G4VA58_SCHMA Loading...

CULT domain-containing protein

AlphaFold DB , UniProt , Accession G4VA58, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 587 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	36.3	Very low	34.2	Very low	242 Å²	242	147.9 Å²	147.9	100%	1.192	81%	0.806	S	S	*	*				0	105.1	0	-76.4	-164.4	-75.8	0	0	105.8	E3	M1-E3 PolarHBondContact O-N 2.87Å
2	E	31.1	Very low	34.4	Very low	198 Å²	198	145.3 Å²	145.3	93%	0.925	80%	0.801	S	S	*	*			trans	-62.5	118.7	-168.4	-76.9	166	135.6	0	0	111.9	L4	E2-L4 PolarHBondContact O-N 2.87Å
3	E	32.3	Very low	35	Very low	175 Å²	175	139.8 Å²	139.8	82%	0.818	78%	0.777	S	S	*	*			trans	-71.7	110.3	166.4	-80.9	-178	140.8	0	0	109.3	M1 Q5	M1-E3 PolarHBondContact O-N 2.87Å; E3-Q5 VanDerWaalsContact C-N 3.34Å; E3-Q5 PolarHBondContact O-N 2.87Å
4	L	33.2	Very low	35.5	Very low	161 Å²	161	133.1 Å²	133.1	84%	0.843	74%	0.742	S	S	*	*			trans	-72.5	88.7	163.8	-87.3	158.3	0	0	0	109.2	E2 I6	E2-L4 PolarHBondContact O-N 2.87Å; L4-I6 PolarHBondContact O-N 2.87Å; L4-I6 VanDerWaalsContact O-N 3.09Å
5	Q	30.6	Very low	35.8	Very low	174 Å²	174	133 Å²	133	81%	0.813	75%	0.754	S	S	*	*			trans	-70.7	91.3	160.4	-93	170.8	0.5	0	0	109.2	E3 A7	E3-Q5 VanDerWaalsContact C-N 3.34Å; E3-Q5 PolarHBondContact O-N 2.87Å; Q5-A7 PolarHBondContact O-N 3.5Å
6	I	36.9	Very low	37	Very low	131 Å²	131	127 Å²	127	67%	0.672	73%	0.731	S	S	*	*			trans	-77.8	101.9	163.7	-60.9	175.2	0	0	0	106.8	L4 F8	L4-I6 PolarHBondContact O-N 2.87Å; L4-I6 VanDerWaalsContact O-N 3.09Å; I6-F8 PolarHBondContact O-N 3.33Å
7	A	30.1	Very low	38.5	Very low	88 Å²	88	128.6 Å²	128.6	73%	0.727	73%	0.731	S	S	*	*			trans	-64.2	103.5	173.8	0	0	0	0	0	110.1	Q5 V9	Q5-A7 PolarHBondContact O-N 3.5Å; A7-V9 PolarHBondContact O-N 2.88Å; A7-V9 VanDerWaalsContact O-N 3.1Å
8	F	35.2	Very low	40.6	Very low	157 Å²	157	128.4 Å²	128.4	69%	0.689	72%	0.722	S	S	*	*			trans	-68.6	98.1	165	-90.3	-92	0	0	0	109.1	I6 G10	I6-F8 PolarHBondContact O-N 3.33Å; F8-G10 PolarHBondContact O-N 3.2Å; F8-G10 VanDerWaalsContact O-N 3.15Å
9	V	35.2	Very low	43.2	Very low	134 Å²	134	122.6 Å²	122.6	81%	0.812	69%	0.689	S	S	*	*			trans	-84	75.3	160.7	-174	0	0	0	0	107	A7 S11	A7-V9 PolarHBondContact O-N 2.88Å; A7-V9 VanDerWaalsContact O-N 3.1Å; V9-S11 PolarHBondContact O-N 3.23Å
10	G	37	Very low	45.4	Very low	61 Å²	61	118.6 Å²	118.6	63%	0.629	67%	0.669	S	S	*	*			trans	-68.2	114.9	167.7	0	0	0	0	0	108.6	F8	F8-G10 PolarHBondContact O-N 3.2Å; F8-G10 VanDerWaalsContact O-N 3.15Å
11	S	38.3	Very low	47.5	Very low	106 Å²	106	114.1 Å²	114.1	74%	0.741	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-56.2	140.2	168.5	-43.8	0	0	0	0	109.1	V9	V9-S11 PolarHBondContact O-N 3.23Å
12	P	36.9	Very low	50	Low	116 Å²	116	107.4 Å²	107.4	75%	0.753	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-59.1	142.3	178.4	24.3	-32	0	0	0	110.1
13	P	42.3	Very low	52.8	Low	74 Å²	74	102.2 Å²	102.2	48%	0.481	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-56.5	137.4	179.3	18.4	-27.8	0	0	0	110.4	S15 Y485	P13-S15 PolarHBondContact O-N 3.47Å; P13-Y485 WeakPolarHBondContact CB-OH 3.45Å
14	P	41.2	Very low	55.7	Low	46 Å²	46	95 Å²	95	30%	0.299	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-60.2	136.6	176.8	24.3	-31.9	0	0	0	110.3	G16 Y485 Q513 P516	P14-G16 PolarHBondContact O-N 2.98Å; P14-Y485 WeakPolarHBondContact CD-OH 3.3Å; P14-Y485 HydrophobicContact CG-CE2 4.29Å; P14-Y485 PolarHBondContact O-OH 2.99Å; P14-Y485 VanDerWaalsContact O-OH 3.09Å; P14-Q513 PolarHBondContact O-OE1 3.12Å; P14-P516 HydrophobicContact CB-CG 3.71Å; P14-P516 HydrophobicContact CG-CG 4.39Å
15	S	40.2	Very low	58.7	Low	132 Å²	132	91.9 Å²	91.9	92%	0.923	55%	0.553	S	S	*	*			trans	-69.6	84.8	-178.2	58.2	0	0	0	0	111.9	P13	P13-S15 PolarHBondContact O-N 3.47Å
16	G	54.6	Low	61.8	Low	37 Å²	37	84.1 Å²	84.1	38%	0.381	52%	0.517	S	S	.	.			trans	-114.3	163.5	159.6	0	0	0	0	0	110.8	P14 E18 Q513	P14-G16 PolarHBondContact O-N 2.98Å; G16-E18 PolarHBondContact O-N 3.14Å; G16-Q513 VanDerWaalsContact CA-NE2 3.31Å; G16-Q513 VanDerWaalsContact CA-OE1 3.29Å; G16-Q513 PolarHBondContact O-NE2 3.25Å
17	E	63	Low	64.5	Low	155 Å²	155	81.7 Å²	81.7	72%	0.724	51%	0.506	S	S	*	.			trans	-59	111.4	173.2	-68.8	175.8	172	0	0	109.7	Q513	E17-Q513 PolarHBondContact O-NE2 2.89Å
18	E	77	Confident	67.6	Low	124 Å²	124	79.3 Å²	79.3	58%	0.579	48%	0.478	S	S	*	.			trans	-63.2	133.2	169.8	-73.2	178.1	175.7	0	0	108.7	G16	G16-E18 PolarHBondContact O-N 3.14Å
19	I	89	Confident	70.3	Confident	18 Å²	18	74.5 Å²	74.5	9%	0.092	46%	0.461	C	S	.	.			trans	-94.4	115.1	176	-64.9	170.6	0	0	0	107.2	I24 N414 I487 P562	I19-I24 HydrophobicContact CG2-CD1 3.88Å; I19-I24 HydrophobicContact CG2-CG1 3.78Å; I19-N414 PolarHBondContact O-ND2 3.15Å; I19-I487 HydrophobicContact CB-CG2 4.43Å; I19-I487 HydrophobicContact CD1-CD1 3.86Å; I19-I487 HydrophobicContact CG2-CD1 4.48Å; I19-P562 HydrophobicContact CD1-CB 3.31Å; I19-P562 HydrophobicContact CD1-CG 3.96Å; I19-P562 HydrophobicContact CG1-CB 4Å; I19-P562 HydrophobicContact CG2-CB 4.38Å
20	C	88.4	Confident	73.1	Confident	42 Å²	42	70 Å²	70	28%	0.284	43%	0.432	S	S	.	.			trans	-99.9	157	173.4	-60.6	0	0	0	0	110.9	S22 D23 D415	C20-S22 VanDerWaalsContact C-N 3.25Å; C20-S22 PolarHBondContact O-N 3.23Å; C20-D23 PolarHBondContact O-N 3.31Å; C20-D23 VanDerWaalsContact O-N 3.07Å; C20-D415 WeakPolarHBondContact CA-OD1 3.37Å
21	A	88.3	Confident	75.8	Confident	26 Å²	26	67 Å²	67	22%	0.215	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-59.2	-34.5	-179.5	0	0	0	0	0	113.2	D23 D415 T416	A21-D23 PolarHBondContact O-N 3.49Å; A21-D415 HydrophobicContact CB-CB 4.41Å; A21-D415 WeakPolarHBondContact CB-OD2 3Å; A21-D415 VanDerWaalsContact N-CG 3.3Å; A21-D415 PolarHBondContact N-OD1 2.9Å; A21-D415 PolarHBondContact N-OD2 3.37Å; A21-D415 VanDerWaalsContact N-OD2 3.1Å; A21-T416 HydrophobicContact CB-CG2 4.18Å
22	S	89.7	Confident	78.2	Confident	101 Å²	101	62.8 Å²	62.8	71%	0.706	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-65.1	-23	177.9	55.9	0	0	0	0	114	C20	C20-S22 VanDerWaalsContact C-N 3.25Å; C20-S22 PolarHBondContact O-N 3.23Å
23	D	90.1	Very high	80.7	Confident	88 Å²	88	62.2 Å²	62.2	47%	0.471	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-93.7	-14	-170.8	-59.3	-15.8	0	0	0	111.9	C20 A21 N25 R561	C20-D23 PolarHBondContact O-N 3.31Å; C20-D23 VanDerWaalsContact O-N 3.07Å; A21-D23 PolarHBondContact O-N 3.49Å; D23-N25 PolarHBondContact O-N 2.95Å; D23-R561 WeakPolarHBondContact O-CB 3.29Å
24	I	93.4	Very high	83	Confident	25 Å²	25	58.9 Å²	58.9	13%	0.128	34%	0.343	C	S	.	.			trans	-81.6	116.2	-179	-58.6	173.7	0	0	0	109.3	I19 F26 T416 L489	I19-I24 HydrophobicContact CG2-CD1 3.88Å; I19-I24 HydrophobicContact CG2-CG1 3.78Å; I24-F26 HydrophobicContact CG2-CB 4.06Å; I24-T416 HydrophobicContact CD1-CG2 3.48Å; I24-T416 VanDerWaalsContact CD1-CG2 3.48Å; I24-L489 HydrophobicContact CD1-CD2 3.92Å; I24-L489 HydrophobicContact CG2-CD2 4.36Å
25	N	95.1	Very high	85.3	Confident	94 Å²	94	61.3 Å²	61.3	50%	0.503	35%	0.35	S	S	.	.			trans	-108.4	-0.3	170.3	69.4	5.7	0	0	0	113	D23 Q559 R561	D23-N25 PolarHBondContact O-N 2.95Å; N25-Q559 PolarHBondContact ND2-O 3.41Å; N25-R561 PolarHBondContact N-O 3.47Å; N25-R561 PolarHBondContact OD1-N 3.38Å; N25-R561 PolarHBondContact OD1-O 2.92Å
26	F	95.5	Very high	87.7	Confident	12 Å²	12	56.7 Å²	56.7	5%	0.053	31%	0.313	C	S	.	.	S	Bend	trans	-62.5	134	170.2	174.7	-105.8	0	0	0	110.9	I24 R28 L30 P31 L489 F532 P533 Y535 L560 R561	I24-F26 HydrophobicContact CG2-CB 4.06Å; F26-R28 PolarHBondContact O-N 2.94Å; F26-L30 HydrophobicContact CE2-CD1 4.31Å; F26-L30 HydrophobicContact CZ-CB 4.35Å; F26-P31 HydrophobicContact CE1-CG 3.7Å; F26-P31 HydrophobicContact CZ-CG 3.81Å; F26-L489 WeakPolarHBondContact CE1-O 3.3Å; F26-F532 HydrophobicContact CE1-CD1 4.25Å; F26-F532 HydrophobicContact CZ-CB 4.42Å; F26-F532 HydrophobicContact CZ-CD1 4.19Å; F26-P533 WeakPolarHBondContact CE2-O 3.22Å; F26-Y535 HydrophobicContact CD2-CD2 4.44Å; F26-Y535 AromaticContact CD2-CE2 3.67Å; F26-Y535 HydrophobicContact CD2-CE2 3.67Å; F26-Y535 HydrophobicContact CE2-CD2 4.37Å; F26-Y535 HydrophobicContact CE2-CE2 4.02Å; F26-Y535 HydrophobicContact CG-CE2 4.2Å; F26-L560 HydrophobicContact CB-CD1 4.16Å; F26-L560 HydrophobicContact CD2-CD1 4.29Å; F26-R561 WeakPolarHBondContact CB-O 3.35Å; F26-R561 PolarHBondContact N-O 3.45Å
27	D	94.8	Very high	89.4	Confident	80 Å²	80	55.2 Å²	55.2	43%	0.428	30%	0.296	S	S	.	.			trans	-72	102.1	175.6	-177.7	-5.3	0	0	0	110.4	T29 L30	D27-T29 VanDerWaalsContact CG-OG1 3.28Å; D27-T29 PolarHBondContact O-N 3.49Å; D27-T29 VanDerWaalsContact O-N 3.08Å; D27-T29 WeakPolarHBondContact OD1-CB 3.4Å; D27-T29 WeakPolarHBondContact OD1-CG2 3.34Å; D27-T29 PolarHBondContact OD1-N 2.99Å; D27-T29 PolarHBondContact OD1-OG1 3.28Å; D27-T29 PolarHBondContact OD2-OG1 2.96Å; D27-L30 HydrophobicContact CB-CD1 3.89Å; D27-L30 HydrophobicContact CB-CG 3.94Å; D27-L30 PolarHBondContact O-N 3.01Å
28	R	93.9	Very high	90.4	Very high	38 Å²	38	49.1 Å²	49.1	14%	0.143	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-10.3	-177.9	-62.6	-179.2	59	172.6	-2.7	113.9	F26 T416 Q418 C488 L489 A490 Q491	F26-R28 PolarHBondContact O-N 2.94Å; R28-T416 PolarHBondContact NH1-O 2.91Å; R28-T416 PolarHBondContact NH2-O 2.89Å; R28-Q418 VanDerWaalsContact NH1-CD 3.3Å; R28-Q418 VanDerWaalsContact NH1-NE2 3.13Å; R28-C488 PolarHBondContact NE-O 2.75Å; R28-C488 PolarHBondContact NH1-O 3.3Å; R28-C488 PolarHBondContact NH2-O 3.4Å; R28-C488 VanDerWaalsContact NH2-O 3.14Å; R28-L489 WeakPolarHBondContact CA-O 3.32Å; R28-A490 PolarHBondContact NE-O 2.97Å; R28-A490 PolarHBondContact NH2-O 3.31Å; R28-A490 CarbonylContact O-C 3.44Å; R28-A490 WeakPolarHBondContact O-CA 3.44Å; R28-Q491 PolarHBondContact O-N 2.77Å
29	T	93.4	Very high	90.6	Very high	56 Å²	56	49.2 Å²	49.2	34%	0.344	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-21.5	176.9	69.7	0	0	0	0	112.7	D27 L33	D27-T29 VanDerWaalsContact CG-OG1 3.28Å; D27-T29 PolarHBondContact O-N 3.49Å; D27-T29 VanDerWaalsContact O-N 3.08Å; D27-T29 WeakPolarHBondContact OD1-CB 3.4Å; D27-T29 WeakPolarHBondContact OD1-CG2 3.34Å; D27-T29 PolarHBondContact OD1-N 2.99Å; D27-T29 PolarHBondContact OD1-OG1 3.28Å; D27-T29 PolarHBondContact OD2-OG1 2.96Å; T29-L33 WeakPolarHBondContact O-CG 3.47Å
30	L	93.5	Very high	90.5	Very high	38 Å²	38	53 Å²	53	20%	0.199	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-43.3	-173.2	-63.4	175.7	0	0	0	114.9	F26 D27 G32 L33 P533	F26-L30 HydrophobicContact CE2-CD1 4.31Å; F26-L30 HydrophobicContact CZ-CB 4.35Å; D27-L30 HydrophobicContact CB-CD1 3.89Å; D27-L30 HydrophobicContact CB-CG 3.94Å; D27-L30 PolarHBondContact O-N 3.01Å; L30-G32 VanDerWaalsContact C-N 3.29Å; L30-G32 PolarHBondContact O-N 3.48Å; L30-L33 HydrophobicContact CD2-CD1 4.41Å; L30-L33 WeakPolarHBondContact O-CB 3.44Å; L30-L33 PolarHBondContact O-N 3.09Å; L30-L33 VanDerWaalsContact O-N 3.1Å; L30-P533 HydrophobicContact CB-CG 4.26Å; L30-P533 HydrophobicContact CD1-CB 4.3Å; L30-P533 HydrophobicContact CD1-CG 4.42Å
31	P	92.9	Very high	90.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-62.5	-36.9	-178	-21.4	33.3	0	0	0	112.8	F26 L33 H34 A490 Q496 Y498 F532	F26-P31 HydrophobicContact CE1-CG 3.7Å; F26-P31 HydrophobicContact CZ-CG 3.81Å; P31-L33 PolarHBondContact O-N 2.65Å; P31-H34 PolarHBondContact O-N 2.81Å; P31-A490 HydrophobicContact CB-CB 4.1Å; P31-A490 HydrophobicContact CG-CB 4.27Å; P31-Q496 PolarHBondContact O-NE2 3.35Å; P31-Y498 HydrophobicContact CB-CE1 4.17Å; P31-Y498 VanDerWaalsContact CB-OH 3.27Å; P31-Y498 WeakPolarHBondContact CB-OH 3.46Å; P31-F532 HydrophobicContact CB-CD1 4.36Å; P31-F532 HydrophobicContact CB-CE1 4.2Å; P31-F532 HydrophobicContact CG-CD1 3.78Å; P31-F532 HydrophobicContact CG-CE1 3.91Å
32	G	89	Confident	90.7	Very high	16 Å²	16	57 Å²	57	17%	0.165	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-60.2	-26.1	174.4	0	0	0	0	0	114.7	L30 H34	L30-G32 VanDerWaalsContact C-N 3.29Å; L30-G32 PolarHBondContact O-N 3.48Å; G32-H34 PolarHBondContact O-CD2 3.36Å
33	L	89.7	Confident	90.7	Very high	105 Å²	105	58.9 Å²	58.9	55%	0.55	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-82.4	-11.9	-177.8	-64.3	175.9	0	0	0	113.7	T29 L30 P31 Q35	T29-L33 WeakPolarHBondContact O-CG 3.47Å; L30-L33 HydrophobicContact CD2-CD1 4.41Å; L30-L33 WeakPolarHBondContact O-CB 3.44Å; L30-L33 PolarHBondContact O-N 3.09Å; L30-L33 VanDerWaalsContact O-N 3.1Å; P31-L33 PolarHBondContact O-N 2.65Å; L33-Q35 HydrophobicContact CB-CG 3.92Å; L33-Q35 PolarHBondContact O-N 3.38Å; L33-Q35 VanDerWaalsContact O-N 3.13Å
34	H	91.4	Very high	90.6	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.019	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	35.7	-179.7	-64	-89.4	0	0	0	114.5	P31 G32 Y36 L37 M139 Q496 T497	P31-H34 PolarHBondContact O-N 2.81Å; G32-H34 PolarHBondContact O-CD2 3.36Å; H34-Y36 HydrophobicContact CB-CE1 4Å; H34-Y36 AromaticContact ND1-CE1 3.61Å; H34-Y36 AromaticContact ND1-CZ 3.59Å; H34-Y36 PolarHBondContact ND1-OH 3.12Å; H34-Y36 PolarHBondContact O-N 2.92Å; H34-L37 HydrophobicContact CB-CD1 3.97Å; H34-L37 HydrophobicContact CB-CG 4.36Å; H34-L37 VanDerWaalsContact O-CB 3.29Å; H34-L37 WeakPolarHBondContact O-CB 3.39Å; H34-L37 PolarHBondContact O-N 3.47Å; H34-M139 HydrophobicContact CB-CE 3.81Å; H34-M139 WeakPolarHBondContact CD2-CE 3.4Å; H34-Q496 PolarHBondContact CE1-NE2 3.42Å; H34-Q496 PolarHBondContact NE2-NE2 3.43Å; H34-T497 PolarHBondContact CE1-O 3.42Å
35	Q	89.5	Confident	89.7	Confident	97 Å²	97	57 Å²	57	45%	0.453	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-58.2	-23.1	-174.2	-67.9	-180	-2	0	0	114.5	L33 L37 G38	L33-Q35 HydrophobicContact CB-CG 3.92Å; L33-Q35 PolarHBondContact O-N 3.38Å; L33-Q35 VanDerWaalsContact O-N 3.13Å; Q35-L37 PolarHBondContact O-N 2.95Å; Q35-L37 VanDerWaalsContact O-N 3.14Å; Q35-G38 PolarHBondContact O-N 2.98Å
36	Y	89.7	Confident	88.4	Confident	34 Å²	34	54.4 Å²	54.4	13%	0.133	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-62.2	-15.2	172.8	65.6	-91.5	0	0	0	113.2	H34 G38 Y498 I499 W531	H34-Y36 HydrophobicContact CB-CE1 4Å; H34-Y36 AromaticContact ND1-CE1 3.61Å; H34-Y36 AromaticContact ND1-CZ 3.59Å; H34-Y36 PolarHBondContact ND1-OH 3.12Å; H34-Y36 PolarHBondContact O-N 2.92Å; Y36-G38 VanDerWaalsContact C-N 3.3Å; Y36-Y498 AromaticContact CE1-CD1 3.86Å; Y36-Y498 HydrophobicContact CE1-CD1 3.86Å; Y36-Y498 WeakPolarHBondContact OH-CA 3.32Å; Y36-I499 HydrophobicContact CE2-CG2 3.88Å; Y36-I499 WeakPolarHBondContact CE2-O 3.37Å; Y36-I499 PolarHBondContact OH-N 2.8Å; Y36-I499 VanDerWaalsContact OH-N 3.1Å; Y36-W531 AromaticContact CD1-CD1 3.65Å; Y36-W531 HydrophobicContact CD1-CG 4.47Å; Y36-W531 AromaticContact CD2-CD1 3.87Å; Y36-W531 HydrophobicContact CE1-CB 4.42Å; Y36-W531 AromaticContact CE1-CD1 3.44Å; Y36-W531 VanDerWaalsContact CE1-CD1 3.44Å; Y36-W531 HydrophobicContact CE1-CG 4.21Å; Y36-W531 AromaticContact CE2-CD1 3.69Å; Y36-W531 AromaticContact CE2-NE1 3.76Å; Y36-W531 AromaticContact CG-CD1 3.85Å; Y36-W531 AromaticContact CZ-CD1 3.45Å; Y36-W531 VanDerWaalsContact CZ-CD1 3.45Å; Y36-W531 AromaticContact CZ-NE1 3.8Å
37	L	89.7	Confident	87.5	Confident	6 Å²	6	60.6 Å²	60.6	3%	0.031	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-84.8	0.9	171.3	-63.7	-179.8	0	0	0	113.2	H34 Q35 F41 P75 I77 R137 M139 I499	H34-L37 HydrophobicContact CB-CD1 3.97Å; H34-L37 HydrophobicContact CB-CG 4.36Å; H34-L37 VanDerWaalsContact O-CB 3.29Å; H34-L37 WeakPolarHBondContact O-CB 3.39Å; H34-L37 PolarHBondContact O-N 3.47Å; Q35-L37 PolarHBondContact O-N 2.95Å; Q35-L37 VanDerWaalsContact O-N 3.14Å; L37-F41 HydrophobicContact CB-CE2 3.66Å; L37-F41 HydrophobicContact CB-CZ 3.84Å; L37-F41 HydrophobicContact CD1-CZ 4.09Å; L37-P75 HydrophobicContact CD1-CB 3.71Å; L37-I77 HydrophobicContact CD2-CD1 4.14Å; L37-R137 VanDerWaalsContact O-CD 3.23Å; L37-R137 WeakPolarHBondContact O-CD 3.39Å; L37-R137 PolarHBondContact O-NE 2.96Å; L37-R137 PolarHBondContact O-NH1 3.29Å; L37-M139 HydrophobicContact CD1-CE 4.31Å; L37-I499 HydrophobicContact CD1-CG2 4.24Å; L37-I499 HydrophobicContact CD2-CG2 3.63Å; L37-I499 HydrophobicContact CG-CG2 4.4Å
38	G	85.4	Confident	86.7	Confident	28 Å²	28	59 Å²	59	29%	0.289	34%	0.339	S	S	.	.			trans	90.8	175.4	-177.5	0	0	0	0	0	113.7	Q35 Y36	Q35-G38 PolarHBondContact O-N 2.98Å; Y36-G38 VanDerWaalsContact C-N 3.3Å
39	T	81.2	Confident	86.3	Confident	125 Å²	125	63.1 Å²	63.1	77%	0.767	36%	0.358	S	S	*	.	S	Bend	trans	-102	-7.7	-172.4	46.1	0	0	0	0	114.1	F41	T39-F41 PolarHBondContact O-N 3.37Å; T39-F41 VanDerWaalsContact O-N 3.12Å
40	D	85.6	Confident	86.2	Confident	99 Å²	99	62.3 Å²	62.3	53%	0.529	35%	0.352	S	S	.	.			trans	-93.3	32.7	-163.4	-40.2	-46.9	0	0	0	112.2	C126	D40-C126 WeakPolarHBondContact O-CB 3.24Å; D40-C126 PolarHBondContact O-SG 2.87Å
41	F	89.9	Confident	86.2	Confident	53 Å²	53	67.1 Å²	67.1	23%	0.232	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-77.8	132.7	176.7	-81.9	-90.6	0	0	0	110.4	L37 T39 A124 C126 R137	L37-F41 HydrophobicContact CB-CE2 3.66Å; L37-F41 HydrophobicContact CB-CZ 3.84Å; L37-F41 HydrophobicContact CD1-CZ 4.09Å; T39-F41 PolarHBondContact O-N 3.37Å; T39-F41 VanDerWaalsContact O-N 3.12Å; F41-A124 HydrophobicContact CB-CB 4.14Å; F41-A124 HydrophobicContact CD1-CB 3.8Å; F41-A124 HydrophobicContact CG-CB 4.35Å; F41-C126 HydrophobicContact CD1-CB 4.24Å; F41-C126 HydrophobicContact CE1-CB 4.37Å; F41-C126 HydrophobicContact CG-CB 4.36Å; F41-R137 HydrophobicContact CE1-CB 4.06Å; F41-R137 HydrophobicContact CZ-CB 3.7Å
42	V	91.5	Very high	86.1	Confident	99 Å²	99	70.2 Å²	70.2	60%	0.6	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	124.8	169.8	-178.1	0	0	0	0	108.4	V44 A124 I125	V42-V44 PolarHBondContact O-N 2.88Å; V42-A124 VanDerWaalsContact O-CA 3.3Å; V42-A124 WeakPolarHBondContact O-CA 3.44Å; V42-I125 PolarHBondContact N-O 3.25Å; V42-I125 PolarHBondContact O-N 3.03Å
43	D	90.1	Very high	86.3	Confident	140 Å²	140	71.8 Å²	71.8	75%	0.749	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.9	128.9	175.3	-74.4	-21.2	0	0	0	110.7
44	V	87.4	Confident	86.6	Confident	16 Å²	16	68.5 Å²	68.5	10%	0.097	40%	0.395	C	S	.	.			trans	-97.3	108.1	175.2	176	0	0	0	0	107.9	V42 K94 L122 V123 I125	V42-V44 PolarHBondContact O-N 2.88Å; V44-K94 HydrophobicContact CG1-CD 3.78Å; V44-L122 HydrophobicContact CB-CG 4.21Å; V44-L122 WeakPolarHBondContact CB-O 3.12Å; V44-L122 HydrophobicContact CG1-CB 4.39Å; V44-L122 HydrophobicContact CG1-CD2 4.27Å; V44-L122 HydrophobicContact CG1-CG 4.23Å; V44-L122 VanDerWaalsContact CG1-O 3.26Å; V44-L122 WeakPolarHBondContact CG1-O 3.1Å; V44-L122 HydrophobicContact CG2-CD2 3.97Å; V44-L122 HydrophobicContact CG2-CG 4Å; V44-V123 PolarHBondContact N-O 3.4Å; V44-I125 HydrophobicContact CG2-CB 4.3Å; V44-I125 HydrophobicContact CG2-CG2 3.7Å
45	G	75.5	Confident	86.8	Confident	57 Å²	57	76.2 Å²	76.2	59%	0.588	43%	0.431	S	S	*	.			trans	-69.5	145.2	168.1	0	0	0	0	0	111
46	G	67.2	Low	87	Confident	40 Å²	40	73 Å²	73	41%	0.412	42%	0.418	S	S	.	.			trans	136.1	123.7	-179.5	0	0	0	0	0	110.1
47	R	75.8	Confident	87.1	Confident	141 Å²	141	77.4 Å²	77.4	53%	0.532	44%	0.44	S	S	.	.			trans	-136.9	118.6	173.4	-64.7	-177.5	-173.7	156.6	-8.5	107	S260	R47-S260 VanDerWaalsContact CZ-O 3.31Å; R47-S260 PolarHBondContact NH1-O 3.48Å
48	T	78.8	Confident	87.2	Confident	48 Å²	48	78.1 Å²	78.1	29%	0.294	44%	0.443	S	S	.	.			trans	-107.7	119.5	177	-54.4	0	0	0	0	107.8	L50 P96	T48-L50 HydrophobicContact CG2-CD2 3.93Å; T48-L50 HydrophobicContact CG2-CG 4.19Å; T48-P96 HydrophobicContact CG2-CG 4.05Å
49	F	85.4	Confident	87.6	Confident	123 Å²	123	79 Å²	79	54%	0.539	44%	0.438	S	S	.	.			trans	-117.4	124.2	170.3	-166.1	-90.3	0	0	0	107.6	Q144	F49-Q144 HydrophobicContact CD2-CG 3.95Å; F49-Q144 HydrophobicContact CE2-CG 3.77Å; F49-Q144 VanDerWaalsContact CE2-NE2 3.28Å; F49-Q144 HydrophobicContact CZ-CG 4.47Å
50	L	91.4	Very high	88.2	Confident	40 Å²	40	73.1 Å²	73.1	21%	0.209	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-103.3	147.2	-177.9	-61.8	175.8	0	0	0	109.8	T48 T56 M58 Q144 I165	T48-L50 HydrophobicContact CG2-CD2 3.93Å; T48-L50 HydrophobicContact CG2-CG 4.19Å; L50-T56 HydrophobicContact CD1-CG2 3.86Å; L50-M58 HydrophobicContact CD1-CE 3.75Å; L50-Q144 PolarHBondContact O-NE2 3.04Å; L50-I165 HydrophobicContact CB-CD1 4.23Å; L50-I165 HydrophobicContact CB-CG1 3.81Å; L50-I165 HydrophobicContact CD1-CD1 3.82Å; L50-I165 HydrophobicContact CD1-CG1 4.01Å
51	E	92.2	Very high	88.5	Confident	139 Å²	139	68.8 Å²	68.8	65%	0.65	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-65.3	137.7	179.7	-69.6	-57.5	140.2	0	0	111.3	G53 S54	E51-G53 PolarHBondContact O-N 2.76Å; E51-S54 VanDerWaalsContact O-CB 3.24Å; E51-S54 WeakPolarHBondContact O-CB 3.3Å; E51-S54 PolarHBondContact O-N 3.25Å; E51-S54 VanDerWaalsContact O-N 3.11Å; E51-S54 PolarHBondContact O-OG 2.66Å
52	P	92.3	Very high	88.6	Confident	64 Å²	64	69.3 Å²	69.3	42%	0.416	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	138.4	171.7	-28.4	37.1	0	0	0	112.7	S54 P167	P52-S54 PolarHBondContact O-N 2.86Å; P52-P167 HydrophobicContact CB-CB 4.01Å
53	G	93.3	Very high	88.4	Confident	49 Å²	49	65.4 Å²	65.4	51%	0.505	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	-8.7	-177.9	0	0	0	0	0	114.6	E51 T164 I165	E51-G53 PolarHBondContact O-N 2.76Å; G53-T164 WeakPolarHBondContact O-CG2 3.38Å; G53-I165 PolarHBondContact N-O 2.87Å
54	S	95	Very high	88.3	Confident	37 Å²	37	64 Å²	64	26%	0.259	34%	0.341	S	S	.	.			trans	-66.2	136.5	174.8	64.3	0	0	0	0	111.4	E51 P52 T164 I165	E51-S54 VanDerWaalsContact O-CB 3.24Å; E51-S54 WeakPolarHBondContact O-CB 3.3Å; E51-S54 PolarHBondContact O-N 3.25Å; E51-S54 VanDerWaalsContact O-N 3.11Å; E51-S54 PolarHBondContact O-OG 2.66Å; P52-S54 PolarHBondContact O-N 2.86Å; S54-T164 WeakPolarHBondContact O-CA 3.31Å; S54-I165 PolarHBondContact O-N 2.79Å
55	E	95.5	Very high	88.2	Confident	165 Å²	165	66.2 Å²	66.2	77%	0.771	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	131.5	167.9	-64.6	-170.7	167.8	0	0	109.4	G163	E55-G163 WeakPolarHBondContact CA-O 3.46Å
56	T	93.9	Very high	88.8	Confident	29 Å²	29	63.9 Å²	63.9	18%	0.178	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	160	-178.4	-171.4	0	0	0	0	110.8	L50 M58 I146 H162 G163 I165	L50-T56 HydrophobicContact CD1-CG2 3.86Å; T56-M58 HydrophobicContact CG2-CE 3.79Å; T56-I146 HydrophobicContact CG2-CD1 3.69Å; T56-H162 WeakPolarHBondContact O-CA 3.33Å; T56-G163 PolarHBondContact N-O 3.31Å; T56-G163 PolarHBondContact O-N 2.91Å; T56-I165 HydrophobicContact CG2-CD1 4Å; T56-I165 HydrophobicContact CG2-CG1 4.16Å
57	H	92.3	Very high	90.1	Very high	127 Å²	127	62.4 Å²	62.4	59%	0.588	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.7	133.5	170.6	65.4	-77.8	0	0	0	109.9	C161 H162	H57-C161 VanDerWaalsContact CA-O 3.27Å; H57-C161 WeakPolarHBondContact CA-O 3.01Å; H57-H162 WeakPolarHBondContact CB-ND1 3.24Å
58	M	91.9	Very high	91	Very high	22 Å²	22	56.2 Å²	56.2	11%	0.108	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	171.1	178.1	60.2	-173.4	79	0	0	109.9	L50 T56 P96 I98 T119 V160 C161	L50-M58 HydrophobicContact CD1-CE 3.75Å; T56-M58 HydrophobicContact CG2-CE 3.79Å; M58-P96 HydrophobicContact CE-CG 4.08Å; M58-P96 HydrophobicContact SD-CB 4.14Å; M58-P96 HydrophobicContact SD-CG 3.79Å; M58-I98 HydrophobicContact CG-CB 4.44Å; M58-I98 HydrophobicContact CG-CD1 3.32Å; M58-I98 HydrophobicContact CG-CG1 3.43Å; M58-I98 VanDerWaalsContact CG-CG1 3.43Å; M58-I98 HydrophobicContact SD-CD1 4.06Å; M58-I98 HydrophobicContact SD-CG1 3.62Å; M58-T119 HydrophobicContact CE-CG2 4.29Å; M58-T119 HydrophobicContact SD-CG2 4.27Å; M58-V160 WeakPolarHBondContact O-CA 3.48Å; M58-C161 PolarHBondContact N-O 2.79Å; M58-C161 PolarHBondContact O-N 3.32Å
59	Y	93.4	Very high	91.8	Very high	46 Å²	46	54 Å²	54	18%	0.18	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	146.1	172.3	-59.4	-64.1	0	0	0	110.1	L86 K89 L97 I98 P158 L159 V160	Y59-L86 HydrophobicContact CD1-CD1 4.17Å; Y59-L86 HydrophobicContact CD2-CD1 4.24Å; Y59-L86 HydrophobicContact CG-CD1 3.8Å; Y59-K89 HydrophobicContact CE2-CD 4.09Å; Y59-K89 WeakPolarHBondContact OH-CE 3.33Å; Y59-K89 PolarHBondContact OH-NZ 3.47Å; Y59-L97 VanDerWaalsContact C-CD1 3.48Å; Y59-L97 VanDerWaalsContact O-CD1 3.26Å; Y59-L97 WeakPolarHBondContact O-CD1 3.32Å; Y59-I98 PolarHBondContact O-N 3.49Å; Y59-P158 HydrophobicContact CD1-CB 3.56Å; Y59-P158 HydrophobicContact CE1-CB 3.38Å; Y59-P158 HydrophobicContact CE1-CG 4.41Å; Y59-L159 CarbonylContact C-O 3.56Å; Y59-L159 WeakPolarHBondContact CA-O 3.46Å; Y59-V160 HydrophobicContact CD1-CG2 3.96Å; Y59-V160 HydrophobicContact CE1-CG2 4.17Å
60	A	93.4	Very high	92.3	Very high	2 Å²	2	48.5 Å²	48.5	2%	0.017	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	156.5	177.8	0	0	0	0	0	110.8	I98 L100 L159 C161	A60-I98 CarbonylContact C-O 3.57Å; A60-I98 WeakPolarHBondContact CA-O 3.08Å; A60-I98 HydrophobicContact CB-CB 4Å; A60-I98 HydrophobicContact CB-CG2 4.36Å; A60-L100 HydrophobicContact CB-CD1 4.28Å; A60-L100 HydrophobicContact CB-CG 4.24Å; A60-L159 HydrophobicContact CB-CD2 4.1Å; A60-L159 HydrophobicContact CB-CG 4.04Å; A60-L159 PolarHBondContact N-O 2.87Å; A60-C161 HydrophobicContact CB-CB 3.84Å; A60-C161 WeakPolarHBondContact CB-SG 3.48Å
61	F	92.2	Very high	92.3	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.035	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	138.4	-177.4	-167.6	-97.1	0	0	0	109.7	R63 L76 E83 L86 L97 I98 F99 L100	F61-R63 HydrophobicContact CD1-CG 4.14Å; F61-R63 HydrophobicContact CE1-CG 3.36Å; F61-R63 HydrophobicContact CZ-CG 4.1Å; F61-L76 HydrophobicContact CD1-CD2 4.48Å; F61-L76 HydrophobicContact CE1-CD1 3.56Å; F61-L76 HydrophobicContact CE1-CD2 3.76Å; F61-L76 HydrophobicContact CE1-CG 4.32Å; F61-L76 HydrophobicContact CE2-CD2 4.06Å; F61-L76 HydrophobicContact CZ-CD1 3.65Å; F61-L76 HydrophobicContact CZ-CD2 3.56Å; F61-L76 HydrophobicContact CZ-CG 4.18Å; F61-E83 HydrophobicContact CE2-CB 4.41Å; F61-E83 HydrophobicContact CE2-CG 3.95Å; F61-L86 HydrophobicContact CD2-CD2 4.08Å; F61-L97 HydrophobicContact CB-CD1 4.14Å; F61-L97 HydrophobicContact CB-CD2 3.67Å; F61-L97 HydrophobicContact CB-CG 3.94Å; F61-L97 HydrophobicContact CG-CD2 4.24Å; F61-I98 PolarHBondContact N-O 3.44Å; F61-F99 HydrophobicContact CB-CD1 4.47Å; F61-F99 HydrophobicContact CB-CE1 4.32Å; F61-F99 AromaticContact CD1-CD1 3.98Å; F61-F99 HydrophobicContact CD1-CD1 3.98Å; F61-F99 AromaticContact CD1-CE1 3.45Å; F61-F99 HydrophobicContact CD1-CE1 3.45Å; F61-F99 VanDerWaalsContact CD1-CE1 3.45Å; F61-F99 HydrophobicContact CD1-CZ 4.18Å; F61-F99 HydrophobicContact CE1-CE1 4.16Å; F61-F99 HydrophobicContact CG-CE1 4.23Å; F61-L100 PolarHBondContact O-N 3.13Å
62	Y	91.1	Very high	92.3	Very high	63 Å²	63	41.6 Å²	41.6	25%	0.247	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	129.1	-176.9	172.1	-100.7	0	0	0	110	L100 Q104 H106 F112	Y62-L100 HydrophobicContact CD2-CB 4.23Å; Y62-Q104 PolarHBondContact OH-O 3.22Å; Y62-H106 AromaticContact CE2-CD2 3.8Å; Y62-F112 AromaticContact CD2-CE1 3.68Å; Y62-F112 HydrophobicContact CD2-CE1 3.68Å; Y62-F112 AromaticContact CD2-CZ 3.45Å; Y62-F112 HydrophobicContact CD2-CZ 3.45Å; Y62-F112 VanDerWaalsContact CD2-CZ 3.45Å; Y62-F112 AromaticContact CE2-CE1 3.86Å; Y62-F112 HydrophobicContact CE2-CE1 3.86Å; Y62-F112 AromaticContact CE2-CZ 3.67Å; Y62-F112 HydrophobicContact CE2-CZ 3.67Å; Y62-F112 HydrophobicContact CG-CZ 4.06Å
63	R	89.3	Confident	92.4	Very high	17 Å²	17	40 Å²	40	6%	0.064	21%	0.213	C	C	.	.			trans	-134.3	128.6	169.7	-79.7	-77.7	-168.7	-108	4.9	108.3	F61 V66 I77 E83 G102 L505	F61-R63 HydrophobicContact CD1-CG 4.14Å; F61-R63 HydrophobicContact CE1-CG 3.36Å; F61-R63 HydrophobicContact CZ-CG 4.1Å; R63-V66 HydrophobicContact CB-CB 3.99Å; R63-V66 HydrophobicContact CB-CG2 3.63Å; R63-V66 PolarHBondContact O-N 3.18Å; R63-I77 PolarHBondContact NH2-O 2.96Å; R63-E83 IonicContact CZ-OE1 2.71Å; R63-E83 IonicContact CZ-OE2 2.83Å; R63-E83 IonicContact NH1-OE1 3.14Å; R63-E83 PolarHBondContact NH1-OE1 2.92Å; R63-E83 IonicContact NH1-OE2 3.24Å; R63-E83 PolarHBondContact NH1-OE2 2.77Å; R63-E83 IonicContact NH2-OE1 3.42Å; R63-E83 PolarHBondContact NH2-OE1 2.92Å; R63-E83 IonicContact NH2-OE2 2.86Å; R63-E83 PolarHBondContact NH2-OE2 2.96Å; R63-G102 WeakPolarHBondContact O-CA 3.2Å; R63-L505 HydrophobicContact CB-CD1 4.25Å; R63-L505 HydrophobicContact CG-CD1 3.99Å
64	K	86.9	Confident	92.4	Very high	110 Å²	110	37.8 Å²	37.8	48%	0.478	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	143	170.3	-179.7	168	179.4	156.4	0	110	V66 D105	K64-V66 PolarHBondContact O-N 3.02Å; K64-D105 WeakPolarHBondContact CD-OD1 3.3Å; K64-D105 VanDerWaalsContact CE-OD1 3.24Å; K64-D105 WeakPolarHBondContact CE-OD1 3.27Å; K64-D105 VanDerWaalsContact NZ-CG 3.29Å; K64-D105 IonicContact NZ-OD1 2.93Å; K64-D105 PolarHBondContact NZ-OD1 2.82Å; K64-D105 IonicContact NZ-OD2 2.66Å; K64-D105 PolarHBondContact NZ-OD2 3.31Å
65	D	85.4	Confident	92.4	Very high	63 Å²	63	36 Å²	36	34%	0.337	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	5.6	-178.6	-56.2	-23.4	0	0	0	116	G102 Q571	D65-G102 WeakPolarHBondContact CA-O 3.49Å; D65-G102 PolarHBondContact N-O 3.25Å; D65-Q571 PolarHBondContact OD2-NE2 3.18Å
66	V	89	Confident	92.3	Very high	9 Å²	9	28.1 Å²	28.1	6%	0.055	14%	0.141	C	C	.	.			trans	-105.1	121	-179.4	-178.5	0	0	0	0	111.1	R63 K64 L74 G102 L505	R63-V66 HydrophobicContact CB-CB 3.99Å; R63-V66 HydrophobicContact CB-CG2 3.63Å; R63-V66 PolarHBondContact O-N 3.18Å; K64-V66 PolarHBondContact O-N 3.02Å; V66-L74 HydrophobicContact CG1-CD1 3.98Å; V66-L74 HydrophobicContact CG1-CD2 3.92Å; V66-G102 WeakPolarHBondContact O-CA 3.48Å; V66-G102 PolarHBondContact O-N 3.08Å; V66-L505 HydrophobicContact CG2-CB 4.09Å; V66-L505 HydrophobicContact CG2-CD1 3.57Å; V66-L505 HydrophobicContact CG2-CG 4.46Å
67	V	92.8	Very high	92.3	Very high	9 Å²	9	27.4 Å²	27.4	6%	0.055	14%	0.136	C	C	.	.			trans	-124.3	100.4	166.3	179.9	0	0	0	0	107.2	P101 Y103 K445 L449	V67-P101 HydrophobicContact CG2-CB 4.34Å; V67-Y103 HydrophobicContact CG2-CD1 4.13Å; V67-K445 HydrophobicContact CB-CD 4.1Å; V67-K445 HydrophobicContact CG1-CD 4.27Å; V67-K445 HydrophobicContact CG1-CG 4.32Å; V67-K445 WeakPolarHBondContact O-CE 3.35Å; V67-K445 PolarHBondContact O-NZ 3.42Å; V67-L449 HydrophobicContact CG1-CD2 4.28Å
68	L	95.5	Very high	92.3	Very high	11 Å²	11	22 Å²	22	6%	0.058	11%	0.112	C	C	.	.			trans	-72.9	132.4	-179.4	-177.1	59.2	0	0	0	110.3	L74 F99 T118 A120	L68-L74 HydrophobicContact CD1-CB 3.98Å; L68-F99 HydrophobicContact CB-CB 4.02Å; L68-F99 HydrophobicContact CB-CG 4.4Å; L68-F99 HydrophobicContact CD2-CB 3.99Å; L68-F99 HydrophobicContact CD2-CD1 4.48Å; L68-F99 HydrophobicContact CD2-CD2 3.6Å; L68-F99 HydrophobicContact CD2-CE2 4.2Å; L68-F99 HydrophobicContact CD2-CG 3.75Å; L68-T118 HydrophobicContact CB-CG2 4.5Å; L68-T118 HydrophobicContact CD2-CG2 4.24Å; L68-T118 HydrophobicContact CG-CG2 4.06Å; L68-T118 VanDerWaalsContact O-CB 3.3Å; L68-T118 WeakPolarHBondContact O-CB 3.18Å; L68-T118 PolarHBondContact O-OG1 3.36Å; L68-A120 HydrophobicContact CD2-CB 3.61Å
69	V	95.5	Very high	92	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.128	C	C	.	.			trans	-107.8	141.5	179.4	-176.5	0	0	0	0	109	G71 H72 Y432 I435 L449	V69-G71 PolarHBondContact O-N 2.89Å; V69-H72 PolarHBondContact O-N 2.84Å; V69-H72 VanDerWaalsContact O-N 3.12Å; V69-Y432 HydrophobicContact CG1-CD1 3.77Å; V69-Y432 HydrophobicContact CG1-CG 4.22Å; V69-Y432 WeakPolarHBondContact CG1-O 3.2Å; V69-I435 HydrophobicContact CG1-CB 4.35Å; V69-I435 HydrophobicContact CG1-CG2 4.26Å; V69-I435 HydrophobicContact CG2-CG2 3.72Å; V69-L449 HydrophobicContact CG1-CD1 4.3Å
70	P	95.6	Very high	91.6	Very high	8 Å²	8	26.5 Å²	26.5	5%	0.052	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.2	135.2	168.1	-34	39.8	0	0	0	113.2	H72 T118 R143 R145 Y432	P70-H72 VanDerWaalsContact C-N 3.3Å; P70-H72 PolarHBondContact O-N 2.62Å; P70-H72 PolarHBondContact O-ND1 3.42Å; P70-H72 VanDerWaalsContact O-ND1 3.17Å; P70-T118 HydrophobicContact CG-CG2 4.3Å; P70-R143 WeakPolarHBondContact CB-O 3.44Å; P70-R145 HydrophobicContact CG-CG 3.93Å; P70-Y432 HydrophobicContact CB-CD1 4.12Å; P70-Y432 HydrophobicContact CB-CD2 4Å; P70-Y432 HydrophobicContact CB-CE1 4.19Å; P70-Y432 HydrophobicContact CB-CE2 4.06Å; P70-Y432 HydrophobicContact CB-CG 4.03Å; P70-Y432 HydrophobicContact CG-CD1 4.04Å; P70-Y432 HydrophobicContact CG-CE1 3.76Å; P70-Y432 HydrophobicContact CG-CE2 4.32Å; P70-Y432 HydrophobicContact CG-CG 4.45Å
71	G	92	Very high	91.3	Very high	22 Å²	22	31 Å²	31	23%	0.227	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	-7.4	-179.7	0	0	0	0	0	115.9	V69 G142	V69-G71 PolarHBondContact O-N 2.89Å; G71-G142 PolarHBondContact N-O 2.83Å
72	H	92.7	Very high	91	Very high	13 Å²	13	34.1 Å²	34.1	6%	0.06	18%	0.178	C	C	.	.			trans	-99.2	142.1	-178	-66.7	81.7	0	0	0	112.2	V69 P70 I141 G142 Y432 Q436	V69-H72 PolarHBondContact O-N 2.84Å; V69-H72 VanDerWaalsContact O-N 3.12Å; P70-H72 VanDerWaalsContact C-N 3.3Å; P70-H72 PolarHBondContact O-N 2.62Å; P70-H72 PolarHBondContact O-ND1 3.42Å; P70-H72 VanDerWaalsContact O-ND1 3.17Å; H72-I141 WeakPolarHBondContact O-CA 3.43Å; H72-G142 PolarHBondContact O-N 2.85Å; H72-Y432 PolarHBondContact CE1-O 2.79Å; H72-Q436 WeakPolarHBondContact CD2-CG 3.37Å; H72-Q436 VanDerWaalsContact CE1-CB 3.44Å; H72-Q436 WeakPolarHBondContact CE1-CB 3.47Å; H72-Q436 WeakPolarHBondContact NE2-CB 3.46Å; H72-Q436 WeakPolarHBondContact NE2-CG 3.38Å
73	S	92.8	Very high	91	Very high	30 Å²	30	31.4 Å²	31.4	21%	0.21	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	149.9	175.4	56.4	0	0	0	0	111.5	F140	S73-F140 CarbonylContact C-O 3.43Å; S73-F140 WeakPolarHBondContact CA-O 3.41Å
74	L	94.7	Very high	91	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	109.9	173.2	-174.6	70.6	0	0	0	109.4	V66 L68 F99 F140 T497 L505	V66-L74 HydrophobicContact CG1-CD1 3.98Å; V66-L74 HydrophobicContact CG1-CD2 3.92Å; L68-L74 HydrophobicContact CD1-CB 3.98Å; L74-F99 HydrophobicContact CD2-CD1 3.62Å; L74-F99 HydrophobicContact CD2-CE1 3.22Å; L74-F99 HydrophobicContact CD2-CG 4.48Å; L74-F99 HydrophobicContact CD2-CZ 3.8Å; L74-F140 HydrophobicContact CB-CB 4.46Å; L74-F140 PolarHBondContact N-O 2.83Å; L74-F140 PolarHBondContact O-N 2.77Å; L74-T497 HydrophobicContact CD1-CG2 3.7Å; L74-L505 HydrophobicContact CD1-CD1 4.26Å; L74-L505 HydrophobicContact CD1-CD2 4.25Å
75	P	95	Very high	91.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	150.1	170.2	29.7	-34.7	0	0	0	110.1	L37 A138 M139 T497 I499 L505	L37-P75 HydrophobicContact CD1-CB 3.71Å; P75-A138 CarbonylContact C-O 3.43Å; P75-A138 WeakPolarHBondContact CA-O 3.49Å; P75-M139 HydrophobicContact CB-CE 3.81Å; P75-M139 HydrophobicContact CB-SD 4.33Å; P75-T497 WeakPolarHBondContact CD-O 3.23Å; P75-I499 HydrophobicContact CB-CB 4.41Å; P75-I499 HydrophobicContact CB-CG2 3.89Å; P75-I499 HydrophobicContact CG-CB 4.23Å; P75-I499 HydrophobicContact CG-CG2 4.13Å; P75-L505 HydrophobicContact CG-CD2 4.29Å; P75-L505 VanDerWaalsContact O-CD2 3.23Å; P75-L505 WeakPolarHBondContact O-CD2 3.42Å
76	L	94	Very high	91.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	136.8	177	-170.9	70.1	0	0	0	111.8	F61 L87 A138 F140 L505	F61-L76 HydrophobicContact CD1-CD2 4.48Å; F61-L76 HydrophobicContact CE1-CD1 3.56Å; F61-L76 HydrophobicContact CE1-CD2 3.76Å; F61-L76 HydrophobicContact CE1-CG 4.32Å; F61-L76 HydrophobicContact CE2-CD2 4.06Å; F61-L76 HydrophobicContact CZ-CD1 3.65Å; F61-L76 HydrophobicContact CZ-CD2 3.56Å; F61-L76 HydrophobicContact CZ-CG 4.18Å; L76-L87 HydrophobicContact CD2-CD1 4.19Å; L76-L87 HydrophobicContact CD2-CD2 4.02Å; L76-A138 HydrophobicContact CB-CB 4.46Å; L76-A138 PolarHBondContact N-O 2.89Å; L76-A138 PolarHBondContact O-N 2.81Å; L76-F140 HydrophobicContact CD2-CE2 4.1Å; L76-L505 HydrophobicContact CD1-CD1 4.39Å
77	I	93.6	Very high	91.6	Very high	13 Å²	13	28.2 Å²	28.2	7%	0.067	16%	0.158	C	C	.	.			trans	-123	126.9	166.3	-64.4	168.9	0	0	0	105.2	L37 R63 P135 R137 I499	L37-I77 HydrophobicContact CD2-CD1 4.14Å; R63-I77 PolarHBondContact NH2-O 2.96Å; I77-P135 HydrophobicContact CG2-CB 3.79Å; I77-P135 HydrophobicContact CG2-CG 3.79Å; I77-R137 HydrophobicContact CG1-CG 4.11Å; I77-I499 HydrophobicContact CB-CD1 3.68Å; I77-I499 HydrophobicContact CD1-CD1 4.09Å; I77-I499 HydrophobicContact CD1-CG1 4.28Å; I77-I499 HydrophobicContact CD1-CG2 4.16Å; I77-I499 HydrophobicContact CG1-CD1 3.79Å
78	P	90.6	Very high	91.5	Very high	13 Å²	13	32.2 Å²	32.2	8%	0.084	18%	0.176	C	C	.	.			trans	-68.1	141.3	179.3	28.7	-31.9	0	0	0	110.4	E83 S84 L87 I136	P78-E83 WeakPolarHBondContact CA-OE2 3.45Å; P78-E83 HydrophobicContact CB-CB 3.56Å; P78-S84 WeakPolarHBondContact CB-OG 3.38Å; P78-S84 VanDerWaalsContact CG-OG 3.24Å; P78-S84 WeakPolarHBondContact CG-OG 3.42Å; P78-L87 HydrophobicContact CB-CD1 4.32Å; P78-L87 HydrophobicContact CG-CD1 4.26Å; P78-I136 WeakPolarHBondContact CD-O 3.48Å; P78-I136 HydrophobicContact CG-CB 4.24Å
79	Y	85.8	Confident	91.3	Very high	113 Å²	113	35.6 Å²	35.6	44%	0.443	19%	0.191	S	C	.	.	S	Bend	trans	-81.2	-29.4	175.4	-71.2	-45.2	0	0	0	112.3	E83 S502 G503 I504	Y79-E83 PolarHBondContact N-OE2 2.8Å; Y79-S502 WeakPolarHBondContact CE1-O 3.31Å; Y79-G503 VanDerWaalsContact CE1-C 3.44Å; Y79-G503 WeakPolarHBondContact CE1-O 3.32Å; Y79-G503 PolarHBondContact OH-O 2.79Å; Y79-I504 HydrophobicContact CE1-CG1 4.37Å; Y79-I504 WeakPolarHBondContact OH-CA 3.22Å
80	D	85.7	Confident	91	Very high	51 Å²	51	35.8 Å²	35.8	27%	0.273	19%	0.191	S	C	.	.	S	Bend	trans	-140.8	169.2	-170.6	66.3	49.5	0	0	0	111.9	L82 E83 S84	D80-L82 PolarHBondContact O-N 2.87Å; D80-L82 WeakPolarHBondContact OD1-CA 3.3Å; D80-L82 VanDerWaalsContact OD1-CB 3.3Å; D80-L82 WeakPolarHBondContact OD1-CB 3.37Å; D80-L82 PolarHBondContact OD1-N 3.01Å; D80-E83 PolarHBondContact O-N 3.35Å; D80-E83 PolarHBondContact OD1-N 3.14Å; D80-S84 PolarHBondContact O-N 2.86Å; D80-S84 PolarHBondContact O-OG 2.99Å; D80-S84 VanDerWaalsContact O-OG 3.09Å
81	P	86.6	Confident	90.8	Very high	96 Å²	96	36.9 Å²	36.9	62%	0.623	20%	0.197	S	C	*	.	H	α-helix	trans	-61.2	-30.3	178.6	-26.6	36.8	0	0	0	114	S84 D85	P81-S84 WeakPolarHBondContact O-CB 3.34Å; P81-S84 PolarHBondContact O-N 2.84Å; P81-D85 VanDerWaalsContact O-CG 3.27Å; P81-D85 PolarHBondContact O-N 3.1Å
82	L	87.2	Confident	90.8	Very high	74 Å²	74	44.6 Å²	44.6	39%	0.387	22%	0.224	S	C	.	.	H	α-helix	trans	-71.2	-37.9	-175.8	-56.2	164.1	0	0	0	111.2	D80 S84 D85 L86 Y157	D80-L82 PolarHBondContact O-N 2.87Å; D80-L82 WeakPolarHBondContact OD1-CA 3.3Å; D80-L82 VanDerWaalsContact OD1-CB 3.3Å; D80-L82 WeakPolarHBondContact OD1-CB 3.37Å; D80-L82 PolarHBondContact OD1-N 3.01Å; L82-S84 VanDerWaalsContact C-N 3.34Å; L82-D85 PolarHBondContact O-N 3.04Å; L82-L86 WeakPolarHBondContact O-CB 3.45Å; L82-L86 PolarHBondContact O-N 3.08Å; L82-Y157 HydrophobicContact CB-CD1 3.21Å; L82-Y157 HydrophobicContact CB-CD2 4.46Å; L82-Y157 HydrophobicContact CB-CE1 3.76Å; L82-Y157 HydrophobicContact CB-CG 3.6Å; L82-Y157 HydrophobicContact CD1-CD1 4.03Å; L82-Y157 HydrophobicContact CD1-CD2 3.71Å; L82-Y157 HydrophobicContact CD1-CE2 4.25Å; L82-Y157 HydrophobicContact CD1-CG 3.57Å; L82-Y157 HydrophobicContact CD2-CG 4.41Å; L82-Y157 HydrophobicContact CG-CD1 4.15Å; L82-Y157 HydrophobicContact CG-CG 4.05Å
83	E	90.1	Very high	90.6	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.028	24%	0.237	C	C	.	.	H	α-helix	trans	-67.3	-37	170.8	-66.3	-176.6	164.8	0	0	112.1	F61 R63 P78 Y79 D80 L86 L87 Y157	F61-E83 HydrophobicContact CE2-CB 4.41Å; F61-E83 HydrophobicContact CE2-CG 3.95Å; R63-E83 IonicContact CZ-OE1 2.71Å; R63-E83 IonicContact CZ-OE2 2.83Å; R63-E83 IonicContact NH1-OE1 3.14Å; R63-E83 PolarHBondContact NH1-OE1 2.92Å; R63-E83 IonicContact NH1-OE2 3.24Å; R63-E83 PolarHBondContact NH1-OE2 2.77Å; R63-E83 IonicContact NH2-OE1 3.42Å; R63-E83 PolarHBondContact NH2-OE1 2.92Å; R63-E83 IonicContact NH2-OE2 2.86Å; R63-E83 PolarHBondContact NH2-OE2 2.96Å; P78-E83 WeakPolarHBondContact CA-OE2 3.45Å; P78-E83 HydrophobicContact CB-CB 3.56Å; Y79-E83 PolarHBondContact N-OE2 2.8Å; D80-E83 PolarHBondContact O-N 3.35Å; D80-E83 PolarHBondContact OD1-N 3.14Å; E83-L86 PolarHBondContact O-N 3.34Å; E83-L87 WeakPolarHBondContact O-CG 3.26Å; E83-L87 PolarHBondContact O-N 3.47Å; E83-Y157 HydrophobicContact CG-CE1 4.11Å
84	S	90.3	Very high	90.4	Very high	25 Å²	25	50.5 Å²	50.5	18%	0.175	25%	0.247	C	C	.	.	H	α-helix	trans	-61.6	-45.8	174.9	-58.4	0	0	0	0	111.1	P78 D80 P81 L82 L86 L87 Q88	P78-S84 WeakPolarHBondContact CB-OG 3.38Å; P78-S84 VanDerWaalsContact CG-OG 3.24Å; P78-S84 WeakPolarHBondContact CG-OG 3.42Å; D80-S84 PolarHBondContact O-N 2.86Å; D80-S84 PolarHBondContact O-OG 2.99Å; D80-S84 VanDerWaalsContact O-OG 3.09Å; P81-S84 WeakPolarHBondContact O-CB 3.34Å; P81-S84 PolarHBondContact O-N 2.84Å; L82-S84 VanDerWaalsContact C-N 3.34Å; S84-L86 PolarHBondContact O-N 3.31Å; S84-L87 PolarHBondContact O-N 2.73Å; S84-Q88 WeakPolarHBondContact O-CG 3.33Å; S84-Q88 PolarHBondContact O-N 3.22Å
85	D	89.8	Confident	90	Very high	93 Å²	93	55.7 Å²	55.7	50%	0.497	27%	0.269	S	S	.	.	H	α-helix	trans	-62.3	-41.7	176.4	-70.7	-17	0	0	0	111.7	P81 L82 Q88 K89	P81-D85 VanDerWaalsContact O-CG 3.27Å; P81-D85 PolarHBondContact O-N 3.1Å; L82-D85 PolarHBondContact O-N 3.04Å; D85-Q88 PolarHBondContact O-N 2.98Å; D85-K89 VanDerWaalsContact O-CB 3.3Å; D85-K89 WeakPolarHBondContact O-CB 3.36Å; D85-K89 PolarHBondContact O-N 3.04Å
86	L	90.8	Very high	89.8	Confident	13 Å²	13	56.2 Å²	56.2	7%	0.068	27%	0.273	C	S	.	.	H	α-helix	trans	-60.6	-45.6	175.3	177.8	61.5	0	0	0	111.6	Y59 F61 L82 E83 S84 K89 I90 L97	Y59-L86 HydrophobicContact CD1-CD1 4.17Å; Y59-L86 HydrophobicContact CD2-CD1 4.24Å; Y59-L86 HydrophobicContact CG-CD1 3.8Å; F61-L86 HydrophobicContact CD2-CD2 4.08Å; L82-L86 WeakPolarHBondContact O-CB 3.45Å; L82-L86 PolarHBondContact O-N 3.08Å; E83-L86 PolarHBondContact O-N 3.34Å; S84-L86 PolarHBondContact O-N 3.31Å; L86-K89 PolarHBondContact O-N 2.82Å; L86-I90 HydrophobicContact CD1-CD1 3.79Å; L86-I90 HydrophobicContact CD1-CG1 4.19Å; L86-I90 HydrophobicContact CG-CD1 3.83Å; L86-I90 WeakPolarHBondContact O-CB 3.46Å; L86-I90 VanDerWaalsContact O-CG1 3.31Å; L86-I90 WeakPolarHBondContact O-CG1 3.41Å; L86-I90 PolarHBondContact O-N 2.77Å; L86-L97 HydrophobicContact CD2-CD1 4.43Å
87	L	92	Very high	89.8	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-64.1	-42.4	178.2	-70.2	178.5	0	0	0	112.2	L76 P78 E83 S84 K89 I90 N91 I136 A138 F140	L76-L87 HydrophobicContact CD2-CD1 4.19Å; L76-L87 HydrophobicContact CD2-CD2 4.02Å; P78-L87 HydrophobicContact CB-CD1 4.32Å; P78-L87 HydrophobicContact CG-CD1 4.26Å; E83-L87 WeakPolarHBondContact O-CG 3.26Å; E83-L87 PolarHBondContact O-N 3.47Å; S84-L87 PolarHBondContact O-N 2.73Å; L87-K89 VanDerWaalsContact C-N 3.33Å; L87-K89 PolarHBondContact O-N 3.12Å; L87-I90 PolarHBondContact O-N 2.77Å; L87-N91 WeakPolarHBondContact O-CB 3.26Å; L87-N91 PolarHBondContact O-N 3.49Å; L87-I136 HydrophobicContact CD1-CG2 4.16Å; L87-A138 HydrophobicContact CD1-CB 4.18Å; L87-A138 HydrophobicContact CD2-CB 4.2Å; L87-F140 HydrophobicContact CD2-CE2 3.69Å; L87-F140 HydrophobicContact CD2-CZ 3.61Å
88	Q	91.3	Very high	89.8	Confident	92 Å²	92	55.6 Å²	55.6	43%	0.43	27%	0.27	S	S	.	.	H	α-helix	trans	-62.3	-42.5	174.7	-70.3	-177.9	29.1	0	0	111.6	S84 D85 N91 K92 I136	S84-Q88 WeakPolarHBondContact O-CG 3.33Å; S84-Q88 PolarHBondContact O-N 3.22Å; D85-Q88 PolarHBondContact O-N 2.98Å; Q88-N91 PolarHBondContact O-N 2.9Å; Q88-K92 WeakPolarHBondContact O-CB 3.21Å; Q88-K92 PolarHBondContact O-N 2.95Å; Q88-I136 HydrophobicContact CG-CD1 3.82Å
89	K	90.3	Very high	90.1	Very high	83 Å²	83	55.3 Å²	55.3	36%	0.361	27%	0.267	S	S	.	.	H	α-helix	trans	-62.1	-47.6	177.5	-171.1	176.4	-165.8	175	0	111.9	Y59 D85 L86 L87 N91 K92 E93	Y59-K89 HydrophobicContact CE2-CD 4.09Å; Y59-K89 WeakPolarHBondContact OH-CE 3.33Å; Y59-K89 PolarHBondContact OH-NZ 3.47Å; D85-K89 VanDerWaalsContact O-CB 3.3Å; D85-K89 WeakPolarHBondContact O-CB 3.36Å; D85-K89 PolarHBondContact O-N 3.04Å; L86-K89 PolarHBondContact O-N 2.82Å; L87-K89 VanDerWaalsContact C-N 3.33Å; L87-K89 PolarHBondContact O-N 3.12Å; K89-N91 VanDerWaalsContact C-N 3.35Å; K89-N91 PolarHBondContact O-N 2.76Å; K89-K92 PolarHBondContact O-N 2.97Å; K89-E93 WeakPolarHBondContact CE-OE1 3.34Å; K89-E93 WeakPolarHBondContact CG-OE1 3.29Å; K89-E93 WeakPolarHBondContact O-CB 3.26Å; K89-E93 WeakPolarHBondContact O-CG 3.36Å; K89-E93 PolarHBondContact O-N 2.91Å
90	I	90.4	Very high	90.5	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-43.6	177.2	-73.1	168.2	0	0	0	110.9	L86 L87 K92 E93 K94 K95 L97 L122	L86-I90 HydrophobicContact CD1-CD1 3.79Å; L86-I90 HydrophobicContact CD1-CG1 4.19Å; L86-I90 HydrophobicContact CG-CD1 3.83Å; L86-I90 WeakPolarHBondContact O-CB 3.46Å; L86-I90 VanDerWaalsContact O-CG1 3.31Å; L86-I90 WeakPolarHBondContact O-CG1 3.41Å; L86-I90 PolarHBondContact O-N 2.77Å; L87-I90 PolarHBondContact O-N 2.77Å; I90-K92 VanDerWaalsContact C-N 3.31Å; I90-K92 PolarHBondContact O-N 2.82Å; I90-E93 PolarHBondContact O-N 3.29Å; I90-K94 WeakPolarHBondContact O-CA 3.38Å; I90-K94 PolarHBondContact O-N 3.24Å; I90-K95 WeakPolarHBondContact CG2-O 3.39Å; I90-L97 HydrophobicContact CD1-CB 4.08Å; I90-L97 HydrophobicContact CD1-CD1 3.48Å; I90-L97 VanDerWaalsContact CD1-CD1 3.48Å; I90-L97 HydrophobicContact CD1-CD2 3.84Å; I90-L97 HydrophobicContact CD1-CG 4.01Å; I90-L122 HydrophobicContact CG2-CB 4.29Å; I90-L122 HydrophobicContact CG2-CD2 4.34Å
91	N	91.8	Very high	90.9	Very high	32 Å²	32	47.9 Å²	47.9	17%	0.171	24%	0.235	C	C	.	.	H	α-helix	trans	-62.2	-38.2	176.7	-178	33.9	0	0	0	112.3	L87 Q88 K89 K94 L122 I125	L87-N91 WeakPolarHBondContact O-CB 3.26Å; L87-N91 PolarHBondContact O-N 3.49Å; Q88-N91 PolarHBondContact O-N 2.9Å; K89-N91 VanDerWaalsContact C-N 3.35Å; K89-N91 PolarHBondContact O-N 2.76Å; N91-K94 WeakPolarHBondContact O-CD 3.48Å; N91-K94 WeakPolarHBondContact O-CE 3.23Å; N91-K94 PolarHBondContact O-NZ 3.27Å; N91-K94 PolarHBondContact OD1-NZ 3.38Å; N91-L122 HydrophobicContact CB-CD2 3.8Å; N91-I125 HydrophobicContact CB-CD1 4.09Å
92	K	90.6	Very high	91	Very high	184 Å²	184	43.3 Å²	43.3	80%	0.8	21%	0.205	S	C	*	.	H	α-helix	trans	-69.9	-43.7	176.5	-175.8	179.8	178.7	179.9	0	112.3	Q88 K89 I90	Q88-K92 WeakPolarHBondContact O-CB 3.21Å; Q88-K92 PolarHBondContact O-N 2.95Å; K89-K92 PolarHBondContact O-N 2.97Å; I90-K92 VanDerWaalsContact C-N 3.31Å; I90-K92 PolarHBondContact O-N 2.82Å
93	E	88.5	Confident	90.8	Very high	71 Å²	71	42.8 Å²	42.8	33%	0.332	20%	0.199	S	C	.	.	H	α-helix	trans	-82.4	-14.2	-176.3	-67.3	-175.4	-153.2	0	0	113.7	K89 I90 K95	K89-E93 WeakPolarHBondContact CE-OE1 3.34Å; K89-E93 WeakPolarHBondContact CG-OE1 3.29Å; K89-E93 WeakPolarHBondContact O-CB 3.26Å; K89-E93 WeakPolarHBondContact O-CG 3.36Å; K89-E93 PolarHBondContact O-N 2.91Å; I90-E93 PolarHBondContact O-N 3.29Å; E93-K95 HydrophobicContact CB-CB 4.47Å; E93-K95 HydrophobicContact CB-CD 4.13Å; E93-K95 HydrophobicContact CB-CG 4.07Å; E93-K95 PolarHBondContact O-N 3.28Å; E93-K95 WeakPolarHBondContact OE2-CD 3.22Å; E93-K95 WeakPolarHBondContact OE2-CE 3.46Å; E93-K95 IonicContact OE2-NZ 2.65Å; E93-K95 PolarHBondContact OE2-NZ 3.49Å
94	K	89.1	Confident	90.2	Very high	95 Å²	95	46.6 Å²	46.6	41%	0.413	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	36	-175.7	-55	-61.1	-178.9	-163.5	0	113.2	V44 I90 N91	V44-K94 HydrophobicContact CG1-CD 3.78Å; I90-K94 WeakPolarHBondContact O-CA 3.38Å; I90-K94 PolarHBondContact O-N 3.24Å; N91-K94 WeakPolarHBondContact O-CD 3.48Å; N91-K94 WeakPolarHBondContact O-CE 3.23Å; N91-K94 PolarHBondContact O-NZ 3.27Å; N91-K94 PolarHBondContact OD1-NZ 3.38Å
95	K	86.6	Confident	89.6	Confident	111 Å²	111	50.4 Å²	50.4	48%	0.483	24%	0.235	S	C	.	.			trans	-99.5	152.4	-179.8	-73	-178.9	-172.5	161.9	0	111.7	I90 E93	I90-K95 WeakPolarHBondContact CG2-O 3.39Å; E93-K95 HydrophobicContact CB-CB 4.47Å; E93-K95 HydrophobicContact CB-CD 4.13Å; E93-K95 HydrophobicContact CB-CG 4.07Å; E93-K95 PolarHBondContact O-N 3.28Å; E93-K95 WeakPolarHBondContact OE2-CD 3.22Å; E93-K95 WeakPolarHBondContact OE2-CE 3.46Å; E93-K95 IonicContact OE2-NZ 2.65Å; E93-K95 PolarHBondContact OE2-NZ 3.49Å
96	P	91.4	Very high	89	Confident	12 Å²	12	47 Å²	47	8%	0.078	22%	0.216	C	C	.	.			trans	-71.3	164.4	172.4	31.5	-35.5	0	0	0	111.7	T48 M58 A120	T48-P96 HydrophobicContact CG2-CG 4.05Å; M58-P96 HydrophobicContact CE-CG 4.08Å; M58-P96 HydrophobicContact SD-CB 4.14Å; M58-P96 HydrophobicContact SD-CG 3.79Å; P96-A120 WeakPolarHBondContact CA-O 3.49Å
97	L	93	Very high	88.2	Confident	0 Å²	0	53 Å²	53	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.3	177.3	-174.3	61.2	0	0	0	109.4	Y59 F61 L86 I90 F99 T119 A120 F140	Y59-L97 VanDerWaalsContact C-CD1 3.48Å; Y59-L97 VanDerWaalsContact O-CD1 3.26Å; Y59-L97 WeakPolarHBondContact O-CD1 3.32Å; F61-L97 HydrophobicContact CB-CD1 4.14Å; F61-L97 HydrophobicContact CB-CD2 3.67Å; F61-L97 HydrophobicContact CB-CG 3.94Å; F61-L97 HydrophobicContact CG-CD2 4.24Å; L86-L97 HydrophobicContact CD2-CD1 4.43Å; I90-L97 HydrophobicContact CD1-CB 4.08Å; I90-L97 HydrophobicContact CD1-CD1 3.48Å; I90-L97 VanDerWaalsContact CD1-CD1 3.48Å; I90-L97 HydrophobicContact CD1-CD2 3.84Å; I90-L97 HydrophobicContact CD1-CG 4.01Å; L97-F99 HydrophobicContact CB-CE2 4.38Å; L97-F99 HydrophobicContact CD2-CE2 3.78Å; L97-F99 HydrophobicContact CD2-CZ 3.95Å; L97-F99 HydrophobicContact CG-CE2 4.21Å; L97-T119 CarbonylContact O-C 3.55Å; L97-T119 WeakPolarHBondContact O-CA 3.17Å; L97-A120 PolarHBondContact N-O 3.43Å; L97-A120 PolarHBondContact O-N 3.2Å; L97-F140 HydrophobicContact CB-CE1 4.11Å; L97-F140 HydrophobicContact CD2-CE1 3.78Å; L97-F140 HydrophobicContact CD2-CZ 3.8Å
98	I	94.9	Very high	88	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	121.1	169.7	-67.7	161.3	0	0	0	109.3	M58 Y59 A60 F61 L100 T119 I146 I148 C161	M58-I98 HydrophobicContact CG-CB 4.44Å; M58-I98 HydrophobicContact CG-CD1 3.32Å; M58-I98 HydrophobicContact CG-CG1 3.43Å; M58-I98 VanDerWaalsContact CG-CG1 3.43Å; M58-I98 HydrophobicContact SD-CD1 4.06Å; M58-I98 HydrophobicContact SD-CG1 3.62Å; Y59-I98 PolarHBondContact O-N 3.49Å; A60-I98 CarbonylContact C-O 3.57Å; A60-I98 WeakPolarHBondContact CA-O 3.08Å; A60-I98 HydrophobicContact CB-CB 4Å; A60-I98 HydrophobicContact CB-CG2 4.36Å; F61-I98 PolarHBondContact N-O 3.44Å; I98-L100 HydrophobicContact CG2-CD2 4.15Å; I98-T119 HydrophobicContact CG1-CG2 4.37Å; I98-I146 HydrophobicContact CD1-CD1 3.7Å; I98-I146 HydrophobicContact CG1-CD1 4.19Å; I98-I146 HydrophobicContact CG1-CG2 4.29Å; I98-I146 HydrophobicContact CG2-CG2 4Å; I98-I148 HydrophobicContact CG2-CD1 3.89Å; I98-C161 HydrophobicContact CD1-CB 3.9Å
99	F	95.2	Very high	87.8	Confident	7 Å²	7	53.6 Å²	53.6	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	117.4	165.7	-78.9	-96.3	0	0	0	109.8	F61 L68 L74 L97 G117 T118 A120 F140	F61-F99 HydrophobicContact CB-CD1 4.47Å; F61-F99 HydrophobicContact CB-CE1 4.32Å; F61-F99 AromaticContact CD1-CD1 3.98Å; F61-F99 HydrophobicContact CD1-CD1 3.98Å; F61-F99 AromaticContact CD1-CE1 3.45Å; F61-F99 HydrophobicContact CD1-CE1 3.45Å; F61-F99 VanDerWaalsContact CD1-CE1 3.45Å; F61-F99 HydrophobicContact CD1-CZ 4.18Å; F61-F99 HydrophobicContact CE1-CE1 4.16Å; F61-F99 HydrophobicContact CG-CE1 4.23Å; L68-F99 HydrophobicContact CB-CB 4.02Å; L68-F99 HydrophobicContact CB-CG 4.4Å; L68-F99 HydrophobicContact CD2-CB 3.99Å; L68-F99 HydrophobicContact CD2-CD1 4.48Å; L68-F99 HydrophobicContact CD2-CD2 3.6Å; L68-F99 HydrophobicContact CD2-CE2 4.2Å; L68-F99 HydrophobicContact CD2-CG 3.75Å; L74-F99 HydrophobicContact CD2-CD1 3.62Å; L74-F99 HydrophobicContact CD2-CE1 3.22Å; L74-F99 HydrophobicContact CD2-CG 4.48Å; L74-F99 HydrophobicContact CD2-CZ 3.8Å; L97-F99 HydrophobicContact CB-CE2 4.38Å; L97-F99 HydrophobicContact CD2-CE2 3.78Å; L97-F99 HydrophobicContact CD2-CZ 3.95Å; L97-F99 HydrophobicContact CG-CE2 4.21Å; F99-G117 VanDerWaalsContact O-CA 3.23Å; F99-G117 WeakPolarHBondContact O-CA 3.46Å; F99-T118 PolarHBondContact N-O 3.3Å; F99-T118 PolarHBondContact O-N 2.85Å; F99-A120 HydrophobicContact CD2-CB 3.48Å; F99-A120 VanDerWaalsContact CD2-CB 3.48Å; F99-A120 HydrophobicContact CE2-CB 3.55Å; F99-F140 HydrophobicContact CE2-CB 4.1Å; F99-F140 AromaticContact CE2-CD1 3.8Å; F99-F140 HydrophobicContact CE2-CD1 3.8Å; F99-F140 HydrophobicContact CE2-CD2 4.36Å; F99-F140 HydrophobicContact CE2-CE1 4.3Å; F99-F140 AromaticContact CE2-CG 3.82Å; F99-F140 HydrophobicContact CE2-CG 3.82Å; F99-F140 HydrophobicContact CZ-CB 4.23Å; F99-F140 HydrophobicContact CZ-CD1 4.2Å; F99-F140 AromaticContact CZ-CD2 3.94Å; F99-F140 HydrophobicContact CZ-CD2 3.94Å; F99-F140 HydrophobicContact CZ-CE2 4.35Å; F99-F140 AromaticContact CZ-CG 3.86Å; F99-F140 HydrophobicContact CZ-CG 3.86Å
100	L	95	Very high	87.7	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	145	175.2	-66.7	176.1	0	0	0	110.8	A60 F61 Y62 I98 G102 F112 I148 L159	A60-L100 HydrophobicContact CB-CD1 4.28Å; A60-L100 HydrophobicContact CB-CG 4.24Å; F61-L100 PolarHBondContact O-N 3.13Å; Y62-L100 HydrophobicContact CD2-CB 4.23Å; I98-L100 HydrophobicContact CG2-CD2 4.15Å; L100-G102 PolarHBondContact O-N 3.11Å; L100-F112 HydrophobicContact CB-CD1 3.96Å; L100-F112 HydrophobicContact CB-CE1 3.73Å; L100-F112 HydrophobicContact CB-CZ 4.38Å; L100-F112 HydrophobicContact CD1-CD1 4.03Å; L100-F112 HydrophobicContact CD1-CD2 4.07Å; L100-F112 HydrophobicContact CD1-CE1 3.98Å; L100-F112 HydrophobicContact CD1-CE2 4.04Å; L100-F112 HydrophobicContact CD1-CG 4.07Å; L100-F112 HydrophobicContact CD1-CZ 4Å; L100-F112 HydrophobicContact CD2-CD1 4.16Å; L100-F112 HydrophobicContact CD2-CG 4.36Å; L100-F112 HydrophobicContact CG-CD1 4.29Å; L100-F112 HydrophobicContact CG-CE1 4.36Å; L100-I148 HydrophobicContact CD2-CD1 3.71Å; L100-I148 HydrophobicContact CD2-CG1 3.75Å; L100-L159 HydrophobicContact CD1-CD2 3.6Å
101	P	93.6	Very high	87.7	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.019	28%	0.283	C	S	.	.			trans	-76.1	115.5	-175.2	30.3	-34	0	0	0	111.6	V67 Y103 H106 C115 V116	V67-P101 HydrophobicContact CG2-CB 4.34Å; P101-Y103 HydrophobicContact CB-CD1 3.8Å; P101-Y103 HydrophobicContact CB-CE1 3.79Å; P101-Y103 HydrophobicContact CG-CE1 4.11Å; P101-Y103 PolarHBondContact O-N 2.88Å; P101-H106 PolarHBondContact O-NE2 3.26Å; P101-C115 HydrophobicContact CG-CB 3.72Å; P101-V116 WeakPolarHBondContact CG-O 3.35Å
102	G	89.6	Confident	87.7	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.276	C	S	.	.			trans	-91.3	24.3	-175.8	0	0	0	0	0	116.4	R63 D65 V66 L100 Q104	R63-G102 WeakPolarHBondContact O-CA 3.2Å; D65-G102 WeakPolarHBondContact CA-O 3.49Å; D65-G102 PolarHBondContact N-O 3.25Å; V66-G102 WeakPolarHBondContact O-CA 3.48Å; V66-G102 PolarHBondContact O-N 3.08Å; L100-G102 PolarHBondContact O-N 3.11Å; G102-Q104 VanDerWaalsContact C-N 3.31Å; G102-Q104 PolarHBondContact O-N 2.67Å
103	Y	81.8	Confident	87.8	Confident	64 Å²	64	48.4 Å²	48.4	25%	0.251	26%	0.261	S	S	.	.	S	Bend	trans	-76.3	-14.2	-175.4	63.8	-98	0	0	0	115.1	V67 P101 G442 S446	V67-Y103 HydrophobicContact CG2-CD1 4.13Å; P101-Y103 HydrophobicContact CB-CD1 3.8Å; P101-Y103 HydrophobicContact CB-CE1 3.79Å; P101-Y103 HydrophobicContact CG-CE1 4.11Å; P101-Y103 PolarHBondContact O-N 2.88Å; Y103-G442 WeakPolarHBondContact CB-O 3.37Å; Y103-S446 VanDerWaalsContact CD1-CB 3.47Å; Y103-S446 VanDerWaalsContact CE1-CB 3.4Å; Y103-S446 VanDerWaalsContact CE1-OG 3.27Å; Y103-S446 WeakPolarHBondContact CE1-OG 3.37Å
104	Q	79.1	Confident	88.1	Confident	86 Å²	86	47.2 Å²	47.2	40%	0.402	27%	0.268	S	S	.	.	S	Bend	trans	-133.6	158.5	176.7	65.5	-175.7	24.7	0	0	109.6	Y62 G102 H106	Y62-Q104 PolarHBondContact OH-O 3.22Å; G102-Q104 VanDerWaalsContact C-N 3.31Å; G102-Q104 PolarHBondContact O-N 2.67Å; Q104-H106 WeakPolarHBondContact CG-CE1 3.35Å; Q104-H106 PolarHBondContact NE2-CE1 3.13Å; Q104-H106 PolarHBondContact NE2-ND1 2.71Å; Q104-H106 VanDerWaalsContact NE2-ND1 3.16Å; Q104-H106 PolarHBondContact O-CD2 3.04Å; Q104-H106 VanDerWaalsContact O-CD2 3.27Å; Q104-H106 PolarHBondContact O-N 3.04Å
105	D	76.9	Confident	88.3	Confident	104 Å²	104	43.4 Å²	43.4	56%	0.556	25%	0.253	S	S	*	.			trans	-73.3	96.1	171.1	-71.5	-35.5	0	0	0	108.2	K64 V107	K64-D105 WeakPolarHBondContact CD-OD1 3.3Å; K64-D105 VanDerWaalsContact CE-OD1 3.24Å; K64-D105 WeakPolarHBondContact CE-OD1 3.27Å; K64-D105 VanDerWaalsContact NZ-CG 3.29Å; K64-D105 IonicContact NZ-OD1 2.93Å; K64-D105 PolarHBondContact NZ-OD1 2.82Å; K64-D105 IonicContact NZ-OD2 2.66Å; K64-D105 PolarHBondContact NZ-OD2 3.31Å; D105-V107 PolarHBondContact O-N 2.72Å
106	H	76.5	Confident	88.7	Confident	22 Å²	22	38.7 Å²	38.7	10%	0.102	23%	0.233	C	C	.	.			trans	-78.1	107.4	173.6	-62.9	-80.2	0	0	0	108	Y62 P101 Q104 D111 F112	Y62-H106 AromaticContact CE2-CD2 3.8Å; P101-H106 PolarHBondContact O-NE2 3.26Å; Q104-H106 WeakPolarHBondContact CG-CE1 3.35Å; Q104-H106 PolarHBondContact NE2-CE1 3.13Å; Q104-H106 PolarHBondContact NE2-ND1 2.71Å; Q104-H106 VanDerWaalsContact NE2-ND1 3.16Å; Q104-H106 PolarHBondContact O-CD2 3.04Å; Q104-H106 VanDerWaalsContact O-CD2 3.27Å; Q104-H106 PolarHBondContact O-N 3.04Å; H106-D111 HydrophobicContact CB-CB 4Å; H106-D111 WeakPolarHBondContact ND1-CB 3.5Å; H106-F112 HydrophobicContact CB-CE1 4.06Å; H106-F112 HydrophobicContact CB-CE2 3.93Å; H106-F112 HydrophobicContact CB-CZ 3.63Å; H106-F112 AromaticContact CD2-CD1 3.91Å; H106-F112 AromaticContact CD2-CE1 3.18Å; H106-F112 WeakPolarHBondContact CD2-CE1 3.43Å; H106-F112 AromaticContact CD2-CZ 3.58Å; H106-F112 AromaticContact CE1-CD1 3.93Å; H106-F112 AromaticContact CE1-CE1 3.98Å; H106-F112 AromaticContact CG-CE1 3.56Å; H106-F112 AromaticContact CG-CZ 3.68Å; H106-F112 AromaticContact NE2-CD1 3.82Å; H106-F112 AromaticContact NE2-CE1 3.47Å; H106-F112 WeakPolarHBondContact NE2-CE1 3.42Å
107	V	74.3	Confident	88.9	Confident	138 Å²	138	38.2 Å²	38.2	84%	0.836	23%	0.23	S	C	*	.			trans	-75.8	-33.4	-177.9	-177.7	0	0	0	0	109.9	D105 D111	D105-V107 PolarHBondContact O-N 2.72Å; V107-D111 PolarHBondContact N-OD2 3.12Å
108	S	87.6	Confident	89.1	Confident	53 Å²	53	38.2 Å²	38.2	37%	0.371	23%	0.231	S	C	.	.	S	Bend	trans	-123.1	154.5	-178.2	95.1	0	0	0	0	112.3	G110 D111	S108-G110 PolarHBondContact O-N 3.3Å; S108-G110 PolarHBondContact OG-N 3.28Å; S108-G110 VanDerWaalsContact OG-N 3.11Å; S108-D111 PolarHBondContact N-OD2 3.02Å; S108-D111 WeakPolarHBondContact O-CB 3.37Å; S108-D111 PolarHBondContact O-N 3.1Å; S108-D111 VanDerWaalsContact O-N 3.13Å; S108-D111 VanDerWaalsContact OG-CG 3.29Å; S108-D111 PolarHBondContact OG-N 3.3Å; S108-D111 PolarHBondContact OG-OD1 3.2Å
109	L	86.8	Confident	89.1	Confident	54 Å²	54	38.4 Å²	38.4	28%	0.283	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-62.9	-23.8	170.7	-67.1	-179.3	0	0	0	112.5	D111 F112 A151 R153 L159	L109-D111 PolarHBondContact O-N 3.35Å; L109-F112 HydrophobicContact CD2-CE2 4.36Å; L109-F112 PolarHBondContact O-N 3.37Å; L109-A151 HydrophobicContact CB-CB 4.18Å; L109-R153 HydrophobicContact CD1-CB 3.77Å; L109-L159 HydrophobicContact CD1-CD1 4.39Å; L109-L159 HydrophobicContact CD2-CD1 3.6Å
110	G	88.4	Confident	89.2	Confident	45 Å²	45	38 Å²	38	46%	0.464	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-67.5	-24.9	175.9	0	0	0	0	0	112.9	S108 F112 V113	S108-G110 PolarHBondContact O-N 3.3Å; S108-G110 PolarHBondContact OG-N 3.28Å; S108-G110 VanDerWaalsContact OG-N 3.11Å; G110-F112 PolarHBondContact O-N 2.86Å; G110-V113 WeakPolarHBondContact O-CB 3.15Å; G110-V113 WeakPolarHBondContact O-CG2 3.45Å; G110-V113 PolarHBondContact O-N 2.91Å
111	D	90.8	Very high	89.1	Confident	60 Å²	60	38.1 Å²	38.1	32%	0.321	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-67.4	-20.3	-177.9	-54.4	-10.2	0	0	0	111.9	H106 V107 S108 L109 C115	H106-D111 HydrophobicContact CB-CB 4Å; H106-D111 WeakPolarHBondContact ND1-CB 3.5Å; V107-D111 PolarHBondContact N-OD2 3.12Å; S108-D111 PolarHBondContact N-OD2 3.02Å; S108-D111 WeakPolarHBondContact O-CB 3.37Å; S108-D111 PolarHBondContact O-N 3.1Å; S108-D111 VanDerWaalsContact O-N 3.13Å; S108-D111 VanDerWaalsContact OG-CG 3.29Å; S108-D111 PolarHBondContact OG-N 3.3Å; S108-D111 PolarHBondContact OG-OD1 3.2Å; L109-D111 PolarHBondContact O-N 3.35Å; D111-C115 PolarHBondContact O-SG 2.96Å; D111-C115 VanDerWaalsContact O-SG 3.41Å
112	F	91.9	Very high	89.2	Confident	8 Å²	8	38.3 Å²	38.3	4%	0.035	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-78.3	-16.6	175	-65.1	-69.9	0	0	0	113.6	Y62 L100 H106 L109 G110 G114 C115 I148	Y62-F112 AromaticContact CD2-CE1 3.68Å; Y62-F112 HydrophobicContact CD2-CE1 3.68Å; Y62-F112 AromaticContact CD2-CZ 3.45Å; Y62-F112 HydrophobicContact CD2-CZ 3.45Å; Y62-F112 VanDerWaalsContact CD2-CZ 3.45Å; Y62-F112 AromaticContact CE2-CE1 3.86Å; Y62-F112 HydrophobicContact CE2-CE1 3.86Å; Y62-F112 AromaticContact CE2-CZ 3.67Å; Y62-F112 HydrophobicContact CE2-CZ 3.67Å; Y62-F112 HydrophobicContact CG-CZ 4.06Å; L100-F112 HydrophobicContact CB-CD1 3.96Å; L100-F112 HydrophobicContact CB-CE1 3.73Å; L100-F112 HydrophobicContact CB-CZ 4.38Å; L100-F112 HydrophobicContact CD1-CD1 4.03Å; L100-F112 HydrophobicContact CD1-CD2 4.07Å; L100-F112 HydrophobicContact CD1-CE1 3.98Å; L100-F112 HydrophobicContact CD1-CE2 4.04Å; L100-F112 HydrophobicContact CD1-CG 4.07Å; L100-F112 HydrophobicContact CD1-CZ 4Å; L100-F112 HydrophobicContact CD2-CD1 4.16Å; L100-F112 HydrophobicContact CD2-CG 4.36Å; L100-F112 HydrophobicContact CG-CD1 4.29Å; L100-F112 HydrophobicContact CG-CE1 4.36Å; H106-F112 HydrophobicContact CB-CE1 4.06Å; H106-F112 HydrophobicContact CB-CE2 3.93Å; H106-F112 HydrophobicContact CB-CZ 3.63Å; H106-F112 AromaticContact CD2-CD1 3.91Å; H106-F112 AromaticContact CD2-CE1 3.18Å; H106-F112 WeakPolarHBondContact CD2-CE1 3.43Å; H106-F112 AromaticContact CD2-CZ 3.58Å; H106-F112 AromaticContact CE1-CD1 3.93Å; H106-F112 AromaticContact CE1-CE1 3.98Å; H106-F112 AromaticContact CG-CE1 3.56Å; H106-F112 AromaticContact CG-CZ 3.68Å; H106-F112 AromaticContact NE2-CD1 3.82Å; H106-F112 AromaticContact NE2-CE1 3.47Å; H106-F112 WeakPolarHBondContact NE2-CE1 3.42Å; L109-F112 HydrophobicContact CD2-CE2 4.36Å; L109-F112 PolarHBondContact O-N 3.37Å; G110-F112 PolarHBondContact O-N 2.86Å; F112-G114 PolarHBondContact O-N 3.08Å; F112-C115 VanDerWaalsContact O-CB 3.22Å; F112-C115 WeakPolarHBondContact O-CB 3.37Å; F112-C115 PolarHBondContact O-N 2.91Å; F112-I148 HydrophobicContact CB-CG2 4.29Å; F112-I148 WeakPolarHBondContact O-CB 3.19Å
113	V	93.4	Very high	89.3	Confident	80 Å²	80	40.4 Å²	40.4	49%	0.485	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	126.9	-176.6	178.5	0	0	0	0	109.7	G110 C115	G110-V113 WeakPolarHBondContact O-CB 3.15Å; G110-V113 WeakPolarHBondContact O-CG2 3.45Å; G110-V113 PolarHBondContact O-N 2.91Å; V113-C115 VanDerWaalsContact C-N 3.27Å; V113-C115 PolarHBondContact O-N 2.75Å
114	G	93.2	Very high	89.9	Confident	46 Å²	46	37.8 Å²	37.8	47%	0.474	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	-15.8	-174.5	0	0	0	0	0	114.4	F112 I148	F112-G114 PolarHBondContact O-N 3.08Å; G114-I148 PolarHBondContact N-O 3.46Å
115	C	94.3	Very high	90.6	Very high	15 Å²	15	34 Å²	34	10%	0.101	22%	0.218	C	C	.	.			trans	-67	155.8	173.8	-64.3	0	0	0	0	111.5	P101 D111 F112 V113 I148	P101-C115 HydrophobicContact CG-CB 3.72Å; D111-C115 PolarHBondContact O-SG 2.96Å; D111-C115 VanDerWaalsContact O-SG 3.41Å; F112-C115 VanDerWaalsContact O-CB 3.22Å; F112-C115 WeakPolarHBondContact O-CB 3.37Å; F112-C115 PolarHBondContact O-N 2.91Å; V113-C115 VanDerWaalsContact C-N 3.27Å; V113-C115 PolarHBondContact O-N 2.75Å; C115-I148 PolarHBondContact O-N 2.63Å
116	V	95.2	Very high	91.4	Very high	11 Å²	11	29.4 Å²	29.4	7%	0.067	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	114	176.2	179.9	0	0	0	0	108.8	P101 R145 I146 L166 L449	P101-V116 WeakPolarHBondContact CG-O 3.35Å; V116-R145 HydrophobicContact CG1-CB 4.08Å; V116-I146 CarbonylContact C-O 3.53Å; V116-I146 WeakPolarHBondContact CA-O 3.2Å; V116-L166 HydrophobicContact CG1-CD1 3.92Å; V116-L166 HydrophobicContact CG2-CD1 3.96Å; V116-L449 HydrophobicContact CG1-CD2 4.34Å; V116-L449 HydrophobicContact CG1-CG 4.3Å
117	G	95.7	Very high	92.1	Very high	2 Å²	2	32.1 Å²	32.1	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	-174.6	168.6	0	0	0	0	0	111.6	F99 I146	F99-G117 VanDerWaalsContact O-CA 3.23Å; F99-G117 WeakPolarHBondContact O-CA 3.46Å; G117-I146 PolarHBondContact N-O 2.78Å; G117-I146 PolarHBondContact O-N 3.43Å
118	T	96.8	Very high	92.6	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	125.8	179.1	-63.2	0	0	0	0	109.5	L68 P70 F99 Q144	L68-T118 HydrophobicContact CB-CG2 4.5Å; L68-T118 HydrophobicContact CD2-CG2 4.24Å; L68-T118 HydrophobicContact CG-CG2 4.06Å; L68-T118 VanDerWaalsContact O-CB 3.3Å; L68-T118 WeakPolarHBondContact O-CB 3.18Å; L68-T118 PolarHBondContact O-OG1 3.36Å; P70-T118 HydrophobicContact CG-CG2 4.3Å; F99-T118 PolarHBondContact N-O 3.3Å; F99-T118 PolarHBondContact O-N 2.85Å; T118-Q144 WeakPolarHBondContact CA-O 3.49Å
119	T	96.1	Very high	92.4	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.018	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	143.8	167	56.5	0	0	0	0	109.2	M58 L97 I98 G142 R143 Q144 I146 I165	M58-T119 HydrophobicContact CE-CG2 4.29Å; M58-T119 HydrophobicContact SD-CG2 4.27Å; L97-T119 CarbonylContact O-C 3.55Å; L97-T119 WeakPolarHBondContact O-CA 3.17Å; I98-T119 HydrophobicContact CG1-CG2 4.37Å; T119-G142 CarbonylContact O-C 3.53Å; T119-R143 PolarHBondContact O-N 3.41Å; T119-Q144 PolarHBondContact N-O 2.99Å; T119-Q144 WeakPolarHBondContact OG1-CA 3.47Å; T119-Q144 WeakPolarHBondContact OG1-CB 3.43Å; T119-Q144 PolarHBondContact OG1-N 3.49Å; T119-Q144 PolarHBondContact OG1-O 3.4Å; T119-I146 HydrophobicContact CG2-CB 4.44Å; T119-I146 HydrophobicContact CG2-CG2 4.3Å; T119-I165 HydrophobicContact CG2-CD1 4.06Å
120	A	95.4	Very high	91.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	138.2	-179.4	0	0	0	0	0	111.4	L68 P96 L97 F99 F140 I141	L68-A120 HydrophobicContact CD2-CB 3.61Å; P96-A120 WeakPolarHBondContact CA-O 3.49Å; L97-A120 PolarHBondContact N-O 3.43Å; L97-A120 PolarHBondContact O-N 3.2Å; F99-A120 HydrophobicContact CD2-CB 3.48Å; F99-A120 VanDerWaalsContact CD2-CB 3.48Å; F99-A120 HydrophobicContact CE2-CB 3.55Å; A120-F140 HydrophobicContact CB-CB 4.2Å; A120-F140 HydrophobicContact CB-CD1 4.1Å; A120-I141 WeakPolarHBondContact CA-O 3.41Å; A120-I141 WeakPolarHBondContact CB-O 3.16Å
121	D	94.3	Very high	91	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.027	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	137.5	172.2	-66.6	-31.4	0	0	0	109.3	V123 F140 I141 R143	D121-V123 PolarHBondContact O-N 2.75Å; D121-F140 CarbonylContact O-C 3.55Å; D121-F140 VanDerWaalsContact O-CA 3.26Å; D121-F140 WeakPolarHBondContact O-CA 3.44Å; D121-I141 HydrophobicContact CB-CG2 4.26Å; D121-I141 PolarHBondContact N-O 3.49Å; D121-I141 VanDerWaalsContact N-O 3.08Å; D121-I141 PolarHBondContact O-N 2.87Å; D121-R143 IonicContact OD2-CZ 3.71Å; D121-R143 IonicContact OD2-NE 3.58Å; D121-R143 PolarHBondContact OD2-NE 2.87Å; D121-R143 IonicContact OD2-NH2 3.38Å; D121-R143 PolarHBondContact OD2-NH2 3.31Å
122	L	94.6	Very high	90.2	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.037	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	115.5	163.4	178.4	66.8	0	0	0	107.7	V44 I90 N91 A124 I125 A138 F140	V44-L122 HydrophobicContact CB-CG 4.21Å; V44-L122 WeakPolarHBondContact CB-O 3.12Å; V44-L122 HydrophobicContact CG1-CB 4.39Å; V44-L122 HydrophobicContact CG1-CD2 4.27Å; V44-L122 HydrophobicContact CG1-CG 4.23Å; V44-L122 VanDerWaalsContact CG1-O 3.26Å; V44-L122 WeakPolarHBondContact CG1-O 3.1Å; V44-L122 HydrophobicContact CG2-CD2 3.97Å; V44-L122 HydrophobicContact CG2-CG 4Å; I90-L122 HydrophobicContact CG2-CB 4.29Å; I90-L122 HydrophobicContact CG2-CD2 4.34Å; N91-L122 HydrophobicContact CB-CD2 3.8Å; L122-A124 WeakPolarHBondContact CD1-O 3.39Å; L122-I125 HydrophobicContact CD1-CB 4.32Å; L122-I125 HydrophobicContact CD2-CB 4.31Å; L122-I125 HydrophobicContact CD2-CD1 4.14Å; L122-A138 HydrophobicContact CD1-CB 3.74Å; L122-F140 HydrophobicContact CB-CD1 4.23Å; L122-F140 HydrophobicContact CB-CE1 3.81Å; L122-F140 HydrophobicContact CB-CZ 4.25Å; L122-F140 HydrophobicContact CD1-CD2 4.39Å; L122-F140 HydrophobicContact CD1-CE1 4.2Å; L122-F140 HydrophobicContact CD1-CE2 3.96Å; L122-F140 HydrophobicContact CD1-CZ 3.86Å
123	V	92.6	Very high	89.5	Confident	44 Å²	44	49 Å²	49	27%	0.267	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-28.8	-177.2	-65.7	0	0	0	0	113	V44 D121 M139 I141	V44-V123 PolarHBondContact N-O 3.4Å; D121-V123 PolarHBondContact O-N 2.75Å; V123-M139 HydrophobicContact CG2-CB 3.87Å; V123-M139 HydrophobicContact CG2-CG 3.63Å; V123-M139 WeakPolarHBondContact CG2-O 3.41Å; V123-M139 PolarHBondContact N-O 3.18Å; V123-I141 HydrophobicContact CG1-CB 3.99Å; V123-I141 HydrophobicContact CG1-CG2 3.4Å; V123-I141 VanDerWaalsContact CG1-CG2 3.4Å
124	A	93.3	Very high	89.1	Confident	10 Å²	10	47 Å²	47	8%	0.083	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	147.7	177	0	0	0	0	0	110.3	F41 V42 L122 M139	F41-A124 HydrophobicContact CB-CB 4.14Å; F41-A124 HydrophobicContact CD1-CB 3.8Å; F41-A124 HydrophobicContact CG-CB 4.35Å; V42-A124 VanDerWaalsContact O-CA 3.3Å; V42-A124 WeakPolarHBondContact O-CA 3.44Å; L122-A124 WeakPolarHBondContact CD1-O 3.39Å; A124-M139 HydrophobicContact CB-CB 4.19Å; A124-M139 PolarHBondContact N-O 2.91Å; A124-M139 PolarHBondContact O-N 2.82Å
125	I	94	Very high	88.8	Confident	6 Å²	6	47.7 Å²	47.7	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	142.5	177.3	-163.7	171.1	0	0	0	110.8	V42 V44 N91 L122 I127 I136 R137 A138	V42-I125 PolarHBondContact N-O 3.25Å; V42-I125 PolarHBondContact O-N 3.03Å; V44-I125 HydrophobicContact CG2-CB 4.3Å; V44-I125 HydrophobicContact CG2-CG2 3.7Å; N91-I125 HydrophobicContact CB-CD1 4.09Å; L122-I125 HydrophobicContact CD1-CB 4.32Å; L122-I125 HydrophobicContact CD2-CB 4.31Å; L122-I125 HydrophobicContact CD2-CD1 4.14Å; I125-I127 HydrophobicContact CD1-CD1 4.21Å; I125-I127 HydrophobicContact CD1-CG1 4.09Å; I125-I127 HydrophobicContact CG1-CG1 4.15Å; I125-I136 HydrophobicContact CD1-CG2 3.93Å; I125-I136 HydrophobicContact CG1-CG2 3.97Å; I125-R137 CarbonylContact C-O 3.58Å; I125-R137 WeakPolarHBondContact CA-O 3.35Å; I125-R137 WeakPolarHBondContact CG1-O 3.41Å; I125-A138 HydrophobicContact CG1-CB 4.32Å
126	C	93.4	Very high	88.7	Confident	7 Å²	7	47.6 Å²	47.6	5%	0.047	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	117.3	169.5	-178.7	0	0	0	0	107.6	D40 F41 I136 R137	D40-C126 WeakPolarHBondContact O-CB 3.24Å; D40-C126 PolarHBondContact O-SG 2.87Å; F41-C126 HydrophobicContact CD1-CB 4.24Å; F41-C126 HydrophobicContact CE1-CB 4.37Å; F41-C126 HydrophobicContact CG-CB 4.36Å; C126-I136 WeakPolarHBondContact O-CA 3.49Å; C126-R137 HydrophobicContact CB-CB 4.3Å; C126-R137 PolarHBondContact N-O 3.5Å; C126-R137 PolarHBondContact O-N 2.85Å; C126-R137 PolarHBondContact SG-NH2 2.93Å
127	I	91.1	Very high	88.6	Confident	80 Å²	80	49 Å²	49	41%	0.41	28%	0.278	S	S	.	.			trans	-110.6	113.9	173.9	-61.1	170	0	0	0	105.5	I125 I136	I125-I127 HydrophobicContact CD1-CD1 4.21Å; I125-I127 HydrophobicContact CD1-CG1 4.09Å; I125-I127 HydrophobicContact CG1-CG1 4.15Å; I127-I136 HydrophobicContact CG1-CG1 4.39Å; I127-I136 HydrophobicContact CG1-CG2 4.31Å; I127-I136 HydrophobicContact CG2-CG1 4.45Å
128	P	86.3	Confident	88.5	Confident	23 Å²	23	49 Å²	49	15%	0.149	28%	0.277	C	S	.	.			trans	-68.1	150.9	-179.4	22.5	-25.2	0	0	0	111.3	E132 A134	P128-E132 HydrophobicContact CB-CB 4.14Å; P128-A134 HydrophobicContact CB-CB 3.84Å; P128-A134 HydrophobicContact CG-CB 3.9Å; P128-A134 WeakPolarHBondContact CG-O 3.47Å
129	D	82.6	Confident	88.4	Confident	120 Å²	120	50 Å²	50	64%	0.642	28%	0.282	S	S	*	.			trans	-64.7	153.9	174.5	-75.5	-28.4	0	0	0	110.5	N131 E132	D129-N131 PolarHBondContact O-N 3.13Å; D129-E132 PolarHBondContact O-N 2.86Å
130	S	73.2	Confident	88.4	Confident	122 Å²	122	49.8 Å²	49.8	85%	0.853	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-17.4	-176.3	59.1	0	0	0	0	115.1
131	N	72.5	Confident	88.3	Confident	153 Å²	153	51.2 Å²	51.2	82%	0.818	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-14.6	179.8	-61.6	-18.7	0	0	0	112.8	D129	D129-N131 PolarHBondContact O-N 3.13Å
132	E	74.2	Confident	88.3	Confident	115 Å²	115	51 Å²	51	54%	0.537	29%	0.287	S	S	.	.	S	Bend	trans	-97.4	120.2	-179.8	-64.3	-170.1	165.5	0	0	109.8	P128 D129 A134	P128-E132 HydrophobicContact CB-CB 4.14Å; D129-E132 PolarHBondContact O-N 2.86Å; E132-A134 PolarHBondContact O-N 3.31Å
133	N	78.2	Confident	88.3	Confident	178 Å²	178	53.3 Å²	53.3	95%	0.952	30%	0.295	S	S	*	.			trans	-79.1	62.6	174.6	-168.8	36	0	0	0	110.6
134	A	83.2	Confident	88.4	Confident	39 Å²	39	51.9 Å²	51.9	32%	0.322	29%	0.286	S	S	.	.			trans	-120.1	151.4	177.4	0	0	0	0	0	110.2	P128 E132	P128-A134 HydrophobicContact CB-CB 3.84Å; P128-A134 HydrophobicContact CG-CB 3.9Å; P128-A134 WeakPolarHBondContact CG-O 3.47Å; E132-A134 PolarHBondContact O-N 3.31Å
135	P	87.9	Confident	88.6	Confident	61 Å²	61	51.5 Å²	51.5	40%	0.396	28%	0.282	S	S	.	.			trans	-81.4	159.4	174.4	33.9	-35	0	0	0	111.4	I77	I77-P135 HydrophobicContact CG2-CB 3.79Å; I77-P135 HydrophobicContact CG2-CG 3.79Å
136	I	92	Very high	88.7	Confident	12 Å²	12	51.2 Å²	51.2	6%	0.062	28%	0.281	C	S	.	.			trans	-61.1	138.4	167.2	-62.3	175.4	0	0	0	108.8	P78 L87 Q88 I125 C126 I127	P78-I136 WeakPolarHBondContact CD-O 3.48Å; P78-I136 HydrophobicContact CG-CB 4.24Å; L87-I136 HydrophobicContact CD1-CG2 4.16Å; Q88-I136 HydrophobicContact CG-CD1 3.82Å; I125-I136 HydrophobicContact CD1-CG2 3.93Å; I125-I136 HydrophobicContact CG1-CG2 3.97Å; C126-I136 WeakPolarHBondContact O-CA 3.49Å; I127-I136 HydrophobicContact CG1-CG1 4.39Å; I127-I136 HydrophobicContact CG1-CG2 4.31Å; I127-I136 HydrophobicContact CG2-CG1 4.45Å
137	R	93.7	Very high	88.9	Confident	42 Å²	42	55.4 Å²	55.4	16%	0.158	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129.1	174.5	-61.7	166.7	-73.6	-163.4	-3.8	108.7	L37 F41 I77 I125 C126	L37-R137 VanDerWaalsContact O-CD 3.23Å; L37-R137 WeakPolarHBondContact O-CD 3.39Å; L37-R137 PolarHBondContact O-NE 2.96Å; L37-R137 PolarHBondContact O-NH1 3.29Å; F41-R137 HydrophobicContact CE1-CB 4.06Å; F41-R137 HydrophobicContact CZ-CB 3.7Å; I77-R137 HydrophobicContact CG1-CG 4.11Å; I125-R137 CarbonylContact C-O 3.58Å; I125-R137 WeakPolarHBondContact CA-O 3.35Å; I125-R137 WeakPolarHBondContact CG1-O 3.41Å; C126-R137 HydrophobicContact CB-CB 4.3Å; C126-R137 PolarHBondContact N-O 3.5Å; C126-R137 PolarHBondContact O-N 2.85Å; C126-R137 PolarHBondContact SG-NH2 2.93Å
138	A	94.3	Very high	89.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	149.3	-177.6	0	0	0	0	0	111	P75 L76 L87 L122 I125 F140	P75-A138 CarbonylContact C-O 3.43Å; P75-A138 WeakPolarHBondContact CA-O 3.49Å; L76-A138 HydrophobicContact CB-CB 4.46Å; L76-A138 PolarHBondContact N-O 2.89Å; L76-A138 PolarHBondContact O-N 2.81Å; L87-A138 HydrophobicContact CD1-CB 4.18Å; L87-A138 HydrophobicContact CD2-CB 4.2Å; L122-A138 HydrophobicContact CD1-CB 3.74Å; I125-A138 HydrophobicContact CG1-CB 4.32Å; A138-F140 HydrophobicContact CB-CD2 4.37Å; A138-F140 HydrophobicContact CB-CE2 3.84Å
139	M	94.3	Very high	89.6	Confident	22 Å²	22	53.8 Å²	53.8	11%	0.108	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	124.5	172.4	-171.6	60.9	64.1	0	0	109	H34 L37 P75 V123 A124	H34-M139 HydrophobicContact CB-CE 3.81Å; H34-M139 WeakPolarHBondContact CD2-CE 3.4Å; L37-M139 HydrophobicContact CD1-CE 4.31Å; P75-M139 HydrophobicContact CB-CE 3.81Å; P75-M139 HydrophobicContact CB-SD 4.33Å; V123-M139 HydrophobicContact CG2-CB 3.87Å; V123-M139 HydrophobicContact CG2-CG 3.63Å; V123-M139 WeakPolarHBondContact CG2-O 3.41Å; V123-M139 PolarHBondContact N-O 3.18Å; A124-M139 HydrophobicContact CB-CB 4.19Å; A124-M139 PolarHBondContact N-O 2.91Å; A124-M139 PolarHBondContact O-N 2.82Å
140	F	94.6	Very high	90.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	156.4	175.5	-73.4	-92.2	0	0	0	110.9	S73 L74 L76 L87 L97 F99 A120 D121 L122 A138	S73-F140 CarbonylContact C-O 3.43Å; S73-F140 WeakPolarHBondContact CA-O 3.41Å; L74-F140 HydrophobicContact CB-CB 4.46Å; L74-F140 PolarHBondContact N-O 2.83Å; L74-F140 PolarHBondContact O-N 2.77Å; L76-F140 HydrophobicContact CD2-CE2 4.1Å; L87-F140 HydrophobicContact CD2-CE2 3.69Å; L87-F140 HydrophobicContact CD2-CZ 3.61Å; L97-F140 HydrophobicContact CB-CE1 4.11Å; L97-F140 HydrophobicContact CD2-CE1 3.78Å; L97-F140 HydrophobicContact CD2-CZ 3.8Å; F99-F140 HydrophobicContact CE2-CB 4.1Å; F99-F140 AromaticContact CE2-CD1 3.8Å; F99-F140 HydrophobicContact CE2-CD1 3.8Å; F99-F140 HydrophobicContact CE2-CD2 4.36Å; F99-F140 HydrophobicContact CE2-CE1 4.3Å; F99-F140 AromaticContact CE2-CG 3.82Å; F99-F140 HydrophobicContact CE2-CG 3.82Å; F99-F140 HydrophobicContact CZ-CB 4.23Å; F99-F140 HydrophobicContact CZ-CD1 4.2Å; F99-F140 AromaticContact CZ-CD2 3.94Å; F99-F140 HydrophobicContact CZ-CD2 3.94Å; F99-F140 HydrophobicContact CZ-CE2 4.35Å; F99-F140 AromaticContact CZ-CG 3.86Å; F99-F140 HydrophobicContact CZ-CG 3.86Å; A120-F140 HydrophobicContact CB-CB 4.2Å; A120-F140 HydrophobicContact CB-CD1 4.1Å; D121-F140 CarbonylContact O-C 3.55Å; D121-F140 VanDerWaalsContact O-CA 3.26Å; D121-F140 WeakPolarHBondContact O-CA 3.44Å; L122-F140 HydrophobicContact CB-CD1 4.23Å; L122-F140 HydrophobicContact CB-CE1 3.81Å; L122-F140 HydrophobicContact CB-CZ 4.25Å; L122-F140 HydrophobicContact CD1-CD2 4.39Å; L122-F140 HydrophobicContact CD1-CE1 4.2Å; L122-F140 HydrophobicContact CD1-CE2 3.96Å; L122-F140 HydrophobicContact CD1-CZ 3.86Å; A138-F140 HydrophobicContact CB-CD2 4.37Å; A138-F140 HydrophobicContact CB-CE2 3.84Å
141	I	94.1	Very high	91.1	Very high	29 Å²	29	48.5 Å²	48.5	15%	0.149	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	129.1	166.9	-165.4	171	0	0	0	110.3	H72 A120 D121 V123	H72-I141 WeakPolarHBondContact O-CA 3.43Å; A120-I141 WeakPolarHBondContact CA-O 3.41Å; A120-I141 WeakPolarHBondContact CB-O 3.16Å; D121-I141 HydrophobicContact CB-CG2 4.26Å; D121-I141 PolarHBondContact N-O 3.49Å; D121-I141 VanDerWaalsContact N-O 3.08Å; D121-I141 PolarHBondContact O-N 2.87Å; V123-I141 HydrophobicContact CG1-CB 3.99Å; V123-I141 HydrophobicContact CG1-CG2 3.4Å; V123-I141 VanDerWaalsContact CG1-CG2 3.4Å
142	G	95.1	Very high	92	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	140.4	174.5	0	0	0	0	0	111.7	G71 H72 T119	G71-G142 PolarHBondContact N-O 2.83Å; H72-G142 PolarHBondContact O-N 2.85Å; T119-G142 CarbonylContact O-C 3.53Å
143	R	94.2	Very high	92.6	Very high	55 Å²	55	44.4 Å²	44.4	21%	0.208	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	-78.6	-175.5	-67.1	-59.5	-165	-166.9	-6.8	112.8	P70 T119 D121	P70-R143 WeakPolarHBondContact CB-O 3.44Å; T119-R143 PolarHBondContact O-N 3.41Å; D121-R143 IonicContact OD2-CZ 3.71Å; D121-R143 IonicContact OD2-NE 3.58Å; D121-R143 PolarHBondContact OD2-NE 2.87Å; D121-R143 IonicContact OD2-NH2 3.38Å; D121-R143 PolarHBondContact OD2-NH2 3.31Å
144	Q	95.2	Very high	92.5	Very high	14 Å²	14	40.1 Å²	40.1	7%	0.065	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	143.3	-172.5	-57.6	178.4	-80.2	0	0	110.2	F49 L50 T118 T119 I165	F49-Q144 HydrophobicContact CD2-CG 3.95Å; F49-Q144 HydrophobicContact CE2-CG 3.77Å; F49-Q144 VanDerWaalsContact CE2-NE2 3.28Å; F49-Q144 HydrophobicContact CZ-CG 4.47Å; L50-Q144 PolarHBondContact O-NE2 3.04Å; T118-Q144 WeakPolarHBondContact CA-O 3.49Å; T119-Q144 PolarHBondContact N-O 2.99Å; T119-Q144 WeakPolarHBondContact OG1-CA 3.47Å; T119-Q144 WeakPolarHBondContact OG1-CB 3.43Å; T119-Q144 PolarHBondContact OG1-N 3.49Å; T119-Q144 PolarHBondContact OG1-O 3.4Å; Q144-I165 HydrophobicContact CB-CG2 4.37Å
145	R	96.6	Very high	91.8	Very high	3 Å²	3	43.6 Å²	43.6	1%	0.011	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	142	173.8	-57.7	-176.2	-65.9	115.5	14.6	109.9	P70 V116 L166 P167 Y432 L449 D452	P70-R145 HydrophobicContact CG-CG 3.93Å; V116-R145 HydrophobicContact CG1-CB 4.08Å; R145-L166 HydrophobicContact CB-CB 4.11Å; R145-L166 HydrophobicContact CB-CD1 4.12Å; R145-L166 HydrophobicContact CB-CG 4.44Å; R145-L166 VanDerWaalsContact NH1-CD1 3.3Å; R145-L166 PolarHBondContact O-N 2.69Å; R145-P167 PolarHBondContact NH2-O 2.92Å; R145-Y432 VanDerWaalsContact CD-OH 3.32Å; R145-Y432 WeakPolarHBondContact CD-OH 3.46Å; R145-Y432 HydrophobicContact CG-CE1 4.43Å; R145-Y432 PolarHBondContact NE-OH 3.02Å; R145-L449 WeakPolarHBondContact CD-O 3.21Å; R145-L449 HydrophobicContact CG-CD1 4.09Å; R145-L449 HydrophobicContact CG-CG 4.27Å; R145-L449 PolarHBondContact NE-O 3.41Å; R145-L449 PolarHBondContact NH1-O 2.87Å; R145-D452 IonicContact CZ-OD1 2.62Å; R145-D452 VanDerWaalsContact CZ-OD1 3.25Å; R145-D452 IonicContact NH1-OD1 2.68Å; R145-D452 PolarHBondContact NH1-OD1 3.38Å; R145-D452 IonicContact NH2-OD1 3.04Å; R145-D452 PolarHBondContact NH2-OD1 3.45Å
146	I	96.8	Very high	90.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	131.4	179.2	-174.4	170	0	0	0	109.6	T56 I98 V116 G117 T119 I148 T164 I165	T56-I146 HydrophobicContact CG2-CD1 3.69Å; I98-I146 HydrophobicContact CD1-CD1 3.7Å; I98-I146 HydrophobicContact CG1-CD1 4.19Å; I98-I146 HydrophobicContact CG1-CG2 4.29Å; I98-I146 HydrophobicContact CG2-CG2 4Å; V116-I146 CarbonylContact C-O 3.53Å; V116-I146 WeakPolarHBondContact CA-O 3.2Å; G117-I146 PolarHBondContact N-O 2.78Å; G117-I146 PolarHBondContact O-N 3.43Å; T119-I146 HydrophobicContact CG2-CB 4.44Å; T119-I146 HydrophobicContact CG2-CG2 4.3Å; I146-I148 HydrophobicContact CG2-CD1 4.2Å; I146-T164 WeakPolarHBondContact CA-O 3.43Å; I146-I165 HydrophobicContact CB-CD1 4.19Å; I146-I165 HydrophobicContact CD1-CD1 4Å; I146-I165 HydrophobicContact CG1-CD1 4.18Å
147	R	97.2	Very high	89.7	Confident	95 Å²	95	49.7 Å²	49.7	36%	0.358	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	122.1	172.1	-177.8	173.7	-63.3	120.3	4.6	109.2	T149 G163 T164 L166	R147-T149 PolarHBondContact O-N 2.9Å; R147-G163 CarbonylContact O-C 3.43Å; R147-G163 WeakPolarHBondContact O-CA 3.44Å; R147-T164 PolarHBondContact N-O 3.28Å; R147-T164 PolarHBondContact O-N 3.18Å; R147-L166 HydrophobicContact CB-CD1 4.28Å; R147-L166 HydrophobicContact CB-CD2 3.83Å; R147-L166 HydrophobicContact CB-CG 4.24Å; R147-L166 VanDerWaalsContact CZ-CD2 3.48Å
148	I	96.3	Very high	88.9	Confident	1 Å²	1	49 Å²	49	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	126.3	-176.4	-50.8	-56.4	0	0	0	109.3	I98 L100 F112 G114 C115 I146 C161	I98-I148 HydrophobicContact CG2-CD1 3.89Å; L100-I148 HydrophobicContact CD2-CD1 3.71Å; L100-I148 HydrophobicContact CD2-CG1 3.75Å; F112-I148 HydrophobicContact CB-CG2 4.29Å; F112-I148 WeakPolarHBondContact O-CB 3.19Å; G114-I148 PolarHBondContact N-O 3.46Å; C115-I148 PolarHBondContact O-N 2.63Å; I146-I148 HydrophobicContact CG2-CD1 4.2Å; I148-C161 HydrophobicContact CD1-CB 4.29Å; I148-C161 HydrophobicContact CG2-CB 4.49Å
149	T	96.2	Very high	88.6	Confident	67 Å²	67	49.4 Å²	49.4	41%	0.411	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	-29.1	177	55.6	0	0	0	0	111.7	R147 H162	R147-T149 PolarHBondContact O-N 2.9Å; T149-H162 PolarHBondContact N-O 3.37Å; T149-H162 VanDerWaalsContact OG1-C 3.3Å; T149-H162 PolarHBondContact OG1-O 2.96Å; T149-H162 VanDerWaalsContact OG1-O 3.13Å
150	K	94.5	Very high	88.5	Confident	117 Å²	117	49.7 Å²	49.7	51%	0.509	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	140.2	178.5	-172.1	-177.1	-179	-174	0	110.3	T152 C161 H162	K150-T152 HydrophobicContact CD-CG2 4.24Å; K150-T152 HydrophobicContact CG-CG2 4.23Å; K150-C161 CarbonylContact O-C 3.53Å; K150-C161 WeakPolarHBondContact O-CA 3.47Å; K150-H162 HydrophobicContact CB-CB 4.1Å; K150-H162 PolarHBondContact N-O 2.57Å; K150-H162 PolarHBondContact O-N 3.01Å
151	A	93.1	Very high	88.4	Confident	14 Å²	14	49.7 Å²	49.7	12%	0.116	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132.7	168.9	0	0	0	0	0	109.8	L109	L109-A151 HydrophobicContact CB-CB 4.18Å
152	T	91.1	Very high	88.5	Confident	52 Å²	52	51.4 Å²	51.4	32%	0.319	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	141.9	178.1	52.6	0	0	0	0	109.6	K150 V160	K150-T152 HydrophobicContact CD-CG2 4.24Å; K150-T152 HydrophobicContact CG-CG2 4.23Å; T152-V160 PolarHBondContact N-O 2.83Å; T152-V160 PolarHBondContact O-N 3.4Å; T152-V160 PolarHBondContact OG1-O 3.14Å
153	R	87.3	Confident	88.5	Confident	130 Å²	130	51.4 Å²	51.4	49%	0.491	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127.4	172.6	179.7	178.3	-74.8	-175.6	-5.6	108.2	L109 L159	L109-R153 HydrophobicContact CD1-CB 3.77Å; R153-L159 HydrophobicContact CB-CD1 4.26Å
154	D	74.4	Confident	88.7	Confident	88 Å²	88	50.4 Å²	50.4	47%	0.471	26%	0.259	S	S	.	.			trans	-86.4	155.5	168.6	-169.6	2.2	0	0	0	110	L156 Y157 P158	D154-L156 PolarHBondContact O-N 2.8Å; D154-L156 VanDerWaalsContact O-N 3.14Å; D154-Y157 PolarHBondContact O-N 3.23Å; D154-P158 HydrophobicContact CB-CG 4.11Å; D154-P158 PolarHBondContact N-O 2.89Å
155	S	69.4	Low	88.7	Confident	113 Å²	113	49.8 Å²	49.8	79%	0.79	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-29.1	173.9	57.7	0	0	0	0	114.4	Y157	S155-Y157 VanDerWaalsContact C-N 3.34Å
156	L	69.8	Low	88.6	Confident	141 Å²	141	50.1 Å²	50.1	74%	0.738	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	10.8	178.2	-67.1	168.2	0	0	0	114.1	D154 P158	D154-L156 PolarHBondContact O-N 2.8Å; D154-L156 VanDerWaalsContact O-N 3.14Å; L156-P158 WeakPolarHBondContact O-CD 3.25Å
157	Y	66.7	Low	88.4	Confident	59 Å²	59	52.6 Å²	52.6	23%	0.231	27%	0.274	C	S	.	.			trans	68.5	27.4	175.4	-154.4	-100.4	0	0	0	120	L82 E83 D154 S155 L159	L82-Y157 HydrophobicContact CB-CD1 3.21Å; L82-Y157 HydrophobicContact CB-CD2 4.46Å; L82-Y157 HydrophobicContact CB-CE1 3.76Å; L82-Y157 HydrophobicContact CB-CG 3.6Å; L82-Y157 HydrophobicContact CD1-CD1 4.03Å; L82-Y157 HydrophobicContact CD1-CD2 3.71Å; L82-Y157 HydrophobicContact CD1-CE2 4.25Å; L82-Y157 HydrophobicContact CD1-CG 3.57Å; L82-Y157 HydrophobicContact CD2-CG 4.41Å; L82-Y157 HydrophobicContact CG-CD1 4.15Å; L82-Y157 HydrophobicContact CG-CG 4.05Å; E83-Y157 HydrophobicContact CG-CE1 4.11Å; D154-Y157 PolarHBondContact O-N 3.23Å; S155-Y157 VanDerWaalsContact C-N 3.34Å; Y157-L159 PolarHBondContact O-N 3.16Å
158	P	75.5	Confident	87.9	Confident	28 Å²	28	51.1 Å²	51.1	18%	0.182	27%	0.271	C	S	.	.			trans	-82.3	107.6	151.9	28.8	-28.7	0	0	0	109	Y59 D154 L156 V160	Y59-P158 HydrophobicContact CD1-CB 3.56Å; Y59-P158 HydrophobicContact CE1-CB 3.38Å; Y59-P158 HydrophobicContact CE1-CG 4.41Å; D154-P158 HydrophobicContact CB-CG 4.11Å; D154-P158 PolarHBondContact N-O 2.89Å; L156-P158 WeakPolarHBondContact O-CD 3.25Å; P158-V160 HydrophobicContact CB-CG2 4.14Å; P158-V160 PolarHBondContact O-N 3.06Å
159	L	89.1	Confident	87.2	Confident	9 Å²	9	52.8 Å²	52.8	5%	0.047	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	122.7	156.3	-178.6	66.1	0	0	0	106.9	Y59 A60 L100 L109 R153 Y157	Y59-L159 CarbonylContact C-O 3.56Å; Y59-L159 WeakPolarHBondContact CA-O 3.46Å; A60-L159 HydrophobicContact CB-CD2 4.1Å; A60-L159 HydrophobicContact CB-CG 4.04Å; A60-L159 PolarHBondContact N-O 2.87Å; L100-L159 HydrophobicContact CD1-CD2 3.6Å; L109-L159 HydrophobicContact CD1-CD1 4.39Å; L109-L159 HydrophobicContact CD2-CD1 3.6Å; R153-L159 HydrophobicContact CB-CD1 4.26Å; Y157-L159 PolarHBondContact O-N 3.16Å
160	V	91.8	Very high	86.1	Confident	28 Å²	28	52.5 Å²	52.5	17%	0.17	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.7	179.8	178.7	0	0	0	0	107.9	M58 Y59 T152 P158	M58-V160 WeakPolarHBondContact O-CA 3.48Å; Y59-V160 HydrophobicContact CD1-CG2 3.96Å; Y59-V160 HydrophobicContact CE1-CG2 4.17Å; T152-V160 PolarHBondContact N-O 2.83Å; T152-V160 PolarHBondContact O-N 3.4Å; T152-V160 PolarHBondContact OG1-O 3.14Å; P158-V160 HydrophobicContact CB-CG2 4.14Å; P158-V160 PolarHBondContact O-N 3.06Å
161	C	93	Very high	84.5	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.7	176.7	-70.7	0	0	0	0	110.4	H57 M58 A60 I98 I148 K150	H57-C161 VanDerWaalsContact CA-O 3.27Å; H57-C161 WeakPolarHBondContact CA-O 3.01Å; M58-C161 PolarHBondContact N-O 2.79Å; M58-C161 PolarHBondContact O-N 3.32Å; A60-C161 HydrophobicContact CB-CB 3.84Å; A60-C161 WeakPolarHBondContact CB-SG 3.48Å; I98-C161 HydrophobicContact CD1-CB 3.9Å; I148-C161 HydrophobicContact CD1-CB 4.29Å; I148-C161 HydrophobicContact CG2-CB 4.49Å; K150-C161 CarbonylContact O-C 3.53Å; K150-C161 WeakPolarHBondContact O-CA 3.47Å
162	H	95.2	Very high	82.4	Confident	64 Å²	64	54.4 Å²	54.4	30%	0.296	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	141.5	164.1	-58.9	-105.1	0	0	0	108	T56 H57 T149 K150	T56-H162 WeakPolarHBondContact O-CA 3.33Å; H57-H162 WeakPolarHBondContact CB-ND1 3.24Å; T149-H162 PolarHBondContact N-O 3.37Å; T149-H162 VanDerWaalsContact OG1-C 3.3Å; T149-H162 PolarHBondContact OG1-O 2.96Å; T149-H162 VanDerWaalsContact OG1-O 3.13Å; K150-H162 HydrophobicContact CB-CB 4.1Å; K150-H162 PolarHBondContact N-O 2.57Å; K150-H162 PolarHBondContact O-N 3.01Å
163	G	95.9	Very high	80.2	Confident	1 Å²	1	63 Å²	63	1%	0.01	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	170.7	176	0	0	0	0	0	113	E55 T56 R147	E55-G163 WeakPolarHBondContact CA-O 3.46Å; T56-G163 PolarHBondContact N-O 3.31Å; T56-G163 PolarHBondContact O-N 2.91Å; R147-G163 CarbonylContact O-C 3.43Å; R147-G163 WeakPolarHBondContact O-CA 3.44Å
164	T	97.3	Very high	77.7	Confident	35 Å²	35	64.5 Å²	64.5	22%	0.215	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	127	178.9	-49.2	0	0	0	0	109.2	G53 S54 I146 R147 L166	G53-T164 WeakPolarHBondContact O-CG2 3.38Å; S54-T164 WeakPolarHBondContact O-CA 3.31Å; I146-T164 WeakPolarHBondContact CA-O 3.43Å; R147-T164 PolarHBondContact N-O 3.28Å; R147-T164 PolarHBondContact O-N 3.18Å; T164-L166 PolarHBondContact O-N 3.08Å
165	I	96.5	Very high	75.9	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	125.9	176.8	-59.8	-64.3	0	0	0	109.1	L50 G53 S54 T56 T119 Q144 I146	L50-I165 HydrophobicContact CB-CD1 4.23Å; L50-I165 HydrophobicContact CB-CG1 3.81Å; L50-I165 HydrophobicContact CD1-CD1 3.82Å; L50-I165 HydrophobicContact CD1-CG1 4.01Å; G53-I165 PolarHBondContact N-O 2.87Å; S54-I165 PolarHBondContact O-N 2.79Å; T56-I165 HydrophobicContact CG2-CD1 4Å; T56-I165 HydrophobicContact CG2-CG1 4.16Å; T119-I165 HydrophobicContact CG2-CD1 4.06Å; Q144-I165 HydrophobicContact CB-CG2 4.37Å; I146-I165 HydrophobicContact CB-CD1 4.19Å; I146-I165 HydrophobicContact CD1-CD1 4Å; I146-I165 HydrophobicContact CG1-CD1 4.18Å
166	L	94.7	Very high	74.6	Confident	11 Å²	11	60.5 Å²	60.5	6%	0.058	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-83.8	141	-176.8	-60.7	-178.4	0	0	0	111.1	V116 R145 R147 T164	V116-L166 HydrophobicContact CG1-CD1 3.92Å; V116-L166 HydrophobicContact CG2-CD1 3.96Å; R145-L166 HydrophobicContact CB-CB 4.11Å; R145-L166 HydrophobicContact CB-CD1 4.12Å; R145-L166 HydrophobicContact CB-CG 4.44Å; R145-L166 VanDerWaalsContact NH1-CD1 3.3Å; R145-L166 PolarHBondContact O-N 2.69Å; R147-L166 HydrophobicContact CB-CD1 4.28Å; R147-L166 HydrophobicContact CB-CD2 3.83Å; R147-L166 HydrophobicContact CB-CG 4.24Å; R147-L166 VanDerWaalsContact CZ-CD2 3.48Å; T164-L166 PolarHBondContact O-N 3.08Å
167	P	91.1	Very high	73.5	Confident	52 Å²	52	54.5 Å²	54.5	34%	0.338	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-70.8	152.9	178.1	31.2	-35.1	0	0	0	111.5	P52 R145 D452	P52-P167 HydrophobicContact CB-CB 4.01Å; R145-P167 PolarHBondContact NH2-O 2.92Å; P167-D452 HydrophobicContact CG-CB 4.46Å
168	E	88.3	Confident	72.9	Confident	64 Å²	64	51.8 Å²	51.8	30%	0.299	27%	0.268	S	S	.	.			trans	-98.7	100.1	164.3	-168.5	63.5	-137.9	0	0	108.2	V428 Y432 R457	E168-V428 HydrophobicContact CG-CB 4.39Å; E168-V428 HydrophobicContact CG-CG1 3.63Å; E168-V428 HydrophobicContact CG-CG2 3.81Å; E168-Y432 WeakPolarHBondContact OE2-CE2 3.25Å; E168-Y432 PolarHBondContact OE2-OH 3.45Å; E168-R457 IonicContact OE1-CZ 2.79Å; E168-R457 VanDerWaalsContact OE1-CZ 3.24Å; E168-R457 IonicContact OE1-NH1 3.9Å; E168-R457 PolarHBondContact OE1-NH1 3Å; E168-R457 IonicContact OE1-NH2 2.71Å; E168-R457 PolarHBondContact OE1-NH2 2.95Å; E168-R457 IonicContact OE2-NH1 3.18Å; E168-R457 IonicContact OE2-NH2 3.16Å
169	A	79.9	Confident	71.7	Confident	36 Å²	36	51.8 Å²	51.8	30%	0.298	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-87.2	118.3	-179.8	0	0	0	0	0	109.8	D452 H453 V454	A169-D452 PolarHBondContact N-O 2.62Å; A169-H453 HydrophobicContact CB-CB 4.26Å; A169-H453 WeakPolarHBondContact O-CA 3.36Å; A169-V454 PolarHBondContact O-N 2.98Å
170	S	74.8	Confident	70	Confident	60 Å²	60	53.3 Å²	53.3	42%	0.42	28%	0.276	S	S	.	.			trans	-128.2	157.1	169.9	61.6	0	0	0	0	109	D172	S170-D172 PolarHBondContact O-N 3.11Å
171	F	60.1	Low	68.3	Low	45 Å²	45	52 Å²	52	20%	0.197	27%	0.268	C	S	.	.			trans	-55	129.9	165.5	-66.4	-66.6	0	0	0	109	R173 M175 A176 V455	F171-R173 PolarHBondContact O-N 2.78Å; F171-M175 HydrophobicContact CD1-CB 4.39Å; F171-A176 HydrophobicContact CB-CB 3.87Å; F171-V455 HydrophobicContact CD2-CG2 4Å; F171-V455 HydrophobicContact CE2-CG2 3.38Å; F171-V455 HydrophobicContact CZ-CG2 4.1Å
172	D	49.4	Very low	66.4	Low	126 Å²	126	55.1 Å²	55.1	67%	0.674	28%	0.28	S	S	*	.			trans	-52.9	142.1	165.2	-75.5	-41.2	0	0	0	108.2	S170 E174 M175 A176	S170-D172 PolarHBondContact O-N 3.11Å; D172-E174 CarbonylContact O-C 3.56Å; D172-E174 PolarHBondContact O-N 2.81Å; D172-M175 PolarHBondContact O-N 3.48Å; D172-A176 PolarHBondContact O-N 3.39Å; D172-A176 VanDerWaalsContact O-N 3.09Å
173	R	44	Very low	64.7	Low	234 Å²	234	55.6 Å²	55.6	88%	0.883	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47	-23.4	-178	-79.1	178.8	78.7	176.9	7.6	113	F171	F171-R173 PolarHBondContact O-N 2.78Å
174	E	35.1	Very low	63.1	Low	161 Å²	161	58.5 Å²	58.5	75%	0.752	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-29	178.2	-57.2	-166.3	165.3	0	0	114.1	D172 W182	D172-E174 CarbonylContact O-C 3.56Å; D172-E174 PolarHBondContact O-N 2.81Å; E174-W182 PolarHBondContact O-NE1 2.68Å
175	M	37	Very low	61.4	Low	86 Å²	86	57.2 Å²	57.2	42%	0.424	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-10	176	-66.6	-178.9	84.9	0	0	114	F171 D172 S177 H178	F171-M175 HydrophobicContact CD1-CB 4.39Å; D172-M175 PolarHBondContact O-N 3.48Å; M175-S177 PolarHBondContact O-N 3.12Å; M175-H178 PolarHBondContact O-N 3.39Å; M175-H178 VanDerWaalsContact O-N 3.08Å
176	A	41	Very low	60.1	Low	30 Å²	30	58.9 Å²	58.9	25%	0.248	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-6.5	-170.1	0	0	0	0	0	116.4	F171 D172 R376	F171-A176 HydrophobicContact CB-CB 3.87Å; D172-A176 PolarHBondContact O-N 3.39Å; D172-A176 VanDerWaalsContact O-N 3.09Å; A176-R376 PolarHBondContact O-NH2 3.09Å
177	S	47.3	Very low	58.9	Low	15 Å²	15	69.8 Å²	69.8	11%	0.105	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-6.9	176.2	67	0	0	0	0	115.6	M175 G193 R376	M175-S177 PolarHBondContact O-N 3.12Å; S177-G193 WeakPolarHBondContact CB-O 3.36Å; S177-G193 PolarHBondContact OG-O 2.94Å; S177-R376 PolarHBondContact O-NE 2.84Å; S177-R376 PolarHBondContact O-NH2 2.98Å
178	H	53.2	Low	58.1	Low	3 Å²	3	71.1 Å²	71.1	1%	0.014	37%	0.371	C	S	.	.			trans	-150	131.2	-176	-159.7	-101.1	0	0	0	115.1	M175 L180 G181 I185 A380	M175-H178 PolarHBondContact O-N 3.39Å; M175-H178 VanDerWaalsContact O-N 3.08Å; H178-L180 WeakPolarHBondContact ND1-CB 3.22Å; H178-L180 PolarHBondContact ND1-N 2.95Å; H178-L180 PolarHBondContact O-N 3.38Å; H178-G181 PolarHBondContact O-N 2.96Å; H178-I185 HydrophobicContact CB-CD1 4.19Å; H178-A380 PolarHBondContact NE2-N 2.82Å
179	P	51.4	Low	57.1	Low	27 Å²	27	72.7 Å²	72.7	18%	0.175	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-25.9	178.9	-29.1	34.8	0	0	0	116.1	Y394 D398	P179-Y394 HydrophobicContact CB-CD1 4.19Å; P179-Y394 HydrophobicContact CB-CG 4.46Å; P179-Y394 WeakPolarHBondContact CG-O 3.4Å; P179-D398 HydrophobicContact CG-CB 4.06Å
180	L	53.8	Low	56.4	Low	41 Å²	41	72.6 Å²	72.6	22%	0.215	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	1.5	-176.2	-68.6	165.5	0	0	0	113.7	H178 L184 A383 Y394	H178-L180 WeakPolarHBondContact ND1-CB 3.22Å; H178-L180 PolarHBondContact ND1-N 2.95Å; H178-L180 PolarHBondContact O-N 3.38Å; L180-L184 HydrophobicContact CB-CB 4.18Å; L180-L184 HydrophobicContact CB-CD1 3.73Å; L180-L184 HydrophobicContact CB-CG 4.2Å; L180-L184 HydrophobicContact CD1-CB 4.48Å; L180-L184 HydrophobicContact CD1-CD1 3.78Å; L180-L184 HydrophobicContact CD2-CD1 3.45Å; L180-L184 VanDerWaalsContact CD2-CD1 3.45Å; L180-L184 HydrophobicContact CG-CD1 3.83Å; L180-A383 HydrophobicContact CD1-CB 3.14Å; L180-Y394 HydrophobicContact CD1-CD1 3.6Å; L180-Y394 HydrophobicContact CD1-CD2 3.69Å; L180-Y394 HydrophobicContact CD1-CE1 3.42Å; L180-Y394 VanDerWaalsContact CD1-CE1 3.42Å; L180-Y394 HydrophobicContact CD1-CE2 3.49Å; L180-Y394 VanDerWaalsContact CD1-CE2 3.49Å; L180-Y394 HydrophobicContact CD1-CG 3.75Å; L180-Y394 HydrophobicContact CD2-CD1 3.58Å; L180-Y394 HydrophobicContact CD2-CE1 3.03Å; L180-Y394 HydrophobicContact CG-CD1 3.45Å; L180-Y394 VanDerWaalsContact CG-CD1 3.45Å; L180-Y394 HydrophobicContact CG-CD2 4.46Å; L180-Y394 HydrophobicContact CG-CE1 3.38Å; L180-Y394 HydrophobicContact CG-CE2 4.38Å; L180-Y394 HydrophobicContact CG-CG 4.04Å
181	G	56.2	Low	55.9	Low	1 Å²	1	78.5 Å²	78.5	1%	0.01	39%	0.386	C	S	.	.			trans	64.3	173.6	-164	0	0	0	0	0	113.1	H178 G183	H178-G181 PolarHBondContact O-N 2.96Å; G181-G183 PolarHBondContact O-N 2.7Å
182	W	52.5	Low	56	Low	65 Å²	65	80.4 Å²	80.4	25%	0.246	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-68	-10.7	172.6	-67.7	104.1	0	0	0	113.5	E174 L184 I185 A190 R194	E174-W182 PolarHBondContact O-NE1 2.68Å; W182-L184 VanDerWaalsContact C-N 3.28Å; W182-L184 PolarHBondContact O-N 2.66Å; W182-I185 HydrophobicContact CE3-CB 4.24Å; W182-I185 HydrophobicContact CE3-CD1 3.83Å; W182-I185 HydrophobicContact CE3-CG2 4.32Å; W182-I185 HydrophobicContact CZ3-CD1 4.1Å; W182-I185 HydrophobicContact CZ3-CG2 4.44Å; W182-I185 PolarHBondContact O-N 3.47Å; W182-A190 HydrophobicContact CE3-CB 4.18Å; W182-A190 WeakPolarHBondContact CH2-O 3.46Å; W182-A190 VanDerWaalsContact CZ3-CA 3.44Å; W182-A190 HydrophobicContact CZ3-CB 3.98Å; W182-A190 VanDerWaalsContact CZ3-O 3.22Å; W182-A190 WeakPolarHBondContact CZ3-O 2.99Å; W182-R194 HydrophobicContact CH2-CG 4.15Å; W182-R194 HydrophobicContact CZ2-CG 4.12Å
183	G	58.2	Low	56.3	Low	75 Å²	75	74.6 Å²	74.6	77%	0.773	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-62.6	-30.1	-176.8	0	0	0	0	0	114.4	G181	G181-G183 PolarHBondContact O-N 2.7Å
184	L	63	Low	56.9	Low	61 Å²	61	72.5 Å²	72.5	32%	0.319	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-97.9	-3.6	178.5	-61	-176.2	0	0	0	113.8	L180 W182 A383 A387	L180-L184 HydrophobicContact CB-CB 4.18Å; L180-L184 HydrophobicContact CB-CD1 3.73Å; L180-L184 HydrophobicContact CB-CG 4.2Å; L180-L184 HydrophobicContact CD1-CB 4.48Å; L180-L184 HydrophobicContact CD1-CD1 3.78Å; L180-L184 HydrophobicContact CD2-CD1 3.45Å; L180-L184 VanDerWaalsContact CD2-CD1 3.45Å; L180-L184 HydrophobicContact CG-CD1 3.83Å; W182-L184 VanDerWaalsContact C-N 3.28Å; W182-L184 PolarHBondContact O-N 2.66Å; L184-A383 HydrophobicContact CB-CB 4.2Å; L184-A387 HydrophobicContact CD1-CB 4.13Å
185	I	62.9	Low	57.9	Low	9 Å²	9	68.1 Å²	68.1	5%	0.046	34%	0.338	C	S	.	.	S	Bend	trans	-96.3	118.9	177.4	-61.8	169.8	0	0	0	107.4	H178 W182 R187 W189 L379	H178-I185 HydrophobicContact CB-CD1 4.19Å; W182-I185 HydrophobicContact CE3-CB 4.24Å; W182-I185 HydrophobicContact CE3-CD1 3.83Å; W182-I185 HydrophobicContact CE3-CG2 4.32Å; W182-I185 HydrophobicContact CZ3-CD1 4.1Å; W182-I185 HydrophobicContact CZ3-CG2 4.44Å; W182-I185 PolarHBondContact O-N 3.47Å; I185-R187 PolarHBondContact O-N 3.01Å; I185-W189 HydrophobicContact CG2-CB 3.66Å; I185-L379 HydrophobicContact CD1-CB 4.22Å; I185-L379 HydrophobicContact CD1-CD1 4.34Å; I185-L379 HydrophobicContact CD1-CD2 4.16Å; I185-L379 HydrophobicContact CD1-CG 4.47Å; I185-L379 HydrophobicContact CG2-CD2 4.18Å
186	P	67.6	Low	58.7	Low	34 Å²	34	68.5 Å²	68.5	22%	0.221	35%	0.347	C	S	.	.			trans	-52.2	137.8	174.4	-26	33.9	0	0	0	110.7	S188 W189 A190 Y386	P186-S188 PolarHBondContact O-N 2.69Å; P186-W189 WeakPolarHBondContact O-CA 3.23Å; P186-W189 WeakPolarHBondContact O-CB 3.48Å; P186-W189 PolarHBondContact O-N 2.98Å; P186-A190 PolarHBondContact O-N 3.43Å; P186-Y386 HydrophobicContact CG-CE2 3.7Å; P186-Y386 WeakPolarHBondContact CG-OH 3.48Å
187	R	71	Confident	59	Low	241 Å²	241	74.7 Å²	74.7	91%	0.909	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-52.2	-32.5	-177.4	-71.4	-176.3	177.8	174.6	-0.4	113.5	I185 W189 A190	I185-R187 PolarHBondContact O-N 3.01Å; R187-W189 PolarHBondContact O-N 3.13Å; R187-A190 WeakPolarHBondContact O-CB 3.43Å; R187-A190 PolarHBondContact O-N 3.18Å
188	S	72.7	Confident	58.8	Low	79 Å²	79	79.8 Å²	79.8	55%	0.552	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-62.9	-24.2	175.5	51.3	0	0	0	0	113.8	P186	P186-S188 PolarHBondContact O-N 2.69Å
189	W	67.4	Low	58	Low	98 Å²	98	84.2 Å²	84.2	37%	0.371	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-95.4	-5.9	175.7	-69.3	66.7	0	0	0	113	I185 P186 R187 R191 F192 V378 V382	I185-W189 HydrophobicContact CG2-CB 3.66Å; P186-W189 WeakPolarHBondContact O-CA 3.23Å; P186-W189 WeakPolarHBondContact O-CB 3.48Å; P186-W189 PolarHBondContact O-N 2.98Å; R187-W189 PolarHBondContact O-N 3.13Å; W189-R191 PolarHBondContact O-N 3.02Å; W189-R191 VanDerWaalsContact O-N 3.14Å; W189-F192 HydrophobicContact CB-CD2 4.33Å; W189-F192 HydrophobicContact CD2-CD2 4.35Å; W189-F192 HydrophobicContact CE3-CD2 4.1Å; W189-F192 HydrophobicContact CG-CD2 4.46Å; W189-F192 WeakPolarHBondContact O-CA 3.38Å; W189-F192 WeakPolarHBondContact O-CB 3.19Å; W189-F192 PolarHBondContact O-N 3.49Å; W189-V378 HydrophobicContact CZ3-CG1 3.88Å; W189-V382 HydrophobicContact CD2-CG1 4.48Å; W189-V382 HydrophobicContact CD2-CG2 4.17Å; W189-V382 HydrophobicContact CE3-CG2 3.55Å; W189-V382 HydrophobicContact CH2-CG2 3.69Å; W189-V382 HydrophobicContact CZ2-CG2 4.3Å; W189-V382 HydrophobicContact CZ3-CG2 3.28Å
190	A	65.2	Low	57.1	Low	34 Å²	34	94 Å²	94	28%	0.281	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-58.1	-33.7	-178.4	0	0	0	0	0	112.5	W182 P186 R187 F192 G193	W182-A190 HydrophobicContact CE3-CB 4.18Å; W182-A190 WeakPolarHBondContact CH2-O 3.46Å; W182-A190 VanDerWaalsContact CZ3-CA 3.44Å; W182-A190 HydrophobicContact CZ3-CB 3.98Å; W182-A190 VanDerWaalsContact CZ3-O 3.22Å; W182-A190 WeakPolarHBondContact CZ3-O 2.99Å; P186-A190 PolarHBondContact O-N 3.43Å; R187-A190 WeakPolarHBondContact O-CB 3.43Å; R187-A190 PolarHBondContact O-N 3.18Å; A190-F192 PolarHBondContact O-N 2.84Å; A190-F192 VanDerWaalsContact O-N 3.14Å; A190-G193 PolarHBondContact O-N 2.78Å; A190-G193 VanDerWaalsContact O-N 3.09Å
191	R	64.2	Low	56.1	Low	184 Å²	184	98 Å²	98	69%	0.694	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-60.2	-22.2	173.6	68.9	-176.9	179.5	-158.3	-1.1	113.6	W189 R375	W189-R191 PolarHBondContact O-N 3.02Å; W189-R191 VanDerWaalsContact O-N 3.14Å; R191-R375 PolarHBondContact O-NH2 3.48Å
192	F	62.2	Low	55.1	Low	85 Å²	85	102.9 Å²	102.9	37%	0.373	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-90.3	-3	178	-60.1	-67.3	0	0	0	113.6	W189 A190 R375 L379	W189-F192 HydrophobicContact CB-CD2 4.33Å; W189-F192 HydrophobicContact CD2-CD2 4.35Å; W189-F192 HydrophobicContact CE3-CD2 4.1Å; W189-F192 HydrophobicContact CG-CD2 4.46Å; W189-F192 WeakPolarHBondContact O-CA 3.38Å; W189-F192 WeakPolarHBondContact O-CB 3.19Å; W189-F192 PolarHBondContact O-N 3.49Å; A190-F192 PolarHBondContact O-N 2.84Å; A190-F192 VanDerWaalsContact O-N 3.14Å; F192-R375 VanDerWaalsContact C-NE 3.3Å; F192-R375 VanDerWaalsContact CA-NH2 3.26Å; F192-R375 WeakPolarHBondContact O-CD 3.31Å; F192-R375 WeakPolarHBondContact O-CG 3.32Å; F192-R375 PolarHBondContact O-NE 2.94Å; F192-R375 PolarHBondContact O-NH2 2.71Å; F192-L379 HydrophobicContact CB-CD2 4.19Å
193	G	56.1	Low	54	Low	4 Å²	4	104.5 Å²	104.5	4%	0.041	57%	0.568	C	S	.	*	S	Bend	trans	-107.5	0.5	175	0	0	0	0	0	115.6	S177 A190	S177-G193 WeakPolarHBondContact CB-O 3.36Å; S177-G193 PolarHBondContact OG-O 2.94Å; A190-G193 PolarHBondContact O-N 2.78Å; A190-G193 VanDerWaalsContact O-N 3.09Å
194	R	57.5	Low	53	Low	189 Å²	189	108.5 Å²	108.5	71%	0.713	57%	0.566	S	S	*	*	S	Bend	trans	-90.5	119.8	174.1	-68.9	-168.4	-179.7	-148.4	-1.3	109.7	W182 R375	W182-R194 HydrophobicContact CH2-CG 4.15Å; W182-R194 HydrophobicContact CZ2-CG 4.12Å; R194-R375 PolarHBondContact O-NH1 2.84Å; R194-R375 PolarHBondContact O-NH2 2.89Å
195	D	55.1	Low	51.4	Low	70 Å²	70	112.7 Å²	112.7	37%	0.374	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-55.4	137.6	171.5	-62.3	-33	0	0	0	109.2	L197 L372 R376	D195-L197 PolarHBondContact O-N 2.6Å; D195-L372 HydrophobicContact CB-CD2 4.49Å; D195-R376 IonicContact OD1-NH1 3.28Å; D195-R376 IonicContact OD2-NH1 2.72Å
196	P	53.8	Low	50	Low	94 Å²	94	118 Å²	118	61%	0.61	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-60	131.8	179.8	18.4	-19.5	0	0	0	108.9
197	L	48.2	Very low	48.1	Very low	160 Å²	160	124.3 Å²	124.3	84%	0.838	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-57	138.3	174.7	-71.4	170.4	0	0	0	108.8	D195 A199	D195-L197 PolarHBondContact O-N 2.6Å; L197-A199 PolarHBondContact O-N 3.38Å; L197-A199 VanDerWaalsContact O-N 3.14Å
198	P	42	Very low	46.3	Very low	121 Å²	121	117.6 Å²	117.6	79%	0.786	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-52.6	125.2	174.8	-22.3	30.7	0	0	0	109.4	R200	P198-R200 PolarHBondContact O-N 2.78Å; P198-R200 VanDerWaalsContact O-N 3.11Å
199	A	36.6	Very low	44.5	Very low	96 Å²	96	121.7 Å²	121.7	79%	0.793	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-59	119.7	175.4	0	0	0	0	0	108.4	L197	L197-A199 PolarHBondContact O-N 3.38Å; L197-A199 VanDerWaalsContact O-N 3.14Å
200	R	32.5	Very low	42.8	Very low	234 Å²	234	125.9 Å²	125.9	88%	0.883	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-54.8	131.6	170.9	-129.7	178.8	-174.4	-178.9	1.3	107.3	P198 S202	P198-R200 PolarHBondContact O-N 2.78Å; P198-R200 VanDerWaalsContact O-N 3.11Å; R200-S202 PolarHBondContact O-N 2.78Å
201	P	34.6	Very low	41.3	Very low	123 Å²	123	131.3 Å²	131.3	80%	0.799	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-56.6	119.3	176	-19.3	30.2	0	0	0	108.3	A203	P201-A203 PolarHBondContact O-N 2.79Å; P201-A203 VanDerWaalsContact O-N 3.12Å
202	S	33.6	Very low	39.7	Very low	105 Å²	105	127.9 Å²	127.9	73%	0.734	72%	0.722	S	S	*	*			trans	-65.1	112.6	175.6	42.3	0	0	0	0	108.3	R200 H204	R200-S202 PolarHBondContact O-N 2.78Å; S202-H204 PolarHBondContact O-N 3.45Å
203	A	30	Very low	38.4	Very low	98 Å²	98	128.9 Å²	128.9	81%	0.81	75%	0.745	S	S	*	*			trans	-70	83	167.7	0	0	0	0	0	108.7	P201	P201-A203 PolarHBondContact O-N 2.79Å; P201-A203 VanDerWaalsContact O-N 3.12Å
204	H	36.8	Very low	37.2	Very low	159 Å²	159	134 Å²	134	74%	0.736	78%	0.781	S	S	*	*			trans	-143.2	112.6	170.6	-89.4	-57.9	0	0	0	112.3	S202	S202-H204 PolarHBondContact O-N 3.45Å
205	N	29.6	Very low	36.1	Very low	150 Å²	150	132.1 Å²	132.1	80%	0.802	79%	0.79	S	S	*	*			trans	55.3	104	144.7	-72.5	-10.9	0	0	0	120
206	S	32.8	Very low	35.1	Very low	121 Å²	121	133 Å²	133	85%	0.846	81%	0.807	S	S	*	*			trans	-133.7	73.2	142.8	52.4	0	0	0	0	110.6
207	N	29.2	Very low	34.2	Very low	166 Å²	166	133.4 Å²	133.4	89%	0.888	81%	0.812	S	S	*	*			trans	-90.5	97.1	156.9	-104.1	-8.4	0	0	0	108
208	S	32.9	Very low	33.6	Very low	99 Å²	99	131.4 Å²	131.4	69%	0.692	81%	0.807	S	S	*	*			trans	-175	104.4	150.9	57.3	0	0	0	0	109.8
209	N	34.1	Very low	33.2	Very low	165 Å²	165	133.8 Å²	133.8	88%	0.882	80%	0.804	S	S	*	*				-167.4	113	122.7	-92.2	-17.6	0	0	0	110
210	Q	31.8	Very low	33.2	Very low	187 Å²	187	138.8 Å²	138.8	87%	0.874	80%	0.804	S	S	*	*			trans	-62.1	134.5	166.6	-66.1	170.5	-16.2	0	0	109.9
211	V	34.6	Very low	33.5	Very low	147 Å²	147	132.3 Å²	132.3	89%	0.891	79%	0.793	S	S	*	*			trans	-144.7	130.5	132.1	-177.7	0	0	0	0	108.1
212	S	29.8	Very low	33.4	Very low	113 Å²	113	134.1 Å²	134.1	79%	0.79	80%	0.796	S	S	*	*			trans	-68.9	143	-166.8	-42.8	0	0	0	0	115.5
213	A	35.1	Very low	33.6	Very low	105 Å²	105	135.1 Å²	135.1	87%	0.868	80%	0.802	S	S	*	*			trans	-158.2	110.9	140	0	0	0	0	0	109.4
214	S	30.5	Very low	33.9	Very low	113 Å²	113	141.9 Å²	141.9	79%	0.79	81%	0.807	S	S	*	*			trans	-75	133.6	179.7	49	0	0	0	0	112.8
215	V	35.3	Very low	34.1	Very low	149 Å²	149	139.4 Å²	139.4	90%	0.903	81%	0.805	S	S	*	*			trans	-147.9	126.7	135.7	-179.7	0	0	0	0	108.6
216	A	34.3	Very low	34.5	Very low	88 Å²	88	136.9 Å²	136.9	73%	0.727	80%	0.799	S	S	*	*			trans	-75.3	147.9	-175.2	0	0	0	0	0	113.3
217	S	33.3	Very low	34.8	Very low	103 Å²	103	138.5 Å²	138.5	72%	0.72	79%	0.793	S	S	*	*				118.6	136.1	114.2	-153.6	0	0	0	0	107.6
218	T	35.7	Very low	35.3	Very low	118 Å²	118	137.2 Å²	137.2	72%	0.724	79%	0.786	S	S	*	*			cis	-163.1	127.4	19.2	-22.2	0	0	0	0	107.9
219	K	35.4	Very low	35.6	Very low	170 Å²	170	137.5 Å²	137.5	74%	0.739	79%	0.788	S	S	*	*			trans	30.4	123.7	139.3	-74.4	-178.5	176	-179.4	0	123.2
220	Y	36.5	Very low	36	Very low	201 Å²	201	137.6 Å²	137.6	79%	0.788	79%	0.788	S	S	*	*				87.1	148.7	127.7	-74.5	-50.5	0	0	0	121.5
221	P	37.2	Very low	36.4	Very low	99 Å²	99	134 Å²	134	64%	0.643	78%	0.781	S	S	*	*				-129.8	175.2	-124.8	39.9	-21.5	0	0	0	115.2
222	N	32.4	Very low	36.5	Very low	161 Å²	161	132.8 Å²	132.8	86%	0.861	78%	0.778	S	S	*	*			trans	53.6	102.5	152.4	-73.2	-13.5	0	0	0	118.9
223	S	37.5	Very low	36.9	Very low	125 Å²	125	133 Å²	133	87%	0.874	78%	0.78	S	S	*	*			trans	-140.6	127.1	131.9	42.8	0	0	0	0	110.3
224	R	37.7	Very low	37.1	Very low	240 Å²	240	133.7 Å²	133.7	91%	0.906	78%	0.776	S	S	*	*			trans	-63.4	179	169.6	-93.1	-179.8	176.4	178.2	-1.5	111.1
225	P	40.5	Very low	37.6	Very low	107 Å²	107	133.7 Å²	133.7	70%	0.695	77%	0.773	S	S	*	*			cis	-137.7	-174.1	-35.2	35	-15.8	0	0	0	112.1
226	S	37.8	Very low	37.5	Very low	97 Å²	97	131.5 Å²	131.5	68%	0.678	77%	0.765	S	S	*	*			trans	116.9	132.2	135.1	84.9	0	0	0	0	119.4
227	H	40.3	Very low	37.3	Very low	155 Å²	155	136.3 Å²	136.3	72%	0.718	77%	0.771	S	S	*	*			trans	74.2	120	151.3	-69.8	-63.9	0	0	0	122.4
228	N	37.8	Very low	37.1	Very low	139 Å²	139	137 Å²	137	74%	0.743	78%	0.777	S	S	*	*			trans	57.6	129.9	131.6	-54.3	-5.3	0	0	0	116.5
229	S	39.3	Very low	36.7	Very low	105 Å²	105	139.6 Å²	139.6	73%	0.734	79%	0.785	S	S	*	*			cis	174.6	135.2	38.1	32.7	0	0	0	0	108.3
230	L	44.3	Very low	36.4	Very low	168 Å²	168	138.1 Å²	138.1	88%	0.88	79%	0.791	S	S	*	*			trans	42	158.2	132.5	-88.3	148.1	0	0	0	122.4
231	P	38.3	Very low	36	Very low	112 Å²	112	135.1 Å²	135.1	73%	0.727	79%	0.793	S	S	*	*				-124.5	170.9	-108.1	43.3	-29.1	0	0	0	114.5
232	S	38.2	Very low	35.7	Very low	120 Å²	120	137.5 Å²	137.5	84%	0.839	80%	0.8	S	S	*	*			trans	-160.1	144.6	156.6	55.7	0	0	0	0	112.8
233	S	37.9	Very low	35.5	Very low	119 Å²	119	139.4 Å²	139.4	83%	0.832	80%	0.801	S	S	*	*			trans	-72.3	173.6	-160.2	-20.5	0	0	0	0	117.2
234	P	39.2	Very low	34.9	Very low	118 Å²	118	139.5 Å²	139.5	77%	0.766	80%	0.8	S	S	*	*			trans	-98.5	-157.8	-159.8	45.7	-38.8	0	0	0	111.7
235	P	40.1	Very low	34.5	Very low	114 Å²	114	135.6 Å²	135.6	74%	0.74	80%	0.796	S	S	*	*			cis	-143.3	174.5	8	40.2	-18.5	0	0	0	117.9
236	S	34.4	Very low	34.1	Very low	103 Å²	103	135.7 Å²	135.7	72%	0.72	80%	0.797	S	S	*	*				160.4	117.8	124.9	63.4	0	0	0	0	114.7
237	H	29.3	Very low	33.6	Very low	188 Å²	188	136.8 Å²	136.8	87%	0.87	80%	0.801	S	S	*	*			trans	40.5	117.8	145.9	-59.8	-79.6	0	0	0	123
238	S	30.3	Very low	33	Very low	119 Å²	119	134.9 Å²	134.9	83%	0.832	81%	0.812	S	S	*	*				-174.4	152.9	119.8	45.3	0	0	0	0	111.7
239	L	26.2	Very low	32.5	Very low	172 Å²	172	131.5 Å²	131.5	90%	0.901	81%	0.81	S	S	*	*			trans	-74	144.5	-158.2	-63.8	120	0	0	0	115.3
240	T	30.1	Very low	32.2	Very low	139 Å²	139	132.1 Å²	132.1	85%	0.853	81%	0.805	S	S	*	*			trans	-150.8	135.8	151	-29	0	0	0	0	111.5
241	V	27.9	Very low	31.6	Very low	137 Å²	137	125.9 Å²	125.9	83%	0.83	78%	0.778	S	S	*	*			trans	-63.6	128.4	-175.6	176.1	0	0	0	0	111.4
242	N	29.6	Very low	31.4	Very low	150 Å²	150	123.1 Å²	123.1	80%	0.802	76%	0.755	S	S	*	*			trans	-129.9	138.5	168.2	-97.4	-20.2	0	0	0	110.8
243	F	29.9	Very low	30.9	Very low	200 Å²	200	118.7 Å²	118.7	88%	0.877	72%	0.724	S	S	*	*			trans	-47.8	132.5	-174.4	-77.9	-101.4	0	0	0	114.6	I245	F243-I245 PolarHBondContact O-N 3.3Å
244	C	25	Very low	30.6	Very low	128 Å²	128	116.3 Å²	116.3	87%	0.865	70%	0.701	S	S	*	*			trans	-65.9	114.2	174.1	-68.9	0	0	0	0	111.9
245	I	28.7	Very low	30.3	Very low	157 Å²	157	111.9 Å²	111.9	81%	0.805	67%	0.67	S	S	*	*			trans	-110.9	111.8	158.1	-60.4	172.2	0	0	0	106	F243	F243-I245 PolarHBondContact O-N 3.3Å
246	P	31.3	Very low	29.8	Very low	110 Å²	110	109.4 Å²	109.4	71%	0.714	65%	0.65	S	S	*	*			trans	-81.8	150.5	165.6	7.8	10.1	0	0	0	110.1
247	P	27.7	Very low	29.7	Very low	120 Å²	120	108 Å²	108	78%	0.779	64%	0.641	S	S	*	*			trans	-80.3	148.9	-158.1	31.8	-34.5	0	0	0	113.9	G249	P247-G249 PolarHBondContact O-N 2.93Å; P247-G249 VanDerWaalsContact O-N 3.11Å
248	A	27.1	Very low	29.8	Very low	115 Å²	115	109.9 Å²	109.9	95%	0.95	64%	0.64	S	S	*	*			trans	-67.3	100.1	164.2	0	0	0	0	0	109.8
249	G	27.6	Very low	29.9	Very low	67 Å²	67	108.9 Å²	108.9	69%	0.691	62%	0.624	S	S	*	*			trans	-150.7	95.8	172.8	0	0	0	0	0	108.9	P247 A251	P247-G249 PolarHBondContact O-N 2.93Å; P247-G249 VanDerWaalsContact O-N 3.11Å; G249-A251 PolarHBondContact O-N 2.94Å
250	N	33.6	Very low	30	Very low	118 Å²	118	102 Å²	102	63%	0.631	59%	0.591	S	S	*	*			trans	-72.1	110.3	-177.1	-168.7	2.3	0	0	0	109.9	F252 S253	N250-F252 PolarHBondContact O-N 3.49Å; N250-F252 WeakPolarHBondContact OD1-CD2 3.22Å; N250-F252 PolarHBondContact OD1-N 2.95Å; N250-S253 PolarHBondContact O-N 3.15Å
251	A	30.9	Very low	30	Very low	37 Å²	37	98.5 Å²	98.5	31%	0.306	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.2	0.6	178.4	0	0	0	0	0	114.2	G249	G249-A251 PolarHBondContact O-N 2.94Å
252	F	33.4	Very low	29.8	Very low	55 Å²	55	100.5 Å²	100.5	24%	0.241	56%	0.562	C	S	.	*	T	Hydrogen-bonded Turn	trans	-102.2	8.4	178.1	-59	-65.2	0	0	0	114.7	N250 I254 F255 K421	N250-F252 PolarHBondContact O-N 3.49Å; N250-F252 WeakPolarHBondContact OD1-CD2 3.22Å; N250-F252 PolarHBondContact OD1-N 2.95Å; F252-I254 PolarHBondContact O-N 2.66Å; F252-I254 VanDerWaalsContact O-N 3.12Å; F252-F255 PolarHBondContact O-N 3.21Å; F252-K421 HydrophobicContact CD1-CD 4.47Å; F252-K421 HydrophobicContact CE1-CB 4.27Å; F252-K421 HydrophobicContact CE1-CD 3.4Å; F252-K421 VanDerWaalsContact CE1-CE 3.43Å; F252-K421 HydrophobicContact CE1-CG 3.88Å; F252-K421 HydrophobicContact CE2-CB 3.89Å; F252-K421 HydrophobicContact CE2-CD 4.41Å; F252-K421 HydrophobicContact CE2-CG 4.41Å; F252-K421 HydrophobicContact CZ-CB 3.69Å; F252-K421 HydrophobicContact CZ-CD 3.39Å; F252-K421 HydrophobicContact CZ-CG 3.8Å
253	S	29.7	Very low	29.7	Very low	27 Å²	27	101.1 Å²	101.1	19%	0.189	55%	0.553	C	S	.	*	G	3₁₀ helix	trans	-68.2	-6.6	176.7	89.6	0	0	0	0	114.7	N250 F255 T261	N250-S253 PolarHBondContact O-N 3.15Å; S253-F255 PolarHBondContact O-N 3.18Å; S253-T261 WeakPolarHBondContact CB-O 3.38Å; S253-T261 PolarHBondContact OG-O 2.66Å
254	I	31.4	Very low	29.6	Very low	69 Å²	69	96.4 Å²	96.4	35%	0.354	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-70.5	-15.8	172.9	59.4	171.5	0	0	0	112.9	F252	F252-I254 PolarHBondContact O-N 2.66Å; F252-I254 VanDerWaalsContact O-N 3.12Å
255	F	33.1	Very low	29.8	Very low	25 Å²	25	97.3 Å²	97.3	11%	0.11	54%	0.543	C	S	.	.	G	3₁₀ helix	trans	-113.1	0.5	-168.1	-75.6	-50.5	0	0	0	114.8	F252 S253 S257 W422 P429	F252-F255 PolarHBondContact O-N 3.21Å; S253-F255 PolarHBondContact O-N 3.18Å; F255-S257 PolarHBondContact O-N 3.24Å; F255-W422 AromaticContact CD2-CH2 3.83Å; F255-W422 HydrophobicContact CD2-CH2 3.83Å; F255-W422 HydrophobicContact CD2-CZ3 4.44Å; F255-W422 AromaticContact CE2-CH2 3.96Å; F255-W422 HydrophobicContact CE2-CH2 3.96Å; F255-W422 HydrophobicContact CG-CH2 4.3Å; F255-P429 HydrophobicContact CB-CB 3.44Å; F255-P429 VanDerWaalsContact CB-CB 3.44Å; F255-P429 HydrophobicContact CB-CG 4Å; F255-P429 HydrophobicContact CD1-CB 3.87Å; F255-P429 HydrophobicContact CG-CB 3.82Å; F255-P429 WeakPolarHBondContact O-CB 3.38Å; F255-P429 WeakPolarHBondContact O-CG 3.34Å
256	D	29.5	Very low	29.7	Very low	61 Å²	61	93.2 Å²	93.2	33%	0.326	54%	0.539	S	S	.	.			trans	-81.2	108.3	173	-164.7	-32.3	0	0	0	109.4	R258 L259 S260	D256-R258 PolarHBondContact O-N 2.8Å; D256-R258 VanDerWaalsContact O-N 3.15Å; D256-R258 WeakPolarHBondContact OD1-CA 3.23Å; D256-R258 WeakPolarHBondContact OD1-CB 3.49Å; D256-R258 PolarHBondContact OD1-N 3.38Å; D256-L259 HydrophobicContact CB-CB 3.72Å; D256-L259 CarbonylContact O-C 3.57Å; D256-L259 PolarHBondContact O-N 3.38Å; D256-L259 VanDerWaalsContact O-N 3.15Å; D256-L259 PolarHBondContact OD1-N 2.92Å; D256-L259 VanDerWaalsContact OD2-CB 3.25Å; D256-L259 WeakPolarHBondContact OD2-CB 3.36Å; D256-L259 VanDerWaalsContact OD2-CD1 3.26Å; D256-L259 WeakPolarHBondContact OD2-CD1 3.31Å; D256-L259 WeakPolarHBondContact OD2-CG 3.49Å; D256-S260 PolarHBondContact O-N 3.38Å
257	S	32.1	Very low	29.6	Very low	75 Å²	75	93.6 Å²	93.6	52%	0.524	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-13	175.8	49.3	0	0	0	0	113.1	F255	F255-S257 PolarHBondContact O-N 3.24Å
258	R	31.7	Very low	29.5	Very low	227 Å²	227	95.6 Å²	95.6	86%	0.857	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-16.5	171.6	-64.1	-179.3	177.5	141.1	-1.2	113.6	D256	D256-R258 PolarHBondContact O-N 2.8Å; D256-R258 VanDerWaalsContact O-N 3.15Å; D256-R258 WeakPolarHBondContact OD1-CA 3.23Å; D256-R258 WeakPolarHBondContact OD1-CB 3.49Å; D256-R258 PolarHBondContact OD1-N 3.38Å
259	L	31.3	Very low	29.5	Very low	97 Å²	97	95.7 Å²	95.7	51%	0.508	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.1	41.6	-177.4	-53.8	172.1	0	0	0	113.7	D256 T261	D256-L259 HydrophobicContact CB-CB 3.72Å; D256-L259 CarbonylContact O-C 3.57Å; D256-L259 PolarHBondContact O-N 3.38Å; D256-L259 VanDerWaalsContact O-N 3.15Å; D256-L259 PolarHBondContact OD1-N 2.92Å; D256-L259 VanDerWaalsContact OD2-CB 3.25Å; D256-L259 WeakPolarHBondContact OD2-CB 3.36Å; D256-L259 VanDerWaalsContact OD2-CD1 3.26Å; D256-L259 WeakPolarHBondContact OD2-CD1 3.31Å; D256-L259 WeakPolarHBondContact OD2-CG 3.49Å; L259-T261 WeakPolarHBondContact O-CB 3.44Å; L259-T261 PolarHBondContact O-N 3.16Å; L259-T261 PolarHBondContact O-OG1 2.94Å
260	S	27.5	Very low	29.5	Very low	29 Å²	29	98.5 Å²	98.5	20%	0.203	55%	0.547	C	S	.	.			trans	-55.8	90.2	164	56.9	0	0	0	0	108.2	R47 D256	R47-S260 VanDerWaalsContact CZ-O 3.31Å; R47-S260 PolarHBondContact NH1-O 3.48Å; D256-S260 PolarHBondContact O-N 3.38Å
261	T	30.2	Very low	29.2	Very low	64 Å²	64	96.6 Å²	96.6	39%	0.393	56%	0.555	S	S	.	*			trans	-140.8	105	-168	45	0	0	0	0	107.8	S253 L259	S253-T261 WeakPolarHBondContact CB-O 3.38Å; S253-T261 PolarHBondContact OG-O 2.66Å; L259-T261 WeakPolarHBondContact O-CB 3.44Å; L259-T261 PolarHBondContact O-N 3.16Å; L259-T261 PolarHBondContact O-OG1 2.94Å
262	W	25.3	Very low	28.9	Very low	179 Å²	179	102.1 Å²	102.1	68%	0.678	58%	0.58	S	S	*	*			trans	66.4	114.2	155.3	-56.9	99.1	0	0	0	119.2	T264	W262-T264 HydrophobicContact CE3-CG2 3.7Å; W262-T264 HydrophobicContact CZ3-CG2 3.74Å
263	R	27.4	Very low	28.7	Very low	164 Å²	164	106.3 Å²	106.3	62%	0.619	61%	0.61	S	S	*	*				-104.6	113.1	128.5	-70.3	-162.8	-168.3	-128.5	14.5	108.1
264	T	27	Very low	28.6	Very low	101 Å²	101	115.4 Å²	115.4	62%	0.62	64%	0.642	S	S	*	*			trans	-135.4	94	157	33.6	0	0	0	0	106.5	W262	W262-T264 HydrophobicContact CE3-CG2 3.7Å; W262-T264 HydrophobicContact CZ3-CG2 3.74Å
265	T	28.8	Very low	28.7	Very low	147 Å²	147	117.3 Å²	117.3	90%	0.902	66%	0.658	S	S	*	*			trans	-154.6	87.7	156.9	50.1	0	0	0	0	108.5
266	G	26.9	Very low	28.4	Very low	71 Å²	71	121.1 Å²	121.1	73%	0.732	69%	0.689	S	S	*	*			trans	-116.6	150.1	148.3	0	0	0	0	0	107.4
267	P	28.4	Very low	28.3	Very low	118 Å²	118	124.7 Å²	124.7	77%	0.766	72%	0.717	S	S	*	*			trans	-86	142.6	-154.3	33.4	-33.9	0	0	0	114.8
268	I	26.1	Very low	27.9	Very low	161 Å²	161	126.5 Å²	126.5	83%	0.826	73%	0.729	S	S	*	*			trans	69.6	105.2	145.8	-51.6	155.6	0	0	0	117.9
269	S	28.3	Very low	28	Very low	117 Å²	117	121.1 Å²	121.1	82%	0.818	73%	0.726	S	S	*	*				-172.8	129.8	114.1	46.8	0	0	0	0	111.2
270	S	26	Very low	28.1	Very low	127 Å²	127	121.4 Å²	121.4	89%	0.888	74%	0.743	S	S	*	*			trans	-61.7	143.5	-174.2	39.5	0	0	0	0	116.5
271	G	28.6	Very low	28.2	Very low	78 Å²	78	124 Å²	124	80%	0.804	78%	0.775	S	S	*	*			trans	179.6	100.4	164.2	0	0	0	0	0	113.5
272	N	24.3	Very low	28.3	Very low	153 Å²	153	126 Å²	126	82%	0.818	80%	0.798	S	S	*	*			trans	-55.1	134.8	175.4	-88.6	-22.2	0	0	0	114.1
273	T	30.2	Very low	28.3	Very low	143 Å²	143	128.7 Å²	128.7	88%	0.877	81%	0.808	S	S	*	*			trans	-167	121.7	131	-4.8	0	0	0	0	112.6
274	Y	26.1	Very low	28.5	Very low	217 Å²	217	128.4 Å²	128.4	85%	0.851	82%	0.817	S	S	*	*			trans	-81.3	175.1	158	-73.8	-80.8	0	0	0	109.1
275	P	34.6	Very low	28.5	Very low	109 Å²	109	129.7 Å²	129.7	71%	0.708	82%	0.821	S	S	*	*			cis	-150.8	173.3	21.5	42.8	-20.5	0	0	0	119.5
276	S	25.5	Very low	28.5	Very low	106 Å²	106	130.1 Å²	130.1	74%	0.741	81%	0.812	S	S	*	*			trans	36.7	130.9	140	67.8	0	0	0	0	123.7
277	C	28.5	Very low	28.6	Very low	136 Å²	136	137.1 Å²	137.1	92%	0.919	82%	0.822	S	S	*	*				-157.7	147.6	126.5	-135.1	0	0	0	0	112.6
278	S	24.4	Very low	28.7	Very low	112 Å²	112	136.3 Å²	136.3	78%	0.783	82%	0.815	S	S	*	*			trans	-134.9	137	-169.2	45.4	0	0	0	0	110.5
279	S	33.5	Very low	28.9	Very low	114 Å²	114	135.7 Å²	135.7	80%	0.797	81%	0.813	S	S	*	*			trans	-164	111	160.7	58.1	0	0	0	0	108.7
280	A	32.9	Very low	29.3	Very low	104 Å²	104	137.7 Å²	137.7	86%	0.86	82%	0.815	S	S	*	*				72.9	105.9	79	0	0	0	0	0	113.4
281	G	29.4	Very low	29.7	Very low	84 Å²	84	138.4 Å²	138.4	87%	0.866	81%	0.809	S	S	*	*				102.7	148.6	113.3	0	0	0	0	0	110.5
282	A	32.1	Very low	30	Very low	106 Å²	106	139.3 Å²	139.3	88%	0.876	80%	0.803	S	S	*	*			cis	-164.4	167.8	7.9	0	0	0	0	0	109.3
283	R	25.9	Very low	30.6	Very low	235 Å²	235	139.1 Å²	139.1	89%	0.887	80%	0.802	S	S	*	*			trans	-71.5	155.9	174.5	-70.2	167.8	152.8	142.7	-7.8	113.2
284	L	31.1	Very low	30.8	Very low	157 Å²	157	140.8 Å²	140.8	82%	0.822	80%	0.8	S	S	*	*				178	124	121.6	-119.4	85.9	0	0	0	114.1
285	D	27.7	Very low	31.1	Very low	129 Å²	129	139.1 Å²	139.1	69%	0.69	80%	0.8	S	S	*	*				43.7	133.3	127.7	-63.8	-14.5	0	0	0	127.1
286	H	28.5	Very low	31	Very low	155 Å²	155	142 Å²	142	72%	0.718	80%	0.804	S	S	*	*			trans	61	123.8	134.5	-74	-65.5	0	0	0	123.4
287	F	28.4	Very low	31.3	Very low	218 Å²	218	143.6 Å²	143.6	96%	0.956	80%	0.804	S	S	*	*			trans	-139.3	134.1	147.4	-100.9	-90.7	0	0	0	109.8
288	V	30.8	Very low	31.5	Very low	102 Å²	102	141.6 Å²	141.6	62%	0.618	79%	0.791	S	S	*	*			trans	-131.2	155.6	174.2	-161.5	0	0	0	0	107.8
289	D	31	Very low	31.9	Very low	147 Å²	147	145.9 Å²	145.9	79%	0.786	80%	0.796	S	S	*	*			trans	89.8	117	156.3	-57.1	-42.5	0	0	0	118.4
290	D	35.4	Very low	31.7	Very low	160 Å²	160	150.5 Å²	150.5	86%	0.856	80%	0.802	S	S	*	*				-163	157.1	113.4	-132.1	-18.2	0	0	0	114.1
291	D	35	Very low	31.6	Very low	141 Å²	141	151.3 Å²	151.3	75%	0.754	80%	0.801	S	S	*	*			trans	-89	177.3	-147.9	-100.6	-39.8	0	0	0	120.5
292	S	35.7	Very low	31.5	Very low	97 Å²	97	155.2 Å²	155.2	68%	0.678	80%	0.795	S	S	*	*			trans	82.4	143.3	146.6	64.2	0	0	0	0	120.5
293	D	35.2	Very low	31.4	Very low	149 Å²	149	156.6 Å²	156.6	80%	0.797	80%	0.796	S	S	*	*			cis	-172.1	168.6	-7.5	-101.1	-31.1	0	0	0	109.5
294	Q	35.3	Very low	31.6	Very low	179 Å²	179	150.8 Å²	150.8	84%	0.836	78%	0.783	S	S	*	*			trans	91.4	103.6	163.5	-52.3	-165.8	-16.8	0	0	118.4
295	E	31.7	Very low	31.6	Very low	181 Å²	181	151.1 Å²	151.1	85%	0.846	78%	0.78	S	S	*	*				57.8	122.4	82	-73.3	-168.9	159	0	0	112.9
296	E	34.2	Very low	31.9	Very low	170 Å²	170	151.8 Å²	151.8	79%	0.794	78%	0.783	S	S	*	*				-171.6	138.3	57.2	-124.1	-178.9	173	0	0	113.1
297	N	30.9	Very low	32	Very low	139 Å²	139	152.6 Å²	152.6	74%	0.743	79%	0.785	S	S	*	*			trans	33.2	119.4	139.1	-79	-32.4	0	0	0	126.4
298	S	31.8	Very low	32.2	Very low	94 Å²	94	151.4 Å²	151.4	66%	0.657	78%	0.779	S	S	*	*				79.8	118.6	117.8	81.7	0	0	0	0	122.2
299	K	33.3	Very low	32.3	Very low	203 Å²	203	152.6 Å²	152.6	88%	0.883	78%	0.783	S	S	*	*				164.3	136.4	104.6	-92.3	174.4	-178.4	168.6	0	113.7
300	K	28.9	Very low	32.6	Very low	210 Å²	210	152.4 Å²	152.4	91%	0.913	78%	0.781	S	S	*	*			trans	-64	147.7	167.9	-95.1	168.1	167	169.4	0	112.7
301	S	32.3	Very low	32.5	Very low	122 Å²	122	153.6 Å²	153.6	85%	0.853	78%	0.782	S	S	*	*				-161.9	137	129	60.2	0	0	0	0	112.3
302	K	26.7	Very low	32.6	Very low	166 Å²	166	150.5 Å²	150.5	72%	0.722	78%	0.784	S	S	*	*			trans	-108.3	141.6	177.9	178	-173.1	-178.6	-167.3	0	107.5	D304	K302-D304 VanDerWaalsContact CE-OD2 3.25Å; K302-D304 WeakPolarHBondContact CE-OD2 3.2Å; K302-D304 IonicContact NZ-OD2 3.47Å; K302-D304 PolarHBondContact NZ-OD2 2.75Å
303	C	30.5	Very low	32.5	Very low	135 Å²	135	153.4 Å²	153.4	91%	0.912	79%	0.791	S	S	*	*			trans	-143	133.5	159.6	-84.4	0	0	0	0	110.5
304	D	29.3	Very low	32.5	Very low	113 Å²	113	153 Å²	153	60%	0.604	80%	0.795	S	S	*	*			trans	-100.1	161.3	-178.6	-77	-53.3	0	0	0	111.5	K302	K302-D304 VanDerWaalsContact CE-OD2 3.25Å; K302-D304 WeakPolarHBondContact CE-OD2 3.2Å; K302-D304 IonicContact NZ-OD2 3.47Å; K302-D304 PolarHBondContact NZ-OD2 2.75Å
305	H	31.3	Very low	32.3	Very low	164 Å²	164	152.1 Å²	152.1	76%	0.759	79%	0.79	S	S	*	*			trans	59	123.8	144.1	-83.8	-58.9	0	0	0	124.3
306	D	33.8	Very low	32.5	Very low	142 Å²	142	152 Å²	152	76%	0.759	80%	0.795	S	S	*	*				160.2	114.1	112.5	-85.2	-28.8	0	0	0	111.4
307	K	30.7	Very low	32.3	Very low	173 Å²	173	150.2 Å²	150.2	75%	0.752	79%	0.79	S	S	*	*				60	120.5	96.2	-105.6	-172.5	-179	-176.6	0	116.4
308	F	32.6	Very low	32.2	Very low	192 Å²	192	149.6 Å²	149.6	84%	0.842	80%	0.796	S	S	*	*				175.4	145.5	117.7	-102.6	-77.9	0	0	0	113
309	D	32.7	Very low	32.2	Very low	128 Å²	128	149 Å²	149	68%	0.684	80%	0.796	S	S	*	*			trans	-81	161	-169.4	-52.2	-70.7	0	0	0	115.7
310	N	37.1	Very low	32	Very low	143 Å²	143	144.9 Å²	144.9	77%	0.765	79%	0.793	S	S	*	*				175.4	124.1	113.6	-105.1	-4.7	0	0	0	115.8
311	E	34.4	Very low	32.2	Very low	184 Å²	184	140.6 Å²	140.6	86%	0.86	79%	0.79	S	S	*	*			trans	38.4	142.7	130.1	-65.1	-176.1	159.2	0	0	125.2
312	G	36.4	Very low	32	Very low	77 Å²	77	139.6 Å²	139.6	79%	0.794	78%	0.783	S	S	*	*			trans	166.5	98.1	157.6	0	0	0	0	0	114.7
313	D	33.7	Very low	32.2	Very low	157 Å²	157	143 Å²	143	84%	0.84	79%	0.793	S	S	*	*			trans	-64.3	165	-177.2	-65.8	-52.1	0	0	0	117.1
314	T	35.6	Very low	32.2	Very low	141 Å²	141	144.3 Å²	144.3	87%	0.865	79%	0.791	S	S	*	*				170.5	135.2	105.7	-46.4	0	0	0	0	112.4
315	E	31.5	Very low	32.3	Very low	160 Å²	160	148 Å²	148	75%	0.748	80%	0.802	S	S	*	*			trans	-74.6	167.3	-179.9	-59.7	176.3	130.1	0	0	115.6
316	L	34.5	Very low	32.3	Very low	179 Å²	179	148.5 Å²	148.5	94%	0.937	80%	0.801	S	S	*	*				-170.6	149.4	124.2	-99.7	157.1	0	0	0	113.6
317	N	29.6	Very low	32.1	Very low	132 Å²	132	150.3 Å²	150.3	71%	0.706	81%	0.805	S	S	*	*			trans	-105.1	178.5	-157.5	-94.9	-45.8	0	0	0	115.6
318	C	29.5	Very low	32	Very low	126 Å²	126	145.3 Å²	145.3	85%	0.851	80%	0.803	S	S	*	*			trans	103.1	149	148.3	-66.6	0	0	0	0	118
319	A	31.1	Very low	31.9	Very low	81 Å²	81	142.7 Å²	142.7	67%	0.669	80%	0.802	S	S	*	*			cis	-176.1	140.2	-29.4	0	0	0	0	0	107.5
320	S	30	Very low	31.7	Very low	117 Å²	117	145.9 Å²	145.9	82%	0.818	81%	0.81	S	S	*	*			trans	49.3	131.1	143.1	53	0	0	0	0	123.5
321	S	33.5	Very low	31.4	Very low	121 Å²	121	145.2 Å²	145.2	85%	0.846	82%	0.816	S	S	*	*				-166.5	145.8	112.8	70.2	0	0	0	0	113.3
322	S	28.1	Very low	31.1	Very low	101 Å²	101	139.9 Å²	139.9	71%	0.706	81%	0.811	S	S	*	*			trans	-107.9	151.1	-178.5	59.5	0	0	0	0	111.4
323	Y	30.9	Very low	30.8	Very low	238 Å²	238	144 Å²	144	93%	0.933	82%	0.815	S	S	*	*			trans	-150.7	126.9	148.4	-96.9	-77.4	0	0	0	112.8
324	N	30.8	Very low	30.6	Very low	161 Å²	161	146 Å²	146	86%	0.861	82%	0.816	S	S	*	*			trans	-85.4	159.7	171.2	-92.8	-51.8	0	0	0	111.2
325	K	31.5	Very low	30.3	Very low	192 Å²	192	147 Å²	147	84%	0.835	82%	0.815	S	S	*	*				157.6	109.4	113.5	-165.9	170	-168.6	-176.6	0	115.8
326	K	30.3	Very low	30.2	Very low	173 Å²	173	144.7 Å²	144.7	75%	0.752	82%	0.823	S	S	*	*				49.8	137.5	129	-78.6	-178.3	175.7	179.8	0	125.6
327	Q	30.8	Very low	29.9	Very low	180 Å²	180	147.4 Å²	147.4	84%	0.841	82%	0.821	S	S	*	*			trans	74.2	139.5	144.2	-68.7	169.8	9.5	0	0	117.3
328	G	27.5	Very low	30.2	Very low	68 Å²	68	146.7 Å²	146.7	70%	0.701	83%	0.827	S	S	*	*			cis	179.9	153.1	4.6	0	0	0	0	0	106.6
329	V	29.6	Very low	30.5	Very low	138 Å²	138	145.7 Å²	145.7	84%	0.836	82%	0.821	S	S	*	*				164.4	127	108	163.7	0	0	0	0	110.3
330	K	30.3	Very low	30.9	Very low	195 Å²	195	145 Å²	145	85%	0.848	81%	0.811	S	S	*	*			trans	39.9	114.9	145.5	-60.7	178.4	178.7	-179.8	0	124.5
331	S	29.6	Very low	31.4	Very low	128 Å²	128	146.8 Å²	146.8	90%	0.895	81%	0.811	S	S	*	*				52	117.8	119	-177.6	0	0	0	0	122.4
332	G	28.8	Very low	31.9	Very low	73 Å²	73	144.5 Å²	144.5	75%	0.753	80%	0.795	S	S	*	*			trans	-171.4	122.6	155.2	0	0	0	0	0	112.6
333	N	30.9	Very low	32.5	Very low	163 Å²	163	144.7 Å²	144.7	87%	0.872	79%	0.785	S	S	*	*			trans	-41.9	133.9	-176.8	-70.4	-26.4	0	0	0	116.4
334	K	29.3	Very low	33.4	Very low	199 Å²	199	136.7 Å²	136.7	87%	0.865	76%	0.758	S	S	*	*			trans	-167	119.1	146.2	-116.7	169.4	-178.6	-178.9	0	114.4
335	L	28.9	Very low	34.3	Very low	162 Å²	162	132.2 Å²	132.2	85%	0.848	73%	0.733	S	S	*	*			trans	42.7	125.1	149.3	-87.4	74.9	0	0	0	120.6	R337	L335-R337 PolarHBondContact O-N 2.64Å
336	A	28.1	Very low	35.4	Very low	111 Å²	111	128.4 Å²	128.4	92%	0.917	72%	0.719	S	S	*	*			trans	-49.3	112.2	174.4	0	0	0	0	0	112.9
337	R	28.9	Very low	36.5	Very low	237 Å²	237	123.8 Å²	123.8	89%	0.894	70%	0.701	S	S	*	*			trans	-90.2	118.5	170.4	-152.8	173.8	-174.7	177.5	0.8	107	L335 S339	L335-R337 PolarHBondContact O-N 2.64Å; R337-S339 PolarHBondContact O-N 2.74Å; R337-S339 VanDerWaalsContact O-N 3.13Å
338	S	35.3	Very low	38.1	Very low	117 Å²	117	119.3 Å²	119.3	82%	0.818	68%	0.683	S	S	*	*			trans	-50	118.7	173.2	52.9	0	0	0	0	109.7	S340	S338-S340 PolarHBondContact O-N 2.88Å; S338-S340 VanDerWaalsContact O-N 3.11Å
339	S	36.5	Very low	39.9	Very low	105 Å²	105	119.5 Å²	119.5	73%	0.734	67%	0.67	S	S	*	*			trans	-63.9	109.7	-177.7	52.8	0	0	0	0	110.6	R337 L341	R337-S339 PolarHBondContact O-N 2.74Å; R337-S339 VanDerWaalsContact O-N 3.13Å; S339-L341 PolarHBondContact O-N 2.78Å
340	S	39.6	Very low	41.1	Very low	66 Å²	66	119 Å²	119	46%	0.462	66%	0.663	S	S	.	*			trans	-66.4	107.3	163.2	53.1	0	0	0	0	109	S338 S342 L367	S338-S340 PolarHBondContact O-N 2.88Å; S338-S340 VanDerWaalsContact O-N 3.11Å; S340-S342 PolarHBondContact O-N 3.15Å; S340-L367 VanDerWaalsContact OG-CD2 3.28Å; S340-L367 WeakPolarHBondContact OG-CD2 3.16Å
341	L	40.7	Very low	42.3	Very low	154 Å²	154	121.6 Å²	121.6	81%	0.806	67%	0.667	S	S	*	*			trans	-69.3	113.4	173.4	-80.3	149.7	0	0	0	109.2	S339	S339-L341 PolarHBondContact O-N 2.78Å
342	S	43.1	Very low	43.5	Very low	73 Å²	73	117.2 Å²	117.2	51%	0.51	64%	0.638	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.9	124.5	165.1	60.7	0	0	0	0	108.8	S340	S340-S342 PolarHBondContact O-N 3.15Å
343	E	40.5	Very low	44.9	Very low	106 Å²	106	117.4 Å²	117.4	50%	0.495	63%	0.625	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.5	142.4	166.7	-85.4	-177.8	165.7	0	0	110.4	R371	E343-R371 IonicContact OE1-CZ 3.52Å; E343-R371 IonicContact OE1-NH2 3.25Å; E343-R371 PolarHBondContact OE1-NH2 3.28Å; E343-R371 IonicContact OE2-CZ 3.26Å; E343-R371 VanDerWaalsContact OE2-CZ 3.28Å; E343-R371 IonicContact OE2-NE 2.7Å; E343-R371 PolarHBondContact OE2-NE 2.7Å; E343-R371 IonicContact OE2-NH2 3.98Å; E343-R371 PolarHBondContact OE2-NH2 3.3Å
344	D	49.8	Very low	46.8	Very low	70 Å²	70	112.3 Å²	112.3	37%	0.374	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.7	113.2	165.9	-75.8	-26.8	0	0	0	108.1	R363 K365	D344-R363 HydrophobicContact CB-CG 4.48Å; D344-R363 IonicContact OD1-NE 3.93Å; D344-R363 IonicContact OD2-CZ 3.33Å; D344-R363 IonicContact OD2-NE 3.18Å; D344-R363 PolarHBondContact OD2-NE 3.15Å; D344-R363 IonicContact OD2-NH2 2.7Å; D344-R363 PolarHBondContact OD2-NH2 2.88Å; D344-K365 WeakPolarHBondContact OD1-CE 3.45Å; D344-K365 WeakPolarHBondContact OD1-CG 3.34Å
345	I	50.3	Low	48.8	Very low	67 Å²	67	115.3 Å²	115.3	34%	0.344	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95	121.4	170.7	-59.6	175.1	0	0	0	108.1	R363 I364	I345-R363 WeakPolarHBondContact O-CA 3.35Å; I345-I364 PolarHBondContact N-O 3.12Å; I345-I364 PolarHBondContact O-N 3.28Å
346	E	55.1	Low	51.2	Low	112 Å²	112	113 Å²	113	52%	0.523	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.7	116	171.9	-174.1	169.3	-146.1	0	0	109.2	I348 H361	E346-I348 HydrophobicContact CG-CG1 4.26Å; E346-H361 IonicContact OE1-CE1 3.51Å; E346-H361 IonicContact OE1-CG 3.76Å; E346-H361 IonicContact OE1-ND1 2.71Å; E346-H361 PolarHBondContact OE1-ND1 3.35Å
347	L	53.2	Low	53.2	Low	75 Å²	75	110.1 Å²	110.1	39%	0.393	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.4	117.2	171.6	-70.2	167.4	0	0	0	108.4	H361 Y362 I364	L347-H361 WeakPolarHBondContact O-CA 3.37Å; L347-Y362 PolarHBondContact N-O 3.25Å; L347-Y362 PolarHBondContact O-N 2.93Å; L347-I364 HydrophobicContact CD1-CD1 4.23Å
348	I	64.2	Low	55.3	Low	87 Å²	87	107 Å²	107	45%	0.446	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.2	118.5	172.5	-51.9	178	0	0	0	107.2	E346 D350 P359	E346-I348 HydrophobicContact CG-CG1 4.26Å; I348-D350 VanDerWaalsContact CG2-OD1 3.26Å; I348-D350 WeakPolarHBondContact CG2-OD1 3.27Å; I348-P359 HydrophobicContact CG2-CB 3.6Å; I348-P359 HydrophobicContact CG2-CG 4.27Å
349	V	64.6	Low	57.1	Low	72 Å²	72	103.7 Å²	103.7	44%	0.436	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	87.6	178	-172.5	0	0	0	0	108.3	R351 A352 F360	V349-R351 PolarHBondContact O-N 3.05Å; V349-A352 HydrophobicContact CB-CB 4.11Å; V349-A352 HydrophobicContact CG1-CB 3.65Å; V349-A352 CarbonylContact O-C 3.49Å; V349-A352 PolarHBondContact O-N 3.17Å; V349-F360 HydrophobicContact CB-CB 4.39Å; V349-F360 PolarHBondContact N-O 2.82Å
350	D	54.8	Low	58.5	Low	127 Å²	127	104.1 Å²	104.1	68%	0.679	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.4	-19.2	-174.4	-52.3	-15.4	0	0	0	114.1	I348	I348-D350 VanDerWaalsContact CG2-OD1 3.26Å; I348-D350 WeakPolarHBondContact CG2-OD1 3.27Å
351	R	56.1	Low	59.6	Low	249 Å²	249	105.9 Å²	105.9	94%	0.94	53%	0.531	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	-9.2	178.9	-64.5	-173.7	-179	179.7	-1	114.3	V349	V349-R351 PolarHBondContact O-N 3.05Å
352	A	55.7	Low	60.5	Low	36 Å²	36	105.9 Å²	105.9	30%	0.298	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	114.1	174.4	0	0	0	0	0	106.9	V349 P359 F360	V349-A352 HydrophobicContact CB-CB 4.11Å; V349-A352 HydrophobicContact CG1-CB 3.65Å; V349-A352 CarbonylContact O-C 3.49Å; V349-A352 PolarHBondContact O-N 3.17Å; A352-P359 CarbonylContact O-C 3.52Å; A352-P359 WeakPolarHBondContact O-CA 3.39Å; A352-F360 HydrophobicContact CB-CB 4.3Å; A352-F360 HydrophobicContact CB-CD2 3.81Å; A352-F360 HydrophobicContact CB-CG 4.42Å; A352-F360 WeakPolarHBondContact O-CD2 3.46Å; A352-F360 PolarHBondContact O-N 3.35Å
353	V	58	Low	60.6	Low	78 Å²	78	110.1 Å²	110.1	47%	0.473	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	146.4	177.1	-68.9	0	0	0	0	110.2	R358	V353-R358 CarbonylContact C-O 3.54Å; V353-R358 WeakPolarHBondContact CA-O 3.24Å
354	D	70.5	Confident	61.2	Low	56 Å²	56	108.3 Å²	108.3	30%	0.299	52%	0.519	S	S	.	.			trans	-67	178.4	169.5	71.7	10	0	0	0	111.3	V356 G357 R358 F360	D354-V356 PolarHBondContact O-N 2.73Å; D354-V356 VanDerWaalsContact OD1-C 3.27Å; D354-V356 VanDerWaalsContact OD1-CA 3.3Å; D354-V356 WeakPolarHBondContact OD1-CA 3.42Å; D354-V356 WeakPolarHBondContact OD1-CB 3.43Å; D354-V356 PolarHBondContact OD1-N 2.81Å; D354-G357 PolarHBondContact O-N 3.09Å; D354-G357 PolarHBondContact OD1-N 3.29Å; D354-R358 PolarHBondContact N-O 3.37Å; D354-R358 PolarHBondContact OD1-N 3.5Å; D354-F360 HydrophobicContact CB-CE2 4.49Å
355	R	71.6	Confident	60.8	Low	261 Å²	261	112.7 Å²	112.7	99%	0.985	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-9.8	178.8	-67.4	-175.8	177.3	-177.6	-1.8	114
356	V	78.3	Confident	60.5	Low	115 Å²	115	115.2 Å²	115.2	70%	0.697	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	8.9	-177.6	-152	0	0	0	0	111.5	D354 R358	D354-V356 PolarHBondContact O-N 2.73Å; D354-V356 VanDerWaalsContact OD1-C 3.27Å; D354-V356 VanDerWaalsContact OD1-CA 3.3Å; D354-V356 WeakPolarHBondContact OD1-CA 3.42Å; D354-V356 WeakPolarHBondContact OD1-CB 3.43Å; D354-V356 PolarHBondContact OD1-N 2.81Å; V356-R358 VanDerWaalsContact C-N 3.34Å
357	G	71.2	Confident	59.6	Low	50 Å²	50	114.9 Å²	114.9	52%	0.515	55%	0.546	S	S	.	.	S	Bend	trans	78.8	12.2	178.1	0	0	0	0	0	114.6	D354	D354-G357 PolarHBondContact O-N 3.09Å; D354-G357 PolarHBondContact OD1-N 3.29Å
358	R	73.3	Confident	58.8	Low	170 Å²	170	116 Å²	116	64%	0.642	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-87.7	137.6	176.6	-58.5	178.4	177.4	-177.9	-0.2	109.8	V353 D354 V356	V353-R358 CarbonylContact C-O 3.54Å; V353-R358 WeakPolarHBondContact CA-O 3.24Å; D354-R358 PolarHBondContact N-O 3.37Å; D354-R358 PolarHBondContact OD1-N 3.5Å; V356-R358 VanDerWaalsContact C-N 3.34Å
359	P	72.8	Confident	57.9	Low	48 Å²	48	118 Å²	118	31%	0.312	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-52.8	148.8	174.6	-24.4	33.3	0	0	0	111.5	I348 A352 H361	I348-P359 HydrophobicContact CG2-CB 3.6Å; I348-P359 HydrophobicContact CG2-CG 4.27Å; A352-P359 CarbonylContact O-C 3.52Å; A352-P359 WeakPolarHBondContact O-CA 3.39Å; P359-H361 PolarHBondContact O-CD2 3.43Å; P359-H361 PolarHBondContact O-N 2.95Å
360	F	64.1	Low	57	Low	115 Å²	115	116.1 Å²	116.1	50%	0.504	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.2	124.3	170.5	-95.9	-86.7	0	0	0	109.9	V349 A352 D354	V349-F360 HydrophobicContact CB-CB 4.39Å; V349-F360 PolarHBondContact N-O 2.82Å; A352-F360 HydrophobicContact CB-CB 4.3Å; A352-F360 HydrophobicContact CB-CD2 3.81Å; A352-F360 HydrophobicContact CB-CG 4.42Å; A352-F360 WeakPolarHBondContact O-CD2 3.46Å; A352-F360 PolarHBondContact O-N 3.35Å; D354-F360 HydrophobicContact CB-CE2 4.49Å
361	H	64.5	Low	56.6	Low	103 Å²	103	116.5 Å²	116.5	48%	0.477	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.4	124.6	174.4	-71.8	-135.3	0	0	0	108.9	E346 L347 P359	E346-H361 IonicContact OE1-CE1 3.51Å; E346-H361 IonicContact OE1-CG 3.76Å; E346-H361 IonicContact OE1-ND1 2.71Å; E346-H361 PolarHBondContact OE1-ND1 3.35Å; L347-H361 WeakPolarHBondContact O-CA 3.37Å; P359-H361 PolarHBondContact O-CD2 3.43Å; P359-H361 PolarHBondContact O-N 2.95Å
362	Y	58	Low	56.5	Low	153 Å²	153	107.4 Å²	107.4	60%	0.6	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	129.6	174.9	-164.9	-102.5	0	0	0	110	L347 I364	L347-Y362 PolarHBondContact N-O 3.25Å; L347-Y362 PolarHBondContact O-N 2.93Å; Y362-I364 HydrophobicContact CD1-CD1 3.84Å; Y362-I364 HydrophobicContact CD1-CG1 3.56Å; Y362-I364 HydrophobicContact CE1-CD1 3.7Å; Y362-I364 HydrophobicContact CE1-CG1 3.4Å; Y362-I364 VanDerWaalsContact CE1-CG1 3.4Å
363	R	47	Very low	56.5	Low	162 Å²	162	108.7 Å²	108.7	61%	0.611	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	120.5	-175.2	-161.5	175.3	-172.5	146.4	2.1	110.2	D344 I345	D344-R363 HydrophobicContact CB-CG 4.48Å; D344-R363 IonicContact OD1-NE 3.93Å; D344-R363 IonicContact OD2-CZ 3.33Å; D344-R363 IonicContact OD2-NE 3.18Å; D344-R363 PolarHBondContact OD2-NE 3.15Å; D344-R363 IonicContact OD2-NH2 2.7Å; D344-R363 PolarHBondContact OD2-NH2 2.88Å; I345-R363 WeakPolarHBondContact O-CA 3.35Å
364	I	52.4	Low	56.5	Low	68 Å²	68	107 Å²	107	35%	0.349	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133.8	-179.1	-54.9	174	0	0	0	108.8	I345 L347 Y362	I345-I364 PolarHBondContact N-O 3.12Å; I345-I364 PolarHBondContact O-N 3.28Å; L347-I364 HydrophobicContact CD1-CD1 4.23Å; Y362-I364 HydrophobicContact CD1-CD1 3.84Å; Y362-I364 HydrophobicContact CD1-CG1 3.56Å; Y362-I364 HydrophobicContact CE1-CD1 3.7Å; Y362-I364 HydrophobicContact CE1-CG1 3.4Å; Y362-I364 VanDerWaalsContact CE1-CG1 3.4Å
365	K	41.9	Very low	56.2	Low	163 Å²	163	107.3 Å²	107.3	71%	0.709	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	119.1	171.4	-79.3	-173.5	175.7	-173.4	0	109.9	D344	D344-K365 WeakPolarHBondContact OD1-CE 3.45Å; D344-K365 WeakPolarHBondContact OD1-CG 3.34Å
366	Q	43.1	Very low	55.9	Low	120 Å²	120	95.5 Å²	95.5	56%	0.561	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.3	146.4	177.6	-160.5	167.9	-1.1	0	0	112.8	P370	Q366-P370 HydrophobicContact CB-CG 4.25Å; Q366-P370 HydrophobicContact CG-CG 4.3Å
367	L	35.9	Very low	55.3	Low	105 Å²	105	91.8 Å²	91.8	55%	0.55	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	137.4	175.8	-90.2	86.7	0	0	0	111.8	S340	S340-L367 VanDerWaalsContact OG-CD2 3.28Å; S340-L367 WeakPolarHBondContact OG-CD2 3.16Å
368	C	37.6	Very low	55.1	Low	98 Å²	98	92.4 Å²	92.4	66%	0.662	44%	0.44	S	S	*	.	S	Bend	trans	65.1	132.2	167.5	-62.3	0	0	0	0	118.2	P370	C368-P370 VanDerWaalsContact C-CD 3.42Å; C368-P370 WeakPolarHBondContact O-CD 3.49Å; C368-P370 VanDerWaalsContact O-CG 3.31Å; C368-P370 WeakPolarHBondContact O-CG 3.43Å; C368-P370 VanDerWaalsContact O-N 3.1Å
369	D	43.9	Very low	54.8	Low	129 Å²	129	84.3 Å²	84.3	69%	0.69	41%	0.41	S	S	*	.			trans	-32	83.5	-147.8	-153.4	-6.8	0	0	0	119.2
370	P	46.1	Very low	54.5	Low	33 Å²	33	82.2 Å²	82.2	21%	0.214	40%	0.396	C	S	.	.			trans	-85.4	-4.5	-179.3	-3.9	23.2	0	0	0	113.6	Q366 C368 L372 L373 A374	Q366-P370 HydrophobicContact CB-CG 4.25Å; Q366-P370 HydrophobicContact CG-CG 4.3Å; C368-P370 VanDerWaalsContact C-CD 3.42Å; C368-P370 WeakPolarHBondContact O-CD 3.49Å; C368-P370 VanDerWaalsContact O-CG 3.31Å; C368-P370 WeakPolarHBondContact O-CG 3.43Å; C368-P370 VanDerWaalsContact O-N 3.1Å; P370-L372 VanDerWaalsContact C-N 3.33Å; P370-L372 PolarHBondContact O-N 3.4Å; P370-L373 PolarHBondContact O-N 2.85Å; P370-A374 VanDerWaalsContact O-CB 3.29Å; P370-A374 WeakPolarHBondContact O-CB 3.36Å; P370-A374 PolarHBondContact O-N 2.84Å
371	R	46.3	Very low	54.8	Low	135 Å²	135	79 Å²	79	51%	0.509	39%	0.391	S	S	.	.	H	α-helix	trans	-65.3	-34.9	-166.1	-73.9	179.2	172.3	175.9	-6.6	112.7	E343 R375	E343-R371 IonicContact OE1-CZ 3.52Å; E343-R371 IonicContact OE1-NH2 3.25Å; E343-R371 PolarHBondContact OE1-NH2 3.28Å; E343-R371 IonicContact OE2-CZ 3.26Å; E343-R371 VanDerWaalsContact OE2-CZ 3.28Å; E343-R371 IonicContact OE2-NE 2.7Å; E343-R371 PolarHBondContact OE2-NE 2.7Å; E343-R371 IonicContact OE2-NH2 3.98Å; E343-R371 PolarHBondContact OE2-NH2 3.3Å; R371-R375 WeakPolarHBondContact O-CB 3.48Å; R371-R375 PolarHBondContact O-N 2.65Å
372	L	53.6	Low	55	Low	58 Å²	58	75 Å²	75	30%	0.304	37%	0.373	S	S	.	.	H	α-helix	trans	-72.7	-46	179.2	-65.5	179.5	0	0	0	111.9	D195 P370 R375 R376	D195-L372 HydrophobicContact CB-CD2 4.49Å; P370-L372 VanDerWaalsContact C-N 3.33Å; P370-L372 PolarHBondContact O-N 3.4Å; L372-R375 PolarHBondContact O-N 3.17Å; L372-R376 WeakPolarHBondContact O-CG 3.37Å; L372-R376 PolarHBondContact O-N 3.26Å
373	L	55.7	Low	55.4	Low	62 Å²	62	67.7 Å²	67.7	33%	0.325	35%	0.345	S	S	.	.	H	α-helix	trans	-64.4	-46.9	177.4	-71.9	171.1	0	0	0	111.1	P370 R375 R376 D377	P370-L373 PolarHBondContact O-N 2.85Å; L373-R375 VanDerWaalsContact C-N 3.29Å; L373-R375 PolarHBondContact O-N 3.23Å; L373-R376 PolarHBondContact O-N 2.52Å; L373-R376 VanDerWaalsContact O-N 3.13Å; L373-D377 WeakPolarHBondContact O-CB 3.3Å; L373-D377 PolarHBondContact O-N 2.88Å
374	A	59.6	Low	56.5	Low	44 Å²	44	63.7 Å²	63.7	36%	0.364	33%	0.333	S	S	.	.	H	α-helix	trans	-59.3	-39.8	176	0	0	0	0	0	112.1	P370 D377 V378	P370-A374 VanDerWaalsContact O-CB 3.29Å; P370-A374 WeakPolarHBondContact O-CB 3.36Å; P370-A374 PolarHBondContact O-N 2.84Å; A374-D377 PolarHBondContact O-N 3.3Å; A374-V378 VanDerWaalsContact O-CG2 3.27Å; A374-V378 WeakPolarHBondContact O-CG2 3.09Å; A374-V378 PolarHBondContact O-N 3.31Å
375	R	63.5	Low	57.5	Low	62 Å²	62	64.6 Å²	64.6	23%	0.234	35%	0.345	C	S	.	.	H	α-helix	trans	-65.6	-40.1	176.1	-176	174	-176.7	-149.1	-10.4	112.2	R191 F192 R194 R371 L372 L373 V378 L379	R191-R375 PolarHBondContact O-NH2 3.48Å; F192-R375 VanDerWaalsContact C-NE 3.3Å; F192-R375 VanDerWaalsContact CA-NH2 3.26Å; F192-R375 WeakPolarHBondContact O-CD 3.31Å; F192-R375 WeakPolarHBondContact O-CG 3.32Å; F192-R375 PolarHBondContact O-NE 2.94Å; F192-R375 PolarHBondContact O-NH2 2.71Å; R194-R375 PolarHBondContact O-NH1 2.84Å; R194-R375 PolarHBondContact O-NH2 2.89Å; R371-R375 WeakPolarHBondContact O-CB 3.48Å; R371-R375 PolarHBondContact O-N 2.65Å; L372-R375 PolarHBondContact O-N 3.17Å; L373-R375 VanDerWaalsContact C-N 3.29Å; L373-R375 PolarHBondContact O-N 3.23Å; R375-V378 WeakPolarHBondContact O-CB 3.36Å; R375-V378 PolarHBondContact O-N 2.73Å; R375-L379 WeakPolarHBondContact O-CG 3.44Å; R375-L379 PolarHBondContact O-N 3.45Å; R375-L379 VanDerWaalsContact O-N 3.09Å
376	R	64.2	Low	58.9	Low	12 Å²	12	63.7 Å²	63.7	5%	0.045	34%	0.338	C	S	.	.	H	α-helix	trans	-69.6	-36.5	176.2	-67.3	168.6	92.9	100.1	-6.8	111.7	A176 S177 D195 L372 L373 V378 L379 A380 D398 N400	A176-R376 PolarHBondContact O-NH2 3.09Å; S177-R376 PolarHBondContact O-NE 2.84Å; S177-R376 PolarHBondContact O-NH2 2.98Å; D195-R376 IonicContact OD1-NH1 3.28Å; D195-R376 IonicContact OD2-NH1 2.72Å; L372-R376 WeakPolarHBondContact O-CG 3.37Å; L372-R376 PolarHBondContact O-N 3.26Å; L373-R376 PolarHBondContact O-N 2.52Å; L373-R376 VanDerWaalsContact O-N 3.13Å; R376-V378 VanDerWaalsContact C-N 3.33Å; R376-L379 WeakPolarHBondContact O-CB 3.39Å; R376-L379 PolarHBondContact O-N 2.7Å; R376-A380 WeakPolarHBondContact O-CB 3.46Å; R376-A380 PolarHBondContact O-N 3.49Å; R376-D398 IonicContact CZ-OD1 3.13Å; R376-D398 IonicContact CZ-OD2 3.62Å; R376-D398 VanDerWaalsContact NE-CG 3.31Å; R376-D398 IonicContact NE-OD1 3.43Å; R376-D398 PolarHBondContact NE-OD1 2.98Å; R376-D398 IonicContact NE-OD2 3.52Å; R376-D398 PolarHBondContact NE-OD2 2.99Å; R376-D398 VanDerWaalsContact NE-OD2 3.16Å; R376-D398 IonicContact NH2-OD1 3.29Å; R376-D398 PolarHBondContact NH2-OD1 3.23Å; R376-D398 IonicContact NH2-OD2 2.69Å; R376-N400 PolarHBondContact NH1-ND2 2.83Å; R376-N400 VanDerWaalsContact NH1-ND2 3.14Å; R376-N400 PolarHBondContact NH2-ND2 3.23Å
377	D	66.5	Low	60.3	Low	37 Å²	37	59.2 Å²	59.2	20%	0.198	32%	0.322	C	S	.	.	H	α-helix	trans	-63.7	-39.5	172.7	-67.7	-31.8	0	0	0	112.1	L373 A374 L379 A380 A381 R395	L373-D377 WeakPolarHBondContact O-CB 3.3Å; L373-D377 PolarHBondContact O-N 2.88Å; A374-D377 PolarHBondContact O-N 3.3Å; D377-L379 VanDerWaalsContact C-N 3.34Å; D377-A380 PolarHBondContact O-N 3.2Å; D377-A381 VanDerWaalsContact O-CB 3.3Å; D377-A381 WeakPolarHBondContact O-CB 3.48Å; D377-A381 PolarHBondContact O-N 3.09Å; D377-R395 IonicContact OD1-CZ 2.61Å; D377-R395 VanDerWaalsContact OD1-CZ 3.27Å; D377-R395 IonicContact OD1-NE 2.87Å; D377-R395 PolarHBondContact OD1-NE 3.42Å; D377-R395 IonicContact OD1-NH2 3.93Å; D377-R395 PolarHBondContact OD1-NH2 3.22Å; D377-R395 IonicContact OD2-CZ 3.34Å; D377-R395 IonicContact OD2-NE 2.6Å; D377-R395 IonicContact OD2-NH2 3.95Å; D377-R395 PolarHBondContact OD2-NH2 2.87Å
378	V	68	Low	62.4	Low	63 Å²	63	60 Å²	60	38%	0.382	34%	0.337	S	S	.	.	H	α-helix	trans	-60.9	-43.9	172	168.4	0	0	0	0	110.6	W189 A374 R375 R376 A381 V382	W189-V378 HydrophobicContact CZ3-CG1 3.88Å; A374-V378 VanDerWaalsContact O-CG2 3.27Å; A374-V378 WeakPolarHBondContact O-CG2 3.09Å; A374-V378 PolarHBondContact O-N 3.31Å; R375-V378 WeakPolarHBondContact O-CB 3.36Å; R375-V378 PolarHBondContact O-N 2.73Å; R376-V378 VanDerWaalsContact C-N 3.33Å; V378-A381 PolarHBondContact O-N 3.27Å; V378-V382 HydrophobicContact CG1-CG2 4.49Å; V378-V382 WeakPolarHBondContact O-CG2 3.38Å; V378-V382 PolarHBondContact O-N 2.8Å
379	L	65.4	Low	64.1	Low	1 Å²	1	59.2 Å²	59.2	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-65.7	-39.8	176.5	-64.2	169.3	0	0	0	112.5	I185 F192 R375 R376 D377 A381 V382 A383	I185-L379 HydrophobicContact CD1-CB 4.22Å; I185-L379 HydrophobicContact CD1-CD1 4.34Å; I185-L379 HydrophobicContact CD1-CD2 4.16Å; I185-L379 HydrophobicContact CD1-CG 4.47Å; I185-L379 HydrophobicContact CG2-CD2 4.18Å; F192-L379 HydrophobicContact CB-CD2 4.19Å; R375-L379 WeakPolarHBondContact O-CG 3.44Å; R375-L379 PolarHBondContact O-N 3.45Å; R375-L379 VanDerWaalsContact O-N 3.09Å; R376-L379 WeakPolarHBondContact O-CB 3.39Å; R376-L379 PolarHBondContact O-N 2.7Å; D377-L379 VanDerWaalsContact C-N 3.34Å; L379-A381 VanDerWaalsContact C-N 3.32Å; L379-A381 PolarHBondContact O-N 3.36Å; L379-V382 WeakPolarHBondContact O-CB 3.38Å; L379-V382 PolarHBondContact O-N 3.18Å; L379-A383 WeakPolarHBondContact O-CB 3.44Å; L379-A383 PolarHBondContact O-N 2.9Å
380	A	66.7	Low	65.8	Low	4 Å²	4	55.1 Å²	55.1	3%	0.033	31%	0.306	C	S	.	.	H	α-helix	trans	-63.4	-40.2	175.1	0	0	0	0	0	111.2	H178 R376 D377 A383 Q384 Y394	H178-A380 PolarHBondContact NE2-N 2.82Å; R376-A380 WeakPolarHBondContact O-CB 3.46Å; R376-A380 PolarHBondContact O-N 3.49Å; D377-A380 PolarHBondContact O-N 3.2Å; A380-A383 PolarHBondContact O-N 2.86Å; A380-Q384 PolarHBondContact O-N 2.8Å; A380-Y394 HydrophobicContact CB-CD2 4.35Å
381	A	70.7	Confident	66.9	Low	46 Å²	46	57.8 Å²	57.8	38%	0.38	31%	0.312	S	S	.	.	H	α-helix	trans	-67.6	-38.4	174.7	0	0	0	0	0	112.4	D377 V378 L379 A383 Q384 S385	D377-A381 VanDerWaalsContact O-CB 3.3Å; D377-A381 WeakPolarHBondContact O-CB 3.48Å; D377-A381 PolarHBondContact O-N 3.09Å; V378-A381 PolarHBondContact O-N 3.27Å; L379-A381 VanDerWaalsContact C-N 3.32Å; L379-A381 PolarHBondContact O-N 3.36Å; A381-A383 VanDerWaalsContact C-N 3.32Å; A381-Q384 WeakPolarHBondContact O-CB 3.48Å; A381-Q384 PolarHBondContact O-N 2.86Å; A381-S385 PolarHBondContact O-N 2.96Å
382	V	69.8	Low	68.3	Low	19 Å²	19	57.5 Å²	57.5	12%	0.115	31%	0.311	C	S	.	.	H	α-helix	trans	-61.9	-44.4	171.7	169.5	0	0	0	0	109.9	W189 V378 L379 Q384 S385 Y386	W189-V382 HydrophobicContact CD2-CG1 4.48Å; W189-V382 HydrophobicContact CD2-CG2 4.17Å; W189-V382 HydrophobicContact CE3-CG2 3.55Å; W189-V382 HydrophobicContact CH2-CG2 3.69Å; W189-V382 HydrophobicContact CZ2-CG2 4.3Å; W189-V382 HydrophobicContact CZ3-CG2 3.28Å; V378-V382 HydrophobicContact CG1-CG2 4.49Å; V378-V382 WeakPolarHBondContact O-CG2 3.38Å; V378-V382 PolarHBondContact O-N 2.8Å; L379-V382 WeakPolarHBondContact O-CB 3.38Å; L379-V382 PolarHBondContact O-N 3.18Å; V382-Q384 VanDerWaalsContact C-N 3.34Å; V382-Q384 PolarHBondContact O-N 2.67Å; V382-S385 VanDerWaalsContact O-CB 3.29Å; V382-S385 WeakPolarHBondContact O-CB 3.27Å; V382-S385 PolarHBondContact O-N 3.03Å; V382-S385 PolarHBondContact O-OG 2.88Å; V382-Y386 HydrophobicContact CG1-CE2 4.17Å; V382-Y386 VanDerWaalsContact O-CD2 3.31Å; V382-Y386 WeakPolarHBondContact O-CD2 3.46Å
383	A	65.4	Low	69.4	Low	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-72.9	-28	-178.2	0	0	0	0	0	113.2	L180 L184 L379 A380 A381 S385 Y386 A387	L180-A383 HydrophobicContact CD1-CB 3.14Å; L184-A383 HydrophobicContact CB-CB 4.2Å; L379-A383 WeakPolarHBondContact O-CB 3.44Å; L379-A383 PolarHBondContact O-N 2.9Å; A380-A383 PolarHBondContact O-N 2.86Å; A381-A383 VanDerWaalsContact C-N 3.32Å; A383-S385 PolarHBondContact O-N 3.27Å; A383-Y386 CarbonylContact O-C 3.53Å; A383-Y386 WeakPolarHBondContact O-CA 3.47Å; A383-Y386 PolarHBondContact O-N 3.01Å; A383-A387 PolarHBondContact O-N 3.29Å
384	Q	70	Confident	70.1	Confident	79 Å²	79	53.4 Å²	53.4	37%	0.369	29%	0.29	S	S	.	.	H	α-helix	trans	-56.9	-25.7	165.2	174.1	-178.9	-7.8	0	0	112.1	A380 A381 V382 Y386 A387 L389	A380-Q384 PolarHBondContact O-N 2.8Å; A381-Q384 WeakPolarHBondContact O-CB 3.48Å; A381-Q384 PolarHBondContact O-N 2.86Å; V382-Q384 VanDerWaalsContact C-N 3.34Å; V382-Q384 PolarHBondContact O-N 2.67Å; Q384-Y386 PolarHBondContact O-N 3.16Å; Q384-A387 CarbonylContact C-O 3.46Å; Q384-L389 WeakPolarHBondContact CG-O 3.4Å
385	S	74	Confident	70.9	Confident	86 Å²	86	54.4 Å²	54.4	60%	0.601	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-15.1	173	77	0	0	0	0	113.7	A381 V382 A383	A381-S385 PolarHBondContact O-N 2.96Å; V382-S385 VanDerWaalsContact O-CB 3.29Å; V382-S385 WeakPolarHBondContact O-CB 3.27Å; V382-S385 PolarHBondContact O-N 3.03Å; V382-S385 PolarHBondContact O-OG 2.88Å; A383-S385 PolarHBondContact O-N 3.27Å
386	Y	71.6	Confident	71.6	Confident	144 Å²	144	55 Å²	55	57%	0.565	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.7	-7.7	179.7	-60	-77.1	0	0	0	113.5	P186 V382 A383 Q384	P186-Y386 HydrophobicContact CG-CE2 3.7Å; P186-Y386 WeakPolarHBondContact CG-OH 3.48Å; V382-Y386 HydrophobicContact CG1-CE2 4.17Å; V382-Y386 VanDerWaalsContact O-CD2 3.31Å; V382-Y386 WeakPolarHBondContact O-CD2 3.46Å; A383-Y386 CarbonylContact O-C 3.53Å; A383-Y386 WeakPolarHBondContact O-CA 3.47Å; A383-Y386 PolarHBondContact O-N 3.01Å; Q384-Y386 PolarHBondContact O-N 3.16Å
387	A	71.7	Confident	72.4	Confident	27 Å²	27	58.1 Å²	58.1	22%	0.223	30%	0.302	C	S	.	.	S	Bend	trans	-138.3	148.8	-177.2	0	0	0	0	0	111	L184 A383 Q384 L389 Y394	L184-A387 HydrophobicContact CD1-CB 4.13Å; A383-A387 PolarHBondContact O-N 3.29Å; Q384-A387 CarbonylContact C-O 3.46Å; A387-L389 PolarHBondContact O-N 3.44Å; A387-L389 VanDerWaalsContact O-N 3.15Å; A387-Y394 WeakPolarHBondContact CB-OH 3.44Å
388	S	79.2	Confident	73	Confident	122 Å²	122	56.7 Å²	56.7	85%	0.853	29%	0.294	S	S	*	.	S	Bend	trans	-73.5	-4.6	-170.9	54.3	0	0	0	0	115.1
389	L	74.7	Confident	73.7	Confident	81 Å²	81	54.3 Å²	54.3	42%	0.424	28%	0.28	S	S	.	.	S	Bend	trans	-94.6	137.7	-176.4	-58.9	171.4	0	0	0	111.1	Q384 A387 V393 Y394	Q384-L389 WeakPolarHBondContact CG-O 3.4Å; A387-L389 PolarHBondContact O-N 3.44Å; A387-L389 VanDerWaalsContact O-N 3.15Å; L389-V393 HydrophobicContact CB-CB 4.23Å; L389-V393 HydrophobicContact CB-CG1 4.39Å; L389-V393 HydrophobicContact CB-CG2 4.34Å; L389-V393 HydrophobicContact CD1-CG1 4.15Å; L389-Y394 HydrophobicContact CB-CE1 4.22Å; L389-Y394 HydrophobicContact CB-CE2 4.26Å; L389-Y394 HydrophobicContact CD1-CE1 4.11Å; L389-Y394 WeakPolarHBondContact O-CE2 3.43Å
390	P	78.2	Confident	74.6	Confident	43 Å²	43	55.9 Å²	55.9	28%	0.279	29%	0.288	S	S	.	.			trans	-57.4	148.4	172.1	-25.5	34	0	0	0	112.9	W392 V393	P390-W392 VanDerWaalsContact CB-CD1 3.48Å; P390-W392 HydrophobicContact CB-CD2 4.28Å; P390-W392 HydrophobicContact CB-CG 4.14Å; P390-W392 HydrophobicContact CB-CZ2 4.29Å; P390-W392 HydrophobicContact CG-CZ2 4.12Å; P390-W392 PolarHBondContact O-N 2.93Å; P390-W392 VanDerWaalsContact O-N 3.08Å; P390-V393 HydrophobicContact CB-CG2 4.35Å; P390-V393 HydrophobicContact CG-CG2 4.44Å; P390-V393 VanDerWaalsContact O-CB 3.27Å; P390-V393 WeakPolarHBondContact O-CB 3.4Å; P390-V393 PolarHBondContact O-N 2.98Å
391	Y	69.7	Low	75.5	Confident	88 Å²	88	59 Å²	59	35%	0.345	30%	0.3	S	S	.	.	H	α-helix	trans	-55.4	-33.5	-178.2	76.9	-90.2	0	0	0	113.6	V393 Y394 R395	Y391-V393 PolarHBondContact O-N 2.87Å; Y391-Y394 WeakPolarHBondContact O-CB 3.18Å; Y391-Y394 PolarHBondContact O-N 2.91Å; Y391-Y394 VanDerWaalsContact O-N 3.13Å; Y391-R395 PolarHBondContact O-N 3.43Å; Y391-R395 VanDerWaalsContact O-N 3.12Å
392	W	76.8	Confident	76.4	Confident	129 Å²	129	57 Å²	57	49%	0.489	28%	0.282	S	S	.	.	H	α-helix	trans	-65.6	-24.2	179.6	63.1	-106.8	0	0	0	112.2	P390 R395 Q396	P390-W392 VanDerWaalsContact CB-CD1 3.48Å; P390-W392 HydrophobicContact CB-CD2 4.28Å; P390-W392 HydrophobicContact CB-CG 4.14Å; P390-W392 HydrophobicContact CB-CZ2 4.29Å; P390-W392 HydrophobicContact CG-CZ2 4.12Å; P390-W392 PolarHBondContact O-N 2.93Å; P390-W392 VanDerWaalsContact O-N 3.08Å; W392-R395 PolarHBondContact O-N 3.36Å; W392-Q396 WeakPolarHBondContact O-CG 3.49Å; W392-Q396 PolarHBondContact O-N 3.21Å
393	V	75.9	Confident	77.4	Confident	23 Å²	23	56.2 Å²	56.2	14%	0.139	28%	0.278	C	S	.	.	H	α-helix	trans	-65.2	-47.4	173.4	179.5	0	0	0	0	109	L389 P390 Y391 R395 Q396 Y397	L389-V393 HydrophobicContact CB-CB 4.23Å; L389-V393 HydrophobicContact CB-CG1 4.39Å; L389-V393 HydrophobicContact CB-CG2 4.34Å; L389-V393 HydrophobicContact CD1-CG1 4.15Å; P390-V393 HydrophobicContact CB-CG2 4.35Å; P390-V393 HydrophobicContact CG-CG2 4.44Å; P390-V393 VanDerWaalsContact O-CB 3.27Å; P390-V393 WeakPolarHBondContact O-CB 3.4Å; P390-V393 PolarHBondContact O-N 2.98Å; Y391-V393 PolarHBondContact O-N 2.87Å; V393-R395 VanDerWaalsContact C-N 3.33Å; V393-R395 PolarHBondContact O-N 3.19Å; V393-Q396 WeakPolarHBondContact O-CB 3.25Å; V393-Q396 PolarHBondContact O-N 3.26Å; V393-Q396 VanDerWaalsContact O-N 3.17Å; V393-Y397 HydrophobicContact CG1-CE2 4.43Å; V393-Y397 WeakPolarHBondContact O-CD2 3.46Å
394	Y	71.6	Confident	78.6	Confident	11 Å²	11	58 Å²	58	4%	0.043	29%	0.292	C	S	.	.	H	α-helix	trans	-60.9	-43.8	177.6	-58.2	-52.1	0	0	0	111.5	P179 L180 A380 A387 L389 Y391 Q396 Y397 D398	P179-Y394 HydrophobicContact CB-CD1 4.19Å; P179-Y394 HydrophobicContact CB-CG 4.46Å; P179-Y394 WeakPolarHBondContact CG-O 3.4Å; L180-Y394 HydrophobicContact CD1-CD1 3.6Å; L180-Y394 HydrophobicContact CD1-CD2 3.69Å; L180-Y394 HydrophobicContact CD1-CE1 3.42Å; L180-Y394 VanDerWaalsContact CD1-CE1 3.42Å; L180-Y394 HydrophobicContact CD1-CE2 3.49Å; L180-Y394 VanDerWaalsContact CD1-CE2 3.49Å; L180-Y394 HydrophobicContact CD1-CG 3.75Å; L180-Y394 HydrophobicContact CD2-CD1 3.58Å; L180-Y394 HydrophobicContact CD2-CE1 3.03Å; L180-Y394 HydrophobicContact CG-CD1 3.45Å; L180-Y394 VanDerWaalsContact CG-CD1 3.45Å; L180-Y394 HydrophobicContact CG-CD2 4.46Å; L180-Y394 HydrophobicContact CG-CE1 3.38Å; L180-Y394 HydrophobicContact CG-CE2 4.38Å; L180-Y394 HydrophobicContact CG-CG 4.04Å; A380-Y394 HydrophobicContact CB-CD2 4.35Å; A387-Y394 WeakPolarHBondContact CB-OH 3.44Å; L389-Y394 HydrophobicContact CB-CE1 4.22Å; L389-Y394 HydrophobicContact CB-CE2 4.26Å; L389-Y394 HydrophobicContact CD1-CE1 4.11Å; L389-Y394 WeakPolarHBondContact O-CE2 3.43Å; Y391-Y394 WeakPolarHBondContact O-CB 3.18Å; Y391-Y394 PolarHBondContact O-N 2.91Å; Y391-Y394 VanDerWaalsContact O-N 3.13Å; Y394-Q396 PolarHBondContact O-N 3.18Å; Y394-Y397 PolarHBondContact O-N 2.92Å; Y394-D398 PolarHBondContact O-N 2.62Å
395	R	75.6	Confident	79.7	Confident	65 Å²	65	54.9 Å²	54.9	25%	0.245	28%	0.28	C	S	.	.	H	α-helix	trans	-51.5	-35.2	176.9	-170.5	-170.7	-76.8	162.2	-12.9	112.7	D377 Y391 W392 V393 Y397 D398 Y401	D377-R395 IonicContact OD1-CZ 2.61Å; D377-R395 VanDerWaalsContact OD1-CZ 3.27Å; D377-R395 IonicContact OD1-NE 2.87Å; D377-R395 PolarHBondContact OD1-NE 3.42Å; D377-R395 IonicContact OD1-NH2 3.93Å; D377-R395 PolarHBondContact OD1-NH2 3.22Å; D377-R395 IonicContact OD2-CZ 3.34Å; D377-R395 IonicContact OD2-NE 2.6Å; D377-R395 IonicContact OD2-NH2 3.95Å; D377-R395 PolarHBondContact OD2-NH2 2.87Å; Y391-R395 PolarHBondContact O-N 3.43Å; Y391-R395 VanDerWaalsContact O-N 3.12Å; W392-R395 PolarHBondContact O-N 3.36Å; V393-R395 VanDerWaalsContact C-N 3.33Å; V393-R395 PolarHBondContact O-N 3.19Å; R395-Y397 PolarHBondContact O-N 3.4Å; R395-D398 WeakPolarHBondContact O-CB 3.33Å; R395-D398 PolarHBondContact O-N 3.06Å; R395-D398 VanDerWaalsContact O-N 3.13Å; R395-Y401 HydrophobicContact CG-CD1 3.96Å; R395-Y401 HydrophobicContact CG-CD2 3.65Å; R395-Y401 HydrophobicContact CG-CE1 4.29Å; R395-Y401 HydrophobicContact CG-CE2 4.01Å; R395-Y401 HydrophobicContact CG-CG 3.62Å; R395-Y401 WeakPolarHBondContact O-CD1 3.45Å
396	Q	78.5	Confident	80.8	Confident	75 Å²	75	50.8 Å²	50.8	35%	0.35	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-16.7	177.9	-64	-179.2	3.1	0	0	114.6	W392 V393 Y394 R459	W392-Q396 WeakPolarHBondContact O-CG 3.49Å; W392-Q396 PolarHBondContact O-N 3.21Å; V393-Q396 WeakPolarHBondContact O-CB 3.25Å; V393-Q396 PolarHBondContact O-N 3.26Å; V393-Q396 VanDerWaalsContact O-N 3.17Å; Y394-Q396 PolarHBondContact O-N 3.18Å; Q396-R459 VanDerWaalsContact O-CD 3.28Å; Q396-R459 WeakPolarHBondContact O-CD 3.37Å; Q396-R459 WeakPolarHBondContact O-CG 3.14Å; Q396-R459 PolarHBondContact O-NE 3Å
397	Y	80.5	Confident	81.9	Confident	78 Å²	78	45.7 Å²	45.7	31%	0.306	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	1.5	176.4	-65.2	-95.5	0	0	0	112.3	V393 Y394 R395 V455 R459	V393-Y397 HydrophobicContact CG1-CE2 4.43Å; V393-Y397 WeakPolarHBondContact O-CD2 3.46Å; Y394-Y397 PolarHBondContact O-N 2.92Å; R395-Y397 PolarHBondContact O-N 3.4Å; Y397-V455 HydrophobicContact CD1-CG1 3.99Å; Y397-V455 HydrophobicContact CG-CG1 4.43Å; Y397-V455 WeakPolarHBondContact O-CG1 3.43Å; Y397-R459 VanDerWaalsContact CZ-CZ 3.47Å; Y397-R459 PolarHBondContact OH-NH1 2.78Å
398	D	78.2	Confident	82.9	Confident	6 Å²	6	46.9 Å²	46.9	3%	0.032	24%	0.243	C	C	.	.			trans	-77.3	124.8	178.4	-176.8	73.1	0	0	0	110.7	P179 R376 Y394 R395 N400 Y401 L402	P179-D398 HydrophobicContact CG-CB 4.06Å; R376-D398 IonicContact CZ-OD1 3.13Å; R376-D398 IonicContact CZ-OD2 3.62Å; R376-D398 VanDerWaalsContact NE-CG 3.31Å; R376-D398 IonicContact NE-OD1 3.43Å; R376-D398 PolarHBondContact NE-OD1 2.98Å; R376-D398 IonicContact NE-OD2 3.52Å; R376-D398 PolarHBondContact NE-OD2 2.99Å; R376-D398 VanDerWaalsContact NE-OD2 3.16Å; R376-D398 IonicContact NH2-OD1 3.29Å; R376-D398 PolarHBondContact NH2-OD1 3.23Å; R376-D398 IonicContact NH2-OD2 2.69Å; Y394-D398 PolarHBondContact O-N 2.62Å; R395-D398 WeakPolarHBondContact O-CB 3.33Å; R395-D398 PolarHBondContact O-N 3.06Å; R395-D398 VanDerWaalsContact O-N 3.13Å; D398-N400 VanDerWaalsContact C-N 3.33Å; D398-N400 PolarHBondContact O-N 3.41Å; D398-N400 WeakPolarHBondContact OD2-CB 3.48Å; D398-N400 PolarHBondContact OD2-N 3.08Å; D398-N400 VanDerWaalsContact OD2-N 3.11Å; D398-Y401 PolarHBondContact O-N 3.36Å; D398-Y401 PolarHBondContact OD2-N 2.91Å; D398-L402 WeakPolarHBondContact O-CG 3.39Å; D398-L402 PolarHBondContact O-N 3.02Å
399	L	83.8	Confident	83.7	Confident	14 Å²	14	43.5 Å²	43.5	7%	0.073	21%	0.213	C	C	.	.	H	α-helix	trans	-66.5	-35.9	-174.1	-167.6	60.4	0	0	0	113	L402 V403 P424 A427 V455 L458	L399-L402 PolarHBondContact O-N 3.22Å; L399-V403 VanDerWaalsContact O-CG2 3.31Å; L399-V403 WeakPolarHBondContact O-CG2 3.25Å; L399-V403 PolarHBondContact O-N 2.88Å; L399-P424 HydrophobicContact CD2-CB 4Å; L399-P424 VanDerWaalsContact CD2-O 3.28Å; L399-P424 WeakPolarHBondContact CD2-O 3.23Å; L399-P424 HydrophobicContact CG-CB 4.01Å; L399-A427 HydrophobicContact CD1-CB 3.62Å; L399-A427 HydrophobicContact CD2-CB 3.78Å; L399-A427 HydrophobicContact CG-CB 4.03Å; L399-V455 HydrophobicContact CD1-CG2 4.3Å; L399-L458 HydrophobicContact CD1-CD1 3.48Å; L399-L458 VanDerWaalsContact CD1-CD1 3.48Å
400	N	84.3	Confident	84.7	Confident	34 Å²	34	39.7 Å²	39.7	18%	0.182	19%	0.193	C	C	.	.	H	α-helix	trans	-67.2	-44.9	177.7	-78.3	-102.5	0	0	0	110.4	R376 D398 A404 P424	R376-N400 PolarHBondContact NH1-ND2 2.83Å; R376-N400 VanDerWaalsContact NH1-ND2 3.14Å; R376-N400 PolarHBondContact NH2-ND2 3.23Å; D398-N400 VanDerWaalsContact C-N 3.33Å; D398-N400 PolarHBondContact O-N 3.41Å; D398-N400 WeakPolarHBondContact OD2-CB 3.48Å; D398-N400 PolarHBondContact OD2-N 3.08Å; D398-N400 VanDerWaalsContact OD2-N 3.11Å; N400-A404 VanDerWaalsContact O-CB 3.31Å; N400-A404 WeakPolarHBondContact O-CB 3.46Å; N400-A404 PolarHBondContact O-N 3.32Å; N400-P424 HydrophobicContact CB-CG 4.31Å; N400-P424 VanDerWaalsContact OD1-CG 3.32Å; N400-P424 WeakPolarHBondContact OD1-CG 3.4Å
401	Y	84.8	Confident	85.3	Confident	70 Å²	70	44.2 Å²	44.2	28%	0.275	21%	0.206	S	C	.	.	H	α-helix	trans	-59.7	-47	174.9	179.6	-99.7	0	0	0	112.1	R395 D398 A404 A405	R395-Y401 HydrophobicContact CG-CD1 3.96Å; R395-Y401 HydrophobicContact CG-CD2 3.65Å; R395-Y401 HydrophobicContact CG-CE1 4.29Å; R395-Y401 HydrophobicContact CG-CE2 4.01Å; R395-Y401 HydrophobicContact CG-CG 3.62Å; R395-Y401 WeakPolarHBondContact O-CD1 3.45Å; D398-Y401 PolarHBondContact O-N 3.36Å; D398-Y401 PolarHBondContact OD2-N 2.91Å; Y401-A404 PolarHBondContact O-N 2.97Å; Y401-A405 HydrophobicContact CE1-CB 4.47Å; Y401-A405 WeakPolarHBondContact O-CB 3.44Å; Y401-A405 PolarHBondContact O-N 3.41Å
402	L	90.1	Very high	86.4	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.016	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-45.8	-179.1	-73.1	169.8	0	0	0	112.4	D398 L399 A405 I406 V455 L458 R459 L462	D398-L402 WeakPolarHBondContact O-CG 3.39Å; D398-L402 PolarHBondContact O-N 3.02Å; L399-L402 PolarHBondContact O-N 3.22Å; L402-A405 PolarHBondContact O-N 3.12Å; L402-I406 WeakPolarHBondContact O-CB 3.32Å; L402-I406 WeakPolarHBondContact O-CD1 3.15Å; L402-I406 VanDerWaalsContact O-CG1 3.24Å; L402-I406 WeakPolarHBondContact O-CG1 3.5Å; L402-I406 PolarHBondContact O-N 3Å; L402-V455 HydrophobicContact CD1-CB 4.45Å; L402-V455 HydrophobicContact CD1-CG1 3.67Å; L402-L458 HydrophobicContact CB-CB 4.39Å; L402-L458 HydrophobicContact CD1-CB 4.25Å; L402-R459 HydrophobicContact CD1-CG 3.85Å; L402-R459 HydrophobicContact CD2-CG 3.74Å; L402-R459 HydrophobicContact CG-CG 4.45Å; L402-L462 HydrophobicContact CD2-CD2 3.97Å
403	V	91.3	Very high	87.2	Confident	3 Å²	3	40 Å²	40	2%	0.018	20%	0.197	C	C	.	.	H	α-helix	trans	-61.5	-48.3	177.5	171.6	0	0	0	0	110.4	L399 A405 I406 Q407 F430 L458	L399-V403 VanDerWaalsContact O-CG2 3.31Å; L399-V403 WeakPolarHBondContact O-CG2 3.25Å; L399-V403 PolarHBondContact O-N 2.88Å; V403-A405 PolarHBondContact O-N 2.96Å; V403-I406 PolarHBondContact O-N 3.11Å; V403-Q407 HydrophobicContact CG1-CG 4.44Å; V403-Q407 WeakPolarHBondContact O-CB 3.42Å; V403-Q407 VanDerWaalsContact O-CG 3.26Å; V403-Q407 WeakPolarHBondContact O-CG 3.17Å; V403-Q407 PolarHBondContact O-N 3.4Å; V403-F430 HydrophobicContact CG1-CD1 4.5Å; V403-F430 HydrophobicContact CG1-CE1 4.2Å; V403-F430 HydrophobicContact CG2-CD1 4.23Å; V403-F430 HydrophobicContact CG2-CE1 4.41Å; V403-L458 HydrophobicContact CG2-CD1 4.39Å
404	A	90.7	Very high	88	Confident	38 Å²	38	39.8 Å²	39.8	31%	0.314	20%	0.195	S	C	.	.	H	α-helix	trans	-63.8	-40.3	179.4	0	0	0	0	0	112.6	N400 Y401 Q407 A408	N400-A404 VanDerWaalsContact O-CB 3.31Å; N400-A404 WeakPolarHBondContact O-CB 3.46Å; N400-A404 PolarHBondContact O-N 3.32Å; Y401-A404 PolarHBondContact O-N 2.97Å; A404-Q407 PolarHBondContact O-N 2.95Å; A404-A408 WeakPolarHBondContact O-CB 3.44Å; A404-A408 PolarHBondContact O-N 3.23Å
405	A	93	Very high	89	Confident	13 Å²	13	41.5 Å²	41.5	11%	0.107	21%	0.205	C	C	.	.	H	α-helix	trans	-63.9	-47.2	177.1	0	0	0	0	0	111.3	Y401 L402 V403 Q407 A408 E409 L462	Y401-A405 HydrophobicContact CE1-CB 4.47Å; Y401-A405 WeakPolarHBondContact O-CB 3.44Å; Y401-A405 PolarHBondContact O-N 3.41Å; L402-A405 PolarHBondContact O-N 3.12Å; V403-A405 PolarHBondContact O-N 2.96Å; A405-Q407 VanDerWaalsContact C-N 3.32Å; A405-Q407 PolarHBondContact O-N 3.2Å; A405-A408 PolarHBondContact O-N 3.24Å; A405-E409 VanDerWaalsContact O-CG 3.22Å; A405-E409 WeakPolarHBondContact O-CG 3.47Å; A405-E409 PolarHBondContact O-N 3.22Å; A405-L462 HydrophobicContact CB-CD1 4.27Å; A405-L462 HydrophobicContact CB-CD2 3.95Å
406	I	95.9	Very high	90	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.6	-44.1	176.4	-69.3	167.4	0	0	0	110.7	L402 V403 A408 E409 L410 F430 L434 L458 L462 I465	L402-I406 WeakPolarHBondContact O-CB 3.32Å; L402-I406 WeakPolarHBondContact O-CD1 3.15Å; L402-I406 VanDerWaalsContact O-CG1 3.24Å; L402-I406 WeakPolarHBondContact O-CG1 3.5Å; L402-I406 PolarHBondContact O-N 3Å; V403-I406 PolarHBondContact O-N 3.11Å; I406-A408 PolarHBondContact O-N 3.14Å; I406-E409 PolarHBondContact O-N 3.44Å; I406-L410 HydrophobicContact CG2-CD1 3.74Å; I406-L410 HydrophobicContact CG2-CG 4.33Å; I406-L410 WeakPolarHBondContact O-CB 2.93Å; I406-L410 WeakPolarHBondContact O-CG 3.5Å; I406-L410 PolarHBondContact O-N 3.47Å; I406-F430 HydrophobicContact CB-CE1 4.31Å; I406-F430 HydrophobicContact CB-CZ 4.31Å; I406-F430 HydrophobicContact CG2-CE1 3.95Å; I406-F430 HydrophobicContact CG2-CE2 4.48Å; I406-F430 HydrophobicContact CG2-CZ 3.52Å; I406-L434 HydrophobicContact CD1-CD1 4Å; I406-L434 HydrophobicContact CG2-CD1 3.93Å; I406-L434 HydrophobicContact CG2-CD2 3.95Å; I406-L458 HydrophobicContact CD1-CB 4.15Å; I406-L458 HydrophobicContact CD1-CD2 3.75Å; I406-L458 HydrophobicContact CD1-CG 4.49Å; I406-L462 HydrophobicContact CD1-CB 4.3Å; I406-L462 HydrophobicContact CG1-CB 3.88Å; I406-L462 HydrophobicContact CG1-CD1 3.85Å; I406-L462 HydrophobicContact CG1-CG 4.33Å; I406-I465 HydrophobicContact CB-CD1 4.46Å; I406-I465 HydrophobicContact CG1-CD1 4.3Å; I406-I465 HydrophobicContact CG2-CD1 3.73Å
407	Q	95.1	Very high	90.7	Very high	37 Å²	37	34.9 Å²	34.9	17%	0.173	18%	0.177	C	C	.	.	H	α-helix	trans	-58.5	-47.2	177.9	-77.2	172.4	-36.3	0	0	111.8	V403 A404 A405 L410 Y411 V419 W422	V403-Q407 HydrophobicContact CG1-CG 4.44Å; V403-Q407 WeakPolarHBondContact O-CB 3.42Å; V403-Q407 VanDerWaalsContact O-CG 3.26Å; V403-Q407 WeakPolarHBondContact O-CG 3.17Å; V403-Q407 PolarHBondContact O-N 3.4Å; A404-Q407 PolarHBondContact O-N 2.95Å; A405-Q407 VanDerWaalsContact C-N 3.32Å; A405-Q407 PolarHBondContact O-N 3.2Å; Q407-L410 PolarHBondContact O-N 3.46Å; Q407-Y411 VanDerWaalsContact O-CB 3.28Å; Q407-Y411 WeakPolarHBondContact O-CB 3.43Å; Q407-Y411 PolarHBondContact O-N 2.63Å; Q407-V419 HydrophobicContact CB-CG2 3.94Å; Q407-V419 HydrophobicContact CG-CB 4.01Å; Q407-V419 HydrophobicContact CG-CG2 3.89Å; Q407-V419 PolarHBondContact NE2-O 2.91Å; Q407-W422 PolarHBondContact NE2-O 2.94Å
408	A	93.9	Very high	91	Very high	52 Å²	52	36 Å²	36	43%	0.43	19%	0.185	S	C	.	.	H	α-helix	trans	-62.5	-44.6	178.9	0	0	0	0	0	112.3	A404 A405 I406 Y411 N412	A404-A408 WeakPolarHBondContact O-CB 3.44Å; A404-A408 PolarHBondContact O-N 3.23Å; A405-A408 PolarHBondContact O-N 3.24Å; I406-A408 PolarHBondContact O-N 3.14Å; A408-Y411 PolarHBondContact O-N 3.4Å; A408-N412 WeakPolarHBondContact O-CB 3.11Å; A408-N412 PolarHBondContact O-N 3.16Å; A408-N412 PolarHBondContact O-ND2 3.34Å
409	E	94.8	Very high	91.6	Very high	51 Å²	51	35.9 Å²	35.9	24%	0.238	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-42.9	179.4	-62.5	-76.7	-174.7	0	0	111.8	A405 I406 N412 W413 L462 I465 R466	A405-E409 VanDerWaalsContact O-CG 3.22Å; A405-E409 WeakPolarHBondContact O-CG 3.47Å; A405-E409 PolarHBondContact O-N 3.22Å; I406-E409 PolarHBondContact O-N 3.44Å; E409-N412 WeakPolarHBondContact O-CB 3.32Å; E409-N412 PolarHBondContact O-N 3.22Å; E409-W413 PolarHBondContact O-N 2.86Å; E409-W413 VanDerWaalsContact O-N 3.1Å; E409-L462 HydrophobicContact CG-CD1 4.03Å; E409-I465 HydrophobicContact CB-CG2 3.53Å; E409-I465 HydrophobicContact CG-CG2 4.34Å; E409-R466 HydrophobicContact CG-CG 4.44Å; E409-R466 IonicContact OE1-CZ 3.04Å; E409-R466 IonicContact OE1-NE 2.72Å; E409-R466 PolarHBondContact OE1-NE 2.76Å; E409-R466 IonicContact OE1-NH2 3.27Å
410	L	95.1	Very high	91.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-71.3	-36.4	178.8	-68.1	175.9	0	0	0	112.7	I406 Q407 N412 W413 N414 W417 V419 L434 L438 I465	I406-L410 HydrophobicContact CG2-CD1 3.74Å; I406-L410 HydrophobicContact CG2-CG 4.33Å; I406-L410 WeakPolarHBondContact O-CB 2.93Å; I406-L410 WeakPolarHBondContact O-CG 3.5Å; I406-L410 PolarHBondContact O-N 3.47Å; Q407-L410 PolarHBondContact O-N 3.46Å; L410-N412 VanDerWaalsContact C-N 3.26Å; L410-N412 PolarHBondContact O-N 3.43Å; L410-W413 HydrophobicContact CD2-CD2 4.12Å; L410-W413 HydrophobicContact CD2-CE3 3.9Å; L410-W413 HydrophobicContact CD2-CZ3 4.13Å; L410-W413 WeakPolarHBondContact O-CB 3.43Å; L410-W413 PolarHBondContact O-N 2.87Å; L410-W413 VanDerWaalsContact O-N 3.12Å; L410-N414 PolarHBondContact O-N 3.5Å; L410-N414 VanDerWaalsContact O-N 3.12Å; L410-W417 HydrophobicContact CB-CB 4.47Å; L410-W417 HydrophobicContact CB-CD2 4.23Å; L410-W417 HydrophobicContact CB-CE3 4.25Å; L410-W417 HydrophobicContact CB-CG 4.33Å; L410-W417 HydrophobicContact CD1-CE3 3.73Å; L410-W417 HydrophobicContact CD1-CZ3 3.97Å; L410-W417 HydrophobicContact CD2-CD2 4.06Å; L410-W417 HydrophobicContact CD2-CE3 3.8Å; L410-W417 HydrophobicContact CD2-CH2 3.94Å; L410-W417 HydrophobicContact CD2-CZ2 4.14Å; L410-W417 HydrophobicContact CD2-CZ3 3.76Å; L410-W417 HydrophobicContact CG-CE3 4.14Å; L410-W417 HydrophobicContact CG-CZ3 4.43Å; L410-V419 HydrophobicContact CB-CG1 4.36Å; L410-V419 HydrophobicContact CD1-CG1 4Å; L410-L434 HydrophobicContact CD1-CD2 3.61Å; L410-L438 HydrophobicContact CD2-CD2 4.02Å; L410-I465 HydrophobicContact CD1-CD1 4.25Å; L410-I465 HydrophobicContact CD2-CD1 4.03Å; L410-I465 HydrophobicContact CD2-CG1 4.15Å; L410-I465 HydrophobicContact CD2-CG2 4.26Å; L410-I465 HydrophobicContact CG-CD1 4.07Å
411	Y	92.8	Very high	92	Very high	139 Å²	139	42.7 Å²	42.7	55%	0.545	22%	0.218	S	C	.	.	H	α-helix	trans	-61.8	-37.8	171.4	-175.3	-88.6	0	0	0	111.3	Q407 A408 W413 N414 D415	Q407-Y411 VanDerWaalsContact O-CB 3.28Å; Q407-Y411 WeakPolarHBondContact O-CB 3.43Å; Q407-Y411 PolarHBondContact O-N 2.63Å; A408-Y411 PolarHBondContact O-N 3.4Å; Y411-W413 VanDerWaalsContact C-N 3.27Å; Y411-W413 PolarHBondContact O-N 2.9Å; Y411-N414 CarbonylContact O-C 3.54Å; Y411-N414 PolarHBondContact O-N 3.25Å; Y411-D415 HydrophobicContact CE2-CB 4.08Å
412	N	92	Very high	92.2	Very high	110 Å²	110	39.6 Å²	39.6	59%	0.588	21%	0.206	S	C	*	.	H	α-helix	trans	-68.5	-23.3	174.3	-70.5	-21.8	0	0	0	113.4	A408 E409 L410	A408-N412 WeakPolarHBondContact O-CB 3.11Å; A408-N412 PolarHBondContact O-N 3.16Å; A408-N412 PolarHBondContact O-ND2 3.34Å; E409-N412 WeakPolarHBondContact O-CB 3.32Å; E409-N412 PolarHBondContact O-N 3.22Å; L410-N412 VanDerWaalsContact C-N 3.26Å; L410-N412 PolarHBondContact O-N 3.43Å
413	W	93	Very high	92.1	Very high	17 Å²	17	42.3 Å²	42.3	6%	0.064	22%	0.221	C	C	.	.	H	α-helix	trans	-69.6	-58.8	169	-69.3	13.2	0	0	0	109.3	E409 L410 Y411 W417 L438 P439 I465 S468 N483 Q484 I486	E409-W413 PolarHBondContact O-N 2.86Å; E409-W413 VanDerWaalsContact O-N 3.1Å; L410-W413 HydrophobicContact CD2-CD2 4.12Å; L410-W413 HydrophobicContact CD2-CE3 3.9Å; L410-W413 HydrophobicContact CD2-CZ3 4.13Å; L410-W413 WeakPolarHBondContact O-CB 3.43Å; L410-W413 PolarHBondContact O-N 2.87Å; L410-W413 VanDerWaalsContact O-N 3.12Å; Y411-W413 VanDerWaalsContact C-N 3.27Å; Y411-W413 PolarHBondContact O-N 2.9Å; W413-W417 HydrophobicContact CE3-CH2 4.36Å; W413-W417 AromaticContact CE3-CZ2 3.6Å; W413-W417 HydrophobicContact CE3-CZ2 3.6Å; W413-W417 HydrophobicContact CZ3-CH2 4.18Å; W413-W417 AromaticContact CZ3-CZ2 3.77Å; W413-W417 HydrophobicContact CZ3-CZ2 3.77Å; W413-L438 HydrophobicContact CH2-CD2 4.03Å; W413-L438 HydrophobicContact CZ3-CD2 4.06Å; W413-P439 HydrophobicContact CH2-CG 4.39Å; W413-P439 HydrophobicContact CZ3-CG 4.48Å; W413-I465 HydrophobicContact CZ2-CB 4.24Å; W413-I465 HydrophobicContact CZ2-CG2 3.74Å; W413-I465 WeakPolarHBondContact CZ2-O 3.36Å; W413-S468 WeakPolarHBondContact CZ2-O 3.31Å; W413-N483 HydrophobicContact CD2-CB 3.97Å; W413-N483 VanDerWaalsContact CE2-ND2 3.34Å; W413-N483 HydrophobicContact CE3-CB 4.25Å; W413-N483 HydrophobicContact CG-CB 4.44Å; W413-N483 HydrophobicContact CH2-CB 4.33Å; W413-N483 HydrophobicContact CZ2-CB 4.03Å; W413-N483 HydrophobicContact CZ3-CB 4.44Å; W413-N483 PolarHBondContact NE1-ND2 2.87Å; W413-Q484 VanDerWaalsContact O-CA 3.24Å; W413-Q484 WeakPolarHBondContact O-CA 3.36Å; W413-I486 HydrophobicContact CE3-CD1 4.41Å; W413-I486 HydrophobicContact CZ3-CD1 4.02Å
414	N	92.9	Very high	91.8	Very high	19 Å²	19	43.8 Å²	43.8	10%	0.102	23%	0.231	C	C	.	.			trans	-165.8	143.8	180	-170.2	-81.7	0	0	0	110.7	I19 L410 Y411 T416 W417	I19-N414 PolarHBondContact O-ND2 3.15Å; L410-N414 PolarHBondContact O-N 3.5Å; L410-N414 VanDerWaalsContact O-N 3.12Å; Y411-N414 CarbonylContact O-C 3.54Å; Y411-N414 PolarHBondContact O-N 3.25Å; N414-T416 PolarHBondContact O-N 3.05Å; N414-T416 WeakPolarHBondContact OD1-CB 3.11Å; N414-T416 WeakPolarHBondContact OD1-CG2 3.47Å; N414-T416 PolarHBondContact OD1-N 2.66Å; N414-T416 PolarHBondContact OD1-OG1 3.03Å; N414-W417 VanDerWaalsContact O-CD1 3.23Å; N414-W417 PolarHBondContact O-N 3.2Å
415	D	93.5	Very high	91.5	Very high	47 Å²	47	49.9 Å²	49.9	25%	0.251	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-70	-17.1	-178.6	68.8	-17.6	0	0	0	113.9	C20 A21 Y411 W417 Q418	C20-D415 WeakPolarHBondContact CA-OD1 3.37Å; A21-D415 HydrophobicContact CB-CB 4.41Å; A21-D415 WeakPolarHBondContact CB-OD2 3Å; A21-D415 VanDerWaalsContact N-CG 3.3Å; A21-D415 PolarHBondContact N-OD1 2.9Å; A21-D415 PolarHBondContact N-OD2 3.37Å; A21-D415 VanDerWaalsContact N-OD2 3.1Å; Y411-D415 HydrophobicContact CE2-CB 4.08Å; D415-W417 PolarHBondContact O-N 2.83Å; D415-W417 VanDerWaalsContact O-N 3.15Å; D415-Q418 PolarHBondContact O-N 2.76Å
416	T	94.7	Very high	91.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-63.9	-18.7	178.6	61.6	0	0	0	0	114.1	A21 I24 R28 N414 Q418 I487 C488	A21-T416 HydrophobicContact CB-CG2 4.18Å; I24-T416 HydrophobicContact CD1-CG2 3.48Å; I24-T416 VanDerWaalsContact CD1-CG2 3.48Å; R28-T416 PolarHBondContact NH1-O 2.91Å; R28-T416 PolarHBondContact NH2-O 2.89Å; N414-T416 PolarHBondContact O-N 3.05Å; N414-T416 WeakPolarHBondContact OD1-CB 3.11Å; N414-T416 WeakPolarHBondContact OD1-CG2 3.47Å; N414-T416 PolarHBondContact OD1-N 2.66Å; N414-T416 PolarHBondContact OD1-OG1 3.03Å; T416-Q418 PolarHBondContact O-N 3.27Å; T416-I487 WeakPolarHBondContact OG1-CA 3.3Å; T416-C488 WeakPolarHBondContact O-CB 3.48Å; T416-C488 PolarHBondContact OG1-N 2.93Å
417	W	94.1	Very high	91.1	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.008	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-59.7	-29.6	177.4	-78.1	77.9	0	0	0	113	L410 W413 N414 D415 V419 W433 N437 L438 I486	L410-W417 HydrophobicContact CB-CB 4.47Å; L410-W417 HydrophobicContact CB-CD2 4.23Å; L410-W417 HydrophobicContact CB-CE3 4.25Å; L410-W417 HydrophobicContact CB-CG 4.33Å; L410-W417 HydrophobicContact CD1-CE3 3.73Å; L410-W417 HydrophobicContact CD1-CZ3 3.97Å; L410-W417 HydrophobicContact CD2-CD2 4.06Å; L410-W417 HydrophobicContact CD2-CE3 3.8Å; L410-W417 HydrophobicContact CD2-CH2 3.94Å; L410-W417 HydrophobicContact CD2-CZ2 4.14Å; L410-W417 HydrophobicContact CD2-CZ3 3.76Å; L410-W417 HydrophobicContact CG-CE3 4.14Å; L410-W417 HydrophobicContact CG-CZ3 4.43Å; W413-W417 HydrophobicContact CE3-CH2 4.36Å; W413-W417 AromaticContact CE3-CZ2 3.6Å; W413-W417 HydrophobicContact CE3-CZ2 3.6Å; W413-W417 HydrophobicContact CZ3-CH2 4.18Å; W413-W417 AromaticContact CZ3-CZ2 3.77Å; W413-W417 HydrophobicContact CZ3-CZ2 3.77Å; N414-W417 VanDerWaalsContact O-CD1 3.23Å; N414-W417 PolarHBondContact O-N 3.2Å; D415-W417 PolarHBondContact O-N 2.83Å; D415-W417 VanDerWaalsContact O-N 3.15Å; W417-V419 HydrophobicContact CB-CG1 4Å; W417-V419 PolarHBondContact O-N 2.71Å; W417-W433 AromaticContact CE3-CH2 3.55Å; W417-W433 HydrophobicContact CE3-CH2 3.55Å; W417-W433 AromaticContact CE3-CZ3 3.89Å; W417-W433 HydrophobicContact CE3-CZ3 3.89Å; W417-W433 AromaticContact CZ3-CH2 3.83Å; W417-W433 HydrophobicContact CZ3-CH2 3.83Å; W417-W433 AromaticContact CZ3-CZ3 3.92Å; W417-W433 HydrophobicContact CZ3-CZ3 3.92Å; W417-N437 HydrophobicContact CH2-CB 4.39Å; W417-N437 HydrophobicContact CZ3-CB 4.16Å; W417-L438 HydrophobicContact CH2-CD2 4Å; W417-L438 HydrophobicContact CZ3-CD2 4.37Å; W417-I486 HydrophobicContact CZ2-CB 4.38Å; W417-I486 HydrophobicContact CZ2-CG2 3.7Å; W417-I486 PolarHBondContact NE1-O 3.43Å; W417-I486 VanDerWaalsContact NE1-O 3.11Å
418	Q	87.2	Confident	91	Very high	102 Å²	102	50.9 Å²	50.9	48%	0.477	26%	0.258	S	S	.	.			trans	45.8	55.7	175.5	-64.9	-178.5	8.2	0	0	112.8	R28 D415 T416 K421	R28-Q418 VanDerWaalsContact NH1-CD 3.3Å; R28-Q418 VanDerWaalsContact NH1-NE2 3.13Å; D415-Q418 PolarHBondContact O-N 2.76Å; T416-Q418 PolarHBondContact O-N 3.27Å; Q418-K421 WeakPolarHBondContact O-CD 3.35Å
419	V	90.7	Very high	90.9	Very high	3 Å²	3	49 Å²	49	2%	0.018	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-87.5	-3.8	-170.7	-72.2	0	0	0	0	114.3	Q407 L410 W417 K421 W422 W433	Q407-V419 HydrophobicContact CB-CG2 3.94Å; Q407-V419 HydrophobicContact CG-CB 4.01Å; Q407-V419 HydrophobicContact CG-CG2 3.89Å; Q407-V419 PolarHBondContact NE2-O 2.91Å; L410-V419 HydrophobicContact CB-CG1 4.36Å; L410-V419 HydrophobicContact CD1-CG1 4Å; W417-V419 HydrophobicContact CB-CG1 4Å; W417-V419 PolarHBondContact O-N 2.71Å; V419-K421 PolarHBondContact O-N 3.07Å; V419-K421 VanDerWaalsContact O-N 3.11Å; V419-W422 PolarHBondContact O-N 3.11Å; V419-W422 VanDerWaalsContact O-N 3.08Å; V419-W433 HydrophobicContact CG1-CH2 4.34Å; V419-W433 HydrophobicContact CG1-CZ3 4.26Å
420	D	87.9	Confident	90.9	Very high	133 Å²	133	46.5 Å²	46.5	71%	0.711	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-61.5	-22.1	-177.9	-57.8	-27.7	0	0	0	113.8	W422	D420-W422 PolarHBondContact O-N 3.48Å
421	K	88	Confident	90.9	Very high	57 Å²	57	46.5 Å²	46.5	25%	0.248	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-66.4	-23.1	177	75	-150.6	-160.9	179.8	0	113.2	F252 Q418 V419	F252-K421 HydrophobicContact CD1-CD 4.47Å; F252-K421 HydrophobicContact CE1-CB 4.27Å; F252-K421 HydrophobicContact CE1-CD 3.4Å; F252-K421 VanDerWaalsContact CE1-CE 3.43Å; F252-K421 HydrophobicContact CE1-CG 3.88Å; F252-K421 HydrophobicContact CE2-CB 3.89Å; F252-K421 HydrophobicContact CE2-CD 4.41Å; F252-K421 HydrophobicContact CE2-CG 4.41Å; F252-K421 HydrophobicContact CZ-CB 3.69Å; F252-K421 HydrophobicContact CZ-CD 3.39Å; F252-K421 HydrophobicContact CZ-CG 3.8Å; Q418-K421 WeakPolarHBondContact O-CD 3.35Å; V419-K421 PolarHBondContact O-N 3.07Å; V419-K421 VanDerWaalsContact O-N 3.11Å
422	W	90.2	Very high	91.1	Very high	5 Å²	5	40.6 Å²	40.6	2%	0.019	21%	0.207	C	C	.	.			trans	-83	132.8	-177	-60.8	115.2	0	0	0	110.3	F255 Q407 V419 D420 L426 P429 F430 W433	F255-W422 AromaticContact CD2-CH2 3.83Å; F255-W422 HydrophobicContact CD2-CH2 3.83Å; F255-W422 HydrophobicContact CD2-CZ3 4.44Å; F255-W422 AromaticContact CE2-CH2 3.96Å; F255-W422 HydrophobicContact CE2-CH2 3.96Å; F255-W422 HydrophobicContact CG-CH2 4.3Å; Q407-W422 PolarHBondContact NE2-O 2.94Å; V419-W422 PolarHBondContact O-N 3.11Å; V419-W422 VanDerWaalsContact O-N 3.08Å; D420-W422 PolarHBondContact O-N 3.48Å; W422-L426 HydrophobicContact CE3-CB 3.94Å; W422-L426 HydrophobicContact CE3-CD1 4.31Å; W422-L426 HydrophobicContact CZ3-CB 4.29Å; W422-P429 HydrophobicContact CZ3-CB 4.21Å; W422-P429 HydrophobicContact CZ3-CG 4.33Å; W422-F430 HydrophobicContact CB-CB 4.45Å; W422-F430 HydrophobicContact CB-CD1 4.06Å; W422-F430 HydrophobicContact CB-CD2 3.97Å; W422-F430 HydrophobicContact CB-CE1 4.22Å; W422-F430 HydrophobicContact CB-CE2 4.14Å; W422-F430 HydrophobicContact CB-CG 3.91Å; W422-F430 HydrophobicContact CB-CZ 4.24Å; W422-F430 AromaticContact CD1-CD2 3.39Å; W422-F430 AromaticContact CD1-CE2 3.29Å; W422-F430 HydrophobicContact CD2-CB 3.8Å; W422-F430 AromaticContact CD2-CD2 3.43Å; W422-F430 HydrophobicContact CD2-CD2 3.43Å; W422-F430 VanDerWaalsContact CD2-CD2 3.43Å; W422-F430 HydrophobicContact CD2-CE2 4.16Å; W422-F430 AromaticContact CD2-CG 3.78Å; W422-F430 HydrophobicContact CD2-CG 3.78Å; W422-F430 AromaticContact CE2-CD2 3.56Å; W422-F430 HydrophobicContact CE3-CB 3.55Å; W422-F430 HydrophobicContact CE3-CD2 4.11Å; W422-F430 HydrophobicContact CE3-CG 4.07Å; W422-F430 HydrophobicContact CG-CB 4.21Å; W422-F430 HydrophobicContact CG-CD1 4.32Å; W422-F430 AromaticContact CG-CD2 3.33Å; W422-F430 HydrophobicContact CG-CD2 3.33Å; W422-F430 AromaticContact CG-CE2 3.62Å; W422-F430 HydrophobicContact CG-CE2 3.62Å; W422-F430 AromaticContact CG-CG 3.71Å; W422-F430 HydrophobicContact CG-CG 3.71Å; W422-F430 HydrophobicContact CG-CZ 4.21Å; W422-F430 HydrophobicContact CZ2-CD2 4.32Å; W422-F430 HydrophobicContact CZ3-CB 4.02Å; W422-F430 AromaticContact NE1-CD2 3.5Å; W422-F430 AromaticContact NE1-CE2 3.62Å; W422-W433 HydrophobicContact CH2-CB 4.01Å; W422-W433 HydrophobicContact CH2-CG 4.18Å; W422-W433 HydrophobicContact CZ2-CB 3.73Å; W422-W433 AromaticContact CZ2-CD1 3.85Å; W422-W433 AromaticContact CZ2-CD2 3.81Å; W422-W433 HydrophobicContact CZ2-CD2 3.81Å; W422-W433 HydrophobicContact CZ2-CE3 4.39Å; W422-W433 AromaticContact CZ2-CG 3.48Å; W422-W433 HydrophobicContact CZ2-CG 3.48Å; W422-W433 VanDerWaalsContact CZ2-CG 3.48Å; W422-W433 AromaticContact NE1-CE3 3.88Å
423	N	87	Confident	91.3	Very high	60 Å²	60	35.5 Å²	35.5	32%	0.321	18%	0.179	S	C	.	.			trans	-131.7	168.1	175.4	66.7	48.8	0	0	0	109	E425 L426 A427	N423-E425 PolarHBondContact O-N 3.3Å; N423-E425 WeakPolarHBondContact OD1-CA 3.32Å; N423-E425 VanDerWaalsContact OD1-CB 3.28Å; N423-E425 WeakPolarHBondContact OD1-CB 3.2Å; N423-E425 PolarHBondContact OD1-N 2.78Å; N423-L426 CarbonylContact O-C 3.52Å; N423-L426 WeakPolarHBondContact O-CA 3.42Å; N423-L426 PolarHBondContact O-N 2.91Å; N423-L426 PolarHBondContact OD1-N 2.91Å; N423-L426 VanDerWaalsContact OD1-N 3.15Å; N423-A427 PolarHBondContact O-N 3.11Å
424	P	85.9	Confident	91.5	Very high	35 Å²	35	34.7 Å²	34.7	23%	0.227	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-57.5	-29.1	-179.2	-26.7	35.4	0	0	0	114.7	L399 N400 L426 A427	L399-P424 HydrophobicContact CD2-CB 4Å; L399-P424 VanDerWaalsContact CD2-O 3.28Å; L399-P424 WeakPolarHBondContact CD2-O 3.23Å; L399-P424 HydrophobicContact CG-CB 4.01Å; N400-P424 HydrophobicContact CB-CG 4.31Å; N400-P424 VanDerWaalsContact OD1-CG 3.32Å; N400-P424 WeakPolarHBondContact OD1-CG 3.4Å; P424-L426 PolarHBondContact O-N 3.09Å; P424-A427 WeakPolarHBondContact O-CB 3.43Å; P424-A427 PolarHBondContact O-N 3.28Å
425	E	83.6	Confident	91.6	Very high	166 Å²	166	33.8 Å²	33.8	78%	0.776	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-68.6	-26.1	176.3	-52.8	-173.8	152.9	0	0	111.8	N423	N423-E425 PolarHBondContact O-N 3.3Å; N423-E425 WeakPolarHBondContact OD1-CA 3.32Å; N423-E425 VanDerWaalsContact OD1-CB 3.28Å; N423-E425 WeakPolarHBondContact OD1-CB 3.2Å; N423-E425 PolarHBondContact OD1-N 2.78Å
426	L	89.4	Confident	91.7	Very high	46 Å²	46	31.8 Å²	31.8	24%	0.241	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-95.6	17.9	175.9	-60.9	177.7	0	0	0	112.9	W422 N423 P424 V428 P429 F430	W422-L426 HydrophobicContact CE3-CB 3.94Å; W422-L426 HydrophobicContact CE3-CD1 4.31Å; W422-L426 HydrophobicContact CZ3-CB 4.29Å; N423-L426 CarbonylContact O-C 3.52Å; N423-L426 WeakPolarHBondContact O-CA 3.42Å; N423-L426 PolarHBondContact O-N 2.91Å; N423-L426 PolarHBondContact OD1-N 2.91Å; N423-L426 VanDerWaalsContact OD1-N 3.15Å; P424-L426 PolarHBondContact O-N 3.09Å; L426-V428 VanDerWaalsContact C-N 3.31Å; L426-V428 PolarHBondContact O-N 3.01Å; L426-P429 HydrophobicContact CB-CG 4.16Å; L426-P429 HydrophobicContact CD2-CG 4.31Å; L426-P429 WeakPolarHBondContact O-CD 3.42Å; L426-P429 VanDerWaalsContact O-CG 3.25Å; L426-P429 WeakPolarHBondContact O-CG 3.28Å; L426-F430 WeakPolarHBondContact O-CB 3.44Å; L426-F430 PolarHBondContact O-N 2.78Å
427	A	91	Very high	91.7	Very high	4 Å²	4	31.8 Å²	31.8	3%	0.033	16%	0.161	C	C	.	.	H	α-helix	trans	-58.1	-39.5	-175.8	0	0	0	0	0	114.2	L399 N423 P424 F430 S431 V454 L458	L399-A427 HydrophobicContact CD1-CB 3.62Å; L399-A427 HydrophobicContact CD2-CB 3.78Å; L399-A427 HydrophobicContact CG-CB 4.03Å; N423-A427 PolarHBondContact O-N 3.11Å; P424-A427 WeakPolarHBondContact O-CB 3.43Å; P424-A427 PolarHBondContact O-N 3.28Å; A427-F430 PolarHBondContact O-N 2.77Å; A427-S431 WeakPolarHBondContact O-CB 3.38Å; A427-S431 PolarHBondContact O-N 2.97Å; A427-S431 PolarHBondContact O-OG 2.67Å; A427-V454 VanDerWaalsContact C-CG2 3.46Å; A427-V454 HydrophobicContact CB-CG2 3.75Å; A427-V454 WeakPolarHBondContact O-CG2 3.19Å; A427-L458 HydrophobicContact CB-CD1 4.04Å
428	V	92.3	Very high	91.7	Very high	20 Å²	20	31.7 Å²	31.7	12%	0.121	16%	0.16	C	C	.	.	H	α-helix	trans	-61.6	-60.2	178.6	167.9	0	0	0	0	110.6	E168 L426 F430 S431 Y432 V454	E168-V428 HydrophobicContact CG-CB 4.39Å; E168-V428 HydrophobicContact CG-CG1 3.63Å; E168-V428 HydrophobicContact CG-CG2 3.81Å; L426-V428 VanDerWaalsContact C-N 3.31Å; L426-V428 PolarHBondContact O-N 3.01Å; V428-F430 VanDerWaalsContact C-N 3.28Å; V428-F430 PolarHBondContact O-N 3.11Å; V428-S431 PolarHBondContact O-N 3.19Å; V428-S431 VanDerWaalsContact O-N 3.16Å; V428-S431 PolarHBondContact O-OG 3.31Å; V428-Y432 HydrophobicContact CG1-CD2 4.1Å; V428-Y432 HydrophobicContact CG1-CE2 3.77Å; V428-Y432 WeakPolarHBondContact O-CD2 3.47Å; V428-Y432 PolarHBondContact O-N 3.4Å; V428-V454 HydrophobicContact CG2-CB 4.03Å; V428-V454 HydrophobicContact CG2-CG1 4.49Å; V428-V454 HydrophobicContact CG2-CG2 3.99Å
429	P	92.7	Very high	91.6	Very high	12 Å²	12	27 Å²	27	8%	0.078	14%	0.138	C	C	.	.	H	α-helix	trans	-64	-33	178	21.6	-31.6	0	0	0	113.3	F255 W422 L426 S431 Y432 W433	F255-P429 HydrophobicContact CB-CB 3.44Å; F255-P429 VanDerWaalsContact CB-CB 3.44Å; F255-P429 HydrophobicContact CB-CG 4Å; F255-P429 HydrophobicContact CD1-CB 3.87Å; F255-P429 HydrophobicContact CG-CB 3.82Å; F255-P429 WeakPolarHBondContact O-CB 3.38Å; F255-P429 WeakPolarHBondContact O-CG 3.34Å; W422-P429 HydrophobicContact CZ3-CB 4.21Å; W422-P429 HydrophobicContact CZ3-CG 4.33Å; L426-P429 HydrophobicContact CB-CG 4.16Å; L426-P429 HydrophobicContact CD2-CG 4.31Å; L426-P429 WeakPolarHBondContact O-CD 3.42Å; L426-P429 VanDerWaalsContact O-CG 3.25Å; L426-P429 WeakPolarHBondContact O-CG 3.28Å; P429-S431 VanDerWaalsContact C-N 3.31Å; P429-S431 PolarHBondContact O-N 2.88Å; P429-Y432 PolarHBondContact O-N 2.65Å; P429-W433 WeakPolarHBondContact O-CB 3.23Å; P429-W433 PolarHBondContact O-N 2.95Å
430	F	95.1	Very high	91.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.6	-44	174.1	-177.3	-147.6	0	0	0	111.4	V403 I406 W422 L426 A427 V428 Y432 W433 L434 L458	V403-F430 HydrophobicContact CG1-CD1 4.5Å; V403-F430 HydrophobicContact CG1-CE1 4.2Å; V403-F430 HydrophobicContact CG2-CD1 4.23Å; V403-F430 HydrophobicContact CG2-CE1 4.41Å; I406-F430 HydrophobicContact CB-CE1 4.31Å; I406-F430 HydrophobicContact CB-CZ 4.31Å; I406-F430 HydrophobicContact CG2-CE1 3.95Å; I406-F430 HydrophobicContact CG2-CE2 4.48Å; I406-F430 HydrophobicContact CG2-CZ 3.52Å; W422-F430 HydrophobicContact CB-CB 4.45Å; W422-F430 HydrophobicContact CB-CD1 4.06Å; W422-F430 HydrophobicContact CB-CD2 3.97Å; W422-F430 HydrophobicContact CB-CE1 4.22Å; W422-F430 HydrophobicContact CB-CE2 4.14Å; W422-F430 HydrophobicContact CB-CG 3.91Å; W422-F430 HydrophobicContact CB-CZ 4.24Å; W422-F430 AromaticContact CD1-CD2 3.39Å; W422-F430 AromaticContact CD1-CE2 3.29Å; W422-F430 HydrophobicContact CD2-CB 3.8Å; W422-F430 AromaticContact CD2-CD2 3.43Å; W422-F430 HydrophobicContact CD2-CD2 3.43Å; W422-F430 VanDerWaalsContact CD2-CD2 3.43Å; W422-F430 HydrophobicContact CD2-CE2 4.16Å; W422-F430 AromaticContact CD2-CG 3.78Å; W422-F430 HydrophobicContact CD2-CG 3.78Å; W422-F430 AromaticContact CE2-CD2 3.56Å; W422-F430 HydrophobicContact CE3-CB 3.55Å; W422-F430 HydrophobicContact CE3-CD2 4.11Å; W422-F430 HydrophobicContact CE3-CG 4.07Å; W422-F430 HydrophobicContact CG-CB 4.21Å; W422-F430 HydrophobicContact CG-CD1 4.32Å; W422-F430 AromaticContact CG-CD2 3.33Å; W422-F430 HydrophobicContact CG-CD2 3.33Å; W422-F430 AromaticContact CG-CE2 3.62Å; W422-F430 HydrophobicContact CG-CE2 3.62Å; W422-F430 AromaticContact CG-CG 3.71Å; W422-F430 HydrophobicContact CG-CG 3.71Å; W422-F430 HydrophobicContact CG-CZ 4.21Å; W422-F430 HydrophobicContact CZ2-CD2 4.32Å; W422-F430 HydrophobicContact CZ3-CB 4.02Å; W422-F430 AromaticContact NE1-CD2 3.5Å; W422-F430 AromaticContact NE1-CE2 3.62Å; L426-F430 WeakPolarHBondContact O-CB 3.44Å; L426-F430 PolarHBondContact O-N 2.78Å; A427-F430 PolarHBondContact O-N 2.77Å; V428-F430 VanDerWaalsContact C-N 3.28Å; V428-F430 PolarHBondContact O-N 3.11Å; F430-Y432 VanDerWaalsContact C-N 3.33Å; F430-Y432 PolarHBondContact O-N 3.12Å; F430-W433 HydrophobicContact CD2-CE3 4.1Å; F430-W433 AromaticContact CE2-CE3 3.99Å; F430-W433 HydrophobicContact CE2-CE3 3.99Å; F430-W433 HydrophobicContact CE2-CZ3 4.25Å; F430-W433 WeakPolarHBondContact O-CB 3.26Å; F430-W433 PolarHBondContact O-N 3.19Å; F430-L434 HydrophobicContact CD1-CD1 4.22Å; F430-L434 HydrophobicContact CD2-CD1 4.01Å; F430-L434 HydrophobicContact CD2-CD2 4.45Å; F430-L434 HydrophobicContact CD2-CG 3.91Å; F430-L434 HydrophobicContact CE1-CD1 4.03Å; F430-L434 HydrophobicContact CE2-CD1 3.81Å; F430-L434 HydrophobicContact CE2-CD2 3.76Å; F430-L434 HydrophobicContact CE2-CG 3.69Å; F430-L434 HydrophobicContact CG-CD1 4.23Å; F430-L434 HydrophobicContact CZ-CD1 3.84Å; F430-L434 HydrophobicContact CZ-CD2 4.14Å; F430-L434 HydrophobicContact CZ-CG 4.19Å; F430-L434 VanDerWaalsContact O-CG 3.27Å; F430-L434 WeakPolarHBondContact O-CG 3.34Å; F430-L434 PolarHBondContact O-N 3.24Å; F430-L458 HydrophobicContact CD1-CD2 4.2Å
431	S	96	Very high	91.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62	-39	177.7	75.1	0	0	0	0	112.6	A427 V428 P429 L434 I435 R457 L461	A427-S431 WeakPolarHBondContact O-CB 3.38Å; A427-S431 PolarHBondContact O-N 2.97Å; A427-S431 PolarHBondContact O-OG 2.67Å; V428-S431 PolarHBondContact O-N 3.19Å; V428-S431 VanDerWaalsContact O-N 3.16Å; V428-S431 PolarHBondContact O-OG 3.31Å; P429-S431 VanDerWaalsContact C-N 3.31Å; P429-S431 PolarHBondContact O-N 2.88Å; S431-L434 PolarHBondContact O-N 3.15Å; S431-I435 WeakPolarHBondContact O-CG1 3.34Å; S431-I435 PolarHBondContact O-N 3.47Å; S431-I435 VanDerWaalsContact O-N 3.11Å; S431-R457 WeakPolarHBondContact OG-CD 3.4Å; S431-R457 PolarHBondContact OG-NH1 3.03Å; S431-L461 WeakPolarHBondContact O-CD1 3.47Å
432	Y	96.7	Very high	91.1	Very high	15 Å²	15	21.1 Å²	21.1	6%	0.059	12%	0.119	C	C	.	.	H	α-helix	trans	-69.4	-40.5	174.2	-71.8	-53.3	0	0	0	112.5	V69 P70 H72 R145 E168 V428 P429 F430 L434 I435 Q436 L449	V69-Y432 HydrophobicContact CG1-CD1 3.77Å; V69-Y432 HydrophobicContact CG1-CG 4.22Å; V69-Y432 WeakPolarHBondContact CG1-O 3.2Å; P70-Y432 HydrophobicContact CB-CD1 4.12Å; P70-Y432 HydrophobicContact CB-CD2 4Å; P70-Y432 HydrophobicContact CB-CE1 4.19Å; P70-Y432 HydrophobicContact CB-CE2 4.06Å; P70-Y432 HydrophobicContact CB-CG 4.03Å; P70-Y432 HydrophobicContact CG-CD1 4.04Å; P70-Y432 HydrophobicContact CG-CE1 3.76Å; P70-Y432 HydrophobicContact CG-CE2 4.32Å; P70-Y432 HydrophobicContact CG-CG 4.45Å; H72-Y432 PolarHBondContact CE1-O 2.79Å; R145-Y432 VanDerWaalsContact CD-OH 3.32Å; R145-Y432 WeakPolarHBondContact CD-OH 3.46Å; R145-Y432 HydrophobicContact CG-CE1 4.43Å; R145-Y432 PolarHBondContact NE-OH 3.02Å; E168-Y432 WeakPolarHBondContact OE2-CE2 3.25Å; E168-Y432 PolarHBondContact OE2-OH 3.45Å; V428-Y432 HydrophobicContact CG1-CD2 4.1Å; V428-Y432 HydrophobicContact CG1-CE2 3.77Å; V428-Y432 WeakPolarHBondContact O-CD2 3.47Å; V428-Y432 PolarHBondContact O-N 3.4Å; P429-Y432 PolarHBondContact O-N 2.65Å; F430-Y432 VanDerWaalsContact C-N 3.33Å; F430-Y432 PolarHBondContact O-N 3.12Å; Y432-L434 VanDerWaalsContact C-N 3.3Å; Y432-L434 PolarHBondContact O-N 3.31Å; Y432-I435 HydrophobicContact CD1-CD1 4.14Å; Y432-I435 PolarHBondContact O-N 3.39Å; Y432-Q436 PolarHBondContact O-N 3.15Å; Y432-L449 HydrophobicContact CD1-CD1 4.08Å; Y432-L449 HydrophobicContact CE1-CD1 3.77Å
433	W	96.4	Very high	90.9	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.008	14%	0.138	C	C	.	.	H	α-helix	trans	-58.3	-42.6	174.1	-176.2	83.6	0	0	0	111.7	W417 V419 W422 P429 F430 Q436 N437 E492	W417-W433 AromaticContact CE3-CH2 3.55Å; W417-W433 HydrophobicContact CE3-CH2 3.55Å; W417-W433 AromaticContact CE3-CZ3 3.89Å; W417-W433 HydrophobicContact CE3-CZ3 3.89Å; W417-W433 AromaticContact CZ3-CH2 3.83Å; W417-W433 HydrophobicContact CZ3-CH2 3.83Å; W417-W433 AromaticContact CZ3-CZ3 3.92Å; W417-W433 HydrophobicContact CZ3-CZ3 3.92Å; V419-W433 HydrophobicContact CG1-CH2 4.34Å; V419-W433 HydrophobicContact CG1-CZ3 4.26Å; W422-W433 HydrophobicContact CH2-CB 4.01Å; W422-W433 HydrophobicContact CH2-CG 4.18Å; W422-W433 HydrophobicContact CZ2-CB 3.73Å; W422-W433 AromaticContact CZ2-CD1 3.85Å; W422-W433 AromaticContact CZ2-CD2 3.81Å; W422-W433 HydrophobicContact CZ2-CD2 3.81Å; W422-W433 HydrophobicContact CZ2-CE3 4.39Å; W422-W433 AromaticContact CZ2-CG 3.48Å; W422-W433 HydrophobicContact CZ2-CG 3.48Å; W422-W433 VanDerWaalsContact CZ2-CG 3.48Å; W422-W433 AromaticContact NE1-CE3 3.88Å; P429-W433 WeakPolarHBondContact O-CB 3.23Å; P429-W433 PolarHBondContact O-N 2.95Å; F430-W433 HydrophobicContact CD2-CE3 4.1Å; F430-W433 AromaticContact CE2-CE3 3.99Å; F430-W433 HydrophobicContact CE2-CE3 3.99Å; F430-W433 HydrophobicContact CE2-CZ3 4.25Å; F430-W433 WeakPolarHBondContact O-CB 3.26Å; F430-W433 PolarHBondContact O-N 3.19Å; W433-Q436 PolarHBondContact O-N 3.08Å; W433-N437 VanDerWaalsContact CE2-ND2 3.33Å; W433-N437 HydrophobicContact CH2-CB 4.49Å; W433-N437 HydrophobicContact CZ2-CB 4.47Å; W433-N437 PolarHBondContact NE1-ND2 3.1Å; W433-N437 WeakPolarHBondContact O-CB 3.43Å; W433-N437 PolarHBondContact O-N 2.84Å; W433-N437 VanDerWaalsContact O-N 3.09Å; W433-N437 PolarHBondContact O-ND2 3.31Å; W433-E492 PolarHBondContact NE1-O 3.1Å
434	L	96.8	Very high	90.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.2	-42.6	175.2	-69.7	167.2	0	0	0	112.5	I406 L410 F430 S431 Y432 Q436 N437 L438 L458 L461 I465	I406-L434 HydrophobicContact CD1-CD1 4Å; I406-L434 HydrophobicContact CG2-CD1 3.93Å; I406-L434 HydrophobicContact CG2-CD2 3.95Å; L410-L434 HydrophobicContact CD1-CD2 3.61Å; F430-L434 HydrophobicContact CD1-CD1 4.22Å; F430-L434 HydrophobicContact CD2-CD1 4.01Å; F430-L434 HydrophobicContact CD2-CD2 4.45Å; F430-L434 HydrophobicContact CD2-CG 3.91Å; F430-L434 HydrophobicContact CE1-CD1 4.03Å; F430-L434 HydrophobicContact CE2-CD1 3.81Å; F430-L434 HydrophobicContact CE2-CD2 3.76Å; F430-L434 HydrophobicContact CE2-CG 3.69Å; F430-L434 HydrophobicContact CG-CD1 4.23Å; F430-L434 HydrophobicContact CZ-CD1 3.84Å; F430-L434 HydrophobicContact CZ-CD2 4.14Å; F430-L434 HydrophobicContact CZ-CG 4.19Å; F430-L434 VanDerWaalsContact O-CG 3.27Å; F430-L434 WeakPolarHBondContact O-CG 3.34Å; F430-L434 PolarHBondContact O-N 3.24Å; S431-L434 PolarHBondContact O-N 3.15Å; Y432-L434 VanDerWaalsContact C-N 3.3Å; Y432-L434 PolarHBondContact O-N 3.31Å; L434-Q436 PolarHBondContact O-N 3.34Å; L434-N437 PolarHBondContact O-N 3.25Å; L434-L438 HydrophobicContact CB-CD1 4.16Å; L434-L438 HydrophobicContact CD2-CD1 4.48Å; L434-L438 WeakPolarHBondContact O-CB 3.44Å; L434-L438 VanDerWaalsContact O-CG 3.25Å; L434-L438 WeakPolarHBondContact O-CG 2.93Å; L434-L438 PolarHBondContact O-N 3.28Å; L434-L458 HydrophobicContact CD1-CD2 3.86Å; L434-L461 HydrophobicContact CB-CD1 3.83Å; L434-L461 HydrophobicContact CB-CD2 4.01Å; L434-L461 HydrophobicContact CB-CG 4.37Å; L434-L461 HydrophobicContact CD1-CB 4.37Å; L434-L461 HydrophobicContact CD1-CD1 3.99Å; L434-I465 HydrophobicContact CD2-CD1 4.48Å
435	I	95.5	Very high	91.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-57.1	-37.6	177	-70.8	168.4	0	0	0	111.5	V69 S431 Y432 K445 I448 L449 R457 L461	V69-I435 HydrophobicContact CG1-CB 4.35Å; V69-I435 HydrophobicContact CG1-CG2 4.26Å; V69-I435 HydrophobicContact CG2-CG2 3.72Å; S431-I435 WeakPolarHBondContact O-CG1 3.34Å; S431-I435 PolarHBondContact O-N 3.47Å; S431-I435 VanDerWaalsContact O-N 3.11Å; Y432-I435 HydrophobicContact CD1-CD1 4.14Å; Y432-I435 PolarHBondContact O-N 3.39Å; I435-K445 HydrophobicContact CG2-CD 4.36Å; I435-K445 HydrophobicContact CG2-CG 3.5Å; I435-I448 HydrophobicContact CD1-CG2 3.85Å; I435-I448 HydrophobicContact CG1-CG2 3.84Å; I435-L449 HydrophobicContact CD1-CD1 4.37Å; I435-R457 HydrophobicContact CD1-CG 4.22Å; I435-L461 HydrophobicContact CG1-CD1 4.29Å; I435-L461 HydrophobicContact CG1-CD2 3.83Å
436	Q	94.6	Very high	91.6	Very high	6 Å²	6	12.3 Å²	12.3	3%	0.028	8%	0.081	C	C	.	.	H	α-helix	trans	-74.4	-42.2	177.1	-178.1	67.3	20.1	0	0	112.6	H72 Y432 W433 L434 S495 D507 R570	H72-Q436 WeakPolarHBondContact CD2-CG 3.37Å; H72-Q436 VanDerWaalsContact CE1-CB 3.44Å; H72-Q436 WeakPolarHBondContact CE1-CB 3.47Å; H72-Q436 WeakPolarHBondContact NE2-CB 3.46Å; H72-Q436 WeakPolarHBondContact NE2-CG 3.38Å; Y432-Q436 PolarHBondContact O-N 3.15Å; W433-Q436 PolarHBondContact O-N 3.08Å; L434-Q436 PolarHBondContact O-N 3.34Å; Q436-S495 WeakPolarHBondContact O-CB 3.27Å; Q436-D507 PolarHBondContact NE2-OD1 3.11Å; Q436-R570 PolarHBondContact O-NH2 2.87Å
437	N	95.1	Very high	91.6	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-90.7	-20.5	-166.1	-75.9	-74.6	0	0	0	114.6	W417 W433 L434 E492 G493 S494 S495	W417-N437 HydrophobicContact CH2-CB 4.39Å; W417-N437 HydrophobicContact CZ3-CB 4.16Å; W433-N437 VanDerWaalsContact CE2-ND2 3.33Å; W433-N437 HydrophobicContact CH2-CB 4.49Å; W433-N437 HydrophobicContact CZ2-CB 4.47Å; W433-N437 PolarHBondContact NE1-ND2 3.1Å; W433-N437 WeakPolarHBondContact O-CB 3.43Å; W433-N437 PolarHBondContact O-N 2.84Å; W433-N437 VanDerWaalsContact O-N 3.09Å; W433-N437 PolarHBondContact O-ND2 3.31Å; L434-N437 PolarHBondContact O-N 3.25Å; N437-E492 PolarHBondContact ND2-O 2.83Å; N437-E492 PolarHBondContact OD1-O 3.11Å; N437-G493 VanDerWaalsContact OD1-C 3.28Å; N437-G493 WeakPolarHBondContact OD1-CA 3.38Å; N437-S494 PolarHBondContact O-OG 2.92Å; N437-S494 PolarHBondContact OD1-N 3.08Å; N437-S495 PolarHBondContact OD1-N 3.07Å; N437-S495 PolarHBondContact OD1-O 3.22Å
438	L	92.8	Very high	91.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	-76.8	142.3	177.7	-67.5	174	0	0	0	111.5	L410 W413 W417 L434 M440 L461 V464 I465	L410-L438 HydrophobicContact CD2-CD2 4.02Å; W413-L438 HydrophobicContact CH2-CD2 4.03Å; W413-L438 HydrophobicContact CZ3-CD2 4.06Å; W417-L438 HydrophobicContact CH2-CD2 4Å; W417-L438 HydrophobicContact CZ3-CD2 4.37Å; L434-L438 HydrophobicContact CB-CD1 4.16Å; L434-L438 HydrophobicContact CD2-CD1 4.48Å; L434-L438 WeakPolarHBondContact O-CB 3.44Å; L434-L438 VanDerWaalsContact O-CG 3.25Å; L434-L438 WeakPolarHBondContact O-CG 2.93Å; L434-L438 PolarHBondContact O-N 3.28Å; L438-M440 VanDerWaalsContact C-N 3.28Å; L438-M440 HydrophobicContact CB-CE 3.52Å; L438-M440 HydrophobicContact CD1-CE 3.99Å; L438-M440 HydrophobicContact CG-CE 4.36Å; L438-M440 PolarHBondContact O-N 3.45Å; L438-L461 HydrophobicContact CD1-CB 4.33Å; L438-L461 HydrophobicContact CD1-CD2 3.75Å; L438-V464 HydrophobicContact CD1-CG1 4.36Å; L438-I465 HydrophobicContact CD1-CD1 4.07Å; L438-I465 HydrophobicContact CD1-CG1 3.76Å; L438-I465 HydrophobicContact CD2-CD1 4.08Å; L438-I465 HydrophobicContact CD2-CG1 3.5Å; L438-I465 VanDerWaalsContact CD2-CG1 3.5Å; L438-I465 HydrophobicContact CG-CG1 4.3Å
439	P	85.2	Confident	91.8	Very high	3 Å²	3	11.8 Å²	11.8	2%	0.019	8%	0.075	C	C	.	.			trans	-76.6	74.5	-179.4	35.1	-39.6	0	0	0	110.9	W413 I486 P575	W413-P439 HydrophobicContact CH2-CG 4.39Å; W413-P439 HydrophobicContact CZ3-CG 4.48Å; P439-I486 HydrophobicContact CB-CD1 4.13Å; P439-I486 HydrophobicContact CG-CD1 3.6Å; P439-P575 WeakPolarHBondContact O-CD 3.16Å; P439-P575 WeakPolarHBondContact O-CG 3.47Å
440	M	86.7	Confident	91.9	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.01	8%	0.081	C	C	.	.			trans	-115.7	156.7	179.1	68.3	-178.7	84.9	0	0	112.4	L438 L444 K445 I448 L461 V464 R570	L438-M440 VanDerWaalsContact C-N 3.28Å; L438-M440 HydrophobicContact CB-CE 3.52Å; L438-M440 HydrophobicContact CD1-CE 3.99Å; L438-M440 HydrophobicContact CG-CE 4.36Å; L438-M440 PolarHBondContact O-N 3.45Å; M440-L444 HydrophobicContact CB-CB 4.47Å; M440-L444 HydrophobicContact CB-CD2 3.97Å; M440-L444 HydrophobicContact CB-CG 4.28Å; M440-L444 HydrophobicContact SD-CG 4.23Å; M440-K445 HydrophobicContact CG-CB 4.01Å; M440-K445 VanDerWaalsContact SD-CA 3.59Å; M440-K445 HydrophobicContact SD-CB 4Å; M440-K445 HydrophobicContact SD-CG 4.41Å; M440-I448 HydrophobicContact CE-CD1 4.38Å; M440-I448 HydrophobicContact SD-CD1 3.97Å; M440-L461 HydrophobicContact CE-CD2 3.83Å; M440-V464 HydrophobicContact CB-CG1 4.43Å; M440-V464 HydrophobicContact CE-CG1 4.38Å; M440-R570 VanDerWaalsContact O-CD 3.23Å; M440-R570 WeakPolarHBondContact O-CD 3.49Å
441	S	84.3	Confident	91.8	Very high	38 Å²	38	12.7 Å²	12.7	27%	0.266	8%	0.084	S	C	.	.			trans	-62.8	155.4	175	68.8	0	0	0	0	111.3	S443 L444 K445	S441-S443 PolarHBondContact O-N 3.15Å; S441-S443 PolarHBondContact OG-OG 3.49Å; S441-L444 PolarHBondContact O-N 3.26Å; S441-L444 VanDerWaalsContact OG-CB 3.32Å; S441-L444 WeakPolarHBondContact OG-CB 3.43Å; S441-L444 PolarHBondContact OG-N 2.91Å; S441-K445 WeakPolarHBondContact O-CB 3.2Å; S441-K445 PolarHBondContact O-N 2.98Å
442	G	85.4	Confident	91.6	Very high	29 Å²	29	14.9 Å²	14.9	30%	0.299	10%	0.096	S	C	.	.	H	α-helix	trans	-59.9	-34.6	176.8	0	0	0	0	0	113.1	Y103 K445 S446	Y103-G442 WeakPolarHBondContact CB-O 3.37Å; G442-K445 PolarHBondContact O-N 3.32Å; G442-S446 WeakPolarHBondContact O-CB 3.04Å; G442-S446 PolarHBondContact O-N 3.31Å
443	S	86.1	Confident	91.3	Very high	59 Å²	59	16.4 Å²	16.4	41%	0.413	10%	0.103	S	C	.	.	H	α-helix	trans	-66.1	-45.7	176.9	56.6	0	0	0	0	111.9	S441 S446 H447	S441-S443 PolarHBondContact O-N 3.15Å; S441-S443 PolarHBondContact OG-OG 3.49Å; S443-S446 PolarHBondContact O-N 2.99Å; S443-H447 WeakPolarHBondContact O-CB 3.42Å; S443-H447 PolarHBondContact O-N 3.23Å
444	L	88.4	Confident	91	Very high	12 Å²	12	16.4 Å²	16.4	6%	0.063	10%	0.104	C	C	.	.	H	α-helix	trans	-66.2	-41.6	176.1	-179.8	55.9	0	0	0	111.3	M440 S441 S446 H447 I448 V464 W583 P585	M440-L444 HydrophobicContact CB-CB 4.47Å; M440-L444 HydrophobicContact CB-CD2 3.97Å; M440-L444 HydrophobicContact CB-CG 4.28Å; M440-L444 HydrophobicContact SD-CG 4.23Å; S441-L444 PolarHBondContact O-N 3.26Å; S441-L444 VanDerWaalsContact OG-CB 3.32Å; S441-L444 WeakPolarHBondContact OG-CB 3.43Å; S441-L444 PolarHBondContact OG-N 2.91Å; L444-S446 VanDerWaalsContact C-N 3.34Å; L444-S446 PolarHBondContact O-N 3.27Å; L444-H447 PolarHBondContact O-N 2.84Å; L444-I448 HydrophobicContact CD1-CD1 3.87Å; L444-I448 HydrophobicContact CD1-CG1 4.01Å; L444-I448 HydrophobicContact CG-CD1 4.05Å; L444-I448 WeakPolarHBondContact O-CG1 3.34Å; L444-I448 PolarHBondContact O-N 3.3Å; L444-V464 HydrophobicContact CD2-CG2 3.91Å; L444-W583 HydrophobicContact CD1-CE3 4.38Å; L444-W583 HydrophobicContact CD1-CZ3 4.03Å; L444-W583 HydrophobicContact CD2-CE3 4.16Å; L444-W583 HydrophobicContact CD2-CZ3 3.8Å; L444-P585 HydrophobicContact CD1-CG 4.3Å
445	K	91.6	Very high	90.7	Very high	1 Å²	1	16.4 Å²	16.4	0%	0.004	10%	0.104	C	C	.	.	H	α-helix	trans	-54.8	-49.4	173.1	-168	179.5	179.1	-172.5	0	111.2	V67 I435 M440 S441 G442 L449 D507	V67-K445 HydrophobicContact CB-CD 4.1Å; V67-K445 HydrophobicContact CG1-CD 4.27Å; V67-K445 HydrophobicContact CG1-CG 4.32Å; V67-K445 WeakPolarHBondContact O-CE 3.35Å; V67-K445 PolarHBondContact O-NZ 3.42Å; I435-K445 HydrophobicContact CG2-CD 4.36Å; I435-K445 HydrophobicContact CG2-CG 3.5Å; M440-K445 HydrophobicContact CG-CB 4.01Å; M440-K445 VanDerWaalsContact SD-CA 3.59Å; M440-K445 HydrophobicContact SD-CB 4Å; M440-K445 HydrophobicContact SD-CG 4.41Å; S441-K445 WeakPolarHBondContact O-CB 3.2Å; S441-K445 PolarHBondContact O-N 2.98Å; G442-K445 PolarHBondContact O-N 3.32Å; K445-L449 VanDerWaalsContact O-CB 3.3Å; K445-L449 WeakPolarHBondContact O-CB 3.34Å; K445-L449 PolarHBondContact O-N 3.12Å; K445-D507 IonicContact NZ-OD2 3.82Å
446	S	91	Very high	90.5	Very high	9 Å²	9	19.9 Å²	19.9	6%	0.063	12%	0.12	C	C	.	.	H	α-helix	trans	-66.2	-36.5	177.9	-171.2	0	0	0	0	112.8	Y103 G442 S443 L444 G450	Y103-S446 VanDerWaalsContact CD1-CB 3.47Å; Y103-S446 VanDerWaalsContact CE1-CB 3.4Å; Y103-S446 VanDerWaalsContact CE1-OG 3.27Å; Y103-S446 WeakPolarHBondContact CE1-OG 3.37Å; G442-S446 WeakPolarHBondContact O-CB 3.04Å; G442-S446 PolarHBondContact O-N 3.31Å; S443-S446 PolarHBondContact O-N 2.99Å; L444-S446 VanDerWaalsContact C-N 3.34Å; L444-S446 PolarHBondContact O-N 3.27Å; S446-G450 PolarHBondContact O-N 3.45Å; S446-G450 VanDerWaalsContact O-N 3.16Å
447	H	91.1	Very high	90.5	Very high	58 Å²	58	19.6 Å²	19.6	27%	0.269	12%	0.119	S	C	.	.	H	α-helix	trans	-64.7	-49.4	177.1	178	68.2	0	0	0	111.6	S443 L444 L449 G450	S443-H447 WeakPolarHBondContact O-CB 3.42Å; S443-H447 PolarHBondContact O-N 3.23Å; L444-H447 PolarHBondContact O-N 2.84Å; H447-L449 VanDerWaalsContact C-N 3.31Å; H447-L449 PolarHBondContact O-N 3.38Å; H447-G450 WeakPolarHBondContact O-CA 3.32Å; H447-G450 PolarHBondContact O-N 3.07Å
448	I	93.5	Very high	90.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-65.7	-36.2	178.7	-62.5	176.2	0	0	0	110.7	I435 M440 L444 G450 I451 R457 A460 L461 V464 P585	I435-I448 HydrophobicContact CD1-CG2 3.85Å; I435-I448 HydrophobicContact CG1-CG2 3.84Å; M440-I448 HydrophobicContact CE-CD1 4.38Å; M440-I448 HydrophobicContact SD-CD1 3.97Å; L444-I448 HydrophobicContact CD1-CD1 3.87Å; L444-I448 HydrophobicContact CD1-CG1 4.01Å; L444-I448 HydrophobicContact CG-CD1 4.05Å; L444-I448 WeakPolarHBondContact O-CG1 3.34Å; L444-I448 PolarHBondContact O-N 3.3Å; I448-G450 PolarHBondContact O-N 3.02Å; I448-I451 HydrophobicContact CG2-CD1 4.32Å; I448-I451 WeakPolarHBondContact O-CB 3.25Å; I448-I451 PolarHBondContact O-N 3.17Å; I448-I451 VanDerWaalsContact O-N 3.09Å; I448-R457 HydrophobicContact CG2-CG 3.65Å; I448-A460 HydrophobicContact CD1-CB 4.39Å; I448-A460 HydrophobicContact CG1-CB 4.3Å; I448-L461 HydrophobicContact CD1-CD2 4.23Å; I448-L461 HydrophobicContact CG2-CD2 4.09Å; I448-L461 HydrophobicContact CG2-CG 4.08Å; I448-V464 HydrophobicContact CD1-CG2 3.92Å; I448-P585 HydrophobicContact CG1-CG 4.31Å
449	L	94	Very high	90.5	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-59.2	-31.8	172.4	-170.2	68.5	0	0	0	111.7	V67 V69 V116 R145 Y432 I435 K445 H447 I451	V67-L449 HydrophobicContact CG1-CD2 4.28Å; V69-L449 HydrophobicContact CG1-CD1 4.3Å; V116-L449 HydrophobicContact CG1-CD2 4.34Å; V116-L449 HydrophobicContact CG1-CG 4.3Å; R145-L449 WeakPolarHBondContact CD-O 3.21Å; R145-L449 HydrophobicContact CG-CD1 4.09Å; R145-L449 HydrophobicContact CG-CG 4.27Å; R145-L449 PolarHBondContact NE-O 3.41Å; R145-L449 PolarHBondContact NH1-O 2.87Å; Y432-L449 HydrophobicContact CD1-CD1 4.08Å; Y432-L449 HydrophobicContact CE1-CD1 3.77Å; I435-L449 HydrophobicContact CD1-CD1 4.37Å; K445-L449 VanDerWaalsContact O-CB 3.3Å; K445-L449 WeakPolarHBondContact O-CB 3.34Å; K445-L449 PolarHBondContact O-N 3.12Å; H447-L449 VanDerWaalsContact C-N 3.31Å; H447-L449 PolarHBondContact O-N 3.38Å; L449-I451 PolarHBondContact O-N 3.12Å
450	G	93.7	Very high	90.9	Very high	20 Å²	20	21.3 Å²	21.3	21%	0.206	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-9.9	176.5	0	0	0	0	0	115.7	S446 H447 I448	S446-G450 PolarHBondContact O-N 3.45Å; S446-G450 VanDerWaalsContact O-N 3.16Å; H447-G450 WeakPolarHBondContact O-CA 3.32Å; H447-G450 PolarHBondContact O-N 3.07Å; I448-G450 PolarHBondContact O-N 3.02Å
451	I	94	Very high	91.3	Very high	11 Å²	11	21.2 Å²	21.2	6%	0.056	12%	0.124	C	C	.	.			trans	-78.3	122.1	179.3	-57.7	173.8	0	0	0	109.7	I448 L449 Q456 R457 A460 I587	I448-I451 HydrophobicContact CG2-CD1 4.32Å; I448-I451 WeakPolarHBondContact O-CB 3.25Å; I448-I451 PolarHBondContact O-N 3.17Å; I448-I451 VanDerWaalsContact O-N 3.09Å; L449-I451 PolarHBondContact O-N 3.12Å; I451-Q456 HydrophobicContact CG2-CB 3.54Å; I451-R457 HydrophobicContact CB-CB 4.3Å; I451-R457 HydrophobicContact CB-CG 4.41Å; I451-R457 HydrophobicContact CG2-CB 4.08Å; I451-R457 VanDerWaalsContact O-CZ 3.32Å; I451-R457 PolarHBondContact O-NE 3.33Å; I451-R457 PolarHBondContact O-NH2 3.31Å; I451-A460 HydrophobicContact CD1-CB 3.93Å; I451-I587 HydrophobicContact CD1-CD1 3.63Å; I451-I587 HydrophobicContact CD1-CG1 3.93Å; I451-I587 HydrophobicContact CG1-CD1 3.88Å
452	D	91.7	Very high	91.8	Very high	46 Å²	46	19.7 Å²	19.7	25%	0.246	11%	0.113	C	C	.	.			trans	-80.2	-36.2	-176.7	-64.9	-23.5	0	0	0	113.1	R145 P167 A169 R457	R145-D452 IonicContact CZ-OD1 2.62Å; R145-D452 VanDerWaalsContact CZ-OD1 3.25Å; R145-D452 IonicContact NH1-OD1 2.68Å; R145-D452 PolarHBondContact NH1-OD1 3.38Å; R145-D452 IonicContact NH2-OD1 3.04Å; R145-D452 PolarHBondContact NH2-OD1 3.45Å; P167-D452 HydrophobicContact CG-CB 4.46Å; A169-D452 PolarHBondContact N-O 2.62Å; D452-R457 PolarHBondContact O-NH2 3.45Å
453	H	89.6	Confident	92.1	Very high	47 Å²	47	21 Å²	21	22%	0.218	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-88.9	125.4	-176.2	-163.7	-85.8	0	0	0	112.4	A169 V455 Q456 R457	A169-H453 HydrophobicContact CB-CB 4.26Å; A169-H453 WeakPolarHBondContact O-CA 3.36Å; H453-V455 VanDerWaalsContact C-N 3.31Å; H453-V455 VanDerWaalsContact CE1-CG2 3.43Å; H453-V455 WeakPolarHBondContact CE1-CG2 3.34Å; H453-V455 WeakPolarHBondContact ND1-CB 3.45Å; H453-V455 PolarHBondContact ND1-N 3.42Å; H453-V455 PolarHBondContact O-N 3.41Å; H453-Q456 HydrophobicContact CB-CB 4.3Å; H453-Q456 HydrophobicContact CB-CG 4.29Å; H453-Q456 WeakPolarHBondContact O-CB 3.5Å; H453-Q456 PolarHBondContact O-N 2.88Å; H453-R457 PolarHBondContact O-N 3.27Å
454	V	91.2	Very high	92.3	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.012	9%	0.092	C	C	.	.	H	α-helix	trans	-58.9	-37.5	-175.1	66.8	0	0	0	0	113.7	A169 A427 V428 R457 L458	A169-V454 PolarHBondContact O-N 2.98Å; A427-V454 VanDerWaalsContact C-CG2 3.46Å; A427-V454 HydrophobicContact CB-CG2 3.75Å; A427-V454 WeakPolarHBondContact O-CG2 3.19Å; V428-V454 HydrophobicContact CG2-CB 4.03Å; V428-V454 HydrophobicContact CG2-CG1 4.49Å; V428-V454 HydrophobicContact CG2-CG2 3.99Å; V454-R457 WeakPolarHBondContact O-CB 3.4Å; V454-R457 PolarHBondContact O-N 3.31Å; V454-L458 HydrophobicContact CG2-CD1 4.15Å; V454-L458 HydrophobicContact CG2-CG 4.33Å; V454-L458 WeakPolarHBondContact O-CB 3.42Å; V454-L458 WeakPolarHBondContact O-CG 3.38Å; V454-L458 PolarHBondContact O-N 2.85Å
455	V	89.6	Confident	92.5	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	9%	0.089	C	C	.	.	H	α-helix	trans	-64.1	-46.4	178.5	175.2	0	0	0	0	111.3	F171 Y397 L399 L402 H453 R457 L458 R459	F171-V455 HydrophobicContact CD2-CG2 4Å; F171-V455 HydrophobicContact CE2-CG2 3.38Å; F171-V455 HydrophobicContact CZ-CG2 4.1Å; Y397-V455 HydrophobicContact CD1-CG1 3.99Å; Y397-V455 HydrophobicContact CG-CG1 4.43Å; Y397-V455 WeakPolarHBondContact O-CG1 3.43Å; L399-V455 HydrophobicContact CD1-CG2 4.3Å; L402-V455 HydrophobicContact CD1-CB 4.45Å; L402-V455 HydrophobicContact CD1-CG1 3.67Å; H453-V455 VanDerWaalsContact C-N 3.31Å; H453-V455 VanDerWaalsContact CE1-CG2 3.43Å; H453-V455 WeakPolarHBondContact CE1-CG2 3.34Å; H453-V455 WeakPolarHBondContact ND1-CB 3.45Å; H453-V455 PolarHBondContact ND1-N 3.42Å; H453-V455 PolarHBondContact O-N 3.41Å; V455-R457 VanDerWaalsContact C-N 3.27Å; V455-R457 PolarHBondContact O-N 2.94Å; V455-L458 PolarHBondContact O-N 3.2Å; V455-R459 VanDerWaalsContact O-CG 3.3Å; V455-R459 WeakPolarHBondContact O-CG 3.17Å; V455-R459 PolarHBondContact O-N 3.43Å
456	Q	91.1	Very high	92.5	Very high	73 Å²	73	22.8 Å²	22.8	34%	0.341	11%	0.108	S	C	.	.	H	α-helix	trans	-60.6	-42.2	177	-78.1	177.8	-17	0	0	110.5	I451 H453 R459 A460 I587	I451-Q456 HydrophobicContact CG2-CB 3.54Å; H453-Q456 HydrophobicContact CB-CB 4.3Å; H453-Q456 HydrophobicContact CB-CG 4.29Å; H453-Q456 WeakPolarHBondContact O-CB 3.5Å; H453-Q456 PolarHBondContact O-N 2.88Å; Q456-R459 PolarHBondContact O-N 3.02Å; Q456-A460 WeakPolarHBondContact O-CB 3.37Å; Q456-A460 PolarHBondContact O-N 3.35Å; Q456-I587 HydrophobicContact CB-CG2 3.7Å; Q456-I587 HydrophobicContact CG-CG2 3.61Å
457	R	94.5	Very high	92.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.6	-46.5	176.6	-158.3	-174.3	-61	133.6	0.6	111.6	E168 S431 I435 I448 I451 D452 H453 V454 V455 A460 L461	E168-R457 IonicContact OE1-CZ 2.79Å; E168-R457 VanDerWaalsContact OE1-CZ 3.24Å; E168-R457 IonicContact OE1-NH1 3.9Å; E168-R457 PolarHBondContact OE1-NH1 3Å; E168-R457 IonicContact OE1-NH2 2.71Å; E168-R457 PolarHBondContact OE1-NH2 2.95Å; E168-R457 IonicContact OE2-NH1 3.18Å; E168-R457 IonicContact OE2-NH2 3.16Å; S431-R457 WeakPolarHBondContact OG-CD 3.4Å; S431-R457 PolarHBondContact OG-NH1 3.03Å; I435-R457 HydrophobicContact CD1-CG 4.22Å; I448-R457 HydrophobicContact CG2-CG 3.65Å; I451-R457 HydrophobicContact CB-CB 4.3Å; I451-R457 HydrophobicContact CB-CG 4.41Å; I451-R457 HydrophobicContact CG2-CB 4.08Å; I451-R457 VanDerWaalsContact O-CZ 3.32Å; I451-R457 PolarHBondContact O-NE 3.33Å; I451-R457 PolarHBondContact O-NH2 3.31Å; D452-R457 PolarHBondContact O-NH2 3.45Å; H453-R457 PolarHBondContact O-N 3.27Å; V454-R457 WeakPolarHBondContact O-CB 3.4Å; V454-R457 PolarHBondContact O-N 3.31Å; V455-R457 VanDerWaalsContact C-N 3.27Å; V455-R457 PolarHBondContact O-N 2.94Å; R457-A460 WeakPolarHBondContact O-CB 3.44Å; R457-A460 PolarHBondContact O-N 2.76Å; R457-L461 HydrophobicContact CG-CD1 4.18Å; R457-L461 WeakPolarHBondContact O-CB 3.34Å; R457-L461 WeakPolarHBondContact O-CD1 3.46Å; R457-L461 WeakPolarHBondContact O-CG 3.28Å; R457-L461 PolarHBondContact O-N 2.88Å
458	L	94.8	Very high	92	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65.8	-37	177.3	-72	174.4	0	0	0	112.6	L399 L402 V403 I406 A427 F430 L434 V454 V455 L461 L462	L399-L458 HydrophobicContact CD1-CD1 3.48Å; L399-L458 VanDerWaalsContact CD1-CD1 3.48Å; L402-L458 HydrophobicContact CB-CB 4.39Å; L402-L458 HydrophobicContact CD1-CB 4.25Å; V403-L458 HydrophobicContact CG2-CD1 4.39Å; I406-L458 HydrophobicContact CD1-CB 4.15Å; I406-L458 HydrophobicContact CD1-CD2 3.75Å; I406-L458 HydrophobicContact CD1-CG 4.49Å; A427-L458 HydrophobicContact CB-CD1 4.04Å; F430-L458 HydrophobicContact CD1-CD2 4.2Å; L434-L458 HydrophobicContact CD1-CD2 3.86Å; V454-L458 HydrophobicContact CG2-CD1 4.15Å; V454-L458 HydrophobicContact CG2-CG 4.33Å; V454-L458 WeakPolarHBondContact O-CB 3.42Å; V454-L458 WeakPolarHBondContact O-CG 3.38Å; V454-L458 PolarHBondContact O-N 2.85Å; V455-L458 PolarHBondContact O-N 3.2Å; L458-L461 HydrophobicContact CD2-CD1 4.37Å; L458-L461 PolarHBondContact O-N 3.45Å; L458-L462 WeakPolarHBondContact O-CB 3.43Å; L458-L462 PolarHBondContact O-N 3.37Å
459	R	93.6	Very high	91.7	Very high	38 Å²	38	26.5 Å²	26.5	14%	0.143	13%	0.125	C	C	.	.	H	α-helix	trans	-61	-48	172.5	-72.5	178	77	-144.5	6.8	111.3	Q396 Y397 L402 V455 Q456 L461 L462 E463 I587	Q396-R459 VanDerWaalsContact O-CD 3.28Å; Q396-R459 WeakPolarHBondContact O-CD 3.37Å; Q396-R459 WeakPolarHBondContact O-CG 3.14Å; Q396-R459 PolarHBondContact O-NE 3Å; Y397-R459 VanDerWaalsContact CZ-CZ 3.47Å; Y397-R459 PolarHBondContact OH-NH1 2.78Å; L402-R459 HydrophobicContact CD1-CG 3.85Å; L402-R459 HydrophobicContact CD2-CG 3.74Å; L402-R459 HydrophobicContact CG-CG 4.45Å; V455-R459 VanDerWaalsContact O-CG 3.3Å; V455-R459 WeakPolarHBondContact O-CG 3.17Å; V455-R459 PolarHBondContact O-N 3.43Å; Q456-R459 PolarHBondContact O-N 3.02Å; R459-L461 VanDerWaalsContact C-N 3.31Å; R459-L461 PolarHBondContact O-N 2.6Å; R459-L462 PolarHBondContact O-N 3.39Å; R459-E463 PolarHBondContact O-N 3.36Å; R459-I587 PolarHBondContact NH1-O 2.85Å; R459-I587 PolarHBondContact NH1-OXT 2.95Å
460	A	93.2	Very high	91.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-58.3	-43.9	176	0	0	0	0	0	111.9	I448 I451 Q456 R457 E463 V464 P585	I448-A460 HydrophobicContact CD1-CB 4.39Å; I448-A460 HydrophobicContact CG1-CB 4.3Å; I451-A460 HydrophobicContact CD1-CB 3.93Å; Q456-A460 WeakPolarHBondContact O-CB 3.37Å; Q456-A460 PolarHBondContact O-N 3.35Å; R457-A460 WeakPolarHBondContact O-CB 3.44Å; R457-A460 PolarHBondContact O-N 2.76Å; A460-E463 PolarHBondContact O-N 3.08Å; A460-V464 WeakPolarHBondContact O-CG2 3.33Å; A460-V464 PolarHBondContact O-N 3.09Å; A460-P585 HydrophobicContact CB-CB 3.61Å; A460-P585 HydrophobicContact CB-CG 3.53Å
461	L	95	Very high	91.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-67.1	-40.9	178.2	-68.8	161.3	0	0	0	112.7	S431 L434 I435 L438 M440 I448 R457 L458 R459 E463 V464 I465	S431-L461 WeakPolarHBondContact O-CD1 3.47Å; L434-L461 HydrophobicContact CB-CD1 3.83Å; L434-L461 HydrophobicContact CB-CD2 4.01Å; L434-L461 HydrophobicContact CB-CG 4.37Å; L434-L461 HydrophobicContact CD1-CB 4.37Å; L434-L461 HydrophobicContact CD1-CD1 3.99Å; I435-L461 HydrophobicContact CG1-CD1 4.29Å; I435-L461 HydrophobicContact CG1-CD2 3.83Å; L438-L461 HydrophobicContact CD1-CB 4.33Å; L438-L461 HydrophobicContact CD1-CD2 3.75Å; M440-L461 HydrophobicContact CE-CD2 3.83Å; I448-L461 HydrophobicContact CD1-CD2 4.23Å; I448-L461 HydrophobicContact CG2-CD2 4.09Å; I448-L461 HydrophobicContact CG2-CG 4.08Å; R457-L461 HydrophobicContact CG-CD1 4.18Å; R457-L461 WeakPolarHBondContact O-CB 3.34Å; R457-L461 WeakPolarHBondContact O-CD1 3.46Å; R457-L461 WeakPolarHBondContact O-CG 3.28Å; R457-L461 PolarHBondContact O-N 2.88Å; L458-L461 HydrophobicContact CD2-CD1 4.37Å; L458-L461 PolarHBondContact O-N 3.45Å; R459-L461 VanDerWaalsContact C-N 3.31Å; R459-L461 PolarHBondContact O-N 2.6Å; L461-E463 VanDerWaalsContact C-N 3.28Å; L461-E463 PolarHBondContact O-N 3.06Å; L461-V464 WeakPolarHBondContact O-CB 3.37Å; L461-V464 PolarHBondContact O-N 3.05Å; L461-I465 WeakPolarHBondContact O-CG1 3.17Å; L461-I465 PolarHBondContact O-N 3.18Å
462	L	94.4	Very high	91.2	Very high	7 Å²	7	27 Å²	27	4%	0.037	13%	0.126	C	C	.	.	H	α-helix	trans	-61.1	-39.8	175.1	178.4	58.1	0	0	0	111.4	L402 A405 I406 E409 L458 R459 I465 R466	L402-L462 HydrophobicContact CD2-CD2 3.97Å; A405-L462 HydrophobicContact CB-CD1 4.27Å; A405-L462 HydrophobicContact CB-CD2 3.95Å; I406-L462 HydrophobicContact CD1-CB 4.3Å; I406-L462 HydrophobicContact CG1-CB 3.88Å; I406-L462 HydrophobicContact CG1-CD1 3.85Å; I406-L462 HydrophobicContact CG1-CG 4.33Å; E409-L462 HydrophobicContact CG-CD1 4.03Å; L458-L462 WeakPolarHBondContact O-CB 3.43Å; L458-L462 PolarHBondContact O-N 3.37Å; R459-L462 PolarHBondContact O-N 3.39Å; L462-I465 PolarHBondContact O-N 3.23Å; L462-R466 HydrophobicContact CD1-CG 4.37Å; L462-R466 WeakPolarHBondContact O-CG 3.28Å; L462-R466 PolarHBondContact O-N 2.95Å
463	E	91.2	Very high	91.3	Very high	55 Å²	55	24.8 Å²	24.8	26%	0.257	11%	0.114	S	C	.	.	H	α-helix	trans	-65.5	-40.7	175.2	-174	66.8	-179.6	0	0	111.8	R459 A460 L461 I465 R466 R467 W583	R459-E463 PolarHBondContact O-N 3.36Å; A460-E463 PolarHBondContact O-N 3.08Å; L461-E463 VanDerWaalsContact C-N 3.28Å; L461-E463 PolarHBondContact O-N 3.06Å; E463-I465 VanDerWaalsContact C-N 3.32Å; E463-I465 PolarHBondContact O-N 3.44Å; E463-R466 PolarHBondContact O-N 2.66Å; E463-R467 WeakPolarHBondContact O-CB 3.43Å; E463-R467 WeakPolarHBondContact O-CG 3.44Å; E463-R467 PolarHBondContact O-N 3.37Å; E463-R467 IonicContact OE1-CZ 3.26Å; E463-R467 IonicContact OE1-NE 3.42Å; E463-R467 PolarHBondContact OE1-NE 3.23Å; E463-R467 IonicContact OE1-NH2 2.68Å; E463-R467 PolarHBondContact OE1-NH2 2.79Å; E463-W583 HydrophobicContact CB-CH2 4.42Å; E463-W583 HydrophobicContact CG-CH2 3.84Å; E463-W583 HydrophobicContact CG-CZ2 3.51Å
464	V	90.9	Very high	91.3	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.2	-45.9	172.6	172	0	0	0	0	110.9	L438 M440 L444 I448 A460 L461 R467 S468 W583	L438-V464 HydrophobicContact CD1-CG1 4.36Å; M440-V464 HydrophobicContact CB-CG1 4.43Å; M440-V464 HydrophobicContact CE-CG1 4.38Å; L444-V464 HydrophobicContact CD2-CG2 3.91Å; I448-V464 HydrophobicContact CD1-CG2 3.92Å; A460-V464 WeakPolarHBondContact O-CG2 3.33Å; A460-V464 PolarHBondContact O-N 3.09Å; L461-V464 WeakPolarHBondContact O-CB 3.37Å; L461-V464 PolarHBondContact O-N 3.05Å; V464-R467 PolarHBondContact O-N 3.03Å; V464-S468 VanDerWaalsContact O-CB 3.25Å; V464-S468 WeakPolarHBondContact O-CB 3.39Å; V464-S468 PolarHBondContact O-N 3.12Å; V464-S468 PolarHBondContact O-OG 2.77Å; V464-W583 HydrophobicContact CG2-CH2 4.05Å; V464-W583 HydrophobicContact CG2-CZ3 3.95Å
465	I	93.1	Very high	91.3	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-60.3	-51.1	178.8	-68.7	162.7	0	0	0	110.5	I406 E409 L410 W413 L434 L438 L461 L462 E463 R467 S468	I406-I465 HydrophobicContact CB-CD1 4.46Å; I406-I465 HydrophobicContact CG1-CD1 4.3Å; I406-I465 HydrophobicContact CG2-CD1 3.73Å; E409-I465 HydrophobicContact CB-CG2 3.53Å; E409-I465 HydrophobicContact CG-CG2 4.34Å; L410-I465 HydrophobicContact CD1-CD1 4.25Å; L410-I465 HydrophobicContact CD2-CD1 4.03Å; L410-I465 HydrophobicContact CD2-CG1 4.15Å; L410-I465 HydrophobicContact CD2-CG2 4.26Å; L410-I465 HydrophobicContact CG-CD1 4.07Å; W413-I465 HydrophobicContact CZ2-CB 4.24Å; W413-I465 HydrophobicContact CZ2-CG2 3.74Å; W413-I465 WeakPolarHBondContact CZ2-O 3.36Å; L434-I465 HydrophobicContact CD2-CD1 4.48Å; L438-I465 HydrophobicContact CD1-CD1 4.07Å; L438-I465 HydrophobicContact CD1-CG1 3.76Å; L438-I465 HydrophobicContact CD2-CD1 4.08Å; L438-I465 HydrophobicContact CD2-CG1 3.5Å; L438-I465 VanDerWaalsContact CD2-CG1 3.5Å; L438-I465 HydrophobicContact CG-CG1 4.3Å; L461-I465 WeakPolarHBondContact O-CG1 3.17Å; L461-I465 PolarHBondContact O-N 3.18Å; L462-I465 PolarHBondContact O-N 3.23Å; E463-I465 VanDerWaalsContact C-N 3.32Å; E463-I465 PolarHBondContact O-N 3.44Å; I465-R467 PolarHBondContact O-N 3.45Å; I465-S468 PolarHBondContact O-N 3.09Å; I465-S468 VanDerWaalsContact O-N 3.12Å
466	R	90.4	Very high	91.5	Very high	109 Å²	109	30.5 Å²	30.5	41%	0.411	16%	0.159	S	C	.	.	H	α-helix	trans	-63.4	-29.5	-178	-74.7	176.7	169.6	161.3	0.3	113.6	E409 L462 E463	E409-R466 HydrophobicContact CG-CG 4.44Å; E409-R466 IonicContact OE1-CZ 3.04Å; E409-R466 IonicContact OE1-NE 2.72Å; E409-R466 PolarHBondContact OE1-NE 2.76Å; E409-R466 IonicContact OE1-NH2 3.27Å; L462-R466 HydrophobicContact CD1-CG 4.37Å; L462-R466 WeakPolarHBondContact O-CG 3.28Å; L462-R466 PolarHBondContact O-N 2.95Å; E463-R466 PolarHBondContact O-N 2.66Å
467	R	85.8	Confident	91.5	Very high	93 Å²	93	32.6 Å²	32.6	35%	0.351	17%	0.173	S	C	.	.	H	α-helix	trans	-88.2	-15.3	176.5	-68	-172	-176.2	-135.1	0.2	114.2	E463 V464 I465 T469 L577 W583	E463-R467 WeakPolarHBondContact O-CB 3.43Å; E463-R467 WeakPolarHBondContact O-CG 3.44Å; E463-R467 PolarHBondContact O-N 3.37Å; E463-R467 IonicContact OE1-CZ 3.26Å; E463-R467 IonicContact OE1-NE 3.42Å; E463-R467 PolarHBondContact OE1-NE 3.23Å; E463-R467 IonicContact OE1-NH2 2.68Å; E463-R467 PolarHBondContact OE1-NH2 2.79Å; V464-R467 PolarHBondContact O-N 3.03Å; I465-R467 PolarHBondContact O-N 3.45Å; R467-T469 PolarHBondContact O-N 2.96Å; R467-L577 WeakPolarHBondContact O-CD1 3.36Å; R467-W583 VanDerWaalsContact CZ-NE1 3.27Å
468	S	87	Confident	91.4	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.007	18%	0.18	C	C	.	.			trans	-89.3	82.5	-177.6	-61.9	0	0	0	0	109.7	W413 V464 I465 N483	W413-S468 WeakPolarHBondContact CZ2-O 3.31Å; V464-S468 VanDerWaalsContact O-CB 3.25Å; V464-S468 WeakPolarHBondContact O-CB 3.39Å; V464-S468 PolarHBondContact O-N 3.12Å; V464-S468 PolarHBondContact O-OG 2.77Å; I465-S468 PolarHBondContact O-N 3.09Å; I465-S468 VanDerWaalsContact O-N 3.12Å; S468-N483 WeakPolarHBondContact O-CB 3.37Å; S468-N483 PolarHBondContact O-ND2 3.32Å
469	T	86.6	Confident	91.3	Very high	51 Å²	51	37.3 Å²	37.3	31%	0.313	20%	0.201	S	C	.	.	S	Bend	trans	-90	-27.6	177.4	56.5	0	0	0	0	113.2	R467 N483 L577	R467-T469 PolarHBondContact O-N 2.96Å; T469-N483 VanDerWaalsContact O-CG 3.27Å; T469-N483 PolarHBondContact O-N 3.03Å; T469-N483 VanDerWaalsContact O-N 3.08Å; T469-N483 PolarHBondContact O-OD1 3.49Å; T469-L577 HydrophobicContact CG2-CD1 3.56Å; T469-L577 VanDerWaalsContact OG1-CD1 3.22Å; T469-L577 WeakPolarHBondContact OG1-CD1 3.5Å; T469-L577 VanDerWaalsContact OG1-CG 3.31Å; T469-L577 WeakPolarHBondContact OG1-CG 3.25Å
470	A	89.5	Confident	91.4	Very high	17 Å²	17	35.5 Å²	35.5	14%	0.14	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	170.6	179.5	0	0	0	0	0	110.2	T481 P575 G576	A470-T481 CarbonylContact C-O 3.59Å; A470-T481 WeakPolarHBondContact CA-O 3.43Å; A470-P575 CarbonylContact O-C 3.55Å; A470-P575 WeakPolarHBondContact O-CA 3.41Å; A470-G576 PolarHBondContact O-N 3.48Å
471	C	90.7	Very high	91.4	Very high	6 Å²	6	35.6 Å²	35.6	4%	0.041	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123.9	169.9	-72.4	0	0	0	0	108.5	I480 T481 V573 V574	C471-I480 WeakPolarHBondContact O-CB 3.47Å; C471-I480 PolarHBondContact O-N 3.02Å; C471-T481 HydrophobicContact CB-CG2 3.74Å; C471-T481 PolarHBondContact N-O 3.04Å; C471-T481 PolarHBondContact O-N 3.42Å; C471-V573 HydrophobicContact CB-CB 4.05Å; C471-V573 HydrophobicContact CB-CG1 4.25Å; C471-V574 WeakPolarHBondContact CA-O 3.35Å
472	V	91.7	Very high	91.3	Very high	19 Å²	19	36.9 Å²	36.9	12%	0.115	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	156.1	177.8	-58.7	0	0	0	0	110.5	S474 A478 V573 V574	V472-S474 PolarHBondContact O-N 3.47Å; V472-A478 CarbonylContact C-O 3.55Å; V472-A478 VanDerWaalsContact CA-O 3.28Å; V472-A478 WeakPolarHBondContact CA-O 3.35Å; V472-V573 CarbonylContact O-C 3.52Å; V472-V573 WeakPolarHBondContact O-CA 3.47Å; V472-V574 HydrophobicContact CG2-CG2 3.5Å; V472-V574 PolarHBondContact N-O 2.99Å; V472-V574 PolarHBondContact O-N 2.95Å
473	C	93.3	Very high	91.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	126.6	176.1	-178.6	0	0	0	0	110.5	S475 C476 D477 A478 I480 C545 M549 T572	C473-S475 PolarHBondContact O-N 2.92Å; C473-S475 VanDerWaalsContact O-N 3.08Å; C473-C476 PolarHBondContact O-N 3.37Å; C473-D477 WeakPolarHBondContact O-CA 3.48Å; C473-D477 PolarHBondContact O-N 2.92Å; C473-A478 HydrophobicContact CB-CB 4.32Å; C473-A478 PolarHBondContact N-O 3.46Å; C473-I480 HydrophobicContact CB-CD1 4.12Å; C473-I480 HydrophobicContact CB-CG1 4.09Å; C473-C545 VanDerWaalsContact SG-SG 3.65Å; C473-M549 HydrophobicContact CB-SD 4.46Å; C473-T572 WeakPolarHBondContact CA-O 3.2Å
474	S	89.8	Confident	91.3	Very high	51 Å²	51	38.9 Å²	38.9	36%	0.357	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-12.1	-178.2	61.2	0	0	0	0	114.8	V472 Q571 T572	V472-S474 PolarHBondContact O-N 3.47Å; S474-Q571 PolarHBondContact OG-O 2.7Å; S474-T572 PolarHBondContact N-O 2.95Å; S474-T572 WeakPolarHBondContact OG-CA 3.47Å; S474-T572 PolarHBondContact OG-O 3.43Å
475	S	91.5	Very high	91.5	Very high	72 Å²	72	39.3 Å²	39.3	50%	0.503	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-26.4	-179.1	-53.6	0	0	0	0	114.4	C473	C473-S475 PolarHBondContact O-N 2.92Å; C473-S475 VanDerWaalsContact O-N 3.08Å
476	C	92.9	Very high	91.6	Very high	47 Å²	47	39.2 Å²	39.2	32%	0.318	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-142.8	8.2	-173.3	74	0	0	0	0	114.7	C473 A478 C542 C545	C473-C476 PolarHBondContact O-N 3.37Å; C476-A478 PolarHBondContact O-N 2.97Å; C476-A478 VanDerWaalsContact SG-CB 3.6Å; C476-C542 VanDerWaalsContact SG-SG 3.69Å; C476-C545 HydrophobicContact CB-CB 3.82Å; C476-C545 VanDerWaalsContact SG-SG 3.65Å
477	D	91.3	Very high	91.8	Very high	118 Å²	118	34 Å²	34	63%	0.631	20%	0.195	S	C	*	.			trans	57.8	14	178.2	-56.2	-40.8	0	0	0	115.7	C473 N479	C473-D477 WeakPolarHBondContact O-CA 3.48Å; C473-D477 PolarHBondContact O-N 2.92Å; D477-N479 PolarHBondContact O-N 3.45Å
478	A	92.4	Very high	92.3	Very high	18 Å²	18	29.6 Å²	29.6	15%	0.149	18%	0.178	C	C	.	.			trans	-63.1	132.7	175.2	0	0	0	0	0	110.1	V472 C473 C476 I480	V472-A478 CarbonylContact C-O 3.55Å; V472-A478 VanDerWaalsContact CA-O 3.28Å; V472-A478 WeakPolarHBondContact CA-O 3.35Å; C473-A478 HydrophobicContact CB-CB 4.32Å; C473-A478 PolarHBondContact N-O 3.46Å; C476-A478 PolarHBondContact O-N 2.97Å; C476-A478 VanDerWaalsContact SG-CB 3.6Å; A478-I480 WeakPolarHBondContact O-CG1 3.24Å; A478-I480 PolarHBondContact O-N 3.41Å
479	N	93.1	Very high	92.7	Very high	81 Å²	81	29.6 Å²	29.6	43%	0.433	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	115.5	179.2	-175.7	23.3	0	0	0	111.4	D477 T515 S518	D477-N479 PolarHBondContact O-N 3.45Å; N479-T515 VanDerWaalsContact O-CB 3.28Å; N479-T515 WeakPolarHBondContact O-CB 3.33Å; N479-T515 PolarHBondContact O-OG1 3.31Å; N479-T515 VanDerWaalsContact O-OG1 3.12Å; N479-S518 WeakPolarHBondContact O-CB 3.5Å
480	I	94.9	Very high	93	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-44.2	-174.3	-58.9	-59	0	0	0	111.6	C471 C473 A478 V514 T515 M549 V573	C471-I480 WeakPolarHBondContact O-CB 3.47Å; C471-I480 PolarHBondContact O-N 3.02Å; C473-I480 HydrophobicContact CB-CD1 4.12Å; C473-I480 HydrophobicContact CB-CG1 4.09Å; A478-I480 WeakPolarHBondContact O-CG1 3.24Å; A478-I480 PolarHBondContact O-N 3.41Å; I480-V514 HydrophobicContact CG2-CG1 4.45Å; I480-V514 CarbonylContact O-C 3.57Å; I480-V514 WeakPolarHBondContact O-CA 3.37Å; I480-V514 WeakPolarHBondContact O-CB 3.49Å; I480-T515 PolarHBondContact O-N 3Å; I480-T515 PolarHBondContact O-OG1 3.38Å; I480-M549 HydrophobicContact CB-CE 4.47Å; I480-M549 HydrophobicContact CD1-CE 3.97Å; I480-M549 HydrophobicContact CG1-CE 3.68Å; I480-M549 HydrophobicContact CG2-CE 4.14Å; I480-V573 HydrophobicContact CB-CG1 4.46Å; I480-V573 HydrophobicContact CG1-CG1 4.45Å; I480-V573 HydrophobicContact CG2-CG1 4.46Å
481	T	94.7	Very high	93.1	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	162.6	-177.8	-172.6	0	0	0	0	112	A470 C471 V511 Q513	A470-T481 CarbonylContact C-O 3.59Å; A470-T481 WeakPolarHBondContact CA-O 3.43Å; C471-T481 HydrophobicContact CB-CG2 3.74Å; C471-T481 PolarHBondContact N-O 3.04Å; C471-T481 PolarHBondContact O-N 3.42Å; T481-V511 HydrophobicContact CG2-CG1 4.14Å; T481-V511 HydrophobicContact CG2-CG2 4.49Å; T481-Q513 WeakPolarHBondContact CB-O 3.45Å; T481-Q513 PolarHBondContact OG1-O 3.06Å
482	S	93	Very high	93.1	Very high	27 Å²	27	31.1 Å²	31.1	19%	0.189	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	152.7	173.6	179.4	0	0	0	0	110.6	Q484 Y485	S482-Q484 PolarHBondContact O-N 3.47Å; S482-Q484 PolarHBondContact OG-N 3.1Å; S482-Y485 PolarHBondContact O-N 3.28Å; S482-Y485 VanDerWaalsContact O-N 3.11Å
483	N	91.7	Very high	93.3	Very high	17 Å²	17	30.2 Å²	30.2	9%	0.091	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-59.4	-31.5	171.1	65.8	-18.6	0	0	0	113	W413 S468 T469 Y485 I486	W413-N483 HydrophobicContact CD2-CB 3.97Å; W413-N483 VanDerWaalsContact CE2-ND2 3.34Å; W413-N483 HydrophobicContact CE3-CB 4.25Å; W413-N483 HydrophobicContact CG-CB 4.44Å; W413-N483 HydrophobicContact CH2-CB 4.33Å; W413-N483 HydrophobicContact CZ2-CB 4.03Å; W413-N483 HydrophobicContact CZ3-CB 4.44Å; W413-N483 PolarHBondContact NE1-ND2 2.87Å; S468-N483 WeakPolarHBondContact O-CB 3.37Å; S468-N483 PolarHBondContact O-ND2 3.32Å; T469-N483 VanDerWaalsContact O-CG 3.27Å; T469-N483 PolarHBondContact O-N 3.03Å; T469-N483 VanDerWaalsContact O-N 3.08Å; T469-N483 PolarHBondContact O-OD1 3.49Å; N483-Y485 PolarHBondContact O-N 3.25Å; N483-I486 HydrophobicContact CB-CD1 4.47Å; N483-I486 WeakPolarHBondContact O-CB 3.48Å; N483-I486 WeakPolarHBondContact O-CG1 3.36Å; N483-I486 PolarHBondContact O-N 2.97Å
484	Q	93.1	Very high	93.3	Very high	87 Å²	87	30.3 Å²	30.3	41%	0.407	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-64	-19.8	176.8	-68.3	172.6	4.6	0	0	113.1	W413 S482	W413-Q484 VanDerWaalsContact O-CA 3.24Å; W413-Q484 WeakPolarHBondContact O-CA 3.36Å; S482-Q484 PolarHBondContact O-N 3.47Å; S482-Q484 PolarHBondContact OG-N 3.1Å
485	Y	94.5	Very high	93.5	Very high	8 Å²	8	28 Å²	28	3%	0.031	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-92.5	-2	176.5	-60	-40.9	0	0	0	113	P13 P14 S482 N483 I487 V511 S512 Q513	P13-Y485 WeakPolarHBondContact CB-OH 3.45Å; P14-Y485 WeakPolarHBondContact CD-OH 3.3Å; P14-Y485 HydrophobicContact CG-CE2 4.29Å; P14-Y485 PolarHBondContact O-OH 2.99Å; P14-Y485 VanDerWaalsContact O-OH 3.09Å; S482-Y485 PolarHBondContact O-N 3.28Å; S482-Y485 VanDerWaalsContact O-N 3.11Å; N483-Y485 PolarHBondContact O-N 3.25Å; Y485-I487 PolarHBondContact O-N 3.47Å; Y485-V511 CarbonylContact O-C 3.52Å; Y485-V511 WeakPolarHBondContact O-CA 3.42Å; Y485-V511 WeakPolarHBondContact O-CB 3.44Å; Y485-S512 WeakPolarHBondContact CA-OG 3.46Å; Y485-S512 WeakPolarHBondContact CB-OG 3.28Å; Y485-S512 WeakPolarHBondContact CD1-OG 3.38Å; Y485-S512 PolarHBondContact O-N 3.43Å; Y485-S512 PolarHBondContact O-OG 3.09Å; Y485-Q513 HydrophobicContact CD1-CB 4.08Å; Y485-Q513 HydrophobicContact CD1-CG 4.23Å; Y485-Q513 HydrophobicContact CD2-CB 3.88Å; Y485-Q513 HydrophobicContact CE1-CB 4.29Å; Y485-Q513 HydrophobicContact CE1-CG 4.3Å; Y485-Q513 HydrophobicContact CE2-CB 4.11Å; Y485-Q513 HydrophobicContact CG-CB 3.87Å; Y485-Q513 HydrophobicContact CG-CG 4.5Å
486	I	94.8	Very high	93.6	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-74.5	116.7	173	-58	173.1	0	0	0	108.6	W413 W417 P439 N483 V509 V511	W413-I486 HydrophobicContact CE3-CD1 4.41Å; W413-I486 HydrophobicContact CZ3-CD1 4.02Å; W417-I486 HydrophobicContact CZ2-CB 4.38Å; W417-I486 HydrophobicContact CZ2-CG2 3.7Å; W417-I486 PolarHBondContact NE1-O 3.43Å; W417-I486 VanDerWaalsContact NE1-O 3.11Å; P439-I486 HydrophobicContact CB-CD1 4.13Å; P439-I486 HydrophobicContact CG-CD1 3.6Å; N483-I486 HydrophobicContact CB-CD1 4.47Å; N483-I486 WeakPolarHBondContact O-CB 3.48Å; N483-I486 WeakPolarHBondContact O-CG1 3.36Å; N483-I486 PolarHBondContact O-N 2.97Å; I486-V509 HydrophobicContact CG1-CG1 4.49Å; I486-V509 HydrophobicContact CG2-CG1 3.91Å; I486-V511 HydrophobicContact CG1-CG1 4.04Å
487	I	95.9	Very high	93.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.123	C	C	.	.			trans	-117	155.6	-176.4	58.4	173.3	0	0	0	110.3	I19 T416 Y485 L489 S494 T510 F565	I19-I487 HydrophobicContact CB-CG2 4.43Å; I19-I487 HydrophobicContact CD1-CD1 3.86Å; I19-I487 HydrophobicContact CG2-CD1 4.48Å; T416-I487 WeakPolarHBondContact OG1-CA 3.3Å; Y485-I487 PolarHBondContact O-N 3.47Å; I487-L489 HydrophobicContact CD1-CD1 3.85Å; I487-L489 HydrophobicContact CD1-CD2 4.1Å; I487-L489 HydrophobicContact CD1-CG 3.85Å; I487-L489 HydrophobicContact CG1-CG 4.22Å; I487-S494 WeakPolarHBondContact O-CA 3.1Å; I487-S494 VanDerWaalsContact O-CB 3.31Å; I487-S494 WeakPolarHBondContact O-CB 3.44Å; I487-T510 PolarHBondContact N-O 3.06Å; I487-T510 VanDerWaalsContact O-O 3.11Å; I487-T510 PolarHBondContact O-OG1 3.17Å; I487-F565 HydrophobicContact CD1-CB 4.21Å
488	C	95.6	Very high	93.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.093	C	C	.	.			trans	-104.1	106.5	174.1	-60.6	0	0	0	0	110.8	R28 T416 G493 S494	R28-C488 PolarHBondContact NE-O 2.75Å; R28-C488 PolarHBondContact NH1-O 3.3Å; R28-C488 PolarHBondContact NH2-O 3.4Å; R28-C488 VanDerWaalsContact NH2-O 3.14Å; T416-C488 WeakPolarHBondContact O-CB 3.48Å; T416-C488 PolarHBondContact OG1-N 2.93Å; C488-G493 WeakPolarHBondContact CA-O 3.34Å; C488-G493 VanDerWaalsContact SG-C 3.56Å; C488-S494 PolarHBondContact SG-N 2.85Å
489	L	95.2	Very high	93.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.087	C	C	.	.			trans	-101.4	-11.7	176.4	-66.8	178.5	0	0	0	113.7	I24 F26 R28 I487 T510 F532 P562 F565	I24-L489 HydrophobicContact CD1-CD2 3.92Å; I24-L489 HydrophobicContact CG2-CD2 4.36Å; F26-L489 WeakPolarHBondContact CE1-O 3.3Å; R28-L489 WeakPolarHBondContact CA-O 3.32Å; I487-L489 HydrophobicContact CD1-CD1 3.85Å; I487-L489 HydrophobicContact CD1-CD2 4.1Å; I487-L489 HydrophobicContact CD1-CG 3.85Å; I487-L489 HydrophobicContact CG1-CG 4.22Å; L489-T510 HydrophobicContact CB-CG2 4.39Å; L489-T510 HydrophobicContact CD1-CG2 4.26Å; L489-F532 HydrophobicContact CB-CE1 4.19Å; L489-P562 HydrophobicContact CD1-CG 4.26Å; L489-P562 HydrophobicContact CD2-CG 3.99Å; L489-F565 HydrophobicContact CD1-CB 4.11Å; L489-F565 HydrophobicContact CD1-CD1 3.57Å; L489-F565 HydrophobicContact CD1-CD2 3.41Å; L489-F565 VanDerWaalsContact CD1-CD2 3.41Å; L489-F565 HydrophobicContact CD1-CE1 3.71Å; L489-F565 HydrophobicContact CD1-CE2 3.58Å; L489-F565 HydrophobicContact CD1-CG 3.41Å; L489-F565 VanDerWaalsContact CD1-CG 3.41Å; L489-F565 HydrophobicContact CD1-CZ 3.73Å
490	A	93.9	Very high	93.8	Very high	3 Å²	3	14.6 Å²	14.6	3%	0.025	7%	0.074	C	C	.	.	B	Isolated β-bridge	trans	-102.7	160.2	170.3	0	0	0	0	0	110.4	R28 P31 E492 G493	R28-A490 PolarHBondContact NE-O 2.97Å; R28-A490 PolarHBondContact NH2-O 3.31Å; R28-A490 CarbonylContact O-C 3.44Å; R28-A490 WeakPolarHBondContact O-CA 3.44Å; P31-A490 HydrophobicContact CB-CB 4.1Å; P31-A490 HydrophobicContact CG-CB 4.27Å; A490-E492 HydrophobicContact CB-CB 4.4Å; A490-E492 PolarHBondContact O-N 3.31Å; A490-G493 PolarHBondContact N-O 2.67Å; A490-G493 PolarHBondContact O-N 2.98Å
491	Q	91.6	Very high	93.5	Very high	59 Å²	59	17.9 Å²	17.9	28%	0.276	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-31.8	171.2	179.7	166.2	36	0	0	110.5	R28 G493	R28-Q491 PolarHBondContact O-N 2.77Å; Q491-G493 PolarHBondContact O-N 3.15Å
492	E	91.2	Very high	93.2	Very high	45 Å²	45	22 Å²	22	21%	0.21	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-17.4	176	-65.4	69.2	-154.7	0	0	112.2	W433 N437 A490	W433-E492 PolarHBondContact NE1-O 3.1Å; N437-E492 PolarHBondContact ND2-O 2.83Å; N437-E492 PolarHBondContact OD1-O 3.11Å; A490-E492 HydrophobicContact CB-CB 4.4Å; A490-E492 PolarHBondContact O-N 3.31Å
493	G	94	Very high	93	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	125.3	-143.2	172.1	0	0	0	0	0	113.5	N437 C488 A490 Q491	N437-G493 VanDerWaalsContact OD1-C 3.28Å; N437-G493 WeakPolarHBondContact OD1-CA 3.38Å; C488-G493 WeakPolarHBondContact CA-O 3.34Å; C488-G493 VanDerWaalsContact SG-C 3.56Å; A490-G493 PolarHBondContact N-O 2.67Å; A490-G493 PolarHBondContact O-N 2.98Å; Q491-G493 PolarHBondContact O-N 3.15Å
494	S	94.6	Very high	93	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.014	13%	0.129	C	C	.	.	S	Bend	trans	-85.1	-15.8	179.6	57.3	0	0	0	0	112.7	N437 I487 C488 V509 T510	N437-S494 PolarHBondContact O-OG 2.92Å; N437-S494 PolarHBondContact OD1-N 3.08Å; I487-S494 WeakPolarHBondContact O-CA 3.1Å; I487-S494 VanDerWaalsContact O-CB 3.31Å; I487-S494 WeakPolarHBondContact O-CB 3.44Å; C488-S494 PolarHBondContact SG-N 2.85Å; S494-V509 CarbonylContact O-C 3.51Å; S494-V509 WeakPolarHBondContact O-CA 3.45Å; S494-T510 PolarHBondContact O-N 2.86Å; S494-T510 PolarHBondContact O-OG1 3.42Å
495	S	93.9	Very high	93	Very high	3 Å²	3	20 Å²	20	2%	0.021	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	135.3	-173.8	-161.1	0	0	0	0	115	Q436 N437 D507 I508 R570	Q436-S495 WeakPolarHBondContact O-CB 3.27Å; N437-S495 PolarHBondContact OD1-N 3.07Å; N437-S495 PolarHBondContact OD1-O 3.22Å; S495-D507 PolarHBondContact OG-OD1 2.93Å; S495-I508 WeakPolarHBondContact CA-O 3.36Å; S495-I508 WeakPolarHBondContact CB-O 3.24Å; S495-I508 PolarHBondContact OG-O 3.29Å; S495-R570 PolarHBondContact OG-NH2 3.34Å
496	Q	92.5	Very high	92.9	Very high	7 Å²	7	20.1 Å²	20.1	3%	0.033	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	152.3	-179.1	-174.2	174.5	-3.2	0	0	110.4	P31 H34 Y498 I508	P31-Q496 PolarHBondContact O-NE2 3.35Å; H34-Q496 PolarHBondContact CE1-NE2 3.42Å; H34-Q496 PolarHBondContact NE2-NE2 3.43Å; Q496-Y498 HydrophobicContact CB-CE2 3.76Å; Q496-Y498 HydrophobicContact CG-CE1 4.35Å; Q496-Y498 HydrophobicContact CG-CE2 4.2Å; Q496-Y498 WeakPolarHBondContact O-CD2 3.19Å; Q496-Y498 WeakPolarHBondContact O-CE2 3.25Å; Q496-Y498 PolarHBondContact OE1-OH 3.41Å; Q496-Y498 VanDerWaalsContact OE1-OH 3.09Å; Q496-I508 PolarHBondContact N-O 2.83Å; Q496-I508 PolarHBondContact O-N 3.13Å
497	T	94	Very high	92.8	Very high	9 Å²	9	20.5 Å²	20.5	6%	0.055	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	124.6	175.7	-47.5	0	0	0	0	110.6	H34 L74 P75 L505 H506 D507	H34-T497 PolarHBondContact CE1-O 3.42Å; L74-T497 HydrophobicContact CD1-CG2 3.7Å; P75-T497 WeakPolarHBondContact CD-O 3.23Å; T497-L505 HydrophobicContact CG2-CB 4.11Å; T497-L505 HydrophobicContact CG2-CD2 3.88Å; T497-H506 WeakPolarHBondContact CA-O 3.43Å; T497-D507 PolarHBondContact OG1-OD2 2.99Å
498	Y	94.7	Very high	92.7	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.016	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	163.9	175.6	-56.5	-88.1	0	0	0	110.3	P31 Y36 Q496 L505 H506 I508 W531 F532	P31-Y498 HydrophobicContact CB-CE1 4.17Å; P31-Y498 VanDerWaalsContact CB-OH 3.27Å; P31-Y498 WeakPolarHBondContact CB-OH 3.46Å; Y36-Y498 AromaticContact CE1-CD1 3.86Å; Y36-Y498 HydrophobicContact CE1-CD1 3.86Å; Y36-Y498 WeakPolarHBondContact OH-CA 3.32Å; Q496-Y498 HydrophobicContact CB-CE2 3.76Å; Q496-Y498 HydrophobicContact CG-CE1 4.35Å; Q496-Y498 HydrophobicContact CG-CE2 4.2Å; Q496-Y498 WeakPolarHBondContact O-CD2 3.19Å; Q496-Y498 WeakPolarHBondContact O-CE2 3.25Å; Q496-Y498 PolarHBondContact OE1-OH 3.41Å; Q496-Y498 VanDerWaalsContact OE1-OH 3.09Å; Y498-L505 CarbonylContact O-C 3.48Å; Y498-L505 WeakPolarHBondContact O-CA 3.26Å; Y498-H506 PolarHBondContact N-O 3.32Å; Y498-H506 PolarHBondContact O-N 3.14Å; Y498-I508 HydrophobicContact CD2-CB 4.31Å; Y498-I508 HydrophobicContact CD2-CD1 3.84Å; Y498-I508 HydrophobicContact CD2-CG1 4.31Å; Y498-I508 HydrophobicContact CE2-CB 4.37Å; Y498-I508 HydrophobicContact CE2-CD1 4.48Å; Y498-W531 VanDerWaalsContact CB-CD2 3.42Å; Y498-W531 HydrophobicContact CD1-CB 3.54Å; Y498-W531 AromaticContact CD1-CD1 3.98Å; Y498-W531 HydrophobicContact CD1-CD2 4.15Å; Y498-W531 AromaticContact CD1-CG 3.58Å; Y498-W531 HydrophobicContact CD1-CG 3.58Å; Y498-W531 HydrophobicContact CD2-CD2 4.25Å; Y498-W531 HydrophobicContact CD2-CE3 4.22Å; Y498-W531 HydrophobicContact CD2-CG 4.45Å; Y498-W531 HydrophobicContact CE1-CB 3.79Å; Y498-W531 HydrophobicContact CE1-CG 4.33Å; Y498-W531 HydrophobicContact CG-CB 3.96Å; Y498-W531 AromaticContact CG-CD2 3.69Å; Y498-W531 HydrophobicContact CG-CD2 3.69Å; Y498-W531 HydrophobicContact CG-CE3 4.13Å; Y498-W531 AromaticContact CG-CG 3.64Å; Y498-W531 HydrophobicContact CG-CG 3.64Å; Y498-F532 HydrophobicContact CE2-CZ 4.39Å
499	I	94.2	Very high	92.7	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139.9	177.7	-165.5	164.4	0	0	0	110	Y36 L37 P75 I77 G503 I504 L505 W531	Y36-I499 HydrophobicContact CE2-CG2 3.88Å; Y36-I499 WeakPolarHBondContact CE2-O 3.37Å; Y36-I499 PolarHBondContact OH-N 2.8Å; Y36-I499 VanDerWaalsContact OH-N 3.1Å; L37-I499 HydrophobicContact CD1-CG2 4.24Å; L37-I499 HydrophobicContact CD2-CG2 3.63Å; L37-I499 HydrophobicContact CG-CG2 4.4Å; P75-I499 HydrophobicContact CB-CB 4.41Å; P75-I499 HydrophobicContact CB-CG2 3.89Å; P75-I499 HydrophobicContact CG-CB 4.23Å; P75-I499 HydrophobicContact CG-CG2 4.13Å; I77-I499 HydrophobicContact CB-CD1 3.68Å; I77-I499 HydrophobicContact CD1-CD1 4.09Å; I77-I499 HydrophobicContact CD1-CG1 4.28Å; I77-I499 HydrophobicContact CD1-CG2 4.16Å; I77-I499 HydrophobicContact CG1-CD1 3.79Å; I499-G503 WeakPolarHBondContact CD1-O 3.28Å; I499-I504 WeakPolarHBondContact CA-O 3.31Å; I499-L505 HydrophobicContact CB-CD2 3.84Å; I499-L505 HydrophobicContact CD1-CD2 3.98Å; I499-L505 HydrophobicContact CD1-CG 4.36Å; I499-L505 HydrophobicContact CG1-CD2 4.03Å; I499-L505 HydrophobicContact CG1-CG 4.47Å; I499-W531 PolarHBondContact O-NE1 3.29Å
500	N	92.2	Very high	92.8	Very high	33 Å²	33	21 Å²	21	18%	0.176	12%	0.119	C	C	.	.			trans	-89.4	169.2	174.3	80.1	3.3	0	0	0	111	S502 G503 I504 W531	N500-S502 PolarHBondContact O-N 3.4Å; N500-S502 VanDerWaalsContact O-N 3.08Å; N500-S502 WeakPolarHBondContact OD1-CA 3.22Å; N500-S502 WeakPolarHBondContact OD1-CB 3.44Å; N500-S502 PolarHBondContact OD1-N 3.16Å; N500-G503 PolarHBondContact O-N 2.92Å; N500-G503 PolarHBondContact OD1-N 2.68Å; N500-I504 PolarHBondContact N-O 3.02Å; N500-I504 WeakPolarHBondContact OD1-CB 3.37Å; N500-I504 PolarHBondContact OD1-N 3.01Å; N500-W531 HydrophobicContact CB-CZ2 4.4Å
501	P	88.6	Confident	92.9	Very high	69 Å²	69	21 Å²	21	45%	0.448	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.3	179.8	-28.7	37.5	0	0	0	115	G503 Y529	P501-G503 VanDerWaalsContact C-N 3.25Å; P501-G503 PolarHBondContact O-N 3.11Å; P501-Y529 HydrophobicContact CB-CD2 4.44Å; P501-Y529 HydrophobicContact CB-CE1 4.46Å; P501-Y529 HydrophobicContact CB-CE2 4.25Å; P501-Y529 HydrophobicContact CG-CD1 3.68Å; P501-Y529 HydrophobicContact CG-CD2 3.38Å; P501-Y529 HydrophobicContact CG-CE1 3.89Å; P501-Y529 HydrophobicContact CG-CE2 3.63Å; P501-Y529 HydrophobicContact CG-CG 3.41Å; P501-Y529 VanDerWaalsContact CG-CG 3.41Å
502	S	87.6	Confident	93.1	Very high	88 Å²	88	18.4 Å²	18.4	62%	0.615	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	4.3	177.3	-51.1	0	0	0	0	113.3	Y79 N500 I504	Y79-S502 WeakPolarHBondContact CE1-O 3.31Å; N500-S502 PolarHBondContact O-N 3.4Å; N500-S502 VanDerWaalsContact O-N 3.08Å; N500-S502 WeakPolarHBondContact OD1-CA 3.22Å; N500-S502 WeakPolarHBondContact OD1-CB 3.44Å; N500-S502 PolarHBondContact OD1-N 3.16Å; S502-I504 VanDerWaalsContact C-N 3.34Å
503	G	89.6	Confident	93.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	81.4	6.8	-179.7	0	0	0	0	0	115.2	Y79 I499 N500 P501	Y79-G503 VanDerWaalsContact CE1-C 3.44Å; Y79-G503 WeakPolarHBondContact CE1-O 3.32Å; Y79-G503 PolarHBondContact OH-O 2.79Å; I499-G503 WeakPolarHBondContact CD1-O 3.28Å; N500-G503 PolarHBondContact O-N 2.92Å; N500-G503 PolarHBondContact OD1-N 2.68Å; P501-G503 VanDerWaalsContact C-N 3.25Å; P501-G503 PolarHBondContact O-N 3.11Å
504	I	91.3	Very high	93.3	Very high	73 Å²	73	18 Å²	18	37%	0.374	11%	0.107	S	C	.	.			trans	-80.3	126.2	-179.9	-54.3	174.9	0	0	0	109.7	Y79 I499 N500 S502	Y79-I504 HydrophobicContact CE1-CG1 4.37Å; Y79-I504 WeakPolarHBondContact OH-CA 3.22Å; I499-I504 WeakPolarHBondContact CA-O 3.31Å; N500-I504 PolarHBondContact N-O 3.02Å; N500-I504 WeakPolarHBondContact OD1-CB 3.37Å; N500-I504 PolarHBondContact OD1-N 3.01Å; S502-I504 VanDerWaalsContact C-N 3.34Å
505	L	93.1	Very high	93.3	Very high	15 Å²	15	19.7 Å²	19.7	8%	0.079	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	136.2	176.5	-69	164.8	0	0	0	111	R63 V66 L74 P75 L76 T497 Y498 I499	R63-L505 HydrophobicContact CB-CD1 4.25Å; R63-L505 HydrophobicContact CG-CD1 3.99Å; V66-L505 HydrophobicContact CG2-CB 4.09Å; V66-L505 HydrophobicContact CG2-CD1 3.57Å; V66-L505 HydrophobicContact CG2-CG 4.46Å; L74-L505 HydrophobicContact CD1-CD1 4.26Å; L74-L505 HydrophobicContact CD1-CD2 4.25Å; P75-L505 HydrophobicContact CG-CD2 4.29Å; P75-L505 VanDerWaalsContact O-CD2 3.23Å; P75-L505 WeakPolarHBondContact O-CD2 3.42Å; L76-L505 HydrophobicContact CD1-CD1 4.39Å; T497-L505 HydrophobicContact CG2-CB 4.11Å; T497-L505 HydrophobicContact CG2-CD2 3.88Å; Y498-L505 CarbonylContact O-C 3.48Å; Y498-L505 WeakPolarHBondContact O-CA 3.26Å; I499-L505 HydrophobicContact CB-CD2 3.84Å; I499-L505 HydrophobicContact CD1-CD2 3.98Å; I499-L505 HydrophobicContact CD1-CG 4.36Å; I499-L505 HydrophobicContact CG1-CD2 4.03Å; I499-L505 HydrophobicContact CG1-CG 4.47Å
506	H	92.6	Very high	93.3	Very high	11 Å²	11	23.3 Å²	23.3	5%	0.051	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	110.2	178.6	-65.8	-53.6	0	0	0	108.7	T497 Y498 I508 W531 W551	T497-H506 WeakPolarHBondContact CA-O 3.43Å; Y498-H506 PolarHBondContact N-O 3.32Å; Y498-H506 PolarHBondContact O-N 3.14Å; H506-I508 HydrophobicContact CB-CD1 4.08Å; H506-I508 HydrophobicContact CB-CG1 4.12Å; H506-W531 HydrophobicContact CB-CH2 3.82Å; H506-W531 HydrophobicContact CB-CZ2 4.34Å; H506-W531 AromaticContact CD2-CH2 3.55Å; H506-W531 AromaticContact CD2-CZ2 3.8Å; H506-W531 AromaticContact CG-CH2 3.98Å; H506-W551 HydrophobicContact CB-CH2 3.95Å; H506-W551 HydrophobicContact CB-CZ3 4.32Å; H506-W551 AromaticContact CD2-CH2 3.67Å; H506-W551 AromaticContact CG-CH2 3.54Å; H506-W551 AromaticContact ND1-CH2 3.83Å; H506-W551 AromaticContact NE2-CH2 3.97Å
507	D	92.1	Very high	93.4	Very high	8 Å²	8	30.1 Å²	30.1	4%	0.043	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	115.4	172.6	-150.7	-24.3	0	0	0	109.7	Q436 K445 S495 T497 R569 R570	Q436-D507 PolarHBondContact NE2-OD1 3.11Å; K445-D507 IonicContact NZ-OD2 3.82Å; S495-D507 PolarHBondContact OG-OD1 2.93Å; T497-D507 PolarHBondContact OG1-OD2 2.99Å; D507-R569 CarbonylContact O-C 3.45Å; D507-R569 WeakPolarHBondContact O-CA 3.28Å; D507-R570 PolarHBondContact O-N 3.42Å; D507-R570 IonicContact OD1-CZ 2.77Å; D507-R570 VanDerWaalsContact OD1-CZ 3.29Å; D507-R570 IonicContact OD1-NH1 3.7Å; D507-R570 PolarHBondContact OD1-NH1 3.32Å; D507-R570 IonicContact OD1-NH2 2.76Å; D507-R570 PolarHBondContact OD1-NH2 3Å; D507-R570 IonicContact OD2-CZ 3.62Å; D507-R570 VanDerWaalsContact OD2-CZ 3.26Å; D507-R570 IonicContact OD2-NH1 3.41Å; D507-R570 PolarHBondContact OD2-NH1 2.61Å; D507-R570 IonicContact OD2-NH2 3.47Å; D507-R570 PolarHBondContact OD2-NH2 2.76Å; D507-R570 VanDerWaalsContact OD2-NH2 3.13Å
508	I	94	Very high	93.5	Very high	1 Å²	1	30 Å²	30	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138.7	-162.9	-62.9	176.1	0	0	0	110	S495 Q496 Y498 H506 W531 W551 I568	S495-I508 WeakPolarHBondContact CA-O 3.36Å; S495-I508 WeakPolarHBondContact CB-O 3.24Å; S495-I508 PolarHBondContact OG-O 3.29Å; Q496-I508 PolarHBondContact N-O 2.83Å; Q496-I508 PolarHBondContact O-N 3.13Å; Y498-I508 HydrophobicContact CD2-CB 4.31Å; Y498-I508 HydrophobicContact CD2-CD1 3.84Å; Y498-I508 HydrophobicContact CD2-CG1 4.31Å; Y498-I508 HydrophobicContact CE2-CB 4.37Å; Y498-I508 HydrophobicContact CE2-CD1 4.48Å; H506-I508 HydrophobicContact CB-CD1 4.08Å; H506-I508 HydrophobicContact CB-CG1 4.12Å; I508-W531 HydrophobicContact CD1-CD2 4.4Å; I508-W531 HydrophobicContact CD1-CE3 3.3Å; I508-W531 HydrophobicContact CD1-CH2 3.69Å; I508-W531 HydrophobicContact CD1-CZ3 2.92Å; I508-W531 HydrophobicContact CG1-CZ3 4.36Å; I508-W551 HydrophobicContact CD1-CE3 4.03Å; I508-W551 HydrophobicContact CD1-CH2 4.47Å; I508-W551 HydrophobicContact CD1-CZ3 3.58Å; I508-W551 HydrophobicContact CG1-CZ3 4.08Å; I508-I568 CarbonylContact C-O 3.58Å; I508-I568 WeakPolarHBondContact CA-O 3.38Å
509	V	95.2	Very high	93.6	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.024	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	126.9	168.3	-177.2	0	0	0	0	108.3	I486 S494 V511 I568 R570	I486-V509 HydrophobicContact CG1-CG1 4.49Å; I486-V509 HydrophobicContact CG2-CG1 3.91Å; S494-V509 CarbonylContact O-C 3.51Å; S494-V509 WeakPolarHBondContact O-CA 3.45Å; V509-V511 HydrophobicContact CG1-CG1 4.22Å; V509-I568 PolarHBondContact N-O 2.96Å; V509-I568 PolarHBondContact O-N 3.22Å; V509-R570 HydrophobicContact CG2-CB 4.28Å; V509-R570 HydrophobicContact CG2-CG 4.18Å
510	T	96.8	Very high	93.7	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.031	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	126.3	176.7	47.7	0	0	0	0	111.3	I487 L489 S494 F532 F565 W566	I487-T510 PolarHBondContact N-O 3.06Å; I487-T510 VanDerWaalsContact O-O 3.11Å; I487-T510 PolarHBondContact O-OG1 3.17Å; L489-T510 HydrophobicContact CB-CG2 4.39Å; L489-T510 HydrophobicContact CD1-CG2 4.26Å; S494-T510 PolarHBondContact O-N 2.86Å; S494-T510 PolarHBondContact O-OG1 3.42Å; T510-F532 HydrophobicContact CG2-CE1 4.08Å; T510-F532 HydrophobicContact CG2-CE2 4.43Å; T510-F532 HydrophobicContact CG2-CZ 3.58Å; T510-F565 HydrophobicContact CG2-CD2 4.25Å; T510-F565 HydrophobicContact CG2-CE2 4.04Å; T510-W566 CarbonylContact C-O 3.5Å; T510-W566 WeakPolarHBondContact CA-O 3.22Å
511	V	96.1	Very high	94	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	141.2	177.9	-52.8	0	0	0	0	111.6	T481 Y485 I486 V509 V514 W566 I568	T481-V511 HydrophobicContact CG2-CG1 4.14Å; T481-V511 HydrophobicContact CG2-CG2 4.49Å; Y485-V511 CarbonylContact O-C 3.52Å; Y485-V511 WeakPolarHBondContact O-CA 3.42Å; Y485-V511 WeakPolarHBondContact O-CB 3.44Å; I486-V511 HydrophobicContact CG1-CG1 4.04Å; V509-V511 HydrophobicContact CG1-CG1 4.22Å; V511-V514 HydrophobicContact CG2-CG1 4.15Å; V511-W566 HydrophobicContact CG2-CB 3.7Å; V511-W566 HydrophobicContact CG2-CG 4.38Å; V511-W566 PolarHBondContact N-O 3.33Å; V511-W566 PolarHBondContact O-N 2.83Å; V511-I568 HydrophobicContact CG2-CG1 3.88Å
512	S	96.2	Very high	94.4	Very high	6 Å²	6	36.6 Å²	36.6	4%	0.042	21%	0.208	C	C	.	.	S	Bend	trans	-69.3	-40.5	179.5	57.3	0	0	0	0	111.7	Y485	Y485-S512 WeakPolarHBondContact CA-OG 3.46Å; Y485-S512 WeakPolarHBondContact CB-OG 3.28Å; Y485-S512 WeakPolarHBondContact CD1-OG 3.38Å; Y485-S512 PolarHBondContact O-N 3.43Å; Y485-S512 PolarHBondContact O-OG 3.09Å
513	Q	94.7	Very high	94.8	Very high	19 Å²	19	35.4 Å²	35.4	9%	0.089	21%	0.209	C	C	.	.			trans	-139.9	154.7	-173.2	-57.2	-177.6	29.9	0	0	111.3	P14 G16 E17 T481 Y485	P14-Q513 PolarHBondContact O-OE1 3.12Å; G16-Q513 VanDerWaalsContact CA-NE2 3.31Å; G16-Q513 VanDerWaalsContact CA-OE1 3.29Å; G16-Q513 PolarHBondContact O-NE2 3.25Å; E17-Q513 PolarHBondContact O-NE2 2.89Å; T481-Q513 WeakPolarHBondContact CB-O 3.45Å; T481-Q513 PolarHBondContact OG1-O 3.06Å; Y485-Q513 HydrophobicContact CD1-CB 4.08Å; Y485-Q513 HydrophobicContact CD1-CG 4.23Å; Y485-Q513 HydrophobicContact CD2-CB 3.88Å; Y485-Q513 HydrophobicContact CE1-CB 4.29Å; Y485-Q513 HydrophobicContact CE1-CG 4.3Å; Y485-Q513 HydrophobicContact CE2-CB 4.11Å; Y485-Q513 HydrophobicContact CG-CB 3.87Å; Y485-Q513 HydrophobicContact CG-CG 4.5Å
514	V	95.2	Very high	95.2	Very high	17 Å²	17	43.8 Å²	43.8	10%	0.103	25%	0.249	C	C	.	.			trans	-122.5	154.1	169.7	-63.1	0	0	0	0	107.7	I480 V511 V519 W566 I568	I480-V514 HydrophobicContact CG2-CG1 4.45Å; I480-V514 CarbonylContact O-C 3.57Å; I480-V514 WeakPolarHBondContact O-CA 3.37Å; I480-V514 WeakPolarHBondContact O-CB 3.49Å; V511-V514 HydrophobicContact CG2-CG1 4.15Å; V514-V519 HydrophobicContact CG2-CG2 3.72Å; V514-W566 HydrophobicContact CG1-CB 4.21Å; V514-W566 HydrophobicContact CG1-CD2 3.78Å; V514-W566 HydrophobicContact CG1-CE3 4.33Å; V514-W566 HydrophobicContact CG1-CG 3.71Å; V514-W566 HydrophobicContact CG2-CD2 4.05Å; V514-W566 VanDerWaalsContact CG2-CE2 3.48Å; V514-W566 HydrophobicContact CG2-CH2 4.04Å; V514-W566 HydrophobicContact CG2-CZ2 3.48Å; V514-W566 VanDerWaalsContact CG2-CZ2 3.48Å; V514-I568 HydrophobicContact CG1-CD1 4.34Å
515	T	95	Very high	95.5	Very high	38 Å²	38	42.8 Å²	42.8	23%	0.233	25%	0.252	C	S	.	.			trans	-53.9	130.8	175.7	-57.2	0	0	0	0	109.2	N479 I480 N517 S518	N479-T515 VanDerWaalsContact O-CB 3.28Å; N479-T515 WeakPolarHBondContact O-CB 3.33Å; N479-T515 PolarHBondContact O-OG1 3.31Å; N479-T515 VanDerWaalsContact O-OG1 3.12Å; I480-T515 PolarHBondContact O-N 3Å; I480-T515 PolarHBondContact O-OG1 3.38Å; T515-N517 PolarHBondContact O-N 3.02Å; T515-S518 VanDerWaalsContact O-CB 3.23Å; T515-S518 WeakPolarHBondContact O-CB 3.31Å; T515-S518 PolarHBondContact O-N 3.14Å; T515-S518 PolarHBondContact O-OG 2.74Å
516	P	93.9	Very high	95.7	Very high	79 Å²	79	43.7 Å²	43.7	51%	0.513	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	135.5	178.5	-28.8	35	0	0	0	112	P14 S518	P14-P516 HydrophobicContact CB-CG 3.71Å; P14-P516 HydrophobicContact CG-CG 4.39Å; P516-S518 PolarHBondContact O-N 2.73Å; P516-S518 VanDerWaalsContact O-N 3.12Å
517	N	94	Very high	95.8	Very high	149 Å²	149	45.7 Å²	45.7	80%	0.797	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	10.9	-179	-47.4	-43.5	0	0	0	115.8	T515 V519 S543	T515-N517 PolarHBondContact O-N 3.02Å; N517-V519 VanDerWaalsContact C-N 3.34Å; N517-S543 VanDerWaalsContact O-CB 3.25Å; N517-S543 WeakPolarHBondContact O-CB 3.16Å; N517-S543 PolarHBondContact O-OG 3.36Å
518	S	95.9	Very high	95.9	Very high	8 Å²	8	51.7 Å²	51.7	6%	0.056	31%	0.305	C	S	.	.	S	Bend	trans	-79.2	-16.3	176	65.8	0	0	0	0	114	N479 T515 P516 S543	N479-S518 WeakPolarHBondContact O-CB 3.5Å; T515-S518 VanDerWaalsContact O-CB 3.23Å; T515-S518 WeakPolarHBondContact O-CB 3.31Å; T515-S518 PolarHBondContact O-N 3.14Å; T515-S518 PolarHBondContact O-OG 2.74Å; P516-S518 PolarHBondContact O-N 2.73Å; P516-S518 VanDerWaalsContact O-N 3.12Å; S518-S543 VanDerWaalsContact C-OG 3.24Å; S518-S543 WeakPolarHBondContact CA-OG 3.1Å; S518-S543 PolarHBondContact O-N 3.14Å; S518-S543 PolarHBondContact O-OG 2.81Å
519	V	96.7	Very high	95.7	Very high	17 Å²	17	57 Å²	57	10%	0.103	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	144	-179	-62	0	0	0	0	111.7	V514 N517 N541 W566	V514-V519 HydrophobicContact CG2-CG2 3.72Å; N517-V519 VanDerWaalsContact C-N 3.34Å; V519-N541 CarbonylContact C-O 3.47Å; V519-N541 WeakPolarHBondContact CA-O 3.34Å; V519-W566 HydrophobicContact CB-CZ3 4.46Å; V519-W566 HydrophobicContact CG2-CE3 4.34Å; V519-W566 HydrophobicContact CG2-CH2 3.42Å; V519-W566 VanDerWaalsContact CG2-CH2 3.42Å; V519-W566 HydrophobicContact CG2-CZ2 4.21Å; V519-W566 HydrophobicContact CG2-CZ3 3.5Å; V519-W566 VanDerWaalsContact CG2-CZ3 3.5Å
520	N	97.4	Very high	95.7	Very high	67 Å²	67	57.5 Å²	57.5	36%	0.358	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	133.8	173.3	-69.7	-29.2	0	0	0	109.5	A540 N541	N520-A540 WeakPolarHBondContact O-CA 3.21Å; N520-N541 PolarHBondContact N-O 3.11Å; N520-N541 PolarHBondContact O-N 3.19Å
521	L	97.9	Very high	95.7	Very high	77 Å²	77	58.1 Å²	58.1	40%	0.403	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	135.7	175.3	-61.4	178.6	0	0	0	110.4	T538 I539 A540 L552 W566	L521-T538 HydrophobicContact CB-CG2 4.02Å; L521-T538 HydrophobicContact CD2-CG2 4.38Å; L521-I539 CarbonylContact C-O 3.58Å; L521-I539 VanDerWaalsContact CA-O 3.31Å; L521-I539 WeakPolarHBondContact CA-O 3.27Å; L521-A540 HydrophobicContact CD2-CB 4.15Å; L521-L552 HydrophobicContact CD1-CD2 3.51Å; L521-L552 HydrophobicContact CD2-CB 3.73Å; L521-L552 HydrophobicContact CD2-CD2 3.96Å; L521-L552 HydrophobicContact CG-CD2 4.39Å; L521-W566 HydrophobicContact CD2-CH2 3.8Å; L521-W566 HydrophobicContact CD2-CZ3 3.64Å
522	I	97.5	Very high	95.7	Very high	83 Å²	83	58 Å²	58	43%	0.426	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.2	-176.8	-52	-62.3	0	0	0	109.4	I539 N541	I522-I539 HydrophobicContact CB-CB 4.24Å; I522-I539 HydrophobicContact CB-CG2 4.24Å; I522-I539 PolarHBondContact N-O 3.04Å; I522-N541 HydrophobicContact CG1-CB 4.42Å
523	G	96.4	Very high	95.6	Very high	63 Å²	63	59.8 Å²	59.8	65%	0.649	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	77.9	-178.4	178	0	0	0	0	0	114.5
524	E	96.5	Very high	95.7	Very high	176 Å²	176	60.6 Å²	60.6	82%	0.822	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	158.3	176.8	-66.2	-60.2	147.3	0	0	111.5
525	A	97.4	Very high	95.8	Very high	53 Å²	53	59.9 Å²	59.9	44%	0.438	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	134.4	173.5	0	0	0	0	0	111	W537 T538	A525-W537 WeakPolarHBondContact CA-O 3.41Å; A525-T538 WeakPolarHBondContact CA-OG1 2.92Å; A525-T538 WeakPolarHBondContact CB-OG1 3.45Å
526	S	97.2	Very high	96	Very high	34 Å²	34	58.7 Å²	58.7	24%	0.238	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	141.5	176.5	-176.8	0	0	0	0	111.4	E528 S536 W537	S526-E528 VanDerWaalsContact OG-CB 3.3Å; S526-E528 WeakPolarHBondContact OG-CB 3.44Å; S526-E528 PolarHBondContact OG-N 3.31Å; S526-E528 VanDerWaalsContact OG-N 3.12Å; S526-S536 CarbonylContact O-C 3.55Å; S526-S536 WeakPolarHBondContact O-CA 3.41Å; S526-S536 VanDerWaalsContact O-CB 3.32Å; S526-S536 WeakPolarHBondContact O-CB 3.21Å; S526-W537 PolarHBondContact N-O 2.91Å; S526-W537 PolarHBondContact O-N 3.18Å; S526-W537 PolarHBondContact O-NE1 2.93Å
527	A	95.6	Very high	96.2	Very high	53 Å²	53	58 Å²	58	44%	0.438	33%	0.331	S	S	.	.			trans	-94.1	-5.1	170.7	0	0	0	0	0	112.6	Y529 S530 L556	A527-Y529 PolarHBondContact O-N 3.31Å; A527-S530 WeakPolarHBondContact O-CB 3.22Å; A527-S530 PolarHBondContact O-N 3.33Å; A527-L556 HydrophobicContact CB-CD1 3.96Å; A527-L556 HydrophobicContact CB-CD2 4.46Å
528	E	93.6	Very high	96.4	Very high	133 Å²	133	51.3 Å²	51.3	62%	0.621	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	130.7	-176.8	-158.3	-166.6	155.7	0	0	110.7	S526 S530 W537	S526-E528 VanDerWaalsContact OG-CB 3.3Å; S526-E528 WeakPolarHBondContact OG-CB 3.44Å; S526-E528 PolarHBondContact OG-N 3.31Å; S526-E528 VanDerWaalsContact OG-N 3.12Å; E528-S530 PolarHBondContact O-N 3.38Å; E528-S530 VanDerWaalsContact O-N 3.08Å; E528-W537 WeakPolarHBondContact O-CZ2 3.33Å; E528-W537 PolarHBondContact O-NE1 3.21Å
529	Y	91	Very high	96.5	Very high	114 Å²	114	53.8 Å²	53.8	45%	0.447	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	29.5	-177.1	-73.7	-85.5	0	0	0	115.1	P501 A527 W531	P501-Y529 HydrophobicContact CB-CD2 4.44Å; P501-Y529 HydrophobicContact CB-CE1 4.46Å; P501-Y529 HydrophobicContact CB-CE2 4.25Å; P501-Y529 HydrophobicContact CG-CD1 3.68Å; P501-Y529 HydrophobicContact CG-CD2 3.38Å; P501-Y529 HydrophobicContact CG-CE1 3.89Å; P501-Y529 HydrophobicContact CG-CE2 3.63Å; P501-Y529 HydrophobicContact CG-CG 3.41Å; P501-Y529 VanDerWaalsContact CG-CG 3.41Å; A527-Y529 PolarHBondContact O-N 3.31Å; Y529-W531 PolarHBondContact O-N 2.95Å
530	S	95.5	Very high	96.5	Very high	14 Å²	14	53 Å²	53	10%	0.098	30%	0.303	C	S	.	.			trans	-64.2	126.8	175.8	-172	0	0	0	0	111.3	A527 E528 F532 Y535	A527-S530 WeakPolarHBondContact O-CB 3.22Å; A527-S530 PolarHBondContact O-N 3.33Å; E528-S530 PolarHBondContact O-N 3.38Å; E528-S530 VanDerWaalsContact O-N 3.08Å; S530-F532 PolarHBondContact O-N 3.04Å; S530-F532 PolarHBondContact OG-N 2.72Å; S530-F532 PolarHBondContact OG-O 2.84Å; S530-F532 VanDerWaalsContact OG-O 3.12Å; S530-Y535 WeakPolarHBondContact CB-O 3.5Å; S530-Y535 PolarHBondContact OG-O 3.22Å
531	W	95.5	Very high	96.6	Very high	17 Å²	17	51.2 Å²	51.2	6%	0.064	29%	0.294	C	S	.	.	S	Bend	trans	-73.3	-15.4	176.2	-56.9	-38.7	0	0	0	113.7	Y36 Y498 I499 N500 H506 I508 Y529 P533 W551 F553	Y36-W531 AromaticContact CD1-CD1 3.65Å; Y36-W531 HydrophobicContact CD1-CG 4.47Å; Y36-W531 AromaticContact CD2-CD1 3.87Å; Y36-W531 HydrophobicContact CE1-CB 4.42Å; Y36-W531 AromaticContact CE1-CD1 3.44Å; Y36-W531 VanDerWaalsContact CE1-CD1 3.44Å; Y36-W531 HydrophobicContact CE1-CG 4.21Å; Y36-W531 AromaticContact CE2-CD1 3.69Å; Y36-W531 AromaticContact CE2-NE1 3.76Å; Y36-W531 AromaticContact CG-CD1 3.85Å; Y36-W531 AromaticContact CZ-CD1 3.45Å; Y36-W531 VanDerWaalsContact CZ-CD1 3.45Å; Y36-W531 AromaticContact CZ-NE1 3.8Å; Y498-W531 VanDerWaalsContact CB-CD2 3.42Å; Y498-W531 HydrophobicContact CD1-CB 3.54Å; Y498-W531 AromaticContact CD1-CD1 3.98Å; Y498-W531 HydrophobicContact CD1-CD2 4.15Å; Y498-W531 AromaticContact CD1-CG 3.58Å; Y498-W531 HydrophobicContact CD1-CG 3.58Å; Y498-W531 HydrophobicContact CD2-CD2 4.25Å; Y498-W531 HydrophobicContact CD2-CE3 4.22Å; Y498-W531 HydrophobicContact CD2-CG 4.45Å; Y498-W531 HydrophobicContact CE1-CB 3.79Å; Y498-W531 HydrophobicContact CE1-CG 4.33Å; Y498-W531 HydrophobicContact CG-CB 3.96Å; Y498-W531 AromaticContact CG-CD2 3.69Å; Y498-W531 HydrophobicContact CG-CD2 3.69Å; Y498-W531 HydrophobicContact CG-CE3 4.13Å; Y498-W531 AromaticContact CG-CG 3.64Å; Y498-W531 HydrophobicContact CG-CG 3.64Å; I499-W531 PolarHBondContact O-NE1 3.29Å; N500-W531 HydrophobicContact CB-CZ2 4.4Å; H506-W531 HydrophobicContact CB-CH2 3.82Å; H506-W531 HydrophobicContact CB-CZ2 4.34Å; H506-W531 AromaticContact CD2-CH2 3.55Å; H506-W531 AromaticContact CD2-CZ2 3.8Å; H506-W531 AromaticContact CG-CH2 3.98Å; I508-W531 HydrophobicContact CD1-CD2 4.4Å; I508-W531 HydrophobicContact CD1-CE3 3.3Å; I508-W531 HydrophobicContact CD1-CH2 3.69Å; I508-W531 HydrophobicContact CD1-CZ3 2.92Å; I508-W531 HydrophobicContact CG1-CZ3 4.36Å; Y529-W531 PolarHBondContact O-N 2.95Å; W531-P533 WeakPolarHBondContact O-CD 3.06Å; W531-W551 HydrophobicContact CH2-CE3 4.3Å; W531-W551 AromaticContact CH2-CH2 3.58Å; W531-W551 HydrophobicContact CH2-CH2 3.58Å; W531-W551 AromaticContact CH2-CZ2 3.86Å; W531-W551 HydrophobicContact CH2-CZ2 3.86Å; W531-W551 AromaticContact CH2-CZ3 3.82Å; W531-W551 HydrophobicContact CH2-CZ3 3.82Å; W531-W551 HydrophobicContact CZ3-CD2 4.16Å; W531-W551 AromaticContact CZ3-CE3 3.75Å; W531-W551 HydrophobicContact CZ3-CE3 3.75Å; W531-W551 AromaticContact CZ3-CH2 3.88Å; W531-W551 HydrophobicContact CZ3-CH2 3.88Å; W531-W551 HydrophobicContact CZ3-CZ2 4.25Å; W531-W551 AromaticContact CZ3-CZ3 3.61Å; W531-W551 HydrophobicContact CZ3-CZ3 3.61Å; W531-F553 HydrophobicContact CE3-CZ 4.12Å
532	F	96.2	Very high	96.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.275	C	S	.	.	S	Bend	trans	-116.5	94.8	176.6	-61.9	-89.9	0	0	0	108.1	F26 P31 L489 Y498 T510 S530 G534 Y535 F553 F565	F26-F532 HydrophobicContact CE1-CD1 4.25Å; F26-F532 HydrophobicContact CZ-CB 4.42Å; F26-F532 HydrophobicContact CZ-CD1 4.19Å; P31-F532 HydrophobicContact CB-CD1 4.36Å; P31-F532 HydrophobicContact CB-CE1 4.2Å; P31-F532 HydrophobicContact CG-CD1 3.78Å; P31-F532 HydrophobicContact CG-CE1 3.91Å; L489-F532 HydrophobicContact CB-CE1 4.19Å; Y498-F532 HydrophobicContact CE2-CZ 4.39Å; T510-F532 HydrophobicContact CG2-CE1 4.08Å; T510-F532 HydrophobicContact CG2-CE2 4.43Å; T510-F532 HydrophobicContact CG2-CZ 3.58Å; S530-F532 PolarHBondContact O-N 3.04Å; S530-F532 PolarHBondContact OG-N 2.72Å; S530-F532 PolarHBondContact OG-O 2.84Å; S530-F532 VanDerWaalsContact OG-O 3.12Å; F532-G534 PolarHBondContact O-N 3.18Å; F532-Y535 HydrophobicContact CB-CD2 3.85Å; F532-Y535 HydrophobicContact CB-CG 4.32Å; F532-Y535 WeakPolarHBondContact O-CB 3.41Å; F532-Y535 PolarHBondContact O-N 3.13Å; F532-F553 HydrophobicContact CB-CD1 4.38Å; F532-F553 AromaticContact CD2-CD1 3.87Å; F532-F553 HydrophobicContact CD2-CD1 3.87Å; F532-F553 HydrophobicContact CD2-CD2 4.44Å; F532-F553 AromaticContact CD2-CE1 3.56Å; F532-F553 HydrophobicContact CD2-CE1 3.56Å; F532-F553 HydrophobicContact CD2-CE2 4.17Å; F532-F553 HydrophobicContact CD2-CG 4.31Å; F532-F553 AromaticContact CD2-CZ 3.73Å; F532-F553 HydrophobicContact CD2-CZ 3.73Å; F532-F553 HydrophobicContact CE2-CE1 4.26Å; F532-F553 HydrophobicContact CE2-CE2 4.12Å; F532-F553 AromaticContact CE2-CZ 3.95Å; F532-F553 HydrophobicContact CE2-CZ 3.95Å; F532-F565 HydrophobicContact CB-CZ 3.99Å; F532-F565 HydrophobicContact CD1-CE2 4.36Å; F532-F565 AromaticContact CD1-CZ 3.82Å; F532-F565 HydrophobicContact CD1-CZ 3.82Å; F532-F565 HydrophobicContact CD2-CE2 4.04Å; F532-F565 AromaticContact CD2-CZ 3.74Å; F532-F565 HydrophobicContact CD2-CZ 3.74Å; F532-F565 HydrophobicContact CE1-CE2 4.3Å; F532-F565 HydrophobicContact CE1-CZ 4.21Å; F532-F565 AromaticContact CE2-CE2 3.96Å; F532-F565 HydrophobicContact CE2-CE2 3.96Å; F532-F565 HydrophobicContact CE2-CZ 4.13Å; F532-F565 HydrophobicContact CG-CE2 4.24Å; F532-F565 AromaticContact CG-CZ 3.57Å; F532-F565 HydrophobicContact CG-CZ 3.57Å; F532-F565 HydrophobicContact CZ-CE2 4.1Å; F532-F565 HydrophobicContact CZ-CZ 4.35Å
533	P	95.3	Very high	96.6	Very high	45 Å²	45	45 Å²	45	29%	0.292	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	134.7	-177.9	-28.3	36.3	0	0	0	112.1	F26 L30 W531	F26-P533 WeakPolarHBondContact CE2-O 3.22Å; L30-P533 HydrophobicContact CB-CG 4.26Å; L30-P533 HydrophobicContact CD1-CB 4.3Å; L30-P533 HydrophobicContact CD1-CG 4.42Å; W531-P533 WeakPolarHBondContact O-CD 3.06Å
534	G	96.2	Very high	96.6	Very high	36 Å²	36	45.6 Å²	45.6	37%	0.371	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	1.2	-174.3	0	0	0	0	0	114.9	F532 L556 L560	F532-G534 PolarHBondContact O-N 3.18Å; G534-L556 WeakPolarHBondContact O-CB 3.46Å; G534-L556 WeakPolarHBondContact O-CG 3.09Å; G534-L556 PolarHBondContact O-N 3.49Å; G534-L560 WeakPolarHBondContact O-CD2 3.31Å
535	Y	97.7	Very high	96.6	Very high	1 Å²	1	39.3 Å²	39.3	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	140.9	172.4	-66.7	-95.3	0	0	0	112	F26 S530 F532 F553 K554 A555 L560 P562 F565	F26-Y535 HydrophobicContact CD2-CD2 4.44Å; F26-Y535 AromaticContact CD2-CE2 3.67Å; F26-Y535 HydrophobicContact CD2-CE2 3.67Å; F26-Y535 HydrophobicContact CE2-CD2 4.37Å; F26-Y535 HydrophobicContact CE2-CE2 4.02Å; F26-Y535 HydrophobicContact CG-CE2 4.2Å; S530-Y535 WeakPolarHBondContact CB-O 3.5Å; S530-Y535 PolarHBondContact OG-O 3.22Å; F532-Y535 HydrophobicContact CB-CD2 3.85Å; F532-Y535 HydrophobicContact CB-CG 4.32Å; F532-Y535 WeakPolarHBondContact O-CB 3.41Å; F532-Y535 PolarHBondContact O-N 3.13Å; Y535-F553 HydrophobicContact CD1-CB 4.12Å; Y535-F553 HydrophobicContact CG-CB 4.41Å; Y535-K554 CarbonylContact C-O 3.47Å; Y535-K554 VanDerWaalsContact CA-O 3.25Å; Y535-K554 WeakPolarHBondContact CA-O 3.22Å; Y535-K554 VanDerWaalsContact CD1-C 3.41Å; Y535-A555 HydrophobicContact CD1-CB 4.21Å; Y535-A555 VanDerWaalsContact CD1-N 3.34Å; Y535-A555 HydrophobicContact CE1-CB 3.83Å; Y535-L560 HydrophobicContact CD2-CD2 3.93Å; Y535-L560 HydrophobicContact CE1-CD2 4.31Å; Y535-L560 HydrophobicContact CE2-CD2 3.4Å; Y535-L560 HydrophobicContact CE2-CG 4.08Å; Y535-P562 WeakPolarHBondContact CE1-O 3.49Å; Y535-P562 VanDerWaalsContact CZ-O 3.32Å; Y535-P562 VanDerWaalsContact OH-CD 3.32Å; Y535-P562 WeakPolarHBondContact OH-CD 3.46Å; Y535-P562 PolarHBondContact OH-O 3.12Å; Y535-F565 HydrophobicContact CD1-CD1 4.13Å; Y535-F565 AromaticContact CD1-CE1 3.54Å; Y535-F565 HydrophobicContact CD1-CE1 3.54Å; Y535-F565 HydrophobicContact CD1-CZ 4.49Å; Y535-F565 HydrophobicContact CD2-CE1 4.1Å; Y535-F565 AromaticContact CE1-CD1 3.83Å; Y535-F565 HydrophobicContact CE1-CD1 3.83Å; Y535-F565 AromaticContact CE1-CE1 3.5Å; Y535-F565 HydrophobicContact CE1-CE1 3.5Å; Y535-F565 HydrophobicContact CE2-CE1 4.02Å; Y535-F565 AromaticContact CG-CE1 3.87Å; Y535-F565 HydrophobicContact CG-CE1 3.87Å; Y535-F565 HydrophobicContact CG-CZ 4.49Å; Y535-F565 AromaticContact CZ-CE1 3.76Å
536	S	98	Very high	96.6	Very high	13 Å²	13	44.5 Å²	44.5	9%	0.091	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	156.4	158.6	56.3	0	0	0	0	110.5	S526 F553 K554	S526-S536 CarbonylContact O-C 3.55Å; S526-S536 WeakPolarHBondContact O-CA 3.41Å; S526-S536 VanDerWaalsContact O-CB 3.32Å; S526-S536 WeakPolarHBondContact O-CB 3.21Å; S536-F553 CarbonylContact O-C 3.55Å; S536-F553 WeakPolarHBondContact O-CA 3.01Å; S536-K554 PolarHBondContact N-O 3.08Å; S536-K554 PolarHBondContact O-N 3.28Å; S536-K554 PolarHBondContact OG-O 3.15Å
537	W	98	Very high	96.5	Very high	64 Å²	64	46.7 Å²	46.7	24%	0.242	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	150	174.6	53.1	-96.2	0	0	0	111.4	A525 S526 E528 I539 W551 L552 F553	A525-W537 WeakPolarHBondContact CA-O 3.41Å; S526-W537 PolarHBondContact N-O 2.91Å; S526-W537 PolarHBondContact O-N 3.18Å; S526-W537 PolarHBondContact O-NE1 2.93Å; E528-W537 WeakPolarHBondContact O-CZ2 3.33Å; E528-W537 PolarHBondContact O-NE1 3.21Å; W537-I539 HydrophobicContact CZ3-CG1 4.21Å; W537-W551 HydrophobicContact CB-CB 4.14Å; W537-W551 HydrophobicContact CB-CG 4.48Å; W537-W551 AromaticContact CE3-CD1 3.75Å; W537-L552 CarbonylContact C-O 3.59Å; W537-L552 WeakPolarHBondContact CA-O 3.47Å; W537-F553 HydrophobicContact CB-CD1 4Å; W537-F553 HydrophobicContact CB-CE1 3.74Å; W537-F553 HydrophobicContact CB-CZ 4.18Å; W537-F553 HydrophobicContact CG-CE1 4.47Å
538	T	98.3	Very high	96.5	Very high	9 Å²	9	46.3 Å²	46.3	6%	0.055	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	134.3	171	-53.1	0	0	0	0	108.4	L521 A525 A540 W551 L552	L521-T538 HydrophobicContact CB-CG2 4.02Å; L521-T538 HydrophobicContact CD2-CG2 4.38Å; A525-T538 WeakPolarHBondContact CA-OG1 2.92Å; A525-T538 WeakPolarHBondContact CB-OG1 3.45Å; T538-A540 PolarHBondContact O-N 3.36Å; T538-W551 CarbonylContact O-C 3.48Å; T538-W551 WeakPolarHBondContact O-CA 3.48Å; T538-L552 PolarHBondContact N-O 3.41Å; T538-L552 PolarHBondContact O-N 2.95Å
539	I	97.9	Very high	96.6	Very high	60 Å²	60	40 Å²	40	31%	0.308	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	137.6	-179.2	-63.5	171.3	0	0	0	109.6	L521 I522 W537	L521-I539 CarbonylContact C-O 3.58Å; L521-I539 VanDerWaalsContact CA-O 3.31Å; L521-I539 WeakPolarHBondContact CA-O 3.27Å; I522-I539 HydrophobicContact CB-CB 4.24Å; I522-I539 HydrophobicContact CB-CG2 4.24Å; I522-I539 PolarHBondContact N-O 3.04Å; W537-I539 HydrophobicContact CZ3-CG1 4.21Å
540	A	98.1	Very high	96.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.4	178.7	0	0	0	0	0	110.3	N520 L521 T538 M549 G550 W566	N520-A540 WeakPolarHBondContact O-CA 3.21Å; L521-A540 HydrophobicContact CD2-CB 4.15Å; T538-A540 PolarHBondContact O-N 3.36Å; A540-M549 WeakPolarHBondContact O-CA 3.39Å; A540-M549 WeakPolarHBondContact O-CB 3.38Å; A540-M549 PolarHBondContact O-N 3.29Å; A540-G550 PolarHBondContact N-O 3.38Å; A540-G550 PolarHBondContact O-N 3.13Å; A540-G550 VanDerWaalsContact O-N 3.14Å; A540-W566 HydrophobicContact CB-CE3 4.11Å; A540-W566 HydrophobicContact CB-CZ3 3.76Å
541	N	98	Very high	97	Very high	30 Å²	30	34.9 Å²	34.9	16%	0.16	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	150.5	176.3	-67.8	3.3	0	0	0	110.2	V519 N520 I522 S543 Y546 Q547 H548	V519-N541 CarbonylContact C-O 3.47Å; V519-N541 WeakPolarHBondContact CA-O 3.34Å; N520-N541 PolarHBondContact N-O 3.11Å; N520-N541 PolarHBondContact O-N 3.19Å; I522-N541 HydrophobicContact CG1-CB 4.42Å; N541-S543 PolarHBondContact O-N 3.13Å; N541-Y546 PolarHBondContact ND2-O 3.27Å; N541-Q547 CarbonylContact C-O 3.59Å; N541-Q547 VanDerWaalsContact CA-O 3.31Å; N541-Q547 WeakPolarHBondContact CA-O 3.44Å; N541-H548 WeakPolarHBondContact OD1-CA 3.42Å
542	C	98	Very high	97.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	131.7	171.9	178.6	0	0	0	0	109.4	C476 S544 C545 Y546 Q547 M549	C476-C542 VanDerWaalsContact SG-SG 3.69Å; C542-S544 PolarHBondContact O-N 3.06Å; C542-S544 PolarHBondContact SG-N 3.09Å; C542-C545 VanDerWaalsContact SG-SG 3.67Å; C542-Y546 WeakPolarHBondContact O-CA 3.28Å; C542-Y546 PolarHBondContact O-N 3.14Å; C542-Q547 PolarHBondContact N-O 2.71Å; C542-M549 HydrophobicContact CB-CG 3.8Å; C542-M549 HydrophobicContact CB-SD 3.98Å; C542-M549 VanDerWaalsContact N-CG 3.34Å
543	S	97.7	Very high	97.2	Very high	30 Å²	30	34.4 Å²	34.4	21%	0.21	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-23.5	-179.4	62.1	0	0	0	0	113.2	N517 S518 N541	N517-S543 VanDerWaalsContact O-CB 3.25Å; N517-S543 WeakPolarHBondContact O-CB 3.16Å; N517-S543 PolarHBondContact O-OG 3.36Å; S518-S543 VanDerWaalsContact C-OG 3.24Å; S518-S543 WeakPolarHBondContact CA-OG 3.1Å; S518-S543 PolarHBondContact O-N 3.14Å; S518-S543 PolarHBondContact O-OG 2.81Å; N541-S543 PolarHBondContact O-N 3.13Å
544	S	96.5	Very high	97.4	Very high	75 Å²	75	36.7 Å²	36.7	52%	0.524	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-47.3	-177.9	-50.7	0	0	0	0	113.5	C542	C542-S544 PolarHBondContact O-N 3.06Å; C542-S544 PolarHBondContact SG-N 3.09Å
545	C	97.2	Very high	97.4	Very high	44 Å²	44	36.1 Å²	36.1	30%	0.297	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-0.3	-175.2	67.3	0	0	0	0	114.8	C473 C476 C542 Q547	C473-C545 VanDerWaalsContact SG-SG 3.65Å; C476-C545 HydrophobicContact CB-CB 3.82Å; C476-C545 VanDerWaalsContact SG-SG 3.65Å; C542-C545 VanDerWaalsContact SG-SG 3.67Å; C545-Q547 PolarHBondContact O-N 3.29Å; C545-Q547 VanDerWaalsContact SG-CB 3.52Å
546	Y	97	Very high	97.4	Very high	162 Å²	162	41.2 Å²	41.2	64%	0.635	21%	0.209	S	C	*	.			trans	61.1	6.2	-178.3	-53.8	-80.8	0	0	0	115.8	N541 C542 H548	N541-Y546 PolarHBondContact ND2-O 3.27Å; C542-Y546 WeakPolarHBondContact O-CA 3.28Å; C542-Y546 PolarHBondContact O-N 3.14Å; Y546-H548 PolarHBondContact O-N 2.61Å
547	Q	95.7	Very high	97.3	Very high	81 Å²	81	45 Å²	45	38%	0.379	23%	0.228	S	C	.	.			trans	-59	133.2	173.2	-178.8	62.3	1.7	0	0	109.9	N541 C542 C545 M549	N541-Q547 CarbonylContact C-O 3.59Å; N541-Q547 VanDerWaalsContact CA-O 3.31Å; N541-Q547 WeakPolarHBondContact CA-O 3.44Å; C542-Q547 PolarHBondContact N-O 2.71Å; C545-Q547 PolarHBondContact O-N 3.29Å; C545-Q547 VanDerWaalsContact SG-CB 3.52Å; Q547-M549 PolarHBondContact O-N 3.36Å
548	H	95.9	Very high	97	Very high	45 Å²	45	47.9 Å²	47.9	21%	0.208	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	123.9	173.4	174.9	-142.5	0	0	0	109.1	N541 Y546 G550 W551 R569 T572	N541-H548 WeakPolarHBondContact OD1-CA 3.42Å; Y546-H548 PolarHBondContact O-N 2.61Å; H548-G550 PolarHBondContact NE2-O 3.09Å; H548-W551 AromaticContact CE1-CE2 3.93Å; H548-W551 AromaticContact CE1-CH2 3.93Å; H548-W551 AromaticContact CE1-CZ2 3.49Å; H548-W551 VanDerWaalsContact CE1-CZ2 3.49Å; H548-W551 WeakPolarHBondContact CE1-CZ2 3.27Å; H548-W551 AromaticContact NE2-CE2 3.78Å; H548-W551 AromaticContact NE2-CZ2 3.81Å; H548-R569 PolarHBondContact ND1-NE 3.04Å; H548-R569 PolarHBondContact ND1-NH1 3.21Å; H548-R569 PolarHBondContact O-NE 2.89Å; H548-R569 PolarHBondContact O-NH2 3.41Å; H548-T572 VanDerWaalsContact O-CG2 3.23Å; H548-T572 WeakPolarHBondContact O-CG2 3.26Å
549	M	95.1	Very high	96.7	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-32.5	-177.4	-66.3	-64.8	-61	0	0	111.3	C473 I480 A540 C542 Q547 I568 R569 T572 V573	C473-M549 HydrophobicContact CB-SD 4.46Å; I480-M549 HydrophobicContact CB-CE 4.47Å; I480-M549 HydrophobicContact CD1-CE 3.97Å; I480-M549 HydrophobicContact CG1-CE 3.68Å; I480-M549 HydrophobicContact CG2-CE 4.14Å; A540-M549 WeakPolarHBondContact O-CA 3.39Å; A540-M549 WeakPolarHBondContact O-CB 3.38Å; A540-M549 PolarHBondContact O-N 3.29Å; C542-M549 HydrophobicContact CB-CG 3.8Å; C542-M549 HydrophobicContact CB-SD 3.98Å; C542-M549 VanDerWaalsContact N-CG 3.34Å; Q547-M549 PolarHBondContact O-N 3.36Å; M549-I568 HydrophobicContact CE-CG2 4.25Å; M549-R569 WeakPolarHBondContact O-CB 3.47Å; M549-R569 WeakPolarHBondContact O-CG 3.45Å; M549-R569 PolarHBondContact O-N 3.34Å; M549-T572 WeakPolarHBondContact CE-O 3.39Å; M549-T572 WeakPolarHBondContact CE-OG1 3.39Å; M549-T572 PolarHBondContact O-OG1 2.71Å; M549-V573 HydrophobicContact CE-CG1 3.58Å
550	G	97	Very high	96.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.3	-133.6	-178.9	0	0	0	0	0	110.6	A540 H548 G567	A540-G550 PolarHBondContact N-O 3.38Å; A540-G550 PolarHBondContact O-N 3.13Å; A540-G550 VanDerWaalsContact O-N 3.14Å; H548-G550 PolarHBondContact NE2-O 3.09Å; G550-G567 CarbonylContact C-O 3.44Å; G550-G567 WeakPolarHBondContact CA-O 3.5Å
551	W	98.2	Very high	96.5	Very high	20 Å²	20	55.8 Å²	55.8	8%	0.076	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	145	-170.9	-52.7	-96.7	0	0	0	113	H506 I508 W531 W537 T538 H548 F553 W566 G567 R569	H506-W551 HydrophobicContact CB-CH2 3.95Å; H506-W551 HydrophobicContact CB-CZ3 4.32Å; H506-W551 AromaticContact CD2-CH2 3.67Å; H506-W551 AromaticContact CG-CH2 3.54Å; H506-W551 AromaticContact ND1-CH2 3.83Å; H506-W551 AromaticContact NE2-CH2 3.97Å; I508-W551 HydrophobicContact CD1-CE3 4.03Å; I508-W551 HydrophobicContact CD1-CH2 4.47Å; I508-W551 HydrophobicContact CD1-CZ3 3.58Å; I508-W551 HydrophobicContact CG1-CZ3 4.08Å; W531-W551 HydrophobicContact CH2-CE3 4.3Å; W531-W551 AromaticContact CH2-CH2 3.58Å; W531-W551 HydrophobicContact CH2-CH2 3.58Å; W531-W551 AromaticContact CH2-CZ2 3.86Å; W531-W551 HydrophobicContact CH2-CZ2 3.86Å; W531-W551 AromaticContact CH2-CZ3 3.82Å; W531-W551 HydrophobicContact CH2-CZ3 3.82Å; W531-W551 HydrophobicContact CZ3-CD2 4.16Å; W531-W551 AromaticContact CZ3-CE3 3.75Å; W531-W551 HydrophobicContact CZ3-CE3 3.75Å; W531-W551 AromaticContact CZ3-CH2 3.88Å; W531-W551 HydrophobicContact CZ3-CH2 3.88Å; W531-W551 HydrophobicContact CZ3-CZ2 4.25Å; W531-W551 AromaticContact CZ3-CZ3 3.61Å; W531-W551 HydrophobicContact CZ3-CZ3 3.61Å; W537-W551 HydrophobicContact CB-CB 4.14Å; W537-W551 HydrophobicContact CB-CG 4.48Å; W537-W551 AromaticContact CE3-CD1 3.75Å; T538-W551 CarbonylContact O-C 3.48Å; T538-W551 WeakPolarHBondContact O-CA 3.48Å; H548-W551 AromaticContact CE1-CE2 3.93Å; H548-W551 AromaticContact CE1-CH2 3.93Å; H548-W551 AromaticContact CE1-CZ2 3.49Å; H548-W551 VanDerWaalsContact CE1-CZ2 3.49Å; H548-W551 WeakPolarHBondContact CE1-CZ2 3.27Å; H548-W551 AromaticContact NE2-CE2 3.78Å; H548-W551 AromaticContact NE2-CZ2 3.81Å; W551-F553 HydrophobicContact CB-CD2 4.41Å; W551-F553 HydrophobicContact CB-CE2 3.84Å; W551-F553 HydrophobicContact CB-CZ 4.2Å; W551-W566 CarbonylContact O-C 3.41Å; W551-W566 WeakPolarHBondContact O-CA 3.3Å; W551-G567 PolarHBondContact N-O 3.33Å; W551-G567 PolarHBondContact O-N 2.69Å; W551-R569 HydrophobicContact CH2-CG 3.91Å; W551-R569 HydrophobicContact CZ3-CG 3.64Å
552	L	98.2	Very high	96.4	Very high	7 Å²	7	54.7 Å²	54.7	4%	0.037	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	123.4	162.5	172.5	61.2	0	0	0	108.9	L521 W537 T538 K554 K564 F565 W566	L521-L552 HydrophobicContact CD1-CD2 3.51Å; L521-L552 HydrophobicContact CD2-CB 3.73Å; L521-L552 HydrophobicContact CD2-CD2 3.96Å; L521-L552 HydrophobicContact CG-CD2 4.39Å; W537-L552 CarbonylContact C-O 3.59Å; W537-L552 WeakPolarHBondContact CA-O 3.47Å; T538-L552 PolarHBondContact N-O 3.41Å; T538-L552 PolarHBondContact O-N 2.95Å; L552-K554 HydrophobicContact CD2-CD 4.43Å; L552-K554 VanDerWaalsContact CD2-CE 3.45Å; L552-K554 HydrophobicContact CD2-CG 4.32Å; L552-K554 HydrophobicContact CG-CG 4.17Å; L552-K564 HydrophobicContact CD1-CB 4.24Å; L552-F565 WeakPolarHBondContact CD1-O 3.2Å; L552-W566 HydrophobicContact CB-CD2 4.3Å; L552-W566 HydrophobicContact CB-CE3 3.78Å; L552-W566 HydrophobicContact CB-CH2 4.12Å; L552-W566 HydrophobicContact CB-CZ3 3.68Å; L552-W566 HydrophobicContact CD1-CD2 3.89Å; L552-W566 HydrophobicContact CD1-CE3 4.24Å; L552-W566 HydrophobicContact CD1-CG 4.41Å; L552-W566 HydrophobicContact CD1-CH2 4.23Å; L552-W566 HydrophobicContact CD1-CZ2 3.88Å; L552-W566 HydrophobicContact CD1-CZ3 4.4Å; L552-W566 HydrophobicContact CD2-CH2 4.23Å; L552-W566 HydrophobicContact CD2-CZ2 4.42Å; L552-W566 HydrophobicContact CG-CH2 4.44Å; L552-W566 HydrophobicContact CG-CZ3 4.45Å
553	F	98.1	Very high	96.3	Very high	1 Å²	1	60.8 Å²	60.8	0%	0.004	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	130	171.8	-69.3	-90.8	0	0	0	110.3	W531 F532 Y535 S536 W537 W551 K564 F565	W531-F553 HydrophobicContact CE3-CZ 4.12Å; F532-F553 HydrophobicContact CB-CD1 4.38Å; F532-F553 AromaticContact CD2-CD1 3.87Å; F532-F553 HydrophobicContact CD2-CD1 3.87Å; F532-F553 HydrophobicContact CD2-CD2 4.44Å; F532-F553 AromaticContact CD2-CE1 3.56Å; F532-F553 HydrophobicContact CD2-CE1 3.56Å; F532-F553 HydrophobicContact CD2-CE2 4.17Å; F532-F553 HydrophobicContact CD2-CG 4.31Å; F532-F553 AromaticContact CD2-CZ 3.73Å; F532-F553 HydrophobicContact CD2-CZ 3.73Å; F532-F553 HydrophobicContact CE2-CE1 4.26Å; F532-F553 HydrophobicContact CE2-CE2 4.12Å; F532-F553 AromaticContact CE2-CZ 3.95Å; F532-F553 HydrophobicContact CE2-CZ 3.95Å; Y535-F553 HydrophobicContact CD1-CB 4.12Å; Y535-F553 HydrophobicContact CG-CB 4.41Å; S536-F553 CarbonylContact O-C 3.55Å; S536-F553 WeakPolarHBondContact O-CA 3.01Å; W537-F553 HydrophobicContact CB-CD1 4Å; W537-F553 HydrophobicContact CB-CE1 3.74Å; W537-F553 HydrophobicContact CB-CZ 4.18Å; W537-F553 HydrophobicContact CG-CE1 4.47Å; W551-F553 HydrophobicContact CB-CD2 4.41Å; W551-F553 HydrophobicContact CB-CE2 3.84Å; W551-F553 HydrophobicContact CB-CZ 4.2Å; F553-K564 CarbonylContact O-C 3.49Å; F553-K564 WeakPolarHBondContact O-CA 3.5Å; F553-K564 WeakPolarHBondContact O-CB 3.29Å; F553-F565 HydrophobicContact CB-CD1 3.86Å; F553-F565 HydrophobicContact CB-CD2 4.1Å; F553-F565 HydrophobicContact CB-CE1 3.45Å; F553-F565 VanDerWaalsContact CB-CE1 3.45Å; F553-F565 HydrophobicContact CB-CE2 3.7Å; F553-F565 HydrophobicContact CB-CG 4.17Å; F553-F565 HydrophobicContact CB-CZ 3.36Å; F553-F565 HydrophobicContact CD1-CZ 4.11Å; F553-F565 HydrophobicContact CD2-CD2 4.11Å; F553-F565 AromaticContact CD2-CE2 3.5Å; F553-F565 HydrophobicContact CD2-CE2 3.5Å; F553-F565 VanDerWaalsContact CD2-CE2 3.5Å; F553-F565 AromaticContact CD2-CZ 3.88Å; F553-F565 HydrophobicContact CD2-CZ 3.88Å; F553-F565 HydrophobicContact CE2-CE2 4.29Å; F553-F565 HydrophobicContact CG-CD2 4.39Å; F553-F565 HydrophobicContact CG-CE1 4.14Å; F553-F565 AromaticContact CG-CE2 3.65Å; F553-F565 HydrophobicContact CG-CE2 3.65Å; F553-F565 AromaticContact CG-CZ 3.5Å; F553-F565 HydrophobicContact CG-CZ 3.5Å; F553-F565 PolarHBondContact N-O 3.32Å; F553-F565 PolarHBondContact O-N 2.83Å
554	K	97.5	Very high	96.2	Very high	93 Å²	93	65.1 Å²	65.1	40%	0.404	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	133.1	175.8	-71.2	-177.8	-177.9	173.8	0	110.3	Y535 S536 L552 L556 K564	Y535-K554 CarbonylContact C-O 3.47Å; Y535-K554 VanDerWaalsContact CA-O 3.25Å; Y535-K554 WeakPolarHBondContact CA-O 3.22Å; Y535-K554 VanDerWaalsContact CD1-C 3.41Å; S536-K554 PolarHBondContact N-O 3.08Å; S536-K554 PolarHBondContact O-N 3.28Å; S536-K554 PolarHBondContact OG-O 3.15Å; L552-K554 HydrophobicContact CD2-CD 4.43Å; L552-K554 VanDerWaalsContact CD2-CE 3.45Å; L552-K554 HydrophobicContact CD2-CG 4.32Å; L552-K554 HydrophobicContact CG-CG 4.17Å; K554-L556 PolarHBondContact O-N 2.92Å; K554-K564 HydrophobicContact CG-CB 4.28Å
555	A	97.6	Very high	96.2	Very high	23 Å²	23	61.5 Å²	61.5	19%	0.19	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	134.5	177.8	0	0	0	0	0	110.3	Y535 N557 L560 R563	Y535-A555 HydrophobicContact CD1-CB 4.21Å; Y535-A555 VanDerWaalsContact CD1-N 3.34Å; Y535-A555 HydrophobicContact CE1-CB 3.83Å; A555-N557 VanDerWaalsContact C-N 3.29Å; A555-L560 HydrophobicContact CB-CB 4.04Å; A555-L560 HydrophobicContact CB-CD2 4.2Å; A555-L560 HydrophobicContact CB-CG 4.42Å; A555-R563 WeakPolarHBondContact CB-O 3.31Å; A555-R563 PolarHBondContact N-O 3.5Å
556	L	97	Very high	96.3	Very high	108 Å²	108	60.7 Å²	60.7	57%	0.565	28%	0.28	S	S	*	.	S	Bend	trans	-77.6	-20	173.8	-63.2	175.1	0	0	0	112.2	A527 G534 K554	A527-L556 HydrophobicContact CB-CD1 3.96Å; A527-L556 HydrophobicContact CB-CD2 4.46Å; G534-L556 WeakPolarHBondContact O-CB 3.46Å; G534-L556 WeakPolarHBondContact O-CG 3.09Å; G534-L556 PolarHBondContact O-N 3.49Å; K554-L556 PolarHBondContact O-N 2.92Å
557	N	95.3	Very high	96.3	Very high	93 Å²	93	53 Å²	53	50%	0.497	25%	0.249	S	C	.	.	S	Bend	trans	-120.6	130.5	179.9	-178.5	-19.4	0	0	0	110.2	A555 Q559 L560	A555-N557 VanDerWaalsContact C-N 3.29Å; N557-Q559 PolarHBondContact O-N 2.98Å; N557-Q559 VanDerWaalsContact O-N 3.09Å; N557-Q559 PolarHBondContact OD1-N 2.85Å; N557-L560 HydrophobicContact CB-CB 4.43Å; N557-L560 WeakPolarHBondContact O-CB 3.41Å; N557-L560 PolarHBondContact O-N 3.32Å
558	D	91.7	Very high	96.3	Very high	125 Å²	125	49.2 Å²	49.2	67%	0.668	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-16.8	179.8	-71.9	-29	0	0	0	115.1	R561	D558-R561 PolarHBondContact O-NH1 3.29Å; D558-R561 PolarHBondContact O-NH2 2.57Å
559	Q	93.9	Very high	96.2	Very high	136 Å²	136	48.6 Å²	48.6	64%	0.636	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-20.7	175.4	-57.5	-56.6	-23.5	0	0	113	N25 N557	N25-Q559 PolarHBondContact ND2-O 3.41Å; N557-Q559 PolarHBondContact O-N 2.98Å; N557-Q559 VanDerWaalsContact O-N 3.09Å; N557-Q559 PolarHBondContact OD1-N 2.85Å
560	L	95.4	Very high	96	Very high	31 Å²	31	49.4 Å²	49.4	16%	0.162	23%	0.231	C	C	.	.	S	Bend	trans	-72.5	137	-178.7	-171.7	66.3	0	0	0	110	F26 G534 Y535 A555 N557	F26-L560 HydrophobicContact CB-CD1 4.16Å; F26-L560 HydrophobicContact CD2-CD1 4.29Å; G534-L560 WeakPolarHBondContact O-CD2 3.31Å; Y535-L560 HydrophobicContact CD2-CD2 3.93Å; Y535-L560 HydrophobicContact CE1-CD2 4.31Å; Y535-L560 HydrophobicContact CE2-CD2 3.4Å; Y535-L560 HydrophobicContact CE2-CG 4.08Å; A555-L560 HydrophobicContact CB-CB 4.04Å; A555-L560 HydrophobicContact CB-CD2 4.2Å; A555-L560 HydrophobicContact CB-CG 4.42Å; N557-L560 HydrophobicContact CB-CB 4.43Å; N557-L560 WeakPolarHBondContact O-CB 3.41Å; N557-L560 PolarHBondContact O-N 3.32Å
561	R	95.4	Very high	95.5	Very high	68 Å²	68	52.2 Å²	52.2	26%	0.257	24%	0.244	S	C	.	.	S	Bend	trans	-130.8	133.8	-179.4	-67.5	-68.7	176.6	-74.7	-10.2	109.9	D23 N25 F26 D558 R563	D23-R561 WeakPolarHBondContact O-CB 3.29Å; N25-R561 PolarHBondContact N-O 3.47Å; N25-R561 PolarHBondContact OD1-N 3.38Å; N25-R561 PolarHBondContact OD1-O 2.92Å; F26-R561 WeakPolarHBondContact CB-O 3.35Å; F26-R561 PolarHBondContact N-O 3.45Å; D558-R561 PolarHBondContact O-NH1 3.29Å; D558-R561 PolarHBondContact O-NH2 2.57Å; R561-R563 VanDerWaalsContact CZ-NE 3.34Å; R561-R563 VanDerWaalsContact NH1-CG 3.32Å
562	P	96.1	Very high	95.2	Very high	7 Å²	7	51.3 Å²	51.3	5%	0.045	24%	0.241	C	C	.	.	S	Bend	cis	-71.8	153.4	4.4	30.7	-37.4	0	0	0	113.6	I19 L489 Y535 K564 F565	I19-P562 HydrophobicContact CD1-CB 3.31Å; I19-P562 HydrophobicContact CD1-CG 3.96Å; I19-P562 HydrophobicContact CG1-CB 4Å; I19-P562 HydrophobicContact CG2-CB 4.38Å; L489-P562 HydrophobicContact CD1-CG 4.26Å; L489-P562 HydrophobicContact CD2-CG 3.99Å; Y535-P562 WeakPolarHBondContact CE1-O 3.49Å; Y535-P562 VanDerWaalsContact CZ-O 3.32Å; Y535-P562 VanDerWaalsContact OH-CD 3.32Å; Y535-P562 WeakPolarHBondContact OH-CD 3.46Å; Y535-P562 PolarHBondContact OH-O 3.12Å; P562-K564 VanDerWaalsContact C-N 3.3Å; P562-K564 PolarHBondContact O-N 2.85Å; P562-F565 HydrophobicContact CG-CB 4.4Å; P562-F565 HydrophobicContact CG-CD1 3.91Å; P562-F565 HydrophobicContact CG-CG 4.5Å
563	R	95.5	Very high	94.7	Very high	127 Å²	127	51.3 Å²	51.3	48%	0.479	24%	0.241	S	C	.	.	S	Bend	trans	-68.3	-32.9	179.6	-78.2	-177.9	166.3	171.4	-6.2	112.8	A555 R561	A555-R563 WeakPolarHBondContact CB-O 3.31Å; A555-R563 PolarHBondContact N-O 3.5Å; R561-R563 VanDerWaalsContact CZ-NE 3.34Å; R561-R563 VanDerWaalsContact NH1-CG 3.32Å
564	K	96.2	Very high	94.1	Very high	121 Å²	121	53 Å²	53	53%	0.526	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	153.7	174.3	65	-179.6	-178.1	179.7	0	109.4	L552 F553 K554 P562	L552-K564 HydrophobicContact CD1-CB 4.24Å; F553-K564 CarbonylContact O-C 3.49Å; F553-K564 WeakPolarHBondContact O-CA 3.5Å; F553-K564 WeakPolarHBondContact O-CB 3.29Å; K554-K564 HydrophobicContact CG-CB 4.28Å; P562-K564 VanDerWaalsContact C-N 3.3Å; P562-K564 PolarHBondContact O-N 2.85Å
565	F	97.2	Very high	93.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	174.9	171.2	66.2	-86.8	0	0	0	107.9	I487 L489 T510 F532 Y535 L552 F553 P562	I487-F565 HydrophobicContact CD1-CB 4.21Å; L489-F565 HydrophobicContact CD1-CB 4.11Å; L489-F565 HydrophobicContact CD1-CD1 3.57Å; L489-F565 HydrophobicContact CD1-CD2 3.41Å; L489-F565 VanDerWaalsContact CD1-CD2 3.41Å; L489-F565 HydrophobicContact CD1-CE1 3.71Å; L489-F565 HydrophobicContact CD1-CE2 3.58Å; L489-F565 HydrophobicContact CD1-CG 3.41Å; L489-F565 VanDerWaalsContact CD1-CG 3.41Å; L489-F565 HydrophobicContact CD1-CZ 3.73Å; T510-F565 HydrophobicContact CG2-CD2 4.25Å; T510-F565 HydrophobicContact CG2-CE2 4.04Å; F532-F565 HydrophobicContact CB-CZ 3.99Å; F532-F565 HydrophobicContact CD1-CE2 4.36Å; F532-F565 AromaticContact CD1-CZ 3.82Å; F532-F565 HydrophobicContact CD1-CZ 3.82Å; F532-F565 HydrophobicContact CD2-CE2 4.04Å; F532-F565 AromaticContact CD2-CZ 3.74Å; F532-F565 HydrophobicContact CD2-CZ 3.74Å; F532-F565 HydrophobicContact CE1-CE2 4.3Å; F532-F565 HydrophobicContact CE1-CZ 4.21Å; F532-F565 AromaticContact CE2-CE2 3.96Å; F532-F565 HydrophobicContact CE2-CE2 3.96Å; F532-F565 HydrophobicContact CE2-CZ 4.13Å; F532-F565 HydrophobicContact CG-CE2 4.24Å; F532-F565 AromaticContact CG-CZ 3.57Å; F532-F565 HydrophobicContact CG-CZ 3.57Å; F532-F565 HydrophobicContact CZ-CE2 4.1Å; F532-F565 HydrophobicContact CZ-CZ 4.35Å; Y535-F565 HydrophobicContact CD1-CD1 4.13Å; Y535-F565 AromaticContact CD1-CE1 3.54Å; Y535-F565 HydrophobicContact CD1-CE1 3.54Å; Y535-F565 HydrophobicContact CD1-CZ 4.49Å; Y535-F565 HydrophobicContact CD2-CE1 4.1Å; Y535-F565 AromaticContact CE1-CD1 3.83Å; Y535-F565 HydrophobicContact CE1-CD1 3.83Å; Y535-F565 AromaticContact CE1-CE1 3.5Å; Y535-F565 HydrophobicContact CE1-CE1 3.5Å; Y535-F565 HydrophobicContact CE2-CE1 4.02Å; Y535-F565 AromaticContact CG-CE1 3.87Å; Y535-F565 HydrophobicContact CG-CE1 3.87Å; Y535-F565 HydrophobicContact CG-CZ 4.49Å; Y535-F565 AromaticContact CZ-CE1 3.76Å; L552-F565 WeakPolarHBondContact CD1-O 3.2Å; F553-F565 HydrophobicContact CB-CD1 3.86Å; F553-F565 HydrophobicContact CB-CD2 4.1Å; F553-F565 HydrophobicContact CB-CE1 3.45Å; F553-F565 VanDerWaalsContact CB-CE1 3.45Å; F553-F565 HydrophobicContact CB-CE2 3.7Å; F553-F565 HydrophobicContact CB-CG 4.17Å; F553-F565 HydrophobicContact CB-CZ 3.36Å; F553-F565 HydrophobicContact CD1-CZ 4.11Å; F553-F565 HydrophobicContact CD2-CD2 4.11Å; F553-F565 AromaticContact CD2-CE2 3.5Å; F553-F565 HydrophobicContact CD2-CE2 3.5Å; F553-F565 VanDerWaalsContact CD2-CE2 3.5Å; F553-F565 AromaticContact CD2-CZ 3.88Å; F553-F565 HydrophobicContact CD2-CZ 3.88Å; F553-F565 HydrophobicContact CE2-CE2 4.29Å; F553-F565 HydrophobicContact CG-CD2 4.39Å; F553-F565 HydrophobicContact CG-CE1 4.14Å; F553-F565 AromaticContact CG-CE2 3.65Å; F553-F565 HydrophobicContact CG-CE2 3.65Å; F553-F565 AromaticContact CG-CZ 3.5Å; F553-F565 HydrophobicContact CG-CZ 3.5Å; F553-F565 PolarHBondContact N-O 3.32Å; F553-F565 PolarHBondContact O-N 2.83Å; P562-F565 HydrophobicContact CG-CB 4.4Å; P562-F565 HydrophobicContact CG-CD1 3.91Å; P562-F565 HydrophobicContact CG-CG 4.5Å
566	W	97.7	Very high	91.7	Very high	27 Å²	27	49.1 Å²	49.1	10%	0.102	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	140.1	179.7	-55	78.8	0	0	0	110.2	T510 V511 V514 V519 L521 A540 W551 L552 I568	T510-W566 CarbonylContact C-O 3.5Å; T510-W566 WeakPolarHBondContact CA-O 3.22Å; V511-W566 HydrophobicContact CG2-CB 3.7Å; V511-W566 HydrophobicContact CG2-CG 4.38Å; V511-W566 PolarHBondContact N-O 3.33Å; V511-W566 PolarHBondContact O-N 2.83Å; V514-W566 HydrophobicContact CG1-CB 4.21Å; V514-W566 HydrophobicContact CG1-CD2 3.78Å; V514-W566 HydrophobicContact CG1-CE3 4.33Å; V514-W566 HydrophobicContact CG1-CG 3.71Å; V514-W566 HydrophobicContact CG2-CD2 4.05Å; V514-W566 VanDerWaalsContact CG2-CE2 3.48Å; V514-W566 HydrophobicContact CG2-CH2 4.04Å; V514-W566 HydrophobicContact CG2-CZ2 3.48Å; V514-W566 VanDerWaalsContact CG2-CZ2 3.48Å; V519-W566 HydrophobicContact CB-CZ3 4.46Å; V519-W566 HydrophobicContact CG2-CE3 4.34Å; V519-W566 HydrophobicContact CG2-CH2 3.42Å; V519-W566 VanDerWaalsContact CG2-CH2 3.42Å; V519-W566 HydrophobicContact CG2-CZ2 4.21Å; V519-W566 HydrophobicContact CG2-CZ3 3.5Å; V519-W566 VanDerWaalsContact CG2-CZ3 3.5Å; L521-W566 HydrophobicContact CD2-CH2 3.8Å; L521-W566 HydrophobicContact CD2-CZ3 3.64Å; A540-W566 HydrophobicContact CB-CE3 4.11Å; A540-W566 HydrophobicContact CB-CZ3 3.76Å; W551-W566 CarbonylContact O-C 3.41Å; W551-W566 WeakPolarHBondContact O-CA 3.3Å; L552-W566 HydrophobicContact CB-CD2 4.3Å; L552-W566 HydrophobicContact CB-CE3 3.78Å; L552-W566 HydrophobicContact CB-CH2 4.12Å; L552-W566 HydrophobicContact CB-CZ3 3.68Å; L552-W566 HydrophobicContact CD1-CD2 3.89Å; L552-W566 HydrophobicContact CD1-CE3 4.24Å; L552-W566 HydrophobicContact CD1-CG 4.41Å; L552-W566 HydrophobicContact CD1-CH2 4.23Å; L552-W566 HydrophobicContact CD1-CZ2 3.88Å; L552-W566 HydrophobicContact CD1-CZ3 4.4Å; L552-W566 HydrophobicContact CD2-CH2 4.23Å; L552-W566 HydrophobicContact CD2-CZ2 4.42Å; L552-W566 HydrophobicContact CG-CH2 4.44Å; L552-W566 HydrophobicContact CG-CZ3 4.45Å; W566-I568 HydrophobicContact CB-CD1 4.13Å; W566-I568 HydrophobicContact CB-CG1 4.36Å
567	G	97.1	Very high	89.8	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	106.1	165.2	0	0	0	0	0	109.1	G550 W551	G550-G567 CarbonylContact C-O 3.44Å; G550-G567 WeakPolarHBondContact CA-O 3.5Å; W551-G567 PolarHBondContact N-O 3.33Å; W551-G567 PolarHBondContact O-N 2.69Å
568	I	95.8	Very high	87.8	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	130.5	-179.3	-55	-61.3	0	0	0	109.5	I508 V509 V511 V514 M549 W566 R570 V573	I508-I568 CarbonylContact C-O 3.58Å; I508-I568 WeakPolarHBondContact CA-O 3.38Å; V509-I568 PolarHBondContact N-O 2.96Å; V509-I568 PolarHBondContact O-N 3.22Å; V511-I568 HydrophobicContact CG2-CG1 3.88Å; V514-I568 HydrophobicContact CG1-CD1 4.34Å; M549-I568 HydrophobicContact CE-CG2 4.25Å; W566-I568 HydrophobicContact CB-CD1 4.13Å; W566-I568 HydrophobicContact CB-CG1 4.36Å; I568-R570 PolarHBondContact O-N 2.89Å; I568-V573 HydrophobicContact CG2-CB 4.5Å; I568-V573 HydrophobicContact CG2-CG1 3.56Å; I568-V573 HydrophobicContact CG2-CG2 4.12Å
569	R	94.4	Very high	85.7	Confident	32 Å²	32	45.9 Å²	45.9	12%	0.121	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	124.1	176.4	-63	-170.4	-56.8	165.5	7.2	109.6	D507 H548 M549 W551 Q571 T572	D507-R569 CarbonylContact O-C 3.45Å; D507-R569 WeakPolarHBondContact O-CA 3.28Å; H548-R569 PolarHBondContact ND1-NE 3.04Å; H548-R569 PolarHBondContact ND1-NH1 3.21Å; H548-R569 PolarHBondContact O-NE 2.89Å; H548-R569 PolarHBondContact O-NH2 3.41Å; M549-R569 WeakPolarHBondContact O-CB 3.47Å; M549-R569 WeakPolarHBondContact O-CG 3.45Å; M549-R569 PolarHBondContact O-N 3.34Å; W551-R569 HydrophobicContact CH2-CG 3.91Å; W551-R569 HydrophobicContact CZ3-CG 3.64Å; R569-Q571 VanDerWaalsContact C-N 3.28Å; R569-Q571 PolarHBondContact O-N 3.45Å; R569-T572 HydrophobicContact CB-CG2 3.78Å; R569-T572 WeakPolarHBondContact O-CB 3.11Å; R569-T572 PolarHBondContact O-N 2.88Å; R569-T572 PolarHBondContact O-OG1 2.94Å
570	R	90.8	Very high	83.5	Confident	16 Å²	16	41.6 Å²	41.6	6%	0.06	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-57.3	-39.7	-173	-163.1	-175.1	-54.4	111	-0.8	112.5	Q436 M440 S495 D507 V509 I568 T572 V573	Q436-R570 PolarHBondContact O-NH2 2.87Å; M440-R570 VanDerWaalsContact O-CD 3.23Å; M440-R570 WeakPolarHBondContact O-CD 3.49Å; S495-R570 PolarHBondContact OG-NH2 3.34Å; D507-R570 PolarHBondContact O-N 3.42Å; D507-R570 IonicContact OD1-CZ 2.77Å; D507-R570 VanDerWaalsContact OD1-CZ 3.29Å; D507-R570 IonicContact OD1-NH1 3.7Å; D507-R570 PolarHBondContact OD1-NH1 3.32Å; D507-R570 IonicContact OD1-NH2 2.76Å; D507-R570 PolarHBondContact OD1-NH2 3Å; D507-R570 IonicContact OD2-CZ 3.62Å; D507-R570 VanDerWaalsContact OD2-CZ 3.26Å; D507-R570 IonicContact OD2-NH1 3.41Å; D507-R570 PolarHBondContact OD2-NH1 2.61Å; D507-R570 IonicContact OD2-NH2 3.47Å; D507-R570 PolarHBondContact OD2-NH2 2.76Å; D507-R570 VanDerWaalsContact OD2-NH2 3.13Å; V509-R570 HydrophobicContact CG2-CB 4.28Å; V509-R570 HydrophobicContact CG2-CG 4.18Å; I568-R570 PolarHBondContact O-N 2.89Å; R570-T572 PolarHBondContact O-N 3.26Å; R570-T572 VanDerWaalsContact O-N 3.15Å; R570-V573 WeakPolarHBondContact O-CG2 3.42Å; R570-V573 PolarHBondContact O-N 3.36Å
571	Q	87.5	Confident	81.4	Confident	60 Å²	60	45.6 Å²	45.6	28%	0.28	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-67.5	-14	179.9	69.7	-90.2	47.6	0	0	114.3	D65 S474 R569	D65-Q571 PolarHBondContact OD2-NE2 3.18Å; S474-Q571 PolarHBondContact OG-O 2.7Å; R569-Q571 VanDerWaalsContact C-N 3.28Å; R569-Q571 PolarHBondContact O-N 3.45Å
572	T	90.1	Very high	79.6	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.006	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-91.2	-6.1	179.5	69.4	0	0	0	0	112.7	C473 S474 H548 M549 R569 R570	C473-T572 WeakPolarHBondContact CA-O 3.2Å; S474-T572 PolarHBondContact N-O 2.95Å; S474-T572 WeakPolarHBondContact OG-CA 3.47Å; S474-T572 PolarHBondContact OG-O 3.43Å; H548-T572 VanDerWaalsContact O-CG2 3.23Å; H548-T572 WeakPolarHBondContact O-CG2 3.26Å; M549-T572 WeakPolarHBondContact CE-O 3.39Å; M549-T572 WeakPolarHBondContact CE-OG1 3.39Å; M549-T572 PolarHBondContact O-OG1 2.71Å; R569-T572 HydrophobicContact CB-CG2 3.78Å; R569-T572 WeakPolarHBondContact O-CB 3.11Å; R569-T572 PolarHBondContact O-N 2.88Å; R569-T572 PolarHBondContact O-OG1 2.94Å; R570-T572 PolarHBondContact O-N 3.26Å; R570-T572 VanDerWaalsContact O-N 3.15Å
573	V	89.2	Confident	77.9	Confident	6 Å²	6	50.6 Å²	50.6	4%	0.036	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.1	178.8	-69.5	0	0	0	0	112.5	C471 V472 I480 M549 I568 R570	C471-V573 HydrophobicContact CB-CB 4.05Å; C471-V573 HydrophobicContact CB-CG1 4.25Å; V472-V573 CarbonylContact O-C 3.52Å; V472-V573 WeakPolarHBondContact O-CA 3.47Å; I480-V573 HydrophobicContact CB-CG1 4.46Å; I480-V573 HydrophobicContact CG1-CG1 4.45Å; I480-V573 HydrophobicContact CG2-CG1 4.46Å; M549-V573 HydrophobicContact CE-CG1 3.58Å; I568-V573 HydrophobicContact CG2-CB 4.5Å; I568-V573 HydrophobicContact CG2-CG1 3.56Å; I568-V573 HydrophobicContact CG2-CG2 4.12Å; R570-V573 WeakPolarHBondContact O-CG2 3.42Å; R570-V573 PolarHBondContact O-N 3.36Å
574	V	83.9	Confident	76.2	Confident	37 Å²	37	52.7 Å²	52.7	22%	0.224	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	152.1	170.9	-65.3	0	0	0	0	110.1	C471 V472 G576	C471-V574 WeakPolarHBondContact CA-O 3.35Å; V472-V574 HydrophobicContact CG2-CG2 3.5Å; V472-V574 PolarHBondContact N-O 2.99Å; V472-V574 PolarHBondContact O-N 2.95Å; V574-G576 PolarHBondContact O-N 2.83Å
575	P	81.4	Confident	74.3	Confident	5 Å²	5	47.2 Å²	47.2	3%	0.032	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	122.8	173.7	-28.3	35.9	0	0	0	112.2	P439 A470 L577 I578	P439-P575 WeakPolarHBondContact O-CD 3.16Å; P439-P575 WeakPolarHBondContact O-CG 3.47Å; A470-P575 CarbonylContact O-C 3.55Å; A470-P575 WeakPolarHBondContact O-CA 3.41Å; P575-L577 PolarHBondContact O-N 3.43Å; P575-I578 HydrophobicContact CB-CD1 3.86Å; P575-I578 HydrophobicContact CB-CG1 4.1Å; P575-I578 HydrophobicContact CG-CD1 4.09Å; P575-I578 PolarHBondContact O-N 3.21Å
576	G	64.3	Low	72.6	Confident	30 Å²	30	52.2 Å²	52.2	31%	0.309	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	11.8	-172	0	0	0	0	0	116.8	A470 V574	A470-G576 PolarHBondContact O-N 3.48Å; V574-G576 PolarHBondContact O-N 2.83Å
577	L	58	Low	70.5	Confident	90 Å²	90	54.5 Å²	54.5	47%	0.471	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	0.6	171	-66	179.3	0	0	0	112.9	R467 T469 P575	R467-L577 WeakPolarHBondContact O-CD1 3.36Å; T469-L577 HydrophobicContact CG2-CD1 3.56Å; T469-L577 VanDerWaalsContact OG1-CD1 3.22Å; T469-L577 WeakPolarHBondContact OG1-CD1 3.5Å; T469-L577 VanDerWaalsContact OG1-CG 3.31Å; T469-L577 WeakPolarHBondContact OG1-CG 3.25Å; P575-L577 PolarHBondContact O-N 3.43Å
578	I	53.2	Low	69.1	Low	35 Å²	35	57.2 Å²	57.2	18%	0.179	33%	0.326	C	S	.	.			trans	-111.9	87.5	-177.4	-53	178.1	0	0	0	108.6	P575 A580 W583	P575-I578 HydrophobicContact CB-CD1 3.86Å; P575-I578 HydrophobicContact CB-CG1 4.1Å; P575-I578 HydrophobicContact CG-CD1 4.09Å; P575-I578 PolarHBondContact O-N 3.21Å; I578-A580 WeakPolarHBondContact CG2-O 3.3Å; I578-W583 HydrophobicContact CD1-CE3 4.04Å; I578-W583 HydrophobicContact CD1-CZ3 4.36Å; I578-W583 HydrophobicContact CG2-CB 3.95Å
579	S	47.7	Very low	67.7	Low	132 Å²	132	60.1 Å²	60.1	92%	0.923	34%	0.342	S	S	*	.			trans	-84.6	7.9	166.8	62.5	0	0	0	0	113.3
580	A	47	Very low	66.2	Low	47 Å²	47	61.7 Å²	61.7	39%	0.388	35%	0.354	S	S	.	.			trans	-112	110.9	-177.9	0	0	0	0	0	110.7	I578 D582 W583	I578-A580 WeakPolarHBondContact CG2-O 3.3Å; A580-D582 PolarHBondContact O-N 2.81Å; A580-W583 HydrophobicContact CB-CB 4.21Å; A580-W583 PolarHBondContact O-N 3.47Å; A580-W583 VanDerWaalsContact O-N 3.15Å
581	S	51.6	Low	64.8	Low	114 Å²	114	64.4 Å²	64.4	80%	0.797	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-19.5	162.5	49.1	0	0	0	0	113.1
582	D	56.4	Low	63.4	Low	135 Å²	135	64.6 Å²	64.6	72%	0.722	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-1	-173.4	-57.2	-21.1	0	0	0	113.7	A580 R584	A580-D582 PolarHBondContact O-N 2.81Å; D582-R584 PolarHBondContact O-N 2.88Å
583	W	60.5	Low	61.6	Low	46 Å²	46	68.9 Å²	68.9	17%	0.174	40%	0.402	C	S	.	.			trans	-66.1	126.2	178.8	-177.3	78.6	0	0	0	110.5	L444 E463 V464 R467 I578 A580 P585	L444-W583 HydrophobicContact CD1-CE3 4.38Å; L444-W583 HydrophobicContact CD1-CZ3 4.03Å; L444-W583 HydrophobicContact CD2-CE3 4.16Å; L444-W583 HydrophobicContact CD2-CZ3 3.8Å; E463-W583 HydrophobicContact CB-CH2 4.42Å; E463-W583 HydrophobicContact CG-CH2 3.84Å; E463-W583 HydrophobicContact CG-CZ2 3.51Å; V464-W583 HydrophobicContact CG2-CH2 4.05Å; V464-W583 HydrophobicContact CG2-CZ3 3.95Å; R467-W583 VanDerWaalsContact CZ-NE1 3.27Å; I578-W583 HydrophobicContact CD1-CE3 4.04Å; I578-W583 HydrophobicContact CD1-CZ3 4.36Å; I578-W583 HydrophobicContact CG2-CB 3.95Å; A580-W583 HydrophobicContact CB-CB 4.21Å; A580-W583 PolarHBondContact O-N 3.47Å; A580-W583 VanDerWaalsContact O-N 3.15Å; W583-P585 HydrophobicContact CH2-CB 3.76Å; W583-P585 HydrophobicContact CH2-CG 4.3Å; W583-P585 HydrophobicContact CZ2-CB 4.17Å; W583-P585 HydrophobicContact CZ3-CB 4.36Å; W583-P585 HydrophobicContact CZ3-CG 4.42Å
584	R	59.8	Low	59.6	Low	170 Å²	170	73.4 Å²	73.4	64%	0.642	43%	0.428	S	S	*	.			trans	-124.3	138	171.6	-61.8	-175.9	-175.9	-169.6	-0	108.5	D582 C586	D582-R584 PolarHBondContact O-N 2.88Å; R584-C586 PolarHBondContact O-N 3.05Å
585	P	57.7	Low	57.8	Low	6 Å²	6	76.2 Å²	76.2	4%	0.039	44%	0.444	C	S	.	.			trans	-57.6	138.9	173.5	20.2	-27.4	0	0	0	109.7	L444 I448 A460 W583 I587	L444-P585 HydrophobicContact CD1-CG 4.3Å; I448-P585 HydrophobicContact CG1-CG 4.31Å; A460-P585 HydrophobicContact CB-CB 3.61Å; A460-P585 HydrophobicContact CB-CG 3.53Å; W583-P585 HydrophobicContact CH2-CB 3.76Å; W583-P585 HydrophobicContact CH2-CG 4.3Å; W583-P585 HydrophobicContact CZ2-CB 4.17Å; W583-P585 HydrophobicContact CZ3-CB 4.36Å; W583-P585 HydrophobicContact CZ3-CG 4.42Å; P585-I587 PolarHBondContact O-N 3.05Å
586	C	59.7	Low	55.8	Low	106 Å²	106	82.1 Å²	82.1	72%	0.716	48%	0.478	S	S	*	.			trans	-67.8	106.4	169.8	-66.2	0	0	0	0	108	R584	R584-C586 PolarHBondContact O-N 3.05Å
587	I	53.8	Low	55	Low	74 Å²	74	86.8 Å²	86.8	38%	0.379	49%	0.494	S	S	.	.			trans	-73.2	0	-176.6	-70.2	174	0	0	0	112.4	I451 Q456 R459 P585	I451-I587 HydrophobicContact CD1-CD1 3.63Å; I451-I587 HydrophobicContact CD1-CG1 3.93Å; I451-I587 HydrophobicContact CG1-CD1 3.88Å; Q456-I587 HydrophobicContact CB-CG2 3.7Å; Q456-I587 HydrophobicContact CG-CG2 3.61Å; R459-I587 PolarHBondContact NH1-O 2.85Å; R459-I587 PolarHBondContact NH1-OXT 2.95Å; P585-I587 PolarHBondContact O-N 3.05Å

Retrieved 587 of 587 residues in 720.3 ms (Link to these results)

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