A0A096MTB7_PAPAN Loading...

2',5'-phosphodiesterase 12

AlphaFold DB (F6ZR60), UniProt , Accession A0A096MTB7, Species PAPAN (Papio anubis, Olive baboon), Gene PDE12, Length 609 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	33.7	Very low	34.1	Very low	231 Å²	231	142.9 Å²	142.9	100%	1.138	75%	0.752	S	S	*	*				0	78.4	0	-171.6	-167	-68.1	0	0	108.7
2	W	23.1	Very low	34.7	Very low	266 Å²	266	146.7 Å²	146.7	100%	1.008	75%	0.749	S	S	*	*			trans	-150.9	117.8	162.8	-80.6	85.5	0	0	0	105.5
3	R	29.6	Very low	35.1	Very low	211 Å²	211	143.7 Å²	143.7	80%	0.796	74%	0.742	S	S	*	*			trans	-109.2	127.6	-175.3	-75.2	-177.6	174.3	-170.8	-0.3	108	P5	R3-P5 WeakPolarHBondContact O-CD 3.46Å
4	L	30.6	Very low	35.8	Very low	181 Å²	181	141.3 Å²	141.3	95%	0.948	73%	0.729	S	S	*	*			trans	-76.9	122.3	168.1	-83.2	156.5	0	0	0	109.7
5	P	34.7	Very low	36.1	Very low	126 Å²	126	141.1 Å²	141.1	82%	0.818	72%	0.715	S	S	*	*			trans	-99.3	110.3	-179.7	33.3	-23.6	0	0	0	110.6	R3	R3-P5 WeakPolarHBondContact O-CD 3.46Å
6	G	32.6	Very low	36.3	Very low	55 Å²	55	136.8 Å²	136.8	57%	0.567	70%	0.698	S	S	*	*	S	Bend	trans	-160.7	-54.9	172.9	0	0	0	0	0	112.8
7	A	35.2	Very low	36.4	Very low	78 Å²	78	132.9 Å²	132.9	65%	0.645	69%	0.691	S	S	*	*	H	α-helix	trans	-78	-29.7	-177.7	0	0	0	0	0	114	A9	A7-A9 VanDerWaalsContact C-N 3.3Å; A7-A9 PolarHBondContact O-N 3.24Å
8	R	39.4	Very low	36.5	Very low	176 Å²	176	132.6 Å²	132.6	66%	0.664	69%	0.69	S	S	*	*	H	α-helix	trans	-69.3	-22.8	-179	-83.9	-175.3	173.4	-171.2	-2.6	114.1	R12	R8-R12 WeakPolarHBondContact O-CB 3.28Å; R8-R12 PolarHBondContact O-N 2.93Å; R8-R12 VanDerWaalsContact O-N 3.1Å
9	A	35.5	Very low	36.7	Very low	65 Å²	65	133 Å²	133	54%	0.537	69%	0.688	S	S	.	*	H	α-helix	trans	-73.5	-42.7	-178.2	0	0	0	0	0	111.7	A7 R12 V13	A7-A9 VanDerWaalsContact C-N 3.3Å; A7-A9 PolarHBondContact O-N 3.24Å; A9-R12 PolarHBondContact O-N 2.94Å; A9-V13 WeakPolarHBondContact O-CG2 3.34Å; A9-V13 PolarHBondContact O-N 3.49Å
10	A	39	Very low	36.5	Very low	65 Å²	65	134.7 Å²	134.7	54%	0.537	69%	0.69	S	S	.	*	H	α-helix	trans	-66.7	-41.9	177.6	0	0	0	0	0	112.3	R12 V13 I14	A10-R12 VanDerWaalsContact C-N 3.35Å; A10-R12 PolarHBondContact O-N 3.29Å; A10-V13 PolarHBondContact O-N 2.76Å; A10-I14 PolarHBondContact O-N 3.22Å
11	L	42.3	Very low	36.4	Very low	118 Å²	118	133.6 Å²	133.6	62%	0.618	69%	0.685	S	S	*	*	H	α-helix	trans	-67	-31.7	175.5	-79.2	158.1	0	0	0	112.9	R15	L11-R15 VanDerWaalsContact O-CB 3.3Å; L11-R15 WeakPolarHBondContact O-CB 3.23Å; L11-R15 PolarHBondContact O-N 3.09Å
12	R	40.6	Very low	36.5	Very low	188 Å²	188	125 Å²	125	71%	0.709	65%	0.648	S	S	*	*	H	α-helix	trans	-68	-37.7	174.2	-120.3	178.5	178.4	-177.2	-2.7	112.2	R8 A9 A10 I14 R15 T16	R8-R12 WeakPolarHBondContact O-CB 3.28Å; R8-R12 PolarHBondContact O-N 2.93Å; R8-R12 VanDerWaalsContact O-N 3.1Å; A9-R12 PolarHBondContact O-N 2.94Å; A10-R12 VanDerWaalsContact C-N 3.35Å; A10-R12 PolarHBondContact O-N 3.29Å; R12-I14 VanDerWaalsContact C-N 3.3Å; R12-I14 PolarHBondContact O-N 3.07Å; R12-R15 PolarHBondContact O-N 3.11Å; R12-T16 WeakPolarHBondContact O-CB 3.25Å; R12-T16 PolarHBondContact O-N 3.17Å; R12-T16 PolarHBondContact O-OG1 3.49Å
13	V	40.7	Very low	37.2	Very low	108 Å²	108	117.8 Å²	117.8	66%	0.655	64%	0.635	S	S	*	*	H	α-helix	trans	-64.9	-36.8	179.4	174.5	0	0	0	0	110.9	A9 A10 A17	A9-V13 WeakPolarHBondContact O-CG2 3.34Å; A9-V13 PolarHBondContact O-N 3.49Å; A10-V13 PolarHBondContact O-N 2.76Å; V13-A17 PolarHBondContact O-N 2.82Å
14	I	44.2	Very low	37.2	Very low	110 Å²	110	111.1 Å²	111.1	56%	0.564	63%	0.625	S	S	*	*	H	α-helix	trans	-72.8	-40.9	174.1	-61.5	172.4	0	0	0	111.3	A10 R12 T16 A17 L18	A10-I14 PolarHBondContact O-N 3.22Å; R12-I14 VanDerWaalsContact C-N 3.3Å; R12-I14 PolarHBondContact O-N 3.07Å; I14-T16 PolarHBondContact O-N 3.27Å; I14-A17 PolarHBondContact O-N 3.45Å; I14-L18 HydrophobicContact CG2-CD1 4.44Å; I14-L18 PolarHBondContact O-N 3.13Å
15	R	41.2	Very low	37.1	Very low	138 Å²	138	107.5 Å²	107.5	52%	0.521	60%	0.603	S	S	.	*	H	α-helix	trans	-64.9	-38.3	178.9	-159.8	173.6	-175.9	152.7	7.1	112.8	L11 R12 A17 L18 E19 E231	L11-R15 VanDerWaalsContact O-CB 3.3Å; L11-R15 WeakPolarHBondContact O-CB 3.23Å; L11-R15 PolarHBondContact O-N 3.09Å; R12-R15 PolarHBondContact O-N 3.11Å; R15-A17 VanDerWaalsContact C-N 3.31Å; R15-A17 PolarHBondContact O-N 3.32Å; R15-L18 PolarHBondContact O-N 3.27Å; R15-E19 PolarHBondContact O-N 3.38Å; R15-E231 IonicContact NH2-OE1 3.4Å; R15-E231 IonicContact NH2-OE2 3.69Å
16	T	38	Very low	36.9	Very low	73 Å²	73	105 Å²	105	45%	0.448	59%	0.593	S	S	.	*	H	α-helix	trans	-74.8	-20.3	178.3	-31.8	0	0	0	0	112.7	R12 I14	R12-T16 WeakPolarHBondContact O-CB 3.25Å; R12-T16 PolarHBondContact O-N 3.17Å; R12-T16 PolarHBondContact O-OG1 3.49Å; I14-T16 PolarHBondContact O-N 3.27Å
17	A	37.9	Very low	36.8	Very low	70 Å²	70	109.7 Å²	109.7	58%	0.579	60%	0.6	S	S	*	*	H	α-helix	trans	-77.6	-27.3	174.3	0	0	0	0	0	112.5	V13 I14 R15	V13-A17 PolarHBondContact O-N 2.82Å; I14-A17 PolarHBondContact O-N 3.45Å; R15-A17 VanDerWaalsContact C-N 3.31Å; R15-A17 PolarHBondContact O-N 3.32Å
18	L	38.8	Very low	36.3	Very low	127 Å²	127	110.8 Å²	110.8	67%	0.665	60%	0.603	S	S	*	*	H	α-helix	trans	-86.6	-26.8	177.6	-76.5	160.3	0	0	0	113.2	I14 R15 K20	I14-L18 HydrophobicContact CG2-CD1 4.44Å; I14-L18 PolarHBondContact O-N 3.13Å; R15-L18 PolarHBondContact O-N 3.27Å; L18-K20 VanDerWaalsContact C-N 3.25Å; L18-K20 PolarHBondContact O-N 2.7Å
19	E	39.8	Very low	35.9	Very low	141 Å²	141	110.9 Å²	110.9	66%	0.659	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	1.4	179.2	-75.5	174.3	-177.9	0	0	114.6	R15	R15-E19 PolarHBondContact O-N 3.38Å
20	K	33.5	Very low	35.9	Very low	167 Å²	167	113.6 Å²	113.6	73%	0.726	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	6.3	-179.7	-82.6	-168.9	178.3	-176.3	0	116	L18 S22	L18-K20 VanDerWaalsContact C-N 3.25Å; L18-K20 PolarHBondContact O-N 2.7Å; K20-S22 PolarHBondContact O-N 2.98Å
21	L	34.8	Very low	35.6	Very low	112 Å²	112	115.2 Å²	115.2	59%	0.586	64%	0.635	S	S	*	*			trans	-83.7	103	172.1	-80.3	157.5	0	0	0	109.3	E25	L21-E25 HydrophobicContact CD2-CB 4.11Å
22	S	35.6	Very low	35	Very low	50 Å²	50	114.4 Å²	114.4	35%	0.35	65%	0.645	S	S	.	*			trans	-63.4	150.2	171.7	70.6	0	0	0	0	110.3	K20 A24 E25	K20-S22 PolarHBondContact O-N 2.98Å; S22-A24 PolarHBondContact O-N 3.46Å; S22-E25 PolarHBondContact O-N 3.3Å
23	P	36.8	Very low	35	Very low	114 Å²	114	109.2 Å²	109.2	74%	0.74	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	-16.4	175.9	-23.6	32.4	0	0	0	114.1
24	A	29.4	Very low	35.7	Very low	72 Å²	72	109 Å²	109	60%	0.595	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-23.7	177.6	0	0	0	0	0	113.7	S22	S22-A24 PolarHBondContact O-N 3.46Å
25	E	29.3	Very low	37	Very low	105 Å²	105	108.4 Å²	108.4	49%	0.491	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.7	-23.4	176.3	-73.1	171.7	148	0	0	112.3	L21 S22 Q27 S28	L21-E25 HydrophobicContact CD2-CB 4.11Å; S22-E25 PolarHBondContact O-N 3.3Å; E25-Q27 PolarHBondContact O-N 2.77Å; E25-S28 PolarHBondContact O-N 3.47Å
26	A	31.4	Very low	39	Very low	72 Å²	72	105.5 Å²	105.5	60%	0.595	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-19.1	170.7	0	0	0	0	0	113.2
27	Q	29	Very low	41.5	Very low	155 Å²	155	107.1 Å²	107.1	72%	0.724	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	-2.7	179.7	-74.4	-177.2	-6.6	0	0	114.3	E25 T30	E25-Q27 PolarHBondContact O-N 2.77Å; Q27-T30 PolarHBondContact O-OG1 2.92Å
28	S	25.8	Very low	44	Very low	100 Å²	100	103.8 Å²	103.8	70%	0.699	62%	0.618	S	S	*	*	S	Bend	trans	-101.3	1.2	179	126	0	0	0	0	114.8	E25	E25-S28 PolarHBondContact O-N 3.47Å
29	Q	29.7	Very low	46.6	Very low	178 Å²	178	100 Å²	100	83%	0.832	60%	0.6	S	S	*	*			trans	-99.9	20.6	174.7	-77	-171.3	-3.4	0	0	114.1
30	T	37.4	Very low	49.1	Very low	122 Å²	122	93.2 Å²	93.2	75%	0.748	57%	0.568	S	S	*	*	S	Bend	trans	-94.9	18.4	-174.4	43	0	0	0	0	115.5	Q27	Q27-T30 PolarHBondContact O-OG1 2.92Å
31	A	31.1	Very low	52	Low	100 Å²	100	88.2 Å²	88.2	83%	0.826	55%	0.545	S	S	*	.	S	Bend	trans	-151	49.3	179.5	0	0	0	0	0	115.6
32	A	31.2	Very low	54.7	Low	100 Å²	100	83 Å²	83	83%	0.826	52%	0.517	S	S	*	.	S	Bend	trans	-170.5	103.8	154.5	0	0	0	0	0	112.3
33	G	39.9	Very low	57.3	Low	79 Å²	79	81.7 Å²	81.7	81%	0.814	51%	0.507	S	S	*	.			trans	77.6	36.2	144.6	0	0	0	0	0	120.7	M35	G33-M35 PolarHBondContact O-N 3.37Å
34	A	54.2	Low	59.7	Low	103 Å²	103	82 Å²	82	85%	0.851	51%	0.51	S	S	*	.			trans	-72.8	111.1	163.4	0	0	0	0	0	109.6
35	M	72.8	Confident	62.4	Low	99 Å²	99	83.8 Å²	83.8	49%	0.488	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-65.7	141.2	174.2	-65.7	-173.9	-149.9	0	0	110.3	G33 V147 K154 K156	G33-M35 PolarHBondContact O-N 3.37Å; M35-V147 HydrophobicContact SD-CG1 4.13Å; M35-V147 HydrophobicContact SD-CG2 4.24Å; M35-K154 WeakPolarHBondContact CB-O 3.33Å; M35-K154 HydrophobicContact CG-CB 4.17Å; M35-K154 HydrophobicContact SD-CB 3.97Å; M35-K156 HydrophobicContact CB-CB 4.4Å
36	E	83.8	Confident	65.3	Low	76 Å²	76	82 Å²	82	36%	0.355	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	163.7	174.3	-68.8	-175.3	-156.1	0	0	110.8	K154 Y155 K156	E36-K154 PolarHBondContact N-O 2.85Å; E36-Y155 HydrophobicContact CB-CD1 3.47Å; E36-Y155 VanDerWaalsContact CB-CD1 3.47Å; E36-Y155 HydrophobicContact CB-CE1 3.68Å; E36-Y155 HydrophobicContact CB-CG 4.44Å; E36-Y155 HydrophobicContact CG-CE1 4.44Å; E36-Y155 CarbonylContact O-C 3.56Å; E36-Y155 WeakPolarHBondContact O-CA 3.44Å; E36-Y155 VanDerWaalsContact OE2-CE1 3.28Å; E36-Y155 WeakPolarHBondContact OE2-CE1 3.48Å; E36-K156 PolarHBondContact O-N 3.4Å
37	R	88.7	Confident	68.2	Low	108 Å²	108	83.4 Å²	83.4	41%	0.408	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	137.9	-175.1	-66.2	171.2	68.2	-158.4	2.3	111.7	E158	R37-E158 IonicContact CZ-OE1 3.8Å; R37-E158 IonicContact CZ-OE2 3.96Å; R37-E158 VanDerWaalsContact CZ-OE2 3.3Å; R37-E158 VanDerWaalsContact NE-CD 3.28Å; R37-E158 IonicContact NE-OE1 3.36Å; R37-E158 PolarHBondContact NE-OE1 3.14Å; R37-E158 IonicContact NE-OE2 2.78Å; R37-E158 PolarHBondContact NE-OE2 3.17Å; R37-E158 VanDerWaalsContact NE-OE2 3.17Å; R37-E158 IonicContact NH2-OE1 2.72Å; R37-E158 IonicContact NH2-OE2 3.41Å; R37-E158 PolarHBondContact NH2-OE2 3.48Å
38	A	91.3	Very high	71.4	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	114	166.9	0	0	0	0	0	110	L51 S52 F53 K156 V157 E158	A38-L51 HydrophobicContact CB-CD1 4.39Å; A38-S52 CarbonylContact C-O 3.57Å; A38-S52 WeakPolarHBondContact CA-O 3.38Å; A38-F53 HydrophobicContact CB-CB 3.97Å; A38-K156 PolarHBondContact N-O 3.4Å; A38-V157 HydrophobicContact CB-CG2 4.45Å; A38-V157 CarbonylContact O-C 3.4Å; A38-V157 VanDerWaalsContact O-CA 3.26Å; A38-V157 WeakPolarHBondContact O-CA 3.39Å; A38-E158 PolarHBondContact O-N 2.9Å
39	V	92.4	Very high	74.6	Confident	46 Å²	46	75.7 Å²	75.7	28%	0.279	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	126.9	-179.5	177.5	0	0	0	0	109.6	L51 S52 E158 P161	V39-L51 CarbonylContact O-C 3.56Å; V39-L51 WeakPolarHBondContact O-CA 3.29Å; V39-S52 PolarHBondContact N-O 3.09Å; V39-S52 PolarHBondContact O-N 3Å; V39-E158 WeakPolarHBondContact CA-O 3.32Å; V39-P161 HydrophobicContact CG1-CG 3.68Å; V39-P161 HydrophobicContact CG2-CG 4.38Å
40	V	94.1	Very high	77.7	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	116.7	172.7	176.6	0	0	0	0	108.9	C42 L49 S50 L51 W142 V157 E158 R159 N160	V40-C42 HydrophobicContact CG1-CB 4.24Å; V40-L49 HydrophobicContact CG1-CD2 4.49Å; V40-S50 CarbonylContact C-O 3.48Å; V40-S50 WeakPolarHBondContact CA-O 3.08Å; V40-L51 HydrophobicContact CG2-CD1 3.43Å; V40-L51 VanDerWaalsContact CG2-CD1 3.43Å; V40-W142 HydrophobicContact CB-CB 4.36Å; V40-W142 HydrophobicContact CG1-CB 3.81Å; V40-W142 HydrophobicContact CG1-CG 4.28Å; V40-W142 HydrophobicContact CG2-CB 4.06Å; V40-W142 HydrophobicContact CG2-CD2 4.04Å; V40-W142 HydrophobicContact CG2-CE3 3.76Å; V40-W142 HydrophobicContact CG2-CG 4.17Å; V40-V157 HydrophobicContact CB-CG1 4.32Å; V40-V157 HydrophobicContact CG2-CG1 3.77Å; V40-E158 PolarHBondContact N-O 3.23Å; V40-R159 CarbonylContact O-C 3.6Å; V40-R159 WeakPolarHBondContact O-CA 3.46Å; V40-N160 PolarHBondContact O-N 2.73Å; V40-N160 PolarHBondContact O-OD1 3.34Å
41	R	93.3	Very high	80.3	Confident	61 Å²	61	62.7 Å²	62.7	23%	0.23	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	116	168.8	-178.7	-178.6	179.1	-74.8	-2.6	108.8	V43 E46 L49 S50 N160 E186 F187	R41-V43 HydrophobicContact CG-CG2 4.46Å; R41-E46 IonicContact CZ-OE1 3.33Å; R41-E46 IonicContact CZ-OE2 3.55Å; R41-E46 IonicContact NH1-OE1 2.68Å; R41-E46 PolarHBondContact NH1-OE1 2.61Å; R41-E46 IonicContact NH1-OE2 3.86Å; R41-E46 PolarHBondContact NH1-OE2 3.47Å; R41-E46 IonicContact NH2-OE1 3.38Å; R41-E46 PolarHBondContact NH2-OE1 3.49Å; R41-L49 CarbonylContact O-C 3.59Å; R41-L49 VanDerWaalsContact O-CA 3.23Å; R41-L49 WeakPolarHBondContact O-CA 3.46Å; R41-L49 VanDerWaalsContact O-CB 3.29Å; R41-L49 WeakPolarHBondContact O-CB 3.48Å; R41-S50 WeakPolarHBondContact CB-OG 3.33Å; R41-S50 PolarHBondContact N-O 3.47Å; R41-S50 PolarHBondContact O-N 2.67Å; R41-N160 WeakPolarHBondContact CA-OD1 3.3Å; R41-E186 WeakPolarHBondContact CD-OE1 3.13Å; R41-E186 IonicContact CZ-OE2 2.64Å; R41-E186 IonicContact NE-OE1 2.79Å; R41-E186 PolarHBondContact NE-OE1 3.31Å; R41-E186 IonicContact NE-OE2 2.98Å; R41-E186 PolarHBondContact NE-OE2 3.14Å; R41-E186 IonicContact NH2-OE2 3.17Å; R41-E186 PolarHBondContact NH2-OE2 3.25Å; R41-F187 HydrophobicContact CG-CE2 3.99Å; R41-F187 HydrophobicContact CG-CZ 4.2Å
42	C	92.4	Very high	83.2	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.014	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	101.5	-176.5	-172.2	0	0	0	0	108.9	V40 L49 Q67 R159 N160	V40-C42 HydrophobicContact CG1-CB 4.24Å; C42-L49 HydrophobicContact CB-CB 4.13Å; C42-Q67 PolarHBondContact SG-OE1 2.86Å; C42-Q67 VanDerWaalsContact SG-OE1 3.33Å; C42-R159 PolarHBondContact SG-NH2 3.17Å; C42-N160 PolarHBondContact N-OD1 2.95Å; C42-N160 PolarHBondContact O-ND2 2.9Å; C42-N160 PolarHBondContact O-OD1 2.8Å
43	V	89.9	Confident	86	Confident	23 Å²	23	55.1 Å²	55.1	14%	0.139	33%	0.332	C	S	.	.			trans	-103.7	125	179.8	-178.4	0	0	0	0	108.7	R41 S45 E46 Q67 F187	R41-V43 HydrophobicContact CG-CG2 4.46Å; V43-S45 WeakPolarHBondContact CG1-OG 3.48Å; V43-S45 PolarHBondContact O-N 2.75Å; V43-S45 VanDerWaalsContact O-N 3.12Å; V43-E46 HydrophobicContact CB-CB 4.28Å; V43-E46 HydrophobicContact CB-CG 4.03Å; V43-E46 HydrophobicContact CG1-CG 4.28Å; V43-E46 PolarHBondContact O-N 2.78Å; V43-Q67 PolarHBondContact O-NE2 3.38Å; V43-F187 HydrophobicContact CG2-CE1 4.19Å; V43-F187 HydrophobicContact CG2-CZ 3.64Å
44	P	85.9	Confident	88.2	Confident	122 Å²	122	52.7 Å²	52.7	79%	0.792	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-29	-175.6	-28.4	35.6	0	0	0	115.3	E46	P44-E46 VanDerWaalsContact C-N 3.3Å
45	S	86.4	Confident	89.5	Confident	108 Å²	108	48.6 Å²	48.6	76%	0.755	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-7.6	178.6	57.9	0	0	0	0	114.1	V43	V43-S45 WeakPolarHBondContact CG1-OG 3.48Å; V43-S45 PolarHBondContact O-N 2.75Å; V43-S45 VanDerWaalsContact O-N 3.12Å
46	E	91.1	Very high	89.6	Confident	68 Å²	68	47.5 Å²	47.5	32%	0.318	27%	0.274	S	S	.	.	S	Bend	trans	-103.1	141.3	-179.8	-66.6	179.9	-154.6	0	0	110.6	R41 V43 P44 K48 Q67	R41-E46 IonicContact CZ-OE1 3.33Å; R41-E46 IonicContact CZ-OE2 3.55Å; R41-E46 IonicContact NH1-OE1 2.68Å; R41-E46 PolarHBondContact NH1-OE1 2.61Å; R41-E46 IonicContact NH1-OE2 3.86Å; R41-E46 PolarHBondContact NH1-OE2 3.47Å; R41-E46 IonicContact NH2-OE1 3.38Å; R41-E46 PolarHBondContact NH2-OE1 3.49Å; V43-E46 HydrophobicContact CB-CB 4.28Å; V43-E46 HydrophobicContact CB-CG 4.03Å; V43-E46 HydrophobicContact CG1-CG 4.28Å; V43-E46 PolarHBondContact O-N 2.78Å; P44-E46 VanDerWaalsContact C-N 3.3Å; E46-K48 PolarHBondContact O-N 3.35Å; E46-Q67 VanDerWaalsContact O-CD 3.27Å; E46-Q67 PolarHBondContact O-NE2 2.87Å
47	P	91.9	Very high	89.1	Confident	101 Å²	101	48.4 Å²	48.4	66%	0.656	28%	0.282	S	S	*	.	S	Bend	trans	-72.4	-17.4	179.7	28.6	-34.5	0	0	0	112.9	Q67	P47-Q67 PolarHBondContact O-N 3.08Å
48	K	95.3	Very high	88.3	Confident	91 Å²	91	45.8 Å²	45.8	40%	0.396	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	150.9	-173.9	-64.5	-175.9	-178.7	178.8	0	111.4	E46 Q64 R65 D66 Q67	E46-K48 PolarHBondContact O-N 3.35Å; K48-Q64 HydrophobicContact CD-CB 4.42Å; K48-R65 CarbonylContact C-O 3.57Å; K48-R65 WeakPolarHBondContact CA-O 3.49Å; K48-R65 WeakPolarHBondContact CB-O 3.44Å; K48-D66 WeakPolarHBondContact CE-OD1 3.47Å; K48-D66 WeakPolarHBondContact CG-OD1 3.07Å; K48-Q67 PolarHBondContact O-NE2 2.78Å
49	L	94.6	Very high	87.7	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.016	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	157.7	163.2	66.8	77.2	0	0	0	109.6	V40 R41 C42 L51 Q64 R65 Q67 N138	V40-L49 HydrophobicContact CG1-CD2 4.49Å; R41-L49 CarbonylContact O-C 3.59Å; R41-L49 VanDerWaalsContact O-CA 3.23Å; R41-L49 WeakPolarHBondContact O-CA 3.46Å; R41-L49 VanDerWaalsContact O-CB 3.29Å; R41-L49 WeakPolarHBondContact O-CB 3.48Å; C42-L49 HydrophobicContact CB-CB 4.13Å; L49-L51 HydrophobicContact CD1-CB 4.48Å; L49-Q64 CarbonylContact O-C 3.57Å; L49-Q64 VanDerWaalsContact O-CA 3.29Å; L49-Q64 WeakPolarHBondContact O-CA 3.34Å; L49-R65 HydrophobicContact CD1-CB 4.18Å; L49-R65 PolarHBondContact N-O 3.14Å; L49-R65 PolarHBondContact O-N 3.43Å; L49-Q67 HydrophobicContact CB-CG 4.07Å; L49-N138 HydrophobicContact CD2-CB 3.66Å
50	S	93.6	Very high	87.2	Confident	26 Å²	26	52.6 Å²	52.6	18%	0.182	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	136.3	168.3	68.3	0	0	0	0	111.3	V40 R41 M63	V40-S50 CarbonylContact C-O 3.48Å; V40-S50 WeakPolarHBondContact CA-O 3.08Å; R41-S50 WeakPolarHBondContact CB-OG 3.33Å; R41-S50 PolarHBondContact N-O 3.47Å; R41-S50 PolarHBondContact O-N 2.67Å; S50-M63 CarbonylContact C-O 3.52Å; S50-M63 VanDerWaalsContact CA-O 3.28Å; S50-M63 WeakPolarHBondContact CA-O 3.38Å
51	L	93	Very high	86.9	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126	175.6	173.5	70.1	0	0	0	109	A38 V39 V40 L49 F53 N62 M63 V74 I78 W142	A38-L51 HydrophobicContact CB-CD1 4.39Å; V39-L51 CarbonylContact O-C 3.56Å; V39-L51 WeakPolarHBondContact O-CA 3.29Å; V40-L51 HydrophobicContact CG2-CD1 3.43Å; V40-L51 VanDerWaalsContact CG2-CD1 3.43Å; L49-L51 HydrophobicContact CD1-CB 4.48Å; L51-F53 HydrophobicContact CD1-CD1 4.19Å; L51-F53 HydrophobicContact CD1-CE1 4.49Å; L51-F53 HydrophobicContact CD2-CD1 4.21Å; L51-F53 HydrophobicContact CD2-CE1 3.69Å; L51-F53 HydrophobicContact CG-CD1 3.88Å; L51-F53 HydrophobicContact CG-CE1 3.83Å; L51-N62 WeakPolarHBondContact O-CA 3.41Å; L51-M63 HydrophobicContact CB-CG 3.97Å; L51-M63 HydrophobicContact CD2-CE 4.46Å; L51-M63 HydrophobicContact CD2-CG 4.39Å; L51-M63 HydrophobicContact CD2-SD 4.14Å; L51-M63 PolarHBondContact N-O 2.88Å; L51-M63 PolarHBondContact O-N 3.28Å; L51-V74 HydrophobicContact CD2-CG1 4.38Å; L51-I78 HydrophobicContact CD2-CD1 3.7Å; L51-W142 HydrophobicContact CD1-CE3 4.25Å; L51-W142 HydrophobicContact CD1-CH2 4.19Å; L51-W142 HydrophobicContact CD1-CZ3 3.91Å; L51-W142 HydrophobicContact CD2-CH2 3.66Å; L51-W142 HydrophobicContact CD2-CZ2 3.9Å; L51-W142 HydrophobicContact CD2-CZ3 4.23Å
52	S	91.2	Very high	86.7	Confident	36 Å²	36	57.7 Å²	57.7	25%	0.252	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	128.6	-179.7	-66.5	0	0	0	0	112.6	A38 V39 K61 N62	A38-S52 CarbonylContact C-O 3.57Å; A38-S52 WeakPolarHBondContact CA-O 3.38Å; V39-S52 PolarHBondContact N-O 3.09Å; V39-S52 PolarHBondContact O-N 3Å; S52-K61 CarbonylContact C-O 3.45Å; S52-K61 WeakPolarHBondContact CA-O 3.5Å; S52-N62 VanDerWaalsContact OG-CG 3.29Å; S52-N62 PolarHBondContact OG-OD1 2.76Å
53	F	89.8	Confident	86.7	Confident	6 Å²	6	58.6 Å²	58.6	3%	0.026	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	156.7	176.5	55.4	-83	0	0	0	110.4	A38 L51 L55 K61 M63 I78 L148 I150 Y155	A38-F53 HydrophobicContact CB-CB 3.97Å; L51-F53 HydrophobicContact CD1-CD1 4.19Å; L51-F53 HydrophobicContact CD1-CE1 4.49Å; L51-F53 HydrophobicContact CD2-CD1 4.21Å; L51-F53 HydrophobicContact CD2-CE1 3.69Å; L51-F53 HydrophobicContact CG-CD1 3.88Å; L51-F53 HydrophobicContact CG-CE1 3.83Å; F53-L55 HydrophobicContact CD2-CD2 4.23Å; F53-L55 HydrophobicContact CE2-CD2 3.69Å; F53-L55 HydrophobicContact CE2-CG 4.32Å; F53-K61 HydrophobicContact CD2-CB 4.5Å; F53-K61 HydrophobicContact CE1-CB 4.21Å; F53-K61 HydrophobicContact CE2-CB 4.15Å; F53-K61 HydrophobicContact CE2-CG 4.15Å; F53-K61 HydrophobicContact CZ-CB 4Å; F53-K61 HydrophobicContact CZ-CG 4.3Å; F53-K61 PolarHBondContact N-O 3.17Å; F53-K61 PolarHBondContact O-N 3.3Å; F53-M63 HydrophobicContact CE1-CE 4.11Å; F53-M63 HydrophobicContact CZ-CE 4.3Å; F53-I78 HydrophobicContact CE1-CD1 4.49Å; F53-I78 HydrophobicContact CZ-CD1 4.48Å; F53-I78 HydrophobicContact CZ-CG1 4.26Å; F53-I78 HydrophobicContact CZ-CG2 4.06Å; F53-L148 HydrophobicContact CD1-CD2 4.47Å; F53-L148 HydrophobicContact CE1-CD2 4.29Å; F53-L148 HydrophobicContact CZ-CD2 4.47Å; F53-I150 HydrophobicContact CD2-CD1 4.15Å; F53-I150 HydrophobicContact CE2-CD1 3.39Å; F53-I150 HydrophobicContact CZ-CD1 3.85Å; F53-Y155 HydrophobicContact CB-CD1 4.34Å; F53-Y155 HydrophobicContact CD2-CE1 4.31Å
54	A	86.3	Confident	86.9	Confident	27 Å²	27	64.1 Å²	64.1	22%	0.223	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	144.2	168.3	0	0	0	0	0	109.1	Y155	A54-Y155 WeakPolarHBondContact O-CE1 3.48Å; A54-Y155 PolarHBondContact O-OH 3.42Å
55	L	82.4	Confident	87.4	Confident	17 Å²	17	60.1 Å²	60.1	9%	0.089	35%	0.347	C	S	.	.			trans	-86.9	162.1	165.6	-72.2	179.2	0	0	0	109.6	F53 D57 G58 S59 K61 I150	F53-L55 HydrophobicContact CD2-CD2 4.23Å; F53-L55 HydrophobicContact CE2-CD2 3.69Å; F53-L55 HydrophobicContact CE2-CG 4.32Å; L55-D57 VanDerWaalsContact CB-OD1 3.3Å; L55-D57 WeakPolarHBondContact CB-OD1 3.27Å; L55-D57 PolarHBondContact O-N 3.21Å; L55-G58 WeakPolarHBondContact O-CA 3.45Å; L55-G58 PolarHBondContact O-N 3.25Å; L55-S59 PolarHBondContact N-O 2.99Å; L55-K61 HydrophobicContact CD1-CD 4.3Å; L55-K61 HydrophobicContact CD1-CG 4.05Å; L55-K61 HydrophobicContact CG-CG 3.99Å; L55-I150 HydrophobicContact CD2-CD1 4.12Å
56	A	74.3	Confident	87.8	Confident	76 Å²	76	58.4 Å²	58.4	63%	0.628	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-16.8	176.5	0	0	0	0	0	114.9	V153	A56-V153 HydrophobicContact CB-CG2 4.18Å
57	D	73.3	Confident	88	Confident	96 Å²	96	55.9 Å²	55.9	51%	0.513	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	4.5	172.9	69.9	-3.7	0	0	0	113.7	L55 S59	L55-D57 VanDerWaalsContact CB-OD1 3.3Å; L55-D57 WeakPolarHBondContact CB-OD1 3.27Å; L55-D57 PolarHBondContact O-N 3.21Å; D57-S59 VanDerWaalsContact C-N 3.27Å; D57-S59 PolarHBondContact O-N 3.25Å; D57-S59 WeakPolarHBondContact OD1-CB 3.33Å; D57-S59 PolarHBondContact OD1-N 3.31Å; D57-S59 PolarHBondContact OD1-OG 2.7Å; D57-S59 PolarHBondContact OD2-OG 2.77Å
58	G	71.7	Confident	88.1	Confident	53 Å²	53	55.4 Å²	55.4	55%	0.546	32%	0.317	S	S	.	.	S	Bend	trans	80.3	-1.2	-175.5	0	0	0	0	0	114.1	L55 H60	L55-G58 WeakPolarHBondContact O-CA 3.45Å; L55-G58 PolarHBondContact O-N 3.25Å; G58-H60 PolarHBondContact O-N 3.1Å
59	S	77.9	Confident	88.2	Confident	32 Å²	32	51.6 Å²	51.6	22%	0.224	30%	0.3	C	S	.	.			trans	-78.4	125.5	-179.5	71.9	0	0	0	0	111.8	L55 D57	L55-S59 PolarHBondContact N-O 2.99Å; D57-S59 VanDerWaalsContact C-N 3.27Å; D57-S59 PolarHBondContact O-N 3.25Å; D57-S59 WeakPolarHBondContact OD1-CB 3.33Å; D57-S59 PolarHBondContact OD1-N 3.31Å; D57-S59 PolarHBondContact OD1-OG 2.7Å; D57-S59 PolarHBondContact OD2-OG 2.77Å
60	H	82.3	Confident	88.3	Confident	156 Å²	156	53.5 Å²	53.5	72%	0.722	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	133.1	173	-79.2	-84	0	0	0	111.3	G58	G58-H60 PolarHBondContact O-N 3.1Å
61	K	87.9	Confident	88.4	Confident	53 Å²	53	52.2 Å²	52.2	23%	0.23	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	129.1	169.2	-59.2	-57	173.5	-161.2	0	108.4	S52 F53 L55	S52-K61 CarbonylContact C-O 3.45Å; S52-K61 WeakPolarHBondContact CA-O 3.5Å; F53-K61 HydrophobicContact CD2-CB 4.5Å; F53-K61 HydrophobicContact CE1-CB 4.21Å; F53-K61 HydrophobicContact CE2-CB 4.15Å; F53-K61 HydrophobicContact CE2-CG 4.15Å; F53-K61 HydrophobicContact CZ-CB 4Å; F53-K61 HydrophobicContact CZ-CG 4.3Å; F53-K61 PolarHBondContact N-O 3.17Å; F53-K61 PolarHBondContact O-N 3.3Å; L55-K61 HydrophobicContact CD1-CD 4.3Å; L55-K61 HydrophobicContact CD1-CG 4.05Å; L55-K61 HydrophobicContact CG-CG 3.99Å
62	N	89.8	Confident	88.5	Confident	116 Å²	116	52.6 Å²	52.6	62%	0.62	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.7	131.5	167.3	-172.1	-15.2	0	0	0	107.2	L51 S52	L51-N62 WeakPolarHBondContact O-CA 3.41Å; S52-N62 VanDerWaalsContact OG-CG 3.29Å; S52-N62 PolarHBondContact OG-OD1 2.76Å
63	M	92.8	Very high	88.6	Confident	21 Å²	21	58.5 Å²	58.5	10%	0.103	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	140.9	176.2	63.6	-172.7	79.9	0	0	111.3	S50 L51 F53 R65 V74 I78	S50-M63 CarbonylContact C-O 3.52Å; S50-M63 VanDerWaalsContact CA-O 3.28Å; S50-M63 WeakPolarHBondContact CA-O 3.38Å; L51-M63 HydrophobicContact CB-CG 3.97Å; L51-M63 HydrophobicContact CD2-CE 4.46Å; L51-M63 HydrophobicContact CD2-CG 4.39Å; L51-M63 HydrophobicContact CD2-SD 4.14Å; L51-M63 PolarHBondContact N-O 2.88Å; L51-M63 PolarHBondContact O-N 3.28Å; F53-M63 HydrophobicContact CE1-CE 4.11Å; F53-M63 HydrophobicContact CZ-CE 4.3Å; M63-R65 HydrophobicContact CG-CG 4.26Å; M63-R65 HydrophobicContact SD-CG 4.47Å; M63-V74 HydrophobicContact SD-CG1 4.12Å; M63-I78 HydrophobicContact CE-CG1 3.68Å; M63-I78 HydrophobicContact SD-CG1 4.01Å
64	Q	93.9	Very high	88.8	Confident	138 Å²	138	58.2 Å²	58.2	65%	0.645	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	134.4	169.2	-71.1	-175.1	-10.6	0	0	110.2	K48 L49	K48-Q64 HydrophobicContact CD-CB 4.42Å; L49-Q64 CarbonylContact O-C 3.57Å; L49-Q64 VanDerWaalsContact O-CA 3.29Å; L49-Q64 WeakPolarHBondContact O-CA 3.34Å
65	R	95.1	Very high	89.1	Confident	39 Å²	39	57.2 Å²	57.2	15%	0.147	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	147.3	-173.4	-64.9	-53.1	-61	179.7	-0.8	109.8	K48 L49 M63 E69 V74 R77	K48-R65 CarbonylContact C-O 3.57Å; K48-R65 WeakPolarHBondContact CA-O 3.49Å; K48-R65 WeakPolarHBondContact CB-O 3.44Å; L49-R65 HydrophobicContact CD1-CB 4.18Å; L49-R65 PolarHBondContact N-O 3.14Å; L49-R65 PolarHBondContact O-N 3.43Å; M63-R65 HydrophobicContact CG-CG 4.26Å; M63-R65 HydrophobicContact SD-CG 4.47Å; R65-E69 VanDerWaalsContact CB-OE1 3.29Å; R65-E69 WeakPolarHBondContact CB-OE1 3.48Å; R65-E69 IonicContact CZ-OE1 3.73Å; R65-E69 IonicContact CZ-OE2 2.67Å; R65-E69 IonicContact NE-OE1 3.3Å; R65-E69 PolarHBondContact NE-OE1 3.19Å; R65-E69 IonicContact NE-OE2 2.77Å; R65-E69 IonicContact NH2-OE1 3.74Å; R65-E69 PolarHBondContact NH2-OE1 2.83Å; R65-E69 IonicContact NH2-OE2 3.95Å; R65-E69 PolarHBondContact NH2-OE2 2.9Å; R65-V74 HydrophobicContact CB-CG2 4.06Å; R65-V74 HydrophobicContact CG-CG1 4.18Å; R65-V74 HydrophobicContact CG-CG2 3.78Å; R65-R77 VanDerWaalsContact NH1-CD 3.26Å
66	D	94.9	Very high	89.5	Confident	71 Å²	71	59.6 Å²	59.6	38%	0.38	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	138.6	178.3	-64.2	-47.1	0	0	0	109.6	K48 S68 E69 N138	K48-D66 WeakPolarHBondContact CE-OD1 3.47Å; K48-D66 WeakPolarHBondContact CG-OD1 3.07Å; D66-S68 PolarHBondContact O-N 3.39Å; D66-E69 HydrophobicContact CB-CB 4.35Å; D66-E69 WeakPolarHBondContact O-CG 3.48Å; D66-E69 PolarHBondContact O-N 3.05Å; D66-N138 PolarHBondContact O-ND2 3.35Å
67	Q	95.4	Very high	90.3	Very high	15 Å²	15	62.5 Å²	62.5	7%	0.07	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-27.3	-179.3	-71.9	-164.7	34.6	0	0	112.1	C42 V43 E46 P47 K48 L49 N138 V139	C42-Q67 PolarHBondContact SG-OE1 2.86Å; C42-Q67 VanDerWaalsContact SG-OE1 3.33Å; V43-Q67 PolarHBondContact O-NE2 3.38Å; E46-Q67 VanDerWaalsContact O-CD 3.27Å; E46-Q67 PolarHBondContact O-NE2 2.87Å; P47-Q67 PolarHBondContact O-N 3.08Å; K48-Q67 PolarHBondContact O-NE2 2.78Å; L49-Q67 HydrophobicContact CB-CG 4.07Å; Q67-N138 WeakPolarHBondContact O-CB 3.48Å; Q67-N138 PolarHBondContact O-N 3.31Å; Q67-V139 HydrophobicContact CB-CB 4.18Å; Q67-V139 PolarHBondContact O-N 3.38Å
68	S	95.6	Very high	91	Very high	91 Å²	91	58.1 Å²	58.1	64%	0.636	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	5.2	-178.6	59.3	0	0	0	0	114.4	D66 L137	D66-S68 PolarHBondContact O-N 3.39Å; S68-L137 WeakPolarHBondContact O-CD2 3.29Å
69	E	95.7	Very high	91.8	Very high	11 Å²	11	55.9 Å²	55.9	5%	0.051	28%	0.28	C	S	.	.	S	Bend	trans	-86.8	153.2	172.6	80.8	179.8	162.6	0	0	111.6	R65 D66 V74 N138	R65-E69 VanDerWaalsContact CB-OE1 3.29Å; R65-E69 WeakPolarHBondContact CB-OE1 3.48Å; R65-E69 IonicContact CZ-OE1 3.73Å; R65-E69 IonicContact CZ-OE2 2.67Å; R65-E69 IonicContact NE-OE1 3.3Å; R65-E69 PolarHBondContact NE-OE1 3.19Å; R65-E69 IonicContact NE-OE2 2.77Å; R65-E69 IonicContact NH2-OE1 3.74Å; R65-E69 PolarHBondContact NH2-OE1 2.83Å; R65-E69 IonicContact NH2-OE2 3.95Å; R65-E69 PolarHBondContact NH2-OE2 2.9Å; D66-E69 HydrophobicContact CB-CB 4.35Å; D66-E69 WeakPolarHBondContact O-CG 3.48Å; D66-E69 PolarHBondContact O-N 3.05Å; E69-V74 VanDerWaalsContact OE1-CG2 3.26Å; E69-V74 WeakPolarHBondContact OE1-CG2 3.45Å; E69-N138 WeakPolarHBondContact CG-ND2 3.42Å; E69-N138 PolarHBondContact O-N 3.22Å; E69-N138 PolarHBondContact OE1-ND2 2.98Å; E69-N138 VanDerWaalsContact OE1-ND2 3.15Å
70	P	97.1	Very high	92.1	Very high	43 Å²	43	57.3 Å²	57.3	28%	0.279	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-63.4	140	174	-23	34.3	0	0	0	113.1	G72 R73 E134	P70-G72 PolarHBondContact O-N 2.78Å; P70-R73 PolarHBondContact O-N 2.9Å; P70-R73 VanDerWaalsContact O-N 3.14Å; P70-E134 WeakPolarHBondContact CB-O 3.13Å
71	L	96.4	Very high	91.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-50.4	-41.1	178.5	173.7	64.7	0	0	0	112.7	R73 V74 L75 L125 V132 E134 V136 A141 W142	L71-R73 PolarHBondContact O-N 3.43Å; L71-R73 VanDerWaalsContact O-N 3.12Å; L71-V74 WeakPolarHBondContact O-CB 3.44Å; L71-V74 PolarHBondContact O-N 2.9Å; L71-L75 HydrophobicContact CD1-CD1 4.25Å; L71-L75 HydrophobicContact CD1-CD2 4.03Å; L71-L75 HydrophobicContact CD1-CG 3.94Å; L71-L75 HydrophobicContact CD2-CD1 3.98Å; L71-L75 HydrophobicContact CG-CD1 3.76Å; L71-L75 HydrophobicContact CG-CD2 4.45Å; L71-L75 HydrophobicContact CG-CG 3.9Å; L71-L75 PolarHBondContact O-N 3.41Å; L71-L125 HydrophobicContact CD1-CD2 3.94Å; L71-L125 HydrophobicContact CD2-CB 4.13Å; L71-L125 HydrophobicContact CD2-CD2 4.05Å; L71-V132 HydrophobicContact CD2-CB 3.85Å; L71-V132 HydrophobicContact CD2-CG1 3.67Å; L71-E134 PolarHBondContact N-O 2.92Å; L71-V136 WeakPolarHBondContact CB-O 3.43Å; L71-V136 PolarHBondContact N-O 2.76Å; L71-A141 HydrophobicContact CB-CB 4.01Å; L71-A141 HydrophobicContact CD1-CB 3.89Å; L71-A141 HydrophobicContact CD2-CB 3.89Å; L71-A141 HydrophobicContact CG-CB 4.13Å; L71-W142 HydrophobicContact CD1-CZ2 3.83Å
72	G	94.4	Very high	91.2	Very high	7 Å²	7	50 Å²	50	7%	0.072	26%	0.257	C	S	.	.	H	α-helix	trans	-52.6	-37.7	-177.9	0	0	0	0	0	112.6	P70 V74 L75 S76 E134	P70-G72 PolarHBondContact O-N 2.78Å; G72-V74 VanDerWaalsContact C-N 3.32Å; G72-V74 PolarHBondContact O-N 2.96Å; G72-L75 PolarHBondContact O-N 3.48Å; G72-S76 PolarHBondContact O-N 3.21Å; G72-S76 PolarHBondContact O-OG 2.69Å; G72-E134 PolarHBondContact N-O 2.97Å
73	R	93.8	Very high	90.1	Very high	160 Å²	160	46.8 Å²	46.8	60%	0.604	24%	0.239	S	C	*	.	H	α-helix	trans	-63.1	-37.4	177.7	-66.3	-172.3	177	177.1	1	112.8	P70 L71 R77	P70-R73 PolarHBondContact O-N 2.9Å; P70-R73 VanDerWaalsContact O-N 3.14Å; L71-R73 PolarHBondContact O-N 3.43Å; L71-R73 VanDerWaalsContact O-N 3.12Å; R73-R77 WeakPolarHBondContact O-CB 3.26Å; R73-R77 PolarHBondContact O-N 3.41Å
74	V	93.3	Very high	88.7	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-71.9	-46	177.5	-176.1	0	0	0	0	110.1	L51 M63 R65 E69 L71 G72 S76 R77 I78 N138 W142	L51-V74 HydrophobicContact CD2-CG1 4.38Å; M63-V74 HydrophobicContact SD-CG1 4.12Å; R65-V74 HydrophobicContact CB-CG2 4.06Å; R65-V74 HydrophobicContact CG-CG1 4.18Å; R65-V74 HydrophobicContact CG-CG2 3.78Å; E69-V74 VanDerWaalsContact OE1-CG2 3.26Å; E69-V74 WeakPolarHBondContact OE1-CG2 3.45Å; L71-V74 WeakPolarHBondContact O-CB 3.44Å; L71-V74 PolarHBondContact O-N 2.9Å; G72-V74 VanDerWaalsContact C-N 3.32Å; G72-V74 PolarHBondContact O-N 2.96Å; V74-S76 PolarHBondContact O-N 2.94Å; V74-R77 PolarHBondContact O-N 3.07Å; V74-R77 VanDerWaalsContact O-N 3.13Å; V74-I78 HydrophobicContact CG1-CD1 3.99Å; V74-I78 HydrophobicContact CG1-CG1 4.47Å; V74-I78 WeakPolarHBondContact O-CG1 3.46Å; V74-I78 PolarHBondContact O-N 3.31Å; V74-N138 WeakPolarHBondContact CG2-ND2 3.32Å; V74-N138 VanDerWaalsContact CG2-OD1 3.27Å; V74-N138 WeakPolarHBondContact CG2-OD1 3Å; V74-W142 HydrophobicContact CG1-CZ2 3.89Å
75	L	94	Very high	87	Confident	7 Å²	7	46.4 Å²	46.4	4%	0.037	24%	0.239	C	C	.	.	H	α-helix	trans	-60.9	-45.5	179.4	-59.7	-179.3	0	0	0	111.6	L71 G72 R77 I78 A79 V123 L125 W142 L148	L71-L75 HydrophobicContact CD1-CD1 4.25Å; L71-L75 HydrophobicContact CD1-CD2 4.03Å; L71-L75 HydrophobicContact CD1-CG 3.94Å; L71-L75 HydrophobicContact CD2-CD1 3.98Å; L71-L75 HydrophobicContact CG-CD1 3.76Å; L71-L75 HydrophobicContact CG-CD2 4.45Å; L71-L75 HydrophobicContact CG-CG 3.9Å; L71-L75 PolarHBondContact O-N 3.41Å; G72-L75 PolarHBondContact O-N 3.48Å; L75-R77 PolarHBondContact O-N 2.81Å; L75-I78 PolarHBondContact O-N 3.15Å; L75-A79 PolarHBondContact O-N 3.11Å; L75-V123 HydrophobicContact CB-CG1 4.07Å; L75-V123 HydrophobicContact CD2-CG1 3.89Å; L75-L125 HydrophobicContact CD2-CB 4.4Å; L75-W142 HydrophobicContact CD2-CH2 4.38Å; L75-W142 HydrophobicContact CD2-CZ2 4.41Å; L75-L148 HydrophobicContact CD2-CD1 4.02Å
76	S	90.9	Very high	85.2	Confident	66 Å²	66	51 Å²	51	46%	0.462	26%	0.262	S	S	.	.	H	α-helix	trans	-58.9	-37.8	175.1	-54	0	0	0	0	112.2	G72 V74 A79 T80	G72-S76 PolarHBondContact O-N 3.21Å; G72-S76 PolarHBondContact O-OG 2.69Å; V74-S76 PolarHBondContact O-N 2.94Å; S76-A79 PolarHBondContact O-N 3.33Å; S76-T80 PolarHBondContact O-N 3.25Å; S76-T80 PolarHBondContact O-OG1 2.6Å
77	R	89.4	Confident	83.2	Confident	138 Å²	138	50.8 Å²	50.8	52%	0.521	27%	0.27	S	S	.	.	H	α-helix	trans	-71.8	-37.8	179.2	-164.9	166.8	-175.2	116.1	-5.3	112.2	R65 R73 V74 L75 A79 T80 N81	R65-R77 VanDerWaalsContact NH1-CD 3.26Å; R73-R77 WeakPolarHBondContact O-CB 3.26Å; R73-R77 PolarHBondContact O-N 3.41Å; V74-R77 PolarHBondContact O-N 3.07Å; V74-R77 VanDerWaalsContact O-N 3.13Å; L75-R77 PolarHBondContact O-N 2.81Å; R77-A79 VanDerWaalsContact C-N 3.35Å; R77-T80 PolarHBondContact O-N 3.48Å; R77-N81 WeakPolarHBondContact O-CB 3.44Å; R77-N81 VanDerWaalsContact O-CG 3.3Å; R77-N81 PolarHBondContact O-N 2.88Å; R77-N81 PolarHBondContact O-ND2 3.29Å
78	I	89.3	Confident	81.2	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.015	30%	0.302	C	S	.	.	H	α-helix	trans	-60.4	-47.4	171.1	-67.9	165.6	0	0	0	109.5	L51 F53 M63 V74 L75 T80 N81 A82 V123 W142 L148 I150	L51-I78 HydrophobicContact CD2-CD1 3.7Å; F53-I78 HydrophobicContact CE1-CD1 4.49Å; F53-I78 HydrophobicContact CZ-CD1 4.48Å; F53-I78 HydrophobicContact CZ-CG1 4.26Å; F53-I78 HydrophobicContact CZ-CG2 4.06Å; M63-I78 HydrophobicContact CE-CG1 3.68Å; M63-I78 HydrophobicContact SD-CG1 4.01Å; V74-I78 HydrophobicContact CG1-CD1 3.99Å; V74-I78 HydrophobicContact CG1-CG1 4.47Å; V74-I78 WeakPolarHBondContact O-CG1 3.46Å; V74-I78 PolarHBondContact O-N 3.31Å; L75-I78 PolarHBondContact O-N 3.15Å; I78-T80 PolarHBondContact O-N 3.4Å; I78-N81 PolarHBondContact O-N 3.06Å; I78-N81 VanDerWaalsContact O-N 3.14Å; I78-A82 PolarHBondContact O-N 3.38Å; I78-V123 HydrophobicContact CB-CG1 4.06Å; I78-V123 HydrophobicContact CG2-CG1 3.84Å; I78-V123 HydrophobicContact CG2-CG2 4.17Å; I78-W142 HydrophobicContact CD1-CH2 4.22Å; I78-L148 HydrophobicContact CD1-CD1 4.4Å; I78-L148 HydrophobicContact CD1-CD2 4.3Å; I78-I150 HydrophobicContact CG2-CD1 3.51Å; I78-I150 HydrophobicContact CG2-CG1 3.97Å
79	A	87.5	Confident	79.1	Confident	7 Å²	7	56.5 Å²	56.5	6%	0.058	29%	0.294	C	S	.	.	H	α-helix	trans	-57.1	-47.8	177.9	0	0	0	0	0	111.9	L75 S76 R77 N81 A82 L83 V123	L75-A79 PolarHBondContact O-N 3.11Å; S76-A79 PolarHBondContact O-N 3.33Å; R77-A79 VanDerWaalsContact C-N 3.35Å; A79-N81 VanDerWaalsContact C-N 3.3Å; A79-N81 PolarHBondContact O-N 3.48Å; A79-A82 PolarHBondContact O-N 3.45Å; A79-L83 WeakPolarHBondContact O-CG 3.43Å; A79-L83 PolarHBondContact O-N 3.4Å; A79-L83 VanDerWaalsContact O-N 3.16Å; A79-V123 HydrophobicContact CB-CB 4.27Å; A79-V123 HydrophobicContact CB-CG2 3.63Å
80	T	83.9	Confident	77	Confident	61 Å²	61	58.8 Å²	58.8	37%	0.374	31%	0.314	S	S	.	.	H	α-helix	trans	-60.3	-39.7	177.3	-56.4	0	0	0	0	112.3	S76 R77 I78 K84	S76-T80 PolarHBondContact O-N 3.25Å; S76-T80 PolarHBondContact O-OG1 2.6Å; R77-T80 PolarHBondContact O-N 3.48Å; I78-T80 PolarHBondContact O-N 3.4Å; T80-K84 PolarHBondContact O-N 2.71Å
81	N	77.5	Confident	74.8	Confident	49 Å²	49	59.7 Å²	59.7	26%	0.262	33%	0.326	S	S	.	.	H	α-helix	trans	-73.2	-36	-179.3	-76.7	-25	0	0	0	112.8	R77 I78 A79 K84 G85	R77-N81 WeakPolarHBondContact O-CB 3.44Å; R77-N81 VanDerWaalsContact O-CG 3.3Å; R77-N81 PolarHBondContact O-N 2.88Å; R77-N81 PolarHBondContact O-ND2 3.29Å; I78-N81 PolarHBondContact O-N 3.06Å; I78-N81 VanDerWaalsContact O-N 3.14Å; A79-N81 VanDerWaalsContact C-N 3.3Å; A79-N81 PolarHBondContact O-N 3.48Å; N81-K84 PolarHBondContact O-N 2.8Å; N81-G85 PolarHBondContact O-N 3.38Å
82	A	74	Confident	72.5	Confident	7 Å²	7	62.8 Å²	62.8	6%	0.058	35%	0.351	C	S	.	.	H	α-helix	trans	-63.2	-42.7	175.3	0	0	0	0	0	111.2	I78 A79 K84 G85 H86 P121 I150	I78-A82 PolarHBondContact O-N 3.38Å; A79-A82 PolarHBondContact O-N 3.45Å; A82-K84 VanDerWaalsContact C-N 3.35Å; A82-K84 PolarHBondContact O-N 3.36Å; A82-G85 PolarHBondContact O-N 3.26Å; A82-H86 PolarHBondContact O-CD2 2.82Å; A82-H86 VanDerWaalsContact O-CD2 3.31Å; A82-H86 PolarHBondContact O-N 3.48Å; A82-P121 HydrophobicContact CB-CG 3.99Å; A82-I150 HydrophobicContact CB-CG2 4.07Å
83	L	66.9	Low	70.4	Confident	48 Å²	48	70.6 Å²	70.6	25%	0.251	38%	0.383	S	S	.	.	H	α-helix	trans	-59.9	-39.7	177	-74.4	166.4	0	0	0	113.5	A79 G85 H86 A87 E120 P121	A79-L83 WeakPolarHBondContact O-CG 3.43Å; A79-L83 PolarHBondContact O-N 3.4Å; A79-L83 VanDerWaalsContact O-N 3.16Å; L83-G85 VanDerWaalsContact C-N 3.3Å; L83-G85 PolarHBondContact O-N 2.78Å; L83-H86 PolarHBondContact O-N 2.86Å; L83-A87 PolarHBondContact O-N 3.44Å; L83-A87 VanDerWaalsContact O-N 3.14Å; L83-E120 HydrophobicContact CD1-CB 4.29Å; L83-E120 HydrophobicContact CD1-CG 3.95Å; L83-P121 VanDerWaalsContact CD2-CD 3.45Å; L83-P121 HydrophobicContact CD2-CG 4.42Å; L83-P121 VanDerWaalsContact CG-CD 3.44Å; L83-P121 HydrophobicContact CG-CG 4.15Å
84	K	64.1	Low	68.3	Low	136 Å²	136	71.2 Å²	71.2	59%	0.591	39%	0.39	S	S	*	.	H	α-helix	trans	-65	-31.5	177.8	-72.8	177.6	-179.3	176.6	0	113	T80 N81 A82 K88	T80-K84 PolarHBondContact O-N 2.71Å; N81-K84 PolarHBondContact O-N 2.8Å; A82-K84 VanDerWaalsContact C-N 3.35Å; A82-K84 PolarHBondContact O-N 3.36Å; K84-K88 PolarHBondContact O-N 3.45Å
85	G	58.4	Low	65.9	Low	15 Å²	15	75.5 Å²	75.5	16%	0.155	42%	0.42	C	S	.	.	H	α-helix	trans	-66.3	-47.4	174.9	0	0	0	0	0	112	N81 A82 L83 A87 K88 A89	N81-G85 PolarHBondContact O-N 3.38Å; A82-G85 PolarHBondContact O-N 3.26Å; L83-G85 VanDerWaalsContact C-N 3.3Å; L83-G85 PolarHBondContact O-N 2.78Å; G85-A87 PolarHBondContact O-N 3.42Å; G85-K88 PolarHBondContact O-N 3.27Å; G85-A89 PolarHBondContact O-N 3.45Å; G85-A89 VanDerWaalsContact O-N 3.15Å
86	H	56.8	Low	63.7	Low	137 Å²	137	86.4 Å²	86.4	63%	0.634	46%	0.46	S	S	*	.	H	α-helix	trans	-61.5	-39.4	177.2	-75.2	-72.5	0	0	0	113.1	A82 L83 A89 A90	A82-H86 PolarHBondContact O-CD2 2.82Å; A82-H86 VanDerWaalsContact O-CD2 3.31Å; A82-H86 PolarHBondContact O-N 3.48Å; L83-H86 PolarHBondContact O-N 2.86Å; H86-A89 PolarHBondContact O-N 3.38Å; H86-A90 WeakPolarHBondContact O-CB 3.5Å; H86-A90 PolarHBondContact O-N 2.87Å
87	A	53.5	Low	61.6	Low	65 Å²	65	92.4 Å²	92.4	54%	0.537	48%	0.478	S	S	.	.	H	α-helix	trans	-64.5	-39.3	177.6	0	0	0	0	0	113	L83 G85 A91	L83-A87 PolarHBondContact O-N 3.44Å; L83-A87 VanDerWaalsContact O-N 3.14Å; G85-A87 PolarHBondContact O-N 3.42Å; A87-A91 PolarHBondContact O-N 2.93Å; A87-A91 VanDerWaalsContact O-N 3.11Å
88	K	52.8	Low	59.4	Low	171 Å²	171	90.1 Å²	90.1	74%	0.743	48%	0.484	S	S	*	.	H	α-helix	trans	-66.6	-41.5	175.3	-88.3	-174.1	173.7	-176.9	0	112.4	K84 G85 A91 A92	K84-K88 PolarHBondContact O-N 3.45Å; G85-K88 PolarHBondContact O-N 3.27Å; K88-A91 PolarHBondContact O-N 2.86Å; K88-A92 PolarHBondContact O-N 3.27Å; K88-A92 VanDerWaalsContact O-N 3.09Å
89	A	51.7	Low	56.8	Low	56 Å²	56	101.7 Å²	101.7	46%	0.463	53%	0.527	S	S	.	.	H	α-helix	trans	-65.2	-37.4	177.6	0	0	0	0	0	112.6	G85 H86 K93	G85-A89 PolarHBondContact O-N 3.45Å; G85-A89 VanDerWaalsContact O-N 3.15Å; H86-A89 PolarHBondContact O-N 3.38Å; A89-K93 PolarHBondContact O-N 2.89Å
90	A	50.8	Low	54.8	Low	59 Å²	59	107.4 Å²	107.4	49%	0.488	56%	0.563	S	S	.	*	H	α-helix	trans	-69	-38.3	175.7	0	0	0	0	0	112.8	H86 K93 K94	H86-A90 WeakPolarHBondContact O-CB 3.5Å; H86-A90 PolarHBondContact O-N 2.87Å; A90-K93 PolarHBondContact O-N 3.11Å; A90-K94 PolarHBondContact O-N 3.29Å
91	A	50.4	Low	52.3	Low	62 Å²	62	112.7 Å²	112.7	51%	0.512	59%	0.59	S	S	.	*	H	α-helix	trans	-67.1	-40.1	176.3	0	0	0	0	0	112.6	A87 K88 K93 K94 S95	A87-A91 PolarHBondContact O-N 2.93Å; A87-A91 VanDerWaalsContact O-N 3.11Å; K88-A91 PolarHBondContact O-N 2.86Å; A91-K93 VanDerWaalsContact C-N 3.33Å; A91-K93 PolarHBondContact O-N 3.05Å; A91-K94 PolarHBondContact O-N 2.84Å; A91-S95 PolarHBondContact O-N 3.41Å; A91-S95 VanDerWaalsContact O-N 3.17Å
92	A	48	Very low	50.2	Low	64 Å²	64	114.9 Å²	114.9	53%	0.529	61%	0.614	S	S	.	*	H	α-helix	trans	-64.5	-34.4	176.6	0	0	0	0	0	112.9	K88	K88-A92 PolarHBondContact O-N 3.27Å; K88-A92 VanDerWaalsContact O-N 3.09Å
93	K	50.6	Low	48.2	Very low	172 Å²	172	120.1 Å²	120.1	75%	0.748	65%	0.651	S	S	*	*	H	α-helix	trans	-71.2	-30.8	173.6	-80.7	-178.9	177.6	175	0	113.3	A89 A90 A91	A89-K93 PolarHBondContact O-N 2.89Å; A90-K93 PolarHBondContact O-N 3.11Å; A91-K93 VanDerWaalsContact C-N 3.33Å; A91-K93 PolarHBondContact O-N 3.05Å
94	K	50.8	Low	46.5	Very low	172 Å²	172	122 Å²	122	75%	0.748	68%	0.681	S	S	*	*	H	α-helix	trans	-71.9	-37	175.1	-88.1	-176.9	174.9	178.3	0	112.7	A90 A91 R96 K97	A90-K94 PolarHBondContact O-N 3.29Å; A91-K94 PolarHBondContact O-N 2.84Å; K94-R96 VanDerWaalsContact C-N 3.28Å; K94-R96 PolarHBondContact O-N 2.76Å; K94-K97 PolarHBondContact O-N 3.33Å; K94-K97 VanDerWaalsContact O-N 3.13Å
95	S	42.3	Very low	44.9	Very low	90 Å²	90	119.5 Å²	119.5	63%	0.629	69%	0.694	S	S	*	*	H	α-helix	trans	-62.2	-30	177	153.8	0	0	0	0	113.7	A91 K97	A91-S95 PolarHBondContact O-N 3.41Å; A91-S95 VanDerWaalsContact O-N 3.17Å; S95-K97 VanDerWaalsContact C-N 3.31Å; S95-K97 PolarHBondContact O-N 3.5Å
96	R	48.8	Very low	43.7	Very low	236 Å²	236	123.7 Å²	123.7	89%	0.891	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-11.5	175.8	-93.9	-179.4	171.4	174.8	-2.2	114.7	K94	K94-R96 VanDerWaalsContact C-N 3.28Å; K94-R96 PolarHBondContact O-N 2.76Å
97	K	46.2	Very low	42.6	Very low	193 Å²	193	121.6 Å²	121.6	84%	0.839	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	0.9	-176.2	-99.7	-174.2	175.8	-177.5	0	115.2	K94 S95	K94-K97 PolarHBondContact O-N 3.33Å; K94-K97 VanDerWaalsContact O-N 3.13Å; S95-K97 VanDerWaalsContact C-N 3.31Å; S95-K97 PolarHBondContact O-N 3.5Å
98	S	42.6	Very low	41.4	Very low	90 Å²	90	124.9 Å²	124.9	63%	0.629	75%	0.751	S	S	*	*			trans	-114.8	84.2	178.1	63.8	0	0	0	0	112.6
99	R	35.7	Very low	40.5	Very low	246 Å²	246	122.9 Å²	122.9	93%	0.928	76%	0.759	S	S	*	*			trans	-113.5	119.8	148.3	-87.9	-174.6	174.3	-178.3	-1.6	106.8
100	P	44	Very low	39.5	Very low	126 Å²	126	123.2 Å²	123.2	82%	0.818	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-88.2	132.7	179.1	32.2	-27.4	0	0	0	110.6
101	N	31.7	Very low	38.9	Very low	173 Å²	173	126.7 Å²	126.7	93%	0.925	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-95.3	139	151.3	-116.8	1.3	0	0	0	107.7
102	A	35	Very low	37.9	Very low	95 Å²	95	126.8 Å²	126.8	79%	0.785	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-67.9	142.4	-171.1	0	0	0	0	0	113.8
103	S	31.4	Very low	37.4	Very low	117 Å²	117	130 Å²	130	82%	0.818	81%	0.808	S	S	*	*				160.9	125.2	111.6	62.4	0	0	0	0	112.2
104	G	31.6	Very low	36.5	Very low	87 Å²	87	130.2 Å²	130.2	90%	0.897	81%	0.812	S	S	*	*			trans	73.1	129.3	139.3	0	0	0	0	0	120.5
105	G	29.8	Very low	35.9	Very low	84 Å²	84	127.8 Å²	127.8	87%	0.866	81%	0.813	S	S	*	*			trans	130.9	117.3	151.8	0	0	0	0	0	115.3
106	A	32.7	Very low	35.6	Very low	102 Å²	102	128.1 Å²	128.1	84%	0.843	82%	0.821	S	S	*	*			trans	-82.4	151.3	-172.6	0	0	0	0	0	115
107	A	34.5	Very low	35.2	Very low	94 Å²	94	123 Å²	123	78%	0.777	82%	0.816	S	S	*	*			trans	48.3	119.6	150.7	0	0	0	0	0	120.6
108	C	27.3	Very low	35.2	Very low	133 Å²	133	117.5 Å²	117.5	90%	0.899	81%	0.807	S	S	*	*				-167.9	132.6	120.4	-102.7	0	0	0	0	111
109	S	34.5	Very low	35.6	Very low	129 Å²	129	118.6 Å²	118.6	90%	0.902	81%	0.813	S	S	*	*			trans	-72.1	124.2	177.5	44.7	0	0	0	0	112
110	G	31.3	Very low	36.7	Very low	63 Å²	63	113.5 Å²	113.5	65%	0.649	80%	0.8	S	S	*	*			trans	-126.2	152.6	162.7	0	0	0	0	0	109.7	G112	G110-G112 PolarHBondContact O-N 2.83Å
111	P	36.4	Very low	37.8	Very low	133 Å²	133	108.8 Å²	108.8	86%	0.864	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-63.5	126.1	-174.7	6	4.6	0	0	0	109
112	G	31.4	Very low	40.2	Very low	64 Å²	64	104.3 Å²	104.3	66%	0.66	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-57.5	139.6	174.3	0	0	0	0	0	109.9	G110 E114	G110-G112 PolarHBondContact O-N 2.83Å; G112-E114 PolarHBondContact O-N 2.96Å
113	P	36.8	Very low	42.9	Very low	130 Å²	130	100.6 Å²	100.6	84%	0.844	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-60	132.6	172.4	25.8	-31.2	0	0	0	108.4
114	E	32.5	Very low	45.9	Very low	178 Å²	178	99.5 Å²	99.5	83%	0.832	70%	0.696	S	S	*	*			trans	-45.6	143.9	172.4	-69.3	-175.9	148.6	0	0	110.6	G112 A116	G112-E114 PolarHBondContact O-N 2.96Å; E114-A116 PolarHBondContact O-N 3.15Å
115	P	36.3	Very low	49	Very low	120 Å²	120	95.4 Å²	95.4	78%	0.779	65%	0.653	S	S	*	*			trans	-59.1	115.5	175.8	24	-30	0	0	0	108	V117	P115-V117 PolarHBondContact O-N 3.42Å
116	A	37.9	Very low	52.1	Low	97 Å²	97	94.2 Å²	94.2	80%	0.802	62%	0.623	S	S	*	*			trans	-50.6	113.3	170.5	0	0	0	0	0	107.7	E114 A118	E114-A116 PolarHBondContact O-N 3.15Å; A116-A118 PolarHBondContact O-N 3.27Å
117	V	39	Very low	55.1	Low	130 Å²	130	92.9 Å²	92.9	79%	0.788	60%	0.597	S	S	*	*			trans	-56.2	106.9	174.3	179.7	0	0	0	0	106	P115 C119	P115-V117 PolarHBondContact O-N 3.42Å; V117-C119 VanDerWaalsContact C-N 3.32Å; V117-C119 PolarHBondContact O-N 2.62Å
118	A	46.5	Very low	57.8	Low	77 Å²	77	97.8 Å²	97.8	64%	0.636	60%	0.595	S	S	*	*			trans	-66.3	98.9	171.6	0	0	0	0	0	106.2	A116 E120	A116-A118 PolarHBondContact O-N 3.27Å; A118-E120 PolarHBondContact O-N 2.88Å; A118-E120 VanDerWaalsContact O-N 3.15Å
119	C	51.6	Low	60.7	Low	112 Å²	112	100.5 Å²	100.5	76%	0.757	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-51.2	123	171.7	-83.5	0	0	0	0	108.2	V117	V117-C119 VanDerWaalsContact C-N 3.32Å; V117-C119 PolarHBondContact O-N 2.62Å
120	E	58.3	Low	63.5	Low	139 Å²	139	101.4 Å²	101.4	65%	0.65	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-58.4	133.6	173.3	-62.2	-164.9	142.1	0	0	108.6	L83 A118 V122	L83-E120 HydrophobicContact CD1-CB 4.29Å; L83-E120 HydrophobicContact CD1-CG 3.95Å; A118-E120 PolarHBondContact O-N 2.88Å; A118-E120 VanDerWaalsContact O-N 3.15Å; E120-V122 PolarHBondContact O-N 3.31Å
121	P	67.3	Low	66.5	Low	28 Å²	28	101.5 Å²	101.5	18%	0.182	58%	0.579	C	S	.	*	P	Polyproline II helix	trans	-60.8	133.4	177.3	25	-32.3	0	0	0	108.4	A82 L83 V123	A82-P121 HydrophobicContact CB-CG 3.99Å; L83-P121 VanDerWaalsContact CD2-CD 3.45Å; L83-P121 HydrophobicContact CD2-CG 4.42Å; L83-P121 VanDerWaalsContact CG-CD 3.44Å; L83-P121 HydrophobicContact CG-CG 4.15Å; P121-V123 PolarHBondContact O-N 3.36Å
122	V	82.7	Confident	69.3	Low	78 Å²	78	96.5 Å²	96.5	47%	0.473	55%	0.546	S	S	.	.			trans	-62.6	113.3	175.1	178	0	0	0	0	107.9	E120 K124 G151	E120-V122 PolarHBondContact O-N 3.31Å; V122-K124 HydrophobicContact CG1-CD 4.06Å; V122-K124 HydrophobicContact CG1-CG 4.02Å; V122-G151 PolarHBondContact O-N 3.31Å
123	V	91.6	Very high	72.4	Confident	17 Å²	17	95.9 Å²	95.9	10%	0.103	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	112.8	174.4	-176	0	0	0	0	109.1	L75 I78 A79 P121 L148 Q149 I150	L75-V123 HydrophobicContact CB-CG1 4.07Å; L75-V123 HydrophobicContact CD2-CG1 3.89Å; I78-V123 HydrophobicContact CB-CG1 4.06Å; I78-V123 HydrophobicContact CG2-CG1 3.84Å; I78-V123 HydrophobicContact CG2-CG2 4.17Å; A79-V123 HydrophobicContact CB-CB 4.27Å; A79-V123 HydrophobicContact CB-CG2 3.63Å; P121-V123 PolarHBondContact O-N 3.36Å; V123-L148 HydrophobicContact CG1-CD1 4.07Å; V123-Q149 VanDerWaalsContact CA-O 3.25Å; V123-Q149 WeakPolarHBondContact CA-O 3.19Å; V123-I150 HydrophobicContact CG1-CG1 4.44Å; V123-I150 HydrophobicContact CG2-CG2 4.12Å
124	K	94.4	Very high	75.2	Confident	94 Å²	94	95.3 Å²	95.3	41%	0.409	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	149.7	-178.7	-72.1	-173.7	177.1	-176	0	110.7	V122 Y126 Q149	V122-K124 HydrophobicContact CG1-CD 4.06Å; V122-K124 HydrophobicContact CG1-CG 4.02Å; K124-Y126 HydrophobicContact CB-CD2 4.35Å; K124-Y126 HydrophobicContact CB-CE2 3.62Å; K124-Y126 WeakPolarHBondContact CD-OH 3.38Å; K124-Q149 PolarHBondContact N-O 3.1Å; K124-Q149 PolarHBondContact O-N 2.89Å
125	L	96.3	Very high	78.1	Confident	1 Å²	1	92.7 Å²	92.7	1%	0.005	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	133.1	171.6	-172	66.7	0	0	0	108.9	L71 L75 V132 A141 W142 A146 L148 V157	L71-L125 HydrophobicContact CD1-CD2 3.94Å; L71-L125 HydrophobicContact CD2-CB 4.13Å; L71-L125 HydrophobicContact CD2-CD2 4.05Å; L75-L125 HydrophobicContact CD2-CB 4.4Å; L125-V132 HydrophobicContact CB-CB 4.39Å; L125-V132 HydrophobicContact CB-CG2 4.4Å; L125-V132 HydrophobicContact CD2-CB 4.45Å; L125-V132 HydrophobicContact CD2-CG2 4.22Å; L125-V132 HydrophobicContact CG-CG2 4.11Å; L125-V132 PolarHBondContact O-N 3.37Å; L125-A141 HydrophobicContact CD2-CB 4.18Å; L125-A141 WeakPolarHBondContact CD2-O 3.48Å; L125-W142 HydrophobicContact CD1-CE3 3.86Å; L125-W142 HydrophobicContact CD1-CH2 4.33Å; L125-W142 HydrophobicContact CD1-CZ3 3.64Å; L125-W142 HydrophobicContact CD2-CD2 4.03Å; L125-W142 HydrophobicContact CD2-CE3 3.96Å; L125-W142 HydrophobicContact CD2-CZ3 4.27Å; L125-A146 HydrophobicContact CD1-CB 4.06Å; L125-A146 HydrophobicContact CG-CB 4.49Å; L125-L148 HydrophobicContact CD1-CB 4.08Å; L125-V157 HydrophobicContact CD1-CG2 4.01Å
126	Y	95.9	Very high	81	Confident	59 Å²	59	89.1 Å²	89.1	23%	0.231	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	140.4	177	-64.2	-94	0	0	0	110.2	K124 E130 A131 A146 V147 Q149	K124-Y126 HydrophobicContact CB-CD2 4.35Å; K124-Y126 HydrophobicContact CB-CE2 3.62Å; K124-Y126 WeakPolarHBondContact CD-OH 3.38Å; Y126-E130 CarbonylContact C-O 3.57Å; Y126-E130 WeakPolarHBondContact CA-O 3.36Å; Y126-A131 HydrophobicContact CD1-CB 4.19Å; Y126-A131 HydrophobicContact CE1-CB 3.97Å; Y126-A146 CarbonylContact O-C 3.55Å; Y126-A146 WeakPolarHBondContact O-CA 3.3Å; Y126-A146 VanDerWaalsContact O-CB 3.3Å; Y126-A146 WeakPolarHBondContact O-CB 3.4Å; Y126-V147 PolarHBondContact N-O 2.88Å; Y126-V147 PolarHBondContact O-N 3.4Å; Y126-Q149 HydrophobicContact CD2-CB 4.49Å; Y126-Q149 HydrophobicContact CE2-CB 4.14Å
127	Y	94.7	Very high	83.8	Confident	75 Å²	75	87.7 Å²	87.7	29%	0.294	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	125.7	169.5	-177.7	-119.4	0	0	0	108.5	E129 E130 Q143 A146	Y127-E129 VanDerWaalsContact C-N 3.26Å; Y127-E129 PolarHBondContact O-N 3.47Å; Y127-E130 PolarHBondContact N-O 3.18Å; Y127-E130 PolarHBondContact O-N 3.28Å; Y127-E130 VanDerWaalsContact O-N 3.15Å; Y127-Q143 HydrophobicContact CD1-CB 4.41Å; Y127-Q143 HydrophobicContact CD1-CG 4.36Å; Y127-Q143 HydrophobicContact CD2-CB 3.68Å; Y127-Q143 HydrophobicContact CD2-CG 4.48Å; Y127-Q143 HydrophobicContact CE1-CB 4.29Å; Y127-Q143 HydrophobicContact CE1-CG 4.24Å; Y127-Q143 HydrophobicContact CE2-CB 3.57Å; Y127-Q143 HydrophobicContact CE2-CG 4.39Å; Y127-Q143 HydrophobicContact CG-CB 4.12Å; Y127-Q143 HydrophobicContact CG-CG 4.47Å; Y127-A146 HydrophobicContact CD2-CB 4.11Å
128	R	90.8	Very high	86.5	Confident	196 Å²	196	81.5 Å²	81.5	74%	0.74	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	43.6	-172.9	-56.5	178.8	177.7	-176.3	-2.5	113.1	E130	R128-E130 PolarHBondContact O-N 3.4Å; R128-E130 VanDerWaalsContact O-N 3.14Å
129	E	88.6	Confident	88.7	Confident	190 Å²	190	79.7 Å²	79.7	89%	0.888	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	-1.3	-179.6	-50.6	-174.2	162.4	0	0	115.8	Y127	Y127-E129 VanDerWaalsContact C-N 3.26Å; Y127-E129 PolarHBondContact O-N 3.47Å
130	E	93.1	Very high	90.8	Very high	149 Å²	149	78.8 Å²	78.8	70%	0.696	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	140.8	174.8	-64	-175.6	169.7	0	0	111.2	Y126 Y127 R128 V132	Y126-E130 CarbonylContact C-O 3.57Å; Y126-E130 WeakPolarHBondContact CA-O 3.36Å; Y127-E130 PolarHBondContact N-O 3.18Å; Y127-E130 PolarHBondContact O-N 3.28Å; Y127-E130 VanDerWaalsContact O-N 3.15Å; R128-E130 PolarHBondContact O-N 3.4Å; R128-E130 VanDerWaalsContact O-N 3.14Å; E130-V132 PolarHBondContact O-N 3.4Å
131	A	94.8	Very high	92.5	Very high	64 Å²	64	72.2 Å²	72.2	53%	0.529	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	125.6	175.4	0	0	0	0	0	109.9	Y126 A133	Y126-A131 HydrophobicContact CD1-CB 4.19Å; Y126-A131 HydrophobicContact CE1-CB 3.97Å; A131-A133 PolarHBondContact O-N 3.34Å
132	V	95.8	Very high	93.8	Very high	29 Å²	29	70.9 Å²	70.9	18%	0.176	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-71.8	128.6	176.2	-173.6	0	0	0	0	108.6	L71 L125 E130 V136 A141	L71-V132 HydrophobicContact CD2-CB 3.85Å; L71-V132 HydrophobicContact CD2-CG1 3.67Å; L125-V132 HydrophobicContact CB-CB 4.39Å; L125-V132 HydrophobicContact CB-CG2 4.4Å; L125-V132 HydrophobicContact CD2-CB 4.45Å; L125-V132 HydrophobicContact CD2-CG2 4.22Å; L125-V132 HydrophobicContact CG-CG2 4.11Å; L125-V132 PolarHBondContact O-N 3.37Å; E130-V132 PolarHBondContact O-N 3.4Å; V132-V136 HydrophobicContact CG1-CB 4.09Å; V132-V136 HydrophobicContact CG1-CG1 4.26Å; V132-V136 HydrophobicContact CG1-CG2 4.11Å; V132-A141 HydrophobicContact CG1-CB 4Å
133	A	95.6	Very high	94.3	Very high	50 Å²	50	69.8 Å²	69.8	41%	0.413	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-65.8	143.8	-178.5	0	0	0	0	0	111.6	A131 D135 V136	A131-A133 PolarHBondContact O-N 3.34Å; A133-D135 WeakPolarHBondContact CB-OD1 3.36Å; A133-D135 PolarHBondContact O-N 3.14Å; A133-V136 HydrophobicContact CB-CG2 4.05Å; A133-V136 WeakPolarHBondContact O-CB 3.39Å; A133-V136 WeakPolarHBondContact O-CG2 3.13Å; A133-V136 PolarHBondContact O-N 2.94Å
134	E	94.7	Very high	94.3	Very high	119 Å²	119	72.3 Å²	72.3	56%	0.556	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-17.7	-172.3	-71.9	-171.6	-162.1	0	0	114.1	P70 L71 G72	P70-E134 WeakPolarHBondContact CB-O 3.13Å; L71-E134 PolarHBondContact N-O 2.92Å; G72-E134 PolarHBondContact N-O 2.97Å
135	D	95.1	Very high	94.2	Very high	123 Å²	123	69.4 Å²	69.4	66%	0.658	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-14.3	176.2	63.5	-30.4	0	0	0	113.4	A133 L137	A133-D135 WeakPolarHBondContact CB-OD1 3.36Å; A133-D135 PolarHBondContact O-N 3.14Å; D135-L137 PolarHBondContact O-N 3.1Å
136	V	96.3	Very high	94.1	Very high	45 Å²	45	69.3 Å²	69.3	27%	0.273	36%	0.358	S	S	.	.	S	Bend	trans	-60.4	136.4	173.8	-179.6	0	0	0	0	109.5	L71 V132 A133 D140 A141	L71-V136 WeakPolarHBondContact CB-O 3.43Å; L71-V136 PolarHBondContact N-O 2.76Å; V132-V136 HydrophobicContact CG1-CB 4.09Å; V132-V136 HydrophobicContact CG1-CG1 4.26Å; V132-V136 HydrophobicContact CG1-CG2 4.11Å; A133-V136 HydrophobicContact CB-CG2 4.05Å; A133-V136 WeakPolarHBondContact O-CB 3.39Å; A133-V136 WeakPolarHBondContact O-CG2 3.13Å; A133-V136 PolarHBondContact O-N 2.94Å; V136-D140 HydrophobicContact CG1-CB 3.89Å; V136-A141 HydrophobicContact CB-CB 4.45Å; V136-A141 HydrophobicContact CG1-CB 3.96Å
137	L	96.6	Very high	94.1	Very high	67 Å²	67	68 Å²	68	35%	0.351	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-68.1	145.2	178.7	-58.2	-172.8	0	0	0	110.9	S68 D135 V139 D140 A141	S68-L137 WeakPolarHBondContact O-CD2 3.29Å; D135-L137 PolarHBondContact O-N 3.1Å; L137-V139 HydrophobicContact CB-CG1 4.03Å; L137-V139 PolarHBondContact O-N 2.8Å; L137-V139 VanDerWaalsContact O-N 3.17Å; L137-D140 PolarHBondContact O-N 2.71Å; L137-A141 WeakPolarHBondContact O-CB 3.28Å; L137-A141 PolarHBondContact O-N 2.65Å
138	N	95.6	Very high	94.1	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-49.8	-41.5	177.6	-95.2	-22.9	0	0	0	113.8	L49 D66 Q67 E69 V74 D140 A141 W142	L49-N138 HydrophobicContact CD2-CB 3.66Å; D66-N138 PolarHBondContact O-ND2 3.35Å; Q67-N138 WeakPolarHBondContact O-CB 3.48Å; Q67-N138 PolarHBondContact O-N 3.31Å; E69-N138 WeakPolarHBondContact CG-ND2 3.42Å; E69-N138 PolarHBondContact O-N 3.22Å; E69-N138 PolarHBondContact OE1-ND2 2.98Å; E69-N138 VanDerWaalsContact OE1-ND2 3.15Å; V74-N138 WeakPolarHBondContact CG2-ND2 3.32Å; V74-N138 VanDerWaalsContact CG2-OD1 3.27Å; V74-N138 WeakPolarHBondContact CG2-OD1 3Å; N138-D140 PolarHBondContact O-N 3.46Å; N138-A141 PolarHBondContact O-N 3.08Å; N138-W142 VanDerWaalsContact O-CD1 3.25Å; N138-W142 PolarHBondContact O-N 3.19Å; N138-W142 PolarHBondContact OD1-NE1 3.33Å
139	V	93.6	Very high	94.2	Very high	39 Å²	39	57 Å²	57	24%	0.236	32%	0.315	C	S	.	.	H	α-helix	trans	-57.7	-31.6	177.4	63.9	0	0	0	0	113.5	Q67 L137 R159	Q67-V139 HydrophobicContact CB-CB 4.18Å; Q67-V139 PolarHBondContact O-N 3.38Å; L137-V139 HydrophobicContact CB-CG1 4.03Å; L137-V139 PolarHBondContact O-N 2.8Å; L137-V139 VanDerWaalsContact O-N 3.17Å; V139-R159 VanDerWaalsContact O-CZ 3.31Å; V139-R159 PolarHBondContact O-NH1 2.9Å; V139-R159 PolarHBondContact O-NH2 2.78Å
140	D	94.4	Very high	94.3	Very high	92 Å²	92	48.5 Å²	48.5	49%	0.492	28%	0.276	S	S	.	.	H	α-helix	trans	-99.6	-27.3	-177.4	-59.9	-44.3	0	0	0	112.4	V136 L137 N138 Q143	V136-D140 HydrophobicContact CG1-CB 3.89Å; L137-D140 PolarHBondContact O-N 2.71Å; N138-D140 PolarHBondContact O-N 3.46Å; D140-Q143 WeakPolarHBondContact O-CG 3.16Å; D140-Q143 PolarHBondContact O-NE2 3.17Å
141	A	94.9	Very high	94	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-71.6	-45.6	-176.7	0	0	0	0	0	112.9	L71 L125 V132 V136 L137 N138 Q143	L71-A141 HydrophobicContact CB-CB 4.01Å; L71-A141 HydrophobicContact CD1-CB 3.89Å; L71-A141 HydrophobicContact CD2-CB 3.89Å; L71-A141 HydrophobicContact CG-CB 4.13Å; L125-A141 HydrophobicContact CD2-CB 4.18Å; L125-A141 WeakPolarHBondContact CD2-O 3.48Å; V132-A141 HydrophobicContact CG1-CB 4Å; V136-A141 HydrophobicContact CB-CB 4.45Å; V136-A141 HydrophobicContact CG1-CB 3.96Å; L137-A141 WeakPolarHBondContact O-CB 3.28Å; L137-A141 PolarHBondContact O-N 2.65Å; N138-A141 PolarHBondContact O-N 3.08Å; A141-Q143 VanDerWaalsContact C-N 3.33Å; A141-Q143 PolarHBondContact O-N 3.02Å
142	W	94.9	Very high	93.5	Very high	1 Å²	1	47.1 Å²	47.1	0%	0.004	27%	0.269	C	S	.	.	S	Bend	trans	-83.8	73.7	-172.5	-64.4	100.4	0	0	0	112	V40 L51 L71 V74 L75 I78 L125 N138 L148 V157 R159	V40-W142 HydrophobicContact CB-CB 4.36Å; V40-W142 HydrophobicContact CG1-CB 3.81Å; V40-W142 HydrophobicContact CG1-CG 4.28Å; V40-W142 HydrophobicContact CG2-CB 4.06Å; V40-W142 HydrophobicContact CG2-CD2 4.04Å; V40-W142 HydrophobicContact CG2-CE3 3.76Å; V40-W142 HydrophobicContact CG2-CG 4.17Å; L51-W142 HydrophobicContact CD1-CE3 4.25Å; L51-W142 HydrophobicContact CD1-CH2 4.19Å; L51-W142 HydrophobicContact CD1-CZ3 3.91Å; L51-W142 HydrophobicContact CD2-CH2 3.66Å; L51-W142 HydrophobicContact CD2-CZ2 3.9Å; L51-W142 HydrophobicContact CD2-CZ3 4.23Å; L71-W142 HydrophobicContact CD1-CZ2 3.83Å; V74-W142 HydrophobicContact CG1-CZ2 3.89Å; L75-W142 HydrophobicContact CD2-CH2 4.38Å; L75-W142 HydrophobicContact CD2-CZ2 4.41Å; I78-W142 HydrophobicContact CD1-CH2 4.22Å; L125-W142 HydrophobicContact CD1-CE3 3.86Å; L125-W142 HydrophobicContact CD1-CH2 4.33Å; L125-W142 HydrophobicContact CD1-CZ3 3.64Å; L125-W142 HydrophobicContact CD2-CD2 4.03Å; L125-W142 HydrophobicContact CD2-CE3 3.96Å; L125-W142 HydrophobicContact CD2-CZ3 4.27Å; N138-W142 VanDerWaalsContact O-CD1 3.25Å; N138-W142 PolarHBondContact O-N 3.19Å; N138-W142 PolarHBondContact OD1-NE1 3.33Å; W142-L148 HydrophobicContact CH2-CD1 3.98Å; W142-L148 HydrophobicContact CH2-CD2 4.1Å; W142-L148 HydrophobicContact CH2-CG 4.48Å; W142-L148 HydrophobicContact CZ3-CB 4.24Å; W142-L148 HydrophobicContact CZ3-CD1 4.33Å; W142-L148 HydrophobicContact CZ3-CD2 4.16Å; W142-L148 HydrophobicContact CZ3-CG 4.48Å; W142-V157 HydrophobicContact CE3-CG1 4.33Å; W142-V157 HydrophobicContact CE3-CG2 4.01Å; W142-V157 HydrophobicContact CZ3-CG2 4.1Å; W142-R159 WeakPolarHBondContact O-CD 3.31Å; W142-R159 PolarHBondContact O-NH1 2.64Å
143	Q	93.4	Very high	93.1	Very high	55 Å²	55	47.7 Å²	47.7	26%	0.257	27%	0.272	S	S	.	.			trans	-81.8	151.4	178.2	-62.8	-59.3	-30.1	0	0	112.6	Y127 D140 A141 G145 A146 V157	Y127-Q143 HydrophobicContact CD1-CB 4.41Å; Y127-Q143 HydrophobicContact CD1-CG 4.36Å; Y127-Q143 HydrophobicContact CD2-CB 3.68Å; Y127-Q143 HydrophobicContact CD2-CG 4.48Å; Y127-Q143 HydrophobicContact CE1-CB 4.29Å; Y127-Q143 HydrophobicContact CE1-CG 4.24Å; Y127-Q143 HydrophobicContact CE2-CB 3.57Å; Y127-Q143 HydrophobicContact CE2-CG 4.39Å; Y127-Q143 HydrophobicContact CG-CB 4.12Å; Y127-Q143 HydrophobicContact CG-CG 4.47Å; D140-Q143 WeakPolarHBondContact O-CG 3.16Å; D140-Q143 PolarHBondContact O-NE2 3.17Å; A141-Q143 VanDerWaalsContact C-N 3.33Å; A141-Q143 PolarHBondContact O-N 3.02Å; Q143-G145 PolarHBondContact O-N 3.36Å; Q143-A146 WeakPolarHBondContact O-CB 3.3Å; Q143-A146 PolarHBondContact O-N 3.06Å; Q143-A146 VanDerWaalsContact O-N 3.11Å; Q143-V157 WeakPolarHBondContact O-CG1 3.5Å
144	D	91.9	Very high	92.9	Very high	69 Å²	69	50.2 Å²	50.2	37%	0.369	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	133.2	173.5	-163	63.9	0	0	0	110.5	A146 E158 R159 R257	D144-A146 VanDerWaalsContact C-N 3.25Å; D144-A146 PolarHBondContact O-N 2.8Å; D144-E158 WeakPolarHBondContact OD1-CA 3.4Å; D144-R159 HydrophobicContact CB-CB 3.97Å; D144-R159 PolarHBondContact OD1-N 2.76Å; D144-R257 IonicContact OD1-CZ 2.71Å; D144-R257 IonicContact OD1-NH1 4Å; D144-R257 PolarHBondContact OD1-NH1 3.14Å; D144-R257 IonicContact OD1-NH2 2.8Å; D144-R257 IonicContact OD2-CZ 3.16Å; D144-R257 IonicContact OD2-NH1 3.72Å; D144-R257 PolarHBondContact OD2-NH1 2.92Å
145	G	90.6	Very high	92.8	Very high	33 Å²	33	44.7 Å²	44.7	34%	0.34	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	2.1	-175.3	0	0	0	0	0	115	Q143 V157	Q143-G145 PolarHBondContact O-N 3.36Å; G145-V157 PolarHBondContact N-O 3.41Å
146	A	95.4	Very high	92.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.239	C	C	.	.			trans	-60.7	162	167	0	0	0	0	0	111.1	L125 Y126 Y127 Q143 D144 V157	L125-A146 HydrophobicContact CD1-CB 4.06Å; L125-A146 HydrophobicContact CG-CB 4.49Å; Y126-A146 CarbonylContact O-C 3.55Å; Y126-A146 WeakPolarHBondContact O-CA 3.3Å; Y126-A146 VanDerWaalsContact O-CB 3.3Å; Y126-A146 WeakPolarHBondContact O-CB 3.4Å; Y127-A146 HydrophobicContact CD2-CB 4.11Å; Q143-A146 WeakPolarHBondContact O-CB 3.3Å; Q143-A146 PolarHBondContact O-N 3.06Å; Q143-A146 VanDerWaalsContact O-N 3.11Å; D144-A146 VanDerWaalsContact C-N 3.25Å; D144-A146 PolarHBondContact O-N 2.8Å; A146-V157 HydrophobicContact CB-CB 3.97Å; A146-V157 HydrophobicContact CB-CG2 4Å; A146-V157 WeakPolarHBondContact O-CB 3.25Å; A146-V157 WeakPolarHBondContact O-CG2 3.33Å; A146-V157 PolarHBondContact O-N 3.14Å
147	V	95.7	Very high	92.6	Very high	31 Å²	31	41.8 Å²	41.8	19%	0.188	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	111.4	179.7	-178.9	0	0	0	0	109	M35 Y126 K154 Y155	M35-V147 HydrophobicContact SD-CG1 4.13Å; M35-V147 HydrophobicContact SD-CG2 4.24Å; Y126-V147 PolarHBondContact N-O 2.88Å; Y126-V147 PolarHBondContact O-N 3.4Å; V147-K154 HydrophobicContact CG1-CB 3.86Å; V147-K154 HydrophobicContact CG1-CD 4.25Å; V147-K154 HydrophobicContact CG1-CG 4.17Å; V147-Y155 CarbonylContact C-O 3.58Å; V147-Y155 VanDerWaalsContact CA-O 3.31Å; V147-Y155 WeakPolarHBondContact CA-O 3.36Å
148	L	94.8	Very high	92.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	122.9	168.9	173.3	64.2	0	0	0	108.1	F53 L75 I78 V123 L125 W142 I150 Y155 V157	F53-L148 HydrophobicContact CD1-CD2 4.47Å; F53-L148 HydrophobicContact CE1-CD2 4.29Å; F53-L148 HydrophobicContact CZ-CD2 4.47Å; L75-L148 HydrophobicContact CD2-CD1 4.02Å; I78-L148 HydrophobicContact CD1-CD1 4.4Å; I78-L148 HydrophobicContact CD1-CD2 4.3Å; V123-L148 HydrophobicContact CG1-CD1 4.07Å; L125-L148 HydrophobicContact CD1-CB 4.08Å; W142-L148 HydrophobicContact CH2-CD1 3.98Å; W142-L148 HydrophobicContact CH2-CD2 4.1Å; W142-L148 HydrophobicContact CH2-CG 4.48Å; W142-L148 HydrophobicContact CZ3-CB 4.24Å; W142-L148 HydrophobicContact CZ3-CD1 4.33Å; W142-L148 HydrophobicContact CZ3-CD2 4.16Å; W142-L148 HydrophobicContact CZ3-CG 4.48Å; L148-I150 HydrophobicContact CD1-CG1 4.41Å; L148-I150 HydrophobicContact CD2-CD1 4.08Å; L148-I150 HydrophobicContact CD2-CG1 4.35Å; L148-I150 HydrophobicContact CG-CD1 4.37Å; L148-I150 HydrophobicContact CG-CG1 4.09Å; L148-Y155 HydrophobicContact CG-CD2 4.37Å; L148-Y155 PolarHBondContact N-O 3.08Å; L148-Y155 WeakPolarHBondContact O-CD2 3.41Å; L148-Y155 PolarHBondContact O-N 2.84Å; L148-V157 HydrophobicContact CB-CG2 4.31Å
149	Q	92.9	Very high	92.3	Very high	39 Å²	39	42.2 Å²	42.2	18%	0.182	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	129.9	173.2	-177.7	173.4	-10.6	0	0	109.2	V123 K124 Y126 G151 V153 K154	V123-Q149 VanDerWaalsContact CA-O 3.25Å; V123-Q149 WeakPolarHBondContact CA-O 3.19Å; K124-Q149 PolarHBondContact N-O 3.1Å; K124-Q149 PolarHBondContact O-N 2.89Å; Y126-Q149 HydrophobicContact CD2-CB 4.49Å; Y126-Q149 HydrophobicContact CE2-CB 4.14Å; Q149-G151 WeakPolarHBondContact CG-O 3.5Å; Q149-G151 PolarHBondContact NE2-O 2.89Å; Q149-V153 WeakPolarHBondContact CA-O 3.24Å; Q149-K154 HydrophobicContact CG-CG 4.39Å
150	I	90.6	Very high	92.3	Very high	12 Å²	12	41.7 Å²	41.7	6%	0.062	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	102.5	173.1	-52.2	176.3	0	0	0	107.3	F53 L55 I78 A82 V123 L148 D152 V153 Y155	F53-I150 HydrophobicContact CD2-CD1 4.15Å; F53-I150 HydrophobicContact CE2-CD1 3.39Å; F53-I150 HydrophobicContact CZ-CD1 3.85Å; L55-I150 HydrophobicContact CD2-CD1 4.12Å; I78-I150 HydrophobicContact CG2-CD1 3.51Å; I78-I150 HydrophobicContact CG2-CG1 3.97Å; A82-I150 HydrophobicContact CB-CG2 4.07Å; V123-I150 HydrophobicContact CG1-CG1 4.44Å; V123-I150 HydrophobicContact CG2-CG2 4.12Å; L148-I150 HydrophobicContact CD1-CG1 4.41Å; L148-I150 HydrophobicContact CD2-CD1 4.08Å; L148-I150 HydrophobicContact CD2-CG1 4.35Å; L148-I150 HydrophobicContact CG-CD1 4.37Å; L148-I150 HydrophobicContact CG-CG1 4.09Å; I150-D152 PolarHBondContact O-N 3.48Å; I150-V153 PolarHBondContact N-O 3.49Å; I150-V153 PolarHBondContact O-N 2.77Å; I150-V153 VanDerWaalsContact O-N 3.15Å; I150-Y155 HydrophobicContact CB-CE2 3.95Å; I150-Y155 HydrophobicContact CD1-CD2 4.11Å; I150-Y155 HydrophobicContact CD1-CE2 3.59Å; I150-Y155 HydrophobicContact CG1-CD2 4.17Å; I150-Y155 HydrophobicContact CG1-CE2 3.77Å
151	G	87.1	Confident	92.2	Very high	19 Å²	19	37.7 Å²	37.7	20%	0.196	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	-121.5	-170	0	0	0	0	0	110.7	V122 Q149	V122-G151 PolarHBondContact O-N 3.31Å; Q149-G151 WeakPolarHBondContact CG-O 3.5Å; Q149-G151 PolarHBondContact NE2-O 2.89Å
152	D	83.8	Confident	92.2	Very high	166 Å²	166	37.7 Å²	37.7	89%	0.888	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-6.9	179.7	-59.7	-39.6	0	0	0	113.4	I150	I150-D152 PolarHBondContact O-N 3.48Å
153	V	86.7	Confident	92.2	Very high	41 Å²	41	38.6 Å²	38.6	25%	0.248	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	133.5	-176.9	-171.4	0	0	0	0	110	A56 Q149 I150 Y155	A56-V153 HydrophobicContact CB-CG2 4.18Å; Q149-V153 WeakPolarHBondContact CA-O 3.24Å; I150-V153 PolarHBondContact N-O 3.49Å; I150-V153 PolarHBondContact O-N 2.77Å; I150-V153 VanDerWaalsContact O-N 3.15Å; V153-Y155 HydrophobicContact CB-CE2 3.99Å; V153-Y155 HydrophobicContact CG1-CD2 4.41Å; V153-Y155 HydrophobicContact CG1-CE1 4.04Å; V153-Y155 HydrophobicContact CG1-CE2 3.7Å; V153-Y155 VanDerWaalsContact CG1-CZ 3.5Å
154	K	91.3	Very high	92.1	Very high	103 Å²	103	36.6 Å²	36.6	45%	0.448	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.9	176.1	-66.9	-177	179.7	-176.5	0	109.9	M35 E36 V147 Q149	M35-K154 WeakPolarHBondContact CB-O 3.33Å; M35-K154 HydrophobicContact CG-CB 4.17Å; M35-K154 HydrophobicContact SD-CB 3.97Å; E36-K154 PolarHBondContact N-O 2.85Å; V147-K154 HydrophobicContact CG1-CB 3.86Å; V147-K154 HydrophobicContact CG1-CD 4.25Å; V147-K154 HydrophobicContact CG1-CG 4.17Å; Q149-K154 HydrophobicContact CG-CG 4.39Å
155	Y	92.4	Very high	92.1	Very high	2 Å²	2	37 Å²	37	1%	0.008	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125.8	177.2	-53.2	-93.4	0	0	0	109.5	E36 F53 A54 V147 L148 I150 V153	E36-Y155 HydrophobicContact CB-CD1 3.47Å; E36-Y155 VanDerWaalsContact CB-CD1 3.47Å; E36-Y155 HydrophobicContact CB-CE1 3.68Å; E36-Y155 HydrophobicContact CB-CG 4.44Å; E36-Y155 HydrophobicContact CG-CE1 4.44Å; E36-Y155 CarbonylContact O-C 3.56Å; E36-Y155 WeakPolarHBondContact O-CA 3.44Å; E36-Y155 VanDerWaalsContact OE2-CE1 3.28Å; E36-Y155 WeakPolarHBondContact OE2-CE1 3.48Å; F53-Y155 HydrophobicContact CB-CD1 4.34Å; F53-Y155 HydrophobicContact CD2-CE1 4.31Å; A54-Y155 WeakPolarHBondContact O-CE1 3.48Å; A54-Y155 PolarHBondContact O-OH 3.42Å; V147-Y155 CarbonylContact C-O 3.58Å; V147-Y155 VanDerWaalsContact CA-O 3.31Å; V147-Y155 WeakPolarHBondContact CA-O 3.36Å; L148-Y155 HydrophobicContact CG-CD2 4.37Å; L148-Y155 PolarHBondContact N-O 3.08Å; L148-Y155 WeakPolarHBondContact O-CD2 3.41Å; L148-Y155 PolarHBondContact O-N 2.84Å; I150-Y155 HydrophobicContact CB-CE2 3.95Å; I150-Y155 HydrophobicContact CD1-CD2 4.11Å; I150-Y155 HydrophobicContact CD1-CE2 3.59Å; I150-Y155 HydrophobicContact CG1-CD2 4.17Å; I150-Y155 HydrophobicContact CG1-CE2 3.77Å; V153-Y155 HydrophobicContact CB-CE2 3.99Å; V153-Y155 HydrophobicContact CG1-CD2 4.41Å; V153-Y155 HydrophobicContact CG1-CE1 4.04Å; V153-Y155 HydrophobicContact CG1-CE2 3.7Å; V153-Y155 VanDerWaalsContact CG1-CZ 3.5Å
156	K	93.5	Very high	92.2	Very high	107 Å²	107	39 Å²	39	47%	0.465	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	124.5	169.8	-172.1	179.9	179.3	-175.2	0	109	M35 E36 A38	M35-K156 HydrophobicContact CB-CB 4.4Å; E36-K156 PolarHBondContact O-N 3.4Å; A38-K156 PolarHBondContact N-O 3.4Å
157	V	94.4	Very high	92	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	126.9	176.3	178.8	0	0	0	0	109.1	A38 V40 L125 W142 Q143 G145 A146 L148	A38-V157 HydrophobicContact CB-CG2 4.45Å; A38-V157 CarbonylContact O-C 3.4Å; A38-V157 VanDerWaalsContact O-CA 3.26Å; A38-V157 WeakPolarHBondContact O-CA 3.39Å; V40-V157 HydrophobicContact CB-CG1 4.32Å; V40-V157 HydrophobicContact CG2-CG1 3.77Å; L125-V157 HydrophobicContact CD1-CG2 4.01Å; W142-V157 HydrophobicContact CE3-CG1 4.33Å; W142-V157 HydrophobicContact CE3-CG2 4.01Å; W142-V157 HydrophobicContact CZ3-CG2 4.1Å; Q143-V157 WeakPolarHBondContact O-CG1 3.5Å; G145-V157 PolarHBondContact N-O 3.41Å; A146-V157 HydrophobicContact CB-CB 3.97Å; A146-V157 HydrophobicContact CB-CG2 4Å; A146-V157 WeakPolarHBondContact O-CB 3.25Å; A146-V157 WeakPolarHBondContact O-CG2 3.33Å; A146-V157 PolarHBondContact O-N 3.14Å; L148-V157 HydrophobicContact CB-CG2 4.31Å
158	E	92.4	Very high	92	Very high	32 Å²	32	42.5 Å²	42.5	15%	0.15	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	106.5	169.7	-68	177.2	-163.8	0	0	107.6	R37 A38 V39 V40 D144 P161	R37-E158 IonicContact CZ-OE1 3.8Å; R37-E158 IonicContact CZ-OE2 3.96Å; R37-E158 VanDerWaalsContact CZ-OE2 3.3Å; R37-E158 VanDerWaalsContact NE-CD 3.28Å; R37-E158 IonicContact NE-OE1 3.36Å; R37-E158 PolarHBondContact NE-OE1 3.14Å; R37-E158 IonicContact NE-OE2 2.78Å; R37-E158 PolarHBondContact NE-OE2 3.17Å; R37-E158 VanDerWaalsContact NE-OE2 3.17Å; R37-E158 IonicContact NH2-OE1 2.72Å; R37-E158 IonicContact NH2-OE2 3.41Å; R37-E158 PolarHBondContact NH2-OE2 3.48Å; A38-E158 PolarHBondContact O-N 2.9Å; V39-E158 WeakPolarHBondContact CA-O 3.32Å; V40-E158 PolarHBondContact N-O 3.23Å; D144-E158 WeakPolarHBondContact OD1-CA 3.4Å; E158-P161 HydrophobicContact CB-CB 4.48Å; E158-P161 HydrophobicContact CB-CG 4.41Å
159	R	93.1	Very high	92.1	Very high	44 Å²	44	43.7 Å²	43.7	17%	0.166	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	126.5	178.9	-169.5	-167.6	-176.1	146.4	2.9	108.2	V40 C42 V139 W142 D144 R257	V40-R159 CarbonylContact O-C 3.6Å; V40-R159 WeakPolarHBondContact O-CA 3.46Å; C42-R159 PolarHBondContact SG-NH2 3.17Å; V139-R159 VanDerWaalsContact O-CZ 3.31Å; V139-R159 PolarHBondContact O-NH1 2.9Å; V139-R159 PolarHBondContact O-NH2 2.78Å; W142-R159 WeakPolarHBondContact O-CD 3.31Å; W142-R159 PolarHBondContact O-NH1 2.64Å; D144-R159 HydrophobicContact CB-CB 3.97Å; D144-R159 PolarHBondContact OD1-N 2.76Å; R159-R257 PolarHBondContact O-NH2 3.41Å
160	N	93.1	Very high	92.2	Very high	29 Å²	29	43.1 Å²	43.1	16%	0.155	22%	0.223	C	C	.	.	S	Bend	trans	49	53.3	176.4	-65.6	-6.7	0	0	0	112.5	V40 R41 C42 F187 R257	V40-N160 PolarHBondContact O-N 2.73Å; V40-N160 PolarHBondContact O-OD1 3.34Å; R41-N160 WeakPolarHBondContact CA-OD1 3.3Å; C42-N160 PolarHBondContact N-OD1 2.95Å; C42-N160 PolarHBondContact O-ND2 2.9Å; C42-N160 PolarHBondContact O-OD1 2.8Å; N160-F187 HydrophobicContact CB-CB 4.29Å; N160-F187 HydrophobicContact CB-CD1 3.59Å; N160-F187 HydrophobicContact CB-CD2 3.72Å; N160-F187 HydrophobicContact CB-CE1 3.68Å; N160-F187 HydrophobicContact CB-CE2 3.83Å; N160-F187 HydrophobicContact CB-CG 3.59Å; N160-F187 HydrophobicContact CB-CZ 3.78Å; N160-F187 VanDerWaalsContact CG-CE1 3.42Å; N160-F187 WeakPolarHBondContact ND2-CE1 3.46Å; N160-F187 VanDerWaalsContact O-CB 3.26Å; N160-F187 WeakPolarHBondContact O-CB 3.28Å; N160-F187 WeakPolarHBondContact OD1-CZ 3.42Å; N160-R257 PolarHBondContact O-NH2 2.76Å
161	P	93.2	Very high	92.5	Very high	8 Å²	8	52.3 Å²	52.3	5%	0.052	26%	0.257	C	S	.	.			trans	-65.7	152.4	173.6	30.4	-34.1	0	0	0	109.7	V39 E158 A163	V39-P161 HydrophobicContact CG1-CG 3.68Å; V39-P161 HydrophobicContact CG2-CG 4.38Å; E158-P161 HydrophobicContact CB-CB 4.48Å; E158-P161 HydrophobicContact CB-CG 4.41Å; P161-A163 PolarHBondContact O-N 3.02Å
162	P	95.5	Very high	93	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.257	C	S	.	.			trans	-53.9	131.1	174.5	-24.6	33.5	0	0	0	110.7	E186 P252 D254 R257 G259	P162-E186 WeakPolarHBondContact CA-O 3.29Å; P162-P252 HydrophobicContact CB-CB 3.95Å; P162-P252 HydrophobicContact CB-CG 4.45Å; P162-P252 WeakPolarHBondContact O-CG 3.48Å; P162-D254 HydrophobicContact CG-CB 3.79Å; P162-R257 HydrophobicContact CG-CG 4.44Å; P162-G259 VanDerWaalsContact O-CA 3.28Å; P162-G259 WeakPolarHBondContact O-CA 3.49Å
163	A	93.6	Very high	93.7	Very high	21 Å²	21	45.7 Å²	45.7	17%	0.174	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	136.2	-178.7	0	0	0	0	0	112.4	P161 T165 L185 E186	P161-A163 PolarHBondContact O-N 3.02Å; A163-T165 PolarHBondContact O-N 2.86Å; A163-L185 WeakPolarHBondContact O-CD1 3.31Å; A163-E186 HydrophobicContact CB-CG 3.94Å; A163-E186 PolarHBondContact N-O 3.48Å; A163-E186 WeakPolarHBondContact O-CG 3.32Å; A163-E186 PolarHBondContact O-N 3.2Å
164	F	92.8	Very high	94.3	Very high	13 Å²	13	43.8 Å²	43.8	6%	0.057	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	114.4	169.8	-67.7	-62.7	0	0	0	109.8	L167 L183 S184 L185 F195 C250 P252 R262	F164-L167 HydrophobicContact CB-CD1 4.47Å; F164-L167 HydrophobicContact CD1-CD1 4.35Å; F164-L167 HydrophobicContact CD2-CD1 4.37Å; F164-L167 HydrophobicContact CG-CD1 4.16Å; F164-L183 HydrophobicContact CD1-CB 4.41Å; F164-L183 HydrophobicContact CE1-CB 4.28Å; F164-L183 HydrophobicContact CE1-CD1 4.29Å; F164-L183 HydrophobicContact CE1-CD2 4.41Å; F164-S184 CarbonylContact C-O 3.6Å; F164-S184 WeakPolarHBondContact CA-O 3.19Å; F164-L185 HydrophobicContact CD1-CB 4.34Å; F164-L185 HydrophobicContact CD1-CD1 3.53Å; F164-L185 HydrophobicContact CD1-CG 4.47Å; F164-L185 HydrophobicContact CE1-CD1 3.66Å; F164-L185 HydrophobicContact CE1-CG 4.46Å; F164-L185 HydrophobicContact CG-CD1 4.1Å; F164-L185 HydrophobicContact CZ-CD1 4.33Å; F164-F195 HydrophobicContact CZ-CE1 4.31Å; F164-C250 HydrophobicContact CE2-CB 3.7Å; F164-C250 WeakPolarHBondContact CE2-SG 3.34Å; F164-C250 HydrophobicContact CZ-CB 3.98Å; F164-P252 HydrophobicContact CD2-CB 3.91Å; F164-P252 HydrophobicContact CD2-CG 4Å; F164-P252 HydrophobicContact CE1-CB 4.46Å; F164-P252 HydrophobicContact CE2-CB 3.77Å; F164-P252 VanDerWaalsContact CE2-CD 3.5Å; F164-P252 HydrophobicContact CE2-CG 4.09Å; F164-P252 HydrophobicContact CG-CB 4.33Å; F164-P252 HydrophobicContact CZ-CB 4.05Å; F164-R262 PolarHBondContact O-NH1 3.05Å
165	T	90.9	Very high	94.6	Very high	76 Å²	76	39.1 Å²	39.1	47%	0.466	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-34.8	174.8	54.8	0	0	0	0	111.6	A163 S184 E186	A163-T165 PolarHBondContact O-N 2.86Å; T165-S184 PolarHBondContact N-O 3.33Å; T165-S184 WeakPolarHBondContact OG1-CB 3.48Å; T165-S184 PolarHBondContact OG1-O 3.36Å; T165-S184 VanDerWaalsContact OG1-O 3.14Å; T165-E186 HydrophobicContact CG2-CB 4.08Å; T165-E186 HydrophobicContact CG2-CG 3.7Å
166	E	91.9	Very high	94.9	Very high	77 Å²	77	40.5 Å²	40.5	36%	0.36	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	140.8	171.3	-59.4	-177.8	-160	0	0	110.4	K182 L183 S184	E166-K182 WeakPolarHBondContact OE2-CE 3.36Å; E166-K182 IonicContact OE2-NZ 3.59Å; E166-K182 PolarHBondContact OE2-NZ 3.14Å; E166-L183 WeakPolarHBondContact O-CA 3.47Å; E166-S184 PolarHBondContact N-O 3.44Å; E166-S184 PolarHBondContact O-N 3.43Å
167	L	92.9	Very high	95.1	Very high	10 Å²	10	35.5 Å²	35.5	5%	0.052	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	112	177.8	-161.6	80	0	0	0	108.5	F164 K182 L183 C250 R262 L264	F164-L167 HydrophobicContact CB-CD1 4.47Å; F164-L167 HydrophobicContact CD1-CD1 4.35Å; F164-L167 HydrophobicContact CD2-CD1 4.37Å; F164-L167 HydrophobicContact CG-CD1 4.16Å; L167-K182 WeakPolarHBondContact CA-O 3.48Å; L167-L183 HydrophobicContact CD1-CD2 3.2Å; L167-L183 HydrophobicContact CG-CD2 4.39Å; L167-C250 VanDerWaalsContact CD1-SG 3.5Å; L167-R262 HydrophobicContact CD2-CB 3.8Å; L167-L264 HydrophobicContact CD2-CB 4.23Å; L167-L264 HydrophobicContact CD2-CD2 4.06Å; L167-L264 HydrophobicContact CG-CD1 4.31Å; L167-L264 HydrophobicContact CG-CD2 4.29Å
168	Q	95.1	Very high	95.3	Very high	94 Å²	94	36 Å²	36	44%	0.439	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	142.2	-179.4	-51.8	-179.6	10.6	0	0	111.3	P181 K182	Q168-P181 WeakPolarHBondContact O-CA 3.32Å; Q168-K182 HydrophobicContact CB-CB 4.15Å; Q168-K182 PolarHBondContact N-O 3.14Å; Q168-K182 PolarHBondContact O-N 3.35Å
169	L	96.4	Very high	95.6	Very high	25 Å²	25	34.5 Å²	34.5	13%	0.131	17%	0.173	C	C	.	.			trans	-99.2	152.1	169.7	-80	175.4	0	0	0	110.3	V179 P181 W197 L264	L169-V179 HydrophobicContact CD2-CG1 3.93Å; L169-P181 HydrophobicContact CD2-CB 4.22Å; L169-W197 HydrophobicContact CD2-CH2 3.47Å; L169-W197 VanDerWaalsContact CD2-CH2 3.47Å; L169-W197 HydrophobicContact CD2-CZ3 3.94Å; L169-L264 HydrophobicContact CB-CD1 3.94Å; L169-L264 HydrophobicContact CB-CG 4.38Å; L169-L264 HydrophobicContact CD1-CD1 4.13Å; L169-L264 HydrophobicContact CD1-CD2 3.9Å; L169-L264 HydrophobicContact CD1-CG 3.61Å; L169-L264 HydrophobicContact CD2-CD2 4.28Å; L169-L264 HydrophobicContact CG-CD1 3.54Å; L169-L264 HydrophobicContact CG-CD2 3.73Å; L169-L264 HydrophobicContact CG-CG 3.55Å; L169-L264 VanDerWaalsContact N-CD1 3.27Å
170	P	96.3	Very high	95.9	Very high	27 Å²	27	32.6 Å²	32.6	18%	0.175	17%	0.166	C	C	.	.			trans	-54.3	144.9	169.4	-25	35	0	0	0	112.2	Y172 I173 V179	P170-Y172 VanDerWaalsContact C-N 3.32Å; P170-I173 HydrophobicContact CB-CG1 4.37Å; P170-V179 HydrophobicContact CG-CG1 3.93Å
171	R	95.4	Very high	96.1	Very high	204 Å²	204	31.2 Å²	31.2	77%	0.77	16%	0.159	S	C	*	.	S	Bend	trans	-79.9	-16.7	175.9	-67.9	-174.8	174.4	-168.2	-0.4	113.4	C268	R171-C268 VanDerWaalsContact C-SG 3.57Å; R171-C268 VanDerWaalsContact O-CB 3.32Å; R171-C268 WeakPolarHBondContact O-CB 3.44Å; R171-C268 PolarHBondContact O-SG 3.41Å
172	Y	97.5	Very high	96.2	Very high	47 Å²	47	32.1 Å²	32.1	18%	0.184	16%	0.162	C	C	.	.			trans	-131	126.2	-180	-161.3	-87.4	0	0	0	108.5	P170 M174 E271 D329 Y330 N333	P170-Y172 VanDerWaalsContact C-N 3.32Å; Y172-M174 HydrophobicContact CD1-CE 4.3Å; Y172-M174 HydrophobicContact CD1-CG 4.01Å; Y172-M174 HydrophobicContact CD1-SD 4.41Å; Y172-M174 HydrophobicContact CE1-CE 4.02Å; Y172-M174 HydrophobicContact CE1-CG 3.51Å; Y172-M174 HydrophobicContact CE1-SD 3.65Å; Y172-E271 PolarHBondContact OH-OE2 2.81Å; Y172-D329 HydrophobicContact CG-CB 4.37Å; Y172-Y330 AromaticContact CE1-CD2 3.89Å; Y172-Y330 HydrophobicContact CE1-CD2 3.89Å; Y172-N333 PolarHBondContact O-ND2 3.01Å
173	I	98.7	Very high	96.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	126.7	-172.8	-64.8	175.3	0	0	0	108.2	P170 V179 P237 L246 V270 E271	P170-I173 HydrophobicContact CB-CG1 4.37Å; I173-V179 HydrophobicContact CB-CG2 4.42Å; I173-V179 HydrophobicContact CD1-CG1 4.28Å; I173-V179 HydrophobicContact CD1-CG2 4.36Å; I173-V179 HydrophobicContact CG1-CG2 4.15Å; I173-V179 HydrophobicContact CG2-CG2 3.57Å; I173-P237 HydrophobicContact CG2-CG 3.74Å; I173-L246 HydrophobicContact CD1-CD1 4.23Å; I173-L246 HydrophobicContact CG2-CD1 4.15Å; I173-V270 HydrophobicContact CG2-CB 4.34Å; I173-V270 HydrophobicContact CG2-CG1 4.4Å; I173-V270 HydrophobicContact CG2-CG2 3.84Å; I173-E271 PolarHBondContact O-N 2.93Å
174	M	98.6	Very high	96	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	146.1	179.3	-71.5	-175.8	-72.7	0	0	112.6	Y172 G176 F177 E271 Y330 N333 L334	Y172-M174 HydrophobicContact CD1-CE 4.3Å; Y172-M174 HydrophobicContact CD1-CG 4.01Å; Y172-M174 HydrophobicContact CD1-SD 4.41Å; Y172-M174 HydrophobicContact CE1-CE 4.02Å; Y172-M174 HydrophobicContact CE1-CG 3.51Å; Y172-M174 HydrophobicContact CE1-SD 3.65Å; M174-G176 PolarHBondContact O-N 3.37Å; M174-F177 HydrophobicContact CB-CB 4.08Å; M174-F177 HydrophobicContact CB-CD2 3.62Å; M174-F177 HydrophobicContact CB-CE2 4.42Å; M174-F177 HydrophobicContact CB-CG 4.02Å; M174-F177 HydrophobicContact CE-CD1 4.06Å; M174-F177 HydrophobicContact CE-CD2 4.18Å; M174-F177 HydrophobicContact CE-CE1 4.24Å; M174-F177 HydrophobicContact CE-CE2 4.38Å; M174-F177 HydrophobicContact CE-CG 4.05Å; M174-F177 HydrophobicContact CE-CZ 4.4Å; M174-F177 PolarHBondContact O-N 3.3Å; M174-E271 CarbonylContact C-O 3.58Å; M174-E271 WeakPolarHBondContact CA-O 3.42Å; M174-Y330 HydrophobicContact CE-CD2 4.28Å; M174-Y330 HydrophobicContact CE-CE2 4.22Å; M174-Y330 HydrophobicContact SD-CD2 4.18Å; M174-Y330 HydrophobicContact SD-CE2 3.81Å; M174-N333 HydrophobicContact CE-CB 3.32Å; M174-L334 HydrophobicContact CE-CD1 3.64Å
175	A	98.6	Very high	96	Very high	6 Å²	6	34.8 Å²	34.8	5%	0.05	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	130.3	168.7	0	0	0	0	0	110.9	F177 N239 I242 V270 E271	A175-F177 VanDerWaalsContact C-N 3.33Å; A175-F177 WeakPolarHBondContact O-CD2 3.35Å; A175-N239 WeakPolarHBondContact CB-OD1 3.12Å; A175-I242 HydrophobicContact CB-CD1 4.15Å; A175-I242 HydrophobicContact CB-CG1 3.96Å; A175-V270 HydrophobicContact CB-CG1 4.18Å; A175-E271 PolarHBondContact N-O 3.05Å
176	G	98.3	Very high	96.1	Very high	31 Å²	31	33 Å²	33	32%	0.32	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	8.8	-177.1	0	0	0	0	0	115	M174 P237 K337	M174-G176 PolarHBondContact O-N 3.37Å; G176-P237 PolarHBondContact N-O 3.41Å; G176-K337 WeakPolarHBondContact O-CD 3.47Å; G176-K337 VanDerWaalsContact O-CE 3.24Å; G176-K337 WeakPolarHBondContact O-CE 3.23Å; G176-K337 PolarHBondContact O-NZ 2.84Å; G176-K337 VanDerWaalsContact O-NZ 3.08Å
177	F	98.7	Very high	96.2	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.009	16%	0.16	C	C	.	.	S	Bend	trans	-118.3	138.9	176.2	-70.2	-102.4	0	0	0	110.6	M174 A175 V179 P237 P274 F279 N333 L334 K337	M174-F177 HydrophobicContact CB-CB 4.08Å; M174-F177 HydrophobicContact CB-CD2 3.62Å; M174-F177 HydrophobicContact CB-CE2 4.42Å; M174-F177 HydrophobicContact CB-CG 4.02Å; M174-F177 HydrophobicContact CE-CD1 4.06Å; M174-F177 HydrophobicContact CE-CD2 4.18Å; M174-F177 HydrophobicContact CE-CE1 4.24Å; M174-F177 HydrophobicContact CE-CE2 4.38Å; M174-F177 HydrophobicContact CE-CG 4.05Å; M174-F177 HydrophobicContact CE-CZ 4.4Å; M174-F177 PolarHBondContact O-N 3.3Å; A175-F177 VanDerWaalsContact C-N 3.33Å; A175-F177 WeakPolarHBondContact O-CD2 3.35Å; F177-V179 PolarHBondContact O-N 3.16Å; F177-P237 WeakPolarHBondContact O-CD 3.41Å; F177-P274 HydrophobicContact CE2-CG 4.07Å; F177-P274 HydrophobicContact CZ-CG 3.66Å; F177-F279 HydrophobicContact CE1-CZ 4.33Å; F177-N333 HydrophobicContact CD1-CB 4.29Å; F177-N333 WeakPolarHBondContact CD1-O 3.37Å; F177-L334 HydrophobicContact CD1-CD1 4.33Å; F177-L334 HydrophobicContact CE1-CB 4.44Å; F177-L334 HydrophobicContact CE1-CD1 3.56Å; F177-L334 HydrophobicContact CE1-CG 3.83Å; F177-L334 HydrophobicContact CZ-CD1 3.96Å; F177-L334 HydrophobicContact CZ-CG 4.33Å; F177-K337 HydrophobicContact CD1-CB 3.7Å; F177-K337 HydrophobicContact CD1-CD 3.48Å; F177-K337 VanDerWaalsContact CD1-CD 3.48Å; F177-K337 HydrophobicContact CD1-CG 4.21Å; F177-K337 HydrophobicContact CD2-CD 4.36Å; F177-K337 HydrophobicContact CE1-CB 4.02Å; F177-K337 HydrophobicContact CE1-CD 3.44Å; F177-K337 VanDerWaalsContact CE1-CD 3.44Å; F177-K337 HydrophobicContact CE1-CG 4.37Å; F177-K337 HydrophobicContact CE2-CD 4.31Å; F177-K337 HydrophobicContact CG-CD 3.96Å; F177-K337 HydrophobicContact CZ-CD 3.87Å
178	P	98.6	Very high	96.2	Very high	9 Å²	9	33.4 Å²	33.4	6%	0.058	17%	0.171	C	C	.	.			trans	-73.1	124.9	-175.2	29.7	-33.5	0	0	0	111.4	C180 V234 K337	P178-C180 PolarHBondContact O-N 3.15Å; P178-V234 HydrophobicContact CB-CG1 3.65Å; P178-K337 HydrophobicContact CG-CB 4.4Å
179	V	98.7	Very high	96.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-82.8	105.4	170	-174.7	0	0	0	0	108.4	L169 P170 I173 F177 P181 W197 Y235 P237 L246	L169-V179 HydrophobicContact CD2-CG1 3.93Å; P170-V179 HydrophobicContact CG-CG1 3.93Å; I173-V179 HydrophobicContact CB-CG2 4.42Å; I173-V179 HydrophobicContact CD1-CG1 4.28Å; I173-V179 HydrophobicContact CD1-CG2 4.36Å; I173-V179 HydrophobicContact CG1-CG2 4.15Å; I173-V179 HydrophobicContact CG2-CG2 3.57Å; F177-V179 PolarHBondContact O-N 3.16Å; V179-P181 VanDerWaalsContact O-CD 3.3Å; V179-P181 WeakPolarHBondContact O-CD 3.43Å; V179-W197 HydrophobicContact CB-CH2 4.14Å; V179-W197 HydrophobicContact CG1-CH2 3.61Å; V179-W197 HydrophobicContact CG1-CZ3 4.19Å; V179-Y235 VanDerWaalsContact CB-O 3.31Å; V179-Y235 WeakPolarHBondContact CB-O 3.46Å; V179-Y235 PolarHBondContact N-O 2.8Å; V179-Y235 PolarHBondContact O-N 3.34Å; V179-P237 HydrophobicContact CG2-CG 3.88Å; V179-L246 HydrophobicContact CG2-CD1 4.17Å
180	C	98.1	Very high	95.9	Very high	4 Å²	4	32 Å²	32	3%	0.027	17%	0.168	C	C	.	.			trans	-103.2	99.2	-176.3	-59.3	0	0	0	0	110.6	P178 A364	P178-C180 PolarHBondContact O-N 3.15Å; C180-A364 HydrophobicContact CB-CB 3.92Å
181	P	97.3	Very high	95.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.198	C	C	.	.			trans	-68.7	138.1	179.7	28.2	-34.9	0	0	0	111.6	Q168 L169 V179 L183 W197 R233 L248	Q168-P181 WeakPolarHBondContact O-CA 3.32Å; L169-P181 HydrophobicContact CD2-CB 4.22Å; V179-P181 VanDerWaalsContact O-CD 3.3Å; V179-P181 WeakPolarHBondContact O-CD 3.43Å; P181-L183 HydrophobicContact CB-CD2 3.95Å; P181-L183 HydrophobicContact CB-CG 4.34Å; P181-L183 HydrophobicContact CG-CD2 4.26Å; P181-L183 HydrophobicContact CG-CG 4.34Å; P181-L183 PolarHBondContact O-N 2.91Å; P181-W197 HydrophobicContact CG-CZ2 4.39Å; P181-R233 VanDerWaalsContact CD-O 3.29Å; P181-R233 WeakPolarHBondContact CD-O 3.49Å; P181-R233 HydrophobicContact CG-CG 3.91Å; P181-R233 WeakPolarHBondContact CG-O 3.42Å; P181-R233 PolarHBondContact O-NH2 2.8Å; P181-R233 VanDerWaalsContact O-NH2 3.08Å; P181-L248 HydrophobicContact CB-CD2 3.86Å; P181-L248 HydrophobicContact CG-CD2 3.89Å
182	K	96.3	Very high	95.7	Very high	28 Å²	28	27.3 Å²	27.3	12%	0.122	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	116	167.7	-175.1	-178.7	-169.1	-168.9	0	108.3	E166 L167 Q168 S358 D359 P363	E166-K182 WeakPolarHBondContact OE2-CE 3.36Å; E166-K182 IonicContact OE2-NZ 3.59Å; E166-K182 PolarHBondContact OE2-NZ 3.14Å; L167-K182 WeakPolarHBondContact CA-O 3.48Å; Q168-K182 HydrophobicContact CB-CB 4.15Å; Q168-K182 PolarHBondContact N-O 3.14Å; Q168-K182 PolarHBondContact O-N 3.35Å; K182-S358 WeakPolarHBondContact CE-O 3.4Å; K182-D359 WeakPolarHBondContact CE-OD1 3.24Å; K182-D359 IonicContact NZ-OD1 3.55Å; K182-D359 PolarHBondContact NZ-OD1 3.27Å; K182-P363 HydrophobicContact CB-CB 4.33Å; K182-P363 HydrophobicContact CB-CG 3.79Å; K182-P363 HydrophobicContact CG-CG 3.86Å
183	L	93	Very high	95.7	Very high	13 Å²	13	25.6 Å²	25.6	7%	0.068	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	117	179	-49.4	179.7	0	0	0	107.6	F164 E166 L167 P181 F195 R233	F164-L183 HydrophobicContact CD1-CB 4.41Å; F164-L183 HydrophobicContact CE1-CB 4.28Å; F164-L183 HydrophobicContact CE1-CD1 4.29Å; F164-L183 HydrophobicContact CE1-CD2 4.41Å; E166-L183 WeakPolarHBondContact O-CA 3.47Å; L167-L183 HydrophobicContact CD1-CD2 3.2Å; L167-L183 HydrophobicContact CG-CD2 4.39Å; P181-L183 HydrophobicContact CB-CD2 3.95Å; P181-L183 HydrophobicContact CB-CG 4.34Å; P181-L183 HydrophobicContact CG-CD2 4.26Å; P181-L183 HydrophobicContact CG-CG 4.34Å; P181-L183 PolarHBondContact O-N 2.91Å; L183-F195 HydrophobicContact CD1-CE1 3.41Å; L183-F195 VanDerWaalsContact CD1-CE1 3.41Å; L183-F195 HydrophobicContact CD1-CZ 3.65Å; L183-R233 HydrophobicContact CD1-CG 3.93Å
184	S	92.9	Very high	95.7	Very high	38 Å²	38	29.9 Å²	29.9	27%	0.266	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.8	163.7	-61.3	0	0	0	0	107.3	F164 T165 E166	F164-S184 CarbonylContact C-O 3.6Å; F164-S184 WeakPolarHBondContact CA-O 3.19Å; T165-S184 PolarHBondContact N-O 3.33Å; T165-S184 WeakPolarHBondContact OG1-CB 3.48Å; T165-S184 PolarHBondContact OG1-O 3.36Å; T165-S184 VanDerWaalsContact OG1-O 3.14Å; E166-S184 PolarHBondContact N-O 3.44Å; E166-S184 PolarHBondContact O-N 3.43Å
185	L	92.3	Very high	95.6	Very high	38 Å²	38	30.6 Å²	30.6	20%	0.199	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	130.5	-172.1	-172.3	68.2	0	0	0	109.7	A163 F164 D189 P252	A163-L185 WeakPolarHBondContact O-CD1 3.31Å; F164-L185 HydrophobicContact CD1-CB 4.34Å; F164-L185 HydrophobicContact CD1-CD1 3.53Å; F164-L185 HydrophobicContact CD1-CG 4.47Å; F164-L185 HydrophobicContact CE1-CD1 3.66Å; F164-L185 HydrophobicContact CE1-CG 4.46Å; F164-L185 HydrophobicContact CG-CD1 4.1Å; F164-L185 HydrophobicContact CZ-CD1 4.33Å; L185-D189 VanDerWaalsContact CD2-N 3.25Å; L185-P252 HydrophobicContact CD1-CB 3.31Å
186	E	93	Very high	95.6	Very high	40 Å²	40	33.3 Å²	33.3	19%	0.187	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	144.6	170.8	64.4	177.9	-164.5	0	0	110.8	R41 P162 A163 T165 G188	R41-E186 WeakPolarHBondContact CD-OE1 3.13Å; R41-E186 IonicContact CZ-OE2 2.64Å; R41-E186 IonicContact NE-OE1 2.79Å; R41-E186 PolarHBondContact NE-OE1 3.31Å; R41-E186 IonicContact NE-OE2 2.98Å; R41-E186 PolarHBondContact NE-OE2 3.14Å; R41-E186 IonicContact NH2-OE2 3.17Å; R41-E186 PolarHBondContact NH2-OE2 3.25Å; P162-E186 WeakPolarHBondContact CA-O 3.29Å; A163-E186 HydrophobicContact CB-CG 3.94Å; A163-E186 PolarHBondContact N-O 3.48Å; A163-E186 WeakPolarHBondContact O-CG 3.32Å; A163-E186 PolarHBondContact O-N 3.2Å; T165-E186 HydrophobicContact CG2-CB 4.08Å; T165-E186 HydrophobicContact CG2-CG 3.7Å; E186-G188 PolarHBondContact O-N 3.26Å
187	F	93.9	Very high	95.6	Very high	69 Å²	69	31.9 Å²	31.9	30%	0.303	19%	0.187	S	C	.	.	S	Bend	trans	51.9	28.6	177.8	-40.6	-69.6	0	0	0	114.7	R41 V43 N160 D254	R41-F187 HydrophobicContact CG-CE2 3.99Å; R41-F187 HydrophobicContact CG-CZ 4.2Å; V43-F187 HydrophobicContact CG2-CE1 4.19Å; V43-F187 HydrophobicContact CG2-CZ 3.64Å; N160-F187 HydrophobicContact CB-CB 4.29Å; N160-F187 HydrophobicContact CB-CD1 3.59Å; N160-F187 HydrophobicContact CB-CD2 3.72Å; N160-F187 HydrophobicContact CB-CE1 3.68Å; N160-F187 HydrophobicContact CB-CE2 3.83Å; N160-F187 HydrophobicContact CB-CG 3.59Å; N160-F187 HydrophobicContact CB-CZ 3.78Å; N160-F187 VanDerWaalsContact CG-CE1 3.42Å; N160-F187 WeakPolarHBondContact ND2-CE1 3.46Å; N160-F187 VanDerWaalsContact O-CB 3.26Å; N160-F187 WeakPolarHBondContact O-CB 3.28Å; N160-F187 WeakPolarHBondContact OD1-CZ 3.42Å; F187-D254 WeakPolarHBondContact O-CB 3.31Å
188	G	93.3	Very high	95.6	Very high	26 Å²	26	34 Å²	34	27%	0.268	20%	0.196	S	C	.	.	S	Bend	trans	-157.7	-179.4	176.8	0	0	0	0	0	110.1	E186 G253	E186-G188 PolarHBondContact O-N 3.26Å; G188-G253 CarbonylContact C-O 3.52Å; G188-G253 VanDerWaalsContact CA-O 3.24Å; G188-G253 WeakPolarHBondContact CA-O 3.36Å
189	D	92.4	Very high	95.5	Very high	55 Å²	55	36.2 Å²	36.2	29%	0.294	20%	0.204	S	C	.	.			trans	-133.9	147.3	176.5	73.8	90.3	0	0	0	111.1	L185 A191 S192 S193 G253	L185-D189 VanDerWaalsContact CD2-N 3.25Å; D189-A191 PolarHBondContact O-N 2.79Å; D189-A191 WeakPolarHBondContact OD1-CA 3.13Å; D189-A191 VanDerWaalsContact OD1-CB 3.27Å; D189-A191 WeakPolarHBondContact OD1-CB 3.48Å; D189-A191 PolarHBondContact OD1-N 3.44Å; D189-S192 VanDerWaalsContact CG-OG 3.28Å; D189-S192 PolarHBondContact O-N 3.49Å; D189-S192 PolarHBondContact OD1-N 3.46Å; D189-S192 PolarHBondContact OD1-OG 2.89Å; D189-S192 WeakPolarHBondContact OD2-CB 3.01Å; D189-S192 PolarHBondContact OD2-OG 3.1Å; D189-S193 PolarHBondContact O-N 2.86Å; D189-S193 PolarHBondContact O-OG 3.21Å; D189-G253 PolarHBondContact N-O 2.79Å
190	P	92.4	Very high	95.4	Very high	33 Å²	33	36.4 Å²	36.4	21%	0.214	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-61	-26.9	179	-26.6	35.4	0	0	0	114.1	S192 S193 F195	P190-S192 VanDerWaalsContact C-N 3.34Å; P190-S193 PolarHBondContact O-N 2.74Å; P190-F195 WeakPolarHBondContact O-CE2 3.33Å
191	A	92.6	Very high	95.1	Very high	98 Å²	98	38.8 Å²	38.8	81%	0.81	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-74.6	-26.3	-178.5	0	0	0	0	0	112.6	D189	D189-A191 PolarHBondContact O-N 2.79Å; D189-A191 WeakPolarHBondContact OD1-CA 3.13Å; D189-A191 VanDerWaalsContact OD1-CB 3.27Å; D189-A191 WeakPolarHBondContact OD1-CB 3.48Å; D189-A191 PolarHBondContact OD1-N 3.44Å
192	S	95.5	Very high	94.8	Very high	36 Å²	36	45.5 Å²	45.5	25%	0.252	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-92.2	-1.5	172.8	-56.8	0	0	0	0	113.6	D189 P190 G255 F258	D189-S192 VanDerWaalsContact CG-OG 3.28Å; D189-S192 PolarHBondContact O-N 3.49Å; D189-S192 PolarHBondContact OD1-N 3.46Å; D189-S192 PolarHBondContact OD1-OG 2.89Å; D189-S192 WeakPolarHBondContact OD2-CB 3.01Å; D189-S192 PolarHBondContact OD2-OG 3.1Å; P190-S192 VanDerWaalsContact C-N 3.34Å; S192-G255 PolarHBondContact OG-N 2.96Å; S192-F258 WeakPolarHBondContact O-CE1 3.4Å
193	S	96.9	Very high	94.6	Very high	10 Å²	10	48.5 Å²	48.5	7%	0.07	28%	0.277	C	S	.	.	S	Bend	trans	-88	156.4	178	-61.7	0	0	0	0	111.3	D189 P190 T251 G253	D189-S193 PolarHBondContact O-N 2.86Å; D189-S193 PolarHBondContact O-OG 3.21Å; P190-S193 PolarHBondContact O-N 2.74Å; S193-T251 CarbonylContact C-O 3.57Å; S193-T251 WeakPolarHBondContact CA-O 3.42Å; S193-T251 WeakPolarHBondContact CB-O 3.36Å; S193-G253 PolarHBondContact OG-N 2.86Å; S193-G253 VanDerWaalsContact OG-N 3.07Å
194	L	97.8	Very high	94.3	Very high	90 Å²	90	50.1 Å²	50.1	47%	0.471	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	140	178.3	-56.5	177.6	0	0	0	110.4	C250 T251 F258	L194-C250 CarbonylContact O-C 3.56Å; L194-C250 WeakPolarHBondContact O-CA 3.43Å; L194-T251 PolarHBondContact N-O 2.93Å; L194-T251 PolarHBondContact O-N 2.96Å; L194-F258 HydrophobicContact CD1-CD1 4.43Å; L194-F258 HydrophobicContact CD1-CE1 3.87Å; L194-F258 HydrophobicContact CD1-CE2 4.26Å; L194-F258 HydrophobicContact CD1-CZ 3.78Å; L194-F258 HydrophobicContact CD2-CE1 4.24Å; L194-F258 HydrophobicContact CD2-CZ 4.15Å; L194-F258 HydrophobicContact CG-CD1 4.4Å; L194-F258 HydrophobicContact CG-CE1 3.63Å; L194-F258 HydrophobicContact CG-CZ 3.87Å
195	F	98	Very high	93.7	Very high	16 Å²	16	49.5 Å²	49.5	7%	0.07	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	143.7	176.7	-55.5	-79.5	0	0	0	110.2	F164 L183 P190 E231 E232 R233 L248 H249 C250	F164-F195 HydrophobicContact CZ-CE1 4.31Å; L183-F195 HydrophobicContact CD1-CE1 3.41Å; L183-F195 VanDerWaalsContact CD1-CE1 3.41Å; L183-F195 HydrophobicContact CD1-CZ 3.65Å; P190-F195 WeakPolarHBondContact O-CE2 3.33Å; F195-E231 CarbonylContact O-C 3.53Å; F195-E231 WeakPolarHBondContact O-CA 3.38Å; F195-E232 WeakPolarHBondContact CB-O 3.15Å; F195-R233 HydrophobicContact CD2-CB 4.07Å; F195-R233 HydrophobicContact CE1-CB 4.48Å; F195-R233 HydrophobicContact CE1-CG 4.44Å; F195-R233 HydrophobicContact CE2-CB 3.97Å; F195-R233 HydrophobicContact CG-CB 4.37Å; F195-R233 HydrophobicContact CZ-CB 4.19Å; F195-R233 HydrophobicContact CZ-CG 4.34Å; F195-L248 HydrophobicContact CB-CD1 4.16Å; F195-L248 HydrophobicContact CD1-CD1 4.13Å; F195-H249 CarbonylContact C-O 3.57Å; F195-C250 HydrophobicContact CD1-CB 3.71Å; F195-C250 HydrophobicContact CE1-CB 3.94Å
196	R	98.2	Very high	93	Very high	62 Å²	62	47.8 Å²	47.8	23%	0.234	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	125.2	172.3	-172.1	67.8	63.8	172.4	-6	109.9	Y198 E227 E231 H249	R196-Y198 HydrophobicContact CB-CE2 4.04Å; R196-Y198 HydrophobicContact CG-CD2 4.38Å; R196-Y198 HydrophobicContact CG-CE2 3.61Å; R196-E227 WeakPolarHBondContact CD-OE1 3.26Å; R196-E227 HydrophobicContact CG-CG 4.05Å; R196-E227 IonicContact CZ-OE1 3.37Å; R196-E227 IonicContact NE-OE1 3.41Å; R196-E227 PolarHBondContact NE-OE1 2.86Å; R196-E227 IonicContact NH1-OE1 2.72Å; R196-E231 IonicContact CZ-OE1 3.37Å; R196-E231 IonicContact NH1-OE1 2.7Å; R196-E231 PolarHBondContact NH1-OE1 2.84Å; R196-E231 IonicContact NH2-OE1 3.46Å; R196-E231 PolarHBondContact NH2-OE1 3.26Å; R196-H249 HydrophobicContact CB-CB 4.38Å; R196-H249 PolarHBondContact N-O 3.37Å; R196-H249 PolarHBondContact O-N 2.69Å
197	W	98.4	Very high	91.8	Very high	1 Å²	1	53.1 Å²	53.1	0%	0.004	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	142	177	-72.8	88.8	0	0	0	112	L169 V179 P181 T228 V230 E232 Y235 L246 L248	L169-W197 HydrophobicContact CD2-CH2 3.47Å; L169-W197 VanDerWaalsContact CD2-CH2 3.47Å; L169-W197 HydrophobicContact CD2-CZ3 3.94Å; V179-W197 HydrophobicContact CB-CH2 4.14Å; V179-W197 HydrophobicContact CG1-CH2 3.61Å; V179-W197 HydrophobicContact CG1-CZ3 4.19Å; P181-W197 HydrophobicContact CG-CZ2 4.39Å; W197-T228 WeakPolarHBondContact CB-OG1 3.33Å; W197-T228 WeakPolarHBondContact O-CB 3.33Å; W197-T228 WeakPolarHBondContact O-CG2 3.28Å; W197-T228 PolarHBondContact O-N 3.3Å; W197-T228 PolarHBondContact O-OG1 3.31Å; W197-V230 HydrophobicContact CB-CB 4.37Å; W197-V230 PolarHBondContact N-O 2.85Å; W197-E232 PolarHBondContact NE1-O 3.33Å; W197-Y235 HydrophobicContact CB-CD2 3.92Å; W197-Y235 HydrophobicContact CB-CE2 4.46Å; W197-Y235 HydrophobicContact CB-CG 4.39Å; W197-Y235 HydrophobicContact CD2-CD2 4.31Å; W197-Y235 AromaticContact CD2-CG 3.92Å; W197-Y235 HydrophobicContact CD2-CG 3.92Å; W197-Y235 HydrophobicContact CE3-CD1 4.39Å; W197-Y235 HydrophobicContact CE3-CG 4.1Å; W197-Y235 AromaticContact CG-CD2 3.95Å; W197-Y235 HydrophobicContact CG-CD2 3.95Å; W197-Y235 HydrophobicContact CG-CG 4.05Å; W197-L246 HydrophobicContact CE3-CB 4.34Å; W197-L246 HydrophobicContact CZ3-CB 4.14Å; W197-L246 HydrophobicContact CZ3-CD1 4.21Å; W197-L248 HydrophobicContact CD2-CB 4.25Å; W197-L248 HydrophobicContact CD2-CD1 4.17Å; W197-L248 HydrophobicContact CE3-CB 4.11Å; W197-L248 HydrophobicContact CG-CD1 4.43Å; W197-L248 HydrophobicContact CH2-CB 4.13Å; W197-L248 HydrophobicContact CZ2-CB 4.24Å; W197-L248 HydrophobicContact CZ2-CD1 4.19Å; W197-L248 HydrophobicContact CZ2-CD2 4.2Å; W197-L248 HydrophobicContact CZ2-CG 4.45Å; W197-L248 HydrophobicContact CZ3-CB 4.06Å
198	Y	98	Very high	90.5	Very high	47 Å²	47	53.5 Å²	53.5	18%	0.184	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	153.6	173.5	-58.5	-103.1	0	0	0	108.7	R196 W225 T226 E227 L246 K247 H249	R196-Y198 HydrophobicContact CB-CE2 4.04Å; R196-Y198 HydrophobicContact CG-CD2 4.38Å; R196-Y198 HydrophobicContact CG-CE2 3.61Å; Y198-W225 HydrophobicContact CD1-CB 4.26Å; Y198-T226 VanDerWaalsContact CA-O 3.29Å; Y198-T226 WeakPolarHBondContact CA-O 3.42Å; Y198-E227 VanDerWaalsContact CD1-CA 3.47Å; Y198-E227 HydrophobicContact CD1-CB 3.84Å; Y198-E227 HydrophobicContact CD1-CG 4.25Å; Y198-E227 HydrophobicContact CE1-CB 3.66Å; Y198-E227 HydrophobicContact CE1-CG 3.82Å; Y198-L246 WeakPolarHBondContact O-CA 3.47Å; Y198-K247 PolarHBondContact N-O 3.37Å; Y198-K247 PolarHBondContact O-N 2.96Å; Y198-H249 HydrophobicContact CE2-CB 3.81Å
199	K	97.2	Very high	89	Confident	56 Å²	56	57.5 Å²	57.5	24%	0.243	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	154.6	170.5	62	-174.1	-175.9	-178.8	0	109.9	A201 T226 T228 D241 L244 L246	K199-A201 PolarHBondContact O-N 3.45Å; K199-T226 PolarHBondContact N-O 3.47Å; K199-T226 PolarHBondContact O-N 3.39Å; K199-T228 HydrophobicContact CB-CG2 4.42Å; K199-T228 HydrophobicContact CD-CG2 4.22Å; K199-T228 HydrophobicContact CG-CG2 4.08Å; K199-D241 WeakPolarHBondContact CD-OD1 3.47Å; K199-D241 WeakPolarHBondContact CE-OD1 3.47Å; K199-D241 IonicContact NZ-OD1 2.7Å; K199-D241 PolarHBondContact NZ-OD1 3.08Å; K199-L244 HydrophobicContact CB-CD1 4.37Å; K199-L244 HydrophobicContact CD-CD1 4.15Å; K199-L244 HydrophobicContact CG-CD1 4.42Å; K199-L246 HydrophobicContact CB-CD2 3.98Å
200	E	95.9	Very high	87.3	Confident	5 Å²	5	62.1 Å²	62.1	2%	0.023	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	137.6	176.9	-152	176.6	-173.9	0	0	110.7	K202 G204 A205 A206 L244 R245	E200-K202 VanDerWaalsContact CG-O 3.28Å; E200-K202 WeakPolarHBondContact CG-O 3.28Å; E200-K202 PolarHBondContact O-N 3.45Å; E200-G204 VanDerWaalsContact OE1-CA 3.23Å; E200-G204 WeakPolarHBondContact OE1-CA 3.21Å; E200-G204 PolarHBondContact OE1-N 3.06Å; E200-G204 VanDerWaalsContact OE1-N 3.11Å; E200-G204 PolarHBondContact OE2-N 2.71Å; E200-A205 HydrophobicContact CG-CB 4.13Å; E200-A205 PolarHBondContact OE1-N 2.65Å; E200-A206 HydrophobicContact CG-CB 3.82Å; E200-A206 WeakPolarHBondContact OE1-CB 3.3Å; E200-A206 PolarHBondContact OE1-N 3.27Å; E200-L244 HydrophobicContact CB-CB 4Å; E200-L244 HydrophobicContact CB-CD2 4.22Å; E200-R245 PolarHBondContact N-O 3.06Å; E200-R245 PolarHBondContact OE2-N 3.39Å
201	A	92.6	Very high	85.6	Confident	53 Å²	53	64.1 Å²	64.1	44%	0.438	39%	0.387	S	S	.	.	S	Bend	trans	-64.6	-30.8	-175.7	0	0	0	0	0	113	K199 S224 T226	K199-A201 PolarHBondContact O-N 3.45Å; A201-S224 PolarHBondContact N-O 3.27Å; A201-T226 WeakPolarHBondContact CA-OG1 3.5Å
202	K	90.4	Very high	83.9	Confident	141 Å²	141	63.5 Å²	63.5	61%	0.613	37%	0.373	S	S	*	.	S	Bend	trans	-156.3	159	170.2	59.3	177.6	-178.8	177.1	0	108	E200 G204 A205	E200-K202 VanDerWaalsContact CG-O 3.28Å; E200-K202 WeakPolarHBondContact CG-O 3.28Å; E200-K202 PolarHBondContact O-N 3.45Å; K202-G204 PolarHBondContact O-N 2.79Å; K202-A205 HydrophobicContact CG-CB 3.68Å; K202-A205 WeakPolarHBondContact O-CB 3.32Å; K202-A205 PolarHBondContact O-N 2.99Å; K202-A205 VanDerWaalsContact O-N 3.09Å
203	P	91.3	Very high	81.8	Confident	92 Å²	92	67.8 Å²	67.8	60%	0.597	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	125.9	178.9	-25.2	34.3	0	0	0	111.5	A205 L244	P203-A205 PolarHBondContact O-N 3.42Å; P203-L244 HydrophobicContact CB-CD2 4.39Å; P203-L244 HydrophobicContact CG-CD2 3.73Å
204	G	86.6	Confident	79.8	Confident	47 Å²	47	70.1 Å²	70.1	49%	0.485	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	15	179	0	0	0	0	0	115.7	E200 K202	E200-G204 VanDerWaalsContact OE1-CA 3.23Å; E200-G204 WeakPolarHBondContact OE1-CA 3.21Å; E200-G204 PolarHBondContact OE1-N 3.06Å; E200-G204 VanDerWaalsContact OE1-N 3.11Å; E200-G204 PolarHBondContact OE2-N 2.71Å; K202-G204 PolarHBondContact O-N 2.79Å
205	A	81.4	Confident	77.7	Confident	25 Å²	25	71.5 Å²	71.5	21%	0.207	43%	0.434	C	S	.	.	S	Bend	trans	-73.4	-25.3	173.9	0	0	0	0	0	114.3	E200 K202 P203 S224	E200-A205 HydrophobicContact CG-CB 4.13Å; E200-A205 PolarHBondContact OE1-N 2.65Å; K202-A205 HydrophobicContact CG-CB 3.68Å; K202-A205 WeakPolarHBondContact O-CB 3.32Å; K202-A205 PolarHBondContact O-N 2.99Å; K202-A205 VanDerWaalsContact O-N 3.09Å; P203-A205 PolarHBondContact O-N 3.42Å; A205-S224 VanDerWaalsContact O-CB 3.25Å; A205-S224 WeakPolarHBondContact O-CB 3.37Å; A205-S224 PolarHBondContact O-OG 2.81Å
206	A	77.3	Confident	75.7	Confident	1 Å²	1	74 Å²	74	1%	0.008	45%	0.447	C	S	.	.	S	Bend	trans	-103.2	56.6	-178.7	0	0	0	0	0	109.2	E200 W225 R245	E200-A206 HydrophobicContact CG-CB 3.82Å; E200-A206 WeakPolarHBondContact OE1-CB 3.3Å; E200-A206 PolarHBondContact OE1-N 3.27Å; A206-W225 HydrophobicContact CB-CZ2 3.84Å; A206-R245 VanDerWaalsContact CB-NH2 3.27Å; A206-R245 PolarHBondContact O-NH2 2.79Å
207	E	68.2	Low	73.8	Confident	152 Å²	152	72.2 Å²	72.2	71%	0.71	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-61.1	133.9	171.5	-72	-167.9	166.4	0	0	109.7	E209	E207-E209 PolarHBondContact O-N 3.46Å
208	P	66.1	Low	71.9	Confident	77 Å²	77	74.1 Å²	74.1	50%	0.5	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-65.6	133.1	-178.3	26.3	-33.5	0	0	0	110.5	V210 S218	P208-V210 PolarHBondContact O-N 2.83Å; P208-V210 VanDerWaalsContact O-N 3.08Å; P208-S218 VanDerWaalsContact CB-CB 3.5Å
209	E	61.7	Low	70.5	Confident	110 Å²	110	74.9 Å²	74.9	51%	0.514	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-59.4	116.7	172.6	-84.8	-169.5	154.1	0	0	110.4	E207 G211 V212	E207-E209 PolarHBondContact O-N 3.46Å; E209-G211 PolarHBondContact O-N 2.97Å; E209-G211 VanDerWaalsContact O-N 3.14Å; E209-V212 HydrophobicContact CB-CG2 4.3Å
210	V	57.7	Low	69.4	Low	153 Å²	153	72.8 Å²	72.8	93%	0.927	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	112.2	179.4	-177.1	0	0	0	0	109.3	P208	P208-V210 PolarHBondContact O-N 2.83Å; P208-V210 VanDerWaalsContact O-N 3.08Å
211	G	56.4	Low	68.6	Low	74 Å²	74	75.5 Å²	75.5	76%	0.763	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.4	5.8	168	0	0	0	0	0	117	E209 P213	E209-G211 PolarHBondContact O-N 2.97Å; E209-G211 VanDerWaalsContact O-N 3.14Å; G211-P213 WeakPolarHBondContact O-CD 3.37Å
212	V	55.6	Low	67.8	Low	85 Å²	85	77.7 Å²	77.7	52%	0.515	49%	0.493	S	S	.	.			trans	-97.2	111.9	171.9	-175.1	0	0	0	0	109.9	E209 S214	E209-V212 HydrophobicContact CB-CG2 4.3Å; V212-S214 PolarHBondContact O-N 2.88Å
213	P	51.4	Low	67.5	Low	127 Å²	127	76 Å²	76	83%	0.825	50%	0.499	S	S	*	.			trans	-73	113.8	178	24.7	-26.3	0	0	0	110.3	G211	G211-P213 WeakPolarHBondContact O-CD 3.37Å
214	S	56.3	Low	67.5	Low	59 Å²	59	72.4 Å²	72.4	41%	0.413	48%	0.475	S	S	.	.			trans	-106	139.9	162.4	164.2	0	0	0	0	108.4	V212 L216 S217	V212-S214 PolarHBondContact O-N 2.88Å; S214-L216 PolarHBondContact O-N 3.1Å; S214-S217 WeakPolarHBondContact CB-O 3.42Å; S214-S217 PolarHBondContact OG-O 3.27Å
215	S	53.3	Low	67.8	Low	119 Å²	119	71 Å²	71	83%	0.832	46%	0.455	S	S	*	.	S	Bend	trans	-78.4	-2	-174.4	53.9	0	0	0	0	114.4
216	L	56.7	Low	68.5	Low	69 Å²	69	72.9 Å²	72.9	36%	0.361	47%	0.465	S	S	.	.	S	Bend	trans	-133.4	-38.8	-171.6	-65.5	160.2	0	0	0	115.3	S214 R262	S214-L216 PolarHBondContact O-N 3.1Å; L216-R262 VanDerWaalsContact CG-NH2 3.3Å
217	S	57.1	Low	69.5	Low	23 Å²	23	77.8 Å²	77.8	16%	0.161	49%	0.487	C	S	.	.	S	Bend	trans	-165.6	165.5	177.1	64.5	0	0	0	0	110.2	S214 S219 E265	S214-S217 WeakPolarHBondContact CB-O 3.42Å; S214-S217 PolarHBondContact OG-O 3.27Å; S217-S219 PolarHBondContact O-N 2.88Å; S217-E265 PolarHBondContact OG-N 3.34Å
218	S	59.1	Low	70.9	Confident	41 Å²	41	71.4 Å²	71.4	29%	0.287	46%	0.459	S	S	.	.			trans	-48.1	140.1	167.7	51	0	0	0	0	111	P208 R245 E265	P208-S218 VanDerWaalsContact CB-CB 3.5Å; S218-R245 PolarHBondContact OG-NH1 3.3Å; S218-E265 VanDerWaalsContact O-OE2 3.06Å; S218-E265 PolarHBondContact OG-OE2 2.93Å
219	S	67.7	Low	72.3	Confident	63 Å²	63	77 Å²	77	44%	0.441	48%	0.478	S	S	.	.			trans	-99.7	114.9	173.2	177.4	0	0	0	0	107.8	S217	S217-S219 PolarHBondContact O-N 2.88Å
220	S	74.9	Confident	73.9	Confident	13 Å²	13	73.8 Å²	73.8	9%	0.091	47%	0.466	C	S	.	.			trans	-114.3	157.1	175.3	63.6	0	0	0	0	111.3	S222 W225 E265	S220-S222 PolarHBondContact O-N 3.15Å; S220-W225 PolarHBondContact OG-NE1 3.07Å; S220-E265 PolarHBondContact N-OE1 3.47Å; S220-E265 VanDerWaalsContact N-OE1 3.07Å; S220-E265 VanDerWaalsContact OG-CD 3.29Å; S220-E265 PolarHBondContact OG-OE1 2.81Å; S220-E265 PolarHBondContact OG-OE2 3.43Å
221	P	79	Confident	75.8	Confident	61 Å²	61	70.6 Å²	70.6	40%	0.396	44%	0.441	S	S	.	.			trans	-59	138.2	-176.4	-22.9	32.8	0	0	0	112.5	S223 S224	P221-S223 PolarHBondContact O-N 3.26Å; P221-S223 VanDerWaalsContact O-N 3.07Å; P221-S224 WeakPolarHBondContact O-CB 3.45Å; P221-S224 PolarHBondContact O-N 3.42Å
222	S	76.7	Confident	77.8	Confident	100 Å²	100	73.6 Å²	73.6	70%	0.699	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-56.7	-29.2	-179.9	-50.2	0	0	0	0	113.5	S220 S224 W225	S220-S222 PolarHBondContact O-N 3.15Å; S222-S224 PolarHBondContact O-N 3.13Å; S222-W225 PolarHBondContact O-N 3.47Å
223	S	83.4	Confident	79.8	Confident	106 Å²	106	70.5 Å²	70.5	74%	0.741	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-67.7	-15.7	176.9	56.5	0	0	0	0	114.4	P221 W225	P221-S223 PolarHBondContact O-N 3.26Å; P221-S223 VanDerWaalsContact O-N 3.07Å; S223-W225 VanDerWaalsContact C-N 3.26Å
224	S	90.4	Very high	82	Confident	15 Å²	15	65.6 Å²	65.6	11%	0.105	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-83	-3.2	179	-61.9	0	0	0	0	113.1	A201 A205 P221 S222	A201-S224 PolarHBondContact N-O 3.27Å; A205-S224 VanDerWaalsContact O-CB 3.25Å; A205-S224 WeakPolarHBondContact O-CB 3.37Å; A205-S224 PolarHBondContact O-OG 2.81Å; P221-S224 WeakPolarHBondContact O-CB 3.45Å; P221-S224 PolarHBondContact O-N 3.42Å; S222-S224 PolarHBondContact O-N 3.13Å
225	W	94.4	Very high	84	Confident	18 Å²	18	63.5 Å²	63.5	7%	0.068	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	137.7	-176.4	-64.1	93.8	0	0	0	111.5	Y198 A206 S220 S222 S223 R245 L246 K247 E265	Y198-W225 HydrophobicContact CD1-CB 4.26Å; A206-W225 HydrophobicContact CB-CZ2 3.84Å; S220-W225 PolarHBondContact OG-NE1 3.07Å; S222-W225 PolarHBondContact O-N 3.47Å; S223-W225 VanDerWaalsContact C-N 3.26Å; W225-R245 HydrophobicContact CH2-CB 3.96Å; W225-R245 HydrophobicContact CZ3-CB 4.46Å; W225-R245 WeakPolarHBondContact CZ3-O 3.32Å; W225-L246 VanDerWaalsContact CZ3-C 3.41Å; W225-K247 HydrophobicContact CD2-CB 3.92Å; W225-K247 HydrophobicContact CD2-CD 4.08Å; W225-K247 HydrophobicContact CE3-CB 3.57Å; W225-K247 HydrophobicContact CG-CD 4.36Å; W225-K247 HydrophobicContact CH2-CB 3.7Å; W225-K247 HydrophobicContact CZ2-CB 4.03Å; W225-K247 HydrophobicContact CZ2-CD 4.43Å; W225-K247 HydrophobicContact CZ3-CB 3.45Å; W225-K247 VanDerWaalsContact CZ3-CB 3.45Å; W225-E265 HydrophobicContact CH2-CB 4.26Å; W225-E265 HydrophobicContact CH2-CG 4.18Å; W225-E265 HydrophobicContact CZ2-CB 4.15Å; W225-E265 VanDerWaalsContact CZ2-CD 3.4Å; W225-E265 HydrophobicContact CZ2-CG 3.64Å
226	T	96.2	Very high	86.2	Confident	65 Å²	65	61.6 Å²	61.6	40%	0.399	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	125.5	170.1	-57.3	0	0	0	0	109	Y198 K199 A201	Y198-T226 VanDerWaalsContact CA-O 3.29Å; Y198-T226 WeakPolarHBondContact CA-O 3.42Å; K199-T226 PolarHBondContact N-O 3.47Å; K199-T226 PolarHBondContact O-N 3.39Å; A201-T226 WeakPolarHBondContact CA-OG1 3.5Å
227	E	97.1	Very high	88.1	Confident	104 Å²	104	58.4 Å²	58.4	49%	0.486	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	139.2	175.5	-169.2	174.9	-175.9	0	0	110.6	R196 Y198	R196-E227 WeakPolarHBondContact CD-OE1 3.26Å; R196-E227 HydrophobicContact CG-CG 4.05Å; R196-E227 IonicContact CZ-OE1 3.37Å; R196-E227 IonicContact NE-OE1 3.41Å; R196-E227 PolarHBondContact NE-OE1 2.86Å; R196-E227 IonicContact NH1-OE1 2.72Å; Y198-E227 VanDerWaalsContact CD1-CA 3.47Å; Y198-E227 HydrophobicContact CD1-CB 3.84Å; Y198-E227 HydrophobicContact CD1-CG 4.25Å; Y198-E227 HydrophobicContact CE1-CB 3.66Å; Y198-E227 HydrophobicContact CE1-CG 3.82Å
228	T	97.4	Very high	90.1	Very high	18 Å²	18	60 Å²	60	11%	0.11	34%	0.343	C	S	.	.			trans	-99.9	165.8	173.6	76.5	0	0	0	0	110.6	W197 K199 V230 Y235	W197-T228 WeakPolarHBondContact CB-OG1 3.33Å; W197-T228 WeakPolarHBondContact O-CB 3.33Å; W197-T228 WeakPolarHBondContact O-CG2 3.28Å; W197-T228 PolarHBondContact O-N 3.3Å; W197-T228 PolarHBondContact O-OG1 3.31Å; K199-T228 HydrophobicContact CB-CG2 4.42Å; K199-T228 HydrophobicContact CD-CG2 4.22Å; K199-T228 HydrophobicContact CG-CG2 4.08Å; T228-V230 PolarHBondContact O-N 3.08Å; T228-V230 PolarHBondContact OG1-N 2.92Å; T228-Y235 HydrophobicContact CG2-CE2 4.18Å
229	E	95.2	Very high	92	Very high	193 Å²	193	64 Å²	64	90%	0.902	36%	0.361	S	S	*	.	S	Bend	trans	-75.7	-2.5	175.4	-58.5	-175.8	175.1	0	0	113.4	E231	E229-E231 PolarHBondContact O-N 3.07Å
230	V	96.9	Very high	93.4	Very high	43 Å²	43	64.8 Å²	64.8	26%	0.261	37%	0.371	S	S	.	.			trans	-86.7	113.4	-172	-175.9	0	0	0	0	111.1	W197 T228 E232 Y235	W197-V230 HydrophobicContact CB-CB 4.37Å; W197-V230 PolarHBondContact N-O 2.85Å; T228-V230 PolarHBondContact O-N 3.08Å; T228-V230 PolarHBondContact OG1-N 2.92Å; V230-E232 HydrophobicContact CG1-CB 4.12Å; V230-Y235 HydrophobicContact CB-CD2 3.85Å; V230-Y235 HydrophobicContact CB-CE2 4.33Å; V230-Y235 HydrophobicContact CG1-CD2 4.06Å; V230-Y235 HydrophobicContact CG2-CD2 3.67Å; V230-Y235 HydrophobicContact CG2-CE2 3.79Å
231	E	97.3	Very high	94.5	Very high	86 Å²	86	64.3 Å²	64.3	40%	0.402	37%	0.368	S	S	.	.			trans	-101.1	6	177.3	-65.2	-176.1	177.1	0	0	113.1	R15 F195 R196 E229	R15-E231 IonicContact NH2-OE1 3.4Å; R15-E231 IonicContact NH2-OE2 3.69Å; F195-E231 CarbonylContact O-C 3.53Å; F195-E231 WeakPolarHBondContact O-CA 3.38Å; R196-E231 IonicContact CZ-OE1 3.37Å; R196-E231 IonicContact NH1-OE1 2.7Å; R196-E231 PolarHBondContact NH1-OE1 2.84Å; R196-E231 IonicContact NH2-OE1 3.46Å; R196-E231 PolarHBondContact NH2-OE1 3.26Å; E229-E231 PolarHBondContact O-N 3.07Å
232	E	97	Very high	95.4	Very high	138 Å²	138	64.8 Å²	64.8	65%	0.645	37%	0.366	S	S	*	.	S	Bend	trans	-91.9	158.6	-176	-60	-64.2	161.5	0	0	111.8	F195 W197 V230 V234	F195-E232 WeakPolarHBondContact CB-O 3.15Å; W197-E232 PolarHBondContact NE1-O 3.33Å; V230-E232 HydrophobicContact CG1-CB 4.12Å; E232-V234 PolarHBondContact O-N 3.37Å
233	R	97.3	Very high	96.4	Very high	20 Å²	20	61.2 Å²	61.2	8%	0.075	35%	0.345	C	S	.	.	S	Bend	trans	-57.4	-39.1	173.5	176.1	175.8	174.8	173.6	0.4	112	P181 L183 F195 E366 A367	P181-R233 VanDerWaalsContact CD-O 3.29Å; P181-R233 WeakPolarHBondContact CD-O 3.49Å; P181-R233 HydrophobicContact CG-CG 3.91Å; P181-R233 WeakPolarHBondContact CG-O 3.42Å; P181-R233 PolarHBondContact O-NH2 2.8Å; P181-R233 VanDerWaalsContact O-NH2 3.08Å; L183-R233 HydrophobicContact CD1-CG 3.93Å; F195-R233 HydrophobicContact CD2-CB 4.07Å; F195-R233 HydrophobicContact CE1-CB 4.48Å; F195-R233 HydrophobicContact CE1-CG 4.44Å; F195-R233 HydrophobicContact CE2-CB 3.97Å; F195-R233 HydrophobicContact CG-CB 4.37Å; F195-R233 HydrophobicContact CZ-CB 4.19Å; F195-R233 HydrophobicContact CZ-CG 4.34Å; R233-E366 IonicContact CZ-OE2 2.96Å; R233-E366 IonicContact NH1-OE2 3.81Å; R233-E366 PolarHBondContact NH1-OE2 2.75Å; R233-E366 IonicContact NH2-OE2 3.79Å; R233-E366 PolarHBondContact NH2-OE2 3.03Å; R233-A367 HydrophobicContact CG-CB 4.46Å
234	V	98.4	Very high	97.1	Very high	24 Å²	24	56.8 Å²	56.8	15%	0.145	31%	0.313	C	S	.	.			trans	-101.2	137	-175.9	-180	0	0	0	0	109.8	P178 E232 A367 F368	P178-V234 HydrophobicContact CB-CG1 3.65Å; E232-V234 PolarHBondContact O-N 3.37Å; V234-A367 HydrophobicContact CG2-CB 3.51Å; V234-F368 HydrophobicContact CG1-CE2 4.4Å; V234-F368 HydrophobicContact CG2-CE2 4.09Å
235	Y	98.6	Very high	97.4	Very high	14 Å²	14	57.1 Å²	57.1	6%	0.055	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-119.2	130.6	172.7	178.5	-98.2	0	0	0	109.9	V179 W197 T228 V230 P237 D241 L246	V179-Y235 VanDerWaalsContact CB-O 3.31Å; V179-Y235 WeakPolarHBondContact CB-O 3.46Å; V179-Y235 PolarHBondContact N-O 2.8Å; V179-Y235 PolarHBondContact O-N 3.34Å; W197-Y235 HydrophobicContact CB-CD2 3.92Å; W197-Y235 HydrophobicContact CB-CE2 4.46Å; W197-Y235 HydrophobicContact CB-CG 4.39Å; W197-Y235 HydrophobicContact CD2-CD2 4.31Å; W197-Y235 AromaticContact CD2-CG 3.92Å; W197-Y235 HydrophobicContact CD2-CG 3.92Å; W197-Y235 HydrophobicContact CE3-CD1 4.39Å; W197-Y235 HydrophobicContact CE3-CG 4.1Å; W197-Y235 AromaticContact CG-CD2 3.95Å; W197-Y235 HydrophobicContact CG-CD2 3.95Å; W197-Y235 HydrophobicContact CG-CG 4.05Å; T228-Y235 HydrophobicContact CG2-CE2 4.18Å; V230-Y235 HydrophobicContact CB-CD2 3.85Å; V230-Y235 HydrophobicContact CB-CE2 4.33Å; V230-Y235 HydrophobicContact CG1-CD2 4.06Å; V230-Y235 HydrophobicContact CG2-CD2 3.67Å; V230-Y235 HydrophobicContact CG2-CE2 3.79Å; Y235-P237 HydrophobicContact CD1-CB 4.41Å; Y235-P237 HydrophobicContact CD1-CG 3.87Å; Y235-P237 HydrophobicContact CE1-CB 3.83Å; Y235-P237 HydrophobicContact CE1-CG 3.79Å; Y235-D241 PolarHBondContact OH-OD2 3.03Å; Y235-D241 VanDerWaalsContact OH-OD2 3.1Å; Y235-L246 HydrophobicContact CD1-CD1 3.67Å; Y235-L246 HydrophobicContact CD1-CD2 4.48Å; Y235-L246 HydrophobicContact CE1-CD1 3.8Å; Y235-L246 HydrophobicContact CE1-CD2 3.88Å
236	T	98.6	Very high	97.5	Very high	80 Å²	80	56.2 Å²	56.2	49%	0.491	31%	0.308	S	S	.	.			trans	-108.1	107.3	173.5	-57.4	0	0	0	0	108.1
237	P	98.4	Very high	97.6	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.013	29%	0.291	C	S	.	.			trans	-63.8	148.8	-178.8	-15.6	28.7	0	0	0	110.9	I173 G176 F177 V179 Y235 D241 L246 V270	I173-P237 HydrophobicContact CG2-CG 3.74Å; G176-P237 PolarHBondContact N-O 3.41Å; F177-P237 WeakPolarHBondContact O-CD 3.41Å; V179-P237 HydrophobicContact CG2-CG 3.88Å; Y235-P237 HydrophobicContact CD1-CB 4.41Å; Y235-P237 HydrophobicContact CD1-CG 3.87Å; Y235-P237 HydrophobicContact CE1-CB 3.83Å; Y235-P237 HydrophobicContact CE1-CG 3.79Å; P237-D241 HydrophobicContact CB-CB 4.18Å; P237-L246 HydrophobicContact CG-CD1 4.13Å; P237-V270 HydrophobicContact CB-CG1 3.69Å; P237-V270 HydrophobicContact CB-CG2 3.94Å; P237-V270 HydrophobicContact CG-CG1 4.23Å; P237-V270 HydrophobicContact CG-CG2 4.13Å
238	S	98.1	Very high	97.6	Very high	55 Å²	55	48.6 Å²	48.6	39%	0.385	27%	0.268	S	S	.	.			trans	-96.1	171.6	172.1	72.6	0	0	0	0	111	A240 D241	S238-A240 PolarHBondContact O-N 2.82Å; S238-A240 VanDerWaalsContact O-N 3.17Å; S238-A240 PolarHBondContact OG-N 2.93Å; S238-D241 WeakPolarHBondContact CB-OD2 3.41Å; S238-D241 PolarHBondContact N-OD2 3.31Å; S238-D241 WeakPolarHBondContact O-CB 3.48Å; S238-D241 PolarHBondContact O-N 3.21Å; S238-D241 PolarHBondContact OG-OD2 3.1Å
239	N	98	Very high	97.6	Very high	127 Å²	127	49.7 Å²	49.7	68%	0.679	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-61.3	-23.1	172.7	-68	-9.2	0	0	0	112.9	A175 D241 I242	A175-N239 WeakPolarHBondContact CB-OD1 3.12Å; N239-D241 PolarHBondContact O-N 3.09Å; N239-I242 HydrophobicContact CB-CD1 4.22Å; N239-I242 WeakPolarHBondContact O-CG1 3.32Å; N239-I242 PolarHBondContact O-N 3.16Å
240	A	97.7	Very high	97.7	Very high	78 Å²	78	40.5 Å²	40.5	65%	0.645	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-73.5	-12.9	176.2	0	0	0	0	0	112.9	S238	S238-A240 PolarHBondContact O-N 2.82Å; S238-A240 VanDerWaalsContact O-N 3.17Å; S238-A240 PolarHBondContact OG-N 2.93Å
241	D	98.1	Very high	97.7	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.016	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-95.6	-5.2	-179.2	-51.4	-52.4	0	0	0	112.3	K199 Y235 P237 S238 N239 G243 L244 V270	K199-D241 WeakPolarHBondContact CD-OD1 3.47Å; K199-D241 WeakPolarHBondContact CE-OD1 3.47Å; K199-D241 IonicContact NZ-OD1 2.7Å; K199-D241 PolarHBondContact NZ-OD1 3.08Å; Y235-D241 PolarHBondContact OH-OD2 3.03Å; Y235-D241 VanDerWaalsContact OH-OD2 3.1Å; P237-D241 HydrophobicContact CB-CB 4.18Å; S238-D241 WeakPolarHBondContact CB-OD2 3.41Å; S238-D241 PolarHBondContact N-OD2 3.31Å; S238-D241 WeakPolarHBondContact O-CB 3.48Å; S238-D241 PolarHBondContact O-N 3.21Å; S238-D241 PolarHBondContact OG-OD2 3.1Å; N239-D241 PolarHBondContact O-N 3.09Å; D241-G243 PolarHBondContact O-N 3.39Å; D241-L244 VanDerWaalsContact O-CB 3.27Å; D241-L244 WeakPolarHBondContact O-CB 3.5Å; D241-L244 WeakPolarHBondContact O-CG 3.43Å; D241-L244 PolarHBondContact O-N 3.01Å; D241-V270 HydrophobicContact CB-CG2 4.24Å; D241-V270 WeakPolarHBondContact O-CB 3.39Å
242	I	98.4	Very high	97.7	Very high	72 Å²	72	35.3 Å²	35.3	37%	0.369	20%	0.203	S	C	.	.	B	Isolated β-bridge	trans	-56.7	131.1	178.5	-66.4	171.8	0	0	0	110.4	A175 N239 L244 V270 A272	A175-I242 HydrophobicContact CB-CD1 4.15Å; A175-I242 HydrophobicContact CB-CG1 3.96Å; N239-I242 HydrophobicContact CB-CD1 4.22Å; N239-I242 WeakPolarHBondContact O-CG1 3.32Å; N239-I242 PolarHBondContact O-N 3.16Å; I242-L244 VanDerWaalsContact C-N 3.32Å; I242-V270 WeakPolarHBondContact CA-O 3.24Å; I242-V270 HydrophobicContact CG1-CG1 4.34Å; I242-A272 HydrophobicContact CD1-CB 4.15Å
243	G	97.5	Very high	97.6	Very high	24 Å²	24	28.7 Å²	28.7	25%	0.247	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	1.2	-177.7	0	0	0	0	0	114.9	D241 V269 V270	D241-G243 PolarHBondContact O-N 3.39Å; G243-V269 WeakPolarHBondContact O-CG1 3.39Å; G243-V270 PolarHBondContact N-O 3.13Å
244	L	97.6	Very high	97.5	Very high	14 Å²	14	29.9 Å²	29.9	7%	0.073	18%	0.18	C	C	.	.			trans	-101.7	143.6	176.1	-50.6	-179.9	0	0	0	110.9	K199 E200 P203 D241 I242 V269 V270	K199-L244 HydrophobicContact CB-CD1 4.37Å; K199-L244 HydrophobicContact CD-CD1 4.15Å; K199-L244 HydrophobicContact CG-CD1 4.42Å; E200-L244 HydrophobicContact CB-CB 4Å; E200-L244 HydrophobicContact CB-CD2 4.22Å; P203-L244 HydrophobicContact CB-CD2 4.39Å; P203-L244 HydrophobicContact CG-CD2 3.73Å; D241-L244 VanDerWaalsContact O-CB 3.27Å; D241-L244 WeakPolarHBondContact O-CB 3.5Å; D241-L244 WeakPolarHBondContact O-CG 3.43Å; D241-L244 PolarHBondContact O-N 3.01Å; I242-L244 VanDerWaalsContact C-N 3.32Å; L244-V269 CarbonylContact O-C 3.54Å; L244-V269 WeakPolarHBondContact O-CA 3.25Å; L244-V270 PolarHBondContact O-N 2.81Å
245	R	97.1	Very high	97.2	Very high	21 Å²	21	31.7 Å²	31.7	8%	0.079	20%	0.204	C	C	.	.			trans	-76.4	159.3	163.1	-58.2	-165.4	-57.1	121.4	-0.4	110.6	E200 A206 S218 W225 E265 S266 V269	E200-R245 PolarHBondContact N-O 3.06Å; E200-R245 PolarHBondContact OE2-N 3.39Å; A206-R245 VanDerWaalsContact CB-NH2 3.27Å; A206-R245 PolarHBondContact O-NH2 2.79Å; S218-R245 PolarHBondContact OG-NH1 3.3Å; W225-R245 HydrophobicContact CH2-CB 3.96Å; W225-R245 HydrophobicContact CZ3-CB 4.46Å; W225-R245 WeakPolarHBondContact CZ3-O 3.32Å; R245-E265 IonicContact CZ-OE2 3.67Å; R245-E265 IonicContact NH1-OE2 3.19Å; R245-E265 PolarHBondContact NH1-OE2 3.35Å; R245-E265 IonicContact NH2-OE2 2.86Å; R245-E265 PolarHBondContact NH2-OE2 3.37Å; R245-S266 WeakPolarHBondContact CA-OG 3.39Å; R245-S266 WeakPolarHBondContact CD-O 3.48Å; R245-S266 PolarHBondContact NH1-O 2.96Å; R245-V269 HydrophobicContact CG-CG1 3.86Å
246	L	97.6	Very high	96.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	152.2	176.6	-58.1	-177.4	0	0	0	110.4	I173 V179 W197 Y198 K199 W225 Y235 P237 E265 S266 V270	I173-L246 HydrophobicContact CD1-CD1 4.23Å; I173-L246 HydrophobicContact CG2-CD1 4.15Å; V179-L246 HydrophobicContact CG2-CD1 4.17Å; W197-L246 HydrophobicContact CE3-CB 4.34Å; W197-L246 HydrophobicContact CZ3-CB 4.14Å; W197-L246 HydrophobicContact CZ3-CD1 4.21Å; Y198-L246 WeakPolarHBondContact O-CA 3.47Å; K199-L246 HydrophobicContact CB-CD2 3.98Å; W225-L246 VanDerWaalsContact CZ3-C 3.41Å; Y235-L246 HydrophobicContact CD1-CD1 3.67Å; Y235-L246 HydrophobicContact CD1-CD2 4.48Å; Y235-L246 HydrophobicContact CE1-CD1 3.8Å; Y235-L246 HydrophobicContact CE1-CD2 3.88Å; P237-L246 HydrophobicContact CG-CD1 4.13Å; L246-E265 CarbonylContact O-C 3.56Å; L246-E265 WeakPolarHBondContact O-CA 3.1Å; L246-S266 PolarHBondContact N-OG 2.87Å; L246-S266 PolarHBondContact O-N 2.82Å; L246-S266 PolarHBondContact O-OG 2.74Å; L246-V270 HydrophobicContact CD1-CG2 4.16Å; L246-V270 HydrophobicContact CD2-CG2 4.13Å; L246-V270 HydrophobicContact CG-CG2 4.05Å
247	K	97.4	Very high	96.5	Very high	8 Å²	8	39.4 Å²	39.4	4%	0.035	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	133.4	171.3	177	179.5	79.7	156.8	0	109.8	Y198 W225 E263 L264 E265	Y198-K247 PolarHBondContact N-O 3.37Å; Y198-K247 PolarHBondContact O-N 2.96Å; W225-K247 HydrophobicContact CD2-CB 3.92Å; W225-K247 HydrophobicContact CD2-CD 4.08Å; W225-K247 HydrophobicContact CE3-CB 3.57Å; W225-K247 HydrophobicContact CG-CD 4.36Å; W225-K247 HydrophobicContact CH2-CB 3.7Å; W225-K247 HydrophobicContact CZ2-CB 4.03Å; W225-K247 HydrophobicContact CZ2-CD 4.43Å; W225-K247 HydrophobicContact CZ3-CB 3.45Å; W225-K247 VanDerWaalsContact CZ3-CB 3.45Å; K247-E263 WeakPolarHBondContact CD-OE2 3.38Å; K247-E263 WeakPolarHBondContact CE-OE2 3.5Å; K247-E263 IonicContact NZ-OE1 3.7Å; K247-E263 IonicContact NZ-OE2 3.53Å; K247-E263 PolarHBondContact NZ-OE2 2.86Å; K247-L264 CarbonylContact C-O 3.56Å; K247-L264 VanDerWaalsContact CA-O 3.26Å; K247-L264 WeakPolarHBondContact CA-O 3.25Å; K247-L264 WeakPolarHBondContact CG-O 3.34Å; K247-E265 HydrophobicContact CB-CG 4.26Å; K247-E265 HydrophobicContact CD-CG 4.02Å; K247-E265 HydrophobicContact CG-CG 4.08Å
248	L	97.5	Very high	96.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	123.6	173.1	164.9	70.5	0	0	0	108.8	P181 F195 W197 C250 E263 L264	P181-L248 HydrophobicContact CB-CD2 3.86Å; P181-L248 HydrophobicContact CG-CD2 3.89Å; F195-L248 HydrophobicContact CB-CD1 4.16Å; F195-L248 HydrophobicContact CD1-CD1 4.13Å; W197-L248 HydrophobicContact CD2-CB 4.25Å; W197-L248 HydrophobicContact CD2-CD1 4.17Å; W197-L248 HydrophobicContact CE3-CB 4.11Å; W197-L248 HydrophobicContact CG-CD1 4.43Å; W197-L248 HydrophobicContact CH2-CB 4.13Å; W197-L248 HydrophobicContact CZ2-CB 4.24Å; W197-L248 HydrophobicContact CZ2-CD1 4.19Å; W197-L248 HydrophobicContact CZ2-CD2 4.2Å; W197-L248 HydrophobicContact CZ2-CG 4.45Å; W197-L248 HydrophobicContact CZ3-CB 4.06Å; L248-C250 HydrophobicContact CG-CB 4.4Å; L248-E263 CarbonylContact O-C 3.55Å; L248-E263 VanDerWaalsContact O-CA 3.29Å; L248-E263 WeakPolarHBondContact O-CA 3.34Å; L248-L264 HydrophobicContact CB-CD2 3.6Å; L248-L264 HydrophobicContact CD2-CD2 3.89Å; L248-L264 HydrophobicContact CG-CD2 4.04Å; L248-L264 PolarHBondContact N-O 3.04Å; L248-L264 PolarHBondContact O-N 2.76Å
249	H	97.2	Very high	95.9	Very high	41 Å²	41	42.2 Å²	42.2	19%	0.19	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.1	164.4	173.2	-77.1	0	0	0	108.3	F195 R196 Y198 T251 S261 R262 E263	F195-H249 CarbonylContact C-O 3.57Å; R196-H249 HydrophobicContact CB-CB 4.38Å; R196-H249 PolarHBondContact N-O 3.37Å; R196-H249 PolarHBondContact O-N 2.69Å; Y198-H249 HydrophobicContact CE2-CB 3.81Å; H249-T251 PolarHBondContact CE1-OG1 2.77Å; H249-S261 WeakPolarHBondContact NE2-CB 3.46Å; H249-S261 PolarHBondContact NE2-OG 3.2Å; H249-R262 WeakPolarHBondContact CA-O 3.37Å; H249-E263 HydrophobicContact CB-CG 4.07Å; H249-E263 IonicContact CD2-OE1 2.84Å; H249-E263 PolarHBondContact CD2-OE1 3.29Å
250	C	97	Very high	95.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	140.5	-179	55.8	0	0	0	0	112.1	F164 L167 L194 F195 L248 S261 R262	F164-C250 HydrophobicContact CE2-CB 3.7Å; F164-C250 WeakPolarHBondContact CE2-SG 3.34Å; F164-C250 HydrophobicContact CZ-CB 3.98Å; L167-C250 VanDerWaalsContact CD1-SG 3.5Å; L194-C250 CarbonylContact O-C 3.56Å; L194-C250 WeakPolarHBondContact O-CA 3.43Å; F195-C250 HydrophobicContact CD1-CB 3.71Å; F195-C250 HydrophobicContact CE1-CB 3.94Å; L248-C250 HydrophobicContact CG-CB 4.4Å; C250-S261 CarbonylContact O-C 3.49Å; C250-S261 VanDerWaalsContact O-CA 3.31Å; C250-S261 WeakPolarHBondContact O-CA 3.32Å; C250-R262 PolarHBondContact N-O 3.39Å; C250-R262 PolarHBondContact O-N 2.91Å
251	T	97.2	Very high	95.3	Very high	20 Å²	20	38.9 Å²	38.9	12%	0.123	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.6	177.5	-51.2	0	0	0	0	109.4	S193 L194 H249 F258 G259 S261	S193-T251 CarbonylContact C-O 3.57Å; S193-T251 WeakPolarHBondContact CA-O 3.42Å; S193-T251 WeakPolarHBondContact CB-O 3.36Å; L194-T251 PolarHBondContact N-O 2.93Å; L194-T251 PolarHBondContact O-N 2.96Å; H249-T251 PolarHBondContact CE1-OG1 2.77Å; T251-F258 HydrophobicContact CG2-CB 3.8Å; T251-F258 HydrophobicContact CG2-CD1 4.01Å; T251-F258 HydrophobicContact CG2-CG 4.12Å; T251-G259 WeakPolarHBondContact CG2-O 3.34Å; T251-S261 WeakPolarHBondContact OG1-CB 3.45Å
252	P	97	Very high	95	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.23	C	C	.	.			trans	-70.2	138.7	-178.3	29.7	-33.3	0	0	0	110.6	P162 F164 L185 F258 G259 P260	P162-P252 HydrophobicContact CB-CB 3.95Å; P162-P252 HydrophobicContact CB-CG 4.45Å; P162-P252 WeakPolarHBondContact O-CG 3.48Å; F164-P252 HydrophobicContact CD2-CB 3.91Å; F164-P252 HydrophobicContact CD2-CG 4Å; F164-P252 HydrophobicContact CE1-CB 4.46Å; F164-P252 HydrophobicContact CE2-CB 3.77Å; F164-P252 VanDerWaalsContact CE2-CD 3.5Å; F164-P252 HydrophobicContact CE2-CG 4.09Å; F164-P252 HydrophobicContact CG-CB 4.33Å; F164-P252 HydrophobicContact CZ-CB 4.05Å; L185-P252 HydrophobicContact CD1-CB 3.31Å; P252-F258 CarbonylContact O-C 3.59Å; P252-F258 WeakPolarHBondContact O-CA 3.49Å; P252-G259 PolarHBondContact O-N 2.83Å; P252-P260 WeakPolarHBondContact CD-O 3.4Å
253	G	95.6	Very high	94.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-141.9	159	178.7	0	0	0	0	0	113.7	G188 D189 S193 R257	G188-G253 CarbonylContact C-O 3.52Å; G188-G253 VanDerWaalsContact CA-O 3.24Å; G188-G253 WeakPolarHBondContact CA-O 3.36Å; D189-G253 PolarHBondContact N-O 2.79Å; S193-G253 PolarHBondContact OG-N 2.86Å; S193-G253 VanDerWaalsContact OG-N 3.07Å; G253-R257 WeakPolarHBondContact CA-O 3.26Å
254	D	94.4	Very high	94.6	Very high	44 Å²	44	41.6 Å²	41.6	24%	0.235	22%	0.222	C	C	.	.			trans	-121.3	9.4	178.7	60.3	13.4	0	0	0	113.4	P162 F187 Q256 R257	P162-D254 HydrophobicContact CG-CB 3.79Å; F187-D254 WeakPolarHBondContact O-CB 3.31Å; D254-Q256 VanDerWaalsContact C-N 3.28Å; D254-Q256 PolarHBondContact O-N 2.84Å; D254-Q256 WeakPolarHBondContact OD1-CA 3.49Å; D254-Q256 WeakPolarHBondContact OD1-CB 3.39Å; D254-Q256 PolarHBondContact OD1-N 3.41Å; D254-R257 PolarHBondContact N-O 3.07Å; D254-R257 PolarHBondContact OD1-N 2.98Å; D254-R257 WeakPolarHBondContact OD2-CG 3.39Å; D254-R257 IonicContact OD2-NE 2.63Å
255	G	92.8	Very high	94.4	Very high	63 Å²	63	41.6 Å²	41.6	65%	0.649	22%	0.221	S	C	*	.	S	Bend	trans	86.8	-10.1	-176.5	0	0	0	0	0	114	S192	S192-G255 PolarHBondContact OG-N 2.96Å
256	Q	91.8	Very high	94.4	Very high	183 Å²	183	40.7 Å²	40.7	86%	0.855	22%	0.218	S	C	*	.	S	Bend	trans	-112.9	-40.5	176	-58.3	-172.9	16.4	0	0	112.2	D254	D254-Q256 VanDerWaalsContact C-N 3.28Å; D254-Q256 PolarHBondContact O-N 2.84Å; D254-Q256 WeakPolarHBondContact OD1-CA 3.49Å; D254-Q256 WeakPolarHBondContact OD1-CB 3.39Å; D254-Q256 PolarHBondContact OD1-N 3.41Å
257	R	90.7	Very high	94.1	Very high	73 Å²	73	47.1 Å²	47.1	28%	0.275	26%	0.257	S	S	.	.			trans	-145.6	167.5	-177.1	59.8	-177.8	174.2	177.3	5.3	111.5	D144 R159 N160 P162 G253 D254	D144-R257 IonicContact OD1-CZ 2.71Å; D144-R257 IonicContact OD1-NH1 4Å; D144-R257 PolarHBondContact OD1-NH1 3.14Å; D144-R257 IonicContact OD1-NH2 2.8Å; D144-R257 IonicContact OD2-CZ 3.16Å; D144-R257 IonicContact OD2-NH1 3.72Å; D144-R257 PolarHBondContact OD2-NH1 2.92Å; R159-R257 PolarHBondContact O-NH2 3.41Å; N160-R257 PolarHBondContact O-NH2 2.76Å; P162-R257 HydrophobicContact CG-CG 4.44Å; G253-R257 WeakPolarHBondContact CA-O 3.26Å; D254-R257 PolarHBondContact N-O 3.07Å; D254-R257 PolarHBondContact OD1-N 2.98Å; D254-R257 WeakPolarHBondContact OD2-CG 3.39Å; D254-R257 IonicContact OD2-NE 2.63Å
258	F	92.8	Very high	94	Very high	107 Å²	107	47.9 Å²	47.9	47%	0.469	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-112.3	143	175.4	-66.8	-67.9	0	0	0	110.8	S192 L194 T251 P252	S192-F258 WeakPolarHBondContact O-CE1 3.4Å; L194-F258 HydrophobicContact CD1-CD1 4.43Å; L194-F258 HydrophobicContact CD1-CE1 3.87Å; L194-F258 HydrophobicContact CD1-CE2 4.26Å; L194-F258 HydrophobicContact CD1-CZ 3.78Å; L194-F258 HydrophobicContact CD2-CE1 4.24Å; L194-F258 HydrophobicContact CD2-CZ 4.15Å; L194-F258 HydrophobicContact CG-CD1 4.4Å; L194-F258 HydrophobicContact CG-CE1 3.63Å; L194-F258 HydrophobicContact CG-CZ 3.87Å; T251-F258 HydrophobicContact CG2-CB 3.8Å; T251-F258 HydrophobicContact CG2-CD1 4.01Å; T251-F258 HydrophobicContact CG2-CG 4.12Å; P252-F258 CarbonylContact O-C 3.59Å; P252-F258 WeakPolarHBondContact O-CA 3.49Å
259	G	90.9	Very high	94	Very high	9 Å²	9	50.6 Å²	50.6	9%	0.093	28%	0.28	C	S	.	.			trans	-88	-171.3	167.5	0	0	0	0	0	113.2	P162 T251 P252 S261	P162-G259 VanDerWaalsContact O-CA 3.28Å; P162-G259 WeakPolarHBondContact O-CA 3.49Å; T251-G259 WeakPolarHBondContact CG2-O 3.34Å; P252-G259 PolarHBondContact O-N 2.83Å; G259-S261 PolarHBondContact O-N 2.92Å
260	P	89.5	Confident	94.1	Very high	70 Å²	70	48.8 Å²	48.8	46%	0.455	27%	0.272	S	S	.	.			trans	-66.4	132.3	177.9	28.3	-33	0	0	0	111.2	P252	P252-P260 WeakPolarHBondContact CD-O 3.4Å
261	S	92.8	Very high	94.1	Very high	64 Å²	64	52.6 Å²	52.6	45%	0.448	29%	0.289	S	S	.	.			trans	-69.4	157.2	175	62.5	0	0	0	0	112	H249 C250 T251 G259	H249-S261 WeakPolarHBondContact NE2-CB 3.46Å; H249-S261 PolarHBondContact NE2-OG 3.2Å; C250-S261 CarbonylContact O-C 3.49Å; C250-S261 VanDerWaalsContact O-CA 3.31Å; C250-S261 WeakPolarHBondContact O-CA 3.32Å; T251-S261 WeakPolarHBondContact OG1-CB 3.45Å; G259-S261 PolarHBondContact O-N 2.92Å
262	R	93.1	Very high	94.2	Very high	62 Å²	62	54.7 Å²	54.7	23%	0.234	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.1	175.2	-60.4	-174.4	77.6	176.8	7.2	109.6	F164 L167 L216 H249 C250	F164-R262 PolarHBondContact O-NH1 3.05Å; L167-R262 HydrophobicContact CD2-CB 3.8Å; L216-R262 VanDerWaalsContact CG-NH2 3.3Å; H249-R262 WeakPolarHBondContact CA-O 3.37Å; C250-R262 PolarHBondContact N-O 3.39Å; C250-R262 PolarHBondContact O-N 2.91Å
263	E	93.1	Very high	94.1	Very high	89 Å²	89	55.9 Å²	55.9	42%	0.416	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	145.9	170.9	-62.5	-170.2	-175.2	0	0	109.3	K247 L248 H249	K247-E263 WeakPolarHBondContact CD-OE2 3.38Å; K247-E263 WeakPolarHBondContact CE-OE2 3.5Å; K247-E263 IonicContact NZ-OE1 3.7Å; K247-E263 IonicContact NZ-OE2 3.53Å; K247-E263 PolarHBondContact NZ-OE2 2.86Å; L248-E263 CarbonylContact O-C 3.55Å; L248-E263 VanDerWaalsContact O-CA 3.29Å; L248-E263 WeakPolarHBondContact O-CA 3.34Å; H249-E263 HydrophobicContact CB-CG 4.07Å; H249-E263 IonicContact CD2-OE1 2.84Å; H249-E263 PolarHBondContact CD2-OE1 3.29Å
264	L	92.5	Very high	94.1	Very high	6 Å²	6	57 Å²	57	3%	0.031	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	141.4	162.2	91.1	170.7	0	0	0	111.9	L167 L169 K247 L248	L167-L264 HydrophobicContact CD2-CB 4.23Å; L167-L264 HydrophobicContact CD2-CD2 4.06Å; L167-L264 HydrophobicContact CG-CD1 4.31Å; L167-L264 HydrophobicContact CG-CD2 4.29Å; L169-L264 HydrophobicContact CB-CD1 3.94Å; L169-L264 HydrophobicContact CB-CG 4.38Å; L169-L264 HydrophobicContact CD1-CD1 4.13Å; L169-L264 HydrophobicContact CD1-CD2 3.9Å; L169-L264 HydrophobicContact CD1-CG 3.61Å; L169-L264 HydrophobicContact CD2-CD2 4.28Å; L169-L264 HydrophobicContact CG-CD1 3.54Å; L169-L264 HydrophobicContact CG-CD2 3.73Å; L169-L264 HydrophobicContact CG-CG 3.55Å; L169-L264 VanDerWaalsContact N-CD1 3.27Å; K247-L264 CarbonylContact C-O 3.56Å; K247-L264 VanDerWaalsContact CA-O 3.26Å; K247-L264 WeakPolarHBondContact CA-O 3.25Å; K247-L264 WeakPolarHBondContact CG-O 3.34Å; L248-L264 HydrophobicContact CB-CD2 3.6Å; L248-L264 HydrophobicContact CD2-CD2 3.89Å; L248-L264 HydrophobicContact CG-CD2 4.04Å; L248-L264 PolarHBondContact N-O 3.04Å; L248-L264 PolarHBondContact O-N 2.76Å
265	E	95.1	Very high	94	Very high	13 Å²	13	58.9 Å²	58.9	6%	0.061	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	142.9	175.2	-53.9	-178.6	178.3	0	0	110.2	S217 S218 S220 W225 R245 L246 K247	S217-E265 PolarHBondContact OG-N 3.34Å; S218-E265 VanDerWaalsContact O-OE2 3.06Å; S218-E265 PolarHBondContact OG-OE2 2.93Å; S220-E265 PolarHBondContact N-OE1 3.47Å; S220-E265 VanDerWaalsContact N-OE1 3.07Å; S220-E265 VanDerWaalsContact OG-CD 3.29Å; S220-E265 PolarHBondContact OG-OE1 2.81Å; S220-E265 PolarHBondContact OG-OE2 3.43Å; W225-E265 HydrophobicContact CH2-CB 4.26Å; W225-E265 HydrophobicContact CH2-CG 4.18Å; W225-E265 HydrophobicContact CZ2-CB 4.15Å; W225-E265 VanDerWaalsContact CZ2-CD 3.4Å; W225-E265 HydrophobicContact CZ2-CG 3.64Å; R245-E265 IonicContact CZ-OE2 3.67Å; R245-E265 IonicContact NH1-OE2 3.19Å; R245-E265 PolarHBondContact NH1-OE2 3.35Å; R245-E265 IonicContact NH2-OE2 2.86Å; R245-E265 PolarHBondContact NH2-OE2 3.37Å; L246-E265 CarbonylContact O-C 3.56Å; L246-E265 WeakPolarHBondContact O-CA 3.1Å; K247-E265 HydrophobicContact CB-CG 4.26Å; K247-E265 HydrophobicContact CD-CG 4.02Å; K247-E265 HydrophobicContact CG-CG 4.08Å
266	S	95.7	Very high	94.1	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.014	36%	0.356	C	S	.	.			trans	-67.4	144.8	170.4	69.1	0	0	0	0	110	R245 L246 C268	R245-S266 WeakPolarHBondContact CA-OG 3.39Å; R245-S266 WeakPolarHBondContact CD-O 3.48Å; R245-S266 PolarHBondContact NH1-O 2.96Å; L246-S266 PolarHBondContact N-OG 2.87Å; L246-S266 PolarHBondContact O-N 2.82Å; L246-S266 PolarHBondContact O-OG 2.74Å; S266-C268 WeakPolarHBondContact CB-O 3.22Å; S266-C268 PolarHBondContact OG-O 3.01Å
267	V	92.4	Very high	94.4	Very high	136 Å²	136	52.1 Å²	52.1	82%	0.824	32%	0.317	S	S	*	.	S	Bend	trans	-82.2	-33	173.1	-178.2	0	0	0	0	110.4
268	C	94.8	Very high	94.8	Very high	23 Å²	23	48.9 Å²	48.9	16%	0.155	31%	0.305	C	S	.	.	S	Bend	trans	-91.3	162.1	175.4	59.8	0	0	0	0	112.2	R171 S266	R171-C268 VanDerWaalsContact C-SG 3.57Å; R171-C268 VanDerWaalsContact O-CB 3.32Å; R171-C268 WeakPolarHBondContact O-CB 3.44Å; R171-C268 PolarHBondContact O-SG 3.41Å; S266-C268 WeakPolarHBondContact CB-O 3.22Å; S266-C268 PolarHBondContact OG-O 3.01Å
269	V	97.7	Very high	95.1	Very high	58 Å²	58	43.8 Å²	43.8	35%	0.352	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-89.7	160.4	164.6	-64.7	0	0	0	0	109.7	G243 L244 R245 E271	G243-V269 WeakPolarHBondContact O-CG1 3.39Å; L244-V269 CarbonylContact O-C 3.54Å; L244-V269 WeakPolarHBondContact O-CA 3.25Å; R245-V269 HydrophobicContact CG-CG1 3.86Å; V269-E271 PolarHBondContact O-N 2.88Å
270	V	98.5	Very high	95.4	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.012	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	127	169.5	-179.7	0	0	0	0	109.4	I173 A175 P237 D241 I242 G243 L244 L246	I173-V270 HydrophobicContact CG2-CB 4.34Å; I173-V270 HydrophobicContact CG2-CG1 4.4Å; I173-V270 HydrophobicContact CG2-CG2 3.84Å; A175-V270 HydrophobicContact CB-CG1 4.18Å; P237-V270 HydrophobicContact CB-CG1 3.69Å; P237-V270 HydrophobicContact CB-CG2 3.94Å; P237-V270 HydrophobicContact CG-CG1 4.23Å; P237-V270 HydrophobicContact CG-CG2 4.13Å; D241-V270 HydrophobicContact CB-CG2 4.24Å; D241-V270 WeakPolarHBondContact O-CB 3.39Å; I242-V270 WeakPolarHBondContact CA-O 3.24Å; I242-V270 HydrophobicContact CG1-CG1 4.34Å; G243-V270 PolarHBondContact N-O 3.13Å; L244-V270 PolarHBondContact O-N 2.81Å; L246-V270 HydrophobicContact CD1-CG2 4.16Å; L246-V270 HydrophobicContact CD2-CG2 4.13Å; L246-V270 HydrophobicContact CG-CG2 4.05Å
271	E	98.5	Very high	95.8	Very high	80 Å²	80	46.8 Å²	46.8	37%	0.374	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	164.5	174.8	-63.7	-167	-140.5	0	0	111.8	Y172 I173 M174 A175 V269 G273	Y172-E271 PolarHBondContact OH-OE2 2.81Å; I173-E271 PolarHBondContact O-N 2.93Å; M174-E271 CarbonylContact C-O 3.58Å; M174-E271 WeakPolarHBondContact CA-O 3.42Å; A175-E271 PolarHBondContact N-O 3.05Å; V269-E271 PolarHBondContact O-N 2.88Å; E271-G273 PolarHBondContact O-N 3.07Å
272	A	98	Very high	96.1	Very high	65 Å²	65	43.8 Å²	43.8	54%	0.537	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-68.3	131.3	169.7	0	0	0	0	0	109.6	I242	I242-A272 HydrophobicContact CD1-CB 4.15Å
273	G	96.3	Very high	96.4	Very high	24 Å²	24	42.3 Å²	42.3	25%	0.247	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-71	168.4	169.7	0	0	0	0	0	112.5	E271	E271-G273 PolarHBondContact O-N 3.07Å
274	P	94.6	Very high	96.7	Very high	25 Å²	25	42.6 Å²	42.6	16%	0.162	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-57.3	149.5	164.9	27.4	-36	0	0	0	110.4	F177 C277 L334 V593	F177-P274 HydrophobicContact CE2-CG 4.07Å; F177-P274 HydrophobicContact CZ-CG 3.66Å; P274-C277 WeakPolarHBondContact CG-SG 3.39Å; P274-L334 HydrophobicContact CG-CD1 4.32Å; P274-V593 VanDerWaalsContact CB-O 3.32Å; P274-V593 WeakPolarHBondContact CB-O 3.27Å
275	G	93.1	Very high	97	Very high	82 Å²	82	47.1 Å²	47.1	85%	0.845	29%	0.286	S	S	*	.	S	Bend	trans	-59	-55.3	179.6	0	0	0	0	0	112.3
276	T	93.6	Very high	97.1	Very high	100 Å²	100	46.5 Å²	46.5	61%	0.613	28%	0.283	S	S	*	.			trans	-132.6	143.4	176.8	52.6	0	0	0	0	110.1	S594	T276-S594 WeakPolarHBondContact O-CB 3.46Å; T276-S594 PolarHBondContact O-OG 3.28Å
277	C	98.7	Very high	97.3	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.034	31%	0.313	C	S	.	.			trans	-112.3	148.3	168.1	-68.1	0	0	0	0	110.1	P274 F279 D280 S594	P274-C277 WeakPolarHBondContact CG-SG 3.39Å; C277-F279 HydrophobicContact CB-CD1 3.9Å; C277-F279 HydrophobicContact CB-CD2 3.93Å; C277-F279 HydrophobicContact CB-CE1 3.49Å; C277-F279 VanDerWaalsContact CB-CE1 3.49Å; C277-F279 HydrophobicContact CB-CE2 3.5Å; C277-F279 VanDerWaalsContact CB-CE2 3.5Å; C277-F279 HydrophobicContact CB-CG 4.12Å; C277-F279 HydrophobicContact CB-CZ 3.28Å; C277-F279 PolarHBondContact O-N 3.37Å; C277-F279 VanDerWaalsContact SG-CZ 3.54Å; C277-D280 PolarHBondContact N-OD2 3.26Å; C277-D280 WeakPolarHBondContact O-CB 2.99Å; C277-D280 PolarHBondContact O-N 2.86Å; C277-S594 WeakPolarHBondContact CA-O 3.3Å
278	T	98.6	Very high	97.5	Very high	5 Å²	5	55 Å²	55	3%	0.031	31%	0.308	C	S	.	.	H	α-helix	trans	-62.7	-20.5	-177.5	67.2	0	0	0	0	113.3	P579 E583 S594 H595	T278-P579 HydrophobicContact CG2-CB 4.41Å; T278-P579 HydrophobicContact CG2-CG 4.47Å; T278-E583 HydrophobicContact CG2-CB 4.41Å; T278-S594 PolarHBondContact N-O 2.65Å; T278-S594 VanDerWaalsContact N-O 3.08Å; T278-H595 HydrophobicContact CG2-CB 4.07Å; T278-H595 PolarHBondContact OG1-CE1 3.23Å; T278-H595 PolarHBondContact OG1-ND1 3.32Å
279	F	98.7	Very high	97.7	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-84.7	-11	177	53.3	-107.2	0	0	0	113.4	F177 C277 H281 R282 H283 L334 K337 E338	F177-F279 HydrophobicContact CE1-CZ 4.33Å; C277-F279 HydrophobicContact CB-CD1 3.9Å; C277-F279 HydrophobicContact CB-CD2 3.93Å; C277-F279 HydrophobicContact CB-CE1 3.49Å; C277-F279 VanDerWaalsContact CB-CE1 3.49Å; C277-F279 HydrophobicContact CB-CE2 3.5Å; C277-F279 VanDerWaalsContact CB-CE2 3.5Å; C277-F279 HydrophobicContact CB-CG 4.12Å; C277-F279 HydrophobicContact CB-CZ 3.28Å; C277-F279 PolarHBondContact O-N 3.37Å; C277-F279 VanDerWaalsContact SG-CZ 3.54Å; F279-H281 PolarHBondContact O-N 3.36Å; F279-R282 WeakPolarHBondContact O-CB 3.42Å; F279-R282 PolarHBondContact O-N 3.5Å; F279-R282 VanDerWaalsContact O-N 3.1Å; F279-H283 AromaticContact CD2-CE1 3.45Å; F279-H283 VanDerWaalsContact CD2-CE1 3.45Å; F279-H283 WeakPolarHBondContact CD2-CE1 3.42Å; F279-H283 AromaticContact CD2-ND1 3.96Å; F279-H283 PolarHBondContact O-CD2 3.18Å; F279-H283 PolarHBondContact O-N 2.64Å; F279-L334 HydrophobicContact CE1-CB 4.16Å; F279-L334 HydrophobicContact CE1-CG 4.29Å; F279-L334 HydrophobicContact CZ-CB 4.38Å; F279-L334 HydrophobicContact CZ-CG 4.31Å; F279-K337 HydrophobicContact CE2-CB 4.28Å; F279-K337 HydrophobicContact CE2-CD 3.84Å; F279-K337 HydrophobicContact CE2-CG 3.91Å; F279-K337 HydrophobicContact CZ-CB 4.32Å; F279-K337 HydrophobicContact CZ-CD 4.26Å; F279-K337 HydrophobicContact CZ-CG 4.41Å; F279-E338 HydrophobicContact CB-CB 4.34Å; F279-E338 HydrophobicContact CB-CG 3.8Å; F279-E338 HydrophobicContact CD1-CB 3.54Å; F279-E338 HydrophobicContact CD1-CG 3.7Å; F279-E338 HydrophobicContact CD2-CB 4.28Å; F279-E338 HydrophobicContact CE1-CB 3.79Å; F279-E338 HydrophobicContact CE1-CG 4.43Å; F279-E338 HydrophobicContact CG-CB 3.8Å; F279-E338 HydrophobicContact CG-CG 3.81Å; F279-E338 HydrophobicContact CZ-CB 4.27Å
280	D	98.5	Very high	97.8	Very high	52 Å²	52	54.8 Å²	54.8	28%	0.278	31%	0.306	S	S	.	.	H	α-helix	trans	-62.7	-43.5	-177.9	-70	-30.2	0	0	0	111.4	C277 R282 H283 K337	C277-D280 PolarHBondContact N-OD2 3.26Å; C277-D280 WeakPolarHBondContact O-CB 2.99Å; C277-D280 PolarHBondContact O-N 2.86Å; D280-R282 VanDerWaalsContact C-N 3.32Å; D280-H283 PolarHBondContact O-N 3.47Å; D280-K337 IonicContact OD1-NZ 3.86Å
281	H	98.4	Very high	97.8	Very high	89 Å²	89	60.8 Å²	60.8	41%	0.412	33%	0.334	S	S	.	.	H	α-helix	trans	-65.7	-37.6	173.9	-175.7	77.9	0	0	0	111.6	F279 H283 L284 Y285	F279-H281 PolarHBondContact O-N 3.36Å; H281-H283 VanDerWaalsContact C-N 3.31Å; H281-H283 PolarHBondContact O-N 3.12Å; H281-L284 WeakPolarHBondContact O-CB 3.45Å; H281-L284 VanDerWaalsContact O-CG 3.32Å; H281-L284 WeakPolarHBondContact O-CG 3.24Å; H281-L284 PolarHBondContact O-N 2.91Å; H281-L284 VanDerWaalsContact O-N 3.14Å; H281-Y285 AromaticContact CD2-CE2 3.88Å; H281-Y285 AromaticContact NE2-CE2 3.6Å
282	R	98.8	Very high	97.7	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.008	34%	0.341	C	S	.	.	H	α-helix	trans	-65.8	-35.5	-179.6	-52.8	-175.9	75.8	-164.9	5.3	111.5	F279 D280 L284 Y285 Y342 I576 P577 A601	F279-R282 WeakPolarHBondContact O-CB 3.42Å; F279-R282 PolarHBondContact O-N 3.5Å; F279-R282 VanDerWaalsContact O-N 3.1Å; D280-R282 VanDerWaalsContact C-N 3.32Å; R282-L284 PolarHBondContact O-N 3.24Å; R282-L284 VanDerWaalsContact O-N 3.14Å; R282-Y285 WeakPolarHBondContact O-CB 3.4Å; R282-Y285 PolarHBondContact O-N 2.97Å; R282-Y342 HydrophobicContact CB-CE1 3.99Å; R282-Y342 PolarHBondContact NH1-OH 2.85Å; R282-I576 HydrophobicContact CB-CG2 3.86Å; R282-I576 HydrophobicContact CG-CG2 4.48Å; R282-I576 PolarHBondContact NH2-O 3.35Å; R282-P577 PolarHBondContact NE-O 3.34Å; R282-A601 PolarHBondContact NH1-O 2.77Å; R282-A601 PolarHBondContact NH2-O 2.97Å
283	H	98.8	Very high	97.7	Very high	31 Å²	31	60.6 Å²	60.6	14%	0.144	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-18.3	175.4	-70.5	173.2	0	0	0	113.8	F279 D280 H281 Y285 T286 K287 K337 E338 Y342	F279-H283 AromaticContact CD2-CE1 3.45Å; F279-H283 VanDerWaalsContact CD2-CE1 3.45Å; F279-H283 WeakPolarHBondContact CD2-CE1 3.42Å; F279-H283 AromaticContact CD2-ND1 3.96Å; F279-H283 PolarHBondContact O-CD2 3.18Å; F279-H283 PolarHBondContact O-N 2.64Å; D280-H283 PolarHBondContact O-N 3.47Å; H281-H283 VanDerWaalsContact C-N 3.31Å; H281-H283 PolarHBondContact O-N 3.12Å; H283-Y285 PolarHBondContact O-N 2.9Å; H283-T286 WeakPolarHBondContact CA-OG1 3.43Å; H283-T286 PolarHBondContact O-N 3.18Å; H283-K287 PolarHBondContact O-N 2.9Å; H283-K337 PolarHBondContact CE1-O 3.4Å; H283-E338 PolarHBondContact NE2-O 3.14Å; H283-Y342 AromaticContact CD2-CD1 3.64Å; H283-Y342 AromaticContact CD2-CE1 3.7Å; H283-Y342 AromaticContact NE2-CD1 3.92Å; H283-Y342 AromaticContact NE2-CE1 3.92Å
284	L	98.6	Very high	97.8	Very high	95 Å²	95	60.2 Å²	60.2	50%	0.497	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-26.2	172.4	-58.1	177.1	0	0	0	112.7	H281 R282 K287	H281-L284 WeakPolarHBondContact O-CB 3.45Å; H281-L284 VanDerWaalsContact O-CG 3.32Å; H281-L284 WeakPolarHBondContact O-CG 3.24Å; H281-L284 PolarHBondContact O-N 2.91Å; H281-L284 VanDerWaalsContact O-N 3.14Å; R282-L284 PolarHBondContact O-N 3.24Å; R282-L284 VanDerWaalsContact O-N 3.14Å; L284-K287 VanDerWaalsContact O-CE 3.28Å; L284-K287 WeakPolarHBondContact O-CE 3.22Å; L284-K287 WeakPolarHBondContact O-CG 3.48Å
285	Y	98.8	Very high	98	Very high	101 Å²	101	59 Å²	59	40%	0.396	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-17.7	178	-61.4	-96.2	0	0	0	112.4	H281 R282 H283 P577	H281-Y285 AromaticContact CD2-CE2 3.88Å; H281-Y285 AromaticContact NE2-CE2 3.6Å; R282-Y285 WeakPolarHBondContact O-CB 3.4Å; R282-Y285 PolarHBondContact O-N 2.97Å; H283-Y285 PolarHBondContact O-N 2.9Å; Y285-P577 HydrophobicContact CD2-CG 4.22Å; Y285-P577 HydrophobicContact CE1-CG 4.34Å; Y285-P577 HydrophobicContact CE2-CG 3.69Å
286	T	98.8	Very high	98.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.278	C	S	.	.			trans	-119.8	26.7	-170.7	62.9	0	0	0	0	113.8	H283 K288 G341 Y342 N343 I576 V603	H283-T286 WeakPolarHBondContact CA-OG1 3.43Å; H283-T286 PolarHBondContact O-N 3.18Å; T286-K288 PolarHBondContact O-N 2.66Å; T286-G341 PolarHBondContact OG1-O 3.45Å; T286-Y342 VanDerWaalsContact CB-O 3.3Å; T286-Y342 WeakPolarHBondContact CB-O 3.48Å; T286-Y342 HydrophobicContact CG2-CD1 4.08Å; T286-Y342 WeakPolarHBondContact OG1-CA 3.28Å; T286-N343 PolarHBondContact O-ND2 3.18Å; T286-I576 HydrophobicContact CG2-CD1 4.4Å; T286-I576 HydrophobicContact CG2-CG1 3.68Å; T286-V603 HydrophobicContact CG2-CG1 4.49Å
287	K	98.4	Very high	98.6	Very high	150 Å²	150	50.7 Å²	50.7	65%	0.652	25%	0.249	S	C	*	.	S	Bend	trans	-55.1	-21.3	-174	-65.4	-178.6	-179.3	177.7	0	115.7	H283 L284	H283-K287 PolarHBondContact O-N 2.9Å; L284-K287 VanDerWaalsContact O-CE 3.28Å; L284-K287 WeakPolarHBondContact O-CE 3.22Å; L284-K287 WeakPolarHBondContact O-CG 3.48Å
288	K	98.4	Very high	98.6	Very high	165 Å²	165	50.5 Å²	50.5	72%	0.717	25%	0.248	S	C	*	.	S	Bend	trans	-140.3	155.4	-175.8	-61.9	-179.5	-176.1	172.8	0	110.1	T286 R296	T286-K288 PolarHBondContact O-N 2.66Å; K288-R296 PolarHBondContact O-NH1 3.37Å
289	V	98.8	Very high	98.6	Very high	59 Å²	59	50.2 Å²	50.2	36%	0.358	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-56.4	137.4	160	-178.5	0	0	0	0	108.4	N343	V289-N343 HydrophobicContact CG2-CB 4.18Å
290	T	98.6	Very high	98.6	Very high	18 Å²	18	50.3 Å²	50.3	11%	0.11	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-73	162.6	-178.7	60.5	0	0	0	0	111.6	L294 R296 D345 K390	T290-L294 HydrophobicContact CG2-CB 4.42Å; T290-L294 HydrophobicContact CG2-CD1 4.38Å; T290-R296 HydrophobicContact CG2-CB 3.96Å; T290-R296 VanDerWaalsContact CG2-NH2 3.29Å; T290-D345 PolarHBondContact OG1-OD2 2.95Å; T290-K390 PolarHBondContact OG1-NZ 3.14Å
291	E	98.2	Very high	98.6	Very high	129 Å²	129	47.8 Å²	47.8	60%	0.603	23%	0.233	S	C	*	.	P	Polyproline II helix	trans	-66.8	167.6	174	65.6	-178.1	169.1	0	0	112.9	A293 L294 K390	E291-A293 HydrophobicContact CG-CB 4.39Å; E291-A293 PolarHBondContact O-N 3.03Å; E291-A293 VanDerWaalsContact O-N 3.14Å; E291-L294 HydrophobicContact CG-CD1 4.11Å; E291-L294 HydrophobicContact CG-CG 3.97Å; E291-L294 PolarHBondContact O-N 2.83Å; E291-K390 PolarHBondContact O-NZ 2.82Å
292	D	98.1	Very high	98.6	Very high	95 Å²	95	43.7 Å²	43.7	51%	0.508	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-25	-173.2	-68.2	-11.6	0	0	0	113.7	L294 K444	D292-L294 VanDerWaalsContact C-N 3.32Å; D292-K444 HydrophobicContact CB-CB 4.23Å; D292-K444 HydrophobicContact CB-CG 3.99Å; D292-K444 WeakPolarHBondContact OD1-CE 3.27Å
293	A	97.3	Very high	98.6	Very high	45 Å²	45	43.8 Å²	43.8	37%	0.372	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-16.8	178.9	0	0	0	0	0	113.9	E291	E291-A293 HydrophobicContact CG-CB 4.39Å; E291-A293 PolarHBondContact O-N 3.03Å; E291-A293 VanDerWaalsContact O-N 3.14Å
294	L	98.8	Very high	98.6	Very high	16 Å²	16	42.3 Å²	42.3	8%	0.084	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	161.1	-175.1	-60.4	-179.1	0	0	0	111.8	T290 E291 D292 K390 E573 L606 K607	T290-L294 HydrophobicContact CG2-CB 4.42Å; T290-L294 HydrophobicContact CG2-CD1 4.38Å; E291-L294 HydrophobicContact CG-CD1 4.11Å; E291-L294 HydrophobicContact CG-CG 3.97Å; E291-L294 PolarHBondContact O-N 2.83Å; D292-L294 VanDerWaalsContact C-N 3.32Å; L294-K390 WeakPolarHBondContact O-CE 3.27Å; L294-K390 PolarHBondContact O-NZ 3.42Å; L294-E573 HydrophobicContact CD1-CG 4.49Å; L294-E573 HydrophobicContact CD2-CB 4.07Å; L294-E573 HydrophobicContact CD2-CG 4.12Å; L294-L606 CarbonylContact C-O 3.55Å; L294-L606 WeakPolarHBondContact CA-O 3.47Å; L294-K607 HydrophobicContact CD2-CB 3.72Å; L294-K607 HydrophobicContact CD2-CD 4.15Å; L294-K607 HydrophobicContact CD2-CG 3.88Å
295	I	98.9	Very high	98.5	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	105.9	168.8	-48.9	178	0	0	0	106.9	T297 D345 V346 F391 I450 L606 W608	I295-T297 PolarHBondContact O-N 3.45Å; I295-D345 WeakPolarHBondContact CA-OD2 3.41Å; I295-D345 HydrophobicContact CG2-CB 4.15Å; I295-V346 HydrophobicContact CG2-CB 4.46Å; I295-V346 HydrophobicContact CG2-CG2 3.89Å; I295-F391 HydrophobicContact CD1-CZ 3.93Å; I295-F391 HydrophobicContact CG1-CZ 4Å; I295-F391 HydrophobicContact CG2-CE2 4.21Å; I295-F391 HydrophobicContact CG2-CZ 4.32Å; I295-I450 HydrophobicContact CD1-CD1 3.62Å; I295-L606 HydrophobicContact CB-CB 4.42Å; I295-L606 PolarHBondContact N-O 3.25Å; I295-L606 PolarHBondContact O-N 3.01Å; I295-W608 HydrophobicContact CD1-CZ2 3.64Å
296	R	98.9	Very high	98.2	Very high	8 Å²	8	36.2 Å²	36.2	3%	0.03	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	116.8	169.8	180	169.1	-67.9	144.7	8.5	109.4	K288 T290 Y342 A344 D345 V346 V603 C604 D605	K288-R296 PolarHBondContact O-NH1 3.37Å; T290-R296 HydrophobicContact CG2-CB 3.96Å; T290-R296 VanDerWaalsContact CG2-NH2 3.29Å; R296-Y342 WeakPolarHBondContact CD-O 3.48Å; R296-Y342 PolarHBondContact NH1-O 3.42Å; R296-A344 HydrophobicContact CG-CB 4Å; R296-D345 PolarHBondContact N-OD2 2.89Å; R296-D345 PolarHBondContact O-N 2.87Å; R296-V346 PolarHBondContact O-N 3.01Å; R296-V603 HydrophobicContact CG-CG1 4.12Å; R296-C604 CarbonylContact C-O 3.41Å; R296-C604 WeakPolarHBondContact CA-O 3.5Å; R296-D605 VanDerWaalsContact CB-OD1 3.28Å; R296-D605 WeakPolarHBondContact CB-OD1 3.41Å; R296-D605 VanDerWaalsContact CG-OD1 3.24Å; R296-D605 WeakPolarHBondContact CG-OD1 3.43Å; R296-D605 IonicContact CZ-OD1 3.19Å; R296-D605 IonicContact CZ-OD2 3.59Å; R296-D605 IonicContact NE-OD1 3.28Å; R296-D605 PolarHBondContact NE-OD1 2.86Å; R296-D605 IonicContact NE-OD2 3.86Å; R296-D605 IonicContact NH2-OD1 2.79Å; R296-D605 PolarHBondContact NH2-OD1 3.33Å; R296-D605 IonicContact NH2-OD2 3.64Å; R296-D605 PolarHBondContact NH2-OD2 3.16Å
297	T	99	Very high	97.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	133.6	-175.1	-55.8	0	0	0	0	110.4	I295 V346 I492 I563 V603 C604	I295-T297 PolarHBondContact O-N 3.45Å; T297-V346 CarbonylContact C-O 3.53Å; T297-V346 VanDerWaalsContact CA-O 3.31Å; T297-V346 WeakPolarHBondContact CA-O 3.44Å; T297-V346 HydrophobicContact CG2-CG1 4.49Å; T297-I492 HydrophobicContact CG2-CG2 3.92Å; T297-I563 HydrophobicContact CG2-CD1 4.19Å; T297-I563 HydrophobicContact CG2-CG2 3.93Å; T297-V603 WeakPolarHBondContact O-CA 3.21Å; T297-C604 PolarHBondContact N-O 3.21Å; T297-C604 PolarHBondContact O-N 3.27Å; T297-C604 VanDerWaalsContact O-N 3.08Å
298	V	99	Very high	97.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	138	174.5	-179.4	0	0	0	0	110.1	L339 Y342 A344 V346 I347 C348 A601 L602 V603	V298-L339 HydrophobicContact CG1-CD2 4.22Å; V298-Y342 HydrophobicContact CG2-CD2 4.28Å; V298-A344 HydrophobicContact CG2-CB 3.63Å; V298-V346 PolarHBondContact N-O 3.46Å; V298-I347 HydrophobicContact CB-CB 4.28Å; V298-I347 HydrophobicContact CB-CG1 4.15Å; V298-I347 HydrophobicContact CB-CG2 4.01Å; V298-I347 HydrophobicContact CG1-CG2 4.11Å; V298-I347 HydrophobicContact CG2-CG1 4.21Å; V298-C348 PolarHBondContact O-N 2.72Å; V298-A601 HydrophobicContact CG1-CB 4.43Å; V298-L602 CarbonylContact C-O 3.59Å; V298-L602 WeakPolarHBondContact CA-O 3.15Å; V298-V603 HydrophobicContact CG1-CG2 4.35Å; V298-V603 HydrophobicContact CG2-CG1 4.08Å; V298-V603 HydrophobicContact CG2-CG2 4.03Å
299	S	98.9	Very high	97.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	128.7	163.2	-170.8	0	0	0	0	109.2	C348 G495 L602	S299-C348 CarbonylContact C-O 3.57Å; S299-C348 VanDerWaalsContact CA-O 3.29Å; S299-C348 WeakPolarHBondContact CA-O 3.49Å; S299-G495 PolarHBondContact OG-N 2.93Å; S299-L602 PolarHBondContact N-O 3.27Å; S299-L602 PolarHBondContact O-N 3.34Å
300	Y	98.9	Very high	96.8	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	118.5	-175.5	-167.4	-164.7	0	0	0	113.4	I302 E338 L339 C348 L349 Q350 S597 H599 A601	Y300-I302 HydrophobicContact CD1-CG2 3.66Å; Y300-I302 HydrophobicContact CE1-CG2 4.09Å; Y300-I302 HydrophobicContact CG-CG2 3.93Å; Y300-E338 VanDerWaalsContact CE1-OE2 3.32Å; Y300-E338 WeakPolarHBondContact CE1-OE2 3.4Å; Y300-E338 PolarHBondContact OH-OE2 3Å; Y300-L339 HydrophobicContact CD1-CD2 4.14Å; Y300-C348 PolarHBondContact N-O 3.31Å; Y300-L349 VanDerWaalsContact O-CA 3.27Å; Y300-L349 WeakPolarHBondContact O-CA 3.3Å; Y300-Q350 PolarHBondContact O-N 3.15Å; Y300-Q350 VanDerWaalsContact O-N 3.09Å; Y300-Q350 PolarHBondContact O-OE1 2.77Å; Y300-S597 WeakPolarHBondContact OH-CB 3.5Å; Y300-H599 HydrophobicContact CD2-CB 4.47Å; Y300-H599 HydrophobicContact CE2-CB 4.37Å; Y300-H599 VanDerWaalsContact CE2-O 3.31Å; Y300-H599 WeakPolarHBondContact CE2-O 3.39Å; Y300-A601 HydrophobicContact CD1-CB 3.61Å; Y300-A601 HydrophobicContact CD2-CB 3.83Å; Y300-A601 HydrophobicContact CE1-CB 3.93Å; Y300-A601 HydrophobicContact CE2-CB 4.16Å; Y300-A601 HydrophobicContact CG-CB 3.53Å
301	N	98.9	Very high	96.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	118.5	162.7	-178.6	-23.2	0	0	0	108.3	L303 Q350 E351 D496 S597 H599	N301-L303 PolarHBondContact OD1-N 2.8Å; N301-Q350 HydrophobicContact CB-CB 4.16Å; N301-E351 PolarHBondContact ND2-OE1 3.29Å; N301-E351 VanDerWaalsContact OD1-CB 3.26Å; N301-E351 WeakPolarHBondContact OD1-CB 3.48Å; N301-E351 VanDerWaalsContact OD1-CG 3.24Å; N301-E351 WeakPolarHBondContact OD1-CG 3.5Å; N301-E351 PolarHBondContact OD1-OE1 3.3Å; N301-D496 HydrophobicContact CB-CB 4.43Å; N301-D496 PolarHBondContact ND2-OD2 2.79Å; N301-S597 PolarHBondContact O-OG 3.21Å; N301-H599 HydrophobicContact CB-CB 4.03Å
302	I	98.8	Very high	96.3	Very high	2 Å²	2	37 Å²	37	1%	0.01	19%	0.187	C	C	.	.			trans	-98.9	11.2	-172	63.8	167.8	0	0	0	114.2	Y300 R331 I335 L349 Q350 V352 V356 L361	Y300-I302 HydrophobicContact CD1-CG2 3.66Å; Y300-I302 HydrophobicContact CE1-CG2 4.09Å; Y300-I302 HydrophobicContact CG-CG2 3.93Å; I302-R331 PolarHBondContact O-NH1 3.04Å; I302-I335 HydrophobicContact CB-CD1 4.07Å; I302-I335 HydrophobicContact CG2-CG2 4.42Å; I302-L349 HydrophobicContact CG2-CD2 4.05Å; I302-Q350 WeakPolarHBondContact CG1-O 3.32Å; I302-Q350 PolarHBondContact N-O 3Å; I302-Q350 VanDerWaalsContact N-O 3.13Å; I302-V352 HydrophobicContact CD1-CB 4.49Å; I302-V352 HydrophobicContact CD1-CG2 3.92Å; I302-V352 HydrophobicContact CG1-CG2 4.25Å; I302-V356 HydrophobicContact CD1-CG1 3.89Å; I302-L361 HydrophobicContact CD1-CD1 4.04Å
303	L	98.4	Very high	96	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	16%	0.164	C	C	.	.			trans	57.4	101.6	-179.6	178.4	60.8	0	0	0	112.7	N301 A308 Y318 R331 E351 P591	N301-L303 PolarHBondContact OD1-N 2.8Å; L303-A308 HydrophobicContact CD1-CB 4.39Å; L303-A308 HydrophobicContact CD2-CB 4.17Å; L303-A308 HydrophobicContact CG-CB 4.07Å; L303-Y318 HydrophobicContact CD2-CE2 4.34Å; L303-R331 VanDerWaalsContact O-CZ 3.27Å; L303-R331 PolarHBondContact O-NH1 3.15Å; L303-R331 PolarHBondContact O-NH2 3.32Å; L303-E351 WeakPolarHBondContact CA-OE2 3.31Å; L303-P591 HydrophobicContact CD2-CG 4.09Å
304	A	97.6	Very high	95.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.16	C	C	.	.			trans	-66.4	139.4	-176.3	0	0	0	0	0	111.2	T306 Y307 A308 E351 D353 E380	A304-T306 HydrophobicContact CB-CG2 3.82Å; A304-T306 PolarHBondContact O-N 2.84Å; A304-Y307 HydrophobicContact CB-CD2 3.86Å; A304-Y307 HydrophobicContact CB-CE2 4.08Å; A304-Y307 PolarHBondContact O-N 2.81Å; A304-A308 PolarHBondContact O-N 2.93Å; A304-E351 WeakPolarHBondContact CA-O 3.28Å; A304-E351 HydrophobicContact CB-CB 3.86Å; A304-E351 WeakPolarHBondContact CB-O 3.26Å; A304-E351 PolarHBondContact N-OE2 3.3Å; A304-D353 WeakPolarHBondContact CA-OD2 3.44Å; A304-E380 HydrophobicContact CB-CB 3.76Å; A304-E380 HydrophobicContact CB-CG 3.66Å
305	D	96.8	Very high	95.5	Very high	27 Å²	27	37.3 Å²	37.3	14%	0.144	18%	0.18	C	C	.	.	H	α-helix	trans	-62.3	-32.8	175.9	-166.3	55.9	0	0	0	112	Y307 A308 Q309 L328 D353	D305-Y307 PolarHBondContact O-N 3.15Å; D305-A308 PolarHBondContact O-N 3.02Å; D305-Q309 WeakPolarHBondContact O-CB 3.33Å; D305-Q309 VanDerWaalsContact O-CG 3.23Å; D305-Q309 WeakPolarHBondContact O-CG 3.34Å; D305-Q309 PolarHBondContact O-N 3.05Å; D305-Q309 PolarHBondContact O-NE2 3.38Å; D305-Q309 PolarHBondContact OD2-NE2 2.81Å; D305-L328 HydrophobicContact CB-CB 4.47Å; D305-L328 HydrophobicContact CB-CD1 3.85Å; D305-L328 HydrophobicContact CB-CD2 3.96Å; D305-L328 HydrophobicContact CB-CG 4.31Å; D305-D353 PolarHBondContact N-OD2 2.88Å
306	T	92.4	Very high	95.3	Very high	42 Å²	42	41.2 Å²	41.2	26%	0.258	20%	0.204	S	C	.	.	H	α-helix	trans	-56.9	-20.8	174.7	-164.7	0	0	0	0	113.3	A304 D353 H379 E380	A304-T306 HydrophobicContact CB-CG2 3.82Å; A304-T306 PolarHBondContact O-N 2.84Å; T306-D353 PolarHBondContact N-OD1 2.98Å; T306-H379 HydrophobicContact CG2-CB 3.96Å; T306-E380 HydrophobicContact CG2-CG 4.33Å
307	Y	91.2	Very high	95.1	Very high	83 Å²	83	44 Å²	44	33%	0.325	22%	0.219	S	C	.	.	H	α-helix	trans	-102.4	-44.4	173.5	-51.4	-39.4	0	0	0	111.6	A304 D305 Q309 T310 S313 E351 E380	A304-Y307 HydrophobicContact CB-CD2 3.86Å; A304-Y307 HydrophobicContact CB-CE2 4.08Å; A304-Y307 PolarHBondContact O-N 2.81Å; D305-Y307 PolarHBondContact O-N 3.15Å; Y307-Q309 PolarHBondContact O-N 2.92Å; Y307-T310 PolarHBondContact O-OG1 2.82Å; Y307-S313 WeakPolarHBondContact O-CB 3.28Å; Y307-S313 PolarHBondContact O-OG 2.78Å; Y307-E351 WeakPolarHBondContact CD2-OE2 3.29Å; Y307-E351 HydrophobicContact CE2-CG 4.44Å; Y307-E380 HydrophobicContact CE2-CG 3.85Å; Y307-E380 PolarHBondContact OH-OE1 3.49Å
308	A	91.6	Very high	95.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-67.6	-34.6	-174.4	0	0	0	0	0	114.5	L303 A304 D305 T310 S313	L303-A308 HydrophobicContact CD1-CB 4.39Å; L303-A308 HydrophobicContact CD2-CB 4.17Å; L303-A308 HydrophobicContact CG-CB 4.07Å; A304-A308 PolarHBondContact O-N 2.93Å; D305-A308 PolarHBondContact O-N 3.02Å; A308-T310 PolarHBondContact O-N 2.76Å; A308-T310 VanDerWaalsContact O-N 3.17Å; A308-S313 WeakPolarHBondContact O-CB 3.31Å
309	Q	89	Confident	95	Very high	119 Å²	119	48.6 Å²	48.6	56%	0.556	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-13.3	-173.5	78	-171.6	-77.6	0	0	114.3	D305 Y307	D305-Q309 WeakPolarHBondContact O-CB 3.33Å; D305-Q309 VanDerWaalsContact O-CG 3.23Å; D305-Q309 WeakPolarHBondContact O-CG 3.34Å; D305-Q309 PolarHBondContact O-N 3.05Å; D305-Q309 PolarHBondContact O-NE2 3.38Å; D305-Q309 PolarHBondContact OD2-NE2 2.81Å; Y307-Q309 PolarHBondContact O-N 2.92Å
310	T	92.5	Very high	95	Very high	55 Å²	55	50.2 Å²	50.2	34%	0.337	25%	0.254	S	S	.	.	S	Bend	trans	-71.3	147.8	-173.1	73.3	0	0	0	0	111.9	Y307 A308 F312 S313 R314	Y307-T310 PolarHBondContact O-OG1 2.82Å; A308-T310 PolarHBondContact O-N 2.76Å; A308-T310 VanDerWaalsContact O-N 3.17Å; T310-F312 PolarHBondContact O-N 2.97Å; T310-S313 PolarHBondContact O-N 2.87Å; T310-S313 VanDerWaalsContact O-N 3.15Å; T310-S313 WeakPolarHBondContact OG1-CB 3.07Å; T310-S313 PolarHBondContact OG1-N 3.41Å; T310-S313 PolarHBondContact OG1-OG 3.45Å; T310-R314 WeakPolarHBondContact O-CG 3.19Å; T310-R314 PolarHBondContact O-N 3.25Å; T310-R314 VanDerWaalsContact O-N 3.09Å
311	E	92.3	Very high	94.9	Very high	154 Å²	154	50.6 Å²	50.6	72%	0.72	26%	0.256	S	S	*	.	H	α-helix	trans	-58.5	-36.7	174	-174.8	176.4	-171.9	0	0	111.5	R314 T315	E311-R314 PolarHBondContact O-N 3.46Å; E311-T315 HydrophobicContact CG-CG2 4.19Å; E311-T315 WeakPolarHBondContact O-CB 3.43Å; E311-T315 WeakPolarHBondContact O-CG2 3.46Å; E311-T315 PolarHBondContact O-N 2.91Å; E311-T315 PolarHBondContact O-OG1 2.82Å
312	F	94.2	Very high	94.9	Very high	125 Å²	125	51.9 Å²	51.9	55%	0.548	27%	0.267	S	S	.	.	H	α-helix	trans	-60.2	-47.6	174.6	-178.4	-94.3	0	0	0	111.8	T310 R314 T315 V316 L317	T310-F312 PolarHBondContact O-N 2.97Å; F312-R314 VanDerWaalsContact C-N 3.34Å; F312-R314 PolarHBondContact O-N 3.44Å; F312-T315 PolarHBondContact O-N 2.77Å; F312-V316 HydrophobicContact CD2-CB 4.08Å; F312-V316 HydrophobicContact CD2-CG2 3.72Å; F312-V316 HydrophobicContact CE1-CB 4.36Å; F312-V316 HydrophobicContact CE1-CG1 4.42Å; F312-V316 HydrophobicContact CE2-CB 3.87Å; F312-V316 HydrophobicContact CE2-CG1 3.86Å; F312-V316 HydrophobicContact CE2-CG2 3.74Å; F312-V316 HydrophobicContact CG-CB 4.42Å; F312-V316 HydrophobicContact CG-CG2 4.38Å; F312-V316 HydrophobicContact CZ-CB 4.01Å; F312-V316 HydrophobicContact CZ-CG1 3.77Å; F312-V316 HydrophobicContact CZ-CG2 4.4Å; F312-V316 WeakPolarHBondContact O-CA 3.49Å; F312-V316 VanDerWaalsContact O-CB 3.25Å; F312-V316 WeakPolarHBondContact O-CB 3.38Å; F312-V316 PolarHBondContact O-N 3.1Å; F312-L317 HydrophobicContact CD1-CD1 4.26Å; F312-L317 HydrophobicContact CD1-CG 4.14Å; F312-L317 HydrophobicContact CE1-CD1 4.12Å; F312-L317 HydrophobicContact CE1-CD2 3.89Å; F312-L317 HydrophobicContact CE1-CG 3.82Å; F312-L317 PolarHBondContact O-N 3.33Å
313	S	93.3	Very high	94.8	Very high	5 Å²	5	55.7 Å²	55.7	4%	0.035	29%	0.291	C	S	.	.	I	π-helix	trans	-59.5	-45.2	176.5	-67.8	0	0	0	0	111.6	Y307 A308 T310 T315 L317 Y318	Y307-S313 WeakPolarHBondContact O-CB 3.28Å; Y307-S313 PolarHBondContact O-OG 2.78Å; A308-S313 WeakPolarHBondContact O-CB 3.31Å; T310-S313 PolarHBondContact O-N 2.87Å; T310-S313 VanDerWaalsContact O-N 3.15Å; T310-S313 WeakPolarHBondContact OG1-CB 3.07Å; T310-S313 PolarHBondContact OG1-N 3.41Å; T310-S313 PolarHBondContact OG1-OG 3.45Å; S313-T315 PolarHBondContact O-N 3.14Å; S313-L317 PolarHBondContact O-N 3.4Å; S313-Y318 WeakPolarHBondContact O-CB 3.37Å; S313-Y318 WeakPolarHBondContact O-CD2 3.38Å; S313-Y318 PolarHBondContact O-N 3.45Å
314	R	91.6	Very high	94.8	Very high	75 Å²	75	61.2 Å²	61.2	28%	0.283	31%	0.313	S	S	.	.	I	π-helix	trans	-67.6	-34.6	-179.3	-65.2	171.4	73	103.4	-18.7	113.8	T310 E311 F312 Y318 P319 P323 L326 E327	T310-R314 WeakPolarHBondContact O-CG 3.19Å; T310-R314 PolarHBondContact O-N 3.25Å; T310-R314 VanDerWaalsContact O-N 3.09Å; E311-R314 PolarHBondContact O-N 3.46Å; F312-R314 VanDerWaalsContact C-N 3.34Å; F312-R314 PolarHBondContact O-N 3.44Å; R314-Y318 CarbonylContact O-C 3.59Å; R314-P319 WeakPolarHBondContact O-CA 3.26Å; R314-P323 PolarHBondContact NH1-O 2.77Å; R314-P323 VanDerWaalsContact NH1-O 3.14Å; R314-P323 VanDerWaalsContact NH2-CB 3.34Å; R314-L326 HydrophobicContact CB-CD1 4.4Å; R314-L326 HydrophobicContact CG-CD1 3.82Å; R314-E327 IonicContact CZ-OE1 2.99Å; R314-E327 IonicContact NH1-OE1 2.82Å; R314-E327 PolarHBondContact NH1-OE1 3.33Å; R314-E327 IonicContact NH2-OE1 3.41Å
315	T	92.8	Very high	94.8	Very high	84 Å²	84	61.2 Å²	61.2	52%	0.515	31%	0.313	S	S	.	.	I	π-helix	trans	-101.2	-21.2	-171.9	58.5	0	0	0	0	113.9	E311 F312 S313	E311-T315 HydrophobicContact CG-CG2 4.19Å; E311-T315 WeakPolarHBondContact O-CB 3.43Å; E311-T315 WeakPolarHBondContact O-CG2 3.46Å; E311-T315 PolarHBondContact O-N 2.91Å; E311-T315 PolarHBondContact O-OG1 2.82Å; F312-T315 PolarHBondContact O-N 2.77Å; S313-T315 PolarHBondContact O-N 3.14Å
316	V	95.9	Very high	94.8	Very high	81 Å²	81	60.1 Å²	60.1	49%	0.491	31%	0.307	S	S	.	.	I	π-helix	trans	-117.7	-51.1	-175.1	-174.9	0	0	0	0	112.2	F312 P319	F312-V316 HydrophobicContact CD2-CB 4.08Å; F312-V316 HydrophobicContact CD2-CG2 3.72Å; F312-V316 HydrophobicContact CE1-CB 4.36Å; F312-V316 HydrophobicContact CE1-CG1 4.42Å; F312-V316 HydrophobicContact CE2-CB 3.87Å; F312-V316 HydrophobicContact CE2-CG1 3.86Å; F312-V316 HydrophobicContact CE2-CG2 3.74Å; F312-V316 HydrophobicContact CG-CB 4.42Å; F312-V316 HydrophobicContact CG-CG2 4.38Å; F312-V316 HydrophobicContact CZ-CB 4.01Å; F312-V316 HydrophobicContact CZ-CG1 3.77Å; F312-V316 HydrophobicContact CZ-CG2 4.4Å; F312-V316 WeakPolarHBondContact O-CA 3.49Å; F312-V316 VanDerWaalsContact O-CB 3.25Å; F312-V316 WeakPolarHBondContact O-CB 3.38Å; F312-V316 PolarHBondContact O-N 3.1Å; V316-P319 WeakPolarHBondContact O-CD 3.4Å
317	L	94.9	Very high	95.1	Very high	68 Å²	68	62.8 Å²	62.8	36%	0.356	32%	0.316	S	S	.	.	I	π-helix	trans	-79.9	-41.2	-176.6	-57.7	-179	0	0	0	112.4	F312 S313 Y320	F312-L317 HydrophobicContact CD1-CD1 4.26Å; F312-L317 HydrophobicContact CD1-CG 4.14Å; F312-L317 HydrophobicContact CE1-CD1 4.12Å; F312-L317 HydrophobicContact CE1-CD2 3.89Å; F312-L317 HydrophobicContact CE1-CG 3.82Å; F312-L317 PolarHBondContact O-N 3.33Å; S313-L317 PolarHBondContact O-N 3.4Å; L317-Y320 WeakPolarHBondContact O-CE1 3.4Å; L317-Y320 PolarHBondContact O-OH 3.34Å
318	Y	97.7	Very high	95.4	Very high	14 Å²	14	60.8 Å²	60.8	6%	0.055	31%	0.311	C	S	.	.	S	Bend	trans	-126.3	40.5	-172	-44.1	-51.4	0	0	0	113.8	L303 S313 R314 Y320 C321 L326 V553 P591 D598	L303-Y318 HydrophobicContact CD2-CE2 4.34Å; S313-Y318 WeakPolarHBondContact O-CB 3.37Å; S313-Y318 WeakPolarHBondContact O-CD2 3.38Å; S313-Y318 PolarHBondContact O-N 3.45Å; R314-Y318 CarbonylContact O-C 3.59Å; Y318-Y320 WeakPolarHBondContact CD1-OH 3.42Å; Y318-Y320 PolarHBondContact O-N 2.73Å; Y318-Y320 VanDerWaalsContact O-N 3.1Å; Y318-C321 PolarHBondContact O-N 3.14Å; Y318-L326 HydrophobicContact CD2-CD1 4.29Å; Y318-L326 HydrophobicContact CD2-CD2 3.79Å; Y318-L326 HydrophobicContact CE2-CD2 4.5Å; Y318-L326 HydrophobicContact CG-CD2 4.23Å; Y318-V553 HydrophobicContact CE1-CG1 3.97Å; Y318-P591 HydrophobicContact CD1-CG 4.48Å; Y318-P591 HydrophobicContact CG-CG 4.43Å; Y318-D598 HydrophobicContact CE1-CB 4.24Å
319	P	97.8	Very high	95.8	Very high	82 Å²	82	64.4 Å²	64.4	53%	0.532	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-16	-176.2	28.9	-36.3	0	0	0	114.1	R314 V316	R314-P319 WeakPolarHBondContact O-CA 3.26Å; V316-P319 WeakPolarHBondContact O-CD 3.4Å
320	Y	97.8	Very high	96.2	Very high	34 Å²	34	59.1 Å²	59.1	13%	0.133	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-21.5	175.7	48.1	-92.1	0	0	0	113.1	L317 Y318 V553 G554 Q588 A589 L590	L317-Y320 WeakPolarHBondContact O-CE1 3.4Å; L317-Y320 PolarHBondContact O-OH 3.34Å; Y318-Y320 WeakPolarHBondContact CD1-OH 3.42Å; Y318-Y320 PolarHBondContact O-N 2.73Å; Y318-Y320 VanDerWaalsContact O-N 3.1Å; Y320-V553 WeakPolarHBondContact OH-CA 3.46Å; Y320-G554 PolarHBondContact OH-N 2.84Å; Y320-Q588 HydrophobicContact CG-CB 4.32Å; Y320-A589 HydrophobicContact CD2-CB 4.11Å; Y320-A589 HydrophobicContact CE1-CB 4.14Å; Y320-A589 VanDerWaalsContact CE2-C 3.48Å; Y320-A589 HydrophobicContact CE2-CB 3.58Å; Y320-L590 PolarHBondContact OH-O 2.79Å
321	C	98.3	Very high	96.5	Very high	9 Å²	9	56.5 Å²	56.5	6%	0.061	29%	0.29	C	S	.	.	S	Bend	trans	-77.9	137.7	-178	-173.3	0	0	0	0	110.1	Y318 P323 L326 P591	Y318-C321 PolarHBondContact O-N 3.14Å; C321-P323 WeakPolarHBondContact O-CD 3.42Å; C321-L326 HydrophobicContact CB-CD1 4.24Å; C321-L326 HydrophobicContact CB-CG 4.18Å; C321-P591 HydrophobicContact CB-CG 4.47Å; C321-P591 WeakPolarHBondContact CB-O 3.4Å; C321-P591 PolarHBondContact SG-O 2.89Å; C321-P591 VanDerWaalsContact SG-O 3.37Å
322	A	97.9	Very high	96.8	Very high	27 Å²	27	49.6 Å²	49.6	22%	0.223	26%	0.258	C	S	.	.			trans	-60.3	129.2	174.7	0	0	0	0	0	109.7	Y324 A325 L326 V593	A322-Y324 VanDerWaalsContact C-N 3.26Å; A322-Y324 HydrophobicContact CB-CD1 3.91Å; A322-Y324 HydrophobicContact CB-CE1 3.57Å; A322-Y324 PolarHBondContact O-N 3.37Å; A322-Y324 VanDerWaalsContact O-N 3.08Å; A322-A325 HydrophobicContact CB-CB 4.29Å; A322-A325 WeakPolarHBondContact O-CA 3.41Å; A322-A325 WeakPolarHBondContact O-CB 3.39Å; A322-A325 PolarHBondContact O-N 2.72Å; A322-L326 PolarHBondContact O-N 3.41Å; A322-V593 HydrophobicContact CB-CG1 3.64Å
323	P	97.4	Very high	97	Very high	81 Å²	81	44 Å²	44	53%	0.526	23%	0.233	S	C	.	.	H	α-helix	trans	-43	-45.5	179.9	-40.3	41.9	0	0	0	115.7	R314 C321 A325 L326	R314-P323 PolarHBondContact NH1-O 2.77Å; R314-P323 VanDerWaalsContact NH1-O 3.14Å; R314-P323 VanDerWaalsContact NH2-CB 3.34Å; C321-P323 WeakPolarHBondContact O-CD 3.42Å; P323-A325 VanDerWaalsContact C-N 3.29Å; P323-A325 PolarHBondContact O-N 2.88Å; P323-L326 PolarHBondContact O-N 3.36Å
324	Y	97.5	Very high	97.3	Very high	121 Å²	121	43.8 Å²	43.8	48%	0.475	23%	0.232	S	C	.	.	H	α-helix	trans	-70.4	-24.7	-179.1	72.1	-95.6	0	0	0	113.3	A322 L326 E327 Y330 V593	A322-Y324 VanDerWaalsContact C-N 3.26Å; A322-Y324 HydrophobicContact CB-CD1 3.91Å; A322-Y324 HydrophobicContact CB-CE1 3.57Å; A322-Y324 PolarHBondContact O-N 3.37Å; A322-Y324 VanDerWaalsContact O-N 3.08Å; Y324-L326 VanDerWaalsContact C-N 3.32Å; Y324-E327 WeakPolarHBondContact O-CB 3.24Å; Y324-E327 PolarHBondContact O-N 3.11Å; Y324-Y330 HydrophobicContact CD2-CD2 4.01Å; Y324-Y330 AromaticContact CD2-CE2 3.98Å; Y324-Y330 HydrophobicContact CD2-CE2 3.98Å; Y324-Y330 HydrophobicContact CD2-CG 4.47Å; Y324-Y330 HydrophobicContact CE2-CD2 4.26Å; Y324-Y330 AromaticContact CE2-CE2 3.74Å; Y324-Y330 HydrophobicContact CE2-CE2 3.74Å; Y324-Y330 AromaticContact CE2-CZ 3.91Å; Y324-Y330 WeakPolarHBondContact O-CB 3.16Å; Y324-V593 HydrophobicContact CE1-CG1 4.33Å; Y324-V593 HydrophobicContact CE2-CG1 4.16Å; Y324-V593 WeakPolarHBondContact OH-CG1 3.48Å
325	A	97.9	Very high	97.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-81.6	-13.3	-179.3	0	0	0	0	0	112.8	A322 P323 Y330 R331 V593	A322-A325 HydrophobicContact CB-CB 4.29Å; A322-A325 WeakPolarHBondContact O-CA 3.41Å; A322-A325 WeakPolarHBondContact O-CB 3.39Å; A322-A325 PolarHBondContact O-N 2.72Å; P323-A325 VanDerWaalsContact C-N 3.29Å; P323-A325 PolarHBondContact O-N 2.88Å; A325-Y330 HydrophobicContact CB-CD1 3.98Å; A325-Y330 HydrophobicContact CB-CE1 3.79Å; A325-R331 WeakPolarHBondContact O-CG 3Å; A325-V593 HydrophobicContact CB-CB 4.43Å; A325-V593 HydrophobicContact CB-CG1 3.94Å
326	L	97.5	Very high	97.9	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-82.9	-21.6	168.6	-81.2	170.7	0	0	0	113.1	R314 Y318 C321 A322 P323 Y324 R331 P591	R314-L326 HydrophobicContact CB-CD1 4.4Å; R314-L326 HydrophobicContact CG-CD1 3.82Å; Y318-L326 HydrophobicContact CD2-CD1 4.29Å; Y318-L326 HydrophobicContact CD2-CD2 3.79Å; Y318-L326 HydrophobicContact CE2-CD2 4.5Å; Y318-L326 HydrophobicContact CG-CD2 4.23Å; C321-L326 HydrophobicContact CB-CD1 4.24Å; C321-L326 HydrophobicContact CB-CG 4.18Å; A322-L326 PolarHBondContact O-N 3.41Å; P323-L326 PolarHBondContact O-N 3.36Å; Y324-L326 VanDerWaalsContact C-N 3.32Å; L326-R331 WeakPolarHBondContact O-CD 3.34Å; L326-R331 PolarHBondContact O-NE 3.43Å; L326-R331 VanDerWaalsContact O-NE 3.13Å; L326-P591 HydrophobicContact CD2-CG 3.43Å; L326-P591 VanDerWaalsContact CD2-CG 3.43Å; L326-P591 HydrophobicContact CG-CG 4.45Å
327	E	98	Very high	98.1	Very high	97 Å²	97	35 Å²	35	45%	0.453	18%	0.182	S	C	.	.	S	Bend	trans	-61.4	137.7	-178.8	-59.3	-62.9	146.3	0	0	111	R314 Y324 D329 Y330 R331	R314-E327 IonicContact CZ-OE1 2.99Å; R314-E327 IonicContact NH1-OE1 2.82Å; R314-E327 PolarHBondContact NH1-OE1 3.33Å; R314-E327 IonicContact NH2-OE1 3.41Å; Y324-E327 WeakPolarHBondContact O-CB 3.24Å; Y324-E327 PolarHBondContact O-N 3.11Å; E327-D329 PolarHBondContact O-N 3.15Å; E327-Y330 WeakPolarHBondContact O-CB 3.42Å; E327-Y330 PolarHBondContact O-N 2.68Å; E327-Y330 VanDerWaalsContact O-N 3.14Å; E327-R331 PolarHBondContact O-N 3.09Å; E327-R331 VanDerWaalsContact O-N 3.09Å
328	L	98.4	Very high	98.3	Very high	41 Å²	41	31.8 Å²	31.8	22%	0.215	17%	0.165	C	C	.	.	H	α-helix	trans	-54.9	-48.5	-173.4	-173.8	56.5	0	0	0	112.7	D305 Y330 R331 Q332 V356	D305-L328 HydrophobicContact CB-CB 4.47Å; D305-L328 HydrophobicContact CB-CD1 3.85Å; D305-L328 HydrophobicContact CB-CD2 3.96Å; D305-L328 HydrophobicContact CB-CG 4.31Å; L328-Y330 PolarHBondContact O-N 3.42Å; L328-R331 PolarHBondContact O-N 2.98Å; L328-Q332 HydrophobicContact CD1-CG 3.71Å; L328-Q332 HydrophobicContact CG-CG 3.95Å; L328-Q332 WeakPolarHBondContact O-CB 3.16Å; L328-Q332 VanDerWaalsContact O-CG 3.25Å; L328-Q332 WeakPolarHBondContact O-CG 3.3Å; L328-Q332 PolarHBondContact O-N 3.3Å; L328-V356 HydrophobicContact CD1-CG2 3.76Å; L328-V356 HydrophobicContact CD2-CG2 4.07Å; L328-V356 HydrophobicContact CG-CG2 4.37Å
329	D	98.1	Very high	98.3	Very high	77 Å²	77	31.2 Å²	31.2	41%	0.412	16%	0.163	S	C	.	.	H	α-helix	trans	-61.2	-32.7	-176.1	-75.2	-32.1	0	0	0	112.7	Y172 E327 N333	Y172-D329 HydrophobicContact CG-CB 4.37Å; E327-D329 PolarHBondContact O-N 3.15Å; D329-N333 PolarHBondContact O-N 2.82Å; D329-N333 PolarHBondContact O-ND2 3.28Å; D329-N333 VanDerWaalsContact O-ND2 3.1Å
330	Y	98.6	Very high	98.4	Very high	7 Å²	7	27.6 Å²	27.6	3%	0.027	14%	0.14	C	C	.	.	H	α-helix	trans	-71.1	-53	174.5	-175.4	-89	0	0	0	111	Y172 M174 Y324 A325 E327 L328 Q332 N333 L334 V593	Y172-Y330 AromaticContact CE1-CD2 3.89Å; Y172-Y330 HydrophobicContact CE1-CD2 3.89Å; M174-Y330 HydrophobicContact CE-CD2 4.28Å; M174-Y330 HydrophobicContact CE-CE2 4.22Å; M174-Y330 HydrophobicContact SD-CD2 4.18Å; M174-Y330 HydrophobicContact SD-CE2 3.81Å; Y324-Y330 HydrophobicContact CD2-CD2 4.01Å; Y324-Y330 AromaticContact CD2-CE2 3.98Å; Y324-Y330 HydrophobicContact CD2-CE2 3.98Å; Y324-Y330 HydrophobicContact CD2-CG 4.47Å; Y324-Y330 HydrophobicContact CE2-CD2 4.26Å; Y324-Y330 AromaticContact CE2-CE2 3.74Å; Y324-Y330 HydrophobicContact CE2-CE2 3.74Å; Y324-Y330 AromaticContact CE2-CZ 3.91Å; Y324-Y330 WeakPolarHBondContact O-CB 3.16Å; A325-Y330 HydrophobicContact CB-CD1 3.98Å; A325-Y330 HydrophobicContact CB-CE1 3.79Å; E327-Y330 WeakPolarHBondContact O-CB 3.42Å; E327-Y330 PolarHBondContact O-N 2.68Å; E327-Y330 VanDerWaalsContact O-N 3.14Å; L328-Y330 PolarHBondContact O-N 3.42Å; Y330-Q332 VanDerWaalsContact C-N 3.28Å; Y330-Q332 PolarHBondContact O-N 3.17Å; Y330-N333 WeakPolarHBondContact O-CB 3.21Å; Y330-N333 PolarHBondContact O-N 3.34Å; Y330-N333 VanDerWaalsContact O-N 3.16Å; Y330-L334 HydrophobicContact CD1-CD1 4.17Å; Y330-L334 HydrophobicContact CE1-CD1 3.78Å; Y330-L334 HydrophobicContact CE1-CD2 3.87Å; Y330-L334 HydrophobicContact CE1-CG 4.49Å; Y330-L334 HydrophobicContact CE2-CD1 4.49Å; Y330-L334 PolarHBondContact O-N 3.22Å; Y330-V593 PolarHBondContact OH-O 3.15Å
331	R	98.8	Very high	98.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.9	-41.9	179.5	-64.1	-171.3	-51.2	106.8	-5.7	111.2	I302 L303 A325 L326 E327 L328 N333 L334 I335 P596	I302-R331 PolarHBondContact O-NH1 3.04Å; L303-R331 VanDerWaalsContact O-CZ 3.27Å; L303-R331 PolarHBondContact O-NH1 3.15Å; L303-R331 PolarHBondContact O-NH2 3.32Å; A325-R331 WeakPolarHBondContact O-CG 3Å; L326-R331 WeakPolarHBondContact O-CD 3.34Å; L326-R331 PolarHBondContact O-NE 3.43Å; L326-R331 VanDerWaalsContact O-NE 3.13Å; E327-R331 PolarHBondContact O-N 3.09Å; E327-R331 VanDerWaalsContact O-N 3.09Å; L328-R331 PolarHBondContact O-N 2.98Å; R331-N333 PolarHBondContact O-N 2.61Å; R331-L334 PolarHBondContact O-N 3.02Å; R331-L334 VanDerWaalsContact O-N 3.13Å; R331-I335 HydrophobicContact CB-CD1 4.32Å; R331-I335 VanDerWaalsContact O-CG1 3.31Å; R331-I335 WeakPolarHBondContact O-CG1 3.19Å; R331-I335 PolarHBondContact O-N 2.89Å; R331-P596 HydrophobicContact CB-CB 4.09Å; R331-P596 VanDerWaalsContact CD-O 3.32Å; R331-P596 WeakPolarHBondContact CD-O 3.44Å; R331-P596 HydrophobicContact CG-CB 4.45Å; R331-P596 PolarHBondContact NH1-O 3.24Å
332	Q	98.6	Very high	98.5	Very high	10 Å²	10	26.4 Å²	26.4	5%	0.047	14%	0.139	C	C	.	.	H	α-helix	trans	-63.2	-37.5	178.6	-71.4	-48	114.2	0	0	112.8	L328 Y330 L334 I335 Q336 V356 S360	L328-Q332 HydrophobicContact CD1-CG 3.71Å; L328-Q332 HydrophobicContact CG-CG 3.95Å; L328-Q332 WeakPolarHBondContact O-CB 3.16Å; L328-Q332 VanDerWaalsContact O-CG 3.25Å; L328-Q332 WeakPolarHBondContact O-CG 3.3Å; L328-Q332 PolarHBondContact O-N 3.3Å; Y330-Q332 VanDerWaalsContact C-N 3.28Å; Y330-Q332 PolarHBondContact O-N 3.17Å; Q332-L334 VanDerWaalsContact C-N 3.33Å; Q332-L334 PolarHBondContact O-N 3.02Å; Q332-I335 PolarHBondContact O-N 3.02Å; Q332-Q336 VanDerWaalsContact O-CB 3.32Å; Q332-Q336 WeakPolarHBondContact O-CB 3.25Å; Q332-Q336 WeakPolarHBondContact O-CG 3.36Å; Q332-Q336 PolarHBondContact O-N 3.13Å; Q332-V356 HydrophobicContact CG-CG2 4.42Å; Q332-V356 VanDerWaalsContact NE2-CG1 3.31Å; Q332-S360 PolarHBondContact NE2-OG 3.48Å
333	N	98.6	Very high	98.5	Very high	7 Å²	7	26.7 Å²	26.7	4%	0.037	14%	0.137	C	C	.	.	H	α-helix	trans	-59.9	-45.6	172.9	-98.3	-101.2	0	0	0	111.3	Y172 M174 F177 D329 Y330 R331 Q336 K337	Y172-N333 PolarHBondContact O-ND2 3.01Å; M174-N333 HydrophobicContact CE-CB 3.32Å; F177-N333 HydrophobicContact CD1-CB 4.29Å; F177-N333 WeakPolarHBondContact CD1-O 3.37Å; D329-N333 PolarHBondContact O-N 2.82Å; D329-N333 PolarHBondContact O-ND2 3.28Å; D329-N333 VanDerWaalsContact O-ND2 3.1Å; Y330-N333 WeakPolarHBondContact O-CB 3.21Å; Y330-N333 PolarHBondContact O-N 3.34Å; Y330-N333 VanDerWaalsContact O-N 3.16Å; R331-N333 PolarHBondContact O-N 2.61Å; N333-Q336 PolarHBondContact O-N 3.48Å; N333-K337 PolarHBondContact O-N 3.3Å; N333-K337 VanDerWaalsContact O-N 3.07Å
334	L	98.9	Very high	98.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.6	-46.7	177.8	-89.1	65.2	0	0	0	111.6	M174 F177 P274 F279 Y330 R331 Q332 Q336 K337 E338 P596	M174-L334 HydrophobicContact CE-CD1 3.64Å; F177-L334 HydrophobicContact CD1-CD1 4.33Å; F177-L334 HydrophobicContact CE1-CB 4.44Å; F177-L334 HydrophobicContact CE1-CD1 3.56Å; F177-L334 HydrophobicContact CE1-CG 3.83Å; F177-L334 HydrophobicContact CZ-CD1 3.96Å; F177-L334 HydrophobicContact CZ-CG 4.33Å; P274-L334 HydrophobicContact CG-CD1 4.32Å; F279-L334 HydrophobicContact CE1-CB 4.16Å; F279-L334 HydrophobicContact CE1-CG 4.29Å; F279-L334 HydrophobicContact CZ-CB 4.38Å; F279-L334 HydrophobicContact CZ-CG 4.31Å; Y330-L334 HydrophobicContact CD1-CD1 4.17Å; Y330-L334 HydrophobicContact CE1-CD1 3.78Å; Y330-L334 HydrophobicContact CE1-CD2 3.87Å; Y330-L334 HydrophobicContact CE1-CG 4.49Å; Y330-L334 HydrophobicContact CE2-CD1 4.49Å; Y330-L334 PolarHBondContact O-N 3.22Å; R331-L334 PolarHBondContact O-N 3.02Å; R331-L334 VanDerWaalsContact O-N 3.13Å; Q332-L334 VanDerWaalsContact C-N 3.33Å; Q332-L334 PolarHBondContact O-N 3.02Å; L334-Q336 VanDerWaalsContact C-N 3.33Å; L334-Q336 PolarHBondContact O-N 2.87Å; L334-K337 PolarHBondContact O-N 2.87Å; L334-E338 VanDerWaalsContact O-CB 3.22Å; L334-E338 WeakPolarHBondContact O-CB 3.36Å; L334-E338 PolarHBondContact O-N 3.37Å; L334-P596 HydrophobicContact CB-CB 3.65Å; L334-P596 HydrophobicContact CB-CG 3.87Å; L334-P596 HydrophobicContact CD2-CB 4.2Å
335	I	98.9	Very high	98.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.3	-42.5	177.7	-69.7	159.4	0	0	0	110.8	I302 R331 Q332 E338 L339 L361 P596	I302-I335 HydrophobicContact CB-CD1 4.07Å; I302-I335 HydrophobicContact CG2-CG2 4.42Å; R331-I335 HydrophobicContact CB-CD1 4.32Å; R331-I335 VanDerWaalsContact O-CG1 3.31Å; R331-I335 WeakPolarHBondContact O-CG1 3.19Å; R331-I335 PolarHBondContact O-N 2.89Å; Q332-I335 PolarHBondContact O-N 3.02Å; I335-E338 PolarHBondContact O-N 2.7Å; I335-L339 HydrophobicContact CG2-CD1 3.7Å; I335-L339 HydrophobicContact CG2-CG 4.15Å; I335-L339 WeakPolarHBondContact O-CB 3.37Å; I335-L339 WeakPolarHBondContact O-CG 3.32Å; I335-L339 PolarHBondContact O-N 2.8Å; I335-L361 HydrophobicContact CG2-CD2 3.96Å; I335-P596 HydrophobicContact CD1-CB 4.21Å; I335-P596 HydrophobicContact CG1-CB 3.75Å; I335-P596 HydrophobicContact CG1-CG 3.63Å
336	Q	98.9	Very high	98.7	Very high	13 Å²	13	17.1 Å²	17.1	6%	0.061	9%	0.09	C	C	.	.	H	α-helix	trans	-61	-49.2	176.8	-74	174.2	18	0	0	111.2	Q332 N333 L334 T340 S360 A364	Q332-Q336 VanDerWaalsContact O-CB 3.32Å; Q332-Q336 WeakPolarHBondContact O-CB 3.25Å; Q332-Q336 WeakPolarHBondContact O-CG 3.36Å; Q332-Q336 PolarHBondContact O-N 3.13Å; N333-Q336 PolarHBondContact O-N 3.48Å; L334-Q336 VanDerWaalsContact C-N 3.33Å; L334-Q336 PolarHBondContact O-N 2.87Å; Q336-T340 WeakPolarHBondContact O-CB 3.43Å; Q336-T340 VanDerWaalsContact O-CG2 3.26Å; Q336-T340 WeakPolarHBondContact O-CG2 3.38Å; Q336-T340 PolarHBondContact O-N 3.32Å; Q336-T340 PolarHBondContact O-OG1 3.29Å; Q336-S360 PolarHBondContact NE2-OG 2.9Å; Q336-A364 HydrophobicContact CB-CB 4.18Å; Q336-A364 HydrophobicContact CG-CB 3.71Å
337	K	98.9	Very high	98.8	Very high	43 Å²	43	17 Å²	17	19%	0.187	9%	0.089	C	C	.	.	H	α-helix	trans	-62.2	-44.9	177	-173.9	178.5	173.7	-177.6	0	111.3	G176 F177 P178 F279 D280 H283 N333 L334 T340 G341	G176-K337 WeakPolarHBondContact O-CD 3.47Å; G176-K337 VanDerWaalsContact O-CE 3.24Å; G176-K337 WeakPolarHBondContact O-CE 3.23Å; G176-K337 PolarHBondContact O-NZ 2.84Å; G176-K337 VanDerWaalsContact O-NZ 3.08Å; F177-K337 HydrophobicContact CD1-CB 3.7Å; F177-K337 HydrophobicContact CD1-CD 3.48Å; F177-K337 VanDerWaalsContact CD1-CD 3.48Å; F177-K337 HydrophobicContact CD1-CG 4.21Å; F177-K337 HydrophobicContact CD2-CD 4.36Å; F177-K337 HydrophobicContact CE1-CB 4.02Å; F177-K337 HydrophobicContact CE1-CD 3.44Å; F177-K337 VanDerWaalsContact CE1-CD 3.44Å; F177-K337 HydrophobicContact CE1-CG 4.37Å; F177-K337 HydrophobicContact CE2-CD 4.31Å; F177-K337 HydrophobicContact CG-CD 3.96Å; F177-K337 HydrophobicContact CZ-CD 3.87Å; P178-K337 HydrophobicContact CG-CB 4.4Å; F279-K337 HydrophobicContact CE2-CB 4.28Å; F279-K337 HydrophobicContact CE2-CD 3.84Å; F279-K337 HydrophobicContact CE2-CG 3.91Å; F279-K337 HydrophobicContact CZ-CB 4.32Å; F279-K337 HydrophobicContact CZ-CD 4.26Å; F279-K337 HydrophobicContact CZ-CG 4.41Å; D280-K337 IonicContact OD1-NZ 3.86Å; H283-K337 PolarHBondContact CE1-O 3.4Å; N333-K337 PolarHBondContact O-N 3.3Å; N333-K337 VanDerWaalsContact O-N 3.07Å; L334-K337 PolarHBondContact O-N 2.87Å; K337-T340 PolarHBondContact O-OG1 2.72Å; K337-G341 PolarHBondContact O-N 2.94Å
338	E	98.9	Very high	98.8	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-57.4	-57	179.5	-179.8	164.2	-162.6	0	0	111.4	F279 H283 Y300 L334 I335 G341 Y342	F279-E338 HydrophobicContact CB-CB 4.34Å; F279-E338 HydrophobicContact CB-CG 3.8Å; F279-E338 HydrophobicContact CD1-CB 3.54Å; F279-E338 HydrophobicContact CD1-CG 3.7Å; F279-E338 HydrophobicContact CD2-CB 4.28Å; F279-E338 HydrophobicContact CE1-CB 3.79Å; F279-E338 HydrophobicContact CE1-CG 4.43Å; F279-E338 HydrophobicContact CG-CB 3.8Å; F279-E338 HydrophobicContact CG-CG 3.81Å; F279-E338 HydrophobicContact CZ-CB 4.27Å; H283-E338 PolarHBondContact NE2-O 3.14Å; Y300-E338 VanDerWaalsContact CE1-OE2 3.32Å; Y300-E338 WeakPolarHBondContact CE1-OE2 3.4Å; Y300-E338 PolarHBondContact OH-OE2 3Å; L334-E338 VanDerWaalsContact O-CB 3.22Å; L334-E338 WeakPolarHBondContact O-CB 3.36Å; L334-E338 PolarHBondContact O-N 3.37Å; I335-E338 PolarHBondContact O-N 2.7Å; E338-G341 PolarHBondContact O-N 2.88Å; E338-Y342 HydrophobicContact CG-CD2 4.24Å; E338-Y342 HydrophobicContact CG-CE2 3.35Å; E338-Y342 WeakPolarHBondContact CG-OH 3.28Å; E338-Y342 VanDerWaalsContact O-CD2 3.24Å; E338-Y342 WeakPolarHBondContact O-CD2 3.24Å; E338-Y342 PolarHBondContact O-N 2.83Å; E338-Y342 PolarHBondContact OE1-OH 2.79Å
339	L	98.9	Very high	98.8	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-69.1	-41.7	-174.7	-66.2	179.4	0	0	0	112.8	V298 Y300 I335 Y342 I347 L349 L361 L365	V298-L339 HydrophobicContact CG1-CD2 4.22Å; Y300-L339 HydrophobicContact CD1-CD2 4.14Å; I335-L339 HydrophobicContact CG2-CD1 3.7Å; I335-L339 HydrophobicContact CG2-CG 4.15Å; I335-L339 WeakPolarHBondContact O-CB 3.37Å; I335-L339 WeakPolarHBondContact O-CG 3.32Å; I335-L339 PolarHBondContact O-N 2.8Å; L339-Y342 HydrophobicContact CD2-CD2 4.39Å; L339-Y342 PolarHBondContact O-N 3.4Å; L339-I347 HydrophobicContact CB-CD1 4.5Å; L339-I347 HydrophobicContact CD2-CG2 4.13Å; L339-L349 HydrophobicContact CD1-CD1 3.99Å; L339-L349 HydrophobicContact CD1-CD2 4.23Å; L339-L349 HydrophobicContact CD2-CD2 4.3Å; L339-L361 HydrophobicContact CD1-CD2 3.96Å; L339-L365 HydrophobicContact CB-CD2 3.98Å; L339-L365 HydrophobicContact CD1-CD1 4.5Å
340	T	98.8	Very high	98.9	Very high	7 Å²	7	6.7 Å²	6.7	4%	0.043	4%	0.037	C	C	.	.	H	α-helix	trans	-68.4	-36.5	178.8	57.5	0	0	0	0	111.6	Q336 K337 Y342 N343 A364 L365 F368	Q336-T340 WeakPolarHBondContact O-CB 3.43Å; Q336-T340 VanDerWaalsContact O-CG2 3.26Å; Q336-T340 WeakPolarHBondContact O-CG2 3.38Å; Q336-T340 PolarHBondContact O-N 3.32Å; Q336-T340 PolarHBondContact O-OG1 3.29Å; K337-T340 PolarHBondContact O-OG1 2.72Å; T340-Y342 VanDerWaalsContact C-N 3.28Å; T340-Y342 PolarHBondContact O-N 2.84Å; T340-N343 PolarHBondContact O-N 3.11Å; T340-N343 VanDerWaalsContact O-N 3.12Å; T340-A364 HydrophobicContact CG2-CB 4.36Å; T340-L365 HydrophobicContact CG2-CD2 4.07Å; T340-F368 HydrophobicContact CG2-CB 4.35Å; T340-F368 HydrophobicContact CG2-CD1 4.34Å; T340-F368 HydrophobicContact CG2-CD2 3.42Å; T340-F368 VanDerWaalsContact CG2-CD2 3.42Å; T340-F368 HydrophobicContact CG2-CE2 3.65Å; T340-F368 HydrophobicContact CG2-CG 3.79Å; T340-F368 HydrophobicContact CG2-CZ 4.21Å
341	G	98.8	Very high	98.9	Very high	18 Å²	18	7.3 Å²	7.3	19%	0.186	4%	0.04	C	C	.	.	H	α-helix	trans	-68.6	-21.2	175.5	0	0	0	0	0	114.5	T286 K337 E338 N343	T286-G341 PolarHBondContact OG1-O 3.45Å; K337-G341 PolarHBondContact O-N 2.94Å; E338-G341 PolarHBondContact O-N 2.88Å; G341-N343 PolarHBondContact O-N 3.45Å; G341-N343 PolarHBondContact O-ND2 2.77Å
342	Y	98.9	Very high	98.9	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-18	170.9	-67.5	-40.5	0	0	0	113.3	R282 H283 T286 R296 V298 E338 L339 T340 A344 A601 V603	R282-Y342 HydrophobicContact CB-CE1 3.99Å; R282-Y342 PolarHBondContact NH1-OH 2.85Å; H283-Y342 AromaticContact CD2-CD1 3.64Å; H283-Y342 AromaticContact CD2-CE1 3.7Å; H283-Y342 AromaticContact NE2-CD1 3.92Å; H283-Y342 AromaticContact NE2-CE1 3.92Å; T286-Y342 VanDerWaalsContact CB-O 3.3Å; T286-Y342 WeakPolarHBondContact CB-O 3.48Å; T286-Y342 HydrophobicContact CG2-CD1 4.08Å; T286-Y342 WeakPolarHBondContact OG1-CA 3.28Å; R296-Y342 WeakPolarHBondContact CD-O 3.48Å; R296-Y342 PolarHBondContact NH1-O 3.42Å; V298-Y342 HydrophobicContact CG2-CD2 4.28Å; E338-Y342 HydrophobicContact CG-CD2 4.24Å; E338-Y342 HydrophobicContact CG-CE2 3.35Å; E338-Y342 WeakPolarHBondContact CG-OH 3.28Å; E338-Y342 VanDerWaalsContact O-CD2 3.24Å; E338-Y342 WeakPolarHBondContact O-CD2 3.24Å; E338-Y342 PolarHBondContact O-N 2.83Å; E338-Y342 PolarHBondContact OE1-OH 2.79Å; L339-Y342 HydrophobicContact CD2-CD2 4.39Å; L339-Y342 PolarHBondContact O-N 3.4Å; T340-Y342 VanDerWaalsContact C-N 3.28Å; T340-Y342 PolarHBondContact O-N 2.84Å; Y342-A344 PolarHBondContact O-N 3Å; Y342-A344 VanDerWaalsContact O-N 3.07Å; Y342-A601 HydrophobicContact CE2-CB 3.99Å; Y342-V603 HydrophobicContact CD1-CG1 4.48Å; Y342-V603 HydrophobicContact CD1-CG2 4.13Å; Y342-V603 HydrophobicContact CD2-CG2 3.94Å; Y342-V603 HydrophobicContact CE1-CG2 4.01Å; Y342-V603 HydrophobicContact CE2-CG2 3.81Å; Y342-V603 HydrophobicContact CG-CG2 4.13Å
343	N	98.9	Very high	98.9	Very high	33 Å²	33	7.8 Å²	7.8	18%	0.176	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	39.6	-178.7	-68.6	-70.1	0	0	0	112.4	T286 V289 T340 G341	T286-N343 PolarHBondContact O-ND2 3.18Å; V289-N343 HydrophobicContact CG2-CB 4.18Å; T340-N343 PolarHBondContact O-N 3.11Å; T340-N343 VanDerWaalsContact O-N 3.12Å; G341-N343 PolarHBondContact O-N 3.45Å; G341-N343 PolarHBondContact O-ND2 2.77Å
344	A	98.9	Very high	98.8	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.008	7%	0.067	C	C	.	.			trans	-73.6	165.4	-171.8	0	0	0	0	0	112.9	R296 V298 Y342 I347 R387	R296-A344 HydrophobicContact CG-CB 4Å; V298-A344 HydrophobicContact CG2-CB 3.63Å; Y342-A344 PolarHBondContact O-N 3Å; Y342-A344 VanDerWaalsContact O-N 3.07Å; A344-I347 HydrophobicContact CB-CD1 4.02Å; A344-I347 HydrophobicContact CB-CG1 3.67Å; A344-R387 VanDerWaalsContact O-CZ 3.31Å; A344-R387 PolarHBondContact O-NE 3.25Å; A344-R387 PolarHBondContact O-NH2 2.84Å
345	D	98.9	Very high	98.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-105.5	-35	177.6	-58.2	-42.1	0	0	0	112.1	T290 I295 R296 Y386 R387 K390 F391	T290-D345 PolarHBondContact OG1-OD2 2.95Å; I295-D345 WeakPolarHBondContact CA-OD2 3.41Å; I295-D345 HydrophobicContact CG2-CB 4.15Å; R296-D345 PolarHBondContact N-OD2 2.89Å; R296-D345 PolarHBondContact O-N 2.87Å; D345-Y386 CarbonylContact O-C 3.52Å; D345-Y386 VanDerWaalsContact O-CA 3.27Å; D345-Y386 WeakPolarHBondContact O-CA 3.47Å; D345-R387 HydrophobicContact CB-CB 4.48Å; D345-R387 PolarHBondContact O-N 2.95Å; D345-R387 WeakPolarHBondContact OD1-CD 3.44Å; D345-R387 IonicContact OD1-NE 3.64Å; D345-R387 PolarHBondContact OD1-NE 3.3Å; D345-K390 HydrophobicContact CB-CD 4.43Å; D345-K390 VanDerWaalsContact OD1-CD 3.24Å; D345-K390 WeakPolarHBondContact OD1-CD 3.4Å; D345-K390 IonicContact OD1-NZ 2.64Å; D345-K390 IonicContact OD2-NZ 3.61Å; D345-K390 PolarHBondContact OD2-NZ 3.08Å; D345-F391 HydrophobicContact CB-CE2 4.23Å
346	V	98.9	Very high	98.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	129.2	173.9	176.8	0	0	0	0	108.2	I295 R296 T297 V298 F385 F391 L440 V452	I295-V346 HydrophobicContact CG2-CB 4.46Å; I295-V346 HydrophobicContact CG2-CG2 3.89Å; R296-V346 PolarHBondContact O-N 3.01Å; T297-V346 CarbonylContact C-O 3.53Å; T297-V346 VanDerWaalsContact CA-O 3.31Å; T297-V346 WeakPolarHBondContact CA-O 3.44Å; T297-V346 HydrophobicContact CG2-CG1 4.49Å; V298-V346 PolarHBondContact N-O 3.46Å; V346-F385 CarbonylContact C-O 3.57Å; V346-F385 WeakPolarHBondContact CA-O 3.34Å; V346-F391 HydrophobicContact CG2-CE2 4.36Å; V346-L440 HydrophobicContact CG2-CD1 4.13Å; V346-V452 HydrophobicContact CG1-CG1 3.73Å; V346-V452 HydrophobicContact CG1-CG2 4.18Å
347	I	99	Very high	98.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	117.8	177.3	-53.7	178.6	0	0	0	108.1	V298 L339 A344 L349 L365 L370 T384 F385	V298-I347 HydrophobicContact CB-CB 4.28Å; V298-I347 HydrophobicContact CB-CG1 4.15Å; V298-I347 HydrophobicContact CB-CG2 4.01Å; V298-I347 HydrophobicContact CG1-CG2 4.11Å; V298-I347 HydrophobicContact CG2-CG1 4.21Å; L339-I347 HydrophobicContact CB-CD1 4.5Å; L339-I347 HydrophobicContact CD2-CG2 4.13Å; A344-I347 HydrophobicContact CB-CD1 4.02Å; A344-I347 HydrophobicContact CB-CG1 3.67Å; I347-L349 HydrophobicContact CG2-CD1 4.28Å; I347-L349 HydrophobicContact CG2-CD2 3.56Å; I347-L349 HydrophobicContact CG2-CG 3.8Å; I347-L365 HydrophobicContact CD1-CD1 4.33Å; I347-L365 HydrophobicContact CD1-CD2 4.04Å; I347-L370 HydrophobicContact CD1-CD2 3.78Å; I347-L370 HydrophobicContact CG1-CD2 4.06Å; I347-T384 CarbonylContact O-C 3.52Å; I347-T384 VanDerWaalsContact O-CA 3.31Å; I347-T384 WeakPolarHBondContact O-CA 3.37Å; I347-F385 HydrophobicContact CB-CB 4.24Å; I347-F385 PolarHBondContact N-O 3.36Å; I347-F385 PolarHBondContact O-N 2.63Å
348	C	99	Very high	98.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	123.3	174.7	-67.6	0	0	0	0	109.3	V298 S299 Y300 A383 V452 N454 C494	V298-C348 PolarHBondContact O-N 2.72Å; S299-C348 CarbonylContact C-O 3.57Å; S299-C348 VanDerWaalsContact CA-O 3.29Å; S299-C348 WeakPolarHBondContact CA-O 3.49Å; Y300-C348 PolarHBondContact N-O 3.31Å; C348-A383 CarbonylContact C-O 3.53Å; C348-A383 WeakPolarHBondContact CA-O 3.46Å; C348-V452 VanDerWaalsContact SG-CG1 3.56Å; C348-N454 HydrophobicContact CB-CB 3.99Å; C348-C494 HydrophobicContact CB-CB 3.38Å
349	L	98.9	Very high	98.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.2	-175.7	-55.7	176.7	0	0	0	111	Y300 I302 L339 I347 V352 L361 L382 A383 F385 N454	Y300-L349 VanDerWaalsContact O-CA 3.27Å; Y300-L349 WeakPolarHBondContact O-CA 3.3Å; I302-L349 HydrophobicContact CG2-CD2 4.05Å; L339-L349 HydrophobicContact CD1-CD1 3.99Å; L339-L349 HydrophobicContact CD1-CD2 4.23Å; L339-L349 HydrophobicContact CD2-CD2 4.3Å; I347-L349 HydrophobicContact CG2-CD1 4.28Å; I347-L349 HydrophobicContact CG2-CD2 3.56Å; I347-L349 HydrophobicContact CG2-CG 3.8Å; L349-V352 HydrophobicContact CB-CG2 3.54Å; L349-V352 HydrophobicContact CD1-CG2 4.44Å; L349-L361 HydrophobicContact CD1-CD1 3.67Å; L349-L361 HydrophobicContact CD1-CD2 4.26Å; L349-L382 WeakPolarHBondContact O-CA 3.29Å; L349-A383 HydrophobicContact CB-CB 4.37Å; L349-A383 PolarHBondContact N-O 3.06Å; L349-A383 PolarHBondContact O-N 3.12Å; L349-F385 HydrophobicContact CD1-CD2 4.39Å; L349-F385 HydrophobicContact CD1-CE2 4.21Å; L349-N454 PolarHBondContact N-ND2 3.12Å; L349-N454 PolarHBondContact O-ND2 2.95Å
350	Q	98.9	Very high	98.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	161.5	172.2	-52.8	77.5	39.9	0	0	109.4	Y300 N301 I302 V352 L382 N454 T455 H456 D496	Y300-Q350 PolarHBondContact O-N 3.15Å; Y300-Q350 VanDerWaalsContact O-N 3.09Å; Y300-Q350 PolarHBondContact O-OE1 2.77Å; N301-Q350 HydrophobicContact CB-CB 4.16Å; I302-Q350 WeakPolarHBondContact CG1-O 3.32Å; I302-Q350 PolarHBondContact N-O 3Å; I302-Q350 VanDerWaalsContact N-O 3.13Å; Q350-V352 VanDerWaalsContact C-N 3.3Å; Q350-V352 PolarHBondContact O-N 2.7Å; Q350-L382 HydrophobicContact CB-CD2 4.17Å; Q350-L382 HydrophobicContact CG-CD2 3.91Å; Q350-N454 PolarHBondContact NE2-OD1 3.25Å; Q350-T455 VanDerWaalsContact CG-O 3.28Å; Q350-T455 WeakPolarHBondContact CG-O 3.39Å; Q350-H456 HydrophobicContact CB-CB 4.15Å; Q350-H456 HydrophobicContact CG-CB 4.07Å; Q350-D496 HydrophobicContact CG-CB 4.15Å
351	E	98.6	Very high	98.5	Very high	19 Å²	19	21.3 Å²	21.3	9%	0.089	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.6	40.5	-178.1	-64.4	-162.9	-156.5	0	0	114.2	N301 L303 A304 Y307 E380 G381 H456	N301-E351 PolarHBondContact ND2-OE1 3.29Å; N301-E351 VanDerWaalsContact OD1-CB 3.26Å; N301-E351 WeakPolarHBondContact OD1-CB 3.48Å; N301-E351 VanDerWaalsContact OD1-CG 3.24Å; N301-E351 WeakPolarHBondContact OD1-CG 3.5Å; N301-E351 PolarHBondContact OD1-OE1 3.3Å; L303-E351 WeakPolarHBondContact CA-OE2 3.31Å; A304-E351 WeakPolarHBondContact CA-O 3.28Å; A304-E351 HydrophobicContact CB-CB 3.86Å; A304-E351 WeakPolarHBondContact CB-O 3.26Å; A304-E351 PolarHBondContact N-OE2 3.3Å; Y307-E351 WeakPolarHBondContact CD2-OE2 3.29Å; Y307-E351 HydrophobicContact CE2-CG 4.44Å; E351-E380 WeakPolarHBondContact CA-OE2 3.38Å; E351-G381 PolarHBondContact N-O 3.09Å; E351-H456 IonicContact OE1-CE1 2.77Å; E351-H456 PolarHBondContact OE1-CE1 2.87Å
352	V	98.8	Very high	98.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	109.4	177.9	-174.6	0	0	0	0	109.6	I302 L349 Q350 V356 F357 L361 F374 E380 G381 A383	I302-V352 HydrophobicContact CD1-CB 4.49Å; I302-V352 HydrophobicContact CD1-CG2 3.92Å; I302-V352 HydrophobicContact CG1-CG2 4.25Å; L349-V352 HydrophobicContact CB-CG2 3.54Å; L349-V352 HydrophobicContact CD1-CG2 4.44Å; Q350-V352 VanDerWaalsContact C-N 3.3Å; Q350-V352 PolarHBondContact O-N 2.7Å; V352-V356 HydrophobicContact CG1-CG1 4.22Å; V352-F357 HydrophobicContact CG1-CB 3.79Å; V352-F357 HydrophobicContact CG1-CD2 4.48Å; V352-L361 HydrophobicContact CG1-CD1 3.64Å; V352-L361 HydrophobicContact CG2-CD1 4.33Å; V352-F374 HydrophobicContact CB-CD2 4.49Å; V352-F374 HydrophobicContact CB-CE2 4.01Å; V352-F374 HydrophobicContact CG1-CD2 4.33Å; V352-F374 HydrophobicContact CG1-CE2 4.08Å; V352-F374 VanDerWaalsContact O-CE2 3.28Å; V352-F374 WeakPolarHBondContact O-CE2 3.26Å; V352-E380 CarbonylContact O-C 3.56Å; V352-E380 WeakPolarHBondContact O-CA 3.41Å; V352-G381 PolarHBondContact N-O 2.94Å; V352-G381 PolarHBondContact O-N 3.15Å; V352-A383 HydrophobicContact CG1-CB 4.43Å; V352-A383 HydrophobicContact CG2-CB 4.03Å
353	D	98.5	Very high	98.4	Very high	21 Å²	21	22.8 Å²	22.8	11%	0.112	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	149.4	168.5	-58.6	-82.8	0	0	0	110.8	A304 D305 T306 A355 V356 F357	A304-D353 WeakPolarHBondContact CA-OD2 3.44Å; D305-D353 PolarHBondContact N-OD2 2.88Å; T306-D353 PolarHBondContact N-OD1 2.98Å; D353-A355 VanDerWaalsContact C-N 3.3Å; D353-A355 PolarHBondContact O-N 2.91Å; D353-V356 HydrophobicContact CB-CB 4.05Å; D353-V356 HydrophobicContact CB-CG2 3.89Å; D353-V356 WeakPolarHBondContact O-CB 3.14Å; D353-V356 PolarHBondContact O-N 3.13Å; D353-V356 VanDerWaalsContact O-N 3.1Å; D353-F357 PolarHBondContact O-N 2.92Å
354	R	97.5	Very high	98.4	Very high	144 Å²	144	21.2 Å²	21.2	54%	0.543	11%	0.114	S	C	.	.	H	α-helix	trans	-55.7	-44	179.6	-179.1	-179.2	-65	-80.5	1.5	112.7	F357 S358 F374 I376	R354-F357 PolarHBondContact O-N 2.87Å; R354-S358 PolarHBondContact O-N 3.3Å; R354-S358 VanDerWaalsContact O-N 3.16Å; R354-S358 PolarHBondContact O-OG 3.02Å; R354-F374 HydrophobicContact CB-CE1 4.33Å; R354-I376 VanDerWaalsContact NH2-CD1 3.25Å
355	A	97.1	Very high	98.4	Very high	53 Å²	53	21.2 Å²	21.2	44%	0.438	11%	0.114	S	C	.	.	H	α-helix	trans	-69.8	-37.6	178.9	0	0	0	0	0	111.7	D353 F357 S358 D359	D353-A355 VanDerWaalsContact C-N 3.3Å; D353-A355 PolarHBondContact O-N 2.91Å; A355-F357 VanDerWaalsContact C-N 3.3Å; A355-F357 PolarHBondContact O-N 3.12Å; A355-S358 PolarHBondContact O-N 3.47Å; A355-S358 PolarHBondContact O-OG 3.05Å; A355-D359 WeakPolarHBondContact O-CA 3.42Å; A355-D359 VanDerWaalsContact O-CB 3.24Å; A355-D359 WeakPolarHBondContact O-CB 3.26Å; A355-D359 PolarHBondContact O-N 2.97Å
356	V	98.4	Very high	98.4	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.024	13%	0.127	C	C	.	.	I	π-helix	trans	-58.6	-44.3	173.5	166	0	0	0	0	110.8	I302 L328 Q332 V352 D353 S360 L361	I302-V356 HydrophobicContact CD1-CG1 3.89Å; L328-V356 HydrophobicContact CD1-CG2 3.76Å; L328-V356 HydrophobicContact CD2-CG2 4.07Å; L328-V356 HydrophobicContact CG-CG2 4.37Å; Q332-V356 HydrophobicContact CG-CG2 4.42Å; Q332-V356 VanDerWaalsContact NE2-CG1 3.31Å; V352-V356 HydrophobicContact CG1-CG1 4.22Å; D353-V356 HydrophobicContact CB-CB 4.05Å; D353-V356 HydrophobicContact CB-CG2 3.89Å; D353-V356 WeakPolarHBondContact O-CB 3.14Å; D353-V356 PolarHBondContact O-N 3.13Å; D353-V356 VanDerWaalsContact O-N 3.1Å; V356-S360 WeakPolarHBondContact O-CB 3.45Å; V356-S360 PolarHBondContact O-N 2.96Å; V356-S360 VanDerWaalsContact O-N 3.15Å; V356-L361 HydrophobicContact CG1-CD1 3.82Å; V356-L361 HydrophobicContact CG1-CG 3.86Å; V356-L361 PolarHBondContact O-N 3.16Å
357	F	98.6	Very high	98.3	Very high	30 Å²	30	25.5 Å²	25.5	13%	0.132	14%	0.14	C	C	.	.	I	π-helix	trans	-59.2	-55.3	175.2	-177.4	-101.2	0	0	0	112	V352 D353 R354 A355 V362 F374 A383 F385	V352-F357 HydrophobicContact CG1-CB 3.79Å; V352-F357 HydrophobicContact CG1-CD2 4.48Å; D353-F357 PolarHBondContact O-N 2.92Å; R354-F357 PolarHBondContact O-N 2.87Å; A355-F357 VanDerWaalsContact C-N 3.3Å; A355-F357 PolarHBondContact O-N 3.12Å; F357-V362 HydrophobicContact CD1-CG2 4.03Å; F357-V362 HydrophobicContact CD2-CG2 4.3Å; F357-V362 HydrophobicContact CE1-CG2 3.65Å; F357-V362 HydrophobicContact CE2-CG2 3.94Å; F357-V362 HydrophobicContact CG-CG2 4.35Å; F357-V362 HydrophobicContact CZ-CG2 3.59Å; F357-V362 WeakPolarHBondContact O-CB 3.31Å; F357-V362 VanDerWaalsContact O-CG2 3.27Å; F357-V362 WeakPolarHBondContact O-CG2 3.27Å; F357-V362 PolarHBondContact O-N 3.36Å; F357-F374 HydrophobicContact CB-CD2 4.19Å; F357-F374 HydrophobicContact CB-CG 4.34Å; F357-F374 HydrophobicContact CD1-CB 3.7Å; F357-F374 HydrophobicContact CD1-CG 4.1Å; F357-F374 HydrophobicContact CD2-CB 3.83Å; F357-F374 HydrophobicContact CD2-CD2 4.14Å; F357-F374 HydrophobicContact CD2-CG 4.24Å; F357-F374 HydrophobicContact CE1-CB 3.62Å; F357-F374 HydrophobicContact CE2-CB 3.75Å; F357-F374 HydrophobicContact CG-CB 3.8Å; F357-F374 HydrophobicContact CG-CD2 4.08Å; F357-F374 AromaticContact CG-CG 3.96Å; F357-F374 HydrophobicContact CG-CG 3.96Å; F357-F374 HydrophobicContact CZ-CB 3.65Å; F357-A383 HydrophobicContact CD2-CB 3.83Å; F357-A383 HydrophobicContact CE2-CB 3.97Å; F357-F385 HydrophobicContact CD2-CE2 4.13Å; F357-F385 AromaticContact CD2-CZ 3.78Å; F357-F385 HydrophobicContact CD2-CZ 3.78Å; F357-F385 HydrophobicContact CE2-CE1 4.16Å; F357-F385 AromaticContact CE2-CE2 3.86Å; F357-F385 HydrophobicContact CE2-CE2 3.86Å; F357-F385 AromaticContact CE2-CZ 3.41Å; F357-F385 HydrophobicContact CE2-CZ 3.41Å; F357-F385 VanDerWaalsContact CE2-CZ 3.41Å; F357-F385 HydrophobicContact CZ-CZ 4.35Å
358	S	97.5	Very high	98.3	Very high	43 Å²	43	28.8 Å²	28.8	30%	0.301	15%	0.154	S	C	.	.	I	π-helix	trans	-75.5	-34.1	-171.7	61.7	0	0	0	0	114.7	K182 R354 A355 P363	K182-S358 WeakPolarHBondContact CE-O 3.4Å; R354-S358 PolarHBondContact O-N 3.3Å; R354-S358 VanDerWaalsContact O-N 3.16Å; R354-S358 PolarHBondContact O-OG 3.02Å; A355-S358 PolarHBondContact O-N 3.47Å; A355-S358 PolarHBondContact O-OG 3.05Å; S358-P363 WeakPolarHBondContact O-CD 3.27Å
359	D	96.9	Very high	98.2	Very high	73 Å²	73	30 Å²	30	39%	0.39	17%	0.167	S	C	.	.	I	π-helix	trans	-107.5	-16.6	-166.6	-54.3	-23.2	0	0	0	112.6	K182 A355	K182-D359 WeakPolarHBondContact CE-OD1 3.24Å; K182-D359 IonicContact NZ-OD1 3.55Å; K182-D359 PolarHBondContact NZ-OD1 3.27Å; A355-D359 WeakPolarHBondContact O-CA 3.42Å; A355-D359 VanDerWaalsContact O-CB 3.24Å; A355-D359 WeakPolarHBondContact O-CB 3.26Å; A355-D359 PolarHBondContact O-N 2.97Å
360	S	98.4	Very high	98.2	Very high	8 Å²	8	30.1 Å²	30.1	6%	0.056	17%	0.168	C	C	.	.	I	π-helix	trans	-121	-60.5	178.4	171.7	0	0	0	0	113	Q332 Q336 V356 A364	Q332-S360 PolarHBondContact NE2-OG 3.48Å; Q336-S360 PolarHBondContact NE2-OG 2.9Å; V356-S360 WeakPolarHBondContact O-CB 3.45Å; V356-S360 PolarHBondContact O-N 2.96Å; V356-S360 VanDerWaalsContact O-N 3.15Å; S360-A364 VanDerWaalsContact O-CB 3.31Å; S360-A364 WeakPolarHBondContact O-CB 3.37Å; S360-A364 PolarHBondContact O-N 2.76Å; S360-A364 VanDerWaalsContact O-N 3.15Å
361	L	98.8	Very high	98.2	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.188	C	C	.	.	I	π-helix	trans	-70.3	-47.6	-170.3	-63.1	175.9	0	0	0	112.2	I302 I335 L339 L349 V352 V356 A364 L365 F385	I302-L361 HydrophobicContact CD1-CD1 4.04Å; I335-L361 HydrophobicContact CG2-CD2 3.96Å; L339-L361 HydrophobicContact CD1-CD2 3.96Å; L349-L361 HydrophobicContact CD1-CD1 3.67Å; L349-L361 HydrophobicContact CD1-CD2 4.26Å; V352-L361 HydrophobicContact CG1-CD1 3.64Å; V352-L361 HydrophobicContact CG2-CD1 4.33Å; V356-L361 HydrophobicContact CG1-CD1 3.82Å; V356-L361 HydrophobicContact CG1-CG 3.86Å; V356-L361 PolarHBondContact O-N 3.16Å; L361-A364 PolarHBondContact O-N 3.43Å; L361-L365 HydrophobicContact CB-CD1 4.5Å; L361-L365 VanDerWaalsContact O-CB 3.28Å; L361-L365 WeakPolarHBondContact O-CB 3.33Å; L361-L365 WeakPolarHBondContact O-CG 3.46Å; L361-L365 PolarHBondContact O-N 3.26Å; L361-F385 HydrophobicContact CB-CE2 4.15Å; L361-F385 HydrophobicContact CB-CZ 3.74Å; L361-F385 HydrophobicContact CD1-CE2 4.36Å
362	V	98.6	Very high	98.2	Very high	45 Å²	45	34.6 Å²	34.6	27%	0.273	19%	0.194	S	C	.	.	H	α-helix	trans	-59.7	-52.2	177.4	166.6	0	0	0	0	111.2	F357 A364 E366 F385	F357-V362 HydrophobicContact CD1-CG2 4.03Å; F357-V362 HydrophobicContact CD2-CG2 4.3Å; F357-V362 HydrophobicContact CE1-CG2 3.65Å; F357-V362 HydrophobicContact CE2-CG2 3.94Å; F357-V362 HydrophobicContact CG-CG2 4.35Å; F357-V362 HydrophobicContact CZ-CG2 3.59Å; F357-V362 WeakPolarHBondContact O-CB 3.31Å; F357-V362 VanDerWaalsContact O-CG2 3.27Å; F357-V362 WeakPolarHBondContact O-CG2 3.27Å; F357-V362 PolarHBondContact O-N 3.36Å; V362-A364 VanDerWaalsContact C-N 3.32Å; V362-A364 PolarHBondContact O-N 2.86Å; V362-E366 WeakPolarHBondContact O-CB 3.46Å; V362-E366 PolarHBondContact O-N 3.42Å; V362-F385 HydrophobicContact CG2-CE1 4.02Å; V362-F385 HydrophobicContact CG2-CZ 4.15Å
363	P	98.1	Very high	98.2	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.019	20%	0.199	C	C	.	.	H	α-helix	trans	-56.2	-42.6	177.9	-31.1	39.2	0	0	0	114.2	K182 S358 A367	K182-P363 HydrophobicContact CB-CB 4.33Å; K182-P363 HydrophobicContact CB-CG 3.79Å; K182-P363 HydrophobicContact CG-CG 3.86Å; S358-P363 WeakPolarHBondContact O-CD 3.27Å; P363-A367 WeakPolarHBondContact O-CB 3.38Å; P363-A367 PolarHBondContact O-N 2.97Å
364	A	98.6	Very high	98.2	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-71.5	-54.9	-179.9	0	0	0	0	0	111.7	C180 Q336 T340 S360 L361 V362 E366 A367 F368	C180-A364 HydrophobicContact CB-CB 3.92Å; Q336-A364 HydrophobicContact CB-CB 4.18Å; Q336-A364 HydrophobicContact CG-CB 3.71Å; T340-A364 HydrophobicContact CG2-CB 4.36Å; S360-A364 VanDerWaalsContact O-CB 3.31Å; S360-A364 WeakPolarHBondContact O-CB 3.37Å; S360-A364 PolarHBondContact O-N 2.76Å; S360-A364 VanDerWaalsContact O-N 3.15Å; L361-A364 PolarHBondContact O-N 3.43Å; V362-A364 VanDerWaalsContact C-N 3.32Å; V362-A364 PolarHBondContact O-N 2.86Å; A364-E366 PolarHBondContact O-N 3Å; A364-A367 WeakPolarHBondContact O-CB 3.4Å; A364-A367 PolarHBondContact O-N 3.45Å; A364-F368 VanDerWaalsContact O-CD2 3.28Å; A364-F368 WeakPolarHBondContact O-CD2 3.22Å; A364-F368 PolarHBondContact O-N 2.72Å
365	L	98.8	Very high	98.2	Very high	1 Å²	1	33 Å²	33	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-71.6	-30.7	-172.8	-63.1	177.4	0	0	0	112.5	L339 T340 I347 L361 F368 G369 L370 F385	L339-L365 HydrophobicContact CB-CD2 3.98Å; L339-L365 HydrophobicContact CD1-CD1 4.5Å; T340-L365 HydrophobicContact CG2-CD2 4.07Å; I347-L365 HydrophobicContact CD1-CD1 4.33Å; I347-L365 HydrophobicContact CD1-CD2 4.04Å; L361-L365 HydrophobicContact CB-CD1 4.5Å; L361-L365 VanDerWaalsContact O-CB 3.28Å; L361-L365 WeakPolarHBondContact O-CB 3.33Å; L361-L365 WeakPolarHBondContact O-CG 3.46Å; L361-L365 PolarHBondContact O-N 3.26Å; L365-F368 CarbonylContact O-C 3.59Å; L365-F368 PolarHBondContact O-N 2.82Å; L365-G369 PolarHBondContact O-N 2.91Å; L365-L370 HydrophobicContact CB-CB 4.19Å; L365-L370 HydrophobicContact CB-CD1 4.44Å; L365-L370 HydrophobicContact CD2-CD1 4.47Å; L365-L370 WeakPolarHBondContact O-CD1 3.41Å; L365-L370 PolarHBondContact O-N 2.79Å; L365-F385 HydrophobicContact CB-CD1 3.92Å; L365-F385 HydrophobicContact CB-CE1 4.1Å; L365-F385 HydrophobicContact CD1-CB 4.21Å; L365-F385 HydrophobicContact CD1-CD1 3.63Å; L365-F385 HydrophobicContact CD1-CD2 3.59Å; L365-F385 HydrophobicContact CD1-CE1 3.79Å; L365-F385 HydrophobicContact CD1-CE2 3.75Å; L365-F385 HydrophobicContact CD1-CG 3.53Å; L365-F385 HydrophobicContact CD1-CZ 3.85Å; L365-F385 HydrophobicContact CG-CD1 4.43Å
366	E	97.8	Very high	98.2	Very high	56 Å²	56	33 Å²	33	26%	0.262	18%	0.182	S	C	.	.	H	α-helix	trans	-63.8	-42.5	172	-169.5	-159	-170.6	0	0	112.2	R233 V362 A364 F368 G369 L370	R233-E366 IonicContact CZ-OE2 2.96Å; R233-E366 IonicContact NH1-OE2 3.81Å; R233-E366 PolarHBondContact NH1-OE2 2.75Å; R233-E366 IonicContact NH2-OE2 3.79Å; R233-E366 PolarHBondContact NH2-OE2 3.03Å; V362-E366 WeakPolarHBondContact O-CB 3.46Å; V362-E366 PolarHBondContact O-N 3.42Å; A364-E366 PolarHBondContact O-N 3Å; E366-F368 PolarHBondContact O-N 2.99Å; E366-F368 VanDerWaalsContact O-N 3.14Å; E366-G369 PolarHBondContact O-N 3.33Å; E366-L370 WeakPolarHBondContact CA-O 3.43Å
367	A	97.7	Very high	97.8	Very high	34 Å²	34	34.8 Å²	34.8	28%	0.281	19%	0.189	S	C	.	.	H	α-helix	trans	-60.8	-23.7	176.1	0	0	0	0	0	112.6	R233 V234 P363 A364	R233-A367 HydrophobicContact CG-CB 4.46Å; V234-A367 HydrophobicContact CG2-CB 3.51Å; P363-A367 WeakPolarHBondContact O-CB 3.38Å; P363-A367 PolarHBondContact O-N 2.97Å; A364-A367 WeakPolarHBondContact O-CB 3.4Å; A364-A367 PolarHBondContact O-N 3.45Å
368	F	98.3	Very high	97.1	Very high	68 Å²	68	39 Å²	39	30%	0.298	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	13.3	175	-72.7	-103.4	0	0	0	113.3	V234 T340 A364 L365 E366 L370 R387	V234-F368 HydrophobicContact CG1-CE2 4.4Å; V234-F368 HydrophobicContact CG2-CE2 4.09Å; T340-F368 HydrophobicContact CG2-CB 4.35Å; T340-F368 HydrophobicContact CG2-CD1 4.34Å; T340-F368 HydrophobicContact CG2-CD2 3.42Å; T340-F368 VanDerWaalsContact CG2-CD2 3.42Å; T340-F368 HydrophobicContact CG2-CE2 3.65Å; T340-F368 HydrophobicContact CG2-CG 3.79Å; T340-F368 HydrophobicContact CG2-CZ 4.21Å; A364-F368 VanDerWaalsContact O-CD2 3.28Å; A364-F368 WeakPolarHBondContact O-CD2 3.22Å; A364-F368 PolarHBondContact O-N 2.72Å; L365-F368 CarbonylContact O-C 3.59Å; L365-F368 PolarHBondContact O-N 2.82Å; E366-F368 PolarHBondContact O-N 2.99Å; E366-F368 VanDerWaalsContact O-N 3.14Å; F368-L370 HydrophobicContact CB-CD1 4.26Å; F368-R387 PolarHBondContact O-NH1 3.39Å
369	G	98.1	Very high	96.6	Very high	26 Å²	26	42.7 Å²	42.7	27%	0.268	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	14.5	168.8	0	0	0	0	0	115.8	L365 E366 K388	L365-G369 PolarHBondContact O-N 2.91Å; E366-G369 PolarHBondContact O-N 3.33Å; G369-K388 PolarHBondContact O-N 3.39Å
370	L	98.8	Very high	96.6	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	152.6	172.8	-57.6	91.7	0	0	0	111.4	I347 L365 E366 F368 F385 Y386 R387	I347-L370 HydrophobicContact CD1-CD2 3.78Å; I347-L370 HydrophobicContact CG1-CD2 4.06Å; L365-L370 HydrophobicContact CB-CB 4.19Å; L365-L370 HydrophobicContact CB-CD1 4.44Å; L365-L370 HydrophobicContact CD2-CD1 4.47Å; L365-L370 WeakPolarHBondContact O-CD1 3.41Å; L365-L370 PolarHBondContact O-N 2.79Å; E366-L370 WeakPolarHBondContact CA-O 3.43Å; F368-L370 HydrophobicContact CB-CD1 4.26Å; L370-F385 HydrophobicContact CB-CB 4.27Å; L370-F385 HydrophobicContact CD2-CB 4.1Å; L370-Y386 CarbonylContact C-O 3.53Å; L370-Y386 VanDerWaalsContact CA-O 3.26Å; L370-Y386 WeakPolarHBondContact CA-O 3.46Å; L370-R387 HydrophobicContact CG-CB 4.34Å
371	E	98.5	Very high	96.6	Very high	91 Å²	91	38.8 Å²	38.8	43%	0.425	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	150.4	170.6	-177.8	173.2	-147.1	0	0	108.2	F385 Y386 K388	E371-F385 CarbonylContact O-C 3.58Å; E371-F385 WeakPolarHBondContact O-CA 3.32Å; E371-Y386 HydrophobicContact CB-CE1 4.48Å; E371-Y386 HydrophobicContact CB-CE2 3.92Å; E371-Y386 HydrophobicContact CG-CE2 4.43Å; E371-Y386 WeakPolarHBondContact CG-OH 3.26Å; E371-Y386 PolarHBondContact N-O 2.98Å; E371-Y386 PolarHBondContact O-N 2.64Å; E371-Y386 PolarHBondContact OE2-OH 3.14Å; E371-K388 HydrophobicContact CB-CD 3.92Å; E371-K388 HydrophobicContact CB-CG 3.78Å
372	G	98.5	Very high	96.6	Very high	21 Å²	21	38.9 Å²	38.9	22%	0.216	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	151.3	-171.4	0	0	0	0	0	114.6	T384	G372-T384 CarbonylContact C-O 3.6Å; G372-T384 VanDerWaalsContact CA-O 3.27Å; G372-T384 WeakPolarHBondContact CA-O 3.46Å
373	V	98.8	Very high	96.6	Very high	18 Å²	18	36.7 Å²	36.7	11%	0.109	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	145.4	172.8	-68.1	0	0	0	0	110.4	A383 T384 L393 Q436	V373-A383 VanDerWaalsContact O-CA 3.29Å; V373-A383 WeakPolarHBondContact O-CA 3.13Å; V373-T384 PolarHBondContact N-O 3.27Å; V373-T384 PolarHBondContact O-N 2.82Å; V373-L393 HydrophobicContact CG1-CD2 3.68Å; V373-Q436 PolarHBondContact O-NE2 3.39Å; V373-Q436 VanDerWaalsContact O-NE2 3.13Å
374	F	98.7	Very high	96.7	Very high	40 Å²	40	36.6 Å²	36.6	18%	0.175	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	133.7	-175.2	178.1	-113.4	0	0	0	111.6	V352 R354 F357 I376 L382 A383	V352-F374 HydrophobicContact CB-CD2 4.49Å; V352-F374 HydrophobicContact CB-CE2 4.01Å; V352-F374 HydrophobicContact CG1-CD2 4.33Å; V352-F374 HydrophobicContact CG1-CE2 4.08Å; V352-F374 VanDerWaalsContact O-CE2 3.28Å; V352-F374 WeakPolarHBondContact O-CE2 3.26Å; R354-F374 HydrophobicContact CB-CE1 4.33Å; F357-F374 HydrophobicContact CB-CD2 4.19Å; F357-F374 HydrophobicContact CB-CG 4.34Å; F357-F374 HydrophobicContact CD1-CB 3.7Å; F357-F374 HydrophobicContact CD1-CG 4.1Å; F357-F374 HydrophobicContact CD2-CB 3.83Å; F357-F374 HydrophobicContact CD2-CD2 4.14Å; F357-F374 HydrophobicContact CD2-CG 4.24Å; F357-F374 HydrophobicContact CE1-CB 3.62Å; F357-F374 HydrophobicContact CE2-CB 3.75Å; F357-F374 HydrophobicContact CG-CB 3.8Å; F357-F374 HydrophobicContact CG-CD2 4.08Å; F357-F374 AromaticContact CG-CG 3.96Å; F357-F374 HydrophobicContact CG-CG 3.96Å; F357-F374 HydrophobicContact CZ-CB 3.65Å; F374-I376 HydrophobicContact CE1-CB 3.83Å; F374-I376 HydrophobicContact CE1-CG1 4.35Å; F374-I376 HydrophobicContact CZ-CB 4.07Å; F374-I376 HydrophobicContact CZ-CG1 4.29Å; F374-L382 WeakPolarHBondContact CA-O 3.27Å; F374-L382 WeakPolarHBondContact CD2-O 3.16Å; F374-A383 HydrophobicContact CD2-CB 4.4Å
375	R	98	Very high	96.7	Very high	73 Å²	73	36.6 Å²	36.6	28%	0.275	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	112.3	173.5	177.7	65.8	-179.7	-151.9	-1.3	109	G381 L382 D398 S400 V434 Q436	R375-G381 CarbonylContact O-C 3.57Å; R375-G381 WeakPolarHBondContact O-CA 3.14Å; R375-L382 PolarHBondContact N-O 2.85Å; R375-L382 PolarHBondContact O-N 3.23Å; R375-D398 HydrophobicContact CG-CB 4.22Å; R375-S400 PolarHBondContact NH2-OG 2.76Å; R375-V434 HydrophobicContact CG-CB 4.48Å; R375-V434 HydrophobicContact CG-CG2 4.26Å; R375-Q436 HydrophobicContact CB-CB 4.41Å; R375-Q436 HydrophobicContact CB-CG 4.48Å
376	I	96	Very high	96.7	Very high	53 Å²	53	37 Å²	37	27%	0.272	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	144.2	176.4	-163.2	162.3	0	0	0	111.1	R354 F374 Q378	R354-I376 VanDerWaalsContact NH2-CD1 3.25Å; F374-I376 HydrophobicContact CE1-CB 3.83Å; F374-I376 HydrophobicContact CE1-CG1 4.35Å; F374-I376 HydrophobicContact CZ-CB 4.07Å; F374-I376 HydrophobicContact CZ-CG1 4.29Å; I376-Q378 WeakPolarHBondContact CD1-O 3.29Å
377	K	89.4	Confident	96.7	Very high	42 Å²	42	35 Å²	35	18%	0.183	18%	0.178	C	C	.	.	S	Bend	trans	-93.4	-68.1	169.7	-169.6	-178.5	68.7	-144.5	0	110	E380 S432 V434	K377-E380 WeakPolarHBondContact CB-O 3.29Å; K377-E380 WeakPolarHBondContact CE-OE1 3.46Å; K377-E380 PolarHBondContact N-O 2.85Å; K377-E380 VanDerWaalsContact NZ-CD 3.34Å; K377-E380 IonicContact NZ-OE1 3.99Å; K377-E380 PolarHBondContact NZ-OE1 2.92Å; K377-E380 IonicContact NZ-OE2 2.75Å; K377-E380 PolarHBondContact NZ-OE2 2.8Å; K377-S432 WeakPolarHBondContact CG-O 3.23Å; K377-V434 HydrophobicContact CB-CG2 4.14Å; K377-V434 HydrophobicContact CG-CG1 4.5Å; K377-V434 HydrophobicContact CG-CG2 4.33Å
378	Q	84.9	Confident	96.8	Very high	120 Å²	120	37.8 Å²	37.8	56%	0.561	18%	0.184	S	C	*	.	S	Bend	trans	-139.5	-71.5	173.5	-75.3	-177.8	-16.6	0	0	110.6	I376 E380 S432	I376-Q378 WeakPolarHBondContact CD1-O 3.29Å; Q378-E380 PolarHBondContact N-O 3.22Å; Q378-S432 PolarHBondContact NE2-OG 3.44Å
379	H	88	Confident	96.8	Very high	119 Å²	119	37.5 Å²	37.5	55%	0.551	19%	0.19	S	C	*	.	S	Bend	trans	-100.8	-43.8	178.9	-60.1	-60.9	0	0	0	111.6	T306	T306-H379 HydrophobicContact CG2-CB 3.96Å
380	E	96.4	Very high	96.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	-178.3	169.9	51.6	58.8	-104.5	0	0	110.5	A304 T306 Y307 E351 V352 K377 Q378	A304-E380 HydrophobicContact CB-CB 3.76Å; A304-E380 HydrophobicContact CB-CG 3.66Å; T306-E380 HydrophobicContact CG2-CG 4.33Å; Y307-E380 HydrophobicContact CE2-CG 3.85Å; Y307-E380 PolarHBondContact OH-OE1 3.49Å; E351-E380 WeakPolarHBondContact CA-OE2 3.38Å; V352-E380 CarbonylContact O-C 3.56Å; V352-E380 WeakPolarHBondContact O-CA 3.41Å; K377-E380 WeakPolarHBondContact CB-O 3.29Å; K377-E380 WeakPolarHBondContact CE-OE1 3.46Å; K377-E380 PolarHBondContact N-O 2.85Å; K377-E380 VanDerWaalsContact NZ-CD 3.34Å; K377-E380 IonicContact NZ-OE1 3.99Å; K377-E380 PolarHBondContact NZ-OE1 2.92Å; K377-E380 IonicContact NZ-OE2 2.75Å; K377-E380 PolarHBondContact NZ-OE2 2.8Å; Q378-E380 PolarHBondContact N-O 3.22Å
381	G	97.9	Very high	96.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	-154.4	176.3	0	0	0	0	0	114.2	E351 V352 R375	E351-G381 PolarHBondContact N-O 3.09Å; V352-G381 PolarHBondContact N-O 2.94Å; V352-G381 PolarHBondContact O-N 3.15Å; R375-G381 CarbonylContact O-C 3.57Å; R375-G381 WeakPolarHBondContact O-CA 3.14Å
382	L	98.9	Very high	96.8	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	141.4	-173.2	-53.9	179.3	0	0	0	110.2	L349 Q350 F374 R375 V434 Q436 N454 H456	L349-L382 WeakPolarHBondContact O-CA 3.29Å; Q350-L382 HydrophobicContact CB-CD2 4.17Å; Q350-L382 HydrophobicContact CG-CD2 3.91Å; F374-L382 WeakPolarHBondContact CA-O 3.27Å; F374-L382 WeakPolarHBondContact CD2-O 3.16Å; R375-L382 PolarHBondContact N-O 2.85Å; R375-L382 PolarHBondContact O-N 3.23Å; L382-V434 HydrophobicContact CD1-CG2 3.76Å; L382-V434 HydrophobicContact CG-CG2 4.09Å; L382-Q436 HydrophobicContact CB-CB 4.17Å; L382-Q436 HydrophobicContact CD1-CB 3.93Å; L382-N454 VanDerWaalsContact CD1-O 3.29Å; L382-N454 WeakPolarHBondContact CD1-O 3.41Å; L382-H456 HydrophobicContact CD2-CB 3.91Å
383	A	98.9	Very high	96.9	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141.6	169.6	0	0	0	0	0	111	C348 L349 V352 F357 V373 F374 F385 N454	C348-A383 CarbonylContact C-O 3.53Å; C348-A383 WeakPolarHBondContact CA-O 3.46Å; L349-A383 HydrophobicContact CB-CB 4.37Å; L349-A383 PolarHBondContact N-O 3.06Å; L349-A383 PolarHBondContact O-N 3.12Å; V352-A383 HydrophobicContact CG1-CB 4.43Å; V352-A383 HydrophobicContact CG2-CB 4.03Å; F357-A383 HydrophobicContact CD2-CB 3.83Å; F357-A383 HydrophobicContact CE2-CB 3.97Å; V373-A383 VanDerWaalsContact O-CA 3.29Å; V373-A383 WeakPolarHBondContact O-CA 3.13Å; F374-A383 HydrophobicContact CD2-CB 4.4Å; A383-F385 HydrophobicContact CB-CD2 4.31Å; A383-F385 HydrophobicContact CB-CE2 3.79Å; A383-N454 PolarHBondContact O-ND2 2.91Å; A383-N454 VanDerWaalsContact O-ND2 3.14Å
384	T	98.9	Very high	96.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	121.9	169.7	-65.9	0	0	0	0	108.2	I347 G372 V373 Q436 V452	I347-T384 CarbonylContact O-C 3.52Å; I347-T384 VanDerWaalsContact O-CA 3.31Å; I347-T384 WeakPolarHBondContact O-CA 3.37Å; G372-T384 CarbonylContact C-O 3.6Å; G372-T384 VanDerWaalsContact CA-O 3.27Å; G372-T384 WeakPolarHBondContact CA-O 3.46Å; V373-T384 PolarHBondContact N-O 3.27Å; V373-T384 PolarHBondContact O-N 2.82Å; T384-Q436 VanDerWaalsContact N-OE1 3.08Å; T384-Q436 PolarHBondContact OG1-OE1 3.19Å; T384-V452 HydrophobicContact CG2-CG1 4.07Å
385	F	98.9	Very high	96.9	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.009	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	141.9	173.1	-67.2	-98.7	0	0	0	110.4	V346 I347 L349 F357 L361 V362 L365 L370 E371 A383	V346-F385 CarbonylContact C-O 3.57Å; V346-F385 WeakPolarHBondContact CA-O 3.34Å; I347-F385 HydrophobicContact CB-CB 4.24Å; I347-F385 PolarHBondContact N-O 3.36Å; I347-F385 PolarHBondContact O-N 2.63Å; L349-F385 HydrophobicContact CD1-CD2 4.39Å; L349-F385 HydrophobicContact CD1-CE2 4.21Å; F357-F385 HydrophobicContact CD2-CE2 4.13Å; F357-F385 AromaticContact CD2-CZ 3.78Å; F357-F385 HydrophobicContact CD2-CZ 3.78Å; F357-F385 HydrophobicContact CE2-CE1 4.16Å; F357-F385 AromaticContact CE2-CE2 3.86Å; F357-F385 HydrophobicContact CE2-CE2 3.86Å; F357-F385 AromaticContact CE2-CZ 3.41Å; F357-F385 HydrophobicContact CE2-CZ 3.41Å; F357-F385 VanDerWaalsContact CE2-CZ 3.41Å; F357-F385 HydrophobicContact CZ-CZ 4.35Å; L361-F385 HydrophobicContact CB-CE2 4.15Å; L361-F385 HydrophobicContact CB-CZ 3.74Å; L361-F385 HydrophobicContact CD1-CE2 4.36Å; V362-F385 HydrophobicContact CG2-CE1 4.02Å; V362-F385 HydrophobicContact CG2-CZ 4.15Å; L365-F385 HydrophobicContact CB-CD1 3.92Å; L365-F385 HydrophobicContact CB-CE1 4.1Å; L365-F385 HydrophobicContact CD1-CB 4.21Å; L365-F385 HydrophobicContact CD1-CD1 3.63Å; L365-F385 HydrophobicContact CD1-CD2 3.59Å; L365-F385 HydrophobicContact CD1-CE1 3.79Å; L365-F385 HydrophobicContact CD1-CE2 3.75Å; L365-F385 HydrophobicContact CD1-CG 3.53Å; L365-F385 HydrophobicContact CD1-CZ 3.85Å; L365-F385 HydrophobicContact CG-CD1 4.43Å; L370-F385 HydrophobicContact CB-CB 4.27Å; L370-F385 HydrophobicContact CD2-CB 4.1Å; E371-F385 CarbonylContact O-C 3.58Å; E371-F385 WeakPolarHBondContact O-CA 3.32Å; A383-F385 HydrophobicContact CB-CD2 4.31Å; A383-F385 HydrophobicContact CB-CE2 3.79Å
386	Y	98.9	Very high	96.9	Very high	8 Å²	8	39 Å²	39	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	141.4	177.6	57.9	-91.4	0	0	0	111	D345 L370 E371 K388 F391 L393 L440	D345-Y386 CarbonylContact O-C 3.52Å; D345-Y386 VanDerWaalsContact O-CA 3.27Å; D345-Y386 WeakPolarHBondContact O-CA 3.47Å; L370-Y386 CarbonylContact C-O 3.53Å; L370-Y386 VanDerWaalsContact CA-O 3.26Å; L370-Y386 WeakPolarHBondContact CA-O 3.46Å; E371-Y386 HydrophobicContact CB-CE1 4.48Å; E371-Y386 HydrophobicContact CB-CE2 3.92Å; E371-Y386 HydrophobicContact CG-CE2 4.43Å; E371-Y386 WeakPolarHBondContact CG-OH 3.26Å; E371-Y386 PolarHBondContact N-O 2.98Å; E371-Y386 PolarHBondContact O-N 2.64Å; E371-Y386 PolarHBondContact OE2-OH 3.14Å; Y386-K388 PolarHBondContact O-N 3.07Å; Y386-F391 HydrophobicContact CD2-CB 4.21Å; Y386-L393 HydrophobicContact CE1-CB 3.81Å; Y386-L393 HydrophobicContact CE1-CD2 4.38Å; Y386-L393 HydrophobicContact CE2-CB 4.34Å; Y386-L393 WeakPolarHBondContact OH-CB 3.43Å; Y386-L440 HydrophobicContact CD1-CD2 3.84Å; Y386-L440 HydrophobicContact CE1-CD2 4.37Å; Y386-L440 HydrophobicContact CG-CD1 4.34Å; Y386-L440 HydrophobicContact CG-CD2 3.96Å
387	R	98.9	Very high	97	Very high	15 Å²	15	38.5 Å²	38.5	6%	0.057	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	113.9	-180	177.9	171.3	-62.9	-70.5	-8.5	111.2	A344 D345 F368 L370 S389 K390 F391	A344-R387 VanDerWaalsContact O-CZ 3.31Å; A344-R387 PolarHBondContact O-NE 3.25Å; A344-R387 PolarHBondContact O-NH2 2.84Å; D345-R387 HydrophobicContact CB-CB 4.48Å; D345-R387 PolarHBondContact O-N 2.95Å; D345-R387 WeakPolarHBondContact OD1-CD 3.44Å; D345-R387 IonicContact OD1-NE 3.64Å; D345-R387 PolarHBondContact OD1-NE 3.3Å; F368-R387 PolarHBondContact O-NH1 3.39Å; L370-R387 HydrophobicContact CG-CB 4.34Å; R387-S389 WeakPolarHBondContact CD-OG 3.38Å; R387-S389 VanDerWaalsContact CG-OG 3.28Å; R387-S389 WeakPolarHBondContact CG-OG 3.17Å; R387-S389 PolarHBondContact O-N 3.14Å; R387-S389 VanDerWaalsContact O-N 3.11Å; R387-K390 PolarHBondContact O-N 2.95Å; R387-F391 PolarHBondContact O-N 3.19Å
388	K	98.6	Very high	97.5	Very high	93 Å²	93	38 Å²	38	40%	0.404	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-31.2	-177.5	-70.1	-171.2	-73.2	-166.1	0	113.9	G369 E371 Y386 K390 F391	G369-K388 PolarHBondContact O-N 3.39Å; E371-K388 HydrophobicContact CB-CD 3.92Å; E371-K388 HydrophobicContact CB-CG 3.78Å; Y386-K388 PolarHBondContact O-N 3.07Å; K388-K390 PolarHBondContact O-N 2.88Å; K388-F391 WeakPolarHBondContact CA-O 3.38Å
389	S	98.5	Very high	98.1	Very high	62 Å²	62	33.3 Å²	33.3	43%	0.434	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-13.2	178.7	68.6	0	0	0	0	113.9	R387 T443 K444	R387-S389 WeakPolarHBondContact CD-OG 3.38Å; R387-S389 VanDerWaalsContact CG-OG 3.28Å; R387-S389 WeakPolarHBondContact CG-OG 3.17Å; R387-S389 PolarHBondContact O-N 3.14Å; R387-S389 VanDerWaalsContact O-N 3.11Å; S389-T443 PolarHBondContact O-OG1 2.91Å; S389-K444 WeakPolarHBondContact O-CE 3.37Å; S389-K444 PolarHBondContact O-NZ 3.39Å
390	K	98.8	Very high	98.7	Very high	7 Å²	7	28.3 Å²	28.3	3%	0.03	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122	-27.3	-179.5	-65.4	-179.9	75.9	167.8	0	113	T290 E291 L294 D345 R387 K388 S442 T443	T290-K390 PolarHBondContact OG1-NZ 3.14Å; E291-K390 PolarHBondContact O-NZ 2.82Å; L294-K390 WeakPolarHBondContact O-CE 3.27Å; L294-K390 PolarHBondContact O-NZ 3.42Å; D345-K390 HydrophobicContact CB-CD 4.43Å; D345-K390 VanDerWaalsContact OD1-CD 3.24Å; D345-K390 WeakPolarHBondContact OD1-CD 3.4Å; D345-K390 IonicContact OD1-NZ 2.64Å; D345-K390 IonicContact OD2-NZ 3.61Å; D345-K390 PolarHBondContact OD2-NZ 3.08Å; R387-K390 PolarHBondContact O-N 2.95Å; K388-K390 PolarHBondContact O-N 2.88Å; K390-S442 CarbonylContact O-C 3.49Å; K390-S442 WeakPolarHBondContact O-CA 3.32Å; K390-T443 VanDerWaalsContact C-OG1 3.27Å; K390-T443 VanDerWaalsContact CA-OG1 3.31Å; K390-T443 WeakPolarHBondContact CA-OG1 3.43Å; K390-T443 PolarHBondContact O-N 2.85Å; K390-T443 PolarHBondContact O-OG1 3.47Å
391	F	98.9	Very high	98.8	Very high	5 Å²	5	28.5 Å²	28.5	2%	0.022	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	148.9	-175.9	-64.3	-72.3	0	0	0	113.1	I295 D345 V346 Y386 R387 K388 L440 Q441 I450	I295-F391 HydrophobicContact CD1-CZ 3.93Å; I295-F391 HydrophobicContact CG1-CZ 4Å; I295-F391 HydrophobicContact CG2-CE2 4.21Å; I295-F391 HydrophobicContact CG2-CZ 4.32Å; D345-F391 HydrophobicContact CB-CE2 4.23Å; V346-F391 HydrophobicContact CG2-CE2 4.36Å; Y386-F391 HydrophobicContact CD2-CB 4.21Å; R387-F391 PolarHBondContact O-N 3.19Å; K388-F391 WeakPolarHBondContact CA-O 3.38Å; F391-L440 HydrophobicContact CB-CB 4.24Å; F391-L440 HydrophobicContact CB-CD1 4.35Å; F391-L440 HydrophobicContact CD1-CB 3.92Å; F391-L440 HydrophobicContact CG-CB 4.29Å; F391-L440 HydrophobicContact CG-CD1 4.3Å; F391-Q441 CarbonylContact C-O 3.57Å; F391-Q441 VanDerWaalsContact CA-O 3.25Å; F391-Q441 WeakPolarHBondContact CA-O 3.45Å; F391-I450 HydrophobicContact CE1-CG2 4.09Å
392	S	98.8	Very high	98.8	Very high	49 Å²	49	32.6 Å²	32.6	34%	0.343	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140.7	163.2	58.9	0	0	0	0	109.8	L394 Q441	S392-L394 PolarHBondContact O-N 2.85Å; S392-Q441 PolarHBondContact N-O 3.03Å; S392-Q441 PolarHBondContact O-N 3.17Å
393	L	98.9	Very high	98.8	Very high	49 Å²	49	37.3 Å²	37.3	26%	0.257	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	125.2	174.2	-179.1	64.3	0	0	0	110.7	V373 Y386 Q396 L440	V373-L393 HydrophobicContact CG1-CD2 3.68Å; Y386-L393 HydrophobicContact CE1-CB 3.81Å; Y386-L393 HydrophobicContact CE1-CD2 4.38Å; Y386-L393 HydrophobicContact CE2-CB 4.34Å; Y386-L393 WeakPolarHBondContact OH-CB 3.43Å; L393-Q396 HydrophobicContact CD1-CG 4.08Å; L393-Q396 HydrophobicContact CD2-CG 4.04Å; L393-Q396 HydrophobicContact CG-CG 4.48Å; L393-L440 HydrophobicContact CB-CD2 4.38Å; L393-L440 HydrophobicContact CD1-CD2 3.88Å
394	L	98.7	Very high	98.7	Very high	78 Å²	78	37.7 Å²	37.7	41%	0.408	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-46.6	174.8	-69.6	-176.2	0	0	0	112.4	S392 V439 Q441 R449 Y486	S392-L394 PolarHBondContact O-N 2.85Å; L394-V439 HydrophobicContact CB-CG1 4.46Å; L394-V439 WeakPolarHBondContact CB-O 3.34Å; L394-V439 HydrophobicContact CD1-CG1 4.28Å; L394-V439 PolarHBondContact N-O 2.93Å; L394-Q441 HydrophobicContact CD1-CB 3.77Å; L394-Q441 HydrophobicContact CD2-CB 3.72Å; L394-Q441 HydrophobicContact CD2-CG 4.41Å; L394-Q441 HydrophobicContact CG-CB 3.59Å; L394-R449 HydrophobicContact CD1-CG 4.16Å; L394-Y486 HydrophobicContact CD1-CE1 4.26Å
395	S	98.8	Very high	98.7	Very high	26 Å²	26	37.7 Å²	37.7	18%	0.182	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	158.5	-175.6	58.9	0	0	0	0	111.4	H397 V439 Y486	S395-H397 WeakPolarHBondContact CB-NE2 3.17Å; S395-H397 PolarHBondContact OG-NE2 3.38Å; S395-V439 PolarHBondContact O-N 3.12Å; S395-Y486 PolarHBondContact OG-OH 2.78Å
396	Q	98.9	Very high	98.7	Very high	90 Å²	90	43 Å²	43	42%	0.421	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	142.1	175.8	-65.4	-179.4	-100.1	0	0	109.9	L393 V437	L393-Q396 HydrophobicContact CD1-CG 4.08Å; L393-Q396 HydrophobicContact CD2-CG 4.04Å; L393-Q396 HydrophobicContact CG-CG 4.48Å; Q396-V437 CarbonylContact C-O 3.59Å; Q396-V437 VanDerWaalsContact CA-O 3.29Å; Q396-V437 WeakPolarHBondContact CA-O 3.28Å
397	H	98.8	Very high	98.6	Very high	42 Å²	42	46.9 Å²	46.9	19%	0.194	25%	0.246	C	C	.	.			trans	-137.7	46.4	-175.2	-54.3	-88.7	0	0	0	110.7	S395 V437 H477 V481	S395-H397 WeakPolarHBondContact CB-NE2 3.17Å; S395-H397 PolarHBondContact OG-NE2 3.38Å; H397-V437 HydrophobicContact CB-CB 4.07Å; H397-V437 HydrophobicContact CB-CG1 4.26Å; H397-V437 PolarHBondContact N-O 2.98Å; H397-H477 PolarHBondContact O-NE2 3.01Å; H397-V481 HydrophobicContact CB-CG2 3.67Å
398	D	98.8	Very high	98.6	Very high	32 Å²	32	49.1 Å²	49.1	17%	0.171	26%	0.259	C	S	.	.			trans	-70.8	139	-176.1	-58.5	-10.3	0	0	0	111.3	R375 L435 Q436 V437	R375-D398 HydrophobicContact CG-CB 4.22Å; D398-L435 CarbonylContact C-O 3.45Å; D398-L435 VanDerWaalsContact CA-O 3.26Å; D398-L435 WeakPolarHBondContact CA-O 3.33Å; D398-Q436 VanDerWaalsContact OD1-CA 3.29Å; D398-Q436 WeakPolarHBondContact OD1-CA 3.38Å; D398-Q436 WeakPolarHBondContact OD1-CG 3.39Å; D398-V437 PolarHBondContact OD1-N 3.3Å
399	I	98.8	Very high	98.6	Very high	21 Å²	21	49.8 Å²	49.8	11%	0.108	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	152.7	178.1	59.9	166	0	0	0	112	F401 A404 V434 L435 V473 H477	I399-F401 HydrophobicContact CD1-CD1 4.45Å; I399-A404 HydrophobicContact CB-CB 4.28Å; I399-A404 HydrophobicContact CD1-CB 3.8Å; I399-V434 CarbonylContact O-C 3.55Å; I399-V434 WeakPolarHBondContact O-CA 3.34Å; I399-V434 WeakPolarHBondContact O-CB 2.94Å; I399-L435 HydrophobicContact CD1-CD2 4.22Å; I399-L435 HydrophobicContact CG1-CB 3.83Å; I399-L435 HydrophobicContact CG1-CD2 4.18Å; I399-L435 PolarHBondContact N-O 2.96Å; I399-L435 PolarHBondContact O-N 2.82Å; I399-V473 HydrophobicContact CD1-CG1 4.06Å; I399-H477 HydrophobicContact CD1-CB 3.78Å; I399-H477 VanDerWaalsContact CG2-CE1 3.45Å; I399-H477 WeakPolarHBondContact CG2-CE1 3.34Å
400	S	98.7	Very high	98.6	Very high	13 Å²	13	49.2 Å²	49.2	9%	0.091	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	130.7	160.2	-47.1	0	0	0	0	107.7	R375 Y402 E403 A404	R375-S400 PolarHBondContact NH2-OG 2.76Å; S400-Y402 VanDerWaalsContact C-N 3.33Å; S400-Y402 PolarHBondContact O-N 2.98Å; S400-E403 PolarHBondContact O-N 2.87Å; S400-A404 PolarHBondContact O-N 2.79Å
401	F	98.8	Very high	98.6	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.018	26%	0.264	C	S	.	.	H	α-helix	trans	-61.7	-40.4	-172.3	-68	-57.4	0	0	0	113.1	I399 L405 S433 L435 T455 L457 Q470 V473 A474	I399-F401 HydrophobicContact CD1-CD1 4.45Å; F401-L405 VanDerWaalsContact O-CB 3.24Å; F401-L405 WeakPolarHBondContact O-CB 3.24Å; F401-L405 PolarHBondContact O-N 2.67Å; F401-S433 WeakPolarHBondContact CD2-O 3.2Å; F401-S433 PolarHBondContact N-O 2.82Å; F401-S433 VanDerWaalsContact N-O 3.14Å; F401-L435 HydrophobicContact CE1-CB 3.7Å; F401-L435 HydrophobicContact CE1-CD2 4.38Å; F401-L435 HydrophobicContact CZ-CB 3.75Å; F401-T455 WeakPolarHBondContact CE2-OG1 3.39Å; F401-T455 WeakPolarHBondContact CZ-OG1 3.22Å; F401-L457 HydrophobicContact CE2-CD2 3.74Å; F401-L457 HydrophobicContact CZ-CD2 3.95Å; F401-Q470 HydrophobicContact CB-CG 4.33Å; F401-Q470 HydrophobicContact CD2-CB 4.1Å; F401-Q470 HydrophobicContact CD2-CG 3.92Å; F401-Q470 HydrophobicContact CE2-CB 4.26Å; F401-Q470 HydrophobicContact CE2-CG 4.48Å; F401-Q470 HydrophobicContact CG-CB 4.3Å; F401-Q470 HydrophobicContact CG-CG 4.18Å; F401-V473 HydrophobicContact CD1-CB 4.12Å; F401-V473 HydrophobicContact CD1-CG1 3.84Å; F401-A474 HydrophobicContact CE1-CB 3.77Å; F401-A474 HydrophobicContact CZ-CB 4.25Å
402	Y	98.3	Very high	98.5	Very high	87 Å²	87	54.7 Å²	54.7	34%	0.341	29%	0.288	S	S	.	.	H	α-helix	trans	-63.9	-44.1	179.5	77.5	-86.7	0	0	0	111.7	S400 L405 E406 L429 R431	S400-Y402 VanDerWaalsContact C-N 3.33Å; S400-Y402 PolarHBondContact O-N 2.98Å; Y402-L405 PolarHBondContact O-N 3.18Å; Y402-E406 WeakPolarHBondContact O-CB 3.12Å; Y402-E406 PolarHBondContact O-N 3.08Å; Y402-L429 VanDerWaalsContact CB-O 3.24Å; Y402-L429 WeakPolarHBondContact CB-O 3.37Å; Y402-R431 WeakPolarHBondContact CD1-O 3.38Å
403	E	98.4	Very high	98.5	Very high	101 Å²	101	58.3 Å²	58.3	47%	0.472	30%	0.3	S	S	.	.	H	α-helix	trans	-65.6	-45.5	-178	-174.7	177.2	-165.3	0	0	110.7	S400 S407	S400-E403 PolarHBondContact O-N 2.87Å; E403-S407 VanDerWaalsContact O-CB 3.3Å; E403-S407 WeakPolarHBondContact O-CB 3.45Å; E403-S407 PolarHBondContact O-N 2.82Å
404	A	98.6	Very high	98.5	Very high	7 Å²	7	56.9 Å²	56.9	6%	0.058	29%	0.292	C	S	.	.	H	α-helix	trans	-61.7	-49.2	175.5	0	0	0	0	0	111.2	I399 S400 E406 D408 H411 V473	I399-A404 HydrophobicContact CB-CB 4.28Å; I399-A404 HydrophobicContact CD1-CB 3.8Å; S400-A404 PolarHBondContact O-N 2.79Å; A404-E406 VanDerWaalsContact C-N 3.34Å; A404-E406 PolarHBondContact O-N 3.01Å; A404-D408 VanDerWaalsContact O-CB 3.26Å; A404-D408 WeakPolarHBondContact O-CB 3.33Å; A404-D408 PolarHBondContact O-N 2.99Å; A404-H411 PolarHBondContact O-CD2 3.06Å; A404-V473 HydrophobicContact CB-CG1 4.09Å
405	L	98.7	Very high	98.5	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-62	-39.2	-178	-179.1	59.7	0	0	0	113.1	F401 Y402 H411 L414 L415 L418 V428 L429 I469 V473	F401-L405 VanDerWaalsContact O-CB 3.24Å; F401-L405 WeakPolarHBondContact O-CB 3.24Å; F401-L405 PolarHBondContact O-N 2.67Å; Y402-L405 PolarHBondContact O-N 3.18Å; L405-H411 HydrophobicContact CD1-CB 4.19Å; L405-L414 HydrophobicContact CD1-CB 4.32Å; L405-L414 HydrophobicContact CD1-CD2 3.93Å; L405-L414 HydrophobicContact CD1-CG 3.94Å; L405-L415 HydrophobicContact CD1-CB 4.31Å; L405-L415 HydrophobicContact CG-CD1 4.39Å; L405-L418 HydrophobicContact CD2-CD2 3.89Å; L405-V428 HydrophobicContact CD2-CG1 3.7Å; L405-L429 HydrophobicContact CB-CD2 4.37Å; L405-L429 HydrophobicContact CD2-CD2 4.15Å; L405-L429 HydrophobicContact CG-CD2 4.38Å; L405-I469 HydrophobicContact CD2-CG2 3.86Å; L405-V473 HydrophobicContact CB-CG2 4.06Å; L405-V473 HydrophobicContact CD1-CG2 3.96Å; L405-V473 HydrophobicContact CD2-CG2 4.5Å; L405-V473 HydrophobicContact CG-CG2 4.39Å
406	E	98.1	Very high	98.5	Very high	114 Å²	114	58.7 Å²	58.7	53%	0.533	30%	0.297	S	S	.	.	H	α-helix	trans	-80.7	-37.9	-177.1	-176.3	175.2	-138.9	0	0	113	Y402 A404 L429	Y402-E406 WeakPolarHBondContact O-CB 3.12Å; Y402-E406 PolarHBondContact O-N 3.08Å; A404-E406 VanDerWaalsContact C-N 3.34Å; A404-E406 PolarHBondContact O-N 3.01Å; E406-L429 HydrophobicContact CB-CD2 4.07Å
407	S	97.9	Very high	98.5	Very high	88 Å²	88	57.2 Å²	57.2	62%	0.615	29%	0.289	S	S	*	.	H	α-helix	trans	-113.5	-24.5	-165.3	-58.6	0	0	0	0	114.9	E403	E403-S407 VanDerWaalsContact O-CB 3.3Å; E403-S407 WeakPolarHBondContact O-CB 3.45Å; E403-S407 PolarHBondContact O-N 2.82Å
408	D	98.3	Very high	98.4	Very high	63 Å²	63	55.2 Å²	55.2	34%	0.337	28%	0.28	S	S	.	.			trans	-89.1	122	-176.7	-165.8	-38.8	0	0	0	111.1	A404 L410 H411	A404-D408 VanDerWaalsContact O-CB 3.26Å; A404-D408 WeakPolarHBondContact O-CB 3.33Å; A404-D408 PolarHBondContact O-N 2.99Å; D408-L410 PolarHBondContact O-N 2.85Å; D408-L410 WeakPolarHBondContact OD1-CB 3.27Å; D408-L410 PolarHBondContact OD1-N 2.93Å; D408-H411 PolarHBondContact O-N 3.28Å
409	P	98.3	Very high	98.4	Very high	107 Å²	107	57.1 Å²	57.1	70%	0.695	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-60.3	-18	178.4	26.4	-36	0	0	0	113.8	H411 K412	P409-H411 PolarHBondContact O-N 2.84Å; P409-K412 VanDerWaalsContact O-CB 3.28Å; P409-K412 WeakPolarHBondContact O-CB 3.31Å; P409-K412 PolarHBondContact O-N 2.55Å
410	L	98.4	Very high	98.4	Very high	49 Å²	49	62.3 Å²	62.3	26%	0.257	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-54.6	-32.6	172.4	-179.2	63.1	0	0	0	112.3	D408 H480	D408-L410 PolarHBondContact O-N 2.85Å; D408-L410 WeakPolarHBondContact OD1-CB 3.27Å; D408-L410 PolarHBondContact OD1-N 2.93Å; L410-H480 HydrophobicContact CD1-CB 4.13Å; L410-H480 HydrophobicContact CD2-CB 3.64Å
411	H	98.5	Very high	98.4	Very high	5 Å²	5	64.9 Å²	64.9	2%	0.023	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-102.2	9.5	-175.5	-55.8	-60.4	0	0	0	113.6	A404 L405 D408 P409 E413 L414 L415 V473	A404-H411 PolarHBondContact O-CD2 3.06Å; L405-H411 HydrophobicContact CD1-CB 4.19Å; D408-H411 PolarHBondContact O-N 3.28Å; P409-H411 PolarHBondContact O-N 2.84Å; H411-E413 VanDerWaalsContact C-N 3.33Å; H411-E413 PolarHBondContact O-N 3.29Å; H411-L414 PolarHBondContact O-N 3.24Å; H411-L414 VanDerWaalsContact O-N 3.07Å; H411-L415 PolarHBondContact O-N 2.89Å; H411-V473 PolarHBondContact CE1-O 2.67Å; H411-V473 VanDerWaalsContact CE1-O 3.29Å
412	K	98.3	Very high	98.3	Very high	122 Å²	122	68.7 Å²	68.7	53%	0.53	35%	0.353	S	S	.	.	H	α-helix	trans	-53.2	-44.3	-175.5	177.9	177.9	168.4	179.5	0	113.6	P409 L414 L415 E416	P409-K412 VanDerWaalsContact O-CB 3.28Å; P409-K412 WeakPolarHBondContact O-CB 3.31Å; P409-K412 PolarHBondContact O-N 2.55Å; K412-L414 VanDerWaalsContact C-N 3.33Å; K412-L414 PolarHBondContact O-N 2.84Å; K412-L415 PolarHBondContact O-N 2.86Å; K412-E416 WeakPolarHBondContact CE-OE1 3.31Å; K412-E416 HydrophobicContact CG-CG 4.34Å; K412-E416 IonicContact NZ-OE1 3.68Å; K412-E416 WeakPolarHBondContact O-CB 3.33Å; K412-E416 WeakPolarHBondContact O-CG 3.09Å; K412-E416 PolarHBondContact O-N 2.8Å
413	E	98.3	Very high	98.3	Very high	126 Å²	126	67.4 Å²	67.4	59%	0.589	36%	0.357	S	S	*	.	H	α-helix	trans	-62.9	-39.9	-179.7	-169.4	-161.5	138.9	0	0	111.9	H411 E416 K417	H411-E413 VanDerWaalsContact C-N 3.33Å; H411-E413 PolarHBondContact O-N 3.29Å; E413-E416 PolarHBondContact O-N 2.86Å; E413-K417 PolarHBondContact O-N 3.01Å; E413-K417 IonicContact OE1-NZ 3.46Å; E413-K417 PolarHBondContact OE1-NZ 3.39Å
414	L	98.6	Very high	98.3	Very high	18 Å²	18	62.7 Å²	62.7	9%	0.094	34%	0.335	C	S	.	.	H	α-helix	trans	-68.7	-41.3	177.1	179	59.7	0	0	0	111	L405 H411 K412 K417 L418 I469 A472 V473 M532 L534	L405-L414 HydrophobicContact CD1-CB 4.32Å; L405-L414 HydrophobicContact CD1-CD2 3.93Å; L405-L414 HydrophobicContact CD1-CG 3.94Å; H411-L414 PolarHBondContact O-N 3.24Å; H411-L414 VanDerWaalsContact O-N 3.07Å; K412-L414 VanDerWaalsContact C-N 3.33Å; K412-L414 PolarHBondContact O-N 2.84Å; L414-K417 PolarHBondContact O-N 2.87Å; L414-L418 WeakPolarHBondContact O-CB 3.3Å; L414-L418 PolarHBondContact O-N 3.03Å; L414-I469 HydrophobicContact CD2-CG2 4.25Å; L414-A472 HydrophobicContact CD1-CB 4.44Å; L414-A472 HydrophobicContact CD2-CB 3.72Å; L414-V473 HydrophobicContact CD2-CG2 3.67Å; L414-M532 HydrophobicContact CD1-SD 3.91Å; L414-L534 HydrophobicContact CD1-CD2 3.66Å
415	L	98.5	Very high	98.3	Very high	37 Å²	37	64.3 Å²	64.3	19%	0.194	34%	0.341	C	S	.	.	H	α-helix	trans	-62	-43.4	175.3	-175	63.8	0	0	0	111.3	L405 H411 K412 K417 L418 V419	L405-L415 HydrophobicContact CD1-CB 4.31Å; L405-L415 HydrophobicContact CG-CD1 4.39Å; H411-L415 PolarHBondContact O-N 2.89Å; K412-L415 PolarHBondContact O-N 2.86Å; L415-K417 VanDerWaalsContact C-N 3.28Å; L415-K417 PolarHBondContact O-N 2.87Å; L415-L418 PolarHBondContact O-N 3.19Å; L415-V419 HydrophobicContact CD1-CG1 4.45Å; L415-V419 HydrophobicContact CG-CG1 4.39Å; L415-V419 WeakPolarHBondContact O-CG1 3.25Å; L415-V419 PolarHBondContact O-N 3.28Å
416	E	98.5	Very high	98.3	Very high	105 Å²	105	69.3 Å²	69.3	49%	0.491	37%	0.365	S	S	.	.	H	α-helix	trans	-60.7	-33.1	176.1	-76.6	175.9	171	0	0	113	K412 E413 V419	K412-E416 WeakPolarHBondContact CE-OE1 3.31Å; K412-E416 HydrophobicContact CG-CG 4.34Å; K412-E416 IonicContact NZ-OE1 3.68Å; K412-E416 WeakPolarHBondContact O-CB 3.33Å; K412-E416 WeakPolarHBondContact O-CG 3.09Å; K412-E416 PolarHBondContact O-N 2.8Å; E413-E416 PolarHBondContact O-N 2.86Å; E416-V419 WeakPolarHBondContact O-CG2 3.44Å
417	K	98.5	Very high	98.3	Very high	60 Å²	60	67.2 Å²	67.2	26%	0.261	35%	0.354	S	S	.	.	H	α-helix	trans	-69.7	-39.3	170.6	-71.5	170.8	177.8	171.4	0	111.8	E413 L414 L415 Y421 M532 S533	E413-K417 PolarHBondContact O-N 3.01Å; E413-K417 IonicContact OE1-NZ 3.46Å; E413-K417 PolarHBondContact OE1-NZ 3.39Å; L414-K417 PolarHBondContact O-N 2.87Å; L415-K417 VanDerWaalsContact C-N 3.28Å; L415-K417 PolarHBondContact O-N 2.87Å; K417-Y421 WeakPolarHBondContact O-CD2 3.29Å; K417-M532 HydrophobicContact CB-CE 4.39Å; K417-M532 HydrophobicContact CB-SD 4.11Å; K417-M532 HydrophobicContact CD-CB 4.41Å; K417-S533 PolarHBondContact NZ-O 3.32Å
418	L	98	Very high	98.3	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-80.1	-27	-172.9	-167	59.6	0	0	0	113.9	L405 L414 L415 L420 Y421 A424 Q425 V428 I469 C530 M532	L405-L418 HydrophobicContact CD2-CD2 3.89Å; L414-L418 WeakPolarHBondContact O-CB 3.3Å; L414-L418 PolarHBondContact O-N 3.03Å; L415-L418 PolarHBondContact O-N 3.19Å; L418-L420 PolarHBondContact O-N 2.79Å; L418-L420 VanDerWaalsContact O-N 3.16Å; L418-Y421 CarbonylContact O-C 3.43Å; L418-Y421 WeakPolarHBondContact O-CA 3.22Å; L418-Y421 PolarHBondContact O-N 2.74Å; L418-A424 HydrophobicContact CD1-CB 4.24Å; L418-Q425 HydrophobicContact CD2-CB 4.22Å; L418-Q425 HydrophobicContact CD2-CG 4.13Å; L418-Q425 HydrophobicContact CG-CB 3.86Å; L418-Q425 HydrophobicContact CG-CG 4.1Å; L418-V428 HydrophobicContact CD2-CB 4.42Å; L418-V428 HydrophobicContact CD2-CG2 4.46Å; L418-I469 HydrophobicContact CD1-CD1 3.59Å; L418-I469 HydrophobicContact CD2-CD1 4.09Å; L418-I469 HydrophobicContact CD2-CG2 4.23Å; L418-I469 HydrophobicContact CG-CD1 4.49Å; L418-C530 HydrophobicContact CD1-CB 4.23Å; L418-M532 HydrophobicContact CD1-CE 3.92Å
419	V	97.9	Very high	98.3	Very high	71 Å²	71	61.9 Å²	61.9	43%	0.43	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.2	176.2	-68.4	0	0	0	0	113.5	L415 E416 Y421	L415-V419 HydrophobicContact CD1-CG1 4.45Å; L415-V419 HydrophobicContact CG-CG1 4.39Å; L415-V419 WeakPolarHBondContact O-CG1 3.25Å; L415-V419 PolarHBondContact O-N 3.28Å; E416-V419 WeakPolarHBondContact O-CG2 3.44Å; V419-Y421 PolarHBondContact O-N 3.01Å
420	L	98.3	Very high	98.3	Very high	130 Å²	130	61.3 Å²	61.3	68%	0.681	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-12.8	171.1	-59.3	177.5	0	0	0	112.5	L418	L418-L420 PolarHBondContact O-N 2.79Å; L418-L420 VanDerWaalsContact O-N 3.16Å
421	Y	98.5	Very high	98.3	Very high	67 Å²	67	60.8 Å²	60.8	26%	0.263	30%	0.301	S	S	.	.			trans	-127.7	70.8	-176.8	-52.5	-72.8	0	0	0	111.1	K417 L418 V419 S423 A424 Q425 R529 C530 N531 M532	K417-Y421 WeakPolarHBondContact O-CD2 3.29Å; L418-Y421 CarbonylContact O-C 3.43Å; L418-Y421 WeakPolarHBondContact O-CA 3.22Å; L418-Y421 PolarHBondContact O-N 2.74Å; V419-Y421 PolarHBondContact O-N 3.01Å; Y421-S423 VanDerWaalsContact C-N 3.33Å; Y421-S423 PolarHBondContact O-N 3.14Å; Y421-A424 PolarHBondContact O-N 2.8Å; Y421-A424 VanDerWaalsContact O-N 3.08Å; Y421-Q425 PolarHBondContact O-N 2.93Å; Y421-R529 WeakPolarHBondContact CD1-O 3.48Å; Y421-C530 HydrophobicContact CD1-CB 4.15Å; Y421-C530 HydrophobicContact CD2-CB 3.6Å; Y421-C530 HydrophobicContact CE2-CB 4.2Å; Y421-C530 HydrophobicContact CG-CB 3.55Å; Y421-N531 WeakPolarHBondContact CE2-O 3.45Å; Y421-N531 PolarHBondContact OH-O 2.73Å; Y421-M532 HydrophobicContact CD2-CE 4.33Å; Y421-M532 HydrophobicContact CE2-CE 4.41Å
422	P	98.1	Very high	98.2	Very high	85 Å²	85	62.1 Å²	62.1	55%	0.552	31%	0.311	S	S	*	.	H	α-helix	trans	-57.2	-39.6	-170.2	-26.2	35	0	0	0	114.4	Q425 E426	P422-Q425 WeakPolarHBondContact O-CB 3.34Å; P422-Q425 PolarHBondContact O-N 3.01Å; P422-E426 WeakPolarHBondContact O-CB 3.4Å; P422-E426 PolarHBondContact O-N 2.8Å
423	S	98.3	Very high	98.2	Very high	60 Å²	60	56.6 Å²	56.6	42%	0.42	29%	0.288	S	S	.	.	H	α-helix	trans	-63.1	-45.5	177.2	-56.2	0	0	0	0	112	Y421 E426 K427 E527	Y421-S423 VanDerWaalsContact C-N 3.33Å; Y421-S423 PolarHBondContact O-N 3.14Å; S423-E426 PolarHBondContact O-N 3.33Å; S423-K427 WeakPolarHBondContact O-CG 3.31Å; S423-K427 PolarHBondContact O-N 2.99Å; S423-E527 WeakPolarHBondContact CB-O 3.38Å; S423-E527 PolarHBondContact OG-O 2.89Å
424	A	98.3	Very high	98.2	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.008	26%	0.261	C	S	.	.	H	α-helix	trans	-64.8	-43.2	177.6	0	0	0	0	0	110.8	L418 Y421 K427 V428 Y465 E528 C530	L418-A424 HydrophobicContact CD1-CB 4.24Å; Y421-A424 PolarHBondContact O-N 2.8Å; Y421-A424 VanDerWaalsContact O-N 3.08Å; A424-K427 PolarHBondContact O-N 3.33Å; A424-V428 WeakPolarHBondContact O-CG2 3.46Å; A424-V428 PolarHBondContact O-N 3.25Å; A424-Y465 HydrophobicContact CB-CD2 4.33Å; A424-Y465 HydrophobicContact CB-CE2 3.77Å; A424-E528 WeakPolarHBondContact CB-O 3.33Å; A424-C530 HydrophobicContact CB-CB 3.62Å
425	Q	98.4	Very high	98.2	Very high	41 Å²	41	50 Å²	50	19%	0.192	26%	0.257	C	S	.	.	H	α-helix	trans	-56	-51.6	176	-171.3	-174.8	7.9	0	0	111.5	L418 Y421 P422 K427 V428 L429	L418-Q425 HydrophobicContact CD2-CB 4.22Å; L418-Q425 HydrophobicContact CD2-CG 4.13Å; L418-Q425 HydrophobicContact CG-CB 3.86Å; L418-Q425 HydrophobicContact CG-CG 4.1Å; Y421-Q425 PolarHBondContact O-N 2.93Å; P422-Q425 WeakPolarHBondContact O-CB 3.34Å; P422-Q425 PolarHBondContact O-N 3.01Å; Q425-K427 VanDerWaalsContact C-N 3.3Å; Q425-K427 PolarHBondContact O-N 2.89Å; Q425-V428 PolarHBondContact O-N 3.39Å; Q425-V428 VanDerWaalsContact O-N 3.16Å; Q425-L429 HydrophobicContact CG-CD1 3.93Å; Q425-L429 HydrophobicContact CG-CG 4.37Å; Q425-L429 WeakPolarHBondContact O-CG 3.46Å; Q425-L429 PolarHBondContact O-N 2.83Å
426	E	98.4	Very high	98.2	Very high	107 Å²	107	48.2 Å²	48.2	50%	0.5	25%	0.247	S	C	.	.	H	α-helix	trans	-56.4	-46.5	-179.8	-169.5	-164.3	146.2	0	0	110.9	P422 S423 V428 L429 Q430	P422-E426 WeakPolarHBondContact O-CB 3.4Å; P422-E426 PolarHBondContact O-N 2.8Å; S423-E426 PolarHBondContact O-N 3.33Å; E426-V428 PolarHBondContact O-N 3.05Å; E426-L429 PolarHBondContact O-N 2.94Å; E426-Q430 WeakPolarHBondContact O-CB 3.16Å; E426-Q430 WeakPolarHBondContact O-CG 3.27Å; E426-Q430 PolarHBondContact O-N 2.85Å; E426-Q430 PolarHBondContact OE1-NE2 2.74Å
427	K	98.4	Very high	98.3	Very high	69 Å²	69	43.2 Å²	43.2	30%	0.3	22%	0.224	S	C	.	.	H	α-helix	trans	-63.1	-42.3	178.3	-65.2	-62.9	177.8	-171.7	0	112	S423 A424 Q425 Q430 R431 Y465 I466 E528	S423-K427 WeakPolarHBondContact O-CG 3.31Å; S423-K427 PolarHBondContact O-N 2.99Å; A424-K427 PolarHBondContact O-N 3.33Å; Q425-K427 VanDerWaalsContact C-N 3.3Å; Q425-K427 PolarHBondContact O-N 2.89Å; K427-Q430 PolarHBondContact O-N 3.13Å; K427-R431 WeakPolarHBondContact O-CG 3.29Å; K427-R431 PolarHBondContact O-NE 2.92Å; K427-R431 PolarHBondContact O-NH1 2.9Å; K427-Y465 WeakPolarHBondContact CB-OH 3.27Å; K427-I466 HydrophobicContact CB-CD1 4.29Å; K427-E528 VanDerWaalsContact CE-OE1 3.23Å; K427-E528 WeakPolarHBondContact CE-OE1 3.47Å; K427-E528 HydrophobicContact CG-CG 4.42Å
428	V	98.4	Very high	98.3	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.03	21%	0.211	C	C	.	.	H	α-helix	trans	-62	-46.8	176.7	172	0	0	0	0	110.9	L405 L418 A424 Q425 E426 Q430 R431 Y465 I466 I469	L405-V428 HydrophobicContact CD2-CG1 3.7Å; L418-V428 HydrophobicContact CD2-CB 4.42Å; L418-V428 HydrophobicContact CD2-CG2 4.46Å; A424-V428 WeakPolarHBondContact O-CG2 3.46Å; A424-V428 PolarHBondContact O-N 3.25Å; Q425-V428 PolarHBondContact O-N 3.39Å; Q425-V428 VanDerWaalsContact O-N 3.16Å; E426-V428 PolarHBondContact O-N 3.05Å; V428-Q430 VanDerWaalsContact C-N 3.25Å; V428-Q430 PolarHBondContact O-N 3.38Å; V428-R431 WeakPolarHBondContact O-CB 3.28Å; V428-R431 WeakPolarHBondContact O-CG 3.41Å; V428-R431 PolarHBondContact O-N 2.68Å; V428-Y465 HydrophobicContact CG2-CD2 4.48Å; V428-Y465 HydrophobicContact CG2-CE2 4.04Å; V428-I466 HydrophobicContact CG2-CB 4.5Å; V428-I466 HydrophobicContact CG2-CG1 4.09Å; V428-I466 HydrophobicContact CG2-CG2 4.48Å; V428-I469 HydrophobicContact CG1-CG2 3.86Å; V428-I469 HydrophobicContact CG2-CB 4.36Å; V428-I469 HydrophobicContact CG2-CD1 3.72Å; V428-I469 HydrophobicContact CG2-CG2 4.36Å
429	L	98.1	Very high	98.3	Very high	34 Å²	34	40.3 Å²	40.3	18%	0.178	21%	0.211	C	C	.	.	H	α-helix	trans	-69.9	-21.2	-176.8	-65	-179.6	0	0	0	113.4	Y402 L405 E406 Q425 E426 R431	Y402-L429 VanDerWaalsContact CB-O 3.24Å; Y402-L429 WeakPolarHBondContact CB-O 3.37Å; L405-L429 HydrophobicContact CB-CD2 4.37Å; L405-L429 HydrophobicContact CD2-CD2 4.15Å; L405-L429 HydrophobicContact CG-CD2 4.38Å; E406-L429 HydrophobicContact CB-CD2 4.07Å; Q425-L429 HydrophobicContact CG-CD1 3.93Å; Q425-L429 HydrophobicContact CG-CG 4.37Å; Q425-L429 WeakPolarHBondContact O-CG 3.46Å; Q425-L429 PolarHBondContact O-N 2.83Å; E426-L429 PolarHBondContact O-N 2.94Å; L429-R431 PolarHBondContact O-N 3.45Å
430	Q	97.6	Very high	98.4	Very high	95 Å²	95	37 Å²	37	44%	0.444	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-0.5	171.6	-74	170.3	2.5	0	0	113.9	E426 K427 V428	E426-Q430 WeakPolarHBondContact O-CB 3.16Å; E426-Q430 WeakPolarHBondContact O-CG 3.27Å; E426-Q430 PolarHBondContact O-N 2.85Å; E426-Q430 PolarHBondContact OE1-NE2 2.74Å; K427-Q430 PolarHBondContact O-N 3.13Å; V428-Q430 VanDerWaalsContact C-N 3.25Å; V428-Q430 PolarHBondContact O-N 3.38Å
431	R	97.6	Very high	98.4	Very high	39 Å²	39	32 Å²	32	15%	0.147	16%	0.164	C	C	.	.			trans	-88.3	134.4	179.1	-57.8	-56.3	83.1	98.3	-1	110.7	Y402 K427 V428 L429 Y458 I466	Y402-R431 WeakPolarHBondContact CD1-O 3.38Å; K427-R431 WeakPolarHBondContact O-CG 3.29Å; K427-R431 PolarHBondContact O-NE 2.92Å; K427-R431 PolarHBondContact O-NH1 2.9Å; V428-R431 WeakPolarHBondContact O-CB 3.28Å; V428-R431 WeakPolarHBondContact O-CG 3.41Å; V428-R431 PolarHBondContact O-N 2.68Å; L429-R431 PolarHBondContact O-N 3.45Å; R431-Y458 VanDerWaalsContact CD-CD2 3.47Å; R431-Y458 HydrophobicContact CG-CD2 4.45Å; R431-Y458 HydrophobicContact CG-CG 4.44Å; R431-I466 HydrophobicContact CG-CG2 3.81Å
432	S	96.7	Very high	98.4	Very high	32 Å²	32	29.2 Å²	29.2	22%	0.224	16%	0.155	C	C	.	.			trans	-90.8	0.3	178.8	53.7	0	0	0	0	114.1	K377 Q378	K377-S432 WeakPolarHBondContact CG-O 3.23Å; Q378-S432 PolarHBondContact NE2-OG 3.44Å
433	S	98.3	Very high	98.4	Very high	7 Å²	7	28.5 Å²	28.5	5%	0.049	15%	0.149	C	C	.	.			trans	-52.9	141.4	179.2	-65.4	0	0	0	0	112	F401 H456 Q470	F401-S433 WeakPolarHBondContact CD2-O 3.2Å; F401-S433 PolarHBondContact N-O 2.82Å; F401-S433 VanDerWaalsContact N-O 3.14Å; S433-H456 WeakPolarHBondContact CB-O 3.37Å; S433-H456 PolarHBondContact OG-O 3.21Å; S433-Q470 VanDerWaalsContact CB-NE2 3.33Å; S433-Q470 PolarHBondContact OG-NE2 2.94Å
434	V	98.8	Very high	98.4	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.024	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	159.7	-175.6	-66.6	0	0	0	0	110.6	R375 K377 L382 I399 T455	R375-V434 HydrophobicContact CG-CB 4.48Å; R375-V434 HydrophobicContact CG-CG2 4.26Å; K377-V434 HydrophobicContact CB-CG2 4.14Å; K377-V434 HydrophobicContact CG-CG1 4.5Å; K377-V434 HydrophobicContact CG-CG2 4.33Å; L382-V434 HydrophobicContact CD1-CG2 3.76Å; L382-V434 HydrophobicContact CG-CG2 4.09Å; I399-V434 CarbonylContact O-C 3.55Å; I399-V434 WeakPolarHBondContact O-CA 3.34Å; I399-V434 WeakPolarHBondContact O-CB 2.94Å; V434-T455 PolarHBondContact O-OG1 2.81Å
435	L	98.9	Very high	98.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.2	169.4	179.4	69.6	0	0	0	108.2	D398 I399 F401 V437 A453 A474 I478 F493	D398-L435 CarbonylContact C-O 3.45Å; D398-L435 VanDerWaalsContact CA-O 3.26Å; D398-L435 WeakPolarHBondContact CA-O 3.33Å; I399-L435 HydrophobicContact CD1-CD2 4.22Å; I399-L435 HydrophobicContact CG1-CB 3.83Å; I399-L435 HydrophobicContact CG1-CD2 4.18Å; I399-L435 PolarHBondContact N-O 2.96Å; I399-L435 PolarHBondContact O-N 2.82Å; F401-L435 HydrophobicContact CE1-CB 3.7Å; F401-L435 HydrophobicContact CE1-CD2 4.38Å; F401-L435 HydrophobicContact CZ-CB 3.75Å; L435-V437 HydrophobicContact CD2-CG2 3.77Å; L435-V437 HydrophobicContact CG-CG2 3.73Å; L435-A453 HydrophobicContact CD1-CB 4.24Å; L435-A474 HydrophobicContact CD1-CB 4.42Å; L435-A474 HydrophobicContact CD2-CB 4.02Å; L435-I478 HydrophobicContact CD2-CD1 4.33Å; L435-I478 HydrophobicContact CD2-CG1 4.13Å; L435-F493 HydrophobicContact CD1-CD2 4.49Å; L435-F493 HydrophobicContact CD1-CE2 3.47Å; L435-F493 VanDerWaalsContact CD1-CE2 3.47Å; L435-F493 HydrophobicContact CD1-CZ 3.6Å
436	Q	98.9	Very high	98.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	132.9	169.7	-179.5	176.7	59.9	0	0	108.7	V373 R375 L382 T384 D398 A453 N454	V373-Q436 PolarHBondContact O-NE2 3.39Å; V373-Q436 VanDerWaalsContact O-NE2 3.13Å; R375-Q436 HydrophobicContact CB-CB 4.41Å; R375-Q436 HydrophobicContact CB-CG 4.48Å; L382-Q436 HydrophobicContact CB-CB 4.17Å; L382-Q436 HydrophobicContact CD1-CB 3.93Å; T384-Q436 VanDerWaalsContact N-OE1 3.08Å; T384-Q436 PolarHBondContact OG1-OE1 3.19Å; D398-Q436 VanDerWaalsContact OD1-CA 3.29Å; D398-Q436 WeakPolarHBondContact OD1-CA 3.38Å; D398-Q436 WeakPolarHBondContact OD1-CG 3.39Å; Q436-A453 CarbonylContact O-C 3.49Å; Q436-A453 VanDerWaalsContact O-CA 3.28Å; Q436-A453 WeakPolarHBondContact O-CA 3.3Å; Q436-N454 HydrophobicContact CB-CB 4.29Å; Q436-N454 PolarHBondContact N-O 2.87Å; Q436-N454 PolarHBondContact O-N 2.95Å
437	V	98.9	Very high	98.3	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	120.4	179.2	-176.7	0	0	0	0	109.4	Q396 H397 D398 L435 C451 V452 A453 I478 V481	Q396-V437 CarbonylContact C-O 3.59Å; Q396-V437 VanDerWaalsContact CA-O 3.29Å; Q396-V437 WeakPolarHBondContact CA-O 3.28Å; H397-V437 HydrophobicContact CB-CB 4.07Å; H397-V437 HydrophobicContact CB-CG1 4.26Å; H397-V437 PolarHBondContact N-O 2.98Å; D398-V437 PolarHBondContact OD1-N 3.3Å; L435-V437 HydrophobicContact CD2-CG2 3.77Å; L435-V437 HydrophobicContact CG-CG2 3.73Å; V437-C451 VanDerWaalsContact CG1-SG 3.59Å; V437-V452 WeakPolarHBondContact CA-O 3.39Å; V437-A453 HydrophobicContact CG2-CB 4.37Å; V437-I478 HydrophobicContact CG2-CG1 4.48Å; V437-V481 HydrophobicContact CG1-CG1 4.16Å; V437-V481 HydrophobicContact CG1-CG2 4.49Å
438	S	98.9	Very high	98.3	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.1	179	-62.7	0	0	0	0	110.1	V452	S438-V452 PolarHBondContact N-O 2.94Å; S438-V452 PolarHBondContact O-N 3.43Å
439	V	98.9	Very high	98.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.4	172.2	-179.2	0	0	0	0	108.7	L394 S395 I450 V481 Y486 I489	L394-V439 HydrophobicContact CB-CG1 4.46Å; L394-V439 WeakPolarHBondContact CB-O 3.34Å; L394-V439 HydrophobicContact CD1-CG1 4.28Å; L394-V439 PolarHBondContact N-O 2.93Å; S395-V439 PolarHBondContact O-N 3.12Å; V439-I450 WeakPolarHBondContact CA-O 3.36Å; V439-V481 HydrophobicContact CG2-CG1 3.71Å; V439-Y486 HydrophobicContact CB-CE2 4.16Å; V439-Y486 HydrophobicContact CG1-CD1 4.35Å; V439-Y486 HydrophobicContact CG1-CD2 4.33Å; V439-Y486 HydrophobicContact CG1-CE1 4.01Å; V439-Y486 HydrophobicContact CG1-CE2 3.99Å; V439-Y486 HydrophobicContact CG2-CD2 4.12Å; V439-Y486 HydrophobicContact CG2-CE2 3.77Å; V439-I489 HydrophobicContact CG1-CD1 3.67Å; V439-I489 HydrophobicContact CG2-CD1 4.24Å
440	L	98.9	Very high	98.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	135.7	-177.1	-52.9	-178.6	0	0	0	110.6	V346 Y386 F391 L393 R449 I450 V452	V346-L440 HydrophobicContact CG2-CD1 4.13Å; Y386-L440 HydrophobicContact CD1-CD2 3.84Å; Y386-L440 HydrophobicContact CE1-CD2 4.37Å; Y386-L440 HydrophobicContact CG-CD1 4.34Å; Y386-L440 HydrophobicContact CG-CD2 3.96Å; F391-L440 HydrophobicContact CB-CB 4.24Å; F391-L440 HydrophobicContact CB-CD1 4.35Å; F391-L440 HydrophobicContact CD1-CB 3.92Å; F391-L440 HydrophobicContact CG-CB 4.29Å; F391-L440 HydrophobicContact CG-CD1 4.3Å; L393-L440 HydrophobicContact CB-CD2 4.38Å; L393-L440 HydrophobicContact CD1-CD2 3.88Å; L440-R449 CarbonylContact O-C 3.39Å; L440-R449 VanDerWaalsContact O-CA 3.23Å; L440-R449 WeakPolarHBondContact O-CA 3.18Å; L440-I450 HydrophobicContact CB-CG2 3.87Å; L440-I450 HydrophobicContact CD1-CG2 4.45Å; L440-I450 HydrophobicContact CG-CG2 4.49Å; L440-I450 PolarHBondContact N-O 2.82Å; L440-I450 PolarHBondContact O-N 3.25Å; L440-V452 HydrophobicContact CD1-CG2 3.81Å; L440-V452 HydrophobicContact CG-CG2 4.29Å
441	Q	98.8	Very high	98.4	Very high	25 Å²	25	32.7 Å²	32.7	12%	0.117	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	129.2	170.7	173.8	60.8	64.9	0	0	109.4	F391 S392 L394 T443 D445 S446 K448 R449	F391-Q441 CarbonylContact C-O 3.57Å; F391-Q441 VanDerWaalsContact CA-O 3.25Å; F391-Q441 WeakPolarHBondContact CA-O 3.45Å; S392-Q441 PolarHBondContact N-O 3.03Å; S392-Q441 PolarHBondContact O-N 3.17Å; L394-Q441 HydrophobicContact CD1-CB 3.77Å; L394-Q441 HydrophobicContact CD2-CB 3.72Å; L394-Q441 HydrophobicContact CD2-CG 4.41Å; L394-Q441 HydrophobicContact CG-CB 3.59Å; Q441-T443 PolarHBondContact O-N 3.4Å; Q441-D445 PolarHBondContact NE2-O 2.96Å; Q441-D445 VanDerWaalsContact NE2-O 3.15Å; Q441-S446 PolarHBondContact NE2-O 3.4Å; Q441-K448 PolarHBondContact NE2-O 2.65Å; Q441-R449 VanDerWaalsContact OE1-CG 3.27Å
442	S	98.7	Very high	98.5	Very high	10 Å²	10	30.9 Å²	30.9	7%	0.07	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	130.9	169.2	174.8	0	0	0	0	110.1	K390 K444 D445 K448	K390-S442 CarbonylContact O-C 3.49Å; K390-S442 WeakPolarHBondContact O-CA 3.32Å; S442-K444 PolarHBondContact OG-N 2.99Å; S442-K444 VanDerWaalsContact OG-N 3.12Å; S442-D445 WeakPolarHBondContact CB-O 3.39Å; S442-D445 PolarHBondContact OG-N 3.49Å; S442-D445 VanDerWaalsContact OG-N 3.13Å; S442-K448 WeakPolarHBondContact CB-O 3.35Å; S442-K448 PolarHBondContact N-O 2.86Å
443	T	98.4	Very high	98.6	Very high	69 Å²	69	29.3 Å²	29.3	42%	0.423	16%	0.161	S	C	.	.	S	Bend	trans	-81.6	-9.5	172.2	64.9	0	0	0	0	112	S389 K390 Q441	S389-T443 PolarHBondContact O-OG1 2.91Å; K390-T443 VanDerWaalsContact C-OG1 3.27Å; K390-T443 VanDerWaalsContact CA-OG1 3.31Å; K390-T443 WeakPolarHBondContact CA-OG1 3.43Å; K390-T443 PolarHBondContact O-N 2.85Å; K390-T443 PolarHBondContact O-OG1 3.47Å; Q441-T443 PolarHBondContact O-N 3.4Å
444	K	97.9	Very high	98.6	Very high	104 Å²	104	29 Å²	29	45%	0.452	16%	0.159	S	C	.	.	S	Bend	trans	-95.2	-26.1	179.4	-54.4	-52.5	-167.7	-160.2	0	112.7	D292 S389 S442	D292-K444 HydrophobicContact CB-CB 4.23Å; D292-K444 HydrophobicContact CB-CG 3.99Å; D292-K444 WeakPolarHBondContact OD1-CE 3.27Å; S389-K444 WeakPolarHBondContact O-CE 3.37Å; S389-K444 PolarHBondContact O-NZ 3.39Å; S442-K444 PolarHBondContact OG-N 2.99Å; S442-K444 VanDerWaalsContact OG-N 3.12Å
445	D	97.8	Very high	98.6	Very high	47 Å²	47	28.8 Å²	28.8	25%	0.251	16%	0.157	S	C	.	.			trans	-146.2	113	-179.2	-173.4	-19.4	0	0	0	110.2	Q441 S442 S447 K448	Q441-D445 PolarHBondContact NE2-O 2.96Å; Q441-D445 VanDerWaalsContact NE2-O 3.15Å; S442-D445 WeakPolarHBondContact CB-O 3.39Å; S442-D445 PolarHBondContact OG-N 3.49Å; S442-D445 VanDerWaalsContact OG-N 3.13Å; D445-S447 PolarHBondContact O-N 2.84Å; D445-S447 PolarHBondContact OD1-N 3.09Å; D445-S447 PolarHBondContact OD1-OG 3.13Å; D445-K448 HydrophobicContact CB-CB 4.15Å; D445-K448 HydrophobicContact CB-CD 4.04Å; D445-K448 HydrophobicContact CB-CG 4Å; D445-K448 PolarHBondContact O-N 3.12Å; D445-K448 VanDerWaalsContact O-N 3.08Å; D445-K448 IonicContact OD2-NZ 3.58Å; D445-K448 PolarHBondContact OD2-NZ 3.4Å
446	S	97.2	Very high	98.6	Very high	100 Å²	100	29.4 Å²	29.4	70%	0.699	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.7	-177.9	53.7	0	0	0	0	113.9	Q441	Q441-S446 PolarHBondContact NE2-O 3.4Å
447	S	97.6	Very high	98.6	Very high	96 Å²	96	29.5 Å²	29.5	67%	0.671	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-14.6	177.3	77.5	0	0	0	0	113.1	D445	D445-S447 PolarHBondContact O-N 2.84Å; D445-S447 PolarHBondContact OD1-N 3.09Å; D445-S447 PolarHBondContact OD1-OG 3.13Å
448	K	98.4	Very high	98.6	Very high	69 Å²	69	31.7 Å²	31.7	30%	0.3	17%	0.169	S	C	.	.			trans	-93	117.9	-177	-70.2	-172.5	174	88.2	0	111.5	Q441 S442 D445 W608	Q441-K448 PolarHBondContact NE2-O 2.65Å; S442-K448 WeakPolarHBondContact CB-O 3.35Å; S442-K448 PolarHBondContact N-O 2.86Å; D445-K448 HydrophobicContact CB-CB 4.15Å; D445-K448 HydrophobicContact CB-CD 4.04Å; D445-K448 HydrophobicContact CB-CG 4Å; D445-K448 PolarHBondContact O-N 3.12Å; D445-K448 VanDerWaalsContact O-N 3.08Å; D445-K448 IonicContact OD2-NZ 3.58Å; D445-K448 PolarHBondContact OD2-NZ 3.4Å; K448-W608 HydrophobicContact CB-CH2 4.05Å; K448-W608 HydrophobicContact CB-CZ2 4.14Å; K448-W608 HydrophobicContact CB-CZ3 4.35Å; K448-W608 HydrophobicContact CD-CD2 3.73Å; K448-W608 HydrophobicContact CD-CE3 4.16Å; K448-W608 HydrophobicContact CD-CG 3.88Å; K448-W608 HydrophobicContact CD-CZ2 4.3Å; K448-W608 HydrophobicContact CG-CD2 4.46Å; K448-W608 HydrophobicContact CG-CE3 4.44Å; K448-W608 HydrophobicContact CG-CZ3 4.42Å
449	R	98.8	Very high	98.5	Very high	85 Å²	85	39.6 Å²	39.6	32%	0.321	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	151	170.8	-66.5	169.9	-164.7	142.6	5	108.8	L394 L440 Q441 I489 P490 W608	L394-R449 HydrophobicContact CD1-CG 4.16Å; L440-R449 CarbonylContact O-C 3.39Å; L440-R449 VanDerWaalsContact O-CA 3.23Å; L440-R449 WeakPolarHBondContact O-CA 3.18Å; Q441-R449 VanDerWaalsContact OE1-CG 3.27Å; R449-I489 HydrophobicContact CB-CB 4.4Å; R449-I489 HydrophobicContact CB-CD1 4.48Å; R449-I489 HydrophobicContact CB-CG2 3.82Å; R449-P490 WeakPolarHBondContact O-CD 3.38Å; R449-W608 WeakPolarHBondContact O-CH2 3.45Å
450	I	98.9	Very high	98.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	136.2	179.9	-166	158.1	0	0	0	110.1	I295 F391 V439 L440 V452 P490 I492 L570 W608	I295-I450 HydrophobicContact CD1-CD1 3.62Å; F391-I450 HydrophobicContact CE1-CG2 4.09Å; V439-I450 WeakPolarHBondContact CA-O 3.36Å; L440-I450 HydrophobicContact CB-CG2 3.87Å; L440-I450 HydrophobicContact CD1-CG2 4.45Å; L440-I450 HydrophobicContact CG-CG2 4.49Å; L440-I450 PolarHBondContact N-O 2.82Å; L440-I450 PolarHBondContact O-N 3.25Å; I450-V452 HydrophobicContact CG2-CG2 4.13Å; I450-P490 HydrophobicContact CG1-CG 4.42Å; I450-I492 HydrophobicContact CD1-CD1 3.36Å; I450-I492 HydrophobicContact CD1-CG1 3.76Å; I450-I492 HydrophobicContact CG1-CD1 4.29Å; I450-I492 HydrophobicContact CG1-CG1 4.37Å; I450-L570 HydrophobicContact CD1-CD1 4.07Å; I450-L570 HydrophobicContact CD1-CD2 4.45Å; I450-W608 HydrophobicContact CB-CH2 3.81Å; I450-W608 HydrophobicContact CB-CZ2 4.31Å; I450-W608 HydrophobicContact CD1-CH2 4.13Å; I450-W608 HydrophobicContact CD1-CZ2 4.27Å; I450-W608 HydrophobicContact CG1-CH2 4.4Å
451	C	98.9	Very high	98.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	112.2	171.8	-176.5	0	0	0	0	108	V437 I489 P490 V491 I492	V437-C451 VanDerWaalsContact CG1-SG 3.59Å; C451-I489 HydrophobicContact CB-CD1 3.92Å; C451-I489 HydrophobicContact CB-CG1 4.21Å; C451-P490 PolarHBondContact N-O 2.83Å; C451-V491 HydrophobicContact CB-CG2 4.11Å; C451-V491 WeakPolarHBondContact O-CA 3.47Å; C451-I492 PolarHBondContact O-N 2.66Å
452	V	98.9	Very high	98.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	115.1	176.7	-178.8	0	0	0	0	108.3	V346 C348 T384 V437 S438 L440 I450 I492	V346-V452 HydrophobicContact CG1-CG1 3.73Å; V346-V452 HydrophobicContact CG1-CG2 4.18Å; C348-V452 VanDerWaalsContact SG-CG1 3.56Å; T384-V452 HydrophobicContact CG2-CG1 4.07Å; V437-V452 WeakPolarHBondContact CA-O 3.39Å; S438-V452 PolarHBondContact N-O 2.94Å; S438-V452 PolarHBondContact O-N 3.43Å; L440-V452 HydrophobicContact CD1-CG2 3.81Å; L440-V452 HydrophobicContact CG-CG2 4.29Å; I450-V452 HydrophobicContact CG2-CG2 4.13Å; V452-I492 CarbonylContact C-O 3.55Å; V452-I492 WeakPolarHBondContact CA-O 3.29Å
453	A	98.9	Very high	98.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	145.6	174.8	0	0	0	0	0	110.8	L435 Q436 V437 I478 I492 F493 C494	L435-A453 HydrophobicContact CD1-CB 4.24Å; Q436-A453 CarbonylContact O-C 3.49Å; Q436-A453 VanDerWaalsContact O-CA 3.28Å; Q436-A453 WeakPolarHBondContact O-CA 3.3Å; V437-A453 HydrophobicContact CG2-CB 4.37Å; A453-I478 HydrophobicContact CB-CD1 3.58Å; A453-I478 HydrophobicContact CB-CG1 4.06Å; A453-I492 PolarHBondContact N-O 3.22Å; A453-F493 HydrophobicContact CB-CB 4.19Å; A453-F493 HydrophobicContact CB-CD2 3.43Å; A453-F493 VanDerWaalsContact CB-CD2 3.43Å; A453-F493 HydrophobicContact CB-CE2 3.93Å; A453-F493 HydrophobicContact CB-CG 3.9Å; A453-F493 WeakPolarHBondContact O-CA 3.47Å; A453-C494 PolarHBondContact O-N 3.14Å
454	N	98.9	Very high	98.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	135.9	178	-178.1	16.2	0	0	0	109.6	C348 L349 Q350 L382 A383 Q436 C494	C348-N454 HydrophobicContact CB-CB 3.99Å; L349-N454 PolarHBondContact N-ND2 3.12Å; L349-N454 PolarHBondContact O-ND2 2.95Å; Q350-N454 PolarHBondContact NE2-OD1 3.25Å; L382-N454 VanDerWaalsContact CD1-O 3.29Å; L382-N454 WeakPolarHBondContact CD1-O 3.41Å; A383-N454 PolarHBondContact O-ND2 2.91Å; A383-N454 VanDerWaalsContact O-ND2 3.14Å; Q436-N454 HydrophobicContact CB-CB 4.29Å; Q436-N454 PolarHBondContact N-O 2.87Å; Q436-N454 PolarHBondContact O-N 2.95Å; N454-C494 VanDerWaalsContact CA-O 3.29Å; N454-C494 WeakPolarHBondContact CA-O 3.46Å
455	T	98.9	Very high	98.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	164.8	176.4	-162.5	0	0	0	0	113.4	Q350 F401 V434 L457 F493 C494 G495 D496 F497	Q350-T455 VanDerWaalsContact CG-O 3.28Å; Q350-T455 WeakPolarHBondContact CG-O 3.39Å; F401-T455 WeakPolarHBondContact CE2-OG1 3.39Å; F401-T455 WeakPolarHBondContact CZ-OG1 3.22Å; V434-T455 PolarHBondContact O-OG1 2.81Å; T455-L457 HydrophobicContact CG2-CD2 3.82Å; T455-L457 HydrophobicContact CG2-CG 4.02Å; T455-F493 HydrophobicContact CG2-CE2 3.61Å; T455-F493 HydrophobicContact CG2-CZ 3.76Å; T455-C494 PolarHBondContact N-O 3.41Å; T455-G495 WeakPolarHBondContact O-CA 3.4Å; T455-D496 PolarHBondContact O-N 3.14Å; T455-D496 VanDerWaalsContact O-N 3.15Å; T455-F497 HydrophobicContact CG2-CD1 4.1Å; T455-F497 HydrophobicContact CG2-CE1 3.79Å; T455-F497 HydrophobicContact CG2-CZ 4.4Å
456	H	98.8	Very high	98.3	Very high	12 Å²	12	41.1 Å²	41.1	6%	0.056	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	102.8	165	-175.4	177	0	0	0	107.6	Q350 E351 L382 S433 D496 N498	Q350-H456 HydrophobicContact CB-CB 4.15Å; Q350-H456 HydrophobicContact CG-CB 4.07Å; E351-H456 IonicContact OE1-CE1 2.77Å; E351-H456 PolarHBondContact OE1-CE1 2.87Å; L382-H456 HydrophobicContact CD2-CB 3.91Å; S433-H456 WeakPolarHBondContact CB-O 3.37Å; S433-H456 PolarHBondContact OG-O 3.21Å; H456-D496 WeakPolarHBondContact CA-O 3.47Å; H456-D496 IonicContact CD2-OD2 2.89Å; H456-D496 IonicContact NE2-OD2 3.92Å; H456-N498 PolarHBondContact CD2-ND2 2.94Å; H456-N498 PolarHBondContact NE2-ND2 2.96Å; H456-N498 VanDerWaalsContact NE2-ND2 3.18Å
457	L	98.8	Very high	98.3	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	18%	0.177	C	C	.	.			trans	-75.3	170.4	-176.4	-63	-167.3	0	0	0	112.5	F401 T455 W459 R467 Q470 M471 D496 F497 N498 M505	F401-L457 HydrophobicContact CE2-CD2 3.74Å; F401-L457 HydrophobicContact CZ-CD2 3.95Å; T455-L457 HydrophobicContact CG2-CD2 3.82Å; T455-L457 HydrophobicContact CG2-CG 4.02Å; L457-W459 PolarHBondContact O-N 3.28Å; L457-R467 HydrophobicContact CB-CG 4.15Å; L457-R467 HydrophobicContact CD1-CB 4.22Å; L457-R467 HydrophobicContact CD1-CG 4.45Å; L457-Q470 HydrophobicContact CD2-CB 3.92Å; L457-M471 HydrophobicContact CD1-CE 4.19Å; L457-D496 PolarHBondContact N-O 3.42Å; L457-F497 HydrophobicContact CD1-CB 4.21Å; L457-F497 HydrophobicContact CD1-CD1 3.88Å; L457-F497 HydrophobicContact CG-CD1 4.2Å; L457-N498 PolarHBondContact O-ND2 3.23Å; L457-M505 HydrophobicContact CD1-CE 3.95Å
458	Y	98.5	Very high	98.4	Very high	47 Å²	47	32.3 Å²	32.3	18%	0.184	15%	0.145	C	C	.	.			trans	-62.6	124.3	-177.9	-177.3	-124.9	0	0	0	113.1	R431 H460 I466 R467	R431-Y458 VanDerWaalsContact CD-CD2 3.47Å; R431-Y458 HydrophobicContact CG-CD2 4.45Å; R431-Y458 HydrophobicContact CG-CG 4.44Å; Y458-H460 HydrophobicContact CD1-CB 4.13Å; Y458-H460 HydrophobicContact CE1-CB 3.38Å; Y458-H460 HydrophobicContact CE2-CB 4.23Å; Y458-H460 VanDerWaalsContact CZ-CB 3.43Å; Y458-H460 WeakPolarHBondContact OH-CB 3.32Å; Y458-I466 HydrophobicContact CD1-CB 4.09Å; Y458-I466 HydrophobicContact CD1-CD1 3.73Å; Y458-I466 HydrophobicContact CD1-CG1 4.49Å; Y458-I466 HydrophobicContact CD1-CG2 3.88Å; Y458-I466 HydrophobicContact CE1-CD1 3.67Å; Y458-I466 HydrophobicContact CG-CG2 4.13Å; Y458-R467 VanDerWaalsContact O-CD 3.29Å; Y458-R467 WeakPolarHBondContact O-CD 3.29Å; Y458-R467 WeakPolarHBondContact O-CG 3.11Å; Y458-R467 PolarHBondContact O-NH1 3.37Å
459	W	96.4	Very high	98.4	Very high	166 Å²	166	29 Å²	29	63%	0.629	13%	0.131	S	C	*	.			trans	-74.4	-26.4	-168.4	69	-93.5	0	0	0	115.8	L457	L457-W459 PolarHBondContact O-N 3.28Å
460	H	97.1	Very high	98.4	Very high	60 Å²	60	25 Å²	25	28%	0.278	12%	0.116	S	C	.	.			trans	-62.3	132.8	-165.8	-171.2	-92.4	0	0	0	111.5	Y458 K462 G463 R467	Y458-H460 HydrophobicContact CD1-CB 4.13Å; Y458-H460 HydrophobicContact CE1-CB 3.38Å; Y458-H460 HydrophobicContact CE2-CB 4.23Å; Y458-H460 VanDerWaalsContact CZ-CB 3.43Å; Y458-H460 WeakPolarHBondContact OH-CB 3.32Å; H460-K462 VanDerWaalsContact C-N 3.26Å; H460-K462 PolarHBondContact ND1-N 2.99Å; H460-K462 PolarHBondContact O-N 3.44Å; H460-K462 VanDerWaalsContact O-N 3.14Å; H460-G463 WeakPolarHBondContact O-CA 3.24Å; H460-G463 PolarHBondContact O-N 2.9Å; H460-R467 PolarHBondContact O-NH1 2.96Å
461	P	96.2	Very high	98.4	Very high	101 Å²	101	25 Å²	25	66%	0.656	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-39.6	-175.2	-29.9	35.8	0	0	0	113.9	G463 R467	P461-G463 PolarHBondContact O-N 2.86Å; P461-R467 PolarHBondContact O-NH2 3.3Å
462	K	97.5	Very high	98.4	Very high	119 Å²	119	25.6 Å²	25.6	52%	0.517	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	4.3	177.1	-57.3	-172.1	177.2	-176.9	0	114.9	H460 G464 S523 N524	H460-K462 VanDerWaalsContact C-N 3.26Å; H460-K462 PolarHBondContact ND1-N 2.99Å; H460-K462 PolarHBondContact O-N 3.44Å; H460-K462 VanDerWaalsContact O-N 3.14Å; K462-G464 VanDerWaalsContact C-N 3.29Å; K462-G464 PolarHBondContact O-N 2.84Å; K462-S523 WeakPolarHBondContact CB-O 3.48Å; K462-S523 CarbonylContact O-C 3.58Å; K462-S523 WeakPolarHBondContact O-CB 3.18Å; K462-S523 PolarHBondContact O-OG 2.9Å; K462-N524 HydrophobicContact CB-CB 4.09Å; K462-N524 VanDerWaalsContact CB-OD1 3.32Å; K462-N524 WeakPolarHBondContact CB-OD1 3.25Å; K462-N524 WeakPolarHBondContact CD-OD1 3.39Å
463	G	98.2	Very high	98.4	Very high	2 Å²	2	25.7 Å²	25.7	2%	0.021	12%	0.121	C	C	.	.			trans	-86	25.2	-175.8	0	0	0	0	0	115.5	H460 P461 Y465 I466 R467	H460-G463 WeakPolarHBondContact O-CA 3.24Å; H460-G463 PolarHBondContact O-N 2.9Å; P461-G463 PolarHBondContact O-N 2.86Å; G463-Y465 PolarHBondContact O-N 3.15Å; G463-I466 WeakPolarHBondContact O-CB 3.33Å; G463-I466 PolarHBondContact O-N 3.21Å; G463-I466 VanDerWaalsContact O-N 3.16Å; G463-R467 PolarHBondContact O-N 2.89Å
464	G	98.6	Very high	98.4	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.01	12%	0.121	C	C	.	.	H	α-helix	trans	-53.6	-52.4	-177.2	0	0	0	0	0	113.4	K462 I466 R467 L468 S523	K462-G464 VanDerWaalsContact C-N 3.29Å; K462-G464 PolarHBondContact O-N 2.84Å; G464-I466 VanDerWaalsContact C-N 3.28Å; G464-I466 PolarHBondContact O-N 3Å; G464-R467 PolarHBondContact O-N 3.18Å; G464-L468 PolarHBondContact O-N 3.21Å; G464-S523 WeakPolarHBondContact CA-OG 3.38Å; G464-S523 PolarHBondContact N-OG 2.7Å
465	Y	98.8	Very high	98.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.2	-34.7	177.8	80.2	-90.9	0	0	0	113.3	A424 K427 V428 G463 L468 I469 D520 S523 N524 E528 C530	A424-Y465 HydrophobicContact CB-CD2 4.33Å; A424-Y465 HydrophobicContact CB-CE2 3.77Å; K427-Y465 WeakPolarHBondContact CB-OH 3.27Å; V428-Y465 HydrophobicContact CG2-CD2 4.48Å; V428-Y465 HydrophobicContact CG2-CE2 4.04Å; G463-Y465 PolarHBondContact O-N 3.15Å; Y465-L468 WeakPolarHBondContact O-CB 3.39Å; Y465-L468 PolarHBondContact O-N 2.84Å; Y465-I469 HydrophobicContact CD2-CD1 4.06Å; Y465-I469 WeakPolarHBondContact O-CG1 3.45Å; Y465-I469 PolarHBondContact O-N 3.28Å; Y465-D520 WeakPolarHBondContact CB-O 3.42Å; Y465-D520 PolarHBondContact N-O 3.29Å; Y465-S523 WeakPolarHBondContact CD1-OG 3.48Å; Y465-S523 PolarHBondContact N-OG 3.2Å; Y465-N524 HydrophobicContact CE1-CB 4.17Å; Y465-E528 HydrophobicContact CE1-CB 4Å; Y465-E528 PolarHBondContact OH-OE2 2.77Å; Y465-C530 WeakPolarHBondContact CD2-SG 3.38Å
466	I	98.9	Very high	98.4	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.015	13%	0.134	C	C	.	.	H	α-helix	trans	-65.4	-46.8	177.9	-64.5	177.3	0	0	0	109.5	K427 V428 R431 Y458 G463 G464 L468 I469 Q470	K427-I466 HydrophobicContact CB-CD1 4.29Å; V428-I466 HydrophobicContact CG2-CB 4.5Å; V428-I466 HydrophobicContact CG2-CG1 4.09Å; V428-I466 HydrophobicContact CG2-CG2 4.48Å; R431-I466 HydrophobicContact CG-CG2 3.81Å; Y458-I466 HydrophobicContact CD1-CB 4.09Å; Y458-I466 HydrophobicContact CD1-CD1 3.73Å; Y458-I466 HydrophobicContact CD1-CG1 4.49Å; Y458-I466 HydrophobicContact CD1-CG2 3.88Å; Y458-I466 HydrophobicContact CE1-CD1 3.67Å; Y458-I466 HydrophobicContact CG-CG2 4.13Å; G463-I466 WeakPolarHBondContact O-CB 3.33Å; G463-I466 PolarHBondContact O-N 3.21Å; G463-I466 VanDerWaalsContact O-N 3.16Å; G464-I466 VanDerWaalsContact C-N 3.28Å; G464-I466 PolarHBondContact O-N 3Å; I466-L468 VanDerWaalsContact C-N 3.3Å; I466-L468 PolarHBondContact O-N 3.35Å; I466-I469 PolarHBondContact O-N 2.94Å; I466-Q470 HydrophobicContact CG2-CG 4.32Å; I466-Q470 WeakPolarHBondContact O-CB 3.49Å; I466-Q470 VanDerWaalsContact O-CG 3.29Å; I466-Q470 WeakPolarHBondContact O-CG 3.18Å; I466-Q470 PolarHBondContact O-N 3.04Å
467	R	98.9	Very high	98.4	Very high	12 Å²	12	27.4 Å²	27.4	5%	0.045	13%	0.134	C	C	.	.	H	α-helix	trans	-63.9	-36	178.2	-68.5	-170.8	-71.4	-85.4	1.4	112.1	L457 Y458 H460 P461 G463 G464 M471 F497 N498 S499 M505	L457-R467 HydrophobicContact CB-CG 4.15Å; L457-R467 HydrophobicContact CD1-CB 4.22Å; L457-R467 HydrophobicContact CD1-CG 4.45Å; Y458-R467 VanDerWaalsContact O-CD 3.29Å; Y458-R467 WeakPolarHBondContact O-CD 3.29Å; Y458-R467 WeakPolarHBondContact O-CG 3.11Å; Y458-R467 PolarHBondContact O-NH1 3.37Å; H460-R467 PolarHBondContact O-NH1 2.96Å; P461-R467 PolarHBondContact O-NH2 3.3Å; G463-R467 PolarHBondContact O-N 2.89Å; G464-R467 PolarHBondContact O-N 3.18Å; R467-M471 VanDerWaalsContact O-CB 3.25Å; R467-M471 WeakPolarHBondContact O-CB 3.29Å; R467-M471 PolarHBondContact O-N 3.18Å; R467-F497 VanDerWaalsContact CD-O 3.22Å; R467-F497 WeakPolarHBondContact CD-O 3.26Å; R467-N498 WeakPolarHBondContact CD-O 3.32Å; R467-N498 PolarHBondContact NE-O 3.5Å; R467-S499 WeakPolarHBondContact CD-OG 3.45Å; R467-S499 PolarHBondContact NE-OG 3.04Å; R467-S499 VanDerWaalsContact NE-OG 3.13Å; R467-M505 HydrophobicContact CB-CB 4.48Å; R467-M505 HydrophobicContact CB-CG 4.4Å
468	L	98.9	Very high	98.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.1	-49.1	172.3	-89.9	165.1	0	0	0	112.4	G464 Y465 I466 M471 A472 M505 F508 I514 D520 W521	G464-L468 PolarHBondContact O-N 3.21Å; Y465-L468 WeakPolarHBondContact O-CB 3.39Å; Y465-L468 PolarHBondContact O-N 2.84Å; I466-L468 VanDerWaalsContact C-N 3.3Å; I466-L468 PolarHBondContact O-N 3.35Å; L468-M471 PolarHBondContact O-N 3.15Å; L468-A472 WeakPolarHBondContact O-CB 3.42Å; L468-A472 PolarHBondContact O-N 3.23Å; L468-M505 HydrophobicContact CD2-CB 4.36Å; L468-M505 HydrophobicContact CG-CB 4.25Å; L468-F508 HydrophobicContact CD2-CB 3.91Å; L468-F508 HydrophobicContact CD2-CD1 4.46Å; L468-F508 HydrophobicContact CD2-CG 4.36Å; L468-I514 HydrophobicContact CD1-CD1 3.58Å; L468-I514 HydrophobicContact CD2-CD1 3.49Å; L468-I514 VanDerWaalsContact CD2-CD1 3.49Å; L468-I514 HydrophobicContact CD2-CG2 4.23Å; L468-I514 HydrophobicContact CG-CD1 4.18Å; L468-D520 HydrophobicContact CD1-CB 3.84Å; L468-W521 HydrophobicContact CB-CH2 3.77Å; L468-W521 HydrophobicContact CB-CZ3 3.91Å; L468-W521 HydrophobicContact CD1-CD2 4.32Å; L468-W521 HydrophobicContact CD1-CE3 4.25Å; L468-W521 HydrophobicContact CD1-CH2 3.95Å; L468-W521 HydrophobicContact CD1-CZ2 4.04Å; L468-W521 HydrophobicContact CD1-CZ3 4.07Å; L468-W521 HydrophobicContact CD2-CH2 4.49Å; L468-W521 HydrophobicContact CG-CH2 4.3Å
469	I	98.9	Very high	98.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-67.5	-42.3	179.8	-65.8	162.5	0	0	0	110.8	L405 L414 L418 V428 Y465 I466 M471 A472 V473 W521	L405-I469 HydrophobicContact CD2-CG2 3.86Å; L414-I469 HydrophobicContact CD2-CG2 4.25Å; L418-I469 HydrophobicContact CD1-CD1 3.59Å; L418-I469 HydrophobicContact CD2-CD1 4.09Å; L418-I469 HydrophobicContact CD2-CG2 4.23Å; L418-I469 HydrophobicContact CG-CD1 4.49Å; V428-I469 HydrophobicContact CG1-CG2 3.86Å; V428-I469 HydrophobicContact CG2-CB 4.36Å; V428-I469 HydrophobicContact CG2-CD1 3.72Å; V428-I469 HydrophobicContact CG2-CG2 4.36Å; Y465-I469 HydrophobicContact CD2-CD1 4.06Å; Y465-I469 WeakPolarHBondContact O-CG1 3.45Å; Y465-I469 PolarHBondContact O-N 3.28Å; I466-I469 PolarHBondContact O-N 2.94Å; I469-M471 VanDerWaalsContact C-N 3.32Å; I469-M471 PolarHBondContact O-N 3.08Å; I469-A472 WeakPolarHBondContact O-CB 3.09Å; I469-A472 PolarHBondContact O-N 3.15Å; I469-V473 WeakPolarHBondContact O-CG2 3.33Å; I469-V473 PolarHBondContact O-N 2.67Å; I469-W521 HydrophobicContact CD1-CZ3 4.46Å; I469-W521 HydrophobicContact CG1-CZ3 4.12Å
470	Q	98.9	Very high	98.6	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-58.7	-43.8	174	-72.4	178.4	-28.3	0	0	111.7	F401 S433 L457 I466 V473 A474	F401-Q470 HydrophobicContact CB-CG 4.33Å; F401-Q470 HydrophobicContact CD2-CB 4.1Å; F401-Q470 HydrophobicContact CD2-CG 3.92Å; F401-Q470 HydrophobicContact CE2-CB 4.26Å; F401-Q470 HydrophobicContact CE2-CG 4.48Å; F401-Q470 HydrophobicContact CG-CB 4.3Å; F401-Q470 HydrophobicContact CG-CG 4.18Å; S433-Q470 VanDerWaalsContact CB-NE2 3.33Å; S433-Q470 PolarHBondContact OG-NE2 2.94Å; L457-Q470 HydrophobicContact CD2-CB 3.92Å; I466-Q470 HydrophobicContact CG2-CG 4.32Å; I466-Q470 WeakPolarHBondContact O-CB 3.49Å; I466-Q470 VanDerWaalsContact O-CG 3.29Å; I466-Q470 WeakPolarHBondContact O-CG 3.18Å; I466-Q470 PolarHBondContact O-N 3.04Å; Q470-V473 PolarHBondContact O-N 2.94Å; Q470-A474 WeakPolarHBondContact O-CB 3.42Å; Q470-A474 PolarHBondContact O-N 3.17Å
471	M	98.9	Very high	98.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-64.7	-38.9	176.8	-177.4	46.5	60.3	0	0	112	L457 R467 L468 I469 A474 L475 F493 F497 M505 F508 V509	L457-M471 HydrophobicContact CD1-CE 4.19Å; R467-M471 VanDerWaalsContact O-CB 3.25Å; R467-M471 WeakPolarHBondContact O-CB 3.29Å; R467-M471 PolarHBondContact O-N 3.18Å; L468-M471 PolarHBondContact O-N 3.15Å; I469-M471 VanDerWaalsContact C-N 3.32Å; I469-M471 PolarHBondContact O-N 3.08Å; M471-A474 WeakPolarHBondContact O-CB 3.36Å; M471-A474 PolarHBondContact O-N 3.18Å; M471-A474 HydrophobicContact SD-CB 4.41Å; M471-L475 HydrophobicContact CG-CD1 4.07Å; M471-L475 HydrophobicContact CG-CG 4.36Å; M471-L475 WeakPolarHBondContact O-CG 3.35Å; M471-L475 PolarHBondContact O-N 3.03Å; M471-L475 HydrophobicContact SD-CD1 3.8Å; M471-L475 HydrophobicContact SD-CD2 4.01Å; M471-L475 HydrophobicContact SD-CG 3.6Å; M471-L475 VanDerWaalsContact SD-CG 3.6Å; M471-F493 HydrophobicContact CE-CD1 4.46Å; M471-F493 HydrophobicContact CE-CE1 3.57Å; M471-F493 HydrophobicContact CE-CZ 3.96Å; M471-F493 HydrophobicContact SD-CE1 3.74Å; M471-F497 HydrophobicContact CE-CD1 3.46Å; M471-F497 VanDerWaalsContact CE-CD1 3.46Å; M471-F497 HydrophobicContact CE-CE1 3.34Å; M471-M505 HydrophobicContact CB-CE 4.28Å; M471-M505 HydrophobicContact CB-CG 4.15Å; M471-M505 HydrophobicContact CE-CE 3.08Å; M471-M505 HydrophobicContact CG-CE 3.94Å; M471-M505 HydrophobicContact CG-CG 4.38Å; M471-M505 HydrophobicContact SD-CE 4.14Å; M471-F508 HydrophobicContact CB-CD1 4.45Å; M471-F508 HydrophobicContact CG-CD1 3.87Å; M471-F508 HydrophobicContact CG-CE1 4.06Å; M471-V509 HydrophobicContact CE-CG2 4.29Å; M471-V509 HydrophobicContact CG-CG2 3.6Å; M471-V509 HydrophobicContact SD-CG2 3.75Å
472	A	98.9	Very high	98.8	Very high	12 Å²	12	16.7 Å²	16.7	10%	0.099	8%	0.08	C	C	.	.	H	α-helix	trans	-62.8	-44.6	175.9	0	0	0	0	0	112.3	L414 L468 I469 A474 A476 F508 L534	L414-A472 HydrophobicContact CD1-CB 4.44Å; L414-A472 HydrophobicContact CD2-CB 3.72Å; L468-A472 WeakPolarHBondContact O-CB 3.42Å; L468-A472 PolarHBondContact O-N 3.23Å; I469-A472 WeakPolarHBondContact O-CB 3.09Å; I469-A472 PolarHBondContact O-N 3.15Å; A472-A474 VanDerWaalsContact C-N 3.34Å; A472-A476 WeakPolarHBondContact O-CB 3.44Å; A472-A476 PolarHBondContact O-N 2.83Å; A472-F508 HydrophobicContact CB-CE1 4.22Å; A472-F508 HydrophobicContact CB-CZ 4.41Å; A472-L534 HydrophobicContact CB-CD1 3.83Å
473	V	98.9	Very high	98.8	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.006	7%	0.071	C	C	.	.	H	α-helix	trans	-59.3	-47.5	172	175.5	0	0	0	0	110	I399 F401 A404 L405 H411 L414 I469 Q470 L475 A476 H477	I399-V473 HydrophobicContact CD1-CG1 4.06Å; F401-V473 HydrophobicContact CD1-CB 4.12Å; F401-V473 HydrophobicContact CD1-CG1 3.84Å; A404-V473 HydrophobicContact CB-CG1 4.09Å; L405-V473 HydrophobicContact CB-CG2 4.06Å; L405-V473 HydrophobicContact CD1-CG2 3.96Å; L405-V473 HydrophobicContact CD2-CG2 4.5Å; L405-V473 HydrophobicContact CG-CG2 4.39Å; H411-V473 PolarHBondContact CE1-O 2.67Å; H411-V473 VanDerWaalsContact CE1-O 3.29Å; L414-V473 HydrophobicContact CD2-CG2 3.67Å; I469-V473 WeakPolarHBondContact O-CG2 3.33Å; I469-V473 PolarHBondContact O-N 2.67Å; Q470-V473 PolarHBondContact O-N 2.94Å; V473-L475 PolarHBondContact O-N 2.92Å; V473-A476 PolarHBondContact O-N 2.95Å; V473-H477 WeakPolarHBondContact O-CB 3.34Å; V473-H477 PolarHBondContact O-N 3Å
474	A	98.9	Very high	98.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-57.8	-51	-179.4	0	0	0	0	0	112.4	F401 L435 Q470 M471 A472 A476 H477 I478 F493	F401-A474 HydrophobicContact CE1-CB 3.77Å; F401-A474 HydrophobicContact CZ-CB 4.25Å; L435-A474 HydrophobicContact CD1-CB 4.42Å; L435-A474 HydrophobicContact CD2-CB 4.02Å; Q470-A474 WeakPolarHBondContact O-CB 3.42Å; Q470-A474 PolarHBondContact O-N 3.17Å; M471-A474 WeakPolarHBondContact O-CB 3.36Å; M471-A474 PolarHBondContact O-N 3.18Å; M471-A474 HydrophobicContact SD-CB 4.41Å; A472-A474 VanDerWaalsContact C-N 3.34Å; A474-A476 PolarHBondContact O-N 2.96Å; A474-H477 PolarHBondContact O-N 2.79Å; A474-I478 WeakPolarHBondContact O-CB 3.33Å; A474-I478 WeakPolarHBondContact O-CD1 3.19Å; A474-I478 WeakPolarHBondContact O-CG1 3.23Å; A474-I478 PolarHBondContact O-N 3.02Å; A474-F493 HydrophobicContact CB-CE1 3.95Å; A474-F493 HydrophobicContact CB-CZ 3.88Å
475	L	98.9	Very high	98.8	Very high	5 Å²	5	21.5 Å²	21.5	3%	0.026	11%	0.113	C	C	.	.	H	α-helix	trans	-69.4	-34.1	-177.6	-64.6	177	0	0	0	112.4	M471 V473 R479 F493 F508 H536 F538 L540	M471-L475 HydrophobicContact CG-CD1 4.07Å; M471-L475 HydrophobicContact CG-CG 4.36Å; M471-L475 WeakPolarHBondContact O-CG 3.35Å; M471-L475 PolarHBondContact O-N 3.03Å; M471-L475 HydrophobicContact SD-CD1 3.8Å; M471-L475 HydrophobicContact SD-CD2 4.01Å; M471-L475 HydrophobicContact SD-CG 3.6Å; M471-L475 VanDerWaalsContact SD-CG 3.6Å; V473-L475 PolarHBondContact O-N 2.92Å; L475-R479 WeakPolarHBondContact O-CB 3.46Å; L475-R479 PolarHBondContact O-N 2.87Å; L475-F493 HydrophobicContact CD2-CD1 4.14Å; L475-F493 HydrophobicContact CD2-CE1 4.25Å; L475-F508 HydrophobicContact CD1-CD1 4.42Å; L475-F508 HydrophobicContact CD1-CE1 3.83Å; L475-F508 HydrophobicContact CD1-CZ 4.34Å; L475-H536 HydrophobicContact CB-CB 4.36Å; L475-H536 HydrophobicContact CD1-CB 4.08Å; L475-H536 WeakPolarHBondContact CD1-CD2 3.45Å; L475-F538 HydrophobicContact CB-CD2 4.41Å; L475-F538 HydrophobicContact CB-CE2 4.43Å; L475-F538 HydrophobicContact CD2-CD2 3.99Å; L475-F538 HydrophobicContact CD2-CE2 4.25Å; L475-F538 WeakPolarHBondContact O-CE2 3.35Å; L475-L540 HydrophobicContact CD2-CD1 3.88Å
476	A	98.9	Very high	98.8	Very high	30 Å²	30	23.4 Å²	23.4	25%	0.248	12%	0.121	C	C	.	.	H	α-helix	trans	-65.3	-42.2	172.6	0	0	0	0	0	111.7	A472 V473 A474 R479 H480	A472-A476 WeakPolarHBondContact O-CB 3.44Å; A472-A476 PolarHBondContact O-N 2.83Å; V473-A476 PolarHBondContact O-N 2.95Å; A474-A476 PolarHBondContact O-N 2.96Å; A476-R479 WeakPolarHBondContact O-CB 3.43Å; A476-R479 PolarHBondContact O-N 2.85Å; A476-H480 PolarHBondContact O-N 3.06Å; A476-H480 VanDerWaalsContact O-N 3.08Å
477	H	98.9	Very high	98.6	Very high	13 Å²	13	28.6 Å²	28.6	6%	0.06	16%	0.155	C	C	.	.	H	α-helix	trans	-66.2	-47.2	176.5	-173.8	67.4	0	0	0	112.1	H397 I399 V473 A474 R479 H480 V481	H397-H477 PolarHBondContact O-NE2 3.01Å; I399-H477 HydrophobicContact CD1-CB 3.78Å; I399-H477 VanDerWaalsContact CG2-CE1 3.45Å; I399-H477 WeakPolarHBondContact CG2-CE1 3.34Å; V473-H477 WeakPolarHBondContact O-CB 3.34Å; V473-H477 PolarHBondContact O-N 3Å; A474-H477 PolarHBondContact O-N 2.79Å; H477-R479 VanDerWaalsContact C-N 3.3Å; H477-R479 PolarHBondContact O-N 3.13Å; H477-H480 WeakPolarHBondContact O-CB 3.41Å; H477-H480 PolarHBondContact O-N 2.83Å; H477-H480 VanDerWaalsContact O-N 3.08Å; H477-V481 WeakPolarHBondContact O-CG2 3.48Å; H477-V481 PolarHBondContact O-N 2.89Å
478	I	98.9	Very high	98.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.5	-40.6	177.2	-65.4	163.6	0	0	0	110.1	L435 V437 A453 A474 H480 V481 S482 V491 F493 F538	L435-I478 HydrophobicContact CD2-CD1 4.33Å; L435-I478 HydrophobicContact CD2-CG1 4.13Å; V437-I478 HydrophobicContact CG2-CG1 4.48Å; A453-I478 HydrophobicContact CB-CD1 3.58Å; A453-I478 HydrophobicContact CB-CG1 4.06Å; A474-I478 WeakPolarHBondContact O-CB 3.33Å; A474-I478 WeakPolarHBondContact O-CD1 3.19Å; A474-I478 WeakPolarHBondContact O-CG1 3.23Å; A474-I478 PolarHBondContact O-N 3.02Å; I478-H480 VanDerWaalsContact C-N 3.32Å; I478-H480 PolarHBondContact O-N 2.7Å; I478-V481 PolarHBondContact O-N 2.8Å; I478-S482 WeakPolarHBondContact O-CB 3.46Å; I478-S482 PolarHBondContact O-N 2.85Å; I478-S482 PolarHBondContact O-OG 2.85Å; I478-V491 HydrophobicContact CG2-CB 4.36Å; I478-V491 HydrophobicContact CG2-CG1 3.77Å; I478-V491 HydrophobicContact CG2-CG2 3.58Å; I478-F493 HydrophobicContact CD1-CD1 3.62Å; I478-F493 HydrophobicContact CD1-CD2 4.35Å; I478-F493 HydrophobicContact CD1-CE1 3.64Å; I478-F493 HydrophobicContact CD1-CE2 4.37Å; I478-F493 HydrophobicContact CD1-CG 3.99Å; I478-F493 HydrophobicContact CD1-CZ 4.03Å; I478-F538 HydrophobicContact CB-CE2 4.35Å; I478-F538 HydrophobicContact CB-CZ 4.28Å; I478-F538 HydrophobicContact CG2-CE2 4.18Å; I478-F538 HydrophobicContact CG2-CZ 3.72Å
479	R	98.8	Very high	98.5	Very high	94 Å²	94	31.4 Å²	31.4	36%	0.355	18%	0.183	S	C	.	.	H	α-helix	trans	-53.4	-52.2	171.8	-176.6	-151.2	79.4	170.1	6.9	110.7	L475 A476 H477 V481 S482 C483 D484 F537 F538	L475-R479 WeakPolarHBondContact O-CB 3.46Å; L475-R479 PolarHBondContact O-N 2.87Å; A476-R479 WeakPolarHBondContact O-CB 3.43Å; A476-R479 PolarHBondContact O-N 2.85Å; H477-R479 VanDerWaalsContact C-N 3.3Å; H477-R479 PolarHBondContact O-N 3.13Å; R479-V481 VanDerWaalsContact C-N 3.29Å; R479-V481 PolarHBondContact O-N 2.78Å; R479-S482 PolarHBondContact O-N 2.93Å; R479-C483 HydrophobicContact CG-CB 4.42Å; R479-C483 WeakPolarHBondContact O-CA 3.45Å; R479-C483 VanDerWaalsContact O-CB 3.25Å; R479-C483 WeakPolarHBondContact O-CB 3.43Å; R479-C483 PolarHBondContact O-N 3.4Å; R479-D484 IonicContact CZ-OD2 3.65Å; R479-D484 IonicContact NE-OD2 3.9Å; R479-D484 IonicContact NH2-OD2 3.01Å; R479-D484 PolarHBondContact NH2-OD2 2.78Å; R479-F537 HydrophobicContact CB-CD1 4.19Å; R479-F537 HydrophobicContact CB-CE1 3.37Å; R479-F537 HydrophobicContact CB-CZ 3.95Å; R479-F537 HydrophobicContact CG-CD1 3.8Å; R479-F537 HydrophobicContact CG-CE1 3.21Å; R479-F537 HydrophobicContact CG-CZ 3.59Å; R479-F538 HydrophobicContact CB-CE2 4.36Å; R479-F538 HydrophobicContact CB-CZ 4.38Å
480	H	98.8	Very high	98.5	Very high	58 Å²	58	32.1 Å²	32.1	27%	0.269	19%	0.188	S	C	.	.	I	π-helix	trans	-57.3	-47.1	-176.9	177.8	59.7	0	0	0	110.7	L410 A476 H477 I478 D484 L485	L410-H480 HydrophobicContact CD1-CB 4.13Å; L410-H480 HydrophobicContact CD2-CB 3.64Å; A476-H480 PolarHBondContact O-N 3.06Å; A476-H480 VanDerWaalsContact O-N 3.08Å; H477-H480 WeakPolarHBondContact O-CB 3.41Å; H477-H480 PolarHBondContact O-N 2.83Å; H477-H480 VanDerWaalsContact O-N 3.08Å; I478-H480 VanDerWaalsContact C-N 3.32Å; I478-H480 PolarHBondContact O-N 2.7Å; H480-D484 WeakPolarHBondContact CA-OD2 3.49Å; H480-D484 IonicContact CE1-OD2 3.03Å; H480-D484 IonicContact CG-OD2 3.66Å; H480-D484 IonicContact ND1-OD2 3.98Å; H480-D484 PolarHBondContact ND1-OD2 3.04Å; H480-D484 WeakPolarHBondContact O-CA 3.22Å; H480-D484 VanDerWaalsContact O-CB 3.26Å; H480-D484 WeakPolarHBondContact O-CB 3.28Å; H480-D484 PolarHBondContact O-N 2.95Å; H480-L485 PolarHBondContact O-N 3.47Å
481	V	98.8	Very high	98.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.188	C	C	.	.	I	π-helix	trans	-63.5	-50.4	176.3	178.3	0	0	0	0	111.8	H397 V437 V439 H477 I478 R479 L485 Y486	H397-V481 HydrophobicContact CB-CG2 3.67Å; V437-V481 HydrophobicContact CG1-CG1 4.16Å; V437-V481 HydrophobicContact CG1-CG2 4.49Å; V439-V481 HydrophobicContact CG2-CG1 3.71Å; H477-V481 WeakPolarHBondContact O-CG2 3.48Å; H477-V481 PolarHBondContact O-N 2.89Å; I478-V481 PolarHBondContact O-N 2.8Å; R479-V481 VanDerWaalsContact C-N 3.29Å; R479-V481 PolarHBondContact O-N 2.78Å; V481-L485 HydrophobicContact CG2-CD1 4.31Å; V481-Y486 HydrophobicContact CG1-CD2 4.47Å; V481-Y486 WeakPolarHBondContact O-CD2 3.46Å; V481-Y486 PolarHBondContact O-N 3.16Å; V481-Y486 VanDerWaalsContact O-N 3.12Å
482	S	98.6	Very high	98.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.188	C	C	.	.	I	π-helix	trans	-78.3	-22.1	-170.1	67.9	0	0	0	0	114.4	I478 R479 Y486 G488 I489	I478-S482 WeakPolarHBondContact O-CB 3.46Å; I478-S482 PolarHBondContact O-N 2.85Å; I478-S482 PolarHBondContact O-OG 2.85Å; R479-S482 PolarHBondContact O-N 2.93Å; S482-Y486 CarbonylContact C-O 3.59Å; S482-Y486 VanDerWaalsContact C-O 3.25Å; S482-G488 CarbonylContact O-C 3.5Å; S482-G488 WeakPolarHBondContact O-CA 3.29Å; S482-G488 PolarHBondContact O-N 2.87Å; S482-I489 PolarHBondContact O-N 2.86Å
483	C	98.3	Very high	98.5	Very high	48 Å²	48	31.6 Å²	31.6	32%	0.324	18%	0.183	S	C	.	.	I	π-helix	trans	-121	-32.1	-172.7	-59	0	0	0	0	114.3	R479 Y486	R479-C483 HydrophobicContact CG-CB 4.42Å; R479-C483 WeakPolarHBondContact O-CA 3.45Å; R479-C483 VanDerWaalsContact O-CB 3.25Å; R479-C483 WeakPolarHBondContact O-CB 3.43Å; R479-C483 PolarHBondContact O-N 3.4Å; C483-Y486 CarbonylContact C-O 3.25Å; C483-Y486 WeakPolarHBondContact CA-O 3.22Å; C483-Y486 PolarHBondContact N-O 3.29Å; C483-Y486 VanDerWaalsContact O-O 3.05Å
484	D	98.3	Very high	98.5	Very high	88 Å²	88	31.6 Å²	31.6	47%	0.471	18%	0.183	S	C	.	.	I	π-helix	trans	-97.5	-48.8	-178.1	-50.7	-26.7	0	0	0	111	R479 H480	R479-D484 IonicContact CZ-OD2 3.65Å; R479-D484 IonicContact NE-OD2 3.9Å; R479-D484 IonicContact NH2-OD2 3.01Å; R479-D484 PolarHBondContact NH2-OD2 2.78Å; H480-D484 WeakPolarHBondContact CA-OD2 3.49Å; H480-D484 IonicContact CE1-OD2 3.03Å; H480-D484 IonicContact CG-OD2 3.66Å; H480-D484 IonicContact ND1-OD2 3.98Å; H480-D484 PolarHBondContact ND1-OD2 3.04Å; H480-D484 WeakPolarHBondContact O-CA 3.22Å; H480-D484 VanDerWaalsContact O-CB 3.26Å; H480-D484 WeakPolarHBondContact O-CB 3.28Å; H480-D484 PolarHBondContact O-N 2.95Å
485	L	98.4	Very high	98.5	Very high	86 Å²	86	31.6 Å²	31.6	45%	0.45	18%	0.183	S	C	.	.	I	π-helix	trans	-76	-33.6	177.5	-58.5	-174.1	0	0	0	112.2	H480 V481	H480-L485 PolarHBondContact O-N 3.47Å; V481-L485 HydrophobicContact CG2-CD1 4.31Å
486	Y	98.4	Very high	98.5	Very high	41 Å²	41	31.4 Å²	31.4	16%	0.161	18%	0.182	C	C	.	.	S	Bend	trans	-123.2	144.9	173.9	-69.9	-90.4	0	0	0	109.7	L394 S395 V439 V481 S482 C483 G488 I489	L394-Y486 HydrophobicContact CD1-CE1 4.26Å; S395-Y486 PolarHBondContact OG-OH 2.78Å; V439-Y486 HydrophobicContact CB-CE2 4.16Å; V439-Y486 HydrophobicContact CG1-CD1 4.35Å; V439-Y486 HydrophobicContact CG1-CD2 4.33Å; V439-Y486 HydrophobicContact CG1-CE1 4.01Å; V439-Y486 HydrophobicContact CG1-CE2 3.99Å; V439-Y486 HydrophobicContact CG2-CD2 4.12Å; V439-Y486 HydrophobicContact CG2-CE2 3.77Å; V481-Y486 HydrophobicContact CG1-CD2 4.47Å; V481-Y486 WeakPolarHBondContact O-CD2 3.46Å; V481-Y486 PolarHBondContact O-N 3.16Å; V481-Y486 VanDerWaalsContact O-N 3.12Å; S482-Y486 CarbonylContact C-O 3.59Å; S482-Y486 VanDerWaalsContact C-O 3.25Å; C483-Y486 CarbonylContact C-O 3.25Å; C483-Y486 WeakPolarHBondContact CA-O 3.22Å; C483-Y486 PolarHBondContact N-O 3.29Å; C483-Y486 VanDerWaalsContact O-O 3.05Å; Y486-G488 VanDerWaalsContact C-N 3.29Å; Y486-G488 PolarHBondContact O-N 2.93Å; Y486-I489 HydrophobicContact CD1-CD1 4.47Å; Y486-I489 HydrophobicContact CD2-CD1 4.3Å; Y486-I489 HydrophobicContact CG-CD1 3.94Å
487	P	95.8	Very high	98.5	Very high	112 Å²	112	30 Å²	30	73%	0.727	17%	0.171	S	C	*	.	S	Bend	trans	-80.1	72	-172.1	33.2	-37	0	0	0	112.1
488	G	96.2	Very high	98.4	Very high	55 Å²	55	30.6 Å²	30.6	57%	0.567	17%	0.174	S	C	*	.	S	Bend	trans	70.4	56.8	172.5	0	0	0	0	0	113.9	S482 Y486	S482-G488 CarbonylContact O-C 3.5Å; S482-G488 WeakPolarHBondContact O-CA 3.29Å; S482-G488 PolarHBondContact O-N 2.87Å; Y486-G488 VanDerWaalsContact C-N 3.29Å; Y486-G488 PolarHBondContact O-N 2.93Å
489	I	98.6	Very high	98.4	Very high	16 Å²	16	30.7 Å²	30.7	8%	0.082	18%	0.175	C	C	.	.			trans	-86.9	146.4	175.6	61.8	171.3	0	0	0	111.1	V439 R449 C451 S482 Y486	V439-I489 HydrophobicContact CG1-CD1 3.67Å; V439-I489 HydrophobicContact CG2-CD1 4.24Å; R449-I489 HydrophobicContact CB-CB 4.4Å; R449-I489 HydrophobicContact CB-CD1 4.48Å; R449-I489 HydrophobicContact CB-CG2 3.82Å; C451-I489 HydrophobicContact CB-CD1 3.92Å; C451-I489 HydrophobicContact CB-CG1 4.21Å; S482-I489 PolarHBondContact O-N 2.86Å; Y486-I489 HydrophobicContact CD1-CD1 4.47Å; Y486-I489 HydrophobicContact CD2-CD1 4.3Å; Y486-I489 HydrophobicContact CG-CD1 3.94Å
490	P	98.5	Very high	98.4	Very high	14 Å²	14	28 Å²	28	9%	0.091	17%	0.169	C	C	.	.			trans	-64.8	157.6	179	18.6	-28.1	0	0	0	113.7	R449 I450 C451 A569 L570 W608	R449-P490 WeakPolarHBondContact O-CD 3.38Å; I450-P490 HydrophobicContact CG1-CG 4.42Å; C451-P490 PolarHBondContact N-O 2.83Å; P490-A569 HydrophobicContact CB-CB 3.68Å; P490-A569 HydrophobicContact CG-CB 4.17Å; P490-L570 HydrophobicContact CB-CD1 4.3Å; P490-L570 HydrophobicContact CB-CG 4.32Å; P490-W608 HydrophobicContact CG-CE3 4.13Å; P490-W608 HydrophobicContact CG-CH2 3.96Å; P490-W608 HydrophobicContact CG-CZ3 3.29Å
491	V	98.9	Very high	98.4	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	134.4	-179	175.9	0	0	0	0	111	C451 I478 F493 F538 D566	C451-V491 HydrophobicContact CB-CG2 4.11Å; C451-V491 WeakPolarHBondContact O-CA 3.47Å; I478-V491 HydrophobicContact CG2-CB 4.36Å; I478-V491 HydrophobicContact CG2-CG1 3.77Å; I478-V491 HydrophobicContact CG2-CG2 3.58Å; V491-F493 HydrophobicContact CG1-CB 4.2Å; V491-F538 HydrophobicContact CB-CE1 4.35Å; V491-F538 HydrophobicContact CG2-CD1 4.48Å; V491-F538 HydrophobicContact CG2-CE1 3.6Å; V491-F538 HydrophobicContact CG2-CZ 4Å; V491-D566 PolarHBondContact O-N 3.31Å
492	I	98.9	Very high	98.4	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.9	156.5	-66.7	170.9	0	0	0	106.4	T297 I450 C451 V452 A453 I563 F564 I565 L570 L606	T297-I492 HydrophobicContact CG2-CG2 3.92Å; I450-I492 HydrophobicContact CD1-CD1 3.36Å; I450-I492 HydrophobicContact CD1-CG1 3.76Å; I450-I492 HydrophobicContact CG1-CD1 4.29Å; I450-I492 HydrophobicContact CG1-CG1 4.37Å; C451-I492 PolarHBondContact O-N 2.66Å; V452-I492 CarbonylContact C-O 3.55Å; V452-I492 WeakPolarHBondContact CA-O 3.29Å; A453-I492 PolarHBondContact N-O 3.22Å; I492-I563 HydrophobicContact CG2-CG2 4.07Å; I492-F564 CarbonylContact C-O 3.32Å; I492-F564 WeakPolarHBondContact CA-O 3.36Å; I492-I565 HydrophobicContact CG1-CG2 4.4Å; I492-L570 HydrophobicContact CD1-CD1 4.24Å; I492-L570 HydrophobicContact CG1-CD1 3.67Å; I492-L606 HydrophobicContact CD1-CD1 3.58Å; I492-L606 HydrophobicContact CG1-CD1 3.94Å
493	F	98.9	Very high	98.4	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	100.3	177.3	-170	-173.1	0	0	0	110.2	L435 A453 T455 M471 A474 L475 I478 V491 F497 F564	L435-F493 HydrophobicContact CD1-CD2 4.49Å; L435-F493 HydrophobicContact CD1-CE2 3.47Å; L435-F493 VanDerWaalsContact CD1-CE2 3.47Å; L435-F493 HydrophobicContact CD1-CZ 3.6Å; A453-F493 HydrophobicContact CB-CB 4.19Å; A453-F493 HydrophobicContact CB-CD2 3.43Å; A453-F493 VanDerWaalsContact CB-CD2 3.43Å; A453-F493 HydrophobicContact CB-CE2 3.93Å; A453-F493 HydrophobicContact CB-CG 3.9Å; A453-F493 WeakPolarHBondContact O-CA 3.47Å; T455-F493 HydrophobicContact CG2-CE2 3.61Å; T455-F493 HydrophobicContact CG2-CZ 3.76Å; M471-F493 HydrophobicContact CE-CD1 4.46Å; M471-F493 HydrophobicContact CE-CE1 3.57Å; M471-F493 HydrophobicContact CE-CZ 3.96Å; M471-F493 HydrophobicContact SD-CE1 3.74Å; A474-F493 HydrophobicContact CB-CE1 3.95Å; A474-F493 HydrophobicContact CB-CZ 3.88Å; L475-F493 HydrophobicContact CD2-CD1 4.14Å; L475-F493 HydrophobicContact CD2-CE1 4.25Å; I478-F493 HydrophobicContact CD1-CD1 3.62Å; I478-F493 HydrophobicContact CD1-CD2 4.35Å; I478-F493 HydrophobicContact CD1-CE1 3.64Å; I478-F493 HydrophobicContact CD1-CE2 4.37Å; I478-F493 HydrophobicContact CD1-CG 3.99Å; I478-F493 HydrophobicContact CD1-CZ 4.03Å; V491-F493 HydrophobicContact CG1-CB 4.2Å; F493-F497 HydrophobicContact CD1-CE1 4.43Å; F493-F497 HydrophobicContact CD2-CE1 4.41Å; F493-F497 HydrophobicContact CD2-CZ 4.14Å; F493-F497 HydrophobicContact CE1-CE1 4.1Å; F493-F497 HydrophobicContact CE2-CE1 4.08Å; F493-F497 HydrophobicContact CE2-CZ 4.2Å; F493-F497 HydrophobicContact CG-CZ 4.33Å; F493-F497 AromaticContact CZ-CE1 3.91Å; F493-F497 HydrophobicContact CZ-CE1 3.91Å; F493-F497 HydrophobicContact CZ-CZ 4.44Å; F493-F564 HydrophobicContact CB-CB 4.29Å; F493-F564 PolarHBondContact N-O 3.16Å; F493-F564 PolarHBondContact O-N 3.02Å
494	C	98.9	Very high	98.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	160.4	175.6	-63.9	0	0	0	0	110.9	C348 A453 N454 T455 Y562	C348-C494 HydrophobicContact CB-CB 3.38Å; A453-C494 PolarHBondContact O-N 3.14Å; N454-C494 VanDerWaalsContact CA-O 3.29Å; N454-C494 WeakPolarHBondContact CA-O 3.46Å; T455-C494 PolarHBondContact N-O 3.41Å; C494-Y562 WeakPolarHBondContact CA-O 3.5Å
495	G	98.9	Very high	98.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.9	165.7	171	0	0	0	0	0	114.3	S299 T455 F497 D561 Y562	S299-G495 PolarHBondContact OG-N 2.93Å; T455-G495 WeakPolarHBondContact O-CA 3.4Å; G495-F497 WeakPolarHBondContact O-CD2 3.29Å; G495-F497 VanDerWaalsContact O-CE2 3.27Å; G495-F497 WeakPolarHBondContact O-CE2 3.1Å; G495-D561 WeakPolarHBondContact O-CA 3.25Å; G495-Y562 PolarHBondContact N-O 3.12Å; G495-Y562 PolarHBondContact O-N 3.39Å
496	D	98.9	Very high	98.5	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.011	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	107.8	154.8	179.9	-10.7	0	0	0	107.2	N301 Q350 T455 H456 L457 N498 H599	N301-D496 HydrophobicContact CB-CB 4.43Å; N301-D496 PolarHBondContact ND2-OD2 2.79Å; Q350-D496 HydrophobicContact CG-CB 4.15Å; T455-D496 PolarHBondContact O-N 3.14Å; T455-D496 VanDerWaalsContact O-N 3.15Å; H456-D496 WeakPolarHBondContact CA-O 3.47Å; H456-D496 IonicContact CD2-OD2 2.89Å; H456-D496 IonicContact NE2-OD2 3.92Å; L457-D496 PolarHBondContact N-O 3.42Å; D496-N498 PolarHBondContact OD1-N 3.38Å; D496-N498 PolarHBondContact OD1-ND2 3.09Å; D496-H599 IonicContact OD2-CE1 2.73Å; D496-H599 PolarHBondContact OD2-CE1 3Å; D496-H599 IonicContact OD2-NE2 3.3Å
497	F	98.9	Very high	98.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	16%	0.158	C	C	.	.			trans	-93.6	-3.3	-175.9	-62.3	-89.5	0	0	0	112.2	T455 L457 R467 M471 F493 G495 S499 M505 L560 Y562 F564	T455-F497 HydrophobicContact CG2-CD1 4.1Å; T455-F497 HydrophobicContact CG2-CE1 3.79Å; T455-F497 HydrophobicContact CG2-CZ 4.4Å; L457-F497 HydrophobicContact CD1-CB 4.21Å; L457-F497 HydrophobicContact CD1-CD1 3.88Å; L457-F497 HydrophobicContact CG-CD1 4.2Å; R467-F497 VanDerWaalsContact CD-O 3.22Å; R467-F497 WeakPolarHBondContact CD-O 3.26Å; M471-F497 HydrophobicContact CE-CD1 3.46Å; M471-F497 VanDerWaalsContact CE-CD1 3.46Å; M471-F497 HydrophobicContact CE-CE1 3.34Å; F493-F497 HydrophobicContact CD1-CE1 4.43Å; F493-F497 HydrophobicContact CD2-CE1 4.41Å; F493-F497 HydrophobicContact CD2-CZ 4.14Å; F493-F497 HydrophobicContact CE1-CE1 4.1Å; F493-F497 HydrophobicContact CE2-CE1 4.08Å; F493-F497 HydrophobicContact CE2-CZ 4.2Å; F493-F497 HydrophobicContact CG-CZ 4.33Å; F493-F497 AromaticContact CZ-CE1 3.91Å; F493-F497 HydrophobicContact CZ-CE1 3.91Å; F493-F497 HydrophobicContact CZ-CZ 4.44Å; G495-F497 WeakPolarHBondContact O-CD2 3.29Å; G495-F497 VanDerWaalsContact O-CE2 3.27Å; G495-F497 WeakPolarHBondContact O-CE2 3.1Å; F497-S499 WeakPolarHBondContact O-CB 3.45Å; F497-S499 PolarHBondContact O-N 3.03Å; F497-S499 PolarHBondContact O-OG 3.18Å; F497-M505 HydrophobicContact CB-CE 3.82Å; F497-M505 HydrophobicContact CB-SD 4.3Å; F497-M505 HydrophobicContact CD1-CE 3.29Å; F497-M505 HydrophobicContact CE1-CE 4.1Å; F497-M505 HydrophobicContact CG-CE 3.81Å; F497-L560 PolarHBondContact N-O 3.32Å; F497-Y562 HydrophobicContact CB-CD2 4.18Å; F497-Y562 HydrophobicContact CB-CE2 4.38Å; F497-Y562 AromaticContact CD2-CD2 3.53Å; F497-Y562 HydrophobicContact CD2-CD2 3.53Å; F497-Y562 HydrophobicContact CD2-CE2 4.49Å; F497-Y562 HydrophobicContact CD2-CG 4.29Å; F497-Y562 HydrophobicContact CE2-CD2 4.2Å; F497-Y562 HydrophobicContact CG-CD2 4.1Å; F497-F564 HydrophobicContact CD1-CE2 4.32Å; F497-F564 HydrophobicContact CD2-CE2 4.1Å; F497-F564 HydrophobicContact CE1-CD2 4.18Å; F497-F564 HydrophobicContact CE1-CE2 4.01Å; F497-F564 AromaticContact CE2-CD2 3.94Å; F497-F564 HydrophobicContact CE2-CD2 3.94Å; F497-F564 AromaticContact CE2-CE2 3.75Å; F497-F564 HydrophobicContact CE2-CE2 3.75Å; F497-F564 HydrophobicContact CG-CE2 4.33Å; F497-F564 AromaticContact CZ-CD2 3.62Å; F497-F564 HydrophobicContact CZ-CD2 3.62Å; F497-F564 AromaticContact CZ-CE2 3.69Å; F497-F564 HydrophobicContact CZ-CE2 3.69Å
498	N	98.8	Very high	98.7	Very high	26 Å²	26	19 Å²	19	14%	0.139	12%	0.124	C	C	.	.			trans	45.9	34.3	-176.6	-82.6	-77.1	0	0	0	113.1	H456 L457 R467 D496	H456-N498 PolarHBondContact CD2-ND2 2.94Å; H456-N498 PolarHBondContact NE2-ND2 2.96Å; H456-N498 VanDerWaalsContact NE2-ND2 3.18Å; L457-N498 PolarHBondContact O-ND2 3.23Å; R467-N498 WeakPolarHBondContact CD-O 3.32Å; R467-N498 PolarHBondContact NE-O 3.5Å; D496-N498 PolarHBondContact OD1-N 3.38Å; D496-N498 PolarHBondContact OD1-ND2 3.09Å
499	S	98.8	Very high	98.8	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.007	10%	0.097	C	C	.	.			trans	-139.5	121.6	-170.7	-62.4	0	0	0	0	110.3	R467 F497 T503 M505 C559 Y562	R467-S499 WeakPolarHBondContact CD-OG 3.45Å; R467-S499 PolarHBondContact NE-OG 3.04Å; R467-S499 VanDerWaalsContact NE-OG 3.13Å; F497-S499 WeakPolarHBondContact O-CB 3.45Å; F497-S499 PolarHBondContact O-N 3.03Å; F497-S499 PolarHBondContact O-OG 3.18Å; S499-T503 WeakPolarHBondContact CB-OG1 3.44Å; S499-M505 VanDerWaalsContact CB-SD 3.58Å; S499-C559 VanDerWaalsContact O-O 3.08Å; S499-Y562 VanDerWaalsContact O-CE2 3.25Å; S499-Y562 WeakPolarHBondContact O-CE2 3.46Å; S499-Y562 PolarHBondContact O-OH 2.95Å
500	T	98.8	Very high	98.8	Very high	39 Å²	39	18.5 Å²	18.5	24%	0.239	11%	0.108	C	C	.	.			trans	-76.5	162.7	175.9	62.4	0	0	0	0	111.4	S502 T503 C559 L560	T500-S502 PolarHBondContact O-N 3.41Å; T500-S502 PolarHBondContact OG1-OG 3.04Å; T500-T503 WeakPolarHBondContact O-CB 3.43Å; T500-T503 WeakPolarHBondContact O-CG2 3.19Å; T500-T503 PolarHBondContact O-N 3.1Å; T500-T503 PolarHBondContact O-OG1 2.9Å; T500-C559 WeakPolarHBondContact CA-O 3.36Å; T500-L560 HydrophobicContact CG2-CD2 4.06Å
501	P	98.8	Very high	98.8	Very high	42 Å²	42	22.1 Å²	22.1	27%	0.273	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-18.4	-179.5	-26.5	35.7	0	0	0	114.7	Y506 E546 C559 Y562	P501-Y506 HydrophobicContact CB-CD1 4.09Å; P501-Y506 HydrophobicContact CB-CE1 4.01Å; P501-Y506 HydrophobicContact CB-CG 4.48Å; P501-Y506 WeakPolarHBondContact O-CD1 3.49Å; P501-E546 HydrophobicContact CB-CB 4.49Å; P501-E546 HydrophobicContact CB-CG 4Å; P501-E546 HydrophobicContact CG-CB 3.99Å; P501-E546 HydrophobicContact CG-CG 3.86Å; P501-C559 HydrophobicContact CG-CB 4.21Å; P501-Y562 VanDerWaalsContact CD-OH 3.24Å; P501-Y562 WeakPolarHBondContact CD-OH 3.46Å; P501-Y562 WeakPolarHBondContact CG-OH 3.34Å
502	S	98.3	Very high	98.8	Very high	100 Å²	100	22.4 Å²	22.4	70%	0.699	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-6.8	177.7	60.9	0	0	0	0	114.3	T500	T500-S502 PolarHBondContact O-N 3.41Å; T500-S502 PolarHBondContact OG1-OG 3.04Å
503	T	98.8	Very high	98.7	Very high	18 Å²	18	24.8 Å²	24.8	11%	0.11	15%	0.147	C	C	.	.	S	Bend	trans	-79.7	159	-176.2	59.6	0	0	0	0	113.1	S499 T500 M505 Y506 H507	S499-T503 WeakPolarHBondContact CB-OG1 3.44Å; T500-T503 WeakPolarHBondContact O-CB 3.43Å; T500-T503 WeakPolarHBondContact O-CG2 3.19Å; T500-T503 PolarHBondContact O-N 3.1Å; T500-T503 PolarHBondContact O-OG1 2.9Å; T503-M505 VanDerWaalsContact C-N 3.27Å; T503-M505 PolarHBondContact O-N 3.26Å; T503-Y506 PolarHBondContact O-N 2.9Å; T503-Y506 PolarHBondContact OG1-N 3.28Å; T503-H507 PolarHBondContact O-N 3.4Å
504	G	98.7	Very high	98.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.3	-34.4	174.2	0	0	0	0	0	112.5	Y506 H507 F508 H518 D520	G504-Y506 PolarHBondContact O-N 3.39Å; G504-H507 PolarHBondContact O-N 2.83Å; G504-F508 WeakPolarHBondContact O-CB 3.38Å; G504-F508 PolarHBondContact O-N 3.39Å; G504-H518 WeakPolarHBondContact CA-CE1 3.4Å; G504-H518 VanDerWaalsContact CA-NE2 3.34Å; G504-H518 WeakPolarHBondContact CA-NE2 3.47Å; G504-H518 PolarHBondContact N-CE1 3.08Å; G504-D520 WeakPolarHBondContact CA-OD2 3.47Å; G504-D520 PolarHBondContact N-OD2 3.21Å
505	M	98.8	Very high	98.7	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-60	-46.4	175	176	-83.5	172.6	0	0	111.7	L457 R467 L468 M471 F497 S499 T503 F508 V509	L457-M505 HydrophobicContact CD1-CE 3.95Å; R467-M505 HydrophobicContact CB-CB 4.48Å; R467-M505 HydrophobicContact CB-CG 4.4Å; L468-M505 HydrophobicContact CD2-CB 4.36Å; L468-M505 HydrophobicContact CG-CB 4.25Å; M471-M505 HydrophobicContact CB-CE 4.28Å; M471-M505 HydrophobicContact CB-CG 4.15Å; M471-M505 HydrophobicContact CE-CE 3.08Å; M471-M505 HydrophobicContact CG-CE 3.94Å; M471-M505 HydrophobicContact CG-CG 4.38Å; M471-M505 HydrophobicContact SD-CE 4.14Å; F497-M505 HydrophobicContact CB-CE 3.82Å; F497-M505 HydrophobicContact CB-SD 4.3Å; F497-M505 HydrophobicContact CD1-CE 3.29Å; F497-M505 HydrophobicContact CE1-CE 4.1Å; F497-M505 HydrophobicContact CG-CE 3.81Å; S499-M505 VanDerWaalsContact CB-SD 3.58Å; T503-M505 VanDerWaalsContact C-N 3.27Å; T503-M505 PolarHBondContact O-N 3.26Å; M505-F508 WeakPolarHBondContact O-CB 3.36Å; M505-F508 PolarHBondContact O-N 3.22Å; M505-V509 HydrophobicContact CE-CG2 3.85Å; M505-V509 WeakPolarHBondContact O-CG2 3.35Å; M505-V509 PolarHBondContact O-N 3.04Å; M505-V509 VanDerWaalsContact O-N 3.14Å; M505-V509 HydrophobicContact SD-CG2 4.44Å
506	Y	98.9	Very high	98.7	Very high	15 Å²	15	33.5 Å²	33.5	6%	0.059	19%	0.192	C	C	.	.	H	α-helix	trans	-67.5	-42.9	177.8	-172.4	-96.6	0	0	0	111.6	P501 T503 G504 F508 V509 I510 E546 Y562 F564	P501-Y506 HydrophobicContact CB-CD1 4.09Å; P501-Y506 HydrophobicContact CB-CE1 4.01Å; P501-Y506 HydrophobicContact CB-CG 4.48Å; P501-Y506 WeakPolarHBondContact O-CD1 3.49Å; T503-Y506 PolarHBondContact O-N 2.9Å; T503-Y506 PolarHBondContact OG1-N 3.28Å; G504-Y506 PolarHBondContact O-N 3.39Å; Y506-F508 VanDerWaalsContact C-N 3.32Å; Y506-F508 PolarHBondContact O-N 3.5Å; Y506-V509 PolarHBondContact O-N 3.39Å; Y506-I510 HydrophobicContact CD1-CG1 3.99Å; Y506-I510 HydrophobicContact CD2-CG1 4.48Å; Y506-I510 HydrophobicContact CE1-CD1 4.48Å; Y506-I510 HydrophobicContact CE1-CG1 3.62Å; Y506-I510 HydrophobicContact CE2-CD1 4.33Å; Y506-I510 HydrophobicContact CE2-CG1 4.11Å; Y506-I510 HydrophobicContact CG-CG1 4.42Å; Y506-I510 WeakPolarHBondContact O-CG1 3.48Å; Y506-I510 PolarHBondContact O-N 2.79Å; Y506-E546 HydrophobicContact CE1-CG 4.45Å; Y506-E546 WeakPolarHBondContact CE1-OE1 3.24Å; Y506-E546 VanDerWaalsContact OH-CG 3.22Å; Y506-E546 WeakPolarHBondContact OH-CG 3.47Å; Y506-E546 PolarHBondContact OH-OE1 2.94Å; Y506-Y562 HydrophobicContact CD2-CD1 4.4Å; Y506-Y562 AromaticContact CD2-CE1 3.85Å; Y506-Y562 HydrophobicContact CD2-CE1 3.85Å; Y506-Y562 HydrophobicContact CD2-CE2 4.09Å; Y506-Y562 AromaticContact CD2-CZ 3.7Å; Y506-Y562 AromaticContact CE2-CD1 3.81Å; Y506-Y562 HydrophobicContact CE2-CD1 3.81Å; Y506-Y562 AromaticContact CE2-CE1 3.41Å; Y506-Y562 HydrophobicContact CE2-CE1 3.41Å; Y506-Y562 VanDerWaalsContact CE2-CE1 3.41Å; Y506-Y562 HydrophobicContact CE2-CE2 4.43Å; Y506-Y562 HydrophobicContact CE2-CG 4.46Å; Y506-Y562 AromaticContact CE2-CZ 3.79Å; Y506-F564 HydrophobicContact CD2-CE1 4.22Å; Y506-F564 AromaticContact CD2-CZ 3.93Å; Y506-F564 HydrophobicContact CD2-CZ 3.93Å; Y506-F564 AromaticContact CE2-CE1 3.79Å; Y506-F564 HydrophobicContact CE2-CE1 3.79Å; Y506-F564 AromaticContact CE2-CZ 3.92Å; Y506-F564 HydrophobicContact CE2-CZ 3.92Å
507	H	98.8	Very high	98.6	Very high	65 Å²	65	39.4 Å²	39.4	30%	0.301	22%	0.223	S	C	.	.	H	α-helix	trans	-54.2	-48.6	173.2	179.9	78	0	0	0	111.4	T503 G504 V509 I510 N511 S513	T503-H507 PolarHBondContact O-N 3.4Å; G504-H507 PolarHBondContact O-N 2.83Å; H507-V509 PolarHBondContact O-N 3.4Å; H507-I510 PolarHBondContact O-N 3.29Å; H507-N511 PolarHBondContact ND1-OD1 2.76Å; H507-N511 WeakPolarHBondContact O-CB 3.49Å; H507-N511 PolarHBondContact O-N 2.96Å; H507-N511 PolarHBondContact O-OD1 3.43Å; H507-N511 VanDerWaalsContact O-OD1 3.04Å; H507-S513 PolarHBondContact CD2-O 2.9Å
508	F	98.9	Very high	98.6	Very high	3 Å²	3	41 Å²	41	1%	0.013	23%	0.231	C	C	.	.	H	α-helix	trans	-55.5	-50.1	177.7	174.7	-124.6	0	0	0	111.7	L468 M471 A472 L475 G504 M505 Y506 G512 I514 L534 H536	L468-F508 HydrophobicContact CD2-CB 3.91Å; L468-F508 HydrophobicContact CD2-CD1 4.46Å; L468-F508 HydrophobicContact CD2-CG 4.36Å; M471-F508 HydrophobicContact CB-CD1 4.45Å; M471-F508 HydrophobicContact CG-CD1 3.87Å; M471-F508 HydrophobicContact CG-CE1 4.06Å; A472-F508 HydrophobicContact CB-CE1 4.22Å; A472-F508 HydrophobicContact CB-CZ 4.41Å; L475-F508 HydrophobicContact CD1-CD1 4.42Å; L475-F508 HydrophobicContact CD1-CE1 3.83Å; L475-F508 HydrophobicContact CD1-CZ 4.34Å; G504-F508 WeakPolarHBondContact O-CB 3.38Å; G504-F508 PolarHBondContact O-N 3.39Å; M505-F508 WeakPolarHBondContact O-CB 3.36Å; M505-F508 PolarHBondContact O-N 3.22Å; Y506-F508 VanDerWaalsContact C-N 3.32Å; Y506-F508 PolarHBondContact O-N 3.5Å; F508-G512 WeakPolarHBondContact O-CA 3.37Å; F508-G512 PolarHBondContact O-N 2.75Å; F508-I514 HydrophobicContact CB-CB 4.04Å; F508-I514 HydrophobicContact CB-CG2 4.08Å; F508-I514 HydrophobicContact CD2-CB 4.25Å; F508-I514 HydrophobicContact CD2-CG2 3.74Å; F508-I514 HydrophobicContact CE2-CG2 4.49Å; F508-I514 HydrophobicContact CG-CG2 4.1Å; F508-L534 HydrophobicContact CD2-CB 4.21Å; F508-L534 HydrophobicContact CE2-CB 3.66Å; F508-L534 HydrophobicContact CZ-CB 4.05Å; F508-H536 AromaticContact CE1-CD2 3.96Å; F508-H536 HydrophobicContact CE2-CB 4.43Å; F508-H536 AromaticContact CE2-CD2 3.64Å; F508-H536 HydrophobicContact CZ-CB 4.14Å; F508-H536 AromaticContact CZ-CD2 3.62Å; F508-H536 PolarHBondContact O-CD2 3.35Å; F508-H536 PolarHBondContact O-NE2 3.06Å
509	V	98.8	Very high	98.6	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.3	-44.7	-178.3	171.2	0	0	0	0	112.9	M471 M505 Y506 H507 H536 L540 F564	M471-V509 HydrophobicContact CE-CG2 4.29Å; M471-V509 HydrophobicContact CG-CG2 3.6Å; M471-V509 HydrophobicContact SD-CG2 3.75Å; M505-V509 HydrophobicContact CE-CG2 3.85Å; M505-V509 WeakPolarHBondContact O-CG2 3.35Å; M505-V509 PolarHBondContact O-N 3.04Å; M505-V509 VanDerWaalsContact O-N 3.14Å; M505-V509 HydrophobicContact SD-CG2 4.44Å; Y506-V509 PolarHBondContact O-N 3.39Å; H507-V509 PolarHBondContact O-N 3.4Å; V509-H536 WeakPolarHBondContact CA-NE2 3.38Å; V509-H536 PolarHBondContact O-CE1 3.44Å; V509-H536 VanDerWaalsContact O-CE1 3.26Å; V509-H536 PolarHBondContact O-NE2 3.14Å; V509-H536 VanDerWaalsContact O-NE2 3.1Å; V509-L540 HydrophobicContact CG1-CB 4.12Å; V509-L540 HydrophobicContact CG1-CD1 3.9Å; V509-F564 HydrophobicContact CB-CZ 4.45Å; V509-F564 HydrophobicContact CG1-CD1 3.75Å; V509-F564 HydrophobicContact CG1-CD2 4.02Å; V509-F564 HydrophobicContact CG1-CE1 3.68Å; V509-F564 HydrophobicContact CG1-CE2 3.93Å; V509-F564 HydrophobicContact CG1-CG 3.94Å; V509-F564 HydrophobicContact CG1-CZ 3.77Å
510	I	98.6	Very high	98.6	Very high	59 Å²	59	48.1 Å²	48.1	30%	0.303	26%	0.264	S	S	.	.	H	α-helix	trans	-80.5	-38.7	-174.7	-62.1	-58.8	0	0	0	111.5	Y506 H507 F564	Y506-I510 HydrophobicContact CD1-CG1 3.99Å; Y506-I510 HydrophobicContact CD2-CG1 4.48Å; Y506-I510 HydrophobicContact CE1-CD1 4.48Å; Y506-I510 HydrophobicContact CE1-CG1 3.62Å; Y506-I510 HydrophobicContact CE2-CD1 4.33Å; Y506-I510 HydrophobicContact CE2-CG1 4.11Å; Y506-I510 HydrophobicContact CG-CG1 4.42Å; Y506-I510 WeakPolarHBondContact O-CG1 3.48Å; Y506-I510 PolarHBondContact O-N 2.79Å; H507-I510 PolarHBondContact O-N 3.29Å; I510-F564 HydrophobicContact CD1-CD1 4.28Å; I510-F564 HydrophobicContact CD1-CE1 3.93Å
511	N	98.4	Very high	98.6	Very high	91 Å²	91	46.3 Å²	46.3	49%	0.487	25%	0.253	S	S	.	.	H	α-helix	trans	-88.5	-18.5	-174.6	-65.7	84.5	0	0	0	113.3	H507 S513	H507-N511 PolarHBondContact ND1-OD1 2.76Å; H507-N511 WeakPolarHBondContact O-CB 3.49Å; H507-N511 PolarHBondContact O-N 2.96Å; H507-N511 PolarHBondContact O-OD1 3.43Å; H507-N511 VanDerWaalsContact O-OD1 3.04Å; N511-S513 PolarHBondContact O-N 3.3Å
512	G	98.4	Very high	98.6	Very high	7 Å²	7	45.3 Å²	45.3	7%	0.072	25%	0.248	C	C	.	.	S	Bend	trans	79.3	3.5	-174.8	0	0	0	0	0	113.9	F508 T535 H536	F508-G512 WeakPolarHBondContact O-CA 3.37Å; F508-G512 PolarHBondContact O-N 2.75Å; G512-T535 CarbonylContact O-C 3.59Å; G512-T535 VanDerWaalsContact O-CA 3.23Å; G512-T535 WeakPolarHBondContact O-CA 3.27Å; G512-H536 WeakPolarHBondContact CA-NE2 3.37Å; G512-H536 PolarHBondContact O-N 3.38Å
513	S	98.6	Very high	98.6	Very high	51 Å²	51	42 Å²	42	36%	0.357	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	154.4	179.4	61.8	0	0	0	0	111.7	H507 N511 L534	H507-S513 PolarHBondContact CD2-O 2.9Å; N511-S513 PolarHBondContact O-N 3.3Å; S513-L534 CarbonylContact C-O 3.01Å; S513-L534 WeakPolarHBondContact CA-O 3.32Å
514	I	98.8	Very high	98.5	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	133.7	169	-177.6	175.5	0	0	0	108.9	L468 F508 H518 W521 S533 L534	L468-I514 HydrophobicContact CD1-CD1 3.58Å; L468-I514 HydrophobicContact CD2-CD1 3.49Å; L468-I514 VanDerWaalsContact CD2-CD1 3.49Å; L468-I514 HydrophobicContact CD2-CG2 4.23Å; L468-I514 HydrophobicContact CG-CD1 4.18Å; F508-I514 HydrophobicContact CB-CB 4.04Å; F508-I514 HydrophobicContact CB-CG2 4.08Å; F508-I514 HydrophobicContact CD2-CB 4.25Å; F508-I514 HydrophobicContact CD2-CG2 3.74Å; F508-I514 HydrophobicContact CE2-CG2 4.49Å; F508-I514 HydrophobicContact CG-CG2 4.1Å; I514-H518 HydrophobicContact CD1-CB 3.84Å; I514-H518 HydrophobicContact CG1-CB 3.81Å; I514-W521 HydrophobicContact CD1-CZ2 4.34Å; I514-W521 HydrophobicContact CG2-CZ2 4.05Å; I514-S533 WeakPolarHBondContact O-CA 3.18Å; I514-L534 HydrophobicContact CG2-CB 3.76Å; I514-L534 HydrophobicContact CG2-CD1 4.33Å; I514-L534 HydrophobicContact CG2-CG 4.25Å; I514-L534 PolarHBondContact N-O 3.47Å; I514-L534 PolarHBondContact O-N 3.21Å
515	P	98.5	Very high	98.4	Very high	54 Å²	54	45.4 Å²	45.4	35%	0.351	25%	0.25	S	S	.	.			trans	-75.9	160.3	-178.7	34.1	-38.1	0	0	0	111.9	D517 H518 W521	P515-D517 VanDerWaalsContact CB-OD1 3.27Å; P515-D517 WeakPolarHBondContact CB-OD1 3.43Å; P515-D517 WeakPolarHBondContact CG-OD1 3.46Å; P515-D517 PolarHBondContact O-N 2.82Å; P515-H518 HydrophobicContact CG-CB 4.39Å; P515-H518 PolarHBondContact O-N 3.28Å; P515-W521 PolarHBondContact O-NE1 3.07Å; P515-W521 VanDerWaalsContact O-NE1 3.1Å
516	E	98	Very high	98.4	Very high	128 Å²	128	51.8 Å²	51.8	60%	0.598	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-23.8	-178.9	67.6	178.8	-155.8	0	0	113.5	N531 M532	E516-N531 VanDerWaalsContact O-CB 3.25Å; E516-N531 WeakPolarHBondContact O-CB 3.22Å; E516-N531 PolarHBondContact O-ND2 3.24Å; E516-M532 WeakPolarHBondContact CA-O 3.34Å
517	D	98	Very high	98.3	Very high	125 Å²	125	59.2 Å²	59.2	67%	0.668	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	4.7	-177.1	64.6	-15.9	0	0	0	113.5	P515	P515-D517 VanDerWaalsContact CB-OD1 3.27Å; P515-D517 WeakPolarHBondContact CB-OD1 3.43Å; P515-D517 WeakPolarHBondContact CG-OD1 3.46Å; P515-D517 PolarHBondContact O-N 2.82Å
518	H	98.8	Very high	98.2	Very high	35 Å²	35	57.4 Å²	57.4	16%	0.162	31%	0.307	C	S	.	.			trans	-59.9	137.5	176.7	-166.1	-74.8	0	0	0	111.8	G504 I514 P515 D520 W521	G504-H518 WeakPolarHBondContact CA-CE1 3.4Å; G504-H518 VanDerWaalsContact CA-NE2 3.34Å; G504-H518 WeakPolarHBondContact CA-NE2 3.47Å; G504-H518 PolarHBondContact N-CE1 3.08Å; I514-H518 HydrophobicContact CD1-CB 3.84Å; I514-H518 HydrophobicContact CG1-CB 3.81Å; P515-H518 HydrophobicContact CG-CB 4.39Å; P515-H518 PolarHBondContact O-N 3.28Å; H518-D520 VanDerWaalsContact C-N 3.33Å; H518-D520 IonicContact CE1-OD2 3.99Å; H518-D520 PolarHBondContact ND1-N 3.29Å; H518-D520 VanDerWaalsContact ND1-N 3.16Å; H518-D520 PolarHBondContact O-N 3.49Å; H518-W521 WeakPolarHBondContact O-CB 3.25Å; H518-W521 VanDerWaalsContact O-CD1 3.3Å; H518-W521 PolarHBondContact O-N 3.16Å
519	E	98.4	Very high	98.2	Very high	151 Å²	151	61.6 Å²	61.6	71%	0.706	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-62.8	-34.9	-172.8	64.1	-178.7	174.6	0	0	114	W521 A522	E519-W521 PolarHBondContact O-N 3.24Å; E519-A522 PolarHBondContact O-N 2.99Å
520	D	98.5	Very high	98.2	Very high	25 Å²	25	61.6 Å²	61.6	13%	0.134	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-57.8	-20.2	178.2	-81.8	-0.1	0	0	0	114.1	Y465 L468 G504 H518 A522 S523	Y465-D520 WeakPolarHBondContact CB-O 3.42Å; Y465-D520 PolarHBondContact N-O 3.29Å; L468-D520 HydrophobicContact CD1-CB 3.84Å; G504-D520 WeakPolarHBondContact CA-OD2 3.47Å; G504-D520 PolarHBondContact N-OD2 3.21Å; H518-D520 VanDerWaalsContact C-N 3.33Å; H518-D520 IonicContact CE1-OD2 3.99Å; H518-D520 PolarHBondContact ND1-N 3.29Å; H518-D520 VanDerWaalsContact ND1-N 3.16Å; H518-D520 PolarHBondContact O-N 3.49Å; D520-A522 PolarHBondContact O-N 3.4Å; D520-A522 VanDerWaalsContact O-N 3.16Å; D520-S523 VanDerWaalsContact O-CB 3.28Å; D520-S523 WeakPolarHBondContact O-CB 3.42Å; D520-S523 PolarHBondContact O-N 3Å; D520-S523 VanDerWaalsContact O-N 3.08Å; D520-S523 PolarHBondContact O-OG 3.44Å
521	W	98.8	Very high	98.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-64.3	-15.1	173	-68.3	127.2	0	0	0	113.9	L468 I469 I514 P515 H518 E519 R529 C530 N531 M532 L534	L468-W521 HydrophobicContact CB-CH2 3.77Å; L468-W521 HydrophobicContact CB-CZ3 3.91Å; L468-W521 HydrophobicContact CD1-CD2 4.32Å; L468-W521 HydrophobicContact CD1-CE3 4.25Å; L468-W521 HydrophobicContact CD1-CH2 3.95Å; L468-W521 HydrophobicContact CD1-CZ2 4.04Å; L468-W521 HydrophobicContact CD1-CZ3 4.07Å; L468-W521 HydrophobicContact CD2-CH2 4.49Å; L468-W521 HydrophobicContact CG-CH2 4.3Å; I469-W521 HydrophobicContact CD1-CZ3 4.46Å; I469-W521 HydrophobicContact CG1-CZ3 4.12Å; I514-W521 HydrophobicContact CD1-CZ2 4.34Å; I514-W521 HydrophobicContact CG2-CZ2 4.05Å; P515-W521 PolarHBondContact O-NE1 3.07Å; P515-W521 VanDerWaalsContact O-NE1 3.1Å; H518-W521 WeakPolarHBondContact O-CB 3.25Å; H518-W521 VanDerWaalsContact O-CD1 3.3Å; H518-W521 PolarHBondContact O-N 3.16Å; E519-W521 PolarHBondContact O-N 3.24Å; W521-R529 CarbonylContact O-C 3.4Å; W521-R529 VanDerWaalsContact O-CA 3.29Å; W521-R529 WeakPolarHBondContact O-CA 3.43Å; W521-C530 PolarHBondContact O-N 3.26Å; W521-N531 HydrophobicContact CB-CB 4.49Å; W521-M532 HydrophobicContact CD2-CG 4.44Å; W521-M532 HydrophobicContact CE3-CG 4.35Å; W521-M532 HydrophobicContact CH2-CG 3.54Å; W521-M532 HydrophobicContact CH2-SD 4.09Å; W521-M532 HydrophobicContact CZ2-CG 3.59Å; W521-M532 VanDerWaalsContact CZ2-O 3.26Å; W521-M532 WeakPolarHBondContact CZ2-O 3.24Å; W521-M532 HydrophobicContact CZ3-CE 4.44Å; W521-M532 HydrophobicContact CZ3-CG 3.94Å; W521-M532 HydrophobicContact CZ3-SD 4.3Å; W521-M532 PolarHBondContact NE1-O 3.22Å; W521-L534 HydrophobicContact CH2-CD1 3.54Å; W521-L534 HydrophobicContact CH2-CG 4.14Å; W521-L534 HydrophobicContact CZ2-CD1 3.89Å; W521-L534 HydrophobicContact CZ2-CG 4.11Å
522	A	98.3	Very high	98.2	Very high	21 Å²	21	56.2 Å²	56.2	17%	0.174	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-121.2	26.8	173.2	0	0	0	0	0	111.8	E519 D520 N524 G525 R529	E519-A522 PolarHBondContact O-N 2.99Å; D520-A522 PolarHBondContact O-N 3.4Å; D520-A522 VanDerWaalsContact O-N 3.16Å; A522-N524 PolarHBondContact O-N 3.31Å; A522-G525 PolarHBondContact O-N 3.33Å; A522-R529 HydrophobicContact CB-CB 4.32Å; A522-R529 HydrophobicContact CB-CG 4.07Å
523	S	98.1	Very high	98.2	Very high	31 Å²	31	58.7 Å²	58.7	22%	0.217	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-22	-172.5	65.4	0	0	0	0	114.8	K462 G464 Y465 D520	K462-S523 WeakPolarHBondContact CB-O 3.48Å; K462-S523 CarbonylContact O-C 3.58Å; K462-S523 WeakPolarHBondContact O-CB 3.18Å; K462-S523 PolarHBondContact O-OG 2.9Å; G464-S523 WeakPolarHBondContact CA-OG 3.38Å; G464-S523 PolarHBondContact N-OG 2.7Å; Y465-S523 WeakPolarHBondContact CD1-OG 3.48Å; Y465-S523 PolarHBondContact N-OG 3.2Å; D520-S523 VanDerWaalsContact O-CB 3.28Å; D520-S523 WeakPolarHBondContact O-CB 3.42Å; D520-S523 PolarHBondContact O-N 3Å; D520-S523 VanDerWaalsContact O-N 3.08Å; D520-S523 PolarHBondContact O-OG 3.44Å
524	N	97.5	Very high	98.2	Very high	57 Å²	57	56.7 Å²	56.7	31%	0.305	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	20.8	174.7	-155.8	32.4	0	0	0	113.8	K462 Y465 A522 E528	K462-N524 HydrophobicContact CB-CB 4.09Å; K462-N524 VanDerWaalsContact CB-OD1 3.32Å; K462-N524 WeakPolarHBondContact CB-OD1 3.25Å; K462-N524 WeakPolarHBondContact CD-OD1 3.39Å; Y465-N524 HydrophobicContact CE1-CB 4.17Å; A522-N524 PolarHBondContact O-N 3.31Å; N524-E528 HydrophobicContact CB-CB 4.47Å; N524-E528 WeakPolarHBondContact CB-OE2 3.28Å; N524-E528 PolarHBondContact ND2-OE1 3.39Å; N524-E528 PolarHBondContact ND2-OE2 2.9Å
525	G	97.6	Very high	98.2	Very high	33 Å²	33	61.8 Å²	61.8	34%	0.34	33%	0.327	S	S	.	.			trans	92.8	177	179	0	0	0	0	0	114.2	A522 E527 E528 R529	A522-G525 PolarHBondContact O-N 3.33Å; G525-E527 VanDerWaalsContact C-N 3.33Å; G525-E527 PolarHBondContact O-N 2.88Å; G525-E528 PolarHBondContact O-N 3.43Å; G525-R529 PolarHBondContact O-N 2.89Å
526	E	97.3	Very high	98.2	Very high	135 Å²	135	60.4 Å²	60.4	63%	0.631	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-68	-27	-169.3	-67.8	-63.8	123.6	0	0	114.2	E528 R529	E526-E528 VanDerWaalsContact C-N 3.27Å; E526-E528 PolarHBondContact O-N 3.26Å; E526-R529 WeakPolarHBondContact O-CB 3.38Å; E526-R529 PolarHBondContact O-N 3.02Å; E526-R529 IonicContact OE1-CZ 2.76Å; E526-R529 IonicContact OE1-NH1 2.73Å; E526-R529 PolarHBondContact OE1-NH1 3.32Å; E526-R529 WeakPolarHBondContact OE2-CD 3.29Å; E526-R529 IonicContact OE2-NE 2.79Å; E526-R529 IonicContact OE2-NH1 2.97Å
527	E	96.9	Very high	98	Very high	171 Å²	171	59.1 Å²	59.1	80%	0.799	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-66.9	-29.5	179	-65.4	-173.3	178.2	0	0	113	S423 G525	S423-E527 WeakPolarHBondContact CB-O 3.38Å; S423-E527 PolarHBondContact OG-O 2.89Å; G525-E527 VanDerWaalsContact C-N 3.33Å; G525-E527 PolarHBondContact O-N 2.88Å
528	E	97.8	Very high	98	Very high	27 Å²	27	53.5 Å²	53.5	13%	0.126	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-108.5	13.2	-179.7	-64.7	-178	-171.6	0	0	112.1	A424 K427 Y465 N524 G525 E526	A424-E528 WeakPolarHBondContact CB-O 3.33Å; K427-E528 VanDerWaalsContact CE-OE1 3.23Å; K427-E528 WeakPolarHBondContact CE-OE1 3.47Å; K427-E528 HydrophobicContact CG-CG 4.42Å; Y465-E528 HydrophobicContact CE1-CB 4Å; Y465-E528 PolarHBondContact OH-OE2 2.77Å; N524-E528 HydrophobicContact CB-CB 4.47Å; N524-E528 WeakPolarHBondContact CB-OE2 3.28Å; N524-E528 PolarHBondContact ND2-OE1 3.39Å; N524-E528 PolarHBondContact ND2-OE2 2.9Å; G525-E528 PolarHBondContact O-N 3.43Å; E526-E528 VanDerWaalsContact C-N 3.27Å; E526-E528 PolarHBondContact O-N 3.26Å
529	R	98.4	Very high	98	Very high	91 Å²	91	57.3 Å²	57.3	34%	0.343	29%	0.294	S	S	.	.			trans	-64.6	133.7	-179.2	-180	172.2	-175.9	108	14.5	111.6	Y421 W521 A522 G525 E526 N531	Y421-R529 WeakPolarHBondContact CD1-O 3.48Å; W521-R529 CarbonylContact O-C 3.4Å; W521-R529 VanDerWaalsContact O-CA 3.29Å; W521-R529 WeakPolarHBondContact O-CA 3.43Å; A522-R529 HydrophobicContact CB-CB 4.32Å; A522-R529 HydrophobicContact CB-CG 4.07Å; G525-R529 PolarHBondContact O-N 2.89Å; E526-R529 WeakPolarHBondContact O-CB 3.38Å; E526-R529 PolarHBondContact O-N 3.02Å; E526-R529 IonicContact OE1-CZ 2.76Å; E526-R529 IonicContact OE1-NH1 2.73Å; E526-R529 PolarHBondContact OE1-NH1 3.32Å; E526-R529 WeakPolarHBondContact OE2-CD 3.29Å; E526-R529 IonicContact OE2-NE 2.79Å; E526-R529 IonicContact OE2-NH1 2.97Å; R529-N531 WeakPolarHBondContact CD-OD1 3.49Å; R529-N531 WeakPolarHBondContact CG-OD1 3.35Å; R529-N531 PolarHBondContact NE-OD1 2.97Å; R529-N531 PolarHBondContact NH2-ND2 2.96Å; R529-N531 PolarHBondContact NH2-OD1 3.03Å; R529-N531 VanDerWaalsContact NH2-OD1 3.15Å
530	C	98.5	Very high	98	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.262	C	S	.	.			trans	-145.7	60.9	-178.9	60.5	0	0	0	0	114.7	L418 Y421 A424 Y465 W521 M532	L418-C530 HydrophobicContact CD1-CB 4.23Å; Y421-C530 HydrophobicContact CD1-CB 4.15Å; Y421-C530 HydrophobicContact CD2-CB 3.6Å; Y421-C530 HydrophobicContact CE2-CB 4.2Å; Y421-C530 HydrophobicContact CG-CB 3.55Å; A424-C530 HydrophobicContact CB-CB 3.62Å; Y465-C530 WeakPolarHBondContact CD2-SG 3.38Å; W521-C530 PolarHBondContact O-N 3.26Å; C530-M532 HydrophobicContact CB-CE 4.14Å; C530-M532 WeakPolarHBondContact O-CE 3.23Å; C530-M532 PolarHBondContact O-N 3.31Å
531	N	98.6	Very high	98	Very high	28 Å²	28	53.7 Å²	53.7	15%	0.15	28%	0.275	C	S	.	.			trans	-57.4	126.2	-179.5	-63.4	82.1	0	0	0	112.8	Y421 E516 W521 R529	Y421-N531 WeakPolarHBondContact CE2-O 3.45Å; Y421-N531 PolarHBondContact OH-O 2.73Å; E516-N531 VanDerWaalsContact O-CB 3.25Å; E516-N531 WeakPolarHBondContact O-CB 3.22Å; E516-N531 PolarHBondContact O-ND2 3.24Å; W521-N531 HydrophobicContact CB-CB 4.49Å; R529-N531 WeakPolarHBondContact CD-OD1 3.49Å; R529-N531 WeakPolarHBondContact CG-OD1 3.35Å; R529-N531 PolarHBondContact NE-OD1 2.97Å; R529-N531 PolarHBondContact NH2-ND2 2.96Å; R529-N531 PolarHBondContact NH2-OD1 3.03Å; R529-N531 VanDerWaalsContact NH2-OD1 3.15Å
532	M	98.4	Very high	98	Very high	8 Å²	8	53.8 Å²	53.8	4%	0.039	28%	0.276	C	S	.	.			trans	-157.4	151.4	174.1	61.1	-173.8	78.3	0	0	111	L414 K417 L418 Y421 E516 W521 C530 L534	L414-M532 HydrophobicContact CD1-SD 3.91Å; K417-M532 HydrophobicContact CB-CE 4.39Å; K417-M532 HydrophobicContact CB-SD 4.11Å; K417-M532 HydrophobicContact CD-CB 4.41Å; L418-M532 HydrophobicContact CD1-CE 3.92Å; Y421-M532 HydrophobicContact CD2-CE 4.33Å; Y421-M532 HydrophobicContact CE2-CE 4.41Å; E516-M532 WeakPolarHBondContact CA-O 3.34Å; W521-M532 HydrophobicContact CD2-CG 4.44Å; W521-M532 HydrophobicContact CE3-CG 4.35Å; W521-M532 HydrophobicContact CH2-CG 3.54Å; W521-M532 HydrophobicContact CH2-SD 4.09Å; W521-M532 HydrophobicContact CZ2-CG 3.59Å; W521-M532 VanDerWaalsContact CZ2-O 3.26Å; W521-M532 WeakPolarHBondContact CZ2-O 3.24Å; W521-M532 HydrophobicContact CZ3-CE 4.44Å; W521-M532 HydrophobicContact CZ3-CG 3.94Å; W521-M532 HydrophobicContact CZ3-SD 4.3Å; W521-M532 PolarHBondContact NE1-O 3.22Å; C530-M532 HydrophobicContact CB-CE 4.14Å; C530-M532 WeakPolarHBondContact O-CE 3.23Å; C530-M532 PolarHBondContact O-N 3.31Å; M532-L534 HydrophobicContact CG-CD2 4.1Å; M532-L534 HydrophobicContact CG-CG 4.13Å; M532-L534 HydrophobicContact SD-CD2 3.88Å; M532-L534 HydrophobicContact SD-CG 4.39Å
533	S	98.4	Very high	98	Very high	59 Å²	59	53 Å²	53	41%	0.413	27%	0.27	S	S	.	.			trans	-88.2	132	167.8	-179.5	0	0	0	0	110.2	K417 I514	K417-S533 PolarHBondContact NZ-O 3.32Å; I514-S533 WeakPolarHBondContact O-CA 3.18Å
534	L	98.8	Very high	98.1	Very high	9 Å²	9	52.2 Å²	52.2	5%	0.047	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	148.8	175.4	-56.1	176.6	0	0	0	110.6	L414 A472 F508 S513 I514 W521 M532	L414-L534 HydrophobicContact CD1-CD2 3.66Å; A472-L534 HydrophobicContact CB-CD1 3.83Å; F508-L534 HydrophobicContact CD2-CB 4.21Å; F508-L534 HydrophobicContact CE2-CB 3.66Å; F508-L534 HydrophobicContact CZ-CB 4.05Å; S513-L534 CarbonylContact C-O 3.01Å; S513-L534 WeakPolarHBondContact CA-O 3.32Å; I514-L534 HydrophobicContact CG2-CB 3.76Å; I514-L534 HydrophobicContact CG2-CD1 4.33Å; I514-L534 HydrophobicContact CG2-CG 4.25Å; I514-L534 PolarHBondContact N-O 3.47Å; I514-L534 PolarHBondContact O-N 3.21Å; W521-L534 HydrophobicContact CH2-CD1 3.54Å; W521-L534 HydrophobicContact CH2-CG 4.14Å; W521-L534 HydrophobicContact CZ2-CD1 3.89Å; W521-L534 HydrophobicContact CZ2-CG 4.11Å; M532-L534 HydrophobicContact CG-CD2 4.1Å; M532-L534 HydrophobicContact CG-CG 4.13Å; M532-L534 HydrophobicContact SD-CD2 3.88Å; M532-L534 HydrophobicContact SD-CG 4.39Å
535	T	98.6	Very high	98.1	Very high	109 Å²	109	50.9 Å²	50.9	67%	0.669	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.3	148.7	175.9	57.1	0	0	0	0	111.1	G512	G512-T535 CarbonylContact O-C 3.59Å; G512-T535 VanDerWaalsContact O-CA 3.23Å; G512-T535 WeakPolarHBondContact O-CA 3.27Å
536	H	98.5	Very high	98.2	Very high	26 Å²	26	55 Å²	55	12%	0.12	27%	0.274	C	S	.	.			trans	-136.7	160.7	167.8	73	75	0	0	0	111.1	L475 F508 V509 G512 F538	L475-H536 HydrophobicContact CB-CB 4.36Å; L475-H536 HydrophobicContact CD1-CB 4.08Å; L475-H536 WeakPolarHBondContact CD1-CD2 3.45Å; F508-H536 AromaticContact CE1-CD2 3.96Å; F508-H536 HydrophobicContact CE2-CB 4.43Å; F508-H536 AromaticContact CE2-CD2 3.64Å; F508-H536 HydrophobicContact CZ-CB 4.14Å; F508-H536 AromaticContact CZ-CD2 3.62Å; F508-H536 PolarHBondContact O-CD2 3.35Å; F508-H536 PolarHBondContact O-NE2 3.06Å; V509-H536 WeakPolarHBondContact CA-NE2 3.38Å; V509-H536 PolarHBondContact O-CE1 3.44Å; V509-H536 VanDerWaalsContact O-CE1 3.26Å; V509-H536 PolarHBondContact O-NE2 3.14Å; V509-H536 VanDerWaalsContact O-NE2 3.1Å; G512-H536 WeakPolarHBondContact CA-NE2 3.37Å; G512-H536 PolarHBondContact O-N 3.38Å; H536-F538 PolarHBondContact CE1-O 3.43Å; H536-F538 VanDerWaalsContact CE1-O 3.26Å; H536-F538 PolarHBondContact ND1-N 3.4Å; H536-F538 PolarHBondContact ND1-O 3.32Å
537	F	94.3	Very high	98.2	Very high	100 Å²	100	49.9 Å²	49.9	44%	0.439	25%	0.253	S	S	.	.			trans	-91.5	-22.7	-172.9	78.5	-69.4	0	0	0	114.1	R479	R479-F537 HydrophobicContact CB-CD1 4.19Å; R479-F537 HydrophobicContact CB-CE1 3.37Å; R479-F537 HydrophobicContact CB-CZ 3.95Å; R479-F537 HydrophobicContact CG-CD1 3.8Å; R479-F537 HydrophobicContact CG-CE1 3.21Å; R479-F537 HydrophobicContact CG-CZ 3.59Å
538	F	97.9	Very high	98.3	Very high	8 Å²	8	45.9 Å²	45.9	4%	0.035	25%	0.249	C	C	.	.			trans	-60	148.8	-177.8	-66	-73.2	0	0	0	113	L475 I478 R479 V491 H536 L540	L475-F538 HydrophobicContact CB-CD2 4.41Å; L475-F538 HydrophobicContact CB-CE2 4.43Å; L475-F538 HydrophobicContact CD2-CD2 3.99Å; L475-F538 HydrophobicContact CD2-CE2 4.25Å; L475-F538 WeakPolarHBondContact O-CE2 3.35Å; I478-F538 HydrophobicContact CB-CE2 4.35Å; I478-F538 HydrophobicContact CB-CZ 4.28Å; I478-F538 HydrophobicContact CG2-CE2 4.18Å; I478-F538 HydrophobicContact CG2-CZ 3.72Å; R479-F538 HydrophobicContact CB-CE2 4.36Å; R479-F538 HydrophobicContact CB-CZ 4.38Å; V491-F538 HydrophobicContact CB-CE1 4.35Å; V491-F538 HydrophobicContact CG2-CD1 4.48Å; V491-F538 HydrophobicContact CG2-CE1 3.6Å; V491-F538 HydrophobicContact CG2-CZ 4Å; H536-F538 PolarHBondContact CE1-O 3.43Å; H536-F538 VanDerWaalsContact CE1-O 3.26Å; H536-F538 PolarHBondContact ND1-N 3.4Å; H536-F538 PolarHBondContact ND1-O 3.32Å; F538-L540 HydrophobicContact CB-CD1 4.06Å; F538-L540 HydrophobicContact CB-CD2 3.98Å; F538-L540 HydrophobicContact CB-CG 3.66Å; F538-L540 HydrophobicContact CG-CD2 4.43Å; F538-L540 HydrophobicContact CG-CG 4.46Å
539	K	98.4	Very high	98.3	Very high	114 Å²	114	45.8 Å²	45.8	50%	0.496	25%	0.248	S	C	.	.			trans	-107	83.4	168.7	-59.9	-56.4	178.7	-168.6	0	108.5	L567	K539-L567 HydrophobicContact CB-CB 4.5Å; K539-L567 WeakPolarHBondContact O-CB 3.43Å; K539-L567 PolarHBondContact O-N 3.06Å
540	L	98.7	Very high	98.4	Very high	6 Å²	6	41.5 Å²	41.5	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	146.1	-174.7	-60.8	176.2	0	0	0	111.6	L475 V509 F538 F564 I565	L475-L540 HydrophobicContact CD2-CD1 3.88Å; V509-L540 HydrophobicContact CG1-CB 4.12Å; V509-L540 HydrophobicContact CG1-CD1 3.9Å; F538-L540 HydrophobicContact CB-CD1 4.06Å; F538-L540 HydrophobicContact CB-CD2 3.98Å; F538-L540 HydrophobicContact CB-CG 3.66Å; F538-L540 HydrophobicContact CG-CD2 4.43Å; F538-L540 HydrophobicContact CG-CG 4.46Å; L540-F564 HydrophobicContact CB-CB 4.39Å; L540-F564 HydrophobicContact CD1-CB 4.42Å; L540-I565 WeakPolarHBondContact CA-O 3.4Å
541	K	98.4	Very high	98.4	Very high	94 Å²	94	41.9 Å²	41.9	41%	0.409	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	143.1	168.5	172.8	-173.7	173.5	-170.1	0	109.2	A543 F564 I565 L567	K541-A543 PolarHBondContact O-N 3.47Å; K541-F564 WeakPolarHBondContact O-CA 3.49Å; K541-I565 PolarHBondContact N-O 3.02Å; K541-I565 PolarHBondContact O-N 3.21Å; K541-L567 HydrophobicContact CB-CD1 3.8Å; K541-L567 HydrophobicContact CB-CD2 3.56Å; K541-L567 HydrophobicContact CB-CG 3.67Å; K541-L567 HydrophobicContact CD-CD2 3.74Å; K541-L567 HydrophobicContact CG-CD2 4.26Å
542	S	98.8	Very high	98.4	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	112.1	164.3	178.2	0	0	0	0	110.2	C544 G545	S542-C544 VanDerWaalsContact C-N 3.31Å; S542-C544 PolarHBondContact O-N 3.33Å; S542-G545 WeakPolarHBondContact CB-O 3.22Å; S542-G545 PolarHBondContact O-N 2.94Å; S542-G545 VanDerWaalsContact O-N 3.09Å; S542-G545 PolarHBondContact OG-N 3Å; S542-G545 PolarHBondContact OG-O 2.78Å
543	A	98.8	Very high	98.4	Very high	4 Å²	4	43 Å²	43	3%	0.033	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-38.3	-177.4	0	0	0	0	0	112.6	K541 G545 I563 I565 V572 V575 L606	K541-A543 PolarHBondContact O-N 3.47Å; A543-G545 VanDerWaalsContact C-N 3.28Å; A543-I563 HydrophobicContact CB-CB 4.24Å; A543-I563 HydrophobicContact CB-CG2 4.18Å; A543-I563 VanDerWaalsContact CB-O 3.32Å; A543-I563 WeakPolarHBondContact CB-O 3.48Å; A543-I563 PolarHBondContact N-O 3.16Å; A543-I565 HydrophobicContact CB-CD1 4.22Å; A543-I565 HydrophobicContact CB-CG1 4.41Å; A543-I565 HydrophobicContact CB-CG2 3.99Å; A543-V572 HydrophobicContact CB-CG2 3.79Å; A543-V575 WeakPolarHBondContact O-CG2 3.29Å; A543-L606 HydrophobicContact CB-CD2 3.98Å
544	C	98.6	Very high	98.1	Very high	14 Å²	14	42.2 Å²	42.2	10%	0.095	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	5.8	177.7	-62.3	0	0	0	0	113.2	S542 V575 L602	S542-C544 VanDerWaalsContact C-N 3.31Å; S542-C544 PolarHBondContact O-N 3.33Å; C544-V575 HydrophobicContact CB-CG1 4.1Å; C544-L602 HydrophobicContact CB-CD1 4.29Å; C544-L602 HydrophobicContact CB-CD2 4.11Å
545	G	98.6	Very high	97.9	Very high	30 Å²	30	46 Å²	46	31%	0.309	28%	0.281	S	S	.	.			trans	70.2	-144.8	-176.3	0	0	0	0	0	112.7	S542 A543 P547	S542-G545 WeakPolarHBondContact CB-O 3.22Å; S542-G545 PolarHBondContact O-N 2.94Å; S542-G545 VanDerWaalsContact O-N 3.09Å; S542-G545 PolarHBondContact OG-N 3Å; S542-G545 PolarHBondContact OG-O 2.78Å; A543-G545 VanDerWaalsContact C-N 3.28Å; G545-P547 WeakPolarHBondContact O-CD 3.5Å
546	E	98.8	Very high	97.9	Very high	118 Å²	118	45.3 Å²	45.3	55%	0.551	27%	0.269	S	S	*	.			trans	-123.9	77.6	-177.5	-66.3	160.8	-162.2	0	0	108.4	P501 Y506	P501-E546 HydrophobicContact CB-CB 4.49Å; P501-E546 HydrophobicContact CB-CG 4Å; P501-E546 HydrophobicContact CG-CB 3.99Å; P501-E546 HydrophobicContact CG-CG 3.86Å; Y506-E546 HydrophobicContact CE1-CG 4.45Å; Y506-E546 WeakPolarHBondContact CE1-OE1 3.24Å; Y506-E546 VanDerWaalsContact OH-CG 3.22Å; Y506-E546 WeakPolarHBondContact OH-CG 3.47Å; Y506-E546 PolarHBondContact OH-OE1 2.94Å
547	P	98.6	Very high	97.9	Very high	29 Å²	29	49.4 Å²	49.4	19%	0.188	29%	0.288	C	S	.	.			trans	-54.1	158.1	176.1	-25.5	34.4	0	0	0	112.1	G545 Y549 T550 C559 L578 L602	G545-P547 WeakPolarHBondContact O-CD 3.5Å; P547-Y549 PolarHBondContact O-N 3.47Å; P547-T550 HydrophobicContact CB-CG2 4.27Å; P547-T550 HydrophobicContact CG-CG2 4.11Å; P547-C559 WeakPolarHBondContact O-CB 3.21Å; P547-L578 HydrophobicContact CB-CD2 3.86Å; P547-L578 HydrophobicContact CG-CD1 4.36Å; P547-L578 HydrophobicContact CG-CD2 4.11Å; P547-L602 HydrophobicContact CG-CD2 4.47Å
548	A	98.4	Very high	98.1	Very high	87 Å²	87	44.9 Å²	44.9	72%	0.719	27%	0.27	S	S	*	.	S	Bend	trans	-55.2	-37.3	174.1	0	0	0	0	0	111.7
549	Y	98.8	Very high	98.1	Very high	25 Å²	25	44.7 Å²	44.7	10%	0.098	27%	0.269	C	S	.	.			trans	-160.1	155.6	173.4	46.9	-98.3	0	0	0	110.4	P547 Y552 H557 G558 L578 H581 V584 I600	P547-Y549 PolarHBondContact O-N 3.47Å; Y549-Y552 AromaticContact CD1-CD2 3.73Å; Y549-Y552 HydrophobicContact CD1-CD2 3.73Å; Y549-Y552 HydrophobicContact CD1-CE2 4.14Å; Y549-Y552 AromaticContact CD2-CD2 3.76Å; Y549-Y552 HydrophobicContact CD2-CD2 3.76Å; Y549-Y552 HydrophobicContact CD2-CG 4.27Å; Y549-Y552 AromaticContact CE1-CD2 3.77Å; Y549-Y552 HydrophobicContact CE1-CD2 3.77Å; Y549-Y552 AromaticContact CE1-CE2 3.92Å; Y549-Y552 HydrophobicContact CE1-CE2 3.92Å; Y549-Y552 AromaticContact CE2-CD2 3.81Å; Y549-Y552 HydrophobicContact CE2-CD2 3.81Å; Y549-Y552 HydrophobicContact CE2-CG 4.3Å; Y549-Y552 AromaticContact CG-CD2 3.74Å; Y549-Y552 HydrophobicContact CG-CD2 3.74Å; Y549-Y552 AromaticContact CZ-CD2 3.81Å; Y549-H557 HydrophobicContact CG-CB 4.44Å; Y549-G558 WeakPolarHBondContact CA-O 3.42Å; Y549-L578 WeakPolarHBondContact O-CD2 3.44Å; Y549-H581 AromaticContact CE1-ND1 3.74Å; Y549-H581 AromaticContact CZ-ND1 3.64Å; Y549-H581 WeakPolarHBondContact OH-CA 3.38Å; Y549-H581 PolarHBondContact OH-ND1 3.35Å; Y549-V584 HydrophobicContact CE2-CB 4.48Å; Y549-V584 HydrophobicContact CE2-CG1 4.05Å; Y549-V584 HydrophobicContact CE2-CG2 4.11Å; Y549-I600 HydrophobicContact CD2-CD1 3.99Å; Y549-I600 HydrophobicContact CE2-CD1 3.87Å
550	T	98.9	Very high	98.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-123	-18.6	167.5	61.5	0	0	0	0	111	P547 G558 L560 D561 L578 H599 I600 L602	P547-T550 HydrophobicContact CB-CG2 4.27Å; P547-T550 HydrophobicContact CG-CG2 4.11Å; T550-G558 PolarHBondContact N-O 3.33Å; T550-L560 PolarHBondContact OG1-N 3.29Å; T550-D561 WeakPolarHBondContact CB-OD2 3.18Å; T550-D561 HydrophobicContact CG2-CB 4.26Å; T550-D561 PolarHBondContact OG1-N 3.03Å; T550-D561 PolarHBondContact OG1-OD2 2.85Å; T550-L578 HydrophobicContact CG2-CD2 4.5Å; T550-H599 CarbonylContact O-C 3.56Å; T550-H599 WeakPolarHBondContact O-CA 3.21Å; T550-I600 PolarHBondContact O-N 3.26Å; T550-L602 HydrophobicContact CG2-CD2 3.86Å; T550-L602 HydrophobicContact CG2-CG 4.44Å
551	N	98.9	Very high	98.1	Very high	8 Å²	8	39.4 Å²	39.4	4%	0.043	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.8	164.4	177.4	-85.4	0	0	0	109.7	F556 H557 G558 L560 D598 H599	N551-F556 WeakPolarHBondContact OD1-CD1 3.23Å; N551-H557 VanDerWaalsContact O-CA 3.26Å; N551-H557 WeakPolarHBondContact O-CA 3.33Å; N551-G558 PolarHBondContact N-O 2.97Å; N551-G558 PolarHBondContact O-N 2.97Å; N551-G558 VanDerWaalsContact O-N 3.08Å; N551-L560 HydrophobicContact CB-CD1 3.95Å; N551-L560 HydrophobicContact CB-CG 4.38Å; N551-D598 WeakPolarHBondContact CA-O 3.35Å; N551-D598 PolarHBondContact ND2-O 3.21Å; N551-D598 PolarHBondContact ND2-OD2 3.06Å; N551-H599 PolarHBondContact ND2-CD2 3.41Å; N551-H599 PolarHBondContact ND2-NE2 2.92Å
552	Y	98.8	Very high	98.2	Very high	34 Å²	34	35 Å²	35	13%	0.133	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	100.7	-178.8	-165.6	-80.6	0	0	0	112.6	Y549 H557 H581 V584 T585 A589 L590 D598	Y549-Y552 AromaticContact CD1-CD2 3.73Å; Y549-Y552 HydrophobicContact CD1-CD2 3.73Å; Y549-Y552 HydrophobicContact CD1-CE2 4.14Å; Y549-Y552 AromaticContact CD2-CD2 3.76Å; Y549-Y552 HydrophobicContact CD2-CD2 3.76Å; Y549-Y552 HydrophobicContact CD2-CG 4.27Å; Y549-Y552 AromaticContact CE1-CD2 3.77Å; Y549-Y552 HydrophobicContact CE1-CD2 3.77Å; Y549-Y552 AromaticContact CE1-CE2 3.92Å; Y549-Y552 HydrophobicContact CE1-CE2 3.92Å; Y549-Y552 AromaticContact CE2-CD2 3.81Å; Y549-Y552 HydrophobicContact CE2-CD2 3.81Å; Y549-Y552 HydrophobicContact CE2-CG 4.3Å; Y549-Y552 AromaticContact CG-CD2 3.74Å; Y549-Y552 HydrophobicContact CG-CD2 3.74Å; Y549-Y552 AromaticContact CZ-CD2 3.81Å; Y552-H557 HydrophobicContact CD2-CB 3.42Å; Y552-H557 VanDerWaalsContact CD2-CB 3.42Å; Y552-H557 HydrophobicContact CE2-CB 3.85Å; Y552-H557 AromaticContact CE2-CD2 3.96Å; Y552-H557 AromaticContact CE2-CG 3.93Å; Y552-H557 HydrophobicContact CG-CB 4.11Å; Y552-H581 AromaticContact CE2-CE1 3.85Å; Y552-H581 AromaticContact CZ-CE1 3.87Å; Y552-H581 PolarHBondContact OH-CE1 3.38Å; Y552-V584 HydrophobicContact CD1-CG1 3.54Å; Y552-V584 HydrophobicContact CD2-CG1 4.16Å; Y552-V584 HydrophobicContact CE1-CG1 4.08Å; Y552-V584 HydrophobicContact CG-CG1 3.6Å; Y552-T585 HydrophobicContact CE1-CG2 3.94Å; Y552-A589 HydrophobicContact CD1-CB 3.73Å; Y552-A589 HydrophobicContact CE1-CB 3.8Å; Y552-L590 VanDerWaalsContact O-CB 3.27Å; Y552-L590 WeakPolarHBondContact O-CB 3.46Å; Y552-L590 PolarHBondContact O-N 3.4Å; Y552-D598 PolarHBondContact N-O 3.22Å
553	V	98.1	Very high	98.2	Very high	27 Å²	27	34.8 Å²	34.8	16%	0.164	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	167.8	-179.4	-61.8	0	0	0	0	112.3	Y318 Y320 G555 F556 D598	Y318-V553 HydrophobicContact CE1-CG1 3.97Å; Y320-V553 WeakPolarHBondContact OH-CA 3.46Å; V553-G555 PolarHBondContact O-N 3.46Å; V553-F556 CarbonylContact C-O 3.44Å; V553-F556 HydrophobicContact CG2-CB 3.9Å; V553-F556 HydrophobicContact CG2-CD1 4.48Å; V553-F556 VanDerWaalsContact CG2-O 3.29Å; V553-F556 WeakPolarHBondContact CG2-O 3.37Å; V553-F556 PolarHBondContact N-O 3.38Å; V553-F556 PolarHBondContact O-N 2.91Å; V553-D598 HydrophobicContact CG1-CB 3.58Å
554	G	92.6	Very high	98.2	Very high	42 Å²	42	34.6 Å²	34.6	43%	0.433	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	97.5	170.5	0	0	0	0	0	112.1	Y320	Y320-G554 PolarHBondContact OH-N 2.84Å
555	G	94.8	Very high	98.2	Very high	89 Å²	89	34 Å²	34	92%	0.918	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	110.7	-8.1	176.4	0	0	0	0	0	115.4	V553	V553-G555 PolarHBondContact O-N 3.46Å
556	F	97.8	Very high	98.2	Very high	94 Å²	94	33.5 Å²	33.5	41%	0.412	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	141.3	174.4	174.6	-93.3	0	0	0	111.1	N551 V553 L560	N551-F556 WeakPolarHBondContact OD1-CD1 3.23Å; V553-F556 CarbonylContact C-O 3.44Å; V553-F556 HydrophobicContact CG2-CB 3.9Å; V553-F556 HydrophobicContact CG2-CD1 4.48Å; V553-F556 VanDerWaalsContact CG2-O 3.29Å; V553-F556 WeakPolarHBondContact CG2-O 3.37Å; V553-F556 PolarHBondContact N-O 3.38Å; V553-F556 PolarHBondContact O-N 2.91Å; F556-L560 HydrophobicContact CE1-CD1 3.85Å; F556-L560 HydrophobicContact CE1-CG 4.43Å; F556-L560 HydrophobicContact CZ-CD1 4.19Å; F556-L560 HydrophobicContact CZ-CD2 4.19Å; F556-L560 HydrophobicContact CZ-CG 4.5Å
557	H	98.2	Very high	98.1	Very high	111 Å²	111	31 Å²	31	51%	0.514	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	144.6	165.7	58.6	77	0	0	0	109.7	Y549 N551 Y552	Y549-H557 HydrophobicContact CG-CB 4.44Å; N551-H557 VanDerWaalsContact O-CA 3.26Å; N551-H557 WeakPolarHBondContact O-CA 3.33Å; Y552-H557 HydrophobicContact CD2-CB 3.42Å; Y552-H557 VanDerWaalsContact CD2-CB 3.42Å; Y552-H557 HydrophobicContact CE2-CB 3.85Å; Y552-H557 AromaticContact CE2-CD2 3.96Å; Y552-H557 AromaticContact CE2-CG 3.93Å; Y552-H557 HydrophobicContact CG-CB 4.11Å
558	G	98.4	Very high	98.1	Very high	6 Å²	6	34.9 Å²	34.9	6%	0.062	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.7	158.8	-179.4	0	0	0	0	0	112.9	Y549 T550 N551 L560	Y549-G558 WeakPolarHBondContact CA-O 3.42Å; T550-G558 PolarHBondContact N-O 3.33Å; N551-G558 PolarHBondContact N-O 2.97Å; N551-G558 PolarHBondContact O-N 2.97Å; N551-G558 VanDerWaalsContact O-N 3.08Å; G558-L560 PolarHBondContact O-N 2.84Å
559	C	98.8	Very high	98	Very high	3 Å²	3	32 Å²	32	2%	0.02	20%	0.195	C	C	.	.			trans	-81.7	104.4	170.6	179	0	0	0	0	108.2	S499 T500 P501 P547 Y562	S499-C559 VanDerWaalsContact O-O 3.08Å; T500-C559 WeakPolarHBondContact CA-O 3.36Å; P501-C559 HydrophobicContact CG-CB 4.21Å; P547-C559 WeakPolarHBondContact O-CB 3.21Å; C559-Y562 PolarHBondContact O-OH 3.1Å; C559-Y562 WeakPolarHBondContact SG-CE1 3.13Å
560	L	98.9	Very high	98	Very high	9 Å²	9	30.8 Å²	30.8	5%	0.047	19%	0.191	C	C	.	.			trans	-113.7	-21.8	-177.2	-57.4	-173.8	0	0	0	112.4	F497 T500 T550 N551 F556 G558	F497-L560 PolarHBondContact N-O 3.32Å; T500-L560 HydrophobicContact CG2-CD2 4.06Å; T550-L560 PolarHBondContact OG1-N 3.29Å; N551-L560 HydrophobicContact CB-CD1 3.95Å; N551-L560 HydrophobicContact CB-CG 4.38Å; F556-L560 HydrophobicContact CE1-CD1 3.85Å; F556-L560 HydrophobicContact CE1-CG 4.43Å; F556-L560 HydrophobicContact CZ-CD1 4.19Å; F556-L560 HydrophobicContact CZ-CD2 4.19Å; F556-L560 HydrophobicContact CZ-CG 4.5Å; G558-L560 PolarHBondContact O-N 2.84Å
561	D	98.9	Very high	98	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	141.3	-173.7	-52.4	-86.2	0	0	0	110.2	G495 T550 H599 L602	G495-D561 WeakPolarHBondContact O-CA 3.25Å; T550-D561 WeakPolarHBondContact CB-OD2 3.18Å; T550-D561 HydrophobicContact CG2-CB 4.26Å; T550-D561 PolarHBondContact OG1-N 3.03Å; T550-D561 PolarHBondContact OG1-OD2 2.85Å; D561-H599 IonicContact OD1-CE1 3.55Å; D561-H599 IonicContact OD1-ND1 3.5Å; D561-H599 PolarHBondContact OD1-ND1 2.84Å; D561-H599 IonicContact OD2-CE1 3.17Å; D561-H599 IonicContact OD2-CG 3.65Å; D561-H599 IonicContact OD2-ND1 3.55Å; D561-H599 PolarHBondContact OD2-ND1 2.9Å; D561-L602 HydrophobicContact CB-CD1 3.95Å; D561-L602 HydrophobicContact CB-CG 4.31Å; D561-L602 VanDerWaalsContact O-CD1 3.3Å; D561-L602 WeakPolarHBondContact O-CD1 3.28Å
562	Y	98.9	Very high	98	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	154.4	176.6	-54	-81.6	0	0	0	111.7	C494 G495 F497 S499 P501 Y506 C559 F564	C494-Y562 WeakPolarHBondContact CA-O 3.5Å; G495-Y562 PolarHBondContact N-O 3.12Å; G495-Y562 PolarHBondContact O-N 3.39Å; F497-Y562 HydrophobicContact CB-CD2 4.18Å; F497-Y562 HydrophobicContact CB-CE2 4.38Å; F497-Y562 AromaticContact CD2-CD2 3.53Å; F497-Y562 HydrophobicContact CD2-CD2 3.53Å; F497-Y562 HydrophobicContact CD2-CE2 4.49Å; F497-Y562 HydrophobicContact CD2-CG 4.29Å; F497-Y562 HydrophobicContact CE2-CD2 4.2Å; F497-Y562 HydrophobicContact CG-CD2 4.1Å; S499-Y562 VanDerWaalsContact O-CE2 3.25Å; S499-Y562 WeakPolarHBondContact O-CE2 3.46Å; S499-Y562 PolarHBondContact O-OH 2.95Å; P501-Y562 VanDerWaalsContact CD-OH 3.24Å; P501-Y562 WeakPolarHBondContact CD-OH 3.46Å; P501-Y562 WeakPolarHBondContact CG-OH 3.34Å; Y506-Y562 HydrophobicContact CD2-CD1 4.4Å; Y506-Y562 AromaticContact CD2-CE1 3.85Å; Y506-Y562 HydrophobicContact CD2-CE1 3.85Å; Y506-Y562 HydrophobicContact CD2-CE2 4.09Å; Y506-Y562 AromaticContact CD2-CZ 3.7Å; Y506-Y562 AromaticContact CE2-CD1 3.81Å; Y506-Y562 HydrophobicContact CE2-CD1 3.81Å; Y506-Y562 AromaticContact CE2-CE1 3.41Å; Y506-Y562 HydrophobicContact CE2-CE1 3.41Å; Y506-Y562 VanDerWaalsContact CE2-CE1 3.41Å; Y506-Y562 HydrophobicContact CE2-CE2 4.43Å; Y506-Y562 HydrophobicContact CE2-CG 4.46Å; Y506-Y562 AromaticContact CE2-CZ 3.79Å; C559-Y562 PolarHBondContact O-OH 3.1Å; C559-Y562 WeakPolarHBondContact SG-CE1 3.13Å; Y562-F564 HydrophobicContact CD1-CE1 4.3Å; Y562-F564 HydrophobicContact CD1-CZ 4.09Å; Y562-F564 AromaticContact CD2-CE2 3.89Å; Y562-F564 HydrophobicContact CD2-CE2 3.89Å; Y562-F564 AromaticContact CD2-CZ 3.63Å; Y562-F564 HydrophobicContact CD2-CZ 3.63Å; Y562-F564 HydrophobicContact CE2-CZ 4.42Å; Y562-F564 HydrophobicContact CG-CE1 4.02Å; Y562-F564 AromaticContact CG-CE2 3.88Å; Y562-F564 HydrophobicContact CG-CE2 3.88Å; Y562-F564 AromaticContact CG-CZ 3.46Å; Y562-F564 HydrophobicContact CG-CZ 3.46Å; Y562-F564 VanDerWaalsContact CG-CZ 3.46Å
563	I	98.9	Very high	98	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	92.2	162.7	-60.1	173.9	0	0	0	105.7	T297 I492 A543 I565 L602	T297-I563 HydrophobicContact CG2-CD1 4.19Å; T297-I563 HydrophobicContact CG2-CG2 3.93Å; I492-I563 HydrophobicContact CG2-CG2 4.07Å; A543-I563 HydrophobicContact CB-CB 4.24Å; A543-I563 HydrophobicContact CB-CG2 4.18Å; A543-I563 VanDerWaalsContact CB-O 3.32Å; A543-I563 WeakPolarHBondContact CB-O 3.48Å; A543-I563 PolarHBondContact N-O 3.16Å; I563-I565 HydrophobicContact CG2-CG2 4.18Å; I563-L602 HydrophobicContact CD1-CB 3.82Å; I563-L602 HydrophobicContact CG1-CB 4.16Å; I563-L602 HydrophobicContact CG1-CD1 4.39Å
564	F	98.9	Very high	98	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	132.7	176.3	-65.3	-61.8	0	0	0	110.3	I492 F493 F497 Y506 V509 I510 L540 K541 Y562	I492-F564 CarbonylContact C-O 3.32Å; I492-F564 WeakPolarHBondContact CA-O 3.36Å; F493-F564 HydrophobicContact CB-CB 4.29Å; F493-F564 PolarHBondContact N-O 3.16Å; F493-F564 PolarHBondContact O-N 3.02Å; F497-F564 HydrophobicContact CD1-CE2 4.32Å; F497-F564 HydrophobicContact CD2-CE2 4.1Å; F497-F564 HydrophobicContact CE1-CD2 4.18Å; F497-F564 HydrophobicContact CE1-CE2 4.01Å; F497-F564 AromaticContact CE2-CD2 3.94Å; F497-F564 HydrophobicContact CE2-CD2 3.94Å; F497-F564 AromaticContact CE2-CE2 3.75Å; F497-F564 HydrophobicContact CE2-CE2 3.75Å; F497-F564 HydrophobicContact CG-CE2 4.33Å; F497-F564 AromaticContact CZ-CD2 3.62Å; F497-F564 HydrophobicContact CZ-CD2 3.62Å; F497-F564 AromaticContact CZ-CE2 3.69Å; F497-F564 HydrophobicContact CZ-CE2 3.69Å; Y506-F564 HydrophobicContact CD2-CE1 4.22Å; Y506-F564 AromaticContact CD2-CZ 3.93Å; Y506-F564 HydrophobicContact CD2-CZ 3.93Å; Y506-F564 AromaticContact CE2-CE1 3.79Å; Y506-F564 HydrophobicContact CE2-CE1 3.79Å; Y506-F564 AromaticContact CE2-CZ 3.92Å; Y506-F564 HydrophobicContact CE2-CZ 3.92Å; V509-F564 HydrophobicContact CB-CZ 4.45Å; V509-F564 HydrophobicContact CG1-CD1 3.75Å; V509-F564 HydrophobicContact CG1-CD2 4.02Å; V509-F564 HydrophobicContact CG1-CE1 3.68Å; V509-F564 HydrophobicContact CG1-CE2 3.93Å; V509-F564 HydrophobicContact CG1-CG 3.94Å; V509-F564 HydrophobicContact CG1-CZ 3.77Å; I510-F564 HydrophobicContact CD1-CD1 4.28Å; I510-F564 HydrophobicContact CD1-CE1 3.93Å; L540-F564 HydrophobicContact CB-CB 4.39Å; L540-F564 HydrophobicContact CD1-CB 4.42Å; K541-F564 WeakPolarHBondContact O-CA 3.49Å; Y562-F564 HydrophobicContact CD1-CE1 4.3Å; Y562-F564 HydrophobicContact CD1-CZ 4.09Å; Y562-F564 AromaticContact CD2-CE2 3.89Å; Y562-F564 HydrophobicContact CD2-CE2 3.89Å; Y562-F564 AromaticContact CD2-CZ 3.63Å; Y562-F564 HydrophobicContact CD2-CZ 3.63Å; Y562-F564 HydrophobicContact CE2-CZ 4.42Å; Y562-F564 HydrophobicContact CG-CE1 4.02Å; Y562-F564 AromaticContact CG-CE2 3.88Å; Y562-F564 HydrophobicContact CG-CE2 3.88Å; Y562-F564 AromaticContact CG-CZ 3.46Å; Y562-F564 HydrophobicContact CG-CZ 3.46Å; Y562-F564 VanDerWaalsContact CG-CZ 3.46Å
565	I	98.9	Very high	98.3	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	145.4	-179.7	64.3	171.6	0	0	0	111.1	I492 L540 K541 A543 I563 L567 L570 V572 L606	I492-I565 HydrophobicContact CG1-CG2 4.4Å; L540-I565 WeakPolarHBondContact CA-O 3.4Å; K541-I565 PolarHBondContact N-O 3.02Å; K541-I565 PolarHBondContact O-N 3.21Å; A543-I565 HydrophobicContact CB-CD1 4.22Å; A543-I565 HydrophobicContact CB-CG1 4.41Å; A543-I565 HydrophobicContact CB-CG2 3.99Å; I563-I565 HydrophobicContact CG2-CG2 4.18Å; I565-L567 PolarHBondContact O-N 3.37Å; I565-L570 HydrophobicContact CB-CB 4.35Å; I565-L570 HydrophobicContact CB-CD1 4.32Å; I565-L570 HydrophobicContact CD1-CB 4.32Å; I565-V572 HydrophobicContact CD1-CG2 3.73Å; I565-L606 HydrophobicContact CD1-CD2 4.02Å; I565-L606 HydrophobicContact CG2-CD1 3.61Å; I565-L606 HydrophobicContact CG2-CD2 4Å; I565-L606 HydrophobicContact CG2-CG 4.47Å
566	D	98.5	Very high	98.5	Very high	19 Å²	19	38.1 Å²	38.1	10%	0.102	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	106.8	168.6	-179.2	8.2	0	0	0	111.1	V491 N568 A569 L570	V491-D566 PolarHBondContact O-N 3.31Å; D566-N568 PolarHBondContact O-N 3.42Å; D566-N568 VanDerWaalsContact O-N 3.15Å; D566-N568 WeakPolarHBondContact OD1-CB 3.41Å; D566-N568 PolarHBondContact OD1-N 3Å; D566-N568 VanDerWaalsContact OD1-N 3.09Å; D566-N568 PolarHBondContact OD1-ND2 2.93Å; D566-A569 PolarHBondContact O-N 3.21Å; D566-L570 PolarHBondContact O-N 3.08Å
567	L	97.4	Very high	98.6	Very high	66 Å²	66	35.9 Å²	35.9	35%	0.346	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-19	-177.9	-74.9	176.8	0	0	0	114.5	K539 K541 I565 A569 K609	K539-L567 HydrophobicContact CB-CB 4.5Å; K539-L567 WeakPolarHBondContact O-CB 3.43Å; K539-L567 PolarHBondContact O-N 3.06Å; K541-L567 HydrophobicContact CB-CD1 3.8Å; K541-L567 HydrophobicContact CB-CD2 3.56Å; K541-L567 HydrophobicContact CB-CG 3.67Å; K541-L567 HydrophobicContact CD-CD2 3.74Å; K541-L567 HydrophobicContact CG-CD2 4.26Å; I565-L567 PolarHBondContact O-N 3.37Å; L567-A569 VanDerWaalsContact C-N 3.26Å; L567-A569 PolarHBondContact O-N 2.93Å; L567-K609 WeakPolarHBondContact O-CD 2.77Å; L567-K609 PolarHBondContact O-NZ 3.08Å
568	N	97.4	Very high	98.6	Very high	110 Å²	110	32.5 Å²	32.5	59%	0.588	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-27.3	179.5	-61.7	-49.9	0	0	0	111.7	D566	D566-N568 PolarHBondContact O-N 3.42Å; D566-N568 VanDerWaalsContact O-N 3.15Å; D566-N568 WeakPolarHBondContact OD1-CB 3.41Å; D566-N568 PolarHBondContact OD1-N 3Å; D566-N568 VanDerWaalsContact OD1-N 3.09Å; D566-N568 PolarHBondContact OD1-ND2 2.93Å
569	A	97.8	Very high	98.6	Very high	26 Å²	26	32.7 Å²	32.7	22%	0.215	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.5	-15.7	-169	0	0	0	0	0	114.2	P490 D566 L567 K609	P490-A569 HydrophobicContact CB-CB 3.68Å; P490-A569 HydrophobicContact CG-CB 4.17Å; D566-A569 PolarHBondContact O-N 3.21Å; L567-A569 VanDerWaalsContact C-N 3.26Å; L567-A569 PolarHBondContact O-N 2.93Å; A569-K609 PolarHBondContact O-N 2.86Å
570	L	98.7	Very high	98.6	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	144.2	180	-62.2	169.4	0	0	0	111.3	I450 P490 I492 I565 D566 K607 W608	I450-L570 HydrophobicContact CD1-CD1 4.07Å; I450-L570 HydrophobicContact CD1-CD2 4.45Å; P490-L570 HydrophobicContact CB-CD1 4.3Å; P490-L570 HydrophobicContact CB-CG 4.32Å; I492-L570 HydrophobicContact CD1-CD1 4.24Å; I492-L570 HydrophobicContact CG1-CD1 3.67Å; I565-L570 HydrophobicContact CB-CB 4.35Å; I565-L570 HydrophobicContact CB-CD1 4.32Å; I565-L570 HydrophobicContact CD1-CB 4.32Å; D566-L570 PolarHBondContact O-N 3.08Å; L570-K607 WeakPolarHBondContact CA-O 3.32Å; L570-W608 HydrophobicContact CD2-CD2 4.25Å; L570-W608 HydrophobicContact CD2-CE3 4.19Å
571	E	98.6	Very high	98.6	Very high	81 Å²	81	39.5 Å²	39.5	38%	0.379	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	160.6	170.3	65.2	-175.4	-163.8	0	0	111.2	L606 K607 K609	E571-L606 CarbonylContact O-C 3.59Å; E571-L606 VanDerWaalsContact O-CA 3.3Å; E571-L606 WeakPolarHBondContact O-CA 3.18Å; E571-K607 HydrophobicContact CG-CB 3.98Å; E571-K607 PolarHBondContact N-O 3.48Å; E571-K607 PolarHBondContact O-N 3.17Å; E571-K609 HydrophobicContact CB-CD 4.21Å; E571-K609 HydrophobicContact CB-CG 4.01Å; E571-K609 HydrophobicContact CG-CG 3.99Å
572	V	98.9	Very high	98.6	Very high	43 Å²	43	46.7 Å²	46.7	26%	0.261	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	118.2	-179.7	-177.2	0	0	0	0	108.7	A543 I565 V575 L606	A543-V572 HydrophobicContact CB-CG2 3.79Å; I565-V572 HydrophobicContact CD1-CG2 3.73Å; V572-V575 HydrophobicContact CG1-CG2 3.83Å; V572-L606 HydrophobicContact CG2-CD2 4.01Å
573	E	98.8	Very high	98.6	Very high	105 Å²	105	49.8 Å²	49.8	49%	0.491	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-48.1	174.1	-179.6	68.1	-154.6	0	0	110.3	L294 D605	L294-E573 HydrophobicContact CD1-CG 4.49Å; L294-E573 HydrophobicContact CD2-CB 4.07Å; L294-E573 HydrophobicContact CD2-CG 4.12Å; E573-D605 HydrophobicContact CB-CB 4.26Å; E573-D605 WeakPolarHBondContact CB-O 3.34Å; E573-D605 PolarHBondContact N-O 2.92Å
574	Q	98.8	Very high	98.5	Very high	66 Å²	66	49.8 Å²	49.8	31%	0.308	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	154.8	173.8	57.1	170.2	-17.9	0	0	112.1	I576 C604 D605	Q574-I576 HydrophobicContact CG-CD1 4.35Å; Q574-C604 CarbonylContact O-C 3.53Å; Q574-C604 WeakPolarHBondContact O-CA 3.09Å; Q574-C604 WeakPolarHBondContact O-CB 3.43Å; Q574-D605 HydrophobicContact CG-CB 3.73Å; Q574-D605 PolarHBondContact N-O 3.02Å; Q574-D605 PolarHBondContact NE2-OD2 3.29Å; Q574-D605 PolarHBondContact O-N 2.99Å
575	V	98.9	Very high	98.5	Very high	58 Å²	58	52 Å²	52	35%	0.352	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.5	167.3	-178.1	0	0	0	0	107.3	A543 C544 V572 C604	A543-V575 WeakPolarHBondContact O-CG2 3.29Å; C544-V575 HydrophobicContact CB-CG1 4.1Å; V572-V575 HydrophobicContact CG1-CG2 3.83Å; V575-C604 HydrophobicContact CG2-CB 4.48Å
576	I	98.9	Very high	98.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-77.5	121.8	176.7	-68.1	59.1	0	0	0	106.2	R282 T286 Q574 L578 V603	R282-I576 HydrophobicContact CB-CG2 3.86Å; R282-I576 HydrophobicContact CG-CG2 4.48Å; R282-I576 PolarHBondContact NH2-O 3.35Å; T286-I576 HydrophobicContact CG2-CD1 4.4Å; T286-I576 HydrophobicContact CG2-CG1 3.68Å; Q574-I576 HydrophobicContact CG-CD1 4.35Å; I576-L578 PolarHBondContact O-N 3.34Å; I576-V603 HydrophobicContact CB-CB 3.96Å; I576-V603 HydrophobicContact CB-CG1 4.23Å; I576-V603 HydrophobicContact CD1-CB 4.37Å; I576-V603 HydrophobicContact CD1-CG1 3.87Å; I576-V603 HydrophobicContact CG1-CB 4.2Å; I576-V603 HydrophobicContact CG1-CG1 3.89Å; I576-V603 PolarHBondContact N-O 3.34Å
577	P	98.7	Very high	98.5	Very high	47 Å²	47	58.4 Å²	58.4	31%	0.305	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-57.7	140.6	-171.3	23.7	-33.9	0	0	0	111	R282 Y285	R282-P577 PolarHBondContact NE-O 3.34Å; Y285-P577 HydrophobicContact CD2-CG 4.22Å; Y285-P577 HydrophobicContact CE1-CG 4.34Å; Y285-P577 HydrophobicContact CE2-CG 3.69Å
578	L	98.8	Very high	98.5	Very high	41 Å²	41	61.4 Å²	61.4	22%	0.215	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-66.4	158.2	168	-83.4	70.6	0	0	0	109.3	P547 Y549 T550 I576 I600 L602	P547-L578 HydrophobicContact CB-CD2 3.86Å; P547-L578 HydrophobicContact CG-CD1 4.36Å; P547-L578 HydrophobicContact CG-CD2 4.11Å; Y549-L578 WeakPolarHBondContact O-CD2 3.44Å; T550-L578 HydrophobicContact CG2-CD2 4.5Å; I576-L578 PolarHBondContact O-N 3.34Å; L578-I600 HydrophobicContact CB-CG2 4.38Å; L578-I600 HydrophobicContact CD2-CB 4.4Å; L578-I600 HydrophobicContact CD2-CD1 4.35Å; L578-I600 HydrophobicContact CD2-CG2 4.03Å; L578-I600 HydrophobicContact CG-CG2 3.84Å; L578-L602 HydrophobicContact CD1-CD2 4.04Å; L578-L602 HydrophobicContact CD2-CD2 4.47Å
579	P	98.8	Very high	98.6	Very high	10 Å²	10	56.2 Å²	56.2	7%	0.065	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-53.9	145.5	171	-22.3	34.4	0	0	0	111.2	T278 E583 V584 I600	T278-P579 HydrophobicContact CG2-CB 4.41Å; T278-P579 HydrophobicContact CG2-CG 4.47Å; P579-E583 HydrophobicContact CB-CB 4.13Å; P579-V584 HydrophobicContact CB-CG2 4.02Å; P579-I600 VanDerWaalsContact CD-CG2 3.48Å; P579-I600 HydrophobicContact CG-CG2 4.2Å
580	S	98.6	Very high	98.6	Very high	53 Å²	53	55 Å²	55	37%	0.371	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-61.8	157.9	174.1	65	0	0	0	0	111.2	E582 E583 V584	S580-E582 PolarHBondContact O-N 2.98Å; S580-E583 WeakPolarHBondContact CB-OE2 3.46Å; S580-E583 PolarHBondContact N-OE2 3.38Å; S580-E583 PolarHBondContact O-N 2.97Å; S580-E583 VanDerWaalsContact O-N 3.14Å; S580-E583 VanDerWaalsContact OG-CG 3.3Å; S580-E583 WeakPolarHBondContact OG-CG 3.11Å; S580-E583 PolarHBondContact OG-N 3.38Å; S580-E583 PolarHBondContact OG-OE2 3.38Å; S580-V584 WeakPolarHBondContact O-CG2 3.35Å; S580-V584 PolarHBondContact O-N 2.94Å
581	H	98.6	Very high	98.6	Very high	101 Å²	101	55 Å²	55	47%	0.468	29%	0.285	S	S	.	.	H	α-helix	trans	-60.4	-32.6	176.4	-170.9	61.9	0	0	0	112.5	Y549 Y552 V584 T585	Y549-H581 AromaticContact CE1-ND1 3.74Å; Y549-H581 AromaticContact CZ-ND1 3.64Å; Y549-H581 WeakPolarHBondContact OH-CA 3.38Å; Y549-H581 PolarHBondContact OH-ND1 3.35Å; Y552-H581 AromaticContact CE2-CE1 3.85Å; Y552-H581 AromaticContact CZ-CE1 3.87Å; Y552-H581 PolarHBondContact OH-CE1 3.38Å; H581-V584 PolarHBondContact O-N 2.91Å; H581-T585 VanDerWaalsContact CE1-CG2 3.42Å; H581-T585 WeakPolarHBondContact CE1-CG2 3.26Å; H581-T585 WeakPolarHBondContact O-CB 3.46Å; H581-T585 WeakPolarHBondContact O-CG2 3.39Å; H581-T585 PolarHBondContact O-N 3.08Å; H581-T585 PolarHBondContact O-OG1 2.92Å
582	E	98.5	Very high	98.6	Very high	153 Å²	153	51.3 Å²	51.3	72%	0.715	27%	0.268	S	S	*	.	H	α-helix	trans	-63.8	-45	174.7	-173.9	176.8	-178.9	0	0	111.4	S580 V584 T585 T586	S580-E582 PolarHBondContact O-N 2.98Å; E582-V584 VanDerWaalsContact C-N 3.35Å; E582-V584 PolarHBondContact O-N 3.4Å; E582-T585 PolarHBondContact O-N 3.47Å; E582-T586 PolarHBondContact O-N 2.97Å; E582-T586 PolarHBondContact O-OG1 3.34Å
583	E	98.4	Very high	98.6	Very high	64 Å²	64	50.3 Å²	50.3	30%	0.299	26%	0.262	S	S	.	.	H	α-helix	trans	-62.1	-41.6	175.4	-73.6	166.5	113.6	0	0	111.9	T278 P579 S580	T278-E583 HydrophobicContact CG2-CB 4.41Å; P579-E583 HydrophobicContact CB-CB 4.13Å; S580-E583 WeakPolarHBondContact CB-OE2 3.46Å; S580-E583 PolarHBondContact N-OE2 3.38Å; S580-E583 PolarHBondContact O-N 2.97Å; S580-E583 VanDerWaalsContact O-N 3.14Å; S580-E583 VanDerWaalsContact OG-CG 3.3Å; S580-E583 WeakPolarHBondContact OG-CG 3.11Å; S580-E583 PolarHBondContact OG-N 3.38Å; S580-E583 PolarHBondContact OG-OE2 3.38Å
584	V	98.6	Very high	98.6	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-67.1	-37.2	179.8	172.1	0	0	0	0	112	Y549 Y552 P579 S580 H581 E582 L590 I600	Y549-V584 HydrophobicContact CE2-CB 4.48Å; Y549-V584 HydrophobicContact CE2-CG1 4.05Å; Y549-V584 HydrophobicContact CE2-CG2 4.11Å; Y552-V584 HydrophobicContact CD1-CG1 3.54Å; Y552-V584 HydrophobicContact CD2-CG1 4.16Å; Y552-V584 HydrophobicContact CE1-CG1 4.08Å; Y552-V584 HydrophobicContact CG-CG1 3.6Å; P579-V584 HydrophobicContact CB-CG2 4.02Å; S580-V584 WeakPolarHBondContact O-CG2 3.35Å; S580-V584 PolarHBondContact O-N 2.94Å; H581-V584 PolarHBondContact O-N 2.91Å; E582-V584 VanDerWaalsContact C-N 3.35Å; E582-V584 PolarHBondContact O-N 3.4Å; V584-L590 HydrophobicContact CG1-CD1 4.1Å; V584-L590 HydrophobicContact CG1-CD2 4.1Å; V584-L590 HydrophobicContact CG1-CG 3.96Å; V584-I600 HydrophobicContact CG2-CD1 4.04Å
585	T	98.5	Very high	98.6	Very high	45 Å²	45	42.8 Å²	42.8	28%	0.276	23%	0.228	S	C	.	.	H	α-helix	trans	-97.1	1.6	-175.6	57.5	0	0	0	0	114.1	Y552 H581 E582 H587 Q588	Y552-T585 HydrophobicContact CE1-CG2 3.94Å; H581-T585 VanDerWaalsContact CE1-CG2 3.42Å; H581-T585 WeakPolarHBondContact CE1-CG2 3.26Å; H581-T585 WeakPolarHBondContact O-CB 3.46Å; H581-T585 WeakPolarHBondContact O-CG2 3.39Å; H581-T585 PolarHBondContact O-N 3.08Å; H581-T585 PolarHBondContact O-OG1 2.92Å; E582-T585 PolarHBondContact O-N 3.47Å; T585-H587 PolarHBondContact O-N 2.73Å; T585-H587 VanDerWaalsContact O-N 3.1Å; T585-Q588 WeakPolarHBondContact O-CA 3.33Å; T585-Q588 PolarHBondContact O-N 3.25Å
586	T	98.4	Very high	98.6	Very high	89 Å²	89	40 Å²	40	55%	0.546	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-34.9	177.1	-68.4	0	0	0	0	111.7	E582	E582-T586 PolarHBondContact O-N 2.97Å; E582-T586 PolarHBondContact O-OG1 3.34Å
587	H	97.8	Very high	98.6	Very high	67 Å²	67	40 Å²	40	31%	0.31	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	36	174.9	-58.7	-69.1	0	0	0	112.2	T585 A589 V593	T585-H587 PolarHBondContact O-N 2.73Å; T585-H587 VanDerWaalsContact O-N 3.1Å; H587-A589 PolarHBondContact O-N 3.01Å; H587-V593 VanDerWaalsContact CE1-CG2 3.5Å; H587-V593 WeakPolarHBondContact CE1-CG2 3.26Å; H587-V593 VanDerWaalsContact NE2-CG2 3.25Å; H587-V593 WeakPolarHBondContact NE2-CG2 3.4Å
588	Q	98.1	Very high	98.6	Very high	129 Å²	129	38.4 Å²	38.4	60%	0.603	20%	0.2	S	C	*	.	S	Bend	trans	72	-54.6	-174.8	-171.6	-178.2	-23.6	0	0	114.6	Y320 T585	Y320-Q588 HydrophobicContact CG-CB 4.32Å; T585-Q588 WeakPolarHBondContact O-CA 3.33Å; T585-Q588 PolarHBondContact O-N 3.25Å
589	A	98.6	Very high	98.6	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.008	19%	0.191	C	C	.	.	S	Bend	trans	-157.8	-167.9	179	0	0	0	0	0	111.2	Y320 Y552 H587	Y320-A589 HydrophobicContact CD2-CB 4.11Å; Y320-A589 HydrophobicContact CE1-CB 4.14Å; Y320-A589 VanDerWaalsContact CE2-C 3.48Å; Y320-A589 HydrophobicContact CE2-CB 3.58Å; Y552-A589 HydrophobicContact CD1-CB 3.73Å; Y552-A589 HydrophobicContact CE1-CB 3.8Å; H587-A589 PolarHBondContact O-N 3.01Å
590	L	98.8	Very high	98.6	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.188	C	C	.	.	S	Bend	trans	-109.3	148.5	-178.5	-50.2	177.5	0	0	0	111.4	Y320 Y552 V584 H595 S597 I600	Y320-L590 PolarHBondContact OH-O 2.79Å; Y552-L590 VanDerWaalsContact O-CB 3.27Å; Y552-L590 WeakPolarHBondContact O-CB 3.46Å; Y552-L590 PolarHBondContact O-N 3.4Å; V584-L590 HydrophobicContact CG1-CD1 4.1Å; V584-L590 HydrophobicContact CG1-CD2 4.1Å; V584-L590 HydrophobicContact CG1-CG 3.96Å; L590-H595 HydrophobicContact CD2-CB 3.78Å; L590-S597 WeakPolarHBondContact CB-O 3.3Å; L590-I600 HydrophobicContact CD1-CD1 4.11Å; L590-I600 HydrophobicContact CD1-CG1 3.72Å
591	P	98.7	Very high	98.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.	S	Bend	cis	-71.9	170.9	-2.9	31.3	-34.9	0	0	0	112.2	L303 Y318 C321 L326 H595 S597	L303-P591 HydrophobicContact CD2-CG 4.09Å; Y318-P591 HydrophobicContact CD1-CG 4.48Å; Y318-P591 HydrophobicContact CG-CG 4.43Å; C321-P591 HydrophobicContact CB-CG 4.47Å; C321-P591 WeakPolarHBondContact CB-O 3.4Å; C321-P591 PolarHBondContact SG-O 2.89Å; C321-P591 VanDerWaalsContact SG-O 3.37Å; L326-P591 HydrophobicContact CD2-CG 3.43Å; L326-P591 VanDerWaalsContact CD2-CG 3.43Å; L326-P591 HydrophobicContact CG-CG 4.45Å; P591-H595 WeakPolarHBondContact CA-O 3.25Å; P591-H595 WeakPolarHBondContact CB-O 3.45Å; P591-S597 VanDerWaalsContact CA-O 3.3Å; P591-S597 WeakPolarHBondContact CA-O 3.08Å; P591-S597 WeakPolarHBondContact CB-O 3.42Å
592	S	98.7	Very high	98.6	Very high	3 Å²	3	29 Å²	29	2%	0.021	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-150.7	178.4	177.1	72	0	0	0	0	111.7	S594 H595	S592-S594 PolarHBondContact O-N 2.95Å; S592-S594 PolarHBondContact OG-N 3.03Å; S592-S594 VanDerWaalsContact OG-N 3.17Å; S592-H595 PolarHBondContact N-O 3.07Å; S592-H595 CarbonylContact O-C 3.56Å; S592-H595 PolarHBondContact O-N 2.68Å; S592-H595 VanDerWaalsContact O-N 3.15Å; S592-H595 PolarHBondContact OG-N 2.75Å
593	V	98.6	Very high	98.6	Very high	22 Å²	22	21.7 Å²	21.7	13%	0.133	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-18.5	171.3	-55.4	0	0	0	0	112.7	P274 A322 Y324 A325 Y330 H587	P274-V593 VanDerWaalsContact CB-O 3.32Å; P274-V593 WeakPolarHBondContact CB-O 3.27Å; A322-V593 HydrophobicContact CB-CG1 3.64Å; Y324-V593 HydrophobicContact CE1-CG1 4.33Å; Y324-V593 HydrophobicContact CE2-CG1 4.16Å; Y324-V593 WeakPolarHBondContact OH-CG1 3.48Å; A325-V593 HydrophobicContact CB-CB 4.43Å; A325-V593 HydrophobicContact CB-CG1 3.94Å; Y330-V593 PolarHBondContact OH-O 3.15Å; H587-V593 VanDerWaalsContact CE1-CG2 3.5Å; H587-V593 WeakPolarHBondContact CE1-CG2 3.26Å; H587-V593 VanDerWaalsContact NE2-CG2 3.25Å; H587-V593 WeakPolarHBondContact NE2-CG2 3.4Å
594	S	98.6	Very high	98.7	Very high	13 Å²	13	18.6 Å²	18.6	9%	0.091	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-1.8	-178.3	-67.2	0	0	0	0	113.3	T276 C277 T278 S592	T276-S594 WeakPolarHBondContact O-CB 3.46Å; T276-S594 PolarHBondContact O-OG 3.28Å; C277-S594 WeakPolarHBondContact CA-O 3.3Å; T278-S594 PolarHBondContact N-O 2.65Å; T278-S594 VanDerWaalsContact N-O 3.08Å; S592-S594 PolarHBondContact O-N 2.95Å; S592-S594 PolarHBondContact OG-N 3.03Å; S592-S594 VanDerWaalsContact OG-N 3.17Å
595	H	98.9	Very high	98.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-151.1	121.9	-175	-159.9	71.5	0	0	0	112.7	T278 L590 P591 S592 S597 H599	T278-H595 HydrophobicContact CG2-CB 4.07Å; T278-H595 PolarHBondContact OG1-CE1 3.23Å; T278-H595 PolarHBondContact OG1-ND1 3.32Å; L590-H595 HydrophobicContact CD2-CB 3.78Å; P591-H595 WeakPolarHBondContact CA-O 3.25Å; P591-H595 WeakPolarHBondContact CB-O 3.45Å; S592-H595 PolarHBondContact N-O 3.07Å; S592-H595 CarbonylContact O-C 3.56Å; S592-H595 PolarHBondContact O-N 2.68Å; S592-H595 VanDerWaalsContact O-N 3.15Å; S592-H595 PolarHBondContact OG-N 2.75Å; H595-S597 PolarHBondContact CD2-O 2.97Å; H595-H599 PolarHBondContact NE2-O 3.42Å
596	P	98.8	Very high	98.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	-92.3	2.3	-163.1	37.2	-38.5	0	0	0	116.2	R331 L334 I335	R331-P596 HydrophobicContact CB-CB 4.09Å; R331-P596 VanDerWaalsContact CD-O 3.32Å; R331-P596 WeakPolarHBondContact CD-O 3.44Å; R331-P596 HydrophobicContact CG-CB 4.45Å; R331-P596 PolarHBondContact NH1-O 3.24Å; L334-P596 HydrophobicContact CB-CB 3.65Å; L334-P596 HydrophobicContact CB-CG 3.87Å; L334-P596 HydrophobicContact CD2-CB 4.2Å; I335-P596 HydrophobicContact CD1-CB 4.21Å; I335-P596 HydrophobicContact CG1-CB 3.75Å; I335-P596 HydrophobicContact CG1-CG 3.63Å
597	S	98.9	Very high	98.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	-134.6	165.6	178.8	-176.5	0	0	0	0	109.4	Y300 N301 L590 P591 H595 H599	Y300-S597 WeakPolarHBondContact OH-CB 3.5Å; N301-S597 PolarHBondContact O-OG 3.21Å; L590-S597 WeakPolarHBondContact CB-O 3.3Å; P591-S597 VanDerWaalsContact CA-O 3.3Å; P591-S597 WeakPolarHBondContact CA-O 3.08Å; P591-S597 WeakPolarHBondContact CB-O 3.42Å; H595-S597 PolarHBondContact CD2-O 2.97Å; S597-H599 VanDerWaalsContact C-N 3.3Å; S597-H599 WeakPolarHBondContact CB-O 3.26Å; S597-H599 PolarHBondContact OG-N 3.06Å; S597-H599 VanDerWaalsContact OG-N 3.12Å
598	D	98.8	Very high	98.7	Very high	14 Å²	14	14.2 Å²	14.2	8%	0.075	7%	0.068	C	C	.	.	S	Bend	trans	-81.9	-13	164.5	60.9	-40.3	0	0	0	112.7	Y318 N551 Y552 V553	Y318-D598 HydrophobicContact CE1-CB 4.24Å; N551-D598 WeakPolarHBondContact CA-O 3.35Å; N551-D598 PolarHBondContact ND2-O 3.21Å; N551-D598 PolarHBondContact ND2-OD2 3.06Å; Y552-D598 PolarHBondContact N-O 3.22Å; V553-D598 HydrophobicContact CG1-CB 3.58Å
599	H	98.9	Very high	98.6	Very high	5 Å²	5	16.3 Å²	16.3	2%	0.023	8%	0.075	C	C	.	.	B	Isolated β-bridge	trans	-97.8	165.4	170.1	-70.5	-115.3	0	0	0	112.4	Y300 N301 D496 T550 N551 D561 H595 S597	Y300-H599 HydrophobicContact CD2-CB 4.47Å; Y300-H599 HydrophobicContact CE2-CB 4.37Å; Y300-H599 VanDerWaalsContact CE2-O 3.31Å; Y300-H599 WeakPolarHBondContact CE2-O 3.39Å; N301-H599 HydrophobicContact CB-CB 4.03Å; D496-H599 IonicContact OD2-CE1 2.73Å; D496-H599 PolarHBondContact OD2-CE1 3Å; D496-H599 IonicContact OD2-NE2 3.3Å; T550-H599 CarbonylContact O-C 3.56Å; T550-H599 WeakPolarHBondContact O-CA 3.21Å; N551-H599 PolarHBondContact ND2-CD2 3.41Å; N551-H599 PolarHBondContact ND2-NE2 2.92Å; D561-H599 IonicContact OD1-CE1 3.55Å; D561-H599 IonicContact OD1-ND1 3.5Å; D561-H599 PolarHBondContact OD1-ND1 2.84Å; D561-H599 IonicContact OD2-CE1 3.17Å; D561-H599 IonicContact OD2-CG 3.65Å; D561-H599 IonicContact OD2-ND1 3.55Å; D561-H599 PolarHBondContact OD2-ND1 2.9Å; H595-H599 PolarHBondContact NE2-O 3.42Å; S597-H599 VanDerWaalsContact C-N 3.3Å; S597-H599 WeakPolarHBondContact CB-O 3.26Å; S597-H599 PolarHBondContact OG-N 3.06Å; S597-H599 VanDerWaalsContact OG-N 3.12Å
600	I	98.9	Very high	98.6	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	8%	0.078	C	C	.	.			trans	-115.1	125.5	176	-58	171.7	0	0	0	108.6	Y549 T550 L578 P579 V584 L590 L602	Y549-I600 HydrophobicContact CD2-CD1 3.99Å; Y549-I600 HydrophobicContact CE2-CD1 3.87Å; T550-I600 PolarHBondContact O-N 3.26Å; L578-I600 HydrophobicContact CB-CG2 4.38Å; L578-I600 HydrophobicContact CD2-CB 4.4Å; L578-I600 HydrophobicContact CD2-CD1 4.35Å; L578-I600 HydrophobicContact CD2-CG2 4.03Å; L578-I600 HydrophobicContact CG-CG2 3.84Å; P579-I600 VanDerWaalsContact CD-CG2 3.48Å; P579-I600 HydrophobicContact CG-CG2 4.2Å; V584-I600 HydrophobicContact CG2-CD1 4.04Å; L590-I600 HydrophobicContact CD1-CD1 4.11Å; L590-I600 HydrophobicContact CD1-CG1 3.72Å; I600-L602 PolarHBondContact O-N 3.05Å
601	A	98.9	Very high	98.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.082	C	C	.	.			trans	-56.5	126.5	177.8	0	0	0	0	0	111.9	R282 V298 Y300 Y342 V603	R282-A601 PolarHBondContact NH1-O 2.77Å; R282-A601 PolarHBondContact NH2-O 2.97Å; V298-A601 HydrophobicContact CG1-CB 4.43Å; Y300-A601 HydrophobicContact CD1-CB 3.61Å; Y300-A601 HydrophobicContact CD2-CB 3.83Å; Y300-A601 HydrophobicContact CE1-CB 3.93Å; Y300-A601 HydrophobicContact CE2-CB 4.16Å; Y300-A601 HydrophobicContact CG-CB 3.53Å; Y342-A601 HydrophobicContact CE2-CB 3.99Å; A601-V603 HydrophobicContact CB-CG2 4.4Å
602	L	98.9	Very high	98.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	131.9	167	-65.7	-173.1	0	0	0	109.4	V298 S299 C544 P547 T550 D561 I563 L578 I600	V298-L602 CarbonylContact C-O 3.59Å; V298-L602 WeakPolarHBondContact CA-O 3.15Å; S299-L602 PolarHBondContact N-O 3.27Å; S299-L602 PolarHBondContact O-N 3.34Å; C544-L602 HydrophobicContact CB-CD1 4.29Å; C544-L602 HydrophobicContact CB-CD2 4.11Å; P547-L602 HydrophobicContact CG-CD2 4.47Å; T550-L602 HydrophobicContact CG2-CD2 3.86Å; T550-L602 HydrophobicContact CG2-CG 4.44Å; D561-L602 HydrophobicContact CB-CD1 3.95Å; D561-L602 HydrophobicContact CB-CG 4.31Å; D561-L602 VanDerWaalsContact O-CD1 3.3Å; D561-L602 WeakPolarHBondContact O-CD1 3.28Å; I563-L602 HydrophobicContact CD1-CB 3.82Å; I563-L602 HydrophobicContact CG1-CB 4.16Å; I563-L602 HydrophobicContact CG1-CD1 4.39Å; L578-L602 HydrophobicContact CD1-CD2 4.04Å; L578-L602 HydrophobicContact CD2-CD2 4.47Å; I600-L602 PolarHBondContact O-N 3.05Å
603	V	98.9	Very high	98.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	126.2	180	-171	0	0	0	0	109.3	T286 R296 T297 V298 Y342 I576 A601	T286-V603 HydrophobicContact CG2-CG1 4.49Å; R296-V603 HydrophobicContact CG-CG1 4.12Å; T297-V603 WeakPolarHBondContact O-CA 3.21Å; V298-V603 HydrophobicContact CG1-CG2 4.35Å; V298-V603 HydrophobicContact CG2-CG1 4.08Å; V298-V603 HydrophobicContact CG2-CG2 4.03Å; Y342-V603 HydrophobicContact CD1-CG1 4.48Å; Y342-V603 HydrophobicContact CD1-CG2 4.13Å; Y342-V603 HydrophobicContact CD2-CG2 3.94Å; Y342-V603 HydrophobicContact CE1-CG2 4.01Å; Y342-V603 HydrophobicContact CE2-CG2 3.81Å; Y342-V603 HydrophobicContact CG-CG2 4.13Å; I576-V603 HydrophobicContact CB-CB 3.96Å; I576-V603 HydrophobicContact CB-CG1 4.23Å; I576-V603 HydrophobicContact CD1-CB 4.37Å; I576-V603 HydrophobicContact CD1-CG1 3.87Å; I576-V603 HydrophobicContact CG1-CB 4.2Å; I576-V603 HydrophobicContact CG1-CG1 3.89Å; I576-V603 PolarHBondContact N-O 3.34Å; A601-V603 HydrophobicContact CB-CG2 4.4Å
604	C	98.9	Very high	98.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	153.1	175.9	61.7	0	0	0	0	111.2	R296 T297 Q574 V575	R296-C604 CarbonylContact C-O 3.41Å; R296-C604 WeakPolarHBondContact CA-O 3.5Å; T297-C604 PolarHBondContact N-O 3.21Å; T297-C604 PolarHBondContact O-N 3.27Å; T297-C604 VanDerWaalsContact O-N 3.08Å; Q574-C604 CarbonylContact O-C 3.53Å; Q574-C604 WeakPolarHBondContact O-CA 3.09Å; Q574-C604 WeakPolarHBondContact O-CB 3.43Å; V575-C604 HydrophobicContact CG2-CB 4.48Å
605	D	98.9	Very high	98.6	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.016	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	120	168.8	-66.2	-6.3	0	0	0	107.9	R296 E573 Q574	R296-D605 VanDerWaalsContact CB-OD1 3.28Å; R296-D605 WeakPolarHBondContact CB-OD1 3.41Å; R296-D605 VanDerWaalsContact CG-OD1 3.24Å; R296-D605 WeakPolarHBondContact CG-OD1 3.43Å; R296-D605 IonicContact CZ-OD1 3.19Å; R296-D605 IonicContact CZ-OD2 3.59Å; R296-D605 IonicContact NE-OD1 3.28Å; R296-D605 PolarHBondContact NE-OD1 2.86Å; R296-D605 IonicContact NE-OD2 3.86Å; R296-D605 IonicContact NH2-OD1 2.79Å; R296-D605 PolarHBondContact NH2-OD1 3.33Å; R296-D605 IonicContact NH2-OD2 3.64Å; R296-D605 PolarHBondContact NH2-OD2 3.16Å; E573-D605 HydrophobicContact CB-CB 4.26Å; E573-D605 WeakPolarHBondContact CB-O 3.34Å; E573-D605 PolarHBondContact N-O 2.92Å; Q574-D605 HydrophobicContact CG-CB 3.73Å; Q574-D605 PolarHBondContact N-O 3.02Å; Q574-D605 PolarHBondContact NE2-OD2 3.29Å; Q574-D605 PolarHBondContact O-N 2.99Å
606	L	98.9	Very high	98.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	154.5	176.7	-55.1	178.1	0	0	0	109.9	L294 I295 I492 A543 I565 E571 V572	L294-L606 CarbonylContact C-O 3.55Å; L294-L606 WeakPolarHBondContact CA-O 3.47Å; I295-L606 HydrophobicContact CB-CB 4.42Å; I295-L606 PolarHBondContact N-O 3.25Å; I295-L606 PolarHBondContact O-N 3.01Å; I492-L606 HydrophobicContact CD1-CD1 3.58Å; I492-L606 HydrophobicContact CG1-CD1 3.94Å; A543-L606 HydrophobicContact CB-CD2 3.98Å; I565-L606 HydrophobicContact CD1-CD2 4.02Å; I565-L606 HydrophobicContact CG2-CD1 3.61Å; I565-L606 HydrophobicContact CG2-CD2 4Å; I565-L606 HydrophobicContact CG2-CG 4.47Å; E571-L606 CarbonylContact O-C 3.59Å; E571-L606 VanDerWaalsContact O-CA 3.3Å; E571-L606 WeakPolarHBondContact O-CA 3.18Å; V572-L606 HydrophobicContact CG2-CD2 4.01Å
607	K	98.7	Very high	98.5	Very high	70 Å²	70	23.2 Å²	23.2	30%	0.304	10%	0.101	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	140.6	176.8	-170.4	176.8	178.9	-177.5	0	110.3	L294 L570 E571	L294-K607 HydrophobicContact CD2-CB 3.72Å; L294-K607 HydrophobicContact CD2-CD 4.15Å; L294-K607 HydrophobicContact CD2-CG 3.88Å; L570-K607 WeakPolarHBondContact CA-O 3.32Å; E571-K607 HydrophobicContact CG-CB 3.98Å; E571-K607 PolarHBondContact N-O 3.48Å; E571-K607 PolarHBondContact O-N 3.17Å
608	W	98.1	Very high	98.5	Very high	37 Å²	37	25.2 Å²	25.2	14%	0.14	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	131.8	169.9	-60.3	93.5	0	0	0	109.9	I295 K448 R449 I450 P490 L570	I295-W608 HydrophobicContact CD1-CZ2 3.64Å; K448-W608 HydrophobicContact CB-CH2 4.05Å; K448-W608 HydrophobicContact CB-CZ2 4.14Å; K448-W608 HydrophobicContact CB-CZ3 4.35Å; K448-W608 HydrophobicContact CD-CD2 3.73Å; K448-W608 HydrophobicContact CD-CE3 4.16Å; K448-W608 HydrophobicContact CD-CG 3.88Å; K448-W608 HydrophobicContact CD-CZ2 4.3Å; K448-W608 HydrophobicContact CG-CD2 4.46Å; K448-W608 HydrophobicContact CG-CE3 4.44Å; K448-W608 HydrophobicContact CG-CZ3 4.42Å; R449-W608 WeakPolarHBondContact O-CH2 3.45Å; I450-W608 HydrophobicContact CB-CH2 3.81Å; I450-W608 HydrophobicContact CB-CZ2 4.31Å; I450-W608 HydrophobicContact CD1-CH2 4.13Å; I450-W608 HydrophobicContact CD1-CZ2 4.27Å; I450-W608 HydrophobicContact CG1-CH2 4.4Å; P490-W608 HydrophobicContact CG-CE3 4.13Å; P490-W608 HydrophobicContact CG-CH2 3.96Å; P490-W608 HydrophobicContact CG-CZ3 3.29Å; L570-W608 HydrophobicContact CD2-CD2 4.25Å; L570-W608 HydrophobicContact CD2-CE3 4.19Å
609	K	95.1	Very high	98.5	Very high	172 Å²	172	26.2 Å²	26.2	75%	0.748	11%	0.112	S	C	*	.			trans	-80.2	0	177.9	-65.5	-179.8	82.5	-172	0	113.6	L567 A569 E571	L567-K609 WeakPolarHBondContact O-CD 2.77Å; L567-K609 PolarHBondContact O-NZ 3.08Å; A569-K609 PolarHBondContact O-N 2.86Å; E571-K609 HydrophobicContact CB-CD 4.21Å; E571-K609 HydrophobicContact CB-CG 4.01Å; E571-K609 HydrophobicContact CG-CG 3.99Å

Retrieved 609 of 609 residues in 4727.2 ms (Link to these results)

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