydrophobicContact CD2-CG2 4.44Å; L624-R636 HydrophobicContact CD2-CB 4.28Å; L624-R636 HydrophobicContact CD2-CG 3.69Å; L624-L639 HydrophobicContact CD1-CB 4.4Å; L624-L639 HydrophobicContact CD1-CD1 4.08Å; L624-L639 HydrophobicContact CD2-CD1 4.35Å; L624-L639 HydrophobicContact CG-CD1 4.41Å; L624-L660 HydrophobicContact CD1-CD1 4.15Å; L624-L660 HydrophobicContact CD1-CD2 3.96Å; L624-L660 HydrophobicContact CD1-CG 3.94Å; L624-Y663 HydrophobicContact CB-CD1 3.85Å; L624-Y663 HydrophobicContact CB-CD2 4.15Å; L624-Y663 HydrophobicContact CB-CE1 4.44Å; L624-Y663 HydrophobicContact CB-CG 3.73Å; L624-Y663 HydrophobicContact CD1-CD1 3.84Å; L624-Y663 HydrophobicContact CD1-CE1 3.83Å; L624-Y663 HydrophobicContact CD2-CE1 4.43Å; L624-Y663 HydrophobicContact CD2-CE2 4.43Å; L624-Y663 HydrophobicContact CG-CD1 4.32Å; L624-Y663 HydrophobicContact CG-CE1 4.47Å
625	K	96.8	Very high	97.2	Very high	81 Å²	81	40.2 Å²	40.2	35%	0.352	26%	0.26	S	S	.	.	H	α-helix	trans	-72.9	-28.2	178.3	-72.8	176	175.1	175.7	0	113.4	T621 G622 D659	T621-K625 HydrophobicContact CG2-CD 4.08Å; T621-K625 WeakPolarHBondContact O-CG 3.37Å; T621-K625 PolarHBondContact O-N 3.11Å; G622-K625 PolarHBondContact O-N 3.32Å; K625-D659 WeakPolarHBondContact CE-O 3.42Å; K625-D659 PolarHBondContact NZ-O 2.93Å; K625-D659 VanDerWaalsContact NZ-O 3.1Å; K625-D659 IonicContact NZ-OD1 2.87Å; K625-D659 PolarHBondContact NZ-OD1 2.97Å; K625-D659 IonicContact NZ-OD2 3.74Å; K625-D659 PolarHBondContact NZ-OD2 3.1Å
626	G	95.8	Very high	97.4	Very high	60 Å²	60	35.1 Å²	35.1	62%	0.619	23%	0.232	S	C	*	.	H	α-helix	trans	-92	-55.8	-179	0	0	0	0	0	113.7	G622 L623	G622-G626 PolarHBondContact O-N 3.45Å; L623-G626 PolarHBondContact O-N 2.98Å
627	T	95.9	Very high	97.5	Very high	82 Å²	82	34.4 Å²	34.4	50%	0.503	22%	0.224	S	C	.	.	H	α-helix	trans	-144.6	64.7	-173.4	-42.6	0	0	0	0	110.5	L623 T629 A630	L623-T627 CarbonylContact O-C 3.52Å; L623-T627 WeakPolarHBondContact O-CA 3.16Å; L623-T627 PolarHBondContact O-N 2.98Å; T627-T629 PolarHBondContact O-N 2.84Å; T627-A630 HydrophobicContact CG2-CB 4.48Å; T627-A630 VanDerWaalsContact O-CB 3.22Å; T627-A630 WeakPolarHBondContact O-CB 3.26Å; T627-A630 PolarHBondContact O-N 3.39Å
628	H	96.4	Very high	97.5	Very high	32 Å²	32	33.9 Å²	33.9	15%	0.148	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-53.6	-28.9	-178.5	66.6	104.1	0	0	0	113.8	L623 L624 A630 V631 R636 Y663 E667	L623-H628 PolarHBondContact O-N 3.02Å; L624-H628 HydrophobicContact CD2-CB 4.26Å; L624-H628 WeakPolarHBondContact O-CB 3.42Å; H628-A630 PolarHBondContact O-N 3.37Å; H628-V631 PolarHBondContact O-N 3.47Å; H628-R636 WeakPolarHBondContact O-CD 3.35Å; H628-Y663 HydrophobicContact CB-CD2 4.15Å; H628-Y663 HydrophobicContact CB-CE2 4.24Å; H628-E667 IonicContact ND1-OE1 3.19Å
629	T	96.8	Very high	97.5	Very high	101 Å²	101	30.3 Å²	30.3	62%	0.62	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-69.6	-6.4	177.5	54.4	0	0	0	0	114.7	T627 V631	T627-T629 PolarHBondContact O-N 2.84Å; T629-V631 PolarHBondContact O-N 3.32Å
630	A	96.8	Very high	97.6	Very high	47 Å²	47	28.5 Å²	28.5	39%	0.388	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-66.5	-18.9	173.9	0	0	0	0	0	113.4	W597 L623 T627 H628	W597-A630 HydrophobicContact CZ2-CB 4.47Å; L623-A630 HydrophobicContact CD1-CB 3.76Å; L623-A630 HydrophobicContact CG-CB 4.46Å; T627-A630 HydrophobicContact CG2-CB 4.48Å; T627-A630 VanDerWaalsContact O-CB 3.22Å; T627-A630 WeakPolarHBondContact O-CB 3.26Å; T627-A630 PolarHBondContact O-N 3.39Å; H628-A630 PolarHBondContact O-N 3.37Å
631	V	97.6	Very high	97.6	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.03	19%	0.191	C	C	.	.	S	Bend	trans	-125.3	156.2	172.7	-64.1	0	0	0	0	110	I570 W597 L623 L624 H628 T629 D635 R636	I570-V631 HydrophobicContact CD1-CG1 4.17Å; W597-V631 HydrophobicContact CH2-CG1 4.06Å; W597-V631 HydrophobicContact CZ3-CG1 4.2Å; L623-V631 HydrophobicContact CD2-CG1 4.06Å; L624-V631 HydrophobicContact CD2-CG2 4.44Å; H628-V631 PolarHBondContact O-N 3.47Å; T629-V631 PolarHBondContact O-N 3.32Å; V631-D635 HydrophobicContact CB-CB 3.86Å; V631-D635 HydrophobicContact CG2-CB 4.16Å; V631-R636 HydrophobicContact CG2-CG 3.68Å; V631-R636 PolarHBondContact O-NH1 2.82Å
632	S	97.6	Very high	97.6	Very high	54 Å²	54	28.2 Å²	28.2	38%	0.378	19%	0.189	S	C	.	.			trans	-63.6	161.5	-175.8	76	0	0	0	0	112.8	N634 D635 R636	S632-N634 PolarHBondContact O-N 3.31Å; S632-D635 WeakPolarHBondContact CB-OD2 3.14Å; S632-D635 WeakPolarHBondContact O-CB 3.4Å; S632-D635 PolarHBondContact O-N 2.82Å; S632-D635 VanDerWaalsContact O-N 3.14Å; S632-D635 VanDerWaalsContact OG-CG 3.28Å; S632-D635 PolarHBondContact OG-N 3.45Å; S632-D635 PolarHBondContact OG-OD2 2.79Å; S632-R636 WeakPolarHBondContact O-CG 3.34Å; S632-R636 PolarHBondContact O-N 3.06Å
633	S	97.8	Very high	97.6	Very high	24 Å²	24	26.2 Å²	26.2	17%	0.168	17%	0.168	C	C	.	.	H	α-helix	trans	-51	-45.4	173.9	-173.3	0	0	0	0	112.3	R636 A637 E669 P672	S633-R636 WeakPolarHBondContact O-CB 3.38Å; S633-R636 PolarHBondContact O-N 2.79Å; S633-A637 PolarHBondContact O-N 2.7Å; S633-E669 WeakPolarHBondContact OG-CB 3.31Å; S633-P672 WeakPolarHBondContact OG-CD 3.3Å
634	N	97.7	Very high	97.6	Very high	22 Å²	22	25.7 Å²	25.7	12%	0.118	17%	0.165	C	C	.	.	H	α-helix	trans	-72.6	-33	-179	-63.7	14.3	0	0	0	112	F401 S632 R636 A637 S638	F401-N634 HydrophobicContact CD1-CB 3.98Å; F401-N634 VanDerWaalsContact CD1-ND2 3.31Å; F401-N634 WeakPolarHBondContact CD1-ND2 3.35Å; F401-N634 HydrophobicContact CE1-CB 3.95Å; F401-N634 WeakPolarHBondContact CE1-OD1 3.46Å; S632-N634 PolarHBondContact O-N 3.31Å; N634-R636 VanDerWaalsContact C-N 3.31Å; N634-R636 PolarHBondContact O-N 2.92Å; N634-A637 PolarHBondContact O-N 3.05Å; N634-S638 WeakPolarHBondContact O-CB 3.36Å; N634-S638 PolarHBondContact O-N 2.9Å
635	D	98.5	Very high	97.5	Very high	2 Å²	2	26 Å²	26	1%	0.011	17%	0.166	C	C	.	.	H	α-helix	trans	-62.6	-40.5	171.4	-75.3	-60.1	0	0	0	111.5	K599 V602 G603 V631 S632 S638 L639	K599-D635 IonicContact NZ-OD1 3.36Å; K599-D635 PolarHBondContact NZ-OD1 3.23Å; V602-D635 WeakPolarHBondContact CA-OD1 3.29Å; G603-D635 PolarHBondContact N-OD1 2.84Å; V631-D635 HydrophobicContact CB-CB 3.86Å; V631-D635 HydrophobicContact CG2-CB 4.16Å; S632-D635 WeakPolarHBondContact CB-OD2 3.14Å; S632-D635 WeakPolarHBondContact O-CB 3.4Å; S632-D635 PolarHBondContact O-N 2.82Å; S632-D635 VanDerWaalsContact O-N 3.14Å; S632-D635 VanDerWaalsContact OG-CG 3.28Å; S632-D635 PolarHBondContact OG-N 3.45Å; S632-D635 PolarHBondContact OG-OD2 2.79Å; D635-S638 PolarHBondContact O-N 3.18Å; D635-S638 PolarHBondContact O-OG 2.85Å; D635-L639 WeakPolarHBondContact O-CG 3.28Å; D635-L639 PolarHBondContact O-N 2.94Å
636	R	98.5	Very high	97.5	Very high	11 Å²	11	22.1 Å²	22.1	4%	0.042	15%	0.149	C	C	.	.	H	α-helix	trans	-64.8	-45.4	176	-61.2	-165.8	-64	-83.7	7.4	112	L624 H628 V631 S632 S633 N634 S638 L639 I640 Y663 E667 E669 P672	L624-R636 HydrophobicContact CD2-CB 4.28Å; L624-R636 HydrophobicContact CD2-CG 3.69Å; H628-R636 WeakPolarHBondContact O-CD 3.35Å; V631-R636 HydrophobicContact CG2-CG 3.68Å; V631-R636 PolarHBondContact O-NH1 2.82Å; S632-R636 WeakPolarHBondContact O-CG 3.34Å; S632-R636 PolarHBondContact O-N 3.06Å; S633-R636 WeakPolarHBondContact O-CB 3.38Å; S633-R636 PolarHBondContact O-N 2.79Å; N634-R636 VanDerWaalsContact C-N 3.31Å; N634-R636 PolarHBondContact O-N 2.92Å; R636-S638 VanDerWaalsContact C-N 3.29Å; R636-S638 PolarHBondContact O-N 2.85Å; R636-L639 PolarHBondContact O-N 2.85Å; R636-I640 WeakPolarHBondContact O-CG1 3.46Å; R636-I640 PolarHBondContact O-N 2.99Å; R636-I640 VanDerWaalsContact O-N 3.09Å; R636-Y663 WeakPolarHBondContact CB-OH 3.39Å; R636-E667 WeakPolarHBondContact CD-OE2 3.21Å; R636-E667 IonicContact CZ-OE1 2.62Å; R636-E667 IonicContact CZ-OE2 2.86Å; R636-E667 IonicContact NE-OE1 2.64Å; R636-E667 IonicContact NE-OE2 2.84Å; R636-E667 PolarHBondContact NE-OE2 3.29Å; R636-E667 IonicContact NH2-OE1 2.74Å; R636-E667 PolarHBondContact NH2-OE1 3.44Å; R636-E667 IonicContact NH2-OE2 2.85Å; R636-E667 PolarHBondContact NH2-OE2 3.04Å; R636-E669 VanDerWaalsContact NH2-CG 3.28Å; R636-P672 HydrophobicContact CB-CB 4.11Å
637	A	98.1	Very high	97.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-57.3	-43.2	173.2	0	0	0	0	0	111.5	F401 S633 N634 L639 I640 N641 Q675	F401-A637 HydrophobicContact CE2-CB 3.7Å; F401-A637 HydrophobicContact CZ-CB 3.61Å; S633-A637 PolarHBondContact O-N 2.7Å; N634-A637 PolarHBondContact O-N 3.05Å; A637-L639 VanDerWaalsContact C-N 3.33Å; A637-L639 PolarHBondContact O-N 3.31Å; A637-I640 PolarHBondContact O-N 2.79Å; A637-N641 PolarHBondContact O-N 2.93Å; A637-Q675 HydrophobicContact CB-CB 4.04Å; A637-Q675 HydrophobicContact CB-CG 4.37Å
638	S	98.3	Very high	97.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62	-36.1	176.6	80.1	0	0	0	0	113.9	K599 N634 D635 R636 N642	K599-S638 VanDerWaalsContact CE-OG 3.26Å; K599-S638 WeakPolarHBondContact CE-OG 3.4Å; K599-S638 PolarHBondContact NZ-OG 2.86Å; N634-S638 WeakPolarHBondContact O-CB 3.36Å; N634-S638 PolarHBondContact O-N 2.9Å; D635-S638 PolarHBondContact O-N 3.18Å; D635-S638 PolarHBondContact O-OG 2.85Å; R636-S638 VanDerWaalsContact C-N 3.29Å; R636-S638 PolarHBondContact O-N 2.85Å; S638-N642 VanDerWaalsContact O-CB 3.27Å; S638-N642 WeakPolarHBondContact O-CB 3.34Å; S638-N642 PolarHBondContact O-N 2.97Å; S638-N642 PolarHBondContact O-OD1 2.73Å
639	L	98.6	Very high	97.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-68.6	-40.9	176.4	-71.8	172.8	0	0	0	111.5	K599 Y612 W617 L620 L624 D635 R636 A637 A643	K599-L639 HydrophobicContact CD-CD1 4.47Å; K599-L639 HydrophobicContact CD-CD2 3.89Å; K599-L639 HydrophobicContact CD-CG 4.24Å; Y612-L639 HydrophobicContact CE2-CD2 4.35Å; W617-L639 HydrophobicContact CH2-CD2 4.4Å; W617-L639 HydrophobicContact CZ3-CD2 4.29Å; L620-L639 HydrophobicContact CD1-CD2 3.91Å; L624-L639 HydrophobicContact CD1-CB 4.4Å; L624-L639 HydrophobicContact CD1-CD1 4.08Å; L624-L639 HydrophobicContact CD2-CD1 4.35Å; L624-L639 HydrophobicContact CG-CD1 4.41Å; D635-L639 WeakPolarHBondContact O-CG 3.28Å; D635-L639 PolarHBondContact O-N 2.94Å; R636-L639 PolarHBondContact O-N 2.85Å; A637-L639 VanDerWaalsContact C-N 3.33Å; A637-L639 PolarHBondContact O-N 3.31Å; L639-A643 VanDerWaalsContact O-CB 3.31Å; L639-A643 WeakPolarHBondContact O-CB 3.42Å; L639-A643 PolarHBondContact O-N 3.27Å
640	I	98.4	Very high	97	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.4	-56.4	174.5	-64.9	166.6	0	0	0	109.6	R636 A637 N642 A643 F644 L660 Y663 L664 P672 Q675 E679	R636-I640 WeakPolarHBondContact O-CG1 3.46Å; R636-I640 PolarHBondContact O-N 2.99Å; R636-I640 VanDerWaalsContact O-N 3.09Å; A637-I640 PolarHBondContact O-N 2.79Å; I640-N642 PolarHBondContact O-N 2.83Å; I640-A643 PolarHBondContact O-N 3.32Å; I640-F644 HydrophobicContact CG2-CD2 4.13Å; I640-F644 HydrophobicContact CG2-CE2 4.12Å; I640-F644 WeakPolarHBondContact O-CD2 3.23Å; I640-F644 PolarHBondContact O-N 2.66Å; I640-L660 HydrophobicContact CG1-CD2 3.96Å; I640-Y663 HydrophobicContact CD1-CE1 3.88Å; I640-Y663 WeakPolarHBondContact CD1-OH 3.35Å; I640-Y663 HydrophobicContact CG1-CE1 3.97Å; I640-L664 HydrophobicContact CD1-CD2 3.92Å; I640-P672 HydrophobicContact CD1-CB 4.15Å; I640-P672 WeakPolarHBondContact CD1-O 3.46Å; I640-Q675 HydrophobicContact CB-CG 4.1Å; I640-Q675 HydrophobicContact CG2-CB 4.46Å; I640-Q675 HydrophobicContact CG2-CG 3.96Å; I640-E679 HydrophobicContact CG2-CG 3.84Å
641	N	98.3	Very high	96.9	Very high	5 Å²	5	20.9 Å²	20.9	3%	0.027	14%	0.135	C	C	.	.	H	α-helix	trans	-58	-50.9	-177.7	-178.1	-100	0	0	0	111.8	F405 A637 A643 F644 Q645 Q675 E679	F405-N641 HydrophobicContact CD1-CB 4.23Å; F405-N641 WeakPolarHBondContact CD1-OD1 2.81Å; F405-N641 HydrophobicContact CD2-CB 4.26Å; F405-N641 HydrophobicContact CE1-CB 3.79Å; F405-N641 WeakPolarHBondContact CE1-OD1 3.2Å; F405-N641 HydrophobicContact CE2-CB 3.77Å; F405-N641 HydrophobicContact CG-CB 4.48Å; F405-N641 HydrophobicContact CZ-CB 3.58Å; A637-N641 PolarHBondContact O-N 2.93Å; N641-A643 VanDerWaalsContact C-N 3.28Å; N641-A643 PolarHBondContact O-N 2.97Å; N641-F644 PolarHBondContact O-N 2.88Å; N641-Q645 WeakPolarHBondContact O-CB 3.31Å; N641-Q645 WeakPolarHBondContact O-CG 3.23Å; N641-Q645 PolarHBondContact O-N 3.01Å; N641-Q675 HydrophobicContact CB-CG 4.2Å; N641-Q675 PolarHBondContact ND2-NE2 2.98Å; N641-E679 PolarHBondContact ND2-OE1 2.81Å
642	N	98.4	Very high	96.9	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-59.2	-39.5	-179.4	-71	4.1	0	0	0	111.8	I609 V610 W617 S638 I640 F644 Q645 L646	I609-N642 WeakPolarHBondContact CG2-OD1 2.98Å; V610-N642 PolarHBondContact N-ND2 3.3Å; W617-N642 HydrophobicContact CH2-CB 4.09Å; W617-N642 HydrophobicContact CZ2-CB 4.46Å; S638-N642 VanDerWaalsContact O-CB 3.27Å; S638-N642 WeakPolarHBondContact O-CB 3.34Å; S638-N642 PolarHBondContact O-N 2.97Å; S638-N642 PolarHBondContact O-OD1 2.73Å; I640-N642 PolarHBondContact O-N 2.83Å; N642-F644 PolarHBondContact O-N 3.26Å; N642-Q645 PolarHBondContact O-N 3.09Å; N642-L646 WeakPolarHBondContact O-CB 3.17Å; N642-L646 WeakPolarHBondContact O-CD1 3.42Å; N642-L646 WeakPolarHBondContact O-CG 3.21Å; N642-L646 PolarHBondContact O-N 2.85Å
643	A	98.3	Very high	96.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.8	-49	178.6	0	0	0	0	0	111.6	W617 L639 I640 N641 L646 V647 L652 A657 L660	W617-A643 HydrophobicContact CH2-CB 3.92Å; W617-A643 HydrophobicContact CZ3-CB 3.79Å; L639-A643 VanDerWaalsContact O-CB 3.31Å; L639-A643 WeakPolarHBondContact O-CB 3.42Å; L639-A643 PolarHBondContact O-N 3.27Å; I640-A643 PolarHBondContact O-N 3.32Å; N641-A643 VanDerWaalsContact C-N 3.28Å; N641-A643 PolarHBondContact O-N 2.97Å; A643-L646 PolarHBondContact O-N 2.68Å; A643-V647 WeakPolarHBondContact O-CG2 2.95Å; A643-V647 PolarHBondContact O-N 3.37Å; A643-L652 HydrophobicContact CB-CD2 3.86Å; A643-A657 HydrophobicContact CB-CB 4.26Å; A643-L660 HydrophobicContact CB-CD1 4.31Å
644	F	97.4	Very high	96.8	Very high	9 Å²	9	23.3 Å²	23.3	4%	0.039	15%	0.145	C	C	.	.	H	α-helix	trans	-72.5	-33.1	179.9	-73.9	-80	0	0	0	113.1	I640 N641 N642 L646 V647 S648 I654 A657 L658 E679 L680 M683	I640-F644 HydrophobicContact CG2-CD2 4.13Å; I640-F644 HydrophobicContact CG2-CE2 4.12Å; I640-F644 WeakPolarHBondContact O-CD2 3.23Å; I640-F644 PolarHBondContact O-N 2.66Å; N641-F644 PolarHBondContact O-N 2.88Å; N642-F644 PolarHBondContact O-N 3.26Å; F644-L646 VanDerWaalsContact C-N 3.3Å; F644-L646 PolarHBondContact O-N 3.49Å; F644-V647 WeakPolarHBondContact O-CB 3.48Å; F644-V647 PolarHBondContact O-N 3.49Å; F644-S648 PolarHBondContact O-N 2.71Å; F644-S648 PolarHBondContact O-OG 3.08Å; F644-I654 HydrophobicContact CD1-CD1 4.32Å; F644-I654 HydrophobicContact CE1-CD1 4.09Å; F644-A657 HydrophobicContact CD1-CB 4.01Å; F644-A657 HydrophobicContact CE1-CB 3.89Å; F644-A657 HydrophobicContact CE2-CB 4.42Å; F644-A657 HydrophobicContact CG-CB 4.33Å; F644-A657 HydrophobicContact CZ-CB 4.12Å; F644-L658 HydrophobicContact CE1-CD2 4.3Å; F644-L658 HydrophobicContact CZ-CD2 4.34Å; F644-E679 HydrophobicContact CB-CB 4.29Å; F644-E679 HydrophobicContact CB-CG 4.12Å; F644-E679 WeakPolarHBondContact CB-OE2 3.09Å; F644-E679 HydrophobicContact CD1-CB 4.3Å; F644-E679 HydrophobicContact CD2-CB 3.5Å; F644-E679 HydrophobicContact CD2-CG 3.54Å; F644-E679 HydrophobicContact CE2-CB 3.8Å; F644-E679 HydrophobicContact CE2-CG 4.18Å; F644-E679 HydrophobicContact CG-CB 3.77Å; F644-E679 HydrophobicContact CG-CG 3.97Å; F644-E679 HydrophobicContact CZ-CB 4.32Å; F644-L680 HydrophobicContact CE1-CD2 4.45Å; F644-L680 HydrophobicContact CZ-CD2 4.01Å; F644-M683 HydrophobicContact CD1-CE 3.32Å; F644-M683 HydrophobicContact CE1-CE 3.29Å; F644-M683 HydrophobicContact CE1-SD 4.43Å; F644-M683 HydrophobicContact CG-CE 4.5Å; F644-M683 HydrophobicContact CZ-CE 4.46Å
645	Q	96.4	Very high	96.7	Very high	9 Å²	9	28.1 Å²	28.1	4%	0.042	17%	0.167	C	C	.	.	H	α-helix	trans	-62.3	-37.7	170.8	-66.6	-80	25.2	0	0	111.6	Y549 I609 N641 N642 S648	Y549-Q645 HydrophobicContact CE2-CB 4.49Å; Y549-Q645 PolarHBondContact OH-O 2.88Å; Y549-Q645 PolarHBondContact OH-OE1 3.39Å; Y549-Q645 VanDerWaalsContact OH-OE1 3.08Å; I609-Q645 HydrophobicContact CD1-CB 4.26Å; N641-Q645 WeakPolarHBondContact O-CB 3.31Å; N641-Q645 WeakPolarHBondContact O-CG 3.23Å; N641-Q645 PolarHBondContact O-N 3.01Å; N642-Q645 PolarHBondContact O-N 3.09Å; Q645-S648 WeakPolarHBondContact O-CB 3.43Å; Q645-S648 PolarHBondContact O-N 3.08Å
646	L	97.1	Very high	96.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-72.1	-28.5	178.2	-70.3	169.8	0	0	0	113.5	L532 I609 H611 W617 N642 A643 F644 S648 I649 G650 K651 L652	L532-L646 HydrophobicContact CD1-CD2 3.78Å; L532-L646 HydrophobicContact CD2-CD2 4.3Å; I609-L646 HydrophobicContact CD1-CD2 4.48Å; H611-L646 HydrophobicContact CB-CD1 3.89Å; H611-L646 HydrophobicContact CB-CD2 3.81Å; W617-L646 HydrophobicContact CH2-CD1 4.36Å; W617-L646 HydrophobicContact CZ2-CD1 3.33Å; N642-L646 WeakPolarHBondContact O-CB 3.17Å; N642-L646 WeakPolarHBondContact O-CD1 3.42Å; N642-L646 WeakPolarHBondContact O-CG 3.21Å; N642-L646 PolarHBondContact O-N 2.85Å; A643-L646 PolarHBondContact O-N 2.68Å; F644-L646 VanDerWaalsContact C-N 3.3Å; F644-L646 PolarHBondContact O-N 3.49Å; L646-S648 PolarHBondContact O-N 3Å; L646-I649 HydrophobicContact CD2-CD1 4.1Å; L646-I649 HydrophobicContact CD2-CG1 4.46Å; L646-I649 WeakPolarHBondContact O-CG1 3.48Å; L646-I649 PolarHBondContact O-N 3.43Å; L646-G650 PolarHBondContact O-N 3.05Å; L646-K651 HydrophobicContact CB-CB 4.18Å; L646-K651 HydrophobicContact CD2-CB 3.86Å; L646-K651 HydrophobicContact CD2-CG 4.31Å; L646-K651 PolarHBondContact O-N 3.38Å; L646-L652 HydrophobicContact CB-CB 3.84Å; L646-L652 PolarHBondContact O-N 2.87Å
647	V	96.1	Very high	96.5	Very high	39 Å²	39	31.3 Å²	31.3	24%	0.236	18%	0.181	C	C	.	.	H	α-helix	trans	-59.6	-40.7	170	175.4	0	0	0	0	110.6	A643 F644 I649 G650 L652 I654 A657	A643-V647 WeakPolarHBondContact O-CG2 2.95Å; A643-V647 PolarHBondContact O-N 3.37Å; F644-V647 WeakPolarHBondContact O-CB 3.48Å; F644-V647 PolarHBondContact O-N 3.49Å; V647-I649 PolarHBondContact O-N 2.94Å; V647-I649 VanDerWaalsContact O-N 3.11Å; V647-G650 PolarHBondContact O-N 3.33Å; V647-G650 VanDerWaalsContact O-N 3.13Å; V647-L652 WeakPolarHBondContact CA-O 3.34Å; V647-L652 HydrophobicContact CG2-CB 4.49Å; V647-I654 HydrophobicContact CG1-CB 3.97Å; V647-I654 HydrophobicContact CG1-CD1 4.15Å; V647-I654 HydrophobicContact CG2-CD1 4.44Å; V647-A657 HydrophobicContact CG2-CB 3.7Å
648	S	92.2	Very high	96.4	Very high	66 Å²	66	34 Å²	34	46%	0.462	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-15.6	-178.1	-58.1	0	0	0	0	114.4	F644 Q645 L646	F644-S648 PolarHBondContact O-N 2.71Å; F644-S648 PolarHBondContact O-OG 3.08Å; Q645-S648 WeakPolarHBondContact O-CB 3.43Å; Q645-S648 PolarHBondContact O-N 3.08Å; L646-S648 PolarHBondContact O-N 3Å
649	I	92.4	Very high	96.3	Very high	48 Å²	48	37 Å²	37	25%	0.246	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	14.3	177.4	64.1	160.6	0	0	0	113	L532 Y549 M550 L646 V647 K651	L532-I649 HydrophobicContact CD2-CD1 3.74Å; Y549-I649 HydrophobicContact CD2-CD1 3.78Å; Y549-I649 HydrophobicContact CD2-CG2 4.3Å; Y549-I649 HydrophobicContact CE2-CB 4.44Å; Y549-I649 HydrophobicContact CE2-CD1 3.65Å; Y549-I649 HydrophobicContact CE2-CG1 3.93Å; Y549-I649 HydrophobicContact CE2-CG2 3.65Å; M550-I649 WeakPolarHBondContact O-CG2 3.43Å; L646-I649 HydrophobicContact CD2-CD1 4.1Å; L646-I649 HydrophobicContact CD2-CG1 4.46Å; L646-I649 WeakPolarHBondContact O-CG1 3.48Å; L646-I649 PolarHBondContact O-N 3.43Å; V647-I649 PolarHBondContact O-N 2.94Å; V647-I649 VanDerWaalsContact O-N 3.11Å; I649-K651 HydrophobicContact CD1-CB 4.29Å; I649-K651 HydrophobicContact CD1-CG 3.52Å; I649-K651 HydrophobicContact CG1-CB 4.19Å; I649-K651 HydrophobicContact CG1-CG 3.79Å; I649-K651 PolarHBondContact O-N 2.88Å
650	G	93.5	Very high	96.2	Very high	68 Å²	68	37.1 Å²	37.1	70%	0.701	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.7	13.7	175.8	0	0	0	0	0	115.8	L646 V647	L646-G650 PolarHBondContact O-N 3.05Å; V647-G650 PolarHBondContact O-N 3.33Å; V647-G650 VanDerWaalsContact O-N 3.13Å
651	K	94.8	Very high	96	Very high	75 Å²	75	37.5 Å²	37.5	33%	0.326	21%	0.214	S	C	.	.	S	Bend	trans	-84.4	-19	177.9	-69.8	-78.8	-168.4	155.3	0	113	E547 H611 L646 I649	E547-K651 IonicContact OE1-NZ 3.6Å; E547-K651 PolarHBondContact OE1-NZ 3.04Å; H611-K651 PolarHBondContact CE1-O 3.48Å; L646-K651 HydrophobicContact CB-CB 4.18Å; L646-K651 HydrophobicContact CD2-CB 3.86Å; L646-K651 HydrophobicContact CD2-CG 4.31Å; L646-K651 PolarHBondContact O-N 3.38Å; I649-K651 HydrophobicContact CD1-CB 4.29Å; I649-K651 HydrophobicContact CD1-CG 3.52Å; I649-K651 HydrophobicContact CG1-CB 4.19Å; I649-K651 HydrophobicContact CG1-CG 3.79Å; I649-K651 PolarHBondContact O-N 2.88Å
652	L	96.2	Very high	95.8	Very high	22 Å²	22	40.3 Å²	40.3	12%	0.115	23%	0.229	C	C	.	.	S	Bend	trans	-137.7	143.4	174.9	-166.8	65.5	0	0	0	108.8	W617 A643 L646 V647 K656 A657	W617-L652 HydrophobicContact CB-CD1 4.31Å; W617-L652 HydrophobicContact CD2-CD2 4.15Å; W617-L652 HydrophobicContact CE3-CD2 4.41Å; W617-L652 HydrophobicContact CG-CD1 3.99Å; W617-L652 HydrophobicContact CG-CD2 4.47Å; A643-L652 HydrophobicContact CB-CD2 3.86Å; L646-L652 HydrophobicContact CB-CB 3.84Å; L646-L652 PolarHBondContact O-N 2.87Å; V647-L652 WeakPolarHBondContact CA-O 3.34Å; V647-L652 HydrophobicContact CG2-CB 4.49Å; L652-K656 HydrophobicContact CD1-CB 3.79Å; L652-K656 HydrophobicContact CD1-CG 4.25Å; L652-K656 HydrophobicContact CD2-CB 4.4Å; L652-K656 HydrophobicContact CG-CB 3.93Å; L652-A657 HydrophobicContact CD2-CB 4.48Å
653	S	97.2	Very high	95.7	Very high	53 Å²	53	40.3 Å²	40.3	37%	0.371	23%	0.229	S	C	.	.			trans	-77.7	150.3	176.3	93.7	0	0	0	0	110.7	E655 K656 A657	S653-E655 WeakPolarHBondContact CB-OE2 3.46Å; S653-E655 PolarHBondContact O-N 2.73Å; S653-E655 PolarHBondContact OG-N 3.42Å; S653-E655 PolarHBondContact OG-OE2 3.03Å; S653-K656 PolarHBondContact O-N 2.96Å; S653-K656 VanDerWaalsContact O-N 3.15Å; S653-K656 PolarHBondContact OG-N 3.47Å; S653-A657 PolarHBondContact O-N 2.87Å
654	I	96.1	Very high	95.4	Very high	59 Å²	59	40.4 Å²	40.4	30%	0.303	23%	0.229	S	C	.	.	H	α-helix	trans	-60.7	-32.8	178	-176.3	58.5	0	0	0	111.5	F644 V647 K656 A657 L658 M683	F644-I654 HydrophobicContact CD1-CD1 4.32Å; F644-I654 HydrophobicContact CE1-CD1 4.09Å; V647-I654 HydrophobicContact CG1-CB 3.97Å; V647-I654 HydrophobicContact CG1-CD1 4.15Å; V647-I654 HydrophobicContact CG2-CD1 4.44Å; I654-K656 PolarHBondContact O-N 3.22Å; I654-A657 PolarHBondContact O-N 3.27Å; I654-L658 HydrophobicContact CD1-CD1 4.41Å; I654-L658 HydrophobicContact CD1-CG 4.18Å; I654-L658 HydrophobicContact CG1-CD1 3.99Å; I654-L658 HydrophobicContact CG1-CG 4.25Å; I654-L658 WeakPolarHBondContact O-CB 3.21Å; I654-L658 WeakPolarHBondContact O-CG 3.48Å; I654-L658 PolarHBondContact O-N 2.93Å; I654-M683 HydrophobicContact CD1-CE 3.84Å; I654-M683 HydrophobicContact CD1-SD 4.34Å
655	E	96.6	Very high	95.1	Very high	124 Å²	124	44.8 Å²	44.8	58%	0.579	25%	0.248	S	C	*	.	H	α-helix	trans	-63.6	-40.7	177	-56.1	80.3	-177.5	0	0	111.7	S653 D659	S653-E655 WeakPolarHBondContact CB-OE2 3.46Å; S653-E655 PolarHBondContact O-N 2.73Å; S653-E655 PolarHBondContact OG-N 3.42Å; S653-E655 PolarHBondContact OG-OE2 3.03Å; E655-D659 WeakPolarHBondContact O-CB 3.44Å; E655-D659 PolarHBondContact O-N 3.4Å
656	K	96.9	Very high	95	Very high	80 Å²	80	49.4 Å²	49.4	35%	0.348	27%	0.27	S	S	.	.	H	α-helix	trans	-66.3	-40.6	175.9	-73.4	-72.4	-168.1	175.9	0	111.7	D618 L652 S653 I654 D659 L660	D618-K656 WeakPolarHBondContact OD1-CE 3.31Å; D618-K656 IonicContact OD1-NZ 2.63Å; D618-K656 PolarHBondContact OD1-NZ 2.98Å; D618-K656 IonicContact OD2-NZ 3.46Å; D618-K656 PolarHBondContact OD2-NZ 3.3Å; L652-K656 HydrophobicContact CD1-CB 3.79Å; L652-K656 HydrophobicContact CD1-CG 4.25Å; L652-K656 HydrophobicContact CD2-CB 4.4Å; L652-K656 HydrophobicContact CG-CB 3.93Å; S653-K656 PolarHBondContact O-N 2.96Å; S653-K656 VanDerWaalsContact O-N 3.15Å; S653-K656 PolarHBondContact OG-N 3.47Å; I654-K656 PolarHBondContact O-N 3.22Å; K656-D659 PolarHBondContact O-N 3.43Å; K656-L660 PolarHBondContact O-N 3.41Å
657	A	96.5	Very high	94.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66.1	-43.1	176.7	0	0	0	0	0	112.2	A643 F644 V647 L652 S653 I654 L660 S661	A643-A657 HydrophobicContact CB-CB 4.26Å; F644-A657 HydrophobicContact CD1-CB 4.01Å; F644-A657 HydrophobicContact CE1-CB 3.89Å; F644-A657 HydrophobicContact CE2-CB 4.42Å; F644-A657 HydrophobicContact CG-CB 4.33Å; F644-A657 HydrophobicContact CZ-CB 4.12Å; V647-A657 HydrophobicContact CG2-CB 3.7Å; L652-A657 HydrophobicContact CD2-CB 4.48Å; S653-A657 PolarHBondContact O-N 2.87Å; I654-A657 PolarHBondContact O-N 3.27Å; A657-L660 WeakPolarHBondContact O-CB 3.44Å; A657-L660 PolarHBondContact O-N 3.23Å; A657-S661 PolarHBondContact O-N 3.06Å
658	L	94.9	Very high	94.7	Very high	57 Å²	57	52.5 Å²	52.5	30%	0.298	29%	0.289	S	S	.	.	H	α-helix	trans	-65.1	-40.7	174.1	-69.9	173.4	0	0	0	111.5	F644 I654 L660 S661 L662 L680 F699	F644-L658 HydrophobicContact CE1-CD2 4.3Å; F644-L658 HydrophobicContact CZ-CD2 4.34Å; I654-L658 HydrophobicContact CD1-CD1 4.41Å; I654-L658 HydrophobicContact CD1-CG 4.18Å; I654-L658 HydrophobicContact CG1-CD1 3.99Å; I654-L658 HydrophobicContact CG1-CG 4.25Å; I654-L658 WeakPolarHBondContact O-CB 3.21Å; I654-L658 WeakPolarHBondContact O-CG 3.48Å; I654-L658 PolarHBondContact O-N 2.93Å; L658-L660 VanDerWaalsContact C-N 3.3Å; L658-L660 PolarHBondContact O-N 3.06Å; L658-S661 PolarHBondContact O-N 3.31Å; L658-S661 VanDerWaalsContact O-N 3.11Å; L658-S661 PolarHBondContact O-OG 2.67Å; L658-L662 PolarHBondContact O-N 3.3Å; L658-L680 HydrophobicContact CD2-CD2 3.77Å; L658-F699 HydrophobicContact CD2-CE2 4.38Å
659	D	95.8	Very high	94.8	Very high	62 Å²	62	53.7 Å²	53.7	33%	0.332	29%	0.287	S	S	.	.	H	α-helix	trans	-62.3	-37.8	176.1	-173.5	54.8	0	0	0	112.2	K625 E655 K656 L662	K625-D659 WeakPolarHBondContact CE-O 3.42Å; K625-D659 PolarHBondContact NZ-O 2.93Å; K625-D659 VanDerWaalsContact NZ-O 3.1Å; K625-D659 IonicContact NZ-OD1 2.87Å; K625-D659 PolarHBondContact NZ-OD1 2.97Å; K625-D659 IonicContact NZ-OD2 3.74Å; K625-D659 PolarHBondContact NZ-OD2 3.1Å; E655-D659 WeakPolarHBondContact O-CB 3.44Å; E655-D659 PolarHBondContact O-N 3.4Å; K656-D659 PolarHBondContact O-N 3.43Å; D659-L662 WeakPolarHBondContact O-CB 3.4Å; D659-L662 PolarHBondContact O-N 3.09Å
660	L	96.8	Very high	94.9	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-59.6	-50.9	170.2	-174	153.2	0	0	0	110.1	W617 T621 L624 I640 A643 K656 A657 L658 L662 Y663	W617-L660 HydrophobicContact CE3-CD1 3.89Å; W617-L660 HydrophobicContact CZ3-CD1 3.72Å; T621-L660 HydrophobicContact CG2-CB 4.42Å; L624-L660 HydrophobicContact CD1-CD1 4.15Å; L624-L660 HydrophobicContact CD1-CD2 3.96Å; L624-L660 HydrophobicContact CD1-CG 3.94Å; I640-L660 HydrophobicContact CG1-CD2 3.96Å; A643-L660 HydrophobicContact CB-CD1 4.31Å; K656-L660 PolarHBondContact O-N 3.41Å; A657-L660 WeakPolarHBondContact O-CB 3.44Å; A657-L660 PolarHBondContact O-N 3.23Å; L658-L660 VanDerWaalsContact C-N 3.3Å; L658-L660 PolarHBondContact O-N 3.06Å; L660-L662 PolarHBondContact O-N 3.11Å; L660-Y663 HydrophobicContact CD2-CD1 4.19Å; L660-Y663 HydrophobicContact CD2-CE1 4.16Å; L660-Y663 WeakPolarHBondContact O-CD1 3.41Å; L660-Y663 PolarHBondContact O-N 3.35Å; L660-Y663 VanDerWaalsContact O-N 3.09Å
661	S	94.4	Very high	95	Very high	8 Å²	8	52.8 Å²	52.8	6%	0.056	27%	0.266	C	S	.	.	H	α-helix	trans	-58.6	-19.7	-177.7	73.6	0	0	0	0	114.8	A657 L658 Y663 L664	A657-S661 PolarHBondContact O-N 3.06Å; L658-S661 PolarHBondContact O-N 3.31Å; L658-S661 VanDerWaalsContact O-N 3.11Å; L658-S661 PolarHBondContact O-OG 2.67Å; S661-Y663 PolarHBondContact O-N 3.15Å; S661-L664 VanDerWaalsContact O-CB 3.23Å; S661-L664 WeakPolarHBondContact O-CB 3.38Å; S661-L664 VanDerWaalsContact O-CG 3.31Å; S661-L664 WeakPolarHBondContact O-CG 3.32Å; S661-L664 PolarHBondContact O-N 2.96Å
662	L	93.8	Very high	95	Very high	65 Å²	65	49.2 Å²	49.2	34%	0.34	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-61.4	-16.2	175.9	-63.9	178.7	0	0	0	113.8	L658 D659 L660 L664 K665	L658-L662 PolarHBondContact O-N 3.3Å; D659-L662 WeakPolarHBondContact O-CB 3.4Å; D659-L662 PolarHBondContact O-N 3.09Å; L660-L662 PolarHBondContact O-N 3.11Å; L662-L664 PolarHBondContact O-N 3.31Å; L662-K665 WeakPolarHBondContact O-CD 3.4Å; L662-K665 VanDerWaalsContact O-CE 3.31Å; L662-K665 WeakPolarHBondContact O-CE 3.28Å; L662-K665 VanDerWaalsContact O-CG 3.28Å; L662-K665 WeakPolarHBondContact O-CG 3.5Å
663	Y	95.6	Very high	95	Very high	1 Å²	1	48.7 Å²	48.7	0%	0.004	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-67.6	-24.4	173.5	97.5	-97	0	0	0	112.2	L624 H628 R636 I640 L660 S661 K665 H666 E667 P672	L624-Y663 HydrophobicContact CB-CD1 3.85Å; L624-Y663 HydrophobicContact CB-CD2 4.15Å; L624-Y663 HydrophobicContact CB-CE1 4.44Å; L624-Y663 HydrophobicContact CB-CG 3.73Å; L624-Y663 HydrophobicContact CD1-CD1 3.84Å; L624-Y663 HydrophobicContact CD1-CE1 3.83Å; L624-Y663 HydrophobicContact CD2-CE1 4.43Å; L624-Y663 HydrophobicContact CD2-CE2 4.43Å; L624-Y663 HydrophobicContact CG-CD1 4.32Å; L624-Y663 HydrophobicContact CG-CE1 4.47Å; H628-Y663 HydrophobicContact CB-CD2 4.15Å; H628-Y663 HydrophobicContact CB-CE2 4.24Å; R636-Y663 WeakPolarHBondContact CB-OH 3.39Å; I640-Y663 HydrophobicContact CD1-CE1 3.88Å; I640-Y663 WeakPolarHBondContact CD1-OH 3.35Å; I640-Y663 HydrophobicContact CG1-CE1 3.97Å; L660-Y663 HydrophobicContact CD2-CD1 4.19Å; L660-Y663 HydrophobicContact CD2-CE1 4.16Å; L660-Y663 WeakPolarHBondContact O-CD1 3.41Å; L660-Y663 PolarHBondContact O-N 3.35Å; L660-Y663 VanDerWaalsContact O-N 3.09Å; S661-Y663 PolarHBondContact O-N 3.15Å; Y663-K665 PolarHBondContact O-N 2.97Å; Y663-H666 PolarHBondContact O-N 3Å; Y663-E667 HydrophobicContact CE2-CB 4.2Å; Y663-E667 VanDerWaalsContact CE2-OE2 3.31Å; Y663-E667 WeakPolarHBondContact CE2-OE2 3.45Å; Y663-E667 PolarHBondContact OH-OE2 3.46Å; Y663-P672 WeakPolarHBondContact OH-CB 3.41Å
664	L	93.6	Very high	94.8	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.01	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-58.5	-20.2	-175.9	-71.6	170.5	0	0	0	114	I640 S661 L662 H666 E667 L707	I640-L664 HydrophobicContact CD1-CD2 3.92Å; S661-L664 VanDerWaalsContact O-CB 3.23Å; S661-L664 WeakPolarHBondContact O-CB 3.38Å; S661-L664 VanDerWaalsContact O-CG 3.31Å; S661-L664 WeakPolarHBondContact O-CG 3.32Å; S661-L664 PolarHBondContact O-N 2.96Å; L662-L664 PolarHBondContact O-N 3.31Å; L664-H666 PolarHBondContact O-N 2.99Å; L664-E667 HydrophobicContact CD2-CB 4Å; L664-E667 HydrophobicContact CD2-CG 4.16Å; L664-E667 WeakPolarHBondContact O-CB 3.49Å; L664-E667 PolarHBondContact O-N 3.28Å; L664-L707 HydrophobicContact CB-CD2 4.05Å; L664-L707 HydrophobicContact CD1-CD2 4.33Å
665	K	91.1	Very high	94.8	Very high	100 Å²	100	48.5 Å²	48.5	44%	0.435	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-57.3	-19.9	171.6	70.1	-173.6	168.5	166.9	0	114.4	L662 Y663 D706 S709	L662-K665 WeakPolarHBondContact O-CD 3.4Å; L662-K665 VanDerWaalsContact O-CE 3.31Å; L662-K665 WeakPolarHBondContact O-CE 3.28Å; L662-K665 VanDerWaalsContact O-CG 3.28Å; L662-K665 WeakPolarHBondContact O-CG 3.5Å; Y663-K665 PolarHBondContact O-N 2.97Å; K665-D706 VanDerWaalsContact CA-O 3.23Å; K665-D706 WeakPolarHBondContact CA-O 3.34Å; K665-D706 PolarHBondContact N-O 3.5Å; K665-S709 PolarHBondContact O-OG 3.31Å
666	H	93.2	Very high	94.7	Very high	107 Å²	107	42.6 Å²	42.6	50%	0.495	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-111.6	-1.7	177.9	-59.7	-46.5	0	0	0	113	Y663 L664	Y663-H666 PolarHBondContact O-N 3Å; L664-H666 PolarHBondContact O-N 2.99Å
667	E	93.9	Very high	94.5	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.206	C	C	.	.			trans	-75.8	143	-179	-176.5	62.3	-97.5	0	0	111.4	H628 R636 Y663 L664 E669 P672 V673 V710	H628-E667 IonicContact ND1-OE1 3.19Å; R636-E667 WeakPolarHBondContact CD-OE2 3.21Å; R636-E667 IonicContact CZ-OE1 2.62Å; R636-E667 IonicContact CZ-OE2 2.86Å; R636-E667 IonicContact NE-OE1 2.64Å; R636-E667 IonicContact NE-OE2 2.84Å; R636-E667 PolarHBondContact NE-OE2 3.29Å; R636-E667 IonicContact NH2-OE1 2.74Å; R636-E667 PolarHBondContact NH2-OE1 3.44Å; R636-E667 IonicContact NH2-OE2 2.85Å; R636-E667 PolarHBondContact NH2-OE2 3.04Å; Y663-E667 HydrophobicContact CE2-CB 4.2Å; Y663-E667 VanDerWaalsContact CE2-OE2 3.31Å; Y663-E667 WeakPolarHBondContact CE2-OE2 3.45Å; Y663-E667 PolarHBondContact OH-OE2 3.46Å; L664-E667 HydrophobicContact CD2-CB 4Å; L664-E667 HydrophobicContact CD2-CG 4.16Å; L664-E667 WeakPolarHBondContact O-CB 3.49Å; L664-E667 PolarHBondContact O-N 3.28Å; E667-E669 PolarHBondContact OE1-N 3.11Å; E667-E669 VanDerWaalsContact OE1-N 3.15Å; E667-P672 HydrophobicContact CG-CB 3.99Å; E667-P672 HydrophobicContact CG-CG 3.62Å; E667-P672 WeakPolarHBondContact OE2-CB 3.46Å; E667-P672 WeakPolarHBondContact OE2-CG 3.25Å; E667-V673 HydrophobicContact CB-CG2 4.2Å; E667-V673 HydrophobicContact CG-CG2 3.66Å; E667-V710 WeakPolarHBondContact O-CG1 3.36Å; E667-V710 VanDerWaalsContact O-CG2 3.22Å; E667-V710 WeakPolarHBondContact O-CG2 3.27Å
668	T	93.9	Very high	94.3	Very high	103 Å²	103	45.3 Å²	45.3	63%	0.632	23%	0.229	S	C	*	.			trans	-123.2	-19.2	180	58.4	0	0	0	0	113.2
669	E	94.9	Very high	94.3	Very high	91 Å²	91	44.1 Å²	44.1	43%	0.425	22%	0.222	S	C	.	.			trans	-85.9	138.9	-174.5	-58.1	-57.1	109.2	0	0	111.7	S633 R636 E667 M671 P672 V673	S633-E669 WeakPolarHBondContact OG-CB 3.31Å; R636-E669 VanDerWaalsContact NH2-CG 3.28Å; E667-E669 PolarHBondContact OE1-N 3.11Å; E667-E669 VanDerWaalsContact OE1-N 3.15Å; E669-M671 VanDerWaalsContact C-N 3.31Å; E669-M671 PolarHBondContact O-N 3.16Å; E669-P672 HydrophobicContact CB-CG 3.92Å; E669-P672 WeakPolarHBondContact O-CD 3.31Å; E669-P672 WeakPolarHBondContact O-CG 3.35Å; E669-V673 VanDerWaalsContact O-CG2 3.25Å; E669-V673 WeakPolarHBondContact O-CG2 3.2Å; E669-V673 PolarHBondContact O-N 3.08Å
670	I	93.8	Very high	94.2	Very high	77 Å²	77	41.8 Å²	41.8	40%	0.395	21%	0.209	S	C	.	.	H	α-helix	trans	-56.9	-41.4	-175.1	-176.5	174.4	0	0	0	113.1	Y399 V673 F674	Y399-I670 HydrophobicContact CE1-CG2 4.28Å; I670-V673 PolarHBondContact O-N 3.35Å; I670-F674 HydrophobicContact CD1-CE1 4.3Å; I670-F674 HydrophobicContact CD1-CE2 4.23Å; I670-F674 HydrophobicContact CD1-CZ 4.04Å; I670-F674 HydrophobicContact CG1-CD1 3.88Å; I670-F674 HydrophobicContact CG1-CD2 4.35Å; I670-F674 HydrophobicContact CG1-CE1 3.82Å; I670-F674 HydrophobicContact CG1-CE2 4.29Å; I670-F674 HydrophobicContact CG1-CG 4.16Å; I670-F674 HydrophobicContact CG1-CZ 4.04Å; I670-F674 VanDerWaalsContact O-CB 3.31Å; I670-F674 WeakPolarHBondContact O-CB 3.5Å; I670-F674 WeakPolarHBondContact O-CD1 3.01Å; I670-F674 WeakPolarHBondContact O-CG 3.32Å; I670-F674 PolarHBondContact O-N 2.87Å
671	M	94.7	Very high	93.9	Very high	20 Å²	20	44.4 Å²	44.4	10%	0.099	22%	0.223	C	C	.	.	H	α-helix	trans	-64.2	-56.9	-173.1	-75.5	-55.1	94.8	0	0	114.3	Y399 F401 E669 V673 F674 Q675	Y399-M671 HydrophobicContact CD1-CE 3.32Å; Y399-M671 HydrophobicContact CD1-CG 4.44Å; Y399-M671 HydrophobicContact CD1-SD 3.61Å; Y399-M671 HydrophobicContact CE1-CE 3.53Å; Y399-M671 HydrophobicContact CE1-SD 4.26Å; F401-M671 HydrophobicContact CE1-CB 4.03Å; F401-M671 HydrophobicContact CE1-CG 3.82Å; F401-M671 HydrophobicContact CE1-SD 3.83Å; F401-M671 HydrophobicContact CZ-CB 3.82Å; F401-M671 HydrophobicContact CZ-CG 3.98Å; F401-M671 HydrophobicContact CZ-SD 3.77Å; E669-M671 VanDerWaalsContact C-N 3.31Å; E669-M671 PolarHBondContact O-N 3.16Å; M671-V673 VanDerWaalsContact C-N 3.31Å; M671-V673 PolarHBondContact O-N 3.49Å; M671-F674 PolarHBondContact O-N 3.45Å; M671-Q675 WeakPolarHBondContact O-CB 3.44Å; M671-Q675 PolarHBondContact O-N 2.96Å
672	P	96.1	Very high	93.8	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.1	-32.6	175	21.4	-32.5	0	0	0	113.2	S633 R636 I640 Y663 E667 E669 Q675 G676	S633-P672 WeakPolarHBondContact OG-CD 3.3Å; R636-P672 HydrophobicContact CB-CB 4.11Å; I640-P672 HydrophobicContact CD1-CB 4.15Å; I640-P672 WeakPolarHBondContact CD1-O 3.46Å; Y663-P672 WeakPolarHBondContact OH-CB 3.41Å; E667-P672 HydrophobicContact CG-CB 3.99Å; E667-P672 HydrophobicContact CG-CG 3.62Å; E667-P672 WeakPolarHBondContact OE2-CB 3.46Å; E667-P672 WeakPolarHBondContact OE2-CG 3.25Å; E669-P672 HydrophobicContact CB-CG 3.92Å; E669-P672 WeakPolarHBondContact O-CD 3.31Å; E669-P672 WeakPolarHBondContact O-CG 3.35Å; P672-Q675 PolarHBondContact O-N 2.89Å; P672-G676 PolarHBondContact O-N 3.44Å
673	V	95	Very high	93.8	Very high	11 Å²	11	46 Å²	46	7%	0.067	23%	0.234	C	C	.	.	H	α-helix	trans	-63.3	-49.2	174	172.8	0	0	0	0	110.8	E667 E669 I670 M671 Q675 G676 L677 L707 V710	E667-V673 HydrophobicContact CB-CG2 4.2Å; E667-V673 HydrophobicContact CG-CG2 3.66Å; E669-V673 VanDerWaalsContact O-CG2 3.25Å; E669-V673 WeakPolarHBondContact O-CG2 3.2Å; E669-V673 PolarHBondContact O-N 3.08Å; I670-V673 PolarHBondContact O-N 3.35Å; M671-V673 VanDerWaalsContact C-N 3.31Å; M671-V673 PolarHBondContact O-N 3.49Å; V673-Q675 VanDerWaalsContact C-N 3.31Å; V673-Q675 PolarHBondContact O-N 2.82Å; V673-G676 PolarHBondContact O-N 3.06Å; V673-L677 HydrophobicContact CG1-CD1 4.35Å; V673-L677 WeakPolarHBondContact O-CG 3.36Å; V673-L677 PolarHBondContact O-N 3.02Å; V673-L707 HydrophobicContact CG1-CD2 4.44Å; V673-V710 HydrophobicContact CG2-CG1 3.94Å
674	F	93.7	Very high	93.6	Very high	96 Å²	96	48.1 Å²	48.1	42%	0.421	24%	0.242	S	C	.	.	H	α-helix	trans	-63.7	-39.4	177.7	-85.7	31.1	0	0	0	110.9	I670 M671 G676 L677 N678	I670-F674 HydrophobicContact CD1-CE1 4.3Å; I670-F674 HydrophobicContact CD1-CE2 4.23Å; I670-F674 HydrophobicContact CD1-CZ 4.04Å; I670-F674 HydrophobicContact CG1-CD1 3.88Å; I670-F674 HydrophobicContact CG1-CD2 4.35Å; I670-F674 HydrophobicContact CG1-CE1 3.82Å; I670-F674 HydrophobicContact CG1-CE2 4.29Å; I670-F674 HydrophobicContact CG1-CG 4.16Å; I670-F674 HydrophobicContact CG1-CZ 4.04Å; I670-F674 VanDerWaalsContact O-CB 3.31Å; I670-F674 WeakPolarHBondContact O-CB 3.5Å; I670-F674 WeakPolarHBondContact O-CD1 3.01Å; I670-F674 WeakPolarHBondContact O-CG 3.32Å; I670-F674 PolarHBondContact O-N 2.87Å; M671-F674 PolarHBondContact O-N 3.45Å; F674-G676 PolarHBondContact O-N 2.67Å; F674-L677 HydrophobicContact CD1-CD1 4.46Å; F674-L677 WeakPolarHBondContact O-CB 3.45Å; F674-L677 PolarHBondContact O-N 2.65Å; F674-N678 WeakPolarHBondContact O-CB 3.33Å; F674-N678 PolarHBondContact O-N 2.68Å; F674-N678 PolarHBondContact O-OD1 2.87Å
675	Q	96.4	Very high	93.5	Very high	11 Å²	11	52.1 Å²	52.1	5%	0.051	26%	0.259	C	S	.	.	H	α-helix	trans	-62.3	-45.5	175	-164.2	62.3	40	0	0	111.5	F405 A637 I640 N641 M671 P672 V673 L677 N678 E679	F405-Q675 HydrophobicContact CE2-CG 4.35Å; F405-Q675 VanDerWaalsContact CE2-OE1 3.25Å; A637-Q675 HydrophobicContact CB-CB 4.04Å; A637-Q675 HydrophobicContact CB-CG 4.37Å; I640-Q675 HydrophobicContact CB-CG 4.1Å; I640-Q675 HydrophobicContact CG2-CB 4.46Å; I640-Q675 HydrophobicContact CG2-CG 3.96Å; N641-Q675 HydrophobicContact CB-CG 4.2Å; N641-Q675 PolarHBondContact ND2-NE2 2.98Å; M671-Q675 WeakPolarHBondContact O-CB 3.44Å; M671-Q675 PolarHBondContact O-N 2.96Å; P672-Q675 PolarHBondContact O-N 2.89Å; V673-Q675 VanDerWaalsContact C-N 3.31Å; V673-Q675 PolarHBondContact O-N 2.82Å; Q675-L677 VanDerWaalsContact C-N 3.29Å; Q675-L677 PolarHBondContact O-N 2.9Å; Q675-N678 PolarHBondContact O-N 2.86Å; Q675-N678 VanDerWaalsContact O-N 3.11Å; Q675-E679 PolarHBondContact NE2-OE1 2.98Å; Q675-E679 WeakPolarHBondContact O-CG 3.48Å; Q675-E679 PolarHBondContact O-N 3.1Å
676	G	94.6	Very high	93.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-56.5	-42.7	174	0	0	0	0	0	112.6	P672 V673 F674 E679 L680	P672-G676 PolarHBondContact O-N 3.44Å; V673-G676 PolarHBondContact O-N 3.06Å; F674-G676 PolarHBondContact O-N 2.67Å; G676-E679 PolarHBondContact O-N 3.37Å; G676-L680 WeakPolarHBondContact O-CB 3.35Å; G676-L680 WeakPolarHBondContact O-CG 3.45Å; G676-L680 PolarHBondContact O-N 2.85Å
677	L	91.9	Very high	93.6	Very high	47 Å²	47	48.4 Å²	48.4	25%	0.246	25%	0.247	C	C	.	.	H	α-helix	trans	-62.8	-44.7	173.5	-73.1	170.9	0	0	0	112	V673 F674 Q675 E679 L680 I681 L707	V673-L677 HydrophobicContact CG1-CD1 4.35Å; V673-L677 WeakPolarHBondContact O-CG 3.36Å; V673-L677 PolarHBondContact O-N 3.02Å; F674-L677 HydrophobicContact CD1-CD1 4.46Å; F674-L677 WeakPolarHBondContact O-CB 3.45Å; F674-L677 PolarHBondContact O-N 2.65Å; Q675-L677 VanDerWaalsContact C-N 3.29Å; Q675-L677 PolarHBondContact O-N 2.9Å; L677-E679 VanDerWaalsContact C-N 3.25Å; L677-E679 PolarHBondContact O-N 3.08Å; L677-L680 PolarHBondContact O-N 3.16Å; L677-I681 HydrophobicContact CB-CD1 4.01Å; L677-I681 HydrophobicContact CD2-CD1 4.11Å; L677-I681 HydrophobicContact CD2-CG1 4.4Å; L677-I681 WeakPolarHBondContact O-CB 3.34Å; L677-I681 WeakPolarHBondContact O-CG1 3.44Å; L677-I681 PolarHBondContact O-N 2.96Å; L677-L707 HydrophobicContact CD2-CD1 3.26Å; L677-L707 HydrophobicContact CG-CD1 3.84Å
678	N	92.6	Very high	93.4	Very high	91 Å²	91	51.9 Å²	51.9	49%	0.487	26%	0.263	S	S	.	.	H	α-helix	trans	-63.4	-29.5	-179.7	-71.3	-12.1	0	0	0	112.7	F674 Q675 P682	F674-N678 WeakPolarHBondContact O-CB 3.33Å; F674-N678 PolarHBondContact O-N 2.68Å; F674-N678 PolarHBondContact O-OD1 2.87Å; Q675-N678 PolarHBondContact O-N 2.86Å; Q675-N678 VanDerWaalsContact O-N 3.11Å; N678-P682 WeakPolarHBondContact O-CD 3.41Å; N678-P682 WeakPolarHBondContact O-CG 3.33Å
679	E	94.3	Very high	93.5	Very high	31 Å²	31	55.3 Å²	55.3	15%	0.145	27%	0.269	C	S	.	.	H	α-helix	trans	-84.3	-38.1	175	-57.2	-55.9	158.2	0	0	112.9	I640 N641 F644 Q675 G676 L677	I640-E679 HydrophobicContact CG2-CG 3.84Å; N641-E679 PolarHBondContact ND2-OE1 2.81Å; F644-E679 HydrophobicContact CB-CB 4.29Å; F644-E679 HydrophobicContact CB-CG 4.12Å; F644-E679 WeakPolarHBondContact CB-OE2 3.09Å; F644-E679 HydrophobicContact CD1-CB 4.3Å; F644-E679 HydrophobicContact CD2-CB 3.5Å; F644-E679 HydrophobicContact CD2-CG 3.54Å; F644-E679 HydrophobicContact CE2-CB 3.8Å; F644-E679 HydrophobicContact CE2-CG 4.18Å; F644-E679 HydrophobicContact CG-CB 3.77Å; F644-E679 HydrophobicContact CG-CG 3.97Å; F644-E679 HydrophobicContact CZ-CB 4.32Å; Q675-E679 PolarHBondContact NE2-OE1 2.98Å; Q675-E679 WeakPolarHBondContact O-CG 3.48Å; Q675-E679 PolarHBondContact O-N 3.1Å; G676-E679 PolarHBondContact O-N 3.37Å; L677-E679 VanDerWaalsContact C-N 3.25Å; L677-E679 PolarHBondContact O-N 3.08Å
680	L	93.1	Very high	93.4	Very high	13 Å²	13	59.2 Å²	59.2	7%	0.068	28%	0.28	C	S	.	.	H	α-helix	trans	-83.7	-34.8	-174.6	-64.2	173.2	0	0	0	113.3	F644 L658 G676 L677 M683 F699	F644-L680 HydrophobicContact CE1-CD2 4.45Å; F644-L680 HydrophobicContact CZ-CD2 4.01Å; L658-L680 HydrophobicContact CD2-CD2 3.77Å; G676-L680 WeakPolarHBondContact O-CB 3.35Å; G676-L680 WeakPolarHBondContact O-CG 3.45Å; G676-L680 PolarHBondContact O-N 2.85Å; L677-L680 PolarHBondContact O-N 3.16Å; L680-M683 WeakPolarHBondContact O-CB 3.42Å; L680-M683 PolarHBondContact O-N 3.39Å; L680-F699 HydrophobicContact CB-CE1 4.4Å; L680-F699 HydrophobicContact CB-CZ 4.48Å; L680-F699 HydrophobicContact CD2-CZ 3.95Å; L680-F699 WeakPolarHBondContact O-CE1 3.32Å
681	I	92.1	Very high	93.3	Very high	57 Å²	57	63.4 Å²	63.4	29%	0.292	30%	0.303	S	S	.	.	H	α-helix	trans	-61	-48.3	-178.8	-69.9	174.4	0	0	0	112.5	L677 M683 Y684 K685	L677-I681 HydrophobicContact CB-CD1 4.01Å; L677-I681 HydrophobicContact CD2-CD1 4.11Å; L677-I681 HydrophobicContact CD2-CG1 4.4Å; L677-I681 WeakPolarHBondContact O-CB 3.34Å; L677-I681 WeakPolarHBondContact O-CG1 3.44Å; L677-I681 PolarHBondContact O-N 2.96Å; I681-M683 PolarHBondContact O-N 3.38Å; I681-M683 VanDerWaalsContact O-N 3.15Å; I681-Y684 VanDerWaalsContact CA-CE1 3.42Å; I681-Y684 HydrophobicContact CB-CE1 3.94Å; I681-Y684 HydrophobicContact CG1-CE1 3.73Å; I681-Y684 WeakPolarHBondContact CG1-OH 3.14Å; I681-Y684 HydrophobicContact CG2-CE1 4.15Å; I681-Y684 HydrophobicContact CG2-CE2 4.45Å; I681-Y684 PolarHBondContact O-N 2.62Å; I681-K685 HydrophobicContact CG2-CG 3.9Å; I681-K685 WeakPolarHBondContact O-CG 3.48Å; I681-K685 PolarHBondContact O-N 2.84Å
682	P	92.6	Very high	93.3	Very high	63 Å²	63	66.2 Å²	66.2	41%	0.409	32%	0.317	S	S	.	.	H	α-helix	trans	-55.4	-33.6	178.6	-28.4	37.3	0	0	0	113.2	N678 K685 L686	N678-P682 WeakPolarHBondContact O-CD 3.41Å; N678-P682 WeakPolarHBondContact O-CG 3.33Å; P682-K685 PolarHBondContact O-N 2.84Å; P682-L686 WeakPolarHBondContact O-CG 2.95Å; P682-L686 PolarHBondContact O-N 3.08Å
683	M	92.7	Very high	93.1	Very high	45 Å²	45	71 Å²	71	22%	0.222	34%	0.343	C	S	.	.	H	α-helix	trans	-61.4	-52.9	179.8	-58.7	-168.8	-179.9	0	0	112.1	F644 I654 L680 I681 K685 L686 M687 F699	F644-M683 HydrophobicContact CD1-CE 3.32Å; F644-M683 HydrophobicContact CE1-CE 3.29Å; F644-M683 HydrophobicContact CE1-SD 4.43Å; F644-M683 HydrophobicContact CG-CE 4.5Å; F644-M683 HydrophobicContact CZ-CE 4.46Å; I654-M683 HydrophobicContact CD1-CE 3.84Å; I654-M683 HydrophobicContact CD1-SD 4.34Å; L680-M683 WeakPolarHBondContact O-CB 3.42Å; L680-M683 PolarHBondContact O-N 3.39Å; I681-M683 PolarHBondContact O-N 3.38Å; I681-M683 VanDerWaalsContact O-N 3.15Å; M683-K685 VanDerWaalsContact C-N 3.31Å; M683-K685 PolarHBondContact O-N 3.2Å; M683-L686 WeakPolarHBondContact O-CB 3.47Å; M683-L686 PolarHBondContact O-N 3.33Å; M683-M687 HydrophobicContact CB-CE 4.35Å; M683-M687 WeakPolarHBondContact O-CG 3.4Å; M683-M687 PolarHBondContact O-N 3.4Å; M683-F699 HydrophobicContact CB-CE1 4.16Å; M683-F699 HydrophobicContact CB-CZ 3.97Å; M683-F699 HydrophobicContact CG-CZ 4.5Å; M683-F699 HydrophobicContact SD-CE2 4.43Å; M683-F699 HydrophobicContact SD-CZ 3.97Å
684	Y	90.6	Very high	92.9	Very high	44 Å²	44	78.2 Å²	78.2	17%	0.173	38%	0.375	C	S	.	.	H	α-helix	trans	-73.5	-24.8	178.4	72.8	-107.4	0	0	0	112.3	I681 L686 M687 E688 F699 K700	I681-Y684 VanDerWaalsContact CA-CE1 3.42Å; I681-Y684 HydrophobicContact CB-CE1 3.94Å; I681-Y684 HydrophobicContact CG1-CE1 3.73Å; I681-Y684 WeakPolarHBondContact CG1-OH 3.14Å; I681-Y684 HydrophobicContact CG2-CE1 4.15Å; I681-Y684 HydrophobicContact CG2-CE2 4.45Å; I681-Y684 PolarHBondContact O-N 2.62Å; Y684-L686 VanDerWaalsContact C-N 3.27Å; Y684-L686 PolarHBondContact O-N 3.27Å; Y684-M687 WeakPolarHBondContact O-CB 3.15Å; Y684-M687 PolarHBondContact O-N 3.15Å; Y684-M687 VanDerWaalsContact O-N 3.16Å; Y684-E688 WeakPolarHBondContact O-CG 3.29Å; Y684-E688 PolarHBondContact O-N 3.22Å; Y684-F699 HydrophobicContact CD1-CD1 4.11Å; Y684-F699 HydrophobicContact CD1-CE1 4.17Å; Y684-F699 HydrophobicContact CG-CD1 4.49Å; Y684-K700 HydrophobicContact CD1-CG 4.42Å; Y684-K700 HydrophobicContact CD2-CD 4.48Å; Y684-K700 VanDerWaalsContact CD2-CE 3.47Å; Y684-K700 HydrophobicContact CD2-CG 4.19Å; Y684-K700 HydrophobicContact CG-CG 4.08Å
685	K	91.5	Very high	92.8	Very high	86 Å²	86	76.8 Å²	76.8	37%	0.374	37%	0.374	S	S	.	.	H	α-helix	trans	-65.1	-30.9	170.9	-72.3	-71.5	167.2	-154.4	0	112.7	I681 P682 M683 E688 K689	I681-K685 HydrophobicContact CG2-CG 3.9Å; I681-K685 WeakPolarHBondContact O-CG 3.48Å; I681-K685 PolarHBondContact O-N 2.84Å; P682-K685 PolarHBondContact O-N 2.84Å; M683-K685 VanDerWaalsContact C-N 3.31Å; M683-K685 PolarHBondContact O-N 3.2Å; K685-E688 WeakPolarHBondContact CD-OE2 3.34Å; K685-E688 IonicContact NZ-OE1 3.35Å; K685-E688 PolarHBondContact NZ-OE1 3.31Å; K685-E688 IonicContact NZ-OE2 3.51Å; K685-E688 PolarHBondContact NZ-OE2 3.3Å; K685-K689 WeakPolarHBondContact O-CG 3.34Å
686	L	93.1	Very high	92.4	Very high	103 Å²	103	77.7 Å²	77.7	54%	0.539	38%	0.379	S	S	.	.	H	α-helix	trans	-71.9	-37.5	169.8	-69.4	171.6	0	0	0	111.6	P682 M683 Y684 K689 R690	P682-L686 WeakPolarHBondContact O-CG 2.95Å; P682-L686 PolarHBondContact O-N 3.08Å; M683-L686 WeakPolarHBondContact O-CB 3.47Å; M683-L686 PolarHBondContact O-N 3.33Å; Y684-L686 VanDerWaalsContact C-N 3.27Å; Y684-L686 PolarHBondContact O-N 3.27Å; L686-K689 PolarHBondContact O-N 3.11Å; L686-R690 WeakPolarHBondContact O-CG 3.13Å
687	M	93.1	Very high	92	Very high	27 Å²	27	81.4 Å²	81.4	13%	0.133	40%	0.402	C	S	.	.	H	α-helix	trans	-65.9	-42.8	176.7	-60.9	166.2	-166.8	0	0	112	M683 Y684 K689 R690 M692 V695 E696 F699	M683-M687 HydrophobicContact CB-CE 4.35Å; M683-M687 WeakPolarHBondContact O-CG 3.4Å; M683-M687 PolarHBondContact O-N 3.4Å; Y684-M687 WeakPolarHBondContact O-CB 3.15Å; Y684-M687 PolarHBondContact O-N 3.15Å; Y684-M687 VanDerWaalsContact O-N 3.16Å; M687-K689 PolarHBondContact O-N 3.4Å; M687-K689 VanDerWaalsContact O-N 3.1Å; M687-R690 CarbonylContact O-C 3.55Å; M687-R690 PolarHBondContact O-N 3.45Å; M687-M692 HydrophobicContact CB-CB 4.24Å; M687-V695 HydrophobicContact CE-CG1 4.02Å; M687-V695 HydrophobicContact SD-CB 4.5Å; M687-V695 HydrophobicContact SD-CG1 3.91Å; M687-E696 HydrophobicContact CB-CB 4.05Å; M687-E696 HydrophobicContact CB-CG 4.34Å; M687-F699 HydrophobicContact CE-CD2 4.25Å; M687-F699 HydrophobicContact CE-CG 4.36Å; M687-F699 HydrophobicContact SD-CB 4.32Å; M687-F699 HydrophobicContact SD-CG 4.48Å
688	E	91.6	Very high	91.9	Very high	74 Å²	74	86.3 Å²	86.3	35%	0.346	42%	0.423	S	S	.	.	H	α-helix	trans	-55.9	-28.2	176.1	-78.7	176.3	-177.5	0	0	112.8	Y684 K685 R690 E696 K700	Y684-E688 WeakPolarHBondContact O-CG 3.29Å; Y684-E688 PolarHBondContact O-N 3.22Å; K685-E688 WeakPolarHBondContact CD-OE2 3.34Å; K685-E688 IonicContact NZ-OE1 3.35Å; K685-E688 PolarHBondContact NZ-OE1 3.31Å; K685-E688 IonicContact NZ-OE2 3.51Å; K685-E688 PolarHBondContact NZ-OE2 3.3Å; E688-R690 VanDerWaalsContact C-N 3.34Å; E688-E696 HydrophobicContact CG-CG 4.38Å; E688-K700 WeakPolarHBondContact OE1-CE 3.47Å; E688-K700 IonicContact OE1-NZ 2.75Å; E688-K700 PolarHBondContact OE1-NZ 3.24Å
689	K	94.3	Very high	91.7	Very high	174 Å²	174	83.5 Å²	83.5	76%	0.757	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	3.6	180	-63.9	175.4	-174.5	177.7	0	112.8	K685 L686 M687	K685-K689 WeakPolarHBondContact O-CG 3.34Å; L686-K689 PolarHBondContact O-N 3.11Å; M687-K689 PolarHBondContact O-N 3.4Å; M687-K689 VanDerWaalsContact O-N 3.1Å
690	R	93	Very high	91.3	Very high	173 Å²	173	84.6 Å²	84.6	65%	0.653	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.4	165.9	-178.5	-63.4	-170.8	-167.8	-103.7	5.9	110.2	L686 M687 E688 M692	L686-R690 WeakPolarHBondContact O-CG 3.13Å; M687-R690 CarbonylContact O-C 3.55Å; M687-R690 PolarHBondContact O-N 3.45Å; E688-R690 VanDerWaalsContact C-N 3.34Å; R690-M692 HydrophobicContact CB-CG 4Å; R690-M692 HydrophobicContact CB-SD 4.29Å; R690-M692 PolarHBondContact O-N 3.26Å
691	D	93.3	Very high	90.8	Very high	166 Å²	166	86.8 Å²	86.8	89%	0.888	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	64.7	173.9	-167.7	20.6	0	0	0	110.7
692	M	94.1	Very high	90.1	Very high	79 Å²	79	85.8 Å²	85.8	39%	0.389	43%	0.427	S	S	.	.			trans	-127.1	34.9	-175.3	-65.4	-173	75.5	0	0	112.1	M687 R690 E694 V695 E696	M687-M692 HydrophobicContact CB-CB 4.24Å; R690-M692 HydrophobicContact CB-CG 4Å; R690-M692 HydrophobicContact CB-SD 4.29Å; R690-M692 PolarHBondContact O-N 3.26Å; M692-E694 VanDerWaalsContact C-N 3.3Å; M692-E694 PolarHBondContact O-N 3.31Å; M692-V695 HydrophobicContact CE-CG2 4.38Å; M692-V695 PolarHBondContact O-N 3.23Å; M692-E696 WeakPolarHBondContact O-CB 3.44Å; M692-E696 PolarHBondContact O-N 2.74Å
693	N	90.5	Very high	89.4	Confident	101 Å²	101	83.7 Å²	83.7	54%	0.54	41%	0.413	S	S	.	.	H	α-helix	trans	-58.5	-36.4	-172	-173.7	48.3	0	0	0	113.6	T697	N693-T697 WeakPolarHBondContact O-CB 3.33Å; N693-T697 PolarHBondContact O-N 2.64Å; N693-T697 PolarHBondContact O-OG1 3.41Å; N693-T697 PolarHBondContact OD1-OG1 2.95Å
694	E	92	Very high	88.5	Confident	161 Å²	161	89 Å²	89	75%	0.752	43%	0.431	S	S	*	.	H	α-helix	trans	-62.5	-47.1	177.9	-66.9	-176	178.9	0	0	112.1	M692 Q698	M692-E694 VanDerWaalsContact C-N 3.3Å; M692-E694 PolarHBondContact O-N 3.31Å; E694-Q698 WeakPolarHBondContact O-CG 3.49Å; E694-Q698 PolarHBondContact O-N 3.42Å
695	V	90.8	Very high	87.7	Confident	66 Å²	66	96 Å²	96	40%	0.4	46%	0.457	S	S	.	.	H	α-helix	trans	-70	-43	-179.8	-176.8	0	0	0	0	110.3	M687 M692 T697 Q698 F699	M687-V695 HydrophobicContact CE-CG1 4.02Å; M687-V695 HydrophobicContact SD-CB 4.5Å; M687-V695 HydrophobicContact SD-CG1 3.91Å; M692-V695 HydrophobicContact CE-CG2 4.38Å; M692-V695 PolarHBondContact O-N 3.23Å; V695-T697 VanDerWaalsContact C-N 3.33Å; V695-T697 PolarHBondContact O-N 3.44Å; V695-Q698 PolarHBondContact O-N 3.41Å; V695-F699 VanDerWaalsContact O-CB 3.3Å; V695-F699 WeakPolarHBondContact O-CB 3.45Å; V695-F699 PolarHBondContact O-N 2.9Å
696	E	88.9	Confident	86.6	Confident	30 Å²	30	94 Å²	94	14%	0.14	45%	0.45	C	S	.	.	H	α-helix	trans	-57.3	-47	176.1	-172.9	-159.6	144	0	0	111.7	M687 E688 M692 Q698 F699 K700	M687-E696 HydrophobicContact CB-CB 4.05Å; M687-E696 HydrophobicContact CB-CG 4.34Å; E688-E696 HydrophobicContact CG-CG 4.38Å; M692-E696 WeakPolarHBondContact O-CB 3.44Å; M692-E696 PolarHBondContact O-N 2.74Å; E696-Q698 PolarHBondContact O-N 2.83Å; E696-F699 PolarHBondContact O-N 3.31Å; E696-K700 HydrophobicContact CG-CD 4.15Å; E696-K700 PolarHBondContact O-N 3.18Å; E696-K700 VanDerWaalsContact OE1-CE 3.29Å; E696-K700 WeakPolarHBondContact OE1-CE 3.34Å; E696-K700 IonicContact OE1-NZ 2.84Å; E696-K700 PolarHBondContact OE1-NZ 3.36Å
697	T	86.9	Confident	85.4	Confident	79 Å²	79	89.5 Å²	89.5	49%	0.485	43%	0.426	S	S	.	.	H	α-helix	trans	-67	-24.8	-178.2	-58.5	0	0	0	0	112	N693 V695 P701	N693-T697 WeakPolarHBondContact O-CB 3.33Å; N693-T697 PolarHBondContact O-N 2.64Å; N693-T697 PolarHBondContact O-OG1 3.41Å; N693-T697 PolarHBondContact OD1-OG1 2.95Å; V695-T697 VanDerWaalsContact C-N 3.33Å; V695-T697 PolarHBondContact O-N 3.44Å; T697-P701 WeakPolarHBondContact O-CD 3.33Å; T697-P701 WeakPolarHBondContact O-CG 3.21Å
698	Q	89.4	Confident	83.5	Confident	149 Å²	149	89.4 Å²	89.4	70%	0.696	43%	0.432	S	S	*	.	H	α-helix	trans	-84	-38.2	172	-69	-178.6	13.9	0	0	112.6	E694 V695 E696 P701 A702	E694-Q698 WeakPolarHBondContact O-CG 3.49Å; E694-Q698 PolarHBondContact O-N 3.42Å; V695-Q698 PolarHBondContact O-N 3.41Å; E696-Q698 PolarHBondContact O-N 2.83Å; Q698-P701 WeakPolarHBondContact O-CD 3.46Å; Q698-A702 PolarHBondContact O-N 2.9Å
699	F	87.9	Confident	81.7	Confident	32 Å²	32	89.4 Å²	89.4	14%	0.14	44%	0.44	C	S	.	.	H	α-helix	trans	-71	-45.9	-174.8	-165.2	-88.9	0	0	0	112.3	L658 L680 M683 Y684 M687 V695 E696 A702 C703	L658-F699 HydrophobicContact CD2-CE2 4.38Å; L680-F699 HydrophobicContact CB-CE1 4.4Å; L680-F699 HydrophobicContact CB-CZ 4.48Å; L680-F699 HydrophobicContact CD2-CZ 3.95Å; L680-F699 WeakPolarHBondContact O-CE1 3.32Å; M683-F699 HydrophobicContact CB-CE1 4.16Å; M683-F699 HydrophobicContact CB-CZ 3.97Å; M683-F699 HydrophobicContact CG-CZ 4.5Å; M683-F699 HydrophobicContact SD-CE2 4.43Å; M683-F699 HydrophobicContact SD-CZ 3.97Å; Y684-F699 HydrophobicContact CD1-CD1 4.11Å; Y684-F699 HydrophobicContact CD1-CE1 4.17Å; Y684-F699 HydrophobicContact CG-CD1 4.49Å; M687-F699 HydrophobicContact CE-CD2 4.25Å; M687-F699 HydrophobicContact CE-CG 4.36Å; M687-F699 HydrophobicContact SD-CB 4.32Å; M687-F699 HydrophobicContact SD-CG 4.48Å; V695-F699 VanDerWaalsContact O-CB 3.3Å; V695-F699 WeakPolarHBondContact O-CB 3.45Å; V695-F699 PolarHBondContact O-N 2.9Å; E696-F699 PolarHBondContact O-N 3.31Å; F699-A702 WeakPolarHBondContact O-CB 3.38Å; F699-A702 PolarHBondContact O-N 3.49Å; F699-A702 VanDerWaalsContact O-N 3.11Å; F699-C703 VanDerWaalsContact CD1-SG 3.6Å; F699-C703 WeakPolarHBondContact CE1-SG 3.3Å; F699-C703 PolarHBondContact O-N 3.19Å; F699-C703 PolarHBondContact O-SG 3.42Å
700	K	86.2	Confident	79.6	Confident	54 Å²	54	83.3 Å²	83.3	24%	0.235	42%	0.418	C	S	.	.	H	α-helix	trans	-57.9	-47.9	-179.4	-77.2	176.3	173.8	176.5	0	113.1	Y684 E688 E696 A702 C703 R704	Y684-K700 HydrophobicContact CD1-CG 4.42Å; Y684-K700 HydrophobicContact CD2-CD 4.48Å; Y684-K700 VanDerWaalsContact CD2-CE 3.47Å; Y684-K700 HydrophobicContact CD2-CG 4.19Å; Y684-K700 HydrophobicContact CG-CG 4.08Å; E688-K700 WeakPolarHBondContact OE1-CE 3.47Å; E688-K700 IonicContact OE1-NZ 2.75Å; E688-K700 PolarHBondContact OE1-NZ 3.24Å; E696-K700 HydrophobicContact CG-CD 4.15Å; E696-K700 PolarHBondContact O-N 3.18Å; E696-K700 VanDerWaalsContact OE1-CE 3.29Å; E696-K700 WeakPolarHBondContact OE1-CE 3.34Å; E696-K700 IonicContact OE1-NZ 2.84Å; E696-K700 PolarHBondContact OE1-NZ 3.36Å; K700-A702 VanDerWaalsContact C-N 3.34Å; K700-A702 PolarHBondContact O-N 3.1Å; K700-C703 PolarHBondContact O-N 3.23Å; K700-R704 WeakPolarHBondContact O-CG 3.39Å; K700-R704 PolarHBondContact O-N 2.93Å; K700-R704 VanDerWaalsContact O-N 3.08Å
701	P	81.5	Confident	77.1	Confident	60 Å²	60	79.5 Å²	79.5	39%	0.39	42%	0.417	S	S	.	.	H	α-helix	trans	-66.3	-30.8	174.8	-23.9	35.9	0	0	0	114.1	T697 Q698 R704 R705	T697-P701 WeakPolarHBondContact O-CD 3.33Å; T697-P701 WeakPolarHBondContact O-CG 3.21Å; Q698-P701 WeakPolarHBondContact O-CD 3.46Å; P701-R704 PolarHBondContact O-N 2.97Å; P701-R705 WeakPolarHBondContact O-CB 3.47Å; P701-R705 PolarHBondContact O-N 3.47Å
702	A	78.3	Confident	74.2	Confident	36 Å²	36	76.8 Å²	76.8	30%	0.298	41%	0.409	S	S	.	.	H	α-helix	trans	-64.2	-50.1	175	0	0	0	0	0	110.5	Q698 F699 K700 R704 R705 D706	Q698-A702 PolarHBondContact O-N 2.9Å; F699-A702 WeakPolarHBondContact O-CB 3.38Å; F699-A702 PolarHBondContact O-N 3.49Å; F699-A702 VanDerWaalsContact O-N 3.11Å; K700-A702 VanDerWaalsContact C-N 3.34Å; K700-A702 PolarHBondContact O-N 3.1Å; A702-R704 VanDerWaalsContact C-N 3.28Å; A702-R704 PolarHBondContact O-N 2.86Å; A702-R705 WeakPolarHBondContact O-CB 3.47Å; A702-R705 PolarHBondContact O-N 3.21Å; A702-D706 PolarHBondContact O-N 2.63Å
703	C	77.1	Confident	71.1	Confident	18 Å²	18	74.8 Å²	74.8	12%	0.122	41%	0.409	C	S	.	.	H	α-helix	trans	-56.5	-42.9	174.2	-63.2	0	0	0	0	112.1	F699 K700 R705 L707	F699-C703 VanDerWaalsContact CD1-SG 3.6Å; F699-C703 WeakPolarHBondContact CE1-SG 3.3Å; F699-C703 PolarHBondContact O-N 3.19Å; F699-C703 PolarHBondContact O-SG 3.42Å; K700-C703 PolarHBondContact O-N 3.23Å; C703-R705 VanDerWaalsContact C-N 3.32Å; C703-R705 PolarHBondContact O-N 3.31Å; C703-L707 WeakPolarHBondContact O-CB 3.48Å; C703-L707 WeakPolarHBondContact O-CG 3.49Å; C703-L707 PolarHBondContact O-N 3.09Å
704	R	74.3	Confident	68.2	Low	158 Å²	158	72 Å²	72	60%	0.596	41%	0.405	S	S	*	.	H	α-helix	trans	-67.1	-29.7	176.5	-73.7	-178.4	-176.2	-170.6	-0.2	113.6	K700 P701 A702 G708	K700-R704 WeakPolarHBondContact O-CG 3.39Å; K700-R704 PolarHBondContact O-N 2.93Å; K700-R704 VanDerWaalsContact O-N 3.08Å; P701-R704 PolarHBondContact O-N 2.97Å; A702-R704 VanDerWaalsContact C-N 3.28Å; A702-R704 PolarHBondContact O-N 2.86Å; R704-G708 WeakPolarHBondContact O-CA 2.96Å; R704-G708 PolarHBondContact O-N 3.02Å
705	R	74	Confident	65.3	Low	190 Å²	190	70 Å²	70	72%	0.717	41%	0.406	S	S	*	.	H	α-helix	trans	-74.8	-45	178.8	-173.4	-172.4	-53.3	167.8	6.7	110.5	P701 A702 C703 L707 G708	P701-R705 WeakPolarHBondContact O-CB 3.47Å; P701-R705 PolarHBondContact O-N 3.47Å; A702-R705 WeakPolarHBondContact O-CB 3.47Å; A702-R705 PolarHBondContact O-N 3.21Å; C703-R705 VanDerWaalsContact C-N 3.32Å; C703-R705 PolarHBondContact O-N 3.31Å; R705-L707 VanDerWaalsContact C-N 3.29Å; R705-L707 PolarHBondContact O-N 3.38Å; R705-G708 PolarHBondContact O-N 2.82Å
706	D	69.2	Low	62.6	Low	44 Å²	44	75.4 Å²	75.4	24%	0.235	43%	0.427	C	S	.	.	H	α-helix	trans	-72.5	-26.5	-177.1	-63.2	-22.4	0	0	0	111.7	K665 A702	K665-D706 VanDerWaalsContact CA-O 3.23Å; K665-D706 WeakPolarHBondContact CA-O 3.34Å; K665-D706 PolarHBondContact N-O 3.5Å; A702-D706 PolarHBondContact O-N 2.63Å
707	L	67.5	Low	60.1	Low	8 Å²	8	80.6 Å²	80.6	4%	0.042	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-6.2	174.6	-59.9	172.6	0	0	0	113.6	L664 V673 L677 C703 R705 S709 V710 C711	L664-L707 HydrophobicContact CB-CD2 4.05Å; L664-L707 HydrophobicContact CD1-CD2 4.33Å; V673-L707 HydrophobicContact CG1-CD2 4.44Å; L677-L707 HydrophobicContact CD2-CD1 3.26Å; L677-L707 HydrophobicContact CG-CD1 3.84Å; C703-L707 WeakPolarHBondContact O-CB 3.48Å; C703-L707 WeakPolarHBondContact O-CG 3.49Å; C703-L707 PolarHBondContact O-N 3.09Å; R705-L707 VanDerWaalsContact C-N 3.29Å; R705-L707 PolarHBondContact O-N 3.38Å; L707-S709 PolarHBondContact O-N 3.43Å; L707-V710 WeakPolarHBondContact O-CB 3.1Å; L707-V710 PolarHBondContact O-N 2.68Å; L707-V710 VanDerWaalsContact O-N 3.1Å; L707-C711 PolarHBondContact O-N 3.48Å
708	G	52.2	Low	57.4	Low	25 Å²	25	87.4 Å²	87.4	26%	0.258	47%	0.467	S	S	.	.	H	α-helix	trans	-71.7	-28.5	-168.9	0	0	0	0	0	114.6	R704 R705 V710 C712	R704-G708 WeakPolarHBondContact O-CA 2.96Å; R704-G708 PolarHBondContact O-N 3.02Å; R705-G708 PolarHBondContact O-N 2.82Å; G708-V710 VanDerWaalsContact C-N 3.32Å; G708-C712 WeakPolarHBondContact O-CB 3.4Å; G708-C712 PolarHBondContact O-N 3.21Å; G708-C712 PolarHBondContact O-SG 2.87Å
709	S	53.9	Low	54.5	Low	74 Å²	74	91.7 Å²	91.7	52%	0.517	48%	0.477	S	S	.	.	H	α-helix	trans	-69.7	-31.8	170.3	47.6	0	0	0	0	112.1	K665 L707	K665-S709 PolarHBondContact O-OG 3.31Å; L707-S709 PolarHBondContact O-N 3.43Å
710	V	50.2	Low	51.9	Low	47 Å²	47	96.1 Å²	96.1	29%	0.285	50%	0.502	S	S	.	.	H	α-helix	trans	-81	-39.9	-176.5	-172.9	0	0	0	0	111.2	E667 V673 L707 G708	E667-V710 WeakPolarHBondContact O-CG1 3.36Å; E667-V710 VanDerWaalsContact O-CG2 3.22Å; E667-V710 WeakPolarHBondContact O-CG2 3.27Å; V673-V710 HydrophobicContact CG2-CG1 3.94Å; L707-V710 WeakPolarHBondContact O-CB 3.1Å; L707-V710 PolarHBondContact O-N 2.68Å; L707-V710 VanDerWaalsContact O-N 3.1Å; G708-V710 VanDerWaalsContact C-N 3.32Å
711	C	40.6	Very low	49	Very low	93 Å²	93	97.2 Å²	97.2	63%	0.628	53%	0.528	S	S	*	.	H	α-helix	trans	-79.9	-18.9	178.6	-65.8	0	0	0	0	114.6	L707	L707-C711 PolarHBondContact O-N 3.48Å
712	C	32.5	Very low	46.6	Very low	108 Å²	108	101.9 Å²	101.9	73%	0.73	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	12.9	-173.4	-65.6	0	0	0	0	115.2	G708 G714	G708-C712 WeakPolarHBondContact O-CB 3.4Å; G708-C712 PolarHBondContact O-N 3.21Å; G708-C712 PolarHBondContact O-SG 2.87Å; C712-G714 PolarHBondContact O-N 3.13Å; C712-G714 VanDerWaalsContact O-N 3.09Å
713	G	29.9	Very low	44.1	Very low	37 Å²	37	106.1 Å²	106.1	38%	0.381	57%	0.57	S	S	.	*			trans	-71.1	98.9	-177.3	0	0	0	0	0	114.4	H717	G713-H717 VanDerWaalsContact O-CB 3.3Å; G713-H717 WeakPolarHBondContact O-CB 3.21Å; G713-H717 PolarHBondContact O-CD2 2.72Å
714	G	29	Very low	41.8	Very low	44 Å²	44	114.6 Å²	114.6	45%	0.454	61%	0.613	S	S	.	*			trans	82.4	149.8	154.8	0	0	0	0	0	118.7	C712 E716 H717	C712-G714 PolarHBondContact O-N 3.13Å; C712-G714 VanDerWaalsContact O-N 3.09Å; G714-E716 PolarHBondContact O-N 3.23Å; G714-E716 VanDerWaalsContact O-N 3.13Å; G714-H717 PolarHBondContact O-N 3.18Å; G714-H717 VanDerWaalsContact O-N 3.17Å
715	P	31.6	Very low	40.2	Very low	119 Å²	119	112.5 Å²	112.5	77%	0.773	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-20	-177.1	-18.8	31.2	0	0	0	114.9
716	E	32.9	Very low	38.4	Very low	179 Å²	179	108.4 Å²	108.4	84%	0.836	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-18.6	178.7	-70.9	-173.9	154.9	0	0	113.5	G714	G714-E716 PolarHBondContact O-N 3.23Å; G714-E716 VanDerWaalsContact O-N 3.13Å
717	H	37.5	Very low	36.7	Very low	138 Å²	138	111.9 Å²	111.9	64%	0.639	63%	0.629	S	S	*	*	S	Bend	trans	-96.6	2.7	-179.5	-71.2	-72.6	0	0	0	114.8	G713 G714 R719	G713-H717 VanDerWaalsContact O-CB 3.3Å; G713-H717 WeakPolarHBondContact O-CB 3.21Å; G713-H717 PolarHBondContact O-CD2 2.72Å; G714-H717 PolarHBondContact O-N 3.18Å; G714-H717 VanDerWaalsContact O-N 3.17Å; H717-R719 PolarHBondContact O-N 2.88Å
718	R	30.4	Very low	34.9	Very low	223 Å²	223	118.1 Å²	118.1	84%	0.842	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	8.1	175.4	-75.1	-169.2	-165.6	-172.5	4.9	115.3
719	R	28.6	Very low	33.8	Very low	238 Å²	238	123.9 Å²	123.9	90%	0.898	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-5.1	176.2	-73.8	-170.5	-172.3	-171.7	3.7	114.5	H717 G721	H717-R719 PolarHBondContact O-N 2.88Å; R719-G721 VanDerWaalsContact C-N 3.32Å; R719-G721 PolarHBondContact O-N 3.45Å; R719-G721 VanDerWaalsContact O-N 3.1Å
720	L	32.1	Very low	32.5	Very low	126 Å²	126	127.2 Å²	127.2	66%	0.66	70%	0.701	S	S	*	*			trans	-85.5	80.3	172.2	-67.5	168.4	0	0	0	108.6	F722	L720-F722 HydrophobicContact CB-CD2 4.33Å; L720-F722 PolarHBondContact O-N 3.1Å
721	G	26.8	Very low	31.2	Very low	77 Å²	77	132.9 Å²	132.9	79%	0.794	73%	0.73	S	S	*	*			trans	-67.4	67.4	-178.8	0	0	0	0	0	113.8	R719	R719-G721 VanDerWaalsContact C-N 3.32Å; R719-G721 PolarHBondContact O-N 3.45Å; R719-G721 VanDerWaalsContact O-N 3.1Å
722	F	31.1	Very low	30.5	Very low	158 Å²	158	136 Å²	136	69%	0.693	74%	0.738	S	S	*	*			trans	-101.2	112.7	167.5	-69.5	-77.3	0	0	0	109.2	L720 L724	L720-F722 HydrophobicContact CB-CD2 4.33Å; L720-F722 PolarHBondContact O-N 3.1Å; F722-L724 PolarHBondContact O-N 2.89Å
723	S	24.1	Very low	30.3	Very low	124 Å²	124	138.3 Å²	138.3	87%	0.867	74%	0.739	S	S	*	*			trans	-67.9	116.6	164.6	-178.6	0	0	0	0	108
724	L	30	Very low	30.4	Very low	197 Å²	197	147.5 Å²	147.5	100%	1.031	77%	0.771	S	S	*	*			trans	-63.8	0	167.9	-83.7	163.4	0	0	0	112.6	F722	F722-L724 PolarHBondContact O-N 2.89Å

Retrieved 724 of 724 residues in 378.8 ms (Link to these results)

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