A0A087YIN3_POEFO Loading...

Transmembrane phosphatase with tensin homology

AlphaFold DB , UniProt , Accession A0A087YIN3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 512 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.9	Very low	31.7	Very low	245 Å²	245	146.5 Å²	146.5	100%	1.207	82%	0.817	S	S	*	*				0	104.1	0	-154.9	167.6	-172.7	0	0	105.9
2	S	28.4	Very low	31.6	Very low	107 Å²	107	148.8 Å²	148.8	75%	0.748	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-81.8	126.1	-167.8	40.3	0	0	0	0	110.9
3	V	28.2	Very low	32	Very low	143 Å²	143	146.5 Å²	146.5	87%	0.867	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-86.2	117.2	175.9	-176.6	0	0	0	0	108.5
4	Y	24.5	Very low	31.8	Very low	217 Å²	217	147.2 Å²	147.2	85%	0.851	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-70.7	139.1	172.8	-100.7	-99.5	0	0	0	110.5
5	F	28.1	Very low	31.9	Very low	192 Å²	192	141.9 Å²	141.9	84%	0.842	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-102.9	124.1	170.2	-158.1	-93.1	0	0	0	107.9
6	D	28.5	Very low	31.5	Very low	147 Å²	147	142.6 Å²	142.6	79%	0.786	81%	0.805	S	S	*	*			trans	-109.5	111.2	178.6	-172.7	15.8	0	0	0	108.8	G8	D6-G8 PolarHBondContact O-N 3.27Å
7	P	33.6	Very low	31.5	Very low	103 Å²	103	144.2 Å²	144.2	67%	0.669	81%	0.809	S	S	*	*			trans	-88	102.3	174.8	32.5	-24.4	0	0	0	108.6
8	G	33.3	Very low	31.4	Very low	61 Å²	61	143 Å²	143	63%	0.629	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-62.2	156.4	166.6	0	0	0	0	0	111.8	D6	D6-G8 PolarHBondContact O-N 3.27Å
9	P	33.1	Very low	31.2	Very low	128 Å²	128	145.2 Å²	145.2	83%	0.831	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-86.6	134.9	-157.9	33.7	-32.7	0	0	0	112.9
10	D	35.9	Very low	31.2	Very low	157 Å²	157	147.1 Å²	147.1	84%	0.84	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-77.6	145.4	154.7	-94.5	-22.8	0	0	0	108.8
11	P	42.1	Very low	31.3	Very low	111 Å²	111	148.9 Å²	148.9	72%	0.721	81%	0.813	S	S	*	*				-151.5	144.5	78	39.8	-20.3	0	0	0	116.6
12	E	30.4	Very low	31.3	Very low	174 Å²	174	144.3 Å²	144.3	81%	0.813	79%	0.794	S	S	*	*				158.3	107.8	112	-81.9	-168.2	166.3	0	0	113.2
13	V	37.4	Very low	31.4	Very low	120 Å²	120	143.8 Å²	143.8	73%	0.727	80%	0.795	S	S	*	*				46.3	98	129.2	-170.1	0	0	0	0	119
14	N	28.7	Very low	31.6	Very low	156 Å²	156	146 Å²	146	83%	0.834	79%	0.793	S	S	*	*				169.1	122.3	110.8	-95.1	-35.9	0	0	0	113.3
15	G	32.8	Very low	32.4	Very low	68 Å²	68	140.7 Å²	140.7	70%	0.701	78%	0.784	S	S	*	*			trans	62.2	81.5	139	0	0	0	0	0	119.5
16	N	26.3	Very low	33.8	Very low	153 Å²	153	139.9 Å²	139.9	82%	0.818	78%	0.782	S	S	*	*				174	120.7	123.4	-96.6	-22.9	0	0	0	108.8	T18	N16-T18 PolarHBondContact O-N 2.52Å
17	I	31.2	Very low	35.9	Very low	169 Å²	169	134.8 Å²	134.8	87%	0.867	76%	0.755	S	S	*	*			trans	-67.7	88	169.7	-59.6	172.1	0	0	0	106.8	K19	I17-K19 PolarHBondContact O-N 2.84Å
18	T	29.1	Very low	37.6	Very low	123 Å²	123	132.2 Å²	132.2	76%	0.755	74%	0.735	S	S	*	*			trans	-70.2	109.7	158.8	30.5	0	0	0	0	105.5	N16 M20	N16-T18 PolarHBondContact O-N 2.52Å; T18-M20 PolarHBondContact O-N 2.82Å; T18-M20 VanDerWaalsContact O-N 3.09Å
19	K	29.2	Very low	39.3	Very low	185 Å²	185	132.7 Å²	132.7	80%	0.804	72%	0.723	S	S	*	*			trans	-48.7	120.3	162.7	-79.3	177.7	172.3	179.8	0	106.3	I17 E21	I17-K19 PolarHBondContact O-N 2.84Å; K19-E21 PolarHBondContact O-N 2.92Å
20	M	31.2	Very low	40.6	Very low	182 Å²	182	126.6 Å²	126.6	90%	0.897	68%	0.684	S	S	*	*			trans	-53.6	109.3	163.4	-75	174.5	73.4	0	0	105.8	T18 D22	T18-M20 PolarHBondContact O-N 2.82Å; T18-M20 VanDerWaalsContact O-N 3.09Å; M20-D22 PolarHBondContact O-N 2.85Å
21	E	33.1	Very low	42.1	Very low	185 Å²	185	122.4 Å²	122.4	86%	0.864	66%	0.659	S	S	*	*			trans	-61.5	117.3	167.9	-73.3	-175.9	149.4	0	0	106	K19 A23	K19-E21 PolarHBondContact O-N 2.92Å; E21-A23 PolarHBondContact O-N 2.9Å; E21-A23 VanDerWaalsContact O-N 3.09Å
22	D	32.3	Very low	42.7	Very low	150 Å²	150	124.3 Å²	124.3	80%	0.802	66%	0.658	S	S	*	*			trans	-49.4	121.3	169.2	-65.8	-44.7	0	0	0	107.4	M20 K24	M20-D22 PolarHBondContact O-N 2.85Å; D22-K24 PolarHBondContact O-N 3.23Å
23	A	30.1	Very low	43.6	Very low	95 Å²	95	124.5 Å²	124.5	79%	0.785	66%	0.659	S	S	*	*			trans	-55.5	103.1	176.9	0	0	0	0	0	108.5	E21 V25	E21-A23 PolarHBondContact O-N 2.9Å; E21-A23 VanDerWaalsContact O-N 3.09Å; A23-V25 PolarHBondContact O-N 3.04Å
24	K	32.7	Very low	44.1	Very low	189 Å²	189	124 Å²	124	82%	0.822	66%	0.66	S	S	*	*			trans	-66.9	101.2	173.8	-90.5	-178.7	175.9	176.3	0	107.8	D22 E26	D22-K24 PolarHBondContact O-N 3.23Å; K24-E26 PolarHBondContact O-N 3.03Å; K24-E26 VanDerWaalsContact O-N 3.09Å
25	V	42.6	Very low	44.9	Very low	107 Å²	107	124.6 Å²	124.6	65%	0.648	66%	0.662	S	S	*	*			trans	-70.7	101.6	165.6	-177.9	0	0	0	0	107.2	A23 I27	A23-V25 PolarHBondContact O-N 3.04Å; V25-I27 HydrophobicContact CG1-CG1 4.32Å; V25-I27 PolarHBondContact O-N 3.45Å
26	E	57.2	Low	45.8	Very low	175 Å²	175	127.9 Å²	127.9	82%	0.818	66%	0.66	S	S	*	*			trans	-77.8	110.4	173.2	-74.2	-173.3	166.5	0	0	109.8	K24	K24-E26 PolarHBondContact O-N 3.03Å; K24-E26 VanDerWaalsContact O-N 3.09Å
27	I	71.7	Confident	47.1	Very low	39 Å²	39	125.2 Å²	125.2	20%	0.2	65%	0.651	C	S	.	*			trans	-88.7	132.7	176.1	-65.4	169.7	0	0	0	107.9	V25 D29	V25-I27 HydrophobicContact CG1-CG1 4.32Å; V25-I27 PolarHBondContact O-N 3.45Å; I27-D29 PolarHBondContact O-N 2.75Å
28	D	70.2	Confident	48.1	Very low	49 Å²	49	121.7 Å²	121.7	26%	0.262	63%	0.634	S	S	.	*			trans	-57.6	104.1	-179	-175.8	12.6	0	0	0	110.4	G30 Y194 R196	D28-G30 PolarHBondContact O-N 2.91Å; D28-G30 PolarHBondContact OD1-N 3.4Å; D28-G30 VanDerWaalsContact OD1-N 3.12Å; D28-Y194 VanDerWaalsContact OD2-CE2 3.29Å; D28-Y194 WeakPolarHBondContact OD2-CE2 3.42Å; D28-Y194 PolarHBondContact OD2-OH 3.18Å; D28-R196 IonicContact OD1-NH1 2.72Å; D28-R196 PolarHBondContact OD1-NH1 2.81Å
29	D	67.4	Low	50.3	Low	71 Å²	71	118.9 Å²	118.9	38%	0.38	62%	0.616	S	S	.	*			trans	-83.4	-3.1	-175.6	92.7	-31	0	0	0	112.4	I27 K31 R192	I27-D29 PolarHBondContact O-N 2.75Å; D29-K31 VanDerWaalsContact C-N 3.28Å; D29-K31 PolarHBondContact O-N 3.48Å; D29-K31 PolarHBondContact OD1-N 2.96Å; D29-R192 IonicContact OD2-NH1 3.88Å; D29-R192 PolarHBondContact OD2-NH1 2.76Å
30	G	62	Low	52.3	Low	1 Å²	1	117.2 Å²	117.2	1%	0.01	61%	0.613	C	S	.	*			trans	71.2	14.7	174.3	0	0	0	0	0	114.4	D28 Q195	D28-G30 PolarHBondContact O-N 2.91Å; D28-G30 PolarHBondContact OD1-N 3.4Å; D28-G30 VanDerWaalsContact OD1-N 3.12Å; G30-Q195 CarbonylContact O-C 3.31Å; G30-Q195 VanDerWaalsContact O-C 3.31Å; G30-Q195 WeakPolarHBondContact O-CA 3.05Å; G30-Q195 PolarHBondContact O-N 3.3Å
31	K	66.2	Low	54.3	Low	69 Å²	69	113.3 Å²	113.3	30%	0.3	59%	0.589	S	S	.	*			trans	-105.1	141.2	176.6	-67.7	-177.1	174.9	-178.5	0	110.9	D29 D339	D29-K31 VanDerWaalsContact C-N 3.28Å; D29-K31 PolarHBondContact O-N 3.48Å; D29-K31 PolarHBondContact OD1-N 2.96Å; K31-D339 WeakPolarHBondContact CE-OD2 3.37Å; K31-D339 IonicContact NZ-OD1 3.85Å; K31-D339 PolarHBondContact NZ-OD1 2.88Å; K31-D339 IonicContact NZ-OD2 3.35Å; K31-D339 PolarHBondContact NZ-OD2 2.64Å
32	E	55.9	Low	56	Low	150 Å²	150	105.6 Å²	105.6	70%	0.701	55%	0.553	S	S	*	*			trans	-74.7	126.9	164.4	-73.5	-179.5	174.6	0	0	109	S34	E32-S34 PolarHBondContact O-N 2.99Å
33	E	48.9	Very low	57.9	Low	179 Å²	179	103.9 Å²	103.9	84%	0.836	54%	0.539	S	S	*	.			trans	-66.3	113.7	173.6	-72	-171	154.2	0	0	110.1	L35	E33-L35 PolarHBondContact O-N 3.17Å
34	S	47.5	Very low	60.1	Low	109 Å²	109	102.4 Å²	102.4	76%	0.762	52%	0.517	S	S	*	.			trans	-83.5	106	177.5	66.3	0	0	0	0	110.7	E32 E36	E32-S34 PolarHBondContact O-N 2.99Å; S34-E36 PolarHBondContact O-N 2.66Å
35	L	46.1	Very low	62.2	Low	168 Å²	168	97 Å²	97	88%	0.88	49%	0.491	S	S	*	.			trans	-77.9	19.4	177.3	-73.8	164.1	0	0	0	114.5	E33	E33-L35 PolarHBondContact O-N 3.17Å
36	E	51.9	Low	63.5	Low	137 Å²	137	97.9 Å²	97.9	64%	0.64	49%	0.486	S	S	*	.			trans	-92.4	136	-171.7	-71.5	-153.5	175.9	0	0	114.5	S34 Q42	S34-E36 PolarHBondContact O-N 2.66Å; E36-Q42 PolarHBondContact OE2-NE2 3.2Å
37	P	52	Low	64.3	Low	97 Å²	97	95.8 Å²	95.8	63%	0.63	48%	0.479	S	S	*	.			trans	-75	131.5	-175.7	28.2	-33.9	0	0	0	113.2	T39 Q42	P37-T39 PolarHBondContact O-N 3.02Å; P37-Q42 PolarHBondContact O-NE2 2.85Å; P37-Q42 PolarHBondContact O-OE1 3.48Å
38	D	53.3	Low	64.5	Low	95 Å²	95	96 Å²	96	51%	0.508	48%	0.48	S	S	.	.			trans	-72.1	92.5	-169.5	-155.7	45.2	0	0	0	113.3	K43 K46	D38-K43 WeakPolarHBondContact OD2-CE 3.24Å; D38-K43 IonicContact OD2-NZ 2.84Å; D38-K46 IonicContact OD1-NZ 2.97Å; D38-K46 PolarHBondContact OD1-NZ 3.3Å
39	T	75.3	Confident	64.6	Low	64 Å²	64	95.7 Å²	95.7	39%	0.393	48%	0.481	S	S	.	.			trans	-98	158.7	178.8	58.2	0	0	0	0	113.1	P37 Y41 Q42 K43	P37-T39 PolarHBondContact O-N 3.02Å; T39-Y41 VanDerWaalsContact C-N 3.25Å; T39-Y41 PolarHBondContact O-N 3.22Å; T39-Q42 CarbonylContact O-C 3.6Å; T39-Q42 WeakPolarHBondContact O-CA 3.49Å; T39-Q42 WeakPolarHBondContact O-CB 3.44Å; T39-Q42 PolarHBondContact O-N 2.94Å; T39-Q42 WeakPolarHBondContact OG1-CG 3.29Å; T39-Q42 PolarHBondContact OG1-N 2.87Å; T39-K43 PolarHBondContact O-N 2.98Å
40	M	70.9	Confident	64.6	Low	150 Å²	150	96.4 Å²	96.4	74%	0.739	49%	0.489	S	S	*	.	H	α-helix	trans	-57.4	-37.9	174.8	-176.6	-178.5	179.1	0	0	112.4	K43 I44	M40-K43 PolarHBondContact O-N 2.86Å; M40-I44 HydrophobicContact CE-CD1 4.22Å; M40-I44 HydrophobicContact CG-CD1 4.28Å; M40-I44 WeakPolarHBondContact O-CG1 3.31Å; M40-I44 PolarHBondContact O-N 3.46Å
41	Y	73	Confident	65.2	Low	100 Å²	100	102.3 Å²	102.3	39%	0.392	52%	0.515	S	S	.	.	H	α-helix	trans	-57.4	-47.2	171.4	170.2	-102.5	0	0	0	111.5	T39 K43 I44 R45 Y110	T39-Y41 VanDerWaalsContact C-N 3.25Å; T39-Y41 PolarHBondContact O-N 3.22Å; Y41-K43 PolarHBondContact O-N 2.9Å; Y41-I44 PolarHBondContact O-N 3.4Å; Y41-R45 VanDerWaalsContact O-CB 3.25Å; Y41-R45 WeakPolarHBondContact O-CB 3.09Å; Y41-R45 PolarHBondContact O-N 3.03Å; Y41-Y110 HydrophobicContact CD2-CE2 4.11Å; Y41-Y110 HydrophobicContact CE2-CD2 4.32Å; Y41-Y110 AromaticContact CE2-CE2 3.7Å; Y41-Y110 HydrophobicContact CE2-CE2 3.7Å; Y41-Y110 AromaticContact CE2-CZ 3.84Å; Y41-Y110 PolarHBondContact OH-O 3.14Å
42	Q	68.7	Low	65.6	Low	24 Å²	24	99.1 Å²	99.1	11%	0.112	50%	0.501	C	S	.	.	H	α-helix	trans	-66.7	-35	176.6	-76.1	177.7	-2.7	0	0	112.9	E36 P37 T39 R45 K46	E36-Q42 PolarHBondContact OE2-NE2 3.2Å; P37-Q42 PolarHBondContact O-NE2 2.85Å; P37-Q42 PolarHBondContact O-OE1 3.48Å; T39-Q42 CarbonylContact O-C 3.6Å; T39-Q42 WeakPolarHBondContact O-CA 3.49Å; T39-Q42 WeakPolarHBondContact O-CB 3.44Å; T39-Q42 PolarHBondContact O-N 2.94Å; T39-Q42 WeakPolarHBondContact OG1-CG 3.29Å; T39-Q42 PolarHBondContact OG1-N 2.87Å; Q42-R45 PolarHBondContact O-N 3.34Å; Q42-K46 VanDerWaalsContact O-CB 3.28Å; Q42-K46 WeakPolarHBondContact O-CB 3.34Å; Q42-K46 WeakPolarHBondContact O-CG 3.3Å; Q42-K46 PolarHBondContact O-N 2.89Å
43	K	73	Confident	66.1	Low	113 Å²	113	94.4 Å²	94.4	49%	0.491	48%	0.48	S	S	.	.	H	α-helix	trans	-61.8	-47.5	174.8	-71	179.8	-178.3	179.5	0	111.5	D38 T39 M40 Y41 K46 I47	D38-K43 WeakPolarHBondContact OD2-CE 3.24Å; D38-K43 IonicContact OD2-NZ 2.84Å; T39-K43 PolarHBondContact O-N 2.98Å; M40-K43 PolarHBondContact O-N 2.86Å; Y41-K43 PolarHBondContact O-N 2.9Å; K43-K46 PolarHBondContact O-N 3.12Å; K43-I47 WeakPolarHBondContact O-CG1 3.42Å; K43-I47 PolarHBondContact O-N 2.92Å; K43-I47 VanDerWaalsContact O-N 3.13Å
44	I	76.2	Confident	67	Low	64 Å²	64	87.6 Å²	87.6	33%	0.328	45%	0.451	S	S	.	.	H	α-helix	trans	-65.7	-44.4	177.2	-64.2	170.2	0	0	0	110.5	M40 Y41 K46 I47 I48 Y110	M40-I44 HydrophobicContact CE-CD1 4.22Å; M40-I44 HydrophobicContact CG-CD1 4.28Å; M40-I44 WeakPolarHBondContact O-CG1 3.31Å; M40-I44 PolarHBondContact O-N 3.46Å; Y41-I44 PolarHBondContact O-N 3.4Å; I44-K46 VanDerWaalsContact C-N 3.32Å; I44-K46 PolarHBondContact O-N 3.29Å; I44-I47 PolarHBondContact O-N 2.94Å; I44-I47 VanDerWaalsContact O-N 3.13Å; I44-I48 HydrophobicContact CG2-CD1 3.59Å; I44-I48 HydrophobicContact CG2-CG1 4.29Å; I44-I48 WeakPolarHBondContact O-CG1 2.88Å; I44-I48 PolarHBondContact O-N 2.93Å; I44-Y110 HydrophobicContact CG2-CE1 4.18Å; I44-Y110 WeakPolarHBondContact CG2-OH 3.19Å
45	R	75.7	Confident	67.8	Low	76 Å²	76	85.8 Å²	85.8	29%	0.287	43%	0.43	S	S	.	.	H	α-helix	trans	-57.9	-42.4	174.3	-172.3	-179.9	179.2	-161.5	2.4	111.5	Y41 Q42 I47 I48 T49 Y110 V111	Y41-R45 VanDerWaalsContact O-CB 3.25Å; Y41-R45 WeakPolarHBondContact O-CB 3.09Å; Y41-R45 PolarHBondContact O-N 3.03Å; Q42-R45 PolarHBondContact O-N 3.34Å; R45-I47 VanDerWaalsContact C-N 3.3Å; R45-I47 PolarHBondContact O-N 3.11Å; R45-I48 PolarHBondContact O-N 2.86Å; R45-T49 WeakPolarHBondContact O-CB 3.33Å; R45-T49 PolarHBondContact O-N 3.42Å; R45-T49 PolarHBondContact O-OG1 2.93Å; R45-Y110 HydrophobicContact CB-CE1 4.5Å; R45-V111 PolarHBondContact NE-O 2.62Å; R45-V111 PolarHBondContact NH2-O 2.99Å
46	K	70.1	Confident	68.9	Low	125 Å²	125	80.1 Å²	80.1	54%	0.543	41%	0.412	S	S	.	.	H	α-helix	trans	-63.3	-32.6	176.7	-78	170.5	-175.2	173.3	0	112.6	D38 Q42 K43 I44 P50	D38-K46 IonicContact OD1-NZ 2.97Å; D38-K46 PolarHBondContact OD1-NZ 3.3Å; Q42-K46 VanDerWaalsContact O-CB 3.28Å; Q42-K46 WeakPolarHBondContact O-CB 3.34Å; Q42-K46 WeakPolarHBondContact O-CG 3.3Å; Q42-K46 PolarHBondContact O-N 2.89Å; K43-K46 PolarHBondContact O-N 3.12Å; I44-K46 VanDerWaalsContact C-N 3.32Å; I44-K46 PolarHBondContact O-N 3.29Å; K46-P50 WeakPolarHBondContact O-CD 3.13Å; K46-P50 WeakPolarHBondContact O-CG 3.24Å
47	I	74.4	Confident	70.2	Confident	131 Å²	131	74.7 Å²	74.7	67%	0.672	39%	0.386	S	S	*	.	H	α-helix	trans	-75.6	-44	176.7	-66.8	165.3	0	0	0	111.4	K43 I44 R45 P50	K43-I47 WeakPolarHBondContact O-CG1 3.42Å; K43-I47 PolarHBondContact O-N 2.92Å; K43-I47 VanDerWaalsContact O-N 3.13Å; I44-I47 PolarHBondContact O-N 2.94Å; I44-I47 VanDerWaalsContact O-N 3.13Å; R45-I47 VanDerWaalsContact C-N 3.3Å; R45-I47 PolarHBondContact O-N 3.11Å; I47-P50 WeakPolarHBondContact O-CD 3.46Å
48	I	75.9	Confident	71.3	Confident	43 Å²	43	71.4 Å²	71.4	22%	0.221	36%	0.361	C	S	.	.	H	α-helix	trans	-77.3	-39.6	-175	-66.3	176.5	0	0	0	111.4	I44 R45 F51 V52 L107 Y110 V111	I44-I48 HydrophobicContact CG2-CD1 3.59Å; I44-I48 HydrophobicContact CG2-CG1 4.29Å; I44-I48 WeakPolarHBondContact O-CG1 2.88Å; I44-I48 PolarHBondContact O-N 2.93Å; R45-I48 PolarHBondContact O-N 2.86Å; I48-F51 WeakPolarHBondContact O-CB 3.48Å; I48-F51 PolarHBondContact O-N 3.38Å; I48-V52 HydrophobicContact CG2-CG2 3.58Å; I48-V52 WeakPolarHBondContact O-CG2 3.46Å; I48-V52 PolarHBondContact O-N 3.42Å; I48-V52 VanDerWaalsContact O-N 3.11Å; I48-L107 HydrophobicContact CG2-CD1 3.64Å; I48-L107 HydrophobicContact CG2-CD2 4.41Å; I48-L107 HydrophobicContact CG2-CG 3.98Å; I48-Y110 HydrophobicContact CD1-CD1 4.47Å; I48-Y110 HydrophobicContact CD1-CE1 4.08Å; I48-V111 HydrophobicContact CG2-CG2 3.86Å
49	T	71.6	Confident	72.3	Confident	44 Å²	44	68.6 Å²	68.6	27%	0.27	35%	0.348	S	S	.	.	H	α-helix	trans	-50.4	-49.4	-175.8	-60.2	0	0	0	0	113.3	R45 F51 V52 M53 V111	R45-T49 WeakPolarHBondContact O-CB 3.33Å; R45-T49 PolarHBondContact O-N 3.42Å; R45-T49 PolarHBondContact O-OG1 2.93Å; T49-F51 VanDerWaalsContact C-N 3.25Å; T49-F51 PolarHBondContact O-N 3.38Å; T49-V52 PolarHBondContact O-N 2.57Å; T49-M53 HydrophobicContact CG2-CG 4.09Å; T49-M53 VanDerWaalsContact O-CB 3.24Å; T49-M53 WeakPolarHBondContact O-CB 3.19Å; T49-M53 WeakPolarHBondContact O-CG 3.27Å; T49-M53 PolarHBondContact O-N 3.23Å; T49-V111 HydrophobicContact CG2-CG1 3.86Å; T49-V111 WeakPolarHBondContact OG1-CG1 3.43Å
50	P	67.3	Low	72.7	Confident	86 Å²	86	70.5 Å²	70.5	56%	0.558	35%	0.351	S	S	*	.	H	α-helix	trans	-58.4	-34	177.2	-24.5	33.4	0	0	0	114.1	K46 I47 M53 S54	K46-P50 WeakPolarHBondContact O-CD 3.13Å; K46-P50 WeakPolarHBondContact O-CG 3.24Å; I47-P50 WeakPolarHBondContact O-CD 3.46Å; P50-M53 CarbonylContact O-C 3.59Å; P50-S54 WeakPolarHBondContact O-CA 3.49Å; P50-S54 VanDerWaalsContact O-CB 3.32Å; P50-S54 WeakPolarHBondContact O-CB 3.26Å; P50-S54 PolarHBondContact O-N 2.96Å
51	F	74.8	Confident	73.2	Confident	125 Å²	125	63.8 Å²	63.8	55%	0.548	32%	0.32	S	S	.	.	H	α-helix	trans	-73.5	-48.7	-179.7	178.6	-97.3	0	0	0	111.9	I48 T49 M53 S54 F57	I48-F51 WeakPolarHBondContact O-CB 3.48Å; I48-F51 PolarHBondContact O-N 3.38Å; T49-F51 VanDerWaalsContact C-N 3.25Å; T49-F51 PolarHBondContact O-N 3.38Å; F51-M53 VanDerWaalsContact C-N 3.26Å; F51-M53 PolarHBondContact O-N 2.98Å; F51-S54 WeakPolarHBondContact O-CB 3.27Å; F51-S54 PolarHBondContact O-N 3.11Å; F51-S54 PolarHBondContact O-OG 3Å; F51-F57 HydrophobicContact CD1-CD2 4.37Å; F51-F57 AromaticContact CE1-CD2 3.61Å; F51-F57 HydrophobicContact CE1-CD2 3.61Å; F51-F57 AromaticContact CE1-CE2 3.81Å; F51-F57 HydrophobicContact CE1-CE2 3.81Å; F51-F57 HydrophobicContact CE1-CG 4.34Å; F51-F57 AromaticContact CZ-CD2 3.85Å; F51-F57 HydrophobicContact CZ-CD2 3.85Å; F51-F57 HydrophobicContact CZ-CE2 4.34Å; F51-F57 WeakPolarHBondContact O-CB 3.3Å
52	V	74.3	Confident	73.4	Confident	1 Å²	1	63 Å²	63	1%	0.006	32%	0.321	C	S	.	.	H	α-helix	trans	-64.6	-35	178	-169.9	0	0	0	0	111.9	I48 T49 S54 F57 R58 L107 R108 V111	I48-V52 HydrophobicContact CG2-CG2 3.58Å; I48-V52 WeakPolarHBondContact O-CG2 3.46Å; I48-V52 PolarHBondContact O-N 3.42Å; I48-V52 VanDerWaalsContact O-N 3.11Å; T49-V52 PolarHBondContact O-N 2.57Å; V52-S54 VanDerWaalsContact C-N 3.27Å; V52-F57 HydrophobicContact CG1-CE1 4.2Å; V52-R58 PolarHBondContact O-NE 3.34Å; V52-L107 HydrophobicContact CB-CD2 4.49Å; V52-L107 HydrophobicContact CG2-CB 4.45Å; V52-L107 HydrophobicContact CG2-CD1 4.48Å; V52-L107 HydrophobicContact CG2-CD2 3.36Å; V52-L107 HydrophobicContact CG2-CG 3.47Å; V52-L107 VanDerWaalsContact CG2-CG 3.47Å; V52-R108 HydrophobicContact CG1-CG 3.94Å; V52-V111 HydrophobicContact CG2-CG2 3.98Å
53	M	66.7	Low	74.2	Confident	52 Å²	52	65.8 Å²	65.8	26%	0.256	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	1.9	176	-57.9	-59.4	-78.1	0	0	112	T49 P50 F51 R58 V182	T49-M53 HydrophobicContact CG2-CG 4.09Å; T49-M53 VanDerWaalsContact O-CB 3.24Å; T49-M53 WeakPolarHBondContact O-CB 3.19Å; T49-M53 WeakPolarHBondContact O-CG 3.27Å; T49-M53 PolarHBondContact O-N 3.23Å; P50-M53 CarbonylContact O-C 3.59Å; F51-M53 VanDerWaalsContact C-N 3.26Å; F51-M53 PolarHBondContact O-N 2.98Å; M53-R58 PolarHBondContact SD-NH2 3.09Å; M53-V182 WeakPolarHBondContact O-CG1 2.97Å; M53-V182 WeakPolarHBondContact O-CG2 3.24Å
54	S	67.5	Low	74.9	Confident	35 Å²	35	61.6 Å²	61.6	25%	0.245	32%	0.319	C	S	.	.			trans	-69.3	143.3	178.2	76.5	0	0	0	0	110.4	P50 F51 V52 G56 F57 R58	P50-S54 WeakPolarHBondContact O-CA 3.49Å; P50-S54 VanDerWaalsContact O-CB 3.32Å; P50-S54 WeakPolarHBondContact O-CB 3.26Å; P50-S54 PolarHBondContact O-N 2.96Å; F51-S54 WeakPolarHBondContact O-CB 3.27Å; F51-S54 PolarHBondContact O-N 3.11Å; F51-S54 PolarHBondContact O-OG 3Å; V52-S54 VanDerWaalsContact C-N 3.27Å; S54-G56 VanDerWaalsContact C-N 3.3Å; S54-G56 PolarHBondContact O-N 3.34Å; S54-F57 PolarHBondContact O-N 3.07Å; S54-F57 WeakPolarHBondContact OG-CB 3.23Å; S54-F57 PolarHBondContact OG-N 3.38Å; S54-R58 WeakPolarHBondContact O-CG 3.45Å; S54-R58 PolarHBondContact O-N 3.27Å; S54-R58 VanDerWaalsContact O-N 3.12Å
55	F	64.9	Low	75.1	Confident	72 Å²	72	58.9 Å²	58.9	32%	0.316	31%	0.305	S	S	.	.	H	α-helix	trans	-62	-39.7	176.7	177.9	-100.2	0	0	0	112.5	F57 R58 V59 L179 V182 M186	F55-F57 VanDerWaalsContact C-N 3.34Å; F55-F57 PolarHBondContact O-N 3Å; F55-R58 PolarHBondContact O-N 2.87Å; F55-V59 HydrophobicContact CD1-CG2 3.91Å; F55-V59 HydrophobicContact CD2-CG2 4.08Å; F55-V59 HydrophobicContact CE1-CG2 3.58Å; F55-V59 HydrophobicContact CE2-CG2 3.74Å; F55-V59 HydrophobicContact CG-CG2 4.15Å; F55-V59 HydrophobicContact CZ-CG2 3.48Å; F55-V59 VanDerWaalsContact CZ-CG2 3.48Å; F55-V59 WeakPolarHBondContact O-CB 3.46Å; F55-V59 WeakPolarHBondContact O-CG2 3.29Å; F55-V59 PolarHBondContact O-N 3.47Å; F55-L179 HydrophobicContact CD2-CD1 3.69Å; F55-L179 HydrophobicContact CE2-CD1 4.01Å; F55-V182 HydrophobicContact CB-CG1 4.1Å; F55-M186 HydrophobicContact CB-CE 3.09Å; F55-M186 HydrophobicContact CB-SD 3.38Å; F55-M186 WeakPolarHBondContact CB-SD 3.19Å; F55-M186 HydrophobicContact CD1-CE 3.88Å; F55-M186 HydrophobicContact CD2-CE 3.79Å; F55-M186 HydrophobicContact CG-CE 3.34Å; F55-M186 HydrophobicContact CG-SD 4.19Å
56	G	69.8	Low	75.5	Confident	48 Å²	48	59.8 Å²	59.8	50%	0.495	32%	0.315	S	S	.	.	H	α-helix	trans	-57.1	-47.6	177.2	0	0	0	0	0	111.6	S54 R58 V59 F60	S54-G56 VanDerWaalsContact C-N 3.3Å; S54-G56 PolarHBondContact O-N 3.34Å; G56-R58 PolarHBondContact O-N 3.14Å; G56-V59 PolarHBondContact O-N 3.31Å; G56-F60 WeakPolarHBondContact O-CB 3.1Å; G56-F60 PolarHBondContact O-N 3.03Å
57	F	79.1	Confident	76.3	Confident	24 Å²	24	56.5 Å²	56.5	11%	0.105	31%	0.305	C	S	.	.	H	α-helix	trans	-63.2	-40.9	177.6	-173	-102.2	0	0	0	112.5	F51 V52 S54 F55 G61 F100 D104 L107	F51-F57 HydrophobicContact CD1-CD2 4.37Å; F51-F57 AromaticContact CE1-CD2 3.61Å; F51-F57 HydrophobicContact CE1-CD2 3.61Å; F51-F57 AromaticContact CE1-CE2 3.81Å; F51-F57 HydrophobicContact CE1-CE2 3.81Å; F51-F57 HydrophobicContact CE1-CG 4.34Å; F51-F57 AromaticContact CZ-CD2 3.85Å; F51-F57 HydrophobicContact CZ-CD2 3.85Å; F51-F57 HydrophobicContact CZ-CE2 4.34Å; F51-F57 WeakPolarHBondContact O-CB 3.3Å; V52-F57 HydrophobicContact CG1-CE1 4.2Å; S54-F57 PolarHBondContact O-N 3.07Å; S54-F57 WeakPolarHBondContact OG-CB 3.23Å; S54-F57 PolarHBondContact OG-N 3.38Å; F55-F57 VanDerWaalsContact C-N 3.34Å; F55-F57 PolarHBondContact O-N 3Å; F57-G61 PolarHBondContact O-N 3.03Å; F57-F100 AromaticContact CE2-CE2 3.96Å; F57-F100 HydrophobicContact CE2-CE2 3.96Å; F57-F100 AromaticContact CE2-CZ 3.85Å; F57-F100 HydrophobicContact CE2-CZ 3.85Å; F57-F100 HydrophobicContact CZ-CE2 4.42Å; F57-F100 HydrophobicContact CZ-CZ 4.05Å; F57-D104 VanDerWaalsContact CE1-OD1 3.29Å; F57-D104 WeakPolarHBondContact CE1-OD1 3.29Å; F57-D104 HydrophobicContact CZ-CB 4.32Å; F57-L107 HydrophobicContact CZ-CD2 4.44Å
58	R	74.8	Confident	76.8	Confident	27 Å²	27	50.6 Å²	50.6	10%	0.102	27%	0.274	C	S	.	.	H	α-helix	trans	-68.1	-43.2	177.9	-65	-66.9	177.8	146.2	-0.2	112.9	V52 M53 S54 F55 G56 G61 M62 R108 L179	V52-R58 PolarHBondContact O-NE 3.34Å; M53-R58 PolarHBondContact SD-NH2 3.09Å; S54-R58 WeakPolarHBondContact O-CG 3.45Å; S54-R58 PolarHBondContact O-N 3.27Å; S54-R58 VanDerWaalsContact O-N 3.12Å; F55-R58 PolarHBondContact O-N 2.87Å; G56-R58 PolarHBondContact O-N 3.14Å; R58-G61 PolarHBondContact O-N 3.21Å; R58-M62 PolarHBondContact O-N 3.12Å; R58-R108 VanDerWaalsContact NH1-NH1 3.19Å; R58-R108 VanDerWaalsContact NH1-NH2 3.2Å; R58-L179 HydrophobicContact CB-CD1 4.29Å
59	V	73.6	Confident	77	Confident	37 Å²	37	50.3 Å²	50.3	22%	0.224	27%	0.273	C	S	.	.	H	α-helix	trans	-66.3	-41.3	176.1	170	0	0	0	0	110.7	F55 G56 M62 I63	F55-V59 HydrophobicContact CD1-CG2 3.91Å; F55-V59 HydrophobicContact CD2-CG2 4.08Å; F55-V59 HydrophobicContact CE1-CG2 3.58Å; F55-V59 HydrophobicContact CE2-CG2 3.74Å; F55-V59 HydrophobicContact CG-CG2 4.15Å; F55-V59 HydrophobicContact CZ-CG2 3.48Å; F55-V59 VanDerWaalsContact CZ-CG2 3.48Å; F55-V59 WeakPolarHBondContact O-CB 3.46Å; F55-V59 WeakPolarHBondContact O-CG2 3.29Å; F55-V59 PolarHBondContact O-N 3.47Å; G56-V59 PolarHBondContact O-N 3.31Å; V59-M62 WeakPolarHBondContact O-CB 3.3Å; V59-M62 PolarHBondContact O-N 2.79Å; V59-M62 VanDerWaalsContact O-N 3.14Å; V59-I63 HydrophobicContact CG1-CD1 3.93Å; V59-I63 HydrophobicContact CG1-CG1 4.41Å; V59-I63 WeakPolarHBondContact O-CG1 3.35Å; V59-I63 PolarHBondContact O-N 3.49Å
60	F	84	Confident	77.6	Confident	103 Å²	103	51.8 Å²	51.8	45%	0.452	28%	0.282	S	S	.	.	H	α-helix	trans	-59.3	-48.1	174.9	-178.3	-108.5	0	0	0	111.4	G56 M62 I63 L64 F100	G56-F60 WeakPolarHBondContact O-CB 3.1Å; G56-F60 PolarHBondContact O-N 3.03Å; F60-M62 VanDerWaalsContact C-N 3.26Å; F60-M62 PolarHBondContact O-N 3.25Å; F60-I63 PolarHBondContact O-N 3.23Å; F60-I63 VanDerWaalsContact O-N 3.17Å; F60-L64 HydrophobicContact CD1-CD1 3.94Å; F60-L64 HydrophobicContact CD1-CG 4.41Å; F60-L64 HydrophobicContact CE1-CD1 3.42Å; F60-L64 VanDerWaalsContact CE1-CD1 3.42Å; F60-L64 HydrophobicContact CE1-CG 4.07Å; F60-L64 HydrophobicContact CE2-CD2 4.37Å; F60-L64 HydrophobicContact CE2-CG 4.4Å; F60-L64 HydrophobicContact CZ-CD1 3.77Å; F60-L64 HydrophobicContact CZ-CD2 4.09Å; F60-L64 HydrophobicContact CZ-CG 4.06Å; F60-L64 WeakPolarHBondContact O-CG 3.39Å; F60-L64 PolarHBondContact O-N 3.15Å; F60-F100 HydrophobicContact CD1-CE1 4.38Å; F60-F100 AromaticContact CD1-CE2 3.79Å; F60-F100 HydrophobicContact CD1-CE2 3.79Å; F60-F100 AromaticContact CD1-CZ 3.63Å; F60-F100 HydrophobicContact CD1-CZ 3.63Å; F60-F100 HydrophobicContact CE1-CD2 4.08Å; F60-F100 AromaticContact CE1-CE2 3.59Å; F60-F100 HydrophobicContact CE1-CE2 3.59Å; F60-F100 AromaticContact CE1-CZ 3.84Å; F60-F100 HydrophobicContact CE1-CZ 3.84Å
61	G	82.6	Confident	78.3	Confident	10 Å²	10	49 Å²	49	10%	0.103	26%	0.262	C	S	.	.	H	α-helix	trans	-58	-36.5	173.8	0	0	0	0	0	113.5	F57 R58 L64 I65	F57-G61 PolarHBondContact O-N 3.03Å; R58-G61 PolarHBondContact O-N 3.21Å; G61-L64 PolarHBondContact O-N 3.08Å; G61-I65 WeakPolarHBondContact O-CG1 3.4Å; G61-I65 PolarHBondContact O-N 3.13Å; G61-I65 VanDerWaalsContact O-N 3.13Å
62	M	77.4	Confident	78.4	Confident	83 Å²	83	44.6 Å²	44.6	41%	0.409	25%	0.245	S	C	.	.	H	α-helix	trans	-67.2	-44.4	175	-177.4	-173.1	73.4	0	0	112.2	R58 V59 F60 L64 I65 I66	R58-M62 PolarHBondContact O-N 3.12Å; V59-M62 WeakPolarHBondContact O-CB 3.3Å; V59-M62 PolarHBondContact O-N 2.79Å; V59-M62 VanDerWaalsContact O-N 3.14Å; F60-M62 VanDerWaalsContact C-N 3.26Å; F60-M62 PolarHBondContact O-N 3.25Å; M62-L64 VanDerWaalsContact C-N 3.28Å; M62-L64 PolarHBondContact O-N 3.07Å; M62-I65 PolarHBondContact O-N 2.55Å; M62-I66 HydrophobicContact CG-CD1 4.47Å; M62-I66 WeakPolarHBondContact O-CG1 3.21Å; M62-I66 PolarHBondContact O-N 2.77Å; M62-I66 VanDerWaalsContact O-N 3.13Å
63	I	84.2	Confident	78.6	Confident	83 Å²	83	49.4 Å²	49.4	43%	0.426	27%	0.27	S	S	.	.	H	α-helix	trans	-59.3	-44.3	175.5	-68.9	167	0	0	0	109.6	V59 F60 I65 I66 V67	V59-I63 HydrophobicContact CG1-CD1 3.93Å; V59-I63 HydrophobicContact CG1-CG1 4.41Å; V59-I63 WeakPolarHBondContact O-CG1 3.35Å; V59-I63 PolarHBondContact O-N 3.49Å; F60-I63 PolarHBondContact O-N 3.23Å; F60-I63 VanDerWaalsContact O-N 3.17Å; I63-I65 VanDerWaalsContact C-N 3.3Å; I63-I65 PolarHBondContact O-N 2.88Å; I63-I66 PolarHBondContact O-N 3.2Å; I63-I66 VanDerWaalsContact O-N 3.12Å; I63-V67 HydrophobicContact CG2-CG2 4.21Å; I63-V67 WeakPolarHBondContact O-CG2 2.88Å; I63-V67 PolarHBondContact O-N 3.23Å
64	L	87.4	Confident	79.3	Confident	24 Å²	24	49 Å²	49	13%	0.126	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-35.9	177.8	-69.5	-177	0	0	0	112.8	F60 G61 M62 V67 D68 I97 F100 F101	F60-L64 HydrophobicContact CD1-CD1 3.94Å; F60-L64 HydrophobicContact CD1-CG 4.41Å; F60-L64 HydrophobicContact CE1-CD1 3.42Å; F60-L64 VanDerWaalsContact CE1-CD1 3.42Å; F60-L64 HydrophobicContact CE1-CG 4.07Å; F60-L64 HydrophobicContact CE2-CD2 4.37Å; F60-L64 HydrophobicContact CE2-CG 4.4Å; F60-L64 HydrophobicContact CZ-CD1 3.77Å; F60-L64 HydrophobicContact CZ-CD2 4.09Å; F60-L64 HydrophobicContact CZ-CG 4.06Å; F60-L64 WeakPolarHBondContact O-CG 3.39Å; F60-L64 PolarHBondContact O-N 3.15Å; G61-L64 PolarHBondContact O-N 3.08Å; M62-L64 VanDerWaalsContact C-N 3.28Å; M62-L64 PolarHBondContact O-N 3.07Å; L64-V67 PolarHBondContact O-N 3.19Å; L64-D68 VanDerWaalsContact O-CB 3.24Å; L64-D68 WeakPolarHBondContact O-CB 3.3Å; L64-D68 PolarHBondContact O-N 2.96Å; L64-I97 HydrophobicContact CB-CG2 4.43Å; L64-I97 HydrophobicContact CD2-CG1 4.3Å; L64-F100 HydrophobicContact CD1-CB 4.34Å; L64-F100 HydrophobicContact CD1-CD1 3.35Å; L64-F100 HydrophobicContact CD1-CD2 4.18Å; L64-F100 HydrophobicContact CD1-CE1 3.62Å; L64-F100 HydrophobicContact CD1-CE2 4.38Å; L64-F100 HydrophobicContact CD1-CG 3.68Å; L64-F100 HydrophobicContact CD1-CZ 4.13Å; L64-F101 HydrophobicContact CB-CE1 4.18Å; L64-F101 HydrophobicContact CB-CZ 3.78Å
65	I	82.3	Confident	79.6	Confident	8 Å²	8	48.1 Å²	48.1	4%	0.041	26%	0.263	C	S	.	.	H	α-helix	trans	-65.1	-42	174.6	-70.7	164.6	0	0	0	110.9	G61 M62 I63 D68 I69 F101 I165 R168 I169 L172	G61-I65 WeakPolarHBondContact O-CG1 3.4Å; G61-I65 PolarHBondContact O-N 3.13Å; G61-I65 VanDerWaalsContact O-N 3.13Å; M62-I65 PolarHBondContact O-N 2.55Å; I63-I65 VanDerWaalsContact C-N 3.3Å; I63-I65 PolarHBondContact O-N 2.88Å; I65-D68 PolarHBondContact O-N 3.08Å; I65-I69 HydrophobicContact CG2-CD1 3.8Å; I65-I69 WeakPolarHBondContact O-CD1 3.27Å; I65-I69 VanDerWaalsContact O-CG1 3.23Å; I65-I69 WeakPolarHBondContact O-CG1 3.38Å; I65-I69 PolarHBondContact O-N 2.87Å; I65-F101 HydrophobicContact CB-CZ 4.41Å; I65-F101 HydrophobicContact CD1-CE1 4.38Å; I65-F101 HydrophobicContact CD1-CZ 4.36Å; I65-F101 HydrophobicContact CG1-CE1 3.86Å; I65-F101 HydrophobicContact CG1-CE2 4.17Å; I65-F101 HydrophobicContact CG1-CZ 3.39Å; I65-I165 HydrophobicContact CG2-CG2 4.36Å; I65-R168 HydrophobicContact CD1-CB 4.17Å; I65-I169 HydrophobicContact CG2-CG1 4.2Å; I65-L172 HydrophobicContact CD1-CD1 3.23Å
66	I	83.1	Confident	80	Confident	95 Å²	95	51.8 Å²	51.8	49%	0.487	28%	0.279	S	S	.	.	H	α-helix	trans	-64.1	-45.4	177.5	-64.2	167.9	0	0	0	110	M62 I63 D68 I69 V70	M62-I66 HydrophobicContact CG-CD1 4.47Å; M62-I66 WeakPolarHBondContact O-CG1 3.21Å; M62-I66 PolarHBondContact O-N 2.77Å; M62-I66 VanDerWaalsContact O-N 3.13Å; I63-I66 PolarHBondContact O-N 3.2Å; I63-I66 VanDerWaalsContact O-N 3.12Å; I66-D68 VanDerWaalsContact C-N 3.35Å; I66-D68 PolarHBondContact O-N 3.16Å; I66-I69 PolarHBondContact O-N 3.01Å; I66-V70 WeakPolarHBondContact O-CG2 3.37Å; I66-V70 PolarHBondContact O-N 2.68Å
67	V	86.9	Confident	80.3	Confident	56 Å²	56	52.9 Å²	52.9	34%	0.339	28%	0.283	S	S	.	.	H	α-helix	trans	-58.9	-47.6	176.1	172	0	0	0	0	110.4	I63 L64 I69 V70 L71 I97	I63-V67 HydrophobicContact CG2-CG2 4.21Å; I63-V67 WeakPolarHBondContact O-CG2 2.88Å; I63-V67 PolarHBondContact O-N 3.23Å; L64-V67 PolarHBondContact O-N 3.19Å; V67-I69 VanDerWaalsContact C-N 3.34Å; V67-I69 PolarHBondContact O-N 2.93Å; V67-V70 WeakPolarHBondContact O-CB 3.5Å; V67-V70 PolarHBondContact O-N 3.41Å; V67-V70 VanDerWaalsContact O-N 3.12Å; V67-L71 HydrophobicContact CG1-CD1 4.03Å; V67-L71 HydrophobicContact CG1-CG 4.24Å; V67-L71 VanDerWaalsContact O-CG 3.31Å; V67-L71 WeakPolarHBondContact O-CG 3.38Å; V67-L71 PolarHBondContact O-N 2.86Å; V67-I97 HydrophobicContact CG1-CD1 3.97Å
68	D	83.9	Confident	80.1	Confident	6 Å²	6	55.4 Å²	55.4	3%	0.032	30%	0.298	C	S	.	.	H	α-helix	trans	-59	-43.1	178.9	-161.6	35.2	0	0	0	111.9	L64 I65 I66 V70 L71 V72 I97 I165	L64-D68 VanDerWaalsContact O-CB 3.24Å; L64-D68 WeakPolarHBondContact O-CB 3.3Å; L64-D68 PolarHBondContact O-N 2.96Å; I65-D68 PolarHBondContact O-N 3.08Å; I66-D68 VanDerWaalsContact C-N 3.35Å; I66-D68 PolarHBondContact O-N 3.16Å; D68-V70 PolarHBondContact O-N 2.9Å; D68-L71 PolarHBondContact O-N 3.11Å; D68-V72 VanDerWaalsContact O-CG2 3.28Å; D68-V72 WeakPolarHBondContact O-CG2 3.46Å; D68-V72 PolarHBondContact O-N 2.99Å; D68-I97 HydrophobicContact CB-CD1 4.45Å; D68-I97 HydrophobicContact CB-CG2 4.07Å; D68-I165 WeakPolarHBondContact OD2-CD1 3.34Å
69	I	80.1	Confident	79.7	Confident	38 Å²	38	59.4 Å²	59.4	20%	0.195	31%	0.313	C	S	.	.	H	α-helix	trans	-62.7	-44	174.7	-68.3	161.4	0	0	0	111.2	I65 I66 V67 L71 V72 I73 I165 L166 I169	I65-I69 HydrophobicContact CG2-CD1 3.8Å; I65-I69 WeakPolarHBondContact O-CD1 3.27Å; I65-I69 VanDerWaalsContact O-CG1 3.23Å; I65-I69 WeakPolarHBondContact O-CG1 3.38Å; I65-I69 PolarHBondContact O-N 2.87Å; I66-I69 PolarHBondContact O-N 3.01Å; V67-I69 VanDerWaalsContact C-N 3.34Å; V67-I69 PolarHBondContact O-N 2.93Å; I69-L71 VanDerWaalsContact C-N 3.34Å; I69-V72 PolarHBondContact O-N 2.93Å; I69-I73 HydrophobicContact CG2-CD1 3.84Å; I69-I73 HydrophobicContact CG2-CG1 4.5Å; I69-I73 VanDerWaalsContact O-CG1 3.29Å; I69-I73 WeakPolarHBondContact O-CG1 3.15Å; I69-I73 PolarHBondContact O-N 2.96Å; I69-I165 HydrophobicContact CG1-CG2 4.37Å; I69-L166 HydrophobicContact CD1-CD2 3.65Å; I69-L166 HydrophobicContact CG1-CD2 4.03Å; I69-I169 HydrophobicContact CD1-CD1 3.76Å; I69-I169 HydrophobicContact CD1-CG1 4.41Å
70	V	84.3	Confident	79.2	Confident	75 Å²	75	67.2 Å²	67.2	46%	0.455	35%	0.346	S	S	.	.	H	α-helix	trans	-62.5	-43.3	177.1	171	0	0	0	0	110.5	I66 V67 D68 V72 I73 V74	I66-V70 WeakPolarHBondContact O-CG2 3.37Å; I66-V70 PolarHBondContact O-N 2.68Å; V67-V70 WeakPolarHBondContact O-CB 3.5Å; V67-V70 PolarHBondContact O-N 3.41Å; V67-V70 VanDerWaalsContact O-N 3.12Å; D68-V70 PolarHBondContact O-N 2.9Å; V70-V72 VanDerWaalsContact C-N 3.33Å; V70-V72 PolarHBondContact O-N 2.98Å; V70-I73 PolarHBondContact O-N 2.96Å; V70-V74 HydrophobicContact CG1-CG2 4.16Å; V70-V74 WeakPolarHBondContact O-CB 3.36Å; V70-V74 VanDerWaalsContact O-CG2 3.28Å; V70-V74 WeakPolarHBondContact O-CG2 3.38Å; V70-V74 PolarHBondContact O-N 2.81Å
71	L	82.1	Confident	78.2	Confident	28 Å²	28	70.9 Å²	70.9	15%	0.147	36%	0.362	C	S	.	.	H	α-helix	trans	-61	-42.3	176.5	-68.3	176.3	0	0	0	111.5	V67 D68 I69 I73 V74 D75 I90 V93 I97	V67-L71 HydrophobicContact CG1-CD1 4.03Å; V67-L71 HydrophobicContact CG1-CG 4.24Å; V67-L71 VanDerWaalsContact O-CG 3.31Å; V67-L71 WeakPolarHBondContact O-CG 3.38Å; V67-L71 PolarHBondContact O-N 2.86Å; D68-L71 PolarHBondContact O-N 3.11Å; I69-L71 VanDerWaalsContact C-N 3.34Å; L71-I73 VanDerWaalsContact C-N 3.35Å; L71-I73 PolarHBondContact O-N 2.8Å; L71-V74 PolarHBondContact O-N 2.78Å; L71-D75 VanDerWaalsContact O-CB 3.26Å; L71-D75 WeakPolarHBondContact O-CB 3.37Å; L71-D75 PolarHBondContact O-N 2.83Å; L71-I90 HydrophobicContact CB-CG2 4.38Å; L71-I90 HydrophobicContact CD2-CG1 4.42Å; L71-I90 HydrophobicContact CD2-CG2 4.28Å; L71-V93 HydrophobicContact CD1-CB 4.25Å; L71-V93 HydrophobicContact CD1-CG1 3.6Å; L71-I97 HydrophobicContact CD1-CD1 3.94Å
72	V	77	Confident	77.3	Confident	32 Å²	32	72.6 Å²	72.6	19%	0.194	37%	0.368	C	S	.	.	H	α-helix	trans	-62.2	-41.4	174.9	171.6	0	0	0	0	111.7	D68 I69 V70 F76 R162	D68-V72 VanDerWaalsContact O-CG2 3.28Å; D68-V72 WeakPolarHBondContact O-CG2 3.46Å; D68-V72 PolarHBondContact O-N 2.99Å; I69-V72 PolarHBondContact O-N 2.93Å; V70-V72 VanDerWaalsContact C-N 3.33Å; V70-V72 PolarHBondContact O-N 2.98Å; V72-F76 WeakPolarHBondContact O-CB 3.32Å; V72-F76 PolarHBondContact O-N 3.34Å; V72-R162 HydrophobicContact CG1-CB 4.18Å; V72-R162 HydrophobicContact CG2-CB 3.97Å
73	I	78.8	Confident	76.8	Confident	101 Å²	101	70.4 Å²	70.4	52%	0.518	37%	0.368	S	S	.	.	H	α-helix	trans	-67.7	-43.6	177.6	-67.6	166.3	0	0	0	111	I69 V70 L71 F76 A77	I69-I73 HydrophobicContact CG2-CD1 3.84Å; I69-I73 HydrophobicContact CG2-CG1 4.5Å; I69-I73 VanDerWaalsContact O-CG1 3.29Å; I69-I73 WeakPolarHBondContact O-CG1 3.15Å; I69-I73 PolarHBondContact O-N 2.96Å; V70-I73 PolarHBondContact O-N 2.96Å; L71-I73 VanDerWaalsContact C-N 3.35Å; L71-I73 PolarHBondContact O-N 2.8Å; I73-F76 PolarHBondContact O-N 2.88Å; I73-A77 VanDerWaalsContact O-CB 3.25Å; I73-A77 WeakPolarHBondContact O-CB 3.19Å; I73-A77 PolarHBondContact O-N 3.01Å
74	V	80.9	Confident	76.1	Confident	45 Å²	45	74.9 Å²	74.9	27%	0.273	39%	0.387	S	S	.	.	H	α-helix	trans	-63.6	-48.1	179	167.2	0	0	0	0	110.7	V70 L71 F76 A77 L78 I90	V70-V74 HydrophobicContact CG1-CG2 4.16Å; V70-V74 WeakPolarHBondContact O-CB 3.36Å; V70-V74 VanDerWaalsContact O-CG2 3.28Å; V70-V74 WeakPolarHBondContact O-CG2 3.38Å; V70-V74 PolarHBondContact O-N 2.81Å; L71-V74 PolarHBondContact O-N 2.78Å; V74-F76 PolarHBondContact O-N 2.92Å; V74-A77 PolarHBondContact O-N 3.41Å; V74-L78 HydrophobicContact CG1-CD1 4.34Å; V74-L78 PolarHBondContact O-N 2.72Å; V74-I90 HydrophobicContact CG1-CD1 4.04Å
75	D	74.9	Confident	75.4	Confident	16 Å²	16	79 Å²	79	9%	0.086	41%	0.413	C	S	.	.	H	α-helix	trans	-57.8	-38.8	175.3	179.8	55.1	0	0	0	111.3	L71 R79 I90	L71-D75 VanDerWaalsContact O-CB 3.26Å; L71-D75 WeakPolarHBondContact O-CB 3.37Å; L71-D75 PolarHBondContact O-N 2.83Å; D75-R79 VanDerWaalsContact O-CB 3.31Å; D75-R79 WeakPolarHBondContact O-CB 3.1Å; D75-I90 HydrophobicContact CB-CG2 4.5Å
76	F	73.3	Confident	75	Confident	149 Å²	149	83.9 Å²	83.9	65%	0.654	44%	0.436	S	S	*	.	H	α-helix	trans	-71.9	-46.2	176.9	-176	-99	0	0	0	113.3	V72 I73 V74	V72-F76 WeakPolarHBondContact O-CB 3.32Å; V72-F76 PolarHBondContact O-N 3.34Å; I73-F76 PolarHBondContact O-N 2.88Å; V74-F76 PolarHBondContact O-N 2.92Å
77	A	76.8	Confident	74.6	Confident	71 Å²	71	80.1 Å²	80.1	59%	0.587	42%	0.421	S	S	*	.	H	α-helix	trans	-82.9	-30.1	-169	0	0	0	0	0	113.9	I73 V74	I73-A77 VanDerWaalsContact O-CB 3.25Å; I73-A77 WeakPolarHBondContact O-CB 3.19Å; I73-A77 PolarHBondContact O-N 3.01Å; V74-A77 PolarHBondContact O-N 3.41Å
78	L	73.8	Confident	74.1	Confident	77 Å²	77	81.3 Å²	81.3	40%	0.403	43%	0.425	S	S	.	.	H	α-helix	trans	-115.7	7.7	-169.7	-63.6	173.9	0	0	0	113.6	V74 H80 K81 L82	V74-L78 HydrophobicContact CG1-CD1 4.34Å; V74-L78 PolarHBondContact O-N 2.72Å; L78-H80 VanDerWaalsContact C-N 3.26Å; L78-H80 PolarHBondContact O-N 3.43Å; L78-H80 VanDerWaalsContact O-N 3.08Å; L78-K81 WeakPolarHBondContact O-CA 3.46Å; L78-K81 PolarHBondContact O-N 3.29Å; L78-L82 HydrophobicContact CB-CD1 3.27Å; L78-L82 WeakPolarHBondContact O-CD1 3.48Å; L78-L82 PolarHBondContact O-N 2.71Å; L78-L82 VanDerWaalsContact O-N 3.14Å
79	R	65.6	Low	73.9	Confident	110 Å²	110	85.2 Å²	85.2	42%	0.415	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-38.1	-174.5	-154	161.5	-171.8	-109	-8.9	115.6	D75 K81 Y140 R159	D75-R79 VanDerWaalsContact O-CB 3.31Å; D75-R79 WeakPolarHBondContact O-CB 3.1Å; R79-K81 PolarHBondContact O-N 3.25Å; R79-Y140 PolarHBondContact NH2-OH 2.81Å; R79-Y140 VanDerWaalsContact NH2-OH 3.12Å; R79-R159 VanDerWaalsContact CZ-CZ 3.42Å; R79-R159 VanDerWaalsContact NH1-NH1 3.15Å; R79-R159 VanDerWaalsContact NH1-NH2 3.13Å
80	H	64.2	Low	74	Confident	201 Å²	201	84.3 Å²	84.3	93%	0.931	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-5.6	-179.9	-73.2	-74.2	0	0	0	113.8	L78	L78-H80 VanDerWaalsContact C-N 3.26Å; L78-H80 PolarHBondContact O-N 3.43Å; L78-H80 VanDerWaalsContact O-N 3.08Å
81	K	62.7	Low	73.7	Confident	181 Å²	181	81.3 Å²	81.3	79%	0.787	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	-17.5	-179.1	-74	-174.5	175.4	-177.6	0	113.8	L78 R79	L78-K81 WeakPolarHBondContact O-CA 3.46Å; L78-K81 PolarHBondContact O-N 3.29Å; R79-K81 PolarHBondContact O-N 3.25Å
82	L	64.3	Low	73.7	Confident	45 Å²	45	82.5 Å²	82.5	24%	0.236	44%	0.439	C	S	.	.	S	Bend	trans	-81.4	139.7	177.8	-88.1	81.5	0	0	0	110.8	L78 E86 I90	L78-L82 HydrophobicContact CB-CD1 3.27Å; L78-L82 WeakPolarHBondContact O-CD1 3.48Å; L78-L82 PolarHBondContact O-N 2.71Å; L78-L82 VanDerWaalsContact O-N 3.14Å; L82-E86 WeakPolarHBondContact CA-OE2 3.48Å; L82-E86 HydrophobicContact CB-CB 4.26Å; L82-E86 HydrophobicContact CD2-CB 3.83Å; L82-E86 HydrophobicContact CG-CB 4.14Å; L82-I90 HydrophobicContact CD2-CD1 3.38Å
83	G	66.8	Low	74.2	Confident	38 Å²	38	83.8 Å²	83.8	39%	0.392	45%	0.447	S	S	.	.			trans	-72.5	159.8	170.1	0	0	0	0	0	112.1	T85 E86 G87	G83-T85 PolarHBondContact O-N 3.4Å; G83-T85 VanDerWaalsContact O-N 3.16Å; G83-E86 PolarHBondContact N-OE2 2.96Å; G83-E86 PolarHBondContact O-N 3.09Å; G83-G87 PolarHBondContact O-N 3.12Å; G83-G87 VanDerWaalsContact O-N 3.16Å
84	E	68.6	Low	74.4	Confident	176 Å²	176	79 Å²	79	82%	0.822	42%	0.423	S	S	*	.	H	α-helix	trans	-52.6	-37.9	177.9	-70.5	-175.8	164.8	0	0	112.5	E86 N88	E84-E86 PolarHBondContact O-N 2.94Å; E84-N88 PolarHBondContact O-N 2.73Å; E84-N88 VanDerWaalsContact O-N 3.16Å; E84-N88 PolarHBondContact O-ND2 3.45Å; E84-N88 VanDerWaalsContact O-ND2 3.1Å
85	T	72.6	Confident	74.7	Confident	112 Å²	112	78.7 Å²	78.7	69%	0.687	42%	0.419	S	S	*	.	H	α-helix	trans	-64.2	-39.3	177.7	-47.1	0	0	0	0	112.7	G83 V89	G83-T85 PolarHBondContact O-N 3.4Å; G83-T85 VanDerWaalsContact O-N 3.16Å; T85-V89 WeakPolarHBondContact O-CG2 3.5Å; T85-V89 PolarHBondContact O-N 3.19Å
86	E	74.4	Confident	75.4	Confident	109 Å²	109	82.5 Å²	82.5	51%	0.509	44%	0.443	S	S	.	.	H	α-helix	trans	-74.4	-36.3	-177.7	-61.6	175.1	152	0	0	111.3	L82 G83 E84 V89 I90	L82-E86 WeakPolarHBondContact CA-OE2 3.48Å; L82-E86 HydrophobicContact CB-CB 4.26Å; L82-E86 HydrophobicContact CD2-CB 3.83Å; L82-E86 HydrophobicContact CG-CB 4.14Å; G83-E86 PolarHBondContact N-OE2 2.96Å; G83-E86 PolarHBondContact O-N 3.09Å; E84-E86 PolarHBondContact O-N 2.94Å; E86-V89 PolarHBondContact O-N 3.09Å; E86-I90 WeakPolarHBondContact O-CG1 3.46Å; E86-I90 PolarHBondContact O-N 3.38Å
87	G	74.3	Confident	76.2	Confident	17 Å²	17	75.9 Å²	75.9	18%	0.175	41%	0.414	C	S	.	.	H	α-helix	trans	-60.2	-49	172.8	0	0	0	0	0	112.3	G83 V89 I90 E91	G83-G87 PolarHBondContact O-N 3.12Å; G83-G87 VanDerWaalsContact O-N 3.16Å; G87-V89 VanDerWaalsContact C-N 3.27Å; G87-V89 PolarHBondContact O-N 3.04Å; G87-I90 PolarHBondContact O-N 2.84Å; G87-I90 VanDerWaalsContact O-N 3.12Å; G87-E91 WeakPolarHBondContact O-CG 3.46Å; G87-E91 PolarHBondContact O-N 3.46Å
88	N	76.1	Confident	76.6	Confident	81 Å²	81	72.6 Å²	72.6	43%	0.433	39%	0.388	S	S	.	.	H	α-helix	trans	-57.5	-37.4	178	-76.6	-35.2	0	0	0	113.1	E84 E91 A92	E84-N88 PolarHBondContact O-N 2.73Å; E84-N88 VanDerWaalsContact O-N 3.16Å; E84-N88 PolarHBondContact O-ND2 3.45Å; E84-N88 VanDerWaalsContact O-ND2 3.1Å; N88-E91 PolarHBondContact O-N 3.29Å; N88-A92 WeakPolarHBondContact O-CB 3.48Å; N88-A92 PolarHBondContact O-N 2.87Å
89	V	81.4	Confident	77.5	Confident	87 Å²	87	73.8 Å²	73.8	53%	0.527	39%	0.39	S	S	.	.	H	α-helix	trans	-67.8	-44.8	177	173.1	0	0	0	0	111.3	T85 E86 G87 E91 A92 V93	T85-V89 WeakPolarHBondContact O-CG2 3.5Å; T85-V89 PolarHBondContact O-N 3.19Å; E86-V89 PolarHBondContact O-N 3.09Å; G87-V89 VanDerWaalsContact C-N 3.27Å; G87-V89 PolarHBondContact O-N 3.04Å; V89-E91 VanDerWaalsContact C-N 3.26Å; V89-E91 PolarHBondContact O-N 2.81Å; V89-A92 PolarHBondContact O-N 3.07Å; V89-V93 HydrophobicContact CG1-CG2 4.44Å; V89-V93 VanDerWaalsContact O-CG2 3.28Å; V89-V93 WeakPolarHBondContact O-CG2 3.32Å; V89-V93 PolarHBondContact O-N 3.37Å
90	I	80.9	Confident	78.7	Confident	20 Å²	20	71.1 Å²	71.1	10%	0.103	38%	0.381	C	S	.	.	H	α-helix	trans	-59.9	-40.5	177.7	-70.6	171.7	0	0	0	110.8	L71 V74 D75 L82 E86 G87 V93 S94	L71-I90 HydrophobicContact CB-CG2 4.38Å; L71-I90 HydrophobicContact CD2-CG1 4.42Å; L71-I90 HydrophobicContact CD2-CG2 4.28Å; V74-I90 HydrophobicContact CG1-CD1 4.04Å; D75-I90 HydrophobicContact CB-CG2 4.5Å; L82-I90 HydrophobicContact CD2-CD1 3.38Å; E86-I90 WeakPolarHBondContact O-CG1 3.46Å; E86-I90 PolarHBondContact O-N 3.38Å; G87-I90 PolarHBondContact O-N 2.84Å; G87-I90 VanDerWaalsContact O-N 3.12Å; I90-V93 PolarHBondContact O-N 2.97Å; I90-S94 WeakPolarHBondContact O-CB 3.48Å; I90-S94 PolarHBondContact O-N 3Å; I90-S94 PolarHBondContact O-OG 3.15Å
91	E	77.8	Confident	79.9	Confident	11 Å²	11	61.9 Å²	61.9	5%	0.051	34%	0.338	C	S	.	.	H	α-helix	trans	-66.6	-45.9	178.5	-70.9	-178	-158	0	0	112.7	G87 N88 V89 V93 S94 L95 Y140 T141	G87-E91 WeakPolarHBondContact O-CG 3.46Å; G87-E91 PolarHBondContact O-N 3.46Å; N88-E91 PolarHBondContact O-N 3.29Å; V89-E91 VanDerWaalsContact C-N 3.26Å; V89-E91 PolarHBondContact O-N 2.81Å; E91-V93 VanDerWaalsContact C-N 3.32Å; E91-V93 PolarHBondContact O-N 3.4Å; E91-S94 PolarHBondContact O-N 2.77Å; E91-L95 WeakPolarHBondContact O-CB 3.38Å; E91-L95 PolarHBondContact O-N 2.95Å; E91-Y140 HydrophobicContact CG-CD1 4.01Å; E91-Y140 HydrophobicContact CG-CE1 3.54Å; E91-Y140 WeakPolarHBondContact OE1-CE1 3.15Å; E91-Y140 PolarHBondContact OE1-OH 2.94Å; E91-Y140 WeakPolarHBondContact OE2-CE1 3.26Å; E91-T141 HydrophobicContact CB-CG2 4.18Å
92	A	83	Confident	81.3	Confident	54 Å²	54	55.3 Å²	55.3	45%	0.446	31%	0.312	S	S	.	.	H	α-helix	trans	-61.2	-41	176.3	0	0	0	0	0	112	N88 V89 L95 T96	N88-A92 WeakPolarHBondContact O-CB 3.48Å; N88-A92 PolarHBondContact O-N 2.87Å; V89-A92 PolarHBondContact O-N 3.07Å; A92-L95 PolarHBondContact O-N 3.14Å; A92-T96 PolarHBondContact O-N 3.03Å; A92-T96 PolarHBondContact O-OG1 3.24Å
93	V	86.8	Confident	82.5	Confident	59 Å²	59	54.9 Å²	54.9	36%	0.358	32%	0.318	S	S	.	.	H	α-helix	trans	-64.6	-44.8	175.1	175.5	0	0	0	0	110.7	L71 V89 I90 E91 L95 T96 I97	L71-V93 HydrophobicContact CD1-CB 4.25Å; L71-V93 HydrophobicContact CD1-CG1 3.6Å; V89-V93 HydrophobicContact CG1-CG2 4.44Å; V89-V93 VanDerWaalsContact O-CG2 3.28Å; V89-V93 WeakPolarHBondContact O-CG2 3.32Å; V89-V93 PolarHBondContact O-N 3.37Å; I90-V93 PolarHBondContact O-N 2.97Å; E91-V93 VanDerWaalsContact C-N 3.32Å; E91-V93 PolarHBondContact O-N 3.4Å; V93-L95 VanDerWaalsContact C-N 3.34Å; V93-L95 PolarHBondContact O-N 3.34Å; V93-T96 WeakPolarHBondContact O-CB 3.49Å; V93-T96 PolarHBondContact O-N 3.19Å; V93-I97 HydrophobicContact CG1-CD1 3.93Å; V93-I97 WeakPolarHBondContact O-CG1 3.39Å; V93-I97 PolarHBondContact O-N 2.86Å
94	S	83.8	Confident	83.6	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.007	30%	0.3	C	S	.	.	H	α-helix	trans	-62.5	-39.6	178.5	-56.9	0	0	0	0	112.4	I90 E91 I97 S98	I90-S94 WeakPolarHBondContact O-CB 3.48Å; I90-S94 PolarHBondContact O-N 3Å; I90-S94 PolarHBondContact O-OG 3.15Å; E91-S94 PolarHBondContact O-N 2.77Å; S94-I97 PolarHBondContact O-N 2.88Å; S94-S98 PolarHBondContact O-N 3.26Å; S94-S98 PolarHBondContact O-OG 3.01Å
95	L	86.9	Confident	84.5	Confident	38 Å²	38	45.4 Å²	45.4	20%	0.199	26%	0.264	C	S	.	.	H	α-helix	trans	-64.8	-43.8	174.9	-176.9	63.4	0	0	0	111.3	E91 A92 V93 I97 S98 F99 L134 T137 M138 T141	E91-L95 WeakPolarHBondContact O-CB 3.38Å; E91-L95 PolarHBondContact O-N 2.95Å; A92-L95 PolarHBondContact O-N 3.14Å; V93-L95 VanDerWaalsContact C-N 3.34Å; V93-L95 PolarHBondContact O-N 3.34Å; L95-I97 VanDerWaalsContact C-N 3.33Å; L95-I97 PolarHBondContact O-N 2.82Å; L95-S98 WeakPolarHBondContact O-CB 3.38Å; L95-S98 PolarHBondContact O-N 2.69Å; L95-F99 HydrophobicContact CD1-CD2 4.03Å; L95-F99 HydrophobicContact CD1-CE2 3.56Å; L95-F99 HydrophobicContact CD1-CZ 4.4Å; L95-F99 HydrophobicContact CD2-CE2 4.2Å; L95-F99 HydrophobicContact CG-CD2 3.95Å; L95-F99 HydrophobicContact CG-CE2 3.68Å; L95-F99 VanDerWaalsContact O-CD2 3.28Å; L95-F99 WeakPolarHBondContact O-CD2 3.37Å; L95-F99 PolarHBondContact O-N 2.58Å; L95-L134 HydrophobicContact CD1-CD1 4.22Å; L95-T137 HydrophobicContact CB-CG2 3.97Å; L95-T137 HydrophobicContact CD1-CG2 3.96Å; L95-M138 HydrophobicContact CD1-CG 3.87Å; L95-T141 HydrophobicContact CD2-CG2 4.35Å
96	T	89.8	Confident	85.4	Confident	96 Å²	96	45.1 Å²	45.1	59%	0.589	26%	0.258	S	S	*	.	H	α-helix	trans	-58.5	-45.3	175.7	-55.9	0	0	0	0	111.5	A92 V93 S98 F99 F100	A92-T96 PolarHBondContact O-N 3.03Å; A92-T96 PolarHBondContact O-OG1 3.24Å; V93-T96 WeakPolarHBondContact O-CB 3.49Å; V93-T96 PolarHBondContact O-N 3.19Å; T96-S98 VanDerWaalsContact C-N 3.34Å; T96-S98 PolarHBondContact O-N 3Å; T96-F99 PolarHBondContact O-N 2.94Å; T96-F100 PolarHBondContact O-N 3.39Å
97	I	89.1	Confident	86	Confident	9 Å²	9	42.2 Å²	42.2	5%	0.046	25%	0.245	C	C	.	.	H	α-helix	trans	-62.4	-41.6	176.7	-68.5	170.1	0	0	0	111.2	L64 V67 D68 L71 V93 S94 L95 F99 F100 F101	L64-I97 HydrophobicContact CB-CG2 4.43Å; L64-I97 HydrophobicContact CD2-CG1 4.3Å; V67-I97 HydrophobicContact CG1-CD1 3.97Å; D68-I97 HydrophobicContact CB-CD1 4.45Å; D68-I97 HydrophobicContact CB-CG2 4.07Å; L71-I97 HydrophobicContact CD1-CD1 3.94Å; V93-I97 HydrophobicContact CG1-CD1 3.93Å; V93-I97 WeakPolarHBondContact O-CG1 3.39Å; V93-I97 PolarHBondContact O-N 2.86Å; S94-I97 PolarHBondContact O-N 2.88Å; L95-I97 VanDerWaalsContact C-N 3.33Å; L95-I97 PolarHBondContact O-N 2.82Å; I97-F99 PolarHBondContact O-N 2.89Å; I97-F100 WeakPolarHBondContact O-CB 3.4Å; I97-F100 PolarHBondContact O-N 3.45Å; I97-F101 HydrophobicContact CG2-CD2 3.75Å; I97-F101 HydrophobicContact CG2-CE2 3.19Å; I97-F101 HydrophobicContact CG2-CZ 3.84Å; I97-F101 VanDerWaalsContact O-CD2 3.22Å; I97-F101 WeakPolarHBondContact O-CD2 3.42Å; I97-F101 WeakPolarHBondContact O-CG 3.37Å; I97-F101 PolarHBondContact O-N 2.86Å; I97-F101 VanDerWaalsContact O-N 3.1Å
98	S	86.5	Confident	86.5	Confident	3 Å²	3	42 Å²	42	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-61.6	-42.6	178	-61	0	0	0	0	112.1	S94 L95 T96 F101 L102	S94-S98 PolarHBondContact O-N 3.26Å; S94-S98 PolarHBondContact O-OG 3.01Å; L95-S98 WeakPolarHBondContact O-CB 3.38Å; L95-S98 PolarHBondContact O-N 2.69Å; T96-S98 VanDerWaalsContact C-N 3.34Å; T96-S98 PolarHBondContact O-N 3Å; S98-F101 PolarHBondContact O-N 2.83Å; S98-L102 PolarHBondContact O-N 3.12Å
99	F	91.2	Very high	87	Confident	102 Å²	102	39.3 Å²	39.3	45%	0.447	23%	0.226	S	C	.	.	H	α-helix	trans	-65.8	-38.5	174.8	-81.6	-65.1	0	0	0	112.9	L95 T96 I97 F101 L102 G103 L134 M138	L95-F99 HydrophobicContact CD1-CD2 4.03Å; L95-F99 HydrophobicContact CD1-CE2 3.56Å; L95-F99 HydrophobicContact CD1-CZ 4.4Å; L95-F99 HydrophobicContact CD2-CE2 4.2Å; L95-F99 HydrophobicContact CG-CD2 3.95Å; L95-F99 HydrophobicContact CG-CE2 3.68Å; L95-F99 VanDerWaalsContact O-CD2 3.28Å; L95-F99 WeakPolarHBondContact O-CD2 3.37Å; L95-F99 PolarHBondContact O-N 2.58Å; T96-F99 PolarHBondContact O-N 2.94Å; I97-F99 PolarHBondContact O-N 2.89Å; F99-F101 VanDerWaalsContact C-N 3.28Å; F99-F101 PolarHBondContact O-N 2.85Å; F99-L102 PolarHBondContact O-N 3.35Å; F99-G103 PolarHBondContact O-N 3.31Å; F99-L134 HydrophobicContact CD1-CD1 4.13Å; F99-L134 HydrophobicContact CD1-CD2 4.47Å; F99-L134 HydrophobicContact CD2-CD1 4.37Å; F99-L134 HydrophobicContact CE1-CD1 3.99Å; F99-L134 HydrophobicContact CE1-CD2 4.27Å; F99-L134 HydrophobicContact CE2-CD1 4.25Å; F99-L134 HydrophobicContact CG-CD1 4.3Å; F99-L134 HydrophobicContact CZ-CD1 4.05Å; F99-M138 HydrophobicContact CZ-SD 4.4Å
100	F	92.1	Very high	87.2	Confident	54 Å²	54	38.9 Å²	38.9	24%	0.237	22%	0.215	C	C	.	.	H	α-helix	trans	-57.1	-44.1	173.3	173.4	-90	0	0	0	111.2	F57 F60 L64 T96 I97 G103 D104	F57-F100 AromaticContact CE2-CE2 3.96Å; F57-F100 HydrophobicContact CE2-CE2 3.96Å; F57-F100 AromaticContact CE2-CZ 3.85Å; F57-F100 HydrophobicContact CE2-CZ 3.85Å; F57-F100 HydrophobicContact CZ-CE2 4.42Å; F57-F100 HydrophobicContact CZ-CZ 4.05Å; F60-F100 HydrophobicContact CD1-CE1 4.38Å; F60-F100 AromaticContact CD1-CE2 3.79Å; F60-F100 HydrophobicContact CD1-CE2 3.79Å; F60-F100 AromaticContact CD1-CZ 3.63Å; F60-F100 HydrophobicContact CD1-CZ 3.63Å; F60-F100 HydrophobicContact CE1-CD2 4.08Å; F60-F100 AromaticContact CE1-CE2 3.59Å; F60-F100 HydrophobicContact CE1-CE2 3.59Å; F60-F100 AromaticContact CE1-CZ 3.84Å; F60-F100 HydrophobicContact CE1-CZ 3.84Å; L64-F100 HydrophobicContact CD1-CB 4.34Å; L64-F100 HydrophobicContact CD1-CD1 3.35Å; L64-F100 HydrophobicContact CD1-CD2 4.18Å; L64-F100 HydrophobicContact CD1-CE1 3.62Å; L64-F100 HydrophobicContact CD1-CE2 4.38Å; L64-F100 HydrophobicContact CD1-CG 3.68Å; L64-F100 HydrophobicContact CD1-CZ 4.13Å; T96-F100 PolarHBondContact O-N 3.39Å; I97-F100 WeakPolarHBondContact O-CB 3.4Å; I97-F100 PolarHBondContact O-N 3.45Å; F100-G103 PolarHBondContact O-N 3.39Å; F100-D104 PolarHBondContact O-N 3.42Å
101	F	89	Confident	87.1	Confident	6 Å²	6	38.4 Å²	38.4	3%	0.026	21%	0.213	C	C	.	.	H	α-helix	trans	-70.5	-34.4	179.9	-66	-44.8	0	0	0	114.1	L64 I65 I97 S98 F99 G103 D104 V105 V130 R168	L64-F101 HydrophobicContact CB-CE1 4.18Å; L64-F101 HydrophobicContact CB-CZ 3.78Å; I65-F101 HydrophobicContact CB-CZ 4.41Å; I65-F101 HydrophobicContact CD1-CE1 4.38Å; I65-F101 HydrophobicContact CD1-CZ 4.36Å; I65-F101 HydrophobicContact CG1-CE1 3.86Å; I65-F101 HydrophobicContact CG1-CE2 4.17Å; I65-F101 HydrophobicContact CG1-CZ 3.39Å; I97-F101 HydrophobicContact CG2-CD2 3.75Å; I97-F101 HydrophobicContact CG2-CE2 3.19Å; I97-F101 HydrophobicContact CG2-CZ 3.84Å; I97-F101 VanDerWaalsContact O-CD2 3.22Å; I97-F101 WeakPolarHBondContact O-CD2 3.42Å; I97-F101 WeakPolarHBondContact O-CG 3.37Å; I97-F101 PolarHBondContact O-N 2.86Å; I97-F101 VanDerWaalsContact O-N 3.1Å; S98-F101 PolarHBondContact O-N 2.83Å; F99-F101 VanDerWaalsContact C-N 3.28Å; F99-F101 PolarHBondContact O-N 2.85Å; F101-G103 VanDerWaalsContact C-N 3.31Å; F101-D104 PolarHBondContact O-N 3Å; F101-V105 WeakPolarHBondContact O-CG2 3.23Å; F101-V105 PolarHBondContact O-N 2.76Å; F101-V130 HydrophobicContact CB-CG1 4.1Å; F101-V130 HydrophobicContact CB-CG2 4.12Å; F101-R168 VanDerWaalsContact CD1-NH2 3.31Å
102	L	91.4	Very high	87.2	Confident	44 Å²	44	40.5 Å²	40.5	23%	0.23	22%	0.223	C	C	.	.	H	α-helix	trans	-59.6	-46.5	169.3	-178.9	65	0	0	0	110.3	S98 F99 D104 V105 L106 V130 L134	S98-L102 PolarHBondContact O-N 3.12Å; F99-L102 PolarHBondContact O-N 3.35Å; L102-D104 PolarHBondContact O-N 2.92Å; L102-V105 PolarHBondContact O-N 3.1Å; L102-L106 HydrophobicContact CD1-CD1 4.43Å; L102-L106 HydrophobicContact CD1-CG 4.48Å; L102-L106 HydrophobicContact CG-CD1 4.12Å; L102-L106 VanDerWaalsContact O-CG 3.3Å; L102-L106 WeakPolarHBondContact O-CG 3.2Å; L102-L106 PolarHBondContact O-N 3.43Å; L102-V130 HydrophobicContact CB-CG1 4.14Å; L102-V130 HydrophobicContact CD1-CG1 4.43Å; L102-L134 HydrophobicContact CB-CD2 4.4Å; L102-L134 HydrophobicContact CD2-CD2 3.51Å; L102-L134 HydrophobicContact CG-CD2 4.38Å
103	G	90.9	Very high	87.1	Confident	35 Å²	35	38.7 Å²	38.7	36%	0.361	21%	0.209	S	C	.	.	H	α-helix	trans	-56.4	-48.5	174.3	0	0	0	0	0	112.7	F99 F100 F101 V105 L106 L107	F99-G103 PolarHBondContact O-N 3.31Å; F100-G103 PolarHBondContact O-N 3.39Å; F101-G103 VanDerWaalsContact C-N 3.31Å; G103-V105 PolarHBondContact O-N 3.11Å; G103-L106 PolarHBondContact O-N 3.22Å; G103-L107 VanDerWaalsContact O-CB 3.24Å; G103-L107 WeakPolarHBondContact O-CB 3.43Å; G103-L107 PolarHBondContact O-N 3.01Å
104	D	88.6	Confident	86.9	Confident	5 Å²	5	42.7 Å²	42.7	3%	0.027	22%	0.222	C	C	.	.	H	α-helix	trans	-58.2	-45	177.2	173.7	48.8	0	0	0	112.3	F57 F100 F101 L102 L107 R108 R168	F57-D104 VanDerWaalsContact CE1-OD1 3.29Å; F57-D104 WeakPolarHBondContact CE1-OD1 3.29Å; F57-D104 HydrophobicContact CZ-CB 4.32Å; F100-D104 PolarHBondContact O-N 3.42Å; F101-D104 PolarHBondContact O-N 3Å; L102-D104 PolarHBondContact O-N 2.92Å; D104-L107 PolarHBondContact O-N 3.01Å; D104-R108 VanDerWaalsContact CG-NH2 3.31Å; D104-R108 VanDerWaalsContact O-CG 3.29Å; D104-R108 WeakPolarHBondContact O-CG 3.37Å; D104-R108 PolarHBondContact O-N 3.43Å; D104-R108 IonicContact OD1-CZ 3.27Å; D104-R108 VanDerWaalsContact OD1-CZ 3.26Å; D104-R108 IonicContact OD1-NE 2.67Å; D104-R108 PolarHBondContact OD1-NE 2.99Å; D104-R108 IonicContact OD1-NH2 3.92Å; D104-R108 PolarHBondContact OD1-NH2 3.33Å; D104-R108 IonicContact OD2-CZ 2.86Å; D104-R108 IonicContact OD2-NE 3.76Å; D104-R108 PolarHBondContact OD2-NE 3.14Å; D104-R108 IonicContact OD2-NH1 3.98Å; D104-R108 IonicContact OD2-NH2 3.51Å; D104-R108 PolarHBondContact OD2-NH2 2.79Å; D104-R168 IonicContact OD2-NH2 3.98Å
105	V	88.3	Confident	86.8	Confident	10 Å²	10	51.5 Å²	51.5	6%	0.061	26%	0.26	C	S	.	.	H	α-helix	trans	-62.8	-47.7	176.5	169.5	0	0	0	0	111.3	F101 L102 G103 L107 R108 V109 Y117 D126 A127 V130	F101-V105 WeakPolarHBondContact O-CG2 3.23Å; F101-V105 PolarHBondContact O-N 2.76Å; L102-V105 PolarHBondContact O-N 3.1Å; G103-V105 PolarHBondContact O-N 3.11Å; V105-L107 VanDerWaalsContact C-N 3.31Å; V105-L107 PolarHBondContact O-N 3.13Å; V105-R108 PolarHBondContact O-N 3.43Å; V105-V109 HydrophobicContact CG1-CG2 4.38Å; V105-V109 WeakPolarHBondContact O-CG2 3.05Å; V105-V109 PolarHBondContact O-N 2.78Å; V105-Y117 HydrophobicContact CG1-CE1 4.5Å; V105-D126 WeakPolarHBondContact CG2-OD2 3.49Å; V105-A127 HydrophobicContact CG1-CB 4.04Å; V105-V130 HydrophobicContact CG2-CB 4.23Å; V105-V130 HydrophobicContact CG2-CG1 4.3Å; V105-V130 HydrophobicContact CG2-CG2 3.88Å
106	L	90.6	Very high	86.4	Confident	106 Å²	106	54 Å²	54	56%	0.555	28%	0.277	S	S	*	.	H	α-helix	trans	-61.2	-41.9	179.5	-69.9	174	0	0	0	111.7	L102 G103 R108 V109 Y110	L102-L106 HydrophobicContact CD1-CD1 4.43Å; L102-L106 HydrophobicContact CD1-CG 4.48Å; L102-L106 HydrophobicContact CG-CD1 4.12Å; L102-L106 VanDerWaalsContact O-CG 3.3Å; L102-L106 WeakPolarHBondContact O-CG 3.2Å; L102-L106 PolarHBondContact O-N 3.43Å; G103-L106 PolarHBondContact O-N 3.22Å; L106-R108 VanDerWaalsContact C-N 3.33Å; L106-R108 PolarHBondContact O-N 2.83Å; L106-V109 PolarHBondContact O-N 3.01Å; L106-Y110 WeakPolarHBondContact O-CB 3.26Å; L106-Y110 PolarHBondContact O-N 2.88Å
107	L	88.2	Confident	86.1	Confident	48 Å²	48	49.5 Å²	49.5	25%	0.251	25%	0.249	S	C	.	.	H	α-helix	trans	-66.2	-36.5	179.1	-157.9	64.4	0	0	0	111.5	I48 V52 F57 G103 D104 V105 Y110 V111	I48-L107 HydrophobicContact CG2-CD1 3.64Å; I48-L107 HydrophobicContact CG2-CD2 4.41Å; I48-L107 HydrophobicContact CG2-CG 3.98Å; V52-L107 HydrophobicContact CB-CD2 4.49Å; V52-L107 HydrophobicContact CG2-CB 4.45Å; V52-L107 HydrophobicContact CG2-CD1 4.48Å; V52-L107 HydrophobicContact CG2-CD2 3.36Å; V52-L107 HydrophobicContact CG2-CG 3.47Å; V52-L107 VanDerWaalsContact CG2-CG 3.47Å; F57-L107 HydrophobicContact CZ-CD2 4.44Å; G103-L107 VanDerWaalsContact O-CB 3.24Å; G103-L107 WeakPolarHBondContact O-CB 3.43Å; G103-L107 PolarHBondContact O-N 3.01Å; D104-L107 PolarHBondContact O-N 3.01Å; V105-L107 VanDerWaalsContact C-N 3.31Å; V105-L107 PolarHBondContact O-N 3.13Å; L107-Y110 PolarHBondContact O-N 2.86Å; L107-V111 WeakPolarHBondContact O-CB 3.49Å; L107-V111 WeakPolarHBondContact O-CG2 3.26Å; L107-V111 PolarHBondContact O-N 2.92Å
108	R	83.9	Confident	86	Confident	14 Å²	14	52.4 Å²	52.4	5%	0.053	26%	0.262	C	S	.	.	H	α-helix	trans	-69.5	-41.6	172.5	-71.1	175.7	-162.8	-164.5	2.3	112.8	V52 R58 D104 V105 L106 Y110 V111 E112 Y117	V52-R108 HydrophobicContact CG1-CG 3.94Å; R58-R108 VanDerWaalsContact NH1-NH1 3.19Å; R58-R108 VanDerWaalsContact NH1-NH2 3.2Å; D104-R108 VanDerWaalsContact CG-NH2 3.31Å; D104-R108 VanDerWaalsContact O-CG 3.29Å; D104-R108 WeakPolarHBondContact O-CG 3.37Å; D104-R108 PolarHBondContact O-N 3.43Å; D104-R108 IonicContact OD1-CZ 3.27Å; D104-R108 VanDerWaalsContact OD1-CZ 3.26Å; D104-R108 IonicContact OD1-NE 2.67Å; D104-R108 PolarHBondContact OD1-NE 2.99Å; D104-R108 IonicContact OD1-NH2 3.92Å; D104-R108 PolarHBondContact OD1-NH2 3.33Å; D104-R108 IonicContact OD2-CZ 2.86Å; D104-R108 IonicContact OD2-NE 3.76Å; D104-R108 PolarHBondContact OD2-NE 3.14Å; D104-R108 IonicContact OD2-NH1 3.98Å; D104-R108 IonicContact OD2-NH2 3.51Å; D104-R108 PolarHBondContact OD2-NH2 2.79Å; V105-R108 PolarHBondContact O-N 3.43Å; L106-R108 VanDerWaalsContact C-N 3.33Å; L106-R108 PolarHBondContact O-N 2.83Å; R108-Y110 PolarHBondContact O-N 2.75Å; R108-V111 PolarHBondContact O-N 3.46Å; R108-E112 VanDerWaalsContact O-CB 3.31Å; R108-E112 WeakPolarHBondContact O-CB 3.49Å; R108-E112 PolarHBondContact O-N 2.89Å; R108-Y117 HydrophobicContact CB-CD2 4.13Å; R108-Y117 HydrophobicContact CB-CE2 3.67Å
109	V	87.6	Confident	85.9	Confident	24 Å²	24	56.5 Å²	56.5	15%	0.145	29%	0.291	C	S	.	.	H	α-helix	trans	-58.6	-40	173.6	171.8	0	0	0	0	110.3	V105 L106 G113 F114 Y117 F118	V105-V109 HydrophobicContact CG1-CG2 4.38Å; V105-V109 WeakPolarHBondContact O-CG2 3.05Å; V105-V109 PolarHBondContact O-N 2.78Å; L106-V109 PolarHBondContact O-N 3.01Å; V109-G113 CarbonylContact O-C 3.34Å; V109-G113 VanDerWaalsContact O-CA 3.22Å; V109-G113 WeakPolarHBondContact O-CA 3.31Å; V109-G113 PolarHBondContact O-N 2.79Å; V109-F114 HydrophobicContact CG1-CB 4.42Å; V109-F114 HydrophobicContact CG1-CD2 3.91Å; V109-Y117 HydrophobicContact CB-CG 4.49Å; V109-Y117 HydrophobicContact CG2-CD1 3.48Å; V109-Y117 VanDerWaalsContact CG2-CD1 3.48Å; V109-Y117 HydrophobicContact CG2-CD2 4.1Å; V109-Y117 HydrophobicContact CG2-CE1 3.67Å; V109-Y117 HydrophobicContact CG2-CE2 4.28Å; V109-Y117 HydrophobicContact CG2-CG 3.71Å; V109-F118 HydrophobicContact CG1-CE2 4.26Å; V109-F118 HydrophobicContact CG2-CE2 3.99Å; V109-F118 HydrophobicContact CG2-CZ 4.18Å
110	Y	84.7	Confident	85.3	Confident	78 Å²	78	53.7 Å²	53.7	31%	0.306	28%	0.284	S	S	.	.	H	α-helix	trans	-66.2	-44.1	176	-176.5	-96.2	0	0	0	112.9	Y41 I44 R45 I48 L106 L107 R108	Y41-Y110 HydrophobicContact CD2-CE2 4.11Å; Y41-Y110 HydrophobicContact CE2-CD2 4.32Å; Y41-Y110 AromaticContact CE2-CE2 3.7Å; Y41-Y110 HydrophobicContact CE2-CE2 3.7Å; Y41-Y110 AromaticContact CE2-CZ 3.84Å; Y41-Y110 PolarHBondContact OH-O 3.14Å; I44-Y110 HydrophobicContact CG2-CE1 4.18Å; I44-Y110 WeakPolarHBondContact CG2-OH 3.19Å; R45-Y110 HydrophobicContact CB-CE1 4.5Å; I48-Y110 HydrophobicContact CD1-CD1 4.47Å; I48-Y110 HydrophobicContact CD1-CE1 4.08Å; L106-Y110 WeakPolarHBondContact O-CB 3.26Å; L106-Y110 PolarHBondContact O-N 2.88Å; L107-Y110 PolarHBondContact O-N 2.86Å; R108-Y110 PolarHBondContact O-N 2.75Å
111	V	80	Confident	84.8	Confident	10 Å²	10	59.8 Å²	59.8	6%	0.061	31%	0.31	C	S	.	.	H	α-helix	trans	-75.9	-43.7	-178	166.3	0	0	0	0	113.2	R45 I48 T49 V52 L107 R108	R45-V111 PolarHBondContact NE-O 2.62Å; R45-V111 PolarHBondContact NH2-O 2.99Å; I48-V111 HydrophobicContact CG2-CG2 3.86Å; T49-V111 HydrophobicContact CG2-CG1 3.86Å; T49-V111 WeakPolarHBondContact OG1-CG1 3.43Å; V52-V111 HydrophobicContact CG2-CG2 3.98Å; L107-V111 WeakPolarHBondContact O-CB 3.49Å; L107-V111 WeakPolarHBondContact O-CG2 3.26Å; L107-V111 PolarHBondContact O-N 2.92Å; R108-V111 PolarHBondContact O-N 3.46Å
112	E	78.3	Confident	84.3	Confident	54 Å²	54	62.5 Å²	62.5	25%	0.252	32%	0.324	S	S	.	.	H	α-helix	trans	-79.7	-26.5	-179.8	-65.4	177.2	-154.6	0	0	111.3	R108 V116 Y117 N123	R108-E112 VanDerWaalsContact O-CB 3.31Å; R108-E112 WeakPolarHBondContact O-CB 3.49Å; R108-E112 PolarHBondContact O-N 2.89Å; E112-V116 WeakPolarHBondContact O-CB 3.14Å; E112-Y117 HydrophobicContact CB-CD2 4.4Å; E112-Y117 VanDerWaalsContact OE2-CD2 3.3Å; E112-Y117 WeakPolarHBondContact OE2-CD2 3.5Å; E112-N123 PolarHBondContact OE2-ND2 2.78Å
113	G	80.7	Confident	83.8	Confident	16 Å²	16	61.1 Å²	61.1	17%	0.165	32%	0.317	C	S	.	.			trans	90.1	139.3	-174.1	0	0	0	0	0	111.5	V109 K115 V116 Y117	V109-G113 CarbonylContact O-C 3.34Å; V109-G113 VanDerWaalsContact O-CA 3.22Å; V109-G113 WeakPolarHBondContact O-CA 3.31Å; V109-G113 PolarHBondContact O-N 2.79Å; G113-K115 PolarHBondContact O-N 2.74Å; G113-V116 PolarHBondContact O-N 3.29Å; G113-V116 VanDerWaalsContact O-N 3.15Å; G113-Y117 WeakPolarHBondContact O-CB 3.29Å; G113-Y117 PolarHBondContact O-N 2.82Å
114	F	83.9	Confident	83.6	Confident	143 Å²	143	62.9 Å²	62.9	63%	0.627	32%	0.318	S	S	*	.	H	α-helix	trans	-53.3	-51.5	-170.2	-172.4	-88.9	0	0	0	113.6	V109 V116 Y117 F118	V109-F114 HydrophobicContact CG1-CB 4.42Å; V109-F114 HydrophobicContact CG1-CD2 3.91Å; F114-V116 PolarHBondContact O-N 3.21Å; F114-Y117 PolarHBondContact O-N 2.84Å; F114-F118 HydrophobicContact CD1-CD2 4.19Å; F114-F118 AromaticContact CD2-CD2 3.91Å; F114-F118 HydrophobicContact CD2-CD2 3.91Å; F114-F118 AromaticContact CD2-CE2 3.71Å; F114-F118 HydrophobicContact CD2-CE2 3.71Å; F114-F118 HydrophobicContact CE1-CD2 4.07Å; F114-F118 AromaticContact CE2-CD2 3.79Å; F114-F118 HydrophobicContact CE2-CD2 3.79Å; F114-F118 AromaticContact CE2-CE2 3.45Å; F114-F118 HydrophobicContact CE2-CE2 3.45Å; F114-F118 VanDerWaalsContact CE2-CE2 3.45Å; F114-F118 HydrophobicContact CE2-CZ 4.47Å; F114-F118 HydrophobicContact CG-CD2 4.11Å; F114-F118 HydrophobicContact CG-CE2 4.37Å; F114-F118 AromaticContact CZ-CD2 3.87Å; F114-F118 HydrophobicContact CZ-CD2 3.87Å; F114-F118 AromaticContact CZ-CE2 3.92Å; F114-F118 HydrophobicContact CZ-CE2 3.92Å; F114-F118 VanDerWaalsContact O-CD2 3.29Å; F114-F118 WeakPolarHBondContact O-CD2 3.33Å; F114-F118 PolarHBondContact O-N 2.78Å; F114-F118 VanDerWaalsContact O-N 3.16Å
115	K	81.8	Confident	83.3	Confident	186 Å²	186	66 Å²	66	81%	0.809	33%	0.333	S	S	*	.	H	α-helix	trans	-63.4	-39.6	-178.9	-69.7	-176.2	178.4	179.2	0	112.7	G113 S119	G113-K115 PolarHBondContact O-N 2.74Å; K115-S119 PolarHBondContact O-N 2.83Å
116	V	78.8	Confident	83.1	Confident	92 Å²	92	65.7 Å²	65.7	56%	0.558	33%	0.331	S	S	*	.	H	α-helix	trans	-71.5	-47.3	-178.6	178.8	0	0	0	0	110	E112 G113 F114 F118 S119	E112-V116 WeakPolarHBondContact O-CB 3.14Å; G113-V116 PolarHBondContact O-N 3.29Å; G113-V116 VanDerWaalsContact O-N 3.15Å; F114-V116 PolarHBondContact O-N 3.21Å; V116-F118 PolarHBondContact O-N 2.94Å; V116-S119 WeakPolarHBondContact O-CB 3.39Å; V116-S119 PolarHBondContact O-N 2.87Å; V116-S119 VanDerWaalsContact O-N 3.14Å; V116-S119 PolarHBondContact O-OG 2.92Å
117	Y	82.5	Confident	82.9	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-56.6	-49.1	-179.9	-174.8	-89.8	0	0	0	111.6	V105 R108 V109 E112 G113 F114 S119 S120 N123 A127 R171	V105-Y117 HydrophobicContact CG1-CE1 4.5Å; R108-Y117 HydrophobicContact CB-CD2 4.13Å; R108-Y117 HydrophobicContact CB-CE2 3.67Å; V109-Y117 HydrophobicContact CB-CG 4.49Å; V109-Y117 HydrophobicContact CG2-CD1 3.48Å; V109-Y117 VanDerWaalsContact CG2-CD1 3.48Å; V109-Y117 HydrophobicContact CG2-CD2 4.1Å; V109-Y117 HydrophobicContact CG2-CE1 3.67Å; V109-Y117 HydrophobicContact CG2-CE2 4.28Å; V109-Y117 HydrophobicContact CG2-CG 3.71Å; E112-Y117 HydrophobicContact CB-CD2 4.4Å; E112-Y117 VanDerWaalsContact OE2-CD2 3.3Å; E112-Y117 WeakPolarHBondContact OE2-CD2 3.5Å; G113-Y117 WeakPolarHBondContact O-CB 3.29Å; G113-Y117 PolarHBondContact O-N 2.82Å; F114-Y117 PolarHBondContact O-N 2.84Å; Y117-S119 VanDerWaalsContact C-N 3.28Å; Y117-S119 PolarHBondContact O-N 2.99Å; Y117-S120 PolarHBondContact O-N 3.25Å; Y117-N123 HydrophobicContact CD1-CB 4.05Å; Y117-N123 HydrophobicContact CD2-CB 4.47Å; Y117-N123 HydrophobicContact CE1-CB 3.77Å; Y117-N123 HydrophobicContact CE2-CB 4.21Å; Y117-N123 HydrophobicContact CG-CB 4.4Å; Y117-N123 WeakPolarHBondContact O-CB 3.25Å; Y117-N123 PolarHBondContact O-ND2 3.1Å; Y117-N123 VanDerWaalsContact O-ND2 3.08Å; Y117-A127 HydrophobicContact CE1-CB 4.45Å; Y117-R171 PolarHBondContact OH-NH2 3.18Å
118	F	87.1	Confident	82.8	Confident	70 Å²	70	62.2 Å²	62.2	31%	0.307	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	4.1	-178.2	-69.7	-70.6	0	0	0	114.3	V109 F114 V116 S120 I124 A127	V109-F118 HydrophobicContact CG1-CE2 4.26Å; V109-F118 HydrophobicContact CG2-CE2 3.99Å; V109-F118 HydrophobicContact CG2-CZ 4.18Å; F114-F118 HydrophobicContact CD1-CD2 4.19Å; F114-F118 AromaticContact CD2-CD2 3.91Å; F114-F118 HydrophobicContact CD2-CD2 3.91Å; F114-F118 AromaticContact CD2-CE2 3.71Å; F114-F118 HydrophobicContact CD2-CE2 3.71Å; F114-F118 HydrophobicContact CE1-CD2 4.07Å; F114-F118 AromaticContact CE2-CD2 3.79Å; F114-F118 HydrophobicContact CE2-CD2 3.79Å; F114-F118 AromaticContact CE2-CE2 3.45Å; F114-F118 HydrophobicContact CE2-CE2 3.45Å; F114-F118 VanDerWaalsContact CE2-CE2 3.45Å; F114-F118 HydrophobicContact CE2-CZ 4.47Å; F114-F118 HydrophobicContact CG-CD2 4.11Å; F114-F118 HydrophobicContact CG-CE2 4.37Å; F114-F118 AromaticContact CZ-CD2 3.87Å; F114-F118 HydrophobicContact CZ-CD2 3.87Å; F114-F118 AromaticContact CZ-CE2 3.92Å; F114-F118 HydrophobicContact CZ-CE2 3.92Å; F114-F118 VanDerWaalsContact O-CD2 3.29Å; F114-F118 WeakPolarHBondContact O-CD2 3.33Å; F114-F118 PolarHBondContact O-N 2.78Å; F114-F118 VanDerWaalsContact O-N 3.16Å; V116-F118 PolarHBondContact O-N 2.94Å; F118-S120 VanDerWaalsContact C-N 3.31Å; F118-I124 HydrophobicContact CB-CG1 4.46Å; F118-I124 HydrophobicContact CD1-CG1 3.94Å; F118-I124 WeakPolarHBondContact O-CD1 3.49Å; F118-A127 HydrophobicContact CE1-CB 4.16Å
119	S	83.5	Confident	82.8	Confident	90 Å²	90	61.9 Å²	61.9	63%	0.629	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-24.4	167.8	73	0	0	0	0	112.4	K115 V116 Y117	K115-S119 PolarHBondContact O-N 2.83Å; V116-S119 WeakPolarHBondContact O-CB 3.39Å; V116-S119 PolarHBondContact O-N 2.87Å; V116-S119 VanDerWaalsContact O-N 3.14Å; V116-S119 PolarHBondContact O-OG 2.92Å; Y117-S119 VanDerWaalsContact C-N 3.28Å; Y117-S119 PolarHBondContact O-N 2.99Å
120	S	79.1	Confident	82.7	Confident	42 Å²	42	60.8 Å²	60.8	29%	0.294	31%	0.312	S	S	.	.	S	Bend	trans	-88.4	120.5	-179.5	171.5	0	0	0	0	111.5	Y117 F118 L122 N123 I124	Y117-S120 PolarHBondContact O-N 3.25Å; F118-S120 VanDerWaalsContact C-N 3.31Å; S120-L122 PolarHBondContact O-N 3.34Å; S120-N123 WeakPolarHBondContact O-CB 3.3Å; S120-N123 PolarHBondContact O-N 2.88Å; S120-I124 WeakPolarHBondContact O-CG1 3.42Å; S120-I124 PolarHBondContact O-N 2.63Å; S120-I124 VanDerWaalsContact O-N 3.07Å
121	K	82.6	Confident	82.9	Confident	182 Å²	182	60.4 Å²	60.4	79%	0.791	32%	0.318	S	S	*	.	H	α-helix	trans	-54	-36.7	175.9	-66.8	-175	179.5	-179	0	112.8	M125	K121-M125 WeakPolarHBondContact O-CB 3.21Å; K121-M125 PolarHBondContact O-N 2.93Å
122	L	77.8	Confident	82.9	Confident	63 Å²	63	62.9 Å²	62.9	33%	0.33	34%	0.336	S	S	.	.	H	α-helix	trans	-72.4	-33	179.3	-65.3	178.7	0	0	0	112.7	S120 M125 D126 S174	S120-L122 PolarHBondContact O-N 3.34Å; L122-M125 HydrophobicContact CD2-CE 3.61Å; L122-D126 WeakPolarHBondContact O-CB 3.33Å; L122-D126 PolarHBondContact O-N 3.44Å; L122-S174 VanDerWaalsContact CD1-OG 3.25Å; L122-S174 WeakPolarHBondContact CD1-OG 3.45Å
123	N	82	Confident	83	Confident	16 Å²	16	60.9 Å²	60.9	9%	0.086	33%	0.327	C	S	.	.	H	α-helix	trans	-71.6	-40.8	176	-80.4	-12	0	0	0	111.8	E112 Y117 S120 D126 A127 R171	E112-N123 PolarHBondContact OE2-ND2 2.78Å; Y117-N123 HydrophobicContact CD1-CB 4.05Å; Y117-N123 HydrophobicContact CD2-CB 4.47Å; Y117-N123 HydrophobicContact CE1-CB 3.77Å; Y117-N123 HydrophobicContact CE2-CB 4.21Å; Y117-N123 HydrophobicContact CG-CB 4.4Å; Y117-N123 WeakPolarHBondContact O-CB 3.25Å; Y117-N123 PolarHBondContact O-ND2 3.1Å; Y117-N123 VanDerWaalsContact O-ND2 3.08Å; S120-N123 WeakPolarHBondContact O-CB 3.3Å; S120-N123 PolarHBondContact O-N 2.88Å; N123-D126 PolarHBondContact O-N 2.79Å; N123-A127 WeakPolarHBondContact O-CB 3.31Å; N123-A127 PolarHBondContact O-N 3.37Å; N123-R171 PolarHBondContact OD1-NE 2.89Å; N123-R171 PolarHBondContact OD1-NH2 3.28Å
124	I	86.1	Confident	83.2	Confident	71 Å²	71	60.9 Å²	60.9	36%	0.364	32%	0.323	S	S	.	.	H	α-helix	trans	-57.2	-53.3	171.6	-62.9	165.4	0	0	0	109	F118 S120 D126 A127 C128	F118-I124 HydrophobicContact CB-CG1 4.46Å; F118-I124 HydrophobicContact CD1-CG1 3.94Å; F118-I124 WeakPolarHBondContact O-CD1 3.49Å; S120-I124 WeakPolarHBondContact O-CG1 3.42Å; S120-I124 PolarHBondContact O-N 2.63Å; S120-I124 VanDerWaalsContact O-N 3.07Å; I124-D126 PolarHBondContact O-N 3.15Å; I124-A127 PolarHBondContact O-N 3.09Å; I124-C128 PolarHBondContact O-N 2.8Å; I124-C128 PolarHBondContact O-SG 2.99Å; I124-C128 VanDerWaalsContact O-SG 3.33Å
125	M	82.5	Confident	83.3	Confident	72 Å²	72	58.6 Å²	58.6	36%	0.355	32%	0.317	S	S	.	.	H	α-helix	trans	-57	-48.8	-178.8	-175.7	180	61.2	0	0	111.5	K121 L122 A127 C128 V129 V167	K121-M125 WeakPolarHBondContact O-CB 3.21Å; K121-M125 PolarHBondContact O-N 2.93Å; L122-M125 HydrophobicContact CD2-CE 3.61Å; M125-A127 PolarHBondContact O-N 3.23Å; M125-C128 WeakPolarHBondContact O-CB 3.38Å; M125-C128 PolarHBondContact O-N 3.19Å; M125-V129 WeakPolarHBondContact O-CG2 3.4Å; M125-V129 PolarHBondContact O-N 3.45Å; M125-V167 HydrophobicContact CE-CG1 3.29Å; M125-V167 HydrophobicContact CG-CG1 3.86Å; M125-V167 HydrophobicContact SD-CG1 3.51Å; M125-V167 VanDerWaalsContact SD-CG1 3.51Å
126	D	82.6	Confident	83	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-62.4	-40.7	178.2	177.4	95.7	0	0	0	113.4	V105 L122 N123 I124 C128 V129 V130 R168 R171	V105-D126 WeakPolarHBondContact CG2-OD2 3.49Å; L122-D126 WeakPolarHBondContact O-CB 3.33Å; L122-D126 PolarHBondContact O-N 3.44Å; N123-D126 PolarHBondContact O-N 2.79Å; I124-D126 PolarHBondContact O-N 3.15Å; D126-C128 VanDerWaalsContact C-N 3.31Å; D126-C128 PolarHBondContact O-N 3.13Å; D126-V129 PolarHBondContact O-N 3.01Å; D126-V130 WeakPolarHBondContact O-CG2 3.32Å; D126-V130 PolarHBondContact O-N 3.41Å; D126-R168 WeakPolarHBondContact OD1-CG 3.28Å; D126-R168 IonicContact OD1-CZ 2.79Å; D126-R168 IonicContact OD1-NE 3.73Å; D126-R168 PolarHBondContact OD1-NE 2.86Å; D126-R171 HydrophobicContact CB-CG 4.28Å; D126-R171 VanDerWaalsContact CG-CD 3.49Å; D126-R171 WeakPolarHBondContact OD1-CD 3.1Å; D126-R171 IonicContact OD1-NH1 2.97Å; D126-R171 IonicContact OD2-CZ 3.31Å; D126-R171 IonicContact OD2-NE 2.64Å; D126-R171 IonicContact OD2-NH1 3.22Å; D126-R171 PolarHBondContact OD2-NH1 2.85Å
127	A	87.3	Confident	82.9	Confident	11 Å²	11	46.5 Å²	46.5	9%	0.091	26%	0.258	C	S	.	.	H	α-helix	trans	-60.9	-42.8	175.2	0	0	0	0	0	111.2	V105 Y117 F118 N123 I124 M125 V129 V130 V131	V105-A127 HydrophobicContact CG1-CB 4.04Å; Y117-A127 HydrophobicContact CE1-CB 4.45Å; F118-A127 HydrophobicContact CE1-CB 4.16Å; N123-A127 WeakPolarHBondContact O-CB 3.31Å; N123-A127 PolarHBondContact O-N 3.37Å; I124-A127 PolarHBondContact O-N 3.09Å; M125-A127 PolarHBondContact O-N 3.23Å; A127-V129 VanDerWaalsContact C-N 3.35Å; A127-V129 PolarHBondContact O-N 3.13Å; A127-V130 PolarHBondContact O-N 3.12Å; A127-V131 WeakPolarHBondContact O-CG2 3.26Å; A127-V131 PolarHBondContact O-N 2.65Å
128	C	86.4	Confident	82.9	Confident	70 Å²	70	49.7 Å²	49.7	47%	0.473	27%	0.274	S	S	.	.	H	α-helix	trans	-61.3	-42.7	174	-67.1	0	0	0	0	111.9	I124 M125 D126 S132	I124-C128 PolarHBondContact O-N 2.8Å; I124-C128 PolarHBondContact O-SG 2.99Å; I124-C128 VanDerWaalsContact O-SG 3.33Å; M125-C128 WeakPolarHBondContact O-CB 3.38Å; M125-C128 PolarHBondContact O-N 3.19Å; D126-C128 VanDerWaalsContact C-N 3.31Å; D126-C128 PolarHBondContact O-N 3.13Å; C128-S132 VanDerWaalsContact O-CB 3.23Å; C128-S132 WeakPolarHBondContact O-CB 3.37Å; C128-S132 PolarHBondContact O-N 2.99Å; C128-S132 PolarHBondContact O-OG 2.9Å
129	V	83.4	Confident	82.4	Confident	7 Å²	7	49.1 Å²	49.1	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-59.9	-51.7	176.2	173.5	0	0	0	0	110.5	M125 D126 A127 V131 S132 T133 I164 V167 R168	M125-V129 WeakPolarHBondContact O-CG2 3.4Å; M125-V129 PolarHBondContact O-N 3.45Å; D126-V129 PolarHBondContact O-N 3.01Å; A127-V129 VanDerWaalsContact C-N 3.35Å; A127-V129 PolarHBondContact O-N 3.13Å; V129-V131 PolarHBondContact O-N 3.23Å; V129-S132 PolarHBondContact O-N 3.15Å; V129-T133 HydrophobicContact CG1-CG2 4.06Å; V129-T133 WeakPolarHBondContact O-CB 3.22Å; V129-T133 VanDerWaalsContact O-CG2 3.31Å; V129-T133 WeakPolarHBondContact O-CG2 3.5Å; V129-T133 PolarHBondContact O-N 3.48Å; V129-T133 PolarHBondContact O-OG1 3.47Å; V129-I164 HydrophobicContact CB-CG2 4.17Å; V129-I164 HydrophobicContact CG1-CG2 3.83Å; V129-I164 HydrophobicContact CG2-CG2 3.4Å; V129-I164 VanDerWaalsContact CG2-CG2 3.4Å; V129-V167 HydrophobicContact CG2-CB 4.17Å; V129-V167 HydrophobicContact CG2-CG1 4.14Å; V129-R168 HydrophobicContact CG1-CG 4.05Å
130	V	86.3	Confident	81.8	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.006	25%	0.25	C	S	.	.	H	α-helix	trans	-59.4	-44.9	-177.8	169.3	0	0	0	0	112.1	F101 L102 V105 D126 A127 T133 L134	F101-V130 HydrophobicContact CB-CG1 4.1Å; F101-V130 HydrophobicContact CB-CG2 4.12Å; L102-V130 HydrophobicContact CB-CG1 4.14Å; L102-V130 HydrophobicContact CD1-CG1 4.43Å; V105-V130 HydrophobicContact CG2-CB 4.23Å; V105-V130 HydrophobicContact CG2-CG1 4.3Å; V105-V130 HydrophobicContact CG2-CG2 3.88Å; D126-V130 WeakPolarHBondContact O-CG2 3.32Å; D126-V130 PolarHBondContact O-N 3.41Å; A127-V130 PolarHBondContact O-N 3.12Å; V130-T133 WeakPolarHBondContact CA-OG1 3.46Å; V130-T133 PolarHBondContact O-OG1 3.38Å; V130-L134 WeakPolarHBondContact O-CB 3.4Å; V130-L134 PolarHBondContact O-N 3.07Å
131	V	88	Confident	81.4	Confident	69 Å²	69	44.9 Å²	44.9	42%	0.418	24%	0.243	S	C	.	.	H	α-helix	trans	-65.7	-45.5	177.7	172.9	0	0	0	0	110.7	A127 V129 T133 L134 I135	A127-V131 WeakPolarHBondContact O-CG2 3.26Å; A127-V131 PolarHBondContact O-N 2.65Å; V129-V131 PolarHBondContact O-N 3.23Å; V131-T133 PolarHBondContact O-N 2.62Å; V131-L134 PolarHBondContact O-N 2.84Å; V131-I135 HydrophobicContact CG1-CD1 3.84Å; V131-I135 VanDerWaalsContact O-CG1 3.3Å; V131-I135 WeakPolarHBondContact O-CG1 3.35Å; V131-I135 PolarHBondContact O-N 2.89Å
132	S	80.6	Confident	80.8	Confident	62 Å²	62	42.4 Å²	42.4	43%	0.434	23%	0.232	S	C	.	.	H	α-helix	trans	-63.4	-43.2	179.5	-55.9	0	0	0	0	111.5	C128 V129 I135 V136	C128-S132 VanDerWaalsContact O-CB 3.23Å; C128-S132 WeakPolarHBondContact O-CB 3.37Å; C128-S132 PolarHBondContact O-N 2.99Å; C128-S132 PolarHBondContact O-OG 2.9Å; V129-S132 PolarHBondContact O-N 3.15Å; S132-I135 PolarHBondContact O-N 2.89Å; S132-V136 VanDerWaalsContact O-CG2 3.27Å; S132-V136 WeakPolarHBondContact O-CG2 3.43Å; S132-V136 PolarHBondContact O-N 3.2Å
133	T	79.5	Confident	80.3	Confident	12 Å²	12	41.5 Å²	41.5	7%	0.074	23%	0.227	C	C	.	.	H	α-helix	trans	-64.6	-40.5	177.5	50.8	0	0	0	0	111.7	V129 V130 V131 V136 T137 I165	V129-T133 HydrophobicContact CG1-CG2 4.06Å; V129-T133 WeakPolarHBondContact O-CB 3.22Å; V129-T133 VanDerWaalsContact O-CG2 3.31Å; V129-T133 WeakPolarHBondContact O-CG2 3.5Å; V129-T133 PolarHBondContact O-N 3.48Å; V129-T133 PolarHBondContact O-OG1 3.47Å; V130-T133 WeakPolarHBondContact CA-OG1 3.46Å; V130-T133 PolarHBondContact O-OG1 3.38Å; V131-T133 PolarHBondContact O-N 2.62Å; T133-V136 PolarHBondContact O-N 3.08Å; T133-T137 WeakPolarHBondContact O-CB 3.43Å; T133-T137 PolarHBondContact O-N 3.32Å; T133-T137 PolarHBondContact O-OG1 3.49Å; T133-I165 HydrophobicContact CG2-CD1 4.3Å; T133-I165 HydrophobicContact CG2-CG1 3.73Å
134	L	86.3	Confident	79.3	Confident	16 Å²	16	44.8 Å²	44.8	8%	0.084	25%	0.245	C	C	.	.	H	α-helix	trans	-63.5	-45.7	176.8	178.2	64.1	0	0	0	111.3	L95 F99 L102 V130 V131 V136 T137 M138	L95-L134 HydrophobicContact CD1-CD1 4.22Å; F99-L134 HydrophobicContact CD1-CD1 4.13Å; F99-L134 HydrophobicContact CD1-CD2 4.47Å; F99-L134 HydrophobicContact CD2-CD1 4.37Å; F99-L134 HydrophobicContact CE1-CD1 3.99Å; F99-L134 HydrophobicContact CE1-CD2 4.27Å; F99-L134 HydrophobicContact CE2-CD1 4.25Å; F99-L134 HydrophobicContact CG-CD1 4.3Å; F99-L134 HydrophobicContact CZ-CD1 4.05Å; L102-L134 HydrophobicContact CB-CD2 4.4Å; L102-L134 HydrophobicContact CD2-CD2 3.51Å; L102-L134 HydrophobicContact CG-CD2 4.38Å; V130-L134 WeakPolarHBondContact O-CB 3.4Å; V130-L134 PolarHBondContact O-N 3.07Å; V131-L134 PolarHBondContact O-N 2.84Å; L134-V136 PolarHBondContact O-N 3.37Å; L134-T137 PolarHBondContact O-N 3.03Å; L134-M138 HydrophobicContact CD1-CG 4.15Å; L134-M138 HydrophobicContact CD1-SD 4.27Å; L134-M138 HydrophobicContact CG-CG 4.44Å; L134-M138 HydrophobicContact CG-SD 4.19Å; L134-M138 WeakPolarHBondContact O-CB 3.35Å; L134-M138 WeakPolarHBondContact O-CG 3.37Å; L134-M138 PolarHBondContact O-N 2.94Å
135	I	84.1	Confident	78	Confident	96 Å²	96	47.3 Å²	47.3	49%	0.492	26%	0.263	S	S	.	.	H	α-helix	trans	-59.7	-48.3	177.5	-68.1	167.2	0	0	0	110.1	V131 S132 T137 M138 V139	V131-I135 HydrophobicContact CG1-CD1 3.84Å; V131-I135 VanDerWaalsContact O-CG1 3.3Å; V131-I135 WeakPolarHBondContact O-CG1 3.35Å; V131-I135 PolarHBondContact O-N 2.89Å; S132-I135 PolarHBondContact O-N 2.89Å; I135-T137 VanDerWaalsContact C-N 3.33Å; I135-T137 PolarHBondContact O-N 3.16Å; I135-M138 PolarHBondContact O-N 2.6Å; I135-V139 HydrophobicContact CG2-CG2 4.28Å; I135-V139 WeakPolarHBondContact O-CB 3.15Å; I135-V139 WeakPolarHBondContact O-CG2 3.5Å; I135-V139 PolarHBondContact O-N 2.98Å
136	V	77.3	Confident	76.9	Confident	18 Å²	18	49 Å²	49	11%	0.109	28%	0.278	C	S	.	.	H	α-helix	trans	-59.3	-44.8	178.1	169.4	0	0	0	0	111.3	S132 T133 L134 Y140 L158 L161	S132-V136 VanDerWaalsContact O-CG2 3.27Å; S132-V136 WeakPolarHBondContact O-CG2 3.43Å; S132-V136 PolarHBondContact O-N 3.2Å; T133-V136 PolarHBondContact O-N 3.08Å; L134-V136 PolarHBondContact O-N 3.37Å; V136-Y140 WeakPolarHBondContact O-CB 3.47Å; V136-Y140 PolarHBondContact O-N 3.16Å; V136-Y140 VanDerWaalsContact O-N 3.08Å; V136-L158 HydrophobicContact CG1-CB 4.15Å; V136-L158 HydrophobicContact CG2-CD2 4.32Å; V136-L161 HydrophobicContact CG2-CD1 4.25Å
137	T	76.8	Confident	75.5	Confident	5 Å²	5	52 Å²	52	3%	0.031	31%	0.31	C	S	.	.	H	α-helix	trans	-66.7	-43.3	179.7	-58.5	0	0	0	0	111.8	L95 T133 L134 I135 Y140 T141	L95-T137 HydrophobicContact CB-CG2 3.97Å; L95-T137 HydrophobicContact CD1-CG2 3.96Å; T133-T137 WeakPolarHBondContact O-CB 3.43Å; T133-T137 PolarHBondContact O-N 3.32Å; T133-T137 PolarHBondContact O-OG1 3.49Å; L134-T137 PolarHBondContact O-N 3.03Å; I135-T137 VanDerWaalsContact C-N 3.33Å; I135-T137 PolarHBondContact O-N 3.16Å; T137-Y140 PolarHBondContact O-N 2.89Å; T137-T141 WeakPolarHBondContact O-CG2 3.43Å; T137-T141 PolarHBondContact O-N 2.68Å; T137-T141 PolarHBondContact O-OG1 2.7Å
138	M	81.9	Confident	73.8	Confident	67 Å²	67	53.6 Å²	53.6	33%	0.33	32%	0.323	S	S	.	.	H	α-helix	trans	-61.7	-48.9	175.6	-75.5	-175.5	72.9	0	0	111.6	L95 F99 L134 I135 Y140 T141 F142	L95-M138 HydrophobicContact CD1-CG 3.87Å; F99-M138 HydrophobicContact CZ-SD 4.4Å; L134-M138 HydrophobicContact CD1-CG 4.15Å; L134-M138 HydrophobicContact CD1-SD 4.27Å; L134-M138 HydrophobicContact CG-CG 4.44Å; L134-M138 HydrophobicContact CG-SD 4.19Å; L134-M138 WeakPolarHBondContact O-CB 3.35Å; L134-M138 WeakPolarHBondContact O-CG 3.37Å; L134-M138 PolarHBondContact O-N 2.94Å; I135-M138 PolarHBondContact O-N 2.6Å; M138-Y140 PolarHBondContact O-N 3.37Å; M138-T141 WeakPolarHBondContact CA-OG1 3.43Å; M138-T141 PolarHBondContact O-N 3.14Å; M138-T141 PolarHBondContact O-OG1 3.34Å; M138-F142 HydrophobicContact CB-CD2 4.37Å; M138-F142 HydrophobicContact CE-CE2 3.81Å; M138-F142 WeakPolarHBondContact O-CB 3.41Å; M138-F142 WeakPolarHBondContact O-CD2 3.39Å; M138-F142 PolarHBondContact O-N 3.12Å
139	V	76.6	Confident	72.2	Confident	59 Å²	59	56.3 Å²	56.3	36%	0.358	34%	0.343	S	S	.	.	H	α-helix	trans	-55.9	-41.7	178.3	168.8	0	0	0	0	110.5	I135 I143	I135-V139 HydrophobicContact CG2-CG2 4.28Å; I135-V139 WeakPolarHBondContact O-CB 3.15Å; I135-V139 WeakPolarHBondContact O-CG2 3.5Å; I135-V139 PolarHBondContact O-N 2.98Å; V139-I143 HydrophobicContact CG1-CD1 3.49Å; V139-I143 VanDerWaalsContact CG1-CD1 3.49Å; V139-I143 HydrophobicContact CG1-CG1 4.34Å; V139-I143 WeakPolarHBondContact O-CB 3.48Å; V139-I143 WeakPolarHBondContact O-CD1 3.31Å; V139-I143 WeakPolarHBondContact O-CG1 3.49Å; V139-I143 PolarHBondContact O-N 2.89Å
140	Y	69.8	Low	70.8	Confident	21 Å²	21	61.5 Å²	61.5	8%	0.082	37%	0.37	C	S	.	.	H	α-helix	trans	-65.2	-50.9	177.4	-174.2	-118.6	0	0	0	112.6	R79 E91 V136 T137 M138 F142 I143 D144 L155	R79-Y140 PolarHBondContact NH2-OH 2.81Å; R79-Y140 VanDerWaalsContact NH2-OH 3.12Å; E91-Y140 HydrophobicContact CG-CD1 4.01Å; E91-Y140 HydrophobicContact CG-CE1 3.54Å; E91-Y140 WeakPolarHBondContact OE1-CE1 3.15Å; E91-Y140 PolarHBondContact OE1-OH 2.94Å; E91-Y140 WeakPolarHBondContact OE2-CE1 3.26Å; V136-Y140 WeakPolarHBondContact O-CB 3.47Å; V136-Y140 PolarHBondContact O-N 3.16Å; V136-Y140 VanDerWaalsContact O-N 3.08Å; T137-Y140 PolarHBondContact O-N 2.89Å; M138-Y140 PolarHBondContact O-N 3.37Å; Y140-F142 VanDerWaalsContact C-N 3.28Å; Y140-F142 PolarHBondContact O-N 2.83Å; Y140-I143 PolarHBondContact O-N 3.26Å; Y140-D144 PolarHBondContact O-N 3.33Å; Y140-D144 VanDerWaalsContact O-N 3.13Å; Y140-L155 HydrophobicContact CD2-CD2 4.29Å
141	T	70.6	Confident	69.3	Low	22 Å²	22	66.6 Å²	66.6	14%	0.135	40%	0.396	C	S	.	.	H	α-helix	trans	-62.1	-34.6	179.4	51.7	0	0	0	0	112.7	E91 L95 T137 M138 V145	E91-T141 HydrophobicContact CB-CG2 4.18Å; L95-T141 HydrophobicContact CD2-CG2 4.35Å; T137-T141 WeakPolarHBondContact O-CG2 3.43Å; T137-T141 PolarHBondContact O-N 2.68Å; T137-T141 PolarHBondContact O-OG1 2.7Å; M138-T141 WeakPolarHBondContact CA-OG1 3.43Å; M138-T141 PolarHBondContact O-N 3.14Å; M138-T141 PolarHBondContact O-OG1 3.34Å; T141-V145 WeakPolarHBondContact O-CG2 3.43Å; T141-V145 PolarHBondContact O-N 3.12Å
142	F	71	Confident	67.9	Low	130 Å²	130	68.1 Å²	68.1	57%	0.57	41%	0.407	S	S	*	.	H	α-helix	trans	-78.1	-34.1	179.5	-84.3	-75.2	0	0	0	112.8	M138 Y140 T146	M138-F142 HydrophobicContact CB-CD2 4.37Å; M138-F142 HydrophobicContact CE-CE2 3.81Å; M138-F142 WeakPolarHBondContact O-CB 3.41Å; M138-F142 WeakPolarHBondContact O-CD2 3.39Å; M138-F142 PolarHBondContact O-N 3.12Å; Y140-F142 VanDerWaalsContact C-N 3.28Å; Y140-F142 PolarHBondContact O-N 2.83Å; F142-T146 PolarHBondContact O-N 3.26Å; F142-T146 PolarHBondContact O-OG1 3.33Å
143	I	67.1	Low	66.7	Low	43 Å²	43	75.4 Å²	75.4	22%	0.221	43%	0.425	C	S	.	.	H	α-helix	trans	-68	-41.1	177	-73.1	169.9	0	0	0	111.1	V139 Y140 V145 T146 G147 L155	V139-I143 HydrophobicContact CG1-CD1 3.49Å; V139-I143 VanDerWaalsContact CG1-CD1 3.49Å; V139-I143 HydrophobicContact CG1-CG1 4.34Å; V139-I143 WeakPolarHBondContact O-CB 3.48Å; V139-I143 WeakPolarHBondContact O-CD1 3.31Å; V139-I143 WeakPolarHBondContact O-CG1 3.49Å; V139-I143 PolarHBondContact O-N 2.89Å; Y140-I143 PolarHBondContact O-N 3.26Å; I143-V145 VanDerWaalsContact C-N 3.34Å; I143-V145 PolarHBondContact O-N 3.31Å; I143-T146 PolarHBondContact O-N 3.48Å; I143-T146 PolarHBondContact O-OG1 3.06Å; I143-G147 PolarHBondContact O-N 3.16Å; I143-L155 HydrophobicContact CD1-CD2 4.36Å
144	D	61.4	Low	65.6	Low	85 Å²	85	77.3 Å²	77.3	46%	0.455	44%	0.442	S	S	.	.	H	α-helix	trans	-66.3	-39	180	-148.1	42.3	0	0	0	111.4	Y140 T146 G147	Y140-D144 PolarHBondContact O-N 3.33Å; Y140-D144 VanDerWaalsContact O-N 3.13Å; D144-T146 VanDerWaalsContact C-N 3.31Å; D144-T146 PolarHBondContact O-N 2.83Å; D144-G147 PolarHBondContact O-N 3.07Å
145	V	58.1	Low	64.4	Low	125 Å²	125	78.2 Å²	78.2	76%	0.758	45%	0.447	S	S	*	.	H	α-helix	trans	-66.3	-29.2	176	172.5	0	0	0	0	113.1	T141 I143	T141-V145 WeakPolarHBondContact O-CG2 3.43Å; T141-V145 PolarHBondContact O-N 3.12Å; I143-V145 VanDerWaalsContact C-N 3.34Å; I143-V145 PolarHBondContact O-N 3.31Å
146	T	59.1	Low	63.2	Low	106 Å²	106	76.4 Å²	76.4	65%	0.65	44%	0.44	S	S	*	.	H	α-helix	trans	-92.1	-3.7	-179.8	33.5	0	0	0	0	114.1	F142 I143 D144 A148	F142-T146 PolarHBondContact O-N 3.26Å; F142-T146 PolarHBondContact O-OG1 3.33Å; I143-T146 PolarHBondContact O-N 3.48Å; I143-T146 PolarHBondContact O-OG1 3.06Å; D144-T146 VanDerWaalsContact C-N 3.31Å; D144-T146 PolarHBondContact O-N 2.83Å; T146-A148 PolarHBondContact O-N 2.9Å; T146-A148 VanDerWaalsContact O-N 3.17Å
147	G	54.1	Low	62.5	Low	68 Å²	68	82.1 Å²	82.1	70%	0.701	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	20.4	178.1	0	0	0	0	0	114.2	I143 D144 S149	I143-G147 PolarHBondContact O-N 3.16Å; D144-G147 PolarHBondContact O-N 3.07Å; G147-S149 PolarHBondContact O-N 3.35Å
148	A	51.2	Low	61.9	Low	44 Å²	44	84.4 Å²	84.4	36%	0.364	48%	0.476	S	S	.	.			trans	-77	117.2	-174.5	0	0	0	0	0	111.2	T146 L150	T146-A148 PolarHBondContact O-N 2.9Å; T146-A148 VanDerWaalsContact O-N 3.17Å; A148-L150 PolarHBondContact O-N 2.72Å
149	S	52.2	Low	61	Low	127 Å²	127	83.3 Å²	83.3	89%	0.888	47%	0.468	S	S	*	.			trans	-75.8	50.9	-177.8	55.7	0	0	0	0	114.3	G147	G147-S149 PolarHBondContact O-N 3.35Å
150	L	54	Low	60.4	Low	116 Å²	116	86.6 Å²	86.6	61%	0.607	48%	0.477	S	S	*	.			trans	-85.3	122.2	177.3	-80.6	162.3	0	0	0	112.5	A148	A148-L150 PolarHBondContact O-N 2.72Å
151	I	56.3	Low	60.3	Low	107 Å²	107	88.3 Å²	88.3	55%	0.549	49%	0.488	S	S	.	.			trans	15.9	102.5	165.5	-48.7	176.3	0	0	0	115.9	R153 A154	I151-R153 HydrophobicContact CG2-CB 4.01Å; I151-R153 PolarHBondContact O-N 3.1Å; I151-A154 PolarHBondContact O-N 2.99Å
152	P	58.9	Low	60.1	Low	102 Å²	102	88 Å²	88	66%	0.662	48%	0.484	S	S	*	.	H	α-helix	trans	-52.6	-28	177.2	-26.4	32.4	0	0	0	114.8	T156	P152-T156 PolarHBondContact O-N 3.47Å; P152-T156 VanDerWaalsContact O-N 3.16Å; P152-T156 PolarHBondContact O-OG1 3.05Å
153	R	54.2	Low	59.8	Low	214 Å²	214	86.8 Å²	86.8	81%	0.808	48%	0.483	S	S	*	.	H	α-helix	trans	-70.3	-36.9	-179.4	-65.3	179.7	178.1	165.3	-0.7	113.2	I151 T156 F157	I151-R153 HydrophobicContact CG2-CB 4.01Å; I151-R153 PolarHBondContact O-N 3.1Å; R153-T156 PolarHBondContact O-N 3.35Å; R153-F157 PolarHBondContact O-N 3.41Å
154	A	57	Low	59.9	Low	52 Å²	52	87.6 Å²	87.6	43%	0.43	49%	0.487	S	S	.	.	H	α-helix	trans	-70.3	-43	179.3	0	0	0	0	0	111.2	I151 T156 F157 L158	I151-A154 PolarHBondContact O-N 2.99Å; A154-T156 VanDerWaalsContact C-N 3.29Å; A154-T156 PolarHBondContact O-N 3.33Å; A154-F157 PolarHBondContact O-N 2.84Å; A154-L158 WeakPolarHBondContact O-CG 3.49Å; A154-L158 PolarHBondContact O-N 3.29Å
155	L	60.1	Low	60.2	Low	35 Å²	35	83.9 Å²	83.9	18%	0.183	47%	0.467	C	S	.	.	H	α-helix	trans	-62.3	-36.9	175.2	-66.5	172.7	0	0	0	112.1	Y140 I143 R159	Y140-L155 HydrophobicContact CD2-CD2 4.29Å; I143-L155 HydrophobicContact CD1-CD2 4.36Å; L155-R159 WeakPolarHBondContact O-CG 3.41Å; L155-R159 PolarHBondContact O-N 3.18Å
156	T	60.4	Low	60.6	Low	58 Å²	58	81 Å²	81	36%	0.356	45%	0.447	S	S	.	.	H	α-helix	trans	-68.6	-39.8	176.1	-50.1	0	0	0	0	111.7	P152 R153 A154 R159 F160	P152-T156 PolarHBondContact O-N 3.47Å; P152-T156 VanDerWaalsContact O-N 3.16Å; P152-T156 PolarHBondContact O-OG1 3.05Å; R153-T156 PolarHBondContact O-N 3.35Å; A154-T156 VanDerWaalsContact C-N 3.29Å; A154-T156 PolarHBondContact O-N 3.33Å; T156-R159 WeakPolarHBondContact O-CB 3.24Å; T156-R159 PolarHBondContact O-N 3.38Å; T156-F160 HydrophobicContact CG2-CE2 4.18Å; T156-F160 VanDerWaalsContact O-CD2 3.24Å; T156-F160 WeakPolarHBondContact O-CD2 3.14Å; T156-F160 PolarHBondContact O-N 3.2Å
157	F	62.3	Low	61.3	Low	139 Å²	139	77.7 Å²	77.7	61%	0.61	43%	0.426	S	S	*	.	H	α-helix	trans	-65.2	-42.5	175.3	-178.8	-98.9	0	0	0	112.7	R153 A154 R159 F160 L161	R153-F157 PolarHBondContact O-N 3.41Å; A154-F157 PolarHBondContact O-N 2.84Å; F157-R159 PolarHBondContact O-N 3.19Å; F157-F160 WeakPolarHBondContact O-CB 3.17Å; F157-F160 PolarHBondContact O-N 2.86Å; F157-F160 VanDerWaalsContact O-N 3.1Å; F157-L161 HydrophobicContact CE1-CD1 4.49Å; F157-L161 PolarHBondContact O-N 2.54Å
158	L	63.8	Low	62.1	Low	52 Å²	52	74.8 Å²	74.8	27%	0.272	39%	0.394	S	S	.	.	H	α-helix	trans	-63.6	-28.1	175.9	-66.8	176.3	0	0	0	112.4	V136 A154 L161	V136-L158 HydrophobicContact CG1-CB 4.15Å; V136-L158 HydrophobicContact CG2-CD2 4.32Å; A154-L158 WeakPolarHBondContact O-CG 3.49Å; A154-L158 PolarHBondContact O-N 3.29Å; L158-L161 HydrophobicContact CD2-CD1 3.66Å; L158-L161 WeakPolarHBondContact O-CB 3.42Å; L158-L161 PolarHBondContact O-N 3.27Å
159	R	63.8	Low	63	Low	45 Å²	45	76.4 Å²	76.4	17%	0.17	40%	0.396	C	S	.	.	H	α-helix	trans	-68.1	-36.6	171.7	-73.1	175.7	-158	142.4	13.2	113	R79 L155 T156 F157 L161 R162	R79-R159 VanDerWaalsContact CZ-CZ 3.42Å; R79-R159 VanDerWaalsContact NH1-NH1 3.15Å; R79-R159 VanDerWaalsContact NH1-NH2 3.13Å; L155-R159 WeakPolarHBondContact O-CG 3.41Å; L155-R159 PolarHBondContact O-N 3.18Å; T156-R159 WeakPolarHBondContact O-CB 3.24Å; T156-R159 PolarHBondContact O-N 3.38Å; F157-R159 PolarHBondContact O-N 3.19Å; R159-L161 PolarHBondContact O-N 3.02Å; R159-R162 VanDerWaalsContact O-CB 3.31Å; R159-R162 WeakPolarHBondContact O-CB 3.2Å; R159-R162 PolarHBondContact O-N 3.3Å
160	F	64.1	Low	63.7	Low	127 Å²	127	77.3 Å²	77.3	56%	0.557	38%	0.384	S	S	*	.	H	α-helix	trans	-62.6	-29.3	172.9	-78.7	-77.8	0	0	0	112	T156 F157 R162 I163	T156-F160 HydrophobicContact CG2-CE2 4.18Å; T156-F160 VanDerWaalsContact O-CD2 3.24Å; T156-F160 WeakPolarHBondContact O-CD2 3.14Å; T156-F160 PolarHBondContact O-N 3.2Å; F157-F160 WeakPolarHBondContact O-CB 3.17Å; F157-F160 PolarHBondContact O-N 2.86Å; F157-F160 VanDerWaalsContact O-N 3.1Å; F160-R162 PolarHBondContact O-N 2.73Å; F160-I163 WeakPolarHBondContact O-CB 3.16Å; F160-I163 WeakPolarHBondContact O-CG2 3.47Å; F160-I163 PolarHBondContact O-N 3.04Å
161	L	67.1	Low	64.5	Low	58 Å²	58	72 Å²	72	30%	0.304	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-65	-19.9	173.6	-61.4	173.8	0	0	0	112.8	V136 F157 L158 R159 I163 I164	V136-L161 HydrophobicContact CG2-CD1 4.25Å; F157-L161 HydrophobicContact CE1-CD1 4.49Å; F157-L161 PolarHBondContact O-N 2.54Å; L158-L161 HydrophobicContact CD2-CD1 3.66Å; L158-L161 WeakPolarHBondContact O-CB 3.42Å; L158-L161 PolarHBondContact O-N 3.27Å; R159-L161 PolarHBondContact O-N 3.02Å; L161-I163 PolarHBondContact O-N 3.07Å; L161-I164 HydrophobicContact CB-CD1 4.1Å; L161-I164 HydrophobicContact CD2-CD1 3.64Å; L161-I164 WeakPolarHBondContact O-CB 3.42Å; L161-I164 WeakPolarHBondContact O-CD1 3.34Å; L161-I164 WeakPolarHBondContact O-CG1 3.42Å; L161-I164 PolarHBondContact O-N 3.37Å; L161-I164 VanDerWaalsContact O-N 3.1Å
162	R	65.8	Low	64.9	Low	14 Å²	14	69.3 Å²	69.3	5%	0.053	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-67.8	-20.2	172.6	-65.5	-167.6	177.7	175.7	0.2	112.5	V72 R159 F160 I164 I165	V72-R162 HydrophobicContact CG1-CB 4.18Å; V72-R162 HydrophobicContact CG2-CB 3.97Å; R159-R162 VanDerWaalsContact O-CB 3.31Å; R159-R162 WeakPolarHBondContact O-CB 3.2Å; R159-R162 PolarHBondContact O-N 3.3Å; F160-R162 PolarHBondContact O-N 2.73Å; R162-I164 PolarHBondContact O-N 3.17Å; R162-I164 VanDerWaalsContact O-N 3.15Å; R162-I165 HydrophobicContact CB-CD1 4.15Å; R162-I165 VanDerWaalsContact O-CB 3.25Å; R162-I165 WeakPolarHBondContact O-CB 3.46Å; R162-I165 VanDerWaalsContact O-CD1 3.26Å; R162-I165 WeakPolarHBondContact O-CD1 3.18Å; R162-I165 VanDerWaalsContact O-CG1 3.24Å; R162-I165 WeakPolarHBondContact O-CG1 3.2Å; R162-I165 PolarHBondContact O-N 3.3Å
163	I	65.1	Low	65.1	Low	106 Å²	106	67.6 Å²	67.6	54%	0.544	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-64.3	-19.3	172.1	-144.1	168	0	0	0	112.2	F160 L161 I165 L166	F160-I163 WeakPolarHBondContact O-CB 3.16Å; F160-I163 WeakPolarHBondContact O-CG2 3.47Å; F160-I163 PolarHBondContact O-N 3.04Å; L161-I163 PolarHBondContact O-N 3.07Å; I163-I165 PolarHBondContact O-N 3.19Å; I163-L166 HydrophobicContact CD1-CD1 4.39Å; I163-L166 HydrophobicContact CG1-CD1 3.65Å; I163-L166 HydrophobicContact CG1-CG 4.23Å; I163-L166 VanDerWaalsContact O-CB 3.23Å; I163-L166 WeakPolarHBondContact O-CB 3.49Å; I163-L166 VanDerWaalsContact O-CG 3.28Å; I163-L166 WeakPolarHBondContact O-CG 3.39Å; I163-L166 PolarHBondContact O-N 2.83Å
164	I	69.3	Low	65.7	Low	59 Å²	59	60.9 Å²	60.9	30%	0.303	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-64.1	-18.9	174.7	-56.2	173.2	0	0	0	110.7	V129 L161 R162 L166 V167	V129-I164 HydrophobicContact CB-CG2 4.17Å; V129-I164 HydrophobicContact CG1-CG2 3.83Å; V129-I164 HydrophobicContact CG2-CG2 3.4Å; V129-I164 VanDerWaalsContact CG2-CG2 3.4Å; L161-I164 HydrophobicContact CB-CD1 4.1Å; L161-I164 HydrophobicContact CD2-CD1 3.64Å; L161-I164 WeakPolarHBondContact O-CB 3.42Å; L161-I164 WeakPolarHBondContact O-CD1 3.34Å; L161-I164 WeakPolarHBondContact O-CG1 3.42Å; L161-I164 PolarHBondContact O-N 3.37Å; L161-I164 VanDerWaalsContact O-N 3.1Å; R162-I164 PolarHBondContact O-N 3.17Å; R162-I164 VanDerWaalsContact O-N 3.15Å; I164-L166 PolarHBondContact O-N 2.87Å; I164-L166 VanDerWaalsContact O-N 3.14Å; I164-V167 HydrophobicContact CG2-CB 4.47Å; I164-V167 HydrophobicContact CG2-CG2 3.98Å; I164-V167 WeakPolarHBondContact O-CB 3.2Å; I164-V167 VanDerWaalsContact O-CG2 3.31Å; I164-V167 WeakPolarHBondContact O-CG2 3.49Å; I164-V167 PolarHBondContact O-N 3.37Å
165	I	66.8	Low	66.1	Low	7 Å²	7	59.7 Å²	59.7	4%	0.036	31%	0.309	C	S	.	.	H	α-helix	trans	-56.7	-28.8	169.6	-65.1	158.9	0	0	0	111.3	I65 D68 I69 T133 R162 I163 V167 R168	I65-I165 HydrophobicContact CG2-CG2 4.36Å; D68-I165 WeakPolarHBondContact OD2-CD1 3.34Å; I69-I165 HydrophobicContact CG1-CG2 4.37Å; T133-I165 HydrophobicContact CG2-CD1 4.3Å; T133-I165 HydrophobicContact CG2-CG1 3.73Å; R162-I165 HydrophobicContact CB-CD1 4.15Å; R162-I165 VanDerWaalsContact O-CB 3.25Å; R162-I165 WeakPolarHBondContact O-CB 3.46Å; R162-I165 VanDerWaalsContact O-CD1 3.26Å; R162-I165 WeakPolarHBondContact O-CD1 3.18Å; R162-I165 VanDerWaalsContact O-CG1 3.24Å; R162-I165 WeakPolarHBondContact O-CG1 3.2Å; R162-I165 PolarHBondContact O-N 3.3Å; I163-I165 PolarHBondContact O-N 3.19Å; I165-V167 PolarHBondContact O-N 2.94Å; I165-R168 VanDerWaalsContact O-CB 3.26Å; I165-R168 WeakPolarHBondContact O-CB 3.48Å; I165-R168 PolarHBondContact O-N 3.48Å
166	L	67.9	Low	66.6	Low	64 Å²	64	64 Å²	64	34%	0.335	33%	0.326	S	S	.	.	H	α-helix	trans	-62.2	-25.4	173.9	-59.5	-178.1	0	0	0	112.7	I69 I163 I164 R168 I169 F170	I69-L166 HydrophobicContact CD1-CD2 3.65Å; I69-L166 HydrophobicContact CG1-CD2 4.03Å; I163-L166 HydrophobicContact CD1-CD1 4.39Å; I163-L166 HydrophobicContact CG1-CD1 3.65Å; I163-L166 HydrophobicContact CG1-CG 4.23Å; I163-L166 VanDerWaalsContact O-CB 3.23Å; I163-L166 WeakPolarHBondContact O-CB 3.49Å; I163-L166 VanDerWaalsContact O-CG 3.28Å; I163-L166 WeakPolarHBondContact O-CG 3.39Å; I163-L166 PolarHBondContact O-N 2.83Å; I164-L166 PolarHBondContact O-N 2.87Å; I164-L166 VanDerWaalsContact O-N 3.14Å; L166-R168 PolarHBondContact O-N 3.36Å; L166-I169 HydrophobicContact CB-CD1 4.47Å; L166-I169 HydrophobicContact CD2-CD1 3.59Å; L166-I169 WeakPolarHBondContact O-CA 3.37Å; L166-I169 WeakPolarHBondContact O-CB 3.42Å; L166-I169 PolarHBondContact O-N 2.91Å; L166-F170 WeakPolarHBondContact O-CD2 3.35Å; L166-F170 PolarHBondContact O-N 3.01Å
167	V	73.1	Confident	66.9	Low	37 Å²	37	68.7 Å²	68.7	22%	0.224	34%	0.341	C	S	.	.	H	α-helix	trans	-59.2	-29.9	172.1	178.4	0	0	0	0	111.3	M125 V129 I164 I165 I169 F170 R171	M125-V167 HydrophobicContact CE-CG1 3.29Å; M125-V167 HydrophobicContact CG-CG1 3.86Å; M125-V167 HydrophobicContact SD-CG1 3.51Å; M125-V167 VanDerWaalsContact SD-CG1 3.51Å; V129-V167 HydrophobicContact CG2-CB 4.17Å; V129-V167 HydrophobicContact CG2-CG1 4.14Å; I164-V167 HydrophobicContact CG2-CB 4.47Å; I164-V167 HydrophobicContact CG2-CG2 3.98Å; I164-V167 WeakPolarHBondContact O-CB 3.2Å; I164-V167 VanDerWaalsContact O-CG2 3.31Å; I164-V167 WeakPolarHBondContact O-CG2 3.49Å; I164-V167 PolarHBondContact O-N 3.37Å; I165-V167 PolarHBondContact O-N 2.94Å; V167-I169 VanDerWaalsContact C-N 3.29Å; V167-I169 PolarHBondContact O-N 3.2Å; V167-F170 WeakPolarHBondContact O-CB 3.45Å; V167-F170 PolarHBondContact O-N 3.35Å; V167-F170 VanDerWaalsContact O-N 3.15Å; V167-R171 PolarHBondContact O-N 3.48Å; V167-R171 VanDerWaalsContact O-N 3.08Å
168	R	71.9	Confident	67.2	Low	8 Å²	8	65.9 Å²	65.9	3%	0.03	33%	0.33	C	S	.	.	H	α-helix	trans	-69.7	-27.6	175.6	-54.8	-169.3	72	-144.3	10.5	112.3	I65 F101 D104 D126 V129 I165 L166 F170 R171 L172	I65-R168 HydrophobicContact CD1-CB 4.17Å; F101-R168 VanDerWaalsContact CD1-NH2 3.31Å; D104-R168 IonicContact OD2-NH2 3.98Å; D126-R168 WeakPolarHBondContact OD1-CG 3.28Å; D126-R168 IonicContact OD1-CZ 2.79Å; D126-R168 IonicContact OD1-NE 3.73Å; D126-R168 PolarHBondContact OD1-NE 2.86Å; V129-R168 HydrophobicContact CG1-CG 4.05Å; I165-R168 VanDerWaalsContact O-CB 3.26Å; I165-R168 WeakPolarHBondContact O-CB 3.48Å; I165-R168 PolarHBondContact O-N 3.48Å; L166-R168 PolarHBondContact O-N 3.36Å; R168-F170 VanDerWaalsContact C-N 3.33Å; R168-R171 PolarHBondContact O-N 3.42Å; R168-L172 WeakPolarHBondContact O-CB 3.32Å; R168-L172 WeakPolarHBondContact O-CD1 3.45Å; R168-L172 PolarHBondContact O-N 3.35Å
169	I	68.6	Low	67.3	Low	77 Å²	77	65.8 Å²	65.8	40%	0.395	33%	0.329	S	S	.	.	H	α-helix	trans	-62.9	-42.8	170	-55.4	177.7	0	0	0	110	I65 I69 L166 V167 R171 L172 A173	I65-I169 HydrophobicContact CG2-CG1 4.2Å; I69-I169 HydrophobicContact CD1-CD1 3.76Å; I69-I169 HydrophobicContact CD1-CG1 4.41Å; L166-I169 HydrophobicContact CB-CD1 4.47Å; L166-I169 HydrophobicContact CD2-CD1 3.59Å; L166-I169 WeakPolarHBondContact O-CA 3.37Å; L166-I169 WeakPolarHBondContact O-CB 3.42Å; L166-I169 PolarHBondContact O-N 2.91Å; V167-I169 VanDerWaalsContact C-N 3.29Å; V167-I169 PolarHBondContact O-N 3.2Å; I169-R171 PolarHBondContact O-N 3.12Å; I169-L172 WeakPolarHBondContact O-CB 3.24Å; I169-L172 PolarHBondContact O-N 3.46Å; I169-A173 WeakPolarHBondContact O-CB 3.29Å; I169-A173 PolarHBondContact O-N 3.5Å
170	F	67.8	Low	67.6	Low	147 Å²	147	65.4 Å²	65.4	65%	0.645	33%	0.33	S	S	*	.	H	α-helix	trans	-65	-39.1	176.9	-70.1	-81.7	0	0	0	112.2	L166 V167 R168 A173 S174	L166-F170 WeakPolarHBondContact O-CD2 3.35Å; L166-F170 PolarHBondContact O-N 3.01Å; V167-F170 WeakPolarHBondContact O-CB 3.45Å; V167-F170 PolarHBondContact O-N 3.35Å; V167-F170 VanDerWaalsContact O-N 3.15Å; R168-F170 VanDerWaalsContact C-N 3.33Å; F170-A173 PolarHBondContact O-N 3.28Å; F170-S174 PolarHBondContact O-N 3.06Å
171	R	70.4	Confident	67.9	Low	5 Å²	5	63 Å²	63	2%	0.019	32%	0.319	C	S	.	.	H	α-helix	trans	-62.6	-43	171.8	-166.9	-148.3	-170.4	-178.8	1.3	111.7	Y117 N123 D126 V167 R168 I169 S174 Q175	Y117-R171 PolarHBondContact OH-NH2 3.18Å; N123-R171 PolarHBondContact OD1-NE 2.89Å; N123-R171 PolarHBondContact OD1-NH2 3.28Å; D126-R171 HydrophobicContact CB-CG 4.28Å; D126-R171 VanDerWaalsContact CG-CD 3.49Å; D126-R171 WeakPolarHBondContact OD1-CD 3.1Å; D126-R171 IonicContact OD1-NH1 2.97Å; D126-R171 IonicContact OD2-CZ 3.31Å; D126-R171 IonicContact OD2-NE 2.64Å; D126-R171 IonicContact OD2-NH1 3.22Å; D126-R171 PolarHBondContact OD2-NH1 2.85Å; V167-R171 PolarHBondContact O-N 3.48Å; V167-R171 VanDerWaalsContact O-N 3.08Å; R168-R171 PolarHBondContact O-N 3.42Å; I169-R171 PolarHBondContact O-N 3.12Å; R171-S174 CarbonylContact O-C 3.53Å; R171-S174 WeakPolarHBondContact O-CA 3.4Å; R171-S174 VanDerWaalsContact O-CB 3.31Å; R171-S174 WeakPolarHBondContact O-CB 3.08Å; R171-S174 PolarHBondContact O-N 2.54Å; R171-S174 VanDerWaalsContact O-N 3.14Å; R171-Q175 WeakPolarHBondContact O-CG 3.1Å; R171-Q175 PolarHBondContact O-N 3.3Å
172	L	64.7	Low	67.9	Low	49 Å²	49	61.2 Å²	61.2	26%	0.257	31%	0.31	S	S	.	.	H	α-helix	trans	-62.4	-42.4	175.4	-88	155.1	0	0	0	112.4	I65 R168 I169 S174 Q175 K176	I65-L172 HydrophobicContact CD1-CD1 3.23Å; R168-L172 WeakPolarHBondContact O-CB 3.32Å; R168-L172 WeakPolarHBondContact O-CD1 3.45Å; R168-L172 PolarHBondContact O-N 3.35Å; I169-L172 WeakPolarHBondContact O-CB 3.24Å; I169-L172 PolarHBondContact O-N 3.46Å; L172-S174 PolarHBondContact O-N 2.92Å; L172-Q175 CarbonylContact O-C 3.49Å; L172-Q175 WeakPolarHBondContact O-CA 3.4Å; L172-Q175 PolarHBondContact O-N 3.25Å; L172-K176 PolarHBondContact O-N 2.95Å
173	A	63.8	Low	68	Low	67 Å²	67	61.1 Å²	61.1	55%	0.554	31%	0.311	S	S	*	.	H	α-helix	trans	-59.4	-38.7	173	0	0	0	0	0	110.9	I169 F170 Q175 K176	I169-A173 WeakPolarHBondContact O-CB 3.29Å; I169-A173 PolarHBondContact O-N 3.5Å; F170-A173 PolarHBondContact O-N 3.28Å; A173-Q175 VanDerWaalsContact C-N 3.29Å; A173-Q175 PolarHBondContact O-N 2.91Å; A173-K176 VanDerWaalsContact O-CB 3.22Å; A173-K176 WeakPolarHBondContact O-CB 3.29Å; A173-K176 PolarHBondContact O-N 3.08Å
174	S	66.6	Low	68.6	Low	73 Å²	73	57.6 Å²	57.6	51%	0.51	29%	0.291	S	S	.	.	H	α-helix	trans	-67.8	-25.2	172	-174.8	0	0	0	0	113.6	L122 F170 R171 L172 K176	L122-S174 VanDerWaalsContact CD1-OG 3.25Å; L122-S174 WeakPolarHBondContact CD1-OG 3.45Å; F170-S174 PolarHBondContact O-N 3.06Å; R171-S174 CarbonylContact O-C 3.53Å; R171-S174 WeakPolarHBondContact O-CA 3.4Å; R171-S174 VanDerWaalsContact O-CB 3.31Å; R171-S174 WeakPolarHBondContact O-CB 3.08Å; R171-S174 PolarHBondContact O-N 2.54Å; R171-S174 VanDerWaalsContact O-N 3.14Å; L172-S174 PolarHBondContact O-N 2.92Å; S174-K176 VanDerWaalsContact C-N 3.32Å
175	Q	66.1	Low	68.7	Low	27 Å²	27	59.9 Å²	59.9	13%	0.126	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	1.4	176.5	-71.2	-176.5	-17.6	0	0	113.5	R171 L172 A173 K177 E178 L179	R171-Q175 WeakPolarHBondContact O-CG 3.1Å; R171-Q175 PolarHBondContact O-N 3.3Å; L172-Q175 CarbonylContact O-C 3.49Å; L172-Q175 WeakPolarHBondContact O-CA 3.4Å; L172-Q175 PolarHBondContact O-N 3.25Å; A173-Q175 VanDerWaalsContact C-N 3.29Å; A173-Q175 PolarHBondContact O-N 2.91Å; Q175-K177 PolarHBondContact O-N 3.21Å; Q175-K177 VanDerWaalsContact O-N 3.16Å; Q175-E178 PolarHBondContact O-N 3.29Å; Q175-L179 PolarHBondContact O-N 3.1Å
176	K	69.3	Low	68.6	Low	124 Å²	124	63.5 Å²	63.5	54%	0.539	31%	0.314	S	S	.	.	H	α-helix	trans	-49.4	-43.1	178.2	179.6	-177	173.6	-174.7	0	112.9	L172 A173 S174 E178 L179 E180	L172-K176 PolarHBondContact O-N 2.95Å; A173-K176 VanDerWaalsContact O-CB 3.22Å; A173-K176 WeakPolarHBondContact O-CB 3.29Å; A173-K176 PolarHBondContact O-N 3.08Å; S174-K176 VanDerWaalsContact C-N 3.32Å; K176-E178 PolarHBondContact O-N 3.06Å; K176-L179 PolarHBondContact O-N 3.39Å; K176-E180 VanDerWaalsContact CE-OE1 3.32Å; K176-E180 WeakPolarHBondContact CE-OE1 3.47Å; K176-E180 WeakPolarHBondContact O-CG 3.42Å; K176-E180 PolarHBondContact O-N 3.18Å
177	K	67.2	Low	68.9	Low	158 Å²	158	63.6 Å²	63.6	69%	0.687	31%	0.314	S	S	*	.	H	α-helix	trans	-64	-37.7	179.3	-70	-172.6	177.5	-177.6	0	112.7	Q175 K181	Q175-K177 PolarHBondContact O-N 3.21Å; Q175-K177 VanDerWaalsContact O-N 3.16Å; K177-K181 WeakPolarHBondContact O-CG 3.32Å; K177-K181 PolarHBondContact O-N 2.8Å; K177-K181 VanDerWaalsContact O-N 3.14Å
178	E	67.4	Low	68.7	Low	79 Å²	79	62 Å²	62	37%	0.369	30%	0.304	S	S	.	.	H	α-helix	trans	-71.9	-37.3	176.9	-67.6	-54.2	127.9	0	0	111.2	Q175 K176 E180 K181 V182	Q175-E178 PolarHBondContact O-N 3.29Å; K176-E178 PolarHBondContact O-N 3.06Å; E178-E180 PolarHBondContact O-N 3.47Å; E178-K181 PolarHBondContact O-N 2.8Å; E178-K181 IonicContact OE1-NZ 3.18Å; E178-K181 PolarHBondContact OE1-NZ 2.78Å; E178-K181 IonicContact OE2-NZ 3.47Å; E178-V182 WeakPolarHBondContact O-CG2 3.08Å; E178-V182 PolarHBondContact O-N 3.35Å
179	L	66.1	Low	69	Low	50 Å²	50	65.1 Å²	65.1	26%	0.262	32%	0.319	S	S	.	.	H	α-helix	trans	-61.9	-44.1	173.7	-169.8	63.4	0	0	0	111.4	F55 R58 Q175 K176 K181 V182 T183 F223	F55-L179 HydrophobicContact CD2-CD1 3.69Å; F55-L179 HydrophobicContact CE2-CD1 4.01Å; R58-L179 HydrophobicContact CB-CD1 4.29Å; Q175-L179 PolarHBondContact O-N 3.1Å; K176-L179 PolarHBondContact O-N 3.39Å; L179-K181 PolarHBondContact O-N 3.4Å; L179-V182 PolarHBondContact O-N 2.77Å; L179-T183 WeakPolarHBondContact O-CB 3.49Å; L179-T183 PolarHBondContact O-N 3.3Å; L179-T183 PolarHBondContact O-OG1 3.2Å; L179-F223 HydrophobicContact CB-CZ 4.35Å; L179-F223 HydrophobicContact CD2-CZ 3.87Å; L179-F223 HydrophobicContact CG-CZ 3.83Å
180	E	70.8	Confident	69.3	Low	38 Å²	38	61.7 Å²	61.7	18%	0.178	30%	0.302	C	S	.	.	H	α-helix	trans	-56	-47.9	173.1	-76.4	178.2	-163.3	0	0	112.1	K176 E178 V182 T183 R184 F223	K176-E180 VanDerWaalsContact CE-OE1 3.32Å; K176-E180 WeakPolarHBondContact CE-OE1 3.47Å; K176-E180 WeakPolarHBondContact O-CG 3.42Å; K176-E180 PolarHBondContact O-N 3.18Å; E178-E180 PolarHBondContact O-N 3.47Å; E180-V182 PolarHBondContact O-N 3.02Å; E180-T183 PolarHBondContact O-N 3.17Å; E180-R184 WeakPolarHBondContact O-CB 3.33Å; E180-R184 VanDerWaalsContact O-CG 3.27Å; E180-R184 WeakPolarHBondContact O-CG 3.38Å; E180-R184 PolarHBondContact O-N 2.85Å; E180-R184 IonicContact OE2-CZ 3.51Å; E180-R184 IonicContact OE2-NH2 3.91Å; E180-R184 PolarHBondContact OE2-NH2 2.87Å; E180-F223 HydrophobicContact CB-CD2 4.47Å; E180-F223 HydrophobicContact CB-CE2 4.44Å; E180-F223 HydrophobicContact CG-CD2 3.24Å; E180-F223 HydrophobicContact CG-CE2 3.33Å; E180-F223 HydrophobicContact CG-CG 3.94Å; E180-F223 HydrophobicContact CG-CZ 4.12Å
181	K	69.6	Low	69.8	Low	77 Å²	77	55.1 Å²	55.1	34%	0.335	27%	0.273	S	S	.	.	H	α-helix	trans	-59.9	-46.6	177.8	-71.5	173.9	-174.7	171.8	0	111.8	K177 E178 L179 R184 R185	K177-K181 WeakPolarHBondContact O-CG 3.32Å; K177-K181 PolarHBondContact O-N 2.8Å; K177-K181 VanDerWaalsContact O-N 3.14Å; E178-K181 PolarHBondContact O-N 2.8Å; E178-K181 IonicContact OE1-NZ 3.18Å; E178-K181 PolarHBondContact OE1-NZ 2.78Å; E178-K181 IonicContact OE2-NZ 3.47Å; L179-K181 PolarHBondContact O-N 3.4Å; K181-R184 PolarHBondContact O-N 2.83Å; K181-R185 VanDerWaalsContact O-CG 3.32Å; K181-R185 WeakPolarHBondContact O-CG 3.4Å; K181-R185 PolarHBondContact O-N 2.68Å
182	V	67.9	Low	70.3	Confident	19 Å²	19	57.4 Å²	57.4	12%	0.115	28%	0.282	C	S	.	.	H	α-helix	trans	-61.7	-46.2	178	170.6	0	0	0	0	110.7	M53 F55 E178 L179 E180 R184 R185 M186	M53-V182 WeakPolarHBondContact O-CG1 2.97Å; M53-V182 WeakPolarHBondContact O-CG2 3.24Å; F55-V182 HydrophobicContact CB-CG1 4.1Å; E178-V182 WeakPolarHBondContact O-CG2 3.08Å; E178-V182 PolarHBondContact O-N 3.35Å; L179-V182 PolarHBondContact O-N 2.77Å; E180-V182 PolarHBondContact O-N 3.02Å; V182-R184 PolarHBondContact O-N 3.21Å; V182-R185 PolarHBondContact O-N 3.09Å; V182-M186 WeakPolarHBondContact O-CG 3.22Å; V182-M186 PolarHBondContact O-N 3.13Å
183	T	67.6	Low	71.4	Confident	13 Å²	13	56.1 Å²	56.1	8%	0.08	27%	0.273	C	S	.	.	H	α-helix	trans	-61.6	-42.9	178.6	-55.2	0	0	0	0	111.8	L179 E180 R185 M186 I187 F223	L179-T183 WeakPolarHBondContact O-CB 3.49Å; L179-T183 PolarHBondContact O-N 3.3Å; L179-T183 PolarHBondContact O-OG1 3.2Å; E180-T183 PolarHBondContact O-N 3.17Å; T183-R185 PolarHBondContact O-N 3.06Å; T183-M186 HydrophobicContact CG2-CE 4.42Å; T183-M186 PolarHBondContact O-N 2.86Å; T183-I187 HydrophobicContact CG2-CD1 4.28Å; T183-I187 WeakPolarHBondContact O-CG1 3.44Å; T183-I187 PolarHBondContact O-N 3.3Å; T183-F223 HydrophobicContact CG2-CD1 4.15Å; T183-F223 HydrophobicContact CG2-CE1 4.11Å; T183-F223 WeakPolarHBondContact OG1-CE1 3.32Å
184	R	77.4	Confident	72.6	Confident	31 Å²	31	53 Å²	53	12%	0.117	25%	0.247	C	C	.	.	H	α-helix	trans	-60.3	-43.1	174.2	-71	173	-168.1	144.6	16.6	112	E180 K181 V182 M186 I187 S188 R193 A222 R225	E180-R184 WeakPolarHBondContact O-CB 3.33Å; E180-R184 VanDerWaalsContact O-CG 3.27Å; E180-R184 WeakPolarHBondContact O-CG 3.38Å; E180-R184 PolarHBondContact O-N 2.85Å; E180-R184 IonicContact OE2-CZ 3.51Å; E180-R184 IonicContact OE2-NH2 3.91Å; E180-R184 PolarHBondContact OE2-NH2 2.87Å; K181-R184 PolarHBondContact O-N 2.83Å; V182-R184 PolarHBondContact O-N 3.21Å; R184-M186 PolarHBondContact O-N 2.87Å; R184-I187 PolarHBondContact O-N 2.84Å; R184-S188 PolarHBondContact O-N 3.29Å; R184-S188 PolarHBondContact O-OG 3Å; R184-S188 VanDerWaalsContact O-OG 3.09Å; R184-R193 PolarHBondContact O-NH1 3.49Å; R184-A222 VanDerWaalsContact CZ-O 3.31Å; R184-A222 PolarHBondContact NE-O 3.3Å; R184-A222 PolarHBondContact NH2-O 3.24Å; R184-R225 PolarHBondContact NE-O 2.8Å; R184-R225 VanDerWaalsContact NE-O 3.12Å
185	R	72.1	Confident	73.4	Confident	107 Å²	107	52.7 Å²	52.7	40%	0.404	24%	0.238	S	C	.	.	H	α-helix	trans	-63	-40.2	178.9	-74.8	173.9	-175.7	-170.2	-0.3	112.7	K181 V182 T183 S188 E189 D200	K181-R185 VanDerWaalsContact O-CG 3.32Å; K181-R185 WeakPolarHBondContact O-CG 3.4Å; K181-R185 PolarHBondContact O-N 2.68Å; V182-R185 PolarHBondContact O-N 3.09Å; T183-R185 PolarHBondContact O-N 3.06Å; R185-S188 WeakPolarHBondContact CA-OG 3.2Å; R185-S188 PolarHBondContact O-N 3.15Å; R185-S188 PolarHBondContact O-OG 3.25Å; R185-E189 PolarHBondContact O-N 2.86Å; R185-D200 IonicContact CZ-OD2 3.17Å; R185-D200 IonicContact NE-OD2 3.26Å; R185-D200 PolarHBondContact NE-OD2 3.5Å; R185-D200 VanDerWaalsContact NE-OD2 3.17Å; R185-D200 IonicContact NH2-OD2 3.34Å; R185-D200 PolarHBondContact NH2-OD2 2.82Å
186	M	64.8	Low	74.3	Confident	84 Å²	84	56.6 Å²	56.6	41%	0.414	25%	0.251	S	S	.	.	H	α-helix	trans	-65	-42.2	176.2	-69.2	-171.5	-59.8	0	0	112.2	F55 V182 T183 R184 S188 E189	F55-M186 HydrophobicContact CB-CE 3.09Å; F55-M186 HydrophobicContact CB-SD 3.38Å; F55-M186 WeakPolarHBondContact CB-SD 3.19Å; F55-M186 HydrophobicContact CD1-CE 3.88Å; F55-M186 HydrophobicContact CD2-CE 3.79Å; F55-M186 HydrophobicContact CG-CE 3.34Å; F55-M186 HydrophobicContact CG-SD 4.19Å; V182-M186 WeakPolarHBondContact O-CG 3.22Å; V182-M186 PolarHBondContact O-N 3.13Å; T183-M186 HydrophobicContact CG2-CE 4.42Å; T183-M186 PolarHBondContact O-N 2.86Å; R184-M186 PolarHBondContact O-N 2.87Å; M186-S188 VanDerWaalsContact C-N 3.31Å; M186-S188 PolarHBondContact O-N 2.9Å; M186-E189 PolarHBondContact O-N 3.45Å
187	I	73.7	Confident	74.9	Confident	66 Å²	66	54.5 Å²	54.5	34%	0.338	25%	0.246	S	C	.	.	H	α-helix	trans	-72.3	-27.7	-178.2	-70.4	178.3	0	0	0	112.2	T183 R184 E189 Y224	T183-I187 HydrophobicContact CG2-CD1 4.28Å; T183-I187 WeakPolarHBondContact O-CG1 3.44Å; T183-I187 PolarHBondContact O-N 3.3Å; R184-I187 PolarHBondContact O-N 2.84Å; I187-E189 PolarHBondContact O-N 2.83Å; I187-Y224 VanDerWaalsContact CD1-CB 3.46Å; I187-Y224 HydrophobicContact CD1-CD2 3.29Å; I187-Y224 HydrophobicContact CD1-CE2 4.29Å; I187-Y224 HydrophobicContact CD1-CG 3.71Å
188	S	69.4	Low	75.7	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.014	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-11.2	169	49.9	0	0	0	0	113.7	R184 R185 M186 N190 K191 R193	R184-S188 PolarHBondContact O-N 3.29Å; R184-S188 PolarHBondContact O-OG 3Å; R184-S188 VanDerWaalsContact O-OG 3.09Å; R185-S188 WeakPolarHBondContact CA-OG 3.2Å; R185-S188 PolarHBondContact O-N 3.15Å; R185-S188 PolarHBondContact O-OG 3.25Å; M186-S188 VanDerWaalsContact C-N 3.31Å; M186-S188 PolarHBondContact O-N 2.9Å; S188-N190 PolarHBondContact O-N 3.23Å; S188-K191 VanDerWaalsContact CA-CE 3.44Å; S188-K191 WeakPolarHBondContact O-CB 3.32Å; S188-K191 WeakPolarHBondContact O-CE 3.36Å; S188-K191 VanDerWaalsContact O-CG 3.28Å; S188-K191 WeakPolarHBondContact O-CG 3.33Å; S188-K191 PolarHBondContact O-N 2.9Å; S188-R193 VanDerWaalsContact CB-NH1 3.3Å; S188-R193 WeakPolarHBondContact OG-CD 3.41Å; S188-R193 PolarHBondContact OG-NH1 3.23Å
189	E	77.6	Confident	76.6	Confident	75 Å²	75	46.9 Å²	46.9	35%	0.35	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	-127	-175.6	-55.2	-178.9	145.4	0	0	111.2	R185 M186 I187 K306 K345 Q347	R185-E189 PolarHBondContact O-N 2.86Å; M186-E189 PolarHBondContact O-N 3.45Å; I187-E189 PolarHBondContact O-N 2.83Å; E189-K306 IonicContact OE2-NZ 3.48Å; E189-K306 PolarHBondContact OE2-NZ 2.99Å; E189-K345 IonicContact OE1-NZ 3.35Å; E189-K345 PolarHBondContact OE1-NZ 2.97Å; E189-K345 WeakPolarHBondContact OE2-CE 3.48Å; E189-K345 IonicContact OE2-NZ 3.35Å; E189-K345 PolarHBondContact OE2-NZ 2.97Å; E189-Q347 PolarHBondContact OE2-NE2 3.1Å
190	N	75.6	Confident	77.6	Confident	5 Å²	5	46.1 Å²	46.1	3%	0.027	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	26.7	173.2	66.9	-43.2	0	0	0	112.8	S188 T338 D339 R342 S343 K345 Q347	S188-N190 PolarHBondContact O-N 3.23Å; N190-T338 WeakPolarHBondContact ND2-CG2 3.35Å; N190-D339 WeakPolarHBondContact O-CB 3.43Å; N190-D339 PolarHBondContact O-N 3.05Å; N190-R342 HydrophobicContact CB-CB 3.85Å; N190-S343 PolarHBondContact ND2-O 2.68Å; N190-K345 PolarHBondContact ND2-O 3.43Å; N190-Q347 WeakPolarHBondContact OD1-CG 3.47Å; N190-Q347 PolarHBondContact OD1-NE2 3.15Å
191	K	78.7	Confident	78.6	Confident	9 Å²	9	44.4 Å²	44.4	4%	0.039	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-68.7	143.5	168.9	-70.1	178.9	-74.8	167.6	0	110.6	S188 R193 D202 G304 K306 R337 Q347	S188-K191 VanDerWaalsContact CA-CE 3.44Å; S188-K191 WeakPolarHBondContact O-CB 3.32Å; S188-K191 WeakPolarHBondContact O-CE 3.36Å; S188-K191 VanDerWaalsContact O-CG 3.28Å; S188-K191 WeakPolarHBondContact O-CG 3.33Å; S188-K191 PolarHBondContact O-N 2.9Å; K191-R193 PolarHBondContact O-N 3.28Å; K191-D202 WeakPolarHBondContact CE-OD2 3.49Å; K191-D202 IonicContact NZ-OD1 2.97Å; K191-D202 IonicContact NZ-OD2 3.48Å; K191-D202 PolarHBondContact NZ-OD2 3.1Å; K191-G304 PolarHBondContact NZ-O 3.45Å; K191-K306 HydrophobicContact CD-CD 4.35Å; K191-K306 HydrophobicContact CD-CG 3.93Å; K191-R337 CarbonylContact C-O 3.6Å; K191-R337 WeakPolarHBondContact CA-O 3.09Å; K191-Q347 HydrophobicContact CG-CB 3.98Å; K191-Q347 HydrophobicContact CG-CG 3.87Å; K191-Q347 VanDerWaalsContact CG-OE1 3.26Å
192	R	80.4	Confident	79.7	Confident	53 Å²	53	40.9 Å²	40.9	20%	0.2	20%	0.204	C	C	.	.			trans	-64.1	120.8	173.9	-170.3	177.6	-65.1	-106.1	4.3	109.2	D29 T204 R336 R337	D29-R192 IonicContact OD2-NH1 3.88Å; D29-R192 PolarHBondContact OD2-NH1 2.76Å; R192-T204 HydrophobicContact CB-CG2 4.21Å; R192-T204 HydrophobicContact CG-CG2 4.38Å; R192-T204 PolarHBondContact O-OG1 3.11Å; R192-R336 PolarHBondContact NE-O 3.15Å; R192-R336 VanDerWaalsContact NE-O 3.17Å; R192-R337 PolarHBondContact N-O 2.86Å; R192-R337 PolarHBondContact O-NH1 3.25Å
193	R	87.4	Confident	81	Confident	21 Å²	21	40 Å²	40	8%	0.079	20%	0.199	C	C	.	.			trans	-104.3	147.9	177.4	-63.2	-179.9	70.6	78.3	12.1	109.3	R184 S188 K191 Q195 D200 L201	R184-R193 PolarHBondContact O-NH1 3.49Å; S188-R193 VanDerWaalsContact CB-NH1 3.3Å; S188-R193 WeakPolarHBondContact OG-CD 3.41Å; S188-R193 PolarHBondContact OG-NH1 3.23Å; K191-R193 PolarHBondContact O-N 3.28Å; R193-Q195 HydrophobicContact CB-CG 4.05Å; R193-D200 IonicContact CZ-OD1 3.91Å; R193-D200 IonicContact NE-OD1 3.86Å; R193-D200 PolarHBondContact NE-OD1 3.13Å; R193-D200 PolarHBondContact NH2-O 3.35Å; R193-D200 VanDerWaalsContact NH2-O 3.08Å; R193-D200 IonicContact NH2-OD1 2.9Å; R193-D200 PolarHBondContact NH2-OD1 3.4Å; R193-L201 CarbonylContact C-O 3.38Å; R193-L201 WeakPolarHBondContact CA-O 3.45Å; R193-L201 WeakPolarHBondContact CB-O 3.44Å
194	Y	88.1	Confident	82.2	Confident	3 Å²	3	39.6 Å²	39.6	1%	0.012	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-83.8	118.1	168.9	-166.1	-86.7	0	0	0	109.2	D28 R196 F199 D200 L201 L203 Y205 F234	D28-Y194 VanDerWaalsContact OD2-CE2 3.29Å; D28-Y194 WeakPolarHBondContact OD2-CE2 3.42Å; D28-Y194 PolarHBondContact OD2-OH 3.18Å; Y194-R196 HydrophobicContact CD1-CB 4.49Å; Y194-R196 HydrophobicContact CE1-CB 3.77Å; Y194-R196 WeakPolarHBondContact CE1-O 3.17Å; Y194-F199 HydrophobicContact CD1-CB 3.92Å; Y194-F199 HydrophobicContact CE1-CB 4.26Å; Y194-F199 HydrophobicContact CE1-CD2 4.47Å; Y194-D200 CarbonylContact O-C 3.59Å; Y194-D200 VanDerWaalsContact O-CA 3.26Å; Y194-D200 WeakPolarHBondContact O-CA 3.21Å; Y194-L201 PolarHBondContact N-O 3.21Å; Y194-L201 PolarHBondContact O-N 3.38Å; Y194-L203 HydrophobicContact CD2-CD2 4.43Å; Y194-L203 HydrophobicContact CG-CD2 4.49Å; Y194-L203 PolarHBondContact N-O 3.23Å; Y194-L203 VanDerWaalsContact N-O 3.16Å; Y194-Y205 HydrophobicContact CD2-CD2 4.34Å; Y194-Y205 HydrophobicContact CD2-CE2 4.15Å; Y194-Y205 HydrophobicContact CE2-CD2 4.29Å; Y194-Y205 AromaticContact CE2-CE2 3.88Å; Y194-Y205 HydrophobicContact CE2-CE2 3.88Å; Y194-F234 HydrophobicContact CD1-CD2 4.39Å; Y194-F234 AromaticContact CD1-CE2 3.7Å; Y194-F234 HydrophobicContact CD1-CE2 3.7Å; Y194-F234 HydrophobicContact CD1-CZ 4.46Å; Y194-F234 HydrophobicContact CD2-CE2 4.37Å; Y194-F234 HydrophobicContact CD2-CZ 4.4Å; Y194-F234 HydrophobicContact CE1-CD2 4.33Å; Y194-F234 AromaticContact CE1-CE2 3.52Å; Y194-F234 HydrophobicContact CE1-CE2 3.52Å; Y194-F234 HydrophobicContact CE1-CZ 4.39Å; Y194-F234 HydrophobicContact CE2-CE2 4.23Å; Y194-F234 HydrophobicContact CE2-CZ 4.34Å; Y194-F234 HydrophobicContact CG-CE2 4.12Å; Y194-F234 HydrophobicContact CG-CZ 4.45Å; Y194-F234 AromaticContact CZ-CE2 3.81Å
195	Q	84.5	Confident	83	Confident	65 Å²	65	39.2 Å²	39.2	30%	0.304	20%	0.195	S	C	.	.			trans	-132.6	43.5	-172.9	-61	-167	-57.4	0	0	112.2	G30 R193 F199 D200	G30-Q195 CarbonylContact O-C 3.31Å; G30-Q195 VanDerWaalsContact O-C 3.31Å; G30-Q195 WeakPolarHBondContact O-CA 3.05Å; G30-Q195 PolarHBondContact O-N 3.3Å; R193-Q195 HydrophobicContact CB-CG 4.05Å; Q195-F199 CarbonylContact C-O 3.59Å; Q195-F199 WeakPolarHBondContact CA-O 3.37Å; Q195-D200 PolarHBondContact NE2-OD1 3.32Å; Q195-D200 PolarHBondContact NE2-OD2 2.8Å; Q195-D200 VanDerWaalsContact NE2-OD2 3.11Å
196	R	84.4	Confident	84.1	Confident	109 Å²	109	34.1 Å²	34.1	41%	0.411	18%	0.176	S	C	.	.	S	Bend	trans	-128.3	158.2	-177.8	-168.7	-178.5	173.8	169	5.7	110.7	D28 Y194 G198 F199	D28-R196 IonicContact OD1-NH1 2.72Å; D28-R196 PolarHBondContact OD1-NH1 2.81Å; Y194-R196 HydrophobicContact CD1-CB 4.49Å; Y194-R196 HydrophobicContact CE1-CB 3.77Å; Y194-R196 WeakPolarHBondContact CE1-O 3.17Å; R196-G198 PolarHBondContact O-N 3.28Å; R196-G198 VanDerWaalsContact O-N 3.15Å; R196-F199 PolarHBondContact N-O 3.32Å; R196-F199 WeakPolarHBondContact O-CB 3.45Å; R196-F199 PolarHBondContact O-N 3.28Å
197	D	83.3	Confident	85.5	Confident	80 Å²	80	30.7 Å²	30.7	43%	0.428	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	35.1	173.9	-53.6	-38.2	0	0	0	114.2	F199 K238	D197-F199 VanDerWaalsContact C-N 3.3Å; D197-F199 HydrophobicContact CB-CD2 4.17Å; D197-F199 HydrophobicContact CB-CE2 4.41Å; D197-F199 VanDerWaalsContact O-CD2 3.26Å; D197-F199 WeakPolarHBondContact O-CD2 3.11Å; D197-F199 PolarHBondContact O-N 2.73Å; D197-K238 WeakPolarHBondContact OD2-CE 3.29Å; D197-K238 IonicContact OD2-NZ 2.62Å; D197-K238 PolarHBondContact OD2-NZ 2.81Å
198	G	82.8	Confident	86.4	Confident	69 Å²	69	31.5 Å²	31.5	71%	0.711	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.7	14.7	-179.3	0	0	0	0	0	114.8	R196 R233	R196-G198 PolarHBondContact O-N 3.28Å; R196-G198 VanDerWaalsContact O-N 3.15Å; G198-R233 PolarHBondContact O-NH2 3.06Å
199	F	87	Confident	87.7	Confident	9 Å²	9	35.2 Å²	35.2	4%	0.039	18%	0.178	C	C	.	.			trans	-102.9	141.1	172.1	-62.5	-84.5	0	0	0	110.8	Y194 Q195 R196 D197 L201 R233 F234	Y194-F199 HydrophobicContact CD1-CB 3.92Å; Y194-F199 HydrophobicContact CE1-CB 4.26Å; Y194-F199 HydrophobicContact CE1-CD2 4.47Å; Q195-F199 CarbonylContact C-O 3.59Å; Q195-F199 WeakPolarHBondContact CA-O 3.37Å; R196-F199 PolarHBondContact N-O 3.32Å; R196-F199 WeakPolarHBondContact O-CB 3.45Å; R196-F199 PolarHBondContact O-N 3.28Å; D197-F199 VanDerWaalsContact C-N 3.3Å; D197-F199 HydrophobicContact CB-CD2 4.17Å; D197-F199 HydrophobicContact CB-CE2 4.41Å; D197-F199 VanDerWaalsContact O-CD2 3.26Å; D197-F199 WeakPolarHBondContact O-CD2 3.11Å; D197-F199 PolarHBondContact O-N 2.73Å; F199-L201 HydrophobicContact CD1-CD1 4.18Å; F199-R233 HydrophobicContact CE1-CB 4.38Å; F199-R233 HydrophobicContact CE1-CG 4.18Å; F199-R233 VanDerWaalsContact CE1-NH1 3.28Å; F199-R233 HydrophobicContact CZ-CG 4.35Å; F199-R233 VanDerWaalsContact CZ-CZ 3.41Å; F199-F234 HydrophobicContact CB-CD2 4.33Å; F199-F234 HydrophobicContact CD1-CB 3.78Å; F199-F234 AromaticContact CD1-CD2 3.86Å; F199-F234 HydrophobicContact CD1-CD2 3.86Å; F199-F234 HydrophobicContact CD1-CG 4.31Å; F199-F234 AromaticContact CD2-CD2 3.86Å; F199-F234 HydrophobicContact CD2-CD2 3.86Å; F199-F234 HydrophobicContact CE1-CB 3.49Å; F199-F234 VanDerWaalsContact CE1-CB 3.49Å; F199-F234 HydrophobicContact CE1-CD2 4.03Å; F199-F234 HydrophobicContact CE1-CG 4.28Å; F199-F234 HydrophobicContact CE2-CD2 4.06Å; F199-F234 AromaticContact CG-CD2 3.75Å; F199-F234 HydrophobicContact CG-CD2 3.75Å; F199-F234 HydrophobicContact CZ-CB 4.06Å; F199-F234 HydrophobicContact CZ-CD2 4.12Å
200	D	87.6	Confident	88.7	Confident	33 Å²	33	31.7 Å²	31.7	18%	0.176	16%	0.162	C	C	.	.			trans	-132.5	85.9	166.9	-172.7	-21.6	0	0	0	108.3	R185 R193 Y194 Q195	R185-D200 IonicContact CZ-OD2 3.17Å; R185-D200 IonicContact NE-OD2 3.26Å; R185-D200 PolarHBondContact NE-OD2 3.5Å; R185-D200 VanDerWaalsContact NE-OD2 3.17Å; R185-D200 IonicContact NH2-OD2 3.34Å; R185-D200 PolarHBondContact NH2-OD2 2.82Å; R193-D200 IonicContact CZ-OD1 3.91Å; R193-D200 IonicContact NE-OD1 3.86Å; R193-D200 PolarHBondContact NE-OD1 3.13Å; R193-D200 PolarHBondContact NH2-O 3.35Å; R193-D200 VanDerWaalsContact NH2-O 3.08Å; R193-D200 IonicContact NH2-OD1 2.9Å; R193-D200 PolarHBondContact NH2-OD1 3.4Å; Y194-D200 CarbonylContact O-C 3.59Å; Y194-D200 VanDerWaalsContact O-CA 3.26Å; Y194-D200 WeakPolarHBondContact O-CA 3.21Å; Q195-D200 PolarHBondContact NE2-OD1 3.32Å; Q195-D200 PolarHBondContact NE2-OD2 2.8Å; Q195-D200 VanDerWaalsContact NE2-OD2 3.11Å
201	L	91.2	Very high	89.8	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.01	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-120.7	140.9	-172.5	-65.8	174.9	0	0	0	111.1	R193 Y194 F199 L203 N226 E230 V231 F234	R193-L201 CarbonylContact C-O 3.38Å; R193-L201 WeakPolarHBondContact CA-O 3.45Å; R193-L201 WeakPolarHBondContact CB-O 3.44Å; Y194-L201 PolarHBondContact N-O 3.21Å; Y194-L201 PolarHBondContact O-N 3.38Å; F199-L201 HydrophobicContact CD1-CD1 4.18Å; L201-L203 HydrophobicContact CB-CB 3.88Å; L201-L203 HydrophobicContact CD1-CD1 4.46Å; L201-L203 PolarHBondContact O-N 2.75Å; L201-N226 HydrophobicContact CD2-CB 4.17Å; L201-E230 HydrophobicContact CD2-CB 4.04Å; L201-V231 HydrophobicContact CD1-CG2 4.41Å; L201-V231 HydrophobicContact CD2-CG2 4.1Å; L201-F234 HydrophobicContact CD1-CB 3.77Å; L201-F234 HydrophobicContact CD1-CD2 4.31Å; L201-F234 HydrophobicContact CD1-CG 4Å
202	D	92.6	Very high	90.7	Very high	4 Å²	4	31 Å²	31	2%	0.021	16%	0.159	C	C	.	.	S	Bend	trans	-74.9	79	165	-173.9	4.6	0	0	0	108.9	K191 M213 S214 N226 R337	K191-D202 WeakPolarHBondContact CE-OD2 3.49Å; K191-D202 IonicContact NZ-OD1 2.97Å; K191-D202 IonicContact NZ-OD2 3.48Å; K191-D202 PolarHBondContact NZ-OD2 3.1Å; D202-M213 WeakPolarHBondContact O-CA 3.46Å; D202-M213 WeakPolarHBondContact O-CB 3.37Å; D202-S214 PolarHBondContact O-N 3.36Å; D202-S214 VanDerWaalsContact OD2-CB 3.31Å; D202-S214 WeakPolarHBondContact OD2-CB 3.23Å; D202-N226 WeakPolarHBondContact CB-OD1 3.19Å; D202-N226 PolarHBondContact N-OD1 3.31Å; D202-N226 PolarHBondContact O-ND2 3.36Å; D202-R337 IonicContact OD1-CZ 2.82Å; D202-R337 VanDerWaalsContact OD1-CZ 3.27Å; D202-R337 IonicContact OD1-NH1 2.59Å; D202-R337 PolarHBondContact OD1-NH1 3.22Å; D202-R337 IonicContact OD1-NH2 3.32Å; D202-R337 PolarHBondContact OD1-NH2 3.48Å; D202-R337 IonicContact OD2-NH2 3.99Å
203	L	94.1	Very high	91.4	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	137.6	-170.9	-176.1	151.2	0	0	0	107.6	Y194 L201 Y205 I211 A212 M213 F234	Y194-L203 HydrophobicContact CD2-CD2 4.43Å; Y194-L203 HydrophobicContact CG-CD2 4.49Å; Y194-L203 PolarHBondContact N-O 3.23Å; Y194-L203 VanDerWaalsContact N-O 3.16Å; L201-L203 HydrophobicContact CB-CB 3.88Å; L201-L203 HydrophobicContact CD1-CD1 4.46Å; L201-L203 PolarHBondContact O-N 2.75Å; L203-Y205 HydrophobicContact CD2-CD2 4.46Å; L203-Y205 HydrophobicContact CD2-CE2 4.28Å; L203-I211 HydrophobicContact CD1-CG2 3.92Å; L203-I211 HydrophobicContact CD2-CG2 3.76Å; L203-I211 HydrophobicContact CG-CG2 3.53Å; L203-A212 CarbonylContact C-O 3.54Å; L203-M213 HydrophobicContact CB-CB 4.09Å; L203-M213 HydrophobicContact CD1-CB 4.36Å; L203-M213 HydrophobicContact CD1-SD 4.23Å; L203-M213 HydrophobicContact CG-CB 4.1Å; L203-F234 HydrophobicContact CD1-CD1 3.7Å; L203-F234 HydrophobicContact CD1-CE1 3.59Å; L203-F234 HydrophobicContact CD1-CG 4.49Å; L203-F234 HydrophobicContact CD1-CZ 4.29Å; L203-F234 HydrophobicContact CD2-CE1 3.83Å; L203-F234 HydrophobicContact CD2-CZ 3.85Å; L203-F234 HydrophobicContact CG-CE1 4.4Å
204	T	94.1	Very high	91.7	Very high	4 Å²	4	27.7 Å²	27.7	3%	0.025	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	128.6	-178.4	-53.6	0	0	0	0	109.4	R192 V206 I211 A212 R337	R192-T204 HydrophobicContact CB-CG2 4.21Å; R192-T204 HydrophobicContact CG-CG2 4.38Å; R192-T204 PolarHBondContact O-OG1 3.11Å; T204-V206 PolarHBondContact O-N 3.45Å; T204-I211 WeakPolarHBondContact O-CA 3.27Å; T204-A212 PolarHBondContact N-O 3.23Å; T204-A212 PolarHBondContact O-N 3.24Å; T204-R337 PolarHBondContact OG1-NH1 2.93Å
205	Y	94.7	Very high	92	Very high	22 Å²	22	28 Å²	28	9%	0.086	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	109	161	-73.1	-86.6	0	0	0	108.2	Y194 L203 I211 F234 H239	Y194-Y205 HydrophobicContact CD2-CD2 4.34Å; Y194-Y205 HydrophobicContact CD2-CE2 4.15Å; Y194-Y205 HydrophobicContact CE2-CD2 4.29Å; Y194-Y205 AromaticContact CE2-CE2 3.88Å; Y194-Y205 HydrophobicContact CE2-CE2 3.88Å; L203-Y205 HydrophobicContact CD2-CD2 4.46Å; L203-Y205 HydrophobicContact CD2-CE2 4.28Å; Y205-I211 HydrophobicContact CD1-CD1 4.15Å; Y205-I211 HydrophobicContact CD1-CG1 3.6Å; Y205-I211 HydrophobicContact CE1-CD1 3.52Å; Y205-I211 HydrophobicContact CE1-CG1 3.51Å; Y205-I211 HydrophobicContact CG-CG1 4.26Å; Y205-F234 AromaticContact CE2-CZ 3.88Å; Y205-F234 HydrophobicContact CE2-CZ 3.88Å; Y205-F234 WeakPolarHBondContact OH-CZ 3.01Å; Y205-H239 AromaticContact CE1-NE2 3.69Å; Y205-H239 AromaticContact CZ-NE2 3.65Å; Y205-H239 PolarHBondContact OH-NE2 2.72Å
206	V	94.4	Very high	92.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	-41.4	171.3	178	0	0	0	0	108.6	T204 V210 A212 V313 L317 Y332 F333 R336	T204-V206 PolarHBondContact O-N 3.45Å; V206-V210 HydrophobicContact CB-CG1 4.37Å; V206-V210 PolarHBondContact N-O 2.98Å; V206-A212 HydrophobicContact CG2-CB 3.67Å; V206-V313 HydrophobicContact CB-CG1 4.31Å; V206-V313 HydrophobicContact CG1-CG1 3.83Å; V206-V313 HydrophobicContact CG2-CG1 4.2Å; V206-L317 HydrophobicContact CG1-CD1 4.29Å; V206-Y332 HydrophobicContact CG1-CD1 4.26Å; V206-Y332 HydrophobicContact CG1-CE1 3.69Å; V206-Y332 PolarHBondContact O-OH 2.99Å; V206-F333 HydrophobicContact CG1-CD2 4.29Å; V206-F333 HydrophobicContact CG2-CD2 3.92Å; V206-F333 HydrophobicContact CG2-CE2 3.93Å; V206-R336 PolarHBondContact O-NH1 3.26Å
207	T	93.9	Very high	92.7	Very high	13 Å²	13	19.8 Å²	19.8	8%	0.08	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	176	164.4	74	0	0	0	0	107.9	R209 V210 L317 Y332	T207-R209 PolarHBondContact O-N 3.25Å; T207-R209 PolarHBondContact OG1-N 3.48Å; T207-V210 PolarHBondContact N-O 3.31Å; T207-V210 PolarHBondContact O-N 3.06Å; T207-V210 WeakPolarHBondContact OG1-CB 3.46Å; T207-V210 WeakPolarHBondContact OG1-CG2 3.29Å; T207-V210 PolarHBondContact OG1-N 3.15Å; T207-L317 HydrophobicContact CG2-CD2 3.92Å; T207-Y332 HydrophobicContact CG2-CE1 4.4Å
208	D	93.8	Very high	92.8	Very high	83 Å²	83	19.7 Å²	19.7	44%	0.444	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-25	179.8	-59.7	-24.9	0	0	0	113.4
209	R	96.8	Very high	92.9	Very high	79 Å²	79	19.6 Å²	19.6	30%	0.298	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116	4	-177.4	-55.7	178	60.4	-173.4	1.9	114.5	T207 M290 D293 P294 N296 I297 I298	T207-R209 PolarHBondContact O-N 3.25Å; T207-R209 PolarHBondContact OG1-N 3.48Å; R209-M290 HydrophobicContact CB-CE 3.84Å; R209-M290 PolarHBondContact NH2-O 3.38Å; R209-M290 VanDerWaalsContact NH2-O 3.09Å; R209-D293 PolarHBondContact NH2-O 3.38Å; R209-D293 VanDerWaalsContact NH2-O 3.15Å; R209-P294 PolarHBondContact NE-O 2.81Å; R209-P294 VanDerWaalsContact NE-O 3.17Å; R209-P294 PolarHBondContact NH1-O 2.94Å; R209-P294 PolarHBondContact NH2-O 3.32Å; R209-N296 VanDerWaalsContact CZ-O 3.22Å; R209-N296 PolarHBondContact NE-O 2.89Å; R209-N296 PolarHBondContact NH2-O 3.27Å; R209-I297 HydrophobicContact CB-CB 4.4Å; R209-I297 HydrophobicContact CB-CG2 3.92Å; R209-I297 HydrophobicContact CG-CG2 4.11Å; R209-I297 WeakPolarHBondContact O-CA 3.44Å; R209-I297 WeakPolarHBondContact O-CB 3.33Å; R209-I298 PolarHBondContact O-N 2.7Å
210	V	98.2	Very high	92.2	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	112	-178.6	-176.8	0	0	0	0	109.9	V206 T207 I298 I300 V313	V206-V210 HydrophobicContact CB-CG1 4.37Å; V206-V210 PolarHBondContact N-O 2.98Å; T207-V210 PolarHBondContact N-O 3.31Å; T207-V210 PolarHBondContact O-N 3.06Å; T207-V210 WeakPolarHBondContact OG1-CB 3.46Å; T207-V210 WeakPolarHBondContact OG1-CG2 3.29Å; T207-V210 PolarHBondContact OG1-N 3.15Å; V210-I298 HydrophobicContact CB-CG1 4.44Å; V210-I298 HydrophobicContact CG1-CD1 4.37Å; V210-I298 HydrophobicContact CG1-CG1 4.23Å; V210-I298 HydrophobicContact CG2-CD1 4.26Å; V210-I298 HydrophobicContact CG2-CG1 4.18Å; V210-I300 HydrophobicContact CG1-CD1 4.13Å; V210-V313 HydrophobicContact CG1-CG1 4.16Å; V210-V313 HydrophobicContact CG1-CG2 4.27Å
211	I	98.1	Very high	91.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	132.2	178.9	-65	173.1	0	0	0	110.1	L203 T204 Y205 M213 F234 L235 I297 I298 A299 I300	L203-I211 HydrophobicContact CD1-CG2 3.92Å; L203-I211 HydrophobicContact CD2-CG2 3.76Å; L203-I211 HydrophobicContact CG-CG2 3.53Å; T204-I211 WeakPolarHBondContact O-CA 3.27Å; Y205-I211 HydrophobicContact CD1-CD1 4.15Å; Y205-I211 HydrophobicContact CD1-CG1 3.6Å; Y205-I211 HydrophobicContact CE1-CD1 3.52Å; Y205-I211 HydrophobicContact CE1-CG1 3.51Å; Y205-I211 HydrophobicContact CG-CG1 4.26Å; I211-M213 HydrophobicContact CG2-CB 4.46Å; I211-F234 HydrophobicContact CD1-CE1 4.24Å; I211-L235 HydrophobicContact CD1-CD2 4.13Å; I211-I297 HydrophobicContact CD1-CD1 3.93Å; I211-I298 PolarHBondContact N-O 3.09Å; I211-A299 HydrophobicContact CB-CB 4.16Å; I211-A299 HydrophobicContact CG2-CB 4.33Å; I211-I300 PolarHBondContact O-N 2.66Å
212	A	97.1	Very high	90.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.1	165.9	0	0	0	0	0	109.9	L203 T204 V206 T309 V313 F333	L203-A212 CarbonylContact C-O 3.54Å; T204-A212 PolarHBondContact N-O 3.23Å; T204-A212 PolarHBondContact O-N 3.24Å; V206-A212 HydrophobicContact CG2-CB 3.67Å; A212-T309 HydrophobicContact CB-CG2 3.71Å; A212-V313 HydrophobicContact CB-CG2 4.41Å; A212-F333 HydrophobicContact CB-CE2 3.86Å; A212-F333 HydrophobicContact CB-CZ 4.44Å
213	M	95.9	Very high	89.4	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	164.8	-179.1	67.3	-178.9	175.7	0	0	113.6	D202 L203 I211 V231 V245 A299 I300 H301 G305	D202-M213 WeakPolarHBondContact O-CA 3.46Å; D202-M213 WeakPolarHBondContact O-CB 3.37Å; L203-M213 HydrophobicContact CB-CB 4.09Å; L203-M213 HydrophobicContact CD1-CB 4.36Å; L203-M213 HydrophobicContact CD1-SD 4.23Å; L203-M213 HydrophobicContact CG-CB 4.1Å; I211-M213 HydrophobicContact CG2-CB 4.46Å; M213-V231 HydrophobicContact CE-CG1 4.1Å; M213-V231 HydrophobicContact SD-CG1 3.66Å; M213-V245 HydrophobicContact CE-CG1 3.93Å; M213-A299 HydrophobicContact CE-CB 3.97Å; M213-I300 PolarHBondContact N-O 2.97Å; M213-H301 HydrophobicContact CE-CB 4.07Å; M213-H301 HydrophobicContact CG-CB 3.57Å; M213-H301 WeakPolarHBondContact O-CA 3.36Å; M213-H301 VanDerWaalsContact O-CB 3.28Å; M213-H301 WeakPolarHBondContact O-CB 3.48Å; M213-G305 VanDerWaalsContact O-CA 3.24Å; M213-G305 WeakPolarHBondContact O-CA 3.34Å
214	S	93.3	Very high	88.2	Confident	5 Å²	5	36.7 Å²	36.7	4%	0.035	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-80	164.7	169	82	0	0	0	0	112.2	D202 N226	D202-S214 PolarHBondContact O-N 3.36Å; D202-S214 VanDerWaalsContact OD2-CB 3.31Å; D202-S214 WeakPolarHBondContact OD2-CB 3.23Å; S214-N226 PolarHBondContact OG-ND2 3.18Å; S214-N226 VanDerWaalsContact OG-ND2 3.12Å
215	F	95	Very high	87.7	Confident	9 Å²	9	37.9 Å²	37.9	4%	0.039	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-53.7	124.2	-177.4	-168.5	-98.7	0	0	0	113.2	S217 R252 Y254 H301 C302 K303	F215-S217 PolarHBondContact O-N 3.19Å; F215-R252 HydrophobicContact CE2-CB 3.63Å; F215-R252 HydrophobicContact CZ-CB 3.65Å; F215-R252 HydrophobicContact CZ-CG 4.42Å; F215-Y254 HydrophobicContact CE1-CD1 4.39Å; F215-Y254 HydrophobicContact CE2-CD1 4.04Å; F215-Y254 HydrophobicContact CE2-CE1 4.09Å; F215-Y254 AromaticContact CZ-CD1 3.72Å; F215-Y254 HydrophobicContact CZ-CD1 3.72Å; F215-Y254 HydrophobicContact CZ-CE1 4.24Å; F215-H301 AromaticContact CD2-CE1 3.66Å; F215-H301 AromaticContact CD2-ND1 3.8Å; F215-H301 AromaticContact CE2-CE1 3.97Å; F215-C302 WeakPolarHBondContact CA-O 3.39Å; F215-C302 VanDerWaalsContact CB-O 3.28Å; F215-C302 WeakPolarHBondContact CB-O 3.26Å; F215-C302 PolarHBondContact N-O 3.15Å; F215-K303 PolarHBondContact N-O 3.35Å
216	P	94	Very high	87.4	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-73.2	119.9	171.5	30.8	-32.4	0	0	0	109.4	I228 V231 Y254 F259	P216-I228 HydrophobicContact CB-CB 4.07Å; P216-I228 HydrophobicContact CB-CD1 4.26Å; P216-I228 HydrophobicContact CB-CG1 3.94Å; P216-V231 HydrophobicContact CB-CB 4.33Å; P216-V231 HydrophobicContact CB-CG1 4.49Å; P216-V231 HydrophobicContact CB-CG2 4.17Å; P216-Y254 HydrophobicContact CG-CD1 3.97Å; P216-Y254 HydrophobicContact CG-CE1 3.39Å; P216-F259 HydrophobicContact CB-CZ 4.12Å; P216-F259 HydrophobicContact CG-CE2 4.19Å; P216-F259 HydrophobicContact CG-CZ 4.14Å
217	S	89.9	Confident	87.3	Confident	1 Å²	1	37 Å²	37	1%	0.007	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-119.6	152.4	-165.8	63.7	0	0	0	0	112.8	F215 Q221 A222 R225 N226 I228	F215-S217 PolarHBondContact O-N 3.19Å; S217-Q221 PolarHBondContact OG-O 2.95Å; S217-A222 VanDerWaalsContact OG-CA 3.26Å; S217-A222 WeakPolarHBondContact OG-CA 3.46Å; S217-A222 PolarHBondContact OG-N 3.35Å; S217-R225 WeakPolarHBondContact OG-CB 3.34Å; S217-N226 PolarHBondContact N-O 2.95Å; S217-N226 PolarHBondContact OG-O 3.2Å; S217-I228 PolarHBondContact O-N 2.66Å
218	S	85.7	Confident	87.4	Confident	78 Å²	78	36.7 Å²	36.7	55%	0.545	19%	0.193	S	C	.	.			trans	-119.6	170.5	174.3	62.4	0	0	0	0	111.1	Q221	S218-Q221 PolarHBondContact O-N 3.14Å
219	G	83.1	Confident	87.5	Confident	68 Å²	68	38.1 Å²	38.1	70%	0.701	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	59.1	-139.7	176.8	0	0	0	0	0	113.4	Q221 A222	G219-Q221 PolarHBondContact O-N 2.86Å; G219-A222 WeakPolarHBondContact O-CB 3.22Å; G219-A222 PolarHBondContact O-N 3.18Å
220	K	72.8	Confident	87.4	Confident	196 Å²	196	36.7 Å²	36.7	85%	0.852	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-63.3	-26.3	-177.2	-63.7	-177.1	-178.4	179	0	113.4	A222 F223	K220-A222 VanDerWaalsContact C-N 3.31Å; K220-A222 PolarHBondContact O-N 3.25Å; K220-F223 VanDerWaalsContact O-CB 3.26Å; K220-F223 WeakPolarHBondContact O-CB 3.35Å; K220-F223 PolarHBondContact O-N 3.42Å
221	Q	74.1	Confident	87.3	Confident	62 Å²	62	36.6 Å²	36.6	29%	0.29	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-72.2	-26.5	-179.1	-63	-169.3	-4.3	0	0	112.7	S217 S218 G219 F223 Y224 R225 R252	S217-Q221 PolarHBondContact OG-O 2.95Å; S218-Q221 PolarHBondContact O-N 3.14Å; G219-Q221 PolarHBondContact O-N 2.86Å; Q221-F223 PolarHBondContact O-N 3.28Å; Q221-F223 VanDerWaalsContact O-N 3.15Å; Q221-Y224 HydrophobicContact CB-CE1 4.16Å; Q221-Y224 HydrophobicContact CG-CE1 4.18Å; Q221-Y224 WeakPolarHBondContact CG-OH 3.4Å; Q221-Y224 PolarHBondContact O-N 3.38Å; Q221-R225 PolarHBondContact O-N 3.25Å; Q221-R252 VanDerWaalsContact OE1-NH1 3.11Å
222	A	73.8	Confident	87.3	Confident	14 Å²	14	37 Å²	37	12%	0.116	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-63.6	-17.4	174.9	0	0	0	0	0	113.1	R184 S217 G219 K220 Y224 R225 P227	R184-A222 VanDerWaalsContact CZ-O 3.31Å; R184-A222 PolarHBondContact NE-O 3.3Å; R184-A222 PolarHBondContact NH2-O 3.24Å; S217-A222 VanDerWaalsContact OG-CA 3.26Å; S217-A222 WeakPolarHBondContact OG-CA 3.46Å; S217-A222 PolarHBondContact OG-N 3.35Å; G219-A222 WeakPolarHBondContact O-CB 3.22Å; G219-A222 PolarHBondContact O-N 3.18Å; K220-A222 VanDerWaalsContact C-N 3.31Å; K220-A222 PolarHBondContact O-N 3.25Å; A222-Y224 PolarHBondContact O-N 2.87Å; A222-R225 VanDerWaalsContact O-O 3.12Å; A222-P227 HydrophobicContact CB-CB 4.24Å; A222-P227 HydrophobicContact CB-CG 4.48Å
223	F	64.6	Low	87.3	Confident	61 Å²	61	41.4 Å²	41.4	27%	0.268	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-60.3	-31.2	172.8	-171.6	-92	0	0	0	112.1	L179 E180 T183 K220 Q221	L179-F223 HydrophobicContact CB-CZ 4.35Å; L179-F223 HydrophobicContact CD2-CZ 3.87Å; L179-F223 HydrophobicContact CG-CZ 3.83Å; E180-F223 HydrophobicContact CB-CD2 4.47Å; E180-F223 HydrophobicContact CB-CE2 4.44Å; E180-F223 HydrophobicContact CG-CD2 3.24Å; E180-F223 HydrophobicContact CG-CE2 3.33Å; E180-F223 HydrophobicContact CG-CG 3.94Å; E180-F223 HydrophobicContact CG-CZ 4.12Å; T183-F223 HydrophobicContact CG2-CD1 4.15Å; T183-F223 HydrophobicContact CG2-CE1 4.11Å; T183-F223 WeakPolarHBondContact OG1-CE1 3.32Å; K220-F223 VanDerWaalsContact O-CB 3.26Å; K220-F223 WeakPolarHBondContact O-CB 3.35Å; K220-F223 PolarHBondContact O-N 3.42Å; Q221-F223 PolarHBondContact O-N 3.28Å; Q221-F223 VanDerWaalsContact O-N 3.15Å
224	Y	69.3	Low	87.4	Confident	74 Å²	74	41.4 Å²	41.4	29%	0.29	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.6	-3.8	-167.3	73.4	-107.4	0	0	0	113.6	I187 Q221 A222	I187-Y224 VanDerWaalsContact CD1-CB 3.46Å; I187-Y224 HydrophobicContact CD1-CD2 3.29Å; I187-Y224 HydrophobicContact CD1-CE2 4.29Å; I187-Y224 HydrophobicContact CD1-CG 3.71Å; Q221-Y224 HydrophobicContact CB-CE1 4.16Å; Q221-Y224 HydrophobicContact CG-CE1 4.18Å; Q221-Y224 WeakPolarHBondContact CG-OH 3.4Å; Q221-Y224 PolarHBondContact O-N 3.38Å; A222-Y224 PolarHBondContact O-N 2.87Å
225	R	83.5	Confident	87.6	Confident	29 Å²	29	41.2 Å²	41.2	11%	0.109	21%	0.212	C	C	.	.	S	Bend	trans	-125.9	177.9	172.1	-74.3	179.6	174.8	-115.1	-13.7	111.1	R184 S217 Q221 A222 P227 K303	R184-R225 PolarHBondContact NE-O 2.8Å; R184-R225 VanDerWaalsContact NE-O 3.12Å; S217-R225 WeakPolarHBondContact OG-CB 3.34Å; Q221-R225 PolarHBondContact O-N 3.25Å; A222-R225 VanDerWaalsContact O-O 3.12Å; R225-P227 VanDerWaalsContact O-CD 3.32Å; R225-P227 WeakPolarHBondContact O-CD 3.26Å; R225-K303 VanDerWaalsContact NH1-C 3.34Å; R225-K303 PolarHBondContact NH1-O 3.4Å; R225-K303 VanDerWaalsContact NH2-CG 3.28Å
226	N	88.8	Confident	87.7	Confident	1 Å²	1	43 Å²	43	1%	0.005	22%	0.222	C	C	.	.			trans	-57.5	122	174.5	-70.1	-7.7	0	0	0	109.9	L201 D202 S214 S217 I228 V231	L201-N226 HydrophobicContact CD2-CB 4.17Å; D202-N226 WeakPolarHBondContact CB-OD1 3.19Å; D202-N226 PolarHBondContact N-OD1 3.31Å; D202-N226 PolarHBondContact O-ND2 3.36Å; S214-N226 PolarHBondContact OG-ND2 3.18Å; S214-N226 VanDerWaalsContact OG-ND2 3.12Å; S217-N226 PolarHBondContact N-O 2.95Å; S217-N226 PolarHBondContact OG-O 3.2Å; N226-I228 PolarHBondContact O-N 3.39Å; N226-V231 HydrophobicContact CB-CG2 3.71Å
227	P	92.4	Very high	87.8	Confident	4 Å²	4	47.4 Å²	47.4	3%	0.026	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-66.4	129.5	170.5	-18	32.1	0	0	0	109.9	A222 R225 H229 E230 V231	A222-P227 HydrophobicContact CB-CB 4.24Å; A222-P227 HydrophobicContact CB-CG 4.48Å; R225-P227 VanDerWaalsContact O-CD 3.32Å; R225-P227 WeakPolarHBondContact O-CD 3.26Å; P227-H229 VanDerWaalsContact C-N 3.26Å; P227-H229 WeakPolarHBondContact CB-CE1 3.48Å; P227-H229 PolarHBondContact O-N 3.5Å; P227-E230 HydrophobicContact CB-CB 4.24Å; P227-E230 HydrophobicContact CB-CG 4.14Å; P227-E230 HydrophobicContact CG-CB 4.49Å; P227-E230 HydrophobicContact CG-CG 4.24Å; P227-E230 PolarHBondContact O-N 2.92Å; P227-V231 PolarHBondContact O-N 2.64Å; P227-V231 VanDerWaalsContact O-N 3.11Å
228	I	95.3	Very high	88.1	Confident	6 Å²	6	51.1 Å²	51.1	3%	0.031	27%	0.265	C	S	.	.	H	α-helix	trans	-59.3	-36.3	-175.8	-172.4	158	0	0	0	112.8	P216 S217 N226 E230 V231 A232 Y254 F258 F259	P216-I228 HydrophobicContact CB-CB 4.07Å; P216-I228 HydrophobicContact CB-CD1 4.26Å; P216-I228 HydrophobicContact CB-CG1 3.94Å; S217-I228 PolarHBondContact O-N 2.66Å; N226-I228 PolarHBondContact O-N 3.39Å; I228-E230 VanDerWaalsContact C-N 3.33Å; I228-E230 PolarHBondContact O-N 2.83Å; I228-V231 PolarHBondContact O-N 2.94Å; I228-A232 WeakPolarHBondContact O-CB 3.44Å; I228-A232 PolarHBondContact O-N 2.91Å; I228-Y254 HydrophobicContact CD1-CD1 4.24Å; I228-Y254 HydrophobicContact CD1-CD2 3.78Å; I228-Y254 HydrophobicContact CD1-CE2 4.46Å; I228-Y254 HydrophobicContact CD1-CG 3.66Å; I228-F258 HydrophobicContact CD1-CB 3.98Å; I228-F258 HydrophobicContact CD1-CD2 3.6Å; I228-F258 HydrophobicContact CD1-CE2 4.27Å; I228-F258 HydrophobicContact CD1-CG 3.83Å; I228-F258 HydrophobicContact CG1-CB 3.99Å; I228-F258 HydrophobicContact CG1-CD1 4.27Å; I228-F258 HydrophobicContact CG1-CD2 4.11Å; I228-F258 HydrophobicContact CG1-CG 3.87Å; I228-F258 HydrophobicContact CG2-CD1 4.32Å; I228-F258 HydrophobicContact CG2-CD2 4.48Å; I228-F258 HydrophobicContact CG2-CE1 4.14Å; I228-F258 HydrophobicContact CG2-CE2 4.32Å; I228-F258 HydrophobicContact CG2-CZ 4.14Å; I228-F259 HydrophobicContact CD1-CE2 3.87Å; I228-F259 HydrophobicContact CD1-CZ 4.28Å; I228-F259 HydrophobicContact CG1-CE2 3.99Å; I228-F259 HydrophobicContact CG1-CZ 3.89Å
229	H	95.1	Very high	88.7	Confident	112 Å²	112	48.8 Å²	48.8	52%	0.519	25%	0.245	S	C	.	.	H	α-helix	trans	-66	-34.4	176.8	59.5	-90.4	0	0	0	112.5	P227 R233	P227-H229 VanDerWaalsContact C-N 3.26Å; P227-H229 WeakPolarHBondContact CB-CE1 3.48Å; P227-H229 PolarHBondContact O-N 3.5Å; H229-R233 VanDerWaalsContact O-CB 3.23Å; H229-R233 WeakPolarHBondContact O-CB 3.15Å; H229-R233 PolarHBondContact O-N 3.29Å
230	E	94.7	Very high	89.4	Confident	49 Å²	49	53 Å²	53	23%	0.229	25%	0.247	C	C	.	.	H	α-helix	trans	-72.6	-35.7	175.6	-73.5	-60.3	111.6	0	0	111.5	L201 P227 I228 R233 F234	L201-E230 HydrophobicContact CD2-CB 4.04Å; P227-E230 HydrophobicContact CB-CB 4.24Å; P227-E230 HydrophobicContact CB-CG 4.14Å; P227-E230 HydrophobicContact CG-CB 4.49Å; P227-E230 HydrophobicContact CG-CG 4.24Å; P227-E230 PolarHBondContact O-N 2.92Å; I228-E230 VanDerWaalsContact C-N 3.33Å; I228-E230 PolarHBondContact O-N 2.83Å; E230-R233 IonicContact OE1-NE 3.13Å; E230-R233 PolarHBondContact OE1-NE 3.24Å; E230-R233 IonicContact OE2-CZ 3.61Å; E230-R233 IonicContact OE2-NE 2.99Å; E230-R233 PolarHBondContact OE2-NE 3.43Å; E230-R233 IonicContact OE2-NH2 2.9Å; E230-R233 PolarHBondContact OE2-NH2 3.31Å; E230-F234 VanDerWaalsContact O-CB 3.31Å; E230-F234 WeakPolarHBondContact O-CB 3.4Å; E230-F234 PolarHBondContact O-N 3.22Å
231	V	97	Very high	90.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67.3	-44	174	-179.1	0	0	0	0	110.7	L201 M213 P216 N226 P227 I228 F234 L235 F259	L201-V231 HydrophobicContact CD1-CG2 4.41Å; L201-V231 HydrophobicContact CD2-CG2 4.1Å; M213-V231 HydrophobicContact CE-CG1 4.1Å; M213-V231 HydrophobicContact SD-CG1 3.66Å; P216-V231 HydrophobicContact CB-CB 4.33Å; P216-V231 HydrophobicContact CB-CG1 4.49Å; P216-V231 HydrophobicContact CB-CG2 4.17Å; N226-V231 HydrophobicContact CB-CG2 3.71Å; P227-V231 PolarHBondContact O-N 2.64Å; P227-V231 VanDerWaalsContact O-N 3.11Å; I228-V231 PolarHBondContact O-N 2.94Å; V231-F234 WeakPolarHBondContact O-CB 3.41Å; V231-F234 PolarHBondContact O-N 3.31Å; V231-L235 HydrophobicContact CG1-CD1 4.14Å; V231-L235 WeakPolarHBondContact O-CG 3.48Å; V231-L235 PolarHBondContact O-N 3.46Å; V231-F259 HydrophobicContact CB-CE1 4.44Å; V231-F259 HydrophobicContact CB-CZ 4.42Å; V231-F259 HydrophobicContact CG1-CE1 3.95Å; V231-F259 HydrophobicContact CG1-CZ 4.05Å
232	A	97.3	Very high	91.7	Very high	8 Å²	8	44.9 Å²	44.9	7%	0.066	22%	0.222	C	C	.	.	H	α-helix	trans	-60.6	-49.1	174.2	0	0	0	0	0	110.9	I228 F234 L235 D236 F258 F259	I228-A232 WeakPolarHBondContact O-CB 3.44Å; I228-A232 PolarHBondContact O-N 2.91Å; A232-F234 VanDerWaalsContact C-N 3.28Å; A232-F234 PolarHBondContact O-N 2.98Å; A232-L235 PolarHBondContact O-N 2.76Å; A232-D236 WeakPolarHBondContact O-CB 3.34Å; A232-D236 VanDerWaalsContact O-CG 3.31Å; A232-D236 PolarHBondContact O-N 3.05Å; A232-F258 WeakPolarHBondContact CB-O 3.45Å; A232-F259 HydrophobicContact CB-CD1 4.39Å; A232-F259 HydrophobicContact CB-CE1 4.09Å
233	R	97.3	Very high	92.9	Very high	93 Å²	93	44.2 Å²	44.2	35%	0.351	22%	0.217	S	C	.	.	H	α-helix	trans	-54.6	-43.9	174.8	-174.5	178.6	73.8	82.1	-2.9	111.7	G198 F199 H229 E230 T237	G198-R233 PolarHBondContact O-NH2 3.06Å; F199-R233 HydrophobicContact CE1-CB 4.38Å; F199-R233 HydrophobicContact CE1-CG 4.18Å; F199-R233 VanDerWaalsContact CE1-NH1 3.28Å; F199-R233 HydrophobicContact CZ-CG 4.35Å; F199-R233 VanDerWaalsContact CZ-CZ 3.41Å; H229-R233 VanDerWaalsContact O-CB 3.23Å; H229-R233 WeakPolarHBondContact O-CB 3.15Å; H229-R233 PolarHBondContact O-N 3.29Å; E230-R233 IonicContact OE1-NE 3.13Å; E230-R233 PolarHBondContact OE1-NE 3.24Å; E230-R233 IonicContact OE2-CZ 3.61Å; E230-R233 IonicContact OE2-NE 2.99Å; E230-R233 PolarHBondContact OE2-NE 3.43Å; E230-R233 IonicContact OE2-NH2 2.9Å; E230-R233 PolarHBondContact OE2-NH2 3.31Å; R233-T237 WeakPolarHBondContact O-CB 3.3Å; R233-T237 PolarHBondContact O-N 2.88Å; R233-T237 PolarHBondContact O-OG1 3.11Å
234	F	97.8	Very high	94.5	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.8	-53.2	177.8	175.9	-94	0	0	0	111.9	Y194 F199 L201 L203 Y205 I211 E230 V231 A232 T237 K238	Y194-F234 HydrophobicContact CD1-CD2 4.39Å; Y194-F234 AromaticContact CD1-CE2 3.7Å; Y194-F234 HydrophobicContact CD1-CE2 3.7Å; Y194-F234 HydrophobicContact CD1-CZ 4.46Å; Y194-F234 HydrophobicContact CD2-CE2 4.37Å; Y194-F234 HydrophobicContact CD2-CZ 4.4Å; Y194-F234 HydrophobicContact CE1-CD2 4.33Å; Y194-F234 AromaticContact CE1-CE2 3.52Å; Y194-F234 HydrophobicContact CE1-CE2 3.52Å; Y194-F234 HydrophobicContact CE1-CZ 4.39Å; Y194-F234 HydrophobicContact CE2-CE2 4.23Å; Y194-F234 HydrophobicContact CE2-CZ 4.34Å; Y194-F234 HydrophobicContact CG-CE2 4.12Å; Y194-F234 HydrophobicContact CG-CZ 4.45Å; Y194-F234 AromaticContact CZ-CE2 3.81Å; F199-F234 HydrophobicContact CB-CD2 4.33Å; F199-F234 HydrophobicContact CD1-CB 3.78Å; F199-F234 AromaticContact CD1-CD2 3.86Å; F199-F234 HydrophobicContact CD1-CD2 3.86Å; F199-F234 HydrophobicContact CD1-CG 4.31Å; F199-F234 AromaticContact CD2-CD2 3.86Å; F199-F234 HydrophobicContact CD2-CD2 3.86Å; F199-F234 HydrophobicContact CE1-CB 3.49Å; F199-F234 VanDerWaalsContact CE1-CB 3.49Å; F199-F234 HydrophobicContact CE1-CD2 4.03Å; F199-F234 HydrophobicContact CE1-CG 4.28Å; F199-F234 HydrophobicContact CE2-CD2 4.06Å; F199-F234 AromaticContact CG-CD2 3.75Å; F199-F234 HydrophobicContact CG-CD2 3.75Å; F199-F234 HydrophobicContact CZ-CB 4.06Å; F199-F234 HydrophobicContact CZ-CD2 4.12Å; L201-F234 HydrophobicContact CD1-CB 3.77Å; L201-F234 HydrophobicContact CD1-CD2 4.31Å; L201-F234 HydrophobicContact CD1-CG 4Å; L203-F234 HydrophobicContact CD1-CD1 3.7Å; L203-F234 HydrophobicContact CD1-CE1 3.59Å; L203-F234 HydrophobicContact CD1-CG 4.49Å; L203-F234 HydrophobicContact CD1-CZ 4.29Å; L203-F234 HydrophobicContact CD2-CE1 3.83Å; L203-F234 HydrophobicContact CD2-CZ 3.85Å; L203-F234 HydrophobicContact CG-CE1 4.4Å; Y205-F234 AromaticContact CE2-CZ 3.88Å; Y205-F234 HydrophobicContact CE2-CZ 3.88Å; Y205-F234 WeakPolarHBondContact OH-CZ 3.01Å; I211-F234 HydrophobicContact CD1-CE1 4.24Å; E230-F234 VanDerWaalsContact O-CB 3.31Å; E230-F234 WeakPolarHBondContact O-CB 3.4Å; E230-F234 PolarHBondContact O-N 3.22Å; V231-F234 WeakPolarHBondContact O-CB 3.41Å; V231-F234 PolarHBondContact O-N 3.31Å; A232-F234 VanDerWaalsContact C-N 3.28Å; A232-F234 PolarHBondContact O-N 2.98Å; F234-T237 PolarHBondContact O-N 3.29Å; F234-K238 HydrophobicContact CD2-CG 4.22Å; F234-K238 HydrophobicContact CE2-CG 3.97Å; F234-K238 HydrophobicContact CZ-CG 4.22Å; F234-K238 WeakPolarHBondContact O-CB 3.29Å; F234-K238 WeakPolarHBondContact O-CG 3.31Å; F234-K238 PolarHBondContact O-N 3.28Å
235	L	98.1	Very high	95.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.9	-39.5	-177.6	-67.9	174.8	0	0	0	111.9	I211 V231 A232 H239 Y243 V245 F259 I297 A299	I211-L235 HydrophobicContact CD1-CD2 4.13Å; V231-L235 HydrophobicContact CG1-CD1 4.14Å; V231-L235 WeakPolarHBondContact O-CG 3.48Å; V231-L235 PolarHBondContact O-N 3.46Å; A232-L235 PolarHBondContact O-N 2.76Å; L235-H239 CarbonylContact O-C 3.58Å; L235-H239 VanDerWaalsContact O-C 3.27Å; L235-H239 VanDerWaalsContact O-CA 3.3Å; L235-H239 WeakPolarHBondContact O-CA 3.47Å; L235-H239 WeakPolarHBondContact O-CB 3.5Å; L235-H239 PolarHBondContact O-N 3.06Å; L235-Y243 HydrophobicContact CB-CD1 3.71Å; L235-Y243 HydrophobicContact CB-CD2 4.13Å; L235-Y243 HydrophobicContact CB-CE1 3.6Å; L235-Y243 HydrophobicContact CB-CE2 4.03Å; L235-Y243 HydrophobicContact CB-CG 3.96Å; L235-Y243 HydrophobicContact CD1-CD2 3.78Å; L235-Y243 HydrophobicContact CD1-CE2 3.82Å; L235-Y243 HydrophobicContact CD1-CG 4.29Å; L235-Y243 HydrophobicContact CD2-CG 4.43Å; L235-Y243 HydrophobicContact CG-CD2 4.42Å; L235-Y243 HydrophobicContact CG-CG 4.46Å; L235-V245 HydrophobicContact CD1-CG2 3.99Å; L235-F259 HydrophobicContact CD1-CD1 4.05Å; L235-F259 HydrophobicContact CD1-CE1 3.92Å; L235-I297 HydrophobicContact CD2-CD1 4.42Å; L235-A299 HydrophobicContact CD1-CB 4.44Å; L235-A299 HydrophobicContact CD2-CB 4.34Å
236	D	97.6	Very high	96.6	Very high	48 Å²	48	38.1 Å²	38.1	26%	0.257	19%	0.192	S	C	.	.	H	α-helix	trans	-68.6	-37.3	176.3	-69.2	-13.8	0	0	0	111.5	A232 E240 Y243 H260	A232-D236 WeakPolarHBondContact O-CB 3.34Å; A232-D236 VanDerWaalsContact O-CG 3.31Å; A232-D236 PolarHBondContact O-N 3.05Å; D236-E240 VanDerWaalsContact O-CB 3.31Å; D236-E240 WeakPolarHBondContact O-CB 3.35Å; D236-E240 PolarHBondContact O-N 3.26Å; D236-Y243 WeakPolarHBondContact OD1-CE1 3.32Å; D236-Y243 PolarHBondContact OD1-OH 3.02Å; D236-H260 IonicContact OD1-CD2 2.88Å; D236-H260 PolarHBondContact OD1-CD2 3.43Å; D236-H260 IonicContact OD1-NE2 2.77Å; D236-H260 PolarHBondContact OD1-NE2 3.06Å; D236-H260 IonicContact OD2-CE1 3.91Å; D236-H260 IonicContact OD2-NE2 3.72Å; D236-H260 PolarHBondContact OD2-NE2 2.89Å; D236-H260 VanDerWaalsContact OD2-NE2 3.13Å
237	T	96.7	Very high	97.1	Very high	92 Å²	92	38.1 Å²	38.1	56%	0.564	19%	0.192	S	C	*	.	H	α-helix	trans	-71.8	-38.1	178.5	-56.2	0	0	0	0	112.2	R233 F234	R233-T237 WeakPolarHBondContact O-CB 3.3Å; R233-T237 PolarHBondContact O-N 2.88Å; R233-T237 PolarHBondContact O-OG1 3.11Å; F234-T237 PolarHBondContact O-N 3.29Å
238	K	96.1	Very high	97.3	Very high	78 Å²	78	38 Å²	38	34%	0.339	19%	0.191	S	C	.	.	H	α-helix	trans	-95.6	-29.7	-171.6	-66.7	-68.4	-171.3	169.5	0	113.7	D197 F234	D197-K238 WeakPolarHBondContact OD2-CE 3.29Å; D197-K238 IonicContact OD2-NZ 2.62Å; D197-K238 PolarHBondContact OD2-NZ 2.81Å; F234-K238 HydrophobicContact CD2-CG 4.22Å; F234-K238 HydrophobicContact CE2-CG 3.97Å; F234-K238 HydrophobicContact CZ-CG 4.22Å; F234-K238 WeakPolarHBondContact O-CB 3.29Å; F234-K238 WeakPolarHBondContact O-CG 3.31Å; F234-K238 PolarHBondContact O-N 3.28Å
239	H	97.5	Very high	97.3	Very high	30 Å²	30	37.7 Å²	37.7	14%	0.139	19%	0.19	C	C	.	.	H	α-helix	trans	-140.3	38.8	-168.9	-59.1	-69.3	0	0	0	111.8	Y205 L235 G241 H242 Y243 I297	Y205-H239 AromaticContact CE1-NE2 3.69Å; Y205-H239 AromaticContact CZ-NE2 3.65Å; Y205-H239 PolarHBondContact OH-NE2 2.72Å; L235-H239 CarbonylContact O-C 3.58Å; L235-H239 VanDerWaalsContact O-C 3.27Å; L235-H239 VanDerWaalsContact O-CA 3.3Å; L235-H239 WeakPolarHBondContact O-CA 3.47Å; L235-H239 WeakPolarHBondContact O-CB 3.5Å; L235-H239 PolarHBondContact O-N 3.06Å; H239-G241 PolarHBondContact O-N 3.12Å; H239-H242 WeakPolarHBondContact O-CA 3.46Å; H239-H242 PolarHBondContact O-N 2.94Å; H239-Y243 HydrophobicContact CB-CD1 4.27Å; H239-Y243 WeakPolarHBondContact O-CD1 3.17Å; H239-I297 HydrophobicContact CB-CG1 4.05Å
240	E	97.1	Very high	97.3	Very high	157 Å²	157	33.9 Å²	33.9	73%	0.734	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48	124.3	-176.5	-164.5	175.9	-172.1	0	0	111.8	D236 H242	D236-E240 VanDerWaalsContact O-CB 3.31Å; D236-E240 WeakPolarHBondContact O-CB 3.35Å; D236-E240 PolarHBondContact O-N 3.26Å; E240-H242 PolarHBondContact O-CD2 2.82Å; E240-H242 PolarHBondContact O-N 2.88Å
241	G	96.8	Very high	97.2	Very high	39 Å²	39	35.3 Å²	35.3	40%	0.402	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	-10.5	-178.4	0	0	0	0	0	116.1	H239	H239-G241 PolarHBondContact O-N 3.12Å
242	H	98.4	Very high	96.8	Very high	48 Å²	48	38.5 Å²	38.5	22%	0.222	20%	0.195	C	C	.	.			trans	-115.7	21.4	-169.3	-67.6	-66.1	0	0	0	114.2	H239 E240 D293 K295 N296 I297	H239-H242 WeakPolarHBondContact O-CA 3.46Å; H239-H242 PolarHBondContact O-N 2.94Å; E240-H242 PolarHBondContact O-CD2 2.82Å; E240-H242 PolarHBondContact O-N 2.88Å; H242-D293 IonicContact CE1-OD1 2.74Å; H242-D293 IonicContact CE1-OD2 3.45Å; H242-D293 PolarHBondContact CE1-OD2 3Å; H242-D293 IonicContact ND1-OD1 3.19Å; H242-D293 IonicContact ND1-OD2 3.98Å; H242-K295 HydrophobicContact CB-CB 4.27Å; H242-N296 WeakPolarHBondContact CA-OD1 3.11Å; H242-N296 PolarHBondContact ND1-OD1 2.86Å; H242-N296 CarbonylContact O-C 3.55Å; H242-N296 VanDerWaalsContact O-CA 3.29Å; H242-N296 WeakPolarHBondContact O-CA 2.98Å; H242-I297 PolarHBondContact O-N 2.94Å
243	Y	98.6	Very high	96.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	147.1	172.9	71.2	-93.2	0	0	0	113.8	L235 D236 H239 V245 F259 H260 R262 I297	L235-Y243 HydrophobicContact CB-CD1 3.71Å; L235-Y243 HydrophobicContact CB-CD2 4.13Å; L235-Y243 HydrophobicContact CB-CE1 3.6Å; L235-Y243 HydrophobicContact CB-CE2 4.03Å; L235-Y243 HydrophobicContact CB-CG 3.96Å; L235-Y243 HydrophobicContact CD1-CD2 3.78Å; L235-Y243 HydrophobicContact CD1-CE2 3.82Å; L235-Y243 HydrophobicContact CD1-CG 4.29Å; L235-Y243 HydrophobicContact CD2-CG 4.43Å; L235-Y243 HydrophobicContact CG-CD2 4.42Å; L235-Y243 HydrophobicContact CG-CG 4.46Å; D236-Y243 WeakPolarHBondContact OD1-CE1 3.32Å; D236-Y243 PolarHBondContact OD1-OH 3.02Å; H239-Y243 HydrophobicContact CB-CD1 4.27Å; H239-Y243 WeakPolarHBondContact O-CD1 3.17Å; Y243-V245 HydrophobicContact CD2-CG2 3.9Å; Y243-V245 HydrophobicContact CE2-CG2 4.03Å; Y243-F259 HydrophobicContact CE2-CB 4.01Å; Y243-F259 AromaticContact CE2-CD1 3.94Å; Y243-F259 HydrophobicContact CE2-CD1 3.94Å; Y243-F259 HydrophobicContact CE2-CG 4.41Å; Y243-H260 PolarHBondContact OH-CD2 2.95Å; Y243-H260 VanDerWaalsContact OH-CD2 3.23Å; Y243-R262 VanDerWaalsContact O-CD 3.24Å; Y243-R262 WeakPolarHBondContact O-CD 3.34Å; Y243-R262 PolarHBondContact O-NE 3.12Å; Y243-I297 WeakPolarHBondContact CA-O 3.42Å; Y243-I297 VanDerWaalsContact CB-CD1 3.48Å
244	K	98.7	Very high	96.5	Very high	35 Å²	35	37.6 Å²	37.6	15%	0.152	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135	166	-174.9	173.6	177.7	-176.2	0	110.6	Y246 E264 S285 W289 I297 I298 A299	K244-Y246 HydrophobicContact CB-CE2 4.41Å; K244-Y246 HydrophobicContact CD-CE2 4.11Å; K244-Y246 HydrophobicContact CG-CE2 4Å; K244-Y246 PolarHBondContact NZ-OH 2.9Å; K244-E264 VanDerWaalsContact CE-OE2 3.31Å; K244-E264 WeakPolarHBondContact CE-OE2 3.23Å; K244-E264 IonicContact NZ-OE2 3.41Å; K244-E264 PolarHBondContact NZ-OE2 3.34Å; K244-S285 PolarHBondContact NZ-OG 3.3Å; K244-W289 HydrophobicContact CB-CD2 3.75Å; K244-W289 HydrophobicContact CB-CE3 4.42Å; K244-W289 HydrophobicContact CB-CG 3.95Å; K244-W289 HydrophobicContact CB-CZ2 4.07Å; K244-W289 HydrophobicContact CD-CB 4.18Å; K244-W289 HydrophobicContact CD-CD2 4.07Å; K244-W289 HydrophobicContact CD-CE3 4.33Å; K244-W289 HydrophobicContact CD-CG 3.98Å; K244-I297 PolarHBondContact N-O 3.35Å; K244-I297 VanDerWaalsContact N-O 3.15Å; K244-I298 WeakPolarHBondContact O-CA 3.43Å; K244-A299 PolarHBondContact O-N 3.45Å
245	V	98.7	Very high	96.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	131.9	-176.6	-176	0	0	0	0	110.4	M213 L235 Y243 Y254 F259 R262 V263 E264 A299	M213-V245 HydrophobicContact CE-CG1 3.93Å; L235-V245 HydrophobicContact CD1-CG2 3.99Å; Y243-V245 HydrophobicContact CD2-CG2 3.9Å; Y243-V245 HydrophobicContact CE2-CG2 4.03Å; V245-Y254 WeakPolarHBondContact CG1-OH 3.41Å; V245-F259 HydrophobicContact CG2-CB 4.23Å; V245-F259 HydrophobicContact CG2-CD1 4.01Å; V245-F259 HydrophobicContact CG2-CD2 4.41Å; V245-F259 HydrophobicContact CG2-CE1 4.49Å; V245-F259 HydrophobicContact CG2-CG 3.96Å; V245-R262 PolarHBondContact N-O 3.03Å; V245-V263 HydrophobicContact CB-CG2 4.24Å; V245-V263 CarbonylContact O-C 3.53Å; V245-V263 VanDerWaalsContact O-CA 3.31Å; V245-V263 WeakPolarHBondContact O-CA 3.24Å; V245-E264 PolarHBondContact O-N 2.85Å; V245-A299 CarbonylContact C-O 3.5Å; V245-A299 VanDerWaalsContact CA-O 3.29Å; V245-A299 WeakPolarHBondContact CA-O 3.47Å; V245-A299 HydrophobicContact CG2-CB 4.43Å
246	Y	98.7	Very high	96.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	113.8	173.7	-69	-93.1	0	0	0	110.2	K244 E264 I266 Y282 S285 V286 I298 A299 I300 H301	K244-Y246 HydrophobicContact CB-CE2 4.41Å; K244-Y246 HydrophobicContact CD-CE2 4.11Å; K244-Y246 HydrophobicContact CG-CE2 4Å; K244-Y246 PolarHBondContact NZ-OH 2.9Å; Y246-E264 WeakPolarHBondContact CA-O 3.45Å; Y246-E264 HydrophobicContact CD1-CB 3.93Å; Y246-E264 HydrophobicContact CD1-CG 4.41Å; Y246-E264 HydrophobicContact CE1-CB 3.91Å; Y246-E264 HydrophobicContact CE1-CG 4.26Å; Y246-I266 HydrophobicContact CD1-CD1 4.1Å; Y246-Y282 AromaticContact CD1-CD2 3.58Å; Y246-Y282 HydrophobicContact CD1-CD2 3.58Å; Y246-Y282 AromaticContact CD1-CE2 3.61Å; Y246-Y282 HydrophobicContact CD1-CE2 3.61Å; Y246-Y282 HydrophobicContact CD2-CE2 4.21Å; Y246-Y282 AromaticContact CE1-CD2 3.66Å; Y246-Y282 HydrophobicContact CE1-CD2 3.66Å; Y246-Y282 AromaticContact CE1-CE2 3.85Å; Y246-Y282 HydrophobicContact CE1-CE2 3.85Å; Y246-Y282 HydrophobicContact CE2-CE2 4.44Å; Y246-Y282 HydrophobicContact CG-CD2 4.25Å; Y246-Y282 AromaticContact CG-CE2 3.79Å; Y246-Y282 HydrophobicContact CG-CE2 3.79Å; Y246-S285 PolarHBondContact OH-OG 2.9Å; Y246-V286 HydrophobicContact CE1-CG2 4.05Å; Y246-V286 HydrophobicContact CE2-CG2 3.79Å; Y246-V286 VanDerWaalsContact CZ-CG2 3.46Å; Y246-V286 WeakPolarHBondContact OH-CA 3.39Å; Y246-V286 WeakPolarHBondContact OH-CG2 3.41Å; Y246-V286 PolarHBondContact OH-N 2.64Å; Y246-I298 HydrophobicContact CD2-CB 4.26Å; Y246-I298 HydrophobicContact CD2-CG2 4.4Å; Y246-I298 HydrophobicContact CE2-CB 4.12Å; Y246-I298 HydrophobicContact CE2-CG2 3.75Å; Y246-A299 PolarHBondContact N-O 2.8Å; Y246-I300 HydrophobicContact CD2-CG1 4.4Å; Y246-H301 PolarHBondContact O-CD2 3.43Å; Y246-H301 PolarHBondContact O-N 3.09Å
247	N	98.3	Very high	96.2	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.011	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	111.3	177	175.5	15.2	0	0	0	110.5	C249 R252 V263 E264 R265 I266 H301	N247-C249 WeakPolarHBondContact OD1-CB 3.44Å; N247-C249 PolarHBondContact OD1-N 3.48Å; N247-R252 PolarHBondContact ND2-O 3.28Å; N247-R252 VanDerWaalsContact ND2-O 3.1Å; N247-V263 HydrophobicContact CB-CG1 4.46Å; N247-E264 PolarHBondContact N-O 2.88Å; N247-R265 HydrophobicContact CB-CG 4.26Å; N247-R265 WeakPolarHBondContact O-CA 3.48Å; N247-I266 PolarHBondContact O-N 3.28Å; N247-H301 WeakPolarHBondContact CB-NE2 3.49Å; N247-H301 VanDerWaalsContact CG-CE1 3.43Å; N247-H301 PolarHBondContact OD1-CE1 3.12Å
248	L	98.3	Very high	96.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	2.9	-176.4	-52.8	-178.3	0	0	0	114.3	I266 I268 I300 H301 C302 R308 M312	L248-I266 CarbonylContact C-O 3.46Å; L248-I266 WeakPolarHBondContact CA-O 3.26Å; L248-I266 HydrophobicContact CD2-CB 3.91Å; L248-I266 HydrophobicContact CD2-CD1 3.86Å; L248-I266 HydrophobicContact CD2-CG1 4.42Å; L248-I268 HydrophobicContact CB-CD1 4.26Å; L248-I268 HydrophobicContact CD1-CD1 4.46Å; L248-I268 HydrophobicContact CD2-CD1 4.24Å; L248-I268 PolarHBondContact O-N 2.94Å; L248-I268 VanDerWaalsContact O-O 3.08Å; L248-I300 HydrophobicContact CD1-CG2 3.7Å; L248-I300 HydrophobicContact CD2-CG2 4.45Å; L248-I300 HydrophobicContact CG-CG2 4.11Å; L248-H301 WeakPolarHBondContact CB-O 3.29Å; L248-H301 WeakPolarHBondContact CG-O 3.47Å; L248-H301 PolarHBondContact N-O 3.43Å; L248-C302 HydrophobicContact CB-CB 4.02Å; L248-R308 HydrophobicContact CB-CB 4.38Å; L248-R308 HydrophobicContact CD1-CB 4.13Å; L248-R308 WeakPolarHBondContact CD1-O 3.28Å; L248-M312 HydrophobicContact CD1-CB 4Å; L248-M312 HydrophobicContact CD1-CG 3.6Å; L248-M312 HydrophobicContact CD2-CB 4.45Å; L248-M312 HydrophobicContact CD2-CG 3.82Å; L248-M312 HydrophobicContact CG-CG 4.37Å
249	C	95.3	Very high	96.3	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	119.6	-177.3	-73	0	0	0	0	112.2	N247 E251 R252 R265 K303	N247-C249 WeakPolarHBondContact OD1-CB 3.44Å; N247-C249 PolarHBondContact OD1-N 3.48Å; C249-E251 VanDerWaalsContact C-N 3.3Å; C249-E251 WeakPolarHBondContact CA-OE2 3.47Å; C249-E251 WeakPolarHBondContact CB-OE2 3.2Å; C249-R252 HydrophobicContact CB-CB 4.02Å; C249-R252 WeakPolarHBondContact CB-O 3.36Å; C249-R265 PolarHBondContact O-NH2 3.13Å; C249-R265 VanDerWaalsContact O-NH2 3.12Å; C249-K303 PolarHBondContact SG-N 3.48Å
250	S	93.6	Very high	96.3	Very high	33 Å²	33	45.9 Å²	45.9	23%	0.231	24%	0.239	C	C	.	.	S	Bend	trans	-65.5	-38.6	163.4	64.3	0	0	0	0	111.6	I268 D269	S250-I268 PolarHBondContact N-O 3.5Å; S250-D269 WeakPolarHBondContact CB-OD1 3.45Å; S250-D269 WeakPolarHBondContact OG-CA 3.31Å; S250-D269 PolarHBondContact OG-OD1 2.65Å
251	E	92.8	Very high	96.3	Very high	79 Å²	79	45.7 Å²	45.7	37%	0.369	23%	0.232	S	C	.	.	S	Bend	trans	-85.3	-15.8	-167.9	71.7	-83.1	-157.3	0	0	114.4	C249 R308	C249-E251 VanDerWaalsContact C-N 3.3Å; C249-E251 WeakPolarHBondContact CA-OE2 3.47Å; C249-E251 WeakPolarHBondContact CB-OE2 3.2Å; E251-R308 IonicContact OE1-CZ 3.5Å; E251-R308 IonicContact OE1-NH1 3.17Å; E251-R308 PolarHBondContact OE1-NH1 3.12Å; E251-R308 IonicContact OE1-NH2 2.91Å; E251-R308 PolarHBondContact OE1-NH2 2.77Å; E251-R308 IonicContact OE2-CZ 2.78Å; E251-R308 IonicContact OE2-NH1 2.94Å; E251-R308 PolarHBondContact OE2-NH1 3.03Å; E251-R308 IonicContact OE2-NH2 2.77Å
252	R	90.2	Very high	96.4	Very high	67 Å²	67	46.6 Å²	46.6	25%	0.253	22%	0.224	S	C	.	.			trans	-144.9	141.3	-167.8	-75.2	162.6	-163.6	-136.3	0.4	113.1	F215 Q221 N247 C249 R265	F215-R252 HydrophobicContact CE2-CB 3.63Å; F215-R252 HydrophobicContact CZ-CB 3.65Å; F215-R252 HydrophobicContact CZ-CG 4.42Å; Q221-R252 VanDerWaalsContact OE1-NH1 3.11Å; N247-R252 PolarHBondContact ND2-O 3.28Å; N247-R252 VanDerWaalsContact ND2-O 3.1Å; C249-R252 HydrophobicContact CB-CB 4.02Å; C249-R252 WeakPolarHBondContact CB-O 3.36Å; R252-R265 PolarHBondContact O-NH2 3.14Å; R252-R265 VanDerWaalsContact O-NH2 3.13Å
253	G	92.1	Very high	96.4	Very high	44 Å²	44	45.8 Å²	45.8	45%	0.454	22%	0.222	S	C	.	.			trans	-138.1	179.6	169	0	0	0	0	0	111.3
254	Y	94.7	Very high	96.3	Very high	38 Å²	38	48 Å²	48	15%	0.149	23%	0.232	C	C	.	.			trans	-150.2	168	174.7	44.3	-104.2	0	0	0	108	F215 P216 I228 V245 P256 F259 V263 H301	F215-Y254 HydrophobicContact CE1-CD1 4.39Å; F215-Y254 HydrophobicContact CE2-CD1 4.04Å; F215-Y254 HydrophobicContact CE2-CE1 4.09Å; F215-Y254 AromaticContact CZ-CD1 3.72Å; F215-Y254 HydrophobicContact CZ-CD1 3.72Å; F215-Y254 HydrophobicContact CZ-CE1 4.24Å; P216-Y254 HydrophobicContact CG-CD1 3.97Å; P216-Y254 HydrophobicContact CG-CE1 3.39Å; I228-Y254 HydrophobicContact CD1-CD1 4.24Å; I228-Y254 HydrophobicContact CD1-CD2 3.78Å; I228-Y254 HydrophobicContact CD1-CE2 4.46Å; I228-Y254 HydrophobicContact CD1-CG 3.66Å; V245-Y254 WeakPolarHBondContact CG1-OH 3.41Å; Y254-P256 WeakPolarHBondContact O-CD 3.43Å; Y254-F259 HydrophobicContact CD2-CD2 4.27Å; Y254-F259 HydrophobicContact CD2-CE2 4.04Å; Y254-F259 AromaticContact CE2-CD2 3.58Å; Y254-F259 HydrophobicContact CE2-CD2 3.58Å; Y254-F259 AromaticContact CE2-CE2 3.42Å; Y254-F259 HydrophobicContact CE2-CE2 3.42Å; Y254-F259 VanDerWaalsContact CE2-CE2 3.42Å; Y254-F259 AromaticContact CZ-CE2 3.78Å; Y254-V263 HydrophobicContact CE2-CG1 4.16Å; Y254-V263 HydrophobicContact CE2-CG2 4.22Å; Y254-H301 AromaticContact CE1-CE1 3.63Å; Y254-H301 AromaticContact CE1-NE2 3.47Å; Y254-H301 WeakPolarHBondContact CE1-NE2 3.31Å; Y254-H301 AromaticContact CZ-NE2 3.49Å; Y254-H301 PolarHBondContact OH-NE2 3.4Å
255	D	95.7	Very high	96.3	Very high	74 Å²	74	51.2 Å²	51.2	40%	0.396	24%	0.244	S	C	.	.			trans	-63.7	118.4	176.2	-170.8	-21.8	0	0	0	109.8	K257 F258	D255-K257 PolarHBondContact O-N 2.67Å; D255-K257 VanDerWaalsContact O-N 3.14Å; D255-K257 VanDerWaalsContact OD1-CB 3.25Å; D255-K257 WeakPolarHBondContact OD1-CB 3.39Å; D255-K257 WeakPolarHBondContact OD1-CG 3.38Å; D255-K257 PolarHBondContact OD1-N 2.97Å; D255-F258 HydrophobicContact CB-CD2 4.15Å; D255-F258 HydrophobicContact CB-CE2 4.2Å; D255-F258 WeakPolarHBondContact O-CD2 3.3Å; D255-F258 PolarHBondContact O-N 2.87Å
256	P	95.9	Very high	96.2	Very high	47 Å²	47	51.8 Å²	51.8	31%	0.305	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-66.8	-11.8	-178.7	29.7	-37.3	0	0	0	113.3	Y254 F258 F259 H260 Y261 V263	Y254-P256 WeakPolarHBondContact O-CD 3.43Å; P256-F258 PolarHBondContact O-N 2.97Å; P256-F259 CarbonylContact O-C 3.27Å; P256-F259 PolarHBondContact O-N 2.64Å; P256-H260 PolarHBondContact O-N 2.79Å; P256-Y261 HydrophobicContact CB-CD1 4.11Å; P256-Y261 HydrophobicContact CG-CD1 3.76Å; P256-Y261 HydrophobicContact CG-CE1 4.02Å; P256-Y261 PolarHBondContact O-N 3.09Å; P256-V263 HydrophobicContact CB-CB 4.14Å; P256-V263 HydrophobicContact CB-CG2 4.05Å
257	K	96.8	Very high	96.1	Very high	121 Å²	121	56.9 Å²	56.9	53%	0.526	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-56.2	-32.1	174.1	-74.2	174.7	-174.1	170.6	0	113.4	D255 F259 H260 Y261	D255-K257 PolarHBondContact O-N 2.67Å; D255-K257 VanDerWaalsContact O-N 3.14Å; D255-K257 VanDerWaalsContact OD1-CB 3.25Å; D255-K257 WeakPolarHBondContact OD1-CB 3.39Å; D255-K257 WeakPolarHBondContact OD1-CG 3.38Å; D255-K257 PolarHBondContact OD1-N 2.97Å; K257-F259 PolarHBondContact O-N 3.45Å; K257-H260 PolarHBondContact O-N 2.88Å; K257-H260 VanDerWaalsContact O-N 3.12Å; K257-Y261 WeakPolarHBondContact CE-OH 3.33Å; K257-Y261 HydrophobicContact CG-CE1 3.83Å; K257-Y261 HydrophobicContact CG-CE2 3.77Å; K257-Y261 WeakPolarHBondContact CG-OH 3.26Å
258	F	96.2	Very high	96	Very high	89 Å²	89	56.9 Å²	56.9	39%	0.39	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-57.5	-23.1	176.6	-76.9	-72.2	0	0	0	113.2	I228 A232 D255 P256	I228-F258 HydrophobicContact CD1-CB 3.98Å; I228-F258 HydrophobicContact CD1-CD2 3.6Å; I228-F258 HydrophobicContact CD1-CE2 4.27Å; I228-F258 HydrophobicContact CD1-CG 3.83Å; I228-F258 HydrophobicContact CG1-CB 3.99Å; I228-F258 HydrophobicContact CG1-CD1 4.27Å; I228-F258 HydrophobicContact CG1-CD2 4.11Å; I228-F258 HydrophobicContact CG1-CG 3.87Å; I228-F258 HydrophobicContact CG2-CD1 4.32Å; I228-F258 HydrophobicContact CG2-CD2 4.48Å; I228-F258 HydrophobicContact CG2-CE1 4.14Å; I228-F258 HydrophobicContact CG2-CE2 4.32Å; I228-F258 HydrophobicContact CG2-CZ 4.14Å; A232-F258 WeakPolarHBondContact CB-O 3.45Å; D255-F258 HydrophobicContact CB-CD2 4.15Å; D255-F258 HydrophobicContact CB-CE2 4.2Å; D255-F258 WeakPolarHBondContact O-CD2 3.3Å; D255-F258 PolarHBondContact O-N 2.87Å; P256-F258 PolarHBondContact O-N 2.97Å
259	F	97.8	Very high	95.9	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-123	29.9	-177.6	-59.7	-63.5	0	0	0	111.1	P216 I228 V231 A232 L235 Y243 V245 Y254 P256 K257 Y261 R262 V263	P216-F259 HydrophobicContact CB-CZ 4.12Å; P216-F259 HydrophobicContact CG-CE2 4.19Å; P216-F259 HydrophobicContact CG-CZ 4.14Å; I228-F259 HydrophobicContact CD1-CE2 3.87Å; I228-F259 HydrophobicContact CD1-CZ 4.28Å; I228-F259 HydrophobicContact CG1-CE2 3.99Å; I228-F259 HydrophobicContact CG1-CZ 3.89Å; V231-F259 HydrophobicContact CB-CE1 4.44Å; V231-F259 HydrophobicContact CB-CZ 4.42Å; V231-F259 HydrophobicContact CG1-CE1 3.95Å; V231-F259 HydrophobicContact CG1-CZ 4.05Å; A232-F259 HydrophobicContact CB-CD1 4.39Å; A232-F259 HydrophobicContact CB-CE1 4.09Å; L235-F259 HydrophobicContact CD1-CD1 4.05Å; L235-F259 HydrophobicContact CD1-CE1 3.92Å; Y243-F259 HydrophobicContact CE2-CB 4.01Å; Y243-F259 AromaticContact CE2-CD1 3.94Å; Y243-F259 HydrophobicContact CE2-CD1 3.94Å; Y243-F259 HydrophobicContact CE2-CG 4.41Å; V245-F259 HydrophobicContact CG2-CB 4.23Å; V245-F259 HydrophobicContact CG2-CD1 4.01Å; V245-F259 HydrophobicContact CG2-CD2 4.41Å; V245-F259 HydrophobicContact CG2-CE1 4.49Å; V245-F259 HydrophobicContact CG2-CG 3.96Å; Y254-F259 HydrophobicContact CD2-CD2 4.27Å; Y254-F259 HydrophobicContact CD2-CE2 4.04Å; Y254-F259 AromaticContact CE2-CD2 3.58Å; Y254-F259 HydrophobicContact CE2-CD2 3.58Å; Y254-F259 AromaticContact CE2-CE2 3.42Å; Y254-F259 HydrophobicContact CE2-CE2 3.42Å; Y254-F259 VanDerWaalsContact CE2-CE2 3.42Å; Y254-F259 AromaticContact CZ-CE2 3.78Å; P256-F259 CarbonylContact O-C 3.27Å; P256-F259 PolarHBondContact O-N 2.64Å; K257-F259 PolarHBondContact O-N 3.45Å; F259-Y261 PolarHBondContact O-N 2.95Å; F259-Y261 VanDerWaalsContact O-N 3.12Å; F259-R262 WeakPolarHBondContact O-CB 3.28Å; F259-R262 PolarHBondContact O-N 3.42Å; F259-V263 HydrophobicContact CB-CG2 3.61Å; F259-V263 HydrophobicContact CD2-CG2 3.77Å; F259-V263 HydrophobicContact CG-CG2 4.11Å
260	H	97.6	Very high	95.8	Very high	91 Å²	91	61.7 Å²	61.7	42%	0.421	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	36.3	177	-48.2	-78.6	0	0	0	113.5	D236 Y243 P256 K257 R262	D236-H260 IonicContact OD1-CD2 2.88Å; D236-H260 PolarHBondContact OD1-CD2 3.43Å; D236-H260 IonicContact OD1-NE2 2.77Å; D236-H260 PolarHBondContact OD1-NE2 3.06Å; D236-H260 IonicContact OD2-CE1 3.91Å; D236-H260 IonicContact OD2-NE2 3.72Å; D236-H260 PolarHBondContact OD2-NE2 2.89Å; D236-H260 VanDerWaalsContact OD2-NE2 3.13Å; Y243-H260 PolarHBondContact OH-CD2 2.95Å; Y243-H260 VanDerWaalsContact OH-CD2 3.23Å; P256-H260 PolarHBondContact O-N 2.79Å; K257-H260 PolarHBondContact O-N 2.88Å; K257-H260 VanDerWaalsContact O-N 3.12Å; H260-R262 PolarHBondContact CD2-NH2 3.35Å; H260-R262 PolarHBondContact O-N 2.84Å; H260-R262 VanDerWaalsContact O-N 3.09Å
261	Y	97.7	Very high	95.8	Very high	153 Å²	153	61.9 Å²	61.9	60%	0.6	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	13.8	-176	-57.2	-85.7	0	0	0	115.8	P256 K257 F259 V263	P256-Y261 HydrophobicContact CB-CD1 4.11Å; P256-Y261 HydrophobicContact CG-CD1 3.76Å; P256-Y261 HydrophobicContact CG-CE1 4.02Å; P256-Y261 PolarHBondContact O-N 3.09Å; K257-Y261 WeakPolarHBondContact CE-OH 3.33Å; K257-Y261 HydrophobicContact CG-CE1 3.83Å; K257-Y261 HydrophobicContact CG-CE2 3.77Å; K257-Y261 WeakPolarHBondContact CG-OH 3.26Å; F259-Y261 PolarHBondContact O-N 2.95Å; F259-Y261 VanDerWaalsContact O-N 3.12Å; Y261-V263 PolarHBondContact O-N 3.11Å; Y261-V263 VanDerWaalsContact O-N 3.09Å
262	R	97.8	Very high	96	Very high	58 Å²	58	58.2 Å²	58.2	22%	0.219	28%	0.275	C	S	.	.			trans	-86.4	50.7	172.3	-62.4	-174	-66.8	-90.4	0.4	111.1	Y243 V245 F259 H260	Y243-R262 VanDerWaalsContact O-CD 3.24Å; Y243-R262 WeakPolarHBondContact O-CD 3.34Å; Y243-R262 PolarHBondContact O-NE 3.12Å; V245-R262 PolarHBondContact N-O 3.03Å; F259-R262 WeakPolarHBondContact O-CB 3.28Å; F259-R262 PolarHBondContact O-N 3.42Å; H260-R262 PolarHBondContact CD2-NH2 3.35Å; H260-R262 PolarHBondContact O-N 2.84Å; H260-R262 VanDerWaalsContact O-N 3.09Å
263	V	98.1	Very high	96.3	Very high	31 Å²	31	55.6 Å²	55.6	19%	0.188	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.7	-179.7	-176.1	0	0	0	0	109.6	V245 N247 Y254 P256 F259 Y261	V245-V263 HydrophobicContact CB-CG2 4.24Å; V245-V263 CarbonylContact O-C 3.53Å; V245-V263 VanDerWaalsContact O-CA 3.31Å; V245-V263 WeakPolarHBondContact O-CA 3.24Å; N247-V263 HydrophobicContact CB-CG1 4.46Å; Y254-V263 HydrophobicContact CE2-CG1 4.16Å; Y254-V263 HydrophobicContact CE2-CG2 4.22Å; P256-V263 HydrophobicContact CB-CB 4.14Å; P256-V263 HydrophobicContact CB-CG2 4.05Å; F259-V263 HydrophobicContact CB-CG2 3.61Å; F259-V263 HydrophobicContact CD2-CG2 3.77Å; F259-V263 HydrophobicContact CG-CG2 4.11Å; Y261-V263 PolarHBondContact O-N 3.11Å; Y261-V263 VanDerWaalsContact O-N 3.09Å
264	E	98.3	Very high	96.6	Very high	45 Å²	45	53.7 Å²	53.7	21%	0.21	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	142.5	171.6	-168.7	169.5	137.3	0	0	110.5	K244 V245 Y246 N247 S285	K244-E264 VanDerWaalsContact CE-OE2 3.31Å; K244-E264 WeakPolarHBondContact CE-OE2 3.23Å; K244-E264 IonicContact NZ-OE2 3.41Å; K244-E264 PolarHBondContact NZ-OE2 3.34Å; V245-E264 PolarHBondContact O-N 2.85Å; Y246-E264 WeakPolarHBondContact CA-O 3.45Å; Y246-E264 HydrophobicContact CD1-CB 3.93Å; Y246-E264 HydrophobicContact CD1-CG 4.41Å; Y246-E264 HydrophobicContact CE1-CB 3.91Å; Y246-E264 HydrophobicContact CE1-CG 4.26Å; N247-E264 PolarHBondContact N-O 2.88Å; E264-S285 VanDerWaalsContact CD-OG 3.23Å; E264-S285 WeakPolarHBondContact OE1-CB 3.19Å; E264-S285 PolarHBondContact OE1-OG 3.09Å; E264-S285 PolarHBondContact OE2-OG 2.97Å
265	R	97.7	Very high	96.8	Very high	104 Å²	104	54.5 Å²	54.5	39%	0.392	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	133.5	-177.5	-62.2	-171.9	68.8	-167.4	-2.1	111	N247 C249 R252 F267	N247-R265 HydrophobicContact CB-CG 4.26Å; N247-R265 WeakPolarHBondContact O-CA 3.48Å; C249-R265 PolarHBondContact O-NH2 3.13Å; C249-R265 VanDerWaalsContact O-NH2 3.12Å; R252-R265 PolarHBondContact O-NH2 3.14Å; R252-R265 VanDerWaalsContact O-NH2 3.13Å; R265-F267 HydrophobicContact CB-CE1 4.47Å; R265-F267 HydrophobicContact CB-CZ 4.31Å; R265-F267 VanDerWaalsContact CZ-CE1 3.41Å
266	I	97.4	Very high	96.9	Very high	11 Å²	11	51 Å²	51	6%	0.056	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	117.2	172.1	-58.1	157.4	0	0	0	106.5	Y246 N247 L248 I268 D278 Y282 M312	Y246-I266 HydrophobicContact CD1-CD1 4.1Å; N247-I266 PolarHBondContact O-N 3.28Å; L248-I266 CarbonylContact C-O 3.46Å; L248-I266 WeakPolarHBondContact CA-O 3.26Å; L248-I266 HydrophobicContact CD2-CB 3.91Å; L248-I266 HydrophobicContact CD2-CD1 3.86Å; L248-I266 HydrophobicContact CD2-CG1 4.42Å; I266-I268 HydrophobicContact CG2-CD1 4.12Å; I266-I268 HydrophobicContact CG2-CG1 3.93Å; I266-I268 PolarHBondContact O-N 3Å; I266-I268 VanDerWaalsContact O-N 3.11Å; I266-D278 HydrophobicContact CG2-CB 4.18Å; I266-Y282 HydrophobicContact CD1-CD2 3.32Å; I266-Y282 HydrophobicContact CD1-CE2 4.2Å; I266-Y282 HydrophobicContact CD1-CG 3.69Å; I266-M312 HydrophobicContact CD1-CE 4Å
267	F	96.3	Very high	96.9	Very high	107 Å²	107	51.9 Å²	51.9	47%	0.469	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	91.7	-168	-59.3	-77.8	0	0	0	111.2	R265	R265-F267 HydrophobicContact CB-CE1 4.47Å; R265-F267 HydrophobicContact CB-CZ 4.31Å; R265-F267 VanDerWaalsContact CZ-CE1 3.41Å
268	I	97	Very high	97	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.8	178.1	-46.4	175.2	0	0	0	109.2	L248 S250 I266 P274 R308 M312	L248-I268 HydrophobicContact CB-CD1 4.26Å; L248-I268 HydrophobicContact CD1-CD1 4.46Å; L248-I268 HydrophobicContact CD2-CD1 4.24Å; L248-I268 PolarHBondContact O-N 2.94Å; L248-I268 VanDerWaalsContact O-O 3.08Å; S250-I268 PolarHBondContact N-O 3.5Å; I266-I268 HydrophobicContact CG2-CD1 4.12Å; I266-I268 HydrophobicContact CG2-CG1 3.93Å; I266-I268 PolarHBondContact O-N 3Å; I266-I268 VanDerWaalsContact O-N 3.11Å; I268-P274 HydrophobicContact CD1-CB 3.8Å; I268-P274 HydrophobicContact CD1-CG 4.15Å; I268-P274 HydrophobicContact CG1-CB 3.99Å; I268-R308 HydrophobicContact CB-CG 4.19Å; I268-R308 HydrophobicContact CG2-CG 3.77Å; I268-R308 VanDerWaalsContact O-CD 3.31Å; I268-R308 WeakPolarHBondContact O-CD 3.27Å; I268-R308 PolarHBondContact O-NH1 2.84Å; I268-M312 HydrophobicContact CD1-CG 4.03Å; I268-M312 HydrophobicContact CD1-SD 4.08Å
269	D	95.4	Very high	97.1	Very high	62 Å²	62	43.6 Å²	43.6	33%	0.332	21%	0.206	S	C	.	.			trans	-67	149.8	177	-64.4	-35.6	0	0	0	111.4	S250 H271 N272 R308	S250-D269 WeakPolarHBondContact CB-OD1 3.45Å; S250-D269 WeakPolarHBondContact OG-CA 3.31Å; S250-D269 PolarHBondContact OG-OD1 2.65Å; D269-H271 PolarHBondContact O-N 3.27Å; D269-N272 HydrophobicContact CB-CB 4.04Å; D269-N272 PolarHBondContact O-N 3.42Å; D269-R308 WeakPolarHBondContact O-CD 3.47Å
270	D	92.4	Very high	97.2	Very high	40 Å²	40	44.8 Å²	44.8	21%	0.214	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	132.2	-177.1	-148	17.2	0	0	0	109.9	N272 K303 R308	D270-N272 PolarHBondContact O-N 3.02Å; D270-N272 PolarHBondContact O-ND2 2.76Å; D270-K303 IonicContact OD2-NZ 2.83Å; D270-K303 PolarHBondContact OD2-NZ 2.79Å; D270-R308 VanDerWaalsContact CG-NH2 3.33Å; D270-R308 IonicContact OD1-CZ 3.15Å; D270-R308 IonicContact OD1-NE 3.83Å; D270-R308 PolarHBondContact OD1-NE 2.91Å; D270-R308 IonicContact OD1-NH2 3.8Å; D270-R308 PolarHBondContact OD1-NH2 3.17Å
271	H	93.8	Very high	97.2	Very high	37 Å²	37	46.8 Å²	46.8	17%	0.171	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	11.9	-174.3	-39.1	95.3	0	0	0	116.4	D269 E350 T351 Y460 Y466	D269-H271 PolarHBondContact O-N 3.27Å; H271-E350 IonicContact CD2-OE2 2.77Å; H271-E350 IonicContact NE2-OE2 3.79Å; H271-T351 HydrophobicContact CB-CG2 4.24Å; H271-Y460 HydrophobicContact CB-CD1 4.38Å; H271-Y460 HydrophobicContact CB-CD2 3.89Å; H271-Y460 HydrophobicContact CB-CE2 4.43Å; H271-Y460 HydrophobicContact CB-CG 3.84Å; H271-Y460 AromaticContact CD2-CD1 3.47Å; H271-Y460 VanDerWaalsContact CD2-CD1 3.47Å; H271-Y460 WeakPolarHBondContact CD2-CD1 3.18Å; H271-Y460 AromaticContact CD2-CD2 3.83Å; H271-Y460 AromaticContact CD2-CE1 3.31Å; H271-Y460 WeakPolarHBondContact CD2-CE1 3.48Å; H271-Y460 AromaticContact CD2-CE2 3.63Å; H271-Y460 AromaticContact CD2-CG 3.74Å; H271-Y460 AromaticContact CD2-CZ 3.36Å; H271-Y460 AromaticContact CE1-CD1 3.78Å; H271-Y460 AromaticContact CE1-CE1 3.93Å; H271-Y460 AromaticContact CG-CD1 3.63Å; H271-Y460 AromaticContact CG-CD2 3.9Å; H271-Y460 AromaticContact CG-CE1 3.97Å; H271-Y460 AromaticContact CG-CG 3.59Å; H271-Y460 AromaticContact ND1-CD1 3.82Å; H271-Y460 AromaticContact NE2-CD1 3.56Å; H271-Y460 AromaticContact NE2-CE1 3.27Å; H271-Y460 VanDerWaalsContact NE2-CE1 3.27Å; H271-Y460 WeakPolarHBondContact NE2-CE1 2.95Å; H271-Y460 AromaticContact NE2-CZ 3.73Å; H271-Y466 PolarHBondContact O-OH 3.45Å
272	N	96.8	Very high	97.3	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.011	19%	0.188	C	C	.	.			trans	-107.4	-174.1	175.4	-68	-92.5	0	0	0	111.1	D269 D270 Q354 K447 E461 W468	D269-N272 HydrophobicContact CB-CB 4.04Å; D269-N272 PolarHBondContact O-N 3.42Å; D270-N272 PolarHBondContact O-N 3.02Å; D270-N272 PolarHBondContact O-ND2 2.76Å; N272-Q354 PolarHBondContact O-NE2 3.47Å; N272-Q354 VanDerWaalsContact O-NE2 3.1Å; N272-K447 WeakPolarHBondContact OD1-CE 3.45Å; N272-K447 PolarHBondContact OD1-NZ 2.97Å; N272-E461 PolarHBondContact ND2-OE1 3.36Å; N272-W468 HydrophobicContact CB-CZ2 4.34Å; N272-W468 PolarHBondContact OD1-NE1 3.39Å
273	V	97.8	Very high	97.3	Very high	12 Å²	12	36.8 Å²	36.8	7%	0.073	18%	0.177	C	C	.	.			trans	-111.2	152.4	-178	-59.7	0	0	0	0	111.2	S353 Q354 Y357 W468	V273-S353 VanDerWaalsContact CG1-C 3.48Å; V273-S353 WeakPolarHBondContact CG1-O 3.16Å; V273-Q354 HydrophobicContact CG1-CG 4.08Å; V273-Y357 HydrophobicContact CB-CD1 3.8Å; V273-Y357 HydrophobicContact CB-CD2 4.16Å; V273-Y357 HydrophobicContact CB-CE1 3.99Å; V273-Y357 HydrophobicContact CB-CE2 4.35Å; V273-Y357 HydrophobicContact CB-CG 3.89Å; V273-Y357 HydrophobicContact CG1-CD1 4.45Å; V273-Y357 HydrophobicContact CG1-CD2 3.97Å; V273-Y357 HydrophobicContact CG1-CE2 4.35Å; V273-Y357 HydrophobicContact CG1-CG 4.02Å; V273-Y357 HydrophobicContact CG2-CD1 3.88Å; V273-Y357 HydrophobicContact CG2-CD2 4.16Å; V273-Y357 HydrophobicContact CG2-CE1 3.52Å; V273-Y357 HydrophobicContact CG2-CE2 3.84Å; V273-Y357 HydrophobicContact CG2-CG 4.19Å; V273-Y357 VanDerWaalsContact CG2-CZ 3.49Å; V273-W468 HydrophobicContact CG2-CB 3.93Å; V273-W468 HydrophobicContact CG2-CD2 3.52Å; V273-W468 HydrophobicContact CG2-CE3 3.83Å; V273-W468 HydrophobicContact CG2-CG 3.6Å; V273-W468 HydrophobicContact CG2-CZ3 4.5Å
274	P	97.4	Very high	97.3	Very high	4 Å²	4	40.4 Å²	40.4	3%	0.026	19%	0.192	C	C	.	.			trans	-68.5	162.2	164.4	32.2	-35.8	0	0	0	110.6	I268 D278 M279 T311 M312 Y357	I268-P274 HydrophobicContact CD1-CB 3.8Å; I268-P274 HydrophobicContact CD1-CG 4.15Å; I268-P274 HydrophobicContact CG1-CB 3.99Å; P274-D278 HydrophobicContact CB-CB 4.38Å; P274-M279 HydrophobicContact CB-CG 3.96Å; P274-M279 HydrophobicContact CG-CG 3.41Å; P274-M279 VanDerWaalsContact CG-CG 3.41Å; P274-M279 HydrophobicContact CG-SD 3.82Å; P274-T311 HydrophobicContact CG-CG2 4.43Å; P274-M312 HydrophobicContact CB-SD 4.38Å; P274-M312 HydrophobicContact CG-SD 3.86Å; P274-Y357 VanDerWaalsContact O-CD1 3.26Å; P274-Y357 WeakPolarHBondContact O-CD1 3.43Å; P274-Y357 WeakPolarHBondContact O-CE1 3.38Å
275	T	97.9	Very high	97.3	Very high	54 Å²	54	39.1 Å²	39.1	33%	0.331	19%	0.188	S	C	.	.			trans	-69.6	153.7	164.1	67.1	0	0	0	0	110.1	T277 D278 M279 D445	T275-T277 PolarHBondContact O-N 3.13Å; T275-D278 PolarHBondContact O-N 2.92Å; T275-D278 VanDerWaalsContact O-N 3.08Å; T275-D278 WeakPolarHBondContact OG1-CB 3.06Å; T275-D278 PolarHBondContact OG1-N 3.08Å; T275-D278 PolarHBondContact OG1-OD2 3.16Å; T275-M279 WeakPolarHBondContact O-CG 3.32Å; T275-M279 PolarHBondContact O-N 2.86Å; T275-D445 WeakPolarHBondContact CA-OD2 3.47Å; T275-D445 WeakPolarHBondContact CB-OD2 3.1Å
276	L	98.3	Very high	97.4	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-61.1	-31.8	175.7	-64.4	-174.2	0	0	0	112.1	M279 L280 Y357 Y360 M364 L372 D445 N470 F473	L276-M279 HydrophobicContact CD2-SD 3.86Å; L276-M279 WeakPolarHBondContact O-CB 3.21Å; L276-M279 PolarHBondContact O-N 2.83Å; L276-L280 PolarHBondContact O-N 2.8Å; L276-L280 VanDerWaalsContact O-N 3.09Å; L276-Y357 HydrophobicContact CD2-CD1 3.78Å; L276-Y357 HydrophobicContact CD2-CE1 4.1Å; L276-Y357 HydrophobicContact CD2-CG 4.49Å; L276-Y357 HydrophobicContact CG-CE1 4.42Å; L276-Y360 HydrophobicContact CD2-CD2 4.3Å; L276-M364 HydrophobicContact CB-CE 4.06Å; L276-M364 HydrophobicContact CB-SD 4.11Å; L276-M364 HydrophobicContact CD1-CE 4.45Å; L276-M364 HydrophobicContact CD1-SD 4.11Å; L276-M364 HydrophobicContact CD2-CE 3.89Å; L276-M364 HydrophobicContact CG-CE 4.35Å; L276-L372 HydrophobicContact CB-CD2 3.8Å; L276-D445 PolarHBondContact N-OD2 2.92Å; L276-N470 HydrophobicContact CD1-CB 3.99Å; L276-N470 WeakPolarHBondContact CD1-ND2 3.47Å; L276-F473 HydrophobicContact CD1-CD2 4.41Å; L276-F473 HydrophobicContact CD1-CE2 3.52Å; L276-F473 HydrophobicContact CD1-CZ 4.27Å
277	T	97.5	Very high	97.4	Very high	65 Å²	65	36.7 Å²	36.7	40%	0.399	18%	0.178	S	C	.	.	H	α-helix	trans	-64.3	-43.2	174.1	-58.8	0	0	0	0	111.6	T275 M279 L280 R281	T275-T277 PolarHBondContact O-N 3.13Å; T277-M279 VanDerWaalsContact C-N 3.3Å; T277-M279 PolarHBondContact O-N 3.26Å; T277-L280 PolarHBondContact O-N 2.87Å; T277-R281 PolarHBondContact O-N 3.34Å
278	D	98.3	Very high	97.5	Very high	36 Å²	36	36.5 Å²	36.5	19%	0.193	18%	0.182	C	C	.	.	H	α-helix	trans	-67.1	-32.7	176.7	-68.4	-38	0	0	0	111.9	I266 P274 T275 R281 Y282	I266-D278 HydrophobicContact CG2-CB 4.18Å; P274-D278 HydrophobicContact CB-CB 4.38Å; T275-D278 PolarHBondContact O-N 2.92Å; T275-D278 VanDerWaalsContact O-N 3.08Å; T275-D278 WeakPolarHBondContact OG1-CB 3.06Å; T275-D278 PolarHBondContact OG1-N 3.08Å; T275-D278 PolarHBondContact OG1-OD2 3.16Å; D278-R281 IonicContact OD1-CZ 3.68Å; D278-R281 IonicContact OD1-NH1 2.75Å; D278-R281 PolarHBondContact OD1-NH1 3.25Å; D278-Y282 VanDerWaalsContact O-CB 3.27Å; D278-Y282 WeakPolarHBondContact O-CB 3.2Å; D278-Y282 PolarHBondContact O-N 3.42Å
279	M	98.6	Very high	97.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.5	-45.1	173.3	-64.3	180	77.9	0	0	111.8	P274 T275 L276 T277 Y282 T283 M312 T315 Y357 Y361	P274-M279 HydrophobicContact CB-CG 3.96Å; P274-M279 HydrophobicContact CG-CG 3.41Å; P274-M279 VanDerWaalsContact CG-CG 3.41Å; P274-M279 HydrophobicContact CG-SD 3.82Å; T275-M279 WeakPolarHBondContact O-CG 3.32Å; T275-M279 PolarHBondContact O-N 2.86Å; L276-M279 HydrophobicContact CD2-SD 3.86Å; L276-M279 WeakPolarHBondContact O-CB 3.21Å; L276-M279 PolarHBondContact O-N 2.83Å; T277-M279 VanDerWaalsContact C-N 3.3Å; T277-M279 PolarHBondContact O-N 3.26Å; M279-Y282 WeakPolarHBondContact O-CB 3.38Å; M279-Y282 PolarHBondContact O-N 3.16Å; M279-T283 WeakPolarHBondContact O-CG2 3.39Å; M279-T283 PolarHBondContact O-N 2.78Å; M279-T283 PolarHBondContact O-OG1 2.77Å; M279-M312 HydrophobicContact CG-SD 4.48Å; M279-T315 HydrophobicContact CE-CG2 3.7Å; M279-T315 WeakPolarHBondContact CE-OG1 3.22Å; M279-Y357 WeakPolarHBondContact CE-O 3.43Å; M279-Y357 HydrophobicContact SD-CD1 4.22Å; M279-Y361 HydrophobicContact CB-CD2 3.89Å; M279-Y361 HydrophobicContact CB-CE2 4.23Å; M279-Y361 HydrophobicContact CE-CD2 4.02Å; M279-Y361 HydrophobicContact CE-CG 4.14Å
280	L	98.4	Very high	97.7	Very high	25 Å²	25	36.7 Å²	36.7	13%	0.131	18%	0.179	C	C	.	.	H	α-helix	trans	-64.5	-43.7	176.4	-70.5	174.6	0	0	0	112.2	L276 T277 Y282 T283 E284 Y361 M364 R370 L372	L276-L280 PolarHBondContact O-N 2.8Å; L276-L280 VanDerWaalsContact O-N 3.09Å; T277-L280 PolarHBondContact O-N 2.87Å; L280-Y282 VanDerWaalsContact C-N 3.3Å; L280-Y282 PolarHBondContact O-N 3.27Å; L280-T283 PolarHBondContact O-N 2.94Å; L280-T283 PolarHBondContact O-OG1 3.17Å; L280-T283 VanDerWaalsContact O-OG1 3.11Å; L280-E284 WeakPolarHBondContact O-CB 3.32Å; L280-E284 PolarHBondContact O-N 2.93Å; L280-Y361 HydrophobicContact CD2-CE2 3.88Å; L280-M364 HydrophobicContact CD1-SD 4.3Å; L280-M364 HydrophobicContact CD2-CE 4.4Å; L280-M364 HydrophobicContact CG-CE 4.34Å; L280-M364 HydrophobicContact CG-SD 4.45Å; L280-R370 HydrophobicContact CD2-CB 4.37Å; L280-R370 VanDerWaalsContact CD2-O 3.3Å; L280-R370 WeakPolarHBondContact CD2-O 3.28Å; L280-L372 HydrophobicContact CD1-CD2 3.76Å; L280-L372 HydrophobicContact CD1-CG 3.81Å
281	R	98.5	Very high	98	Very high	134 Å²	134	39.3 Å²	39.3	51%	0.506	20%	0.2	S	C	.	.	H	α-helix	trans	-60	-43.4	175.8	-173.3	-172.9	-61.7	129.6	6.1	111.2	T277 D278 S285	T277-R281 PolarHBondContact O-N 3.34Å; D278-R281 IonicContact OD1-CZ 3.68Å; D278-R281 IonicContact OD1-NH1 2.75Å; D278-R281 PolarHBondContact OD1-NH1 3.25Å; R281-S285 WeakPolarHBondContact O-CB 3.35Å; R281-S285 PolarHBondContact O-N 3.27Å
282	Y	98.7	Very high	98.2	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	22%	0.222	C	C	.	.	H	α-helix	trans	-60.4	-51.4	176.6	163.5	-107	0	0	0	111.9	Y246 I266 D278 M279 L280 E284 S285 V286 I300 M312 W316	Y246-Y282 AromaticContact CD1-CD2 3.58Å; Y246-Y282 HydrophobicContact CD1-CD2 3.58Å; Y246-Y282 AromaticContact CD1-CE2 3.61Å; Y246-Y282 HydrophobicContact CD1-CE2 3.61Å; Y246-Y282 HydrophobicContact CD2-CE2 4.21Å; Y246-Y282 AromaticContact CE1-CD2 3.66Å; Y246-Y282 HydrophobicContact CE1-CD2 3.66Å; Y246-Y282 AromaticContact CE1-CE2 3.85Å; Y246-Y282 HydrophobicContact CE1-CE2 3.85Å; Y246-Y282 HydrophobicContact CE2-CE2 4.44Å; Y246-Y282 HydrophobicContact CG-CD2 4.25Å; Y246-Y282 AromaticContact CG-CE2 3.79Å; Y246-Y282 HydrophobicContact CG-CE2 3.79Å; I266-Y282 HydrophobicContact CD1-CD2 3.32Å; I266-Y282 HydrophobicContact CD1-CE2 4.2Å; I266-Y282 HydrophobicContact CD1-CG 3.69Å; D278-Y282 VanDerWaalsContact O-CB 3.27Å; D278-Y282 WeakPolarHBondContact O-CB 3.2Å; D278-Y282 PolarHBondContact O-N 3.42Å; M279-Y282 WeakPolarHBondContact O-CB 3.38Å; M279-Y282 PolarHBondContact O-N 3.16Å; L280-Y282 VanDerWaalsContact C-N 3.3Å; L280-Y282 PolarHBondContact O-N 3.27Å; Y282-E284 VanDerWaalsContact C-N 3.33Å; Y282-E284 PolarHBondContact O-N 3.45Å; Y282-S285 WeakPolarHBondContact O-CB 3.45Å; Y282-S285 PolarHBondContact O-N 2.92Å; Y282-V286 HydrophobicContact CD2-CG2 3.76Å; Y282-V286 HydrophobicContact CE1-CG2 4.2Å; Y282-V286 HydrophobicContact CE2-CG2 3.37Å; Y282-V286 HydrophobicContact CG-CG2 4.39Å; Y282-V286 WeakPolarHBondContact O-CG2 3.38Å; Y282-V286 PolarHBondContact O-N 2.99Å; Y282-I300 WeakPolarHBondContact OH-CD1 3.44Å; Y282-M312 VanDerWaalsContact CB-CE 3.49Å; Y282-M312 HydrophobicContact CD1-CE 3.16Å; Y282-M312 HydrophobicContact CD2-CE 4.02Å; Y282-M312 HydrophobicContact CE1-CB 4Å; Y282-M312 HydrophobicContact CE1-CE 3.79Å; Y282-M312 WeakPolarHBondContact CE1-O 3.49Å; Y282-M312 HydrophobicContact CG-CE 3.26Å; Y282-M312 PolarHBondContact OH-O 3.14Å; Y282-M312 VanDerWaalsContact OH-O 3.08Å; Y282-W316 HydrophobicContact CE1-CB 4.27Å
283	T	98.6	Very high	98.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.9	-35.2	-176.7	54.1	0	0	0	0	112.1	M279 L280 V286 R287 T315 D319 Y361	M279-T283 WeakPolarHBondContact O-CG2 3.39Å; M279-T283 PolarHBondContact O-N 2.78Å; M279-T283 PolarHBondContact O-OG1 2.77Å; L280-T283 PolarHBondContact O-N 2.94Å; L280-T283 PolarHBondContact O-OG1 3.17Å; L280-T283 VanDerWaalsContact O-OG1 3.11Å; T283-V286 PolarHBondContact O-N 3Å; T283-R287 WeakPolarHBondContact O-CB 3.48Å; T283-R287 VanDerWaalsContact O-CG 3.3Å; T283-R287 WeakPolarHBondContact O-CG 3.31Å; T283-R287 PolarHBondContact O-N 2.96Å; T283-T315 HydrophobicContact CG2-CG2 3.63Å; T283-D319 HydrophobicContact CG2-CB 3.96Å; T283-Y361 WeakPolarHBondContact CB-OH 3.31Å; T283-Y361 HydrophobicContact CG2-CE1 4.26Å; T283-Y361 HydrophobicContact CG2-CE2 3.85Å; T283-Y361 VanDerWaalsContact CG2-OH 3.26Å; T283-Y361 WeakPolarHBondContact CG2-OH 3.34Å; T283-Y361 PolarHBondContact OG1-OH 3.45Å
284	E	98.5	Very high	98.2	Very high	107 Å²	107	47.8 Å²	47.8	50%	0.5	26%	0.263	S	S	.	.	H	α-helix	trans	-59.2	-48.4	169.8	-177.3	177.7	-146.3	0	0	111.9	L280 Y282 V286 R287 N288	L280-E284 WeakPolarHBondContact O-CB 3.32Å; L280-E284 PolarHBondContact O-N 2.93Å; Y282-E284 VanDerWaalsContact C-N 3.33Å; Y282-E284 PolarHBondContact O-N 3.45Å; E284-V286 VanDerWaalsContact C-N 3.32Å; E284-V286 PolarHBondContact O-N 2.88Å; E284-R287 PolarHBondContact O-N 3.5Å; E284-N288 WeakPolarHBondContact O-CB 3.35Å; E284-N288 VanDerWaalsContact O-CG 3.23Å; E284-N288 PolarHBondContact O-N 2.93Å; E284-N288 PolarHBondContact O-ND2 2.96Å
285	S	98.7	Very high	98.2	Very high	17 Å²	17	54.2 Å²	54.2	12%	0.119	29%	0.29	C	S	.	.	H	α-helix	trans	-58.1	-43.6	175.8	170.7	0	0	0	0	112.4	K244 Y246 E264 R281 Y282 W289	K244-S285 PolarHBondContact NZ-OG 3.3Å; Y246-S285 PolarHBondContact OH-OG 2.9Å; E264-S285 VanDerWaalsContact CD-OG 3.23Å; E264-S285 WeakPolarHBondContact OE1-CB 3.19Å; E264-S285 PolarHBondContact OE1-OG 3.09Å; E264-S285 PolarHBondContact OE2-OG 2.97Å; R281-S285 WeakPolarHBondContact O-CB 3.35Å; R281-S285 PolarHBondContact O-N 3.27Å; Y282-S285 WeakPolarHBondContact O-CB 3.45Å; Y282-S285 PolarHBondContact O-N 2.92Å; S285-W289 PolarHBondContact O-N 3.32Å
286	V	98.7	Very high	98.2	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-67.1	-45.2	177.7	177	0	0	0	0	110.9	Y246 Y282 T283 E284 N288 W289 M290 I298 W316	Y246-V286 HydrophobicContact CE1-CG2 4.05Å; Y246-V286 HydrophobicContact CE2-CG2 3.79Å; Y246-V286 VanDerWaalsContact CZ-CG2 3.46Å; Y246-V286 WeakPolarHBondContact OH-CA 3.39Å; Y246-V286 WeakPolarHBondContact OH-CG2 3.41Å; Y246-V286 PolarHBondContact OH-N 2.64Å; Y282-V286 HydrophobicContact CD2-CG2 3.76Å; Y282-V286 HydrophobicContact CE1-CG2 4.2Å; Y282-V286 HydrophobicContact CE2-CG2 3.37Å; Y282-V286 HydrophobicContact CG-CG2 4.39Å; Y282-V286 WeakPolarHBondContact O-CG2 3.38Å; Y282-V286 PolarHBondContact O-N 2.99Å; T283-V286 PolarHBondContact O-N 3Å; E284-V286 VanDerWaalsContact C-N 3.32Å; E284-V286 PolarHBondContact O-N 2.88Å; V286-N288 VanDerWaalsContact C-N 3.32Å; V286-N288 PolarHBondContact O-N 3.29Å; V286-W289 PolarHBondContact O-N 3.18Å; V286-M290 HydrophobicContact CG1-CG 3.66Å; V286-M290 VanDerWaalsContact O-CB 3.29Å; V286-M290 WeakPolarHBondContact O-CB 3.41Å; V286-M290 WeakPolarHBondContact O-CG 3.23Å; V286-M290 PolarHBondContact O-N 3.49Å; V286-I298 HydrophobicContact CG1-CD1 3.65Å; V286-I298 HydrophobicContact CG1-CG2 4.11Å; V286-I298 HydrophobicContact CG2-CD1 4.25Å; V286-W316 HydrophobicContact CB-CD2 4.33Å; V286-W316 HydrophobicContact CB-CE3 3.92Å; V286-W316 HydrophobicContact CB-CZ3 4.06Å; V286-W316 HydrophobicContact CG1-CD2 3.4Å; V286-W316 HydrophobicContact CG1-CE3 3.39Å; V286-W316 HydrophobicContact CG1-CG 4.11Å; V286-W316 HydrophobicContact CG1-CH2 3.71Å; V286-W316 HydrophobicContact CG1-CZ2 3.71Å; V286-W316 HydrophobicContact CG1-CZ3 3.56Å
287	R	98.4	Very high	98.3	Very high	65 Å²	65	52 Å²	52	25%	0.245	28%	0.277	C	S	.	.	H	α-helix	trans	-55.9	-47.1	176	-77.1	-167.6	-61.3	-99.5	2.6	111.3	T283 E284 W289 M290 S291 W316 D319 R370	T283-R287 WeakPolarHBondContact O-CB 3.48Å; T283-R287 VanDerWaalsContact O-CG 3.3Å; T283-R287 WeakPolarHBondContact O-CG 3.31Å; T283-R287 PolarHBondContact O-N 2.96Å; E284-R287 PolarHBondContact O-N 3.5Å; R287-W289 VanDerWaalsContact C-N 3.33Å; R287-W289 PolarHBondContact O-N 3.29Å; R287-M290 PolarHBondContact O-N 3.34Å; R287-S291 VanDerWaalsContact O-CB 3.26Å; R287-S291 WeakPolarHBondContact O-CB 3.21Å; R287-S291 PolarHBondContact O-N 2.87Å; R287-S291 PolarHBondContact O-OG 3.47Å; R287-W316 HydrophobicContact CG-CH2 4.09Å; R287-W316 HydrophobicContact CG-CZ3 3.66Å; R287-D319 WeakPolarHBondContact CD-OD1 3.31Å; R287-D319 WeakPolarHBondContact CG-OD1 3.38Å; R287-D319 IonicContact CZ-OD1 2.76Å; R287-D319 IonicContact NE-OD1 3.2Å; R287-D319 IonicContact NH1-OD1 3.93Å; R287-D319 PolarHBondContact NH1-OD1 3.12Å; R287-D319 IonicContact NH1-OD2 2.83Å; R287-D319 PolarHBondContact NH1-OD2 3.48Å; R287-R370 VanDerWaalsContact NH1-CD 3.32Å
288	N	98.6	Very high	98.3	Very high	102 Å²	102	49 Å²	49	55%	0.545	26%	0.258	S	S	.	.	H	α-helix	trans	-62.2	-41.8	179.3	-68.6	-16.5	0	0	0	111.5	E284 V286 S291 A292	E284-N288 WeakPolarHBondContact O-CB 3.35Å; E284-N288 VanDerWaalsContact O-CG 3.23Å; E284-N288 PolarHBondContact O-N 2.93Å; E284-N288 PolarHBondContact O-ND2 2.96Å; V286-N288 VanDerWaalsContact C-N 3.32Å; V286-N288 PolarHBondContact O-N 3.29Å; N288-S291 PolarHBondContact O-OG 3.19Å; N288-A292 PolarHBondContact O-N 2.98Å
289	W	98.6	Very high	98.3	Very high	48 Å²	48	47.2 Å²	47.2	18%	0.182	25%	0.248	C	C	.	.	H	α-helix	trans	-66.8	-48.8	176	176.4	-108.2	0	0	0	112.6	K244 S285 V286 R287 S291 A292 N296 I297	K244-W289 HydrophobicContact CB-CD2 3.75Å; K244-W289 HydrophobicContact CB-CE3 4.42Å; K244-W289 HydrophobicContact CB-CG 3.95Å; K244-W289 HydrophobicContact CB-CZ2 4.07Å; K244-W289 HydrophobicContact CD-CB 4.18Å; K244-W289 HydrophobicContact CD-CD2 4.07Å; K244-W289 HydrophobicContact CD-CE3 4.33Å; K244-W289 HydrophobicContact CD-CG 3.98Å; S285-W289 PolarHBondContact O-N 3.32Å; V286-W289 PolarHBondContact O-N 3.18Å; R287-W289 VanDerWaalsContact C-N 3.33Å; R287-W289 PolarHBondContact O-N 3.29Å; W289-S291 VanDerWaalsContact C-N 3.32Å; W289-S291 PolarHBondContact O-N 3.02Å; W289-A292 PolarHBondContact O-N 3.09Å; W289-N296 HydrophobicContact CD2-CB 4.49Å; W289-N296 HydrophobicContact CZ2-CB 4.17Å; W289-N296 PolarHBondContact O-ND2 2.78Å; W289-I297 PolarHBondContact NE1-O 2.94Å
290	M	98.1	Very high	98.3	Very high	20 Å²	20	47.2 Å²	47.2	10%	0.099	25%	0.248	C	C	.	.	H	α-helix	trans	-71.2	-26.9	-173.3	-66.9	-68.4	-74.7	0	0	113.1	R209 V286 R287 I298 W316	R209-M290 HydrophobicContact CB-CE 3.84Å; R209-M290 PolarHBondContact NH2-O 3.38Å; R209-M290 VanDerWaalsContact NH2-O 3.09Å; V286-M290 HydrophobicContact CG1-CG 3.66Å; V286-M290 VanDerWaalsContact O-CB 3.29Å; V286-M290 WeakPolarHBondContact O-CB 3.41Å; V286-M290 WeakPolarHBondContact O-CG 3.23Å; V286-M290 PolarHBondContact O-N 3.49Å; R287-M290 PolarHBondContact O-N 3.34Å; M290-I298 HydrophobicContact CG-CG2 4.32Å; M290-I298 HydrophobicContact SD-CG2 3.88Å; M290-W316 HydrophobicContact CB-CH2 4.24Å; M290-W316 HydrophobicContact CB-CZ2 4.08Å; M290-W316 HydrophobicContact CE-CZ2 4.16Å; M290-W316 HydrophobicContact CG-CH2 4.16Å; M290-W316 HydrophobicContact CG-CZ2 3.72Å
291	S	97.7	Very high	98.3	Very high	96 Å²	96	46 Å²	46	67%	0.671	24%	0.242	S	C	*	.	H	α-helix	trans	-81.9	-20.1	175.7	58.2	0	0	0	0	113.8	R287 N288 W289 D293	R287-S291 VanDerWaalsContact O-CB 3.26Å; R287-S291 WeakPolarHBondContact O-CB 3.21Å; R287-S291 PolarHBondContact O-N 2.87Å; R287-S291 PolarHBondContact O-OG 3.47Å; N288-S291 PolarHBondContact O-OG 3.19Å; W289-S291 VanDerWaalsContact C-N 3.32Å; W289-S291 PolarHBondContact O-N 3.02Å; S291-D293 VanDerWaalsContact C-N 3.32Å; S291-D293 PolarHBondContact O-N 3.02Å
292	A	98.3	Very high	98	Very high	75 Å²	75	39.9 Å²	39.9	62%	0.62	22%	0.219	S	C	*	.	H	α-helix	trans	-68	-30.6	-179.6	0	0	0	0	0	113.1	N288 W289	N288-A292 PolarHBondContact O-N 2.98Å; W289-A292 PolarHBondContact O-N 3.09Å
293	D	98.2	Very high	97.6	Very high	47 Å²	47	42.7 Å²	42.7	25%	0.251	23%	0.232	S	C	.	.			trans	-155	135	175.4	-167.5	-56.1	0	0	0	110.5	R209 H242 S291 K295 N296	R209-D293 PolarHBondContact NH2-O 3.38Å; R209-D293 VanDerWaalsContact NH2-O 3.15Å; H242-D293 IonicContact CE1-OD1 2.74Å; H242-D293 IonicContact CE1-OD2 3.45Å; H242-D293 PolarHBondContact CE1-OD2 3Å; H242-D293 IonicContact ND1-OD1 3.19Å; H242-D293 IonicContact ND1-OD2 3.98Å; S291-D293 VanDerWaalsContact C-N 3.32Å; S291-D293 PolarHBondContact O-N 3.02Å; D293-K295 PolarHBondContact O-N 3.49Å; D293-K295 VanDerWaalsContact OD1-CB 3.29Å; D293-K295 WeakPolarHBondContact OD1-CB 3.44Å; D293-K295 PolarHBondContact OD1-N 3.46Å; D293-N296 HydrophobicContact CB-CB 4.47Å; D293-N296 PolarHBondContact N-ND2 3.44Å; D293-N296 VanDerWaalsContact O-CB 3.28Å; D293-N296 WeakPolarHBondContact O-CB 3.35Å; D293-N296 PolarHBondContact O-N 3.39Å
294	P	96.8	Very high	97	Very high	106 Å²	106	43.6 Å²	43.6	69%	0.688	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.2	176.7	26.5	-36.7	0	0	0	114.6	R209 N296	R209-P294 PolarHBondContact NE-O 2.81Å; R209-P294 VanDerWaalsContact NE-O 3.17Å; R209-P294 PolarHBondContact NH1-O 2.94Å; R209-P294 PolarHBondContact NH2-O 3.32Å; P294-N296 VanDerWaalsContact C-N 3.35Å
295	K	97.4	Very high	96.4	Very high	140 Å²	140	38.5 Å²	38.5	61%	0.609	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-13.5	174.2	-62.1	178.9	-177.9	176.4	0	113.1	H242 D293 I297	H242-K295 HydrophobicContact CB-CB 4.27Å; D293-K295 PolarHBondContact O-N 3.49Å; D293-K295 VanDerWaalsContact OD1-CB 3.29Å; D293-K295 WeakPolarHBondContact OD1-CB 3.44Å; D293-K295 PolarHBondContact OD1-N 3.46Å; K295-I297 WeakPolarHBondContact O-CG2 3.24Å; K295-I297 PolarHBondContact O-N 2.7Å
296	N	98.6	Very high	96	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.032	22%	0.217	C	C	.	.			trans	-63.1	133.9	-176	-76.8	-10.5	0	0	0	111.4	R209 H242 W289 D293 P294	R209-N296 VanDerWaalsContact CZ-O 3.22Å; R209-N296 PolarHBondContact NE-O 2.89Å; R209-N296 PolarHBondContact NH2-O 3.27Å; H242-N296 WeakPolarHBondContact CA-OD1 3.11Å; H242-N296 PolarHBondContact ND1-OD1 2.86Å; H242-N296 CarbonylContact O-C 3.55Å; H242-N296 VanDerWaalsContact O-CA 3.29Å; H242-N296 WeakPolarHBondContact O-CA 2.98Å; W289-N296 HydrophobicContact CD2-CB 4.49Å; W289-N296 HydrophobicContact CZ2-CB 4.17Å; W289-N296 PolarHBondContact O-ND2 2.78Å; D293-N296 HydrophobicContact CB-CB 4.47Å; D293-N296 PolarHBondContact N-ND2 3.44Å; D293-N296 VanDerWaalsContact O-CB 3.28Å; D293-N296 WeakPolarHBondContact O-CB 3.35Å; D293-N296 PolarHBondContact O-N 3.39Å; P294-N296 VanDerWaalsContact C-N 3.35Å
297	I	98.6	Very high	95.7	Very high	3 Å²	3	39 Å²	39	2%	0.015	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	160.8	175.3	71.6	79.8	0	0	0	110.2	R209 I211 L235 H239 H242 Y243 K244 W289 K295	R209-I297 HydrophobicContact CB-CB 4.4Å; R209-I297 HydrophobicContact CB-CG2 3.92Å; R209-I297 HydrophobicContact CG-CG2 4.11Å; R209-I297 WeakPolarHBondContact O-CA 3.44Å; R209-I297 WeakPolarHBondContact O-CB 3.33Å; I211-I297 HydrophobicContact CD1-CD1 3.93Å; L235-I297 HydrophobicContact CD2-CD1 4.42Å; H239-I297 HydrophobicContact CB-CG1 4.05Å; H242-I297 PolarHBondContact O-N 2.94Å; Y243-I297 WeakPolarHBondContact CA-O 3.42Å; Y243-I297 VanDerWaalsContact CB-CD1 3.48Å; K244-I297 PolarHBondContact N-O 3.35Å; K244-I297 VanDerWaalsContact N-O 3.15Å; W289-I297 PolarHBondContact NE1-O 2.94Å; K295-I297 WeakPolarHBondContact O-CG2 3.24Å; K295-I297 PolarHBondContact O-N 2.7Å
298	I	98.8	Very high	95.6	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	139.7	171.4	61.9	-176.1	0	0	0	110.8	R209 V210 I211 K244 Y246 V286 M290 I300 W316	R209-I298 PolarHBondContact O-N 2.7Å; V210-I298 HydrophobicContact CB-CG1 4.44Å; V210-I298 HydrophobicContact CG1-CD1 4.37Å; V210-I298 HydrophobicContact CG1-CG1 4.23Å; V210-I298 HydrophobicContact CG2-CD1 4.26Å; V210-I298 HydrophobicContact CG2-CG1 4.18Å; I211-I298 PolarHBondContact N-O 3.09Å; K244-I298 WeakPolarHBondContact O-CA 3.43Å; Y246-I298 HydrophobicContact CD2-CB 4.26Å; Y246-I298 HydrophobicContact CD2-CG2 4.4Å; Y246-I298 HydrophobicContact CE2-CB 4.12Å; Y246-I298 HydrophobicContact CE2-CG2 3.75Å; V286-I298 HydrophobicContact CG1-CD1 3.65Å; V286-I298 HydrophobicContact CG1-CG2 4.11Å; V286-I298 HydrophobicContact CG2-CD1 4.25Å; M290-I298 HydrophobicContact CG-CG2 4.32Å; M290-I298 HydrophobicContact SD-CG2 3.88Å; I298-I300 HydrophobicContact CD1-CD1 3.78Å; I298-I300 HydrophobicContact CD1-CG1 4.35Å; I298-I300 HydrophobicContact CG1-CD1 4.11Å; I298-I300 HydrophobicContact CG1-CG1 4.36Å; I298-W316 HydrophobicContact CD1-CG 4.04Å
299	A	98.6	Very high	95.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	110	173.1	0	0	0	0	0	110	I211 M213 L235 K244 V245 Y246	I211-A299 HydrophobicContact CB-CB 4.16Å; I211-A299 HydrophobicContact CG2-CB 4.33Å; M213-A299 HydrophobicContact CE-CB 3.97Å; L235-A299 HydrophobicContact CD1-CB 4.44Å; L235-A299 HydrophobicContact CD2-CB 4.34Å; K244-A299 PolarHBondContact O-N 3.45Å; V245-A299 CarbonylContact C-O 3.5Å; V245-A299 VanDerWaalsContact CA-O 3.29Å; V245-A299 WeakPolarHBondContact CA-O 3.47Å; V245-A299 HydrophobicContact CG2-CB 4.43Å; Y246-A299 PolarHBondContact N-O 2.8Å
300	I	98.6	Very high	95.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.7	-173.1	-54.2	152.1	0	0	0	108.7	V210 I211 M213 Y246 L248 Y282 I298 T309 M312 V313	V210-I300 HydrophobicContact CG1-CD1 4.13Å; I211-I300 PolarHBondContact O-N 2.66Å; M213-I300 PolarHBondContact N-O 2.97Å; Y246-I300 HydrophobicContact CD2-CG1 4.4Å; L248-I300 HydrophobicContact CD1-CG2 3.7Å; L248-I300 HydrophobicContact CD2-CG2 4.45Å; L248-I300 HydrophobicContact CG-CG2 4.11Å; Y282-I300 WeakPolarHBondContact OH-CD1 3.44Å; I298-I300 HydrophobicContact CD1-CD1 3.78Å; I298-I300 HydrophobicContact CD1-CG1 4.35Å; I298-I300 HydrophobicContact CG1-CD1 4.11Å; I298-I300 HydrophobicContact CG1-CG1 4.36Å; I300-T309 HydrophobicContact CB-CG2 4.33Å; I300-T309 HydrophobicContact CG2-CG2 4.09Å; I300-T309 WeakPolarHBondContact O-CG2 3.37Å; I300-M312 HydrophobicContact CG2-CB 4.3Å; I300-V313 HydrophobicContact CB-CG2 4.33Å; I300-V313 HydrophobicContact CD1-CB 4.46Å; I300-V313 HydrophobicContact CD1-CG2 3.53Å
301	H	97.2	Very high	95.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	154.3	179.2	82.5	81	0	0	0	112.4	M213 F215 Y246 N247 L248 Y254	M213-H301 HydrophobicContact CE-CB 4.07Å; M213-H301 HydrophobicContact CG-CB 3.57Å; M213-H301 WeakPolarHBondContact O-CA 3.36Å; M213-H301 VanDerWaalsContact O-CB 3.28Å; M213-H301 WeakPolarHBondContact O-CB 3.48Å; F215-H301 AromaticContact CD2-CE1 3.66Å; F215-H301 AromaticContact CD2-ND1 3.8Å; F215-H301 AromaticContact CE2-CE1 3.97Å; Y246-H301 PolarHBondContact O-CD2 3.43Å; Y246-H301 PolarHBondContact O-N 3.09Å; N247-H301 WeakPolarHBondContact CB-NE2 3.49Å; N247-H301 VanDerWaalsContact CG-CE1 3.43Å; N247-H301 PolarHBondContact OD1-CE1 3.12Å; L248-H301 WeakPolarHBondContact CB-O 3.29Å; L248-H301 WeakPolarHBondContact CG-O 3.47Å; L248-H301 PolarHBondContact N-O 3.43Å; Y254-H301 AromaticContact CE1-CE1 3.63Å; Y254-H301 AromaticContact CE1-NE2 3.47Å; Y254-H301 WeakPolarHBondContact CE1-NE2 3.31Å; Y254-H301 AromaticContact CZ-NE2 3.49Å; Y254-H301 PolarHBondContact OH-NE2 3.4Å
302	C	93.1	Very high	95.5	Very high	4 Å²	4	23.3 Å²	23.3	3%	0.027	14%	0.135	C	C	.	.			trans	-126.6	-144.1	165.4	70.4	0	0	0	0	108.1	F215 L248 G304 G305 R308 T309	F215-C302 WeakPolarHBondContact CA-O 3.39Å; F215-C302 VanDerWaalsContact CB-O 3.28Å; F215-C302 WeakPolarHBondContact CB-O 3.26Å; F215-C302 PolarHBondContact N-O 3.15Å; L248-C302 HydrophobicContact CB-CB 4.02Å; C302-G304 PolarHBondContact SG-N 3.05Å; C302-G305 PolarHBondContact SG-N 2.9Å; C302-R308 HydrophobicContact CB-CB 3.8Å; C302-T309 PolarHBondContact N-OG1 3.46Å; C302-T309 VanDerWaalsContact N-OG1 3.12Å; C302-T309 PolarHBondContact SG-OG1 3.32Å; C302-T309 VanDerWaalsContact SG-OG1 3.36Å
303	K	89.8	Confident	95.5	Very high	60 Å²	60	19.7 Å²	19.7	26%	0.261	11%	0.106	S	C	.	.	S	Bend	trans	-70.7	-63.9	167.6	-173.9	176.3	170.8	-166	0	110.4	F215 R225 C249 D270 R308	F215-K303 PolarHBondContact N-O 3.35Å; R225-K303 VanDerWaalsContact NH1-C 3.34Å; R225-K303 PolarHBondContact NH1-O 3.4Å; R225-K303 VanDerWaalsContact NH2-CG 3.28Å; C249-K303 PolarHBondContact SG-N 3.48Å; D270-K303 IonicContact OD2-NZ 2.83Å; D270-K303 PolarHBondContact OD2-NZ 2.79Å; K303-R308 VanDerWaalsContact CB-NH2 3.29Å
304	G	85.4	Confident	95.6	Very high	20 Å²	20	17.5 Å²	17.5	21%	0.206	9%	0.094	C	C	.	.	S	Bend	trans	-85.9	-18.7	-173.4	0	0	0	0	0	115.5	K191 C302 K306	K191-G304 PolarHBondContact NZ-O 3.45Å; C302-G304 PolarHBondContact SG-N 3.05Å; G304-K306 VanDerWaalsContact C-N 3.31Å
305	G	86.5	Confident	95.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	64.7	35.7	-167.5	0	0	0	0	0	112.7	M213 C302 R337	M213-G305 VanDerWaalsContact O-CA 3.24Å; M213-G305 WeakPolarHBondContact O-CA 3.34Å; C302-G305 PolarHBondContact SG-N 2.9Å; G305-R337 PolarHBondContact O-NE 3.5Å; G305-R337 PolarHBondContact O-NH2 3.19Å
306	K	89.3	Confident	95.7	Very high	25 Å²	25	6.4 Å²	6.4	11%	0.109	3%	0.034	C	C	.	.	S	Bend	trans	-123.8	-115.1	-177.8	-57	-176.4	-165.6	-162.8	0	109.3	E189 K191 G304 R308 T309 G310 Q347 E350	E189-K306 IonicContact OE2-NZ 3.48Å; E189-K306 PolarHBondContact OE2-NZ 2.99Å; K191-K306 HydrophobicContact CD-CD 4.35Å; K191-K306 HydrophobicContact CD-CG 3.93Å; G304-K306 VanDerWaalsContact C-N 3.31Å; K306-R308 PolarHBondContact O-N 2.76Å; K306-T309 CarbonylContact O-C 3.59Å; K306-T309 PolarHBondContact O-N 3.4Å; K306-T309 VanDerWaalsContact O-N 3.11Å; K306-G310 PolarHBondContact O-N 2.76Å; K306-Q347 VanDerWaalsContact CD-OE1 3.3Å; K306-E350 HydrophobicContact CB-CG 4.13Å; K306-E350 VanDerWaalsContact CD-OE1 3.24Å; K306-E350 WeakPolarHBondContact CD-OE1 3.44Å
307	G	92.9	Very high	95.7	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.01	3%	0.033	C	C	.	.	H	α-helix	trans	-31.8	-79.5	-179.7	0	0	0	0	0	116.3	T309 G310 T311	G307-T309 VanDerWaalsContact C-N 3.28Å; G307-T309 PolarHBondContact O-N 2.57Å; G307-G310 PolarHBondContact O-N 2.96Å; G307-G310 VanDerWaalsContact O-N 3.1Å; G307-T311 PolarHBondContact O-N 3.47Å; G307-T311 PolarHBondContact O-OG1 3.14Å; G307-T311 VanDerWaalsContact O-OG1 3.06Å
308	R	96.7	Very high	95.7	Very high	2 Å²	2	6 Å²	6	1%	0.008	3%	0.032	C	C	.	.	H	α-helix	trans	-52.3	-43.3	-179.6	-65	178.5	-85.3	179.4	-4.5	113.3	L248 E251 I268 D269 D270 C302 K303 K306 T311 M312	L248-R308 HydrophobicContact CB-CB 4.38Å; L248-R308 HydrophobicContact CD1-CB 4.13Å; L248-R308 WeakPolarHBondContact CD1-O 3.28Å; E251-R308 IonicContact OE1-CZ 3.5Å; E251-R308 IonicContact OE1-NH1 3.17Å; E251-R308 PolarHBondContact OE1-NH1 3.12Å; E251-R308 IonicContact OE1-NH2 2.91Å; E251-R308 PolarHBondContact OE1-NH2 2.77Å; E251-R308 IonicContact OE2-CZ 2.78Å; E251-R308 IonicContact OE2-NH1 2.94Å; E251-R308 PolarHBondContact OE2-NH1 3.03Å; E251-R308 IonicContact OE2-NH2 2.77Å; I268-R308 HydrophobicContact CB-CG 4.19Å; I268-R308 HydrophobicContact CG2-CG 3.77Å; I268-R308 VanDerWaalsContact O-CD 3.31Å; I268-R308 WeakPolarHBondContact O-CD 3.27Å; I268-R308 PolarHBondContact O-NH1 2.84Å; D269-R308 WeakPolarHBondContact O-CD 3.47Å; D270-R308 VanDerWaalsContact CG-NH2 3.33Å; D270-R308 IonicContact OD1-CZ 3.15Å; D270-R308 IonicContact OD1-NE 3.83Å; D270-R308 PolarHBondContact OD1-NE 2.91Å; D270-R308 IonicContact OD1-NH2 3.8Å; D270-R308 PolarHBondContact OD1-NH2 3.17Å; C302-R308 HydrophobicContact CB-CB 3.8Å; K303-R308 VanDerWaalsContact CB-NH2 3.29Å; K306-R308 PolarHBondContact O-N 2.76Å; R308-T311 PolarHBondContact O-N 3.11Å; R308-M312 PolarHBondContact O-N 3.37Å
309	T	97.3	Very high	95.6	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-65.6	-45.9	179.7	-64.4	0	0	0	0	111	A212 I300 C302 K306 G307 T311 M312 V313	A212-T309 HydrophobicContact CB-CG2 3.71Å; I300-T309 HydrophobicContact CB-CG2 4.33Å; I300-T309 HydrophobicContact CG2-CG2 4.09Å; I300-T309 WeakPolarHBondContact O-CG2 3.37Å; C302-T309 PolarHBondContact N-OG1 3.46Å; C302-T309 VanDerWaalsContact N-OG1 3.12Å; C302-T309 PolarHBondContact SG-OG1 3.32Å; C302-T309 VanDerWaalsContact SG-OG1 3.36Å; K306-T309 CarbonylContact O-C 3.59Å; K306-T309 PolarHBondContact O-N 3.4Å; K306-T309 VanDerWaalsContact O-N 3.11Å; G307-T309 VanDerWaalsContact C-N 3.28Å; G307-T309 PolarHBondContact O-N 2.57Å; T309-T311 PolarHBondContact O-N 3.14Å; T309-M312 PolarHBondContact O-N 2.79Å; T309-V313 HydrophobicContact CG2-CG2 4.07Å; T309-V313 WeakPolarHBondContact O-CB 3.37Å; T309-V313 WeakPolarHBondContact O-CG2 3.18Å; T309-V313 PolarHBondContact O-N 3.29Å
310	G	97.1	Very high	95.6	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-59.2	-45.5	176	0	0	0	0	0	111.7	K306 G307 M312 V313 C314 F333	K306-G310 PolarHBondContact O-N 2.76Å; G307-G310 PolarHBondContact O-N 2.96Å; G307-G310 VanDerWaalsContact O-N 3.1Å; G310-M312 VanDerWaalsContact C-N 3.32Å; G310-M312 PolarHBondContact O-N 3.38Å; G310-V313 PolarHBondContact O-N 3.21Å; G310-C314 VanDerWaalsContact O-CB 3.3Å; G310-C314 WeakPolarHBondContact O-CB 3.34Å; G310-C314 PolarHBondContact O-N 3.44Å; G310-C314 PolarHBondContact O-SG 2.94Å; G310-F333 VanDerWaalsContact CA-CZ 3.43Å
311	T	98.4	Very high	95.5	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-52.3	-50.6	175.5	-50.5	0	0	0	0	111.5	P274 G307 R308 T309 T315 Q354 V358	P274-T311 HydrophobicContact CG-CG2 4.43Å; G307-T311 PolarHBondContact O-N 3.47Å; G307-T311 PolarHBondContact O-OG1 3.14Å; G307-T311 VanDerWaalsContact O-OG1 3.06Å; R308-T311 PolarHBondContact O-N 3.11Å; T309-T311 PolarHBondContact O-N 3.14Å; T311-T315 VanDerWaalsContact O-CB 3.24Å; T311-T315 WeakPolarHBondContact O-CB 3.35Å; T311-T315 PolarHBondContact O-N 2.81Å; T311-T315 PolarHBondContact O-OG1 3.01Å; T311-Q354 WeakPolarHBondContact OG1-CB 3.32Å; T311-Q354 WeakPolarHBondContact OG1-CG 3.27Å; T311-V358 HydrophobicContact CG2-CG2 4Å
312	M	98.6	Very high	95.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-77.4	-29.2	-176.8	-57.5	-50.8	-75.1	0	0	113.3	L248 I266 I268 P274 M279 Y282 I300 R308 T309 G310 W316	L248-M312 HydrophobicContact CD1-CB 4Å; L248-M312 HydrophobicContact CD1-CG 3.6Å; L248-M312 HydrophobicContact CD2-CB 4.45Å; L248-M312 HydrophobicContact CD2-CG 3.82Å; L248-M312 HydrophobicContact CG-CG 4.37Å; I266-M312 HydrophobicContact CD1-CE 4Å; I268-M312 HydrophobicContact CD1-CG 4.03Å; I268-M312 HydrophobicContact CD1-SD 4.08Å; P274-M312 HydrophobicContact CB-SD 4.38Å; P274-M312 HydrophobicContact CG-SD 3.86Å; M279-M312 HydrophobicContact CG-SD 4.48Å; Y282-M312 VanDerWaalsContact CB-CE 3.49Å; Y282-M312 HydrophobicContact CD1-CE 3.16Å; Y282-M312 HydrophobicContact CD2-CE 4.02Å; Y282-M312 HydrophobicContact CE1-CB 4Å; Y282-M312 HydrophobicContact CE1-CE 3.79Å; Y282-M312 WeakPolarHBondContact CE1-O 3.49Å; Y282-M312 HydrophobicContact CG-CE 3.26Å; Y282-M312 PolarHBondContact OH-O 3.14Å; Y282-M312 VanDerWaalsContact OH-O 3.08Å; I300-M312 HydrophobicContact CG2-CB 4.3Å; R308-M312 PolarHBondContact O-N 3.37Å; T309-M312 PolarHBondContact O-N 2.79Å; G310-M312 VanDerWaalsContact C-N 3.32Å; G310-M312 PolarHBondContact O-N 3.38Å; M312-W316 PolarHBondContact O-N 2.94Å; M312-W316 VanDerWaalsContact O-N 3.16Å
313	V	98.6	Very high	95.5	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.8	-54.9	171.8	167.1	0	0	0	0	110.3	V206 V210 A212 I300 T309 G310 T315 W316 L317 F333	V206-V313 HydrophobicContact CB-CG1 4.31Å; V206-V313 HydrophobicContact CG1-CG1 3.83Å; V206-V313 HydrophobicContact CG2-CG1 4.2Å; V210-V313 HydrophobicContact CG1-CG1 4.16Å; V210-V313 HydrophobicContact CG1-CG2 4.27Å; A212-V313 HydrophobicContact CB-CG2 4.41Å; I300-V313 HydrophobicContact CB-CG2 4.33Å; I300-V313 HydrophobicContact CD1-CB 4.46Å; I300-V313 HydrophobicContact CD1-CG2 3.53Å; T309-V313 HydrophobicContact CG2-CG2 4.07Å; T309-V313 WeakPolarHBondContact O-CB 3.37Å; T309-V313 WeakPolarHBondContact O-CG2 3.18Å; T309-V313 PolarHBondContact O-N 3.29Å; G310-V313 PolarHBondContact O-N 3.21Å; V313-T315 VanDerWaalsContact C-N 3.29Å; V313-T315 PolarHBondContact O-N 2.89Å; V313-W316 WeakPolarHBondContact O-CB 3.48Å; V313-W316 PolarHBondContact O-N 2.99Å; V313-L317 HydrophobicContact CG1-CD1 4.08Å; V313-L317 HydrophobicContact CG1-CG 4.32Å; V313-L317 WeakPolarHBondContact O-CG 3.48Å; V313-L317 PolarHBondContact O-N 3.45Å; V313-F333 HydrophobicContact CB-CD2 4.13Å; V313-F333 HydrophobicContact CB-CE2 4.22Å; V313-F333 HydrophobicContact CG1-CD2 3.7Å; V313-F333 HydrophobicContact CG1-CE2 4.17Å; V313-F333 HydrophobicContact CG2-CE2 4.21Å
314	C	98.5	Very high	95.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.4	-41.6	179.1	-64.1	0	0	0	0	111.1	G310 W316 L317 I318 S329 L330 F333 V358	G310-C314 VanDerWaalsContact O-CB 3.3Å; G310-C314 WeakPolarHBondContact O-CB 3.34Å; G310-C314 PolarHBondContact O-N 3.44Å; G310-C314 PolarHBondContact O-SG 2.94Å; C314-W316 VanDerWaalsContact C-N 3.29Å; C314-W316 PolarHBondContact O-N 3.47Å; C314-L317 WeakPolarHBondContact O-CB 3.45Å; C314-L317 PolarHBondContact O-N 2.97Å; C314-L317 VanDerWaalsContact O-N 3.15Å; C314-I318 VanDerWaalsContact O-CG1 3.31Å; C314-I318 WeakPolarHBondContact O-CG1 3.15Å; C314-I318 PolarHBondContact O-N 3.15Å; C314-S329 WeakPolarHBondContact CB-OG 3.32Å; C314-S329 PolarHBondContact SG-O 2.96Å; C314-L330 HydrophobicContact CB-CD2 4.28Å; C314-F333 VanDerWaalsContact SG-CB 3.55Å; C314-V358 HydrophobicContact CB-CG1 3.89Å; C314-V358 HydrophobicContact CB-CG2 4.13Å
315	T	98.6	Very high	96.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-54.3	-43.9	172.5	-62.5	0	0	0	0	112.3	M279 T283 T311 V313 D319 Y361	M279-T315 HydrophobicContact CE-CG2 3.7Å; M279-T315 WeakPolarHBondContact CE-OG1 3.22Å; T283-T315 HydrophobicContact CG2-CG2 3.63Å; T311-T315 VanDerWaalsContact O-CB 3.24Å; T311-T315 WeakPolarHBondContact O-CB 3.35Å; T311-T315 PolarHBondContact O-N 2.81Å; T311-T315 PolarHBondContact O-OG1 3.01Å; V313-T315 VanDerWaalsContact C-N 3.29Å; V313-T315 PolarHBondContact O-N 2.89Å; T315-D319 WeakPolarHBondContact O-CB 3.44Å; T315-D319 PolarHBondContact O-N 3.23Å; T315-Y361 HydrophobicContact CG2-CD1 3.81Å; T315-Y361 HydrophobicContact CG2-CD2 3.63Å; T315-Y361 HydrophobicContact CG2-CE1 4.03Å; T315-Y361 HydrophobicContact CG2-CE2 3.82Å; T315-Y361 HydrophobicContact CG2-CG 3.64Å
316	W	98.6	Very high	96.6	Very high	14 Å²	14	25.2 Å²	25.2	5%	0.053	13%	0.128	C	C	.	.	H	α-helix	trans	-70.2	-40.4	176.2	171.7	-115.4	0	0	0	112.8	Y282 V286 R287 M290 I298 M312 V313 C314 I318 D319 S320	Y282-W316 HydrophobicContact CE1-CB 4.27Å; V286-W316 HydrophobicContact CB-CD2 4.33Å; V286-W316 HydrophobicContact CB-CE3 3.92Å; V286-W316 HydrophobicContact CB-CZ3 4.06Å; V286-W316 HydrophobicContact CG1-CD2 3.4Å; V286-W316 HydrophobicContact CG1-CE3 3.39Å; V286-W316 HydrophobicContact CG1-CG 4.11Å; V286-W316 HydrophobicContact CG1-CH2 3.71Å; V286-W316 HydrophobicContact CG1-CZ2 3.71Å; V286-W316 HydrophobicContact CG1-CZ3 3.56Å; R287-W316 HydrophobicContact CG-CH2 4.09Å; R287-W316 HydrophobicContact CG-CZ3 3.66Å; M290-W316 HydrophobicContact CB-CH2 4.24Å; M290-W316 HydrophobicContact CB-CZ2 4.08Å; M290-W316 HydrophobicContact CE-CZ2 4.16Å; M290-W316 HydrophobicContact CG-CH2 4.16Å; M290-W316 HydrophobicContact CG-CZ2 3.72Å; I298-W316 HydrophobicContact CD1-CG 4.04Å; M312-W316 PolarHBondContact O-N 2.94Å; M312-W316 VanDerWaalsContact O-N 3.16Å; V313-W316 WeakPolarHBondContact O-CB 3.48Å; V313-W316 PolarHBondContact O-N 2.99Å; C314-W316 VanDerWaalsContact C-N 3.29Å; C314-W316 PolarHBondContact O-N 3.47Å; W316-I318 PolarHBondContact O-N 3.09Å; W316-D319 HydrophobicContact CE3-CB 4.1Å; W316-D319 HydrophobicContact CZ3-CB 4.45Å; W316-D319 PolarHBondContact O-N 3.22Å; W316-D319 VanDerWaalsContact O-N 3.16Å; W316-S320 WeakPolarHBondContact O-CB 3.4Å; W316-S320 PolarHBondContact O-N 3.17Å; W316-S320 PolarHBondContact O-OG 3.2Å
317	L	98.3	Very high	96.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.8	-39.7	176	-69.4	179.5	0	0	0	111.5	V206 T207 V313 C314 Q322 F323 Y332	V206-L317 HydrophobicContact CG1-CD1 4.29Å; T207-L317 HydrophobicContact CG2-CD2 3.92Å; V313-L317 HydrophobicContact CG1-CD1 4.08Å; V313-L317 HydrophobicContact CG1-CG 4.32Å; V313-L317 WeakPolarHBondContact O-CG 3.48Å; V313-L317 PolarHBondContact O-N 3.45Å; C314-L317 WeakPolarHBondContact O-CB 3.45Å; C314-L317 PolarHBondContact O-N 2.97Å; C314-L317 VanDerWaalsContact O-N 3.15Å; L317-Q322 HydrophobicContact CD2-CB 4.31Å; L317-Q322 PolarHBondContact O-N 3.29Å; L317-F323 HydrophobicContact CB-CD2 3.86Å; L317-F323 HydrophobicContact CD1-CD2 4.19Å; L317-F323 HydrophobicContact CD1-CE2 4.09Å; L317-F323 HydrophobicContact CD2-CE2 4.5Å; L317-F323 HydrophobicContact CG-CD2 4.41Å; L317-F323 PolarHBondContact O-N 2.86Å; L317-Y332 HydrophobicContact CD1-CD1 3.94Å; L317-Y332 HydrophobicContact CD1-CE1 4.2Å
318	I	98.3	Very high	96.9	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-67	-52	171	-63.2	-68.1	0	0	0	110.4	C314 W316 S320 D321 F323 S325 V358 Y361 E362 K365	C314-I318 VanDerWaalsContact O-CG1 3.31Å; C314-I318 WeakPolarHBondContact O-CG1 3.15Å; C314-I318 PolarHBondContact O-N 3.15Å; W316-I318 PolarHBondContact O-N 3.09Å; I318-S320 PolarHBondContact O-N 2.89Å; I318-D321 PolarHBondContact O-N 3.44Å; I318-D321 VanDerWaalsContact O-N 3.13Å; I318-F323 HydrophobicContact CD1-CB 3.94Å; I318-S325 VanDerWaalsContact CD1-C 3.43Å; I318-S325 WeakPolarHBondContact CD1-O 3.28Å; I318-V358 HydrophobicContact CG1-CG1 4.4Å; I318-Y361 HydrophobicContact CG2-CD1 4.23Å; I318-E362 HydrophobicContact CG2-CB 4.23Å; I318-E362 HydrophobicContact CG2-CG 4.5Å; I318-K365 HydrophobicContact CG2-CD 3.82Å; I318-K365 VanDerWaalsContact O-CD 3.29Å; I318-K365 WeakPolarHBondContact O-CD 3.36Å; I318-K365 WeakPolarHBondContact O-CE 3.5Å; I318-K365 PolarHBondContact O-NZ 3.44Å
319	D	98.3	Very high	96.9	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-58.4	-35.1	-175.9	-167.6	-111.7	0	0	0	114.3	T283 R287 T315 W316 D321 Y361 R370	T283-D319 HydrophobicContact CG2-CB 3.96Å; R287-D319 WeakPolarHBondContact CD-OD1 3.31Å; R287-D319 WeakPolarHBondContact CG-OD1 3.38Å; R287-D319 IonicContact CZ-OD1 2.76Å; R287-D319 IonicContact NE-OD1 3.2Å; R287-D319 IonicContact NH1-OD1 3.93Å; R287-D319 PolarHBondContact NH1-OD1 3.12Å; R287-D319 IonicContact NH1-OD2 2.83Å; R287-D319 PolarHBondContact NH1-OD2 3.48Å; T315-D319 WeakPolarHBondContact O-CB 3.44Å; T315-D319 PolarHBondContact O-N 3.23Å; W316-D319 HydrophobicContact CE3-CB 4.1Å; W316-D319 HydrophobicContact CZ3-CB 4.45Å; W316-D319 PolarHBondContact O-N 3.22Å; W316-D319 VanDerWaalsContact O-N 3.16Å; D319-D321 VanDerWaalsContact C-N 3.34Å; D319-Y361 HydrophobicContact CB-CE1 3.79Å; D319-Y361 VanDerWaalsContact CG-OH 3.28Å; D319-Y361 PolarHBondContact OD2-OH 2.81Å; D319-R370 PolarHBondContact O-NH2 3.32Å; D319-R370 IonicContact OD2-NE 2.73Å; D319-R370 PolarHBondContact OD2-NE 2.59Å; D319-R370 VanDerWaalsContact OD2-NE 3.15Å
320	S	96.9	Very high	96.7	Very high	34 Å²	34	33.6 Å²	33.6	24%	0.238	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	13.3	-178.4	60.8	0	0	0	0	114.5	W316 I318 Q322	W316-S320 WeakPolarHBondContact O-CB 3.4Å; W316-S320 PolarHBondContact O-N 3.17Å; W316-S320 PolarHBondContact O-OG 3.2Å; I318-S320 PolarHBondContact O-N 2.89Å; S320-Q322 PolarHBondContact O-N 3.14Å; S320-Q322 VanDerWaalsContact O-N 3.09Å; S320-Q322 PolarHBondContact OG-NE2 3.04Å
321	D	96.3	Very high	96.5	Very high	110 Å²	110	37 Å²	37	59%	0.588	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	18.7	175.9	-60.1	-67.1	0	0	0	114.4	I318 D319 F323 K365	I318-D321 PolarHBondContact O-N 3.44Å; I318-D321 VanDerWaalsContact O-N 3.13Å; D319-D321 VanDerWaalsContact C-N 3.34Å; D321-F323 VanDerWaalsContact C-N 3.3Å; D321-K365 WeakPolarHBondContact OD1-CE 3.5Å; D321-K365 IonicContact OD1-NZ 2.76Å; D321-K365 PolarHBondContact OD1-NZ 3.13Å
322	Q	94.9	Very high	96.2	Very high	87 Å²	87	38.9 Å²	38.9	41%	0.407	20%	0.197	S	C	.	.	S	Bend	trans	-75.9	-25.4	173	-69.1	176.4	69.6	0	0	111.7	L317 S320	L317-Q322 HydrophobicContact CD2-CB 4.31Å; L317-Q322 PolarHBondContact O-N 3.29Å; S320-Q322 PolarHBondContact O-N 3.14Å; S320-Q322 VanDerWaalsContact O-N 3.09Å; S320-Q322 PolarHBondContact OG-NE2 3.04Å
323	F	95.6	Very high	96	Very high	45 Å²	45	38.9 Å²	38.9	20%	0.197	20%	0.197	C	C	.	.			trans	-137.3	143.3	173.3	-71.4	-98.2	0	0	0	109.2	L317 I318 D321 D328 Y332	L317-F323 HydrophobicContact CB-CD2 3.86Å; L317-F323 HydrophobicContact CD1-CD2 4.19Å; L317-F323 HydrophobicContact CD1-CE2 4.09Å; L317-F323 HydrophobicContact CD2-CE2 4.5Å; L317-F323 HydrophobicContact CG-CD2 4.41Å; L317-F323 PolarHBondContact O-N 2.86Å; I318-F323 HydrophobicContact CD1-CB 3.94Å; D321-F323 VanDerWaalsContact C-N 3.3Å; F323-D328 HydrophobicContact CD1-CB 3.92Å; F323-D328 HydrophobicContact CE1-CB 4.4Å; F323-Y332 HydrophobicContact CE1-CD2 4.41Å; F323-Y332 HydrophobicContact CE1-CG 4.07Å; F323-Y332 AromaticContact CE2-CD1 3.89Å; F323-Y332 HydrophobicContact CE2-CD1 3.89Å; F323-Y332 HydrophobicContact CE2-CE1 4.18Å; F323-Y332 HydrophobicContact CE2-CG 4.07Å; F323-Y332 AromaticContact CZ-CD1 3.67Å; F323-Y332 HydrophobicContact CZ-CD1 3.67Å; F323-Y332 AromaticContact CZ-CD2 3.65Å; F323-Y332 HydrophobicContact CZ-CD2 3.65Å; F323-Y332 HydrophobicContact CZ-CE1 4.2Å; F323-Y332 HydrophobicContact CZ-CE2 4.15Å; F323-Y332 AromaticContact CZ-CG 3.36Å; F323-Y332 HydrophobicContact CZ-CG 3.36Å
324	E	92.8	Very high	95.6	Very high	171 Å²	171	39 Å²	39	80%	0.799	20%	0.197	S	C	*	.	S	Bend	trans	-92.5	-35.9	173.7	-63.8	-175	173.6	0	0	111.6	E362	E324-E362 WeakPolarHBondContact O-CG 3.39Å
325	S	95.9	Very high	95	Very high	32 Å²	32	44 Å²	44	22%	0.224	22%	0.221	C	C	.	.			trans	-100	128.5	-176.5	163.4	0	0	0	0	112	I318 Q327 D328 S329	I318-S325 VanDerWaalsContact CD1-C 3.43Å; I318-S325 WeakPolarHBondContact CD1-O 3.28Å; S325-Q327 PolarHBondContact O-N 3.46Å; S325-Q327 PolarHBondContact OG-N 3.43Å; S325-D328 WeakPolarHBondContact CB-OD2 3.48Å; S325-D328 PolarHBondContact O-N 2.83Å; S325-D328 PolarHBondContact OG-N 3.49Å; S325-S329 PolarHBondContact O-N 3.44Å; S325-S329 VanDerWaalsContact O-N 3.13Å
326	A	96.1	Very high	94.5	Very high	6 Å²	6	47.2 Å²	47.2	5%	0.05	23%	0.233	C	C	.	.	H	α-helix	trans	-55.9	-42.2	172.7	0	0	0	0	0	111.3	D328 S329 L330 V358 E362	A326-D328 PolarHBondContact O-N 2.95Å; A326-S329 PolarHBondContact O-N 3.43Å; A326-S329 PolarHBondContact O-OG 3.33Å; A326-L330 WeakPolarHBondContact O-CD1 3.36Å; A326-L330 WeakPolarHBondContact O-CG 3.2Å; A326-L330 PolarHBondContact O-N 3.12Å; A326-V358 HydrophobicContact CB-CB 4.36Å; A326-V358 HydrophobicContact CB-CG1 3.76Å; A326-E362 HydrophobicContact CB-CB 4.33Å; A326-E362 WeakPolarHBondContact CB-OE2 3.34Å; A326-E362 PolarHBondContact N-OE2 2.64Å
327	Q	94.5	Very high	94	Very high	103 Å²	103	46.5 Å²	46.5	48%	0.481	23%	0.23	S	C	.	.	H	α-helix	trans	-60.7	-47.9	-179.3	-175.5	55.8	49.5	0	0	111.4	S325 S329 L330 D331	S325-Q327 PolarHBondContact O-N 3.46Å; S325-Q327 PolarHBondContact OG-N 3.43Å; Q327-S329 VanDerWaalsContact C-N 3.29Å; Q327-S329 PolarHBondContact O-N 2.87Å; Q327-L330 WeakPolarHBondContact O-CB 3.26Å; Q327-L330 PolarHBondContact O-N 3.49Å; Q327-L330 VanDerWaalsContact O-N 3.11Å; Q327-D331 VanDerWaalsContact NE2-CG 3.25Å; Q327-D331 PolarHBondContact NE2-OD1 3.36Å; Q327-D331 VanDerWaalsContact NE2-OD1 3.09Å; Q327-D331 PolarHBondContact NE2-OD2 2.84Å; Q327-D331 PolarHBondContact O-N 3.12Å
328	D	94.2	Very high	93.3	Very high	91 Å²	91	46.9 Å²	46.9	49%	0.487	23%	0.232	S	C	.	.	H	α-helix	trans	-63.8	-38.5	-179.3	-61.4	-11.1	0	0	0	111.1	F323 S325 A326 L330 D331 Y332	F323-D328 HydrophobicContact CD1-CB 3.92Å; F323-D328 HydrophobicContact CE1-CB 4.4Å; S325-D328 WeakPolarHBondContact CB-OD2 3.48Å; S325-D328 PolarHBondContact O-N 2.83Å; S325-D328 PolarHBondContact OG-N 3.49Å; A326-D328 PolarHBondContact O-N 2.95Å; D328-L330 VanDerWaalsContact C-N 3.34Å; D328-L330 PolarHBondContact O-N 3.31Å; D328-D331 PolarHBondContact O-N 2.95Å; D328-Y332 VanDerWaalsContact O-CB 3.23Å; D328-Y332 WeakPolarHBondContact O-CB 3.31Å; D328-Y332 PolarHBondContact O-N 3.31Å
329	S	96.3	Very high	92.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.1	-35.7	176.6	80.5	0	0	0	0	112.7	C314 S325 A326 Q327 F333	C314-S329 WeakPolarHBondContact CB-OG 3.32Å; C314-S329 PolarHBondContact SG-O 2.96Å; S325-S329 PolarHBondContact O-N 3.44Å; S325-S329 VanDerWaalsContact O-N 3.13Å; A326-S329 PolarHBondContact O-N 3.43Å; A326-S329 PolarHBondContact O-OG 3.33Å; Q327-S329 VanDerWaalsContact C-N 3.29Å; Q327-S329 PolarHBondContact O-N 2.87Å; S329-F333 WeakPolarHBondContact O-CB 3.25Å; S329-F333 PolarHBondContact O-N 3.38Å
330	L	95	Very high	91	Very high	10 Å²	10	53.8 Å²	53.8	5%	0.052	26%	0.263	C	S	.	.	H	α-helix	trans	-70.2	-44	178.1	-72.4	164.3	0	0	0	110.9	C314 A326 Q327 D328 F333 G334 V349 V358	C314-L330 HydrophobicContact CB-CD2 4.28Å; A326-L330 WeakPolarHBondContact O-CD1 3.36Å; A326-L330 WeakPolarHBondContact O-CG 3.2Å; A326-L330 PolarHBondContact O-N 3.12Å; Q327-L330 WeakPolarHBondContact O-CB 3.26Å; Q327-L330 PolarHBondContact O-N 3.49Å; Q327-L330 VanDerWaalsContact O-N 3.11Å; D328-L330 VanDerWaalsContact C-N 3.34Å; D328-L330 PolarHBondContact O-N 3.31Å; L330-F333 PolarHBondContact O-N 3.19Å; L330-G334 PolarHBondContact O-N 3.17Å; L330-V349 HydrophobicContact CD2-CB 3.82Å; L330-V349 HydrophobicContact CD2-CG1 4.27Å; L330-V349 HydrophobicContact CD2-CG2 3.37Å; L330-V358 HydrophobicContact CD2-CG2 4.13Å
331	D	92.3	Very high	89.4	Confident	73 Å²	73	56.7 Å²	56.7	39%	0.39	28%	0.283	S	S	.	.	H	α-helix	trans	-63.9	-49.9	176.9	-70.5	-28.1	0	0	0	110.2	Q327 D328 F333 G334 E335	Q327-D331 VanDerWaalsContact NE2-CG 3.25Å; Q327-D331 PolarHBondContact NE2-OD1 3.36Å; Q327-D331 VanDerWaalsContact NE2-OD1 3.09Å; Q327-D331 PolarHBondContact NE2-OD2 2.84Å; Q327-D331 PolarHBondContact O-N 3.12Å; D328-D331 PolarHBondContact O-N 2.95Å; D331-F333 PolarHBondContact O-N 3.48Å; D331-G334 CarbonylContact O-C 3.48Å; D331-G334 WeakPolarHBondContact O-CA 3.45Å; D331-G334 PolarHBondContact O-N 2.92Å; D331-E335 WeakPolarHBondContact O-CG 3.39Å; D331-E335 PolarHBondContact O-N 3.2Å
332	Y	92.4	Very high	87.6	Confident	39 Å²	39	59.1 Å²	59.1	15%	0.153	28%	0.284	C	S	.	.	H	α-helix	trans	-53.5	-49.1	174.8	175.4	-98.4	0	0	0	112.4	V206 T207 L317 F323 D328 G334 E335 R336	V206-Y332 HydrophobicContact CG1-CD1 4.26Å; V206-Y332 HydrophobicContact CG1-CE1 3.69Å; V206-Y332 PolarHBondContact O-OH 2.99Å; T207-Y332 HydrophobicContact CG2-CE1 4.4Å; L317-Y332 HydrophobicContact CD1-CD1 3.94Å; L317-Y332 HydrophobicContact CD1-CE1 4.2Å; F323-Y332 HydrophobicContact CE1-CD2 4.41Å; F323-Y332 HydrophobicContact CE1-CG 4.07Å; F323-Y332 AromaticContact CE2-CD1 3.89Å; F323-Y332 HydrophobicContact CE2-CD1 3.89Å; F323-Y332 HydrophobicContact CE2-CE1 4.18Å; F323-Y332 HydrophobicContact CE2-CG 4.07Å; F323-Y332 AromaticContact CZ-CD1 3.67Å; F323-Y332 HydrophobicContact CZ-CD1 3.67Å; F323-Y332 AromaticContact CZ-CD2 3.65Å; F323-Y332 HydrophobicContact CZ-CD2 3.65Å; F323-Y332 HydrophobicContact CZ-CE1 4.2Å; F323-Y332 HydrophobicContact CZ-CE2 4.15Å; F323-Y332 AromaticContact CZ-CG 3.36Å; F323-Y332 HydrophobicContact CZ-CG 3.36Å; D328-Y332 VanDerWaalsContact O-CB 3.23Å; D328-Y332 WeakPolarHBondContact O-CB 3.31Å; D328-Y332 PolarHBondContact O-N 3.31Å; Y332-G334 VanDerWaalsContact C-N 3.32Å; Y332-G334 PolarHBondContact O-N 3.3Å; Y332-E335 PolarHBondContact O-N 2.83Å; Y332-R336 HydrophobicContact CD1-CG 4.28Å; Y332-R336 HydrophobicContact CD2-CG 4.36Å; Y332-R336 HydrophobicContact CE1-CG 3.89Å; Y332-R336 HydrophobicContact CE2-CG 4.01Å; Y332-R336 VanDerWaalsContact CE2-CZ 3.46Å; Y332-R336 VanDerWaalsContact CZ-CZ 3.45Å; Y332-R336 WeakPolarHBondContact O-CG 3.32Å; Y332-R336 PolarHBondContact O-N 2.77Å; Y332-R336 PolarHBondContact OH-NH1 3.35Å; Y332-R336 PolarHBondContact OH-NH2 3.08Å; Y332-R336 VanDerWaalsContact OH-NH2 3.13Å
333	F	93.4	Very high	86.2	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.3	-44.2	177.1	174.8	-101.2	0	0	0	111.6	V206 A212 G310 V313 C314 S329 L330 D331 E335 R336 R337 V349	V206-F333 HydrophobicContact CG1-CD2 4.29Å; V206-F333 HydrophobicContact CG2-CD2 3.92Å; V206-F333 HydrophobicContact CG2-CE2 3.93Å; A212-F333 HydrophobicContact CB-CE2 3.86Å; A212-F333 HydrophobicContact CB-CZ 4.44Å; G310-F333 VanDerWaalsContact CA-CZ 3.43Å; V313-F333 HydrophobicContact CB-CD2 4.13Å; V313-F333 HydrophobicContact CB-CE2 4.22Å; V313-F333 HydrophobicContact CG1-CD2 3.7Å; V313-F333 HydrophobicContact CG1-CE2 4.17Å; V313-F333 HydrophobicContact CG2-CE2 4.21Å; C314-F333 VanDerWaalsContact SG-CB 3.55Å; S329-F333 WeakPolarHBondContact O-CB 3.25Å; S329-F333 PolarHBondContact O-N 3.38Å; L330-F333 PolarHBondContact O-N 3.19Å; D331-F333 PolarHBondContact O-N 3.48Å; F333-E335 VanDerWaalsContact C-N 3.33Å; F333-E335 PolarHBondContact O-N 3.45Å; F333-R336 PolarHBondContact O-N 3.48Å; F333-R337 HydrophobicContact CE1-CB 4.32Å; F333-R337 HydrophobicContact CE1-CG 4.45Å; F333-R337 HydrophobicContact CE2-CB 4.44Å; F333-R337 HydrophobicContact CZ-CB 4.18Å; F333-R337 HydrophobicContact CZ-CG 4.1Å; F333-R337 WeakPolarHBondContact O-CB 3.33Å; F333-R337 PolarHBondContact O-N 2.95Å; F333-V349 HydrophobicContact CD1-CG2 4.49Å
334	G	89.7	Confident	84.7	Confident	1 Å²	1	61 Å²	61	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-56.8	-44.8	175.9	0	0	0	0	0	112.5	L330 D331 Y332 T338	L330-G334 PolarHBondContact O-N 3.17Å; D331-G334 CarbonylContact O-C 3.48Å; D331-G334 WeakPolarHBondContact O-CA 3.45Å; D331-G334 PolarHBondContact O-N 2.92Å; Y332-G334 VanDerWaalsContact C-N 3.32Å; Y332-G334 PolarHBondContact O-N 3.3Å; G334-T338 WeakPolarHBondContact O-CB 3.46Å; G334-T338 PolarHBondContact O-N 3.35Å; G334-T338 PolarHBondContact O-OG1 2.88Å
335	E	87.8	Confident	83.5	Confident	106 Å²	106	57.6 Å²	57.6	50%	0.495	30%	0.295	S	S	.	.	H	α-helix	trans	-67.4	-42.5	177.7	-64.4	-155.6	133.3	0	0	113.1	D331 Y332 F333 T338 K340	D331-E335 WeakPolarHBondContact O-CG 3.39Å; D331-E335 PolarHBondContact O-N 3.2Å; Y332-E335 PolarHBondContact O-N 2.83Å; F333-E335 VanDerWaalsContact C-N 3.33Å; F333-E335 PolarHBondContact O-N 3.45Å; E335-T338 VanDerWaalsContact O-O 3.09Å; E335-K340 IonicContact OE1-NZ 3.79Å; E335-K340 PolarHBondContact OE1-NZ 3.12Å
336	R	87.8	Confident	82.6	Confident	67 Å²	67	61.6 Å²	61.6	25%	0.253	31%	0.309	S	S	.	.	H	α-helix	trans	-66.4	-40.3	177.4	-67.3	-52.7	-177.8	92.9	-4.7	112.1	R192 V206 Y332 F333	R192-R336 PolarHBondContact NE-O 3.15Å; R192-R336 VanDerWaalsContact NE-O 3.17Å; V206-R336 PolarHBondContact O-NH1 3.26Å; Y332-R336 HydrophobicContact CD1-CG 4.28Å; Y332-R336 HydrophobicContact CD2-CG 4.36Å; Y332-R336 HydrophobicContact CE1-CG 3.89Å; Y332-R336 HydrophobicContact CE2-CG 4.01Å; Y332-R336 VanDerWaalsContact CE2-CZ 3.46Å; Y332-R336 VanDerWaalsContact CZ-CZ 3.45Å; Y332-R336 WeakPolarHBondContact O-CG 3.32Å; Y332-R336 PolarHBondContact O-N 2.77Å; Y332-R336 PolarHBondContact OH-NH1 3.35Å; Y332-R336 PolarHBondContact OH-NH2 3.08Å; Y332-R336 VanDerWaalsContact OH-NH2 3.13Å; F333-R336 PolarHBondContact O-N 3.48Å
337	R	88	Confident	81.6	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-77.5	-25.8	-177.1	-164.4	61.1	178.8	119.2	-0	113.3	K191 R192 D202 T204 G305 F333 Q347	K191-R337 CarbonylContact C-O 3.6Å; K191-R337 WeakPolarHBondContact CA-O 3.09Å; R192-R337 PolarHBondContact N-O 2.86Å; R192-R337 PolarHBondContact O-NH1 3.25Å; D202-R337 IonicContact OD1-CZ 2.82Å; D202-R337 VanDerWaalsContact OD1-CZ 3.27Å; D202-R337 IonicContact OD1-NH1 2.59Å; D202-R337 PolarHBondContact OD1-NH1 3.22Å; D202-R337 IonicContact OD1-NH2 3.32Å; D202-R337 PolarHBondContact OD1-NH2 3.48Å; D202-R337 IonicContact OD2-NH2 3.99Å; T204-R337 PolarHBondContact OG1-NH1 2.93Å; G305-R337 PolarHBondContact O-NE 3.5Å; G305-R337 PolarHBondContact O-NH2 3.19Å; F333-R337 HydrophobicContact CE1-CB 4.32Å; F333-R337 HydrophobicContact CE1-CG 4.45Å; F333-R337 HydrophobicContact CE2-CB 4.44Å; F333-R337 HydrophobicContact CZ-CB 4.18Å; F333-R337 HydrophobicContact CZ-CG 4.1Å; F333-R337 WeakPolarHBondContact O-CB 3.33Å; F333-R337 PolarHBondContact O-N 2.95Å; R337-Q347 HydrophobicContact CG-CB 4.4Å
338	T	82.9	Confident	81	Confident	7 Å²	7	56.5 Å²	56.5	4%	0.043	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-95.1	124.3	-177.5	-51.1	0	0	0	0	111.4	N190 G334 E335 K340 K345 Q347	N190-T338 WeakPolarHBondContact ND2-CG2 3.35Å; G334-T338 WeakPolarHBondContact O-CB 3.46Å; G334-T338 PolarHBondContact O-N 3.35Å; G334-T338 PolarHBondContact O-OG1 2.88Å; E335-T338 VanDerWaalsContact O-O 3.09Å; T338-K340 HydrophobicContact CG2-CG 4.31Å; T338-K340 PolarHBondContact O-N 3.03Å; T338-K345 VanDerWaalsContact CG2-O 3.31Å; T338-K345 WeakPolarHBondContact CG2-O 3.36Å; T338-Q347 HydrophobicContact CG2-CB 4.46Å; T338-Q347 HydrophobicContact CG2-CG 4.15Å; T338-Q347 WeakPolarHBondContact OG1-CB 3.44Å; T338-Q347 PolarHBondContact OG1-N 3.22Å
339	D	77.4	Confident	80.7	Confident	14 Å²	14	52.8 Å²	52.8	8%	0.075	26%	0.264	C	S	.	.			trans	-86.9	92.7	165.3	-169.5	-8.6	0	0	0	109.9	K31 N190 S341 R342	K31-D339 WeakPolarHBondContact CE-OD2 3.37Å; K31-D339 IonicContact NZ-OD1 3.85Å; K31-D339 PolarHBondContact NZ-OD1 2.88Å; K31-D339 IonicContact NZ-OD2 3.35Å; K31-D339 PolarHBondContact NZ-OD2 2.64Å; N190-D339 WeakPolarHBondContact O-CB 3.43Å; N190-D339 PolarHBondContact O-N 3.05Å; D339-S341 VanDerWaalsContact CG-OG 3.28Å; D339-S341 PolarHBondContact O-N 3.47Å; D339-S341 VanDerWaalsContact O-N 3.15Å; D339-S341 WeakPolarHBondContact OD1-CB 3.41Å; D339-S341 PolarHBondContact OD1-N 2.94Å; D339-S341 VanDerWaalsContact OD1-N 3.14Å; D339-S341 PolarHBondContact OD1-OG 2.97Å; D339-S341 PolarHBondContact OD2-OG 2.82Å; D339-R342 HydrophobicContact CB-CG 4.42Å; D339-R342 PolarHBondContact O-N 3.14Å; D339-R342 VanDerWaalsContact O-N 3.09Å
340	K	71.3	Confident	80.1	Confident	134 Å²	134	55.2 Å²	55.2	58%	0.583	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.3	179.3	-65.1	-178.6	-174.6	171.6	0	112.5	E335 T338 R342	E335-K340 IonicContact OE1-NZ 3.79Å; E335-K340 PolarHBondContact OE1-NZ 3.12Å; T338-K340 HydrophobicContact CG2-CG 4.31Å; T338-K340 PolarHBondContact O-N 3.03Å; K340-R342 PolarHBondContact O-N 3.22Å
341	S	62.8	Low	80.2	Confident	95 Å²	95	54.9 Å²	54.9	66%	0.664	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-21	175.4	74.6	0	0	0	0	113.5	D339	D339-S341 VanDerWaalsContact CG-OG 3.28Å; D339-S341 PolarHBondContact O-N 3.47Å; D339-S341 VanDerWaalsContact O-N 3.15Å; D339-S341 WeakPolarHBondContact OD1-CB 3.41Å; D339-S341 PolarHBondContact OD1-N 2.94Å; D339-S341 VanDerWaalsContact OD1-N 3.14Å; D339-S341 PolarHBondContact OD1-OG 2.97Å; D339-S341 PolarHBondContact OD2-OG 2.82Å
342	R	59.4	Low	80.4	Confident	161 Å²	161	52.2 Å²	52.2	61%	0.608	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-30.1	-176.2	-62.2	-176.3	69.5	87.1	6.6	113.2	N190 D339 K340	N190-R342 HydrophobicContact CB-CB 3.85Å; D339-R342 HydrophobicContact CB-CG 4.42Å; D339-R342 PolarHBondContact O-N 3.14Å; D339-R342 VanDerWaalsContact O-N 3.09Å; K340-R342 PolarHBondContact O-N 3.22Å
343	S	64.3	Low	80.7	Confident	50 Å²	50	50.4 Å²	50.4	35%	0.35	25%	0.254	S	S	.	.			trans	-170.3	153.7	177.7	176.1	0	0	0	0	110.2	N190 K345	N190-S343 PolarHBondContact ND2-O 2.68Å; S343-K345 PolarHBondContact O-N 3.21Å; S343-K345 WeakPolarHBondContact OG-CB 3.33Å; S343-K345 PolarHBondContact OG-N 3.34Å; S343-K345 VanDerWaalsContact OG-N 3.12Å
344	S	64.3	Low	80.9	Confident	122 Å²	122	50.4 Å²	50.4	85%	0.853	25%	0.254	S	S	*	.	S	Bend	trans	-77.6	-3	170.3	55.7	0	0	0	0	114	F346	S344-F346 PolarHBondContact O-N 3.37Å
345	K	67.9	Low	81.3	Confident	99 Å²	99	52.2 Å²	52.2	43%	0.43	27%	0.266	S	S	.	.			trans	-64	121.2	179.9	-175.4	179.3	-178.7	-177	0	110.8	E189 N190 T338 S343	E189-K345 IonicContact OE1-NZ 3.35Å; E189-K345 PolarHBondContact OE1-NZ 2.97Å; E189-K345 WeakPolarHBondContact OE2-CE 3.48Å; E189-K345 IonicContact OE2-NZ 3.35Å; E189-K345 PolarHBondContact OE2-NZ 2.97Å; N190-K345 PolarHBondContact ND2-O 3.43Å; T338-K345 VanDerWaalsContact CG2-O 3.31Å; T338-K345 WeakPolarHBondContact CG2-O 3.36Å; S343-K345 PolarHBondContact O-N 3.21Å; S343-K345 WeakPolarHBondContact OG-CB 3.33Å; S343-K345 PolarHBondContact OG-N 3.34Å; S343-K345 VanDerWaalsContact OG-N 3.12Å
346	F	75.9	Confident	81.8	Confident	115 Å²	115	48.6 Å²	48.6	50%	0.504	25%	0.248	S	C	.	.			trans	-66.4	134.9	177.1	-174	-107.6	0	0	0	112.1	S344 G348	S344-F346 PolarHBondContact O-N 3.37Å; F346-G348 VanDerWaalsContact CE1-CA 3.45Å
347	Q	76.1	Confident	82.4	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.009	24%	0.236	C	C	.	.			trans	-119.6	14.4	-177	-61	-70.5	-28.5	0	0	113.7	E189 N190 K191 K306 R337 T338	E189-Q347 PolarHBondContact OE2-NE2 3.1Å; N190-Q347 WeakPolarHBondContact OD1-CG 3.47Å; N190-Q347 PolarHBondContact OD1-NE2 3.15Å; K191-Q347 HydrophobicContact CG-CB 3.98Å; K191-Q347 HydrophobicContact CG-CG 3.87Å; K191-Q347 VanDerWaalsContact CG-OE1 3.26Å; K306-Q347 VanDerWaalsContact CD-OE1 3.3Å; R337-Q347 HydrophobicContact CG-CB 4.4Å; T338-Q347 HydrophobicContact CG2-CB 4.46Å; T338-Q347 HydrophobicContact CG2-CG 4.15Å; T338-Q347 WeakPolarHBondContact OG1-CB 3.44Å; T338-Q347 PolarHBondContact OG1-N 3.22Å
348	G	82.7	Confident	82.9	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-79.8	-145	178.8	0	0	0	0	0	114.1	F346	F346-G348 VanDerWaalsContact CE1-CA 3.45Å
349	V	86.1	Confident	83.6	Confident	13 Å²	13	46 Å²	46	8%	0.079	24%	0.244	C	C	.	.			trans	-64.1	137.5	175.2	173.6	0	0	0	0	110.2	L330 F333 Q354	L330-V349 HydrophobicContact CD2-CB 3.82Å; L330-V349 HydrophobicContact CD2-CG1 4.27Å; L330-V349 HydrophobicContact CD2-CG2 3.37Å; F333-V349 HydrophobicContact CD1-CG2 4.49Å; V349-Q354 HydrophobicContact CG1-CB 3.33Å; V349-Q354 HydrophobicContact CG1-CG 4.38Å
350	E	85.3	Confident	84.6	Confident	52 Å²	52	46.3 Å²	46.3	24%	0.243	24%	0.244	C	C	.	.			trans	-99	-22.9	-163.1	-73.5	-171.3	148.7	0	0	114.6	H271 K306 H490	H271-E350 IonicContact CD2-OE2 2.77Å; H271-E350 IonicContact NE2-OE2 3.79Å; K306-E350 HydrophobicContact CB-CG 4.13Å; K306-E350 VanDerWaalsContact CD-OE1 3.24Å; K306-E350 WeakPolarHBondContact CD-OE1 3.44Å; E350-H490 PolarHBondContact O-NE2 3Å
351	T	95.6	Very high	85.9	Confident	2 Å²	2	40 Å²	40	1%	0.012	22%	0.216	C	C	.	.			trans	-131.2	140.3	-173.3	63.2	0	0	0	0	110.8	H271 S353 Q354 S355 Y460 D487	H271-T351 HydrophobicContact CB-CG2 4.24Å; T351-S353 PolarHBondContact O-N 2.96Å; T351-Q354 WeakPolarHBondContact O-CB 3.21Å; T351-Q354 PolarHBondContact O-N 3.33Å; T351-Q354 WeakPolarHBondContact OG1-CB 3.49Å; T351-Q354 WeakPolarHBondContact OG1-CG 3.23Å; T351-Q354 PolarHBondContact OG1-N 3.05Å; T351-Q354 PolarHBondContact OG1-OE1 2.99Å; T351-S355 PolarHBondContact O-N 2.93Å; T351-Y460 HydrophobicContact CG2-CD2 3.86Å; T351-Y460 HydrophobicContact CG2-CE2 3.89Å; T351-D487 WeakPolarHBondContact CB-OD1 3.29Å
352	P	97.6	Very high	87.6	Confident	18 Å²	18	38 Å²	38	12%	0.117	20%	0.197	C	C	.	.	H	α-helix	trans	-55	-35.2	174.7	-28.1	34	0	0	0	114.4	Q354 S355 R356 E484 E485 D487 H490	P352-Q354 VanDerWaalsContact C-N 3.3Å; P352-Q354 PolarHBondContact O-N 3.02Å; P352-S355 PolarHBondContact O-N 3.3Å; P352-R356 WeakPolarHBondContact O-CB 3.42Å; P352-R356 PolarHBondContact O-N 3.39Å; P352-E484 WeakPolarHBondContact CB-O 3.24Å; P352-E484 WeakPolarHBondContact CG-O 3.27Å; P352-E485 WeakPolarHBondContact CB-O 3.39Å; P352-D487 WeakPolarHBondContact CD-OD1 3.36Å; P352-H490 VanDerWaalsContact CD-CE1 3.45Å; P352-H490 WeakPolarHBondContact CD-CE1 3.46Å; P352-H490 WeakPolarHBondContact CD-ND1 3.19Å; P352-H490 HydrophobicContact CG-CB 3.62Å
353	S	98.6	Very high	89.5	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.6	-39.5	173.9	-69	0	0	0	0	113	V273 T351 R356 Y357 W468 D487	V273-S353 VanDerWaalsContact CG1-C 3.48Å; V273-S353 WeakPolarHBondContact CG1-O 3.16Å; T351-S353 PolarHBondContact O-N 2.96Å; S353-R356 PolarHBondContact O-N 3.39Å; S353-R356 PolarHBondContact OG-NH1 3.19Å; S353-Y357 VanDerWaalsContact O-CD2 3.24Å; S353-Y357 WeakPolarHBondContact O-CD2 3.38Å; S353-Y357 PolarHBondContact O-N 2.93Å; S353-W468 PolarHBondContact OG-N 3.31Å; S353-D487 WeakPolarHBondContact CB-OD2 3.43Å; S353-D487 PolarHBondContact N-OD1 2.99Å; S353-D487 VanDerWaalsContact OG-CG 3.25Å; S353-D487 PolarHBondContact OG-OD1 3.31Å; S353-D487 PolarHBondContact OG-OD2 2.88Å
354	Q	98.4	Very high	91.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63	-44.5	174.4	-76.8	163.9	-3	0	0	111.7	N272 V273 T311 V349 T351 P352 Y357 V358	N272-Q354 PolarHBondContact O-NE2 3.47Å; N272-Q354 VanDerWaalsContact O-NE2 3.1Å; V273-Q354 HydrophobicContact CG1-CG 4.08Å; T311-Q354 WeakPolarHBondContact OG1-CB 3.32Å; T311-Q354 WeakPolarHBondContact OG1-CG 3.27Å; V349-Q354 HydrophobicContact CG1-CB 3.33Å; V349-Q354 HydrophobicContact CG1-CG 4.38Å; T351-Q354 WeakPolarHBondContact O-CB 3.21Å; T351-Q354 PolarHBondContact O-N 3.33Å; T351-Q354 WeakPolarHBondContact OG1-CB 3.49Å; T351-Q354 WeakPolarHBondContact OG1-CG 3.23Å; T351-Q354 PolarHBondContact OG1-N 3.05Å; T351-Q354 PolarHBondContact OG1-OE1 2.99Å; P352-Q354 VanDerWaalsContact C-N 3.3Å; P352-Q354 PolarHBondContact O-N 3.02Å; Q354-Y357 PolarHBondContact O-N 3.13Å; Q354-V358 PolarHBondContact O-N 3.34Å
355	S	97.9	Very high	92.7	Very high	39 Å²	39	25.9 Å²	25.9	27%	0.273	13%	0.129	S	C	.	.	H	α-helix	trans	-63.2	-43.3	176.3	-57.7	0	0	0	0	111.7	T351 P352 Y357 V358 G359	T351-S355 PolarHBondContact O-N 2.93Å; P352-S355 PolarHBondContact O-N 3.3Å; S355-Y357 VanDerWaalsContact C-N 3.29Å; S355-Y357 PolarHBondContact O-N 2.97Å; S355-V358 WeakPolarHBondContact O-CB 3.28Å; S355-V358 PolarHBondContact O-N 2.87Å; S355-V358 VanDerWaalsContact O-N 3.12Å; S355-G359 PolarHBondContact O-N 2.83Å; S355-G359 VanDerWaalsContact O-N 3.07Å
356	R	98.6	Very high	94	Very high	31 Å²	31	25.3 Å²	25.3	12%	0.117	13%	0.134	C	C	.	.	H	α-helix	trans	-56.2	-42	175.7	-175.6	-177.2	-59.8	108.6	14.3	112	P352 S353 G359 Y360 W468 E485	P352-R356 WeakPolarHBondContact O-CB 3.42Å; P352-R356 PolarHBondContact O-N 3.39Å; S353-R356 PolarHBondContact O-N 3.39Å; S353-R356 PolarHBondContact OG-NH1 3.19Å; R356-G359 CarbonylContact O-C 3.55Å; R356-G359 WeakPolarHBondContact O-CA 3.49Å; R356-G359 PolarHBondContact O-N 3.08Å; R356-G359 VanDerWaalsContact O-N 3.16Å; R356-Y360 WeakPolarHBondContact CD-OH 3.43Å; R356-Y360 HydrophobicContact CG-CD2 4.44Å; R356-Y360 HydrophobicContact CG-CE1 4.01Å; R356-Y360 HydrophobicContact CG-CE2 3.93Å; R356-Y360 PolarHBondContact O-N 2.85Å; R356-W468 PolarHBondContact NH1-O 3.48Å; R356-E485 PolarHBondContact NH2-O 3.37Å
357	Y	98.8	Very high	95.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-70.5	-29.6	179.5	-87.3	-122.6	0	0	0	112.8	V273 P274 L276 M279 S353 Q354 S355 Y360 Y361 D445 W468 F469	V273-Y357 HydrophobicContact CB-CD1 3.8Å; V273-Y357 HydrophobicContact CB-CD2 4.16Å; V273-Y357 HydrophobicContact CB-CE1 3.99Å; V273-Y357 HydrophobicContact CB-CE2 4.35Å; V273-Y357 HydrophobicContact CB-CG 3.89Å; V273-Y357 HydrophobicContact CG1-CD1 4.45Å; V273-Y357 HydrophobicContact CG1-CD2 3.97Å; V273-Y357 HydrophobicContact CG1-CE2 4.35Å; V273-Y357 HydrophobicContact CG1-CG 4.02Å; V273-Y357 HydrophobicContact CG2-CD1 3.88Å; V273-Y357 HydrophobicContact CG2-CD2 4.16Å; V273-Y357 HydrophobicContact CG2-CE1 3.52Å; V273-Y357 HydrophobicContact CG2-CE2 3.84Å; V273-Y357 HydrophobicContact CG2-CG 4.19Å; V273-Y357 VanDerWaalsContact CG2-CZ 3.49Å; P274-Y357 VanDerWaalsContact O-CD1 3.26Å; P274-Y357 WeakPolarHBondContact O-CD1 3.43Å; P274-Y357 WeakPolarHBondContact O-CE1 3.38Å; L276-Y357 HydrophobicContact CD2-CD1 3.78Å; L276-Y357 HydrophobicContact CD2-CE1 4.1Å; L276-Y357 HydrophobicContact CD2-CG 4.49Å; L276-Y357 HydrophobicContact CG-CE1 4.42Å; M279-Y357 WeakPolarHBondContact CE-O 3.43Å; M279-Y357 HydrophobicContact SD-CD1 4.22Å; S353-Y357 VanDerWaalsContact O-CD2 3.24Å; S353-Y357 WeakPolarHBondContact O-CD2 3.38Å; S353-Y357 PolarHBondContact O-N 2.93Å; Q354-Y357 PolarHBondContact O-N 3.13Å; S355-Y357 VanDerWaalsContact C-N 3.29Å; S355-Y357 PolarHBondContact O-N 2.97Å; Y357-Y360 AromaticContact CD2-CD2 3.93Å; Y357-Y360 HydrophobicContact CD2-CD2 3.93Å; Y357-Y360 HydrophobicContact CD2-CE2 4.09Å; Y357-Y360 HydrophobicContact CE2-CD2 4.13Å; Y357-Y360 AromaticContact CE2-CE2 3.95Å; Y357-Y360 HydrophobicContact CE2-CE2 3.95Å; Y357-Y360 HydrophobicContact CG-CD2 4.23Å; Y357-Y360 PolarHBondContact O-N 3.05Å; Y357-Y361 PolarHBondContact O-N 3.14Å; Y357-D445 WeakPolarHBondContact CE1-OD1 3.31Å; Y357-D445 WeakPolarHBondContact OH-CB 3.45Å; Y357-D445 PolarHBondContact OH-OD1 3.23Å; Y357-W468 HydrophobicContact CE2-CB 3.75Å; Y357-F469 PolarHBondContact OH-O 3.39Å
358	V	98.7	Very high	96.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.8	-42.6	167.9	-176.9	0	0	0	0	110.3	T311 C314 I318 A326 L330 Q354 S355 Y361 E362	T311-V358 HydrophobicContact CG2-CG2 4Å; C314-V358 HydrophobicContact CB-CG1 3.89Å; C314-V358 HydrophobicContact CB-CG2 4.13Å; I318-V358 HydrophobicContact CG1-CG1 4.4Å; A326-V358 HydrophobicContact CB-CB 4.36Å; A326-V358 HydrophobicContact CB-CG1 3.76Å; L330-V358 HydrophobicContact CD2-CG2 4.13Å; Q354-V358 PolarHBondContact O-N 3.34Å; S355-V358 WeakPolarHBondContact O-CB 3.28Å; S355-V358 PolarHBondContact O-N 2.87Å; S355-V358 VanDerWaalsContact O-N 3.12Å; V358-Y361 WeakPolarHBondContact O-CB 3.39Å; V358-Y361 PolarHBondContact O-N 3.4Å; V358-Y361 VanDerWaalsContact O-N 3.13Å; V358-E362 PolarHBondContact O-N 3.34Å
359	G	98.5	Very high	96.7	Very high	20 Å²	20	37.4 Å²	37.4	21%	0.206	19%	0.19	C	C	.	.	H	α-helix	trans	-62.4	-39.4	173.5	0	0	0	0	0	113.5	S355 R356 Y361 E362 I363	S355-G359 PolarHBondContact O-N 2.83Å; S355-G359 VanDerWaalsContact O-N 3.07Å; R356-G359 CarbonylContact O-C 3.55Å; R356-G359 WeakPolarHBondContact O-CA 3.49Å; R356-G359 PolarHBondContact O-N 3.08Å; R356-G359 VanDerWaalsContact O-N 3.16Å; G359-Y361 VanDerWaalsContact C-N 3.29Å; G359-Y361 PolarHBondContact O-N 2.83Å; G359-E362 WeakPolarHBondContact O-CB 3.48Å; G359-E362 PolarHBondContact O-N 3.48Å; G359-I363 WeakPolarHBondContact O-CG1 3.41Å; G359-I363 PolarHBondContact O-N 3.07Å; G359-I363 VanDerWaalsContact O-N 3.14Å
360	Y	98.7	Very high	97.2	Very high	20 Å²	20	40.5 Å²	40.5	8%	0.078	20%	0.2	C	C	.	.	H	α-helix	trans	-60.6	-40.7	171.3	-69	-20.4	0	0	0	111.7	L276 R356 Y357 I363 M364 N470 F473	L276-Y360 HydrophobicContact CD2-CD2 4.3Å; R356-Y360 WeakPolarHBondContact CD-OH 3.43Å; R356-Y360 HydrophobicContact CG-CD2 4.44Å; R356-Y360 HydrophobicContact CG-CE1 4.01Å; R356-Y360 HydrophobicContact CG-CE2 3.93Å; R356-Y360 PolarHBondContact O-N 2.85Å; Y357-Y360 AromaticContact CD2-CD2 3.93Å; Y357-Y360 HydrophobicContact CD2-CD2 3.93Å; Y357-Y360 HydrophobicContact CD2-CE2 4.09Å; Y357-Y360 HydrophobicContact CE2-CD2 4.13Å; Y357-Y360 AromaticContact CE2-CE2 3.95Å; Y357-Y360 HydrophobicContact CE2-CE2 3.95Å; Y357-Y360 HydrophobicContact CG-CD2 4.23Å; Y357-Y360 PolarHBondContact O-N 3.05Å; Y360-I363 PolarHBondContact O-N 3.04Å; Y360-M364 WeakPolarHBondContact O-CG 3.29Å; Y360-M364 PolarHBondContact O-N 3.04Å; Y360-N470 HydrophobicContact CD2-CB 4.16Å; Y360-N470 HydrophobicContact CE2-CB 3.78Å; Y360-N470 PolarHBondContact OH-N 3Å; Y360-F473 HydrophobicContact CD1-CB 4.05Å; Y360-F473 AromaticContact CD1-CD1 3.5Å; Y360-F473 HydrophobicContact CD1-CD1 3.5Å; Y360-F473 VanDerWaalsContact CD1-CD1 3.5Å; Y360-F473 AromaticContact CD1-CD2 3.79Å; Y360-F473 HydrophobicContact CD1-CD2 3.79Å; Y360-F473 AromaticContact CD1-CE1 3.79Å; Y360-F473 HydrophobicContact CD1-CE1 3.79Å; Y360-F473 HydrophobicContact CD1-CE2 4.07Å; Y360-F473 AromaticContact CD1-CG 3.48Å; Y360-F473 HydrophobicContact CD1-CG 3.48Å; Y360-F473 VanDerWaalsContact CD1-CG 3.48Å; Y360-F473 HydrophobicContact CD1-CZ 4.05Å; Y360-F473 HydrophobicContact CD2-CD2 4.19Å; Y360-F473 HydrophobicContact CD2-CE2 4.29Å; Y360-F473 HydrophobicContact CE1-CB 3.45Å; Y360-F473 VanDerWaalsContact CE1-CB 3.45Å; Y360-F473 AromaticContact CE1-CD1 3.81Å; Y360-F473 HydrophobicContact CE1-CD1 3.81Å; Y360-F473 AromaticContact CE1-CD2 3.9Å; Y360-F473 HydrophobicContact CE1-CD2 3.9Å; Y360-F473 AromaticContact CE1-CG 3.43Å; Y360-F473 HydrophobicContact CE1-CG 3.43Å; Y360-F473 VanDerWaalsContact CE1-CG 3.43Å; Y360-F473 HydrophobicContact CE2-CD2 4.29Å; Y360-F473 HydrophobicContact CG-CD1 4.26Å; Y360-F473 AromaticContact CG-CD2 3.93Å; Y360-F473 HydrophobicContact CG-CD2 3.93Å; Y360-F473 HydrophobicContact CG-CE1 4.2Å; Y360-F473 AromaticContact CG-CE2 3.88Å; Y360-F473 HydrophobicContact CG-CE2 3.88Å; Y360-F473 HydrophobicContact CG-CG 4.11Å; Y360-F473 AromaticContact CG-CZ 3.99Å; Y360-F473 HydrophobicContact CG-CZ 3.99Å
361	Y	98.7	Very high	97.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.6	-41.3	176.6	-167.5	-84.2	0	0	0	112.9	M279 L280 T283 T315 I318 D319 Y357 V358 G359 I363 M364 K365	M279-Y361 HydrophobicContact CB-CD2 3.89Å; M279-Y361 HydrophobicContact CB-CE2 4.23Å; M279-Y361 HydrophobicContact CE-CD2 4.02Å; M279-Y361 HydrophobicContact CE-CG 4.14Å; L280-Y361 HydrophobicContact CD2-CE2 3.88Å; T283-Y361 WeakPolarHBondContact CB-OH 3.31Å; T283-Y361 HydrophobicContact CG2-CE1 4.26Å; T283-Y361 HydrophobicContact CG2-CE2 3.85Å; T283-Y361 VanDerWaalsContact CG2-OH 3.26Å; T283-Y361 WeakPolarHBondContact CG2-OH 3.34Å; T283-Y361 PolarHBondContact OG1-OH 3.45Å; T315-Y361 HydrophobicContact CG2-CD1 3.81Å; T315-Y361 HydrophobicContact CG2-CD2 3.63Å; T315-Y361 HydrophobicContact CG2-CE1 4.03Å; T315-Y361 HydrophobicContact CG2-CE2 3.82Å; T315-Y361 HydrophobicContact CG2-CG 3.64Å; I318-Y361 HydrophobicContact CG2-CD1 4.23Å; D319-Y361 HydrophobicContact CB-CE1 3.79Å; D319-Y361 VanDerWaalsContact CG-OH 3.28Å; D319-Y361 PolarHBondContact OD2-OH 2.81Å; Y357-Y361 PolarHBondContact O-N 3.14Å; V358-Y361 WeakPolarHBondContact O-CB 3.39Å; V358-Y361 PolarHBondContact O-N 3.4Å; V358-Y361 VanDerWaalsContact O-N 3.13Å; G359-Y361 VanDerWaalsContact C-N 3.29Å; G359-Y361 PolarHBondContact O-N 2.83Å; Y361-I363 VanDerWaalsContact C-N 3.26Å; Y361-I363 PolarHBondContact O-N 3.18Å; Y361-M364 HydrophobicContact CD2-CE 3.54Å; Y361-M364 HydrophobicContact CE2-CE 4.25Å; Y361-M364 HydrophobicContact CG-CE 4.18Å; Y361-M364 PolarHBondContact O-N 3.09Å; Y361-M364 VanDerWaalsContact O-N 3.12Å; Y361-K365 HydrophobicContact CE1-CB 4.33Å; Y361-K365 WeakPolarHBondContact O-CB 3.23Å; Y361-K365 PolarHBondContact O-N 3.08Å
362	E	98.4	Very high	97.9	Very high	55 Å²	55	46.4 Å²	46.4	26%	0.257	23%	0.233	S	C	.	.	H	α-helix	trans	-53	-46.6	172.4	-177.2	-168.9	155.9	0	0	111.1	I318 E324 A326 V358 G359 K365 T366	I318-E362 HydrophobicContact CG2-CB 4.23Å; I318-E362 HydrophobicContact CG2-CG 4.5Å; E324-E362 WeakPolarHBondContact O-CG 3.39Å; A326-E362 HydrophobicContact CB-CB 4.33Å; A326-E362 WeakPolarHBondContact CB-OE2 3.34Å; A326-E362 PolarHBondContact N-OE2 2.64Å; V358-E362 PolarHBondContact O-N 3.34Å; G359-E362 WeakPolarHBondContact O-CB 3.48Å; G359-E362 PolarHBondContact O-N 3.48Å; E362-K365 PolarHBondContact O-N 3.47Å; E362-T366 WeakPolarHBondContact O-CB 3.33Å; E362-T366 WeakPolarHBondContact O-CG2 3.33Å; E362-T366 PolarHBondContact O-N 3.22Å; E362-T366 PolarHBondContact O-OG1 3.5Å
363	I	98.2	Very high	97.8	Very high	52 Å²	52	46 Å²	46	27%	0.267	23%	0.23	S	C	.	.	H	α-helix	trans	-65	-43.2	176.2	-63.4	165.9	0	0	0	111.5	G359 Y360 Y361 K365 T366 K367 Y368 F473	G359-I363 WeakPolarHBondContact O-CG1 3.41Å; G359-I363 PolarHBondContact O-N 3.07Å; G359-I363 VanDerWaalsContact O-N 3.14Å; Y360-I363 PolarHBondContact O-N 3.04Å; Y361-I363 VanDerWaalsContact C-N 3.26Å; Y361-I363 PolarHBondContact O-N 3.18Å; I363-K365 VanDerWaalsContact C-N 3.31Å; I363-K365 PolarHBondContact O-N 2.91Å; I363-T366 PolarHBondContact O-N 3.45Å; I363-T366 PolarHBondContact O-OG1 3.19Å; I363-K367 HydrophobicContact CG2-CB 4.3Å; I363-K367 HydrophobicContact CG2-CD 4.05Å; I363-K367 HydrophobicContact CG2-CG 4.26Å; I363-K367 WeakPolarHBondContact O-CB 3.38Å; I363-K367 PolarHBondContact O-N 2.99Å; I363-Y368 HydrophobicContact CG2-CD2 4.08Å; I363-Y368 HydrophobicContact CG2-CE2 3.78Å; I363-F473 HydrophobicContact CB-CE1 3.85Å; I363-F473 HydrophobicContact CD1-CD1 3.96Å; I363-F473 HydrophobicContact CD1-CE1 3.88Å; I363-F473 HydrophobicContact CG1-CE1 4.49Å; I363-F473 HydrophobicContact CG2-CD1 4.48Å; I363-F473 HydrophobicContact CG2-CE1 3.72Å
364	M	98.3	Very high	97.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.4	-42.7	176.8	-71.9	-168	-62.1	0	0	111.9	L276 L280 Y360 Y361 Y368 N369 R370 L372 P373 F473	L276-M364 HydrophobicContact CB-CE 4.06Å; L276-M364 HydrophobicContact CB-SD 4.11Å; L276-M364 HydrophobicContact CD1-CE 4.45Å; L276-M364 HydrophobicContact CD1-SD 4.11Å; L276-M364 HydrophobicContact CD2-CE 3.89Å; L276-M364 HydrophobicContact CG-CE 4.35Å; L280-M364 HydrophobicContact CD1-SD 4.3Å; L280-M364 HydrophobicContact CD2-CE 4.4Å; L280-M364 HydrophobicContact CG-CE 4.34Å; L280-M364 HydrophobicContact CG-SD 4.45Å; Y360-M364 WeakPolarHBondContact O-CG 3.29Å; Y360-M364 PolarHBondContact O-N 3.04Å; Y361-M364 HydrophobicContact CD2-CE 3.54Å; Y361-M364 HydrophobicContact CE2-CE 4.25Å; Y361-M364 HydrophobicContact CG-CE 4.18Å; Y361-M364 PolarHBondContact O-N 3.09Å; Y361-M364 VanDerWaalsContact O-N 3.12Å; M364-Y368 CarbonylContact O-C 3.45Å; M364-Y368 WeakPolarHBondContact O-CA 3.25Å; M364-Y368 WeakPolarHBondContact O-CB 3.21Å; M364-Y368 PolarHBondContact O-N 3.4Å; M364-N369 PolarHBondContact O-N 3Å; M364-N369 VanDerWaalsContact O-N 3.14Å; M364-R370 PolarHBondContact O-N 2.84Å; M364-L372 HydrophobicContact SD-CD2 4.05Å; M364-P373 HydrophobicContact CG-CG 4.18Å; M364-F473 HydrophobicContact CG-CZ 4.14Å
365	K	97.2	Very high	97.4	Very high	26 Å²	26	53.8 Å²	53.8	11%	0.113	28%	0.283	C	S	.	.	H	α-helix	trans	-63.8	-52.8	176.3	-178.6	-163	170.3	-155.1	0	111	I318 D321 Y361 E362 I363 R370	I318-K365 HydrophobicContact CG2-CD 3.82Å; I318-K365 VanDerWaalsContact O-CD 3.29Å; I318-K365 WeakPolarHBondContact O-CD 3.36Å; I318-K365 WeakPolarHBondContact O-CE 3.5Å; I318-K365 PolarHBondContact O-NZ 3.44Å; D321-K365 WeakPolarHBondContact OD1-CE 3.5Å; D321-K365 IonicContact OD1-NZ 2.76Å; D321-K365 PolarHBondContact OD1-NZ 3.13Å; Y361-K365 HydrophobicContact CE1-CB 4.33Å; Y361-K365 WeakPolarHBondContact O-CB 3.23Å; Y361-K365 PolarHBondContact O-N 3.08Å; E362-K365 PolarHBondContact O-N 3.47Å; I363-K365 VanDerWaalsContact C-N 3.31Å; I363-K365 PolarHBondContact O-N 2.91Å; K365-R370 HydrophobicContact CB-CG 4.48Å; K365-R370 HydrophobicContact CG-CG 4.33Å
366	T	96.7	Very high	97.2	Very high	87 Å²	87	55 Å²	55	53%	0.534	28%	0.281	S	S	.	.	H	α-helix	trans	-78.2	-42.1	-169.4	53.8	0	0	0	0	113.7	E362 I363	E362-T366 WeakPolarHBondContact O-CB 3.33Å; E362-T366 WeakPolarHBondContact O-CG2 3.33Å; E362-T366 PolarHBondContact O-N 3.22Å; E362-T366 PolarHBondContact O-OG1 3.5Å; I363-T366 PolarHBondContact O-N 3.45Å; I363-T366 PolarHBondContact O-OG1 3.19Å
367	K	97.5	Very high	97.1	Very high	160 Å²	160	55 Å²	55	70%	0.696	29%	0.285	S	S	*	.	H	α-helix	trans	-100.4	-29.9	-174.6	-58.8	-166.6	-174.6	177.5	0	113.8	I363	I363-K367 HydrophobicContact CG2-CB 4.3Å; I363-K367 HydrophobicContact CG2-CD 4.05Å; I363-K367 HydrophobicContact CG2-CG 4.26Å; I363-K367 WeakPolarHBondContact O-CB 3.38Å; I363-K367 PolarHBondContact O-N 2.99Å
368	Y	97.1	Very high	97.1	Very high	89 Å²	89	55 Å²	55	35%	0.349	29%	0.285	S	S	.	.	H	α-helix	trans	-112.5	11.2	-174.3	-59.6	-80	0	0	0	113.3	I363 M364 R370 N371 P373	I363-Y368 HydrophobicContact CG2-CD2 4.08Å; I363-Y368 HydrophobicContact CG2-CE2 3.78Å; M364-Y368 CarbonylContact O-C 3.45Å; M364-Y368 WeakPolarHBondContact O-CA 3.25Å; M364-Y368 WeakPolarHBondContact O-CB 3.21Å; M364-Y368 PolarHBondContact O-N 3.4Å; Y368-R370 VanDerWaalsContact C-N 3.29Å; Y368-R370 PolarHBondContact O-N 2.83Å; Y368-N371 WeakPolarHBondContact CB-O 3.5Å; Y368-N371 VanDerWaalsContact O-CB 3.3Å; Y368-N371 WeakPolarHBondContact O-CB 3.43Å; Y368-N371 PolarHBondContact O-N 2.59Å; Y368-N371 PolarHBondContact O-ND2 3.43Å; Y368-P373 HydrophobicContact CD1-CB 4.22Å; Y368-P373 HydrophobicContact CD2-CB 4.14Å; Y368-P373 HydrophobicContact CD2-CG 3.84Å; Y368-P373 HydrophobicContact CE1-CB 3.89Å; Y368-P373 HydrophobicContact CE2-CB 3.79Å; Y368-P373 HydrophobicContact CE2-CG 3.77Å; Y368-P373 HydrophobicContact CG-CB 4.33Å; Y368-P373 HydrophobicContact CG-CG 4.29Å
369	N	96.8	Very high	97	Very high	122 Å²	122	59 Å²	59	65%	0.652	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	48.3	178.4	-169.7	37.1	0	0	0	112.8	M364 N371	M364-N369 PolarHBondContact O-N 3Å; M364-N369 VanDerWaalsContact O-N 3.14Å; N369-N371 VanDerWaalsContact C-N 3.28Å; N369-N371 PolarHBondContact O-N 3.26Å; N369-N371 PolarHBondContact O-ND2 2.97Å; N369-N371 VanDerWaalsContact O-ND2 3.07Å
370	R	96.5	Very high	97	Very high	77 Å²	77	58.1 Å²	58.1	29%	0.291	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	33.3	-178.1	-55.9	158.1	169.1	133.5	3.3	113.5	L280 R287 D319 M364 K365 Y368	L280-R370 HydrophobicContact CD2-CB 4.37Å; L280-R370 VanDerWaalsContact CD2-O 3.3Å; L280-R370 WeakPolarHBondContact CD2-O 3.28Å; R287-R370 VanDerWaalsContact NH1-CD 3.32Å; D319-R370 PolarHBondContact O-NH2 3.32Å; D319-R370 IonicContact OD2-NE 2.73Å; D319-R370 PolarHBondContact OD2-NE 2.59Å; D319-R370 VanDerWaalsContact OD2-NE 3.15Å; M364-R370 PolarHBondContact O-N 2.84Å; K365-R370 HydrophobicContact CB-CG 4.48Å; K365-R370 HydrophobicContact CG-CG 4.33Å; Y368-R370 VanDerWaalsContact C-N 3.29Å; Y368-R370 PolarHBondContact O-N 2.83Å
371	N	97.1	Very high	97	Very high	94 Å²	94	61.5 Å²	61.5	50%	0.503	31%	0.306	S	S	.	.	S	Bend	trans	-113.4	161.9	168.8	-60.6	-75.6	0	0	0	110.6	Y368 N369	Y368-N371 WeakPolarHBondContact CB-O 3.5Å; Y368-N371 VanDerWaalsContact O-CB 3.3Å; Y368-N371 WeakPolarHBondContact O-CB 3.43Å; Y368-N371 PolarHBondContact O-N 2.59Å; Y368-N371 PolarHBondContact O-ND2 3.43Å; N369-N371 VanDerWaalsContact C-N 3.28Å; N369-N371 PolarHBondContact O-N 3.26Å; N369-N371 PolarHBondContact O-ND2 2.97Å; N369-N371 VanDerWaalsContact O-ND2 3.07Å
372	L	96.9	Very high	96.9	Very high	84 Å²	84	62.6 Å²	62.6	44%	0.44	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-63.2	139.1	169.8	-66.8	173.4	0	0	0	109.5	L276 L280 M364	L276-L372 HydrophobicContact CB-CD2 3.8Å; L280-L372 HydrophobicContact CD1-CD2 3.76Å; L280-L372 HydrophobicContact CD1-CG 3.81Å; M364-L372 HydrophobicContact SD-CD2 4.05Å
373	P	96.2	Very high	97	Very high	9 Å²	9	60 Å²	60	6%	0.058	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-61.9	162.7	168.4	-17.5	31.2	0	0	0	110.8	M364 Y368 S375 F473	M364-P373 HydrophobicContact CG-CG 4.18Å; Y368-P373 HydrophobicContact CD1-CB 4.22Å; Y368-P373 HydrophobicContact CD2-CB 4.14Å; Y368-P373 HydrophobicContact CD2-CG 3.84Å; Y368-P373 HydrophobicContact CE1-CB 3.89Å; Y368-P373 HydrophobicContact CE2-CB 3.79Å; Y368-P373 HydrophobicContact CE2-CG 3.77Å; Y368-P373 HydrophobicContact CG-CB 4.33Å; Y368-P373 HydrophobicContact CG-CG 4.29Å; P373-S375 PolarHBondContact O-N 2.85Å; P373-F473 HydrophobicContact CG-CE1 4.25Å; P373-F473 HydrophobicContact CG-CE2 3.81Å; P373-F473 HydrophobicContact CG-CZ 3.56Å
374	P	95.1	Very high	97	Very high	94 Å²	94	60.5 Å²	60.5	61%	0.61	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-51.5	132.3	173.2	-26.4	34.7	0	0	0	111.3	S472	P374-S472 WeakPolarHBondContact O-CB 3.48Å; P374-S472 PolarHBondContact O-OG 3.37Å
375	S	92.8	Very high	97	Very high	70 Å²	70	60.5 Å²	60.5	49%	0.49	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-65.7	138.6	178.6	-160.8	0	0	0	0	110.2	P373 E443	P373-S375 PolarHBondContact O-N 2.85Å; S375-E443 WeakPolarHBondContact CB-OE1 3.43Å; S375-E443 WeakPolarHBondContact OG-CG 3.42Å; S375-E443 PolarHBondContact OG-OE1 2.9Å
376	R	95	Very high	97	Very high	66 Å²	66	61.2 Å²	61.2	25%	0.249	30%	0.304	C	S	.	.			trans	-122.9	116.2	175.5	-67.3	-164.5	70.6	-160.1	-4.9	109.4	L378 T471 I474 N477 D510	R376-L378 HydrophobicContact CB-CG 4.46Å; R376-T471 WeakPolarHBondContact O-CB 3.42Å; R376-T471 PolarHBondContact O-OG1 2.96Å; R376-I474 PolarHBondContact NH1-O 2.89Å; R376-N477 PolarHBondContact NH2-OD1 3.18Å; R376-D510 IonicContact NH2-OD1 3.17Å; R376-D510 PolarHBondContact NH2-OD1 3.34Å; R376-D510 VanDerWaalsContact NH2-OD1 3.17Å
377	S	96.9	Very high	97	Very high	29 Å²	29	57.3 Å²	57.3	20%	0.203	28%	0.28	C	S	.	.			trans	-88.6	120.5	171.5	-151	0	0	0	0	109.1	L441 V442	S377-L441 WeakPolarHBondContact OG-CD1 3.22Å; S377-L441 WeakPolarHBondContact OG-CD2 3.5Å; S377-L441 WeakPolarHBondContact OG-CG 3.07Å; S377-V442 WeakPolarHBondContact CA-O 3.21Å
378	L	97.3	Very high	97	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	139	-173.4	-67.5	176.8	0	0	0	110.5	R376 V442 I474 F508	R376-L378 HydrophobicContact CB-CG 4.46Å; L378-V442 PolarHBondContact N-O 3.43Å; L378-V442 VanDerWaalsContact O-CG2 3.29Å; L378-V442 WeakPolarHBondContact O-CG2 3.24Å; L378-V442 PolarHBondContact O-N 2.94Å; L378-I474 HydrophobicContact CD1-CB 3.8Å; L378-I474 HydrophobicContact CD1-CG1 4Å; L378-I474 HydrophobicContact CD1-CG2 3.92Å; L378-F508 HydrophobicContact CB-CB 4.22Å; L378-F508 HydrophobicContact CB-CD1 3.94Å; L378-F508 HydrophobicContact CB-CG 4.35Å; L378-F508 HydrophobicContact CD1-CB 4.37Å; L378-F508 HydrophobicContact CD1-CD1 4.3Å; L378-F508 HydrophobicContact CD1-CG 4.23Å; L378-F508 HydrophobicContact CD2-CB 4.46Å
379	R	97.8	Very high	96.9	Very high	86 Å²	86	48 Å²	48	33%	0.325	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	125.9	172.6	-173.9	177	-64.2	-80	2.2	110.3	K381 G439 P440 L441 F508 S509	R379-K381 PolarHBondContact O-N 2.79Å; R379-G439 VanDerWaalsContact CG-O 3.24Å; R379-G439 WeakPolarHBondContact CG-O 3.31Å; R379-G439 PolarHBondContact NH1-O 3.11Å; R379-P440 WeakPolarHBondContact CA-O 3.36Å; R379-L441 HydrophobicContact CB-CD1 4.45Å; R379-F508 CarbonylContact O-C 3.56Å; R379-F508 WeakPolarHBondContact O-CA 3.22Å; R379-S509 PolarHBondContact N-O 2.69Å; R379-S509 PolarHBondContact O-N 3.17Å
380	I	98.1	Very high	96.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	122.7	176.9	-43.9	-165.1	0	0	0	109.3	I403 L436 G439 P440 V442 M506 F508	I380-I403 HydrophobicContact CD1-CD1 3.82Å; I380-I403 HydrophobicContact CD1-CG2 4.32Å; I380-L436 HydrophobicContact CB-CD1 4.08Å; I380-L436 HydrophobicContact CG2-CD1 3.69Å; I380-G439 VanDerWaalsContact O-CA 3.31Å; I380-G439 WeakPolarHBondContact O-CA 3.45Å; I380-P440 HydrophobicContact CD1-CG 4.5Å; I380-P440 HydrophobicContact CG1-CG 4.43Å; I380-P440 PolarHBondContact N-O 3.36Å; I380-V442 HydrophobicContact CD1-CG1 4.01Å; I380-V442 HydrophobicContact CD1-CG2 3.96Å; I380-V442 HydrophobicContact CG1-CG1 4.28Å; I380-V442 HydrophobicContact CG1-CG2 3.86Å; I380-M506 HydrophobicContact CD1-CE 3.54Å; I380-M506 HydrophobicContact CG1-CE 4.39Å; I380-M506 HydrophobicContact CG2-CE 3.57Å; I380-F508 HydrophobicContact CB-CD1 4.48Å; I380-F508 HydrophobicContact CD1-CE1 4.09Å; I380-F508 HydrophobicContact CG1-CD1 3.99Å; I380-F508 HydrophobicContact CG1-CE1 3.81Å
381	K	97.8	Very high	96.7	Very high	92 Å²	92	41.6 Å²	41.6	40%	0.4	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-46.6	-176.4	-65.8	-67.8	-177.9	170.1	0	112.7	R379 L436 F507 S509	R379-K381 PolarHBondContact O-N 2.79Å; K381-L436 PolarHBondContact O-N 2.94Å; K381-F507 PolarHBondContact N-O 3.45Å; K381-S509 VanDerWaalsContact CE-CB 3.43Å; K381-S509 WeakPolarHBondContact CE-OG 3.15Å
382	S	98.3	Very high	96.7	Very high	23 Å²	23	38.4 Å²	38.4	16%	0.161	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	159.8	-178.6	61.4	0	0	0	0	112.2	I434 F507	S382-I434 CarbonylContact C-O 3.6Å; S382-I434 WeakPolarHBondContact CA-O 3.11Å; S382-I434 WeakPolarHBondContact CB-O 3.35Å; S382-F507 PolarHBondContact N-O 3.35Å; S382-F507 PolarHBondContact O-N 3.5Å; S382-F507 WeakPolarHBondContact OG-CD2 3.34Å
383	I	98.6	Very high	96.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	118.7	177.2	-55.4	174.4	0	0	0	107.1	V401 I434 F450 V504 T505 M506	I383-V401 HydrophobicContact CD1-CG1 3.86Å; I383-V401 HydrophobicContact CD1-CG2 4.41Å; I383-I434 HydrophobicContact CB-CB 4.45Å; I383-I434 PolarHBondContact N-O 3.24Å; I383-I434 PolarHBondContact O-N 2.78Å; I383-F450 HydrophobicContact CD1-CZ 4.25Å; I383-F450 HydrophobicContact CG2-CE1 4.1Å; I383-F450 HydrophobicContact CG2-CZ 3.92Å; I383-V504 HydrophobicContact CG2-CG1 3.63Å; I383-T505 CarbonylContact C-O 3.59Å; I383-T505 WeakPolarHBondContact CA-O 3.26Å; I383-M506 HydrophobicContact CD1-CE 4.42Å; I383-M506 HydrophobicContact CG1-CE 4.36Å; I383-M506 HydrophobicContact CG1-CG 4.46Å
384	R	98.6	Very high	96.6	Very high	63 Å²	63	40.8 Å²	40.8	24%	0.238	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.2	171.9	178.3	173.6	179.3	155.6	10.6	109.2	H386 D426 S429 A431 A432 V433 V504 T505 F507	R384-H386 WeakPolarHBondContact CD-CE1 3.14Å; R384-H386 PolarHBondContact NE-CE1 3.39Å; R384-H386 PolarHBondContact NE-ND1 3.36Å; R384-D426 IonicContact NH2-OD2 2.62Å; R384-D426 PolarHBondContact NH2-OD2 3.31Å; R384-S429 VanDerWaalsContact NH2-CB 3.31Å; R384-A431 HydrophobicContact CG-CB 4.38Å; R384-A432 CarbonylContact C-O 3.57Å; R384-A432 WeakPolarHBondContact CA-O 3.36Å; R384-V433 HydrophobicContact CB-CG2 4.22Å; R384-V433 HydrophobicContact CG-CG2 4.09Å; R384-V504 CarbonylContact O-C 3.55Å; R384-V504 WeakPolarHBondContact O-CA 3.19Å; R384-T505 PolarHBondContact N-O 2.88Å; R384-T505 PolarHBondContact O-N 3Å; R384-F507 HydrophobicContact CB-CE2 3.99Å
385	I	98.4	Very high	96.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	120.3	172.7	-52.6	174	0	0	0	107.4	I388 L399 A431 A432 I434 F450 F502	I385-I388 HydrophobicContact CB-CD1 4.12Å; I385-I388 HydrophobicContact CD1-CD1 4.31Å; I385-I388 HydrophobicContact CG2-CD1 3.62Å; I385-L399 HydrophobicContact CD1-CD1 3.13Å; I385-A431 CarbonylContact O-C 3.59Å; I385-A431 WeakPolarHBondContact O-CA 3.14Å; I385-A431 WeakPolarHBondContact O-CB 3.4Å; I385-A432 PolarHBondContact N-O 3.26Å; I385-A432 PolarHBondContact O-N 2.76Å; I385-I434 HydrophobicContact CD1-CD1 4.02Å; I385-F450 HydrophobicContact CD1-CD1 4.46Å; I385-F450 HydrophobicContact CD1-CE1 4.25Å; I385-F502 HydrophobicContact CG2-CD2 4.4Å; I385-F502 HydrophobicContact CG2-CE2 3.57Å; I385-F502 HydrophobicContact CG2-CZ 4.05Å
386	H	98.3	Very high	96.7	Very high	41 Å²	41	35.8 Å²	35.8	19%	0.19	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	151	178.4	-56.1	-83.6	0	0	0	110.3	R384 I388 F480 F502 G503 T505	R384-H386 WeakPolarHBondContact CD-CE1 3.14Å; R384-H386 PolarHBondContact NE-CE1 3.39Å; R384-H386 PolarHBondContact NE-ND1 3.36Å; H386-I388 PolarHBondContact O-N 2.88Å; H386-F480 AromaticContact CD2-CE2 3.9Å; H386-F502 WeakPolarHBondContact O-CD2 3.39Å; H386-G503 PolarHBondContact N-O 2.89Å; H386-T505 PolarHBondContact NE2-OG1 3.37Å
387	S	97	Very high	96.8	Very high	5 Å²	5	34 Å²	34	4%	0.035	20%	0.199	C	C	.	.	S	Bend	trans	52.1	51.7	-176.9	-152	0	0	0	0	113	N430 D501	S387-N430 WeakPolarHBondContact CA-ND2 3.32Å; S387-N430 VanDerWaalsContact CA-O 3.26Å; S387-N430 WeakPolarHBondContact CA-O 3.16Å; S387-N430 PolarHBondContact N-O 3.5Å; S387-N430 PolarHBondContact OG-ND2 3.3Å; S387-D501 VanDerWaalsContact CB-CG 3.44Å; S387-D501 WeakPolarHBondContact CB-OD1 3.42Å; S387-D501 PolarHBondContact OG-OD1 3.1Å; S387-D501 PolarHBondContact OG-OD2 3.26Å
388	I	96.6	Very high	96.8	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	19%	0.19	C	C	.	.			trans	-77.4	-23.5	-174	-168.2	69.5	0	0	0	112.7	I385 H386 G390 V391 G394 N430 A432	I385-I388 HydrophobicContact CB-CD1 4.12Å; I385-I388 HydrophobicContact CD1-CD1 4.31Å; I385-I388 HydrophobicContact CG2-CD1 3.62Å; H386-I388 PolarHBondContact O-N 2.88Å; I388-G390 PolarHBondContact O-N 3.36Å; I388-V391 HydrophobicContact CD1-CB 4.12Å; I388-V391 HydrophobicContact CD1-CG1 4.35Å; I388-V391 VanDerWaalsContact O-CB 3.32Å; I388-V391 WeakPolarHBondContact O-CB 3.35Å; I388-V391 PolarHBondContact O-N 3.31Å; I388-G394 WeakPolarHBondContact CG2-O 3.24Å; I388-G394 WeakPolarHBondContact O-CA 3.26Å; I388-N430 PolarHBondContact N-O 3.23Å; I388-N430 VanDerWaalsContact N-O 3.12Å; I388-N430 PolarHBondContact N-OD1 3.1Å; I388-A432 HydrophobicContact CB-CB 4.48Å; I388-A432 HydrophobicContact CG1-CB 4.18Å; I388-A432 HydrophobicContact CG2-CB 4.26Å
389	A	95.2	Very high	96.8	Very high	49 Å²	49	32.8 Å²	32.8	41%	0.405	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	126.8	-179.6	0	0	0	0	0	111.9	V391 N430	A389-V391 VanDerWaalsContact C-N 3.29Å; A389-V391 PolarHBondContact O-N 3.07Å; A389-N430 WeakPolarHBondContact CB-OD1 3.14Å; A389-N430 PolarHBondContact N-OD1 3.23Å
390	G	92.5	Very high	96.9	Very high	63 Å²	63	31.1 Å²	31.1	65%	0.649	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	83	-4.5	-176.1	0	0	0	0	0	115	I388	I388-G390 PolarHBondContact O-N 3.36Å
391	V	96.8	Very high	96.9	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.012	19%	0.186	C	C	.	.	S	Bend	trans	-93.8	110.5	171.2	-175.7	0	0	0	0	109.2	I388 A389 K393 G394 L456 I497 Y498 F502	I388-V391 HydrophobicContact CD1-CB 4.12Å; I388-V391 HydrophobicContact CD1-CG1 4.35Å; I388-V391 VanDerWaalsContact O-CB 3.32Å; I388-V391 WeakPolarHBondContact O-CB 3.35Å; I388-V391 PolarHBondContact O-N 3.31Å; A389-V391 VanDerWaalsContact C-N 3.29Å; A389-V391 PolarHBondContact O-N 3.07Å; V391-K393 PolarHBondContact O-N 3.3Å; V391-G394 WeakPolarHBondContact O-CA 3.25Å; V391-G394 PolarHBondContact O-N 3.19Å; V391-L456 HydrophobicContact CG1-CD1 3.84Å; V391-I497 HydrophobicContact CG2-CG2 4.23Å; V391-Y498 HydrophobicContact CG1-CD1 4.29Å; V391-Y498 HydrophobicContact CG1-CE1 3.83Å; V391-Y498 HydrophobicContact CG2-CD1 4.13Å; V391-Y498 HydrophobicContact CG2-CE1 4.48Å; V391-F502 HydrophobicContact CG1-CE2 4.4Å; V391-F502 HydrophobicContact CG2-CD2 4.14Å; V391-F502 HydrophobicContact CG2-CE2 4.05Å
392	G	96.1	Very high	96.9	Very high	27 Å²	27	28.6 Å²	28.6	28%	0.278	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	-122.8	-178.7	0	0	0	0	0	110.5	G394	G392-G394 VanDerWaalsContact C-N 3.29Å
393	K	96.1	Very high	96.9	Very high	121 Å²	121	27.5 Å²	27.5	53%	0.526	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-8.3	172.2	-71.4	-179.1	-178.9	177.9	0	113.7	V391 D395 S397 D398 A454	V391-K393 PolarHBondContact O-N 3.3Å; K393-D395 VanDerWaalsContact C-N 3.34Å; K393-D395 WeakPolarHBondContact CB-OD1 3.41Å; K393-S397 WeakPolarHBondContact CD-OG 3.34Å; K393-D398 HydrophobicContact CB-CB 4.41Å; K393-D398 WeakPolarHBondContact CB-OD1 3.26Å; K393-D398 HydrophobicContact CD-CB 3.95Å; K393-D398 HydrophobicContact CG-CB 3.94Å; K393-D398 PolarHBondContact N-OD1 3.46Å; K393-A454 HydrophobicContact CG-CB 4.24Å
394	G	95.8	Very high	96.9	Very high	22 Å²	22	28.8 Å²	28.8	23%	0.227	17%	0.174	C	C	.	.	S	Bend	trans	82.1	6.6	179.1	0	0	0	0	0	115.2	I388 V391 G392	I388-G394 WeakPolarHBondContact CG2-O 3.24Å; I388-G394 WeakPolarHBondContact O-CA 3.26Å; V391-G394 WeakPolarHBondContact O-CA 3.25Å; V391-G394 PolarHBondContact O-N 3.19Å; G392-G394 VanDerWaalsContact C-N 3.29Å
395	D	95.2	Very high	96.8	Very high	59 Å²	59	28.4 Å²	28.4	32%	0.316	18%	0.175	S	C	.	.	S	Bend	trans	-133.1	0.6	-178	64.8	2.8	0	0	0	113.5	K393 S397 P425 A432	K393-D395 VanDerWaalsContact C-N 3.34Å; K393-D395 WeakPolarHBondContact CB-OD1 3.41Å; D395-S397 VanDerWaalsContact CG-OG 3.29Å; D395-S397 PolarHBondContact O-N 2.98Å; D395-S397 WeakPolarHBondContact OD1-CB 3.28Å; D395-S397 PolarHBondContact OD1-N 3.48Å; D395-S397 PolarHBondContact OD1-OG 2.9Å; D395-S397 PolarHBondContact OD2-OG 3.43Å; D395-P425 HydrophobicContact CB-CB 4.5Å; D395-A432 WeakPolarHBondContact O-CB 3.29Å
396	G	95.2	Very high	96.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	77.6	-2.2	-177.6	0	0	0	0	0	115.2	D398 L399 C415	G396-D398 VanDerWaalsContact C-N 3.27Å; G396-D398 PolarHBondContact O-N 3.24Å; G396-L399 WeakPolarHBondContact O-CB 3.31Å; G396-L399 PolarHBondContact O-N 3.43Å; G396-C415 VanDerWaalsContact O-CB 3.26Å; G396-C415 WeakPolarHBondContact O-CB 3.46Å
397	S	96.4	Very high	96.1	Very high	28 Å²	28	36.3 Å²	36.3	20%	0.196	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-22.3	-177	68.2	0	0	0	0	113.7	K393 D395 L399 C415 T416	K393-S397 WeakPolarHBondContact CD-OG 3.34Å; D395-S397 VanDerWaalsContact CG-OG 3.29Å; D395-S397 PolarHBondContact O-N 2.98Å; D395-S397 WeakPolarHBondContact OD1-CB 3.28Å; D395-S397 PolarHBondContact OD1-N 3.48Å; D395-S397 PolarHBondContact OD1-OG 2.9Å; D395-S397 PolarHBondContact OD2-OG 3.43Å; S397-L399 VanDerWaalsContact C-N 3.33Å; S397-C415 CarbonylContact O-C 3.47Å; S397-T416 WeakPolarHBondContact O-CA 3.24Å; S397-T416 WeakPolarHBondContact O-CB 3.43Å; S397-T416 PolarHBondContact O-N 3.1Å; S397-T416 PolarHBondContact O-OG1 3.19Å
398	D	97.2	Very high	96	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.011	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-6.1	177.2	62.9	-75.1	0	0	0	114.2	K393 G396 S452 S453 A454	K393-D398 HydrophobicContact CB-CB 4.41Å; K393-D398 WeakPolarHBondContact CB-OD1 3.26Å; K393-D398 HydrophobicContact CD-CB 3.95Å; K393-D398 HydrophobicContact CG-CB 3.94Å; K393-D398 PolarHBondContact N-OD1 3.46Å; G396-D398 VanDerWaalsContact C-N 3.27Å; G396-D398 PolarHBondContact O-N 3.24Å; D398-S452 CarbonylContact O-C 3.58Å; D398-S452 WeakPolarHBondContact O-CA 3.44Å; D398-S452 WeakPolarHBondContact OD2-CB 3.22Å; D398-S452 PolarHBondContact OD2-OG 2.88Å; D398-S453 PolarHBondContact O-N 2.96Å; D398-A454 HydrophobicContact CB-CB 3.79Å; D398-A454 WeakPolarHBondContact OD2-CB 3.31Å
399	L	98	Very high	96	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	154.7	-171.8	-60.9	177.9	0	0	0	113.1	I385 G396 S397 C415 I434 E451	I385-L399 HydrophobicContact CD1-CD1 3.13Å; G396-L399 WeakPolarHBondContact O-CB 3.31Å; G396-L399 PolarHBondContact O-N 3.43Å; S397-L399 VanDerWaalsContact C-N 3.33Å; L399-C415 HydrophobicContact CB-CB 4.5Å; L399-C415 WeakPolarHBondContact O-CB 3.31Å; L399-C415 PolarHBondContact O-N 2.96Å; L399-C415 PolarHBondContact O-SG 2.68Å; L399-C415 VanDerWaalsContact O-SG 3.34Å; L399-I434 HydrophobicContact CD1-CD1 4.3Å; L399-E451 CarbonylContact C-O 3.6Å; L399-E451 WeakPolarHBondContact CA-O 3.39Å
400	K	98.3	Very high	96.2	Very high	51 Å²	51	46.6 Å²	46.6	22%	0.222	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	126	169.9	166.6	177.9	176.3	-147.4	0	108.3	Q412 C413 V414 F450 E451	K400-Q412 HydrophobicContact CG-CG 4.38Å; K400-C413 CarbonylContact C-O 3.6Å; K400-C413 WeakPolarHBondContact CA-O 3.42Å; K400-C413 WeakPolarHBondContact CG-O 3.32Å; K400-V414 HydrophobicContact CD-CG2 4.01Å; K400-V414 HydrophobicContact CG-CG2 4.09Å; K400-F450 WeakPolarHBondContact O-CA 3.41Å; K400-E451 HydrophobicContact CB-CB 4.04Å; K400-E451 VanDerWaalsContact CD-OE2 3.23Å; K400-E451 WeakPolarHBondContact CD-OE2 3.41Å; K400-E451 VanDerWaalsContact CE-OE2 3.29Å; K400-E451 WeakPolarHBondContact CE-OE2 3.45Å; K400-E451 HydrophobicContact CG-CB 4.39Å; K400-E451 PolarHBondContact N-O 2.73Å; K400-E451 IonicContact NZ-OE2 3.43Å; K400-E451 PolarHBondContact NZ-OE2 3.4Å; K400-E451 PolarHBondContact O-N 2.93Å
401	V	98.5	Very high	96.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	131.3	-175.6	-172.3	0	0	0	0	109.3	I383 I403 Q412 C413 I434 V448 M449 F450	I383-V401 HydrophobicContact CD1-CG1 3.86Å; I383-V401 HydrophobicContact CD1-CG2 4.41Å; V401-I403 HydrophobicContact CG1-CG1 4.41Å; V401-Q412 VanDerWaalsContact O-CA 3.27Å; V401-Q412 WeakPolarHBondContact O-CA 3.5Å; V401-C413 PolarHBondContact N-O 3.35Å; V401-C413 PolarHBondContact O-N 3.22Å; V401-I434 HydrophobicContact CG2-CD1 4.04Å; V401-V448 HydrophobicContact CG1-CG1 3.71Å; V401-M449 WeakPolarHBondContact CA-O 3.38Å; V401-F450 HydrophobicContact CG1-CE1 4.39Å; V401-F450 HydrophobicContact CG1-CZ 4.43Å; V401-F450 HydrophobicContact CG2-CD1 3.83Å; V401-F450 HydrophobicContact CG2-CE1 3.73Å
402	K	98.5	Very high	96.5	Very high	38 Å²	38	46.8 Å²	46.8	17%	0.165	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.9	171	-67.3	173	172.8	174.7	0	109.2	Q409 Q412 V448 M449 E451	K402-Q409 VanDerWaalsContact CD-OE1 3.31Å; K402-Q412 HydrophobicContact CG-CG 4.08Å; K402-V448 WeakPolarHBondContact O-CA 3.38Å; K402-M449 HydrophobicContact CB-CB 4.37Å; K402-M449 PolarHBondContact N-O 3.31Å; K402-M449 PolarHBondContact O-N 3.39Å; K402-E451 WeakPolarHBondContact CE-OE1 3.33Å; K402-E451 WeakPolarHBondContact CE-OE2 3.47Å; K402-E451 IonicContact NZ-OE1 2.65Å; K402-E451 PolarHBondContact NZ-OE1 3.39Å; K402-E451 IonicContact NZ-OE2 2.68Å; K402-E451 PolarHBondContact NZ-OE2 3.49Å
403	I	98.6	Very high	96.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.6	174.7	-57.1	164.2	0	0	0	107.8	I380 V401 I410 F411 L436 P440 V442 V446 K447 V448	I380-I403 HydrophobicContact CD1-CD1 3.82Å; I380-I403 HydrophobicContact CD1-CG2 4.32Å; V401-I403 HydrophobicContact CG1-CG1 4.41Å; I403-I410 HydrophobicContact CB-CG1 4.41Å; I403-I410 HydrophobicContact CG2-CD1 3.99Å; I403-I410 HydrophobicContact CG2-CG1 4.04Å; I403-I410 VanDerWaalsContact O-CG1 3.3Å; I403-I410 WeakPolarHBondContact O-CG1 3.4Å; I403-I410 PolarHBondContact O-N 3.5Å; I403-F411 HydrophobicContact CB-CB 4.21Å; I403-F411 HydrophobicContact CD1-CB 4.26Å; I403-F411 HydrophobicContact CD1-CD1 3.82Å; I403-F411 HydrophobicContact CD1-CG 4.35Å; I403-F411 HydrophobicContact CG1-CD1 4.49Å; I403-F411 PolarHBondContact N-O 3.2Å; I403-F411 PolarHBondContact O-N 3.22Å; I403-L436 HydrophobicContact CD1-CD1 4.07Å; I403-P440 HydrophobicContact CD1-CG 3.6Å; I403-P440 HydrophobicContact CG2-CG 4.46Å; I403-V442 HydrophobicContact CG2-CG1 4.22Å; I403-V446 HydrophobicContact CG2-CG1 3.74Å; I403-K447 WeakPolarHBondContact CA-O 3.11Å; I403-V448 HydrophobicContact CG1-CG1 4.43Å
404	I	98.4	Very high	96.6	Very high	28 Å²	28	40.9 Å²	40.9	14%	0.144	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.7	-173.7	-60.5	166.8	0	0	0	108.5	N408 Q409 K447 M449	I404-N408 VanDerWaalsContact CA-O 3.27Å; I404-N408 WeakPolarHBondContact CA-O 3.45Å; I404-N408 WeakPolarHBondContact CG2-O 3.42Å; I404-Q409 HydrophobicContact CG1-CB 4.33Å; I404-K447 HydrophobicContact CB-CB 4.23Å; I404-K447 HydrophobicContact CD1-CD 4.36Å; I404-K447 PolarHBondContact N-O 3.43Å; I404-K447 PolarHBondContact O-N 3.12Å; I404-M449 HydrophobicContact CD1-SD 3.65Å
405	M	96.2	Very high	96.7	Very high	55 Å²	55	40 Å²	40	27%	0.271	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	133.5	177.3	-174	177.2	74.2	0	0	108.2	K407 N408 I410 V442 E443	M405-K407 PolarHBondContact O-N 3.03Å; M405-N408 PolarHBondContact N-O 3.25Å; M405-N408 PolarHBondContact O-N 3.12Å; M405-I410 HydrophobicContact CB-CD1 3.74Å; M405-I410 HydrophobicContact CB-CG1 4.22Å; M405-I410 HydrophobicContact CB-CG2 4.22Å; M405-I410 HydrophobicContact CE-CD1 4.27Å; M405-I410 HydrophobicContact SD-CD1 4.36Å; M405-V442 HydrophobicContact SD-CB 4.35Å; M405-E443 PolarHBondContact SD-N 3.31Å; M405-E443 VanDerWaalsContact SD-N 3.4Å
406	G	91.8	Very high	96.7	Very high	63 Å²	63	40.8 Å²	40.8	65%	0.649	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	35.7	-178.4	0	0	0	0	0	114.1	N408	G406-N408 PolarHBondContact O-N 3Å
407	K	89.7	Confident	96.8	Very high	144 Å²	144	45.6 Å²	45.6	63%	0.626	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.6	5.7	-175	-54.5	-177.8	177.1	-175.9	0	115.8	M405	M405-K407 PolarHBondContact O-N 3.03Å
408	N	95.2	Very high	96.7	Very high	110 Å²	110	49.2 Å²	49.2	59%	0.588	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.3	175.8	-63.7	-44	0	0	0	110.3	I404 M405 G406 I410	I404-N408 VanDerWaalsContact CA-O 3.27Å; I404-N408 WeakPolarHBondContact CA-O 3.45Å; I404-N408 WeakPolarHBondContact CG2-O 3.42Å; M405-N408 PolarHBondContact N-O 3.25Å; M405-N408 PolarHBondContact O-N 3.12Å; G406-N408 PolarHBondContact O-N 3Å; N408-I410 PolarHBondContact O-N 3.37Å; N408-I410 VanDerWaalsContact O-N 3.14Å
409	Q	97.1	Very high	96.7	Very high	99 Å²	99	53.6 Å²	53.6	46%	0.463	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	105.2	168.1	-176.8	-176.9	-75.8	0	0	108.2	K402 I404	K402-Q409 VanDerWaalsContact CD-OE1 3.31Å; I404-Q409 HydrophobicContact CG1-CB 4.33Å
410	I	97.7	Very high	96.6	Very high	65 Å²	65	56.7 Å²	56.7	33%	0.333	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-19.5	-176.9	55.3	162.5	0	0	0	112.6	I403 M405 N408 P440 V442	I403-I410 HydrophobicContact CB-CG1 4.41Å; I403-I410 HydrophobicContact CG2-CD1 3.99Å; I403-I410 HydrophobicContact CG2-CG1 4.04Å; I403-I410 VanDerWaalsContact O-CG1 3.3Å; I403-I410 WeakPolarHBondContact O-CG1 3.4Å; I403-I410 PolarHBondContact O-N 3.5Å; M405-I410 HydrophobicContact CB-CD1 3.74Å; M405-I410 HydrophobicContact CB-CG1 4.22Å; M405-I410 HydrophobicContact CB-CG2 4.22Å; M405-I410 HydrophobicContact CE-CD1 4.27Å; M405-I410 HydrophobicContact SD-CD1 4.36Å; N408-I410 PolarHBondContact O-N 3.37Å; N408-I410 VanDerWaalsContact O-N 3.14Å; I410-P440 HydrophobicContact CD1-CB 4.22Å; I410-V442 HydrophobicContact CD1-CG1 3.59Å
411	F	98.1	Very high	96.6	Very high	24 Å²	24	54.2 Å²	54.2	11%	0.105	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	149.8	178.1	-175.1	-91.2	0	0	0	111.3	I403 C413 N420 L436 P440	I403-F411 HydrophobicContact CB-CB 4.21Å; I403-F411 HydrophobicContact CD1-CB 4.26Å; I403-F411 HydrophobicContact CD1-CD1 3.82Å; I403-F411 HydrophobicContact CD1-CG 4.35Å; I403-F411 HydrophobicContact CG1-CD1 4.49Å; I403-F411 PolarHBondContact N-O 3.2Å; I403-F411 PolarHBondContact O-N 3.22Å; F411-C413 HydrophobicContact CE1-CB 3.75Å; F411-C413 HydrophobicContact CZ-CB 4.21Å; F411-N420 HydrophobicContact CE2-CB 4.08Å; F411-N420 HydrophobicContact CZ-CB 3.74Å; F411-N420 WeakPolarHBondContact CZ-O 3.48Å; F411-L436 HydrophobicContact CE1-CB 4.43Å; F411-L436 HydrophobicContact CE1-CD1 4.14Å; F411-L436 HydrophobicContact CE1-CD2 4.03Å; F411-L436 HydrophobicContact CE1-CG 4.43Å; F411-L436 HydrophobicContact CZ-CB 4.17Å; F411-L436 HydrophobicContact CZ-CD2 4.48Å; F411-P440 HydrophobicContact CB-CB 3.92Å; F411-P440 HydrophobicContact CB-CG 3.61Å; F411-P440 HydrophobicContact CD1-CG 4.44Å; F411-P440 HydrophobicContact CD2-CB 4.38Å; F411-P440 HydrophobicContact CD2-CG 4.22Å; F411-P440 HydrophobicContact CG-CB 4.36Å; F411-P440 HydrophobicContact CG-CG 3.86Å
412	Q	97.9	Very high	96.6	Very high	44 Å²	44	59 Å²	59	21%	0.206	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	138.8	171.4	-176.3	-174.6	-85.8	0	0	109.6	K400 V401 K402 N420	K400-Q412 HydrophobicContact CG-CG 4.38Å; V401-Q412 VanDerWaalsContact O-CA 3.27Å; V401-Q412 WeakPolarHBondContact O-CA 3.5Å; K402-Q412 HydrophobicContact CG-CG 4.08Å; Q412-N420 PolarHBondContact O-ND2 3.2Å
413	C	97.9	Very high	96.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	150.7	167.2	72.9	0	0	0	0	111.3	K400 V401 F411 E419 N420 C421 L436	K400-C413 CarbonylContact C-O 3.6Å; K400-C413 WeakPolarHBondContact CA-O 3.42Å; K400-C413 WeakPolarHBondContact CG-O 3.32Å; V401-C413 PolarHBondContact N-O 3.35Å; V401-C413 PolarHBondContact O-N 3.22Å; F411-C413 HydrophobicContact CE1-CB 3.75Å; F411-C413 HydrophobicContact CZ-CB 4.21Å; C413-E419 CarbonylContact C-O 3.15Å; C413-E419 WeakPolarHBondContact CA-O 3.15Å; C413-E419 VanDerWaalsContact CB-O 3.23Å; C413-E419 WeakPolarHBondContact CB-O 3.3Å; C413-N420 HydrophobicContact CB-CB 4.07Å; C413-C421 HydrophobicContact CB-CB 3.62Å; C413-L436 HydrophobicContact CB-CD2 4.49Å
414	V	97.8	Very high	96.4	Very high	24 Å²	24	63.7 Å²	63.7	15%	0.145	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	108.3	-178.4	-175.1	0	0	0	0	108.5	K400 T416 T417 Q418 E419	K400-V414 HydrophobicContact CD-CG2 4.01Å; K400-V414 HydrophobicContact CG-CG2 4.09Å; V414-T416 VanDerWaalsContact C-N 3.27Å; V414-T416 PolarHBondContact O-N 3.16Å; V414-T417 WeakPolarHBondContact CB-OG1 3.43Å; V414-T417 WeakPolarHBondContact CG1-OG1 3.29Å; V414-T417 PolarHBondContact O-N 3.39Å; V414-Q418 WeakPolarHBondContact O-CA 3.45Å; V414-Q418 PolarHBondContact O-N 3.48Å; V414-E419 HydrophobicContact CB-CB 4.17Å; V414-E419 HydrophobicContact CG2-CB 4.49Å; V414-E419 PolarHBondContact N-O 3.16Å; V414-E419 PolarHBondContact O-N 3.16Å; V414-E419 VanDerWaalsContact O-N 3.12Å
415	C	97	Very high	96.1	Very high	4 Å²	4	66.7 Å²	66.7	3%	0.027	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-32.5	-174.2	-67.6	0	0	0	0	113	G396 S397 L399 Q418 V423	G396-C415 VanDerWaalsContact O-CB 3.26Å; G396-C415 WeakPolarHBondContact O-CB 3.46Å; S397-C415 CarbonylContact O-C 3.47Å; L399-C415 HydrophobicContact CB-CB 4.5Å; L399-C415 WeakPolarHBondContact O-CB 3.31Å; L399-C415 PolarHBondContact O-N 2.96Å; L399-C415 PolarHBondContact O-SG 2.68Å; L399-C415 VanDerWaalsContact O-SG 3.34Å; C415-Q418 PolarHBondContact O-N 2.99Å; C415-V423 HydrophobicContact CB-CG2 3.55Å; C415-V423 VanDerWaalsContact SG-CG2 3.55Å
416	T	95.4	Very high	95.9	Very high	76 Å²	76	66.4 Å²	66.4	47%	0.466	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-40.8	-177.2	-52.7	0	0	0	0	112.3	S397 V414	S397-T416 WeakPolarHBondContact O-CA 3.24Å; S397-T416 WeakPolarHBondContact O-CB 3.43Å; S397-T416 PolarHBondContact O-N 3.1Å; S397-T416 PolarHBondContact O-OG1 3.19Å; V414-T416 VanDerWaalsContact C-N 3.27Å; V414-T416 PolarHBondContact O-N 3.16Å
417	T	96.1	Very high	95.6	Very high	100 Å²	100	68.1 Å²	68.1	61%	0.613	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-4	178.2	51.8	0	0	0	0	112.6	V414 E419	V414-T417 WeakPolarHBondContact CB-OG1 3.43Å; V414-T417 WeakPolarHBondContact CG1-OG1 3.29Å; V414-T417 PolarHBondContact O-N 3.39Å; T417-E419 PolarHBondContact O-N 3.33Å
418	Q	95.3	Very high	95.5	Very high	104 Å²	104	65.1 Å²	65.1	49%	0.486	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	34.3	-170.6	-62.4	-167.5	42.9	0	0	113	V414 C415 N420 C421	V414-Q418 WeakPolarHBondContact O-CA 3.45Å; V414-Q418 PolarHBondContact O-N 3.48Å; C415-Q418 PolarHBondContact O-N 2.99Å; Q418-N420 PolarHBondContact O-N 3.27Å; Q418-C421 CarbonylContact C-O 3.53Å; Q418-C421 VanDerWaalsContact CA-O 3.29Å; Q418-C421 WeakPolarHBondContact CA-O 3.45Å; Q418-C421 VanDerWaalsContact CB-O 3.3Å; Q418-C421 WeakPolarHBondContact CB-O 3.2Å
419	E	96.6	Very high	95.3	Very high	94 Å²	94	63 Å²	63	44%	0.439	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-73.8	120.2	174.3	-173.5	-169.3	160.9	0	0	109.4	C413 V414 T417 C421	C413-E419 CarbonylContact C-O 3.15Å; C413-E419 WeakPolarHBondContact CA-O 3.15Å; C413-E419 VanDerWaalsContact CB-O 3.23Å; C413-E419 WeakPolarHBondContact CB-O 3.3Å; V414-E419 HydrophobicContact CB-CB 4.17Å; V414-E419 HydrophobicContact CG2-CB 4.49Å; V414-E419 PolarHBondContact N-O 3.16Å; V414-E419 PolarHBondContact O-N 3.16Å; V414-E419 VanDerWaalsContact O-N 3.12Å; T417-E419 PolarHBondContact O-N 3.33Å; E419-C421 PolarHBondContact O-N 3.14Å; E419-C421 VanDerWaalsContact O-N 3.11Å
420	N	97	Very high	95.2	Very high	67 Å²	67	60.8 Å²	60.8	36%	0.358	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	17.6	-178.4	-53.9	-41.8	0	0	0	114.8	F411 Q412 C413 Q418 E437	F411-N420 HydrophobicContact CE2-CB 4.08Å; F411-N420 HydrophobicContact CZ-CB 3.74Å; F411-N420 WeakPolarHBondContact CZ-O 3.48Å; Q412-N420 PolarHBondContact O-ND2 3.2Å; C413-N420 HydrophobicContact CB-CB 4.07Å; Q418-N420 PolarHBondContact O-N 3.27Å; N420-E437 PolarHBondContact O-N 2.97Å
421	C	98	Very high	95.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	157	175.7	66.5	0	0	0	0	112.9	C413 Q418 E419 I434 S435 L436	C413-C421 HydrophobicContact CB-CB 3.62Å; Q418-C421 CarbonylContact C-O 3.53Å; Q418-C421 VanDerWaalsContact CA-O 3.29Å; Q418-C421 WeakPolarHBondContact CA-O 3.45Å; Q418-C421 VanDerWaalsContact CB-O 3.3Å; Q418-C421 WeakPolarHBondContact CB-O 3.2Å; E419-C421 PolarHBondContact O-N 3.14Å; E419-C421 VanDerWaalsContact O-N 3.11Å; C421-I434 HydrophobicContact CB-CG2 3.81Å; C421-S435 CarbonylContact C-O 3.46Å; C421-S435 WeakPolarHBondContact CA-O 3.44Å; C421-S435 VanDerWaalsContact CB-O 3.26Å; C421-S435 WeakPolarHBondContact CB-O 2.98Å; C421-L436 HydrophobicContact CB-CD2 4.24Å
422	K	97.9	Very high	95.2	Very high	100 Å²	100	56.6 Å²	56.6	44%	0.435	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.9	166	-64.7	-176	-178.6	177.2	0	110.2	F424 S435 E437	K422-F424 HydrophobicContact CB-CE2 3.66Å; K422-F424 HydrophobicContact CB-CZ 3.82Å; K422-F424 HydrophobicContact CD-CZ 4.29Å; K422-S435 PolarHBondContact N-O 3.33Å; K422-S435 PolarHBondContact O-N 3.44Å; K422-E437 WeakPolarHBondContact CE-OE1 3.41Å
423	V	97.1	Very high	95.2	Very high	23 Å²	23	56.2 Å²	56.2	14%	0.139	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.9	179.2	-173.2	0	0	0	0	109.9	C415 V433 I434	C415-V423 HydrophobicContact CB-CG2 3.55Å; C415-V423 VanDerWaalsContact SG-CG2 3.55Å; V423-V433 CarbonylContact C-O 3.53Å; V423-V433 WeakPolarHBondContact CA-O 3.39Å; V423-I434 HydrophobicContact CG2-CG1 4.43Å
424	F	96.3	Very high	95.2	Very high	113 Å²	113	56.2 Å²	56.2	50%	0.496	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	105.8	177.8	-58	-82.8	0	0	0	108.9	K422 V433	K422-F424 HydrophobicContact CB-CE2 3.66Å; K422-F424 HydrophobicContact CB-CZ 3.82Å; K422-F424 HydrophobicContact CD-CZ 4.29Å; F424-V433 HydrophobicContact CB-CB 4.41Å; F424-V433 PolarHBondContact N-O 2.86Å; F424-V433 PolarHBondContact O-N 2.79Å
425	P	92.1	Very high	95.3	Very high	91 Å²	91	57.3 Å²	57.3	59%	0.591	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	131.7	172.4	28.3	-32	0	0	0	109.8	D395	D395-P425 HydrophobicContact CB-CB 4.5Å
426	D	90.9	Very high	95.3	Very high	50 Å²	50	57.7 Å²	57.7	27%	0.267	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	76.2	173.4	178.6	3	0	0	0	107.9	R384 G428 S429 N430 A431	R384-D426 IonicContact NH2-OD2 2.62Å; R384-D426 PolarHBondContact NH2-OD2 3.31Å; D426-G428 PolarHBondContact O-N 3.24Å; D426-S429 CarbonylContact O-C 3.55Å; D426-S429 PolarHBondContact O-N 3.37Å; D426-S429 PolarHBondContact OD1-N 3.38Å; D426-S429 VanDerWaalsContact OD1-N 3.1Å; D426-S429 PolarHBondContact OD1-OG 3.42Å; D426-S429 WeakPolarHBondContact OD2-CB 3.47Å; D426-S429 PolarHBondContact OD2-OG 3.01Å; D426-N430 PolarHBondContact O-N 3.16Å; D426-N430 VanDerWaalsContact O-N 3.08Å; D426-A431 CarbonylContact C-O 3.21Å; D426-A431 WeakPolarHBondContact CA-O 3.45Å; D426-A431 HydrophobicContact CB-CB 4.25Å; D426-A431 PolarHBondContact N-O 2.78Å; D426-A431 PolarHBondContact O-N 2.97Å
427	A	86.1	Confident	95.3	Very high	98 Å²	98	57.7 Å²	57.7	81%	0.81	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-60.9	-31.3	-177	0	0	0	0	0	112.3	S429 N430	A427-S429 VanDerWaalsContact C-N 3.34Å; A427-N430 PolarHBondContact O-N 2.89Å
428	G	87.4	Confident	95.1	Very high	81 Å²	81	60.3 Å²	60.3	84%	0.835	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-66.1	-35.7	178.3	0	0	0	0	0	112.9	D426	D426-G428 PolarHBondContact O-N 3.24Å
429	S	91.5	Very high	95	Very high	66 Å²	66	55.5 Å²	55.5	46%	0.462	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-101.8	12.3	177.6	-43.6	0	0	0	0	113.9	R384 D426 A427 A431	R384-S429 VanDerWaalsContact NH2-CB 3.31Å; D426-S429 CarbonylContact O-C 3.55Å; D426-S429 PolarHBondContact O-N 3.37Å; D426-S429 PolarHBondContact OD1-N 3.38Å; D426-S429 VanDerWaalsContact OD1-N 3.1Å; D426-S429 PolarHBondContact OD1-OG 3.42Å; D426-S429 WeakPolarHBondContact OD2-CB 3.47Å; D426-S429 PolarHBondContact OD2-OG 3.01Å; A427-S429 VanDerWaalsContact C-N 3.34Å; S429-A431 VanDerWaalsContact C-N 3.28Å; S429-A431 PolarHBondContact O-N 3.15Å
430	N	96	Very high	95	Very high	52 Å²	52	51.6 Å²	51.6	28%	0.278	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	48.9	-173.9	-173.7	17.8	0	0	0	112.7	S387 I388 A389 D426 A427	S387-N430 WeakPolarHBondContact CA-ND2 3.32Å; S387-N430 VanDerWaalsContact CA-O 3.26Å; S387-N430 WeakPolarHBondContact CA-O 3.16Å; S387-N430 PolarHBondContact N-O 3.5Å; S387-N430 PolarHBondContact OG-ND2 3.3Å; I388-N430 PolarHBondContact N-O 3.23Å; I388-N430 VanDerWaalsContact N-O 3.12Å; I388-N430 PolarHBondContact N-OD1 3.1Å; A389-N430 WeakPolarHBondContact CB-OD1 3.14Å; A389-N430 PolarHBondContact N-OD1 3.23Å; D426-N430 PolarHBondContact O-N 3.16Å; D426-N430 VanDerWaalsContact O-N 3.08Å; A427-N430 PolarHBondContact O-N 2.89Å
431	A	97.4	Very high	95.1	Very high	2 Å²	2	52 Å²	52	2%	0.017	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	163.8	-175.3	0	0	0	0	0	112.3	R384 I385 D426 S429	R384-A431 HydrophobicContact CG-CB 4.38Å; I385-A431 CarbonylContact O-C 3.59Å; I385-A431 WeakPolarHBondContact O-CA 3.14Å; I385-A431 WeakPolarHBondContact O-CB 3.4Å; D426-A431 CarbonylContact C-O 3.21Å; D426-A431 WeakPolarHBondContact CA-O 3.45Å; D426-A431 HydrophobicContact CB-CB 4.25Å; D426-A431 PolarHBondContact N-O 2.78Å; D426-A431 PolarHBondContact O-N 2.97Å; S429-A431 VanDerWaalsContact C-N 3.28Å; S429-A431 PolarHBondContact O-N 3.15Å
432	A	97.5	Very high	95	Very high	0 Å²	0	52 Å²	52	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	135.3	168.4	0	0	0	0	0	109.5	R384 I385 I388 D395	R384-A432 CarbonylContact C-O 3.57Å; R384-A432 WeakPolarHBondContact CA-O 3.36Å; I385-A432 PolarHBondContact N-O 3.26Å; I385-A432 PolarHBondContact O-N 2.76Å; I388-A432 HydrophobicContact CB-CB 4.48Å; I388-A432 HydrophobicContact CG1-CB 4.18Å; I388-A432 HydrophobicContact CG2-CB 4.26Å; D395-A432 WeakPolarHBondContact O-CB 3.29Å
433	V	98.2	Very high	95	Very high	36 Å²	36	51.8 Å²	51.8	22%	0.218	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.2	177.8	-177	0	0	0	0	109.4	R384 V423 F424	R384-V433 HydrophobicContact CB-CG2 4.22Å; R384-V433 HydrophobicContact CG-CG2 4.09Å; V423-V433 CarbonylContact C-O 3.53Å; V423-V433 WeakPolarHBondContact CA-O 3.39Å; F424-V433 HydrophobicContact CB-CB 4.41Å; F424-V433 PolarHBondContact N-O 2.86Å; F424-V433 PolarHBondContact O-N 2.79Å
434	I	98.3	Very high	95	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	103.2	173.1	-52.7	168.4	0	0	0	106.9	S382 I383 I385 L399 V401 C421 V423 L436	S382-I434 CarbonylContact C-O 3.6Å; S382-I434 WeakPolarHBondContact CA-O 3.11Å; S382-I434 WeakPolarHBondContact CB-O 3.35Å; I383-I434 HydrophobicContact CB-CB 4.45Å; I383-I434 PolarHBondContact N-O 3.24Å; I383-I434 PolarHBondContact O-N 2.78Å; I385-I434 HydrophobicContact CD1-CD1 4.02Å; L399-I434 HydrophobicContact CD1-CD1 4.3Å; V401-I434 HydrophobicContact CG2-CD1 4.04Å; C421-I434 HydrophobicContact CB-CG2 3.81Å; V423-I434 HydrophobicContact CG2-CG1 4.43Å; I434-L436 HydrophobicContact CG2-CD2 3.93Å
435	S	98.3	Very high	95.1	Very high	47 Å²	47	47.3 Å²	47.3	33%	0.329	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	124.6	172.2	-177.4	0	0	0	0	109.2	C421 K422	C421-S435 CarbonylContact C-O 3.46Å; C421-S435 WeakPolarHBondContact CA-O 3.44Å; C421-S435 VanDerWaalsContact CB-O 3.26Å; C421-S435 WeakPolarHBondContact CB-O 2.98Å; K422-S435 PolarHBondContact N-O 3.33Å; K422-S435 PolarHBondContact O-N 3.44Å
436	L	97.7	Very high	95.4	Very high	11 Å²	11	43 Å²	43	6%	0.058	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	121.6	-177.1	-54.8	-173.9	0	0	0	110.1	I380 K381 I403 F411 C413 C421 I434 N438	I380-L436 HydrophobicContact CB-CD1 4.08Å; I380-L436 HydrophobicContact CG2-CD1 3.69Å; K381-L436 PolarHBondContact O-N 2.94Å; I403-L436 HydrophobicContact CD1-CD1 4.07Å; F411-L436 HydrophobicContact CE1-CB 4.43Å; F411-L436 HydrophobicContact CE1-CD1 4.14Å; F411-L436 HydrophobicContact CE1-CD2 4.03Å; F411-L436 HydrophobicContact CE1-CG 4.43Å; F411-L436 HydrophobicContact CZ-CB 4.17Å; F411-L436 HydrophobicContact CZ-CD2 4.48Å; C413-L436 HydrophobicContact CB-CD2 4.49Å; C421-L436 HydrophobicContact CB-CD2 4.24Å; I434-L436 HydrophobicContact CG2-CD2 3.93Å; L436-N438 PolarHBondContact O-N 3.45Å
437	E	95.3	Very high	95.8	Very high	77 Å²	77	41 Å²	41	36%	0.36	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	123.6	173.6	-61.9	-172.5	161.7	0	0	108.9	N420 K422 G439	N420-E437 PolarHBondContact O-N 2.97Å; K422-E437 WeakPolarHBondContact CE-OE1 3.41Å; E437-G439 PolarHBondContact O-N 3.22Å
438	N	91.3	Very high	96.4	Very high	154 Å²	154	36.4 Å²	36.4	82%	0.824	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	42.5	-173.7	-59.6	-44.2	0	0	0	112.9	L436	L436-N438 PolarHBondContact O-N 3.45Å
439	G	94.4	Very high	96.9	Very high	3 Å²	3	33.1 Å²	33.1	3%	0.031	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-51.1	146.6	-176.6	0	0	0	0	0	112.9	R379 I380 E437	R379-G439 VanDerWaalsContact CG-O 3.24Å; R379-G439 WeakPolarHBondContact CG-O 3.31Å; R379-G439 PolarHBondContact NH1-O 3.11Å; I380-G439 VanDerWaalsContact O-CA 3.31Å; I380-G439 WeakPolarHBondContact O-CA 3.45Å; E437-G439 PolarHBondContact O-N 3.22Å
440	P	97.1	Very high	97.3	Very high	13 Å²	13	30 Å²	30	8%	0.084	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-71.4	152.1	-164	30.3	-36.9	0	0	0	111.9	R379 I380 I403 I410 F411 V442	R379-P440 WeakPolarHBondContact CA-O 3.36Å; I380-P440 HydrophobicContact CD1-CG 4.5Å; I380-P440 HydrophobicContact CG1-CG 4.43Å; I380-P440 PolarHBondContact N-O 3.36Å; I403-P440 HydrophobicContact CD1-CG 3.6Å; I403-P440 HydrophobicContact CG2-CG 4.46Å; I410-P440 HydrophobicContact CD1-CB 4.22Å; F411-P440 HydrophobicContact CB-CB 3.92Å; F411-P440 HydrophobicContact CB-CG 3.61Å; F411-P440 HydrophobicContact CD1-CG 4.44Å; F411-P440 HydrophobicContact CD2-CB 4.38Å; F411-P440 HydrophobicContact CD2-CG 4.22Å; F411-P440 HydrophobicContact CG-CB 4.36Å; F411-P440 HydrophobicContact CG-CG 3.86Å; P440-V442 HydrophobicContact CB-CG1 4.42Å; P440-V442 HydrophobicContact CG-CG1 4.28Å
441	L	97.3	Very high	97.3	Very high	75 Å²	75	29.8 Å²	29.8	39%	0.393	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	129.9	163.3	-170.7	71	0	0	0	108.4	S377 R379	S377-L441 WeakPolarHBondContact OG-CD1 3.22Å; S377-L441 WeakPolarHBondContact OG-CD2 3.5Å; S377-L441 WeakPolarHBondContact OG-CG 3.07Å; R379-L441 HydrophobicContact CB-CD1 4.45Å
442	V	97.6	Very high	97.3	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	147.6	-177.6	-63.5	0	0	0	0	111.4	S377 L378 I380 I403 M405 I410 P440 V446 T471	S377-V442 WeakPolarHBondContact CA-O 3.21Å; L378-V442 PolarHBondContact N-O 3.43Å; L378-V442 VanDerWaalsContact O-CG2 3.29Å; L378-V442 WeakPolarHBondContact O-CG2 3.24Å; L378-V442 PolarHBondContact O-N 2.94Å; I380-V442 HydrophobicContact CD1-CG1 4.01Å; I380-V442 HydrophobicContact CD1-CG2 3.96Å; I380-V442 HydrophobicContact CG1-CG1 4.28Å; I380-V442 HydrophobicContact CG1-CG2 3.86Å; I403-V442 HydrophobicContact CG2-CG1 4.22Å; M405-V442 HydrophobicContact SD-CB 4.35Å; I410-V442 HydrophobicContact CD1-CG1 3.59Å; P440-V442 HydrophobicContact CB-CG1 4.42Å; P440-V442 HydrophobicContact CG-CG1 4.28Å; V442-V446 HydrophobicContact CB-CG2 3.76Å; V442-V446 HydrophobicContact CG1-CG1 4.34Å; V442-V446 HydrophobicContact CG1-CG2 4.33Å; V442-V446 HydrophobicContact CG2-CG2 4.17Å; V442-T471 HydrophobicContact CB-CG2 4.37Å; V442-T471 HydrophobicContact CG2-CG2 3.85Å
443	E	97	Very high	97.3	Very high	94 Å²	94	34.8 Å²	34.8	44%	0.439	20%	0.197	S	C	.	.			trans	-149.8	137.3	-179	-171.9	177.7	153.3	0	0	110.3	S375 M405	S375-E443 WeakPolarHBondContact CB-OE1 3.43Å; S375-E443 WeakPolarHBondContact OG-CG 3.42Å; S375-E443 PolarHBondContact OG-OE1 2.9Å; M405-E443 PolarHBondContact SD-N 3.31Å; M405-E443 VanDerWaalsContact SD-N 3.4Å
444	G	97.4	Very high	97.1	Very high	18 Å²	18	35.2 Å²	35.2	19%	0.186	20%	0.204	C	C	.	.	S	Bend	trans	75.7	-139.1	-179.9	0	0	0	0	0	112.7	N470 T471	G444-N470 VanDerWaalsContact C-ND2 3.3Å; G444-N470 CarbonylContact O-C 3.57Å; G444-N470 VanDerWaalsContact O-CA 3.24Å; G444-N470 WeakPolarHBondContact O-CA 3.24Å; G444-T471 PolarHBondContact N-OG1 2.9Å; G444-T471 PolarHBondContact O-N 3.23Å
445	D	98.4	Very high	96.7	Very high	24 Å²	24	38.5 Å²	38.5	13%	0.128	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	116.3	-174.3	-59.6	-47.3	0	0	0	111.7	T275 L276 Y357 W468 N470	T275-D445 WeakPolarHBondContact CA-OD2 3.47Å; T275-D445 WeakPolarHBondContact CB-OD2 3.1Å; L276-D445 PolarHBondContact N-OD2 2.92Å; Y357-D445 WeakPolarHBondContact CE1-OD1 3.31Å; Y357-D445 WeakPolarHBondContact OH-CB 3.45Å; Y357-D445 PolarHBondContact OH-OD1 3.23Å; D445-W468 HydrophobicContact CB-CZ3 4.43Å; D445-N470 PolarHBondContact N-ND2 3.47Å; D445-N470 PolarHBondContact OD1-ND2 3.33Å
446	V	98.6	Very high	96.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	133.2	-173.8	-176.1	0	0	0	0	110.3	I403 V442 V448 W468 F469 T471	I403-V446 HydrophobicContact CG2-CG1 3.74Å; V442-V446 HydrophobicContact CB-CG2 3.76Å; V442-V446 HydrophobicContact CG1-CG1 4.34Å; V442-V446 HydrophobicContact CG1-CG2 4.33Å; V442-V446 HydrophobicContact CG2-CG2 4.17Å; V446-V448 HydrophobicContact CG1-CG2 4.43Å; V446-W468 WeakPolarHBondContact O-CA 3.43Å; V446-F469 HydrophobicContact CB-CD1 4.15Å; V446-F469 HydrophobicContact CB-CE1 3.64Å; V446-F469 HydrophobicContact CB-CE2 4.16Å; V446-F469 HydrophobicContact CB-CZ 3.64Å; V446-F469 HydrophobicContact CG1-CD1 4.48Å; V446-F469 HydrophobicContact CG1-CE1 3.61Å; V446-F469 HydrophobicContact CG1-CZ 3.74Å; V446-F469 HydrophobicContact CG2-CE2 4.3Å; V446-F469 HydrophobicContact CG2-CZ 4.07Å; V446-F469 PolarHBondContact N-O 2.98Å; V446-F469 PolarHBondContact O-N 3Å; V446-T471 HydrophobicContact CG2-CG2 4.03Å
447	K	98.8	Very high	96.4	Very high	10 Å²	10	40.1 Å²	40.1	4%	0.043	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	135.4	172.4	-172.8	-173.4	-171.1	168.9	0	110.5	N272 I403 I404 M449 E461 Y466 F467 W468	N272-K447 WeakPolarHBondContact OD1-CE 3.45Å; N272-K447 PolarHBondContact OD1-NZ 2.97Å; I403-K447 WeakPolarHBondContact CA-O 3.11Å; I404-K447 HydrophobicContact CB-CB 4.23Å; I404-K447 HydrophobicContact CD1-CD 4.36Å; I404-K447 PolarHBondContact N-O 3.43Å; I404-K447 PolarHBondContact O-N 3.12Å; K447-M449 HydrophobicContact CD-CG 4.03Å; K447-M449 HydrophobicContact CD-SD 3.97Å; K447-M449 WeakPolarHBondContact CE-SD 3.42Å; K447-M449 HydrophobicContact CG-CG 4.1Å; K447-E461 IonicContact NZ-OE2 2.7Å; K447-E461 PolarHBondContact NZ-OE2 3.39Å; K447-Y466 HydrophobicContact CG-CD2 4.39Å; K447-F467 WeakPolarHBondContact CA-O 3.33Å; K447-W468 HydrophobicContact CB-CD2 3.63Å; K447-W468 HydrophobicContact CB-CE3 3.77Å; K447-W468 HydrophobicContact CB-CG 4.3Å; K447-W468 HydrophobicContact CB-CH2 3.88Å; K447-W468 HydrophobicContact CB-CZ2 3.76Å; K447-W468 HydrophobicContact CB-CZ3 3.89Å; K447-W468 HydrophobicContact CD-CD2 4.44Å; K447-W468 HydrophobicContact CD-CH2 4.33Å; K447-W468 HydrophobicContact CD-CZ2 3.55Å; K447-W468 HydrophobicContact CG-CD2 3.97Å; K447-W468 HydrophobicContact CG-CG 4.3Å; K447-W468 HydrophobicContact CG-CZ2 3.97Å
448	V	98.8	Very high	96.5	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.4	174.7	-170.3	0	0	0	0	108.9	V401 K402 I403 V446 F450 Y466 F467 F469 M506	V401-V448 HydrophobicContact CG1-CG1 3.71Å; K402-V448 WeakPolarHBondContact O-CA 3.38Å; I403-V448 HydrophobicContact CG1-CG1 4.43Å; V446-V448 HydrophobicContact CG1-CG2 4.43Å; V448-F450 HydrophobicContact CB-CE2 4.35Å; V448-F450 HydrophobicContact CG1-CD2 4.39Å; V448-F450 HydrophobicContact CG1-CE2 3.56Å; V448-F450 HydrophobicContact CG1-CZ 3.91Å; V448-Y466 CarbonylContact O-C 3.56Å; V448-Y466 WeakPolarHBondContact O-CA 3.45Å; V448-Y466 WeakPolarHBondContact O-CB 3.25Å; V448-F467 HydrophobicContact CB-CD2 4.43Å; V448-F467 HydrophobicContact CB-CE1 4.19Å; V448-F467 HydrophobicContact CB-CE2 3.93Å; V448-F467 HydrophobicContact CB-CZ 3.81Å; V448-F467 HydrophobicContact CG1-CE1 4.47Å; V448-F467 HydrophobicContact CG1-CZ 4.18Å; V448-F467 HydrophobicContact CG2-CE2 3.85Å; V448-F467 HydrophobicContact CG2-CZ 4.06Å; V448-F467 PolarHBondContact N-O 2.96Å; V448-F467 PolarHBondContact O-N 2.89Å; V448-F469 HydrophobicContact CG2-CD1 4.43Å; V448-F469 HydrophobicContact CG2-CE1 3.81Å; V448-M506 HydrophobicContact CG2-CE 3.93Å; V448-M506 HydrophobicContact CG2-SD 3.97Å
449	M	98.6	Very high	96.6	Very high	13 Å²	13	36.2 Å²	36.2	6%	0.064	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140	-178.2	-61	177.7	63.3	0	0	111	V401 K402 I404 K447 E461 V463	V401-M449 WeakPolarHBondContact CA-O 3.38Å; K402-M449 HydrophobicContact CB-CB 4.37Å; K402-M449 PolarHBondContact N-O 3.31Å; K402-M449 PolarHBondContact O-N 3.39Å; I404-M449 HydrophobicContact CD1-SD 3.65Å; K447-M449 HydrophobicContact CD-CG 4.03Å; K447-M449 HydrophobicContact CD-SD 3.97Å; K447-M449 WeakPolarHBondContact CE-SD 3.42Å; K447-M449 HydrophobicContact CG-CG 4.1Å; M449-E461 HydrophobicContact CE-CB 3.7Å; M449-V463 HydrophobicContact CE-CB 4.33Å; M449-V463 HydrophobicContact CE-CG1 3.49Å; M449-V463 VanDerWaalsContact CE-CG1 3.49Å; M449-V463 HydrophobicContact CE-CG2 3.87Å
450	F	98.5	Very high	96.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	110.3	179.7	-65.1	-102.7	0	0	0	109.8	I383 I385 K400 V401 V448 P464 F465 F467 V504	I383-F450 HydrophobicContact CD1-CZ 4.25Å; I383-F450 HydrophobicContact CG2-CE1 4.1Å; I383-F450 HydrophobicContact CG2-CZ 3.92Å; I385-F450 HydrophobicContact CD1-CD1 4.46Å; I385-F450 HydrophobicContact CD1-CE1 4.25Å; K400-F450 WeakPolarHBondContact O-CA 3.41Å; V401-F450 HydrophobicContact CG1-CE1 4.39Å; V401-F450 HydrophobicContact CG1-CZ 4.43Å; V401-F450 HydrophobicContact CG2-CD1 3.83Å; V401-F450 HydrophobicContact CG2-CE1 3.73Å; V448-F450 HydrophobicContact CB-CE2 4.35Å; V448-F450 HydrophobicContact CG1-CD2 4.39Å; V448-F450 HydrophobicContact CG1-CE2 3.56Å; V448-F450 HydrophobicContact CG1-CZ 3.91Å; F450-P464 WeakPolarHBondContact O-CD 3.28Å; F450-F465 HydrophobicContact CB-CD1 4.12Å; F450-F465 HydrophobicContact CB-CD2 4.08Å; F450-F465 HydrophobicContact CB-CE1 3.77Å; F450-F465 HydrophobicContact CB-CE2 3.75Å; F450-F465 HydrophobicContact CB-CG 4.25Å; F450-F465 HydrophobicContact CB-CZ 3.58Å; F450-F465 AromaticContact CD1-CE2 3.76Å; F450-F465 HydrophobicContact CD1-CE2 3.76Å; F450-F465 AromaticContact CD1-CZ 3.62Å; F450-F465 HydrophobicContact CD1-CZ 3.62Å; F450-F465 AromaticContact CD2-CD2 3.57Å; F450-F465 HydrophobicContact CD2-CD2 3.57Å; F450-F465 AromaticContact CD2-CE2 3.21Å; F450-F465 HydrophobicContact CD2-CE2 3.21Å; F450-F465 HydrophobicContact CD2-CG 4.48Å; F450-F465 AromaticContact CD2-CZ 3.88Å; F450-F465 HydrophobicContact CD2-CZ 3.88Å; F450-F465 HydrophobicContact CE1-CE2 4.15Å; F450-F465 HydrophobicContact CE1-CZ 4.25Å; F450-F465 HydrophobicContact CE2-CD2 4.22Å; F450-F465 AromaticContact CE2-CE2 3.67Å; F450-F465 HydrophobicContact CE2-CE2 3.67Å; F450-F465 HydrophobicContact CE2-CZ 4.5Å; F450-F465 AromaticContact CG-CD2 3.91Å; F450-F465 HydrophobicContact CG-CD2 3.91Å; F450-F465 HydrophobicContact CG-CE1 4.13Å; F450-F465 AromaticContact CG-CE2 3.27Å; F450-F465 HydrophobicContact CG-CE2 3.27Å; F450-F465 AromaticContact CG-CZ 3.4Å; F450-F465 HydrophobicContact CG-CZ 3.4Å; F450-F465 VanDerWaalsContact CG-CZ 3.4Å; F450-F465 HydrophobicContact CZ-CE2 4.11Å; F450-F465 PolarHBondContact N-O 2.99Å; F450-F467 HydrophobicContact CE2-CD1 4.3Å; F450-F467 AromaticContact CE2-CE1 3.57Å; F450-F467 HydrophobicContact CE2-CE1 3.57Å; F450-F467 HydrophobicContact CE2-CZ 4.31Å; F450-F467 HydrophobicContact CZ-CE1 4.21Å; F450-V504 HydrophobicContact CZ-CG1 4.38Å
451	E	97.9	Very high	96.6	Very high	47 Å²	47	41.2 Å²	41.2	22%	0.22	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	159.2	167.8	-71.2	175.5	170.2	0	0	110	L399 K400 K402 V463	L399-E451 CarbonylContact C-O 3.6Å; L399-E451 WeakPolarHBondContact CA-O 3.39Å; K400-E451 HydrophobicContact CB-CB 4.04Å; K400-E451 VanDerWaalsContact CD-OE2 3.23Å; K400-E451 WeakPolarHBondContact CD-OE2 3.41Å; K400-E451 VanDerWaalsContact CE-OE2 3.29Å; K400-E451 WeakPolarHBondContact CE-OE2 3.45Å; K400-E451 HydrophobicContact CG-CB 4.39Å; K400-E451 PolarHBondContact N-O 2.73Å; K400-E451 IonicContact NZ-OE2 3.43Å; K400-E451 PolarHBondContact NZ-OE2 3.4Å; K400-E451 PolarHBondContact O-N 2.93Å; K402-E451 WeakPolarHBondContact CE-OE1 3.33Å; K402-E451 WeakPolarHBondContact CE-OE2 3.47Å; K402-E451 IonicContact NZ-OE1 2.65Å; K402-E451 PolarHBondContact NZ-OE1 3.39Å; K402-E451 IonicContact NZ-OE2 2.68Å; K402-E451 PolarHBondContact NZ-OE2 3.49Å; E451-V463 HydrophobicContact CG-CG1 3.73Å
452	S	97	Very high	96.5	Very high	25 Å²	25	42.6 Å²	42.6	18%	0.175	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	137.1	177.1	165.6	0	0	0	0	110.9	D398 A454	D398-S452 CarbonylContact O-C 3.58Å; D398-S452 WeakPolarHBondContact O-CA 3.44Å; D398-S452 WeakPolarHBondContact OD2-CB 3.22Å; D398-S452 PolarHBondContact OD2-OG 2.88Å; S452-A454 VanDerWaalsContact C-N 3.33Å; S452-A454 PolarHBondContact OG-N 3.13Å
453	S	96.2	Very high	96.5	Very high	82 Å²	82	42.6 Å²	42.6	57%	0.573	26%	0.258	S	S	*	.	S	Bend	trans	-84.8	-6.1	172.5	74	0	0	0	0	113.4	D398 G455	D398-S453 PolarHBondContact O-N 2.96Å; S453-G455 VanDerWaalsContact C-N 3.31Å; S453-G455 PolarHBondContact O-N 3.13Å
454	A	94.1	Very high	96.6	Very high	46 Å²	46	38.2 Å²	38.2	38%	0.38	24%	0.238	S	C	.	.	S	Bend	trans	-90.8	13.4	-177	0	0	0	0	0	113.6	K393 D398 S452 L456	K393-A454 HydrophobicContact CG-CB 4.24Å; D398-A454 HydrophobicContact CB-CB 3.79Å; D398-A454 WeakPolarHBondContact OD2-CB 3.31Å; S452-A454 VanDerWaalsContact C-N 3.33Å; S452-A454 PolarHBondContact OG-N 3.13Å; A454-L456 VanDerWaalsContact C-N 3.35Å; A454-L456 PolarHBondContact O-N 2.68Å
455	G	90.7	Very high	96.6	Very high	68 Å²	68	37.4 Å²	37.4	70%	0.701	23%	0.229	S	C	*	.			trans	71	27	176.5	0	0	0	0	0	114.3	S453	S453-G455 VanDerWaalsContact C-N 3.31Å; S453-G455 PolarHBondContact O-N 3.13Å
456	L	95.2	Very high	96.7	Very high	18 Å²	18	36.3 Å²	36.3	9%	0.094	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-56.2	139	173.6	-80.4	179.4	0	0	0	111.3	V391 A454 K458 P464 I497	V391-L456 HydrophobicContact CG1-CD1 3.84Å; A454-L456 VanDerWaalsContact C-N 3.35Å; A454-L456 PolarHBondContact O-N 2.68Å; L456-K458 PolarHBondContact O-N 3.22Å; L456-P464 HydrophobicContact CB-CB 4.11Å; L456-P464 HydrophobicContact CB-CG 3.73Å; L456-P464 HydrophobicContact CD1-CB 4.24Å; L456-P464 HydrophobicContact CD1-CG 4.3Å; L456-I497 HydrophobicContact CD2-CG2 4.03Å
457	P	94.9	Very high	96.7	Very high	74 Å²	74	36.3 Å²	36.3	48%	0.481	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-57.5	128.6	178.5	-25.5	34.9	0	0	0	111.7	I497	P457-I497 HydrophobicContact CG-CD1 3.61Å
458	K	96	Very high	96.7	Very high	117 Å²	117	37.3 Å²	37.3	51%	0.509	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-88.7	139	179.1	-65.6	174.2	161.5	-159.6	0	110.9	L456 D462	L456-K458 PolarHBondContact O-N 3.22Å; K458-D462 WeakPolarHBondContact CD-O 3.18Å; K458-D462 WeakPolarHBondContact CD-OD1 3.32Å; K458-D462 WeakPolarHBondContact CE-O 3.28Å; K458-D462 PolarHBondContact NZ-O 3.33Å; K458-D462 IonicContact NZ-OD1 2.76Å; K458-D462 IonicContact NZ-OD2 3.43Å; K458-D462 PolarHBondContact NZ-OD2 3Å
459	G	94.8	Very high	96.7	Very high	33 Å²	33	37.3 Å²	37.3	34%	0.34	23%	0.227	S	C	.	.			trans	-108.1	-134.8	176.5	0	0	0	0	0	112.3	V463	G459-V463 PolarHBondContact N-O 3.45Å
460	Y	95.1	Very high	96.7	Very high	51 Å²	51	37.1 Å²	37.1	20%	0.2	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-61.7	153.9	168.5	-57	-38	0	0	0	110.2	H271 T351 D462 N488 K491	H271-Y460 HydrophobicContact CB-CD1 4.38Å; H271-Y460 HydrophobicContact CB-CD2 3.89Å; H271-Y460 HydrophobicContact CB-CE2 4.43Å; H271-Y460 HydrophobicContact CB-CG 3.84Å; H271-Y460 AromaticContact CD2-CD1 3.47Å; H271-Y460 VanDerWaalsContact CD2-CD1 3.47Å; H271-Y460 WeakPolarHBondContact CD2-CD1 3.18Å; H271-Y460 AromaticContact CD2-CD2 3.83Å; H271-Y460 AromaticContact CD2-CE1 3.31Å; H271-Y460 WeakPolarHBondContact CD2-CE1 3.48Å; H271-Y460 AromaticContact CD2-CE2 3.63Å; H271-Y460 AromaticContact CD2-CG 3.74Å; H271-Y460 AromaticContact CD2-CZ 3.36Å; H271-Y460 AromaticContact CE1-CD1 3.78Å; H271-Y460 AromaticContact CE1-CE1 3.93Å; H271-Y460 AromaticContact CG-CD1 3.63Å; H271-Y460 AromaticContact CG-CD2 3.9Å; H271-Y460 AromaticContact CG-CE1 3.97Å; H271-Y460 AromaticContact CG-CG 3.59Å; H271-Y460 AromaticContact ND1-CD1 3.82Å; H271-Y460 AromaticContact NE2-CD1 3.56Å; H271-Y460 AromaticContact NE2-CE1 3.27Å; H271-Y460 VanDerWaalsContact NE2-CE1 3.27Å; H271-Y460 WeakPolarHBondContact NE2-CE1 2.95Å; H271-Y460 AromaticContact NE2-CZ 3.73Å; T351-Y460 HydrophobicContact CG2-CD2 3.86Å; T351-Y460 HydrophobicContact CG2-CE2 3.89Å; Y460-D462 PolarHBondContact O-N 2.94Å; Y460-N488 PolarHBondContact N-ND2 2.91Å; Y460-N488 PolarHBondContact N-OD1 2.8Å; Y460-N488 PolarHBondContact O-ND2 3.4Å; Y460-N488 VanDerWaalsContact O-ND2 3.07Å; Y460-K491 PolarHBondContact OH-NZ 3.49Å
461	E	95.3	Very high	96.6	Very high	69 Å²	69	37.1 Å²	37.1	32%	0.322	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	61.6	14.6	-176.5	-60.7	-67.4	117.4	0	0	115.1	N272 K447 M449 V463 Y466	N272-E461 PolarHBondContact ND2-OE1 3.36Å; K447-E461 IonicContact NZ-OE2 2.7Å; K447-E461 PolarHBondContact NZ-OE2 3.39Å; M449-E461 HydrophobicContact CE-CB 3.7Å; E461-V463 HydrophobicContact CB-CG2 4.03Å; E461-V463 PolarHBondContact O-N 3.03Å; E461-Y466 HydrophobicContact CB-CD1 4.18Å; E461-Y466 HydrophobicContact CB-CE1 4.04Å; E461-Y466 HydrophobicContact CG-CD1 4.2Å; E461-Y466 HydrophobicContact CG-CE1 3.73Å; E461-Y466 HydrophobicContact CG-CE2 4.1Å
462	D	96.3	Very high	96.6	Very high	104 Å²	104	35.8 Å²	35.8	56%	0.556	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	55.4	31	-178	-162.2	54.7	0	0	0	114	K458 Y460	K458-D462 WeakPolarHBondContact CD-O 3.18Å; K458-D462 WeakPolarHBondContact CD-OD1 3.32Å; K458-D462 WeakPolarHBondContact CE-O 3.28Å; K458-D462 PolarHBondContact NZ-O 3.33Å; K458-D462 IonicContact NZ-OD1 2.76Å; K458-D462 IonicContact NZ-OD2 3.43Å; K458-D462 PolarHBondContact NZ-OD2 3Å; Y460-D462 PolarHBondContact O-N 2.94Å
463	V	97.7	Very high	96.6	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	22%	0.221	C	C	.	.	S	Bend	trans	-127.6	155.4	177.6	-65.4	0	0	0	0	112	M449 E451 G459 E461 F465 Y466 N488	M449-V463 HydrophobicContact CE-CB 4.33Å; M449-V463 HydrophobicContact CE-CG1 3.49Å; M449-V463 VanDerWaalsContact CE-CG1 3.49Å; M449-V463 HydrophobicContact CE-CG2 3.87Å; E451-V463 HydrophobicContact CG-CG1 3.73Å; G459-V463 PolarHBondContact N-O 3.45Å; E461-V463 HydrophobicContact CB-CG2 4.03Å; E461-V463 PolarHBondContact O-N 3.03Å; V463-F465 PolarHBondContact O-N 3.48Å; V463-Y466 HydrophobicContact CG2-CD1 3.9Å; V463-Y466 HydrophobicContact CG2-CG 4.47Å; V463-N488 PolarHBondContact O-ND2 2.81Å
464	P	98.1	Very high	96.7	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.019	20%	0.195	C	C	.	.	S	Bend	trans	-47.8	-54.5	168.8	-31.2	32.5	0	0	0	113.3	F450 L456 N488 Y498	F450-P464 WeakPolarHBondContact O-CD 3.28Å; L456-P464 HydrophobicContact CB-CB 4.11Å; L456-P464 HydrophobicContact CB-CG 3.73Å; L456-P464 HydrophobicContact CD1-CB 4.24Å; L456-P464 HydrophobicContact CD1-CG 4.3Å; P464-N488 WeakPolarHBondContact O-CB 3.46Å; P464-N488 PolarHBondContact O-ND2 3.03Å; P464-Y498 WeakPolarHBondContact CB-OH 3.34Å
465	F	98.5	Very high	96.7	Very high	1 Å²	1	35.1 Å²	35.1	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	159.8	177.4	63.3	-84.4	0	0	0	112.4	F450 V463 D487 P489 Y498 F502 V504	F450-F465 HydrophobicContact CB-CD1 4.12Å; F450-F465 HydrophobicContact CB-CD2 4.08Å; F450-F465 HydrophobicContact CB-CE1 3.77Å; F450-F465 HydrophobicContact CB-CE2 3.75Å; F450-F465 HydrophobicContact CB-CG 4.25Å; F450-F465 HydrophobicContact CB-CZ 3.58Å; F450-F465 AromaticContact CD1-CE2 3.76Å; F450-F465 HydrophobicContact CD1-CE2 3.76Å; F450-F465 AromaticContact CD1-CZ 3.62Å; F450-F465 HydrophobicContact CD1-CZ 3.62Å; F450-F465 AromaticContact CD2-CD2 3.57Å; F450-F465 HydrophobicContact CD2-CD2 3.57Å; F450-F465 AromaticContact CD2-CE2 3.21Å; F450-F465 HydrophobicContact CD2-CE2 3.21Å; F450-F465 HydrophobicContact CD2-CG 4.48Å; F450-F465 AromaticContact CD2-CZ 3.88Å; F450-F465 HydrophobicContact CD2-CZ 3.88Å; F450-F465 HydrophobicContact CE1-CE2 4.15Å; F450-F465 HydrophobicContact CE1-CZ 4.25Å; F450-F465 HydrophobicContact CE2-CD2 4.22Å; F450-F465 AromaticContact CE2-CE2 3.67Å; F450-F465 HydrophobicContact CE2-CE2 3.67Å; F450-F465 HydrophobicContact CE2-CZ 4.5Å; F450-F465 AromaticContact CG-CD2 3.91Å; F450-F465 HydrophobicContact CG-CD2 3.91Å; F450-F465 HydrophobicContact CG-CE1 4.13Å; F450-F465 AromaticContact CG-CE2 3.27Å; F450-F465 HydrophobicContact CG-CE2 3.27Å; F450-F465 AromaticContact CG-CZ 3.4Å; F450-F465 HydrophobicContact CG-CZ 3.4Å; F450-F465 VanDerWaalsContact CG-CZ 3.4Å; F450-F465 HydrophobicContact CZ-CE2 4.11Å; F450-F465 PolarHBondContact N-O 2.99Å; V463-F465 PolarHBondContact O-N 3.48Å; F465-D487 VanDerWaalsContact CA-O 3.29Å; F465-D487 WeakPolarHBondContact CA-O 3.49Å; F465-D487 WeakPolarHBondContact CB-O 3.45Å; F465-P489 VanDerWaalsContact CB-CD 3.42Å; F465-P489 HydrophobicContact CB-CG 3.47Å; F465-P489 VanDerWaalsContact CB-CG 3.47Å; F465-P489 HydrophobicContact CG-CG 4.09Å; F465-Y498 HydrophobicContact CD1-CE1 4.05Å; F465-Y498 HydrophobicContact CE1-CE1 4.35Å; F465-F502 HydrophobicContact CE1-CZ 4.11Å; F465-F502 HydrophobicContact CE2-CZ 4.42Å; F465-F502 HydrophobicContact CZ-CZ 4.04Å; F465-V504 HydrophobicContact CE2-CG2 3.97Å
466	Y	98.8	Very high	96.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	176.3	175.3	69.2	-77.7	0	0	0	109.8	H271 K447 V448 E461 V463 D487	H271-Y466 PolarHBondContact O-OH 3.45Å; K447-Y466 HydrophobicContact CG-CD2 4.39Å; V448-Y466 CarbonylContact O-C 3.56Å; V448-Y466 WeakPolarHBondContact O-CA 3.45Å; V448-Y466 WeakPolarHBondContact O-CB 3.25Å; E461-Y466 HydrophobicContact CB-CD1 4.18Å; E461-Y466 HydrophobicContact CB-CE1 4.04Å; E461-Y466 HydrophobicContact CG-CD1 4.2Å; E461-Y466 HydrophobicContact CG-CE1 3.73Å; E461-Y466 HydrophobicContact CG-CE2 4.1Å; V463-Y466 HydrophobicContact CG2-CD1 3.9Å; V463-Y466 HydrophobicContact CG2-CG 4.47Å; Y466-D487 HydrophobicContact CD1-CB 3.77Å; Y466-D487 HydrophobicContact CD2-CB 4.06Å; Y466-D487 WeakPolarHBondContact CD2-OD2 3.48Å; Y466-D487 HydrophobicContact CE1-CB 3.47Å; Y466-D487 VanDerWaalsContact CE1-CB 3.47Å; Y466-D487 HydrophobicContact CE2-CB 3.79Å; Y466-D487 WeakPolarHBondContact CE2-OD2 3.05Å; Y466-D487 HydrophobicContact CG-CB 4.05Å; Y466-D487 VanDerWaalsContact CZ-CB 3.47Å; Y466-D487 PolarHBondContact N-O 3.19Å; Y466-D487 WeakPolarHBondContact O-CA 3.5Å; Y466-D487 VanDerWaalsContact O-CB 3.27Å; Y466-D487 WeakPolarHBondContact O-CB 2.83Å; Y466-D487 PolarHBondContact O-N 3.41Å
467	F	98.8	Very high	97	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	162.6	168.5	54.1	-90.7	0	0	0	111	K447 V448 F450 F469 L479 L481 L486 V504 M506	K447-F467 WeakPolarHBondContact CA-O 3.33Å; V448-F467 HydrophobicContact CB-CD2 4.43Å; V448-F467 HydrophobicContact CB-CE1 4.19Å; V448-F467 HydrophobicContact CB-CE2 3.93Å; V448-F467 HydrophobicContact CB-CZ 3.81Å; V448-F467 HydrophobicContact CG1-CE1 4.47Å; V448-F467 HydrophobicContact CG1-CZ 4.18Å; V448-F467 HydrophobicContact CG2-CE2 3.85Å; V448-F467 HydrophobicContact CG2-CZ 4.06Å; V448-F467 PolarHBondContact N-O 2.96Å; V448-F467 PolarHBondContact O-N 2.89Å; F450-F467 HydrophobicContact CE2-CD1 4.3Å; F450-F467 AromaticContact CE2-CE1 3.57Å; F450-F467 HydrophobicContact CE2-CE1 3.57Å; F450-F467 HydrophobicContact CE2-CZ 4.31Å; F450-F467 HydrophobicContact CZ-CE1 4.21Å; F467-F469 HydrophobicContact CD2-CD1 4.23Å; F467-F469 HydrophobicContact CE2-CD1 4.01Å; F467-F469 HydrophobicContact CE2-CE1 4.42Å; F467-L479 HydrophobicContact CE2-CD2 4.29Å; F467-L481 HydrophobicContact CB-CD1 3.89Å; F467-L481 HydrophobicContact CD1-CD1 4.1Å; F467-L481 HydrophobicContact CD2-CD1 3.47Å; F467-L481 VanDerWaalsContact CD2-CD1 3.47Å; F467-L481 HydrophobicContact CE1-CD1 4.47Å; F467-L481 HydrophobicContact CE2-CD1 3.93Å; F467-L481 HydrophobicContact CG-CD1 3.55Å; F467-L481 HydrophobicContact CZ-CD1 4.4Å; F467-L486 HydrophobicContact CB-CD2 4.23Å; F467-L486 HydrophobicContact CD1-CD2 3.34Å; F467-L486 HydrophobicContact CE1-CD2 3.9Å; F467-L486 HydrophobicContact CG-CD2 4.04Å; F467-V504 HydrophobicContact CE1-CB 4.37Å; F467-V504 HydrophobicContact CE1-CG1 4.04Å; F467-V504 HydrophobicContact CZ-CG1 4.17Å; F467-M506 HydrophobicContact CE2-CG 4.48Å; F467-M506 HydrophobicContact CE2-SD 3.49Å; F467-M506 WeakPolarHBondContact CE2-SD 3.41Å; F467-M506 HydrophobicContact CZ-CG 4.07Å; F467-M506 HydrophobicContact CZ-SD 3.48Å; F467-M506 WeakPolarHBondContact CZ-SD 3.13Å
468	W	98.8	Very high	97.1	Very high	31 Å²	31	42.5 Å²	42.5	12%	0.117	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	144.1	170.1	-70.6	83.1	0	0	0	111.2	N272 V273 S353 R356 Y357 D445 V446 K447	N272-W468 HydrophobicContact CB-CZ2 4.34Å; N272-W468 PolarHBondContact OD1-NE1 3.39Å; V273-W468 HydrophobicContact CG2-CB 3.93Å; V273-W468 HydrophobicContact CG2-CD2 3.52Å; V273-W468 HydrophobicContact CG2-CE3 3.83Å; V273-W468 HydrophobicContact CG2-CG 3.6Å; V273-W468 HydrophobicContact CG2-CZ3 4.5Å; S353-W468 PolarHBondContact OG-N 3.31Å; R356-W468 PolarHBondContact NH1-O 3.48Å; Y357-W468 HydrophobicContact CE2-CB 3.75Å; D445-W468 HydrophobicContact CB-CZ3 4.43Å; V446-W468 WeakPolarHBondContact O-CA 3.43Å; K447-W468 HydrophobicContact CB-CD2 3.63Å; K447-W468 HydrophobicContact CB-CE3 3.77Å; K447-W468 HydrophobicContact CB-CG 4.3Å; K447-W468 HydrophobicContact CB-CH2 3.88Å; K447-W468 HydrophobicContact CB-CZ2 3.76Å; K447-W468 HydrophobicContact CB-CZ3 3.89Å; K447-W468 HydrophobicContact CD-CD2 4.44Å; K447-W468 HydrophobicContact CD-CH2 4.33Å; K447-W468 HydrophobicContact CD-CZ2 3.55Å; K447-W468 HydrophobicContact CG-CD2 3.97Å; K447-W468 HydrophobicContact CG-CG 4.3Å; K447-W468 HydrophobicContact CG-CZ2 3.97Å
469	F	98.7	Very high	97.3	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	170.3	168.7	70	-83.2	0	0	0	109.8	Y357 V446 V448 F467 T471 I474 L479 M506 F508	Y357-F469 PolarHBondContact OH-O 3.39Å; V446-F469 HydrophobicContact CB-CD1 4.15Å; V446-F469 HydrophobicContact CB-CE1 3.64Å; V446-F469 HydrophobicContact CB-CE2 4.16Å; V446-F469 HydrophobicContact CB-CZ 3.64Å; V446-F469 HydrophobicContact CG1-CD1 4.48Å; V446-F469 HydrophobicContact CG1-CE1 3.61Å; V446-F469 HydrophobicContact CG1-CZ 3.74Å; V446-F469 HydrophobicContact CG2-CE2 4.3Å; V446-F469 HydrophobicContact CG2-CZ 4.07Å; V446-F469 PolarHBondContact N-O 2.98Å; V446-F469 PolarHBondContact O-N 3Å; V448-F469 HydrophobicContact CG2-CD1 4.43Å; V448-F469 HydrophobicContact CG2-CE1 3.81Å; F467-F469 HydrophobicContact CD2-CD1 4.23Å; F467-F469 HydrophobicContact CE2-CD1 4.01Å; F467-F469 HydrophobicContact CE2-CE1 4.42Å; F469-T471 HydrophobicContact CE2-CG2 3.97Å; F469-I474 HydrophobicContact CD2-CD1 3.86Å; F469-I474 HydrophobicContact CD2-CG1 4.18Å; F469-I474 HydrophobicContact CE2-CD1 4.36Å; F469-I474 HydrophobicContact CE2-CG1 4.33Å; F469-L479 HydrophobicContact CB-CD2 3.7Å; F469-L479 HydrophobicContact CD1-CD2 3.99Å; F469-L479 HydrophobicContact CD2-CD2 4.21Å; F469-L479 HydrophobicContact CG-CD2 3.72Å; F469-M506 HydrophobicContact CD1-SD 4.47Å; F469-M506 HydrophobicContact CE1-CE 4.31Å; F469-M506 HydrophobicContact CE1-SD 3.91Å; F469-M506 HydrophobicContact CZ-SD 4.43Å; F469-F508 HydrophobicContact CE2-CE1 4.04Å; F469-F508 AromaticContact CE2-CZ 3.86Å; F469-F508 HydrophobicContact CE2-CZ 3.86Å; F469-F508 AromaticContact CZ-CE1 3.87Å; F469-F508 HydrophobicContact CZ-CE1 3.87Å; F469-F508 AromaticContact CZ-CZ 3.83Å; F469-F508 HydrophobicContact CZ-CZ 3.83Å
470	N	98.6	Very high	97.4	Very high	8 Å²	8	41.5 Å²	41.5	4%	0.043	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	131.8	170.2	-178.6	-70.3	0	0	0	109.5	L276 Y360 G444 D445 S472 F473	L276-N470 HydrophobicContact CD1-CB 3.99Å; L276-N470 WeakPolarHBondContact CD1-ND2 3.47Å; Y360-N470 HydrophobicContact CD2-CB 4.16Å; Y360-N470 HydrophobicContact CE2-CB 3.78Å; Y360-N470 PolarHBondContact OH-N 3Å; G444-N470 VanDerWaalsContact C-ND2 3.3Å; G444-N470 CarbonylContact O-C 3.57Å; G444-N470 VanDerWaalsContact O-CA 3.24Å; G444-N470 WeakPolarHBondContact O-CA 3.24Å; D445-N470 PolarHBondContact N-ND2 3.47Å; D445-N470 PolarHBondContact OD1-ND2 3.33Å; N470-S472 PolarHBondContact O-N 3.31Å; N470-S472 VanDerWaalsContact OD1-CB 3.32Å; N470-S472 WeakPolarHBondContact OD1-CB 3.23Å; N470-S472 PolarHBondContact OD1-N 3.05Å; N470-F473 HydrophobicContact CB-CD2 3.88Å; N470-F473 HydrophobicContact CB-CE2 4.34Å; N470-F473 PolarHBondContact O-N 3.07Å; N470-F473 VanDerWaalsContact O-N 3.16Å
471	T	98.1	Very high	97.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-62.3	-29	-172.1	60.9	0	0	0	0	113.5	R376 V442 G444 V446 F469 F473 I474	R376-T471 WeakPolarHBondContact O-CB 3.42Å; R376-T471 PolarHBondContact O-OG1 2.96Å; V442-T471 HydrophobicContact CB-CG2 4.37Å; V442-T471 HydrophobicContact CG2-CG2 3.85Å; G444-T471 PolarHBondContact N-OG1 2.9Å; G444-T471 PolarHBondContact O-N 3.23Å; V446-T471 HydrophobicContact CG2-CG2 4.03Å; F469-T471 HydrophobicContact CE2-CG2 3.97Å; T471-F473 PolarHBondContact O-N 3.45Å; T471-I474 WeakPolarHBondContact O-CB 3.36Å; T471-I474 PolarHBondContact O-N 2.88Å
472	S	97.5	Very high	97.8	Very high	19 Å²	19	37.3 Å²	37.3	13%	0.133	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-66.6	-17.9	179.7	-64.5	0	0	0	0	113.9	P374 N470	P374-S472 WeakPolarHBondContact O-CB 3.48Å; P374-S472 PolarHBondContact O-OG 3.37Å; N470-S472 PolarHBondContact O-N 3.31Å; N470-S472 VanDerWaalsContact OD1-CB 3.32Å; N470-S472 WeakPolarHBondContact OD1-CB 3.23Å; N470-S472 PolarHBondContact OD1-N 3.05Å
473	F	97.4	Very high	97.8	Very high	36 Å²	36	33.1 Å²	33.1	16%	0.158	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-98.9	1	179.4	-65.2	-92	0	0	0	113.3	L276 Y360 I363 M364 P373 N470 T471	L276-F473 HydrophobicContact CD1-CD2 4.41Å; L276-F473 HydrophobicContact CD1-CE2 3.52Å; L276-F473 HydrophobicContact CD1-CZ 4.27Å; Y360-F473 HydrophobicContact CD1-CB 4.05Å; Y360-F473 AromaticContact CD1-CD1 3.5Å; Y360-F473 HydrophobicContact CD1-CD1 3.5Å; Y360-F473 VanDerWaalsContact CD1-CD1 3.5Å; Y360-F473 AromaticContact CD1-CD2 3.79Å; Y360-F473 HydrophobicContact CD1-CD2 3.79Å; Y360-F473 AromaticContact CD1-CE1 3.79Å; Y360-F473 HydrophobicContact CD1-CE1 3.79Å; Y360-F473 HydrophobicContact CD1-CE2 4.07Å; Y360-F473 AromaticContact CD1-CG 3.48Å; Y360-F473 HydrophobicContact CD1-CG 3.48Å; Y360-F473 VanDerWaalsContact CD1-CG 3.48Å; Y360-F473 HydrophobicContact CD1-CZ 4.05Å; Y360-F473 HydrophobicContact CD2-CD2 4.19Å; Y360-F473 HydrophobicContact CD2-CE2 4.29Å; Y360-F473 HydrophobicContact CE1-CB 3.45Å; Y360-F473 VanDerWaalsContact CE1-CB 3.45Å; Y360-F473 AromaticContact CE1-CD1 3.81Å; Y360-F473 HydrophobicContact CE1-CD1 3.81Å; Y360-F473 AromaticContact CE1-CD2 3.9Å; Y360-F473 HydrophobicContact CE1-CD2 3.9Å; Y360-F473 AromaticContact CE1-CG 3.43Å; Y360-F473 HydrophobicContact CE1-CG 3.43Å; Y360-F473 VanDerWaalsContact CE1-CG 3.43Å; Y360-F473 HydrophobicContact CE2-CD2 4.29Å; Y360-F473 HydrophobicContact CG-CD1 4.26Å; Y360-F473 AromaticContact CG-CD2 3.93Å; Y360-F473 HydrophobicContact CG-CD2 3.93Å; Y360-F473 HydrophobicContact CG-CE1 4.2Å; Y360-F473 AromaticContact CG-CE2 3.88Å; Y360-F473 HydrophobicContact CG-CE2 3.88Å; Y360-F473 HydrophobicContact CG-CG 4.11Å; Y360-F473 AromaticContact CG-CZ 3.99Å; Y360-F473 HydrophobicContact CG-CZ 3.99Å; I363-F473 HydrophobicContact CB-CE1 3.85Å; I363-F473 HydrophobicContact CD1-CD1 3.96Å; I363-F473 HydrophobicContact CD1-CE1 3.88Å; I363-F473 HydrophobicContact CG1-CE1 4.49Å; I363-F473 HydrophobicContact CG2-CD1 4.48Å; I363-F473 HydrophobicContact CG2-CE1 3.72Å; M364-F473 HydrophobicContact CG-CZ 4.14Å; P373-F473 HydrophobicContact CG-CE1 4.25Å; P373-F473 HydrophobicContact CG-CE2 3.81Å; P373-F473 HydrophobicContact CG-CZ 3.56Å; N470-F473 HydrophobicContact CB-CD2 3.88Å; N470-F473 HydrophobicContact CB-CE2 4.34Å; N470-F473 PolarHBondContact O-N 3.07Å; N470-F473 VanDerWaalsContact O-N 3.16Å; T471-F473 PolarHBondContact O-N 3.45Å
474	I	97.3	Very high	97.8	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.026	18%	0.181	C	C	.	.			trans	-73	136.4	175.5	-58.6	-50.8	0	0	0	109	R376 L378 F469 T471 L479 F508	R376-I474 PolarHBondContact NH1-O 2.89Å; L378-I474 HydrophobicContact CD1-CB 3.8Å; L378-I474 HydrophobicContact CD1-CG1 4Å; L378-I474 HydrophobicContact CD1-CG2 3.92Å; F469-I474 HydrophobicContact CD2-CD1 3.86Å; F469-I474 HydrophobicContact CD2-CG1 4.18Å; F469-I474 HydrophobicContact CE2-CD1 4.36Å; F469-I474 HydrophobicContact CE2-CG1 4.33Å; T471-I474 WeakPolarHBondContact O-CB 3.36Å; T471-I474 PolarHBondContact O-N 2.88Å; I474-L479 HydrophobicContact CD1-CB 3.85Å; I474-L479 HydrophobicContact CD1-CD1 4.02Å; I474-L479 HydrophobicContact CD1-CD2 4.13Å; I474-L479 HydrophobicContact CD1-CG 4.21Å; I474-F508 HydrophobicContact CD1-CE2 4.39Å; I474-F508 HydrophobicContact CG1-CE2 4.41Å; I474-F508 HydrophobicContact CG2-CD2 3.97Å; I474-F508 HydrophobicContact CG2-CE2 4.14Å
475	T	94.3	Very high	97.8	Very high	99 Å²	99	40.5 Å²	40.5	61%	0.607	20%	0.198	S	C	*	.	B	Isolated β-bridge	trans	-121.1	149.2	174.2	55.1	0	0	0	0	109.2	N477 K478	T475-N477 PolarHBondContact O-N 2.97Å; T475-K478 PolarHBondContact O-N 3.39Å; T475-K478 VanDerWaalsContact O-N 3.11Å; T475-K478 VanDerWaalsContact O-O 3.09Å
476	E	95.1	Very high	97.8	Very high	180 Å²	180	40.5 Å²	40.5	84%	0.841	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	26.9	176.6	-55.3	177.4	-176.2	0	0	114.4	K478	E476-K478 PolarHBondContact O-N 2.93Å; E476-K478 VanDerWaalsContact O-N 3.08Å
477	N	97	Very high	97.8	Very high	38 Å²	38	40.5 Å²	40.5	20%	0.203	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	36	-177.2	-65.2	-17	0	0	0	113.1	R376 T475 F508 D510	R376-N477 PolarHBondContact NH2-OD1 3.18Å; T475-N477 PolarHBondContact O-N 2.97Å; N477-F508 HydrophobicContact CB-CB 4.17Å; N477-F508 WeakPolarHBondContact CB-O 3.31Å; N477-F508 WeakPolarHBondContact O-CD2 3.44Å; N477-F508 PolarHBondContact O-N 3.38Å; N477-D510 PolarHBondContact ND2-OD2 3.37Å
478	K	97.9	Very high	97.7	Very high	97 Å²	97	40.7 Å²	40.7	42%	0.422	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	140.2	-176.8	-172.3	-176.6	178	-170.5	0	110.8	T475 E476 T505 M506 F507	T475-K478 PolarHBondContact O-N 3.39Å; T475-K478 VanDerWaalsContact O-N 3.11Å; T475-K478 VanDerWaalsContact O-O 3.09Å; E476-K478 PolarHBondContact O-N 2.93Å; E476-K478 VanDerWaalsContact O-N 3.08Å; K478-T505 HydrophobicContact CD-CG2 4.17Å; K478-T505 VanDerWaalsContact CE-CG2 3.43Å; K478-T505 HydrophobicContact CG-CG2 3.7Å; K478-M506 WeakPolarHBondContact CA-O 3.37Å; K478-F507 HydrophobicContact CD-CE1 4.14Å; K478-F507 HydrophobicContact CG-CD1 4.3Å; K478-F507 HydrophobicContact CG-CE1 4.2Å
479	L	98.4	Very high	97.6	Very high	22 Å²	22	39.2 Å²	39.2	12%	0.115	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	121	169.1	177.6	61.7	0	0	0	108.4	F467 F469 I474 L481 T505 M506 F508	F467-L479 HydrophobicContact CE2-CD2 4.29Å; F469-L479 HydrophobicContact CB-CD2 3.7Å; F469-L479 HydrophobicContact CD1-CD2 3.99Å; F469-L479 HydrophobicContact CD2-CD2 4.21Å; F469-L479 HydrophobicContact CG-CD2 3.72Å; I474-L479 HydrophobicContact CD1-CB 3.85Å; I474-L479 HydrophobicContact CD1-CD1 4.02Å; I474-L479 HydrophobicContact CD1-CD2 4.13Å; I474-L479 HydrophobicContact CD1-CG 4.21Å; L479-L481 HydrophobicContact CD1-CD2 3.95Å; L479-L481 HydrophobicContact CD1-CG 4.3Å; L479-L481 HydrophobicContact CD2-CD1 4.29Å; L479-L481 HydrophobicContact CD2-CG 4.38Å; L479-L481 HydrophobicContact CG-CD2 4.33Å; L479-L481 HydrophobicContact CG-CG 4.13Å; L479-T505 CarbonylContact O-C 3.36Å; L479-T505 WeakPolarHBondContact O-CA 3.42Å; L479-M506 HydrophobicContact CB-CB 4.33Å; L479-M506 HydrophobicContact CD2-SD 4.49Å; L479-M506 PolarHBondContact N-O 3.26Å; L479-M506 PolarHBondContact O-N 3.28Å; L479-F508 HydrophobicContact CB-CE2 3.87Å; L479-F508 HydrophobicContact CB-CZ 4.42Å
480	F	98.4	Very high	97.5	Very high	107 Å²	107	41 Å²	41	47%	0.469	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	135.3	168.1	172.1	-110.6	0	0	0	109.3	H386 V504 T505	H386-F480 AromaticContact CD2-CE2 3.9Å; F480-V504 WeakPolarHBondContact CA-O 3.44Å; F480-T505 WeakPolarHBondContact CD2-OG1 3.45Å
481	L	98.7	Very high	97.2	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.4	174.3	-61	179.7	0	0	0	108.9	F467 L479 E485 L486 G503 V504	F467-L481 HydrophobicContact CB-CD1 3.89Å; F467-L481 HydrophobicContact CD1-CD1 4.1Å; F467-L481 HydrophobicContact CD2-CD1 3.47Å; F467-L481 VanDerWaalsContact CD2-CD1 3.47Å; F467-L481 HydrophobicContact CE1-CD1 4.47Å; F467-L481 HydrophobicContact CE2-CD1 3.93Å; F467-L481 HydrophobicContact CG-CD1 3.55Å; F467-L481 HydrophobicContact CZ-CD1 4.4Å; L479-L481 HydrophobicContact CD1-CD2 3.95Å; L479-L481 HydrophobicContact CD1-CG 4.3Å; L479-L481 HydrophobicContact CD2-CD1 4.29Å; L479-L481 HydrophobicContact CD2-CG 4.38Å; L479-L481 HydrophobicContact CG-CD2 4.33Å; L479-L481 HydrophobicContact CG-CG 4.13Å; L481-E485 WeakPolarHBondContact CA-OE2 3.46Å; L481-E485 HydrophobicContact CB-CB 4.02Å; L481-E485 HydrophobicContact CD2-CB 4.14Å; L481-L486 HydrophobicContact CB-CD2 3.99Å; L481-L486 HydrophobicContact CB-CG 4.33Å; L481-L486 HydrophobicContact CD1-CD2 4.07Å; L481-G503 CarbonylContact O-C 3.52Å; L481-G503 VanDerWaalsContact O-CA 3.23Å; L481-G503 WeakPolarHBondContact O-CA 3.35Å; L481-V504 PolarHBondContact N-O 3.23Å; L481-V504 PolarHBondContact O-N 2.9Å
482	S	98.4	Very high	97	Very high	28 Å²	28	46.5 Å²	46.5	20%	0.196	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	172.3	172.7	86.4	0	0	0	0	111.7	E484 E485 L486	S482-E484 PolarHBondContact O-N 3.08Å; S482-E484 PolarHBondContact OG-N 3.41Å; S482-E484 PolarHBondContact OG-OE2 3.43Å; S482-E485 PolarHBondContact N-OE2 3.03Å; S482-E485 WeakPolarHBondContact O-CA 3.38Å; S482-E485 WeakPolarHBondContact O-CB 3.34Å; S482-E485 PolarHBondContact O-N 3.49Å; S482-L486 WeakPolarHBondContact O-CG 3.28Å; S482-L486 PolarHBondContact O-N 2.96Å
483	R	98	Very high	96.8	Very high	16 Å²	16	53.3 Å²	53.3	6%	0.06	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-50.7	-43	173.9	179	-175.7	62.9	-175.7	-2.3	112.7	E485 L486 P489 H490 Y498 K499 F502	R483-E485 PolarHBondContact O-N 3.05Å; R483-L486 PolarHBondContact O-N 3.16Å; R483-P489 HydrophobicContact CG-CB 3.88Å; R483-P489 CarbonylContact O-C 3.56Å; R483-H490 PolarHBondContact O-N 2.7Å; R483-Y498 WeakPolarHBondContact CD-O 3.45Å; R483-Y498 PolarHBondContact NH1-O 3.13Å; R483-Y498 VanDerWaalsContact NH1-O 3.13Å; R483-K499 WeakPolarHBondContact CD-O 3.3Å; R483-F502 WeakPolarHBondContact CA-O 3.33Å; R483-F502 HydrophobicContact CB-CB 4.37Å; R483-F502 HydrophobicContact CB-CD1 4.4Å; R483-F502 WeakPolarHBondContact CB-O 3.48Å; R483-F502 PolarHBondContact N-O 3.29Å
484	E	96.7	Very high	96.7	Very high	80 Å²	80	52.4 Å²	52.4	37%	0.374	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-69.9	-18.7	-178.8	-62.5	68.7	-147.5	0	0	112.1	P352 S482	P352-E484 WeakPolarHBondContact CB-O 3.24Å; P352-E484 WeakPolarHBondContact CG-O 3.27Å; S482-E484 PolarHBondContact O-N 3.08Å; S482-E484 PolarHBondContact OG-N 3.41Å; S482-E484 PolarHBondContact OG-OE2 3.43Å
485	E	97.7	Very high	96.6	Very high	80 Å²	80	57.2 Å²	57.2	37%	0.374	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-96	0.2	178.7	-63.7	-172.2	101.5	0	0	113.6	P352 R356 L481 S482 R483	P352-E485 WeakPolarHBondContact CB-O 3.39Å; R356-E485 PolarHBondContact NH2-O 3.37Å; L481-E485 WeakPolarHBondContact CA-OE2 3.46Å; L481-E485 HydrophobicContact CB-CB 4.02Å; L481-E485 HydrophobicContact CD2-CB 4.14Å; S482-E485 PolarHBondContact N-OE2 3.03Å; S482-E485 WeakPolarHBondContact O-CA 3.38Å; S482-E485 WeakPolarHBondContact O-CB 3.34Å; S482-E485 PolarHBondContact O-N 3.49Å; R483-E485 PolarHBondContact O-N 3.05Å
486	L	98.5	Very high	96.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.279	C	S	.	.	S	Bend	trans	-102	137.3	179.2	-64.7	167.9	0	0	0	111.5	F467 L481 S482 R483 N488 P489 H490 F502 V504	F467-L486 HydrophobicContact CB-CD2 4.23Å; F467-L486 HydrophobicContact CD1-CD2 3.34Å; F467-L486 HydrophobicContact CE1-CD2 3.9Å; F467-L486 HydrophobicContact CG-CD2 4.04Å; L481-L486 HydrophobicContact CB-CD2 3.99Å; L481-L486 HydrophobicContact CB-CG 4.33Å; L481-L486 HydrophobicContact CD1-CD2 4.07Å; S482-L486 WeakPolarHBondContact O-CG 3.28Å; S482-L486 PolarHBondContact O-N 2.96Å; R483-L486 PolarHBondContact O-N 3.16Å; L486-N488 PolarHBondContact O-N 3.48Å; L486-P489 HydrophobicContact CB-CB 4.08Å; L486-P489 HydrophobicContact CB-CG 3.78Å; L486-P489 HydrophobicContact CD1-CG 4.48Å; L486-P489 WeakPolarHBondContact O-CD 3.45Å; L486-H490 PolarHBondContact O-N 3.23Å; L486-H490 PolarHBondContact O-ND1 3.04Å; L486-F502 HydrophobicContact CD1-CD1 3.98Å; L486-F502 HydrophobicContact CD1-CE1 3.57Å; L486-V504 HydrophobicContact CD1-CG2 3.89Å; L486-V504 HydrophobicContact CD2-CB 4.33Å; L486-V504 HydrophobicContact CD2-CG2 4.17Å
487	D	98.4	Very high	96.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-75.5	123.9	178.8	-55.6	-36.1	0	0	0	109.9	T351 P352 S353 F465 Y466 P489	T351-D487 WeakPolarHBondContact CB-OD1 3.29Å; P352-D487 WeakPolarHBondContact CD-OD1 3.36Å; S353-D487 WeakPolarHBondContact CB-OD2 3.43Å; S353-D487 PolarHBondContact N-OD1 2.99Å; S353-D487 VanDerWaalsContact OG-CG 3.25Å; S353-D487 PolarHBondContact OG-OD1 3.31Å; S353-D487 PolarHBondContact OG-OD2 2.88Å; F465-D487 VanDerWaalsContact CA-O 3.29Å; F465-D487 WeakPolarHBondContact CA-O 3.49Å; F465-D487 WeakPolarHBondContact CB-O 3.45Å; Y466-D487 HydrophobicContact CD1-CB 3.77Å; Y466-D487 HydrophobicContact CD2-CB 4.06Å; Y466-D487 WeakPolarHBondContact CD2-OD2 3.48Å; Y466-D487 HydrophobicContact CE1-CB 3.47Å; Y466-D487 VanDerWaalsContact CE1-CB 3.47Å; Y466-D487 HydrophobicContact CE2-CB 3.79Å; Y466-D487 WeakPolarHBondContact CE2-OD2 3.05Å; Y466-D487 HydrophobicContact CG-CB 4.05Å; Y466-D487 VanDerWaalsContact CZ-CB 3.47Å; Y466-D487 PolarHBondContact N-O 3.19Å; Y466-D487 WeakPolarHBondContact O-CA 3.5Å; Y466-D487 VanDerWaalsContact O-CB 3.27Å; Y466-D487 WeakPolarHBondContact O-CB 2.83Å; Y466-D487 PolarHBondContact O-N 3.41Å; D487-P489 WeakPolarHBondContact O-CD 3.46Å
488	N	97.6	Very high	96.7	Very high	5 Å²	5	49 Å²	49	3%	0.027	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.6	-53.5	-167	-54.9	-35.9	0	0	0	115.5	Y460 V463 P464 L486 H490 K491 T494	Y460-N488 PolarHBondContact N-ND2 2.91Å; Y460-N488 PolarHBondContact N-OD1 2.8Å; Y460-N488 PolarHBondContact O-ND2 3.4Å; Y460-N488 VanDerWaalsContact O-ND2 3.07Å; V463-N488 PolarHBondContact O-ND2 2.81Å; P464-N488 WeakPolarHBondContact O-CB 3.46Å; P464-N488 PolarHBondContact O-ND2 3.03Å; L486-N488 PolarHBondContact O-N 3.48Å; N488-H490 VanDerWaalsContact C-N 3.26Å; N488-H490 PolarHBondContact N-CE1 3.34Å; N488-H490 PolarHBondContact N-ND1 3.21Å; N488-H490 VanDerWaalsContact N-ND1 3.14Å; N488-H490 PolarHBondContact O-N 3.43Å; N488-K491 PolarHBondContact O-N 2.8Å; N488-T494 PolarHBondContact O-OG1 3.01Å
489	P	97.8	Very high	96.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-26.4	178.5	-27.2	36.7	0	0	0	115	F465 R483 L486 D487 K491 T494 W495 Y498 F502	F465-P489 VanDerWaalsContact CB-CD 3.42Å; F465-P489 HydrophobicContact CB-CG 3.47Å; F465-P489 VanDerWaalsContact CB-CG 3.47Å; F465-P489 HydrophobicContact CG-CG 4.09Å; R483-P489 HydrophobicContact CG-CB 3.88Å; R483-P489 CarbonylContact O-C 3.56Å; L486-P489 HydrophobicContact CB-CB 4.08Å; L486-P489 HydrophobicContact CB-CG 3.78Å; L486-P489 HydrophobicContact CD1-CG 4.48Å; L486-P489 WeakPolarHBondContact O-CD 3.45Å; D487-P489 WeakPolarHBondContact O-CD 3.46Å; P489-K491 PolarHBondContact O-N 2.91Å; P489-T494 PolarHBondContact O-OG1 3.3Å; P489-W495 PolarHBondContact O-NE1 3.01Å; P489-W495 VanDerWaalsContact O-NE1 3.12Å; P489-Y498 HydrophobicContact CB-CD2 3.84Å; P489-Y498 HydrophobicContact CB-CE2 4.36Å; P489-Y498 HydrophobicContact CB-CG 3.96Å; P489-Y498 HydrophobicContact CG-CD1 4.46Å; P489-Y498 HydrophobicContact CG-CD2 4.06Å; P489-Y498 HydrophobicContact CG-CE1 4.49Å; P489-Y498 HydrophobicContact CG-CE2 4.1Å; P489-Y498 HydrophobicContact CG-CG 4.25Å; P489-F502 HydrophobicContact CB-CD1 4.49Å; P489-F502 HydrophobicContact CB-CE1 4.41Å; P489-F502 HydrophobicContact CG-CE1 4.19Å
490	H	95.3	Very high	96.5	Very high	39 Å²	39	55.5 Å²	55.5	18%	0.181	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-15.9	174.3	66.5	-89.9	0	0	0	114.2	E350 P352 R483 L486 N488	E350-H490 PolarHBondContact O-NE2 3Å; P352-H490 VanDerWaalsContact CD-CE1 3.45Å; P352-H490 WeakPolarHBondContact CD-CE1 3.46Å; P352-H490 WeakPolarHBondContact CD-ND1 3.19Å; P352-H490 HydrophobicContact CG-CB 3.62Å; R483-H490 PolarHBondContact O-N 2.7Å; L486-H490 PolarHBondContact O-N 3.23Å; L486-H490 PolarHBondContact O-ND1 3.04Å; N488-H490 VanDerWaalsContact C-N 3.26Å; N488-H490 PolarHBondContact N-CE1 3.34Å; N488-H490 PolarHBondContact N-ND1 3.21Å; N488-H490 VanDerWaalsContact N-ND1 3.14Å; N488-H490 PolarHBondContact O-N 3.43Å
491	K	93.6	Very high	96.4	Very high	36 Å²	36	55.3 Å²	55.3	16%	0.157	27%	0.27	C	S	.	.	S	Bend	trans	-83.3	124.8	-178.6	-60.5	-179.7	-174.9	163.1	0	110.2	Y460 N488 P489 K493 T494	Y460-K491 PolarHBondContact OH-NZ 3.49Å; N488-K491 PolarHBondContact O-N 2.8Å; P489-K491 PolarHBondContact O-N 2.91Å; K491-K493 HydrophobicContact CB-CG 4.1Å; K491-K493 PolarHBondContact O-N 3.3Å; K491-T494 PolarHBondContact O-N 3.43Å; K491-T494 PolarHBondContact O-OG1 3.05Å
492	S	93	Very high	96.4	Very high	87 Å²	87	55.2 Å²	55.2	61%	0.608	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-52.1	-31.3	-179.6	58.6	0	0	0	0	115.2	T494 W495	S492-T494 PolarHBondContact O-N 3.5Å; S492-T494 VanDerWaalsContact O-N 3.09Å; S492-W495 WeakPolarHBondContact O-CB 3.36Å; S492-W495 PolarHBondContact O-N 3.26Å; S492-W495 VanDerWaalsContact O-N 3.14Å
493	K	92.4	Very high	96.4	Very high	161 Å²	161	53.9 Å²	53.9	70%	0.7	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-61.7	-14.7	175.7	71.3	178.2	-175.2	169.7	0	115	K491	K491-K493 HydrophobicContact CB-CG 4.1Å; K491-K493 PolarHBondContact O-N 3.3Å
494	T	95.3	Very high	96.4	Very high	18 Å²	18	53.2 Å²	53.2	11%	0.11	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-104.6	-0.1	179.2	62	0	0	0	0	113.1	N488 P489 K491 S492 N496 I497 Y498	N488-T494 PolarHBondContact O-OG1 3.01Å; P489-T494 PolarHBondContact O-OG1 3.3Å; K491-T494 PolarHBondContact O-N 3.43Å; K491-T494 PolarHBondContact O-OG1 3.05Å; S492-T494 PolarHBondContact O-N 3.5Å; S492-T494 VanDerWaalsContact O-N 3.09Å; T494-N496 PolarHBondContact O-N 2.9Å; T494-I497 PolarHBondContact O-N 2.84Å; T494-Y498 HydrophobicContact CG2-CE2 4.5Å; T494-Y498 PolarHBondContact O-N 3.01Å
495	W	96.1	Very high	96.5	Very high	105 Å²	105	49.6 Å²	49.6	40%	0.398	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-11	-174	-65.6	-4.8	0	0	0	114.4	P489 S492 Y498	P489-W495 PolarHBondContact O-NE1 3.01Å; P489-W495 VanDerWaalsContact O-NE1 3.12Å; S492-W495 WeakPolarHBondContact O-CB 3.36Å; S492-W495 PolarHBondContact O-N 3.26Å; S492-W495 VanDerWaalsContact O-N 3.14Å; W495-Y498 WeakPolarHBondContact CA-O 3.3Å
496	N	95.2	Very high	96.5	Very high	112 Å²	112	45.9 Å²	45.9	60%	0.599	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-28.8	166.2	63.6	-33.9	0	0	0	112.1	T494 K499	T494-N496 PolarHBondContact O-N 2.9Å; N496-K499 PolarHBondContact O-NZ 3.36Å
497	I	96.5	Very high	96.5	Very high	29 Å²	29	49.3 Å²	49.3	15%	0.149	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-59.6	177	-60.5	171.2	0	0	0	109.7	V391 L456 P457 T494 K499	V391-I497 HydrophobicContact CG2-CG2 4.23Å; L456-I497 HydrophobicContact CD2-CG2 4.03Å; P457-I497 HydrophobicContact CG-CD1 3.61Å; T494-I497 PolarHBondContact O-N 2.84Å; I497-K499 PolarHBondContact O-N 3.28Å
498	Y	97.3	Very high	96.5	Very high	4 Å²	4	50 Å²	50	2%	0.016	24%	0.242	C	C	.	.	S	Bend	trans	-88.1	101.5	-178.9	-50.7	-69.4	0	0	0	110.2	V391 P464 F465 R483 P489 T494 W495 F502	V391-Y498 HydrophobicContact CG1-CD1 4.29Å; V391-Y498 HydrophobicContact CG1-CE1 3.83Å; V391-Y498 HydrophobicContact CG2-CD1 4.13Å; V391-Y498 HydrophobicContact CG2-CE1 4.48Å; P464-Y498 WeakPolarHBondContact CB-OH 3.34Å; F465-Y498 HydrophobicContact CD1-CE1 4.05Å; F465-Y498 HydrophobicContact CE1-CE1 4.35Å; R483-Y498 WeakPolarHBondContact CD-O 3.45Å; R483-Y498 PolarHBondContact NH1-O 3.13Å; R483-Y498 VanDerWaalsContact NH1-O 3.13Å; P489-Y498 HydrophobicContact CB-CD2 3.84Å; P489-Y498 HydrophobicContact CB-CE2 4.36Å; P489-Y498 HydrophobicContact CB-CG 3.96Å; P489-Y498 HydrophobicContact CG-CD1 4.46Å; P489-Y498 HydrophobicContact CG-CD2 4.06Å; P489-Y498 HydrophobicContact CG-CE1 4.49Å; P489-Y498 HydrophobicContact CG-CE2 4.1Å; P489-Y498 HydrophobicContact CG-CG 4.25Å; T494-Y498 HydrophobicContact CG2-CE2 4.5Å; T494-Y498 PolarHBondContact O-N 3.01Å; W495-Y498 WeakPolarHBondContact CA-O 3.3Å; Y498-F502 AromaticContact CD1-CD1 3.84Å; Y498-F502 HydrophobicContact CD1-CD1 3.84Å; Y498-F502 HydrophobicContact CD1-CD2 4.06Å; Y498-F502 AromaticContact CD1-CE1 3.58Å; Y498-F502 AromaticContact CD1-CE2 3.82Å; Y498-F502 HydrophobicContact CD1-CE2 3.82Å; Y498-F502 HydrophobicContact CD1-CG 4.07Å; Y498-F502 AromaticContact CD1-CZ 3.58Å; Y498-F502 HydrophobicContact CD1-CZ 3.58Å; Y498-F502 HydrophobicContact CE1-CE1 4.15Å; Y498-F502 HydrophobicContact CE1-CE2 4.34Å; Y498-F502 AromaticContact CE1-CZ 3.9Å; Y498-F502 HydrophobicContact CE1-CZ 3.9Å; Y498-F502 HydrophobicContact CG-CD1 4.19Å; Y498-F502 HydrophobicContact CG-CE1 4.26Å; Y498-F502 HydrophobicContact CG-CG 4.5Å; Y498-F502 HydrophobicContact CD1-CE1 3.58Å
499	K	96.1	Very high	96.4	Very high	94 Å²	94	51 Å²	51	41%	0.409	25%	0.25	S	C	.	.			trans	-67.2	167.3	-178.2	-55.6	-58.7	173.6	-174.1	0	112.1	R483 N496 I497 D501 F502	R483-K499 WeakPolarHBondContact CD-O 3.3Å; N496-K499 PolarHBondContact O-NZ 3.36Å; I497-K499 PolarHBondContact O-N 3.28Å; K499-D501 WeakPolarHBondContact CB-OD1 3.22Å; K499-D501 PolarHBondContact O-N 3.3Å; K499-F502 WeakPolarHBondContact O-CB 3.4Å; K499-F502 PolarHBondContact O-N 2.9Å
500	E	95.6	Very high	96.1	Very high	161 Å²	161	54.9 Å²	54.9	75%	0.752	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-35.6	-175.1	-172.2	175.2	-179.2	0	0	113.2	F502	E500-F502 VanDerWaalsContact C-N 3.32Å
501	D	95.9	Very high	95.4	Very high	103 Å²	103	55.8 Å²	55.8	55%	0.551	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	5.6	176.1	63.9	-27.8	0	0	0	113.7	S387 K499	S387-D501 VanDerWaalsContact CB-CG 3.44Å; S387-D501 WeakPolarHBondContact CB-OD1 3.42Å; S387-D501 PolarHBondContact OG-OD1 3.1Å; S387-D501 PolarHBondContact OG-OD2 3.26Å; K499-D501 WeakPolarHBondContact CB-OD1 3.22Å; K499-D501 PolarHBondContact O-N 3.3Å
502	F	98.4	Very high	93.7	Very high	2 Å²	2	64.8 Å²	64.8	1%	0.009	33%	0.331	C	S	.	.			trans	-64.7	136.7	172.6	-178.4	-97.7	0	0	0	110.1	I385 H386 V391 F465 R483 L486 P489 Y498 K499 E500	I385-F502 HydrophobicContact CG2-CD2 4.4Å; I385-F502 HydrophobicContact CG2-CE2 3.57Å; I385-F502 HydrophobicContact CG2-CZ 4.05Å; H386-F502 WeakPolarHBondContact O-CD2 3.39Å; V391-F502 HydrophobicContact CG1-CE2 4.4Å; V391-F502 HydrophobicContact CG2-CD2 4.14Å; V391-F502 HydrophobicContact CG2-CE2 4.05Å; F465-F502 HydrophobicContact CE1-CZ 4.11Å; F465-F502 HydrophobicContact CE2-CZ 4.42Å; F465-F502 HydrophobicContact CZ-CZ 4.04Å; R483-F502 WeakPolarHBondContact CA-O 3.33Å; R483-F502 HydrophobicContact CB-CB 4.37Å; R483-F502 HydrophobicContact CB-CD1 4.4Å; R483-F502 WeakPolarHBondContact CB-O 3.48Å; R483-F502 PolarHBondContact N-O 3.29Å; L486-F502 HydrophobicContact CD1-CD1 3.98Å; L486-F502 HydrophobicContact CD1-CE1 3.57Å; P489-F502 HydrophobicContact CB-CD1 4.49Å; P489-F502 HydrophobicContact CB-CE1 4.41Å; P489-F502 HydrophobicContact CG-CE1 4.19Å; Y498-F502 AromaticContact CD1-CD1 3.84Å; Y498-F502 HydrophobicContact CD1-CD1 3.84Å; Y498-F502 HydrophobicContact CD1-CD2 4.06Å; Y498-F502 AromaticContact CD1-CE1 3.58Å; Y498-F502 AromaticContact CD1-CE2 3.82Å; Y498-F502 HydrophobicContact CD1-CE2 3.82Å; Y498-F502 HydrophobicContact CD1-CG 4.07Å; Y498-F502 AromaticContact CD1-CZ 3.58Å; Y498-F502 HydrophobicContact CD1-CZ 3.58Å; Y498-F502 HydrophobicContact CE1-CE1 4.15Å; Y498-F502 HydrophobicContact CE1-CE2 4.34Å; Y498-F502 AromaticContact CE1-CZ 3.9Å; Y498-F502 HydrophobicContact CE1-CZ 3.9Å; Y498-F502 HydrophobicContact CG-CD1 4.19Å; Y498-F502 HydrophobicContact CG-CE1 4.26Å; Y498-F502 HydrophobicContact CG-CG 4.5Å; Y498-F502 HydrophobicContact CD1-CE1 3.58Å; K499-F502 WeakPolarHBondContact O-CB 3.4Å; K499-F502 PolarHBondContact O-N 2.9Å; E500-F502 VanDerWaalsContact C-N 3.32Å
503	G	98.3	Very high	93.7	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.7	170	179.6	0	0	0	0	0	112	H386 L481	H386-G503 PolarHBondContact N-O 2.89Å; L481-G503 CarbonylContact O-C 3.52Å; L481-G503 VanDerWaalsContact O-CA 3.23Å; L481-G503 WeakPolarHBondContact O-CA 3.35Å
504	V	98.7	Very high	93.8	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.012	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130.5	179.6	178.1	0	0	0	0	109.2	I383 R384 F450 F465 F467 F480 L481 L486 M506	I383-V504 HydrophobicContact CG2-CG1 3.63Å; R384-V504 CarbonylContact O-C 3.55Å; R384-V504 WeakPolarHBondContact O-CA 3.19Å; F450-V504 HydrophobicContact CZ-CG1 4.38Å; F465-V504 HydrophobicContact CE2-CG2 3.97Å; F467-V504 HydrophobicContact CE1-CB 4.37Å; F467-V504 HydrophobicContact CE1-CG1 4.04Å; F467-V504 HydrophobicContact CZ-CG1 4.17Å; F480-V504 WeakPolarHBondContact CA-O 3.44Å; L481-V504 PolarHBondContact N-O 3.23Å; L481-V504 PolarHBondContact O-N 2.9Å; L486-V504 HydrophobicContact CD1-CG2 3.89Å; L486-V504 HydrophobicContact CD2-CB 4.33Å; L486-V504 HydrophobicContact CD2-CG2 4.17Å; V504-M506 HydrophobicContact CG1-CG 4.44Å
505	T	98.7	Very high	93.7	Very high	4 Å²	4	60.8 Å²	60.8	3%	0.025	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125.5	166.3	-57	0	0	0	0	110.2	I383 R384 H386 K478 L479 F480 F507	I383-T505 CarbonylContact C-O 3.59Å; I383-T505 WeakPolarHBondContact CA-O 3.26Å; R384-T505 PolarHBondContact N-O 2.88Å; R384-T505 PolarHBondContact O-N 3Å; H386-T505 PolarHBondContact NE2-OG1 3.37Å; K478-T505 HydrophobicContact CD-CG2 4.17Å; K478-T505 VanDerWaalsContact CE-CG2 3.43Å; K478-T505 HydrophobicContact CG-CG2 3.7Å; L479-T505 CarbonylContact O-C 3.36Å; L479-T505 WeakPolarHBondContact O-CA 3.42Å; F480-T505 WeakPolarHBondContact CD2-OG1 3.45Å; T505-F507 HydrophobicContact CG2-CD1 4.46Å; T505-F507 HydrophobicContact CG2-CD2 4.16Å; T505-F507 HydrophobicContact CG2-CE1 3.94Å; T505-F507 HydrophobicContact CG2-CE2 3.6Å; T505-F507 HydrophobicContact CG2-CZ 3.49Å; T505-F507 VanDerWaalsContact CG2-CZ 3.49Å
506	M	98.5	Very high	93.6	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	137.9	166.9	-57.9	-173.2	72.1	0	0	110.2	I380 I383 V448 F467 F469 K478 L479 V504 F508	I380-M506 HydrophobicContact CD1-CE 3.54Å; I380-M506 HydrophobicContact CG1-CE 4.39Å; I380-M506 HydrophobicContact CG2-CE 3.57Å; I383-M506 HydrophobicContact CD1-CE 4.42Å; I383-M506 HydrophobicContact CG1-CE 4.36Å; I383-M506 HydrophobicContact CG1-CG 4.46Å; V448-M506 HydrophobicContact CG2-CE 3.93Å; V448-M506 HydrophobicContact CG2-SD 3.97Å; F467-M506 HydrophobicContact CE2-CG 4.48Å; F467-M506 HydrophobicContact CE2-SD 3.49Å; F467-M506 WeakPolarHBondContact CE2-SD 3.41Å; F467-M506 HydrophobicContact CZ-CG 4.07Å; F467-M506 HydrophobicContact CZ-SD 3.48Å; F467-M506 WeakPolarHBondContact CZ-SD 3.13Å; F469-M506 HydrophobicContact CD1-SD 4.47Å; F469-M506 HydrophobicContact CE1-CE 4.31Å; F469-M506 HydrophobicContact CE1-SD 3.91Å; F469-M506 HydrophobicContact CZ-SD 4.43Å; K478-M506 WeakPolarHBondContact CA-O 3.37Å; L479-M506 HydrophobicContact CB-CB 4.33Å; L479-M506 HydrophobicContact CD2-SD 4.49Å; L479-M506 PolarHBondContact N-O 3.26Å; L479-M506 PolarHBondContact O-N 3.28Å; V504-M506 HydrophobicContact CG1-CG 4.44Å; M506-F508 HydrophobicContact CB-CE2 3.69Å; M506-F508 HydrophobicContact CB-CZ 3.69Å; M506-F508 HydrophobicContact CE-CE1 4.33Å; M506-F508 HydrophobicContact CE-CZ 4.19Å; M506-F508 HydrophobicContact SD-CZ 4.16Å
507	F	98.4	Very high	93.5	Very high	72 Å²	72	54.8 Å²	54.8	32%	0.316	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	135	174.4	-61.7	-85.8	0	0	0	110.1	K381 S382 R384 K478 T505	K381-F507 PolarHBondContact N-O 3.45Å; S382-F507 PolarHBondContact N-O 3.35Å; S382-F507 PolarHBondContact O-N 3.5Å; S382-F507 WeakPolarHBondContact OG-CD2 3.34Å; R384-F507 HydrophobicContact CB-CE2 3.99Å; K478-F507 HydrophobicContact CD-CE1 4.14Å; K478-F507 HydrophobicContact CG-CD1 4.3Å; K478-F507 HydrophobicContact CG-CE1 4.2Å; T505-F507 HydrophobicContact CG2-CD1 4.46Å; T505-F507 HydrophobicContact CG2-CD2 4.16Å; T505-F507 HydrophobicContact CG2-CE1 3.94Å; T505-F507 HydrophobicContact CG2-CE2 3.6Å; T505-F507 HydrophobicContact CG2-CZ 3.49Å; T505-F507 VanDerWaalsContact CG2-CZ 3.49Å
508	F	98.2	Very high	93.3	Very high	15 Å²	15	56.5 Å²	56.5	7%	0.066	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	163	-176.4	-54.9	-90.3	0	0	0	110.7	L378 R379 I380 F469 I474 N477 L479 M506	L378-F508 HydrophobicContact CB-CB 4.22Å; L378-F508 HydrophobicContact CB-CD1 3.94Å; L378-F508 HydrophobicContact CB-CG 4.35Å; L378-F508 HydrophobicContact CD1-CB 4.37Å; L378-F508 HydrophobicContact CD1-CD1 4.3Å; L378-F508 HydrophobicContact CD1-CG 4.23Å; L378-F508 HydrophobicContact CD2-CB 4.46Å; R379-F508 CarbonylContact O-C 3.56Å; R379-F508 WeakPolarHBondContact O-CA 3.22Å; I380-F508 HydrophobicContact CB-CD1 4.48Å; I380-F508 HydrophobicContact CD1-CE1 4.09Å; I380-F508 HydrophobicContact CG1-CD1 3.99Å; I380-F508 HydrophobicContact CG1-CE1 3.81Å; F469-F508 HydrophobicContact CE2-CE1 4.04Å; F469-F508 AromaticContact CE2-CZ 3.86Å; F469-F508 HydrophobicContact CE2-CZ 3.86Å; F469-F508 AromaticContact CZ-CE1 3.87Å; F469-F508 HydrophobicContact CZ-CE1 3.87Å; F469-F508 AromaticContact CZ-CZ 3.83Å; F469-F508 HydrophobicContact CZ-CZ 3.83Å; I474-F508 HydrophobicContact CD1-CE2 4.39Å; I474-F508 HydrophobicContact CG1-CE2 4.41Å; I474-F508 HydrophobicContact CG2-CD2 3.97Å; I474-F508 HydrophobicContact CG2-CE2 4.14Å; N477-F508 HydrophobicContact CB-CB 4.17Å; N477-F508 WeakPolarHBondContact CB-O 3.31Å; N477-F508 WeakPolarHBondContact O-CD2 3.44Å; N477-F508 PolarHBondContact O-N 3.38Å; L479-F508 HydrophobicContact CB-CE2 3.87Å; L479-F508 HydrophobicContact CB-CZ 4.42Å; M506-F508 HydrophobicContact CB-CE2 3.69Å; M506-F508 HydrophobicContact CB-CZ 3.69Å; M506-F508 HydrophobicContact CE-CE1 4.33Å; M506-F508 HydrophobicContact CE-CZ 4.19Å; M506-F508 HydrophobicContact SD-CZ 4.16Å
509	S	96.1	Very high	93	Very high	26 Å²	26	60.3 Å²	60.3	18%	0.182	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	159	156	73.5	0	0	0	0	109.2	R379 K381	R379-S509 PolarHBondContact N-O 2.69Å; R379-S509 PolarHBondContact O-N 3.17Å; K381-S509 VanDerWaalsContact CE-CB 3.43Å; K381-S509 WeakPolarHBondContact CE-OG 3.15Å
510	D	91.7	Very high	92.7	Very high	81 Å²	81	57.7 Å²	57.7	43%	0.433	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	158.1	168.3	-61.2	-66.4	0	0	0	110.4	R376 N477 D512	R376-D510 IonicContact NH2-OD1 3.17Å; R376-D510 PolarHBondContact NH2-OD1 3.34Å; R376-D510 VanDerWaalsContact NH2-OD1 3.17Å; N477-D510 PolarHBondContact ND2-OD2 3.37Å; D510-D512 PolarHBondContact O-N 3.24Å
511	S	78.6	Confident	92.5	Very high	58 Å²	58	49.1 Å²	49.1	41%	0.406	27%	0.267	S	S	.	.			trans	-71.5	106.7	171.2	57.8	0	0	0	0	108.8
512	D	58.4	Low	92.2	Very high	225 Å²	225	44.2 Å²	44.2	100%	1.203	24%	0.241	S	C	*	.			trans	-59.4	0	164.4	-67	-44	0	0	0	111.2	D510	D510-D512 PolarHBondContact O-N 3.24Å

Retrieved 512 of 512 residues in 274.8 ms (Link to these results)

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