A0A3Q0KKC3_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KKC3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 656 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	35.8	Very low	227 Å²	227	189.2 Å²	189.2	100%	1.118	87%	0.873	S	S	*	*				0	171.5	0	-70.9	-179	176.6	0	0	109.1
2	F	35.7	Very low	35.7	Very low	209 Å²	209	187.7 Å²	187.7	92%	0.917	86%	0.862	S	S	*	*			trans	71.4	120	-168.2	-57.2	-73	0	0	0	114.1
3	S	32.7	Very low	36.4	Very low	112 Å²	112	182.5 Å²	182.5	78%	0.783	84%	0.836	S	S	*	*			trans	-114.2	158.6	-158.3	-56.5	0	0	0	0	112.3	V5	S3-V5 PolarHBondContact O-N 2.62Å; S3-V5 VanDerWaalsContact O-N 3.16Å
4	R	32.7	Very low	36.6	Very low	239 Å²	239	175.5 Å²	175.5	90%	0.902	82%	0.816	S	S	*	*			trans	-49.1	115.8	173.3	-68.4	167.8	167.2	157.6	-6.6	111.9	Q6	R4-Q6 PolarHBondContact O-N 3.4Å
5	V	40	Very low	37.2	Very low	141 Å²	141	173.3 Å²	173.3	86%	0.855	81%	0.806	S	S	*	*			trans	-83.1	101.3	157.5	179.7	0	0	0	0	107.3	S3 F7	S3-V5 PolarHBondContact O-N 2.62Å; S3-V5 VanDerWaalsContact O-N 3.16Å; V5-F7 PolarHBondContact O-N 3.15Å
6	Q	33.3	Very low	37.9	Very low	171 Å²	171	171.9 Å²	171.9	80%	0.799	81%	0.806	S	S	*	*			trans	-70.4	116.5	169.9	-80.8	-163.3	-6	0	0	109.5	R4 R8	R4-Q6 PolarHBondContact O-N 3.4Å; Q6-R8 PolarHBondContact O-N 3.4Å
7	F	36.6	Very low	38.9	Very low	187 Å²	187	167.9 Å²	167.9	82%	0.82	79%	0.787	S	S	*	*			trans	-68.3	99.6	172	-159.6	-88.5	0	0	0	108.9	V5 R9	V5-F7 PolarHBondContact O-N 3.15Å; F7-R9 PolarHBondContact O-N 3.3Å
8	R	36.4	Very low	40.7	Very low	230 Å²	230	161 Å²	161	87%	0.868	76%	0.756	S	S	*	*			trans	-57.9	111.5	-176.8	-167.2	179.1	-169	179.3	4	108.9	Q6 T10	Q6-R8 PolarHBondContact O-N 3.4Å; R8-T10 PolarHBondContact O-N 3.27Å
9	R	31.3	Very low	42.6	Very low	238 Å²	238	153.1 Å²	153.1	90%	0.898	72%	0.72	S	S	*	*			trans	-54.8	104.4	179.4	-78.7	179.2	172	154.8	-4.1	109.7	F7	F7-R9 PolarHBondContact O-N 3.3Å
10	T	40.8	Very low	44.5	Very low	120 Å²	120	147.3 Å²	147.3	74%	0.736	69%	0.693	S	S	*	*			trans	-67.2	141.2	163.2	43.4	0	0	0	0	108.4	R8 K12	R8-T10 PolarHBondContact O-N 3.27Å; T10-K12 PolarHBondContact O-N 3.48Å
11	F	40.8	Very low	46.3	Very low	207 Å²	207	143.7 Å²	143.7	91%	0.908	68%	0.683	S	S	*	*			trans	-58.8	126.1	176	-90.8	-113.4	0	0	0	109.4	K13	F11-K13 PolarHBondContact O-N 3.2Å; F11-K13 VanDerWaalsContact O-N 3.1Å
12	K	34.6	Very low	48.7	Very low	171 Å²	171	137.5 Å²	137.5	74%	0.743	65%	0.65	S	S	*	*			trans	-59.7	114.1	159.9	-98.7	-159.5	170.5	-157.5	0	106.9	T10 E15	T10-K12 PolarHBondContact O-N 3.48Å; K12-E15 IonicContact NZ-OE1 3.3Å; K12-E15 PolarHBondContact NZ-OE1 2.82Å
13	K	44.1	Very low	51.1	Low	121 Å²	121	128 Å²	128	53%	0.526	61%	0.609	S	S	.	*			trans	-59.4	144.4	156.3	-79.3	-172.3	169.4	-170.7	0	108.2	F11	F11-K13 PolarHBondContact O-N 3.2Å; F11-K13 VanDerWaalsContact O-N 3.1Å
14	P	39.4	Very low	53.6	Low	84 Å²	84	124.9 Å²	124.9	55%	0.545	58%	0.583	S	S	.	*			trans	-59.7	142.6	170.4	27	-34	0	0	0	109.5	D16 Q17	P14-D16 PolarHBondContact O-N 3.49Å; P14-Q17 HydrophobicContact CG-CB 4.37Å; P14-Q17 HydrophobicContact CG-CG 4.2Å; P14-Q17 PolarHBondContact O-N 3.21Å
15	E	45.8	Very low	56.1	Low	143 Å²	143	118.6 Å²	118.6	67%	0.668	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-3.3	-162.9	-61.4	-176	177.1	0	0	114.4	K12	K12-E15 IonicContact NZ-OE1 3.3Å; K12-E15 PolarHBondContact NZ-OE1 2.82Å
16	D	47.9	Very low	58.5	Low	150 Å²	150	113.7 Å²	113.7	80%	0.802	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-13.4	172.1	-67.8	-59.5	0	0	0	114.6	P14 D18	P14-D16 PolarHBondContact O-N 3.49Å; D16-D18 PolarHBondContact O-N 3.26Å; D16-D18 VanDerWaalsContact O-N 3.09Å
17	Q	55.5	Low	61.3	Low	105 Å²	105	111.1 Å²	111.1	49%	0.491	53%	0.53	S	S	.	.			trans	-88.8	55.9	176.2	-70.6	-165.4	3.9	0	0	112.5	P14 T19	P14-Q17 HydrophobicContact CG-CB 4.37Å; P14-Q17 HydrophobicContact CG-CG 4.2Å; P14-Q17 PolarHBondContact O-N 3.21Å; Q17-T19 PolarHBondContact O-N 3.16Å
18	D	72.1	Confident	64.1	Low	43 Å²	43	102.4 Å²	102.4	23%	0.23	49%	0.492	C	S	.	.			trans	-55.7	-27.9	177.9	-97.1	-14.1	0	0	0	114.5	D16 R96 L170 K176	D16-D18 PolarHBondContact O-N 3.26Å; D16-D18 VanDerWaalsContact O-N 3.09Å; D18-R96 IonicContact OD2-CZ 2.75Å; D18-R96 IonicContact OD2-NH1 2.7Å; D18-R96 IonicContact OD2-NH2 2.8Å; D18-R96 PolarHBondContact OD2-NH2 3.23Å; D18-L170 HydrophobicContact CB-CD2 3.62Å; D18-L170 VanDerWaalsContact O-CD2 3.27Å; D18-L170 WeakPolarHBondContact O-CD2 3.34Å; D18-K176 WeakPolarHBondContact OD2-CD 3.3Å; D18-K176 WeakPolarHBondContact OD2-CE 3.33Å; D18-K176 WeakPolarHBondContact OD2-CG 3.25Å; D18-K176 IonicContact OD2-NZ 2.79Å
19	T	76.9	Confident	67	Low	10 Å²	10	95.7 Å²	95.7	6%	0.061	48%	0.477	C	S	.	.	S	Bend	trans	-132.7	137.4	180	-55.7	0	0	0	0	107.7	Q17 P21 L23 L24 P95 Q99 K178	Q17-T19 PolarHBondContact O-N 3.16Å; T19-P21 WeakPolarHBondContact O-CD 3.05Å; T19-L23 HydrophobicContact CG2-CB 4.44Å; T19-L23 HydrophobicContact CG2-CD1 4.36Å; T19-L24 HydrophobicContact CG2-CD1 4.26Å; T19-L24 HydrophobicContact CG2-CD2 4.13Å; T19-L24 HydrophobicContact CG2-CG 3.94Å; T19-P95 WeakPolarHBondContact OG1-CB 3.35Å; T19-Q99 HydrophobicContact CG2-CG 4.23Å; T19-K178 WeakPolarHBondContact OG1-CE 3.26Å; T19-K178 PolarHBondContact OG1-NZ 3.2Å
20	D	80.7	Confident	70.1	Confident	37 Å²	37	85.7 Å²	85.7	20%	0.198	44%	0.441	C	S	.	.			trans	-65	121.4	173	179.4	-20.6	0	0	0	108.9	F22 L23 R64	D20-F22 PolarHBondContact O-N 2.9Å; D20-F22 VanDerWaalsContact OD1-CB 3.29Å; D20-F22 WeakPolarHBondContact OD1-CB 3.49Å; D20-F22 PolarHBondContact OD1-N 2.79Å; D20-L23 HydrophobicContact CB-CD1 3.95Å; D20-L23 HydrophobicContact CB-CG 3.98Å; D20-L23 WeakPolarHBondContact O-CB 3.36Å; D20-L23 PolarHBondContact O-N 2.96Å; D20-R64 IonicContact OD2-CZ 2.82Å; D20-R64 IonicContact OD2-NH1 3.39Å; D20-R64 PolarHBondContact OD2-NH1 3.47Å; D20-R64 IonicContact OD2-NH2 2.72Å; D20-R64 PolarHBondContact OD2-NH2 3Å
21	P	82	Confident	72.8	Confident	72 Å²	72	84 Å²	84	47%	0.468	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-24.8	-178	-27.3	36.2	0	0	0	114.4	T19 L23 L24 T25	T19-P21 WeakPolarHBondContact O-CD 3.05Å; P21-L23 PolarHBondContact O-N 3.49Å; P21-L24 PolarHBondContact O-N 3.47Å; P21-T25 PolarHBondContact O-OG1 2.79Å
22	F	83.5	Confident	75.4	Confident	97 Å²	97	80 Å²	80	43%	0.425	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-27.1	175.6	-173.3	-122.4	0	0	0	112.9	D20 T25 K26 Y101	D20-F22 PolarHBondContact O-N 2.9Å; D20-F22 VanDerWaalsContact OD1-CB 3.29Å; D20-F22 WeakPolarHBondContact OD1-CB 3.49Å; D20-F22 PolarHBondContact OD1-N 2.79Å; F22-T25 PolarHBondContact O-OG1 3.09Å; F22-K26 HydrophobicContact CE1-CD 4.44Å; F22-K26 PolarHBondContact O-N 2.97Å; F22-Y101 AromaticContact CD1-CE2 3.85Å; F22-Y101 HydrophobicContact CD1-CE2 3.85Å; F22-Y101 AromaticContact CE1-CE2 3.63Å; F22-Y101 HydrophobicContact CE1-CE2 3.63Å
23	L	85.8	Confident	78.3	Confident	11 Å²	11	78.7 Å²	78.7	6%	0.058	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-35.9	177.4	-53.3	175.8	0	0	0	111.7	T19 D20 P21 T25 F66 R93 Q99 Y101 E115	T19-L23 HydrophobicContact CG2-CB 4.44Å; T19-L23 HydrophobicContact CG2-CD1 4.36Å; D20-L23 HydrophobicContact CB-CD1 3.95Å; D20-L23 HydrophobicContact CB-CG 3.98Å; D20-L23 WeakPolarHBondContact O-CB 3.36Å; D20-L23 PolarHBondContact O-N 2.96Å; P21-L23 PolarHBondContact O-N 3.49Å; L23-T25 PolarHBondContact O-N 3.15Å; L23-F66 HydrophobicContact CD2-CE1 4.13Å; L23-R93 PolarHBondContact O-NH1 2.9Å; L23-Q99 HydrophobicContact CB-CB 3.8Å; L23-Q99 HydrophobicContact CB-CG 4.07Å; L23-Q99 PolarHBondContact O-OE1 2.65Å; L23-Y101 HydrophobicContact CD2-CD2 3.4Å; L23-Y101 VanDerWaalsContact CD2-CD2 3.4Å; L23-Y101 HydrophobicContact CD2-CE2 3.9Å; L23-Y101 HydrophobicContact CD2-CG 4.3Å; L23-E115 HydrophobicContact CD1-CB 3.79Å
24	L	85.4	Confident	80.8	Confident	45 Å²	45	74.6 Å²	74.6	24%	0.236	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-12	179.7	-64.9	169.7	0	0	0	113.1	T19 P21 R93 Q99	T19-L24 HydrophobicContact CG2-CD1 4.26Å; T19-L24 HydrophobicContact CG2-CD2 4.13Å; T19-L24 HydrophobicContact CG2-CG 3.94Å; P21-L24 PolarHBondContact O-N 3.47Å; L24-R93 WeakPolarHBondContact O-CB 3.27Å; L24-R93 VanDerWaalsContact O-CD 3.3Å; L24-R93 WeakPolarHBondContact O-CD 3.41Å; L24-R93 WeakPolarHBondContact O-CG 3.2Å; L24-Q99 HydrophobicContact CD2-CG 4.07Å
25	T	85	Confident	83.4	Confident	108 Å²	108	72.2 Å²	72.2	66%	0.663	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	-10.4	-177.2	49	0	0	0	0	114.2	P21 F22 L23 N27	P21-T25 PolarHBondContact O-OG1 2.79Å; F22-T25 PolarHBondContact O-OG1 3.09Å; L23-T25 PolarHBondContact O-N 3.15Å; T25-N27 PolarHBondContact O-N 2.86Å
26	K	89.7	Confident	85.8	Confident	38 Å²	38	65.6 Å²	65.6	17%	0.165	34%	0.342	C	S	.	.			trans	-82.9	105.9	-172.1	-169.4	172.1	179.1	-164.6	0	112.8	F22 V28 R93 Y101 D102	F22-K26 HydrophobicContact CE1-CD 4.44Å; F22-K26 PolarHBondContact O-N 2.97Å; K26-V28 HydrophobicContact CG-CG2 4.32Å; K26-R93 PolarHBondContact O-NH1 3.2Å; K26-R93 PolarHBondContact O-NH2 2.95Å; K26-Y101 HydrophobicContact CD-CD2 3.68Å; K26-Y101 HydrophobicContact CD-CE2 3.8Å; K26-Y101 HydrophobicContact CD-CG 4.36Å; K26-Y101 WeakPolarHBondContact CD-O 3.5Å; K26-Y101 WeakPolarHBondContact CE-O 3.42Å; K26-Y101 PolarHBondContact NZ-O 2.81Å; K26-D102 WeakPolarHBondContact CE-OD1 3.43Å; K26-D102 IonicContact NZ-OD1 3.74Å; K26-D102 PolarHBondContact NZ-OD1 2.7Å; K26-D102 IonicContact NZ-OD2 2.71Å; K26-D102 PolarHBondContact NZ-OD2 2.68Å
27	N	92.9	Very high	88.1	Confident	117 Å²	117	66 Å²	66	63%	0.626	33%	0.332	S	S	*	.			trans	-73.3	134.8	166.5	-163.8	-51.5	0	0	0	109.9	T25 N90	T25-N27 PolarHBondContact O-N 2.86Å; N27-N90 WeakPolarHBondContact CA-OD1 3.39Å
28	V	95.9	Very high	90.1	Very high	3 Å²	3	64.7 Å²	64.7	2%	0.018	33%	0.331	C	S	.	.			trans	-120.8	119.8	-168.4	179	0	0	0	0	111.2	K26 N90 L100 Y101 A103	K26-V28 HydrophobicContact CG-CG2 4.32Å; V28-N90 PolarHBondContact N-OD1 3.14Å; V28-N90 PolarHBondContact O-ND2 2.86Å; V28-L100 HydrophobicContact CB-CD2 3.89Å; V28-L100 HydrophobicContact CB-CG 4.14Å; V28-L100 HydrophobicContact CG1-CD2 3.89Å; V28-L100 HydrophobicContact CG1-CG 4.06Å; V28-L100 HydrophobicContact CG2-CB 4.48Å; V28-L100 HydrophobicContact CG2-CD2 4.27Å; V28-L100 HydrophobicContact CG2-CG 4.02Å; V28-Y101 VanDerWaalsContact CG2-O 3.31Å; V28-Y101 WeakPolarHBondContact CG2-O 3.3Å; V28-A103 HydrophobicContact CG1-CB 3.83Å
29	T	95.9	Very high	91.3	Very high	89 Å²	89	68.5 Å²	68.5	55%	0.546	34%	0.343	S	S	.	.			trans	-101.4	145.2	172.2	53.6	0	0	0	0	111	Q31	T29-Q31 PolarHBondContact O-N 2.89Å; T29-Q31 PolarHBondContact OG1-NE2 3.25Å
30	L	97.2	Very high	92.3	Very high	28 Å²	28	68.2 Å²	68.2	15%	0.147	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	108.5	176.8	-177.9	64.6	0	0	0	111.2	R32 M79 L83 I86 A103 Q105 V110	L30-R32 HydrophobicContact CD2-CG 4.45Å; L30-R32 HydrophobicContact CG-CG 4.37Å; L30-R32 PolarHBondContact O-N 3.21Å; L30-R32 VanDerWaalsContact O-N 3.15Å; L30-M79 HydrophobicContact CD2-SD 4.28Å; L30-L83 HydrophobicContact CD2-CD2 3.86Å; L30-I86 HydrophobicContact CB-CD1 4.3Å; L30-I86 HydrophobicContact CD1-CD1 4.18Å; L30-A103 HydrophobicContact CD1-CB 3.87Å; L30-Q105 HydrophobicContact CD1-CB 4.12Å; L30-Q105 HydrophobicContact CD2-CB 4.36Å; L30-Q105 HydrophobicContact CG-CB 4.31Å; L30-V110 HydrophobicContact CD1-CG1 3.81Å
31	Q	97.4	Very high	93.1	Very high	84 Å²	84	70.5 Å²	70.5	39%	0.393	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	97.7	176.4	-55.1	-60.7	-7.1	0	0	109.9	T29 T34 A103 Y104 Q105	T29-Q31 PolarHBondContact O-N 2.89Å; T29-Q31 PolarHBondContact OG1-NE2 3.25Å; Q31-T34 HydrophobicContact CB-CG2 4.46Å; Q31-A103 PolarHBondContact N-O 3.45Å; Q31-Y104 HydrophobicContact CB-CD1 3.74Å; Q31-Y104 HydrophobicContact CB-CE1 4.04Å; Q31-Y104 HydrophobicContact CG-CD1 4.22Å; Q31-Y104 HydrophobicContact CG-CE1 4.06Å; Q31-Y104 CarbonylContact O-C 3.51Å; Q31-Y104 WeakPolarHBondContact O-CA 3.48Å; Q31-Q105 PolarHBondContact O-N 3.44Å
32	R	95.9	Very high	93.8	Very high	123 Å²	123	69.5 Å²	69.5	46%	0.464	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	158.7	-178	-60	-166.9	-171.2	-94.8	10.1	112.6	L30 T34 Q105	L30-R32 HydrophobicContact CD2-CG 4.45Å; L30-R32 HydrophobicContact CG-CG 4.37Å; L30-R32 PolarHBondContact O-N 3.21Å; L30-R32 VanDerWaalsContact O-N 3.15Å; R32-T34 PolarHBondContact O-N 3.33Å; R32-T34 VanDerWaalsContact O-N 3.09Å; R32-T34 PolarHBondContact O-OG1 3.03Å; R32-Q105 CarbonylContact C-O 3.52Å
33	N	95.7	Very high	94.3	Very high	144 Å²	144	67.1 Å²	67.1	77%	0.77	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	31.6	-179.7	-55.9	-18.6	0	0	0	113.9	Q105	N33-Q105 CarbonylContact C-O 3.58Å; N33-Q105 WeakPolarHBondContact CA-O 3.3Å; N33-Q105 PolarHBondContact N-O 3.45Å
34	T	96.2	Very high	94.5	Very high	35 Å²	35	71.8 Å²	71.8	22%	0.215	38%	0.377	C	S	.	.			trans	-131	118.2	-168.1	-61.7	0	0	0	0	110.2	Q31 R32 Y39 Y104 Q105	Q31-T34 HydrophobicContact CB-CG2 4.46Å; R32-T34 PolarHBondContact O-N 3.33Å; R32-T34 VanDerWaalsContact O-N 3.09Å; R32-T34 PolarHBondContact O-OG1 3.03Å; T34-Y39 HydrophobicContact CG2-CD2 4.44Å; T34-Y39 HydrophobicContact CG2-CE2 3.74Å; T34-Y104 HydrophobicContact CG2-CD1 3.62Å; T34-Y104 HydrophobicContact CG2-CE1 3.92Å; T34-Q105 PolarHBondContact N-O 3.25Å
35	D	94.5	Very high	94.8	Very high	34 Å²	34	74.3 Å²	74.3	18%	0.182	39%	0.385	C	S	.	.			trans	-75.7	126.5	175.6	-166	-31.5	0	0	0	110.9	R37 T38 I106	D35-R37 VanDerWaalsContact CG-NE 3.34Å; D35-R37 PolarHBondContact O-N 3.35Å; D35-R37 VanDerWaalsContact O-N 3.17Å; D35-R37 WeakPolarHBondContact OD1-CB 3.46Å; D35-R37 VanDerWaalsContact OD1-CG 3.28Å; D35-R37 WeakPolarHBondContact OD1-CG 3.36Å; D35-R37 IonicContact OD1-CZ 3.33Å; D35-R37 PolarHBondContact OD1-N 2.88Å; D35-R37 IonicContact OD1-NE 3.55Å; D35-R37 PolarHBondContact OD1-NE 3.05Å; D35-R37 IonicContact OD1-NH2 3.5Å; D35-R37 IonicContact OD2-CZ 3.92Å; D35-R37 IonicContact OD2-NE 3.06Å; D35-R37 PolarHBondContact OD2-NE 2.65Å; D35-R37 IonicContact OD2-NH2 3.92Å; D35-R37 PolarHBondContact OD2-NH2 3Å; D35-T38 WeakPolarHBondContact O-CB 3.46Å; D35-T38 PolarHBondContact O-N 3Å; D35-T38 PolarHBondContact O-OG1 2.92Å; D35-I106 HydrophobicContact CB-CD1 3.81Å
36	I	96.5	Very high	94.9	Very high	5 Å²	5	73.3 Å²	73.3	3%	0.026	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-54.4	-32.2	172.8	-173.3	175.8	0	0	0	112.4	T38 Y39 Y40 V42 A68 F70 Y104 T111 V113	I36-T38 PolarHBondContact O-N 3.41Å; I36-T38 VanDerWaalsContact O-N 3.07Å; I36-Y39 PolarHBondContact O-N 2.79Å; I36-Y40 HydrophobicContact CD1-CD2 4.15Å; I36-Y40 HydrophobicContact CD1-CG 4.31Å; I36-Y40 HydrophobicContact CG1-CD2 3.49Å; I36-Y40 VanDerWaalsContact CG1-CD2 3.49Å; I36-Y40 HydrophobicContact CG1-CE2 4.26Å; I36-Y40 HydrophobicContact CG1-CG 3.95Å; I36-Y40 PolarHBondContact O-N 2.98Å; I36-V42 HydrophobicContact CG2-CG2 4.23Å; I36-A68 HydrophobicContact CD1-CB 3.91Å; I36-F70 HydrophobicContact CG2-CE1 4.05Å; I36-F70 HydrophobicContact CG2-CZ 4.43Å; I36-Y104 HydrophobicContact CB-CD2 3.99Å; I36-Y104 HydrophobicContact CB-CG 4.21Å; I36-Y104 HydrophobicContact CD1-CD2 4.31Å; I36-Y104 HydrophobicContact CG1-CD2 3.9Å; I36-Y104 HydrophobicContact CG1-CE2 4.16Å; I36-T111 HydrophobicContact CD1-CG2 3.52Å; I36-T111 HydrophobicContact CG2-CG2 4.34Å; I36-V113 HydrophobicContact CD1-CG2 3.51Å; I36-V113 HydrophobicContact CG1-CG2 4.37Å
37	R	96.4	Very high	94.6	Very high	159 Å²	159	72.5 Å²	72.5	60%	0.6	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-63.7	-11.6	177.2	-61.7	174.4	-71.3	-161.7	-2.5	113.2	D35 Y40 V42 K60	D35-R37 VanDerWaalsContact CG-NE 3.34Å; D35-R37 PolarHBondContact O-N 3.35Å; D35-R37 VanDerWaalsContact O-N 3.17Å; D35-R37 WeakPolarHBondContact OD1-CB 3.46Å; D35-R37 VanDerWaalsContact OD1-CG 3.28Å; D35-R37 WeakPolarHBondContact OD1-CG 3.36Å; D35-R37 IonicContact OD1-CZ 3.33Å; D35-R37 PolarHBondContact OD1-N 2.88Å; D35-R37 IonicContact OD1-NE 3.55Å; D35-R37 PolarHBondContact OD1-NE 3.05Å; D35-R37 IonicContact OD1-NH2 3.5Å; D35-R37 IonicContact OD2-CZ 3.92Å; D35-R37 IonicContact OD2-NE 3.06Å; D35-R37 PolarHBondContact OD2-NE 2.65Å; D35-R37 IonicContact OD2-NH2 3.92Å; D35-R37 PolarHBondContact OD2-NH2 3Å; R37-Y40 WeakPolarHBondContact CA-O 3.39Å; R37-V42 HydrophobicContact CG-CG2 4.22Å; R37-K60 WeakPolarHBondContact O-CE 3.19Å; R37-K60 PolarHBondContact O-NZ 3.27Å
38	T	96.7	Very high	93.9	Very high	77 Å²	77	70.5 Å²	70.5	47%	0.472	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-62.5	-51.7	167.2	-50.3	0	0	0	0	110.3	D35 I36 K60	D35-T38 WeakPolarHBondContact O-CB 3.46Å; D35-T38 PolarHBondContact O-N 3Å; D35-T38 PolarHBondContact O-OG1 2.92Å; I36-T38 PolarHBondContact O-N 3.41Å; I36-T38 VanDerWaalsContact O-N 3.07Å; T38-K60 WeakPolarHBondContact O-CD 3.28Å; T38-K60 WeakPolarHBondContact O-CE 3.46Å; T38-K60 PolarHBondContact O-NZ 2.96Å
39	Y	97.3	Very high	92.6	Very high	122 Å²	122	72.9 Å²	72.9	48%	0.478	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-19.5	-171	-57	-75.6	0	0	0	114.2	T34 I36 K60 Y104	T34-Y39 HydrophobicContact CG2-CD2 4.44Å; T34-Y39 HydrophobicContact CG2-CE2 3.74Å; I36-Y39 PolarHBondContact O-N 2.79Å; Y39-K60 WeakPolarHBondContact O-CB 3.46Å; Y39-K60 WeakPolarHBondContact O-CG 3.42Å; Y39-K60 PolarHBondContact O-N 3.42Å; Y39-Y104 AromaticContact CD2-CE1 3.58Å; Y39-Y104 HydrophobicContact CD2-CE1 3.58Å; Y39-Y104 AromaticContact CD2-CZ 3.85Å; Y39-Y104 AromaticContact CE2-CE1 3.88Å; Y39-Y104 HydrophobicContact CE2-CE1 3.88Å
40	Y	98.1	Very high	91.2	Very high	4 Å²	4	76 Å²	76	2%	0.016	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	149.3	-175.2	-63.6	-102.4	0	0	0	113.1	I36 R37 C57 Q58 E59 K60 F66 Y101 D102 Y104 V113	I36-Y40 HydrophobicContact CD1-CD2 4.15Å; I36-Y40 HydrophobicContact CD1-CG 4.31Å; I36-Y40 HydrophobicContact CG1-CD2 3.49Å; I36-Y40 VanDerWaalsContact CG1-CD2 3.49Å; I36-Y40 HydrophobicContact CG1-CE2 4.26Å; I36-Y40 HydrophobicContact CG1-CG 3.95Å; I36-Y40 PolarHBondContact O-N 2.98Å; R37-Y40 WeakPolarHBondContact CA-O 3.39Å; Y40-C57 HydrophobicContact CD1-CB 4.3Å; Y40-Q58 CarbonylContact C-O 3.51Å; Y40-Q58 WeakPolarHBondContact CA-O 3.33Å; Y40-E59 HydrophobicContact CD1-CB 4.05Å; Y40-E59 HydrophobicContact CE1-CB 3.65Å; Y40-E59 HydrophobicContact CE1-CG 4.23Å; Y40-K60 WeakPolarHBondContact O-CE 3.42Å; Y40-F66 HydrophobicContact CD1-CD2 4.5Å; Y40-F66 AromaticContact CE1-CD2 3.77Å; Y40-F66 HydrophobicContact CE1-CD2 3.77Å; Y40-F66 HydrophobicContact CE1-CE2 4.22Å; Y40-F66 HydrophobicContact CE1-CG 4.5Å; Y40-Y101 VanDerWaalsContact OH-CD1 3.3Å; Y40-Y101 WeakPolarHBondContact OH-CD1 3.45Å; Y40-Y101 VanDerWaalsContact OH-CE1 3.28Å; Y40-Y101 WeakPolarHBondContact OH-CE1 3.49Å; Y40-D102 PolarHBondContact OH-OD2 2.91Å; Y40-Y104 HydrophobicContact CD2-CE2 4.31Å; Y40-Y104 AromaticContact CE2-CE2 3.71Å; Y40-Y104 HydrophobicContact CE2-CE2 3.71Å; Y40-V113 HydrophobicContact CE1-CG1 3.89Å; Y40-V113 HydrophobicContact CE2-CG2 4.37Å
41	N	97.9	Very high	90	Very high	85 Å²	85	76.1 Å²	76.1	46%	0.455	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	107.8	160.2	-61.2	-28.3	0	0	0	107.7	C57 Q58 K60	N41-C57 CarbonylContact O-C 3.57Å; N41-C57 WeakPolarHBondContact O-CA 3.24Å; N41-Q58 PolarHBondContact N-O 3.49Å; N41-Q58 PolarHBondContact O-N 3.36Å; N41-K60 VanDerWaalsContact OD1-CE 3.23Å; N41-K60 WeakPolarHBondContact OD1-CE 3.5Å
42	V	96.4	Very high	89.2	Confident	52 Å²	52	73 Å²	73	32%	0.315	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	131.5	175.1	-177.4	0	0	0	0	109.1	I36 R37 K55 C57 F70	I36-V42 HydrophobicContact CG2-CG2 4.23Å; R37-V42 HydrophobicContact CG-CG2 4.22Å; V42-K55 HydrophobicContact CG1-CB 4.09Å; V42-K55 HydrophobicContact CG1-CD 4.01Å; V42-C57 HydrophobicContact CG2-CB 4.32Å; V42-F70 HydrophobicContact CG1-CE2 4.24Å; V42-F70 HydrophobicContact CG1-CZ 3.81Å; V42-F70 HydrophobicContact CG2-CZ 4.16Å
43	G	93	Very high	89	Confident	46 Å²	46	69 Å²	69	47%	0.474	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	-132.8	-172.9	0	0	0	0	0	113.6	R56	G43-R56 WeakPolarHBondContact CA-O 3.47Å; G43-R56 PolarHBondContact N-O 2.98Å
44	V	90.9	Very high	88.9	Confident	110 Å²	110	64 Å²	64	67%	0.667	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	133.1	-165.9	-173.4	0	0	0	0	112.6	L46 K55 R56	V44-L46 PolarHBondContact O-N 3.35Å; V44-K55 WeakPolarHBondContact O-CA 3.45Å; V44-R56 PolarHBondContact O-N 3.25Å
45	Y	91.2	Very high	88.8	Confident	98 Å²	98	64.5 Å²	64.5	38%	0.384	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	130.1	170.9	171.4	-83.3	0	0	0	111.4	G47 S48 E53	Y45-G47 WeakPolarHBondContact CE2-O 3.49Å; Y45-G47 VanDerWaalsContact OH-C 3.25Å; Y45-S48 WeakPolarHBondContact OH-CB 3.45Å; Y45-S48 PolarHBondContact OH-N 2.99Å; Y45-S48 PolarHBondContact OH-OG 3.18Å; Y45-E53 HydrophobicContact CE2-CG 4.45Å
46	L	87.5	Confident	88.9	Confident	87 Å²	87	67.6 Å²	67.6	46%	0.455	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-36.1	179.3	-63.1	175.8	0	0	0	111.9	V44 V54 R56 A67 L116	V44-L46 PolarHBondContact O-N 3.35Å; L46-V54 HydrophobicContact CB-CG1 4.33Å; L46-V54 HydrophobicContact CD1-CG1 4.34Å; L46-V54 PolarHBondContact N-O 3.13Å; L46-R56 HydrophobicContact CD1-CB 4.05Å; L46-R56 HydrophobicContact CD2-CB 4.21Å; L46-R56 HydrophobicContact CG-CB 4.16Å; L46-A67 HydrophobicContact CD1-CB 4.1Å; L46-L116 HydrophobicContact CD1-CD1 3.7Å
47	G	82.5	Confident	89	Confident	21 Å²	21	67.5 Å²	67.5	22%	0.216	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.8	-178.2	-177.8	0	0	0	0	0	113.3	Y45 V54	Y45-G47 WeakPolarHBondContact CE2-O 3.49Å; Y45-G47 VanDerWaalsContact OH-C 3.25Å; G47-V54 PolarHBondContact N-O 2.86Å; G47-V54 PolarHBondContact O-N 3.44Å
48	S	78.2	Confident	89	Confident	74 Å²	74	63.5 Å²	63.5	52%	0.517	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	152.2	169.2	49	0	0	0	0	109.7	Y45 G52	Y45-S48 WeakPolarHBondContact OH-CB 3.45Å; Y45-S48 PolarHBondContact OH-N 2.99Å; Y45-S48 PolarHBondContact OH-OG 3.18Å; S48-G52 CarbonylContact C-O 3.49Å; S48-G52 VanDerWaalsContact CA-O 3.28Å; S48-G52 WeakPolarHBondContact CA-O 3.34Å; S48-G52 WeakPolarHBondContact CB-O 3.36Å
49	G	68.5	Low	89.1	Confident	54 Å²	54	61 Å²	61	56%	0.557	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.5	-166.2	-179.6	0	0	0	0	0	111.7	F51 G52	G49-F51 PolarHBondContact O-N 2.75Å; G49-G52 PolarHBondContact N-O 3.49Å; G49-G52 PolarHBondContact O-N 2.88Å
50	K	68.2	Low	89.1	Confident	154 Å²	154	60.3 Å²	60.3	67%	0.67	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-31.1	173	-176.1	-170.7	166.5	-151.3	0	111.7
51	F	71.5	Confident	89	Confident	30 Å²	30	69.1 Å²	69.1	13%	0.132	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	32.1	-173.4	-49.3	-70.8	0	0	0	113	G49 D181 L184	G49-F51 PolarHBondContact O-N 2.75Å; F51-D181 WeakPolarHBondContact CD2-OD2 3.09Å; F51-D181 WeakPolarHBondContact CE2-OD2 3.32Å; F51-L184 HydrophobicContact CZ-CD2 4.45Å; F51-L184 HydrophobicContact CZ-CG 4Å
52	G	80.9	Confident	88.8	Confident	19 Å²	19	68.2 Å²	68.2	20%	0.196	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	96.3	-156.6	173.1	0	0	0	0	0	115.9	S48 G49 F70	S48-G52 CarbonylContact C-O 3.49Å; S48-G52 VanDerWaalsContact CA-O 3.28Å; S48-G52 WeakPolarHBondContact CA-O 3.34Å; S48-G52 WeakPolarHBondContact CB-O 3.36Å; G49-G52 PolarHBondContact N-O 3.49Å; G49-G52 PolarHBondContact O-N 2.88Å; G52-F70 WeakPolarHBondContact CA-O 3.43Å
53	E	90.6	Very high	88.7	Confident	40 Å²	40	67.4 Å²	67.4	19%	0.187	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	147.4	-171.8	-65.4	-170.3	161.7	0	0	112.5	Y45 K55 K69 F70 T632	Y45-E53 HydrophobicContact CE2-CG 4.45Å; E53-K55 WeakPolarHBondContact OE2-CE 3.14Å; E53-K55 IonicContact OE2-NZ 3.56Å; E53-K55 PolarHBondContact OE2-NZ 2.91Å; E53-K69 CarbonylContact O-C 3.57Å; E53-K69 WeakPolarHBondContact O-CA 3.36Å; E53-F70 PolarHBondContact N-O 2.79Å; E53-F70 VanDerWaalsContact N-O 3.12Å; E53-F70 PolarHBondContact O-N 2.83Å; E53-T632 VanDerWaalsContact OE1-CG2 3.3Å; E53-T632 WeakPolarHBondContact OE1-CG2 3.34Å
54	V	93	Very high	88.7	Confident	39 Å²	39	69.6 Å²	69.6	24%	0.236	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.7	175.6	-172.3	0	0	0	0	109.8	L46 G47 A67 A68 K69	L46-V54 HydrophobicContact CB-CG1 4.33Å; L46-V54 HydrophobicContact CD1-CG1 4.34Å; L46-V54 PolarHBondContact N-O 3.13Å; G47-V54 PolarHBondContact N-O 2.86Å; G47-V54 PolarHBondContact O-N 3.44Å; V54-A67 HydrophobicContact CG1-CB 3.99Å; V54-A68 CarbonylContact C-O 3.47Å; V54-A68 VanDerWaalsContact CA-O 3.29Å; V54-A68 WeakPolarHBondContact CA-O 3.36Å; V54-K69 HydrophobicContact CG2-CB 4.28Å
55	K	95.9	Very high	88.9	Confident	45 Å²	45	68.4 Å²	68.4	20%	0.196	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	144.5	-179.4	-51.3	177.2	178	109.1	0	110.3	V42 V44 E53 A68 F70	V42-K55 HydrophobicContact CG1-CB 4.09Å; V42-K55 HydrophobicContact CG1-CD 4.01Å; V44-K55 WeakPolarHBondContact O-CA 3.45Å; E53-K55 WeakPolarHBondContact OE2-CE 3.14Å; E53-K55 IonicContact OE2-NZ 3.56Å; E53-K55 PolarHBondContact OE2-NZ 2.91Å; K55-A68 PolarHBondContact N-O 3.19Å; K55-A68 PolarHBondContact O-N 3.41Å; K55-F70 HydrophobicContact CB-CE2 3.95Å; K55-F70 HydrophobicContact CD-CD2 4.21Å; K55-F70 HydrophobicContact CD-CE2 3.82Å; K55-F70 HydrophobicContact CD-CZ 4.43Å; K55-F70 HydrophobicContact CG-CD2 4.23Å; K55-F70 HydrophobicContact CG-CE2 3.93Å
56	R	96.3	Very high	89.1	Confident	99 Å²	99	64.1 Å²	64.1	37%	0.374	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	136.7	170.9	-172.3	175.1	-178.5	156	-1.6	108.6	G43 V44 L46 E65 L116	G43-R56 WeakPolarHBondContact CA-O 3.47Å; G43-R56 PolarHBondContact N-O 2.98Å; V44-R56 PolarHBondContact O-N 3.25Å; L46-R56 HydrophobicContact CD1-CB 4.05Å; L46-R56 HydrophobicContact CD2-CB 4.21Å; L46-R56 HydrophobicContact CG-CB 4.16Å; R56-E65 IonicContact CZ-OE1 3.78Å; R56-E65 IonicContact CZ-OE2 2.92Å; R56-E65 IonicContact NE-OE1 3.23Å; R56-E65 PolarHBondContact NE-OE1 2.92Å; R56-E65 IonicContact NE-OE2 2.75Å; R56-E65 IonicContact NH2-OE1 2.68Å; R56-E65 PolarHBondContact NH2-OE1 2.86Å; R56-E65 IonicContact NH2-OE2 3.68Å; R56-E65 PolarHBondContact NH2-OE2 2.92Å; R56-L116 HydrophobicContact CG-CD2 4.09Å
57	C	97.3	Very high	89.5	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.02	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	159.5	173.6	65.4	0	0	0	0	111.2	Y40 N41 V42 E65 F66 A68	Y40-C57 HydrophobicContact CD1-CB 4.3Å; N41-C57 CarbonylContact O-C 3.57Å; N41-C57 WeakPolarHBondContact O-CA 3.24Å; V42-C57 HydrophobicContact CG2-CB 4.32Å; C57-E65 WeakPolarHBondContact O-CA 3.4Å; C57-F66 PolarHBondContact N-O 2.89Å; C57-F66 PolarHBondContact O-N 2.85Å; C57-A68 HydrophobicContact CB-CB 4.34Å
58	Q	97.7	Very high	90.2	Very high	74 Å²	74	59.4 Å²	59.4	35%	0.346	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.7	-179.8	-173.2	-178.5	40.8	0	0	110.2	Y40 N41 K60 G63 R64 E65	Y40-Q58 CarbonylContact C-O 3.51Å; Y40-Q58 WeakPolarHBondContact CA-O 3.33Å; N41-Q58 PolarHBondContact N-O 3.49Å; N41-Q58 PolarHBondContact O-N 3.36Å; Q58-K60 PolarHBondContact O-N 2.75Å; Q58-G63 WeakPolarHBondContact CG-O 3.44Å; Q58-G63 PolarHBondContact NE2-O 3.46Å; Q58-R64 CarbonylContact C-O 3.33Å; Q58-R64 VanDerWaalsContact CA-O 3.29Å; Q58-R64 WeakPolarHBondContact CA-O 3.46Å; Q58-R64 WeakPolarHBondContact CG-O 2.94Å; Q58-E65 HydrophobicContact CG-CG 4.33Å
59	E	97.3	Very high	91	Very high	24 Å²	24	56.5 Å²	56.5	11%	0.112	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	119	176.8	-176.3	-170	175	0	0	109.7	Y40 K61 T62 G63 R64 F66 Y101	Y40-E59 HydrophobicContact CD1-CB 4.05Å; Y40-E59 HydrophobicContact CE1-CB 3.65Å; Y40-E59 HydrophobicContact CE1-CG 4.23Å; E59-K61 HydrophobicContact CG-CB 4.38Å; E59-K61 PolarHBondContact O-N 2.99Å; E59-T62 WeakPolarHBondContact CB-OG1 3.49Å; E59-T62 PolarHBondContact O-N 3.21Å; E59-T62 WeakPolarHBondContact OE1-CG2 3.35Å; E59-T62 WeakPolarHBondContact OE2-CG2 3.34Å; E59-T62 PolarHBondContact OE2-OG1 3.22Å; E59-G63 WeakPolarHBondContact O-CA 3.32Å; E59-G63 PolarHBondContact O-N 2.82Å; E59-R64 PolarHBondContact N-O 3.44Å; E59-F66 HydrophobicContact CB-CD2 4.4Å; E59-F66 HydrophobicContact CB-CE2 3.95Å; E59-Y101 PolarHBondContact OE2-OH 2.87Å
60	K	97.6	Very high	92.3	Very high	108 Å²	108	54.7 Å²	54.7	47%	0.47	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-32	-175.3	-66.4	175.9	-170.9	174.1	0	113.2	R37 T38 Y39 Y40 N41 Q58	R37-K60 WeakPolarHBondContact O-CE 3.19Å; R37-K60 PolarHBondContact O-NZ 3.27Å; T38-K60 WeakPolarHBondContact O-CD 3.28Å; T38-K60 WeakPolarHBondContact O-CE 3.46Å; T38-K60 PolarHBondContact O-NZ 2.96Å; Y39-K60 WeakPolarHBondContact O-CB 3.46Å; Y39-K60 WeakPolarHBondContact O-CG 3.42Å; Y39-K60 PolarHBondContact O-N 3.42Å; Y40-K60 WeakPolarHBondContact O-CE 3.42Å; N41-K60 VanDerWaalsContact OD1-CE 3.23Å; N41-K60 WeakPolarHBondContact OD1-CE 3.5Å; Q58-K60 PolarHBondContact O-N 2.75Å
61	K	95.7	Very high	93.5	Very high	189 Å²	189	47.8 Å²	47.8	82%	0.822	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-29.9	-177	-175.2	177.8	179	-178.8	0	113.4	E59	E59-K61 HydrophobicContact CG-CB 4.38Å; E59-K61 PolarHBondContact O-N 2.99Å
62	T	93.9	Very high	94.5	Very high	66 Å²	66	50.3 Å²	50.3	41%	0.405	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-15.3	-167.8	64.8	0	0	0	0	114	E59 R64	E59-T62 WeakPolarHBondContact CB-OG1 3.49Å; E59-T62 PolarHBondContact O-N 3.21Å; E59-T62 WeakPolarHBondContact OE1-CG2 3.35Å; E59-T62 WeakPolarHBondContact OE2-CG2 3.34Å; E59-T62 PolarHBondContact OE2-OG1 3.22Å; T62-R64 PolarHBondContact O-N 2.95Å; T62-R64 VanDerWaalsContact OG1-CB 3.3Å; T62-R64 WeakPolarHBondContact OG1-CB 3.44Å; T62-R64 WeakPolarHBondContact OG1-CD 3.32Å; T62-R64 VanDerWaalsContact OG1-CG 3.25Å; T62-R64 WeakPolarHBondContact OG1-CG 3.18Å; T62-R64 PolarHBondContact OG1-N 3.49Å
63	G	94.1	Very high	95.2	Very high	36 Å²	36	50.3 Å²	50.3	37%	0.371	25%	0.248	S	C	.	.			trans	70.8	3.2	-170.7	0	0	0	0	0	114.5	Q58 E59	Q58-G63 WeakPolarHBondContact CG-O 3.44Å; Q58-G63 PolarHBondContact NE2-O 3.46Å; E59-G63 WeakPolarHBondContact O-CA 3.32Å; E59-G63 PolarHBondContact O-N 2.82Å
64	R	93.6	Very high	95.2	Very high	92 Å²	92	53 Å²	53	35%	0.347	28%	0.277	S	S	.	.			trans	-67.4	145.2	179	-69.1	167.7	172.1	-111.3	-5	111.1	D20 Q58 E59 T62 F66	D20-R64 IonicContact OD2-CZ 2.82Å; D20-R64 IonicContact OD2-NH1 3.39Å; D20-R64 PolarHBondContact OD2-NH1 3.47Å; D20-R64 IonicContact OD2-NH2 2.72Å; D20-R64 PolarHBondContact OD2-NH2 3Å; Q58-R64 CarbonylContact C-O 3.33Å; Q58-R64 VanDerWaalsContact CA-O 3.29Å; Q58-R64 WeakPolarHBondContact CA-O 3.46Å; Q58-R64 WeakPolarHBondContact CG-O 2.94Å; E59-R64 PolarHBondContact N-O 3.44Å; T62-R64 PolarHBondContact O-N 2.95Å; T62-R64 VanDerWaalsContact OG1-CB 3.3Å; T62-R64 WeakPolarHBondContact OG1-CB 3.44Å; T62-R64 WeakPolarHBondContact OG1-CD 3.32Å; T62-R64 VanDerWaalsContact OG1-CG 3.25Å; T62-R64 WeakPolarHBondContact OG1-CG 3.18Å; T62-R64 PolarHBondContact OG1-N 3.49Å; R64-F66 HydrophobicContact CB-CD2 4.38Å; R64-F66 HydrophobicContact CB-CE2 3.46Å; R64-F66 VanDerWaalsContact CB-CE2 3.46Å; R64-F66 HydrophobicContact CB-CZ 3.81Å
65	E	95.2	Very high	95.3	Very high	85 Å²	85	53 Å²	53	40%	0.397	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	140.1	-175.6	-58.8	-163.7	88.7	0	0	113	R56 C57 Q58 L116	R56-E65 IonicContact CZ-OE1 3.78Å; R56-E65 IonicContact CZ-OE2 2.92Å; R56-E65 IonicContact NE-OE1 3.23Å; R56-E65 PolarHBondContact NE-OE1 2.92Å; R56-E65 IonicContact NE-OE2 2.75Å; R56-E65 IonicContact NH2-OE1 2.68Å; R56-E65 PolarHBondContact NH2-OE1 2.86Å; R56-E65 IonicContact NH2-OE2 3.68Å; R56-E65 PolarHBondContact NH2-OE2 2.92Å; C57-E65 WeakPolarHBondContact O-CA 3.4Å; Q58-E65 HydrophobicContact CG-CG 4.33Å; E65-L116 HydrophobicContact CB-CD2 3.86Å
66	F	96.1	Very high	95.2	Very high	7 Å²	7	57.7 Å²	57.7	3%	0.031	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	169.2	-169.2	-62.6	-80.7	0	0	0	111.3	L23 Y40 C57 E59 R64 Y101 V113 L114	L23-F66 HydrophobicContact CD2-CE1 4.13Å; Y40-F66 HydrophobicContact CD1-CD2 4.5Å; Y40-F66 AromaticContact CE1-CD2 3.77Å; Y40-F66 HydrophobicContact CE1-CD2 3.77Å; Y40-F66 HydrophobicContact CE1-CE2 4.22Å; Y40-F66 HydrophobicContact CE1-CG 4.5Å; C57-F66 PolarHBondContact N-O 2.89Å; C57-F66 PolarHBondContact O-N 2.85Å; E59-F66 HydrophobicContact CB-CD2 4.4Å; E59-F66 HydrophobicContact CB-CE2 3.95Å; R64-F66 HydrophobicContact CB-CD2 4.38Å; R64-F66 HydrophobicContact CB-CE2 3.46Å; R64-F66 VanDerWaalsContact CB-CE2 3.46Å; R64-F66 HydrophobicContact CB-CZ 3.81Å; F66-Y101 HydrophobicContact CD1-CD1 4.04Å; F66-Y101 HydrophobicContact CD1-CG 4.02Å; F66-Y101 HydrophobicContact CD2-CD1 4.44Å; F66-Y101 AromaticContact CE1-CD1 3.52Å; F66-Y101 HydrophobicContact CE1-CD1 3.52Å; F66-Y101 AromaticContact CE1-CD2 3.7Å; F66-Y101 HydrophobicContact CE1-CD2 3.7Å; F66-Y101 AromaticContact CE1-CE1 3.85Å; F66-Y101 HydrophobicContact CE1-CE1 3.85Å; F66-Y101 HydrophobicContact CE1-CE2 4Å; F66-Y101 AromaticContact CE1-CG 3.4Å; F66-Y101 HydrophobicContact CE1-CG 3.4Å; F66-Y101 VanDerWaalsContact CE1-CG 3.4Å; F66-Y101 AromaticContact CE2-CD1 3.94Å; F66-Y101 HydrophobicContact CE2-CD1 3.94Å; F66-Y101 AromaticContact CE2-CE1 3.65Å; F66-Y101 HydrophobicContact CE2-CE1 3.65Å; F66-Y101 HydrophobicContact CG-CD1 4.48Å; F66-Y101 AromaticContact CZ-CD1 3.46Å; F66-Y101 HydrophobicContact CZ-CD1 3.46Å; F66-Y101 VanDerWaalsContact CZ-CD1 3.46Å; F66-Y101 AromaticContact CZ-CD2 3.94Å; F66-Y101 HydrophobicContact CZ-CD2 3.94Å; F66-Y101 AromaticContact CZ-CE1 3.27Å; F66-Y101 HydrophobicContact CZ-CE1 3.27Å; F66-Y101 AromaticContact CZ-CE2 3.77Å; F66-Y101 HydrophobicContact CZ-CE2 3.77Å; F66-Y101 AromaticContact CZ-CG 3.77Å; F66-Y101 HydrophobicContact CZ-CG 3.77Å; F66-Y101 AromaticContact CZ-CZ 3.4Å; F66-Y101 VanDerWaalsContact CZ-CZ 3.4Å; F66-V113 HydrophobicContact CB-CG1 3.55Å; F66-V113 HydrophobicContact CD1-CG1 4.14Å; F66-V113 HydrophobicContact CD2-CG1 4.36Å; F66-V113 HydrophobicContact CG-CG1 3.78Å; F66-L114 WeakPolarHBondContact CA-O 3.13Å; F66-L114 WeakPolarHBondContact CB-O 3.29Å
67	A	95.7	Very high	95	Very high	10 Å²	10	59.8 Å²	59.8	8%	0.083	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	117.5	170	0	0	0	0	0	109.8	L46 V54 L114 L116	L46-A67 HydrophobicContact CD1-CB 4.1Å; V54-A67 HydrophobicContact CG1-CB 3.99Å; A67-L114 PolarHBondContact N-O 2.93Å; A67-L114 WeakPolarHBondContact O-CB 3.33Å; A67-L114 PolarHBondContact O-N 3.35Å; A67-L116 HydrophobicContact CB-CD1 4.18Å
68	A	97	Very high	94.7	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	116.3	175.3	0	0	0	0	0	110.1	I36 V54 K55 C57 F70 T111 L112	I36-A68 HydrophobicContact CD1-CB 3.91Å; V54-A68 CarbonylContact C-O 3.47Å; V54-A68 VanDerWaalsContact CA-O 3.29Å; V54-A68 WeakPolarHBondContact CA-O 3.36Å; K55-A68 PolarHBondContact N-O 3.19Å; K55-A68 PolarHBondContact O-N 3.41Å; C57-A68 HydrophobicContact CB-CB 4.34Å; A68-F70 HydrophobicContact CB-CD2 4.27Å; A68-F70 HydrophobicContact CB-CE2 3.45Å; A68-F70 VanDerWaalsContact CB-CE2 3.45Å; A68-F70 HydrophobicContact CB-CZ 3.77Å; A68-F70 VanDerWaalsContact O-CD2 3.29Å; A68-F70 WeakPolarHBondContact O-CD2 3.38Å; A68-F70 WeakPolarHBondContact O-CE2 3.31Å; A68-T111 HydrophobicContact CB-CG2 3.74Å; A68-L112 CarbonylContact C-O 3.51Å; A68-L112 WeakPolarHBondContact CA-O 3.33Å
69	K	95.2	Very high	94.6	Very high	12 Å²	12	60 Å²	60	5%	0.052	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	108	173.7	169.6	178.2	165.8	-179.4	0	108.4	E53 V54 V71 E85 T111 L112 L114 D181	E53-K69 CarbonylContact O-C 3.57Å; E53-K69 WeakPolarHBondContact O-CA 3.36Å; V54-K69 HydrophobicContact CG2-CB 4.28Å; K69-V71 HydrophobicContact CG-CG2 4Å; K69-E85 IonicContact NZ-OE1 3.96Å; K69-E85 PolarHBondContact NZ-OE1 2.98Å; K69-E85 IonicContact NZ-OE2 2.75Å; K69-E85 PolarHBondContact NZ-OE2 3.32Å; K69-T111 CarbonylContact O-C 3.56Å; K69-T111 WeakPolarHBondContact O-CA 3.48Å; K69-L112 HydrophobicContact CB-CB 4.35Å; K69-L112 HydrophobicContact CD-CD1 4.4Å; K69-L112 PolarHBondContact N-O 3.28Å; K69-L112 PolarHBondContact O-N 2.92Å; K69-L114 HydrophobicContact CB-CD1 4.14Å; K69-L114 HydrophobicContact CD-CD1 4.33Å; K69-D181 IonicContact NZ-OD1 2.79Å; K69-D181 PolarHBondContact NZ-OD1 3.27Å; K69-D181 VanDerWaalsContact NZ-OD1 3.12Å
70	F	95.3	Very high	94.4	Very high	16 Å²	16	62.7 Å²	62.7	7%	0.07	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	111.9	-178.6	-62.8	-96.9	0	0	0	109.4	I36 V42 G52 E53 K55 A68 T111	I36-F70 HydrophobicContact CG2-CE1 4.05Å; I36-F70 HydrophobicContact CG2-CZ 4.43Å; V42-F70 HydrophobicContact CG1-CE2 4.24Å; V42-F70 HydrophobicContact CG1-CZ 3.81Å; V42-F70 HydrophobicContact CG2-CZ 4.16Å; G52-F70 WeakPolarHBondContact CA-O 3.43Å; E53-F70 PolarHBondContact N-O 2.79Å; E53-F70 VanDerWaalsContact N-O 3.12Å; E53-F70 PolarHBondContact O-N 2.83Å; K55-F70 HydrophobicContact CB-CE2 3.95Å; K55-F70 HydrophobicContact CD-CD2 4.21Å; K55-F70 HydrophobicContact CD-CE2 3.82Å; K55-F70 HydrophobicContact CD-CZ 4.43Å; K55-F70 HydrophobicContact CG-CD2 4.23Å; K55-F70 HydrophobicContact CG-CE2 3.93Å; A68-F70 HydrophobicContact CB-CD2 4.27Å; A68-F70 HydrophobicContact CB-CE2 3.45Å; A68-F70 VanDerWaalsContact CB-CE2 3.45Å; A68-F70 HydrophobicContact CB-CZ 3.77Å; A68-F70 VanDerWaalsContact O-CD2 3.29Å; A68-F70 WeakPolarHBondContact O-CD2 3.38Å; A68-F70 WeakPolarHBondContact O-CE2 3.31Å; F70-T111 HydrophobicContact CD1-CG2 3.85Å; F70-T111 VanDerWaalsContact CD1-OG1 3.27Å; F70-T111 WeakPolarHBondContact CD1-OG1 3.38Å; F70-T111 HydrophobicContact CD2-CG2 4.38Å; F70-T111 HydrophobicContact CE1-CG2 3.71Å; F70-T111 WeakPolarHBondContact CE1-OG1 3.48Å; F70-T111 HydrophobicContact CE2-CG2 4.24Å; F70-T111 HydrophobicContact CG-CG2 4.18Å; F70-T111 HydrophobicContact CZ-CG2 3.91Å
71	V	93.9	Very high	94.2	Very high	10 Å²	10	59.9 Å²	59.9	6%	0.061	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	115.2	-174.9	-164.5	0	0	0	0	109.4	K69 I73 V82 V110	K69-V71 HydrophobicContact CG-CG2 4Å; V71-I73 HydrophobicContact CG1-CD1 4.43Å; V71-V82 HydrophobicContact CB-CG2 4.23Å; V71-V82 HydrophobicContact CG1-CG2 3.77Å; V71-V82 HydrophobicContact CG2-CG2 4.45Å; V71-V110 PolarHBondContact N-O 3.1Å; V71-V110 PolarHBondContact O-N 3.5Å
72	P	93.4	Very high	94.1	Very high	83 Å²	83	51.1 Å²	51.1	54%	0.539	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	140.1	172.8	30.6	-33.8	0	0	0	110.6
73	I	94.2	Very high	94.2	Very high	18 Å²	18	50.6 Å²	50.6	9%	0.092	29%	0.285	C	S	.	.			trans	-115.8	103.4	-177.4	-53.8	-59.2	0	0	0	108	V71 S75 D78 M79 V82 E108 V110	V71-I73 HydrophobicContact CG1-CD1 4.43Å; I73-S75 WeakPolarHBondContact CG2-O 3.3Å; I73-D78 HydrophobicContact CD1-CB 4.13Å; I73-D78 HydrophobicContact CG2-CB 4.16Å; I73-M79 HydrophobicContact CD1-CE 4.4Å; I73-M79 HydrophobicContact CG1-CE 4.03Å; I73-M79 HydrophobicContact CG2-CB 3.95Å; I73-M79 HydrophobicContact CG2-CE 3.99Å; I73-V82 HydrophobicContact CD1-CG2 3.98Å; I73-E108 PolarHBondContact N-O 2.96Å; I73-V110 HydrophobicContact CD1-CB 4.38Å; I73-V110 HydrophobicContact CD1-CG2 4.04Å; I73-V110 HydrophobicContact CG1-CB 4.42Å; I73-V110 HydrophobicContact CG1-CG2 3.85Å
74	A	91.9	Very high	94.3	Very high	96 Å²	96	51.2 Å²	51.2	79%	0.793	28%	0.279	S	S	*	.			trans	-100.9	-8.8	179.3	0	0	0	0	0	113.1	D78	A74-D78 WeakPolarHBondContact CA-OD2 3.37Å; A74-D78 PolarHBondContact N-OD2 3.37Å
75	S	93.6	Very high	94.4	Very high	41 Å²	41	47 Å²	47	29%	0.287	26%	0.264	S	S	.	.	S	Bend	trans	-151.4	166.9	-172.4	63.8	0	0	0	0	112	I73 E77 D78 M79	I73-S75 WeakPolarHBondContact CG2-O 3.3Å; S75-E77 VanDerWaalsContact C-N 3.26Å; S75-E77 WeakPolarHBondContact CB-OE2 3.21Å; S75-D78 PolarHBondContact N-OD2 2.92Å; S75-D78 PolarHBondContact O-N 2.96Å; S75-D78 PolarHBondContact OG-N 2.75Å; S75-D78 PolarHBondContact OG-OD2 2.78Å; S75-M79 PolarHBondContact O-N 2.67Å
76	E	93.7	Very high	94.4	Very high	143 Å²	143	43.5 Å²	43.5	67%	0.668	25%	0.247	S	C	*	.	H	α-helix	trans	-68.5	-32.1	172.3	-158.9	-170.6	136.2	0	0	110.7	D78 M79 N80	E76-D78 PolarHBondContact O-N 2.79Å; E76-M79 WeakPolarHBondContact O-CB 3.38Å; E76-M79 PolarHBondContact O-N 3.06Å; E76-N80 WeakPolarHBondContact O-CB 3.37Å; E76-N80 VanDerWaalsContact O-CG 3.31Å; E76-N80 PolarHBondContact O-N 3.17Å; E76-N80 PolarHBondContact O-ND2 3.42Å; E76-N80 PolarHBondContact OE1-ND2 3.2Å
77	E	91.7	Very high	94.5	Very high	142 Å²	142	45.3 Å²	45.3	66%	0.664	26%	0.264	S	S	*	.	H	α-helix	trans	-62.1	-39	174	-64.5	89.6	155.6	0	0	112.5	S75 S81	S75-E77 VanDerWaalsContact C-N 3.26Å; S75-E77 WeakPolarHBondContact CB-OE2 3.21Å; E77-S81 WeakPolarHBondContact O-CB 3.14Å; E77-S81 PolarHBondContact O-N 2.92Å
78	D	91.9	Very high	94.6	Very high	60 Å²	60	44.8 Å²	44.8	32%	0.321	26%	0.26	S	S	.	.	H	α-helix	trans	-63.9	-46.2	173.1	-62.6	-50.3	0	0	0	111	I73 A74 S75 E76 S81 V82	I73-D78 HydrophobicContact CD1-CB 4.13Å; I73-D78 HydrophobicContact CG2-CB 4.16Å; A74-D78 WeakPolarHBondContact CA-OD2 3.37Å; A74-D78 PolarHBondContact N-OD2 3.37Å; S75-D78 PolarHBondContact N-OD2 2.92Å; S75-D78 PolarHBondContact O-N 2.96Å; S75-D78 PolarHBondContact OG-N 2.75Å; S75-D78 PolarHBondContact OG-OD2 2.78Å; E76-D78 PolarHBondContact O-N 2.79Å; D78-S81 WeakPolarHBondContact O-CB 3.49Å; D78-S81 PolarHBondContact O-N 3.42Å; D78-V82 WeakPolarHBondContact O-CG2 3.34Å; D78-V82 PolarHBondContact O-N 3.48Å
79	M	95	Very high	94.6	Very high	22 Å²	22	45 Å²	45	11%	0.108	26%	0.26	C	S	.	.	H	α-helix	trans	-59.9	-47.2	176.7	175.6	57.9	50.5	0	0	111.1	L30 I73 S75 E76 S81 V82 L83 Q105 V110	L30-M79 HydrophobicContact CD2-SD 4.28Å; I73-M79 HydrophobicContact CD1-CE 4.4Å; I73-M79 HydrophobicContact CG1-CE 4.03Å; I73-M79 HydrophobicContact CG2-CB 3.95Å; I73-M79 HydrophobicContact CG2-CE 3.99Å; S75-M79 PolarHBondContact O-N 2.67Å; E76-M79 WeakPolarHBondContact O-CB 3.38Å; E76-M79 PolarHBondContact O-N 3.06Å; M79-S81 VanDerWaalsContact C-N 3.33Å; M79-S81 PolarHBondContact O-N 2.95Å; M79-V82 PolarHBondContact O-N 2.83Å; M79-L83 HydrophobicContact CG-CD1 3.94Å; M79-L83 HydrophobicContact CG-CG 4.42Å; M79-L83 WeakPolarHBondContact O-CB 3.46Å; M79-L83 VanDerWaalsContact O-CG 3.3Å; M79-L83 WeakPolarHBondContact O-CG 3.27Å; M79-L83 PolarHBondContact O-N 3.08Å; M79-L83 HydrophobicContact SD-CD1 3.97Å; M79-L83 HydrophobicContact SD-CD2 4.44Å; M79-L83 HydrophobicContact SD-CG 3.98Å; M79-Q105 HydrophobicContact CE-CG 4.5Å; M79-V110 HydrophobicContact CE-CG2 3.74Å
80	N	94.7	Very high	94.6	Very high	80 Å²	80	45.5 Å²	45.5	43%	0.428	26%	0.264	S	S	.	.	H	α-helix	trans	-64.3	-35.9	177.6	-74.1	-33.8	0	0	0	112	E76 N84	E76-N80 WeakPolarHBondContact O-CB 3.37Å; E76-N80 VanDerWaalsContact O-CG 3.31Å; E76-N80 PolarHBondContact O-N 3.17Å; E76-N80 PolarHBondContact O-ND2 3.42Å; E76-N80 PolarHBondContact OE1-ND2 3.2Å; N80-N84 WeakPolarHBondContact O-CB 3.43Å; N80-N84 PolarHBondContact O-N 3.1Å
81	S	92.1	Very high	94.7	Very high	49 Å²	49	47 Å²	47	34%	0.343	27%	0.274	S	S	.	.	H	α-helix	trans	-63.3	-40.9	173.3	-167.2	0	0	0	0	112.3	E77 D78 M79 E85	E77-S81 WeakPolarHBondContact O-CB 3.14Å; E77-S81 PolarHBondContact O-N 2.92Å; D78-S81 WeakPolarHBondContact O-CB 3.49Å; D78-S81 PolarHBondContact O-N 3.42Å; M79-S81 VanDerWaalsContact C-N 3.33Å; M79-S81 PolarHBondContact O-N 2.95Å; S81-E85 PolarHBondContact O-N 3.34Å
82	V	94.1	Very high	94.8	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.03	27%	0.272	C	S	.	.	H	α-helix	trans	-76.3	-36.1	179	178.1	0	0	0	0	112	V71 I73 D78 M79 N84 E85 I86 V110 L112	V71-V82 HydrophobicContact CB-CG2 4.23Å; V71-V82 HydrophobicContact CG1-CG2 3.77Å; V71-V82 HydrophobicContact CG2-CG2 4.45Å; I73-V82 HydrophobicContact CD1-CG2 3.98Å; D78-V82 WeakPolarHBondContact O-CG2 3.34Å; D78-V82 PolarHBondContact O-N 3.48Å; M79-V82 PolarHBondContact O-N 2.83Å; V82-N84 VanDerWaalsContact C-N 3.31Å; V82-N84 PolarHBondContact O-N 3.31Å; V82-E85 PolarHBondContact O-N 2.79Å; V82-I86 HydrophobicContact CG1-CD1 4.23Å; V82-I86 WeakPolarHBondContact O-CG1 3.37Å; V82-I86 PolarHBondContact O-N 2.92Å; V82-V110 HydrophobicContact CG1-CB 4.12Å; V82-V110 HydrophobicContact CG1-CG1 3.6Å; V82-L112 HydrophobicContact CG1-CD1 4.45Å; V82-L112 HydrophobicContact CG1-CD2 4.12Å
83	L	96.4	Very high	94.8	Very high	56 Å²	56	45 Å²	45	29%	0.293	26%	0.255	S	S	.	.	H	α-helix	trans	-62.7	-39	171.4	-70.5	172.4	0	0	0	111.5	L30 M79 I86 A87	L30-L83 HydrophobicContact CD2-CD2 3.86Å; M79-L83 HydrophobicContact CG-CD1 3.94Å; M79-L83 HydrophobicContact CG-CG 4.42Å; M79-L83 WeakPolarHBondContact O-CB 3.46Å; M79-L83 VanDerWaalsContact O-CG 3.3Å; M79-L83 WeakPolarHBondContact O-CG 3.27Å; M79-L83 PolarHBondContact O-N 3.08Å; M79-L83 HydrophobicContact SD-CD1 3.97Å; M79-L83 HydrophobicContact SD-CD2 4.44Å; M79-L83 HydrophobicContact SD-CG 3.98Å; L83-I86 PolarHBondContact O-N 3.06Å; L83-A87 WeakPolarHBondContact O-CB 3.47Å; L83-A87 PolarHBondContact O-N 2.83Å
84	N	95.1	Very high	94.8	Very high	49 Å²	49	45.7 Å²	45.7	26%	0.262	26%	0.258	S	S	.	.	H	α-helix	trans	-64.2	-42.9	170.5	168.1	88.9	0	0	0	112.1	N80 V82 I86 A87 V88 A185	N80-N84 WeakPolarHBondContact O-CB 3.43Å; N80-N84 PolarHBondContact O-N 3.1Å; V82-N84 VanDerWaalsContact C-N 3.31Å; V82-N84 PolarHBondContact O-N 3.31Å; N84-I86 PolarHBondContact O-N 3.48Å; N84-A87 PolarHBondContact O-N 2.79Å; N84-V88 WeakPolarHBondContact O-CB 3.27Å; N84-V88 WeakPolarHBondContact O-CG2 3.46Å; N84-V88 PolarHBondContact O-N 3.05Å; N84-A185 PolarHBondContact ND2-O 2.96Å
85	E	95.4	Very high	95	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.019	23%	0.234	C	C	.	.	H	α-helix	trans	-58.6	-46.1	175.1	-173.2	172.7	176.3	0	0	110.9	K69 S81 V82 V88 M89 L112 F182 G183	K69-E85 IonicContact NZ-OE1 3.96Å; K69-E85 PolarHBondContact NZ-OE1 2.98Å; K69-E85 IonicContact NZ-OE2 2.75Å; K69-E85 PolarHBondContact NZ-OE2 3.32Å; S81-E85 PolarHBondContact O-N 3.34Å; V82-E85 PolarHBondContact O-N 2.79Å; E85-V88 PolarHBondContact O-N 3.04Å; E85-M89 HydrophobicContact CG-CG 4.43Å; E85-M89 HydrophobicContact CG-SD 3.85Å; E85-M89 WeakPolarHBondContact O-CB 3.23Å; E85-M89 WeakPolarHBondContact O-CG 3.49Å; E85-M89 PolarHBondContact O-N 3.16Å; E85-L112 HydrophobicContact CG-CD1 4.29Å; E85-F182 HydrophobicContact CG-CB 4.15Å; E85-G183 WeakPolarHBondContact OE2-CA 3.29Å
86	I	97	Very high	95.1	Very high	10 Å²	10	41.7 Å²	41.7	5%	0.051	22%	0.222	C	C	.	.	H	α-helix	trans	-61	-45.6	174.8	-66.5	165.4	0	0	0	111.6	L30 V82 L83 N84 M89 N90 L100 A103 L112	L30-I86 HydrophobicContact CB-CD1 4.3Å; L30-I86 HydrophobicContact CD1-CD1 4.18Å; V82-I86 HydrophobicContact CG1-CD1 4.23Å; V82-I86 WeakPolarHBondContact O-CG1 3.37Å; V82-I86 PolarHBondContact O-N 2.92Å; L83-I86 PolarHBondContact O-N 3.06Å; N84-I86 PolarHBondContact O-N 3.48Å; I86-M89 PolarHBondContact O-N 2.82Å; I86-N90 WeakPolarHBondContact O-CB 3.38Å; I86-N90 PolarHBondContact O-N 2.86Å; I86-N90 PolarHBondContact O-ND2 2.79Å; I86-N90 VanDerWaalsContact O-ND2 3.13Å; I86-L100 HydrophobicContact CB-CD2 4.3Å; I86-L100 HydrophobicContact CG1-CD2 4.17Å; I86-L100 HydrophobicContact CG2-CD2 4.06Å; I86-A103 HydrophobicContact CD1-CB 3.81Å; I86-A103 HydrophobicContact CG1-CB 4.33Å; I86-L112 HydrophobicContact CD1-CD2 3.77Å; I86-L112 HydrophobicContact CG1-CD2 3.63Å
87	A	97.2	Very high	95.3	Very high	45 Å²	45	34.9 Å²	34.9	37%	0.372	19%	0.19	S	C	.	.	H	α-helix	trans	-63.6	-44.5	-179.3	0	0	0	0	0	112.2	L83 N84 N90 F187	L83-A87 WeakPolarHBondContact O-CB 3.47Å; L83-A87 PolarHBondContact O-N 2.83Å; N84-A87 PolarHBondContact O-N 2.79Å; A87-N90 PolarHBondContact O-N 2.85Å; A87-F187 HydrophobicContact CB-CE2 4.28Å
88	V	97	Very high	95.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.7	-53.9	175	168	0	0	0	0	110.4	N84 E85 N90 T91 L92 V157 F182 A185 F187	N84-V88 WeakPolarHBondContact O-CB 3.27Å; N84-V88 WeakPolarHBondContact O-CG2 3.46Å; N84-V88 PolarHBondContact O-N 3.05Å; E85-V88 PolarHBondContact O-N 3.04Å; V88-N90 PolarHBondContact O-N 2.94Å; V88-N90 VanDerWaalsContact O-N 3.16Å; V88-T91 PolarHBondContact O-N 3.31Å; V88-T91 PolarHBondContact O-OG1 2.76Å; V88-L92 HydrophobicContact CG1-CD1 3.69Å; V88-L92 HydrophobicContact CG1-CG 4.35Å; V88-L92 WeakPolarHBondContact O-CG 3.43Å; V88-L92 PolarHBondContact O-N 3.45Å; V88-V157 HydrophobicContact CG1-CG1 3.67Å; V88-V157 HydrophobicContact CG1-CG2 4.19Å; V88-F182 HydrophobicContact CG1-CD1 4.27Å; V88-A185 HydrophobicContact CG1-CB 4.14Å; V88-F187 HydrophobicContact CG2-CD2 4.14Å; V88-F187 HydrophobicContact CG2-CE2 3.8Å; V88-F187 HydrophobicContact CG2-CZ 4.08Å
89	M	96.9	Very high	95.7	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.015	15%	0.146	C	C	.	.	H	α-helix	trans	-61.9	-27.4	-178	-67	-178.1	82.7	0	0	112.9	E85 I86 T91 L92 I98 L100 L114 F182	E85-M89 HydrophobicContact CG-CG 4.43Å; E85-M89 HydrophobicContact CG-SD 3.85Å; E85-M89 WeakPolarHBondContact O-CB 3.23Å; E85-M89 WeakPolarHBondContact O-CG 3.49Å; E85-M89 PolarHBondContact O-N 3.16Å; I86-M89 PolarHBondContact O-N 2.82Å; M89-T91 PolarHBondContact O-N 2.74Å; M89-L92 PolarHBondContact O-N 2.92Å; M89-I98 HydrophobicContact CE-CG2 3.47Å; M89-I98 VanDerWaalsContact CE-CG2 3.47Å; M89-I98 WeakPolarHBondContact CE-O 3.44Å; M89-L100 HydrophobicContact CB-CB 4.05Å; M89-L100 HydrophobicContact CB-CD2 4.25Å; M89-L100 HydrophobicContact CE-CB 4.13Å; M89-L100 HydrophobicContact SD-CB 4.44Å; M89-L114 HydrophobicContact CE-CD2 3.62Å; M89-L114 HydrophobicContact SD-CD2 4.39Å; M89-F182 HydrophobicContact CE-CD2 4.11Å; M89-F182 HydrophobicContact CG-CB 3.96Å; M89-F182 HydrophobicContact CG-CD2 4.15Å; M89-F182 HydrophobicContact CG-CG 4.11Å; M89-F182 HydrophobicContact SD-CB 4.26Å; M89-F182 HydrophobicContact SD-CD2 4.37Å
90	N	96.6	Very high	95.8	Very high	24 Å²	24	24.9 Å²	24.9	13%	0.128	14%	0.141	C	C	.	.	H	α-helix	trans	-65.6	-22.2	174.3	-93.1	-45.7	0	0	0	114.6	N27 V28 I86 A87 V88 R93	N27-N90 WeakPolarHBondContact CA-OD1 3.39Å; V28-N90 PolarHBondContact N-OD1 3.14Å; V28-N90 PolarHBondContact O-ND2 2.86Å; I86-N90 WeakPolarHBondContact O-CB 3.38Å; I86-N90 PolarHBondContact O-N 2.86Å; I86-N90 PolarHBondContact O-ND2 2.79Å; I86-N90 VanDerWaalsContact O-ND2 3.13Å; A87-N90 PolarHBondContact O-N 2.85Å; V88-N90 PolarHBondContact O-N 2.94Å; V88-N90 VanDerWaalsContact O-N 3.16Å; N90-R93 VanDerWaalsContact O-CZ 3.29Å; N90-R93 PolarHBondContact O-NE 2.71Å; N90-R93 PolarHBondContact O-NH2 2.79Å; N90-R93 PolarHBondContact OD1-NH2 2.9Å
91	T	95.9	Very high	95.8	Very high	47 Å²	47	21.3 Å²	21.3	29%	0.288	12%	0.122	S	C	.	.	H	α-helix	trans	-91	-19.9	174.6	66.1	0	0	0	0	113.3	V88 M89 R93 Y151 F187	V88-T91 PolarHBondContact O-N 3.31Å; V88-T91 PolarHBondContact O-OG1 2.76Å; M89-T91 PolarHBondContact O-N 2.74Å; T91-R93 PolarHBondContact O-N 3.13Å; T91-Y151 PolarHBondContact O-OH 3.27Å; T91-F187 HydrophobicContact CG2-CE1 3.86Å; T91-F187 HydrophobicContact CG2-CZ 3.82Å
92	L	96.3	Very high	96.1	Very high	1 Å²	1	20 Å²	20	1%	0.005	11%	0.111	C	C	.	.			trans	-89.6	66.7	-165.7	-68.6	-178.9	0	0	0	114.5	V88 M89 H94 L97 Q99 Y151 M152 Q155 V157 F182	V88-L92 HydrophobicContact CG1-CD1 3.69Å; V88-L92 HydrophobicContact CG1-CG 4.35Å; V88-L92 WeakPolarHBondContact O-CG 3.43Å; V88-L92 PolarHBondContact O-N 3.45Å; M89-L92 PolarHBondContact O-N 2.92Å; L92-H94 PolarHBondContact O-N 2.87Å; L92-H94 VanDerWaalsContact O-N 3.15Å; L92-L97 HydrophobicContact CB-CD1 3.93Å; L92-L97 HydrophobicContact CD1-CD1 4.31Å; L92-L97 HydrophobicContact CD2-CD1 3.99Å; L92-L97 HydrophobicContact CG-CD1 4.31Å; L92-Q99 PolarHBondContact O-NE2 3.37Å; L92-Y151 HydrophobicContact CD2-CD1 4.47Å; L92-Y151 HydrophobicContact CD2-CE1 4.17Å; L92-M152 HydrophobicContact CD1-CG 4.34Å; L92-M152 HydrophobicContact CD2-CB 4.19Å; L92-M152 HydrophobicContact CD2-CG 3.96Å; L92-Q155 HydrophobicContact CD2-CB 4.22Å; L92-Q155 HydrophobicContact CD2-CG 4.35Å; L92-V157 HydrophobicContact CD1-CG1 4.3Å; L92-V157 HydrophobicContact CD2-CB 4.29Å; L92-V157 HydrophobicContact CD2-CG2 4.17Å; L92-F182 HydrophobicContact CD1-CD1 3.64Å; L92-F182 HydrophobicContact CD1-CE1 3.32Å; L92-F182 HydrophobicContact CD1-CG 4.49Å; L92-F182 HydrophobicContact CD1-CZ 3.94Å
93	R	94	Very high	96.3	Very high	50 Å²	50	19.7 Å²	19.7	19%	0.189	11%	0.109	C	C	.	.			trans	-88.9	71.8	-173.2	-52.6	-46.6	178.5	153.6	0	113.7	L23 L24 K26 N90 T91 Y151	L23-R93 PolarHBondContact O-NH1 2.9Å; L24-R93 WeakPolarHBondContact O-CB 3.27Å; L24-R93 VanDerWaalsContact O-CD 3.3Å; L24-R93 WeakPolarHBondContact O-CD 3.41Å; L24-R93 WeakPolarHBondContact O-CG 3.2Å; K26-R93 PolarHBondContact O-NH1 3.2Å; K26-R93 PolarHBondContact O-NH2 2.95Å; N90-R93 VanDerWaalsContact O-CZ 3.29Å; N90-R93 PolarHBondContact O-NE 2.71Å; N90-R93 PolarHBondContact O-NH2 2.79Å; N90-R93 PolarHBondContact OD1-NH2 2.9Å; T91-R93 PolarHBondContact O-N 3.13Å; R93-Y151 PolarHBondContact N-OH 3.19Å
94	H	95.2	Very high	96.3	Very high	33 Å²	33	17.8 Å²	17.8	15%	0.153	10%	0.098	C	C	.	.			trans	-143.5	135.7	-174.9	-172.7	-114.2	0	0	0	112.7	L92 R96 L97 Q99 Q147 Y151	L92-H94 PolarHBondContact O-N 2.87Å; L92-H94 VanDerWaalsContact O-N 3.15Å; H94-R96 VanDerWaalsContact CE1-CG 3.42Å; H94-R96 WeakPolarHBondContact CE1-CG 3.42Å; H94-R96 PolarHBondContact O-N 3Å; H94-L97 HydrophobicContact CB-CD1 4.04Å; H94-L97 HydrophobicContact CB-CG 4.17Å; H94-L97 PolarHBondContact O-N 3.17Å; H94-Q99 PolarHBondContact O-NE2 3.47Å; H94-Q147 VanDerWaalsContact CE1-C 3.46Å; H94-Q147 PolarHBondContact CE1-O 2.87Å; H94-Y151 HydrophobicContact CB-CD1 3.45Å; H94-Y151 VanDerWaalsContact CB-CD1 3.45Å; H94-Y151 HydrophobicContact CB-CD2 4.04Å; H94-Y151 HydrophobicContact CB-CE1 3.79Å; H94-Y151 HydrophobicContact CB-CE2 4.3Å; H94-Y151 HydrophobicContact CB-CG 3.61Å; H94-Y151 AromaticContact CD2-CD2 3.89Å; H94-Y151 AromaticContact CD2-CG 3.85Å; H94-Y151 AromaticContact CG-CD1 3.97Å; H94-Y151 AromaticContact CG-CG 3.64Å
95	P	94.8	Very high	96.4	Very high	44 Å²	44	16.8 Å²	16.8	29%	0.286	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-6.4	-174.7	27.9	-38.4	0	0	0	114.8	T19 K178	T19-P95 WeakPolarHBondContact OG1-CB 3.35Å; P95-K178 WeakPolarHBondContact O-CE 3.48Å; P95-K178 PolarHBondContact O-NZ 3.1Å
96	R	96.6	Very high	96.4	Very high	9 Å²	9	19 Å²	19	3%	0.034	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	2.7	172.3	-51.2	-60	86.5	-167.1	2.4	113.7	D18 H94 E144 Q147 T177 K178 I179	D18-R96 IonicContact OD2-CZ 2.75Å; D18-R96 IonicContact OD2-NH1 2.7Å; D18-R96 IonicContact OD2-NH2 2.8Å; D18-R96 PolarHBondContact OD2-NH2 3.23Å; H94-R96 VanDerWaalsContact CE1-CG 3.42Å; H94-R96 WeakPolarHBondContact CE1-CG 3.42Å; H94-R96 PolarHBondContact O-N 3Å; R96-E144 WeakPolarHBondContact CD-O 3.4Å; R96-E144 WeakPolarHBondContact CD-OE2 3.29Å; R96-E144 VanDerWaalsContact CG-O 3.25Å; R96-E144 WeakPolarHBondContact CG-O 3.35Å; R96-E144 IonicContact CZ-OE2 3.2Å; R96-E144 IonicContact NE-OE2 2.62Å; R96-E144 IonicContact NH1-OE2 2.69Å; R96-E144 PolarHBondContact NH1-OE2 2.87Å; R96-Q147 HydrophobicContact CG-CB 4.21Å; R96-T177 PolarHBondContact NH1-O 3.3Å; R96-K178 CarbonylContact O-C 3.56Å; R96-K178 VanDerWaalsContact O-CA 3.23Å; R96-K178 WeakPolarHBondContact O-CA 3.35Å; R96-I179 PolarHBondContact O-N 2.81Å
97	L	96.8	Very high	96.2	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-122.5	140.7	-179.9	-52	178.5	0	0	0	108.9	L92 H94 Q99 Y151 M152 I179 F182	L92-L97 HydrophobicContact CB-CD1 3.93Å; L92-L97 HydrophobicContact CD1-CD1 4.31Å; L92-L97 HydrophobicContact CD2-CD1 3.99Å; L92-L97 HydrophobicContact CG-CD1 4.31Å; H94-L97 HydrophobicContact CB-CD1 4.04Å; H94-L97 HydrophobicContact CB-CG 4.17Å; H94-L97 PolarHBondContact O-N 3.17Å; L97-Q99 PolarHBondContact O-N 3.44Å; L97-Q99 PolarHBondContact O-NE2 2.83Å; L97-Y151 HydrophobicContact CD1-CD1 3.79Å; L97-Y151 HydrophobicContact CD1-CE1 4.34Å; L97-M152 HydrophobicContact CD1-CB 4.12Å; L97-I179 HydrophobicContact CD2-CB 4.04Å; L97-I179 HydrophobicContact CD2-CD1 3.95Å; L97-I179 HydrophobicContact CD2-CG1 4.45Å; L97-F182 HydrophobicContact CB-CZ 4.18Å; L97-F182 HydrophobicContact CD2-CZ 4.11Å
98	I	95.8	Very high	96.1	Very high	12 Å²	12	29.6 Å²	29.6	6%	0.062	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-65.7	130.8	-178.8	-154.7	172.6	0	0	0	110.8	M89 L114 E115 I117 I179 I180 F182	M89-I98 HydrophobicContact CE-CG2 3.47Å; M89-I98 VanDerWaalsContact CE-CG2 3.47Å; M89-I98 WeakPolarHBondContact CE-O 3.44Å; I98-L114 HydrophobicContact CD1-CB 4.15Å; I98-L114 HydrophobicContact CD1-CD1 4.34Å; I98-E115 VanDerWaalsContact CA-OE1 3.32Å; I98-E115 WeakPolarHBondContact CA-OE1 3.41Å; I98-E115 HydrophobicContact CD1-CG 4.48Å; I98-E115 HydrophobicContact CG1-CG 3.69Å; I98-I117 HydrophobicContact CD1-CD1 4.04Å; I98-I117 HydrophobicContact CG1-CD1 4.08Å; I98-I179 PolarHBondContact N-O 3.05Å; I98-I180 HydrophobicContact CB-CB 4.39Å; I98-I180 HydrophobicContact CB-CG2 4.24Å; I98-I180 HydrophobicContact CD1-CB 4.1Å; I98-I180 HydrophobicContact CD1-CG2 4.08Å; I98-F182 HydrophobicContact CG2-CD2 4.13Å; I98-F182 HydrophobicContact CG2-CE2 3.98Å
99	Q	96.6	Very high	96	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-91	132.3	-178.8	-60.7	-56.5	-74.2	0	0	111.5	T19 L23 L24 L92 H94 L97 E115	T19-Q99 HydrophobicContact CG2-CG 4.23Å; L23-Q99 HydrophobicContact CB-CB 3.8Å; L23-Q99 HydrophobicContact CB-CG 4.07Å; L23-Q99 PolarHBondContact O-OE1 2.65Å; L24-Q99 HydrophobicContact CD2-CG 4.07Å; L92-Q99 PolarHBondContact O-NE2 3.37Å; H94-Q99 PolarHBondContact O-NE2 3.47Å; L97-Q99 PolarHBondContact O-N 3.44Å; L97-Q99 PolarHBondContact O-NE2 2.83Å; Q99-E115 PolarHBondContact N-OE1 3.37Å; Q99-E115 PolarHBondContact O-N 2.97Å; Q99-E115 VanDerWaalsContact O-N 3.15Å
100	L	96.5	Very high	96	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	132.8	169.7	-175.2	64.9	0	0	0	109.3	V28 I86 M89 L112 L114	V28-L100 HydrophobicContact CB-CD2 3.89Å; V28-L100 HydrophobicContact CB-CG 4.14Å; V28-L100 HydrophobicContact CG1-CD2 3.89Å; V28-L100 HydrophobicContact CG1-CG 4.06Å; V28-L100 HydrophobicContact CG2-CB 4.48Å; V28-L100 HydrophobicContact CG2-CD2 4.27Å; V28-L100 HydrophobicContact CG2-CG 4.02Å; I86-L100 HydrophobicContact CB-CD2 4.3Å; I86-L100 HydrophobicContact CG1-CD2 4.17Å; I86-L100 HydrophobicContact CG2-CD2 4.06Å; M89-L100 HydrophobicContact CB-CB 4.05Å; M89-L100 HydrophobicContact CB-CD2 4.25Å; M89-L100 HydrophobicContact CE-CB 4.13Å; M89-L100 HydrophobicContact SD-CB 4.44Å; L100-L112 HydrophobicContact CD1-CB 4Å; L100-L112 HydrophobicContact CD1-CD2 4.38Å; L100-L114 HydrophobicContact CB-CD2 4.44Å; L100-L114 HydrophobicContact CD1-CD2 3.7Å
101	Y	96.1	Very high	96	Very high	5 Å²	5	31.9 Å²	31.9	2%	0.02	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-49	-179.8	-171.6	-111.6	0	0	0	112.7	F22 L23 K26 V28 Y40 E59 F66 V113	F22-Y101 AromaticContact CD1-CE2 3.85Å; F22-Y101 HydrophobicContact CD1-CE2 3.85Å; F22-Y101 AromaticContact CE1-CE2 3.63Å; F22-Y101 HydrophobicContact CE1-CE2 3.63Å; L23-Y101 HydrophobicContact CD2-CD2 3.4Å; L23-Y101 VanDerWaalsContact CD2-CD2 3.4Å; L23-Y101 HydrophobicContact CD2-CE2 3.9Å; L23-Y101 HydrophobicContact CD2-CG 4.3Å; K26-Y101 HydrophobicContact CD-CD2 3.68Å; K26-Y101 HydrophobicContact CD-CE2 3.8Å; K26-Y101 HydrophobicContact CD-CG 4.36Å; K26-Y101 WeakPolarHBondContact CD-O 3.5Å; K26-Y101 WeakPolarHBondContact CE-O 3.42Å; K26-Y101 PolarHBondContact NZ-O 2.81Å; V28-Y101 VanDerWaalsContact CG2-O 3.31Å; V28-Y101 WeakPolarHBondContact CG2-O 3.3Å; Y40-Y101 VanDerWaalsContact OH-CD1 3.3Å; Y40-Y101 WeakPolarHBondContact OH-CD1 3.45Å; Y40-Y101 VanDerWaalsContact OH-CE1 3.28Å; Y40-Y101 WeakPolarHBondContact OH-CE1 3.49Å; E59-Y101 PolarHBondContact OE2-OH 2.87Å; F66-Y101 HydrophobicContact CD1-CD1 4.04Å; F66-Y101 HydrophobicContact CD1-CG 4.02Å; F66-Y101 HydrophobicContact CD2-CD1 4.44Å; F66-Y101 AromaticContact CE1-CD1 3.52Å; F66-Y101 HydrophobicContact CE1-CD1 3.52Å; F66-Y101 AromaticContact CE1-CD2 3.7Å; F66-Y101 HydrophobicContact CE1-CD2 3.7Å; F66-Y101 AromaticContact CE1-CE1 3.85Å; F66-Y101 HydrophobicContact CE1-CE1 3.85Å; F66-Y101 HydrophobicContact CE1-CE2 4Å; F66-Y101 AromaticContact CE1-CG 3.4Å; F66-Y101 HydrophobicContact CE1-CG 3.4Å; F66-Y101 VanDerWaalsContact CE1-CG 3.4Å; F66-Y101 AromaticContact CE2-CD1 3.94Å; F66-Y101 HydrophobicContact CE2-CD1 3.94Å; F66-Y101 AromaticContact CE2-CE1 3.65Å; F66-Y101 HydrophobicContact CE2-CE1 3.65Å; F66-Y101 HydrophobicContact CG-CD1 4.48Å; F66-Y101 AromaticContact CZ-CD1 3.46Å; F66-Y101 HydrophobicContact CZ-CD1 3.46Å; F66-Y101 VanDerWaalsContact CZ-CD1 3.46Å; F66-Y101 AromaticContact CZ-CD2 3.94Å; F66-Y101 HydrophobicContact CZ-CD2 3.94Å; F66-Y101 AromaticContact CZ-CE1 3.27Å; F66-Y101 HydrophobicContact CZ-CE1 3.27Å; F66-Y101 AromaticContact CZ-CE2 3.77Å; F66-Y101 HydrophobicContact CZ-CE2 3.77Å; F66-Y101 AromaticContact CZ-CG 3.77Å; F66-Y101 HydrophobicContact CZ-CG 3.77Å; F66-Y101 AromaticContact CZ-CZ 3.4Å; F66-Y101 VanDerWaalsContact CZ-CZ 3.4Å; Y101-V113 WeakPolarHBondContact CA-O 3.27Å; Y101-V113 WeakPolarHBondContact CB-O 3.3Å; Y101-V113 HydrophobicContact CD1-CG1 4.15Å; Y101-V113 PolarHBondContact N-O 3.12Å
102	D	97.2	Very high	96.1	Very high	21 Å²	21	29.6 Å²	29.6	11%	0.112	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	163.4	176.2	-77.6	-57.5	0	0	0	110.2	K26 Y40 Y104 V113	K26-D102 WeakPolarHBondContact CE-OD1 3.43Å; K26-D102 IonicContact NZ-OD1 3.74Å; K26-D102 PolarHBondContact NZ-OD1 2.7Å; K26-D102 IonicContact NZ-OD2 2.71Å; K26-D102 PolarHBondContact NZ-OD2 2.68Å; Y40-D102 PolarHBondContact OH-OD2 2.91Å; D102-Y104 HydrophobicContact CB-CD2 4.38Å; D102-Y104 HydrophobicContact CB-CE2 3.6Å; D102-V113 HydrophobicContact CB-CB 4.08Å; D102-V113 HydrophobicContact CB-CG2 4.1Å; D102-V113 PolarHBondContact N-O 3.07Å; D102-V113 PolarHBondContact O-N 2.98Å
103	A	98	Very high	96.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	132.1	174	0	0	0	0	0	110.1	V28 L30 Q31 I86 T111 L112	V28-A103 HydrophobicContact CG1-CB 3.83Å; L30-A103 HydrophobicContact CD1-CB 3.87Å; Q31-A103 PolarHBondContact N-O 3.45Å; I86-A103 HydrophobicContact CD1-CB 3.81Å; I86-A103 HydrophobicContact CG1-CB 4.33Å; A103-T111 WeakPolarHBondContact CA-O 3.46Å; A103-L112 HydrophobicContact CB-CD2 3.92Å
104	Y	98.2	Very high	96.2	Very high	16 Å²	16	27.7 Å²	27.7	6%	0.063	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	145.2	-177.6	-64.9	-81.5	0	0	0	110.3	Q31 T34 I36 Y39 Y40 D102 V110 T111 V113	Q31-Y104 HydrophobicContact CB-CD1 3.74Å; Q31-Y104 HydrophobicContact CB-CE1 4.04Å; Q31-Y104 HydrophobicContact CG-CD1 4.22Å; Q31-Y104 HydrophobicContact CG-CE1 4.06Å; Q31-Y104 CarbonylContact O-C 3.51Å; Q31-Y104 WeakPolarHBondContact O-CA 3.48Å; T34-Y104 HydrophobicContact CG2-CD1 3.62Å; T34-Y104 HydrophobicContact CG2-CE1 3.92Å; I36-Y104 HydrophobicContact CB-CD2 3.99Å; I36-Y104 HydrophobicContact CB-CG 4.21Å; I36-Y104 HydrophobicContact CD1-CD2 4.31Å; I36-Y104 HydrophobicContact CG1-CD2 3.9Å; I36-Y104 HydrophobicContact CG1-CE2 4.16Å; Y39-Y104 AromaticContact CD2-CE1 3.58Å; Y39-Y104 HydrophobicContact CD2-CE1 3.58Å; Y39-Y104 AromaticContact CD2-CZ 3.85Å; Y39-Y104 AromaticContact CE2-CE1 3.88Å; Y39-Y104 HydrophobicContact CE2-CE1 3.88Å; Y40-Y104 HydrophobicContact CD2-CE2 4.31Å; Y40-Y104 AromaticContact CE2-CE2 3.71Å; Y40-Y104 HydrophobicContact CE2-CE2 3.71Å; D102-Y104 HydrophobicContact CB-CD2 4.38Å; D102-Y104 HydrophobicContact CB-CE2 3.6Å; Y104-V110 CarbonylContact O-C 3.57Å; Y104-V110 WeakPolarHBondContact O-CA 3.47Å; Y104-T111 PolarHBondContact N-O 3.15Å; Y104-T111 PolarHBondContact O-N 3.47Å; Y104-V113 HydrophobicContact CD2-CG2 4.08Å; Y104-V113 HydrophobicContact CE2-CG2 4Å
105	Q	97.1	Very high	96.2	Very high	28 Å²	28	26.9 Å²	26.9	13%	0.131	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	133.6	168.5	-175.8	-166.9	-4.2	0	0	110.1	L30 Q31 R32 N33 T34 M79 D107 E109 V110	L30-Q105 HydrophobicContact CD1-CB 4.12Å; L30-Q105 HydrophobicContact CD2-CB 4.36Å; L30-Q105 HydrophobicContact CG-CB 4.31Å; Q31-Q105 PolarHBondContact O-N 3.44Å; R32-Q105 CarbonylContact C-O 3.52Å; N33-Q105 CarbonylContact C-O 3.58Å; N33-Q105 WeakPolarHBondContact CA-O 3.3Å; N33-Q105 PolarHBondContact N-O 3.45Å; T34-Q105 PolarHBondContact N-O 3.25Å; M79-Q105 HydrophobicContact CE-CG 4.5Å; Q105-D107 PolarHBondContact NE2-O 3.12Å; Q105-E109 WeakPolarHBondContact CA-O 3.48Å; Q105-E109 WeakPolarHBondContact CG-O 3.36Å; Q105-V110 HydrophobicContact CB-CG2 4.05Å; Q105-V110 HydrophobicContact CG-CG2 3.87Å
106	I	95.5	Very high	96.1	Very high	49 Å²	49	26.7 Å²	26.7	25%	0.251	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	133.4	165.8	-174.7	162.7	0	0	0	109.1	D35 E108 E109	D35-I106 HydrophobicContact CB-CD1 3.81Å; I106-E108 PolarHBondContact O-N 2.66Å; I106-E109 PolarHBondContact N-O 2.78Å; I106-E109 PolarHBondContact O-N 3.31Å; I106-E109 VanDerWaalsContact O-O 3.07Å
107	D	92.9	Very high	95.9	Very high	137 Å²	137	27.6 Å²	27.6	73%	0.733	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.2	-128.6	-174.1	-58.9	-20.1	0	0	0	112.7	Q105 E109	Q105-D107 PolarHBondContact NE2-O 3.12Å; D107-E109 VanDerWaalsContact C-N 3.28Å; D107-E109 PolarHBondContact O-N 3.02Å
108	E	93.7	Very high	95.5	Very high	141 Å²	141	32.8 Å²	32.8	66%	0.659	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	24.6	177.6	-65.3	176.2	178.3	0	0	112.5	I73 I106	I73-E108 PolarHBondContact N-O 2.96Å; I106-E108 PolarHBondContact O-N 2.66Å
109	E	95.6	Very high	95.2	Very high	73 Å²	73	32.9 Å²	32.9	34%	0.341	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	134.3	-179.6	-169.6	174.3	74.1	0	0	112.7	Q105 I106 D107	Q105-E109 WeakPolarHBondContact CA-O 3.48Å; Q105-E109 WeakPolarHBondContact CG-O 3.36Å; I106-E109 PolarHBondContact N-O 2.78Å; I106-E109 PolarHBondContact O-N 3.31Å; I106-E109 VanDerWaalsContact O-O 3.07Å; D107-E109 VanDerWaalsContact C-N 3.28Å; D107-E109 PolarHBondContact O-N 3.02Å
110	V	96.9	Very high	94.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.5	167.5	175.4	0	0	0	0	109.3	L30 V71 I73 M79 V82 Y104 Q105 L112	L30-V110 HydrophobicContact CD1-CG1 3.81Å; V71-V110 PolarHBondContact N-O 3.1Å; V71-V110 PolarHBondContact O-N 3.5Å; I73-V110 HydrophobicContact CD1-CB 4.38Å; I73-V110 HydrophobicContact CD1-CG2 4.04Å; I73-V110 HydrophobicContact CG1-CB 4.42Å; I73-V110 HydrophobicContact CG1-CG2 3.85Å; M79-V110 HydrophobicContact CE-CG2 3.74Å; V82-V110 HydrophobicContact CG1-CB 4.12Å; V82-V110 HydrophobicContact CG1-CG1 3.6Å; Y104-V110 CarbonylContact O-C 3.57Å; Y104-V110 WeakPolarHBondContact O-CA 3.47Å; Q105-V110 HydrophobicContact CB-CG2 4.05Å; Q105-V110 HydrophobicContact CG-CG2 3.87Å; V110-L112 HydrophobicContact CG1-CD2 4.01Å
111	T	97.3	Very high	94.7	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.6	173.4	-50	0	0	0	0	110.9	I36 A68 K69 F70 A103 Y104	I36-T111 HydrophobicContact CD1-CG2 3.52Å; I36-T111 HydrophobicContact CG2-CG2 4.34Å; A68-T111 HydrophobicContact CB-CG2 3.74Å; K69-T111 CarbonylContact O-C 3.56Å; K69-T111 WeakPolarHBondContact O-CA 3.48Å; F70-T111 HydrophobicContact CD1-CG2 3.85Å; F70-T111 VanDerWaalsContact CD1-OG1 3.27Å; F70-T111 WeakPolarHBondContact CD1-OG1 3.38Å; F70-T111 HydrophobicContact CD2-CG2 4.38Å; F70-T111 HydrophobicContact CE1-CG2 3.71Å; F70-T111 WeakPolarHBondContact CE1-OG1 3.48Å; F70-T111 HydrophobicContact CE2-CG2 4.24Å; F70-T111 HydrophobicContact CG-CG2 4.18Å; F70-T111 HydrophobicContact CZ-CG2 3.91Å; A103-T111 WeakPolarHBondContact CA-O 3.46Å; Y104-T111 PolarHBondContact N-O 3.15Å; Y104-T111 PolarHBondContact O-N 3.47Å
112	L	96.7	Very high	94.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	122.8	171	-54.1	-177.7	0	0	0	109.5	A68 K69 V82 E85 I86 L100 A103 V110	A68-L112 CarbonylContact C-O 3.51Å; A68-L112 WeakPolarHBondContact CA-O 3.33Å; K69-L112 HydrophobicContact CB-CB 4.35Å; K69-L112 HydrophobicContact CD-CD1 4.4Å; K69-L112 PolarHBondContact N-O 3.28Å; K69-L112 PolarHBondContact O-N 2.92Å; V82-L112 HydrophobicContact CG1-CD1 4.45Å; V82-L112 HydrophobicContact CG1-CD2 4.12Å; E85-L112 HydrophobicContact CG-CD1 4.29Å; I86-L112 HydrophobicContact CD1-CD2 3.77Å; I86-L112 HydrophobicContact CG1-CD2 3.63Å; L100-L112 HydrophobicContact CD1-CB 4Å; L100-L112 HydrophobicContact CD1-CD2 4.38Å; A103-L112 HydrophobicContact CB-CD2 3.92Å; V110-L112 HydrophobicContact CG1-CD2 4.01Å
113	V	97.2	Very high	94.4	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	115.1	175	-173.1	0	0	0	0	108.5	I36 Y40 F66 Y101 D102 Y104	I36-V113 HydrophobicContact CD1-CG2 3.51Å; I36-V113 HydrophobicContact CG1-CG2 4.37Å; Y40-V113 HydrophobicContact CE1-CG1 3.89Å; Y40-V113 HydrophobicContact CE2-CG2 4.37Å; F66-V113 HydrophobicContact CB-CG1 3.55Å; F66-V113 HydrophobicContact CD1-CG1 4.14Å; F66-V113 HydrophobicContact CD2-CG1 4.36Å; F66-V113 HydrophobicContact CG-CG1 3.78Å; Y101-V113 WeakPolarHBondContact CA-O 3.27Å; Y101-V113 WeakPolarHBondContact CB-O 3.3Å; Y101-V113 HydrophobicContact CD1-CG1 4.15Å; Y101-V113 PolarHBondContact N-O 3.12Å; D102-V113 HydrophobicContact CB-CB 4.08Å; D102-V113 HydrophobicContact CB-CG2 4.1Å; D102-V113 PolarHBondContact N-O 3.07Å; D102-V113 PolarHBondContact O-N 2.98Å; Y104-V113 HydrophobicContact CD2-CG2 4.08Å; Y104-V113 HydrophobicContact CE2-CG2 4Å
114	L	95.7	Very high	94.1	Very high	10 Å²	10	38.6 Å²	38.6	5%	0.052	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	158.5	-174.5	-57.6	174.6	0	0	0	110.7	F66 A67 K69 M89 I98 L100	F66-L114 WeakPolarHBondContact CA-O 3.13Å; F66-L114 WeakPolarHBondContact CB-O 3.29Å; A67-L114 PolarHBondContact N-O 2.93Å; A67-L114 WeakPolarHBondContact O-CB 3.33Å; A67-L114 PolarHBondContact O-N 3.35Å; K69-L114 HydrophobicContact CB-CD1 4.14Å; K69-L114 HydrophobicContact CD-CD1 4.33Å; M89-L114 HydrophobicContact CE-CD2 3.62Å; M89-L114 HydrophobicContact SD-CD2 4.39Å; I98-L114 HydrophobicContact CD1-CB 4.15Å; I98-L114 HydrophobicContact CD1-CD1 4.34Å; L100-L114 HydrophobicContact CB-CD2 4.44Å; L100-L114 HydrophobicContact CD1-CD2 3.7Å
115	E	94.4	Very high	93.7	Very high	17 Å²	17	38.8 Å²	38.8	8%	0.079	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	141.3	171.4	77.4	-173.5	127	0	0	112.2	L23 I98 Q99 I117 K178	L23-E115 HydrophobicContact CD1-CB 3.79Å; I98-E115 VanDerWaalsContact CA-OE1 3.32Å; I98-E115 WeakPolarHBondContact CA-OE1 3.41Å; I98-E115 HydrophobicContact CD1-CG 4.48Å; I98-E115 HydrophobicContact CG1-CG 3.69Å; Q99-E115 PolarHBondContact N-OE1 3.37Å; Q99-E115 PolarHBondContact O-N 2.97Å; Q99-E115 VanDerWaalsContact O-N 3.15Å; E115-I117 HydrophobicContact CG-CG1 4.21Å; E115-I117 PolarHBondContact O-N 3.36Å; E115-K178 WeakPolarHBondContact OE1-CD 3.45Å; E115-K178 WeakPolarHBondContact OE1-CE 3.28Å; E115-K178 IonicContact OE1-NZ 3.69Å; E115-K178 PolarHBondContact OE1-NZ 3.15Å; E115-K178 WeakPolarHBondContact OE2-CE 3.3Å; E115-K178 IonicContact OE2-NZ 2.69Å; E115-K178 PolarHBondContact OE2-NZ 2.92Å
116	L	93.7	Very high	93.4	Very high	39 Å²	39	37.4 Å²	37.4	20%	0.204	20%	0.203	C	C	.	.			trans	-84.7	109.5	-178	-177.1	62.2	0	0	0	111.5	L46 R56 E65 A67 T118	L46-L116 HydrophobicContact CD1-CD1 3.7Å; R56-L116 HydrophobicContact CG-CD2 4.09Å; E65-L116 HydrophobicContact CB-CD2 3.86Å; A67-L116 HydrophobicContact CB-CD1 4.18Å; L116-T118 HydrophobicContact CD2-CG2 4.38Å; L116-T118 HydrophobicContact CG-CG2 4.01Å
117	I	92	Very high	93.1	Very high	28 Å²	28	35.7 Å²	35.7	14%	0.144	19%	0.194	C	C	.	.			trans	-99.4	130.5	174.8	-54.7	176.3	0	0	0	109.8	I98 E115 L168 C169 K178 I180	I98-I117 HydrophobicContact CD1-CD1 4.04Å; I98-I117 HydrophobicContact CG1-CD1 4.08Å; E115-I117 HydrophobicContact CG-CG1 4.21Å; E115-I117 PolarHBondContact O-N 3.36Å; I117-L168 HydrophobicContact CB-CD1 3.98Å; I117-L168 HydrophobicContact CD1-CD1 4.45Å; I117-L168 HydrophobicContact CG2-CB 3.78Å; I117-L168 HydrophobicContact CG2-CD1 4.01Å; I117-C169 WeakPolarHBondContact CG2-O 3.4Å; I117-K178 HydrophobicContact CD1-CB 3.81Å; I117-K178 HydrophobicContact CD1-CD 3.96Å; I117-K178 HydrophobicContact CD1-CG 3.95Å; I117-I180 HydrophobicContact CD1-CG2 3.82Å
118	T	89.2	Confident	93	Very high	109 Å²	109	32.8 Å²	32.8	67%	0.669	18%	0.178	S	C	*	.			trans	-121.7	-3	-170.6	58	0	0	0	0	115	L116 G120	L116-T118 HydrophobicContact CD2-CG2 4.38Å; L116-T118 HydrophobicContact CG-CG2 4.01Å; T118-G120 VanDerWaalsContact C-N 3.33Å; T118-G120 PolarHBondContact O-N 3.07Å
119	G	89	Confident	92.6	Very high	14 Å²	14	33.3 Å²	33.3	14%	0.144	18%	0.181	C	C	.	.	S	Bend	trans	-81.1	0.1	-179.6	0	0	0	0	0	116.4	C169	G119-C169 CarbonylContact C-O 3.54Å; G119-C169 WeakPolarHBondContact CA-O 3.42Å; G119-C169 PolarHBondContact N-O 3.42Å
120	G	90.6	Very high	92.1	Very high	36 Å²	36	35.1 Å²	35.1	37%	0.371	20%	0.201	S	C	.	.			trans	80.7	174.1	174.6	0	0	0	0	0	115.8	T118 L122 L168 C169	T118-G120 VanDerWaalsContact C-N 3.33Å; T118-G120 PolarHBondContact O-N 3.07Å; G120-L122 PolarHBondContact O-N 3.26Å; G120-L168 CarbonylContact O-C 3.51Å; G120-L168 WeakPolarHBondContact O-CA 3.42Å; G120-C169 PolarHBondContact O-N 3.42Å
121	E	92.6	Very high	91.7	Very high	33 Å²	33	36.1 Å²	36.1	15%	0.154	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-59.9	132.7	174.1	-68.9	-172.4	-170	0	0	110	F123 E124 R125 E165 L168 K323	E121-F123 PolarHBondContact O-N 3.13Å; E121-F123 VanDerWaalsContact O-N 3.14Å; E121-E124 HydrophobicContact CB-CB 4.46Å; E121-E124 HydrophobicContact CB-CG 4.06Å; E121-E124 PolarHBondContact O-N 3.19Å; E121-R125 PolarHBondContact O-N 2.84Å; E121-E165 WeakPolarHBondContact OE2-CG 3.3Å; E121-L168 HydrophobicContact CB-CD2 4.4Å; E121-L168 HydrophobicContact CG-CD2 4.04Å; E121-K323 IonicContact OE1-NZ 3.16Å; E121-K323 PolarHBondContact OE1-NZ 3.23Å
122	L	93.8	Very high	91.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-50.7	-42.5	179.4	169.4	62.1	0	0	0	112.1	G120 E124 R125 I126 F141 I145 I167 T177 M229	G120-L122 PolarHBondContact O-N 3.26Å; L122-E124 VanDerWaalsContact C-N 3.34Å; L122-E124 PolarHBondContact O-N 2.92Å; L122-R125 PolarHBondContact O-N 3.14Å; L122-I126 HydrophobicContact CD1-CG2 4.08Å; L122-I126 PolarHBondContact O-N 3.31Å; L122-F141 HydrophobicContact CD1-CB 4.32Å; L122-F141 HydrophobicContact CD1-CD1 3.54Å; L122-F141 HydrophobicContact CD1-CD2 3.86Å; L122-F141 HydrophobicContact CD1-CE1 3.62Å; L122-F141 HydrophobicContact CD1-CE2 3.93Å; L122-F141 HydrophobicContact CD1-CG 3.66Å; L122-F141 HydrophobicContact CD1-CZ 3.82Å; L122-F141 HydrophobicContact CD2-CB 4.44Å; L122-I145 HydrophobicContact CD2-CD1 3.88Å; L122-I167 HydrophobicContact CB-CB 4.43Å; L122-I167 HydrophobicContact CB-CG2 4.06Å; L122-I167 WeakPolarHBondContact CB-O 3.48Å; L122-I167 HydrophobicContact CD2-CG2 3.85Å; L122-I167 PolarHBondContact N-O 3.3Å; L122-T177 HydrophobicContact CD1-CG2 4.24Å; L122-M229 HydrophobicContact CD2-CE 4.12Å
123	F	92.1	Very high	90.8	Very high	3 Å²	3	40.7 Å²	40.7	1%	0.013	23%	0.23	C	C	.	.	H	α-helix	trans	-72.8	-23.3	-175.8	-90.1	-109.7	0	0	0	114	E121 I126 I127 P164 I225 V228 M229 L312 F315 V316	E121-F123 PolarHBondContact O-N 3.13Å; E121-F123 VanDerWaalsContact O-N 3.14Å; F123-I126 HydrophobicContact CD1-CD1 3.97Å; F123-I126 HydrophobicContact CD2-CD1 4.16Å; F123-I126 HydrophobicContact CE1-CD1 4.16Å; F123-I126 HydrophobicContact CE2-CD1 4.34Å; F123-I126 HydrophobicContact CG-CD1 3.98Å; F123-I126 HydrophobicContact CZ-CD1 4.34Å; F123-I126 WeakPolarHBondContact O-CG1 3.38Å; F123-I127 WeakPolarHBondContact O-CG1 3.46Å; F123-P164 HydrophobicContact CB-CB 4.17Å; F123-P164 HydrophobicContact CD1-CB 4.19Å; F123-P164 HydrophobicContact CD1-CG 4.36Å; F123-P164 HydrophobicContact CD2-CB 3.51Å; F123-P164 HydrophobicContact CD2-CG 4.02Å; F123-P164 HydrophobicContact CE1-CG 4.22Å; F123-P164 HydrophobicContact CE2-CB 3.88Å; F123-P164 HydrophobicContact CE2-CG 3.88Å; F123-P164 HydrophobicContact CG-CB 3.68Å; F123-P164 HydrophobicContact CG-CG 4.26Å; F123-P164 HydrophobicContact CZ-CB 4.37Å; F123-P164 HydrophobicContact CZ-CG 3.98Å; F123-I225 HydrophobicContact CE2-CG2 4.13Å; F123-I225 HydrophobicContact CZ-CG2 4.32Å; F123-V228 HydrophobicContact CE1-CB 4.1Å; F123-V228 HydrophobicContact CE1-CG1 3.74Å; F123-V228 HydrophobicContact CZ-CB 4.4Å; F123-M229 HydrophobicContact CZ-CB 4.13Å; F123-L312 HydrophobicContact CD1-CD1 3.96Å; F123-L312 HydrophobicContact CE1-CD1 3.82Å; F123-F315 HydrophobicContact CD1-CD1 4.35Å; F123-F315 HydrophobicContact CD1-CE1 4.2Å; F123-F315 HydrophobicContact CE1-CE1 4.29Å; F123-V316 HydrophobicContact CB-CG2 3.91Å; F123-V316 HydrophobicContact CD1-CG2 4.23Å
124	E	91.3	Very high	90.4	Very high	76 Å²	76	41.7 Å²	41.7	36%	0.355	24%	0.235	S	C	.	.	H	α-helix	trans	-72.5	-38	170.1	-67.8	-166.4	-138	0	0	111.6	E121 L122 I127 D128 V316 K320	E121-E124 HydrophobicContact CB-CB 4.46Å; E121-E124 HydrophobicContact CB-CG 4.06Å; E121-E124 PolarHBondContact O-N 3.19Å; L122-E124 VanDerWaalsContact C-N 3.34Å; L122-E124 PolarHBondContact O-N 2.92Å; E124-I127 WeakPolarHBondContact O-CG1 3.29Å; E124-I127 PolarHBondContact O-N 3.31Å; E124-D128 PolarHBondContact O-N 3.25Å; E124-V316 HydrophobicContact CG-CG1 4.35Å; E124-K320 WeakPolarHBondContact OE1-CE 3.47Å; E124-K320 IonicContact OE1-NZ 3.11Å; E124-K320 PolarHBondContact OE1-NZ 3.35Å; E124-K320 IonicContact OE2-NZ 2.81Å; E124-K320 PolarHBondContact OE2-NZ 3.3Å
125	R	90.2	Very high	90.2	Very high	19 Å²	19	41.3 Å²	41.3	7%	0.072	23%	0.233	C	C	.	.	H	α-helix	trans	-71.6	-37.3	-176.7	-174.2	175.5	166.5	-139.2	-4.5	113.3	E121 L122 I127 D128 F131 C169 S171 A172 T173 S174	E121-R125 PolarHBondContact O-N 2.84Å; L122-R125 PolarHBondContact O-N 3.14Å; R125-I127 VanDerWaalsContact C-N 3.28Å; R125-I127 PolarHBondContact O-N 3.42Å; R125-D128 WeakPolarHBondContact O-CB 3.43Å; R125-D128 PolarHBondContact O-N 3.2Å; R125-F131 VanDerWaalsContact O-CB 3.3Å; R125-F131 WeakPolarHBondContact O-CB 3.39Å; R125-C169 PolarHBondContact NH1-SG 2.64Å; R125-S171 VanDerWaalsContact CZ-O 3.26Å; R125-S171 PolarHBondContact NH1-O 2.95Å; R125-A172 VanDerWaalsContact CZ-C 3.47Å; R125-A172 VanDerWaalsContact NE-C 3.29Å; R125-A172 PolarHBondContact NE-O 2.97Å; R125-A172 PolarHBondContact NH2-O 3.01Å; R125-T173 PolarHBondContact NH2-O 3.45Å; R125-S174 PolarHBondContact NH1-O 3.1Å; R125-S174 PolarHBondContact NH2-O 3.31Å
126	I	90.8	Very high	90	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-72.7	-18.9	177.6	62.2	-175.2	0	0	0	113.5	L122 F123 F131 L133 F141 M229 L312	L122-I126 HydrophobicContact CD1-CG2 4.08Å; L122-I126 PolarHBondContact O-N 3.31Å; F123-I126 HydrophobicContact CD1-CD1 3.97Å; F123-I126 HydrophobicContact CD2-CD1 4.16Å; F123-I126 HydrophobicContact CE1-CD1 4.16Å; F123-I126 HydrophobicContact CE2-CD1 4.34Å; F123-I126 HydrophobicContact CG-CD1 3.98Å; F123-I126 HydrophobicContact CZ-CD1 4.34Å; F123-I126 WeakPolarHBondContact O-CG1 3.38Å; I126-F131 HydrophobicContact CB-CD1 4.45Å; I126-F131 HydrophobicContact CG2-CD1 4.36Å; I126-F131 HydrophobicContact CG2-CE1 4.03Å; I126-L133 HydrophobicContact CB-CD1 4Å; I126-L133 HydrophobicContact CB-CD2 4.13Å; I126-L133 HydrophobicContact CG2-CD1 4.05Å; I126-F141 HydrophobicContact CG2-CD2 4.17Å; I126-F141 HydrophobicContact CG2-CE2 3.61Å; I126-F141 HydrophobicContact CG2-CZ 4.3Å; I126-M229 HydrophobicContact CD1-CG 4.08Å; I126-L312 HydrophobicContact CB-CD2 4.42Å; I126-L312 HydrophobicContact CD1-CD1 4.37Å; I126-L312 HydrophobicContact CD1-CD2 3.81Å; I126-L312 HydrophobicContact CD1-CG 4.44Å; I126-L312 HydrophobicContact CG1-CD2 3.77Å; I126-L312 HydrophobicContact CG1-CG 4.48Å
127	I	90.5	Very high	89.9	Confident	12 Å²	12	44 Å²	44	6%	0.062	25%	0.247	C	C	.	.	H	α-helix	trans	-90.7	-14.9	172.3	65.8	165.9	0	0	0	114	F123 E124 R125 L312 K313 V316 Y317	F123-I127 WeakPolarHBondContact O-CG1 3.46Å; E124-I127 WeakPolarHBondContact O-CG1 3.29Å; E124-I127 PolarHBondContact O-N 3.31Å; R125-I127 VanDerWaalsContact C-N 3.28Å; R125-I127 PolarHBondContact O-N 3.42Å; I127-L312 HydrophobicContact CG2-CB 3.91Å; I127-L312 HydrophobicContact CG2-CD2 3.92Å; I127-L312 HydrophobicContact CG2-CG 3.54Å; I127-K313 HydrophobicContact CB-CG 3.71Å; I127-K313 HydrophobicContact CD1-CG 4.14Å; I127-K313 HydrophobicContact CG1-CG 4.44Å; I127-K313 HydrophobicContact CG2-CG 4.03Å; I127-K313 WeakPolarHBondContact O-CE 3.3Å; I127-V316 HydrophobicContact CD1-CB 3.92Å; I127-V316 HydrophobicContact CD1-CG1 3.81Å; I127-V316 HydrophobicContact CD1-CG2 4.26Å; I127-V316 HydrophobicContact CG2-CG2 4.2Å; I127-Y317 HydrophobicContact CD1-CE1 4.48Å
128	D	89.1	Confident	90	Very high	77 Å²	77	42.7 Å²	42.7	41%	0.412	24%	0.24	S	C	.	.	S	Bend	trans	-54.5	142	176.3	-178.8	-94.6	0	0	0	110.6	E124 R125 S130 F131 K309	E124-D128 PolarHBondContact O-N 3.25Å; R125-D128 WeakPolarHBondContact O-CB 3.43Å; R125-D128 PolarHBondContact O-N 3.2Å; D128-S130 VanDerWaalsContact C-N 3.35Å; D128-S130 PolarHBondContact O-N 3.04Å; D128-S130 VanDerWaalsContact OD1-CB 3.3Å; D128-S130 WeakPolarHBondContact OD1-CB 3.36Å; D128-S130 PolarHBondContact OD1-N 3.47Å; D128-S130 PolarHBondContact OD1-OG 3.26Å; D128-F131 HydrophobicContact CB-CB 4.42Å; D128-F131 PolarHBondContact O-N 3.48Å; D128-K309 PolarHBondContact O-NZ 3.42Å
129	E	85.8	Confident	90.3	Very high	152 Å²	152	38.5 Å²	38.5	71%	0.71	21%	0.214	S	C	*	.	S	Bend	trans	-69.7	-33.8	-169.8	-57.1	-162.7	153.8	0	0	112.2	F131 K309 K313	E129-F131 VanDerWaalsContact C-N 3.33Å; E129-F131 PolarHBondContact O-N 3.21Å; E129-K309 PolarHBondContact O-NZ 3.42Å; E129-K313 IonicContact OE1-NZ 2.84Å; E129-K313 PolarHBondContact OE1-NZ 3.41Å
130	S	85.8	Confident	90.6	Very high	110 Å²	110	42.6 Å²	42.6	77%	0.769	23%	0.227	S	C	*	.	S	Bend	trans	-68.8	-28.8	176.3	74.8	0	0	0	0	113.4	D128 N132	D128-S130 VanDerWaalsContact C-N 3.35Å; D128-S130 PolarHBondContact O-N 3.04Å; D128-S130 VanDerWaalsContact OD1-CB 3.3Å; D128-S130 WeakPolarHBondContact OD1-CB 3.36Å; D128-S130 PolarHBondContact OD1-N 3.47Å; D128-S130 PolarHBondContact OD1-OG 3.26Å; S130-N132 PolarHBondContact O-N 3.44Å
131	F	87.4	Confident	90.8	Very high	22 Å²	22	40.9 Å²	40.9	10%	0.096	21%	0.21	C	C	.	.	S	Bend	trans	-79.5	86.2	-177.3	-168.4	-90.1	0	0	0	111.4	R125 I126 D128 E129 L133 R137 F141 F175 K309	R125-F131 VanDerWaalsContact O-CB 3.3Å; R125-F131 WeakPolarHBondContact O-CB 3.39Å; I126-F131 HydrophobicContact CB-CD1 4.45Å; I126-F131 HydrophobicContact CG2-CD1 4.36Å; I126-F131 HydrophobicContact CG2-CE1 4.03Å; D128-F131 HydrophobicContact CB-CB 4.42Å; D128-F131 PolarHBondContact O-N 3.48Å; E129-F131 VanDerWaalsContact C-N 3.33Å; E129-F131 PolarHBondContact O-N 3.21Å; F131-L133 HydrophobicContact CD1-CB 4.38Å; F131-L133 HydrophobicContact CD1-CD1 4.34Å; F131-L133 HydrophobicContact CE1-CD1 3.82Å; F131-L133 PolarHBondContact O-N 3.25Å; F131-L133 VanDerWaalsContact O-N 3.16Å; F131-R137 HydrophobicContact CE1-CB 4.49Å; F131-R137 HydrophobicContact CZ-CB 4.41Å; F131-F141 AromaticContact CE1-CE2 3.96Å; F131-F141 HydrophobicContact CE1-CE2 3.96Å; F131-F141 HydrophobicContact CE1-CZ 4.45Å; F131-F141 HydrophobicContact CE2-CE2 4.44Å; F131-F141 HydrophobicContact CE2-CZ 4.16Å; F131-F141 AromaticContact CZ-CE2 3.52Å; F131-F141 HydrophobicContact CZ-CE2 3.52Å; F131-F141 AromaticContact CZ-CZ 3.68Å; F131-F141 HydrophobicContact CZ-CZ 3.68Å; F131-F175 HydrophobicContact CE2-CE1 4.37Å; F131-F175 AromaticContact CZ-CE1 3.9Å; F131-F175 HydrophobicContact CZ-CE1 3.9Å; F131-F175 HydrophobicContact CZ-CZ 4.34Å; F131-K309 WeakPolarHBondContact O-CE 3.07Å; F131-K309 PolarHBondContact O-NZ 3.43Å
132	N	86.7	Confident	91	Very high	93 Å²	93	39.3 Å²	39.3	50%	0.497	20%	0.202	S	C	.	.			trans	-52.3	123	171.1	176.3	1.8	0	0	0	109.8	S130 R137	S130-N132 PolarHBondContact O-N 3.44Å; N132-R137 WeakPolarHBondContact O-CD 3.35Å; N132-R137 PolarHBondContact O-NE 2.82Å; N132-R137 VanDerWaalsContact O-NE 3.08Å; N132-R137 PolarHBondContact O-NH1 3.01Å; N132-R137 VanDerWaalsContact O-NH1 3.15Å
133	L	88.6	Confident	91.2	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.026	22%	0.218	C	C	.	.			trans	-112.9	126.2	-174.3	-175.8	67.7	0	0	0	110.8	I126 F131 V307 L312	I126-L133 HydrophobicContact CB-CD1 4Å; I126-L133 HydrophobicContact CB-CD2 4.13Å; I126-L133 HydrophobicContact CG2-CD1 4.05Å; F131-L133 HydrophobicContact CD1-CB 4.38Å; F131-L133 HydrophobicContact CD1-CD1 4.34Å; F131-L133 HydrophobicContact CE1-CD1 3.82Å; F131-L133 PolarHBondContact O-N 3.25Å; F131-L133 VanDerWaalsContact O-N 3.16Å; L133-V307 HydrophobicContact CB-CB 4.46Å; L133-V307 HydrophobicContact CD2-CB 3.78Å; L133-V307 HydrophobicContact CD2-CG1 3.5Å; L133-V307 HydrophobicContact CG-CB 3.81Å; L133-V307 HydrophobicContact CG-CG1 4.11Å; L133-V307 HydrophobicContact CG-CG2 4.28Å; L133-V307 PolarHBondContact O-N 3.05Å; L133-L312 HydrophobicContact CD2-CD2 3.45Å; L133-L312 VanDerWaalsContact CD2-CD2 3.45Å
134	N	89.8	Confident	91.4	Very high	20 Å²	20	43.4 Å²	43.4	11%	0.107	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-149.7	166.1	179.4	60.3	-14.4	0	0	0	110	S136 R137 C138 S304 G305	N134-S136 VanDerWaalsContact C-N 3.28Å; N134-S136 PolarHBondContact O-N 3.46Å; N134-R137 VanDerWaalsContact CG-NH1 3.27Å; N134-R137 PolarHBondContact ND2-NH1 3.47Å; N134-R137 WeakPolarHBondContact O-CB 3.49Å; N134-R137 PolarHBondContact O-N 3.16Å; N134-R137 WeakPolarHBondContact OD1-CB 3.45Å; N134-R137 VanDerWaalsContact OD1-CD 3.26Å; N134-R137 WeakPolarHBondContact OD1-CD 3.42Å; N134-R137 WeakPolarHBondContact OD1-CG 3.17Å; N134-R137 PolarHBondContact OD1-N 2.83Å; N134-R137 PolarHBondContact OD1-NH1 2.89Å; N134-C138 PolarHBondContact O-N 2.76Å; N134-C138 PolarHBondContact O-SG 3.29Å; N134-C138 VanDerWaalsContact O-SG 3.35Å; N134-S304 WeakPolarHBondContact CB-OG 3.33Å; N134-S304 PolarHBondContact ND2-OG 2.99Å; N134-G305 WeakPolarHBondContact CA-O 3.49Å
135	E	91.3	Very high	91.7	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.009	21%	0.205	C	C	.	.	H	α-helix	trans	-53.2	-41.7	-176.3	-163.9	-179.2	129.3	0	0	113.4	R137 C138 I139 L230 S264 W293 G305	E135-R137 PolarHBondContact O-N 3.26Å; E135-C138 WeakPolarHBondContact O-CA 3.34Å; E135-C138 WeakPolarHBondContact O-CB 3.44Å; E135-C138 PolarHBondContact O-N 3.15Å; E135-I139 PolarHBondContact O-N 2.67Å; E135-L230 HydrophobicContact CB-CD2 4.41Å; E135-L230 HydrophobicContact CG-CD2 3.96Å; E135-S264 VanDerWaalsContact OE1-CB 3.23Å; E135-S264 WeakPolarHBondContact OE1-CB 3.45Å; E135-S264 PolarHBondContact OE1-OG 2.92Å; E135-S264 WeakPolarHBondContact OE2-CB 3.3Å; E135-S264 PolarHBondContact OE2-N 2.7Å; E135-S264 PolarHBondContact OE2-OG 3.19Å; E135-W293 HydrophobicContact CG-CZ2 3.95Å; E135-W293 PolarHBondContact OE1-NE1 3.43Å; E135-G305 PolarHBondContact N-O 3.32Å
136	S	90.4	Very high	92.1	Very high	47 Å²	47	38.9 Å²	38.9	33%	0.329	20%	0.201	S	C	.	.	H	α-helix	trans	-60.4	-28.8	177.2	-177.1	0	0	0	0	114.1	N134	N134-S136 VanDerWaalsContact C-N 3.28Å; N134-S136 PolarHBondContact O-N 3.46Å
137	R	92.1	Very high	92.4	Very high	66 Å²	66	41.9 Å²	41.9	25%	0.249	22%	0.215	C	C	.	.	H	α-helix	trans	-81.6	-32.4	173.2	-72.8	176.7	179.3	105.4	-14.2	112	F131 N132 N134 E135 K140 F141 F175	F131-R137 HydrophobicContact CE1-CB 4.49Å; F131-R137 HydrophobicContact CZ-CB 4.41Å; N132-R137 WeakPolarHBondContact O-CD 3.35Å; N132-R137 PolarHBondContact O-NE 2.82Å; N132-R137 VanDerWaalsContact O-NE 3.08Å; N132-R137 PolarHBondContact O-NH1 3.01Å; N132-R137 VanDerWaalsContact O-NH1 3.15Å; N134-R137 VanDerWaalsContact CG-NH1 3.27Å; N134-R137 PolarHBondContact ND2-NH1 3.47Å; N134-R137 WeakPolarHBondContact O-CB 3.49Å; N134-R137 PolarHBondContact O-N 3.16Å; N134-R137 WeakPolarHBondContact OD1-CB 3.45Å; N134-R137 VanDerWaalsContact OD1-CD 3.26Å; N134-R137 WeakPolarHBondContact OD1-CD 3.42Å; N134-R137 WeakPolarHBondContact OD1-CG 3.17Å; N134-R137 PolarHBondContact OD1-N 2.83Å; N134-R137 PolarHBondContact OD1-NH1 2.89Å; E135-R137 PolarHBondContact O-N 3.26Å; R137-K140 PolarHBondContact O-N 3.12Å; R137-F141 VanDerWaalsContact O-CD2 3.29Å; R137-F141 WeakPolarHBondContact O-CD2 3.4Å; R137-F141 PolarHBondContact O-N 3.31Å; R137-F175 HydrophobicContact CB-CE1 3.81Å; R137-F175 HydrophobicContact CB-CZ 4.39Å; R137-F175 HydrophobicContact CG-CE1 3.66Å; R137-F175 HydrophobicContact CG-CZ 3.73Å
138	C	93.9	Very high	92.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.7	-43.1	173	-55.5	0	0	0	0	110.9	N134 E135 K140 F141 M142 M229 L230 W293	N134-C138 PolarHBondContact O-N 2.76Å; N134-C138 PolarHBondContact O-SG 3.29Å; N134-C138 VanDerWaalsContact O-SG 3.35Å; E135-C138 WeakPolarHBondContact O-CA 3.34Å; E135-C138 WeakPolarHBondContact O-CB 3.44Å; E135-C138 PolarHBondContact O-N 3.15Å; C138-K140 VanDerWaalsContact C-N 3.31Å; C138-K140 PolarHBondContact O-N 3.2Å; C138-F141 PolarHBondContact O-N 2.87Å; C138-M142 WeakPolarHBondContact O-CB 3.46Å; C138-M142 WeakPolarHBondContact O-CG 3.15Å; C138-M142 PolarHBondContact O-N 3.13Å; C138-M229 HydrophobicContact CB-CG 4.29Å; C138-M229 HydrophobicContact CB-SD 3.78Å; C138-L230 HydrophobicContact CB-CD2 3.76Å; C138-L230 HydrophobicContact CB-CG 4.44Å; C138-W293 HydrophobicContact CB-CH2 4.34Å; C138-W293 HydrophobicContact CB-CZ2 4.36Å
139	I	94.8	Very high	93.2	Very high	22 Å²	22	37.6 Å²	37.6	11%	0.113	19%	0.193	C	C	.	.	H	α-helix	trans	-52.8	-46.9	172.6	-70.1	165.3	0	0	0	111.2	E135 F141 M142 H143 W293 L294	E135-I139 PolarHBondContact O-N 2.67Å; I139-F141 PolarHBondContact O-N 3.29Å; I139-M142 PolarHBondContact O-N 3.23Å; I139-H143 WeakPolarHBondContact O-CB 3.45Å; I139-H143 PolarHBondContact O-N 3.11Å; I139-W293 HydrophobicContact CD1-CZ2 4.43Å; I139-W293 VanDerWaalsContact CD1-O 3.27Å; I139-W293 WeakPolarHBondContact CD1-O 3.37Å; I139-W293 HydrophobicContact CG1-CD2 3.93Å; I139-W293 HydrophobicContact CG1-CG 4.38Å; I139-W293 HydrophobicContact CG1-CH2 4.15Å; I139-W293 HydrophobicContact CG1-CZ2 3.53Å; I139-L294 HydrophobicContact CG2-CG 4.39Å
140	K	94.3	Very high	93.8	Very high	99 Å²	99	33.3 Å²	33.3	43%	0.43	17%	0.172	S	C	.	.	H	α-helix	trans	-62.4	-44.5	-179.2	-69.3	-179.9	-177.1	-171.8	0	112.7	R137 C138 E144 F175	R137-K140 PolarHBondContact O-N 3.12Å; C138-K140 VanDerWaalsContact C-N 3.31Å; C138-K140 PolarHBondContact O-N 3.2Å; K140-E144 VanDerWaalsContact O-CG 3.26Å; K140-E144 WeakPolarHBondContact O-CG 3.22Å; K140-E144 PolarHBondContact O-N 3.08Å; K140-F175 HydrophobicContact CB-CB 4Å; K140-F175 HydrophobicContact CB-CD1 3.57Å; K140-F175 HydrophobicContact CB-CE1 4.29Å; K140-F175 HydrophobicContact CB-CG 3.81Å; K140-F175 HydrophobicContact CD-CB 4.47Å; K140-F175 HydrophobicContact CD-CD1 3.84Å; K140-F175 HydrophobicContact CD-CD2 3.76Å; K140-F175 HydrophobicContact CD-CE1 4.03Å; K140-F175 HydrophobicContact CD-CE2 3.96Å; K140-F175 HydrophobicContact CD-CG 3.71Å; K140-F175 HydrophobicContact CD-CZ 4.1Å; K140-F175 HydrophobicContact CG-CD1 4.35Å; K140-F175 HydrophobicContact CG-CG 4.39Å
141	F	95.7	Very high	94.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66.8	-44.1	175.7	-68.5	-55.6	0	0	0	111.9	L122 I126 F131 R137 C138 I139 H143 E144 I145 F175 T177 M229	L122-F141 HydrophobicContact CD1-CB 4.32Å; L122-F141 HydrophobicContact CD1-CD1 3.54Å; L122-F141 HydrophobicContact CD1-CD2 3.86Å; L122-F141 HydrophobicContact CD1-CE1 3.62Å; L122-F141 HydrophobicContact CD1-CE2 3.93Å; L122-F141 HydrophobicContact CD1-CG 3.66Å; L122-F141 HydrophobicContact CD1-CZ 3.82Å; L122-F141 HydrophobicContact CD2-CB 4.44Å; I126-F141 HydrophobicContact CG2-CD2 4.17Å; I126-F141 HydrophobicContact CG2-CE2 3.61Å; I126-F141 HydrophobicContact CG2-CZ 4.3Å; F131-F141 AromaticContact CE1-CE2 3.96Å; F131-F141 HydrophobicContact CE1-CE2 3.96Å; F131-F141 HydrophobicContact CE1-CZ 4.45Å; F131-F141 HydrophobicContact CE2-CE2 4.44Å; F131-F141 HydrophobicContact CE2-CZ 4.16Å; F131-F141 AromaticContact CZ-CE2 3.52Å; F131-F141 HydrophobicContact CZ-CE2 3.52Å; F131-F141 AromaticContact CZ-CZ 3.68Å; F131-F141 HydrophobicContact CZ-CZ 3.68Å; R137-F141 VanDerWaalsContact O-CD2 3.29Å; R137-F141 WeakPolarHBondContact O-CD2 3.4Å; R137-F141 PolarHBondContact O-N 3.31Å; C138-F141 PolarHBondContact O-N 2.87Å; I139-F141 PolarHBondContact O-N 3.29Å; F141-H143 VanDerWaalsContact C-N 3.34Å; F141-H143 PolarHBondContact O-N 3Å; F141-E144 PolarHBondContact O-N 3.5Å; F141-I145 WeakPolarHBondContact O-CD1 3.29Å; F141-I145 VanDerWaalsContact O-CG1 3.23Å; F141-I145 WeakPolarHBondContact O-CG1 3.2Å; F141-I145 PolarHBondContact O-N 2.97Å; F141-F175 HydrophobicContact CD1-CD1 4.22Å; F141-F175 WeakPolarHBondContact CD1-O 3.45Å; F141-F175 HydrophobicContact CD2-CD1 4.4Å; F141-F175 HydrophobicContact CE1-CB 4.46Å; F141-F175 AromaticContact CE1-CD1 3.89Å; F141-F175 HydrophobicContact CE1-CD1 3.89Å; F141-F175 HydrophobicContact CE2-CD1 4.08Å; F141-F175 HydrophobicContact CE2-CE1 4.15Å; F141-F175 HydrophobicContact CG-CD1 4.47Å; F141-F175 AromaticContact CZ-CD1 3.83Å; F141-F175 HydrophobicContact CZ-CD1 3.83Å; F141-F175 HydrophobicContact CZ-CE1 4.12Å; F141-T177 HydrophobicContact CD1-CG2 3.85Å; F141-T177 HydrophobicContact CE1-CG2 4.32Å; F141-M229 HydrophobicContact CB-CE 4.33Å; F141-M229 HydrophobicContact CB-SD 4.18Å
142	M	97.5	Very high	94.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.2	-40.2	178	-72.9	-56.8	-53.3	0	0	112.3	C138 I139 I145 L146 L222 I225 C226 M229 F270 W293	C138-M142 WeakPolarHBondContact O-CB 3.46Å; C138-M142 WeakPolarHBondContact O-CG 3.15Å; C138-M142 PolarHBondContact O-N 3.13Å; I139-M142 PolarHBondContact O-N 3.23Å; M142-I145 PolarHBondContact O-N 3.45Å; M142-I145 HydrophobicContact SD-CD1 4.36Å; M142-L146 VanDerWaalsContact O-CB 3.24Å; M142-L146 WeakPolarHBondContact O-CB 3.49Å; M142-L146 WeakPolarHBondContact O-CD1 3.24Å; M142-L146 VanDerWaalsContact O-CG 3.23Å; M142-L146 WeakPolarHBondContact O-CG 3.44Å; M142-L146 PolarHBondContact O-N 2.84Å; M142-L222 HydrophobicContact CE-CB 4.41Å; M142-I225 HydrophobicContact SD-CG2 4.41Å; M142-C226 HydrophobicContact CE-CB 4.03Å; M142-C226 HydrophobicContact SD-CB 4Å; M142-M229 HydrophobicContact CG-CE 4.12Å; M142-M229 HydrophobicContact CG-SD 4.35Å; M142-M229 HydrophobicContact SD-CE 3.61Å; M142-F270 HydrophobicContact CE-CE1 4.22Å; M142-F270 HydrophobicContact CE-CZ 4.42Å; M142-W293 HydrophobicContact CB-CZ3 4.28Å; M142-W293 HydrophobicContact CG-CH2 4.08Å; M142-W293 HydrophobicContact CG-CZ3 4.01Å
143	H	96.5	Very high	95.4	Very high	69 Å²	69	26.5 Å²	26.5	32%	0.319	12%	0.124	S	C	.	.	H	α-helix	trans	-60	-47.8	175.3	-171	-68.5	0	0	0	111.9	I139 F141 I145 L146 Q147 L294	I139-H143 WeakPolarHBondContact O-CB 3.45Å; I139-H143 PolarHBondContact O-N 3.11Å; F141-H143 VanDerWaalsContact C-N 3.34Å; F141-H143 PolarHBondContact O-N 3Å; H143-I145 VanDerWaalsContact C-N 3.35Å; H143-I145 PolarHBondContact O-N 2.87Å; H143-L146 PolarHBondContact O-N 3.36Å; H143-Q147 PolarHBondContact CE1-OE1 2.84Å; H143-Q147 VanDerWaalsContact CE1-OE1 3.3Å; H143-Q147 PolarHBondContact ND1-OE1 3.35Å; H143-Q147 WeakPolarHBondContact O-CG 3.29Å; H143-Q147 PolarHBondContact O-N 2.85Å; H143-L294 HydrophobicContact CB-CD2 4.04Å
144	E	96.1	Very high	95.9	Very high	20 Å²	20	29.7 Å²	29.7	9%	0.093	15%	0.147	C	C	.	.	H	α-helix	trans	-65.6	-36	-179.9	-68.4	-90.1	156.9	0	0	112.3	R96 K140 F141 K176	R96-E144 WeakPolarHBondContact CD-O 3.4Å; R96-E144 WeakPolarHBondContact CD-OE2 3.29Å; R96-E144 VanDerWaalsContact CG-O 3.25Å; R96-E144 WeakPolarHBondContact CG-O 3.35Å; R96-E144 IonicContact CZ-OE2 3.2Å; R96-E144 IonicContact NE-OE2 2.62Å; R96-E144 IonicContact NH1-OE2 2.69Å; R96-E144 PolarHBondContact NH1-OE2 2.87Å; K140-E144 VanDerWaalsContact O-CG 3.26Å; K140-E144 WeakPolarHBondContact O-CG 3.22Å; K140-E144 PolarHBondContact O-N 3.08Å; F141-E144 PolarHBondContact O-N 3.5Å; E144-K176 VanDerWaalsContact CD-CD 3.46Å; E144-K176 VanDerWaalsContact OE1-CD 3.25Å; E144-K176 WeakPolarHBondContact OE1-CD 3.5Å; E144-K176 WeakPolarHBondContact OE1-CE 3.43Å; E144-K176 IonicContact OE1-NZ 2.69Å; E144-K176 PolarHBondContact OE1-NZ 2.64Å; E144-K176 WeakPolarHBondContact OE2-CD 3.45Å; E144-K176 IonicContact OE2-NZ 3.47Å
145	I	98.1	Very high	96.2	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-68.4	-47.5	172.9	-63.8	158.7	0	0	0	110.5	L122 F141 M142 H143 Q147 G148 V149 I167 I179 L222 M229	L122-I145 HydrophobicContact CD2-CD1 3.88Å; F141-I145 WeakPolarHBondContact O-CD1 3.29Å; F141-I145 VanDerWaalsContact O-CG1 3.23Å; F141-I145 WeakPolarHBondContact O-CG1 3.2Å; F141-I145 PolarHBondContact O-N 2.97Å; M142-I145 PolarHBondContact O-N 3.45Å; M142-I145 HydrophobicContact SD-CD1 4.36Å; H143-I145 VanDerWaalsContact C-N 3.35Å; H143-I145 PolarHBondContact O-N 2.87Å; I145-Q147 PolarHBondContact O-N 2.8Å; I145-G148 WeakPolarHBondContact O-CA 3.28Å; I145-G148 PolarHBondContact O-N 2.91Å; I145-V149 PolarHBondContact O-N 2.69Å; I145-I167 HydrophobicContact CD1-CD1 3.96Å; I145-I167 HydrophobicContact CD1-CG2 4.25Å; I145-I167 HydrophobicContact CG1-CD1 4.23Å; I145-I167 HydrophobicContact CG1-CG2 4.08Å; I145-I167 HydrophobicContact CG2-CD1 4.26Å; I145-I179 HydrophobicContact CG2-CD1 4.43Å; I145-L222 HydrophobicContact CG2-CD2 3.51Å; I145-M229 HydrophobicContact CD1-CE 4.36Å
146	L	98.4	Very high	96.4	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.8	-38.6	-177.9	-81.5	163.9	0	0	0	112.7	M142 H143 G148 V149 E150 M219 L222 F270 A285 C288 L289 L294	M142-L146 VanDerWaalsContact O-CB 3.24Å; M142-L146 WeakPolarHBondContact O-CB 3.49Å; M142-L146 WeakPolarHBondContact O-CD1 3.24Å; M142-L146 VanDerWaalsContact O-CG 3.23Å; M142-L146 WeakPolarHBondContact O-CG 3.44Å; M142-L146 PolarHBondContact O-N 2.84Å; H143-L146 PolarHBondContact O-N 3.36Å; L146-G148 PolarHBondContact O-N 3.25Å; L146-V149 PolarHBondContact O-N 3.3Å; L146-E150 VanDerWaalsContact O-CB 3.3Å; L146-E150 WeakPolarHBondContact O-CB 3.46Å; L146-E150 PolarHBondContact O-N 3.2Å; L146-M219 HydrophobicContact CD2-CE 3.92Å; L146-L222 HydrophobicContact CD2-CD1 3.55Å; L146-L222 HydrophobicContact CG-CD1 4.28Å; L146-F270 HydrophobicContact CD1-CE2 4.47Å; L146-F270 HydrophobicContact CD1-CZ 4.09Å; L146-A285 HydrophobicContact CD2-CB 4.17Å; L146-C288 HydrophobicContact CD1-CB 3.73Å; L146-C288 HydrophobicContact CD2-CB 3.52Å; L146-C288 HydrophobicContact CG-CB 4.28Å; L146-L289 HydrophobicContact CB-CD1 4.31Å; L146-L289 HydrophobicContact CB-CD2 3.74Å; L146-L289 HydrophobicContact CB-CG 3.88Å; L146-L289 HydrophobicContact CD1-CD2 4.33Å; L146-L289 HydrophobicContact CD1-CG 4.49Å; L146-L294 HydrophobicContact CD1-CD1 4.5Å; L146-L294 HydrophobicContact CD1-CD2 3.49Å; L146-L294 VanDerWaalsContact CD1-CD2 3.49Å
147	Q	97.5	Very high	96.8	Very high	62 Å²	62	34.8 Å²	34.8	29%	0.29	17%	0.168	S	C	.	.	H	α-helix	trans	-60.1	-35.3	172.3	-72.5	176.2	-73.3	0	0	111.7	H94 R96 H143 I145 Y151 L289	H94-Q147 VanDerWaalsContact CE1-C 3.46Å; H94-Q147 PolarHBondContact CE1-O 2.87Å; R96-Q147 HydrophobicContact CG-CB 4.21Å; H143-Q147 PolarHBondContact CE1-OE1 2.84Å; H143-Q147 VanDerWaalsContact CE1-OE1 3.3Å; H143-Q147 PolarHBondContact ND1-OE1 3.35Å; H143-Q147 WeakPolarHBondContact O-CG 3.29Å; H143-Q147 PolarHBondContact O-N 2.85Å; I145-Q147 PolarHBondContact O-N 2.8Å; Q147-Y151 WeakPolarHBondContact O-CB 3.3Å; Q147-Y151 PolarHBondContact O-N 3.39Å; Q147-L289 HydrophobicContact CG-CD1 4.2Å; Q147-L289 HydrophobicContact CG-CD2 4.22Å
148	G	98	Very high	96.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.3	-48.6	172.3	0	0	0	0	0	112.6	I145 L146 M152	I145-G148 WeakPolarHBondContact O-CA 3.28Å; I145-G148 PolarHBondContact O-N 2.91Å; L146-G148 PolarHBondContact O-N 3.25Å; G148-M152 VanDerWaalsContact O-CB 3.29Å; G148-M152 WeakPolarHBondContact O-CB 3.43Å; G148-M152 PolarHBondContact O-N 2.95Å
149	V	98.6	Very high	97	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-70.4	-39.2	-178.1	178.9	0	0	0	0	112.1	I145 L146 M152 H153 L162 I179 D218 M219 L222 A285	I145-V149 PolarHBondContact O-N 2.69Å; L146-V149 PolarHBondContact O-N 3.3Å; V149-M152 HydrophobicContact CG1-CE 4.23Å; V149-M152 PolarHBondContact O-N 3.43Å; V149-H153 WeakPolarHBondContact CG1-CE1 3.36Å; V149-H153 WeakPolarHBondContact CG1-NE2 3.27Å; V149-H153 WeakPolarHBondContact O-CB 3.09Å; V149-H153 PolarHBondContact O-CD2 3.37Å; V149-H153 PolarHBondContact O-N 3.35Å; V149-L162 HydrophobicContact CG2-CD1 3.87Å; V149-I179 HydrophobicContact CG2-CD1 3.67Å; V149-D218 HydrophobicContact CG1-CB 4.43Å; V149-M219 HydrophobicContact CG1-SD 3.96Å; V149-L222 HydrophobicContact CB-CD1 4.29Å; V149-L222 HydrophobicContact CG1-CD1 4.29Å; V149-L222 HydrophobicContact CG2-CD1 4.07Å; V149-A285 HydrophobicContact CB-CB 4.43Å; V149-A285 HydrophobicContact CG1-CB 4.22Å
150	E	98.5	Very high	97	Very high	61 Å²	61	31.4 Å²	31.4	29%	0.285	16%	0.155	S	C	.	.	H	α-helix	trans	-57.7	-52.2	173.3	176.9	176	-117.1	0	0	111.5	L146 M152 H153 S154 A285 T286 L289	L146-E150 VanDerWaalsContact O-CB 3.3Å; L146-E150 WeakPolarHBondContact O-CB 3.46Å; L146-E150 PolarHBondContact O-N 3.2Å; E150-M152 PolarHBondContact O-N 3.37Å; E150-H153 PolarHBondContact O-N 2.75Å; E150-S154 WeakPolarHBondContact O-CB 3.49Å; E150-S154 PolarHBondContact O-N 3.3Å; E150-A285 HydrophobicContact CB-CB 3.74Å; E150-T286 WeakPolarHBondContact OE1-CA 3.5Å; E150-T286 VanDerWaalsContact OE1-CB 3.24Å; E150-T286 WeakPolarHBondContact OE1-CB 3.36Å; E150-T286 WeakPolarHBondContact OE1-CG2 3.44Å; E150-T286 PolarHBondContact OE1-OG1 3.13Å; E150-L289 HydrophobicContact CB-CD1 4.22Å; E150-L289 WeakPolarHBondContact OE2-CD1 3.38Å
151	Y	98.3	Very high	96.9	Very high	54 Å²	54	27.3 Å²	27.3	21%	0.212	14%	0.137	C	C	.	.	H	α-helix	trans	-59.1	-47.9	176.5	175.7	-83.2	0	0	0	110.9	T91 L92 R93 H94 L97 Q147 H153 S154 Q155	T91-Y151 PolarHBondContact O-OH 3.27Å; L92-Y151 HydrophobicContact CD2-CD1 4.47Å; L92-Y151 HydrophobicContact CD2-CE1 4.17Å; R93-Y151 PolarHBondContact N-OH 3.19Å; H94-Y151 HydrophobicContact CB-CD1 3.45Å; H94-Y151 VanDerWaalsContact CB-CD1 3.45Å; H94-Y151 HydrophobicContact CB-CD2 4.04Å; H94-Y151 HydrophobicContact CB-CE1 3.79Å; H94-Y151 HydrophobicContact CB-CE2 4.3Å; H94-Y151 HydrophobicContact CB-CG 3.61Å; H94-Y151 AromaticContact CD2-CD2 3.89Å; H94-Y151 AromaticContact CD2-CG 3.85Å; H94-Y151 AromaticContact CG-CD1 3.97Å; H94-Y151 AromaticContact CG-CG 3.64Å; L97-Y151 HydrophobicContact CD1-CD1 3.79Å; L97-Y151 HydrophobicContact CD1-CE1 4.34Å; Q147-Y151 WeakPolarHBondContact O-CB 3.3Å; Q147-Y151 PolarHBondContact O-N 3.39Å; Y151-H153 PolarHBondContact O-N 2.62Å; Y151-S154 WeakPolarHBondContact O-CB 3.34Å; Y151-S154 PolarHBondContact O-N 2.81Å; Y151-S154 VanDerWaalsContact O-N 3.14Å; Y151-S154 PolarHBondContact O-OG 2.91Å; Y151-Q155 HydrophobicContact CD1-CG 4.19Å; Y151-Q155 HydrophobicContact CE1-CG 3.56Å; Y151-Q155 HydrophobicContact CE2-CG 4.46Å; Y151-Q155 WeakPolarHBondContact O-CG 3.35Å; Y151-Q155 PolarHBondContact O-N 2.8Å; Y151-Q155 VanDerWaalsContact O-N 3.13Å
152	M	98.1	Very high	96.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60	-43.4	-179.5	-177.7	-172.3	74.8	0	0	112.4	L92 L97 G148 V149 E150 Q155 V157 H159 F182 D218	L92-M152 HydrophobicContact CD1-CG 4.34Å; L92-M152 HydrophobicContact CD2-CB 4.19Å; L92-M152 HydrophobicContact CD2-CG 3.96Å; L97-M152 HydrophobicContact CD1-CB 4.12Å; G148-M152 VanDerWaalsContact O-CB 3.29Å; G148-M152 WeakPolarHBondContact O-CB 3.43Å; G148-M152 PolarHBondContact O-N 2.95Å; V149-M152 HydrophobicContact CG1-CE 4.23Å; V149-M152 PolarHBondContact O-N 3.43Å; E150-M152 PolarHBondContact O-N 3.37Å; M152-Q155 PolarHBondContact O-N 3.08Å; M152-V157 HydrophobicContact CG-CB 3.78Å; M152-V157 HydrophobicContact CG-CG1 3.78Å; M152-V157 PolarHBondContact O-N 3.19Å; M152-V157 HydrophobicContact SD-CG1 4.33Å; M152-H159 HydrophobicContact CE-CB 3.7Å; M152-H159 HydrophobicContact SD-CB 3.81Å; M152-F182 HydrophobicContact SD-CE1 3.94Å; M152-D218 WeakPolarHBondContact CE-OD2 3.19Å
153	H	97.9	Very high	96.6	Very high	29 Å²	29	28.8 Å²	28.8	13%	0.134	14%	0.144	C	C	.	.	H	α-helix	trans	-66.1	-36.3	175.7	-70	-175.4	0	0	0	111.5	V149 E150 Y151 Q155 N156 V157 P215 D218	V149-H153 WeakPolarHBondContact CG1-CE1 3.36Å; V149-H153 WeakPolarHBondContact CG1-NE2 3.27Å; V149-H153 WeakPolarHBondContact O-CB 3.09Å; V149-H153 PolarHBondContact O-CD2 3.37Å; V149-H153 PolarHBondContact O-N 3.35Å; E150-H153 PolarHBondContact O-N 2.75Å; Y151-H153 PolarHBondContact O-N 2.62Å; H153-Q155 PolarHBondContact O-N 2.84Å; H153-N156 WeakPolarHBondContact O-CA 3.33Å; H153-N156 PolarHBondContact O-N 2.62Å; H153-V157 PolarHBondContact CD2-O 2.81Å; H153-V157 VanDerWaalsContact CD2-O 3.29Å; H153-P215 PolarHBondContact CE1-O 2.86Å; H153-P215 VanDerWaalsContact CE1-O 3.26Å; H153-D218 IonicContact CD2-OD2 3.45Å; H153-D218 IonicContact CE1-OD2 2.76Å; H153-D218 IonicContact NE2-OD2 3.58Å; H153-D218 PolarHBondContact NE2-OD2 3.16Å
154	S	97.3	Very high	96.4	Very high	72 Å²	72	25.6 Å²	25.6	50%	0.503	13%	0.129	S	C	.	.	H	α-helix	trans	-64.8	-24.2	173.6	82.3	0	0	0	0	113.9	E150 Y151 N156	E150-S154 WeakPolarHBondContact O-CB 3.49Å; E150-S154 PolarHBondContact O-N 3.3Å; Y151-S154 WeakPolarHBondContact O-CB 3.34Å; Y151-S154 PolarHBondContact O-N 2.81Å; Y151-S154 VanDerWaalsContact O-N 3.14Å; Y151-S154 PolarHBondContact O-OG 2.91Å; S154-N156 PolarHBondContact O-N 2.8Å
155	Q	97.2	Very high	96.1	Very high	74 Å²	74	25.6 Å²	25.6	35%	0.346	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	12.8	172.3	-57.4	-50.6	-78.1	0	0	112.4	L92 Y151 M152 H153 V157	L92-Q155 HydrophobicContact CD2-CB 4.22Å; L92-Q155 HydrophobicContact CD2-CG 4.35Å; Y151-Q155 HydrophobicContact CD1-CG 4.19Å; Y151-Q155 HydrophobicContact CE1-CG 3.56Å; Y151-Q155 HydrophobicContact CE2-CG 4.46Å; Y151-Q155 WeakPolarHBondContact O-CG 3.35Å; Y151-Q155 PolarHBondContact O-N 2.8Å; Y151-Q155 VanDerWaalsContact O-N 3.13Å; M152-Q155 PolarHBondContact O-N 3.08Å; H153-Q155 PolarHBondContact O-N 2.84Å; Q155-V157 VanDerWaalsContact C-N 3.27Å; Q155-V157 PolarHBondContact O-N 3.09Å
156	N	96.2	Very high	95.9	Very high	101 Å²	101	26.1 Å²	26.1	54%	0.54	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	38.5	-173.3	-61.5	-55.6	0	0	0	113.2	H153 S154 F187 Y188	H153-N156 WeakPolarHBondContact O-CA 3.33Å; H153-N156 PolarHBondContact O-N 2.62Å; S154-N156 PolarHBondContact O-N 2.8Å; N156-F187 CarbonylContact O-C 3.52Å; N156-F187 VanDerWaalsContact O-CA 3.32Å; N156-F187 WeakPolarHBondContact O-CA 3.45Å; N156-Y188 PolarHBondContact O-N 3.18Å
157	V	97	Very high	95.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	138.3	174.3	175.4	0	0	0	0	110.5	V88 L92 M152 H153 Q155 A185 R186 F187	V88-V157 HydrophobicContact CG1-CG1 3.67Å; V88-V157 HydrophobicContact CG1-CG2 4.19Å; L92-V157 HydrophobicContact CD1-CG1 4.3Å; L92-V157 HydrophobicContact CD2-CB 4.29Å; L92-V157 HydrophobicContact CD2-CG2 4.17Å; M152-V157 HydrophobicContact CG-CB 3.78Å; M152-V157 HydrophobicContact CG-CG1 3.78Å; M152-V157 PolarHBondContact O-N 3.19Å; M152-V157 HydrophobicContact SD-CG1 4.33Å; H153-V157 PolarHBondContact CD2-O 2.81Å; H153-V157 VanDerWaalsContact CD2-O 3.29Å; Q155-V157 VanDerWaalsContact C-N 3.27Å; Q155-V157 PolarHBondContact O-N 3.09Å; V157-A185 HydrophobicContact CG1-CB 4.24Å; V157-R186 WeakPolarHBondContact CA-O 3.32Å; V157-F187 HydrophobicContact CG2-CD1 3.78Å; V157-F187 HydrophobicContact CG2-CE1 3.8Å
158	I	95.9	Very high	95.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	138.6	170.3	-52.5	168.3	0	0	0	108.5	L160 A185 R186 Y188 P215 D218	I158-L160 HydrophobicContact CB-CD2 4.43Å; I158-L160 HydrophobicContact CB-CG 4.4Å; I158-L160 HydrophobicContact CG2-CD2 3.52Å; I158-L160 HydrophobicContact CG2-CG 3.82Å; I158-A185 WeakPolarHBondContact O-CA 3.48Å; I158-A185 WeakPolarHBondContact O-CB 3.42Å; I158-R186 PolarHBondContact N-O 2.79Å; I158-R186 PolarHBondContact O-N 3.49Å; I158-R186 VanDerWaalsContact O-N 3.13Å; I158-Y188 HydrophobicContact CD1-CD1 4.47Å; I158-Y188 HydrophobicContact CD1-CD2 3.45Å; I158-Y188 VanDerWaalsContact CD1-CD2 3.45Å; I158-Y188 HydrophobicContact CD1-CE2 4.15Å; I158-Y188 HydrophobicContact CD1-CG 3.64Å; I158-Y188 HydrophobicContact CG1-CG 4.33Å; I158-P215 HydrophobicContact CD1-CG 4.01Å; I158-P215 HydrophobicContact CG1-CB 4.26Å; I158-P215 HydrophobicContact CG1-CG 3.91Å; I158-D218 VanDerWaalsContact CG2-OD2 3.3Å; I158-D218 WeakPolarHBondContact CG2-OD2 3.39Å
159	H	95.7	Very high	95.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.			trans	-86.1	-37.5	-176	-170.4	-69.6	0	0	0	113.6	M152 D161 L162 I179 D181 F182 D218	M152-H159 HydrophobicContact CE-CB 3.7Å; M152-H159 HydrophobicContact SD-CB 3.81Å; H159-D161 PolarHBondContact CE1-O 3.27Å; H159-D161 VanDerWaalsContact ND1-C 3.29Å; H159-D161 PolarHBondContact ND1-N 2.98Å; H159-D161 PolarHBondContact O-N 3.11Å; H159-L162 HydrophobicContact CB-CD2 4.08Å; H159-L162 HydrophobicContact CB-CG 3.96Å; H159-L162 PolarHBondContact ND1-N 2.95Å; H159-I179 WeakPolarHBondContact CD2-CG2 3.35Å; H159-I179 WeakPolarHBondContact NE2-CG2 3.24Å; H159-D181 PolarHBondContact CE1-O 2.91Å; H159-D181 PolarHBondContact NE2-O 2.94Å; H159-F182 AromaticContact CD2-CE1 3.75Å; H159-D218 PolarHBondContact N-OD1 2.7Å; H159-D218 PolarHBondContact N-OD2 3.49Å
160	L	93.7	Very high	95.1	Very high	18 Å²	18	26 Å²	26	9%	0.094	13%	0.133	C	C	.	.	S	Bend	trans	63.4	-13.5	176.8	-57	173.6	0	0	0	117	I158 V195 V213 D218	I158-L160 HydrophobicContact CB-CD2 4.43Å; I158-L160 HydrophobicContact CB-CG 4.4Å; I158-L160 HydrophobicContact CG2-CD2 3.52Å; I158-L160 HydrophobicContact CG2-CG 3.82Å; L160-V195 HydrophobicContact CD1-CG2 4.32Å; L160-V213 HydrophobicContact CD2-CG1 3.58Å; L160-D218 PolarHBondContact N-OD1 2.82Å
161	D	93.1	Very high	94.6	Very high	12 Å²	12	24.9 Å²	24.9	6%	0.064	13%	0.132	C	C	.	.			trans	-129.9	40.8	178.7	-166	28.5	0	0	0	112.5	H159 K163 N166 L184	H159-D161 PolarHBondContact CE1-O 3.27Å; H159-D161 VanDerWaalsContact ND1-C 3.29Å; H159-D161 PolarHBondContact ND1-N 2.98Å; H159-D161 PolarHBondContact O-N 3.11Å; D161-K163 PolarHBondContact O-N 3.46Å; D161-K163 IonicContact OD1-NZ 3.99Å; D161-K163 PolarHBondContact OD1-NZ 3.39Å; D161-K163 IonicContact OD2-NZ 3.81Å; D161-K163 PolarHBondContact OD2-NZ 3.32Å; D161-N166 PolarHBondContact O-ND2 3.41Å; D161-N166 PolarHBondContact OD2-ND2 3.01Å; D161-L184 HydrophobicContact CB-CB 4.35Å; D161-L184 HydrophobicContact CB-CD1 3.74Å
162	L	95.6	Very high	94	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.01	15%	0.151	C	C	.	.			trans	-71.2	119.1	173.7	-73.3	-178.8	0	0	0	110.2	V149 H159 I179 D218 L222 I225	V149-L162 HydrophobicContact CG2-CD1 3.87Å; H159-L162 HydrophobicContact CB-CD2 4.08Å; H159-L162 HydrophobicContact CB-CG 3.96Å; H159-L162 PolarHBondContact ND1-N 2.95Å; L162-I179 HydrophobicContact CD2-CD1 4.1Å; L162-I179 HydrophobicContact CD2-CG1 4.37Å; L162-I179 HydrophobicContact CD2-CG2 3.89Å; L162-D218 HydrophobicContact CD1-CB 3.65Å; L162-L222 HydrophobicContact CD1-CD2 4.03Å; L162-L222 HydrophobicContact CD1-CG 4.17Å; L162-I225 HydrophobicContact CB-CD1 4.43Å
163	K	92	Very high	93.3	Very high	30 Å²	30	31.6 Å²	31.6	13%	0.13	19%	0.186	C	C	.	.			trans	-155.4	158.4	-178.7	62.2	-171.6	177.6	-137.6	0	110.6	D161 E165 N166 F202	D161-K163 PolarHBondContact O-N 3.46Å; D161-K163 IonicContact OD1-NZ 3.99Å; D161-K163 PolarHBondContact OD1-NZ 3.39Å; D161-K163 IonicContact OD2-NZ 3.81Å; D161-K163 PolarHBondContact OD2-NZ 3.32Å; K163-E165 WeakPolarHBondContact CD-OE2 3.37Å; K163-E165 VanDerWaalsContact CG-OE2 3.3Å; K163-E165 WeakPolarHBondContact CG-OE2 3.42Å; K163-E165 PolarHBondContact O-N 2.92Å; K163-N166 VanDerWaalsContact CE-CG 3.47Å; K163-N166 VanDerWaalsContact CE-ND2 3.35Å; K163-N166 WeakPolarHBondContact CE-ND2 3.29Å; K163-N166 WeakPolarHBondContact CE-OD1 3.35Å; K163-N166 HydrophobicContact CG-CB 4.06Å; K163-N166 PolarHBondContact O-N 2.78Å; K163-F202 HydrophobicContact CB-CD1 4.45Å; K163-F202 HydrophobicContact CB-CG 4.35Å
164	P	91.3	Very high	92.9	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-41.4	-37.6	177.4	-39.1	41.8	0	0	0	116.8	F123 F202 I225 F315	F123-P164 HydrophobicContact CB-CB 4.17Å; F123-P164 HydrophobicContact CD1-CB 4.19Å; F123-P164 HydrophobicContact CD1-CG 4.36Å; F123-P164 HydrophobicContact CD2-CB 3.51Å; F123-P164 HydrophobicContact CD2-CG 4.02Å; F123-P164 HydrophobicContact CE1-CG 4.22Å; F123-P164 HydrophobicContact CE2-CB 3.88Å; F123-P164 HydrophobicContact CE2-CG 3.88Å; F123-P164 HydrophobicContact CG-CB 3.68Å; F123-P164 HydrophobicContact CG-CG 4.26Å; F123-P164 HydrophobicContact CZ-CB 4.37Å; F123-P164 HydrophobicContact CZ-CG 3.98Å; P164-F202 VanDerWaalsContact CD-CE1 3.48Å; P164-F202 HydrophobicContact CG-CE1 4.07Å; P164-F202 HydrophobicContact CG-CZ 3.95Å; P164-I225 HydrophobicContact CG-CG1 4.43Å; P164-F315 HydrophobicContact CG-CE1 4.32Å
165	E	88.8	Confident	92.7	Very high	20 Å²	20	30.6 Å²	30.6	9%	0.093	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-88.2	-12.9	-174.3	-42.8	102.7	127	0	0	113.6	E121 K163 R319 K323	E121-E165 WeakPolarHBondContact OE2-CG 3.3Å; K163-E165 WeakPolarHBondContact CD-OE2 3.37Å; K163-E165 VanDerWaalsContact CG-OE2 3.3Å; K163-E165 WeakPolarHBondContact CG-OE2 3.42Å; K163-E165 PolarHBondContact O-N 2.92Å; E165-R319 VanDerWaalsContact CD-NE 3.33Å; E165-R319 IonicContact OE1-CZ 3.8Å; E165-R319 IonicContact OE1-NE 3.39Å; E165-R319 PolarHBondContact OE1-NE 3.3Å; E165-R319 IonicContact OE1-NH2 3.74Å; E165-R319 PolarHBondContact OE1-NH2 3.32Å; E165-R319 IonicContact OE2-CZ 2.81Å; E165-R319 IonicContact OE2-NE 2.88Å; E165-R319 IonicContact OE2-NH1 2.7Å; E165-R319 IonicContact OE2-NH2 3.73Å; E165-R319 PolarHBondContact OE2-NH2 2.87Å; E165-K323 WeakPolarHBondContact OE1-CE 3.47Å
166	N	94.1	Very high	92.5	Very high	12 Å²	12	29.8 Å²	29.8	6%	0.064	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-90.7	12	173	-71.9	5.6	0	0	0	111.5	D161 K163 I179 I180	D161-N166 PolarHBondContact O-ND2 3.41Å; D161-N166 PolarHBondContact OD2-ND2 3.01Å; K163-N166 VanDerWaalsContact CE-CG 3.47Å; K163-N166 VanDerWaalsContact CE-ND2 3.35Å; K163-N166 WeakPolarHBondContact CE-ND2 3.29Å; K163-N166 WeakPolarHBondContact CE-OD1 3.35Å; K163-N166 HydrophobicContact CG-CB 4.06Å; K163-N166 PolarHBondContact O-N 2.78Å; N166-I179 WeakPolarHBondContact O-CA 3.39Å; N166-I180 WeakPolarHBondContact O-CG1 3.44Å; N166-I180 PolarHBondContact O-N 2.68Å
167	I	96.1	Very high	92.5	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	110.3	178.7	-55.8	173.4	0	0	0	109.1	L122 I145 T177 K178 I225	L122-I167 HydrophobicContact CB-CB 4.43Å; L122-I167 HydrophobicContact CB-CG2 4.06Å; L122-I167 WeakPolarHBondContact CB-O 3.48Å; L122-I167 HydrophobicContact CD2-CG2 3.85Å; L122-I167 PolarHBondContact N-O 3.3Å; I145-I167 HydrophobicContact CD1-CD1 3.96Å; I145-I167 HydrophobicContact CD1-CG2 4.25Å; I145-I167 HydrophobicContact CG1-CD1 4.23Å; I145-I167 HydrophobicContact CG1-CG2 4.08Å; I145-I167 HydrophobicContact CG2-CD1 4.26Å; I167-T177 HydrophobicContact CG2-CG2 4.22Å; I167-K178 WeakPolarHBondContact CA-O 3.44Å; I167-I225 HydrophobicContact CD1-CD1 3.98Å
168	L	94.9	Very high	92.5	Very high	30 Å²	30	25.1 Å²	25.1	16%	0.157	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	150.9	177.5	-58.9	-169.7	0	0	0	111.6	I117 G120 E121 T177 K178 I180	I117-L168 HydrophobicContact CB-CD1 3.98Å; I117-L168 HydrophobicContact CD1-CD1 4.45Å; I117-L168 HydrophobicContact CG2-CB 3.78Å; I117-L168 HydrophobicContact CG2-CD1 4.01Å; G120-L168 CarbonylContact O-C 3.51Å; G120-L168 WeakPolarHBondContact O-CA 3.42Å; E121-L168 HydrophobicContact CB-CD2 4.4Å; E121-L168 HydrophobicContact CG-CD2 4.04Å; L168-T177 CarbonylContact O-C 3.59Å; L168-T177 WeakPolarHBondContact O-CA 3.39Å; L168-T177 WeakPolarHBondContact O-CB 3.23Å; L168-K178 PolarHBondContact N-O 3.38Å; L168-K178 PolarHBondContact O-N 3.25Å; L168-I180 HydrophobicContact CB-CG2 4.16Å; L168-I180 HydrophobicContact CD1-CD1 3.92Å; L168-I180 HydrophobicContact CD1-CG2 4.09Å; L168-I180 HydrophobicContact CD2-CD1 4.23Å; L168-I180 HydrophobicContact CG-CD1 3.83Å; L168-I180 HydrophobicContact CG-CG1 4.11Å; L168-I180 HydrophobicContact CG-CG2 3.84Å
169	C	94.3	Very high	92.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	142.8	166.6	-67.1	0	0	0	0	110.7	I117 G119 G120 R125 K176	I117-C169 WeakPolarHBondContact CG2-O 3.4Å; G119-C169 CarbonylContact C-O 3.54Å; G119-C169 WeakPolarHBondContact CA-O 3.42Å; G119-C169 PolarHBondContact N-O 3.42Å; G120-C169 PolarHBondContact O-N 3.42Å; R125-C169 PolarHBondContact NH1-SG 2.64Å; C169-K176 WeakPolarHBondContact CA-O 3.34Å
170	L	91.8	Very high	92.5	Very high	29 Å²	29	27 Å²	27	15%	0.152	16%	0.157	C	C	.	.	S	Bend	trans	-68.2	-38.3	174.6	-80.2	72.5	0	0	0	111.3	D18 K176 T177 K178	D18-L170 HydrophobicContact CB-CD2 3.62Å; D18-L170 VanDerWaalsContact O-CD2 3.27Å; D18-L170 WeakPolarHBondContact O-CD2 3.34Å; L170-K176 HydrophobicContact CB-CB 4.14Å; L170-K176 HydrophobicContact CD1-CB 3.96Å; L170-K176 WeakPolarHBondContact CD1-O 3.38Å; L170-K176 HydrophobicContact CD2-CB 4.14Å; L170-K176 HydrophobicContact CG-CB 4.32Å; L170-K176 PolarHBondContact N-O 2.66Å; L170-T177 VanDerWaalsContact CD1-C 3.49Å; L170-K178 HydrophobicContact CD1-CG 3.54Å; L170-K178 HydrophobicContact CG-CG 4.37Å
171	S	88.2	Confident	92.4	Very high	38 Å²	38	27.3 Å²	27.3	27%	0.266	16%	0.159	S	C	.	.	S	Bend	trans	-145.6	164.4	174.9	75	0	0	0	0	111.9	R125 T173 S174	R125-S171 VanDerWaalsContact CZ-O 3.26Å; R125-S171 PolarHBondContact NH1-O 2.95Å; S171-T173 PolarHBondContact O-N 3.24Å; S171-T173 PolarHBondContact OG-N 2.96Å; S171-T173 PolarHBondContact OG-OG1 3.3Å; S171-S174 WeakPolarHBondContact OG-CB 3.32Å; S171-S174 PolarHBondContact OG-N 3.17Å; S171-S174 VanDerWaalsContact OG-N 3.12Å; S171-S174 PolarHBondContact OG-OG 3.36Å
172	A	84	Confident	92.4	Very high	74 Å²	74	26.8 Å²	26.8	61%	0.612	16%	0.156	S	C	*	.	S	Bend	trans	-67	-13.1	176.2	0	0	0	0	0	114	R125	R125-A172 VanDerWaalsContact CZ-C 3.47Å; R125-A172 VanDerWaalsContact NE-C 3.29Å; R125-A172 PolarHBondContact NE-O 2.97Å; R125-A172 PolarHBondContact NH2-O 3.01Å
173	T	84.8	Confident	92.2	Very high	121 Å²	121	26.7 Å²	26.7	74%	0.742	16%	0.156	S	C	*	.	S	Bend	trans	-112	-36.9	-173.3	52.7	0	0	0	0	114.4	R125 S171	R125-T173 PolarHBondContact NH2-O 3.45Å; S171-T173 PolarHBondContact O-N 3.24Å; S171-T173 PolarHBondContact OG-N 2.96Å; S171-T173 PolarHBondContact OG-OG1 3.3Å
174	S	89.2	Confident	92.1	Very high	31 Å²	31	25.9 Å²	25.9	22%	0.217	15%	0.153	C	C	.	.	S	Bend	trans	-76.8	157	-177.7	67.2	0	0	0	0	112.7	R125 S171 K176	R125-S174 PolarHBondContact NH1-O 3.1Å; R125-S174 PolarHBondContact NH2-O 3.31Å; S171-S174 WeakPolarHBondContact OG-CB 3.32Å; S171-S174 PolarHBondContact OG-N 3.17Å; S171-S174 VanDerWaalsContact OG-N 3.12Å; S171-S174 PolarHBondContact OG-OG 3.36Å; S174-K176 PolarHBondContact O-N 2.81Å
175	F	91.9	Very high	92.2	Very high	50 Å²	50	25.9 Å²	25.9	22%	0.219	15%	0.152	C	C	.	.			trans	-80.8	3.1	172.4	-75	-85.5	0	0	0	113.6	F131 R137 K140 F141	F131-F175 HydrophobicContact CE2-CE1 4.37Å; F131-F175 AromaticContact CZ-CE1 3.9Å; F131-F175 HydrophobicContact CZ-CE1 3.9Å; F131-F175 HydrophobicContact CZ-CZ 4.34Å; R137-F175 HydrophobicContact CB-CE1 3.81Å; R137-F175 HydrophobicContact CB-CZ 4.39Å; R137-F175 HydrophobicContact CG-CE1 3.66Å; R137-F175 HydrophobicContact CG-CZ 3.73Å; K140-F175 HydrophobicContact CB-CB 4Å; K140-F175 HydrophobicContact CB-CD1 3.57Å; K140-F175 HydrophobicContact CB-CE1 4.29Å; K140-F175 HydrophobicContact CB-CG 3.81Å; K140-F175 HydrophobicContact CD-CB 4.47Å; K140-F175 HydrophobicContact CD-CD1 3.84Å; K140-F175 HydrophobicContact CD-CD2 3.76Å; K140-F175 HydrophobicContact CD-CE1 4.03Å; K140-F175 HydrophobicContact CD-CE2 3.96Å; K140-F175 HydrophobicContact CD-CG 3.71Å; K140-F175 HydrophobicContact CD-CZ 4.1Å; K140-F175 HydrophobicContact CG-CD1 4.35Å; K140-F175 HydrophobicContact CG-CG 4.39Å; F141-F175 HydrophobicContact CD1-CD1 4.22Å; F141-F175 WeakPolarHBondContact CD1-O 3.45Å; F141-F175 HydrophobicContact CD2-CD1 4.4Å; F141-F175 HydrophobicContact CE1-CB 4.46Å; F141-F175 AromaticContact CE1-CD1 3.89Å; F141-F175 HydrophobicContact CE1-CD1 3.89Å; F141-F175 HydrophobicContact CE2-CD1 4.08Å; F141-F175 HydrophobicContact CE2-CE1 4.15Å; F141-F175 HydrophobicContact CG-CD1 4.47Å; F141-F175 AromaticContact CZ-CD1 3.83Å; F141-F175 HydrophobicContact CZ-CD1 3.83Å; F141-F175 HydrophobicContact CZ-CE1 4.12Å
176	K	94.2	Very high	92.5	Very high	57 Å²	57	27.6 Å²	27.6	25%	0.248	16%	0.158	C	C	.	.			trans	-74.1	129	-169.1	-59.5	-57.4	-159.7	171.5	0	110.5	D18 E144 C169 L170 S174	D18-K176 WeakPolarHBondContact OD2-CD 3.3Å; D18-K176 WeakPolarHBondContact OD2-CE 3.33Å; D18-K176 WeakPolarHBondContact OD2-CG 3.25Å; D18-K176 IonicContact OD2-NZ 2.79Å; E144-K176 VanDerWaalsContact CD-CD 3.46Å; E144-K176 VanDerWaalsContact OE1-CD 3.25Å; E144-K176 WeakPolarHBondContact OE1-CD 3.5Å; E144-K176 WeakPolarHBondContact OE1-CE 3.43Å; E144-K176 IonicContact OE1-NZ 2.69Å; E144-K176 PolarHBondContact OE1-NZ 2.64Å; E144-K176 WeakPolarHBondContact OE2-CD 3.45Å; E144-K176 IonicContact OE2-NZ 3.47Å; C169-K176 WeakPolarHBondContact CA-O 3.34Å; L170-K176 HydrophobicContact CB-CB 4.14Å; L170-K176 HydrophobicContact CD1-CB 3.96Å; L170-K176 WeakPolarHBondContact CD1-O 3.38Å; L170-K176 HydrophobicContact CD2-CB 4.14Å; L170-K176 HydrophobicContact CG-CB 4.32Å; L170-K176 PolarHBondContact N-O 2.66Å; S174-K176 PolarHBondContact O-N 2.81Å
177	T	95.9	Very high	92.6	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	157.5	178.8	52.9	0	0	0	0	112.5	R96 L122 F141 I167 L168 L170	R96-T177 PolarHBondContact NH1-O 3.3Å; L122-T177 HydrophobicContact CD1-CG2 4.24Å; F141-T177 HydrophobicContact CD1-CG2 3.85Å; F141-T177 HydrophobicContact CE1-CG2 4.32Å; I167-T177 HydrophobicContact CG2-CG2 4.22Å; L168-T177 CarbonylContact O-C 3.59Å; L168-T177 WeakPolarHBondContact O-CA 3.39Å; L168-T177 WeakPolarHBondContact O-CB 3.23Å; L170-T177 VanDerWaalsContact CD1-C 3.49Å
178	K	96.6	Very high	92.4	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.009	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	150.2	164.9	-55.6	-147.3	179.1	-161.9	0	112.2	T19 P95 R96 E115 I117 I167 L168 L170 I180	T19-K178 WeakPolarHBondContact OG1-CE 3.26Å; T19-K178 PolarHBondContact OG1-NZ 3.2Å; P95-K178 WeakPolarHBondContact O-CE 3.48Å; P95-K178 PolarHBondContact O-NZ 3.1Å; R96-K178 CarbonylContact O-C 3.56Å; R96-K178 VanDerWaalsContact O-CA 3.23Å; R96-K178 WeakPolarHBondContact O-CA 3.35Å; E115-K178 WeakPolarHBondContact OE1-CD 3.45Å; E115-K178 WeakPolarHBondContact OE1-CE 3.28Å; E115-K178 IonicContact OE1-NZ 3.69Å; E115-K178 PolarHBondContact OE1-NZ 3.15Å; E115-K178 WeakPolarHBondContact OE2-CE 3.3Å; E115-K178 IonicContact OE2-NZ 2.69Å; E115-K178 PolarHBondContact OE2-NZ 2.92Å; I117-K178 HydrophobicContact CD1-CB 3.81Å; I117-K178 HydrophobicContact CD1-CD 3.96Å; I117-K178 HydrophobicContact CD1-CG 3.95Å; I167-K178 WeakPolarHBondContact CA-O 3.44Å; L168-K178 PolarHBondContact N-O 3.38Å; L168-K178 PolarHBondContact O-N 3.25Å; L170-K178 HydrophobicContact CD1-CG 3.54Å; L170-K178 HydrophobicContact CG-CG 4.37Å; K178-I180 HydrophobicContact CB-CG2 4.24Å
179	I	97.7	Very high	91.8	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	134.4	165.8	-62	165.1	0	0	0	108.9	R96 L97 I98 I145 V149 H159 L162 N166 F182	R96-I179 PolarHBondContact O-N 2.81Å; L97-I179 HydrophobicContact CD2-CB 4.04Å; L97-I179 HydrophobicContact CD2-CD1 3.95Å; L97-I179 HydrophobicContact CD2-CG1 4.45Å; I98-I179 PolarHBondContact N-O 3.05Å; I145-I179 HydrophobicContact CG2-CD1 4.43Å; V149-I179 HydrophobicContact CG2-CD1 3.67Å; H159-I179 WeakPolarHBondContact CD2-CG2 3.35Å; H159-I179 WeakPolarHBondContact NE2-CG2 3.24Å; L162-I179 HydrophobicContact CD2-CD1 4.1Å; L162-I179 HydrophobicContact CD2-CG1 4.37Å; L162-I179 HydrophobicContact CD2-CG2 3.89Å; N166-I179 WeakPolarHBondContact O-CA 3.39Å; I179-F182 HydrophobicContact CG2-CZ 4.08Å
180	I	94	Very high	90.7	Very high	38 Å²	38	44 Å²	44	20%	0.195	24%	0.235	C	C	.	.			trans	-129.9	-3.2	-157.7	67.6	136.6	0	0	0	119.8	I98 I117 N166 L168 K178	I98-I180 HydrophobicContact CB-CB 4.39Å; I98-I180 HydrophobicContact CB-CG2 4.24Å; I98-I180 HydrophobicContact CD1-CB 4.1Å; I98-I180 HydrophobicContact CD1-CG2 4.08Å; I117-I180 HydrophobicContact CD1-CG2 3.82Å; N166-I180 WeakPolarHBondContact O-CG1 3.44Å; N166-I180 PolarHBondContact O-N 2.68Å; L168-I180 HydrophobicContact CB-CG2 4.16Å; L168-I180 HydrophobicContact CD1-CD1 3.92Å; L168-I180 HydrophobicContact CD1-CG2 4.09Å; L168-I180 HydrophobicContact CD2-CD1 4.23Å; L168-I180 HydrophobicContact CG-CD1 3.83Å; L168-I180 HydrophobicContact CG-CG1 4.11Å; L168-I180 HydrophobicContact CG-CG2 3.84Å; K178-I180 HydrophobicContact CB-CG2 4.24Å
181	D	91.3	Very high	89.5	Confident	25 Å²	25	48.4 Å²	48.4	13%	0.134	26%	0.255	C	S	.	.			trans	-137	93.8	-176.8	-169.9	21.1	0	0	0	112.6	F51 K69 H159 G183	F51-D181 WeakPolarHBondContact CD2-OD2 3.09Å; F51-D181 WeakPolarHBondContact CE2-OD2 3.32Å; K69-D181 IonicContact NZ-OD1 2.79Å; K69-D181 PolarHBondContact NZ-OD1 3.27Å; K69-D181 VanDerWaalsContact NZ-OD1 3.12Å; H159-D181 PolarHBondContact CE1-O 2.91Å; H159-D181 PolarHBondContact NE2-O 2.94Å; D181-G183 VanDerWaalsContact C-N 3.31Å; D181-G183 PolarHBondContact O-N 3.02Å
182	F	94.1	Very high	88.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.277	C	S	.	.			trans	-88.7	9	-175.5	-68.5	-87.8	0	0	0	113.5	E85 V88 M89 L92 L97 I98 M152 H159 I179 L184 A185	E85-F182 HydrophobicContact CG-CB 4.15Å; V88-F182 HydrophobicContact CG1-CD1 4.27Å; M89-F182 HydrophobicContact CE-CD2 4.11Å; M89-F182 HydrophobicContact CG-CB 3.96Å; M89-F182 HydrophobicContact CG-CD2 4.15Å; M89-F182 HydrophobicContact CG-CG 4.11Å; M89-F182 HydrophobicContact SD-CB 4.26Å; M89-F182 HydrophobicContact SD-CD2 4.37Å; L92-F182 HydrophobicContact CD1-CD1 3.64Å; L92-F182 HydrophobicContact CD1-CE1 3.32Å; L92-F182 HydrophobicContact CD1-CG 4.49Å; L92-F182 HydrophobicContact CD1-CZ 3.94Å; L97-F182 HydrophobicContact CB-CZ 4.18Å; L97-F182 HydrophobicContact CD2-CZ 4.11Å; I98-F182 HydrophobicContact CG2-CD2 4.13Å; I98-F182 HydrophobicContact CG2-CE2 3.98Å; M152-F182 HydrophobicContact SD-CE1 3.94Å; H159-F182 AromaticContact CD2-CE1 3.75Å; I179-F182 HydrophobicContact CG2-CZ 4.08Å; F182-L184 PolarHBondContact O-N 2.96Å; F182-A185 HydrophobicContact CB-CB 4.05Å; F182-A185 HydrophobicContact CD1-CB 3.75Å; F182-A185 HydrophobicContact CG-CB 4.4Å; F182-A185 WeakPolarHBondContact O-CB 3.42Å; F182-A185 PolarHBondContact O-N 3.47Å
183	G	90.2	Very high	88.3	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.01	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-1.3	-178.2	0	0	0	0	0	116.6	E85 D181	E85-G183 WeakPolarHBondContact OE2-CA 3.29Å; D181-G183 VanDerWaalsContact C-N 3.31Å; D181-G183 PolarHBondContact O-N 3.02Å
184	L	91	Very high	87.7	Confident	13 Å²	13	47.3 Å²	47.3	7%	0.068	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-7.9	167.4	-71.6	170.8	0	0	0	113.5	F51 D161 F182 R186 F197	F51-L184 HydrophobicContact CZ-CD2 4.45Å; F51-L184 HydrophobicContact CZ-CG 4Å; D161-L184 HydrophobicContact CB-CB 4.35Å; D161-L184 HydrophobicContact CB-CD1 3.74Å; F182-L184 PolarHBondContact O-N 2.96Å; L184-R186 PolarHBondContact O-NE 2.77Å; L184-R186 PolarHBondContact O-NH2 3.05Å; L184-F197 HydrophobicContact CD1-CB 3.93Å; L184-F197 HydrophobicContact CD1-CG 4.4Å; L184-F197 HydrophobicContact CD2-CB 4.29Å; L184-F197 HydrophobicContact CD2-CD1 4.08Å; L184-F197 HydrophobicContact CD2-CD2 3.96Å; L184-F197 HydrophobicContact CD2-CE1 4.4Å; L184-F197 HydrophobicContact CD2-CE2 4.3Å; L184-F197 HydrophobicContact CD2-CG 3.86Å
185	A	94.1	Very high	86.9	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.226	C	C	.	.			trans	-70.6	154	-176.5	0	0	0	0	0	111.4	N84 V88 V157 I158 F182	N84-A185 PolarHBondContact ND2-O 2.96Å; V88-A185 HydrophobicContact CG1-CB 4.14Å; V157-A185 HydrophobicContact CG1-CB 4.24Å; I158-A185 WeakPolarHBondContact O-CA 3.48Å; I158-A185 WeakPolarHBondContact O-CB 3.42Å; F182-A185 HydrophobicContact CB-CB 4.05Å; F182-A185 HydrophobicContact CD1-CB 3.75Å; F182-A185 HydrophobicContact CG-CB 4.4Å; F182-A185 WeakPolarHBondContact O-CB 3.42Å; F182-A185 PolarHBondContact O-N 3.47Å
186	R	94.3	Very high	85.8	Confident	56 Å²	56	49.8 Å²	49.8	21%	0.211	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	161.2	-179.5	66.1	-158	70.2	-156.1	-5.9	111.9	V157 I158 L184 L193	V157-R186 WeakPolarHBondContact CA-O 3.32Å; I158-R186 PolarHBondContact N-O 2.79Å; I158-R186 PolarHBondContact O-N 3.49Å; I158-R186 VanDerWaalsContact O-N 3.13Å; L184-R186 PolarHBondContact O-NE 2.77Å; L184-R186 PolarHBondContact O-NH2 3.05Å; R186-L193 HydrophobicContact CG-CD2 4.4Å
187	F	95.1	Very high	84.6	Confident	75 Å²	75	50.9 Å²	50.9	33%	0.329	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	133.1	166.1	-58.8	-72.1	0	0	0	110.6	A87 V88 T91 N156 V157	A87-F187 HydrophobicContact CB-CE2 4.28Å; V88-F187 HydrophobicContact CG2-CD2 4.14Å; V88-F187 HydrophobicContact CG2-CE2 3.8Å; V88-F187 HydrophobicContact CG2-CZ 4.08Å; T91-F187 HydrophobicContact CG2-CE1 3.86Å; T91-F187 HydrophobicContact CG2-CZ 3.82Å; N156-F187 CarbonylContact O-C 3.52Å; N156-F187 VanDerWaalsContact O-CA 3.32Å; N156-F187 WeakPolarHBondContact O-CA 3.45Å; V157-F187 HydrophobicContact CG2-CD1 3.78Å; V157-F187 HydrophobicContact CG2-CE1 3.8Å
188	Y	92.2	Very high	82.9	Confident	49 Å²	49	52.5 Å²	52.5	19%	0.192	27%	0.268	C	S	.	.			trans	-90.6	141.4	173.5	-177.6	-122	0	0	0	109.7	N156 I158 D190 V213 P215	N156-Y188 PolarHBondContact O-N 3.18Å; I158-Y188 HydrophobicContact CD1-CD1 4.47Å; I158-Y188 HydrophobicContact CD1-CD2 3.45Å; I158-Y188 VanDerWaalsContact CD1-CD2 3.45Å; I158-Y188 HydrophobicContact CD1-CE2 4.15Å; I158-Y188 HydrophobicContact CD1-CG 3.64Å; I158-Y188 HydrophobicContact CG1-CG 4.33Å; Y188-D190 WeakPolarHBondContact CE1-OD1 3.4Å; Y188-D190 PolarHBondContact OH-OD1 2.95Å; Y188-V213 WeakPolarHBondContact CE2-O 3.45Å; Y188-P215 HydrophobicContact CD1-CG 4.13Å; Y188-P215 HydrophobicContact CE1-CG 4.29Å
189	Q	82.9	Confident	81.8	Confident	129 Å²	129	55 Å²	55	60%	0.603	28%	0.283	S	S	*	.			trans	-144.9	30	-171.9	-59.6	-174.3	-6.4	0	0	111.9	Q191	Q189-Q191 VanDerWaalsContact CB-NE2 3.35Å; Q189-Q191 WeakPolarHBondContact O-CG 3.47Å; Q189-Q191 PolarHBondContact O-N 2.97Å; Q189-Q191 PolarHBondContact O-NE2 2.98Å
190	D	71.4	Confident	80.9	Confident	133 Å²	133	56.8 Å²	56.8	71%	0.711	30%	0.295	S	S	*	.	S	Bend	trans	52.7	5.4	-178.6	-67.5	-47.9	0	0	0	117.5	Y188	Y188-D190 WeakPolarHBondContact CE1-OD1 3.4Å; Y188-D190 PolarHBondContact OH-OD1 2.95Å
191	Q	66.6	Low	80.5	Confident	122 Å²	122	55.6 Å²	55.6	57%	0.57	29%	0.288	S	S	*	.	S	Bend	trans	-76.9	169.9	-179.7	-75.2	159.5	53.3	0	0	112.8	Q189 L193	Q189-Q191 VanDerWaalsContact CB-NE2 3.35Å; Q189-Q191 WeakPolarHBondContact O-CG 3.47Å; Q189-Q191 PolarHBondContact O-N 2.97Å; Q189-Q191 PolarHBondContact O-NE2 2.98Å; Q191-L193 PolarHBondContact O-N 3.45Å
192	N	70.4	Confident	80.5	Confident	138 Å²	138	54.7 Å²	54.7	74%	0.738	28%	0.283	S	S	*	.			trans	-69.9	61.4	175.4	-65.5	-57	0	0	0	112.7	C194 P212	N192-C194 VanDerWaalsContact C-N 3.34Å; N192-C194 PolarHBondContact O-N 2.69Å; N192-P212 HydrophobicContact CB-CG 4.38Å; N192-P212 WeakPolarHBondContact OD1-CG 3.48Å
193	L	75.4	Confident	80.3	Confident	40 Å²	40	55.2 Å²	55.2	21%	0.209	29%	0.287	C	S	.	.			trans	-71.9	84.6	176.6	176.5	66.5	0	0	0	109.8	R186 Q191 V195 V213	R186-L193 HydrophobicContact CG-CD2 4.4Å; Q191-L193 PolarHBondContact O-N 3.45Å; L193-V195 HydrophobicContact CD1-CG1 3.78Å; L193-V195 HydrophobicContact CG-CG1 4.21Å; L193-V213 WeakPolarHBondContact O-CB 3.3Å; L193-V213 WeakPolarHBondContact O-CG2 3.19Å; L193-V213 PolarHBondContact O-N 3.35Å
194	C	74.1	Confident	80.5	Confident	32 Å²	32	55.2 Å²	55.2	22%	0.216	29%	0.286	C	S	.	.			trans	-92.1	115.1	173	-61	0	0	0	0	109.6	N192 Y210	N192-C194 VanDerWaalsContact C-N 3.34Å; N192-C194 PolarHBondContact O-N 2.69Å; C194-Y210 HydrophobicContact CB-CD1 3.81Å; C194-Y210 HydrophobicContact CB-CD2 3.84Å; C194-Y210 HydrophobicContact CB-CE1 3.53Å; C194-Y210 HydrophobicContact CB-CE2 3.55Å; C194-Y210 HydrophobicContact CB-CG 3.96Å; C194-Y210 VanDerWaalsContact O-CE2 3.24Å; C194-Y210 WeakPolarHBondContact O-CE2 3.42Å; C194-Y210 PolarHBondContact O-OH 2.84Å; C194-Y210 PolarHBondContact SG-O 2.91Å
195	V	71.8	Confident	80.7	Confident	11 Å²	11	54.7 Å²	54.7	7%	0.067	28%	0.284	C	S	.	.			trans	-127.7	160.4	-178.3	-69.8	0	0	0	0	111.3	L160 L193 F197 V207 V213	L160-V195 HydrophobicContact CD1-CG2 4.32Å; L193-V195 HydrophobicContact CD1-CG1 3.78Å; L193-V195 HydrophobicContact CG-CG1 4.21Å; V195-F197 HydrophobicContact CB-CD2 3.73Å; V195-F197 HydrophobicContact CB-CE2 3.76Å; V195-F197 HydrophobicContact CG1-CD2 4.1Å; V195-F197 HydrophobicContact CG1-CE2 3.69Å; V195-F197 HydrophobicContact CG2-CD2 4.35Å; V195-V207 HydrophobicContact CG2-CG1 4.46Å; V195-V207 WeakPolarHBondContact O-CG1 3.21Å; V195-V213 HydrophobicContact CG2-CB 4.33Å; V195-V213 HydrophobicContact CG2-CG2 3.79Å
196	L	69.3	Low	80.7	Confident	123 Å²	123	54.8 Å²	54.8	64%	0.644	28%	0.284	S	S	*	.			trans	-138.3	78.6	175	-169.2	70.2	0	0	0	109.9
197	F	68.5	Low	80.6	Confident	80 Å²	80	52.6 Å²	52.6	35%	0.351	28%	0.277	S	S	.	.			trans	-128.4	174.2	-177.2	-56.7	-52.5	0	0	0	111.8	L184 V195 V203	L184-F197 HydrophobicContact CD1-CB 3.93Å; L184-F197 HydrophobicContact CD1-CG 4.4Å; L184-F197 HydrophobicContact CD2-CB 4.29Å; L184-F197 HydrophobicContact CD2-CD1 4.08Å; L184-F197 HydrophobicContact CD2-CD2 3.96Å; L184-F197 HydrophobicContact CD2-CE1 4.4Å; L184-F197 HydrophobicContact CD2-CE2 4.3Å; L184-F197 HydrophobicContact CD2-CG 3.86Å; V195-F197 HydrophobicContact CB-CD2 3.73Å; V195-F197 HydrophobicContact CB-CE2 3.76Å; V195-F197 HydrophobicContact CG1-CD2 4.1Å; V195-F197 HydrophobicContact CG1-CE2 3.69Å; V195-F197 HydrophobicContact CG2-CD2 4.35Å; F197-V203 WeakPolarHBondContact O-CG2 3.27Å
198	G	60.2	Low	80.4	Confident	35 Å²	35	50.5 Å²	50.5	36%	0.361	27%	0.269	S	S	.	.	S	Bend	trans	92.2	175.8	174.8	0	0	0	0	0	115.3
199	T	73	Confident	80.3	Confident	53 Å²	53	50.6 Å²	50.6	33%	0.325	28%	0.277	S	S	.	.			trans	-88.8	119.8	172.9	-63.1	0	0	0	0	108.8	E201 F202	T199-E201 VanDerWaalsContact C-N 3.3Å; T199-E201 HydrophobicContact CG2-CG 4.49Å; T199-E201 PolarHBondContact O-N 2.79Å; T199-F202 PolarHBondContact O-N 3.41Å
200	P	78.8	Confident	80.5	Confident	39 Å²	39	51.3 Å²	51.3	25%	0.253	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-46.1	-42.1	-163.3	-34.5	35.3	0	0	0	116.8	F202 V203 L245 I248	P200-F202 PolarHBondContact O-N 3.18Å; P200-F202 VanDerWaalsContact O-N 3.08Å; P200-V203 PolarHBondContact O-N 3.28Å; P200-V203 VanDerWaalsContact O-N 3.09Å; P200-L245 HydrophobicContact CB-CD2 4.13Å; P200-I248 WeakPolarHBondContact O-CD1 3.16Å
201	E	86.1	Confident	81.4	Confident	13 Å²	13	49.5 Å²	49.5	6%	0.061	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-66.7	-8.2	-177.7	72.5	-175.9	121.8	0	0	115.1	T199 V224 S234 T244 R318	T199-E201 VanDerWaalsContact C-N 3.3Å; T199-E201 HydrophobicContact CG2-CG 4.49Å; T199-E201 PolarHBondContact O-N 2.79Å; E201-V224 WeakPolarHBondContact O-CG1 3.35Å; E201-S234 VanDerWaalsContact OE2-CB 3.31Å; E201-S234 WeakPolarHBondContact OE2-CB 3.2Å; E201-S234 PolarHBondContact OE2-OG 3.2Å; E201-T244 HydrophobicContact CB-CG2 4.07Å; E201-R318 VanDerWaalsContact CD-NH2 3.26Å; E201-R318 IonicContact OE1-CZ 2.63Å; E201-R318 IonicContact OE1-NH1 3.5Å; E201-R318 PolarHBondContact OE1-NH1 2.78Å; E201-R318 IonicContact OE1-NH2 3.45Å; E201-R318 PolarHBondContact OE1-NH2 3.22Å; E201-R318 IonicContact OE2-CZ 1.89Å; E201-R318 IonicContact OE2-NH1 3.71Å; E201-R318 IonicContact OE2-NH2 2.68Å; E201-R318 PolarHBondContact OE2-NH2 3.1Å
202	F	91.1	Very high	82.5	Confident	6 Å²	6	46.7 Å²	46.7	3%	0.026	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-107.8	-14.7	173.1	-72.2	-90.6	0	0	0	113.6	K163 P164 T199 P200 S221 V224 I225 V228 F315	K163-F202 HydrophobicContact CB-CD1 4.45Å; K163-F202 HydrophobicContact CB-CG 4.35Å; P164-F202 VanDerWaalsContact CD-CE1 3.48Å; P164-F202 HydrophobicContact CG-CE1 4.07Å; P164-F202 HydrophobicContact CG-CZ 3.95Å; T199-F202 PolarHBondContact O-N 3.41Å; P200-F202 PolarHBondContact O-N 3.18Å; P200-F202 VanDerWaalsContact O-N 3.08Å; F202-S221 PolarHBondContact O-OG 3.44Å; F202-V224 HydrophobicContact CD1-CB 3.94Å; F202-V224 HydrophobicContact CD1-CG1 3.69Å; F202-V224 HydrophobicContact CE1-CB 3.93Å; F202-V224 HydrophobicContact CE1-CG1 3.37Å; F202-V224 HydrophobicContact CE2-CG1 4.33Å; F202-V224 HydrophobicContact CG-CG1 4.29Å; F202-V224 HydrophobicContact CZ-CG1 3.7Å; F202-I225 HydrophobicContact CD1-CG1 4.1Å; F202-I225 HydrophobicContact CE1-CG1 3.76Å; F202-V228 HydrophobicContact CZ-CG2 4.48Å; F202-F315 HydrophobicContact CE2-CZ 4.39Å; F202-F315 HydrophobicContact CZ-CZ 4.04Å
203	V	90.9	Very high	83.6	Confident	12 Å²	12	40.1 Å²	40.1	7%	0.073	22%	0.219	C	C	.	.	S	Bend	trans	-77.2	142.9	-173	-179.5	0	0	0	0	109.9	F197 P200 V207 I208 W220	F197-V203 WeakPolarHBondContact O-CG2 3.27Å; P200-V203 PolarHBondContact O-N 3.28Å; P200-V203 VanDerWaalsContact O-N 3.09Å; V203-V207 HydrophobicContact CG1-CB 3.49Å; V203-V207 VanDerWaalsContact CG1-CB 3.49Å; V203-V207 HydrophobicContact CG1-CG1 3.34Å; V203-V207 HydrophobicContact CG1-CG2 4.34Å; V203-I208 HydrophobicContact CB-CD1 4.31Å; V203-I208 HydrophobicContact CB-CG1 4.35Å; V203-I208 HydrophobicContact CG1-CD1 4.26Å; V203-I208 HydrophobicContact CG1-CG1 3.84Å; V203-W220 PolarHBondContact O-NE1 2.86Å; V203-W220 VanDerWaalsContact O-NE1 3.08Å
204	S	94	Very high	84.4	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.007	22%	0.217	C	C	.	.			trans	-81	158	-176.8	60.8	0	0	0	0	113.5	E206 V207 I208 A217 W220	S204-E206 VanDerWaalsContact C-N 3.29Å; S204-E206 VanDerWaalsContact CB-CD 3.5Å; S204-E206 WeakPolarHBondContact CB-OE1 3.37Å; S204-E206 WeakPolarHBondContact CB-OE2 3.49Å; S204-E206 PolarHBondContact O-N 2.8Å; S204-E206 PolarHBondContact OG-OE1 3Å; S204-E206 PolarHBondContact OG-OE2 3.48Å; S204-V207 PolarHBondContact O-N 3.28Å; S204-V207 VanDerWaalsContact OG-CG2 3.27Å; S204-V207 WeakPolarHBondContact OG-CG2 3.39Å; S204-I208 PolarHBondContact O-N 2.94Å; S204-I208 VanDerWaalsContact O-N 3.15Å; S204-A217 WeakPolarHBondContact OG-CB 3.39Å; S204-W220 VanDerWaalsContact CA-CD1 3.46Å
205	P	95.2	Very high	85.5	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.013	22%	0.217	C	C	.	.	H	α-helix	trans	-56.7	-37.5	-177.2	-26.1	34.3	0	0	0	114.2	I208 S209 W220 I248 V251	P205-I208 PolarHBondContact O-N 3.11Å; P205-S209 VanDerWaalsContact O-CB 3.27Å; P205-S209 WeakPolarHBondContact O-CB 3.49Å; P205-S209 PolarHBondContact O-N 2.99Å; P205-S209 PolarHBondContact O-OG 2.91Å; P205-W220 HydrophobicContact CG-CE3 4.22Å; P205-W220 HydrophobicContact CG-CH2 3.7Å; P205-W220 HydrophobicContact CG-CZ2 4.05Å; P205-W220 HydrophobicContact CG-CZ3 3.79Å; P205-I248 HydrophobicContact CB-CG2 4.4Å; P205-I248 HydrophobicContact CG-CG2 3.88Å; P205-V251 HydrophobicContact CG-CG2 4.23Å
206	E	94	Very high	86.7	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.009	22%	0.219	C	C	.	.	H	α-helix	trans	-67.4	-42.1	179.3	65.7	-76.9	-178.5	0	0	111.9	S204 I208 S209 Y210 E211 A217 R282	S204-E206 VanDerWaalsContact C-N 3.29Å; S204-E206 VanDerWaalsContact CB-CD 3.5Å; S204-E206 WeakPolarHBondContact CB-OE1 3.37Å; S204-E206 WeakPolarHBondContact CB-OE2 3.49Å; S204-E206 PolarHBondContact O-N 2.8Å; S204-E206 PolarHBondContact OG-OE1 3Å; S204-E206 PolarHBondContact OG-OE2 3.48Å; E206-I208 VanDerWaalsContact C-N 3.34Å; E206-I208 PolarHBondContact O-N 3.01Å; E206-S209 CarbonylContact O-C 3.58Å; E206-S209 PolarHBondContact O-N 3.48Å; E206-S209 VanDerWaalsContact O-N 3.17Å; E206-Y210 PolarHBondContact O-N 3.47Å; E206-E211 HydrophobicContact CB-CB 3.89Å; E206-E211 PolarHBondContact O-N 3.04Å; E206-A217 WeakPolarHBondContact OE1-CB 3.04Å; E206-R282 VanDerWaalsContact CD-NH1 3.35Å; E206-R282 IonicContact OE1-CZ 2.65Å; E206-R282 IonicContact OE1-NH1 3.89Å; E206-R282 PolarHBondContact OE1-NH1 2.88Å; E206-R282 IonicContact OE1-NH2 2.66Å; E206-R282 IonicContact OE2-CZ 2.83Å; E206-R282 IonicContact OE2-NH1 2.89Å; E206-R282 PolarHBondContact OE2-NH1 3.42Å; E206-R282 IonicContact OE2-NH2 3.12Å; E206-R282 PolarHBondContact OE2-NH2 3.25Å
207	V	91.5	Very high	88	Confident	9 Å²	9	33.9 Å²	33.9	6%	0.055	19%	0.19	C	C	.	.	H	α-helix	trans	-63.6	-40.4	175.9	178	0	0	0	0	110.7	V195 V203 S204 S209 Y210 V213 A217	V195-V207 HydrophobicContact CG2-CG1 4.46Å; V195-V207 WeakPolarHBondContact O-CG1 3.21Å; V203-V207 HydrophobicContact CG1-CB 3.49Å; V203-V207 VanDerWaalsContact CG1-CB 3.49Å; V203-V207 HydrophobicContact CG1-CG1 3.34Å; V203-V207 HydrophobicContact CG1-CG2 4.34Å; S204-V207 PolarHBondContact O-N 3.28Å; S204-V207 VanDerWaalsContact OG-CG2 3.27Å; S204-V207 WeakPolarHBondContact OG-CG2 3.39Å; V207-S209 VanDerWaalsContact C-N 3.35Å; V207-Y210 PolarHBondContact O-N 3.4Å; V207-V213 HydrophobicContact CB-CG2 4.45Å; V207-V213 HydrophobicContact CG2-CB 4.48Å; V207-V213 HydrophobicContact CG2-CG1 3.95Å; V207-V213 HydrophobicContact CG2-CG2 3.6Å; V207-A217 HydrophobicContact CG2-CB 4.35Å
208	I	90.3	Very high	89.4	Confident	31 Å²	31	30 Å²	30	16%	0.159	17%	0.174	C	C	.	.	H	α-helix	trans	-69.2	-34.2	175.7	-69.9	160.3	0	0	0	111.8	V203 S204 P205 E206 Y210 L245 I248 I249	V203-I208 HydrophobicContact CB-CD1 4.31Å; V203-I208 HydrophobicContact CB-CG1 4.35Å; V203-I208 HydrophobicContact CG1-CD1 4.26Å; V203-I208 HydrophobicContact CG1-CG1 3.84Å; S204-I208 PolarHBondContact O-N 2.94Å; S204-I208 VanDerWaalsContact O-N 3.15Å; P205-I208 PolarHBondContact O-N 3.11Å; E206-I208 VanDerWaalsContact C-N 3.34Å; E206-I208 PolarHBondContact O-N 3.01Å; I208-Y210 PolarHBondContact O-N 2.85Å; I208-L245 HydrophobicContact CD1-CD2 3.68Å; I208-L245 HydrophobicContact CG1-CD2 3.82Å; I208-L245 HydrophobicContact CG2-CD2 3.94Å; I208-I248 HydrophobicContact CD1-CB 3.9Å; I208-I248 HydrophobicContact CD1-CD1 3.67Å; I208-I248 HydrophobicContact CD1-CG1 4.39Å; I208-I248 HydrophobicContact CD1-CG2 3.51Å; I208-I249 HydrophobicContact CG2-CD1 3.71Å; I208-I249 HydrophobicContact CG2-CG1 3.76Å
209	S	90.1	Very high	91.2	Very high	51 Å²	51	28.5 Å²	28.5	36%	0.357	16%	0.157	S	C	.	.	H	α-helix	trans	-81.6	-3.9	178.7	-52.8	0	0	0	0	113	P205 E206 V207 E211	P205-S209 VanDerWaalsContact O-CB 3.27Å; P205-S209 WeakPolarHBondContact O-CB 3.49Å; P205-S209 PolarHBondContact O-N 2.99Å; P205-S209 PolarHBondContact O-OG 2.91Å; E206-S209 CarbonylContact O-C 3.58Å; E206-S209 PolarHBondContact O-N 3.48Å; E206-S209 VanDerWaalsContact O-N 3.17Å; V207-S209 VanDerWaalsContact C-N 3.35Å; S209-E211 PolarHBondContact O-N 3Å
210	Y	88.5	Confident	92.4	Very high	145 Å²	145	26 Å²	26	57%	0.569	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	33.5	-173.2	-158.3	-112.3	0	0	0	113.3	C194 E206 V207 I208	C194-Y210 HydrophobicContact CB-CD1 3.81Å; C194-Y210 HydrophobicContact CB-CD2 3.84Å; C194-Y210 HydrophobicContact CB-CE1 3.53Å; C194-Y210 HydrophobicContact CB-CE2 3.55Å; C194-Y210 HydrophobicContact CB-CG 3.96Å; C194-Y210 VanDerWaalsContact O-CE2 3.24Å; C194-Y210 WeakPolarHBondContact O-CE2 3.42Å; C194-Y210 PolarHBondContact O-OH 2.84Å; C194-Y210 PolarHBondContact SG-O 2.91Å; E206-Y210 PolarHBondContact O-N 3.47Å; V207-Y210 PolarHBondContact O-N 3.4Å; I208-Y210 PolarHBondContact O-N 2.85Å
211	E	90.4	Very high	93.3	Very high	94 Å²	94	24.4 Å²	24.4	44%	0.439	13%	0.131	S	C	.	.	P	Polyproline II helix	trans	-84	161.5	172.7	-68.4	170.6	167	0	0	110.5	E206 S209 V213	E206-E211 HydrophobicContact CB-CB 3.89Å; E206-E211 PolarHBondContact O-N 3.04Å; S209-E211 PolarHBondContact O-N 3Å; E211-V213 WeakPolarHBondContact O-CG2 3.49Å; E211-V213 PolarHBondContact O-N 3.29Å
212	P	90.2	Very high	93.9	Very high	63 Å²	63	23.8 Å²	23.8	41%	0.409	13%	0.128	S	C	.	.	P	Polyproline II helix	trans	-57.7	128.6	177.7	-28.1	37.3	0	0	0	113.5	N192	N192-P212 HydrophobicContact CB-CG 4.38Å; N192-P212 WeakPolarHBondContact OD1-CG 3.48Å
213	V	91.8	Very high	94.2	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-97.3	137.6	-173.7	-175.6	0	0	0	0	111.3	L160 Y188 L193 V195 V207 E211 A217	L160-V213 HydrophobicContact CD2-CG1 3.58Å; Y188-V213 WeakPolarHBondContact CE2-O 3.45Å; L193-V213 WeakPolarHBondContact O-CB 3.3Å; L193-V213 WeakPolarHBondContact O-CG2 3.19Å; L193-V213 PolarHBondContact O-N 3.35Å; V195-V213 HydrophobicContact CG2-CB 4.33Å; V195-V213 HydrophobicContact CG2-CG2 3.79Å; V207-V213 HydrophobicContact CB-CG2 4.45Å; V207-V213 HydrophobicContact CG2-CB 4.48Å; V207-V213 HydrophobicContact CG2-CG1 3.95Å; V207-V213 HydrophobicContact CG2-CG2 3.6Å; E211-V213 WeakPolarHBondContact O-CG2 3.49Å; E211-V213 PolarHBondContact O-N 3.29Å; V213-A217 HydrophobicContact CG1-CB 3.66Å
214	S	93.9	Very high	94.6	Very high	23 Å²	23	22.9 Å²	22.9	16%	0.161	12%	0.124	C	C	.	.			trans	-131.5	173.8	-177.7	62.8	0	0	0	0	110.4	A216 A217	S214-A216 PolarHBondContact O-N 2.97Å; S214-A217 WeakPolarHBondContact O-CB 3.41Å; S214-A217 PolarHBondContact O-N 2.93Å
215	P	96.3	Very high	94.7	Very high	33 Å²	33	22.9 Å²	22.9	21%	0.214	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-20.9	179.9	-24.9	34.4	0	0	0	114.3	H153 I158 Y188 A217 D218 M219	H153-P215 PolarHBondContact CE1-O 2.86Å; H153-P215 VanDerWaalsContact CE1-O 3.26Å; I158-P215 HydrophobicContact CD1-CG 4.01Å; I158-P215 HydrophobicContact CG1-CB 4.26Å; I158-P215 HydrophobicContact CG1-CG 3.91Å; Y188-P215 HydrophobicContact CD1-CG 4.13Å; Y188-P215 HydrophobicContact CE1-CG 4.29Å; P215-A217 PolarHBondContact O-N 3.35Å; P215-A217 VanDerWaalsContact O-N 3.11Å; P215-D218 WeakPolarHBondContact O-CB 3.35Å; P215-D218 PolarHBondContact O-N 3.14Å; P215-D218 VanDerWaalsContact O-N 3.13Å; P215-M219 PolarHBondContact O-N 3Å
216	A	97.1	Very high	94.8	Very high	14 Å²	14	22.8 Å²	22.8	12%	0.116	12%	0.123	C	C	.	.	H	α-helix	trans	-59.6	-16.1	172.9	0	0	0	0	0	114.8	S214 M219 W220 P279 R282	S214-A216 PolarHBondContact O-N 2.97Å; A216-M219 PolarHBondContact O-N 2.87Å; A216-W220 PolarHBondContact O-N 2.81Å; A216-W220 VanDerWaalsContact O-N 3.08Å; A216-P279 HydrophobicContact CB-CB 3.69Å; A216-P279 WeakPolarHBondContact CB-O 3.36Å; A216-R282 WeakPolarHBondContact O-CD 3.35Å; A216-R282 PolarHBondContact O-NH1 2.92Å
217	A	96.2	Very high	94.9	Very high	4 Å²	4	22.7 Å²	22.7	3%	0.033	12%	0.123	C	C	.	.	H	α-helix	trans	-72.8	-37.2	173.5	0	0	0	0	0	112.8	S204 E206 V207 V213 S214 P215 M219 W220 S221	S204-A217 WeakPolarHBondContact OG-CB 3.39Å; E206-A217 WeakPolarHBondContact OE1-CB 3.04Å; V207-A217 HydrophobicContact CG2-CB 4.35Å; V213-A217 HydrophobicContact CG1-CB 3.66Å; S214-A217 WeakPolarHBondContact O-CB 3.41Å; S214-A217 PolarHBondContact O-N 2.93Å; P215-A217 PolarHBondContact O-N 3.35Å; P215-A217 VanDerWaalsContact O-N 3.11Å; A217-M219 VanDerWaalsContact C-N 3.31Å; A217-W220 PolarHBondContact O-N 2.96Å; A217-S221 PolarHBondContact O-N 3.16Å; A217-S221 PolarHBondContact O-OG 3.48Å
218	D	97.6	Very high	95.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.2	-39.8	170.9	-74.7	-18.5	0	0	0	110	V149 M152 H153 I158 H159 L160 L162 P215 W220 S221 L222	V149-D218 HydrophobicContact CG1-CB 4.43Å; M152-D218 WeakPolarHBondContact CE-OD2 3.19Å; H153-D218 IonicContact CD2-OD2 3.45Å; H153-D218 IonicContact CE1-OD2 2.76Å; H153-D218 IonicContact NE2-OD2 3.58Å; H153-D218 PolarHBondContact NE2-OD2 3.16Å; I158-D218 VanDerWaalsContact CG2-OD2 3.3Å; I158-D218 WeakPolarHBondContact CG2-OD2 3.39Å; H159-D218 PolarHBondContact N-OD1 2.7Å; H159-D218 PolarHBondContact N-OD2 3.49Å; L160-D218 PolarHBondContact N-OD1 2.82Å; L162-D218 HydrophobicContact CD1-CB 3.65Å; P215-D218 WeakPolarHBondContact O-CB 3.35Å; P215-D218 PolarHBondContact O-N 3.14Å; P215-D218 VanDerWaalsContact O-N 3.13Å; D218-W220 PolarHBondContact O-N 2.81Å; D218-S221 WeakPolarHBondContact O-CA 3.27Å; D218-S221 VanDerWaalsContact O-CB 3.26Å; D218-S221 WeakPolarHBondContact O-CB 3.38Å; D218-S221 PolarHBondContact O-N 3.08Å; D218-S221 VanDerWaalsContact O-N 3.11Å; D218-L222 PolarHBondContact O-N 2.93Å
219	M	98.6	Very high	95.2	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-64	-39.7	178.5	-58.6	-48.8	-55.8	0	0	112.5	L146 V149 P215 A216 A217 S221 L222 G223 L274 M283 A285 C288	L146-M219 HydrophobicContact CD2-CE 3.92Å; V149-M219 HydrophobicContact CG1-SD 3.96Å; P215-M219 PolarHBondContact O-N 3Å; A216-M219 PolarHBondContact O-N 2.87Å; A217-M219 VanDerWaalsContact C-N 3.31Å; M219-S221 VanDerWaalsContact C-N 3.34Å; M219-S221 PolarHBondContact O-N 2.8Å; M219-L222 HydrophobicContact CE-CD1 3.97Å; M219-L222 PolarHBondContact O-N 3.37Å; M219-L222 HydrophobicContact SD-CD1 4.14Å; M219-G223 PolarHBondContact O-N 3.13Å; M219-L274 HydrophobicContact CB-CD2 3.91Å; M219-L274 HydrophobicContact CE-CD2 3.77Å; M219-M283 WeakPolarHBondContact CE-O 3.25Å; M219-M283 WeakPolarHBondContact CG-O 3.13Å; M219-A285 HydrophobicContact CE-CB 4.14Å; M219-A285 HydrophobicContact SD-CB 3.92Å; M219-C288 HydrophobicContact CE-CB 4.39Å; M219-C288 VanDerWaalsContact CE-SG 3.53Å
220	W	98.2	Very high	95.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-58.2	-46.4	169.8	172.7	-84.2	0	0	0	111.7	V203 S204 P205 A216 A217 D218 L222 G223 V224 F236 I248 V251 L275	V203-W220 PolarHBondContact O-NE1 2.86Å; V203-W220 VanDerWaalsContact O-NE1 3.08Å; S204-W220 VanDerWaalsContact CA-CD1 3.46Å; P205-W220 HydrophobicContact CG-CE3 4.22Å; P205-W220 HydrophobicContact CG-CH2 3.7Å; P205-W220 HydrophobicContact CG-CZ2 4.05Å; P205-W220 HydrophobicContact CG-CZ3 3.79Å; A216-W220 PolarHBondContact O-N 2.81Å; A216-W220 VanDerWaalsContact O-N 3.08Å; A217-W220 PolarHBondContact O-N 2.96Å; D218-W220 PolarHBondContact O-N 2.81Å; W220-L222 VanDerWaalsContact C-N 3.28Å; W220-L222 PolarHBondContact O-N 2.84Å; W220-G223 WeakPolarHBondContact O-CA 3.28Å; W220-G223 PolarHBondContact O-N 3.25Å; W220-V224 PolarHBondContact O-N 2.91Å; W220-F236 AromaticContact CE2-CE2 3.95Å; W220-F236 HydrophobicContact CH2-CE1 4.16Å; W220-F236 AromaticContact CH2-CE2 3.77Å; W220-F236 HydrophobicContact CH2-CE2 3.77Å; W220-F236 AromaticContact CH2-CZ 3.4Å; W220-F236 HydrophobicContact CH2-CZ 3.4Å; W220-F236 VanDerWaalsContact CH2-CZ 3.4Å; W220-F236 AromaticContact CZ2-CD2 3.97Å; W220-F236 HydrophobicContact CZ2-CD2 3.97Å; W220-F236 HydrophobicContact CZ2-CE1 4.26Å; W220-F236 AromaticContact CZ2-CE2 3.2Å; W220-F236 HydrophobicContact CZ2-CE2 3.2Å; W220-F236 AromaticContact CZ2-CZ 3.38Å; W220-F236 HydrophobicContact CZ2-CZ 3.38Å; W220-F236 HydrophobicContact CZ3-CZ 4.46Å; W220-I248 HydrophobicContact CH2-CG2 4.4Å; W220-I248 HydrophobicContact CZ2-CG2 3.73Å; W220-V251 HydrophobicContact CH2-CG1 4.08Å; W220-V251 HydrophobicContact CH2-CG2 3.95Å; W220-V251 HydrophobicContact CZ3-CG1 4.19Å; W220-V251 HydrophobicContact CZ3-CG2 4.12Å; W220-L275 HydrophobicContact CD2-CD2 3.89Å; W220-L275 HydrophobicContact CE3-CD2 3.96Å; W220-L275 HydrophobicContact CG-CD2 4.42Å; W220-L275 HydrophobicContact CH2-CD2 4.38Å; W220-L275 HydrophobicContact CZ2-CD2 4.31Å; W220-L275 HydrophobicContact CZ3-CB 4.21Å; W220-L275 HydrophobicContact CZ3-CD2 4.22Å
221	S	97.7	Very high	95.6	Very high	6 Å²	6	11.5 Å²	11.5	4%	0.042	7%	0.068	C	C	.	.	H	α-helix	trans	-58.4	-40.3	177.6	-52.3	0	0	0	0	111.8	F202 A217 D218 M219 V224 I225	F202-S221 PolarHBondContact O-OG 3.44Å; A217-S221 PolarHBondContact O-N 3.16Å; A217-S221 PolarHBondContact O-OG 3.48Å; D218-S221 WeakPolarHBondContact O-CA 3.27Å; D218-S221 VanDerWaalsContact O-CB 3.26Å; D218-S221 WeakPolarHBondContact O-CB 3.38Å; D218-S221 PolarHBondContact O-N 3.08Å; D218-S221 VanDerWaalsContact O-N 3.11Å; M219-S221 VanDerWaalsContact C-N 3.34Å; M219-S221 PolarHBondContact O-N 2.8Å; S221-V224 PolarHBondContact O-N 3.04Å; S221-I225 WeakPolarHBondContact O-CD1 3.44Å; S221-I225 VanDerWaalsContact O-CG1 3.28Å; S221-I225 WeakPolarHBondContact O-CG1 3.37Å; S221-I225 PolarHBondContact O-N 3.49Å
222	L	98.3	Very high	95.6	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-64.8	-36.7	172.7	-67.4	-172.9	0	0	0	113	M142 I145 L146 V149 L162 D218 M219 W220 I225 C226	M142-L222 HydrophobicContact CE-CB 4.41Å; I145-L222 HydrophobicContact CG2-CD2 3.51Å; L146-L222 HydrophobicContact CD2-CD1 3.55Å; L146-L222 HydrophobicContact CG-CD1 4.28Å; V149-L222 HydrophobicContact CB-CD1 4.29Å; V149-L222 HydrophobicContact CG1-CD1 4.29Å; V149-L222 HydrophobicContact CG2-CD1 4.07Å; L162-L222 HydrophobicContact CD1-CD2 4.03Å; L162-L222 HydrophobicContact CD1-CG 4.17Å; D218-L222 PolarHBondContact O-N 2.93Å; M219-L222 HydrophobicContact CE-CD1 3.97Å; M219-L222 PolarHBondContact O-N 3.37Å; M219-L222 HydrophobicContact SD-CD1 4.14Å; W220-L222 VanDerWaalsContact C-N 3.28Å; W220-L222 PolarHBondContact O-N 2.84Å; L222-I225 HydrophobicContact CD2-CD1 4.19Å; L222-I225 PolarHBondContact O-N 3.08Å; L222-C226 VanDerWaalsContact O-CB 3.29Å; L222-C226 WeakPolarHBondContact O-CB 3.47Å; L222-C226 PolarHBondContact O-N 3.06Å
223	G	98.3	Very high	95.6	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-60.1	-44.2	173	0	0	0	0	0	112.2	M219 W220 C226 Y227	M219-G223 PolarHBondContact O-N 3.13Å; W220-G223 WeakPolarHBondContact O-CA 3.28Å; W220-G223 PolarHBondContact O-N 3.25Å; G223-C226 PolarHBondContact O-N 3.32Å; G223-Y227 WeakPolarHBondContact O-CB 3.45Å; G223-Y227 PolarHBondContact O-N 2.86Å
224	V	97.5	Very high	95.6	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-63.8	-47.8	173.9	-177.3	0	0	0	0	110.7	E201 F202 W220 S221 C226 Y227 V228 P235 F236 L275	E201-V224 WeakPolarHBondContact O-CG1 3.35Å; F202-V224 HydrophobicContact CD1-CB 3.94Å; F202-V224 HydrophobicContact CD1-CG1 3.69Å; F202-V224 HydrophobicContact CE1-CB 3.93Å; F202-V224 HydrophobicContact CE1-CG1 3.37Å; F202-V224 HydrophobicContact CE2-CG1 4.33Å; F202-V224 HydrophobicContact CG-CG1 4.29Å; F202-V224 HydrophobicContact CZ-CG1 3.7Å; W220-V224 PolarHBondContact O-N 2.91Å; S221-V224 PolarHBondContact O-N 3.04Å; V224-C226 VanDerWaalsContact C-N 3.3Å; V224-C226 PolarHBondContact O-N 2.85Å; V224-Y227 PolarHBondContact O-N 3.23Å; V224-V228 HydrophobicContact CG1-CG2 4.36Å; V224-V228 VanDerWaalsContact O-CG2 3.28Å; V224-V228 WeakPolarHBondContact O-CG2 3.2Å; V224-V228 PolarHBondContact O-N 2.93Å; V224-P235 HydrophobicContact CB-CG 4.44Å; V224-P235 HydrophobicContact CG1-CG 3.94Å; V224-P235 HydrophobicContact CG2-CG 4.3Å; V224-F236 HydrophobicContact CG2-CD2 4.36Å; V224-F236 HydrophobicContact CG2-CE2 4.05Å; V224-L275 HydrophobicContact CG2-CD2 3.92Å
225	I	96.8	Very high	95.7	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-56.3	-44.9	177.5	-71.7	162.4	0	0	0	111.1	F123 M142 L162 P164 I167 F202 S221 L222 V228 M229	F123-I225 HydrophobicContact CE2-CG2 4.13Å; F123-I225 HydrophobicContact CZ-CG2 4.32Å; M142-I225 HydrophobicContact SD-CG2 4.41Å; L162-I225 HydrophobicContact CB-CD1 4.43Å; P164-I225 HydrophobicContact CG-CG1 4.43Å; I167-I225 HydrophobicContact CD1-CD1 3.98Å; F202-I225 HydrophobicContact CD1-CG1 4.1Å; F202-I225 HydrophobicContact CE1-CG1 3.76Å; S221-I225 WeakPolarHBondContact O-CD1 3.44Å; S221-I225 VanDerWaalsContact O-CG1 3.28Å; S221-I225 WeakPolarHBondContact O-CG1 3.37Å; S221-I225 PolarHBondContact O-N 3.49Å; L222-I225 HydrophobicContact CD2-CD1 4.19Å; L222-I225 PolarHBondContact O-N 3.08Å; I225-V228 PolarHBondContact O-N 3.1Å; I225-M229 HydrophobicContact CG2-CE 4.04Å; I225-M229 VanDerWaalsContact O-CB 3.28Å; I225-M229 WeakPolarHBondContact O-CB 3.23Å; I225-M229 PolarHBondContact O-N 3.46Å
226	C	97.2	Very high	95.7	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-64.2	-47	179.1	-174.2	0	0	0	0	112.2	M142 L222 G223 V224 V228 M229 L230 F270 I271 W293	M142-C226 HydrophobicContact CE-CB 4.03Å; M142-C226 HydrophobicContact SD-CB 4Å; L222-C226 VanDerWaalsContact O-CB 3.29Å; L222-C226 WeakPolarHBondContact O-CB 3.47Å; L222-C226 PolarHBondContact O-N 3.06Å; G223-C226 PolarHBondContact O-N 3.32Å; V224-C226 VanDerWaalsContact C-N 3.3Å; V224-C226 PolarHBondContact O-N 2.85Å; C226-V228 PolarHBondContact O-N 3.42Å; C226-M229 PolarHBondContact O-N 2.84Å; C226-L230 PolarHBondContact O-N 3.49Å; C226-F270 HydrophobicContact CB-CE1 4.27Å; C226-I271 HydrophobicContact CB-CG1 4.24Å; C226-W293 VanDerWaalsContact SG-CZ3 3.58Å
227	Y	96.6	Very high	95.4	Very high	1 Å²	1	6.9 Å²	6.9	0%	0.004	4%	0.04	C	C	.	.	H	α-helix	trans	-57.1	-46.5	176.1	-178.2	-78.6	0	0	0	111.9	G223 V224 L230 S231 L233 P235 Y253 N254 F255 Y257 F260 I271	G223-Y227 WeakPolarHBondContact O-CB 3.45Å; G223-Y227 PolarHBondContact O-N 2.86Å; V224-Y227 PolarHBondContact O-N 3.23Å; Y227-L230 PolarHBondContact O-N 3.14Å; Y227-S231 PolarHBondContact O-N 2.55Å; Y227-S231 PolarHBondContact O-OG 3.01Å; Y227-L233 WeakPolarHBondContact CD1-O 3.2Å; Y227-L233 HydrophobicContact CE1-CB 3.88Å; Y227-P235 HydrophobicContact CD1-CB 3.68Å; Y227-P235 VanDerWaalsContact CD1-CD 3.5Å; Y227-P235 HydrophobicContact CD1-CG 3.84Å; Y227-P235 HydrophobicContact CD2-CB 4.04Å; Y227-P235 HydrophobicContact CE1-CB 3.68Å; Y227-P235 HydrophobicContact CE1-CG 4.27Å; Y227-P235 HydrophobicContact CE2-CB 4.05Å; Y227-P235 HydrophobicContact CG-CB 3.86Å; Y227-P235 HydrophobicContact CG-CG 4.04Å; Y227-Y253 HydrophobicContact CD2-CD2 4.38Å; Y227-Y253 HydrophobicContact CE2-CD2 4.05Å; Y227-N254 PolarHBondContact OH-O 3.35Å; Y227-F255 HydrophobicContact CD2-CE1 4.19Å; Y227-F255 HydrophobicContact CE2-CD1 4.32Å; Y227-F255 HydrophobicContact CE2-CE1 4.29Å; Y227-Y257 VanDerWaalsContact OH-CE2 3.23Å; Y227-Y257 WeakPolarHBondContact OH-CE2 3.35Å; Y227-F260 HydrophobicContact CD1-CZ 4.37Å; Y227-F260 HydrophobicContact CD2-CE2 4.17Å; Y227-F260 AromaticContact CD2-CZ 3.59Å; Y227-F260 HydrophobicContact CD2-CZ 3.59Å; Y227-F260 HydrophobicContact CE1-CE2 4.21Å; Y227-F260 HydrophobicContact CE1-CZ 4.26Å; Y227-F260 AromaticContact CE2-CE2 3.52Å; Y227-F260 HydrophobicContact CE2-CE2 3.52Å; Y227-F260 AromaticContact CE2-CZ 3.45Å; Y227-F260 HydrophobicContact CE2-CZ 3.45Å; Y227-F260 VanDerWaalsContact CE2-CZ 3.45Å; Y227-F260 HydrophobicContact CG-CZ 4.07Å; Y227-F260 AromaticContact CZ-CE2 3.56Å; Y227-F260 AromaticContact CZ-CZ 3.82Å; Y227-I271 HydrophobicContact CD2-CD1 4.39Å; Y227-I271 HydrophobicContact CD2-CG2 4.25Å
228	V	94.6	Very high	95.1	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-67.4	-40.3	177.1	-170.7	0	0	0	0	110.6	F123 F202 V224 I225 C226 L230 S231 G232 L233 L312 F315	F123-V228 HydrophobicContact CE1-CB 4.1Å; F123-V228 HydrophobicContact CE1-CG1 3.74Å; F123-V228 HydrophobicContact CZ-CB 4.4Å; F202-V228 HydrophobicContact CZ-CG2 4.48Å; V224-V228 HydrophobicContact CG1-CG2 4.36Å; V224-V228 VanDerWaalsContact O-CG2 3.28Å; V224-V228 WeakPolarHBondContact O-CG2 3.2Å; V224-V228 PolarHBondContact O-N 2.93Å; I225-V228 PolarHBondContact O-N 3.1Å; C226-V228 PolarHBondContact O-N 3.42Å; V228-L230 PolarHBondContact O-N 2.96Å; V228-S231 PolarHBondContact O-N 3Å; V228-G232 VanDerWaalsContact O-CA 3.28Å; V228-G232 WeakPolarHBondContact O-CA 3.35Å; V228-G232 PolarHBondContact O-N 2.73Å; V228-L233 WeakPolarHBondContact CA-O 3.45Å; V228-L233 VanDerWaalsContact CG2-O 3.25Å; V228-L233 WeakPolarHBondContact CG2-O 3.4Å; V228-L312 HydrophobicContact CG1-CD1 4.14Å; V228-L312 WeakPolarHBondContact O-CD1 3.46Å; V228-F315 HydrophobicContact CB-CZ 4.41Å; V228-F315 HydrophobicContact CG1-CD1 3.68Å; V228-F315 HydrophobicContact CG1-CD2 3.76Å; V228-F315 HydrophobicContact CG1-CE1 3.65Å; V228-F315 HydrophobicContact CG1-CE2 3.74Å; V228-F315 HydrophobicContact CG1-CG 3.74Å; V228-F315 HydrophobicContact CG1-CZ 3.68Å; V228-F315 HydrophobicContact CG2-CE2 3.96Å; V228-F315 HydrophobicContact CG2-CZ 4Å
229	M	94	Very high	94.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.5	-32.2	-179.7	-165.9	-172.5	-53.5	0	0	112.8	L122 F123 I126 C138 F141 M142 I145 I225 C226	L122-M229 HydrophobicContact CD2-CE 4.12Å; F123-M229 HydrophobicContact CZ-CB 4.13Å; I126-M229 HydrophobicContact CD1-CG 4.08Å; C138-M229 HydrophobicContact CB-CG 4.29Å; C138-M229 HydrophobicContact CB-SD 3.78Å; F141-M229 HydrophobicContact CB-CE 4.33Å; F141-M229 HydrophobicContact CB-SD 4.18Å; M142-M229 HydrophobicContact CG-CE 4.12Å; M142-M229 HydrophobicContact CG-SD 4.35Å; M142-M229 HydrophobicContact SD-CE 3.61Å; I145-M229 HydrophobicContact CD1-CE 4.36Å; I225-M229 HydrophobicContact CG2-CE 4.04Å; I225-M229 VanDerWaalsContact O-CB 3.28Å; I225-M229 WeakPolarHBondContact O-CB 3.23Å; I225-M229 PolarHBondContact O-N 3.46Å; C226-M229 PolarHBondContact O-N 2.84Å
230	L	93.4	Very high	94.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-90.8	-21.6	-178.4	-71.3	167.7	0	0	0	114.9	E135 C138 C226 Y227 V228 I263 A267 I271 W293 V307	E135-L230 HydrophobicContact CB-CD2 4.41Å; E135-L230 HydrophobicContact CG-CD2 3.96Å; C138-L230 HydrophobicContact CB-CD2 3.76Å; C138-L230 HydrophobicContact CB-CG 4.44Å; C226-L230 PolarHBondContact O-N 3.49Å; Y227-L230 PolarHBondContact O-N 3.14Å; V228-L230 PolarHBondContact O-N 2.96Å; L230-I263 HydrophobicContact CB-CD1 4.5Å; L230-I263 HydrophobicContact CD1-CG2 4.42Å; L230-I263 HydrophobicContact CD2-CD1 4.3Å; L230-A267 HydrophobicContact CD1-CB 3.96Å; L230-I271 HydrophobicContact CD1-CD1 4.09Å; L230-W293 HydrophobicContact CD1-CH2 4.02Å; L230-W293 HydrophobicContact CD1-CZ2 3.94Å; L230-W293 HydrophobicContact CD2-CZ2 4.12Å; L230-V307 HydrophobicContact CD2-CG2 4.44Å; L230-V307 WeakPolarHBondContact O-CG1 3.24Å
231	S	91.9	Very high	93.7	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-124.7	-22.2	-174.7	66.6	0	0	0	0	115	Y227 V228 L233 R311	Y227-S231 PolarHBondContact O-N 2.55Å; Y227-S231 PolarHBondContact O-OG 3.01Å; V228-S231 PolarHBondContact O-N 3Å; S231-L233 PolarHBondContact O-N 3.35Å; S231-L233 WeakPolarHBondContact OG-CB 3.25Å; S231-L233 PolarHBondContact OG-N 2.95Å; S231-R311 WeakPolarHBondContact O-CB 3.42Å
232	G	90.4	Very high	93.4	Very high	4 Å²	4	27 Å²	27	4%	0.041	16%	0.163	C	C	.	.	S	Bend	trans	68.9	4.9	-165.9	0	0	0	0	0	115.2	V228 R311	V228-G232 VanDerWaalsContact O-CA 3.28Å; V228-G232 WeakPolarHBondContact O-CA 3.35Å; V228-G232 PolarHBondContact O-N 2.73Å; G232-R311 CarbonylContact O-C 3.53Å
233	L	91.6	Very high	93.2	Very high	26 Å²	26	30.6 Å²	30.6	14%	0.136	18%	0.18	C	C	.	.			trans	-95.7	154.3	176.6	-57.1	175.8	0	0	0	110.1	Y227 V228 S231 Y257 E259 R311	Y227-L233 WeakPolarHBondContact CD1-O 3.2Å; Y227-L233 HydrophobicContact CE1-CB 3.88Å; V228-L233 WeakPolarHBondContact CA-O 3.45Å; V228-L233 VanDerWaalsContact CG2-O 3.25Å; V228-L233 WeakPolarHBondContact CG2-O 3.4Å; S231-L233 PolarHBondContact O-N 3.35Å; S231-L233 WeakPolarHBondContact OG-CB 3.25Å; S231-L233 PolarHBondContact OG-N 2.95Å; L233-Y257 HydrophobicContact CD1-CD1 3.86Å; L233-Y257 HydrophobicContact CD1-CD2 3.77Å; L233-Y257 HydrophobicContact CD1-CE1 4.38Å; L233-Y257 HydrophobicContact CD1-CE2 4.3Å; L233-Y257 HydrophobicContact CD1-CG 3.52Å; L233-E259 HydrophobicContact CD1-CB 4.43Å; L233-R311 HydrophobicContact CD2-CB 4.26Å; L233-R311 HydrophobicContact CD2-CG 3.82Å
234	S	92.2	Very high	92.9	Very high	21 Å²	21	30.8 Å²	30.8	15%	0.147	18%	0.181	C	C	.	.			trans	-98.7	127.3	170	-173.1	0	0	0	0	109	E201 F236	E201-S234 VanDerWaalsContact OE2-CB 3.31Å; E201-S234 WeakPolarHBondContact OE2-CB 3.2Å; E201-S234 PolarHBondContact OE2-OG 3.2Å; S234-F236 VanDerWaalsContact C-N 3.3Å; S234-F236 PolarHBondContact O-N 3Å
235	P	95.1	Very high	92.7	Very high	8 Å²	8	33.1 Å²	33.1	5%	0.052	19%	0.193	C	C	.	.	S	Bend	trans	-69.7	-24.3	-167.3	23.3	-29.7	0	0	0	114	V224 Y227 Y253 L275	V224-P235 HydrophobicContact CB-CG 4.44Å; V224-P235 HydrophobicContact CG1-CG 3.94Å; V224-P235 HydrophobicContact CG2-CG 4.3Å; Y227-P235 HydrophobicContact CD1-CB 3.68Å; Y227-P235 VanDerWaalsContact CD1-CD 3.5Å; Y227-P235 HydrophobicContact CD1-CG 3.84Å; Y227-P235 HydrophobicContact CD2-CB 4.04Å; Y227-P235 HydrophobicContact CE1-CB 3.68Å; Y227-P235 HydrophobicContact CE1-CG 4.27Å; Y227-P235 HydrophobicContact CE2-CB 4.05Å; Y227-P235 HydrophobicContact CG-CB 3.86Å; Y227-P235 HydrophobicContact CG-CG 4.04Å; P235-Y253 HydrophobicContact CB-CG 4.42Å; P235-Y253 VanDerWaalsContact O-CB 3.32Å; P235-Y253 WeakPolarHBondContact O-CB 3.47Å; P235-L275 HydrophobicContact CB-CD1 4.45Å; P235-L275 HydrophobicContact CG-CD1 4.49Å
236	F	95.7	Very high	92.6	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	21%	0.205	C	C	.	.	S	Bend	trans	-122.6	-6.3	-173.7	-54.5	-66.1	0	0	0	114.7	W220 V224 S234 G238 T244 N247 I248 Y253 L275	W220-F236 AromaticContact CE2-CE2 3.95Å; W220-F236 HydrophobicContact CH2-CE1 4.16Å; W220-F236 AromaticContact CH2-CE2 3.77Å; W220-F236 HydrophobicContact CH2-CE2 3.77Å; W220-F236 AromaticContact CH2-CZ 3.4Å; W220-F236 HydrophobicContact CH2-CZ 3.4Å; W220-F236 VanDerWaalsContact CH2-CZ 3.4Å; W220-F236 AromaticContact CZ2-CD2 3.97Å; W220-F236 HydrophobicContact CZ2-CD2 3.97Å; W220-F236 HydrophobicContact CZ2-CE1 4.26Å; W220-F236 AromaticContact CZ2-CE2 3.2Å; W220-F236 HydrophobicContact CZ2-CE2 3.2Å; W220-F236 AromaticContact CZ2-CZ 3.38Å; W220-F236 HydrophobicContact CZ2-CZ 3.38Å; W220-F236 HydrophobicContact CZ3-CZ 4.46Å; V224-F236 HydrophobicContact CG2-CD2 4.36Å; V224-F236 HydrophobicContact CG2-CE2 4.05Å; S234-F236 VanDerWaalsContact C-N 3.3Å; S234-F236 PolarHBondContact O-N 3Å; F236-G238 PolarHBondContact O-N 2.97Å; F236-T244 WeakPolarHBondContact O-CA 3.08Å; F236-N247 HydrophobicContact CB-CB 4.05Å; F236-N247 HydrophobicContact CD1-CB 4.28Å; F236-N247 WeakPolarHBondContact O-CB 3.36Å; F236-N247 PolarHBondContact O-ND2 3.15Å; F236-I248 HydrophobicContact CB-CD1 4.4Å; F236-I248 HydrophobicContact CB-CG1 3.59Å; F236-I248 HydrophobicContact CD1-CG1 4.31Å; F236-I248 HydrophobicContact CD2-CG1 3.89Å; F236-I248 HydrophobicContact CG-CG1 3.67Å; F236-Y253 AromaticContact CE1-CD1 3.7Å; F236-Y253 HydrophobicContact CE1-CD1 3.7Å; F236-Y253 HydrophobicContact CE1-CG 4.11Å; F236-Y253 AromaticContact CZ-CD1 3.87Å; F236-Y253 HydrophobicContact CZ-CD1 3.87Å; F236-Y253 HydrophobicContact CZ-CG 4.31Å; F236-L275 HydrophobicContact CE2-CD1 4.19Å; F236-L275 HydrophobicContact CE2-CD2 4.07Å; F236-L275 HydrophobicContact CZ-CD1 4.02Å; F236-L275 HydrophobicContact CZ-CD2 4.27Å
237	L	91	Very high	92.5	Very high	72 Å²	72	35.2 Å²	35.2	38%	0.377	21%	0.209	S	C	.	.			trans	-64	117.3	-175.9	-176.4	71.8	0	0	0	111.2	R318	L237-R318 VanDerWaalsContact CD2-CZ 3.49Å
238	G	89.7	Confident	92.5	Very high	17 Å²	17	35.2 Å²	35.2	18%	0.175	21%	0.209	C	C	.	.			trans	-101.1	-179.9	170	0	0	0	0	0	112.6	F236 S240 E243 T244	F236-G238 PolarHBondContact O-N 2.97Å; G238-S240 PolarHBondContact O-N 3.2Å; G238-S240 VanDerWaalsContact O-N 3.15Å; G238-E243 VanDerWaalsContact CA-OE2 3.3Å; G238-E243 WeakPolarHBondContact CA-OE2 3.45Å; G238-T244 PolarHBondContact N-OG1 3.01Å
239	D	88.9	Confident	92.4	Very high	172 Å²	172	38.2 Å²	38.2	92%	0.92	22%	0.224	S	C	*	.	S	Bend	trans	-67.6	-12.3	177	-73.4	-24.9	0	0	0	112.4	E243	D239-E243 PolarHBondContact N-OE2 2.92Å
240	S	88.9	Confident	92.5	Very high	63 Å²	63	47.3 Å²	47.3	44%	0.441	26%	0.258	S	S	.	.	S	Bend	trans	-138.3	160.1	175.2	69.9	0	0	0	0	112.7	G238 G242 E243 T244	G238-S240 PolarHBondContact O-N 3.2Å; G238-S240 VanDerWaalsContact O-N 3.15Å; S240-G242 VanDerWaalsContact C-N 3.26Å; S240-G242 PolarHBondContact O-N 3.36Å; S240-E243 PolarHBondContact O-N 3.4Å; S240-E243 WeakPolarHBondContact OG-CB 3.27Å; S240-E243 PolarHBondContact OG-N 3.22Å; S240-T244 WeakPolarHBondContact O-CB 3.19Å; S240-T244 PolarHBondContact O-N 3.35Å; S240-T244 PolarHBondContact O-OG1 3.44Å
241	Q	87	Confident	92.7	Very high	133 Å²	133	48.7 Å²	48.7	62%	0.621	27%	0.267	S	S	*	.	H	α-helix	trans	-60.1	-37.5	171.4	-172.1	-179.3	10.6	0	0	111.7	T244 L245	Q241-T244 PolarHBondContact O-N 2.99Å; Q241-L245 HydrophobicContact CG-CD1 4.3Å; Q241-L245 VanDerWaalsContact O-CG 3.29Å; Q241-L245 WeakPolarHBondContact O-CG 3.36Å; Q241-L245 PolarHBondContact O-N 2.96Å
242	G	91.6	Very high	92.9	Very high	49 Å²	49	54.7 Å²	54.7	51%	0.505	29%	0.293	S	S	.	.	H	α-helix	trans	-65.2	-41.3	177.6	0	0	0	0	0	112.8	S240 A246	S240-G242 VanDerWaalsContact C-N 3.26Å; S240-G242 PolarHBondContact O-N 3.36Å; G242-A246 WeakPolarHBondContact O-CB 3.23Å; G242-A246 PolarHBondContact O-N 3Å
243	E	93.8	Very high	93.2	Very high	75 Å²	75	56.7 Å²	56.7	35%	0.35	30%	0.3	S	S	.	.	H	α-helix	trans	-66.2	-42.2	172.4	-174.2	-179.1	-163.2	0	0	111.6	G238 D239 S240 L245 A246 N247	G238-E243 VanDerWaalsContact CA-OE2 3.3Å; G238-E243 WeakPolarHBondContact CA-OE2 3.45Å; D239-E243 PolarHBondContact N-OE2 2.92Å; S240-E243 PolarHBondContact O-N 3.4Å; S240-E243 WeakPolarHBondContact OG-CB 3.27Å; S240-E243 PolarHBondContact OG-N 3.22Å; E243-L245 VanDerWaalsContact C-N 3.35Å; E243-L245 PolarHBondContact O-N 3.31Å; E243-A246 CarbonylContact O-C 3.57Å; E243-A246 PolarHBondContact O-N 3.41Å; E243-A246 VanDerWaalsContact O-N 3.11Å; E243-N247 VanDerWaalsContact O-CG 3.26Å; E243-N247 PolarHBondContact O-N 3.21Å; E243-N247 PolarHBondContact O-ND2 3.42Å
244	T	93	Very high	93.4	Very high	5 Å²	5	58.1 Å²	58.1	3%	0.031	31%	0.307	C	S	.	.	H	α-helix	trans	-58	-46.8	177.4	-57.2	0	0	0	0	111.3	E201 F236 G238 S240 Q241 N247 I248	E201-T244 HydrophobicContact CB-CG2 4.07Å; F236-T244 WeakPolarHBondContact O-CA 3.08Å; G238-T244 PolarHBondContact N-OG1 3.01Å; S240-T244 WeakPolarHBondContact O-CB 3.19Å; S240-T244 PolarHBondContact O-N 3.35Å; S240-T244 PolarHBondContact O-OG1 3.44Å; Q241-T244 PolarHBondContact O-N 2.99Å; T244-N247 PolarHBondContact O-N 2.71Å; T244-I248 HydrophobicContact CG2-CD1 4.33Å; T244-I248 WeakPolarHBondContact O-CG1 3.43Å; T244-I248 PolarHBondContact O-N 3.47Å; T244-I248 VanDerWaalsContact O-N 3.13Å
245	L	92.6	Very high	93.6	Very high	49 Å²	49	58.2 Å²	58.2	26%	0.257	31%	0.305	S	S	.	.	H	α-helix	trans	-63.4	-41.7	174.4	-66.7	170.2	0	0	0	111.7	P200 I208 Q241 E243 N247 I248 I249	P200-L245 HydrophobicContact CB-CD2 4.13Å; I208-L245 HydrophobicContact CD1-CD2 3.68Å; I208-L245 HydrophobicContact CG1-CD2 3.82Å; I208-L245 HydrophobicContact CG2-CD2 3.94Å; Q241-L245 HydrophobicContact CG-CD1 4.3Å; Q241-L245 VanDerWaalsContact O-CG 3.29Å; Q241-L245 WeakPolarHBondContact O-CG 3.36Å; Q241-L245 PolarHBondContact O-N 2.96Å; E243-L245 VanDerWaalsContact C-N 3.35Å; E243-L245 PolarHBondContact O-N 3.31Å; L245-N247 VanDerWaalsContact C-N 3.34Å; L245-N247 PolarHBondContact O-N 2.85Å; L245-I248 PolarHBondContact O-N 3.47Å; L245-I249 WeakPolarHBondContact O-CD1 3.15Å; L245-I249 VanDerWaalsContact O-CG1 3.24Å; L245-I249 WeakPolarHBondContact O-CG1 3.48Å; L245-I249 PolarHBondContact O-N 3.43Å
246	A	94.6	Very high	93.5	Very high	30 Å²	30	64.1 Å²	64.1	25%	0.248	34%	0.336	C	S	.	.	H	α-helix	trans	-64.5	-36.3	177.4	0	0	0	0	0	112.9	G242 E243 R250	G242-A246 WeakPolarHBondContact O-CB 3.23Å; G242-A246 PolarHBondContact O-N 3Å; E243-A246 CarbonylContact O-C 3.57Å; E243-A246 PolarHBondContact O-N 3.41Å; E243-A246 VanDerWaalsContact O-N 3.11Å; A246-R250 VanDerWaalsContact O-CB 3.27Å; A246-R250 WeakPolarHBondContact O-CB 3.15Å; A246-R250 WeakPolarHBondContact O-CD 3.49Å; A246-R250 WeakPolarHBondContact O-CG 3.48Å; A246-R250 PolarHBondContact O-N 3.03Å; A246-R250 VanDerWaalsContact O-N 3.14Å
247	N	96.1	Very high	93.3	Very high	14 Å²	14	68.9 Å²	68.9	8%	0.075	36%	0.355	C	S	.	.	H	α-helix	trans	-64.9	-42.8	174.3	-69.8	-23.3	0	0	0	110.8	F236 E243 T244 L245 R250 V251 K252	F236-N247 HydrophobicContact CB-CB 4.05Å; F236-N247 HydrophobicContact CD1-CB 4.28Å; F236-N247 WeakPolarHBondContact O-CB 3.36Å; F236-N247 PolarHBondContact O-ND2 3.15Å; E243-N247 VanDerWaalsContact O-CG 3.26Å; E243-N247 PolarHBondContact O-N 3.21Å; E243-N247 PolarHBondContact O-ND2 3.42Å; T244-N247 PolarHBondContact O-N 2.71Å; L245-N247 VanDerWaalsContact C-N 3.34Å; L245-N247 PolarHBondContact O-N 2.85Å; N247-R250 PolarHBondContact O-N 3.46Å; N247-V251 CarbonylContact O-C 3.54Å; N247-V251 WeakPolarHBondContact O-CA 3.28Å; N247-V251 PolarHBondContact O-N 2.94Å; N247-K252 PolarHBondContact O-N 2.75Å
248	I	95.9	Very high	93.3	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-65.4	-50.9	176.9	-63.2	161.8	0	0	0	111.5	P200 P205 I208 W220 F236 T244 L245 R250 V251	P200-I248 WeakPolarHBondContact O-CD1 3.16Å; P205-I248 HydrophobicContact CB-CG2 4.4Å; P205-I248 HydrophobicContact CG-CG2 3.88Å; I208-I248 HydrophobicContact CD1-CB 3.9Å; I208-I248 HydrophobicContact CD1-CD1 3.67Å; I208-I248 HydrophobicContact CD1-CG1 4.39Å; I208-I248 HydrophobicContact CD1-CG2 3.51Å; W220-I248 HydrophobicContact CH2-CG2 4.4Å; W220-I248 HydrophobicContact CZ2-CG2 3.73Å; F236-I248 HydrophobicContact CB-CD1 4.4Å; F236-I248 HydrophobicContact CB-CG1 3.59Å; F236-I248 HydrophobicContact CD1-CG1 4.31Å; F236-I248 HydrophobicContact CD2-CG1 3.89Å; F236-I248 HydrophobicContact CG-CG1 3.67Å; T244-I248 HydrophobicContact CG2-CD1 4.33Å; T244-I248 WeakPolarHBondContact O-CG1 3.43Å; T244-I248 PolarHBondContact O-N 3.47Å; T244-I248 VanDerWaalsContact O-N 3.13Å; L245-I248 PolarHBondContact O-N 3.47Å; I248-R250 PolarHBondContact O-N 3.04Å; I248-R250 VanDerWaalsContact O-N 3.16Å; I248-V251 WeakPolarHBondContact O-CG2 3.29Å; I248-V251 PolarHBondContact O-N 2.85Å
249	I	93.8	Very high	93.3	Very high	64 Å²	64	71.5 Å²	71.5	33%	0.328	37%	0.369	S	S	.	.	H	α-helix	trans	-59.4	-31.1	-179.1	-66.1	162.5	0	0	0	111.7	I208 L245 K277	I208-I249 HydrophobicContact CG2-CD1 3.71Å; I208-I249 HydrophobicContact CG2-CG1 3.76Å; L245-I249 WeakPolarHBondContact O-CD1 3.15Å; L245-I249 VanDerWaalsContact O-CG1 3.24Å; L245-I249 WeakPolarHBondContact O-CG1 3.48Å; L245-I249 PolarHBondContact O-N 3.43Å; I249-K277 PolarHBondContact O-NZ 2.9Å
250	R	95.9	Very high	93.5	Very high	190 Å²	190	63.6 Å²	63.6	72%	0.717	33%	0.326	S	S	*	.	H	α-helix	trans	-90.8	-8.1	176.6	-66.7	172.6	177.2	175.3	-2.1	113.8	A246 N247 I248 K252	A246-R250 VanDerWaalsContact O-CB 3.27Å; A246-R250 WeakPolarHBondContact O-CB 3.15Å; A246-R250 WeakPolarHBondContact O-CD 3.49Å; A246-R250 WeakPolarHBondContact O-CG 3.48Å; A246-R250 PolarHBondContact O-N 3.03Å; A246-R250 VanDerWaalsContact O-N 3.14Å; N247-R250 PolarHBondContact O-N 3.46Å; I248-R250 PolarHBondContact O-N 3.04Å; I248-R250 VanDerWaalsContact O-N 3.16Å; R250-K252 HydrophobicContact CB-CB 4.35Å; R250-K252 PolarHBondContact O-N 3.27Å
251	V	96.7	Very high	93.5	Very high	29 Å²	29	64.7 Å²	64.7	18%	0.176	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	43.8	-170.5	-168.7	0	0	0	0	111.3	P205 W220 N247 I248 Y253 L275 K277	P205-V251 HydrophobicContact CG-CG2 4.23Å; W220-V251 HydrophobicContact CH2-CG1 4.08Å; W220-V251 HydrophobicContact CH2-CG2 3.95Å; W220-V251 HydrophobicContact CZ3-CG1 4.19Å; W220-V251 HydrophobicContact CZ3-CG2 4.12Å; N247-V251 CarbonylContact O-C 3.54Å; N247-V251 WeakPolarHBondContact O-CA 3.28Å; N247-V251 PolarHBondContact O-N 2.94Å; I248-V251 WeakPolarHBondContact O-CG2 3.29Å; I248-V251 PolarHBondContact O-N 2.85Å; V251-Y253 HydrophobicContact CG1-CD1 4.12Å; V251-Y253 HydrophobicContact CG1-CE1 3.89Å; V251-Y253 PolarHBondContact O-N 2.9Å; V251-L275 WeakPolarHBondContact CG1-O 3.49Å; V251-K277 HydrophobicContact CG2-CB 3.65Å; V251-K277 HydrophobicContact CG2-CD 4.34Å; V251-K277 HydrophobicContact CG2-CG 4.09Å
252	K	96.5	Very high	93.5	Very high	126 Å²	126	63.1 Å²	63.1	55%	0.548	33%	0.332	S	S	.	.			trans	-86.9	95.4	-179.8	-175	-164	166.3	-157.1	0	110	N247 R250	N247-K252 PolarHBondContact O-N 2.75Å; R250-K252 HydrophobicContact CB-CB 4.35Å; R250-K252 PolarHBondContact O-N 3.27Å
253	Y	96.6	Very high	93.5	Very high	47 Å²	47	61.3 Å²	61.3	18%	0.184	31%	0.311	C	S	.	.			trans	-144.1	166.3	165.5	76	-75.5	0	0	0	108.5	Y227 P235 F236 V251 F255 I271 R272 L275	Y227-Y253 HydrophobicContact CD2-CD2 4.38Å; Y227-Y253 HydrophobicContact CE2-CD2 4.05Å; P235-Y253 HydrophobicContact CB-CG 4.42Å; P235-Y253 VanDerWaalsContact O-CB 3.32Å; P235-Y253 WeakPolarHBondContact O-CB 3.47Å; F236-Y253 AromaticContact CE1-CD1 3.7Å; F236-Y253 HydrophobicContact CE1-CD1 3.7Å; F236-Y253 HydrophobicContact CE1-CG 4.11Å; F236-Y253 AromaticContact CZ-CD1 3.87Å; F236-Y253 HydrophobicContact CZ-CD1 3.87Å; F236-Y253 HydrophobicContact CZ-CG 4.31Å; V251-Y253 HydrophobicContact CG1-CD1 4.12Å; V251-Y253 HydrophobicContact CG1-CE1 3.89Å; V251-Y253 PolarHBondContact O-N 2.9Å; Y253-F255 HydrophobicContact CE2-CE1 4.43Å; Y253-F255 AromaticContact CE2-CE2 3.76Å; Y253-F255 HydrophobicContact CE2-CE2 3.76Å; Y253-F255 AromaticContact CE2-CZ 3.7Å; Y253-F255 HydrophobicContact CE2-CZ 3.7Å; Y253-I271 HydrophobicContact CE2-CG2 4.21Å; Y253-R272 WeakPolarHBondContact OH-CA 3.32Å; Y253-L275 HydrophobicContact CD1-CB 4.5Å; Y253-L275 HydrophobicContact CD1-CD1 4.33Å; Y253-L275 HydrophobicContact CD2-CD1 4.21Å; Y253-L275 HydrophobicContact CE1-CB 3.7Å; Y253-L275 HydrophobicContact CE1-CD1 4.11Å; Y253-L275 HydrophobicContact CE2-CD1 3.98Å; Y253-L275 HydrophobicContact CG-CD1 4.38Å
254	N	95.7	Very high	93.5	Very high	56 Å²	56	59.1 Å²	59.1	30%	0.299	30%	0.304	S	S	.	.			trans	-147	-175	173	63.3	-2.2	0	0	0	110.2	Y227 D256 Y257	Y227-N254 PolarHBondContact OH-O 3.35Å; N254-D256 WeakPolarHBondContact CB-OD2 3.32Å; N254-D256 WeakPolarHBondContact ND2-CB 3.32Å; N254-D256 PolarHBondContact ND2-OD2 3.01Å; N254-Y257 WeakPolarHBondContact OD1-CE2 3.28Å
255	F	96.1	Very high	93.5	Very high	23 Å²	23	64.6 Å²	64.6	10%	0.101	33%	0.333	C	S	.	.			trans	-116.8	15.5	175.1	-59.7	-84.3	0	0	0	111.6	Y227 Y253 Y257 F260 M268 I271 R272	Y227-F255 HydrophobicContact CD2-CE1 4.19Å; Y227-F255 HydrophobicContact CE2-CD1 4.32Å; Y227-F255 HydrophobicContact CE2-CE1 4.29Å; Y253-F255 HydrophobicContact CE2-CE1 4.43Å; Y253-F255 AromaticContact CE2-CE2 3.76Å; Y253-F255 HydrophobicContact CE2-CE2 3.76Å; Y253-F255 AromaticContact CE2-CZ 3.7Å; Y253-F255 HydrophobicContact CE2-CZ 3.7Å; F255-Y257 PolarHBondContact O-N 3.45Å; F255-F260 HydrophobicContact CB-CB 4.38Å; F255-F260 HydrophobicContact CB-CD2 4.27Å; F255-F260 HydrophobicContact CB-CG 4.22Å; F255-F260 AromaticContact CD1-CD1 3.81Å; F255-F260 HydrophobicContact CD1-CD1 3.81Å; F255-F260 HydrophobicContact CD1-CD2 4.14Å; F255-F260 AromaticContact CD1-CE1 3.72Å; F255-F260 HydrophobicContact CD1-CE1 3.72Å; F255-F260 HydrophobicContact CD1-CE2 4.05Å; F255-F260 HydrophobicContact CD1-CG 4.04Å; F255-F260 AromaticContact CD1-CZ 3.84Å; F255-F260 HydrophobicContact CD1-CZ 3.84Å; F255-F260 HydrophobicContact CE1-CE1 4.1Å; F255-F260 HydrophobicContact CE1-CZ 4.25Å; F255-F260 WeakPolarHBondContact O-CB 3.42Å; F255-M268 HydrophobicContact CB-SD 3.65Å; F255-M268 HydrophobicContact CD1-CB 4.12Å; F255-M268 HydrophobicContact CD1-CG 3.6Å; F255-M268 HydrophobicContact CD1-SD 3.79Å; F255-M268 HydrophobicContact CD2-CB 4.49Å; F255-M268 HydrophobicContact CD2-SD 4.31Å; F255-M268 HydrophobicContact CE1-CB 3.88Å; F255-M268 HydrophobicContact CE1-CG 3.77Å; F255-M268 HydrophobicContact CE1-SD 4.49Å; F255-M268 HydrophobicContact CE2-CB 4.27Å; F255-M268 HydrophobicContact CG-CB 4.4Å; F255-M268 HydrophobicContact CG-CG 4.03Å; F255-M268 HydrophobicContact CG-SD 3.66Å; F255-M268 HydrophobicContact CZ-CB 3.94Å; F255-M268 HydrophobicContact CZ-CG 4.32Å; F255-M268 WeakPolarHBondContact CZ-O 3.1Å; F255-I271 HydrophobicContact CE1-CB 4.24Å; F255-I271 HydrophobicContact CE1-CD1 4.06Å; F255-I271 HydrophobicContact CE1-CG2 4.12Å; F255-I271 HydrophobicContact CZ-CB 4.03Å; F255-I271 HydrophobicContact CZ-CG2 3.87Å; F255-R272 HydrophobicContact CE2-CG 3.74Å; F255-R272 HydrophobicContact CZ-CG 4.09Å
256	D	93.8	Very high	93.6	Very high	132 Å²	132	65 Å²	65	71%	0.706	34%	0.335	S	S	*	.			trans	-84.8	45.1	-167.9	-45.1	-32.9	0	0	0	111.2	N254	N254-D256 WeakPolarHBondContact CB-OD2 3.32Å; N254-D256 WeakPolarHBondContact ND2-CB 3.32Å; N254-D256 PolarHBondContact ND2-OD2 3.01Å
257	Y	91.4	Very high	93.7	Very high	100 Å²	100	63.6 Å²	63.6	39%	0.392	32%	0.324	S	S	.	.	S	Bend	trans	-121.3	145.2	-178.6	-58.3	-76.8	0	0	0	109.7	Y227 L233 N254 F255 E259 F260	Y227-Y257 VanDerWaalsContact OH-CE2 3.23Å; Y227-Y257 WeakPolarHBondContact OH-CE2 3.35Å; L233-Y257 HydrophobicContact CD1-CD1 3.86Å; L233-Y257 HydrophobicContact CD1-CD2 3.77Å; L233-Y257 HydrophobicContact CD1-CE1 4.38Å; L233-Y257 HydrophobicContact CD1-CE2 4.3Å; L233-Y257 HydrophobicContact CD1-CG 3.52Å; N254-Y257 WeakPolarHBondContact OD1-CE2 3.28Å; F255-Y257 PolarHBondContact O-N 3.45Å; Y257-E259 PolarHBondContact O-N 3.34Å; Y257-E259 VanDerWaalsContact O-N 3.09Å; Y257-F260 HydrophobicContact CD2-CD2 4.24Å; Y257-F260 HydrophobicContact CD2-CE2 4.38Å; Y257-F260 PolarHBondContact O-N 2.95Å
258	T	91.4	Very high	93.7	Very high	120 Å²	120	63.9 Å²	63.9	74%	0.736	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-57.2	-28	177.8	47.6	0	0	0	0	113.1	F260 A261	T258-F260 PolarHBondContact O-N 2.82Å; T258-A261 WeakPolarHBondContact O-CB 3.44Å; T258-A261 PolarHBondContact O-N 3.3Å
259	E	90.1	Very high	93.8	Very high	24 Å²	24	66.1 Å²	66.1	11%	0.112	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-67	-17	176.7	-66.2	84.9	164	0	0	113.8	L233 Y257 R311	L233-E259 HydrophobicContact CD1-CB 4.43Å; Y257-E259 PolarHBondContact O-N 3.34Å; Y257-E259 VanDerWaalsContact O-N 3.09Å; E259-R311 HydrophobicContact CG-CG 3.94Å; E259-R311 VanDerWaalsContact OE1-CG 3.27Å; E259-R311 WeakPolarHBondContact OE1-CG 3.05Å; E259-R311 IonicContact OE1-CZ 3.03Å; E259-R311 VanDerWaalsContact OE1-CZ 3.3Å; E259-R311 IonicContact OE1-NE 2.6Å; E259-R311 PolarHBondContact OE1-NE 2.94Å; E259-R311 IonicContact OE1-NH2 2.68Å; E259-R311 PolarHBondContact OE1-NH2 2.86Å
260	F	91.7	Very high	94	Very high	6 Å²	6	63 Å²	63	3%	0.026	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-97.8	-6.3	172.8	-77.2	-73.3	0	0	0	114.1	Y227 F255 Y257 T258 E262 I263 M268	Y227-F260 HydrophobicContact CD1-CZ 4.37Å; Y227-F260 HydrophobicContact CD2-CE2 4.17Å; Y227-F260 AromaticContact CD2-CZ 3.59Å; Y227-F260 HydrophobicContact CD2-CZ 3.59Å; Y227-F260 HydrophobicContact CE1-CE2 4.21Å; Y227-F260 HydrophobicContact CE1-CZ 4.26Å; Y227-F260 AromaticContact CE2-CE2 3.52Å; Y227-F260 HydrophobicContact CE2-CE2 3.52Å; Y227-F260 AromaticContact CE2-CZ 3.45Å; Y227-F260 HydrophobicContact CE2-CZ 3.45Å; Y227-F260 VanDerWaalsContact CE2-CZ 3.45Å; Y227-F260 HydrophobicContact CG-CZ 4.07Å; Y227-F260 AromaticContact CZ-CE2 3.56Å; Y227-F260 AromaticContact CZ-CZ 3.82Å; F255-F260 HydrophobicContact CB-CB 4.38Å; F255-F260 HydrophobicContact CB-CD2 4.27Å; F255-F260 HydrophobicContact CB-CG 4.22Å; F255-F260 AromaticContact CD1-CD1 3.81Å; F255-F260 HydrophobicContact CD1-CD1 3.81Å; F255-F260 HydrophobicContact CD1-CD2 4.14Å; F255-F260 AromaticContact CD1-CE1 3.72Å; F255-F260 HydrophobicContact CD1-CE1 3.72Å; F255-F260 HydrophobicContact CD1-CE2 4.05Å; F255-F260 HydrophobicContact CD1-CG 4.04Å; F255-F260 AromaticContact CD1-CZ 3.84Å; F255-F260 HydrophobicContact CD1-CZ 3.84Å; F255-F260 HydrophobicContact CE1-CE1 4.1Å; F255-F260 HydrophobicContact CE1-CZ 4.25Å; F255-F260 WeakPolarHBondContact O-CB 3.42Å; Y257-F260 HydrophobicContact CD2-CD2 4.24Å; Y257-F260 HydrophobicContact CD2-CE2 4.38Å; Y257-F260 PolarHBondContact O-N 2.95Å; T258-F260 PolarHBondContact O-N 2.82Å; F260-E262 PolarHBondContact O-N 2.72Å; F260-E262 VanDerWaalsContact O-N 3.14Å; F260-I263 HydrophobicContact CD1-CB 4.02Å; F260-I263 HydrophobicContact CD1-CG1 4.02Å; F260-I263 HydrophobicContact CD1-CG2 4.09Å; F260-I263 PolarHBondContact O-N 3.01Å; F260-M268 HydrophobicContact CD1-CG 4.31Å
261	A	89.8	Confident	94.1	Very high	87 Å²	87	54 Å²	54	72%	0.719	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-22.2	-173.5	0	0	0	0	0	114.7	T258	T258-A261 WeakPolarHBondContact O-CB 3.44Å; T258-A261 PolarHBondContact O-N 3.3Å
262	E	87.2	Confident	94.2	Very high	100 Å²	100	57.6 Å²	57.6	47%	0.467	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-3.2	173.5	-58.7	-158.6	143.5	0	0	114.3	F260 G305 T306	F260-E262 PolarHBondContact O-N 2.72Å; F260-E262 VanDerWaalsContact O-N 3.14Å; E262-G305 WeakPolarHBondContact O-CA 3.5Å; E262-T306 WeakPolarHBondContact OE2-CB 3.31Å; E262-T306 PolarHBondContact OE2-N 3.04Å; E262-T306 PolarHBondContact OE2-OG1 2.84Å
263	I	91.2	Very high	94.3	Very high	11 Å²	11	55.5 Å²	55.5	6%	0.056	29%	0.288	C	S	.	.	S	Bend	trans	-86.2	141.3	-173.5	-57.9	-59.7	0	0	0	110	L230 F260 A267 M268 V307	L230-I263 HydrophobicContact CB-CD1 4.5Å; L230-I263 HydrophobicContact CD1-CG2 4.42Å; L230-I263 HydrophobicContact CD2-CD1 4.3Å; F260-I263 HydrophobicContact CD1-CB 4.02Å; F260-I263 HydrophobicContact CD1-CG1 4.02Å; F260-I263 HydrophobicContact CD1-CG2 4.09Å; F260-I263 PolarHBondContact O-N 3.01Å; I263-A267 HydrophobicContact CG2-CB 3.72Å; I263-M268 HydrophobicContact CG2-CG 4.47Å; I263-V307 HydrophobicContact CD1-CG2 4.21Å
264	S	93	Very high	94.4	Very high	28 Å²	28	53.3 Å²	53.3	20%	0.196	28%	0.279	C	S	.	.			trans	-69.6	153	-174.4	79.9	0	0	0	0	113.9	E135 D266 A267 M268	E135-S264 VanDerWaalsContact OE1-CB 3.23Å; E135-S264 WeakPolarHBondContact OE1-CB 3.45Å; E135-S264 PolarHBondContact OE1-OG 2.92Å; E135-S264 WeakPolarHBondContact OE2-CB 3.3Å; E135-S264 PolarHBondContact OE2-N 2.7Å; E135-S264 PolarHBondContact OE2-OG 3.19Å; S264-D266 PolarHBondContact O-N 3.3Å; S264-A267 WeakPolarHBondContact O-CB 3.5Å; S264-A267 PolarHBondContact O-N 2.81Å; S264-A267 PolarHBondContact OG-N 2.88Å; S264-A267 VanDerWaalsContact OG-N 3.11Å; S264-M268 PolarHBondContact O-N 3.15Å; S264-M268 VanDerWaalsContact O-N 3.12Å
265	N	93.9	Very high	94.5	Very high	120 Å²	120	50.8 Å²	50.8	64%	0.642	27%	0.266	S	S	*	.	H	α-helix	trans	-59.9	-35.4	171.4	-76.9	-27.4	0	0	0	112	A267 M268 D269	N265-A267 VanDerWaalsContact C-N 3.35Å; N265-A267 PolarHBondContact O-N 2.92Å; N265-M268 PolarHBondContact O-N 2.87Å; N265-M268 WeakPolarHBondContact OD1-CE 3.26Å; N265-D269 VanDerWaalsContact O-CB 3.24Å; N265-D269 WeakPolarHBondContact O-CB 3.46Å; N265-D269 PolarHBondContact O-N 3.22Å
266	D	95.1	Very high	94.6	Very high	59 Å²	59	51.5 Å²	51.5	32%	0.316	27%	0.272	S	S	.	.	H	α-helix	trans	-60.3	-43.3	175.1	-65.8	3.4	0	0	0	111.2	S264 D269 F270 H291 W293 Q296	S264-D266 PolarHBondContact O-N 3.3Å; D266-D269 PolarHBondContact O-N 3.38Å; D266-F270 WeakPolarHBondContact O-CB 3.28Å; D266-F270 PolarHBondContact O-N 2.9Å; D266-H291 PolarHBondContact O-CE1 3.45Å; D266-W293 HydrophobicContact CB-CB 3.89Å; D266-W293 HydrophobicContact CB-CG 4.27Å; D266-Q296 PolarHBondContact OD2-NE2 2.61Å
267	A	95.5	Very high	94.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66	-43.2	178.3	0	0	0	0	0	112.1	L230 I263 S264 N265 F270 I271 W293	L230-A267 HydrophobicContact CD1-CB 3.96Å; I263-A267 HydrophobicContact CG2-CB 3.72Å; S264-A267 WeakPolarHBondContact O-CB 3.5Å; S264-A267 PolarHBondContact O-N 2.81Å; S264-A267 PolarHBondContact OG-N 2.88Å; S264-A267 VanDerWaalsContact OG-N 3.11Å; N265-A267 VanDerWaalsContact C-N 3.35Å; N265-A267 PolarHBondContact O-N 2.92Å; A267-F270 WeakPolarHBondContact O-CB 3.39Å; A267-F270 PolarHBondContact O-N 3.34Å; A267-I271 WeakPolarHBondContact O-CG1 3.48Å; A267-I271 PolarHBondContact O-N 2.84Å; A267-I271 VanDerWaalsContact O-N 3.13Å; A267-W293 HydrophobicContact CB-CD2 4.13Å; A267-W293 HydrophobicContact CB-CG 4.25Å; A267-W293 HydrophobicContact CB-CZ2 4.15Å
268	M	96.7	Very high	95	Very high	19 Å²	19	47.2 Å²	47.2	9%	0.094	25%	0.251	C	S	.	.	H	α-helix	trans	-67.8	-38.1	176.2	-66.3	-172.2	-89.6	0	0	111.9	F255 F260 I263 S264 N265 I271 R272	F255-M268 HydrophobicContact CB-SD 3.65Å; F255-M268 HydrophobicContact CD1-CB 4.12Å; F255-M268 HydrophobicContact CD1-CG 3.6Å; F255-M268 HydrophobicContact CD1-SD 3.79Å; F255-M268 HydrophobicContact CD2-CB 4.49Å; F255-M268 HydrophobicContact CD2-SD 4.31Å; F255-M268 HydrophobicContact CE1-CB 3.88Å; F255-M268 HydrophobicContact CE1-CG 3.77Å; F255-M268 HydrophobicContact CE1-SD 4.49Å; F255-M268 HydrophobicContact CE2-CB 4.27Å; F255-M268 HydrophobicContact CG-CB 4.4Å; F255-M268 HydrophobicContact CG-CG 4.03Å; F255-M268 HydrophobicContact CG-SD 3.66Å; F255-M268 HydrophobicContact CZ-CB 3.94Å; F255-M268 HydrophobicContact CZ-CG 4.32Å; F255-M268 WeakPolarHBondContact CZ-O 3.1Å; F260-M268 HydrophobicContact CD1-CG 4.31Å; I263-M268 HydrophobicContact CG2-CG 4.47Å; S264-M268 PolarHBondContact O-N 3.15Å; S264-M268 VanDerWaalsContact O-N 3.12Å; N265-M268 PolarHBondContact O-N 2.87Å; N265-M268 WeakPolarHBondContact OD1-CE 3.26Å; M268-I271 PolarHBondContact O-N 3.11Å; M268-R272 VanDerWaalsContact O-CG 3.28Å; M268-R272 WeakPolarHBondContact O-CG 3.43Å; M268-R272 PolarHBondContact O-N 3.08Å
269	D	97.7	Very high	95.2	Very high	47 Å²	47	42.9 Å²	42.9	25%	0.251	23%	0.225	S	C	.	.	H	α-helix	trans	-65.2	-41.2	174.1	176.4	62.2	0	0	0	112.4	N265 D266 I271 R272 K273 H291	N265-D269 VanDerWaalsContact O-CB 3.24Å; N265-D269 WeakPolarHBondContact O-CB 3.46Å; N265-D269 PolarHBondContact O-N 3.22Å; D266-D269 PolarHBondContact O-N 3.38Å; D269-I271 VanDerWaalsContact C-N 3.32Å; D269-I271 PolarHBondContact O-N 3.4Å; D269-R272 PolarHBondContact O-N 3.37Å; D269-K273 VanDerWaalsContact CG-NZ 3.34Å; D269-K273 WeakPolarHBondContact O-CG 3.3Å; D269-K273 PolarHBondContact O-N 3.32Å; D269-K273 WeakPolarHBondContact OD1-CE 3.23Å; D269-K273 IonicContact OD1-NZ 3.12Å; D269-K273 PolarHBondContact OD1-NZ 2.94Å; D269-K273 WeakPolarHBondContact OD2-CE 3.26Å; D269-K273 IonicContact OD2-NZ 3.76Å; D269-K273 PolarHBondContact OD2-NZ 2.87Å; D269-H291 IonicContact OD1-NE2 3.55Å; D269-H291 IonicContact OD2-CE1 2.65Å; D269-H291 PolarHBondContact OD2-CE1 3.43Å; D269-H291 IonicContact OD2-NE2 2.72Å; D269-H291 PolarHBondContact OD2-NE2 3.41Å
270	F	98.3	Very high	95.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-55.6	-46.1	171.6	177.8	-95.2	0	0	0	111.7	M142 L146 C226 D266 A267 K273 L274 M283 C288 H291 W293 L294	M142-F270 HydrophobicContact CE-CE1 4.22Å; M142-F270 HydrophobicContact CE-CZ 4.42Å; L146-F270 HydrophobicContact CD1-CE2 4.47Å; L146-F270 HydrophobicContact CD1-CZ 4.09Å; C226-F270 HydrophobicContact CB-CE1 4.27Å; D266-F270 WeakPolarHBondContact O-CB 3.28Å; D266-F270 PolarHBondContact O-N 2.9Å; A267-F270 WeakPolarHBondContact O-CB 3.39Å; A267-F270 PolarHBondContact O-N 3.34Å; F270-K273 PolarHBondContact O-N 2.9Å; F270-L274 HydrophobicContact CD1-CD1 4.12Å; F270-L274 HydrophobicContact CE1-CD1 3.47Å; F270-L274 VanDerWaalsContact CE1-CD1 3.47Å; F270-L274 HydrophobicContact CE2-CD1 4.4Å; F270-L274 HydrophobicContact CZ-CD1 3.63Å; F270-L274 PolarHBondContact O-N 2.9Å; F270-M283 HydrophobicContact CD2-CE 3.84Å; F270-M283 HydrophobicContact CE2-CE 4.11Å; F270-C288 HydrophobicContact CE2-CB 3.69Å; F270-C288 HydrophobicContact CZ-CB 4.11Å; F270-H291 HydrophobicContact CD2-CB 3.92Å; F270-H291 AromaticContact CD2-CG 3.8Å; F270-H291 AromaticContact CD2-ND1 3.88Å; F270-H291 HydrophobicContact CE2-CB 4.41Å; F270-H291 PolarHBondContact N-CE1 3.49Å; F270-H291 VanDerWaalsContact N-CE1 3.32Å; F270-W293 HydrophobicContact CB-CB 4.25Å; F270-W293 HydrophobicContact CB-CD2 4.44Å; F270-W293 HydrophobicContact CB-CE3 4Å; F270-W293 AromaticContact CD1-CE3 3.58Å; F270-W293 HydrophobicContact CD1-CE3 3.58Å; F270-W293 AromaticContact CD1-CZ3 3.73Å; F270-W293 HydrophobicContact CD1-CZ3 3.73Å; F270-W293 HydrophobicContact CD2-CE3 4.12Å; F270-W293 HydrophobicContact CE1-CE3 4.07Å; F270-W293 AromaticContact CE1-CZ3 3.91Å; F270-W293 HydrophobicContact CE1-CZ3 3.91Å; F270-W293 AromaticContact CG-CE3 3.62Å; F270-W293 HydrophobicContact CG-CE3 3.62Å; F270-W293 HydrophobicContact CG-CZ3 4.25Å; F270-L294 HydrophobicContact CD2-CD1 3.7Å; F270-L294 HydrophobicContact CE2-CD1 3.41Å; F270-L294 VanDerWaalsContact CE2-CD1 3.41Å; F270-L294 HydrophobicContact CG-CD1 4.43Å; F270-L294 HydrophobicContact CZ-CD1 3.94Å
271	I	98.4	Very high	95.8	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65	-44.6	175.5	-67.7	164.4	0	0	0	111.5	C226 Y227 L230 Y253 F255 A267 M268 D269 K273 L274 L275	C226-I271 HydrophobicContact CB-CG1 4.24Å; Y227-I271 HydrophobicContact CD2-CD1 4.39Å; Y227-I271 HydrophobicContact CD2-CG2 4.25Å; L230-I271 HydrophobicContact CD1-CD1 4.09Å; Y253-I271 HydrophobicContact CE2-CG2 4.21Å; F255-I271 HydrophobicContact CE1-CB 4.24Å; F255-I271 HydrophobicContact CE1-CD1 4.06Å; F255-I271 HydrophobicContact CE1-CG2 4.12Å; F255-I271 HydrophobicContact CZ-CB 4.03Å; F255-I271 HydrophobicContact CZ-CG2 3.87Å; A267-I271 WeakPolarHBondContact O-CG1 3.48Å; A267-I271 PolarHBondContact O-N 2.84Å; A267-I271 VanDerWaalsContact O-N 3.13Å; M268-I271 PolarHBondContact O-N 3.11Å; D269-I271 VanDerWaalsContact C-N 3.32Å; D269-I271 PolarHBondContact O-N 3.4Å; I271-K273 PolarHBondContact O-N 3.38Å; I271-L274 PolarHBondContact O-N 2.79Å; I271-L275 HydrophobicContact CG2-CD1 3.62Å; I271-L275 HydrophobicContact CG2-CG 4.05Å; I271-L275 PolarHBondContact O-N 3.33Å
272	R	98.4	Very high	96.1	Very high	104 Å²	104	55 Å²	55	39%	0.392	26%	0.255	S	S	.	.	H	α-helix	trans	-56.2	-37.8	178.3	-73.7	172	-166	112.4	2.2	112.7	Y253 F255 M268 D269 L274 V276	Y253-R272 WeakPolarHBondContact OH-CA 3.32Å; F255-R272 HydrophobicContact CE2-CG 3.74Å; F255-R272 HydrophobicContact CZ-CG 4.09Å; M268-R272 VanDerWaalsContact O-CG 3.28Å; M268-R272 WeakPolarHBondContact O-CG 3.43Å; M268-R272 PolarHBondContact O-N 3.08Å; D269-R272 PolarHBondContact O-N 3.37Å; R272-L274 VanDerWaalsContact C-N 3.29Å; R272-L274 PolarHBondContact O-N 2.81Å; R272-V276 WeakPolarHBondContact O-CG2 3.15Å
273	K	98.4	Very high	96.7	Very high	83 Å²	83	51 Å²	51	36%	0.361	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-5	179.4	-70.8	169.1	177.8	166.1	0	114.4	D269 F270 I271 R282 M283 H291	D269-K273 VanDerWaalsContact CG-NZ 3.34Å; D269-K273 WeakPolarHBondContact O-CG 3.3Å; D269-K273 PolarHBondContact O-N 3.32Å; D269-K273 WeakPolarHBondContact OD1-CE 3.23Å; D269-K273 IonicContact OD1-NZ 3.12Å; D269-K273 PolarHBondContact OD1-NZ 2.94Å; D269-K273 WeakPolarHBondContact OD2-CE 3.26Å; D269-K273 IonicContact OD2-NZ 3.76Å; D269-K273 PolarHBondContact OD2-NZ 2.87Å; F270-K273 PolarHBondContact O-N 2.9Å; I271-K273 PolarHBondContact O-N 3.38Å; K273-R282 WeakPolarHBondContact O-CA 3.25Å; K273-M283 HydrophobicContact CB-CE 3.43Å; K273-M283 VanDerWaalsContact CB-CE 3.43Å; K273-M283 HydrophobicContact CB-CG 3.93Å; K273-M283 HydrophobicContact CB-SD 3.7Å; K273-M283 HydrophobicContact CD-CE 4.3Å; K273-M283 HydrophobicContact CD-SD 3.82Å; K273-M283 HydrophobicContact CG-SD 4.36Å; K273-M283 PolarHBondContact O-N 3.33Å; K273-H291 WeakPolarHBondContact CD-NE2 3.41Å; K273-H291 PolarHBondContact NZ-NE2 3.04Å
274	L	98.6	Very high	97	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-41.6	171.8	-73.9	176.3	0	0	0	112.5	M219 F270 I271 R272 V276 R282 M283	M219-L274 HydrophobicContact CB-CD2 3.91Å; M219-L274 HydrophobicContact CE-CD2 3.77Å; F270-L274 HydrophobicContact CD1-CD1 4.12Å; F270-L274 HydrophobicContact CE1-CD1 3.47Å; F270-L274 VanDerWaalsContact CE1-CD1 3.47Å; F270-L274 HydrophobicContact CE2-CD1 4.4Å; F270-L274 HydrophobicContact CZ-CD1 3.63Å; F270-L274 PolarHBondContact O-N 2.9Å; I271-L274 PolarHBondContact O-N 2.79Å; R272-L274 VanDerWaalsContact C-N 3.29Å; R272-L274 PolarHBondContact O-N 2.81Å; L274-V276 PolarHBondContact O-N 3.07Å; L274-R282 WeakPolarHBondContact O-CD 3.26Å; L274-R282 WeakPolarHBondContact O-CG 3.36Å; L274-M283 HydrophobicContact CD2-CB 4.34Å; L274-M283 HydrophobicContact CG-CE 4.26Å
275	L	98.4	Very high	97.3	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.021	25%	0.246	C	C	.	.	S	Bend	trans	-84	48.5	178.5	-60.2	-176	0	0	0	111.9	W220 V224 P235 F236 V251 Y253 I271	W220-L275 HydrophobicContact CD2-CD2 3.89Å; W220-L275 HydrophobicContact CE3-CD2 3.96Å; W220-L275 HydrophobicContact CG-CD2 4.42Å; W220-L275 HydrophobicContact CH2-CD2 4.38Å; W220-L275 HydrophobicContact CZ2-CD2 4.31Å; W220-L275 HydrophobicContact CZ3-CB 4.21Å; W220-L275 HydrophobicContact CZ3-CD2 4.22Å; V224-L275 HydrophobicContact CG2-CD2 3.92Å; P235-L275 HydrophobicContact CB-CD1 4.45Å; P235-L275 HydrophobicContact CG-CD1 4.49Å; F236-L275 HydrophobicContact CE2-CD1 4.19Å; F236-L275 HydrophobicContact CE2-CD2 4.07Å; F236-L275 HydrophobicContact CZ-CD1 4.02Å; F236-L275 HydrophobicContact CZ-CD2 4.27Å; V251-L275 WeakPolarHBondContact CG1-O 3.49Å; Y253-L275 HydrophobicContact CD1-CB 4.5Å; Y253-L275 HydrophobicContact CD1-CD1 4.33Å; Y253-L275 HydrophobicContact CD2-CD1 4.21Å; Y253-L275 HydrophobicContact CE1-CB 3.7Å; Y253-L275 HydrophobicContact CE1-CD1 4.11Å; Y253-L275 HydrophobicContact CE2-CD1 3.98Å; Y253-L275 HydrophobicContact CG-CD1 4.38Å; I271-L275 HydrophobicContact CG2-CD1 3.62Å; I271-L275 HydrophobicContact CG2-CG 4.05Å; I271-L275 PolarHBondContact O-N 3.33Å
276	V	97.8	Very high	97.5	Very high	37 Å²	37	50.2 Å²	50.2	22%	0.224	24%	0.236	C	C	.	.			trans	-94.4	138.8	176.6	-172.3	0	0	0	0	109.7	R272 L274 K281 R282	R272-V276 WeakPolarHBondContact O-CG2 3.15Å; L274-V276 PolarHBondContact O-N 3.07Å; V276-K281 HydrophobicContact CG1-CB 3.83Å; V276-R282 HydrophobicContact CB-CG 3.94Å; V276-R282 PolarHBondContact O-NE 3.13Å; V276-R282 PolarHBondContact O-NH2 3.28Å
277	K	96.8	Very high	97.6	Very high	109 Å²	109	52.1 Å²	52.1	47%	0.474	24%	0.243	S	C	.	.	S	Bend	trans	-60.9	-55.7	-179.7	-173.6	162.8	177.6	162.1	0	112.4	I249 V251 P279 R282	I249-K277 PolarHBondContact O-NZ 2.9Å; V251-K277 HydrophobicContact CG2-CB 3.65Å; V251-K277 HydrophobicContact CG2-CD 4.34Å; V251-K277 HydrophobicContact CG2-CG 4.09Å; K277-P279 WeakPolarHBondContact O-CD 3.13Å; K277-R282 PolarHBondContact O-NH2 3.3Å
278	D	96.3	Very high	97.8	Very high	33 Å²	33	52.1 Å²	52.1	18%	0.176	24%	0.243	C	C	.	.	S	Bend	trans	-69.2	116	179.8	-173.3	-17.8	0	0	0	110	R280 K281	D278-R280 PolarHBondContact O-N 3.09Å; D278-R280 WeakPolarHBondContact OD1-CB 3.21Å; D278-R280 IonicContact OD1-CZ 2.85Å; D278-R280 PolarHBondContact OD1-N 3.04Å; D278-R280 VanDerWaalsContact OD1-N 3.12Å; D278-R280 IonicContact OD1-NE 3.15Å; D278-R280 PolarHBondContact OD1-NE 3.02Å; D278-R280 IonicContact OD1-NH2 2.71Å; D278-R280 PolarHBondContact OD1-NH2 2.68Å; D278-R280 IonicContact OD2-CZ 2.83Å; D278-R280 IonicContact OD2-NE 2.67Å; D278-R280 IonicContact OD2-NH2 3.53Å; D278-R280 PolarHBondContact OD2-NH2 3.23Å; D278-K281 HydrophobicContact CB-CB 4.28Å; D278-K281 HydrophobicContact CB-CD 4Å; D278-K281 HydrophobicContact CB-CG 4.04Å; D278-K281 PolarHBondContact O-N 2.93Å; D278-K281 VanDerWaalsContact OD2-CE 3.29Å; D278-K281 WeakPolarHBondContact OD2-CE 3.44Å; D278-K281 IonicContact OD2-NZ 3.16Å
279	P	96.1	Very high	97.8	Very high	30 Å²	30	52.2 Å²	52.2	20%	0.195	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-61	-28.8	-177.2	23.2	-32.5	0	0	0	112.6	A216 K277 K281 R282	A216-P279 HydrophobicContact CB-CB 3.69Å; A216-P279 WeakPolarHBondContact CB-O 3.36Å; K277-P279 WeakPolarHBondContact O-CD 3.13Å; P279-K281 PolarHBondContact O-N 3.16Å; P279-K281 VanDerWaalsContact O-N 3.16Å; P279-R282 PolarHBondContact O-N 2.75Å
280	R	95.7	Very high	97.7	Very high	210 Å²	210	55.2 Å²	55.2	79%	0.792	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-71.9	-4.7	178.9	-53	166.1	-62.6	176.8	6.9	113.4	D278	D278-R280 PolarHBondContact O-N 3.09Å; D278-R280 WeakPolarHBondContact OD1-CB 3.21Å; D278-R280 IonicContact OD1-CZ 2.85Å; D278-R280 PolarHBondContact OD1-N 3.04Å; D278-R280 VanDerWaalsContact OD1-N 3.12Å; D278-R280 IonicContact OD1-NE 3.15Å; D278-R280 PolarHBondContact OD1-NE 3.02Å; D278-R280 IonicContact OD1-NH2 2.71Å; D278-R280 PolarHBondContact OD1-NH2 2.68Å; D278-R280 IonicContact OD2-CZ 2.83Å; D278-R280 IonicContact OD2-NE 2.67Å; D278-R280 IonicContact OD2-NH2 3.53Å; D278-R280 PolarHBondContact OD2-NH2 3.23Å
281	K	97.6	Very high	97.7	Very high	147 Å²	147	55.9 Å²	55.9	64%	0.639	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-117.1	5.9	-179.6	-59.6	-175.2	-175	-179.8	0	112.9	V276 D278 P279	V276-K281 HydrophobicContact CG1-CB 3.83Å; D278-K281 HydrophobicContact CB-CB 4.28Å; D278-K281 HydrophobicContact CB-CD 4Å; D278-K281 HydrophobicContact CB-CG 4.04Å; D278-K281 PolarHBondContact O-N 2.93Å; D278-K281 VanDerWaalsContact OD2-CE 3.29Å; D278-K281 WeakPolarHBondContact OD2-CE 3.44Å; D278-K281 IonicContact OD2-NZ 3.16Å; P279-K281 PolarHBondContact O-N 3.16Å; P279-K281 VanDerWaalsContact O-N 3.16Å
282	R	98.1	Very high	97.5	Very high	13 Å²	13	62 Å²	62	5%	0.049	29%	0.287	C	S	.	.	S	Bend	trans	-84.6	144.1	171.1	-61.4	179.9	-163.1	143	14	109.1	E206 A216 K273 L274 V276 K277 P279 T284	E206-R282 VanDerWaalsContact CD-NH1 3.35Å; E206-R282 IonicContact OE1-CZ 2.65Å; E206-R282 IonicContact OE1-NH1 3.89Å; E206-R282 PolarHBondContact OE1-NH1 2.88Å; E206-R282 IonicContact OE1-NH2 2.66Å; E206-R282 IonicContact OE2-CZ 2.83Å; E206-R282 IonicContact OE2-NH1 2.89Å; E206-R282 PolarHBondContact OE2-NH1 3.42Å; E206-R282 IonicContact OE2-NH2 3.12Å; E206-R282 PolarHBondContact OE2-NH2 3.25Å; A216-R282 WeakPolarHBondContact O-CD 3.35Å; A216-R282 PolarHBondContact O-NH1 2.92Å; K273-R282 WeakPolarHBondContact O-CA 3.25Å; L274-R282 WeakPolarHBondContact O-CD 3.26Å; L274-R282 WeakPolarHBondContact O-CG 3.36Å; V276-R282 HydrophobicContact CB-CG 3.94Å; V276-R282 PolarHBondContact O-NE 3.13Å; V276-R282 PolarHBondContact O-NH2 3.28Å; K277-R282 PolarHBondContact O-NH2 3.3Å; P279-R282 PolarHBondContact O-N 2.75Å; R282-T284 PolarHBondContact O-N 1.89Å
283	M	98.3	Very high	97.3	Very high	18 Å²	18	57 Å²	57	9%	0.089	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-61.2	136.4	169.8	-72	-178.6	-47.8	0	0	111	M219 F270 K273 L274 E287	M219-M283 WeakPolarHBondContact CE-O 3.25Å; M219-M283 WeakPolarHBondContact CG-O 3.13Å; F270-M283 HydrophobicContact CD2-CE 3.84Å; F270-M283 HydrophobicContact CE2-CE 4.11Å; K273-M283 HydrophobicContact CB-CE 3.43Å; K273-M283 VanDerWaalsContact CB-CE 3.43Å; K273-M283 HydrophobicContact CB-CG 3.93Å; K273-M283 HydrophobicContact CB-SD 3.7Å; K273-M283 HydrophobicContact CD-CE 4.3Å; K273-M283 HydrophobicContact CD-SD 3.82Å; K273-M283 HydrophobicContact CG-SD 4.36Å; K273-M283 PolarHBondContact O-N 3.33Å; L274-M283 HydrophobicContact CD2-CB 4.34Å; L274-M283 HydrophobicContact CG-CE 4.26Å; M283-E287 HydrophobicContact CB-CB 3.92Å; M283-E287 HydrophobicContact CG-CB 4.04Å
284	T	98.6	Very high	97.1	Very high	70 Å²	70	53.8 Å²	53.8	43%	0.429	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-66.9	164.7	162.5	59.7	0	0	0	0	111.3	R282 T286 E287 C288	R282-T284 PolarHBondContact O-N 1.89Å; T284-T286 PolarHBondContact O-N 2.92Å; T284-E287 WeakPolarHBondContact CB-OE2 3.39Å; T284-E287 WeakPolarHBondContact CG2-OE2 3.45Å; T284-E287 PolarHBondContact N-OE2 2.95Å; T284-E287 PolarHBondContact O-N 3.46Å; T284-E287 WeakPolarHBondContact OG1-CG 3.05Å; T284-E287 PolarHBondContact OG1-N 2.63Å; T284-E287 PolarHBondContact OG1-OE2 3.18Å; T284-C288 PolarHBondContact O-N 3.3Å; T284-C288 PolarHBondContact O-SG 3.42Å; T284-C288 VanDerWaalsContact O-SG 3.42Å
285	A	98.4	Very high	96.5	Very high	2 Å²	2	58 Å²	58	2%	0.017	27%	0.273	C	S	.	.	H	α-helix	trans	-59.7	-34.9	176.7	0	0	0	0	0	112.8	L146 V149 E150 M219 C288 L289	L146-A285 HydrophobicContact CD2-CB 4.17Å; V149-A285 HydrophobicContact CB-CB 4.43Å; V149-A285 HydrophobicContact CG1-CB 4.22Å; E150-A285 HydrophobicContact CB-CB 3.74Å; M219-A285 HydrophobicContact CE-CB 4.14Å; M219-A285 HydrophobicContact SD-CB 3.92Å; A285-C288 WeakPolarHBondContact O-CB 3.15Å; A285-C288 PolarHBondContact O-N 3.21Å; A285-L289 WeakPolarHBondContact O-CG 3.42Å; A285-L289 PolarHBondContact O-N 3.05Å
286	T	98	Very high	95.1	Very high	70 Å²	70	60.8 Å²	60.8	43%	0.429	29%	0.287	S	S	.	.	H	α-helix	trans	-64.8	-48.3	173.7	-55	0	0	0	0	111.8	E150 T284 C288 L289 Q290	E150-T286 WeakPolarHBondContact OE1-CA 3.5Å; E150-T286 VanDerWaalsContact OE1-CB 3.24Å; E150-T286 WeakPolarHBondContact OE1-CB 3.36Å; E150-T286 WeakPolarHBondContact OE1-CG2 3.44Å; E150-T286 PolarHBondContact OE1-OG1 3.13Å; T284-T286 PolarHBondContact O-N 2.92Å; T286-C288 VanDerWaalsContact C-N 3.28Å; T286-C288 PolarHBondContact O-N 3.41Å; T286-L289 PolarHBondContact O-N 3.17Å; T286-Q290 VanDerWaalsContact O-CG 3.28Å; T286-Q290 WeakPolarHBondContact O-CG 3.1Å; T286-Q290 PolarHBondContact O-N 3.36Å
287	E	98.2	Very high	93.2	Very high	99 Å²	99	68 Å²	68	46%	0.463	32%	0.315	S	S	.	.	H	α-helix	trans	-61.7	-36.9	175.6	-71.1	165.2	110.4	0	0	112.1	M283 T284 Q290 H291	M283-E287 HydrophobicContact CB-CB 3.92Å; M283-E287 HydrophobicContact CG-CB 4.04Å; T284-E287 WeakPolarHBondContact CB-OE2 3.39Å; T284-E287 WeakPolarHBondContact CG2-OE2 3.45Å; T284-E287 PolarHBondContact N-OE2 2.95Å; T284-E287 PolarHBondContact O-N 3.46Å; T284-E287 WeakPolarHBondContact OG1-CG 3.05Å; T284-E287 PolarHBondContact OG1-N 2.63Å; T284-E287 PolarHBondContact OG1-OE2 3.18Å; E287-Q290 CarbonylContact O-C 3.59Å; E287-Q290 WeakPolarHBondContact O-CA 3.28Å; E287-Q290 PolarHBondContact O-N 2.87Å; E287-Q290 VanDerWaalsContact O-N 3.15Å; E287-H291 PolarHBondContact O-N 2.88Å
288	C	98.3	Very high	91.1	Very high	0 Å²	0	73 Å²	73	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-60.1	-46.9	172.4	-77.8	0	0	0	0	112.8	L146 M219 F270 T284 A285 T286 Q290 H291	L146-C288 HydrophobicContact CD1-CB 3.73Å; L146-C288 HydrophobicContact CD2-CB 3.52Å; L146-C288 HydrophobicContact CG-CB 4.28Å; M219-C288 HydrophobicContact CE-CB 4.39Å; M219-C288 VanDerWaalsContact CE-SG 3.53Å; F270-C288 HydrophobicContact CE2-CB 3.69Å; F270-C288 HydrophobicContact CZ-CB 4.11Å; T284-C288 PolarHBondContact O-N 3.3Å; T284-C288 PolarHBondContact O-SG 3.42Å; T284-C288 VanDerWaalsContact O-SG 3.42Å; A285-C288 WeakPolarHBondContact O-CB 3.15Å; A285-C288 PolarHBondContact O-N 3.21Å; T286-C288 VanDerWaalsContact C-N 3.28Å; T286-C288 PolarHBondContact O-N 3.41Å; C288-Q290 PolarHBondContact O-N 3.36Å; C288-H291 VanDerWaalsContact O-CB 3.25Å; C288-H291 WeakPolarHBondContact O-CB 3.28Å; C288-H291 PolarHBondContact O-N 2.89Å; C288-H291 VanDerWaalsContact O-N 3.07Å
289	L	96.9	Very high	89	Confident	21 Å²	21	79.8 Å²	79.8	11%	0.11	36%	0.364	C	S	.	.	H	α-helix	trans	-65.4	-24.8	175	-71.2	165.6	0	0	0	112.1	L146 Q147 E150 A285 T286 L294	L146-L289 HydrophobicContact CB-CD1 4.31Å; L146-L289 HydrophobicContact CB-CD2 3.74Å; L146-L289 HydrophobicContact CB-CG 3.88Å; L146-L289 HydrophobicContact CD1-CD2 4.33Å; L146-L289 HydrophobicContact CD1-CG 4.49Å; Q147-L289 HydrophobicContact CG-CD1 4.2Å; Q147-L289 HydrophobicContact CG-CD2 4.22Å; E150-L289 HydrophobicContact CB-CD1 4.22Å; E150-L289 WeakPolarHBondContact OE2-CD1 3.38Å; A285-L289 WeakPolarHBondContact O-CG 3.42Å; A285-L289 PolarHBondContact O-N 3.05Å; T286-L289 PolarHBondContact O-N 3.17Å; L289-L294 HydrophobicContact CD2-CD2 4.31Å
290	Q	96.6	Very high	86.8	Confident	110 Å²	110	84.4 Å²	84.4	51%	0.514	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	0	173.2	-62.1	-58.3	-35.6	0	0	114.3	T286 E287 C288 K295	T286-Q290 VanDerWaalsContact O-CG 3.28Å; T286-Q290 WeakPolarHBondContact O-CG 3.1Å; T286-Q290 PolarHBondContact O-N 3.36Å; E287-Q290 CarbonylContact O-C 3.59Å; E287-Q290 WeakPolarHBondContact O-CA 3.28Å; E287-Q290 PolarHBondContact O-N 2.87Å; E287-Q290 VanDerWaalsContact O-N 3.15Å; C288-Q290 PolarHBondContact O-N 3.36Å; Q290-K295 VanDerWaalsContact O-CD 3.26Å; Q290-K295 WeakPolarHBondContact O-CD 3.43Å; Q290-K295 VanDerWaalsContact O-CE 3.23Å; Q290-K295 WeakPolarHBondContact O-CE 3.28Å; Q290-K295 PolarHBondContact O-NZ 2.78Å
291	H	97.4	Very high	84.6	Confident	14 Å²	14	76.2 Å²	76.2	7%	0.065	37%	0.367	C	S	.	.	S	Bend	trans	-74.4	148.6	-178.5	-169.1	-86.6	0	0	0	112.1	D266 D269 F270 K273 E287 C288 W293 L294 K295	D266-H291 PolarHBondContact O-CE1 3.45Å; D269-H291 IonicContact OD1-NE2 3.55Å; D269-H291 IonicContact OD2-CE1 2.65Å; D269-H291 PolarHBondContact OD2-CE1 3.43Å; D269-H291 IonicContact OD2-NE2 2.72Å; D269-H291 PolarHBondContact OD2-NE2 3.41Å; F270-H291 HydrophobicContact CD2-CB 3.92Å; F270-H291 AromaticContact CD2-CG 3.8Å; F270-H291 AromaticContact CD2-ND1 3.88Å; F270-H291 HydrophobicContact CE2-CB 4.41Å; F270-H291 PolarHBondContact N-CE1 3.49Å; F270-H291 VanDerWaalsContact N-CE1 3.32Å; K273-H291 WeakPolarHBondContact CD-NE2 3.41Å; K273-H291 PolarHBondContact NZ-NE2 3.04Å; E287-H291 PolarHBondContact O-N 2.88Å; C288-H291 VanDerWaalsContact O-CB 3.25Å; C288-H291 WeakPolarHBondContact O-CB 3.28Å; C288-H291 PolarHBondContact O-N 2.89Å; C288-H291 VanDerWaalsContact O-N 3.07Å; H291-W293 WeakPolarHBondContact ND1-CB 3.41Å; H291-W293 PolarHBondContact ND1-N 3.23Å; H291-W293 VanDerWaalsContact ND1-N 3.13Å; H291-W293 PolarHBondContact O-N 3.47Å; H291-L294 PolarHBondContact O-N 3.18Å; H291-L294 VanDerWaalsContact O-N 3.17Å; H291-K295 WeakPolarHBondContact O-CB 3.25Å; H291-K295 PolarHBondContact O-N 3.28Å
292	Q	94.8	Very high	82.4	Confident	127 Å²	127	79.8 Å²	79.8	59%	0.593	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-37.9	-175.9	-64.2	-61.1	-10.8	0	0	112.5	L294 K295 Q296	Q292-L294 PolarHBondContact O-N 2.88Å; Q292-K295 PolarHBondContact O-N 2.72Å; Q292-Q296 VanDerWaalsContact O-CG 3.27Å; Q292-Q296 WeakPolarHBondContact O-CG 3.23Å; Q292-Q296 PolarHBondContact O-N 3.42Å
293	W	95.1	Very high	80.3	Confident	0 Å²	0	89.2 Å²	89.2	0%	0	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-43.7	178.9	-172.2	50.6	0	0	0	113.1	E135 C138 I139 M142 C226 L230 D266 A267 F270 H291	E135-W293 HydrophobicContact CG-CZ2 3.95Å; E135-W293 PolarHBondContact OE1-NE1 3.43Å; C138-W293 HydrophobicContact CB-CH2 4.34Å; C138-W293 HydrophobicContact CB-CZ2 4.36Å; I139-W293 HydrophobicContact CD1-CZ2 4.43Å; I139-W293 VanDerWaalsContact CD1-O 3.27Å; I139-W293 WeakPolarHBondContact CD1-O 3.37Å; I139-W293 HydrophobicContact CG1-CD2 3.93Å; I139-W293 HydrophobicContact CG1-CG 4.38Å; I139-W293 HydrophobicContact CG1-CH2 4.15Å; I139-W293 HydrophobicContact CG1-CZ2 3.53Å; M142-W293 HydrophobicContact CB-CZ3 4.28Å; M142-W293 HydrophobicContact CG-CH2 4.08Å; M142-W293 HydrophobicContact CG-CZ3 4.01Å; C226-W293 VanDerWaalsContact SG-CZ3 3.58Å; L230-W293 HydrophobicContact CD1-CH2 4.02Å; L230-W293 HydrophobicContact CD1-CZ2 3.94Å; L230-W293 HydrophobicContact CD2-CZ2 4.12Å; D266-W293 HydrophobicContact CB-CB 3.89Å; D266-W293 HydrophobicContact CB-CG 4.27Å; A267-W293 HydrophobicContact CB-CD2 4.13Å; A267-W293 HydrophobicContact CB-CG 4.25Å; A267-W293 HydrophobicContact CB-CZ2 4.15Å; F270-W293 HydrophobicContact CB-CB 4.25Å; F270-W293 HydrophobicContact CB-CD2 4.44Å; F270-W293 HydrophobicContact CB-CE3 4Å; F270-W293 AromaticContact CD1-CE3 3.58Å; F270-W293 HydrophobicContact CD1-CE3 3.58Å; F270-W293 AromaticContact CD1-CZ3 3.73Å; F270-W293 HydrophobicContact CD1-CZ3 3.73Å; F270-W293 HydrophobicContact CD2-CE3 4.12Å; F270-W293 HydrophobicContact CE1-CE3 4.07Å; F270-W293 AromaticContact CE1-CZ3 3.91Å; F270-W293 HydrophobicContact CE1-CZ3 3.91Å; F270-W293 AromaticContact CG-CE3 3.62Å; F270-W293 HydrophobicContact CG-CE3 3.62Å; F270-W293 HydrophobicContact CG-CZ3 4.25Å; H291-W293 WeakPolarHBondContact ND1-CB 3.41Å; H291-W293 PolarHBondContact ND1-N 3.23Å; H291-W293 VanDerWaalsContact ND1-N 3.13Å; H291-W293 PolarHBondContact O-N 3.47Å
294	L	93.4	Very high	78.3	Confident	15 Å²	15	90.8 Å²	90.8	8%	0.079	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-27	177.7	-75	88.7	0	0	0	112.5	I139 H143 L146 F270 L289 H291 Q292 Q296	I139-L294 HydrophobicContact CG2-CG 4.39Å; H143-L294 HydrophobicContact CB-CD2 4.04Å; L146-L294 HydrophobicContact CD1-CD1 4.5Å; L146-L294 HydrophobicContact CD1-CD2 3.49Å; L146-L294 VanDerWaalsContact CD1-CD2 3.49Å; F270-L294 HydrophobicContact CD2-CD1 3.7Å; F270-L294 HydrophobicContact CE2-CD1 3.41Å; F270-L294 VanDerWaalsContact CE2-CD1 3.41Å; F270-L294 HydrophobicContact CG-CD1 4.43Å; F270-L294 HydrophobicContact CZ-CD1 3.94Å; L289-L294 HydrophobicContact CD2-CD2 4.31Å; H291-L294 PolarHBondContact O-N 3.18Å; H291-L294 VanDerWaalsContact O-N 3.17Å; Q292-L294 PolarHBondContact O-N 2.88Å; L294-Q296 PolarHBondContact O-N 3.05Å
295	K	86	Confident	76.6	Confident	88 Å²	88	87.5 Å²	87.5	38%	0.383	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-3.6	179.2	-90	-177	172	149.7	0	115.4	Q290 H291 Q292 K297	Q290-K295 VanDerWaalsContact O-CD 3.26Å; Q290-K295 WeakPolarHBondContact O-CD 3.43Å; Q290-K295 VanDerWaalsContact O-CE 3.23Å; Q290-K295 WeakPolarHBondContact O-CE 3.28Å; Q290-K295 PolarHBondContact O-NZ 2.78Å; H291-K295 WeakPolarHBondContact O-CB 3.25Å; H291-K295 PolarHBondContact O-N 3.28Å; Q292-K295 PolarHBondContact O-N 2.72Å; K295-K297 PolarHBondContact O-N 3.17Å
296	Q	69.8	Low	75.2	Confident	64 Å²	64	91.9 Å²	91.9	30%	0.299	44%	0.437	S	S	.	.			trans	-64.6	66.5	-173.5	-62.4	-169.7	0.1	0	0	114.6	D266 Q292 L294 K298	D266-Q296 PolarHBondContact OD2-NE2 2.61Å; Q292-Q296 VanDerWaalsContact O-CG 3.27Å; Q292-Q296 WeakPolarHBondContact O-CG 3.23Å; Q292-Q296 PolarHBondContact O-N 3.42Å; L294-Q296 PolarHBondContact O-N 3.05Å; Q296-K298 PolarHBondContact O-N 3.32Å
297	K	56.2	Low	74.2	Confident	187 Å²	187	88.9 Å²	88.9	81%	0.813	42%	0.419	S	S	*	.			trans	-72.8	122.2	172.4	-68.5	178.4	-179.1	177.8	0	109.2	K295 K299	K295-K297 PolarHBondContact O-N 3.17Å; K297-K299 VanDerWaalsContact C-N 3.31Å; K297-K299 PolarHBondContact O-N 3.14Å; K297-K299 VanDerWaalsContact O-N 3.14Å
298	K	53.5	Low	73.2	Confident	214 Å²	214	86.5 Å²	86.5	93%	0.93	41%	0.413	S	S	*	.	S	Bend	trans	69.5	-9.3	168.5	-52.7	-177.2	179.6	-177.3	0	118.7	Q296	Q296-K298 PolarHBondContact O-N 3.32Å
299	K	52	Low	72.5	Confident	176 Å²	176	88.5 Å²	88.5	77%	0.765	42%	0.421	S	S	*	.			trans	-92	102.1	165.6	-71.2	-175.2	-178.2	177.1	0	109.5	K297	K297-K299 VanDerWaalsContact C-N 3.31Å; K297-K299 PolarHBondContact O-N 3.14Å; K297-K299 VanDerWaalsContact O-N 3.14Å
300	T	49.3	Very low	72	Confident	127 Å²	127	94.7 Å²	94.7	78%	0.779	45%	0.448	S	S	*	.			trans	-60	126.4	161.3	35	0	0	0	0	108.1	K302	T300-K302 PolarHBondContact O-N 3.32Å
301	P	50.4	Low	71.5	Confident	39 Å²	39	95 Å²	95	25%	0.253	44%	0.444	S	S	.	.			trans	-63.3	125.8	176	26.5	-33.7	0	0	0	108.2	R303 S304	P301-R303 WeakPolarHBondContact CB-O 3.38Å; P301-R303 CarbonylContact O-C 3.23Å; P301-R303 VanDerWaalsContact O-C 3.23Å; P301-R303 PolarHBondContact O-N 2.7Å; P301-S304 PolarHBondContact O-N 2.93Å
302	K	50.7	Low	71	Confident	221 Å²	221	94.3 Å²	94.3	96%	0.961	44%	0.441	S	S	*	.	S	Bend	trans	-56.8	-21.6	-175.2	-74	-171.2	175.3	-175	0	113.1	T300	T300-K302 PolarHBondContact O-N 3.32Å
303	R	53.9	Low	70.7	Confident	211 Å²	211	90.3 Å²	90.3	80%	0.796	42%	0.421	S	S	*	.	S	Bend	trans	-113	109.5	158.7	-69	177.8	176	147.1	-0.7	107.5	P301 G305	P301-R303 WeakPolarHBondContact CB-O 3.38Å; P301-R303 CarbonylContact O-C 3.23Å; P301-R303 VanDerWaalsContact O-C 3.23Å; P301-R303 PolarHBondContact O-N 2.7Å; R303-G305 VanDerWaalsContact C-N 3.27Å; R303-G305 PolarHBondContact O-N 3.22Å; R303-G305 VanDerWaalsContact O-N 3.13Å
304	S	58	Low	70.4	Confident	51 Å²	51	94.8 Å²	94.8	36%	0.357	44%	0.442	S	S	.	.			trans	-85	78.2	170.4	167.1	0	0	0	0	108.2	N134 P301 T306	N134-S304 WeakPolarHBondContact CB-OG 3.33Å; N134-S304 PolarHBondContact ND2-OG 2.99Å; P301-S304 PolarHBondContact O-N 2.93Å; S304-T306 PolarHBondContact O-N 2.65Å
305	G	61.2	Low	70.2	Confident	1 Å²	1	94.6 Å²	94.6	1%	0.01	44%	0.441	C	S	.	.			trans	-45	127.6	-170.9	0	0	0	0	0	113.4	N134 E135 E262 R303 V307	N134-G305 WeakPolarHBondContact CA-O 3.49Å; E135-G305 PolarHBondContact N-O 3.32Å; E262-G305 WeakPolarHBondContact O-CA 3.5Å; R303-G305 VanDerWaalsContact C-N 3.27Å; R303-G305 PolarHBondContact O-N 3.22Å; R303-G305 VanDerWaalsContact O-N 3.13Å; G305-V307 PolarHBondContact O-N 3.4Å
306	T	69.6	Low	70.2	Confident	94 Å²	94	90.6 Å²	90.6	58%	0.577	42%	0.424	S	S	*	.	B	Isolated β-bridge	trans	-85.6	110	-173.2	59.4	0	0	0	0	109.7	E262 S304 S308	E262-T306 WeakPolarHBondContact OE2-CB 3.31Å; E262-T306 PolarHBondContact OE2-N 3.04Å; E262-T306 PolarHBondContact OE2-OG1 2.84Å; S304-T306 PolarHBondContact O-N 2.65Å; T306-S308 PolarHBondContact O-N 2.86Å
307	V	77.6	Confident	71.1	Confident	8 Å²	8	92 Å²	92	5%	0.048	43%	0.427	C	S	.	.			trans	-73.7	121.1	-176.7	174.2	0	0	0	0	109.1	L133 L230 I263 G305 K309	L133-V307 HydrophobicContact CB-CB 4.46Å; L133-V307 HydrophobicContact CD2-CB 3.78Å; L133-V307 HydrophobicContact CD2-CG1 3.5Å; L133-V307 HydrophobicContact CG-CB 3.81Å; L133-V307 HydrophobicContact CG-CG1 4.11Å; L133-V307 HydrophobicContact CG-CG2 4.28Å; L133-V307 PolarHBondContact O-N 3.05Å; L230-V307 HydrophobicContact CD2-CG2 4.44Å; L230-V307 WeakPolarHBondContact O-CG1 3.24Å; I263-V307 HydrophobicContact CD1-CG2 4.21Å; G305-V307 PolarHBondContact O-N 3.4Å; V307-K309 PolarHBondContact O-N 2.72Å
308	S	76.3	Confident	72.6	Confident	48 Å²	48	86.6 Å²	86.6	34%	0.336	40%	0.401	S	S	.	.			trans	-67.4	91	-177.9	-173.4	0	0	0	0	112.1	T306 K310 R311	T306-S308 PolarHBondContact O-N 2.86Å; S308-K310 PolarHBondContact O-N 2.94Å; S308-R311 PolarHBondContact O-N 3.24Å
309	K	84.5	Confident	74.2	Confident	42 Å²	42	77.1 Å²	77.1	18%	0.183	36%	0.36	C	S	.	.	H	α-helix	trans	-51.5	-21.3	173.2	-69.7	-173.7	-176	178.4	0	113.5	D128 E129 F131 V307 L312 K313	D128-K309 PolarHBondContact O-NZ 3.42Å; E129-K309 PolarHBondContact O-NZ 3.42Å; F131-K309 WeakPolarHBondContact O-CE 3.07Å; F131-K309 PolarHBondContact O-NZ 3.43Å; V307-K309 PolarHBondContact O-N 2.72Å; K309-L312 PolarHBondContact O-N 3.4Å; K309-K313 WeakPolarHBondContact O-CB 3.38Å; K309-K313 WeakPolarHBondContact O-CG 3.34Å; K309-K313 PolarHBondContact O-N 3.21Å
310	K	86	Confident	75.8	Confident	151 Å²	151	72 Å²	72	66%	0.657	34%	0.338	S	S	*	.	H	α-helix	trans	-58.1	-53.3	-179.6	-173.2	175.5	-180	179.6	0	111	S308 H314	S308-K310 PolarHBondContact O-N 2.94Å; K310-H314 PolarHBondContact O-N 3.05Å; K310-H314 PolarHBondContact O-ND1 3.4Å
311	R	86	Confident	77.5	Confident	117 Å²	117	72.2 Å²	72.2	44%	0.442	32%	0.324	S	S	.	.	H	α-helix	trans	-65.3	-43.7	177.2	-67.6	-60.9	-172.9	159.6	14.1	111.6	S231 G232 L233 E259 S308 K313 H314 F315	S231-R311 WeakPolarHBondContact O-CB 3.42Å; G232-R311 CarbonylContact O-C 3.53Å; L233-R311 HydrophobicContact CD2-CB 4.26Å; L233-R311 HydrophobicContact CD2-CG 3.82Å; E259-R311 HydrophobicContact CG-CG 3.94Å; E259-R311 VanDerWaalsContact OE1-CG 3.27Å; E259-R311 WeakPolarHBondContact OE1-CG 3.05Å; E259-R311 IonicContact OE1-CZ 3.03Å; E259-R311 VanDerWaalsContact OE1-CZ 3.3Å; E259-R311 IonicContact OE1-NE 2.6Å; E259-R311 PolarHBondContact OE1-NE 2.94Å; E259-R311 IonicContact OE1-NH2 2.68Å; E259-R311 PolarHBondContact OE1-NH2 2.86Å; S308-R311 PolarHBondContact O-N 3.24Å; R311-K313 VanDerWaalsContact C-N 3.32Å; R311-K313 PolarHBondContact O-N 2.95Å; R311-H314 WeakPolarHBondContact O-CA 3.48Å; R311-H314 WeakPolarHBondContact O-CB 3.36Å; R311-H314 PolarHBondContact O-N 3.42Å; R311-F315 PolarHBondContact O-N 2.98Å
312	L	86.8	Confident	79.1	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60	-40.8	-177.4	-164.4	61.5	0	0	0	112	F123 I126 I127 L133 V228 K309 F315 V316	F123-L312 HydrophobicContact CD1-CD1 3.96Å; F123-L312 HydrophobicContact CE1-CD1 3.82Å; I126-L312 HydrophobicContact CB-CD2 4.42Å; I126-L312 HydrophobicContact CD1-CD1 4.37Å; I126-L312 HydrophobicContact CD1-CD2 3.81Å; I126-L312 HydrophobicContact CD1-CG 4.44Å; I126-L312 HydrophobicContact CG1-CD2 3.77Å; I126-L312 HydrophobicContact CG1-CG 4.48Å; I127-L312 HydrophobicContact CG2-CB 3.91Å; I127-L312 HydrophobicContact CG2-CD2 3.92Å; I127-L312 HydrophobicContact CG2-CG 3.54Å; L133-L312 HydrophobicContact CD2-CD2 3.45Å; L133-L312 VanDerWaalsContact CD2-CD2 3.45Å; V228-L312 HydrophobicContact CG1-CD1 4.14Å; V228-L312 WeakPolarHBondContact O-CD1 3.46Å; K309-L312 PolarHBondContact O-N 3.4Å; L312-F315 PolarHBondContact O-N 3.01Å; L312-V316 WeakPolarHBondContact O-CG2 3.37Å; L312-V316 PolarHBondContact O-N 3.45Å
313	K	89.2	Confident	80.4	Confident	42 Å²	42	68.4 Å²	68.4	18%	0.183	31%	0.305	C	S	.	.	H	α-helix	trans	-57.8	-49.3	169.8	-80.9	-178.2	173.8	-175.3	0	112.1	I127 E129 K309 R311 F315 V316 Y317	I127-K313 HydrophobicContact CB-CG 3.71Å; I127-K313 HydrophobicContact CD1-CG 4.14Å; I127-K313 HydrophobicContact CG1-CG 4.44Å; I127-K313 HydrophobicContact CG2-CG 4.03Å; I127-K313 WeakPolarHBondContact O-CE 3.3Å; E129-K313 IonicContact OE1-NZ 2.84Å; E129-K313 PolarHBondContact OE1-NZ 3.41Å; K309-K313 WeakPolarHBondContact O-CB 3.38Å; K309-K313 WeakPolarHBondContact O-CG 3.34Å; K309-K313 PolarHBondContact O-N 3.21Å; R311-K313 VanDerWaalsContact C-N 3.32Å; R311-K313 PolarHBondContact O-N 2.95Å; K313-F315 VanDerWaalsContact C-N 3.33Å; K313-F315 PolarHBondContact O-N 2.86Å; K313-V316 PolarHBondContact O-N 3.21Å; K313-Y317 HydrophobicContact CB-CD2 4.34Å; K313-Y317 HydrophobicContact CB-CE2 3.94Å; K313-Y317 HydrophobicContact CG-CE2 4.38Å; K313-Y317 WeakPolarHBondContact O-CD2 3.34Å; K313-Y317 VanDerWaalsContact O-CG 3.3Å; K313-Y317 PolarHBondContact O-N 2.95Å
314	H	88.3	Confident	81.8	Confident	94 Å²	94	60 Å²	60	44%	0.435	28%	0.281	S	S	.	.	H	α-helix	trans	-61.6	-40.6	178	-69.7	73.5	0	0	0	111.7	K310 R311 R318	K310-H314 PolarHBondContact O-N 3.05Å; K310-H314 PolarHBondContact O-ND1 3.4Å; R311-H314 WeakPolarHBondContact O-CA 3.48Å; R311-H314 WeakPolarHBondContact O-CB 3.36Å; R311-H314 PolarHBondContact O-N 3.42Å; H314-R318 VanDerWaalsContact O-CB 3.26Å; H314-R318 WeakPolarHBondContact O-CB 3.27Å; H314-R318 PolarHBondContact O-N 3.39Å
315	F	88.3	Confident	82.8	Confident	11 Å²	11	59.5 Å²	59.5	5%	0.048	28%	0.275	C	S	.	.	H	α-helix	trans	-60.3	-48.7	175.7	175.7	-86.5	0	0	0	112	F123 P164 F202 V228 R311 L312 K313 R318 R319	F123-F315 HydrophobicContact CD1-CD1 4.35Å; F123-F315 HydrophobicContact CD1-CE1 4.2Å; F123-F315 HydrophobicContact CE1-CE1 4.29Å; P164-F315 HydrophobicContact CG-CE1 4.32Å; F202-F315 HydrophobicContact CE2-CZ 4.39Å; F202-F315 HydrophobicContact CZ-CZ 4.04Å; V228-F315 HydrophobicContact CB-CZ 4.41Å; V228-F315 HydrophobicContact CG1-CD1 3.68Å; V228-F315 HydrophobicContact CG1-CD2 3.76Å; V228-F315 HydrophobicContact CG1-CE1 3.65Å; V228-F315 HydrophobicContact CG1-CE2 3.74Å; V228-F315 HydrophobicContact CG1-CG 3.74Å; V228-F315 HydrophobicContact CG1-CZ 3.68Å; V228-F315 HydrophobicContact CG2-CE2 3.96Å; V228-F315 HydrophobicContact CG2-CZ 4Å; R311-F315 PolarHBondContact O-N 2.98Å; L312-F315 PolarHBondContact O-N 3.01Å; K313-F315 VanDerWaalsContact C-N 3.33Å; K313-F315 PolarHBondContact O-N 2.86Å; F315-R318 VanDerWaalsContact CE2-NH2 3.3Å; F315-R318 PolarHBondContact O-N 3Å; F315-R319 HydrophobicContact CE1-CG 4.24Å; F315-R319 VanDerWaalsContact CZ-CD 3.48Å; F315-R319 HydrophobicContact CZ-CG 4.34Å; F315-R319 WeakPolarHBondContact O-CG 3.24Å; F315-R319 PolarHBondContact O-N 3.3Å
316	V	87	Confident	83.6	Confident	5 Å²	5	63.6 Å²	63.6	3%	0.03	30%	0.297	C	S	.	.	H	α-helix	trans	-64.7	-44.6	179.3	174.1	0	0	0	0	111.3	F123 E124 I127 L312 K313 R319 K320	F123-V316 HydrophobicContact CB-CG2 3.91Å; F123-V316 HydrophobicContact CD1-CG2 4.23Å; E124-V316 HydrophobicContact CG-CG1 4.35Å; I127-V316 HydrophobicContact CD1-CB 3.92Å; I127-V316 HydrophobicContact CD1-CG1 3.81Å; I127-V316 HydrophobicContact CD1-CG2 4.26Å; I127-V316 HydrophobicContact CG2-CG2 4.2Å; L312-V316 WeakPolarHBondContact O-CG2 3.37Å; L312-V316 PolarHBondContact O-N 3.45Å; K313-V316 PolarHBondContact O-N 3.21Å; V316-R319 PolarHBondContact O-N 2.67Å; V316-K320 PolarHBondContact O-N 3.21Å
317	Y	89.1	Confident	83.7	Confident	93 Å²	93	61.4 Å²	61.4	37%	0.365	29%	0.289	S	S	.	.	H	α-helix	trans	-65.2	-40.1	176.9	-61.4	-41.9	0	0	0	112.3	I127 K313 R319 K320 W321	I127-Y317 HydrophobicContact CD1-CE1 4.48Å; K313-Y317 HydrophobicContact CB-CD2 4.34Å; K313-Y317 HydrophobicContact CB-CE2 3.94Å; K313-Y317 HydrophobicContact CG-CE2 4.38Å; K313-Y317 WeakPolarHBondContact O-CD2 3.34Å; K313-Y317 VanDerWaalsContact O-CG 3.3Å; K313-Y317 PolarHBondContact O-N 2.95Å; Y317-R319 VanDerWaalsContact C-N 3.3Å; Y317-R319 PolarHBondContact O-N 2.49Å; Y317-K320 PolarHBondContact O-N 3.5Å; Y317-W321 WeakPolarHBondContact O-CB 3.27Å; Y317-W321 PolarHBondContact O-N 3.34Å
318	R	87.6	Confident	83.8	Confident	73 Å²	73	63.5 Å²	63.5	28%	0.275	30%	0.299	S	S	.	.	H	α-helix	trans	-55.7	-43.7	171.5	-179	-171	64.8	96.7	-1.2	111.3	E201 L237 H314 F315 W321 Q322	E201-R318 VanDerWaalsContact CD-NH2 3.26Å; E201-R318 IonicContact OE1-CZ 2.63Å; E201-R318 IonicContact OE1-NH1 3.5Å; E201-R318 PolarHBondContact OE1-NH1 2.78Å; E201-R318 IonicContact OE1-NH2 3.45Å; E201-R318 PolarHBondContact OE1-NH2 3.22Å; E201-R318 IonicContact OE2-CZ 1.89Å; E201-R318 IonicContact OE2-NH1 3.71Å; E201-R318 IonicContact OE2-NH2 2.68Å; E201-R318 PolarHBondContact OE2-NH2 3.1Å; L237-R318 VanDerWaalsContact CD2-CZ 3.49Å; H314-R318 VanDerWaalsContact O-CB 3.26Å; H314-R318 WeakPolarHBondContact O-CB 3.27Å; H314-R318 PolarHBondContact O-N 3.39Å; F315-R318 VanDerWaalsContact CE2-NH2 3.3Å; F315-R318 PolarHBondContact O-N 3Å; R318-W321 WeakPolarHBondContact O-CB 3.36Å; R318-W321 PolarHBondContact O-N 3.17Å; R318-Q322 WeakPolarHBondContact O-CB 3.35Å; R318-Q322 PolarHBondContact O-N 2.9Å
319	R	86.3	Confident	83.8	Confident	16 Å²	16	64.2 Å²	64.2	6%	0.06	30%	0.299	C	S	.	.	H	α-helix	trans	-70.4	-42	179	-71.3	-169.9	73.3	135.9	14.9	113.4	E165 F315 V316 Y317 W321 Q322 K323	E165-R319 VanDerWaalsContact CD-NE 3.33Å; E165-R319 IonicContact OE1-CZ 3.8Å; E165-R319 IonicContact OE1-NE 3.39Å; E165-R319 PolarHBondContact OE1-NE 3.3Å; E165-R319 IonicContact OE1-NH2 3.74Å; E165-R319 PolarHBondContact OE1-NH2 3.32Å; E165-R319 IonicContact OE2-CZ 2.81Å; E165-R319 IonicContact OE2-NE 2.88Å; E165-R319 IonicContact OE2-NH1 2.7Å; E165-R319 IonicContact OE2-NH2 3.73Å; E165-R319 PolarHBondContact OE2-NH2 2.87Å; F315-R319 HydrophobicContact CE1-CG 4.24Å; F315-R319 VanDerWaalsContact CZ-CD 3.48Å; F315-R319 HydrophobicContact CZ-CG 4.34Å; F315-R319 WeakPolarHBondContact O-CG 3.24Å; F315-R319 PolarHBondContact O-N 3.3Å; V316-R319 PolarHBondContact O-N 2.67Å; Y317-R319 VanDerWaalsContact C-N 3.3Å; Y317-R319 PolarHBondContact O-N 2.49Å; R319-W321 VanDerWaalsContact C-N 3.26Å; R319-W321 PolarHBondContact O-N 3.25Å; R319-Q322 PolarHBondContact O-N 3.43Å; R319-K323 PolarHBondContact O-N 3.12Å
320	K	85.5	Confident	83.1	Confident	68 Å²	68	64.4 Å²	64.4	30%	0.296	31%	0.308	S	S	.	.	H	α-helix	trans	-59.7	-39.5	172.6	-72.9	-165.9	170.7	-159.2	0	111.6	E124 V316 Y317 A324	E124-K320 WeakPolarHBondContact OE1-CE 3.47Å; E124-K320 IonicContact OE1-NZ 3.11Å; E124-K320 PolarHBondContact OE1-NZ 3.35Å; E124-K320 IonicContact OE2-NZ 2.81Å; E124-K320 PolarHBondContact OE2-NZ 3.3Å; V316-K320 PolarHBondContact O-N 3.21Å; Y317-K320 PolarHBondContact O-N 3.5Å; K320-A324 WeakPolarHBondContact O-CB 3.45Å; K320-A324 PolarHBondContact O-N 3.11Å; K320-A324 VanDerWaalsContact O-N 3.08Å
321	W	85.1	Confident	82.5	Confident	132 Å²	132	59.2 Å²	59.2	50%	0.5	29%	0.287	S	S	.	.	H	α-helix	trans	-63.9	-48	172.6	-175	-109.8	0	0	0	112.1	Y317 R318 R319 K323 A324 V325 F646	Y317-W321 WeakPolarHBondContact O-CB 3.27Å; Y317-W321 PolarHBondContact O-N 3.34Å; R318-W321 WeakPolarHBondContact O-CB 3.36Å; R318-W321 PolarHBondContact O-N 3.17Å; R319-W321 VanDerWaalsContact C-N 3.26Å; R319-W321 PolarHBondContact O-N 3.25Å; W321-K323 PolarHBondContact O-N 3.5Å; W321-A324 PolarHBondContact O-N 3.37Å; W321-A324 VanDerWaalsContact O-N 3.1Å; W321-V325 HydrophobicContact CD2-CG2 4.15Å; W321-V325 HydrophobicContact CG-CG2 4.36Å; W321-V325 HydrophobicContact CZ2-CG2 4.08Å; W321-V325 WeakPolarHBondContact O-CG2 3.29Å; W321-V325 PolarHBondContact O-N 2.79Å; W321-F646 HydrophobicContact CE3-CB 4.16Å; W321-F646 HydrophobicContact CE3-CD2 4.24Å; W321-F646 HydrophobicContact CE3-CG 4.14Å; W321-F646 HydrophobicContact CZ3-CB 3.78Å; W321-F646 HydrophobicContact CZ3-CD2 4.22Å; W321-F646 HydrophobicContact CZ3-CG 4.16Å
322	Q	83.3	Confident	81.5	Confident	89 Å²	89	59.1 Å²	59.1	42%	0.416	29%	0.291	S	S	.	.	H	α-helix	trans	-62.1	-40.7	178.1	-166.6	66.7	63.3	0	0	112.5	R318 R319 A324 N326	R318-Q322 WeakPolarHBondContact O-CB 3.35Å; R318-Q322 PolarHBondContact O-N 2.9Å; R319-Q322 PolarHBondContact O-N 3.43Å; Q322-A324 PolarHBondContact O-N 2.84Å; Q322-N326 PolarHBondContact NE2-OD1 3.26Å; Q322-N326 VanDerWaalsContact O-CB 3.27Å; Q322-N326 WeakPolarHBondContact O-CB 3.46Å; Q322-N326 PolarHBondContact O-N 3.38Å; Q322-N326 PolarHBondContact O-OD1 2.93Å
323	K	79.4	Confident	80.9	Confident	90 Å²	90	69.2 Å²	69.2	39%	0.391	33%	0.33	S	S	.	.	H	α-helix	trans	-54.5	-50.4	170.2	-79.9	-177.1	171	-175.5	0	110.6	E121 E165 R319 W321 N326 A327	E121-K323 IonicContact OE1-NZ 3.16Å; E121-K323 PolarHBondContact OE1-NZ 3.23Å; E165-K323 WeakPolarHBondContact OE1-CE 3.47Å; R319-K323 PolarHBondContact O-N 3.12Å; W321-K323 PolarHBondContact O-N 3.5Å; K323-N326 PolarHBondContact O-N 3.19Å; K323-A327 WeakPolarHBondContact O-CB 3.47Å; K323-A327 PolarHBondContact O-N 3.23Å
324	A	81.7	Confident	80.1	Confident	36 Å²	36	74.2 Å²	74.2	30%	0.298	36%	0.355	S	S	.	.	H	α-helix	trans	-65.7	-43.8	-178.3	0	0	0	0	0	113.2	K320 W321 Q322 A327 I328	K320-A324 WeakPolarHBondContact O-CB 3.45Å; K320-A324 PolarHBondContact O-N 3.11Å; K320-A324 VanDerWaalsContact O-N 3.08Å; W321-A324 PolarHBondContact O-N 3.37Å; W321-A324 VanDerWaalsContact O-N 3.1Å; Q322-A324 PolarHBondContact O-N 2.84Å; A324-A327 PolarHBondContact O-N 3.01Å; A324-I328 WeakPolarHBondContact O-CG1 3.46Å; A324-I328 PolarHBondContact O-N 2.84Å
325	V	80.8	Confident	78.2	Confident	39 Å²	39	72.4 Å²	72.4	24%	0.236	36%	0.362	C	S	.	.	H	α-helix	trans	-63	-43.9	176.2	170.7	0	0	0	0	110.9	W321 A327 I328 I329	W321-V325 HydrophobicContact CD2-CG2 4.15Å; W321-V325 HydrophobicContact CG-CG2 4.36Å; W321-V325 HydrophobicContact CZ2-CG2 4.08Å; W321-V325 WeakPolarHBondContact O-CG2 3.29Å; W321-V325 PolarHBondContact O-N 2.79Å; V325-A327 VanDerWaalsContact C-N 3.32Å; V325-A327 PolarHBondContact O-N 3.18Å; V325-I328 PolarHBondContact O-N 2.74Å; V325-I329 HydrophobicContact CG1-CD1 3.8Å; V325-I329 WeakPolarHBondContact O-CG1 3.39Å; V325-I329 PolarHBondContact O-N 3.12Å
326	N	76.7	Confident	77.2	Confident	87 Å²	87	74.5 Å²	74.5	47%	0.465	38%	0.376	S	S	.	.	H	α-helix	trans	-62.2	-39.5	176.6	-70.2	-0.2	0	0	0	111.7	Q322 K323 I329 A330	Q322-N326 PolarHBondContact NE2-OD1 3.26Å; Q322-N326 VanDerWaalsContact O-CB 3.27Å; Q322-N326 WeakPolarHBondContact O-CB 3.46Å; Q322-N326 PolarHBondContact O-N 3.38Å; Q322-N326 PolarHBondContact O-OD1 2.93Å; K323-N326 PolarHBondContact O-N 3.19Å; N326-I329 PolarHBondContact O-N 3.22Å; N326-A330 WeakPolarHBondContact O-CB 3.06Å; N326-A330 PolarHBondContact O-N 3.47Å
327	A	72.9	Confident	75.9	Confident	48 Å²	48	79.7 Å²	79.7	40%	0.397	41%	0.407	S	S	.	.	H	α-helix	trans	-65.4	-41	174.9	0	0	0	0	0	112.5	K323 A324 V325 A330 L331	K323-A327 WeakPolarHBondContact O-CB 3.47Å; K323-A327 PolarHBondContact O-N 3.23Å; A324-A327 PolarHBondContact O-N 3.01Å; V325-A327 VanDerWaalsContact C-N 3.32Å; V325-A327 PolarHBondContact O-N 3.18Å; A327-A330 PolarHBondContact O-N 3.23Å; A327-L331 WeakPolarHBondContact O-CG 3.44Å; A327-L331 PolarHBondContact O-N 3.25Å
328	I	78.7	Confident	74.6	Confident	53 Å²	53	78.1 Å²	78.1	27%	0.272	41%	0.405	S	S	.	.	H	α-helix	trans	-61.9	-44.3	174.6	-69.8	163.8	0	0	0	110.9	A324 V325 A330 L331 Q332 L338	A324-I328 WeakPolarHBondContact O-CG1 3.46Å; A324-I328 PolarHBondContact O-N 2.84Å; V325-I328 PolarHBondContact O-N 2.74Å; I328-A330 VanDerWaalsContact C-N 3.33Å; I328-A330 PolarHBondContact O-N 3.25Å; I328-L331 PolarHBondContact O-N 3.31Å; I328-Q332 WeakPolarHBondContact O-CG 3.42Å; I328-Q332 PolarHBondContact O-N 2.7Å; I328-L338 HydrophobicContact CG2-CD1 4.04Å
329	I	76.9	Confident	72.8	Confident	63 Å²	63	80.9 Å²	80.9	32%	0.323	42%	0.421	S	S	.	.	H	α-helix	trans	-64.5	-37.6	176.8	-67.8	167	0	0	0	111.2	V325 N326 R333	V325-I329 HydrophobicContact CG1-CD1 3.8Å; V325-I329 WeakPolarHBondContact O-CG1 3.39Å; V325-I329 PolarHBondContact O-N 3.12Å; N326-I329 PolarHBondContact O-N 3.22Å; I329-R333 WeakPolarHBondContact O-CB 3.47Å; I329-R333 VanDerWaalsContact O-CG 3.27Å; I329-R333 WeakPolarHBondContact O-CG 3.37Å; I329-R333 PolarHBondContact O-N 3.46Å
330	A	68.8	Low	71.2	Confident	45 Å²	45	88.5 Å²	88.5	37%	0.372	46%	0.457	S	S	.	.	H	α-helix	trans	-64	-49.1	174.4	0	0	0	0	0	111.6	N326 A327 I328 Q332 R333 M334	N326-A330 WeakPolarHBondContact O-CB 3.06Å; N326-A330 PolarHBondContact O-N 3.47Å; A327-A330 PolarHBondContact O-N 3.23Å; I328-A330 VanDerWaalsContact C-N 3.33Å; I328-A330 PolarHBondContact O-N 3.25Å; A330-Q332 VanDerWaalsContact C-N 3.33Å; A330-Q332 PolarHBondContact O-N 2.88Å; A330-R333 WeakPolarHBondContact O-CB 3.39Å; A330-R333 PolarHBondContact O-N 2.84Å; A330-R333 VanDerWaalsContact O-N 3.1Å; A330-M334 WeakPolarHBondContact O-CG 3.06Å; A330-M334 PolarHBondContact O-N 3.33Å
331	L	73.2	Confident	69	Low	42 Å²	42	89.3 Å²	89.3	22%	0.22	47%	0.471	C	S	.	.	H	α-helix	trans	-57.6	-43.3	176.4	-71.2	167.7	0	0	0	112.1	A327 I328 R333 M334 G335 V336	A327-L331 WeakPolarHBondContact O-CG 3.44Å; A327-L331 PolarHBondContact O-N 3.25Å; I328-L331 PolarHBondContact O-N 3.31Å; L331-R333 PolarHBondContact O-N 2.86Å; L331-M334 CarbonylContact O-C 3.59Å; L331-M334 PolarHBondContact O-N 3.23Å; L331-G335 PolarHBondContact O-N 2.98Å; L331-V336 HydrophobicContact CB-CB 4.17Å; L331-V336 HydrophobicContact CB-CG2 4.38Å; L331-V336 HydrophobicContact CD2-CG2 4.06Å; L331-V336 VanDerWaalsContact O-CB 3.3Å; L331-V336 WeakPolarHBondContact O-CB 3.41Å; L331-V336 WeakPolarHBondContact O-CG2 3.27Å; L331-V336 PolarHBondContact O-N 3.29Å
332	Q	66.5	Low	66.9	Low	115 Å²	115	88.5 Å²	88.5	54%	0.537	48%	0.482	S	S	.	.	H	α-helix	trans	-61.5	-42.5	174.5	-74	174.6	-16.4	0	0	112.3	I328 A330 M334 G335	I328-Q332 WeakPolarHBondContact O-CG 3.42Å; I328-Q332 PolarHBondContact O-N 2.7Å; A330-Q332 VanDerWaalsContact C-N 3.33Å; A330-Q332 PolarHBondContact O-N 2.88Å; Q332-M334 VanDerWaalsContact C-N 3.28Å; Q332-M334 PolarHBondContact O-N 3.43Å; Q332-G335 PolarHBondContact O-N 3.43Å; Q332-G335 VanDerWaalsContact O-N 3.08Å
333	R	73.6	Confident	64.9	Low	213 Å²	213	91.6 Å²	91.6	80%	0.804	50%	0.5	S	S	*	.	H	α-helix	trans	-66.3	-27.8	175.2	-72.9	171	179.8	-174.3	0.6	113.2	I329 A330 L331 G335	I329-R333 WeakPolarHBondContact O-CB 3.47Å; I329-R333 VanDerWaalsContact O-CG 3.27Å; I329-R333 WeakPolarHBondContact O-CG 3.37Å; I329-R333 PolarHBondContact O-N 3.46Å; A330-R333 WeakPolarHBondContact O-CB 3.39Å; A330-R333 PolarHBondContact O-N 2.84Å; A330-R333 VanDerWaalsContact O-N 3.1Å; L331-R333 PolarHBondContact O-N 2.86Å; R333-G335 PolarHBondContact O-N 3.04Å
334	M	73.4	Confident	62.8	Low	147 Å²	147	95.9 Å²	95.9	72%	0.724	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	4.5	172.6	-65.2	171.2	75.1	0	0	113.3	A330 L331 Q332 V336	A330-M334 WeakPolarHBondContact O-CG 3.06Å; A330-M334 PolarHBondContact O-N 3.33Å; L331-M334 CarbonylContact O-C 3.59Å; L331-M334 PolarHBondContact O-N 3.23Å; Q332-M334 VanDerWaalsContact C-N 3.28Å; Q332-M334 PolarHBondContact O-N 3.43Å; M334-V336 HydrophobicContact CB-CG2 4.45Å
335	G	48.5	Very low	60.6	Low	55 Å²	55	105 Å²	105	57%	0.567	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	80.9	11.4	178.4	0	0	0	0	0	114.9	L331 Q332 R333 V337	L331-G335 PolarHBondContact O-N 2.98Å; Q332-G335 PolarHBondContact O-N 3.43Å; Q332-G335 VanDerWaalsContact O-N 3.08Å; R333-G335 PolarHBondContact O-N 3.04Å; G335-V337 PolarHBondContact O-N 3.38Å; G335-V337 VanDerWaalsContact O-N 3.1Å
336	V	65.7	Low	58.6	Low	56 Å²	56	107.8 Å²	107.8	34%	0.339	57%	0.571	S	S	.	*			trans	-73.6	103.9	179.5	-176.7	0	0	0	0	109.9	L331 M334 L338	L331-V336 HydrophobicContact CB-CB 4.17Å; L331-V336 HydrophobicContact CB-CG2 4.38Å; L331-V336 HydrophobicContact CD2-CG2 4.06Å; L331-V336 VanDerWaalsContact O-CB 3.3Å; L331-V336 WeakPolarHBondContact O-CB 3.41Å; L331-V336 WeakPolarHBondContact O-CG2 3.27Å; L331-V336 PolarHBondContact O-N 3.29Å; M334-V336 HydrophobicContact CB-CG2 4.45Å; V336-L338 HydrophobicContact CG1-CD2 4.3Å; V336-L338 PolarHBondContact O-N 3Å
337	V	60.6	Low	56.5	Low	114 Å²	114	115.3 Å²	115.3	69%	0.691	59%	0.593	S	S	*	*			trans	-73.4	100.4	177.8	-172.8	0	0	0	0	110.1	G335 Q339	G335-V337 PolarHBondContact O-N 3.38Å; G335-V337 VanDerWaalsContact O-N 3.1Å; V337-Q339 HydrophobicContact CG1-CG 4.01Å; V337-Q339 PolarHBondContact O-N 2.87Å
338	L	62.5	Low	55	Low	60 Å²	60	120.8 Å²	120.8	31%	0.314	61%	0.61	S	S	.	*			trans	-71.8	72.2	172.7	-63.1	178.9	0	0	0	111	I328 V336 H340 I639	I328-L338 HydrophobicContact CG2-CD1 4.04Å; V336-L338 HydrophobicContact CG1-CD2 4.3Å; V336-L338 PolarHBondContact O-N 3Å; L338-H340 PolarHBondContact O-N 3.31Å; L338-I639 HydrophobicContact CD2-CD1 4.07Å
339	Q	48.2	Very low	52.9	Low	131 Å²	131	123.6 Å²	123.6	61%	0.612	63%	0.632	S	S	*	*			trans	-61.5	115.4	170	-69.7	174.5	-30.8	0	0	110	V337 S341	V337-Q339 HydrophobicContact CG1-CG 4.01Å; V337-Q339 PolarHBondContact O-N 2.87Å; Q339-S341 PolarHBondContact O-N 3.34Å; Q339-S341 VanDerWaalsContact O-N 3.1Å
340	H	53.6	Low	50.7	Low	176 Å²	176	126.1 Å²	126.1	82%	0.815	66%	0.656	S	S	*	*			trans	-63.8	106	161.7	-73.9	-86.2	0	0	0	109.1	L338 P342	L338-H340 PolarHBondContact O-N 3.31Å; H340-P342 WeakPolarHBondContact O-CD 3.37Å
341	S	39.8	Very low	49.1	Very low	85 Å²	85	131.9 Å²	131.9	59%	0.594	68%	0.677	S	S	*	*			trans	-60.2	124.3	159.8	-57	0	0	0	0	107.8	Q339 I343	Q339-S341 PolarHBondContact O-N 3.34Å; Q339-S341 VanDerWaalsContact O-N 3.1Å; S341-I343 PolarHBondContact O-N 2.85Å
342	P	40.2	Very low	47.1	Very low	114 Å²	114	135 Å²	135	74%	0.74	70%	0.702	S	S	*	*			trans	-57.2	134.3	168.3	-21.2	33	0	0	0	108.4	H340 M344	H340-P342 WeakPolarHBondContact O-CD 3.37Å; P342-M344 PolarHBondContact O-N 3.33Å
343	I	42.1	Very low	45.5	Very low	155 Å²	155	137.2 Å²	137.2	80%	0.795	72%	0.716	S	S	*	*			trans	-61.2	110.4	170.2	-65.7	172.7	0	0	0	106.3	S341 R345	S341-I343 PolarHBondContact O-N 2.85Å; I343-R345 VanDerWaalsContact C-N 3.34Å; I343-R345 PolarHBondContact O-N 2.73Å
344	M	34.7	Very low	43.6	Very low	179 Å²	179	136.3 Å²	136.3	88%	0.882	72%	0.72	S	S	*	*			trans	-66	99.5	174.4	-66.3	-159.5	82	0	0	107.8	P342 S346	P342-M344 PolarHBondContact O-N 3.33Å; M344-S346 PolarHBondContact O-N 3.37Å
345	R	34.7	Very low	41.7	Very low	229 Å²	229	132.1 Å²	132.1	86%	0.864	72%	0.715	S	S	*	*			trans	-55.2	113.8	160.9	-71.9	-176.9	175.6	-177.3	-1.7	106.2	I343 R347	I343-R345 VanDerWaalsContact C-N 3.34Å; I343-R345 PolarHBondContact O-N 2.73Å; R345-R347 PolarHBondContact O-N 3.23Å
346	S	39.8	Very low	41.1	Very low	96 Å²	96	138.5 Å²	138.5	67%	0.671	73%	0.732	S	S	*	*			trans	-59.1	102.7	175.3	46.7	0	0	0	0	108.7	M344 H348	M344-S346 PolarHBondContact O-N 3.37Å; S346-H348 PolarHBondContact O-N 3.3Å
347	R	33.2	Very low	39.5	Very low	245 Å²	245	142.9 Å²	142.9	93%	0.925	75%	0.754	S	S	*	*			trans	-61.6	106	163.4	-82.1	-177.7	165.6	177.3	-5.4	106.2	R345	R345-R347 PolarHBondContact O-N 3.23Å
348	H	39.7	Very low	38.1	Very low	163 Å²	163	147.9 Å²	147.9	76%	0.755	76%	0.76	S	S	*	*			trans	-56.3	134.2	167.2	-79.4	-103.7	0	0	0	108.1	S346 S350	S346-H348 PolarHBondContact O-N 3.3Å; H348-S350 PolarHBondContact O-N 2.9Å
349	P	36	Very low	36.7	Very low	112 Å²	112	150.2 Å²	150.2	73%	0.727	78%	0.782	S	S	*	*			trans	-63.1	126.3	166.8	27.7	-32.3	0	0	0	108	M351	P349-M351 VanDerWaalsContact C-N 3.34Å; P349-M351 PolarHBondContact O-N 3.45Å
350	S	30.8	Very low	35.9	Very low	117 Å²	117	152.2 Å²	152.2	82%	0.818	79%	0.788	S	S	*	*			trans	-74.3	86.4	178.6	52.2	0	0	0	0	110	H348 S352	H348-S350 PolarHBondContact O-N 2.9Å; S350-S352 PolarHBondContact O-N 3.19Å
351	M	34.8	Very low	34.8	Very low	165 Å²	165	151 Å²	151	81%	0.813	78%	0.783	S	S	*	*			trans	-67.4	102.4	166.7	-79	-63.6	-66.7	0	0	109	P349 I353	P349-M351 VanDerWaalsContact C-N 3.34Å; P349-M351 PolarHBondContact O-N 3.45Å; M351-I353 PolarHBondContact O-N 3.08Å
352	S	30.2	Very low	34.5	Very low	108 Å²	108	154 Å²	154	76%	0.755	79%	0.792	S	S	*	*			trans	-67.4	114.3	176.2	49.9	0	0	0	0	110.7	S350	S350-S352 PolarHBondContact O-N 3.19Å
353	I	34.3	Very low	34.2	Very low	161 Å²	161	155.3 Å²	155.3	83%	0.826	79%	0.789	S	S	*	*			trans	-100.4	103.5	165.1	-61.6	178.7	0	0	0	107.3	M351	M351-I353 PolarHBondContact O-N 3.08Å
354	H	32.3	Very low	33.7	Very low	194 Å²	194	153.4 Å²	153.4	90%	0.898	78%	0.784	S	S	*	*			trans	-128.8	105.2	171.7	-141.4	69.3	0	0	0	106.5
355	G	33.3	Very low	33.9	Very low	59 Å²	59	153.2 Å²	153.2	61%	0.608	78%	0.779	S	S	*	*			trans	178.1	101.4	-170.7	0	0	0	0	0	112.9
356	M	36.9	Very low	34	Very low	189 Å²	189	153.3 Å²	153.3	93%	0.931	78%	0.779	S	S	*	*			trans	39.2	97.4	150.5	-66.4	140	156.7	0	0	117.1
357	N	31	Very low	34	Very low	149 Å²	149	154.9 Å²	154.9	80%	0.797	79%	0.787	S	S	*	*				75.8	126.2	54.6	-150.7	4.9	0	0	0	114.6
358	R	31.5	Very low	34.3	Very low	219 Å²	219	152.4 Å²	152.4	83%	0.826	78%	0.783	S	S	*	*			trans	90.8	140.8	163	-64.6	-172	170	-163.5	-3.6	122.1
359	S	34.7	Very low	34.2	Very low	109 Å²	109	150.3 Å²	150.3	76%	0.762	78%	0.784	S	S	*	*			trans	72.5	146.1	158.6	-54.1	0	0	0	0	119.9
360	F	31.2	Very low	34.8	Very low	172 Å²	172	150.8 Å²	150.8	75%	0.754	79%	0.787	S	S	*	*			cis	-166.9	126.9	-46.7	-135.8	-93.2	0	0	0	106.2
361	E	30.9	Very low	34.9	Very low	150 Å²	150	153.8 Å²	153.8	70%	0.701	79%	0.788	S	S	*	*			trans	49.1	147	156.4	-68.6	-178.8	159.8	0	0	125.3
362	N	32	Very low	35.5	Very low	148 Å²	148	152.9 Å²	152.9	79%	0.791	79%	0.792	S	S	*	*			trans	95.5	159.2	144.9	-68.9	-28.4	0	0	0	123.8
363	E	34.9	Very low	35.8	Very low	143 Å²	143	153.4 Å²	153.4	67%	0.668	79%	0.79	S	S	*	*			trans	69.3	77.6	179.4	-79.2	-64.1	93.3	0	0	120.2	K365	E363-K365 IonicContact OE2-NZ 2.81Å; E363-K365 PolarHBondContact OE2-NZ 3.47Å
364	T	31.9	Very low	36.2	Very low	114 Å²	114	149 Å²	149	70%	0.699	79%	0.785	S	S	*	*			trans	-30.1	138.2	144.7	23	0	0	0	0	117.5
365	K	37.2	Very low	36.6	Very low	176 Å²	176	147.3 Å²	147.3	77%	0.765	78%	0.777	S	S	*	*				-170.6	151.1	123.6	-93.5	135	-157.8	148.6	0	113	E363	E363-K365 IonicContact OE2-NZ 2.81Å; E363-K365 PolarHBondContact OE2-NZ 3.47Å
366	R	37	Very low	36.9	Very low	231 Å²	231	151.9 Å²	151.9	87%	0.872	78%	0.782	S	S	*	*			trans	-135	161.5	167.6	-77.4	-165.7	-171.7	-143.1	7.8	109
367	P	40.8	Very low	36.9	Very low	129 Å²	129	149.3 Å²	149.3	84%	0.838	77%	0.772	S	S	*	*			trans	-116	177.8	133.3	-8.9	28.9	0	0	0	114.5
368	K	38.2	Very low	37.3	Very low	192 Å²	192	149.6 Å²	149.6	84%	0.835	77%	0.772	S	S	*	*			trans	-120.6	160.8	176.8	-64.5	175.6	-178.9	174	0	110.2
369	P	38.9	Very low	37.5	Very low	119 Å²	119	143.6 Å²	143.6	77%	0.773	76%	0.764	S	S	*	*			trans	-73.1	158.5	161.6	32.9	-35.1	0	0	0	111.9
370	P	47.4	Very low	37.6	Very low	122 Å²	122	143.4 Å²	143.4	79%	0.792	76%	0.763	S	S	*	*			trans	-90.6	166.3	-170.7	36.1	-37.1	0	0	0	115.4
371	Q	33.2	Very low	37.9	Very low	181 Å²	181	140.5 Å²	140.5	85%	0.846	76%	0.764	S	S	*	*			trans	-117.8	159.9	159.3	-74.5	-175.3	-31	0	0	109.3
372	V	48.4	Very low	38.2	Very low	146 Å²	146	139.4 Å²	139.4	89%	0.885	77%	0.769	S	S	*	*			trans	-134.8	146.7	163.9	-178.4	0	0	0	0	108
373	T	36.4	Very low	38.8	Very low	118 Å²	118	138.9 Å²	138.9	72%	0.724	77%	0.772	S	S	*	*			trans	-120.1	157.6	-161.8	43.6	0	0	0	0	113.9
374	G	41.9	Very low	39.3	Very low	69 Å²	69	137.6 Å²	137.6	71%	0.711	78%	0.776	S	S	*	*			trans	-168.6	80	178.4	0	0	0	0	0	113.3
375	H	41.8	Very low	40.1	Very low	158 Å²	158	137.7 Å²	137.7	73%	0.731	78%	0.779	S	S	*	*				23.8	142.3	125.3	-60.7	-80.5	0	0	0	120.6
376	Q	38.3	Very low	40.3	Very low	155 Å²	155	135.2 Å²	135.2	72%	0.724	78%	0.78	S	S	*	*			cis	-172	171.4	-13.4	-160.7	176.4	32.9	0	0	110.5
377	L	37.8	Very low	40	Very low	136 Å²	136	130.6 Å²	130.6	71%	0.712	78%	0.778	S	S	*	*			trans	93.5	119	156.4	-55.8	174.1	0	0	0	120.9
378	L	38.4	Very low	39.8	Very low	154 Å²	154	130.9 Å²	130.9	81%	0.806	78%	0.777	S	S	*	*			trans	53.4	146.7	148	-76.4	80.8	0	0	0	121.2
379	S	36.8	Very low	39.4	Very low	94 Å²	94	127 Å²	127	66%	0.657	78%	0.775	S	S	*	*			cis	-165.1	159.1	-18.5	46.6	0	0	0	0	111.5
380	S	36.4	Very low	39.2	Very low	105 Å²	105	131 Å²	131	73%	0.734	78%	0.78	S	S	*	*			trans	2.3	148.3	156.9	55.6	0	0	0	0	121.5
381	S	36.9	Very low	38.3	Very low	111 Å²	111	134.5 Å²	134.5	78%	0.776	79%	0.785	S	S	*	*			cis	-172.7	165.6	-5.6	47.8	0	0	0	0	109.2
382	P	38.1	Very low	38.5	Very low	126 Å²	126	131.3 Å²	131.3	82%	0.818	78%	0.783	S	S	*	*			trans	-97.3	158.2	-165.5	37	-35.9	0	0	0	116.1
383	T	43.8	Very low	37.8	Very low	137 Å²	137	130.3 Å²	130.3	84%	0.84	78%	0.782	S	S	*	*			trans	-132.1	147.7	168.1	44.5	0	0	0	0	112
384	P	45.2	Very low	37.9	Very low	116 Å²	116	130.2 Å²	130.2	75%	0.753	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-94.8	160.8	-178.9	37.2	-35.2	0	0	0	113.6
385	P	49.3	Very low	37.6	Very low	117 Å²	117	134.8 Å²	134.8	76%	0.76	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-78.6	149.8	176	32.7	-35.3	0	0	0	113.1
386	P	40.8	Very low	37.2	Very low	123 Å²	123	134.2 Å²	134.2	80%	0.799	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-82.8	159.4	-177.8	33.7	-36.2	0	0	0	114.1
387	T	30.8	Very low	36.8	Very low	134 Å²	134	133 Å²	133	82%	0.822	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-88.9	139.1	175.7	-50.6	0	0	0	0	110.8
388	V	36.6	Very low	36.6	Very low	136 Å²	136	135 Å²	135	82%	0.824	79%	0.792	S	S	*	*			trans	-134.4	137.7	165.1	-177.6	0	0	0	0	109.8
389	S	31.1	Very low	36.5	Very low	111 Å²	111	136 Å²	136	78%	0.776	79%	0.79	S	S	*	*			trans	-84.7	162.6	-172.3	-58.8	0	0	0	0	113.8
390	K	33.1	Very low	36.1	Very low	202 Å²	202	141.2 Å²	141.2	88%	0.878	80%	0.801	S	S	*	*			trans	-82.6	158	167.6	-54.8	172.7	-179.9	175.9	0	110.5
391	E	29	Very low	36.1	Very low	195 Å²	195	142.2 Å²	142.2	91%	0.911	81%	0.805	S	S	*	*				-154	172.4	126.7	-128.9	170	-160.4	0	0	113.4
392	S	36.7	Very low	35.8	Very low	115 Å²	115	142.9 Å²	142.9	80%	0.804	81%	0.81	S	S	*	*			trans	-163	147	-170.1	57	0	0	0	0	110.3
393	S	34.3	Very low	35.6	Very low	124 Å²	124	140.6 Å²	140.6	87%	0.867	81%	0.809	S	S	*	*			trans	-131.1	147.1	-178.1	-164.6	0	0	0	0	113.9
394	P	39.6	Very low	35	Very low	116 Å²	116	141.8 Å²	141.8	75%	0.753	81%	0.808	S	S	*	*			trans	-131.2	175.9	-163.9	43.8	-28	0	0	0	117.1
395	M	35.7	Very low	34.4	Very low	166 Å²	166	145.6 Å²	145.6	82%	0.818	81%	0.813	S	S	*	*			trans	-153.1	149.4	165.6	-85.1	-163.6	84.2	0	0	109.3
396	E	33.4	Very low	33.6	Very low	145 Å²	145	149.9 Å²	149.9	68%	0.678	81%	0.814	S	S	*	*			cis	-157.4	-143.5	-14.1	-151.1	-139.6	95.5	0	0	111
397	L	29.3	Very low	33.1	Very low	130 Å²	130	154 Å²	154	68%	0.681	82%	0.82	S	S	*	*			trans	-72.8	147.6	-175.4	-98.5	53.9	0	0	0	116.4
398	M	32.5	Very low	33.2	Very low	178 Å²	178	153 Å²	153	88%	0.877	81%	0.814	S	S	*	*				-164.1	156.2	108.3	-112.6	-164.7	166.2	0	0	116.3
399	K	36.5	Very low	33.2	Very low	176 Å²	176	152 Å²	152	77%	0.765	81%	0.813	S	S	*	*			trans	-66.7	149.8	-163.1	-60.5	162.9	-179	174.1	0	115.8
400	K	29.7	Very low	33.3	Very low	203 Å²	203	156.3 Å²	156.3	88%	0.883	82%	0.818	S	S	*	*			trans	-74.9	161.6	160.7	-69.5	178.3	178.2	173.2	0	111.4
401	P	36.4	Very low	33.4	Very low	125 Å²	125	155.2 Å²	155.2	81%	0.812	81%	0.813	S	S	*	*				-125.2	164.2	128.4	36.9	-31.7	0	0	0	113.3
402	S	30.5	Very low	33.5	Very low	126 Å²	126	149.5 Å²	149.5	88%	0.881	81%	0.807	S	S	*	*			trans	-82.3	147.4	174.4	40.3	0	0	0	0	112
403	G	34.2	Very low	33.4	Very low	78 Å²	78	152.6 Å²	152.6	80%	0.804	81%	0.806	S	S	*	*			trans	-145.7	110.3	179.2	0	0	0	0	0	112.2
404	I	30.7	Very low	33.5	Very low	161 Å²	161	153.3 Å²	153.3	83%	0.826	81%	0.805	S	S	*	*			trans	-84.9	130.4	175.1	-62.7	160.2	0	0	0	108.6
405	F	32.6	Very low	33.1	Very low	197 Å²	197	159.6 Å²	159.6	86%	0.864	81%	0.814	S	S	*	*			trans	-146.8	159	150.9	-124.8	-86.4	0	0	0	113.5
406	R	31.8	Very low	33.3	Very low	206 Å²	206	160.2 Å²	160.2	78%	0.777	81%	0.812	S	S	*	*			trans	-85.7	145.3	-158.4	-64.6	171.8	172.6	156.2	-3.6	113.9
407	K	30.1	Very low	33.4	Very low	209 Å²	209	158.5 Å²	158.5	91%	0.909	81%	0.808	S	S	*	*			trans	-69	135.1	151.1	-75.2	180	175.9	176.3	0	109.2
408	T	33.4	Very low	33.9	Very low	114 Å²	114	159.6 Å²	159.6	70%	0.699	81%	0.814	S	S	*	*			trans	-118.5	93.9	168.2	49.8	0	0	0	0	110.2
409	S	35.8	Very low	34	Very low	116 Å²	116	156.8 Å²	156.8	81%	0.811	81%	0.807	S	S	*	*			trans	-89.2	106.9	166.5	52.2	0	0	0	0	109.3	F411	S409-F411 PolarHBondContact O-N 3.31Å
410	F	34.6	Very low	34.1	Very low	200 Å²	200	154.1 Å²	154.1	88%	0.877	81%	0.806	S	S	*	*			trans	-80.1	108.8	170.6	-91.9	-88.8	0	0	0	110.2
411	F	33.7	Very low	34.4	Very low	179 Å²	179	150.3 Å²	150.3	79%	0.785	80%	0.799	S	S	*	*			trans	-137	101.4	160.7	-158.2	-84.5	0	0	0	108	S409 K413	S409-F411 PolarHBondContact O-N 3.31Å; F411-K413 PolarHBondContact O-N 2.95Å
412	G	31.1	Very low	34.4	Very low	75 Å²	75	149.8 Å²	149.8	77%	0.773	80%	0.799	S	S	*	*			trans	-77.2	121.8	-177.5	0	0	0	0	0	111.3
413	K	35.8	Very low	34.7	Very low	180 Å²	180	149.1 Å²	149.1	78%	0.783	79%	0.794	S	S	*	*			trans	-131.1	133.6	160.7	-100	-173.7	173.3	-177.7	0	111.3	F411	F411-K413 PolarHBondContact O-N 2.95Å
414	T	36.4	Very low	35	Very low	139 Å²	139	150 Å²	150	85%	0.853	79%	0.794	S	S	*	*			trans	-33.4	139	173.2	47.6	0	0	0	0	115.8
415	R	30.5	Very low	35.3	Very low	249 Å²	249	147.1 Å²	147.1	94%	0.94	79%	0.788	S	S	*	*			trans	-101.9	139.7	160.7	-86.6	-174	169.3	-172	-4.7	111.2
416	K	40.9	Very low	35.7	Very low	179 Å²	179	144.1 Å²	144.1	78%	0.778	78%	0.781	S	S	*	*			trans	-158.2	145.6	160.3	-89.2	-169.7	141.7	-84.7	0	104.6
417	D	34.3	Very low	36.1	Very low	109 Å²	109	141.9 Å²	141.9	58%	0.583	79%	0.785	S	S	*	*			cis	-139.5	-177.9	-22.3	-78.9	-48.9	0	0	0	106.4
418	D	40.4	Very low	36.5	Very low	152 Å²	152	135.3 Å²	135.3	81%	0.813	78%	0.776	S	S	*	*			trans	153.3	94	141.5	-79	-23.4	0	0	0	113.7
419	T	34.9	Very low	36.9	Very low	119 Å²	119	135.8 Å²	135.8	73%	0.73	78%	0.779	S	S	*	*				27.7	117	123.9	-36.7	0	0	0	0	117.8
420	T	38.1	Very low	37.1	Very low	121 Å²	121	139.7 Å²	139.7	74%	0.742	78%	0.782	S	S	*	*				-169.9	135.7	97.4	19.4	0	0	0	0	115.6
421	T	35.7	Very low	37.4	Very low	122 Å²	122	136.3 Å²	136.3	75%	0.748	78%	0.777	S	S	*	*			trans	59.4	134.6	143.9	54	0	0	0	0	124.5
422	S	38	Very low	37.7	Very low	115 Å²	115	136.6 Å²	136.6	80%	0.804	78%	0.778	S	S	*	*			trans	74	147.2	151.2	77	0	0	0	0	119.1
423	S	36.1	Very low	38.2	Very low	111 Å²	111	139.9 Å²	139.9	78%	0.776	78%	0.778	S	S	*	*			cis	-165.8	174.4	-21.8	53.5	0	0	0	0	110.7
424	A	40.3	Very low	38.4	Very low	98 Å²	98	140.8 Å²	140.8	81%	0.81	78%	0.782	S	S	*	*			trans	66.8	129	-174.8	0	0	0	0	0	115.2
425	S	37.2	Very low	38.6	Very low	100 Å²	100	137.9 Å²	137.9	70%	0.699	77%	0.772	S	S	*	*			cis	101.1	106	22.1	-167.8	0	0	0	0	114.2
426	N	41.1	Very low	39.1	Very low	134 Å²	134	131.9 Å²	131.9	72%	0.717	76%	0.763	S	S	*	*				179.3	128.5	116.4	-87.6	-7.9	0	0	0	114.3
427	N	40.2	Very low	39	Very low	158 Å²	158	130.7 Å²	130.7	85%	0.845	76%	0.76	S	S	*	*			trans	48.3	130	138.5	-56.2	-20.5	0	0	0	123.2
428	G	39	Very low	39	Very low	71 Å²	71	132.4 Å²	132.4	73%	0.732	77%	0.769	S	S	*	*			trans	170.9	80.4	161.2	0	0	0	0	0	116.8
429	T	40.6	Very low	39.1	Very low	125 Å²	125	132 Å²	132	77%	0.767	77%	0.772	S	S	*	*			trans	30.3	120	154.8	43.4	0	0	0	0	121.1
430	K	41.1	Very low	39.3	Very low	197 Å²	197	130.6 Å²	130.6	86%	0.857	77%	0.767	S	S	*	*				57.5	133	86.9	-69.2	178.1	177.1	175.2	0	113.8
431	T	39.7	Very low	39.3	Very low	129 Å²	129	131.9 Å²	131.9	79%	0.791	77%	0.769	S	S	*	*			cis	-143.1	155.4	21	37.6	0	0	0	0	110.7
432	K	41.3	Very low	39.4	Very low	185 Å²	185	130.9 Å²	130.9	80%	0.804	77%	0.765	S	S	*	*			cis	99	100	36.4	-141.9	-163.4	-163	-168.6	0	113.9
433	N	40.7	Very low	39.1	Very low	144 Å²	144	130.7 Å²	130.7	77%	0.77	76%	0.764	S	S	*	*			trans	172.5	128.1	136.2	-82.7	-16.4	0	0	0	108.7
434	K	40.7	Very low	39.2	Very low	200 Å²	200	132.7 Å²	132.7	87%	0.87	77%	0.772	S	S	*	*				65.8	132.8	71.8	-92.6	-164.1	172.9	-164.9	0	112.9
435	A	40	Very low	38.9	Very low	78 Å²	78	132.6 Å²	132.6	65%	0.645	77%	0.765	S	S	*	*			cis	-157.1	165.1	17.2	0	0	0	0	0	114.3
436	V	41.1	Very low	39.1	Very low	122 Å²	122	137.4 Å²	137.4	74%	0.739	78%	0.776	S	S	*	*				63.1	140.5	127	159.3	0	0	0	0	119.4
437	E	38.9	Very low	39	Very low	155 Å²	155	139.8 Å²	139.8	72%	0.724	78%	0.78	S	S	*	*			cis	-150.5	134.9	1.2	-122.7	152.2	-159.1	0	0	108
438	N	35	Very low	38.9	Very low	145 Å²	145	140.6 Å²	140.6	78%	0.775	78%	0.784	S	S	*	*				78	163.7	93.4	-76.8	-11.2	0	0	0	119.2
439	V	41.3	Very low	38.8	Very low	142 Å²	142	144.3 Å²	144.3	86%	0.861	78%	0.78	S	S	*	*			trans	97.2	136.5	164.3	-167.3	0	0	0	0	117.3
440	S	39.7	Very low	38.6	Very low	91 Å²	91	146.7 Å²	146.7	64%	0.636	79%	0.787	S	S	*	*			trans	-77.8	-170.1	-161.7	59.8	0	0	0	0	115.1
441	D	37.5	Very low	38.2	Very low	147 Å²	147	142.3 Å²	142.3	79%	0.786	77%	0.773	S	S	*	*			cis	-150.8	169.3	15.8	-111.4	-46.9	0	0	0	112.4
442	P	37.9	Very low	38	Very low	101 Å²	101	144.8 Å²	144.8	66%	0.656	78%	0.781	S	S	*	*			trans	-109.1	173.4	-178.5	40.6	-31.9	0	0	0	115.5
443	S	32.8	Very low	37.6	Very low	112 Å²	112	140.6 Å²	140.6	78%	0.783	78%	0.775	S	S	*	*			trans	88.1	123.7	160.2	83.7	0	0	0	0	119.7
444	T	38	Very low	37.4	Very low	153 Å²	153	140.7 Å²	140.7	94%	0.939	78%	0.781	S	S	*	*			trans	-161	149.1	133.8	1.8	0	0	0	0	108.7
445	S	33.7	Very low	37.1	Very low	96 Å²	96	140.7 Å²	140.7	67%	0.671	78%	0.781	S	S	*	*			trans	-117.2	141.8	-174.2	65.4	0	0	0	0	111.8
446	H	41.8	Very low	37	Very low	200 Å²	200	143 Å²	143	93%	0.926	79%	0.792	S	S	*	*			trans	-133.5	135.1	153.4	-94.8	-81.4	0	0	0	112.1
447	K	38.1	Very low	36.6	Very low	185 Å²	185	146.7 Å²	146.7	80%	0.804	80%	0.798	S	S	*	*			trans	-89.1	152.3	176.2	-60.2	164.4	-177.7	166.8	0	108.9
448	N	38	Very low	36.3	Very low	174 Å²	174	150 Å²	150	93%	0.93	80%	0.804	S	S	*	*				-149.3	148.1	129	-109.5	-27.6	0	0	0	111
449	K	36.1	Very low	36.1	Very low	150 Å²	150	152.5 Å²	152.5	65%	0.652	81%	0.808	S	S	*	*			trans	-142	132.2	-166.5	-178	-162	177.4	-157.5	0	109.4	D451	K449-D451 WeakPolarHBondContact CE-OD1 3.43Å; K449-D451 WeakPolarHBondContact CE-OD2 3.47Å; K449-D451 IonicContact NZ-OD1 3.76Å; K449-D451 IonicContact NZ-OD2 2.62Å; K449-D451 PolarHBondContact NZ-OD2 3.07Å
450	L	36.6	Very low	35.8	Very low	175 Å²	175	154.1 Å²	154.1	92%	0.916	81%	0.806	S	S	*	*			trans	-132.6	114.8	159.8	-89.1	166.8	0	0	0	108.6
451	D	32.7	Very low	35.4	Very low	104 Å²	104	155.3 Å²	155.3	56%	0.556	82%	0.815	S	S	*	*			trans	-78.2	153.4	166.2	-77.2	-37.1	0	0	0	109.5	K449	K449-D451 WeakPolarHBondContact CE-OD1 3.43Å; K449-D451 WeakPolarHBondContact CE-OD2 3.47Å; K449-D451 IonicContact NZ-OD1 3.76Å; K449-D451 IonicContact NZ-OD2 2.62Å; K449-D451 PolarHBondContact NZ-OD2 3.07Å
452	L	36.9	Very low	35.4	Very low	182 Å²	182	152.4 Å²	152.4	95%	0.953	82%	0.819	S	S	*	*				-145.9	131.9	124.1	-139.2	83.7	0	0	0	109
453	S	31.4	Very low	35.2	Very low	96 Å²	96	157.8 Å²	157.8	67%	0.671	83%	0.832	S	S	*	*			trans	-139	135	-179.3	77.2	0	0	0	0	111.4
454	T	38	Very low	35.2	Very low	147 Å²	147	155.8 Å²	155.8	90%	0.902	83%	0.829	S	S	*	*			trans	-130.5	117.7	165.6	33.3	0	0	0	0	109.5
455	K	34.9	Very low	35	Very low	200 Å²	200	158.2 Å²	158.2	87%	0.87	83%	0.827	S	S	*	*			trans	-77.1	151.2	172.2	-61.8	164.8	-178.9	164.6	0	109
456	S	36.1	Very low	34.8	Very low	125 Å²	125	161.4 Å²	161.4	87%	0.874	83%	0.833	S	S	*	*				-155.2	150.8	119.8	-145.9	0	0	0	0	112.6
457	K	33.7	Very low	34.3	Very low	200 Å²	200	159.6 Å²	159.6	87%	0.87	83%	0.83	S	S	*	*			trans	-104.3	146	173.6	-68.9	175.3	176.8	174.7	0	108.9
458	R	31.9	Very low	33.9	Very low	225 Å²	225	158.5 Å²	158.5	85%	0.849	83%	0.828	S	S	*	*			trans	-149.9	136.1	133	-140.9	168.9	175.3	137.1	-1.4	110.6
459	K	31.3	Very low	33.5	Very low	197 Å²	197	160.6 Å²	160.6	86%	0.857	82%	0.822	S	S	*	*			trans	-89	148.4	159.7	-73.5	-179.2	173.6	-177.3	0	106.9
460	E	35.3	Very low	33.5	Very low	176 Å²	176	160.9 Å²	160.9	82%	0.822	83%	0.826	S	S	*	*			trans	-153.7	158.2	142.5	-130.3	143.7	-119.2	0	0	110.2
461	S	30.4	Very low	33.2	Very low	117 Å²	117	161.3 Å²	161.3	82%	0.818	82%	0.82	S	S	*	*			trans	-134.1	113.2	-170.2	56.1	0	0	0	0	111
462	G	37.4	Very low	33.2	Very low	86 Å²	86	164 Å²	164	89%	0.887	83%	0.834	S	S	*	*			trans	-98.8	144.7	174.2	0	0	0	0	0	112.3
463	K	34.6	Very low	32.9	Very low	214 Å²	214	159.9 Å²	159.9	93%	0.93	82%	0.821	S	S	*	*			trans	-111.7	157.3	177.4	-66.6	175.9	179	174.5	0	110.8
464	G	31.5	Very low	33.1	Very low	70 Å²	70	163.1 Å²	163.1	72%	0.722	83%	0.826	S	S	*	*			trans	101.1	151.8	166.5	0	0	0	0	0	114
465	F	34.2	Very low	33	Very low	204 Å²	204	164 Å²	164	90%	0.895	82%	0.819	S	S	*	*			cis	-129.5	156.2	2.6	-109.6	-97.4	0	0	0	112.4
466	M	29.4	Very low	32.9	Very low	162 Å²	162	159.5 Å²	159.5	80%	0.798	81%	0.813	S	S	*	*			trans	-122.8	134	173	172.5	-171.5	71.9	0	0	108
467	L	32.7	Very low	32.9	Very low	162 Å²	162	159.1 Å²	159.1	85%	0.848	81%	0.806	S	S	*	*			trans	-147	120.5	169.6	-105.4	152.3	0	0	0	110.5
468	Q	28.7	Very low	33	Very low	163 Å²	163	154.5 Å²	154.5	76%	0.762	80%	0.799	S	S	*	*			trans	-103	-178.7	165.2	-71.4	-174.8	-16.7	0	0	109.3
469	R	29.2	Very low	33.3	Very low	217 Å²	217	148.9 Å²	148.9	82%	0.819	79%	0.794	S	S	*	*			trans	85.1	151.2	171.8	-63.9	172.1	167.1	-164.1	-4.3	114.9
470	H	35.7	Very low	33.7	Very low	157 Å²	157	146.2 Å²	146.2	73%	0.727	79%	0.789	S	S	*	*			cis	-135.3	-174.5	-0.6	-119.9	-52.9	0	0	0	112
471	K	31.6	Very low	33.7	Very low	183 Å²	183	142.5 Å²	142.5	80%	0.796	78%	0.783	S	S	*	*			trans	-93	177.3	173.9	-68.1	-177.9	175.2	-179.3	0	110.7
472	N	33.4	Very low	34.2	Very low	160 Å²	160	141.5 Å²	141.5	86%	0.856	77%	0.774	S	S	*	*			trans	84.7	148.8	171.9	-57.8	3.2	0	0	0	114.7
473	S	29.8	Very low	33.7	Very low	97 Å²	97	143.5 Å²	143.5	68%	0.678	77%	0.774	S	S	*	*			cis	-167.2	157.9	-23.5	-168.8	0	0	0	0	110.5
474	Q	35.1	Very low	33.8	Very low	164 Å²	164	139.9 Å²	139.9	77%	0.766	76%	0.763	S	S	*	*			trans	67.6	148.1	162.3	-76.2	169.1	-0.3	0	0	121.6
475	Q	35.9	Very low	33.7	Very low	164 Å²	164	144.6 Å²	144.6	77%	0.766	77%	0.77	S	S	*	*			trans	56.6	105.2	151.8	-75.4	168.1	-9.7	0	0	118.8
476	S	32.8	Very low	33.8	Very low	106 Å²	106	140.2 Å²	140.2	74%	0.741	76%	0.762	S	S	*	*				84.6	140.7	75.5	72.4	0	0	0	0	113.2
477	T	37.3	Very low	33.9	Very low	117 Å²	117	141.8 Å²	141.8	72%	0.718	77%	0.765	S	S	*	*			cis	-139.2	176.3	19.2	54	0	0	0	0	112.9
478	S	34.9	Very low	33.9	Very low	103 Å²	103	141.5 Å²	141.5	72%	0.72	76%	0.762	S	S	*	*			trans	34.3	129.8	145.4	59.7	0	0	0	0	120.2
479	S	39	Very low	34.2	Very low	107 Å²	107	139.5 Å²	139.5	75%	0.748	77%	0.766	S	S	*	*			cis	-173.5	175	10.5	58.8	0	0	0	0	108.7
480	D	37.8	Very low	34.3	Very low	141 Å²	141	135 Å²	135	75%	0.754	76%	0.763	S	S	*	*			cis	-141.6	-126.2	3.4	-160	-105.3	0	0	0	113
481	S	35.4	Very low	34.2	Very low	99 Å²	99	133.9 Å²	133.9	69%	0.692	77%	0.767	S	S	*	*			trans	-169.1	-174.3	-163.2	-92.3	0	0	0	0	111.4
482	P	41.5	Very low	34.3	Very low	96 Å²	96	129.4 Å²	129.4	62%	0.623	76%	0.759	S	S	*	*			cis	-128.6	173.4	-19.9	23.2	-1.8	0	0	0	114.1	I484	P482-I484 HydrophobicContact CB-CG1 4.2Å; P482-I484 HydrophobicContact CG-CD1 4.33Å; P482-I484 HydrophobicContact CG-CG1 4.29Å
483	S	28.1	Very low	34.3	Very low	127 Å²	127	130.4 Å²	130.4	89%	0.888	76%	0.758	S	S	*	*			trans	-110.5	145.6	146.1	-68.6	0	0	0	0	108.8
484	I	35.4	Very low	34.6	Very low	138 Å²	138	130 Å²	130	71%	0.708	76%	0.755	S	S	*	*			trans	-122.8	121.3	-172.4	-61.5	-179.7	0	0	0	112.8	P482	P482-I484 HydrophobicContact CB-CG1 4.2Å; P482-I484 HydrophobicContact CG-CD1 4.33Å; P482-I484 HydrophobicContact CG-CG1 4.29Å
485	I	30.7	Very low	34.6	Very low	169 Å²	169	129.5 Å²	129.5	87%	0.867	76%	0.758	S	S	*	*			trans	-144.7	128.1	157.1	-54	175.5	0	0	0	106.9
486	P	34.6	Very low	34.6	Very low	112 Å²	112	126.1 Å²	126.1	73%	0.727	75%	0.753	S	S	*	*			trans	-124.2	161.8	169.5	34.1	-20.2	0	0	0	114.8
487	K	32.3	Very low	34.7	Very low	196 Å²	196	132.1 Å²	132.1	85%	0.852	76%	0.759	S	S	*	*			trans	-137.9	126.9	169.6	-84.4	-174	174.7	-178.4	0	111.4
488	I	33.2	Very low	34.6	Very low	156 Å²	156	131.4 Å²	131.4	80%	0.8	76%	0.759	S	S	*	*			trans	20.6	130	141.6	-49.3	171.6	0	0	0	119.7	V490	I488-V490 HydrophobicContact CG2-CG2 4.2Å
489	S	33.5	Very low	34.7	Very low	121 Å²	121	131.9 Å²	131.9	85%	0.846	76%	0.762	S	S	*	*			trans	-145.6	175.7	146	56	0	0	0	0	110.5
490	V	32.5	Very low	34.6	Very low	123 Å²	123	131.4 Å²	131.4	75%	0.745	76%	0.759	S	S	*	*			trans	-148.5	150.4	-152.8	174.9	0	0	0	0	113.6	I488	I488-V490 HydrophobicContact CG2-CG2 4.2Å
491	T	33	Very low	34.6	Very low	132 Å²	132	134 Å²	134	81%	0.81	76%	0.763	S	S	*	*			trans	-173.8	136.7	146.9	10.8	0	0	0	0	115.5
492	S	34	Very low	34.7	Very low	90 Å²	90	133.5 Å²	133.5	63%	0.629	76%	0.76	S	S	*	*			trans	23.3	149.7	143.4	58.1	0	0	0	0	123
493	E	34.4	Very low	34.4	Very low	181 Å²	181	137.7 Å²	137.7	85%	0.846	77%	0.771	S	S	*	*			cis	176.4	177.9	-10.7	-111	158.2	-91.4	0	0	108.7
494	S	35	Very low	34.8	Very low	87 Å²	87	135.7 Å²	135.7	61%	0.608	76%	0.762	S	S	*	*			cis	-165.6	177.5	-7.5	57.1	0	0	0	0	111
495	N	34.8	Very low	34.9	Very low	154 Å²	154	135.8 Å²	135.8	82%	0.824	77%	0.769	S	S	*	*			trans	66.1	148.1	162.9	-73.8	-36.6	0	0	0	120.4
496	S	35.4	Very low	35.1	Very low	94 Å²	94	134 Å²	134	66%	0.657	77%	0.766	S	S	*	*			cis	-167.4	164.8	-18.5	66.9	0	0	0	0	114
497	R	34.9	Very low	35.1	Very low	231 Å²	231	134.6 Å²	134.6	87%	0.872	77%	0.767	S	S	*	*			trans	83.9	116.4	153.7	-78.8	-176.9	169.4	172.7	-2.1	125
498	S	37	Very low	35.3	Very low	103 Å²	103	131.1 Å²	131.1	72%	0.72	77%	0.768	S	S	*	*				91.4	118.4	120.8	64.7	0	0	0	0	126.2
499	S	36.9	Very low	35.4	Very low	112 Å²	112	128.8 Å²	128.8	78%	0.783	76%	0.763	S	S	*	*			trans	73.9	152.6	140.1	74.7	0	0	0	0	120.7
500	S	37.2	Very low	35.6	Very low	97 Å²	97	130 Å²	130	68%	0.678	76%	0.758	S	S	*	*			cis	-171.4	173.8	-22.5	57.3	0	0	0	0	111.6
501	K	37.7	Very low	35.8	Very low	196 Å²	196	132.4 Å²	132.4	85%	0.852	76%	0.761	S	S	*	*			trans	72.7	156.4	169.1	-64.9	-177	179.7	-177.3	0	118.2
502	S	36.6	Very low	35.7	Very low	88 Å²	88	134.4 Å²	134.4	62%	0.615	76%	0.762	S	S	*	*			cis	-168.1	174.9	-30.8	51.2	0	0	0	0	110.5
503	E	35.8	Very low	35.9	Very low	184 Å²	184	139.6 Å²	139.6	86%	0.86	77%	0.773	S	S	*	*			trans	74.5	148.2	168.7	-61.6	165.3	-153.7	0	0	118.1
504	A	35.1	Very low	35.8	Very low	85 Å²	85	137.4 Å²	137.4	70%	0.702	77%	0.767	S	S	*	*			cis	154.4	166.2	-43.6	0	0	0	0	0	111
505	V	37.4	Very low	35.9	Very low	141 Å²	141	140.5 Å²	140.5	86%	0.855	78%	0.782	S	S	*	*			trans	78.6	132.9	172.3	-176.1	0	0	0	0	114
506	V	36.3	Very low	35.8	Very low	131 Å²	131	138.7 Å²	138.7	79%	0.794	78%	0.782	S	S	*	*			cis	-123.3	160.1	17.3	-175.9	0	0	0	0	112.3
507	T	35.1	Very low	35.9	Very low	125 Å²	125	138.5 Å²	138.5	77%	0.767	79%	0.786	S	S	*	*			trans	-122.4	157.7	172	44.3	0	0	0	0	113.7
508	S	35.1	Very low	35.8	Very low	122 Å²	122	133 Å²	133	85%	0.853	78%	0.783	S	S	*	*			trans	-162.6	106	160.6	-79.5	0	0	0	0	111.9
509	P	35.4	Very low	35.6	Very low	108 Å²	108	134 Å²	134	70%	0.701	79%	0.789	S	S	*	*			trans	-108.1	-152.1	172.4	38.5	-27.5	0	0	0	111.5
510	I	38	Very low	35.3	Very low	145 Å²	145	133.6 Å²	133.6	74%	0.744	79%	0.787	S	S	*	*			trans	85.6	133	176.8	-57	166.8	0	0	0	112.5
511	Q	36.9	Very low	35.1	Very low	175 Å²	175	134.5 Å²	134.5	82%	0.818	79%	0.793	S	S	*	*			cis	-142.7	154	9	-143.5	149.9	48.3	0	0	112.2
512	Q	30.2	Very low	34.8	Very low	174 Å²	174	133.6 Å²	133.6	81%	0.813	79%	0.79	S	S	*	*			trans	-96.9	148.9	156.4	-72.3	175.8	-92.2	0	0	109.6
513	K	39.6	Very low	34.4	Very low	199 Å²	199	137.2 Å²	137.2	87%	0.865	80%	0.801	S	S	*	*			trans	-155.3	131.2	152	-147.4	171.5	-173	178.3	0	111.4
514	D	31.2	Very low	34.2	Very low	135 Å²	135	136.7 Å²	136.7	72%	0.722	80%	0.796	S	S	*	*			trans	-81.3	157.1	-175.9	-49	-90.9	0	0	0	112.9
515	T	37.2	Very low	33.9	Very low	151 Å²	151	142 Å²	142	93%	0.926	80%	0.803	S	S	*	*			trans	-156.5	147.2	142.3	-4.2	0	0	0	0	109.5
516	S	32.9	Very low	33.7	Very low	117 Å²	117	140.9 Å²	140.9	82%	0.818	80%	0.797	S	S	*	*			trans	-110.5	152.6	-164.7	49.8	0	0	0	0	113.2
517	A	36.9	Very low	33.4	Very low	90 Å²	90	142.7 Å²	142.7	74%	0.744	80%	0.797	S	S	*	*			trans	-173.6	151.7	139.8	0	0	0	0	0	113.6
518	S	33.8	Very low	33.2	Very low	115 Å²	115	146.1 Å²	146.1	80%	0.804	80%	0.801	S	S	*	*			trans	59.7	70.9	148.9	-58.5	0	0	0	0	120.6
519	S	31.5	Very low	33.2	Very low	123 Å²	123	149 Å²	149	86%	0.86	80%	0.798	S	S	*	*				-1.8	129.4	128.8	-49.8	0	0	0	0	119.3
520	S	31.9	Very low	33	Very low	104 Å²	104	151 Å²	151	73%	0.727	80%	0.803	S	S	*	*			trans	-151.7	122.5	133	67.2	0	0	0	0	110.5
521	S	32.4	Very low	32.8	Very low	116 Å²	116	148.9 Å²	148.9	81%	0.811	80%	0.801	S	S	*	*			trans	-99.7	121.6	-176.9	46	0	0	0	0	111.8
522	F	30.6	Very low	32.6	Very low	178 Å²	178	145.1 Å²	145.1	78%	0.781	80%	0.8	S	S	*	*			trans	-113	94.7	173.3	-86.1	-79.2	0	0	0	112.3	F524	F522-F524 PolarHBondContact O-N 3.14Å; F522-F524 VanDerWaalsContact O-N 3.14Å
523	L	29.6	Very low	32.8	Very low	163 Å²	163	142.5 Å²	142.5	85%	0.853	80%	0.801	S	S	*	*			trans	-70.5	94.9	168	-91.2	161.7	0	0	0	110.6	K525	L523-K525 VanDerWaalsContact C-N 3.34Å; L523-K525 PolarHBondContact O-N 3.45Å
524	F	31.7	Very low	32.6	Very low	173 Å²	173	141.6 Å²	141.6	76%	0.759	80%	0.797	S	S	*	*			trans	-78.7	83.1	172.1	-117.3	-80.8	0	0	0	112.1	F522 T526	F522-F524 PolarHBondContact O-N 3.14Å; F522-F524 VanDerWaalsContact O-N 3.14Å; F524-T526 VanDerWaalsContact C-N 3.32Å; F524-T526 HydrophobicContact CD1-CG2 4Å; F524-T526 HydrophobicContact CE1-CG2 4.16Å; F524-T526 PolarHBondContact O-N 2.85Å
525	K	28.3	Very low	32.6	Very low	197 Å²	197	141.3 Å²	141.3	86%	0.857	79%	0.794	S	S	*	*			trans	-88	62.7	178.3	-153.2	179.5	-168.3	178.1	0	110.9	L523	L523-K525 VanDerWaalsContact C-N 3.34Å; L523-K525 PolarHBondContact O-N 3.45Å
526	T	32	Very low	32.4	Very low	118 Å²	118	141.7 Å²	141.7	72%	0.724	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-71.8	129.4	180	14.7	0	0	0	0	112	F524	F524-T526 VanDerWaalsContact C-N 3.32Å; F524-T526 HydrophobicContact CD1-CG2 4Å; F524-T526 HydrophobicContact CE1-CG2 4.16Å; F524-T526 PolarHBondContact O-N 2.85Å
527	Q	31.3	Very low	32.4	Very low	168 Å²	168	144.8 Å²	144.8	79%	0.785	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-76.7	159.4	-169.9	-64.6	169.6	-26.3	0	0	113.4	K529	Q527-K529 PolarHBondContact O-N 2.69Å
528	K	30.8	Very low	32.3	Very low	197 Å²	197	145.9 Å²	145.9	86%	0.857	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-52	120.5	155.3	-78.8	177.5	173.1	174.4	0	109.5
529	K	35	Very low	32.1	Very low	182 Å²	182	148.2 Å²	148.2	79%	0.791	80%	0.796	S	S	*	*			trans	-111.6	105.3	154.1	-82.7	-170.7	172.6	-178	0	109.4	Q527 S531	Q527-K529 PolarHBondContact O-N 2.69Å; K529-S531 PolarHBondContact O-N 3.49Å; K529-S531 VanDerWaalsContact O-N 3.16Å
530	N	31	Very low	32.3	Very low	152 Å²	152	151.4 Å²	151.4	81%	0.813	80%	0.797	S	S	*	*			trans	-75.1	92.3	164.5	-75.7	-2.5	0	0	0	108.3	A532	N530-A532 PolarHBondContact O-N 2.58Å
531	S	34	Very low	32.4	Very low	100 Å²	100	154.9 Å²	154.9	70%	0.699	80%	0.799	S	S	*	*			trans	-93.1	84.2	170.8	-71.2	0	0	0	0	110.6	K529 S533	K529-S531 PolarHBondContact O-N 3.49Å; K529-S531 VanDerWaalsContact O-N 3.16Å; S531-S533 PolarHBondContact O-N 2.84Å
532	A	31.7	Very low	32.6	Very low	96 Å²	96	158.3 Å²	158.3	79%	0.793	80%	0.803	S	S	*	*			trans	-88	77.9	171.3	0	0	0	0	0	110.4	N530 K534	N530-A532 PolarHBondContact O-N 2.58Å; A532-K534 PolarHBondContact O-N 3.2Å; A532-K534 VanDerWaalsContact O-N 3.15Å
533	S	34.5	Very low	32.8	Very low	118 Å²	118	155.3 Å²	155.3	83%	0.825	80%	0.803	S	S	*	*			trans	-77.3	98.3	178.4	-58.9	0	0	0	0	111.4	S531	S531-S533 PolarHBondContact O-N 2.84Å
534	K	37.1	Very low	32.9	Very low	180 Å²	180	154.8 Å²	154.8	78%	0.783	80%	0.802	S	S	*	*			trans	-77.1	146.2	168.1	-99.2	-179.3	169.1	-177.3	0	111	A532	A532-K534 PolarHBondContact O-N 3.2Å; A532-K534 VanDerWaalsContact O-N 3.15Å
535	I	30.2	Very low	33.2	Very low	129 Å²	129	151 Å²	151	66%	0.662	79%	0.794	S	S	*	*			trans	43.8	111	139.5	-50.6	165.5	0	0	0	116.9
536	I	32.6	Very low	33.5	Very low	160 Å²	160	150.6 Å²	150.6	82%	0.821	79%	0.793	S	S	*	*				-126.9	117.5	127.6	-61.4	-176.6	0	0	0	107.7
537	Q	33.5	Very low	33.6	Very low	181 Å²	181	150 Å²	150	85%	0.846	79%	0.789	S	S	*	*			trans	-104.3	120.5	152.7	-77.4	-178.3	-36	0	0	106
538	S	34.4	Very low	33.6	Very low	113 Å²	113	147.4 Å²	147.4	79%	0.79	78%	0.784	S	S	*	*			trans	-113.5	88.3	174	54.1	0	0	0	0	108.8
539	N	30.4	Very low	33.9	Very low	164 Å²	164	147.9 Å²	147.9	88%	0.877	79%	0.786	S	S	*	*			trans	-101.7	104.1	174	-145.6	1.2	0	0	0	106.4
540	E	36.1	Very low	33.9	Very low	190 Å²	190	146.1 Å²	146.1	89%	0.888	79%	0.786	S	S	*	*			trans	-129.5	137.1	177.3	-146.7	159.1	-144.3	0	0	110.2
541	K	33.8	Very low	34.3	Very low	178 Å²	178	149 Å²	149	77%	0.774	79%	0.791	S	S	*	*			trans	-120.8	165.4	179.6	-75	-176	174.6	-177.4	0	108
542	Q	36.5	Very low	34.3	Very low	188 Å²	188	154.1 Å²	154.1	88%	0.879	80%	0.801	S	S	*	*			trans	82.5	138.6	-172.8	-50.3	166.8	59.5	0	0	111.2
543	S	35.1	Very low	34.7	Very low	114 Å²	114	155 Å²	155	80%	0.797	80%	0.801	S	S	*	*			cis	-155.5	156.8	-10.6	44.7	0	0	0	0	111.7
544	N	30.6	Very low	34.9	Very low	153 Å²	153	154.2 Å²	154.2	82%	0.818	80%	0.796	S	S	*	*			trans	-92.2	170.6	163.6	-126.1	-3.3	0	0	0	108.3
545	P	38.7	Very low	34.8	Very low	92 Å²	92	152.3 Å²	152.3	60%	0.597	80%	0.799	S	S	*	*			cis	-132.4	179.7	-9.1	40.9	-24.9	0	0	0	113.5
546	F	34.6	Very low	35.2	Very low	190 Å²	190	151.6 Å²	151.6	83%	0.833	81%	0.806	S	S	*	*				-174.2	129.3	119.7	-119.4	-88.9	0	0	0	116.9
547	T	34.1	Very low	35.7	Very low	105 Å²	105	150.3 Å²	150.3	64%	0.644	81%	0.806	S	S	*	*			trans	-35.9	127.1	164.7	-42.2	0	0	0	0	119.8
548	V	31.6	Very low	36.4	Very low	113 Å²	113	147.3 Å²	147.3	69%	0.685	80%	0.802	S	S	*	*			trans	54.5	129.7	138.3	179.7	0	0	0	0	121.8
549	K	36.3	Very low	37.1	Very low	207 Å²	207	147.4 Å²	147.4	90%	0.9	80%	0.8	S	S	*	*				-166.2	132.5	129.1	-109.1	160.4	-172.9	171.1	0	114
550	D	35	Very low	37.7	Very low	146 Å²	146	147.4 Å²	147.4	78%	0.781	80%	0.799	S	S	*	*			trans	-75	156	173.9	-55.4	-95.5	0	0	0	113.7
551	K	39.6	Very low	38.4	Very low	212 Å²	212	143.7 Å²	143.7	92%	0.922	79%	0.791	S	S	*	*			trans	-156.7	143.2	146.1	-115.7	172.1	-176.1	-176.6	0	112
552	K	34.8	Very low	39.4	Very low	207 Å²	207	141 Å²	141	90%	0.9	79%	0.792	S	S	*	*			trans	-100.3	132.8	-177.4	-66.1	175.2	176.4	176.4	0	112.1
553	S	39.4	Very low	39.4	Very low	115 Å²	115	138.6 Å²	138.6	80%	0.804	79%	0.79	S	S	*	*			trans	176.2	144.2	155.3	49.4	0	0	0	0	109.6
554	S	38.3	Very low	39.9	Very low	101 Å²	101	138.7 Å²	138.7	71%	0.706	79%	0.791	S	S	*	*			cis	-177	129.4	-22	42.8	0	0	0	0	108.5
555	T	35.8	Very low	40.2	Very low	140 Å²	140	138.2 Å²	138.2	86%	0.859	79%	0.794	S	S	*	*			trans	54.1	104.9	150	-36.6	0	0	0	0	120.9
556	S	38.9	Very low	40.7	Very low	114 Å²	114	139.4 Å²	139.4	80%	0.797	80%	0.804	S	S	*	*			trans	-170.6	130.1	136.7	60.9	0	0	0	0	113.5
557	T	42.2	Very low	41.1	Very low	134 Å²	134	137.9 Å²	137.9	82%	0.822	81%	0.805	S	S	*	*			trans	-153.4	170.5	172.6	41.5	0	0	0	0	109
558	P	49.1	Very low	41.8	Very low	117 Å²	117	138 Å²	138	76%	0.76	81%	0.808	S	S	*	*			cis	-112.9	-134.4	-36.7	29.3	-6.9	0	0	0	108.6
559	P	47.3	Very low	42.7	Very low	115 Å²	115	138.6 Å²	138.6	75%	0.747	81%	0.813	S	S	*	*			cis	-141.9	-176.2	48.7	40.3	-19	0	0	0	116.5
560	L	44.7	Very low	42.8	Very low	164 Å²	164	136.1 Å²	136.1	86%	0.859	81%	0.809	S	S	*	*			trans	-109.5	-160.3	163.9	-73.7	163.9	0	0	0	109.8
561	P	50.9	Low	42.9	Very low	112 Å²	112	135.3 Å²	135.3	73%	0.727	81%	0.81	S	S	*	*				-98.2	-154.6	-112.5	39.1	-20.5	0	0	0	112.5
562	P	53.1	Low	42.8	Very low	121 Å²	121	134.7 Å²	134.7	79%	0.786	81%	0.807	S	S	*	*				-139.5	156.8	120	38.2	-28.2	0	0	0	115.2
563	T	36.9	Very low	43	Very low	139 Å²	139	130 Å²	130	85%	0.853	80%	0.8	S	S	*	*			trans	-95.2	151.3	156.5	42.1	0	0	0	0	109.7
564	S	45.2	Very low	43	Very low	116 Å²	116	132.5 Å²	132.5	81%	0.811	80%	0.803	S	S	*	*			trans	-142.1	115.9	174.7	59.9	0	0	0	0	111.9
565	T	36.7	Very low	43	Very low	143 Å²	143	130.6 Å²	130.6	88%	0.877	80%	0.799	S	S	*	*			trans	-84.8	153.1	169.9	35	0	0	0	0	111.4
566	S	50.6	Low	43.1	Very low	117 Å²	117	131.2 Å²	131.2	82%	0.818	80%	0.797	S	S	*	*			trans	-146	150.3	161	53.8	0	0	0	0	109.7
567	N	41.5	Very low	43.1	Very low	157 Å²	157	131.7 Å²	131.7	84%	0.84	80%	0.796	S	S	*	*			trans	-106.9	158	-166.2	-75.6	-37.1	0	0	0	113.1
568	P	50	Low	42.9	Very low	109 Å²	109	129.6 Å²	129.6	71%	0.708	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-97.1	166.9	-177.2	38.9	-36.6	0	0	0	114.2
569	P	51.2	Low	42.4	Very low	124 Å²	124	130.2 Å²	130.2	81%	0.805	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-98.2	162.9	160.2	36.7	-30.6	0	0	0	113.1
570	L	36.9	Very low	41.9	Very low	156 Å²	156	130.6 Å²	130.6	82%	0.817	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-97.7	159	178.8	-58.2	78.6	0	0	0	111.6
571	T	38.6	Very low	41.6	Very low	129 Å²	129	130.3 Å²	130.3	79%	0.791	77%	0.767	S	S	*	*				177.1	126.2	106.6	37.9	0	0	0	0	115.8
572	K	37	Very low	41	Very low	199 Å²	199	131.1 Å²	131.1	87%	0.865	76%	0.761	S	S	*	*			trans	32.9	123	136.8	-55.6	178.4	-179.3	178.7	0	122.4
573	S	38	Very low	40.2	Very low	108 Å²	108	132.9 Å²	132.9	76%	0.755	76%	0.756	S	S	*	*				179.4	100.8	128.9	-163.2	0	0	0	0	110
574	I	40.8	Very low	40.1	Very low	167 Å²	167	133.9 Å²	133.9	86%	0.856	76%	0.755	S	S	*	*				83.9	130.1	89.8	-67.8	162.5	0	0	0	115.4
575	G	38.5	Very low	39.7	Very low	61 Å²	61	134.1 Å²	134.1	63%	0.629	76%	0.757	S	S	*	*			trans	113.6	97.6	173.6	0	0	0	0	0	113.6
576	N	37.1	Very low	39.6	Very low	153 Å²	153	132 Å²	132	82%	0.818	74%	0.744	S	S	*	*				63.9	134	71.3	-66.1	6.6	0	0	0	113.2
577	T	37.8	Very low	39.1	Very low	125 Å²	125	133.6 Å²	133.6	77%	0.767	75%	0.749	S	S	*	*			cis	-171.1	167.8	0.4	16.6	0	0	0	0	107.4
578	S	38.5	Very low	38.8	Very low	89 Å²	89	134.6 Å²	134.6	62%	0.622	75%	0.746	S	S	*	*			cis	-175.6	164.6	-6.1	46.5	0	0	0	0	110.6
579	N	38.2	Very low	38.1	Very low	130 Å²	130	135.8 Å²	135.8	70%	0.695	75%	0.751	S	S	*	*			trans	70	152.5	151.7	-69.7	16.1	0	0	0	119.7
580	E	38.3	Very low	37.4	Very low	123 Å²	123	138.8 Å²	138.8	58%	0.575	75%	0.752	S	S	*	*			cis	-160.6	151.7	-3.7	-120.2	172.3	123.9	0	0	113.2
581	K	38.1	Very low	37.4	Very low	159 Å²	159	137 Å²	137	69%	0.691	75%	0.747	S	S	*	*			trans	50.4	154.3	140.9	-72.5	172.8	-176	159.6	0	121.8
582	E	37.3	Very low	37.2	Very low	128 Å²	128	136 Å²	136	60%	0.598	75%	0.746	S	S	*	*			cis	-161.3	170.2	-9.7	-127.9	-179.6	170.8	0	0	112.9
583	K	36.1	Very low	37	Very low	159 Å²	159	134.2 Å²	134.2	69%	0.691	74%	0.744	S	S	*	*			trans	42.2	121.7	152.9	-68.9	155.1	-174.1	151.9	0	119.5
584	L	35.1	Very low	36.8	Very low	159 Å²	159	136.9 Å²	136.9	83%	0.832	75%	0.75	S	S	*	*			cis	74.4	110.4	36.3	-160.4	87.3	0	0	0	115.9
585	S	36.8	Very low	36.3	Very low	121 Å²	121	135 Å²	135	85%	0.846	75%	0.747	S	S	*	*			trans	-150.3	158	150.8	67.2	0	0	0	0	110.1
586	T	36.5	Very low	36.4	Very low	99 Å²	99	138.9 Å²	138.9	61%	0.607	76%	0.758	S	S	*	*			trans	-142.2	143.3	-162.4	-58.4	0	0	0	0	112.6	K588	T586-K588 HydrophobicContact CG2-CG 4.11Å
587	V	38.9	Very low	36.1	Very low	151 Å²	151	139.1 Å²	139.1	92%	0.915	76%	0.76	S	S	*	*			trans	-133.8	144.8	159.4	-176.6	0	0	0	0	109.2
588	K	34.5	Very low	36.1	Very low	178 Å²	178	139.9 Å²	139.9	77%	0.774	76%	0.764	S	S	*	*			trans	-130.2	144.4	-172.9	-62.6	171.2	177.5	171.6	0	112.2	T586	T586-K588 HydrophobicContact CG2-CG 4.11Å
589	T	35.4	Very low	35.8	Very low	134 Å²	134	141.5 Å²	141.5	82%	0.822	77%	0.771	S	S	*	*			trans	-163.5	129.6	141.1	16.5	0	0	0	0	107.4
590	K	37.3	Very low	35.8	Very low	187 Å²	187	142.3 Å²	142.3	81%	0.813	78%	0.775	S	S	*	*				61.6	130.7	55.6	-84.3	-164.6	172	-170.6	0	112.5
591	T	36.2	Very low	35.7	Very low	119 Å²	119	142.8 Å²	142.8	73%	0.73	78%	0.782	S	S	*	*			cis	-161.2	174.3	-3.7	-5.7	0	0	0	0	107.2
592	S	35.5	Very low	35.5	Very low	108 Å²	108	142 Å²	142	76%	0.755	78%	0.784	S	S	*	*			cis	-153.3	-179.4	12.7	-94.2	0	0	0	0	110.7
593	L	31.3	Very low	35.3	Very low	160 Å²	160	141.7 Å²	141.7	84%	0.838	79%	0.791	S	S	*	*			trans	-108.6	164.1	162.9	-80.2	158.8	0	0	0	110.8
594	N	34.1	Very low	35.3	Very low	164 Å²	164	138.9 Å²	138.9	88%	0.877	79%	0.791	S	S	*	*			trans	-163.4	147.9	143.1	-112.2	-0.4	0	0	0	112.2
595	T	31.5	Very low	35.2	Very low	129 Å²	129	136.6 Å²	136.6	79%	0.791	79%	0.789	S	S	*	*			trans	-149	132.7	-178.3	47	0	0	0	0	110.2
596	T	39.1	Very low	35.3	Very low	141 Å²	141	137 Å²	137	87%	0.865	79%	0.791	S	S	*	*			trans	-149.3	121.9	169.1	47.9	0	0	0	0	111.1
597	D	31.9	Very low	35.4	Very low	159 Å²	159	139 Å²	139	85%	0.85	80%	0.798	S	S	*	*			trans	-77	156.4	162.9	-65.1	-70	0	0	0	111.4
598	T	37.8	Very low	35.4	Very low	140 Å²	140	137 Å²	137	86%	0.859	79%	0.791	S	S	*	*			trans	-163.5	140.5	144.9	-72.3	0	0	0	0	108.9
599	T	32.9	Very low	35.6	Very low	124 Å²	124	137 Å²	137	76%	0.761	79%	0.791	S	S	*	*			trans	-110	148.8	175.7	48.5	0	0	0	0	110.7
600	N	38.2	Very low	35.5	Very low	146 Å²	146	136.1 Å²	136.1	78%	0.781	79%	0.785	S	S	*	*			trans	-174.4	115.9	148.5	-100.2	-37.5	0	0	0	115.6
601	N	34.8	Very low	35.5	Very low	134 Å²	134	133.4 Å²	133.4	72%	0.717	79%	0.785	S	S	*	*			trans	35.3	124.3	133.9	-66.2	-15.7	0	0	0	125.6
602	L	34	Very low	35.2	Very low	142 Å²	142	134.1 Å²	134.1	74%	0.743	79%	0.789	S	S	*	*				63.8	128.1	128.3	-83.1	79.1	0	0	0	124.2
603	V	33.9	Very low	35.3	Very low	122 Å²	122	135.1 Å²	135.1	74%	0.739	79%	0.793	S	S	*	*			trans	65.2	124.1	132.5	178.1	0	0	0	0	117.3
604	S	35.6	Very low	35.2	Very low	100 Å²	100	133.7 Å²	133.7	70%	0.699	79%	0.791	S	S	*	*				-162.2	144.1	53.6	-32.8	0	0	0	0	115.6
605	S	34	Very low	35.2	Very low	111 Å²	111	132.3 Å²	132.3	78%	0.776	79%	0.789	S	S	*	*				43.7	117.2	121.2	-47.3	0	0	0	0	124.2
606	S	38.4	Very low	35.1	Very low	129 Å²	129	133 Å²	133	90%	0.902	79%	0.788	S	S	*	*				166.8	168.7	126.2	48.4	0	0	0	0	114.2
607	N	37.3	Very low	34.7	Very low	140 Å²	140	130.5 Å²	130.5	75%	0.749	78%	0.781	S	S	*	*				-167.5	108.2	-52.1	-170	9.3	0	0	0	113.2
608	S	39.8	Very low	34.8	Very low	109 Å²	109	131.7 Å²	131.7	76%	0.762	78%	0.781	S	S	*	*			trans	-171.3	133	159.5	47.8	0	0	0	0	109
609	K	37.7	Very low	34.5	Very low	178 Å²	178	133.5 Å²	133.5	77%	0.774	78%	0.779	S	S	*	*			cis	69	127.9	46.9	-67	-169.4	175.8	-178.3	0	112.7
610	T	34.3	Very low	34.7	Very low	116 Å²	116	134.3 Å²	134.3	71%	0.712	78%	0.779	S	S	*	*			cis	-157.1	172.4	17.4	-16.8	0	0	0	0	114.4
611	T	37	Very low	34.2	Very low	131 Å²	131	136.5 Å²	136.5	80%	0.804	78%	0.782	S	S	*	*			trans	66.3	115.9	153	46.6	0	0	0	0	122.2
612	T	29.7	Very low	34.2	Very low	134 Å²	134	138.9 Å²	138.9	82%	0.822	79%	0.788	S	S	*	*			trans	-97.1	159.5	145.9	51.7	0	0	0	0	110
613	P	37.8	Very low	34.3	Very low	128 Å²	128	141.6 Å²	141.6	83%	0.831	79%	0.794	S	S	*	*				-146.3	172.8	101	39	-23.6	0	0	0	116.1
614	T	28.6	Very low	34.1	Very low	130 Å²	130	141.8 Å²	141.8	80%	0.798	80%	0.795	S	S	*	*			trans	-82.7	138.9	-176.3	-46.6	0	0	0	0	114.1
615	V	35.4	Very low	34	Very low	136 Å²	136	142.2 Å²	142.2	82%	0.824	80%	0.796	S	S	*	*			trans	-146.4	138.6	142.9	174	0	0	0	0	111.9
616	N	29.1	Very low	33.8	Very low	144 Å²	144	143.1 Å²	143.1	77%	0.77	80%	0.797	S	S	*	*			trans	-28.3	151.9	174.2	-62.2	-26.3	0	0	0	123.5
617	A	30.5	Very low	33.6	Very low	88 Å²	88	146.2 Å²	146.2	73%	0.727	79%	0.794	S	S	*	*			trans	68.6	112.3	133.1	0	0	0	0	0	121.8
618	H	34.6	Very low	33.4	Very low	184 Å²	184	144.3 Å²	144.3	85%	0.852	79%	0.791	S	S	*	*				-142.6	118.1	125.6	-108.9	-80	0	0	0	110.5
619	H	31.9	Very low	33.1	Very low	177 Å²	177	148.5 Å²	148.5	82%	0.819	80%	0.796	S	S	*	*			trans	-70	130.2	167.4	-109.9	-74.1	0	0	0	109
620	N	35.7	Very low	32.8	Very low	142 Å²	142	146 Å²	146	76%	0.759	80%	0.796	S	S	*	*			trans	-142.8	117.6	164.7	-116.8	-36.4	0	0	0	110.8	H622	N620-H622 PolarHBondContact O-N 3.22Å
621	F	28.2	Very low	32.9	Very low	191 Å²	191	144.2 Å²	144.2	84%	0.838	79%	0.792	S	S	*	*			trans	-71.5	120.1	174.5	-86.8	-105.8	0	0	0	109.3
622	H	35.4	Very low	33.2	Very low	184 Å²	184	143 Å²	143	85%	0.852	79%	0.785	S	S	*	*			trans	-126.9	136.2	166.8	-103.7	39.6	0	0	0	112.8	N620	N620-H622 PolarHBondContact O-N 3.22Å
623	K	34.5	Very low	33.7	Very low	200 Å²	200	141.8 Å²	141.8	87%	0.87	78%	0.782	S	S	*	*			trans	-53.4	141.6	-163	-72.5	165.4	171.5	169.6	0	114.4	P625	K623-P625 WeakPolarHBondContact O-CD 3.23Å
624	V	30.1	Very low	34.3	Very low	125 Å²	125	139.2 Å²	139.2	76%	0.758	76%	0.761	S	S	*	*			trans	-53.7	124.8	160.4	177.8	0	0	0	0	109.7	T626	V624-T626 PolarHBondContact O-N 3.35Å
625	P	33	Very low	35.6	Very low	109 Å²	109	134.9 Å²	134.9	71%	0.708	74%	0.736	S	S	*	*			trans	-78.7	105.2	172.4	30.3	-31.8	0	0	0	109.8	K623 K627	K623-P625 WeakPolarHBondContact O-CD 3.23Å; P625-K627 VanDerWaalsContact C-N 3.35Å; P625-K627 PolarHBondContact O-N 3.08Å
626	T	31.3	Very low	36.4	Very low	130 Å²	130	133.6 Å²	133.6	80%	0.798	72%	0.719	S	S	*	*			trans	-69	90.1	171.1	49.2	0	0	0	0	110.1	V624 S628	V624-T626 PolarHBondContact O-N 3.35Å; T626-S628 PolarHBondContact O-N 2.96Å
627	K	34.6	Very low	37.5	Very low	194 Å²	194	130.1 Å²	130.1	84%	0.843	71%	0.706	S	S	*	*			trans	-57.1	106.7	173	-75.9	-169.9	177.1	-176.3	0	109.6	P625	P625-K627 VanDerWaalsContact C-N 3.35Å; P625-K627 PolarHBondContact O-N 3.08Å
628	S	31.5	Very low	38.8	Very low	100 Å²	100	129 Å²	129	70%	0.699	69%	0.688	S	S	*	*			trans	-69.9	131.2	172.3	44	0	0	0	0	109.9	T626 T630	T626-S628 PolarHBondContact O-N 2.96Å; S628-T630 PolarHBondContact O-N 3.48Å
629	K	33.3	Very low	39.9	Very low	198 Å²	198	121.8 Å²	121.8	86%	0.861	66%	0.655	S	S	*	*			trans	-74.1	90.4	172.9	-70.9	-166.9	172.3	-163.4	0	109.6	A631	K629-A631 VanDerWaalsContact C-N 3.32Å; K629-A631 PolarHBondContact O-N 2.86Å
630	T	31.7	Very low	41	Very low	126 Å²	126	115.4 Å²	115.4	77%	0.773	63%	0.633	S	S	*	*			trans	-67	89.5	166	38.8	0	0	0	0	109.9	S628	S628-T630 PolarHBondContact O-N 3.48Å
631	A	36.7	Very low	42.3	Very low	77 Å²	77	114.1 Å²	114.1	64%	0.636	62%	0.624	S	S	*	*			trans	-61.9	134.4	170	0	0	0	0	0	110.3	K629 S633	K629-A631 VanDerWaalsContact C-N 3.32Å; K629-A631 PolarHBondContact O-N 2.86Å; A631-S633 PolarHBondContact O-N 3Å
632	T	42.8	Very low	43.8	Very low	107 Å²	107	110.7 Å²	110.7	66%	0.656	61%	0.608	S	S	*	*			trans	-63.1	103.1	-176.4	-32.5	0	0	0	0	110.4	E53 I634	E53-T632 VanDerWaalsContact OE1-CG2 3.3Å; E53-T632 WeakPolarHBondContact OE1-CG2 3.34Å; T632-I634 PolarHBondContact O-N 3.04Å
633	S	40.8	Very low	45.1	Very low	108 Å²	108	105.7 Å²	105.7	76%	0.755	59%	0.587	S	S	*	*			trans	-85.4	106.1	-169.3	62	0	0	0	0	111.8	A631 S635	A631-S633 PolarHBondContact O-N 3Å; S633-S635 PolarHBondContact O-N 3.49Å
634	I	51.7	Low	46.4	Very low	73 Å²	73	100.6 Å²	100.6	37%	0.374	57%	0.569	S	S	.	*			trans	-54.6	128.1	155.4	-57.5	177.3	0	0	0	107.1	T632 D638 I639	T632-I634 PolarHBondContact O-N 3.04Å; I634-D638 HydrophobicContact CG2-CB 4.1Å; I634-I639 HydrophobicContact CB-CD1 4.43Å; I634-I639 HydrophobicContact CG2-CD1 4.22Å; I634-I639 HydrophobicContact CG2-CG1 3.82Å
635	S	55.7	Low	48	Very low	39 Å²	39	100.7 Å²	100.7	27%	0.273	56%	0.56	S	S	.	*			trans	-64.7	142.8	-173.5	84.6	0	0	0	0	111.1	S633 S637 D638 I639	S633-S635 PolarHBondContact O-N 3.49Å; S635-S637 WeakPolarHBondContact CB-OG 3.26Å; S635-S637 PolarHBondContact O-N 3.45Å; S635-S637 VanDerWaalsContact O-N 3.14Å; S635-S637 PolarHBondContact OG-OG 3.27Å; S635-D638 WeakPolarHBondContact CB-OD2 2.93Å; S635-D638 PolarHBondContact O-N 3.4Å; S635-D638 PolarHBondContact OG-N 3.16Å; S635-D638 PolarHBondContact OG-OD2 3.19Å; S635-I639 PolarHBondContact O-N 3.14Å
636	K	51.3	Low	49.1	Very low	110 Å²	110	97.6 Å²	97.6	48%	0.478	54%	0.535	S	S	.	.	H	α-helix	trans	-55.3	-32.2	174.4	-69.4	-174.3	177.5	-177	0	111.2	A640	K636-A640 VanDerWaalsContact O-CB 3.27Å; K636-A640 WeakPolarHBondContact O-CB 3.49Å; K636-A640 PolarHBondContact O-N 3.29Å
637	S	52.8	Low	50.3	Low	70 Å²	70	93.6 Å²	93.6	49%	0.49	51%	0.513	S	S	.	.	H	α-helix	trans	-61.7	-45.5	172.2	22.3	0	0	0	0	113.6	S635 I639 A640 M641	S635-S637 WeakPolarHBondContact CB-OG 3.26Å; S635-S637 PolarHBondContact O-N 3.45Å; S635-S637 VanDerWaalsContact O-N 3.14Å; S635-S637 PolarHBondContact OG-OG 3.27Å; S637-I639 PolarHBondContact O-N 3.31Å; S637-A640 PolarHBondContact O-N 3.16Å; S637-M641 WeakPolarHBondContact O-CB 3.45Å; S637-M641 WeakPolarHBondContact O-CG 3.41Å; S637-M641 PolarHBondContact O-N 3.02Å
638	D	58	Low	51.4	Low	65 Å²	65	88.6 Å²	88.6	35%	0.348	50%	0.495	S	S	.	.	H	α-helix	trans	-66.7	-38.5	179.2	-65.3	-53.8	0	0	0	112.1	I634 S635 K642	I634-D638 HydrophobicContact CG2-CB 4.1Å; S635-D638 WeakPolarHBondContact CB-OD2 2.93Å; S635-D638 PolarHBondContact O-N 3.4Å; S635-D638 PolarHBondContact OG-N 3.16Å; S635-D638 PolarHBondContact OG-OD2 3.19Å; D638-K642 WeakPolarHBondContact O-CB 3.3Å; D638-K642 WeakPolarHBondContact O-CD 2.97Å; D638-K642 VanDerWaalsContact O-CG 3.28Å; D638-K642 WeakPolarHBondContact O-CG 3.36Å; D638-K642 PolarHBondContact O-N 3.26Å; D638-K642 VanDerWaalsContact O-N 3.08Å
639	I	56	Low	52.4	Low	32 Å²	32	85.5 Å²	85.5	16%	0.164	47%	0.471	C	S	.	.	H	α-helix	trans	-64.7	-48	174.7	-60.6	174.9	0	0	0	109.4	L338 I634 S635 S637 K642 I643	L338-I639 HydrophobicContact CD2-CD1 4.07Å; I634-I639 HydrophobicContact CB-CD1 4.43Å; I634-I639 HydrophobicContact CG2-CD1 4.22Å; I634-I639 HydrophobicContact CG2-CG1 3.82Å; S635-I639 PolarHBondContact O-N 3.14Å; S637-I639 PolarHBondContact O-N 3.31Å; I639-K642 PolarHBondContact O-N 2.83Å; I639-I643 HydrophobicContact CG2-CD1 3.78Å; I639-I643 VanDerWaalsContact O-CG1 3.3Å; I639-I643 WeakPolarHBondContact O-CG1 3.3Å; I639-I643 PolarHBondContact O-N 3.18Å
640	A	56.6	Low	53.2	Low	43 Å²	43	79.1 Å²	79.1	36%	0.355	45%	0.451	S	S	.	.	H	α-helix	trans	-63.8	-41.2	178.6	0	0	0	0	0	113.2	K636 S637 I643 N644	K636-A640 VanDerWaalsContact O-CB 3.27Å; K636-A640 WeakPolarHBondContact O-CB 3.49Å; K636-A640 PolarHBondContact O-N 3.29Å; S637-A640 PolarHBondContact O-N 3.16Å; A640-I643 PolarHBondContact O-N 3.27Å; A640-N644 WeakPolarHBondContact O-CB 3.12Å; A640-N644 PolarHBondContact O-N 3.45Å
641	M	62.7	Low	54.2	Low	116 Å²	116	80.8 Å²	80.8	57%	0.571	45%	0.448	S	S	*	.	H	α-helix	trans	-62.7	-44.2	175.9	-76.6	-170.5	-73.4	0	0	111.5	S637 N644 F645	S637-M641 WeakPolarHBondContact O-CB 3.45Å; S637-M641 WeakPolarHBondContact O-CG 3.41Å; S637-M641 PolarHBondContact O-N 3.02Å; M641-N644 PolarHBondContact O-N 2.95Å; M641-F645 WeakPolarHBondContact O-CB 3.05Å; M641-F645 PolarHBondContact O-N 3.09Å
642	K	58.9	Low	55	Low	118 Å²	118	82.7 Å²	82.7	51%	0.513	44%	0.443	S	S	.	.	H	α-helix	trans	-63.5	-44.5	175.6	-72.4	167.6	-175.9	170.2	0	111.6	D638 I639 F645 F646	D638-K642 WeakPolarHBondContact O-CB 3.3Å; D638-K642 WeakPolarHBondContact O-CD 2.97Å; D638-K642 VanDerWaalsContact O-CG 3.28Å; D638-K642 WeakPolarHBondContact O-CG 3.36Å; D638-K642 PolarHBondContact O-N 3.26Å; D638-K642 VanDerWaalsContact O-N 3.08Å; I639-K642 PolarHBondContact O-N 2.83Å; K642-F645 PolarHBondContact O-N 2.69Å; K642-F646 WeakPolarHBondContact O-CD2 3.49Å; K642-F646 PolarHBondContact O-N 2.67Å; K642-F646 VanDerWaalsContact O-N 3.11Å
643	I	63.5	Low	54.8	Low	79 Å²	79	80.9 Å²	80.9	41%	0.405	45%	0.446	S	S	.	.	H	α-helix	trans	-60.1	-47	176.2	-70.9	169.5	0	0	0	111.2	I639 A640 F646 S647	I639-I643 HydrophobicContact CG2-CD1 3.78Å; I639-I643 VanDerWaalsContact O-CG1 3.3Å; I639-I643 WeakPolarHBondContact O-CG1 3.3Å; I639-I643 PolarHBondContact O-N 3.18Å; A640-I643 PolarHBondContact O-N 3.27Å; I643-F646 PolarHBondContact O-N 2.9Å; I643-S647 VanDerWaalsContact O-CB 3.3Å; I643-S647 WeakPolarHBondContact O-CB 3.45Å; I643-S647 PolarHBondContact O-N 2.6Å
644	N	61.8	Low	55.4	Low	93 Å²	93	81.3 Å²	81.3	50%	0.497	43%	0.434	S	S	.	.	H	α-helix	trans	-64.9	-40.4	179.3	-77.2	-20	0	0	0	112.5	A640 M641 S647 N648	A640-N644 WeakPolarHBondContact O-CB 3.12Å; A640-N644 PolarHBondContact O-N 3.45Å; M641-N644 PolarHBondContact O-N 2.95Å; N644-S647 PolarHBondContact O-N 3.43Å; N644-N648 PolarHBondContact O-N 3.13Å
645	F	63.3	Low	55.1	Low	127 Å²	127	80.9 Å²	80.9	56%	0.557	44%	0.435	S	S	*	.	H	α-helix	trans	-58.7	-48.1	175.8	-179.3	-97.8	0	0	0	111.9	M641 K642 N648 L649	M641-F645 WeakPolarHBondContact O-CB 3.05Å; M641-F645 PolarHBondContact O-N 3.09Å; K642-F645 PolarHBondContact O-N 2.69Å; F645-N648 PolarHBondContact O-N 3.42Å; F645-L649 HydrophobicContact CD1-CD1 3.97Å; F645-L649 HydrophobicContact CE1-CD1 3.57Å; F645-L649 HydrophobicContact CZ-CD1 4.1Å; F645-L649 PolarHBondContact O-N 2.57Å
646	F	55.6	Low	54.4	Low	45 Å²	45	92.2 Å²	92.2	20%	0.197	48%	0.479	C	S	.	.	H	α-helix	trans	-74.7	-31.3	178.4	-67	-61.2	0	0	0	113.5	W321 K642 I643 N648 L649 S650	W321-F646 HydrophobicContact CE3-CB 4.16Å; W321-F646 HydrophobicContact CE3-CD2 4.24Å; W321-F646 HydrophobicContact CE3-CG 4.14Å; W321-F646 HydrophobicContact CZ3-CB 3.78Å; W321-F646 HydrophobicContact CZ3-CD2 4.22Å; W321-F646 HydrophobicContact CZ3-CG 4.16Å; K642-F646 WeakPolarHBondContact O-CD2 3.49Å; K642-F646 PolarHBondContact O-N 2.67Å; K642-F646 VanDerWaalsContact O-N 3.11Å; I643-F646 PolarHBondContact O-N 2.9Å; F646-N648 VanDerWaalsContact C-N 3.29Å; F646-N648 PolarHBondContact O-N 3.03Å; F646-L649 HydrophobicContact CD1-CD1 3.76Å; F646-L649 HydrophobicContact CE1-CD1 4.11Å; F646-L649 PolarHBondContact O-N 2.68Å; F646-S650 PolarHBondContact O-N 2.92Å
647	S	56.7	Low	54.6	Low	46 Å²	46	91.3 Å²	91.3	32%	0.322	48%	0.479	S	S	.	.	H	α-helix	trans	-58.7	-41.5	170.9	-171.1	0	0	0	0	111.5	I643 N644 S650 K651	I643-S647 VanDerWaalsContact O-CB 3.3Å; I643-S647 WeakPolarHBondContact O-CB 3.45Å; I643-S647 PolarHBondContact O-N 2.6Å; N644-S647 PolarHBondContact O-N 3.43Å; S647-S650 PolarHBondContact O-N 3.22Å; S647-K651 WeakPolarHBondContact O-CG 3.43Å; S647-K651 PolarHBondContact O-N 3.35Å
648	N	58.4	Low	54.7	Low	89 Å²	89	92.4 Å²	92.4	48%	0.476	48%	0.478	S	S	.	.	H	α-helix	trans	-69.4	-33.7	176.7	-71.1	-16.7	0	0	0	112.8	N644 F645 F646 K651 Q652	N644-N648 PolarHBondContact O-N 3.13Å; F645-N648 PolarHBondContact O-N 3.42Å; F646-N648 VanDerWaalsContact C-N 3.29Å; F646-N648 PolarHBondContact O-N 3.03Å; N648-K651 PolarHBondContact O-N 3.34Å; N648-Q652 WeakPolarHBondContact O-CG 3.49Å; N648-Q652 PolarHBondContact O-N 3.15Å; N648-Q652 VanDerWaalsContact O-N 3.08Å
649	L	53.1	Low	54.5	Low	34 Å²	34	93.9 Å²	93.9	18%	0.178	49%	0.486	C	S	.	.	H	α-helix	trans	-66.3	-39.2	173	-79.8	163	0	0	0	112.7	F645 F646 Q652 K654 V655	F645-L649 HydrophobicContact CD1-CD1 3.97Å; F645-L649 HydrophobicContact CE1-CD1 3.57Å; F645-L649 HydrophobicContact CZ-CD1 4.1Å; F645-L649 PolarHBondContact O-N 2.57Å; F646-L649 HydrophobicContact CD1-CD1 3.76Å; F646-L649 HydrophobicContact CE1-CD1 4.11Å; F646-L649 PolarHBondContact O-N 2.68Å; L649-Q652 PolarHBondContact O-N 3.35Å; L649-K654 PolarHBondContact O-N 2.71Å; L649-V655 HydrophobicContact CB-CG2 4.32Å
650	S	49.1	Very low	54.4	Low	64 Å²	64	97.6 Å²	97.6	45%	0.448	51%	0.505	S	S	.	.	H	α-helix	trans	-64.6	-47.5	172.5	175.8	0	0	0	0	111.5	F646 S647 Q652 G653	F646-S650 PolarHBondContact O-N 2.92Å; S647-S650 PolarHBondContact O-N 3.22Å; S650-Q652 PolarHBondContact O-N 2.98Å; S650-G653 PolarHBondContact O-N 2.79Å
651	K	53.1	Low	54.3	Low	162 Å²	162	101 Å²	101	70%	0.704	51%	0.514	S	S	*	.	H	α-helix	trans	-61.4	-24.6	177	-72.4	174.2	-176.7	178	0	114.3	S647 N648 G653	S647-K651 WeakPolarHBondContact O-CG 3.43Å; S647-K651 PolarHBondContact O-N 3.35Å; N648-K651 PolarHBondContact O-N 3.34Å; K651-G653 PolarHBondContact O-N 2.79Å
652	Q	54.2	Low	53.7	Low	116 Å²	116	100 Å²	100	54%	0.542	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	5.2	172.3	-73.5	-176.9	13.1	0	0	113.8	N648 L649 S650 K654	N648-Q652 WeakPolarHBondContact O-CG 3.49Å; N648-Q652 PolarHBondContact O-N 3.15Å; N648-Q652 VanDerWaalsContact O-N 3.08Å; L649-Q652 PolarHBondContact O-N 3.35Å; S650-Q652 PolarHBondContact O-N 2.98Å; Q652-K654 HydrophobicContact CB-CD 4.02Å; Q652-K654 HydrophobicContact CB-CG 4.2Å; Q652-K654 PolarHBondContact O-N 2.81Å
653	G	37.7	Very low	53.3	Low	69 Å²	69	98.7 Å²	98.7	71%	0.711	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	13.2	-178.2	0	0	0	0	0	114.3	S650 K651	S650-G653 PolarHBondContact O-N 2.79Å; K651-G653 PolarHBondContact O-N 2.79Å
654	K	52.8	Low	52.5	Low	118 Å²	118	100.2 Å²	100.2	51%	0.513	52%	0.518	S	S	.	.	S	Bend	trans	-90.7	-5.9	-175.4	-68.3	172.1	-176.8	170.6	0	113.5	L649 Q652	L649-K654 PolarHBondContact O-N 2.71Å; Q652-K654 HydrophobicContact CB-CD 4.02Å; Q652-K654 HydrophobicContact CB-CG 4.2Å; Q652-K654 PolarHBondContact O-N 2.81Å
655	V	45.6	Very low	51.8	Low	63 Å²	63	100.8 Å²	100.8	38%	0.382	52%	0.52	S	S	.	.			trans	-142.8	130.5	173.9	-172.6	0	0	0	0	107.6	L649	L649-V655 HydrophobicContact CB-CG2 4.32Å
656	K	41.8	Very low	50.7	Low	277 Å²	277	98.5 Å²	98.5	100%	1.204	52%	0.516	S	S	*	.			trans	-93.5	0	164.2	-85.4	-169	172	-172.8	0	109.3

Retrieved 656 of 656 residues in 140.4 ms (Link to these results)

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