A0A087XZE4_POEFO Loading...

Phospholipase A2, group XV

AlphaFold DB , UniProt , Accession A0A087XZE4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 417 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	31.3	Very low	28.7	Very low	251 Å²	251	150.4 Å²	150.4	100%	1.236	83%	0.833	S	S	*	*				0	135.7	0	-94.9	177	-99.7	0	0	108.5
2	A	30.4	Very low	28.7	Very low	105 Å²	105	152.8 Å²	152.8	87%	0.868	84%	0.841	S	S	*	*			trans	-28.3	152.3	-177	0	0	0	0	0	121.6
3	G	27.6	Very low	28.6	Very low	75 Å²	75	146.8 Å²	146.8	77%	0.773	84%	0.835	S	S	*	*			trans	92.6	147.3	141.6	0	0	0	0	0	117.2
4	W	27.6	Very low	28.8	Very low	227 Å²	227	148.4 Å²	148.4	86%	0.86	84%	0.839	S	S	*	*			cis	-170.5	151.2	-20.1	-138.7	-1.9	0	0	0	104.9
5	H	29.3	Very low	29.2	Very low	118 Å²	118	149.6 Å²	149.6	55%	0.546	84%	0.841	S	S	.	*			trans	81.3	117.8	149.6	-69.3	-40.3	0	0	0	124
6	R	28.7	Very low	29.3	Very low	212 Å²	212	150.9 Å²	150.9	80%	0.8	84%	0.844	S	S	*	*				78.1	97.3	121.8	-66.2	175.2	-174.8	-122.9	2	118.8
7	L	29.9	Very low	29.6	Very low	166 Å²	166	152 Å²	152	87%	0.869	85%	0.846	S	S	*	*			trans	-107.3	110.9	142	-82	116.9	0	0	0	107
8	T	30.3	Very low	29.9	Very low	121 Å²	121	151.8 Å²	151.8	74%	0.742	84%	0.842	S	S	*	*				51.8	89.4	83.6	60.7	0	0	0	0	114.5
9	A	28.5	Very low	30.1	Very low	106 Å²	106	153.2 Å²	153.2	88%	0.876	84%	0.839	S	S	*	*			trans	-165.5	81.5	142.3	0	0	0	0	0	108.6
10	L	24.8	Very low	30.2	Very low	165 Å²	165	154.6 Å²	154.6	86%	0.864	85%	0.845	S	S	*	*			trans	-103.3	149.3	161.3	-132.9	105.9	0	0	0	106.9
11	C	27.3	Very low	30.3	Very low	108 Å²	108	154.7 Å²	154.7	73%	0.73	84%	0.839	S	S	*	*			trans	89.1	96.7	175.6	-56.7	0	0	0	0	116
12	I	28.2	Very low	30.3	Very low	180 Å²	180	148.4 Å²	148.4	92%	0.923	82%	0.818	S	S	*	*	S	Bend		-179.1	129	105.5	-81.6	150.4	0	0	0	106.9
13	G	27.8	Very low	30.5	Very low	74 Å²	74	149.2 Å²	149.2	76%	0.763	82%	0.817	S	S	*	*			trans	135.4	29	165.5	0	0	0	0	0	117.8	L15	G13-L15 PolarHBondContact O-N 3.44Å
14	L	31.5	Very low	30.9	Very low	170 Å²	170	150.5 Å²	150.5	89%	0.89	81%	0.814	S	S	*	*			trans	-89.2	89.3	164.2	-133	139.6	0	0	0	107.6
15	L	34	Very low	31.4	Very low	166 Å²	166	142.9 Å²	142.9	87%	0.869	81%	0.805	S	S	*	*			trans	172.6	90.8	160.8	-98.8	147.9	0	0	0	109.1	G13	G13-L15 PolarHBondContact O-N 3.44Å
16	L	31.9	Very low	31.6	Very low	171 Å²	171	148.6 Å²	148.6	90%	0.895	82%	0.822	S	S	*	*			trans	-174.3	53.6	151.4	-97.3	155	0	0	0	108.3
17	L	34.3	Very low	31.8	Very low	169 Å²	169	144.3 Å²	144.3	89%	0.885	82%	0.822	S	S	*	*			trans	-107.2	92.8	159.6	-90.6	159.8	0	0	0	104.8
18	L	35.6	Very low	32.6	Very low	148 Å²	148	142.6 Å²	142.6	78%	0.775	82%	0.818	S	S	*	*			trans	177.1	134.2	160.6	-91.8	155.9	0	0	0	106
19	F	33.1	Very low	33	Very low	179 Å²	179	145.4 Å²	145.4	79%	0.785	82%	0.823	S	S	*	*			trans	89.7	56	-172.6	-46.8	-67	0	0	0	117.1
20	L	32.8	Very low	33.4	Very low	181 Å²	181	148.9 Å²	148.9	95%	0.948	82%	0.821	S	S	*	*			trans	-106.4	84.4	139.3	-84.5	161.3	0	0	0	106.5
21	E	30.3	Very low	34.6	Very low	156 Å²	156	144.7 Å²	144.7	73%	0.729	80%	0.804	S	S	*	*			trans	-66.9	146.4	163.6	-74.8	-176	161	0	0	108.8	S23	E21-S23 PolarHBondContact O-N 3.16Å
22	P	32.6	Very low	35.3	Very low	120 Å²	120	147.3 Å²	147.3	78%	0.779	81%	0.81	S	S	*	*			trans	-56.2	131.5	167.1	-12.4	25.8	0	0	0	107.3	S24	P22-S24 PolarHBondContact O-N 2.67Å
23	S	34.3	Very low	36.1	Very low	121 Å²	121	147.8 Å²	147.8	85%	0.846	81%	0.809	S	S	*	*			trans	-57	90.9	166.3	170.3	0	0	0	0	108	E21 G25	E21-S23 PolarHBondContact O-N 3.16Å; S23-G25 PolarHBondContact O-N 2.62Å
24	S	36.7	Very low	36.8	Very low	103 Å²	103	152.4 Å²	152.4	72%	0.72	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-55.1	131.8	163	51.5	0	0	0	0	106.5	P22 R26	P22-S24 PolarHBondContact O-N 2.67Å; S24-R26 PolarHBondContact O-N 3.48Å
25	G	38.1	Very low	37.5	Very low	66 Å²	66	153.2 Å²	153.2	68%	0.68	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-48.7	141.9	177.5	0	0	0	0	0	109.8	S23	S23-G25 PolarHBondContact O-N 2.62Å
26	R	32.9	Very low	38.1	Very low	239 Å²	239	149.5 Å²	149.5	90%	0.902	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-48	134.5	168	-81.1	-178.9	176.8	178.2	-0.6	108	S24 V28	S24-R26 PolarHBondContact O-N 3.48Å; R26-V28 PolarHBondContact O-N 2.85Å
27	P	33.5	Very low	39.1	Very low	121 Å²	121	145.8 Å²	145.8	79%	0.786	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-54.3	130.9	175.6	-17.5	28.5	0	0	0	108.1	E29	P27-E29 PolarHBondContact O-N 2.85Å; P27-E29 VanDerWaalsContact O-N 3.17Å
28	V	45.7	Very low	40.4	Very low	130 Å²	130	143.6 Å²	143.6	79%	0.788	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-48.7	123.2	163.5	178.9	0	0	0	0	105.8	R26 E30	R26-V28 PolarHBondContact O-N 2.85Å; V28-E30 PolarHBondContact O-N 3.25Å
29	E	39.4	Very low	42.1	Very low	180 Å²	180	138.1 Å²	138.1	84%	0.841	75%	0.747	S	S	*	*			trans	-52	109.7	167.8	-83.8	-179.7	149.3	0	0	106.7	P27 C31	P27-E29 PolarHBondContact O-N 2.85Å; P27-E29 VanDerWaalsContact O-N 3.17Å; E29-C31 PolarHBondContact O-N 3.24Å
30	E	36.9	Very low	44.5	Very low	179 Å²	179	138.3 Å²	138.3	84%	0.836	75%	0.75	S	S	*	*			trans	-56.4	112.9	171	-81.4	-177	152.6	0	0	106.5	V28 L32	V28-E30 PolarHBondContact O-N 3.25Å; E30-L32 VanDerWaalsContact C-N 3.31Å; E30-L32 PolarHBondContact O-N 3.44Å
31	C	50.1	Low	47.3	Very low	77 Å²	77	132.5 Å²	132.5	52%	0.52	72%	0.715	S	S	.	*			trans	-55.9	98.4	172.7	-68.6	0	0	0	0	107.7	E29 Q33 C37	E29-C31 PolarHBondContact O-N 3.24Å; C31-Q33 PolarHBondContact O-N 3.47Å; C31-C37 WeakPolarHBondContact CB-SG 3.17Å; C31-C37 WeakPolarHBondContact SG-CB 3.48Å; C31-C37 CovalentContact SG-SG 2.07Å; C31-C37 PolarHBondContact SG-SG 3.42Å
32	L	41.9	Very low	50.4	Low	163 Å²	163	125.1 Å²	125.1	85%	0.853	68%	0.681	S	S	*	*			trans	-58.7	133.7	171.6	-80.1	161.7	0	0	0	108.7	E30	E30-L32 VanDerWaalsContact C-N 3.31Å; E30-L32 PolarHBondContact O-N 3.44Å
33	Q	45.1	Very low	53.6	Low	191 Å²	191	119.5 Å²	119.5	89%	0.893	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-40.6	137.9	-169.7	-70.5	169.9	-25.8	0	0	114.3	C31	C31-Q33 PolarHBondContact O-N 3.47Å
34	N	42.5	Very low	56.6	Low	171 Å²	171	113.7 Å²	113.7	91%	0.914	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	84.9	19.5	167.9	-83.3	-6.9	0	0	0	121
35	K	45	Very low	59.6	Low	187 Å²	187	108.8 Å²	108.8	81%	0.813	57%	0.57	S	S	*	*	S	Bend	trans	-125.8	132.4	157.2	-72.8	-179.3	179.3	176.9	0	109.7	C37	K35-C37 PolarHBondContact O-N 3.29Å
36	S	48.3	Very low	62.5	Low	87 Å²	87	105.7 Å²	105.7	61%	0.608	54%	0.538	S	S	*	.			trans	-52.5	130.5	177.9	62.5	0	0	0	0	109.6	Q38	S36-Q38 PolarHBondContact O-N 2.89Å; S36-Q38 WeakPolarHBondContact OG-CG 3.5Å
37	C	52.9	Low	65.7	Low	94 Å²	94	94.3 Å²	94.3	64%	0.635	50%	0.495	S	S	*	.			trans	-68.2	53.2	173.7	-58.7	0	0	0	0	111.1	C31 K35	C31-C37 WeakPolarHBondContact CB-SG 3.17Å; C31-C37 WeakPolarHBondContact SG-CB 3.48Å; C31-C37 CovalentContact SG-SG 2.07Å; C31-C37 PolarHBondContact SG-SG 3.42Å; K35-C37 PolarHBondContact O-N 3.29Å
38	Q	61.1	Low	68.8	Low	123 Å²	123	88.5 Å²	88.5	58%	0.575	46%	0.457	S	S	*	.			trans	-78.2	127.9	172	-74.4	-178.5	-10	0	0	107.6	S36 Q40	S36-Q38 PolarHBondContact O-N 2.89Å; S36-Q38 WeakPolarHBondContact OG-CG 3.5Å; Q38-Q40 PolarHBondContact O-N 3.46Å
39	S	71.9	Confident	71.3	Confident	33 Å²	33	82.3 Å²	82.3	23%	0.231	42%	0.42	C	S	.	.			trans	-55	136.2	174.1	175.7	0	0	0	0	110	R41 A192 R194	S39-R41 WeakPolarHBondContact CB-O 3.47Å; S39-R41 PolarHBondContact O-N 3.36Å; S39-R41 PolarHBondContact OG-N 3.11Å; S39-R41 PolarHBondContact OG-O 3.28Å; S39-A192 PolarHBondContact N-O 3.05Å; S39-R194 WeakPolarHBondContact O-CD 3.44Å; S39-R194 PolarHBondContact O-NH1 3.32Å
40	Q	82.4	Confident	74.1	Confident	183 Å²	183	76.2 Å²	76.2	86%	0.855	39%	0.393	S	S	*	.	S	Bend	trans	-70	-15.5	177	-65.4	-155	-1.6	0	0	113	Q38 R194	Q38-Q40 PolarHBondContact O-N 3.46Å; Q40-R194 PolarHBondContact O-NH1 3.07Å
41	R	91.1	Very high	76.9	Confident	58 Å²	58	70 Å²	70	22%	0.219	37%	0.365	C	S	.	.	S	Bend	trans	-128.6	151.3	-177.6	63.5	-173	175.8	-97.9	-9.2	111.5	S39 G153 Y154 D159 F415	S39-R41 WeakPolarHBondContact CB-O 3.47Å; S39-R41 PolarHBondContact O-N 3.36Å; S39-R41 PolarHBondContact OG-N 3.11Å; S39-R41 PolarHBondContact OG-O 3.28Å; R41-G153 PolarHBondContact NH1-O 3.32Å; R41-G153 PolarHBondContact NH2-O 3.27Å; R41-Y154 HydrophobicContact CG-CE1 4.35Å; R41-Y154 HydrophobicContact CG-CE2 4.46Å; R41-D159 IonicContact CZ-OD2 3.25Å; R41-D159 VanDerWaalsContact CZ-OD2 3.27Å; R41-D159 IonicContact NE-OD2 3.18Å; R41-D159 PolarHBondContact NE-OD2 3.48Å; R41-D159 IonicContact NH2-OD2 2.83Å; R41-D159 PolarHBondContact NH2-OD2 3.49Å; R41-F415 HydrophobicContact CB-CE1 4.24Å
42	P	96.9	Very high	79.1	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.006	34%	0.34	C	S	.	.			trans	-73.5	144.3	177	31.4	-34.9	0	0	0	111.3	Y154 R195 V197 L414	P42-Y154 VanDerWaalsContact O-CE1 3.29Å; P42-Y154 WeakPolarHBondContact O-CE1 3.43Å; P42-Y154 PolarHBondContact O-OH 3.05Å; P42-R195 WeakPolarHBondContact CB-O 3.33Å; P42-V197 HydrophobicContact CB-CG2 3.89Å; P42-V197 HydrophobicContact CG-CG2 3.67Å; P42-L414 VanDerWaalsContact CD-O 3.28Å; P42-L414 WeakPolarHBondContact CD-O 3.37Å; P42-L414 HydrophobicContact CG-CD2 4.16Å
43	P	98.4	Very high	81.8	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.013	30%	0.3	C	S	.	.			trans	-63.7	151.7	167.3	26.7	-32.9	0	0	0	111	D159 M188 A192 V196 V197	P43-D159 CarbonylContact C-O 3.57Å; P43-D159 WeakPolarHBondContact CA-O 3.38Å; P43-M188 HydrophobicContact CB-CB 4.06Å; P43-M188 HydrophobicContact CB-CE 3.82Å; P43-M188 HydrophobicContact CG-CB 4.35Å; P43-A192 HydrophobicContact CB-CB 4.47Å; P43-A192 HydrophobicContact CG-CB 3.83Å; P43-V196 HydrophobicContact CB-CG2 4.3Å; P43-V196 HydrophobicContact CG-CB 4.45Å; P43-V196 HydrophobicContact CG-CG2 3.68Å; P43-V196 CarbonylContact O-C 3.56Å; P43-V196 WeakPolarHBondContact O-CA 3.32Å; P43-V197 PolarHBondContact O-N 3Å
44	V	98.9	Very high	84.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.8	-173.1	178.5	0	0	0	0	111.4	L46 M149 Y154 D159 V160 R161 M188 V197 I199 L414	V44-L46 HydrophobicContact CG1-CD2 3.83Å; V44-M149 HydrophobicContact CB-CE 3.59Å; V44-M149 HydrophobicContact CG1-CE 3.76Å; V44-M149 HydrophobicContact CG1-SD 4.41Å; V44-M149 HydrophobicContact CG2-CE 3.53Å; V44-Y154 HydrophobicContact CB-CE1 4.36Å; V44-Y154 HydrophobicContact CG2-CE1 3.66Å; V44-D159 PolarHBondContact N-O 3.18Å; V44-V160 HydrophobicContact CB-CG2 4.45Å; V44-V160 WeakPolarHBondContact O-CA 3.07Å; V44-R161 PolarHBondContact O-N 2.85Å; V44-M188 VanDerWaalsContact O-CE 3.28Å; V44-M188 WeakPolarHBondContact O-CE 3.41Å; V44-V197 WeakPolarHBondContact CA-O 3.47Å; V44-V197 HydrophobicContact CG2-CB 4.25Å; V44-I199 HydrophobicContact CG1-CD1 3.76Å; V44-I199 HydrophobicContact CG1-CG1 3.92Å; V44-L414 HydrophobicContact CG2-CD1 4.32Å; V44-L414 HydrophobicContact CG2-CD2 3.7Å
45	V	98.9	Very high	87	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.3	170	178.4	0	0	0	0	109.6	I47 R161 A163 L181 M184 I185 M188 V196 V197 L198 I199	V45-I47 HydrophobicContact CB-CD1 4.5Å; V45-I47 HydrophobicContact CG1-CD1 3.95Å; V45-I47 HydrophobicContact CG1-CG1 4.36Å; V45-R161 CarbonylContact C-O 3.55Å; V45-R161 WeakPolarHBondContact CA-O 3.47Å; V45-A163 HydrophobicContact CG1-CB 3.86Å; V45-L181 HydrophobicContact CG1-CD1 3.88Å; V45-M184 HydrophobicContact CB-CE 4.49Å; V45-M184 HydrophobicContact CG1-CE 3.64Å; V45-M184 HydrophobicContact CG2-CE 3.99Å; V45-I185 HydrophobicContact CG2-CG1 4.23Å; V45-M188 HydrophobicContact CG2-CE 4.1Å; V45-M188 HydrophobicContact CG2-SD 3.65Å; V45-V196 HydrophobicContact CB-CG1 4.31Å; V45-V196 HydrophobicContact CG2-CG1 3.76Å; V45-V197 PolarHBondContact N-O 2.87Å; V45-L198 HydrophobicContact CB-CD2 3.93Å; V45-L198 HydrophobicContact CG2-CD2 4.47Å; V45-I199 PolarHBondContact O-N 2.83Å
46	L	98.9	Very high	89.6	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	125.1	177.4	-54.8	-179.8	0	0	0	110.1	V44 L128 F142 V146 V160 R161 A163 I199	V44-L46 HydrophobicContact CG1-CD2 3.83Å; L46-L128 HydrophobicContact CB-CD1 4.41Å; L46-L128 HydrophobicContact CB-CD2 4.07Å; L46-L128 HydrophobicContact CD1-CD1 3.94Å; L46-F142 HydrophobicContact CB-CD1 4.33Å; L46-F142 HydrophobicContact CB-CE1 4.22Å; L46-F142 HydrophobicContact CD1-CD1 3.93Å; L46-F142 HydrophobicContact CD2-CD1 4.35Å; L46-F142 HydrophobicContact CD2-CE1 4.23Å; L46-F142 HydrophobicContact CG-CD1 4.44Å; L46-V146 HydrophobicContact CD1-CG2 3.41Å; L46-V146 VanDerWaalsContact CD1-CG2 3.41Å; L46-V160 HydrophobicContact CD1-CG2 3.92Å; L46-V160 HydrophobicContact CG-CG2 4.12Å; L46-R161 PolarHBondContact N-O 3.1Å; L46-A163 PolarHBondContact O-N 2.99Å; L46-I199 CarbonylContact C-O 3.53Å; L46-I199 WeakPolarHBondContact CA-O 3.23Å; L46-I199 HydrophobicContact CD2-CB 3.87Å; L46-I199 HydrophobicContact CD2-CD1 4.18Å; L46-I199 HydrophobicContact CD2-CG1 4.35Å; L46-I199 HydrophobicContact CD2-CG2 4.46Å
47	I	98.9	Very high	91.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	112.2	179.5	-56.7	89.3	0	0	0	108.7	V45 A163 Y165 Y177 L198 I199 A200 H201	V45-I47 HydrophobicContact CB-CD1 4.5Å; V45-I47 HydrophobicContact CG1-CD1 3.95Å; V45-I47 HydrophobicContact CG1-CG1 4.36Å; I47-A163 HydrophobicContact CG1-CB 4.25Å; I47-Y165 HydrophobicContact CG2-CE1 3.96Å; I47-Y177 WeakPolarHBondContact CG2-OH 3.46Å; I47-L198 HydrophobicContact CD1-CB 4.22Å; I47-L198 HydrophobicContact CD1-CD2 4.43Å; I47-I199 PolarHBondContact N-O 3.3Å; I47-A200 HydrophobicContact CB-CB 3.84Å; I47-A200 HydrophobicContact CD1-CB 4.41Å; I47-A200 HydrophobicContact CG2-CB 4.43Å; I47-A200 VanDerWaalsContact O-CA 3.3Å; I47-A200 WeakPolarHBondContact O-CA 3.15Å; I47-H201 PolarHBondContact O-N 3.24Å
48	P	98.8	Very high	94.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.14	C	C	.	.			trans	-73.6	167.8	-175.8	31.1	-34.7	0	0	0	113.2	G52 N53 Y141 F142 A163 Y165 G204	P48-G52 WeakPolarHBondContact CB-O 3.39Å; P48-N53 HydrophobicContact CG-CB 4.07Å; P48-N53 VanDerWaalsContact CG-OD1 3.3Å; P48-N53 WeakPolarHBondContact CG-OD1 3.3Å; P48-Y141 HydrophobicContact CB-CE1 3.9Å; P48-F142 HydrophobicContact CB-CE2 4.14Å; P48-A163 WeakPolarHBondContact CD-O 3.3Å; P48-Y165 HydrophobicContact CG-CD1 4.38Å; P48-Y165 HydrophobicContact CG-CE1 4.07Å; P48-Y165 WeakPolarHBondContact O-CE1 3.01Å; P48-Y165 PolarHBondContact O-OH 3.37Å; P48-G204 WeakPolarHBondContact O-CA 3.24Å; P48-G204 PolarHBondContact O-N 2.74Å
49	G	98.6	Very high	95.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.114	C	C	.	.			trans	-87.8	-167.4	173.3	0	0	0	0	0	113.7	G52 Y141 H201	G49-G52 PolarHBondContact O-N 3.2Å; G49-Y141 WeakPolarHBondContact CA-OH 3.22Å; G49-Y141 PolarHBondContact N-OH 2.91Å; G49-H201 WeakPolarHBondContact CA-O 3.33Å; G49-H201 PolarHBondContact N-O 2.82Å
50	D	97.8	Very high	97.1	Very high	52 Å²	52	27.3 Å²	27.3	28%	0.278	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	141.4	168.3	-169	32.5	0	0	0	109.9	G52 M203	D50-G52 PolarHBondContact O-N 3.02Å; D50-M203 HydrophobicContact CB-CB 4.31Å; D50-M203 HydrophobicContact CB-CE 3.62Å; D50-M203 HydrophobicContact CB-SD 4.27Å
51	L	95.7	Very high	97.8	Very high	48 Å²	48	19.1 Å²	19.1	25%	0.251	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	4.5	-171.4	-52.3	179.4	0	0	0	115.3	N53 W80 L131 W167	L51-N53 VanDerWaalsContact C-N 3.34Å; L51-N53 PolarHBondContact O-N 3.35Å; L51-W80 HydrophobicContact CB-CZ2 3.64Å; L51-W80 HydrophobicContact CD1-CH2 4.12Å; L51-W80 HydrophobicContact CD1-CZ2 4Å; L51-W80 HydrophobicContact CD2-CH2 4.15Å; L51-W80 HydrophobicContact CD2-CZ2 3.88Å; L51-W80 HydrophobicContact CG-CZ2 4.06Å; L51-W80 PolarHBondContact O-NE1 3Å; L51-L131 WeakPolarHBondContact O-CD1 3.41Å; L51-W167 HydrophobicContact CD2-CD2 4.23Å; L51-W167 HydrophobicContact CD2-CE3 3.78Å; L51-W167 HydrophobicContact CD2-CH2 3.24Å; L51-W167 HydrophobicContact CD2-CZ2 3.69Å; L51-W167 HydrophobicContact CD2-CZ3 3.28Å; L51-W167 HydrophobicContact CG-CZ3 4.49Å
52	G	97.3	Very high	97.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.125	C	C	.	.			trans	-86.6	7.1	-163.8	0	0	0	0	0	116.2	P48 G49 D50 L131 Y141	P48-G52 WeakPolarHBondContact CB-O 3.39Å; G49-G52 PolarHBondContact O-N 3.2Å; D50-G52 PolarHBondContact O-N 3.02Å; G52-L131 WeakPolarHBondContact O-CD2 3.14Å; G52-Y141 VanDerWaalsContact O-CD1 3.26Å; G52-Y141 WeakPolarHBondContact O-CD1 3.45Å; G52-Y141 VanDerWaalsContact O-CE1 3.28Å; G52-Y141 WeakPolarHBondContact O-CE1 3.37Å
53	N	98.6	Very high	97.6	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-147.1	158.1	169.4	59.4	-105.4	0	0	0	111.8	P48 L51 W80 S127 P164 Y165 W167	P48-N53 HydrophobicContact CG-CB 4.07Å; P48-N53 VanDerWaalsContact CG-OD1 3.3Å; P48-N53 WeakPolarHBondContact CG-OD1 3.3Å; L51-N53 VanDerWaalsContact C-N 3.34Å; L51-N53 PolarHBondContact O-N 3.35Å; N53-W80 VanDerWaalsContact O-CD1 3.26Å; N53-S127 CarbonylContact C-O 3.59Å; N53-S127 VanDerWaalsContact CA-O 3.25Å; N53-S127 WeakPolarHBondContact CA-O 3.29Å; N53-P164 HydrophobicContact CB-CB 3.54Å; N53-P164 VanDerWaalsContact CG-CB 3.42Å; N53-Y165 PolarHBondContact ND2-O 3Å; N53-Y165 PolarHBondContact OD1-N 3.43Å; N53-Y165 VanDerWaalsContact OD1-N 3.12Å; N53-Y165 PolarHBondContact OD1-O 2.92Å; N53-W167 PolarHBondContact O-NE1 2.86Å
54	Q	98.4	Very high	97.1	Very high	9 Å²	9	25.2 Å²	25.2	4%	0.042	15%	0.154	C	C	.	.			trans	-57.6	151	174.9	-68.5	177.3	16.6	0	0	112.6	W80 P120 S127 F130 L131	Q54-W80 CarbonylContact C-O 3.57Å; Q54-W80 WeakPolarHBondContact CA-O 3.34Å; Q54-W80 WeakPolarHBondContact CB-O 3.44Å; Q54-P120 HydrophobicContact CB-CG 3.77Å; Q54-P120 WeakPolarHBondContact O-CD 3.29Å; Q54-S127 PolarHBondContact N-O 3.46Å; Q54-F130 PolarHBondContact NE2-O 3.44Å; Q54-L131 VanDerWaalsContact CG-O 3.28Å; Q54-L131 WeakPolarHBondContact CG-O 3.41Å
55	L	98.5	Very high	96.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	142.9	164.9	-67	178.8	0	0	0	108.9	L79 W80 M98 I117 V119 W167 R168	L55-L79 PolarHBondContact O-N 3.16Å; L55-W80 HydrophobicContact CB-CB 4.16Å; L55-W80 PolarHBondContact N-O 3.46Å; L55-W80 PolarHBondContact O-N 3.47Å; L55-M98 HydrophobicContact CD1-CE 4.29Å; L55-M98 HydrophobicContact CD1-SD 4.15Å; L55-I117 HydrophobicContact CB-CG2 4.46Å; L55-I117 HydrophobicContact CD2-CG2 4.4Å; L55-V119 HydrophobicContact CD2-CG2 3.86Å; L55-W167 HydrophobicContact CD1-CD2 4.45Å; L55-W167 HydrophobicContact CD1-CH2 4.32Å; L55-W167 HydrophobicContact CD1-CZ2 3.61Å; L55-W167 HydrophobicContact CG-CZ2 4.3Å; L55-R168 HydrophobicContact CD1-CG 4.42Å
56	E	98.4	Very high	96.2	Very high	29 Å²	29	32.3 Å²	32.3	14%	0.136	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	147.1	174.3	-72.4	179.2	-170.1	0	0	110.9	F76 F77 I117 R118 P120	E56-F76 HydrophobicContact CB-CB 4.24Å; E56-F76 HydrophobicContact CB-CD1 4.06Å; E56-F76 WeakPolarHBondContact OE2-CB 3.33Å; E56-F77 CarbonylContact C-O 3.51Å; E56-F77 WeakPolarHBondContact CA-O 3.32Å; E56-I117 CarbonylContact O-C 3.55Å; E56-I117 VanDerWaalsContact O-CA 3.29Å; E56-I117 WeakPolarHBondContact O-CA 3.38Å; E56-R118 HydrophobicContact CB-CG 3.92Å; E56-R118 PolarHBondContact N-O 2.96Å; E56-R118 PolarHBondContact O-N 3.32Å; E56-R118 IonicContact OE2-CZ 3.58Å; E56-R118 IonicContact OE2-NE 3.57Å; E56-R118 PolarHBondContact OE2-NE 3.17Å; E56-R118 IonicContact OE2-NH2 2.74Å; E56-R118 PolarHBondContact OE2-NH2 2.97Å; E56-P120 HydrophobicContact CG-CB 4.29Å; E56-P120 HydrophobicContact CG-CG 4.03Å
57	A	98.3	Very high	95.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	152.4	177	0	0	0	0	0	113.1	L59 F76 F77 L79 E116 I117	A57-L59 HydrophobicContact CB-CD2 4.48Å; A57-F76 VanDerWaalsContact C-CD1 3.49Å; A57-F76 CarbonylContact O-C 3.57Å; A57-F76 VanDerWaalsContact O-CA 3.24Å; A57-F76 WeakPolarHBondContact O-CA 3.34Å; A57-F77 HydrophobicContact CB-CE1 3.85Å; A57-F77 HydrophobicContact CB-CZ 3.88Å; A57-F77 PolarHBondContact N-O 3.22Å; A57-F77 WeakPolarHBondContact O-CD1 3.15Å; A57-F77 VanDerWaalsContact O-CE1 3.27Å; A57-F77 WeakPolarHBondContact O-CE1 3.38Å; A57-F77 PolarHBondContact O-N 3.5Å; A57-L79 HydrophobicContact CB-CB 3.89Å; A57-L79 HydrophobicContact CB-CD1 4.4Å; A57-L79 HydrophobicContact CB-CD2 3.96Å; A57-L79 HydrophobicContact CB-CG 4.29Å; A57-E116 CarbonylContact C-O 3.57Å; A57-E116 WeakPolarHBondContact CA-O 3.28Å; A57-I117 HydrophobicContact CB-CG1 4.1Å
58	K	98.4	Very high	95.4	Very high	79 Å²	79	46 Å²	46	34%	0.343	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	133	167.6	-175.9	179.9	179.5	-178.4	0	109.3	K74 F76 E116	K58-K74 WeakPolarHBondContact CE-O 3.41Å; K58-F76 HydrophobicContact CB-CD1 3.8Å; K58-F76 HydrophobicContact CB-CD2 4.23Å; K58-F76 HydrophobicContact CB-CE1 3.73Å; K58-F76 HydrophobicContact CB-CE2 4.17Å; K58-F76 HydrophobicContact CB-CG 4.06Å; K58-F76 HydrophobicContact CB-CZ 3.93Å; K58-F76 HydrophobicContact CD-CD2 4.31Å; K58-F76 HydrophobicContact CD-CE2 4.06Å; K58-F76 HydrophobicContact CD-CZ 4.42Å; K58-E116 HydrophobicContact CB-CB 4.39Å; K58-E116 PolarHBondContact N-O 3.33Å; K58-E116 PolarHBondContact O-N 3.28Å
59	L	98.3	Very high	95.1	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.026	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	138.8	-172.1	-46.6	179.5	0	0	0	111.8	A57 K61 Y70 Q71 K72 T73 F77 N97 G114 V115	A57-L59 HydrophobicContact CB-CD2 4.48Å; L59-K61 HydrophobicContact CD2-CD 4.47Å; L59-Y70 VanDerWaalsContact CD1-O 3.23Å; L59-Y70 WeakPolarHBondContact CD1-O 3.34Å; L59-Q71 CarbonylContact C-O 3.51Å; L59-Q71 WeakPolarHBondContact CB-O 3.47Å; L59-K72 VanDerWaalsContact O-CA 3.28Å; L59-K72 WeakPolarHBondContact O-CA 3.31Å; L59-T73 HydrophobicContact CB-CG2 4.15Å; L59-T73 HydrophobicContact CD1-CG2 4.02Å; L59-T73 HydrophobicContact CG-CG2 3.98Å; L59-T73 PolarHBondContact N-OG1 2.87Å; L59-T73 PolarHBondContact O-N 3.38Å; L59-F77 HydrophobicContact CD1-CE1 4.05Å; L59-F77 HydrophobicContact CD1-CZ 4.18Å; L59-F77 HydrophobicContact CD2-CE1 4.22Å; L59-F77 HydrophobicContact CD2-CZ 4.42Å; L59-F77 HydrophobicContact CG-CE1 3.84Å; L59-F77 HydrophobicContact CG-CZ 4.32Å; L59-N97 HydrophobicContact CD2-CB 4.46Å; L59-G114 CarbonylContact C-O 3.59Å; L59-G114 WeakPolarHBondContact CA-O 3.29Å; L59-V115 HydrophobicContact CD2-CB 4.44Å; L59-V115 HydrophobicContact CD2-CG1 3.96Å; L59-V115 HydrophobicContact CD2-CG2 4.06Å
60	N	97.8	Very high	94.8	Very high	107 Å²	107	55.2 Å²	55.2	57%	0.572	29%	0.286	S	S	*	.	B	Isolated β-bridge	trans	-149.5	53.9	166.3	-172.6	33.2	0	0	0	109.8	Q71 K72 G114	N60-Q71 CarbonylContact C-O 3.53Å; N60-Q71 WeakPolarHBondContact CA-O 3.28Å; N60-Q71 PolarHBondContact N-O 3.3Å; N60-K72 WeakPolarHBondContact OD1-CE 3.26Å; N60-G114 CarbonylContact C-O 3.52Å; N60-G114 PolarHBondContact N-O 2.82Å; N60-G114 WeakPolarHBondContact O-CA 3.33Å
61	K	96.7	Very high	94.6	Very high	12 Å²	12	57 Å²	57	5%	0.052	29%	0.293	C	S	.	.			trans	-78.1	151.1	-177.6	-57.8	166.8	71.6	95.5	0	110.7	L59 G63 Q71 D96 N97 V115	L59-K61 HydrophobicContact CD2-CD 4.47Å; K61-G63 WeakPolarHBondContact CB-O 3.45Å; K61-G63 WeakPolarHBondContact CE-O 3.38Å; K61-Q71 HydrophobicContact CB-CB 4.49Å; K61-Q71 PolarHBondContact N-O 2.8Å; K61-D96 WeakPolarHBondContact CE-OD2 3.4Å; K61-D96 PolarHBondContact NZ-O 3.31Å; K61-D96 IonicContact NZ-OD1 3.91Å; K61-D96 IonicContact NZ-OD2 2.66Å; K61-D96 PolarHBondContact NZ-OD2 2.72Å; K61-N97 WeakPolarHBondContact CD-OD1 3.49Å; K61-N97 WeakPolarHBondContact CE-OD1 3.39Å; K61-N97 PolarHBondContact NZ-OD1 2.96Å; K61-V115 HydrophobicContact CD-CG2 4.02Å; K61-V115 HydrophobicContact CG-CG2 3.94Å
62	S	93.3	Very high	94.6	Very high	128 Å²	128	61.6 Å²	61.6	90%	0.895	31%	0.31	S	S	*	.	S	Bend	trans	-79	-19.3	172.4	52.6	0	0	0	0	113.3
63	G	91.1	Very high	94.6	Very high	32 Å²	32	63.2 Å²	63.2	33%	0.33	32%	0.321	S	S	.	.			trans	-163.5	169.3	-179.4	0	0	0	0	0	111.5	K61	K61-G63 WeakPolarHBondContact CB-O 3.45Å; K61-G63 WeakPolarHBondContact CE-O 3.38Å
64	G	87.3	Confident	94.5	Very high	29 Å²	29	72.1 Å²	72.1	30%	0.299	36%	0.359	S	S	.	.			trans	-129.7	158.1	174.2	0	0	0	0	0	110.4	H66	G64-H66 PolarHBondContact O-N 2.78Å
65	V	90.6	Very high	94.5	Very high	74 Å²	74	77.1 Å²	77.1	45%	0.448	39%	0.386	S	S	.	.	S	Bend	trans	-65.9	-26.3	179.6	-66.4	0	0	0	0	113.1	D92 D96	V65-D92 HydrophobicContact CG2-CB 4.1Å; V65-D92 WeakPolarHBondContact CG2-O 3.19Å; V65-D96 HydrophobicContact CG1-CB 3.8Å; V65-D96 HydrophobicContact CG2-CB 4.2Å
66	H	88.6	Confident	94.4	Very high	75 Å²	75	79.4 Å²	79.4	35%	0.347	40%	0.396	S	S	.	.	S	Bend	trans	-137.1	159.3	173.3	-63.3	-65.2	0	0	0	110.8	G64 I68 C69 D92	G64-H66 PolarHBondContact O-N 2.78Å; H66-I68 HydrophobicContact CB-CG1 3.98Å; H66-I68 PolarHBondContact O-N 3.4Å; H66-C69 WeakPolarHBondContact O-CB 3.33Å; H66-C69 PolarHBondContact O-N 3.22Å; H66-D92 IonicContact CD2-OD2 2.74Å; H66-D92 IonicContact CE1-OD2 2.6Å; H66-D92 IonicContact NE2-OD2 3.54Å; H66-D92 PolarHBondContact NE2-OD2 2.7Å
67	Y	88.9	Confident	94.4	Very high	227 Å²	227	80.6 Å²	80.6	89%	0.89	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.4	179.1	73.9	-88.9	0	0	0	113.6	C69	Y67-C69 VanDerWaalsContact C-N 3.35Å
68	I	91.2	Very high	94.3	Very high	60 Å²	60	82.1 Å²	82.1	31%	0.308	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-13.9	177.3	62.4	162	0	0	0	113.3	H66 Y70 I89 I90	H66-I68 HydrophobicContact CB-CG1 3.98Å; H66-I68 PolarHBondContact O-N 3.4Å; I68-Y70 PolarHBondContact O-N 3.43Å; I68-I89 HydrophobicContact CD1-CB 4.38Å; I68-I89 HydrophobicContact CD1-CG2 3.53Å; I68-I90 HydrophobicContact CD1-CG1 4.36Å
69	C	92.7	Very high	94.1	Very high	10 Å²	10	78.3 Å²	78.3	7%	0.068	39%	0.394	C	S	.	.	S	Bend	trans	-78.3	120.3	-176.4	-56.1	0	0	0	0	110.3	H66 Y67 Q71 C93	H66-C69 WeakPolarHBondContact O-CB 3.33Å; H66-C69 PolarHBondContact O-N 3.22Å; Y67-C69 VanDerWaalsContact C-N 3.35Å; C69-Q71 PolarHBondContact O-N 2.67Å; C69-C93 WeakPolarHBondContact CA-SG 3.28Å; C69-C93 HydrophobicContact CB-CB 3.71Å; C69-C93 WeakPolarHBondContact CB-SG 3.49Å; C69-C93 WeakPolarHBondContact SG-CA 3.11Å; C69-C93 WeakPolarHBondContact SG-CB 3.3Å; C69-C93 CovalentContact SG-SG 2.04Å; C69-C93 PolarHBondContact SG-SG 3.26Å
70	Y	92.1	Very high	94	Very high	184 Å²	184	79.1 Å²	79.1	72%	0.722	40%	0.397	S	S	*	.			trans	-58.8	127.5	173.4	-65.2	-68.9	0	0	0	110.7	L59 I68	L59-Y70 VanDerWaalsContact CD1-O 3.23Å; L59-Y70 WeakPolarHBondContact CD1-O 3.34Å; I68-Y70 PolarHBondContact O-N 3.43Å
71	Q	94.3	Very high	93.5	Very high	89 Å²	89	74.6 Å²	74.6	42%	0.416	37%	0.372	S	S	.	.			trans	-92.4	-28.4	178	-64.2	173.3	-6.2	0	0	111.8	L59 N60 K61 C69	L59-Q71 CarbonylContact C-O 3.51Å; L59-Q71 WeakPolarHBondContact CB-O 3.47Å; N60-Q71 CarbonylContact C-O 3.53Å; N60-Q71 WeakPolarHBondContact CA-O 3.28Å; N60-Q71 PolarHBondContact N-O 3.3Å; K61-Q71 HydrophobicContact CB-CB 4.49Å; K61-Q71 PolarHBondContact N-O 2.8Å; C69-Q71 PolarHBondContact O-N 2.67Å
72	K	96.9	Very high	92.9	Very high	144 Å²	144	76 Å²	76	63%	0.626	38%	0.381	S	S	*	.	B	Isolated β-bridge	trans	-134.5	135.8	-176.2	-60	-170.3	177.8	-177.7	0	110.8	L59 N60	L59-K72 VanDerWaalsContact O-CA 3.28Å; L59-K72 WeakPolarHBondContact O-CA 3.31Å; N60-K72 WeakPolarHBondContact OD1-CE 3.26Å
73	T	97.1	Very high	92.3	Very high	35 Å²	35	73.1 Å²	73.1	22%	0.215	36%	0.357	C	S	.	.			trans	-124.9	142.7	170.6	65.2	0	0	0	0	110	L59 N75 F77	L59-T73 HydrophobicContact CB-CG2 4.15Å; L59-T73 HydrophobicContact CD1-CG2 4.02Å; L59-T73 HydrophobicContact CG-CG2 3.98Å; L59-T73 PolarHBondContact N-OG1 2.87Å; L59-T73 PolarHBondContact O-N 3.38Å; T73-N75 WeakPolarHBondContact CB-O 2.99Å; T73-N75 PolarHBondContact OG1-O 3.32Å; T73-F77 HydrophobicContact CG2-CD1 3.94Å; T73-F77 HydrophobicContact CG2-CE1 3.96Å
74	K	96.1	Very high	91.8	Very high	187 Å²	187	78.9 Å²	78.9	81%	0.813	38%	0.376	S	S	*	.	S	Bend	trans	-71.3	-45.6	178.2	-174.2	179.7	178.2	-178.3	0	111.1	K58	K58-K74 WeakPolarHBondContact CE-O 3.41Å
75	N	97.4	Very high	91.5	Very high	114 Å²	114	78.6 Å²	78.6	61%	0.61	37%	0.367	S	S	*	.	S	Bend	trans	-116	168.5	-177.6	-60.4	-29.9	0	0	0	110.4	T73	T73-N75 WeakPolarHBondContact CB-O 2.99Å; T73-N75 PolarHBondContact OG1-O 3.32Å
76	F	97.9	Very high	91.1	Very high	47 Å²	47	75.8 Å²	75.8	21%	0.206	35%	0.349	C	S	.	.			trans	-63.6	144	163.2	-76.7	-90.4	0	0	0	110.3	E56 A57 K58 E116 R118	E56-F76 HydrophobicContact CB-CB 4.24Å; E56-F76 HydrophobicContact CB-CD1 4.06Å; E56-F76 WeakPolarHBondContact OE2-CB 3.33Å; A57-F76 VanDerWaalsContact C-CD1 3.49Å; A57-F76 CarbonylContact O-C 3.57Å; A57-F76 VanDerWaalsContact O-CA 3.24Å; A57-F76 WeakPolarHBondContact O-CA 3.34Å; K58-F76 HydrophobicContact CB-CD1 3.8Å; K58-F76 HydrophobicContact CB-CD2 4.23Å; K58-F76 HydrophobicContact CB-CE1 3.73Å; K58-F76 HydrophobicContact CB-CE2 4.17Å; K58-F76 HydrophobicContact CB-CG 4.06Å; K58-F76 HydrophobicContact CB-CZ 3.93Å; K58-F76 HydrophobicContact CD-CD2 4.31Å; K58-F76 HydrophobicContact CD-CE2 4.06Å; K58-F76 HydrophobicContact CD-CZ 4.42Å; F76-E116 HydrophobicContact CE1-CG 4.14Å; F76-E116 VanDerWaalsContact CZ-CD 3.5Å; F76-E116 HydrophobicContact CZ-CG 3.93Å; F76-E116 WeakPolarHBondContact CZ-OE1 3.09Å; F76-R118 HydrophobicContact CD1-CG 3.82Å; F76-R118 HydrophobicContact CE1-CB 4.25Å; F76-R118 HydrophobicContact CE1-CG 3.68Å; F76-R118 HydrophobicContact CZ-CG 4.28Å
77	F	96.5	Very high	90.8	Very high	55 Å²	55	75.2 Å²	75.2	24%	0.241	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	158.5	171.4	69	-79.7	0	0	0	109.2	E56 A57 L59 T73 L79	E56-F77 CarbonylContact C-O 3.51Å; E56-F77 WeakPolarHBondContact CA-O 3.32Å; A57-F77 HydrophobicContact CB-CE1 3.85Å; A57-F77 HydrophobicContact CB-CZ 3.88Å; A57-F77 PolarHBondContact N-O 3.22Å; A57-F77 WeakPolarHBondContact O-CD1 3.15Å; A57-F77 VanDerWaalsContact O-CE1 3.27Å; A57-F77 WeakPolarHBondContact O-CE1 3.38Å; A57-F77 PolarHBondContact O-N 3.5Å; L59-F77 HydrophobicContact CD1-CE1 4.05Å; L59-F77 HydrophobicContact CD1-CZ 4.18Å; L59-F77 HydrophobicContact CD2-CE1 4.22Å; L59-F77 HydrophobicContact CD2-CZ 4.42Å; L59-F77 HydrophobicContact CG-CE1 3.84Å; L59-F77 HydrophobicContact CG-CZ 4.32Å; T73-F77 HydrophobicContact CG2-CD1 3.94Å; T73-F77 HydrophobicContact CG2-CE1 3.96Å; F77-L79 HydrophobicContact CE2-CD1 4.25Å; F77-L79 HydrophobicContact CZ-CD1 4.36Å; F77-L79 PolarHBondContact O-N 2.94Å
78	T	96.5	Very high	90.4	Very high	31 Å²	31	67.7 Å²	67.7	19%	0.19	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	115.5	175.8	-54.5	0	0	0	0	110	W80 Q85 P133	T78-W80 VanDerWaalsContact CG2-O 3.29Å; T78-W80 WeakPolarHBondContact CG2-O 3.33Å; T78-Q85 PolarHBondContact O-NE2 2.84Å; T78-P133 HydrophobicContact CG2-CG 3.88Å
79	L	95.9	Very high	89.9	Confident	0 Å²	0	70 Å²	70	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-31.4	174.2	-177.9	66.7	0	0	0	111.1	L55 A57 F77 W94 N97 M98 I117	L55-L79 PolarHBondContact O-N 3.16Å; A57-L79 HydrophobicContact CB-CB 3.89Å; A57-L79 HydrophobicContact CB-CD1 4.4Å; A57-L79 HydrophobicContact CB-CD2 3.96Å; A57-L79 HydrophobicContact CB-CG 4.29Å; F77-L79 HydrophobicContact CE2-CD1 4.25Å; F77-L79 HydrophobicContact CZ-CD1 4.36Å; F77-L79 PolarHBondContact O-N 2.94Å; L79-W94 PolarHBondContact O-NE1 3.32Å; L79-N97 HydrophobicContact CD1-CB 4.05Å; L79-M98 HydrophobicContact CD2-CB 4.32Å; L79-M98 HydrophobicContact CD2-CE 3.74Å; L79-M98 HydrophobicContact CD2-SD 3.56Å; L79-M98 VanDerWaalsContact CD2-SD 3.56Å; L79-M98 HydrophobicContact CG-CE 3.63Å; L79-M98 HydrophobicContact CG-SD 4.14Å; L79-I117 HydrophobicContact CD2-CD1 3.69Å; L79-I117 HydrophobicContact CD2-CG1 4.08Å
80	W	95.6	Very high	89.6	Confident	22 Å²	22	72.9 Å²	72.9	8%	0.083	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	135.1	174.2	178.7	-98.2	0	0	0	110.5	L51 N53 Q54 L55 T78 L86 W94 M98 W167	L51-W80 HydrophobicContact CB-CZ2 3.64Å; L51-W80 HydrophobicContact CD1-CH2 4.12Å; L51-W80 HydrophobicContact CD1-CZ2 4Å; L51-W80 HydrophobicContact CD2-CH2 4.15Å; L51-W80 HydrophobicContact CD2-CZ2 3.88Å; L51-W80 HydrophobicContact CG-CZ2 4.06Å; L51-W80 PolarHBondContact O-NE1 3Å; N53-W80 VanDerWaalsContact O-CD1 3.26Å; Q54-W80 CarbonylContact C-O 3.57Å; Q54-W80 WeakPolarHBondContact CA-O 3.34Å; Q54-W80 WeakPolarHBondContact CB-O 3.44Å; L55-W80 HydrophobicContact CB-CB 4.16Å; L55-W80 PolarHBondContact N-O 3.46Å; L55-W80 PolarHBondContact O-N 3.47Å; T78-W80 VanDerWaalsContact CG2-O 3.29Å; T78-W80 WeakPolarHBondContact CG2-O 3.33Å; W80-L86 HydrophobicContact CZ3-CD1 4.45Å; W80-W94 AromaticContact CE3-CZ2 3.86Å; W80-W94 HydrophobicContact CE3-CZ2 3.86Å; W80-W94 HydrophobicContact CZ3-CZ2 4.15Å; W80-M98 HydrophobicContact CB-CE 3.68Å; W80-M98 HydrophobicContact CG-CE 4.46Å; W80-W167 HydrophobicContact CB-CZ2 4.1Å; W80-W167 AromaticContact CD1-CZ2 3.7Å; W80-W167 AromaticContact CD1-NE1 3.88Å; W80-W167 HydrophobicContact CD2-CZ2 4.02Å; W80-W167 AromaticContact CG-CZ2 3.67Å; W80-W167 HydrophobicContact CG-CZ2 3.67Å
81	L	87.7	Confident	89.5	Confident	12 Å²	12	64.3 Å²	64.3	6%	0.063	32%	0.322	C	S	.	.	S	Bend	cis	-88.5	132.9	-14.1	176	62.1	0	0	0	109.3	V83 L86 L131 D132	L81-V83 HydrophobicContact CD1-CG2 4.4Å; L81-V83 HydrophobicContact CD2-CG2 4.11Å; L81-V83 HydrophobicContact CG-CG2 4.11Å; L81-L86 HydrophobicContact CD1-CD1 3.79Å; L81-L131 HydrophobicContact CB-CB 3.86Å; L81-L131 WeakPolarHBondContact CB-O 3.44Å; L81-L131 HydrophobicContact CD2-CB 4.41Å; L81-L131 PolarHBondContact N-O 3.12Å; L81-D132 HydrophobicContact CB-CB 4.48Å; L81-D132 HydrophobicContact CD2-CB 4.4Å; L81-D132 HydrophobicContact CG-CB 4.48Å
82	D	84.1	Confident	89.4	Confident	42 Å²	42	61.7 Å²	61.7	23%	0.225	31%	0.311	C	S	.	.			trans	-132.2	105.3	166.6	-177.9	-15	0	0	0	107.8	E84 Q85	D82-E84 PolarHBondContact O-N 3.42Å; D82-E84 WeakPolarHBondContact OD1-CB 3.42Å; D82-E84 PolarHBondContact OD1-N 3.41Å; D82-Q85 HydrophobicContact CB-CB 4.28Å; D82-Q85 HydrophobicContact CB-CG 4.01Å; D82-Q85 VanDerWaalsContact CB-NE2 3.3Å; D82-Q85 VanDerWaalsContact CG-NE2 3.35Å; D82-Q85 WeakPolarHBondContact O-CB 3.43Å; D82-Q85 PolarHBondContact O-N 3.06Å; D82-Q85 VanDerWaalsContact O-N 3.12Å; D82-Q85 WeakPolarHBondContact OD2-CG 3.18Å; D82-Q85 PolarHBondContact OD2-NE2 3.07Å
83	V	79.7	Confident	89.3	Confident	67 Å²	67	55.4 Å²	55.4	41%	0.406	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-66.4	-28.1	-175.1	-176.5	0	0	0	0	111.2	L81 Q85 L86	L81-V83 HydrophobicContact CD1-CG2 4.4Å; L81-V83 HydrophobicContact CD2-CG2 4.11Å; L81-V83 HydrophobicContact CG-CG2 4.11Å; V83-Q85 PolarHBondContact O-N 3.07Å; V83-L86 PolarHBondContact O-N 3.04Å; V83-L86 VanDerWaalsContact O-N 3.12Å
84	E	81.6	Confident	89.2	Confident	152 Å²	152	54.1 Å²	54.1	71%	0.71	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-66.2	-27.4	176.5	-58.5	-173.6	174.5	0	0	111.4	D82 L86 V87	D82-E84 PolarHBondContact O-N 3.42Å; D82-E84 WeakPolarHBondContact OD1-CB 3.42Å; D82-E84 PolarHBondContact OD1-N 3.41Å; E84-L86 VanDerWaalsContact C-N 3.28Å; E84-L86 PolarHBondContact O-N 3.04Å; E84-V87 WeakPolarHBondContact O-CG2 3.25Å
85	Q	80.9	Confident	89.2	Confident	24 Å²	24	45.9 Å²	45.9	11%	0.112	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-76.5	-12.6	176.4	-68.3	-177.8	57.6	0	0	113.7	T78 D82 V83 I90 I91 W94	T78-Q85 PolarHBondContact O-NE2 2.84Å; D82-Q85 HydrophobicContact CB-CB 4.28Å; D82-Q85 HydrophobicContact CB-CG 4.01Å; D82-Q85 VanDerWaalsContact CB-NE2 3.3Å; D82-Q85 VanDerWaalsContact CG-NE2 3.35Å; D82-Q85 WeakPolarHBondContact O-CB 3.43Å; D82-Q85 PolarHBondContact O-N 3.06Å; D82-Q85 VanDerWaalsContact O-N 3.12Å; D82-Q85 WeakPolarHBondContact OD2-CG 3.18Å; D82-Q85 PolarHBondContact OD2-NE2 3.07Å; V83-Q85 PolarHBondContact O-N 3.07Å; Q85-I90 CarbonylContact O-C 3.53Å; Q85-I91 WeakPolarHBondContact O-CA 3.38Å; Q85-I91 PolarHBondContact O-N 3.36Å; Q85-W94 HydrophobicContact CB-CB 4.25Å; Q85-W94 HydrophobicContact CB-CG 4.36Å
86	L	80.7	Confident	89.1	Confident	15 Å²	15	41.3 Å²	41.3	8%	0.079	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-95	-3.4	-176.2	-59.5	-177	0	0	0	114.1	W80 L81 V83 E84 W94 I255	W80-L86 HydrophobicContact CZ3-CD1 4.45Å; L81-L86 HydrophobicContact CD1-CD1 3.79Å; V83-L86 PolarHBondContact O-N 3.04Å; V83-L86 VanDerWaalsContact O-N 3.12Å; E84-L86 VanDerWaalsContact C-N 3.28Å; E84-L86 PolarHBondContact O-N 3.04Å; L86-W94 HydrophobicContact CD2-CD2 4.05Å; L86-W94 HydrophobicContact CD2-CE3 4.28Å; L86-W94 HydrophobicContact CD2-CG 4.43Å; L86-W94 HydrophobicContact CD2-CZ2 4.46Å; L86-I255 HydrophobicContact CB-CD1 4.06Å; L86-I255 HydrophobicContact CD1-CD1 4.32Å
87	V	82.5	Confident	89.1	Confident	62 Å²	62	39.6 Å²	39.6	38%	0.376	21%	0.21	S	C	.	.	S	Bend	trans	-72.2	157.8	179.2	-54.6	0	0	0	0	111.9	E84 I90 I91	E84-V87 WeakPolarHBondContact O-CG2 3.25Å; V87-I90 HydrophobicContact CG2-CB 3.96Å; V87-I90 HydrophobicContact CG2-CD1 3.6Å; V87-I90 HydrophobicContact CG2-CG1 3.79Å; V87-I90 PolarHBondContact O-N 2.9Å; V87-I91 PolarHBondContact O-N 3.07Å
88	P	81.6	Confident	89.1	Confident	70 Å²	70	37 Å²	37	46%	0.455	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	145.6	177	-29.1	36.3	0	0	0	112.8	I90 L254	P88-I90 PolarHBondContact O-N 2.8Å; P88-L254 HydrophobicContact CG-CB 4.04Å
89	I	79.9	Confident	89.2	Confident	109 Å²	109	39.2 Å²	39.2	56%	0.559	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.1	-44.3	-175.3	-43.5	175.3	0	0	0	113.2	I68	I68-I89 HydrophobicContact CD1-CB 4.38Å; I68-I89 HydrophobicContact CD1-CG2 3.53Å
90	I	87	Confident	89.3	Confident	69 Å²	69	39.5 Å²	39.5	35%	0.354	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-33.6	179.5	-53.9	-174	0	0	0	111.8	I68 Q85 V87 P88 D92 C93 W94	I68-I90 HydrophobicContact CD1-CG1 4.36Å; Q85-I90 CarbonylContact O-C 3.53Å; V87-I90 HydrophobicContact CG2-CB 3.96Å; V87-I90 HydrophobicContact CG2-CD1 3.6Å; V87-I90 HydrophobicContact CG2-CG1 3.79Å; V87-I90 PolarHBondContact O-N 2.9Å; P88-I90 PolarHBondContact O-N 2.8Å; I90-D92 PolarHBondContact O-N 2.78Å; I90-C93 WeakPolarHBondContact O-CA 3.42Å; I90-C93 VanDerWaalsContact O-CB 3.26Å; I90-C93 WeakPolarHBondContact O-CB 3.48Å; I90-C93 PolarHBondContact O-N 3.38Å; I90-W94 PolarHBondContact O-N 2.89Å
91	I	90	Very high	89.4	Confident	5 Å²	5	41.6 Å²	41.6	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-54.2	-30.8	179	-165.6	170	0	0	0	113.4	Q85 V87 C93 W94 I95 I255 K259 I260	Q85-I91 WeakPolarHBondContact O-CA 3.38Å; Q85-I91 PolarHBondContact O-N 3.36Å; V87-I91 PolarHBondContact O-N 3.07Å; I91-C93 VanDerWaalsContact C-N 3.3Å; I91-C93 PolarHBondContact O-N 2.95Å; I91-W94 HydrophobicContact CG1-CE3 4.46Å; I91-W94 PolarHBondContact O-N 3.13Å; I91-I95 HydrophobicContact CG1-CD1 4.06Å; I91-I95 HydrophobicContact CG1-CG1 4.28Å; I91-I95 WeakPolarHBondContact O-CB 3.47Å; I91-I95 VanDerWaalsContact O-CG1 3.23Å; I91-I95 WeakPolarHBondContact O-CG1 3.28Å; I91-I95 PolarHBondContact O-N 2.79Å; I91-I255 HydrophobicContact CD1-CB 4.41Å; I91-I255 HydrophobicContact CD1-CD1 4.35Å; I91-I255 HydrophobicContact CD1-CG1 4.1Å; I91-I255 HydrophobicContact CD1-CG2 3.76Å; I91-K259 HydrophobicContact CG2-CD 4.36Å; I91-I260 HydrophobicContact CD1-CD1 4.47Å
92	D	92.4	Very high	89.9	Confident	33 Å²	33	42.3 Å²	42.3	18%	0.176	22%	0.218	C	C	.	.	H	α-helix	trans	-65.9	-35.8	177.6	-64.9	-13.2	0	0	0	110.9	V65 H66 I90 D96 K259	V65-D92 HydrophobicContact CG2-CB 4.1Å; V65-D92 WeakPolarHBondContact CG2-O 3.19Å; H66-D92 IonicContact CD2-OD2 2.74Å; H66-D92 IonicContact CE1-OD2 2.6Å; H66-D92 IonicContact NE2-OD2 3.54Å; H66-D92 PolarHBondContact NE2-OD2 2.7Å; I90-D92 PolarHBondContact O-N 2.78Å; D92-D96 PolarHBondContact O-N 3.19Å; D92-D96 VanDerWaalsContact O-N 3.12Å; D92-K259 VanDerWaalsContact CG-NZ 3.28Å; D92-K259 IonicContact OD1-NZ 3.23Å; D92-K259 PolarHBondContact OD1-NZ 3.39Å; D92-K259 IonicContact OD2-NZ 3.24Å; D92-K259 PolarHBondContact OD2-NZ 3.45Å
93	C	94.8	Very high	90.6	Very high	13 Å²	13	43.1 Å²	43.1	9%	0.088	22%	0.223	C	C	.	.	H	α-helix	trans	-68.1	-41.6	173.2	-52.8	0	0	0	0	111.6	C69 I90 I91 D96 N97	C69-C93 WeakPolarHBondContact CA-SG 3.28Å; C69-C93 HydrophobicContact CB-CB 3.71Å; C69-C93 WeakPolarHBondContact CB-SG 3.49Å; C69-C93 WeakPolarHBondContact SG-CA 3.11Å; C69-C93 WeakPolarHBondContact SG-CB 3.3Å; C69-C93 CovalentContact SG-SG 2.04Å; C69-C93 PolarHBondContact SG-SG 3.26Å; I90-C93 WeakPolarHBondContact O-CA 3.42Å; I90-C93 VanDerWaalsContact O-CB 3.26Å; I90-C93 WeakPolarHBondContact O-CB 3.48Å; I90-C93 PolarHBondContact O-N 3.38Å; I91-C93 VanDerWaalsContact C-N 3.3Å; I91-C93 PolarHBondContact O-N 2.95Å; C93-D96 PolarHBondContact O-N 2.94Å; C93-N97 VanDerWaalsContact O-CG 3.27Å; C93-N97 PolarHBondContact O-N 3.3Å; C93-N97 PolarHBondContact O-ND2 3.26Å
94	W	95.1	Very high	91.3	Very high	7 Å²	7	44.7 Å²	44.7	3%	0.027	23%	0.229	C	C	.	.	H	α-helix	trans	-62.8	-47.8	176.7	178.2	86.5	0	0	0	111.2	L79 W80 Q85 L86 I90 I91 D96 N97 M98 I260 Q263	L79-W94 PolarHBondContact O-NE1 3.32Å; W80-W94 AromaticContact CE3-CZ2 3.86Å; W80-W94 HydrophobicContact CE3-CZ2 3.86Å; W80-W94 HydrophobicContact CZ3-CZ2 4.15Å; Q85-W94 HydrophobicContact CB-CB 4.25Å; Q85-W94 HydrophobicContact CB-CG 4.36Å; L86-W94 HydrophobicContact CD2-CD2 4.05Å; L86-W94 HydrophobicContact CD2-CE3 4.28Å; L86-W94 HydrophobicContact CD2-CG 4.43Å; L86-W94 HydrophobicContact CD2-CZ2 4.46Å; I90-W94 PolarHBondContact O-N 2.89Å; I91-W94 HydrophobicContact CG1-CE3 4.46Å; I91-W94 PolarHBondContact O-N 3.13Å; W94-D96 VanDerWaalsContact C-N 3.34Å; W94-D96 PolarHBondContact O-N 3.41Å; W94-N97 PolarHBondContact O-N 2.97Å; W94-N97 VanDerWaalsContact O-N 3.1Å; W94-M98 HydrophobicContact CD2-CB 4.17Å; W94-M98 HydrophobicContact CE3-CB 4.41Å; W94-M98 HydrophobicContact CH2-CB 4.36Å; W94-M98 HydrophobicContact CH2-CG 3.89Å; W94-M98 HydrophobicContact CZ2-CB 4.14Å; W94-M98 HydrophobicContact CZ2-CE 3.49Å; W94-M98 VanDerWaalsContact CZ2-CE 3.49Å; W94-M98 HydrophobicContact CZ2-CG 3.67Å; W94-M98 HydrophobicContact CZ2-SD 4.46Å; W94-M98 HydrophobicContact CZ3-CB 4.47Å; W94-M98 HydrophobicContact CZ3-CG 4.44Å; W94-M98 WeakPolarHBondContact O-CB 3.45Å; W94-M98 PolarHBondContact O-N 2.73Å; W94-I260 HydrophobicContact CE3-CD1 4.4Å; W94-I260 HydrophobicContact CH2-CD1 4.06Å; W94-I260 HydrophobicContact CZ3-CD1 3.47Å; W94-I260 VanDerWaalsContact CZ3-CD1 3.47Å; W94-Q263 HydrophobicContact CH2-CG 3.93Å; W94-Q263 HydrophobicContact CZ3-CB 4.05Å; W94-Q263 HydrophobicContact CZ3-CG 3.72Å
95	I	95.4	Very high	92	Very high	14 Å²	14	44.2 Å²	44.2	7%	0.072	23%	0.23	C	C	.	.	H	α-helix	trans	-55.2	-48.3	176.1	-72	166.6	0	0	0	110.5	I91 N97 M98 R99 K259 S262 Q263	I91-I95 HydrophobicContact CG1-CD1 4.06Å; I91-I95 HydrophobicContact CG1-CG1 4.28Å; I91-I95 WeakPolarHBondContact O-CB 3.47Å; I91-I95 VanDerWaalsContact O-CG1 3.23Å; I91-I95 WeakPolarHBondContact O-CG1 3.28Å; I91-I95 PolarHBondContact O-N 2.79Å; I95-N97 PolarHBondContact O-N 3.4Å; I95-M98 PolarHBondContact O-N 3.4Å; I95-R99 VanDerWaalsContact O-CB 3.3Å; I95-R99 WeakPolarHBondContact O-CB 3.44Å; I95-R99 WeakPolarHBondContact O-CG 3.26Å; I95-R99 PolarHBondContact O-N 2.71Å; I95-K259 HydrophobicContact CD1-CB 4.31Å; I95-K259 WeakPolarHBondContact CD1-O 3.12Å; I95-S262 VanDerWaalsContact CG2-OG 3.31Å; I95-S262 WeakPolarHBondContact CG2-OG 3.49Å; I95-Q263 HydrophobicContact CB-CB 4.49Å; I95-Q263 HydrophobicContact CG1-CB 4.08Å; I95-Q263 HydrophobicContact CG2-CB 4.23Å
96	D	96.4	Very high	92.7	Very high	19 Å²	19	46.6 Å²	46.6	10%	0.102	25%	0.246	C	C	.	.	H	α-helix	trans	-68.7	-18.5	-177.9	-174.3	48.6	0	0	0	113.8	K61 V65 D92 C93 W94 R99 P112	K61-D96 WeakPolarHBondContact CE-OD2 3.4Å; K61-D96 PolarHBondContact NZ-O 3.31Å; K61-D96 IonicContact NZ-OD1 3.91Å; K61-D96 IonicContact NZ-OD2 2.66Å; K61-D96 PolarHBondContact NZ-OD2 2.72Å; V65-D96 HydrophobicContact CG1-CB 3.8Å; V65-D96 HydrophobicContact CG2-CB 4.2Å; D92-D96 PolarHBondContact O-N 3.19Å; D92-D96 VanDerWaalsContact O-N 3.12Å; C93-D96 PolarHBondContact O-N 2.94Å; W94-D96 VanDerWaalsContact C-N 3.34Å; W94-D96 PolarHBondContact O-N 3.41Å; D96-R99 IonicContact OD1-CZ 3.42Å; D96-R99 IonicContact OD1-NE 2.94Å; D96-R99 PolarHBondContact OD1-NE 2.94Å; D96-R99 IonicContact OD1-NH2 2.98Å; D96-R99 PolarHBondContact OD1-NH2 2.97Å; D96-P112 WeakPolarHBondContact O-CG 3.36Å
97	N	97.2	Very high	93.4	Very high	11 Å²	11	49.8 Å²	49.8	6%	0.059	26%	0.26	C	S	.	.	H	α-helix	trans	-91.5	-37.3	172.6	-65.8	-24.1	0	0	0	112	L59 K61 L79 C93 W94 I95	L59-N97 HydrophobicContact CD2-CB 4.46Å; K61-N97 WeakPolarHBondContact CD-OD1 3.49Å; K61-N97 WeakPolarHBondContact CE-OD1 3.39Å; K61-N97 PolarHBondContact NZ-OD1 2.96Å; L79-N97 HydrophobicContact CD1-CB 4.05Å; C93-N97 VanDerWaalsContact O-CG 3.27Å; C93-N97 PolarHBondContact O-N 3.3Å; C93-N97 PolarHBondContact O-ND2 3.26Å; W94-N97 PolarHBondContact O-N 2.97Å; W94-N97 VanDerWaalsContact O-N 3.1Å; I95-N97 PolarHBondContact O-N 3.4Å
98	M	97.1	Very high	94.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-83	-27.1	-173.4	-174.1	61.7	96.6	0	0	113.6	L55 L79 W80 W94 I95 W167 R168 Q263	L55-M98 HydrophobicContact CD1-CE 4.29Å; L55-M98 HydrophobicContact CD1-SD 4.15Å; L79-M98 HydrophobicContact CD2-CB 4.32Å; L79-M98 HydrophobicContact CD2-CE 3.74Å; L79-M98 HydrophobicContact CD2-SD 3.56Å; L79-M98 VanDerWaalsContact CD2-SD 3.56Å; L79-M98 HydrophobicContact CG-CE 3.63Å; L79-M98 HydrophobicContact CG-SD 4.14Å; W80-M98 HydrophobicContact CB-CE 3.68Å; W80-M98 HydrophobicContact CG-CE 4.46Å; W94-M98 HydrophobicContact CD2-CB 4.17Å; W94-M98 HydrophobicContact CE3-CB 4.41Å; W94-M98 HydrophobicContact CH2-CB 4.36Å; W94-M98 HydrophobicContact CH2-CG 3.89Å; W94-M98 HydrophobicContact CZ2-CB 4.14Å; W94-M98 HydrophobicContact CZ2-CE 3.49Å; W94-M98 VanDerWaalsContact CZ2-CE 3.49Å; W94-M98 HydrophobicContact CZ2-CG 3.67Å; W94-M98 HydrophobicContact CZ2-SD 4.46Å; W94-M98 HydrophobicContact CZ3-CB 4.47Å; W94-M98 HydrophobicContact CZ3-CG 4.44Å; W94-M98 WeakPolarHBondContact O-CB 3.45Å; W94-M98 PolarHBondContact O-N 2.73Å; I95-M98 PolarHBondContact O-N 3.4Å; M98-W167 HydrophobicContact CE-CH2 4.06Å; M98-W167 HydrophobicContact CE-CZ2 4.17Å; M98-W167 HydrophobicContact SD-CH2 4.31Å; M98-R168 WeakPolarHBondContact O-CD 3.35Å; M98-R168 PolarHBondContact O-NH1 3.34Å; M98-R168 VanDerWaalsContact SD-CD 3.55Å; M98-R168 HydrophobicContact SD-CG 4.49Å; M98-Q263 HydrophobicContact CB-CG 4.09Å; M98-Q263 HydrophobicContact CG-CG 3.82Å
99	R	97.6	Very high	94.8	Very high	78 Å²	78	45.4 Å²	45.4	29%	0.294	23%	0.233	S	C	.	.			trans	-58.3	148.6	-177.7	67.6	-174.3	177.9	97.5	-3.8	112.4	I95 D96 P112 T266	I95-R99 VanDerWaalsContact O-CB 3.3Å; I95-R99 WeakPolarHBondContact O-CB 3.44Å; I95-R99 WeakPolarHBondContact O-CG 3.26Å; I95-R99 PolarHBondContact O-N 2.71Å; D96-R99 IonicContact OD1-CZ 3.42Å; D96-R99 IonicContact OD1-NE 2.94Å; D96-R99 PolarHBondContact OD1-NE 2.94Å; D96-R99 IonicContact OD1-NH2 2.98Å; D96-R99 PolarHBondContact OD1-NH2 2.97Å; R99-P112 HydrophobicContact CG-CG 3.64Å; R99-P112 WeakPolarHBondContact O-CD 3.41Å; R99-P112 VanDerWaalsContact O-CG 3.3Å; R99-P112 WeakPolarHBondContact O-CG 3.47Å; R99-T266 WeakPolarHBondContact CA-OG1 3.45Å; R99-T266 HydrophobicContact CB-CG2 4.02Å
100	L	98.4	Very high	95.6	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.031	23%	0.23	C	C	.	.			trans	-96.3	152.6	165.7	-68	172.6	0	0	0	110.5	R168 K169 T266 V268	L100-R168 HydrophobicContact CD1-CB 3.73Å; L100-R168 HydrophobicContact CG-CB 4.33Å; L100-K169 HydrophobicContact CD1-CG 3.94Å; L100-T266 WeakPolarHBondContact CB-O 3.35Å; L100-T266 PolarHBondContact N-OG1 3.42Å; L100-T266 VanDerWaalsContact N-OG1 3.12Å; L100-T266 WeakPolarHBondContact O-CB 3.31Å; L100-V268 HydrophobicContact CD1-CG2 4.44Å
101	I	98.1	Very high	96.1	Very high	65 Å²	65	43 Å²	43	33%	0.333	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	109.9	170.9	-57.9	179.4	0	0	0	107.2	S109 D110 P112	I101-S109 VanDerWaalsContact O-CA 3.31Å; I101-S109 WeakPolarHBondContact O-CA 3.34Å; I101-D110 PolarHBondContact N-O 3.28Å; I101-D110 PolarHBondContact O-N 2.07Å; I101-P112 HydrophobicContact CD1-CB 4.36Å
102	Y	98.3	Very high	96.5	Very high	27 Å²	27	42.9 Å²	42.9	11%	0.106	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	133	176.1	179.4	-96	0	0	0	110.8	N104 H107 E310 L313 M314 D317	Y102-N104 HydrophobicContact CE1-CB 4.39Å; Y102-H107 PolarHBondContact OH-ND1 3.14Å; Y102-E310 HydrophobicContact CD1-CB 4.15Å; Y102-E310 HydrophobicContact CD1-CG 4.46Å; Y102-L313 HydrophobicContact CE1-CB 3.79Å; Y102-L313 HydrophobicContact CE1-CD1 4.11Å; Y102-L313 WeakPolarHBondContact OH-CB 3.46Å; Y102-M314 HydrophobicContact CD1-CE 4.44Å; Y102-M314 HydrophobicContact CD2-CE 4.04Å; Y102-M314 HydrophobicContact CD2-CG 3.77Å; Y102-M314 HydrophobicContact CE2-CG 3.89Å; Y102-M314 HydrophobicContact CG-CE 3.71Å; Y102-M314 HydrophobicContact CG-CG 4.1Å; Y102-D317 PolarHBondContact OH-OD2 3.32Å
103	N	97.3	Very high	96.7	Very high	60 Å²	60	46 Å²	46	32%	0.321	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	113.7	178.7	-179.4	-27.4	0	0	0	109.5	I105 T106 H107 T108	N103-I105 PolarHBondContact O-N 3.29Å; N103-I105 WeakPolarHBondContact OD1-CA 3.35Å; N103-I105 WeakPolarHBondContact OD1-CB 3.3Å; N103-I105 PolarHBondContact OD1-N 2.72Å; N103-T106 VanDerWaalsContact CB-OG1 3.31Å; N103-T106 WeakPolarHBondContact CB-OG1 3.49Å; N103-T106 VanDerWaalsContact CG-OG1 3.28Å; N103-T106 PolarHBondContact O-N 2.69Å; N103-T106 PolarHBondContact OD1-N 3.05Å; N103-H107 WeakPolarHBondContact O-CA 3.48Å; N103-H107 PolarHBondContact O-N 3.47Å; N103-T108 PolarHBondContact N-O 3.39Å
104	N	95.3	Very high	96.9	Very high	100 Å²	100	47 Å²	47	54%	0.535	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-11.6	-177.9	65	-2.7	0	0	0	114.7	Y102 L313	Y102-N104 HydrophobicContact CE1-CB 4.39Å; N104-L313 HydrophobicContact CB-CD1 3.88Å
105	I	95.5	Very high	97	Very high	141 Å²	141	47.2 Å²	47.2	72%	0.723	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-46.2	175	-60.5	171.8	0	0	0	109.7	N103	N103-I105 PolarHBondContact O-N 3.29Å; N103-I105 WeakPolarHBondContact OD1-CA 3.35Å; N103-I105 WeakPolarHBondContact OD1-CB 3.3Å; N103-I105 PolarHBondContact OD1-N 2.72Å
106	T	96.1	Very high	97.2	Very high	74 Å²	74	51.9 Å²	51.9	45%	0.454	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-13.3	-176.9	62.2	0	0	0	0	113.2	N103 T108	N103-T106 VanDerWaalsContact CB-OG1 3.31Å; N103-T106 WeakPolarHBondContact CB-OG1 3.49Å; N103-T106 VanDerWaalsContact CG-OG1 3.28Å; N103-T106 PolarHBondContact O-N 2.69Å; N103-T106 PolarHBondContact OD1-N 3.05Å; T106-T108 PolarHBondContact O-N 2.86Å; T106-T108 PolarHBondContact OG1-OG1 2.76Å
107	H	96.2	Very high	97.2	Very high	82 Å²	82	52.3 Å²	52.3	38%	0.38	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	40.1	-173.6	-69.3	-99.3	0	0	0	112.1	Y102 N103 D317	Y102-H107 PolarHBondContact OH-ND1 3.14Å; N103-H107 WeakPolarHBondContact O-CA 3.48Å; N103-H107 PolarHBondContact O-N 3.47Å; H107-D317 WeakPolarHBondContact CB-OD2 3.49Å; H107-D317 IonicContact CE1-OD1 3.78Å; H107-D317 IonicContact CG-OD1 3.79Å; H107-D317 IonicContact CG-OD2 3.72Å; H107-D317 IonicContact ND1-OD1 2.9Å; H107-D317 PolarHBondContact ND1-OD1 3.09Å; H107-D317 IonicContact ND1-OD2 3.17Å; H107-D317 PolarHBondContact ND1-OD2 3.22Å; H107-D317 VanDerWaalsContact ND1-OD2 3.17Å
108	T	96	Very high	97.3	Very high	41 Å²	41	57.5 Å²	57.5	25%	0.252	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	162.7	-179.7	60.2	0	0	0	0	111.8	N103 T106 E173	N103-T108 PolarHBondContact N-O 3.39Å; T106-T108 PolarHBondContact O-N 2.86Å; T106-T108 PolarHBondContact OG1-OG1 2.76Å; T108-E173 WeakPolarHBondContact CA-OE1 3.17Å; T108-E173 WeakPolarHBondContact CB-OE1 3.41Å
109	S	97.4	Very high	97.3	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.3	-176.2	-46.3	0	0	0	0	111.4	I101 K169 E173 V268	I101-S109 VanDerWaalsContact O-CA 3.31Å; I101-S109 WeakPolarHBondContact O-CA 3.34Å; S109-K169 WeakPolarHBondContact O-CE 3.2Å; S109-K169 PolarHBondContact O-NZ 2.77Å; S109-E173 PolarHBondContact N-OE1 2.79Å; S109-E173 PolarHBondContact OG-OE2 2.92Å; S109-V268 WeakPolarHBondContact OG-CG2 3.49Å
110	D	97.1	Very high	97.3	Very high	93 Å²	93	56.5 Å²	56.5	50%	0.497	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	157	178.9	-69.9	-60.6	0	0	0	111.7	I101	I101-D110 PolarHBondContact N-O 3.28Å; I101-D110 PolarHBondContact O-N 2.07Å
111	S	97.4	Very high	97.3	Very high	34 Å²	34	56.8 Å²	56.8	24%	0.238	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-65	157.9	170.2	-64.8	0	0	0	0	110.6	V115	S111-V115 WeakPolarHBondContact CB-O 3.33Å
112	P	97.6	Very high	97.4	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.019	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-61.6	154.4	179.8	-23.5	36.9	0	0	0	112	D96 R99 I101 G114 V115	D96-P112 WeakPolarHBondContact O-CG 3.36Å; R99-P112 HydrophobicContact CG-CG 3.64Å; R99-P112 WeakPolarHBondContact O-CD 3.41Å; R99-P112 VanDerWaalsContact O-CG 3.3Å; R99-P112 WeakPolarHBondContact O-CG 3.47Å; I101-P112 HydrophobicContact CD1-CB 4.36Å; P112-G114 PolarHBondContact O-N 2.81Å; P112-V115 HydrophobicContact CB-CB 4.44Å; P112-V115 HydrophobicContact CB-CG2 3.99Å; P112-V115 HydrophobicContact CG-CG2 4.42Å; P112-V115 WeakPolarHBondContact O-CB 3.35Å; P112-V115 PolarHBondContact O-N 2.96Å
113	P	97.7	Very high	97.4	Very high	97 Å²	97	56.1 Å²	56.1	63%	0.63	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	128	178.3	-27.7	35	0	0	0	112.2	V115	P113-V115 VanDerWaalsContact C-N 3.31Å
114	G	97.6	Very high	97.4	Very high	35 Å²	35	57.5 Å²	57.5	36%	0.361	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	14	-177.8	0	0	0	0	0	114.5	L59 N60 P112	L59-G114 CarbonylContact C-O 3.59Å; L59-G114 WeakPolarHBondContact CA-O 3.29Å; N60-G114 CarbonylContact C-O 3.52Å; N60-G114 PolarHBondContact N-O 2.82Å; N60-G114 WeakPolarHBondContact O-CA 3.33Å; P112-G114 PolarHBondContact O-N 2.81Å
115	V	98.4	Very high	97.6	Very high	12 Å²	12	52.9 Å²	52.9	7%	0.073	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	113.9	173.9	-174.4	0	0	0	0	109.4	L59 K61 S111 P112 P113 I117	L59-V115 HydrophobicContact CD2-CB 4.44Å; L59-V115 HydrophobicContact CD2-CG1 3.96Å; L59-V115 HydrophobicContact CD2-CG2 4.06Å; K61-V115 HydrophobicContact CD-CG2 4.02Å; K61-V115 HydrophobicContact CG-CG2 3.94Å; S111-V115 WeakPolarHBondContact CB-O 3.33Å; P112-V115 HydrophobicContact CB-CB 4.44Å; P112-V115 HydrophobicContact CB-CG2 3.99Å; P112-V115 HydrophobicContact CG-CG2 4.42Å; P112-V115 WeakPolarHBondContact O-CB 3.35Å; P112-V115 PolarHBondContact O-N 2.96Å; P113-V115 VanDerWaalsContact C-N 3.31Å; V115-I117 HydrophobicContact CG1-CD1 4.11Å; V115-I117 HydrophobicContact CG1-CG1 3.99Å
116	E	98.2	Very high	97.7	Very high	111 Å²	111	51.2 Å²	51.2	52%	0.519	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.3	171.4	-174.4	-179.2	172.5	0	0	108.5	A57 K58 F76	A57-E116 CarbonylContact C-O 3.57Å; A57-E116 WeakPolarHBondContact CA-O 3.28Å; K58-E116 HydrophobicContact CB-CB 4.39Å; K58-E116 PolarHBondContact N-O 3.33Å; K58-E116 PolarHBondContact O-N 3.28Å; F76-E116 HydrophobicContact CE1-CG 4.14Å; F76-E116 VanDerWaalsContact CZ-CD 3.5Å; F76-E116 HydrophobicContact CZ-CG 3.93Å; F76-E116 WeakPolarHBondContact CZ-OE1 3.09Å
117	I	97.9	Very high	97.8	Very high	29 Å²	29	47.7 Å²	47.7	15%	0.149	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	136.8	177.2	-69.8	169.7	0	0	0	109.1	L55 E56 A57 L79 V115 R168	L55-I117 HydrophobicContact CB-CG2 4.46Å; L55-I117 HydrophobicContact CD2-CG2 4.4Å; E56-I117 CarbonylContact O-C 3.55Å; E56-I117 VanDerWaalsContact O-CA 3.29Å; E56-I117 WeakPolarHBondContact O-CA 3.38Å; A57-I117 HydrophobicContact CB-CG1 4.1Å; L79-I117 HydrophobicContact CD2-CD1 3.69Å; L79-I117 HydrophobicContact CD2-CG1 4.08Å; V115-I117 HydrophobicContact CG1-CD1 4.11Å; V115-I117 HydrophobicContact CG1-CG1 3.99Å; I117-R168 VanDerWaalsContact CD1-CZ 3.49Å
118	R	97.4	Very high	97.9	Very high	119 Å²	119	43.8 Å²	43.8	45%	0.449	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	157.4	174.4	71.3	-178.8	-174.2	176.2	4.2	111.3	E56 F76 P120	E56-R118 HydrophobicContact CB-CG 3.92Å; E56-R118 PolarHBondContact N-O 2.96Å; E56-R118 PolarHBondContact O-N 3.32Å; E56-R118 IonicContact OE2-CZ 3.58Å; E56-R118 IonicContact OE2-NE 3.57Å; E56-R118 PolarHBondContact OE2-NE 3.17Å; E56-R118 IonicContact OE2-NH2 2.74Å; E56-R118 PolarHBondContact OE2-NH2 2.97Å; F76-R118 HydrophobicContact CD1-CG 3.82Å; F76-R118 HydrophobicContact CE1-CB 4.25Å; F76-R118 HydrophobicContact CE1-CG 3.68Å; F76-R118 HydrophobicContact CZ-CG 4.28Å; R118-P120 WeakPolarHBondContact O-CD 3.31Å
119	V	98.3	Very high	98	Very high	47 Å²	47	42.4 Å²	42.4	29%	0.285	22%	0.223	S	C	.	.			trans	-99.1	109.7	175.5	-175.7	0	0	0	0	108.4	L55 P164 Y165 D166	L55-V119 HydrophobicContact CD2-CG2 3.86Å; V119-P164 HydrophobicContact CG1-CB 3.62Å; V119-P164 HydrophobicContact CG1-CG 3.89Å; V119-Y165 VanDerWaalsContact CG2-C 3.44Å; V119-D166 HydrophobicContact CG2-CB 4.07Å
120	P	98.2	Very high	97.9	Very high	10 Å²	10	43.5 Å²	43.5	7%	0.065	23%	0.228	C	C	.	.			trans	-76.6	156	177.3	35	-38.9	0	0	0	111.9	Q54 E56 R118 S127 P164	Q54-P120 HydrophobicContact CB-CG 3.77Å; Q54-P120 WeakPolarHBondContact O-CD 3.29Å; E56-P120 HydrophobicContact CG-CB 4.29Å; E56-P120 HydrophobicContact CG-CG 4.03Å; R118-P120 WeakPolarHBondContact O-CD 3.31Å; P120-S127 WeakPolarHBondContact O-CB 3.39Å; P120-S127 PolarHBondContact O-OG 2.89Å; P120-S127 VanDerWaalsContact O-OG 3.11Å; P120-P164 WeakPolarHBondContact O-CG 3.4Å
121	G	98.1	Very high	97.8	Very high	12 Å²	12	40 Å²	40	12%	0.124	21%	0.209	C	C	.	.			trans	75.4	26.6	165.8	0	0	0	0	0	116	G123 K124 Y126	G121-G123 PolarHBondContact O-N 3.4Å; G121-K124 CarbonylContact O-C 3.41Å; G121-K124 WeakPolarHBondContact O-CA 3.5Å; G121-K124 WeakPolarHBondContact O-CB 3.47Å; G121-K124 PolarHBondContact O-N 2.95Å; G121-Y126 PolarHBondContact N-OH 2.93Å
122	F	98.7	Very high	97.4	Very high	68 Å²	68	39.8 Å²	39.8	30%	0.298	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	129.7	169.9	-164.6	-85.1	0	0	0	111	K124 A163 P164 Y177 N180 M184	F122-K124 PolarHBondContact O-N 2.78Å; F122-A163 HydrophobicContact CE2-CB 4.16Å; F122-A163 HydrophobicContact CZ-CB 4.47Å; F122-P164 HydrophobicContact CB-CG 4.49Å; F122-Y177 AromaticContact CE2-CD2 3.96Å; F122-Y177 HydrophobicContact CE2-CD2 3.96Å; F122-Y177 AromaticContact CE2-CE2 3.91Å; F122-Y177 HydrophobicContact CE2-CE2 3.91Å; F122-N180 HydrophobicContact CD1-CB 4.47Å; F122-N180 HydrophobicContact CE1-CB 3.75Å; F122-N180 HydrophobicContact CE2-CB 4.21Å; F122-N180 HydrophobicContact CZ-CB 3.6Å; F122-M184 HydrophobicContact CD1-SD 4.47Å; F122-M184 HydrophobicContact CE1-CB 4.28Å; F122-M184 HydrophobicContact CE1-CE 4.16Å; F122-M184 HydrophobicContact CE1-SD 3.95Å; F122-M184 HydrophobicContact CZ-CE 4.15Å
123	G	98.7	Very high	97	Very high	10 Å²	10	42.6 Å²	42.6	10%	0.103	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	-0	-171.3	0	0	0	0	0	114.3	G121 R161 G162 M184	G121-G123 PolarHBondContact O-N 3.4Å; G123-R161 WeakPolarHBondContact O-CD 3.22Å; G123-R161 WeakPolarHBondContact O-CG 3.49Å; G123-G162 WeakPolarHBondContact CA-O 3.39Å; G123-G162 PolarHBondContact N-O 3.32Å; G123-M184 VanDerWaalsContact CA-SD 3.58Å
124	K	98.8	Very high	96.5	Very high	89 Å²	89	42 Å²	42	39%	0.387	22%	0.222	S	C	.	.			trans	-112	159.8	177.8	-55.8	-65.4	-177	180	0	110.4	G121 F122 Y126 D157 G162	G121-K124 CarbonylContact O-C 3.41Å; G121-K124 WeakPolarHBondContact O-CA 3.5Å; G121-K124 WeakPolarHBondContact O-CB 3.47Å; G121-K124 PolarHBondContact O-N 2.95Å; F122-K124 PolarHBondContact O-N 2.78Å; K124-Y126 HydrophobicContact CB-CD1 3.76Å; K124-Y126 HydrophobicContact CB-CE1 3.84Å; K124-Y126 HydrophobicContact CG-CD1 4.5Å; K124-Y126 HydrophobicContact CG-CE1 4.25Å; K124-D157 VanDerWaalsContact CA-OD1 3.24Å; K124-D157 WeakPolarHBondContact CA-OD1 3.44Å; K124-D157 HydrophobicContact CD-CB 3.65Å; K124-D157 WeakPolarHBondContact CD-OD2 3.11Å; K124-D157 IonicContact NZ-OD2 3.6Å; K124-D157 PolarHBondContact NZ-OD2 3.46Å; K124-G162 VanDerWaalsContact O-CA 3.27Å; K124-G162 WeakPolarHBondContact O-CA 3.49Å; K124-G162 PolarHBondContact O-N 3.42Å
125	T	98.6	Very high	96	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.018	23%	0.234	C	C	.	.	S	Bend	trans	-96.5	-29.9	-177.5	45.7	0	0	0	0	112.9	S127 L128 E129 V146 R156 D157 V160	T125-S127 VanDerWaalsContact C-N 3.28Å; T125-S127 PolarHBondContact O-N 3.23Å; T125-S127 VanDerWaalsContact O-N 3.1Å; T125-L128 WeakPolarHBondContact O-CD1 3.37Å; T125-L128 WeakPolarHBondContact O-CG 3.43Å; T125-L128 PolarHBondContact O-N 2.75Å; T125-L128 VanDerWaalsContact O-N 3.15Å; T125-E129 WeakPolarHBondContact CB-OE1 3.46Å; T125-E129 WeakPolarHBondContact O-CG 3.39Å; T125-E129 PolarHBondContact O-N 3.11Å; T125-E129 PolarHBondContact OG1-OE1 3.08Å; T125-V146 HydrophobicContact CG2-CG1 4.2Å; T125-V146 HydrophobicContact CG2-CG2 4.34Å; T125-R156 HydrophobicContact CG2-CG 4.46Å; T125-D157 PolarHBondContact N-OD1 3.39Å; T125-D157 PolarHBondContact OG1-OD1 2.89Å; T125-V160 HydrophobicContact CG2-CG2 4.5Å; T125-V160 WeakPolarHBondContact CG2-O 3.47Å
126	Y	98	Very high	95.1	Very high	107 Å²	107	48 Å²	48	42%	0.42	25%	0.246	S	C	.	.	H	α-helix	trans	-56.3	-36.8	-170.9	78.3	-92.7	0	0	0	114.6	G121 K124 L128 E129 F130	G121-Y126 PolarHBondContact N-OH 2.93Å; K124-Y126 HydrophobicContact CB-CD1 3.76Å; K124-Y126 HydrophobicContact CB-CE1 3.84Å; K124-Y126 HydrophobicContact CG-CD1 4.5Å; K124-Y126 HydrophobicContact CG-CE1 4.25Å; Y126-L128 PolarHBondContact O-N 3.31Å; Y126-E129 PolarHBondContact O-N 3.08Å; Y126-F130 PolarHBondContact O-N 3.45Å
127	S	97.6	Very high	94.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-75.4	-13.4	-172.8	61.1	0	0	0	0	113.6	N53 Q54 P120 T125	N53-S127 CarbonylContact C-O 3.59Å; N53-S127 VanDerWaalsContact CA-O 3.25Å; N53-S127 WeakPolarHBondContact CA-O 3.29Å; Q54-S127 PolarHBondContact N-O 3.46Å; P120-S127 WeakPolarHBondContact O-CB 3.39Å; P120-S127 PolarHBondContact O-OG 2.89Å; P120-S127 VanDerWaalsContact O-OG 3.11Å; T125-S127 VanDerWaalsContact C-N 3.28Å; T125-S127 PolarHBondContact O-N 3.23Å; T125-S127 VanDerWaalsContact O-N 3.1Å
128	L	97.9	Very high	93.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-112.3	-18.8	172.8	57.2	80.3	0	0	0	113.1	L46 T125 Y126 F142 V146	L46-L128 HydrophobicContact CB-CD1 4.41Å; L46-L128 HydrophobicContact CB-CD2 4.07Å; L46-L128 HydrophobicContact CD1-CD1 3.94Å; T125-L128 WeakPolarHBondContact O-CD1 3.37Å; T125-L128 WeakPolarHBondContact O-CG 3.43Å; T125-L128 PolarHBondContact O-N 2.75Å; T125-L128 VanDerWaalsContact O-N 3.15Å; Y126-L128 PolarHBondContact O-N 3.31Å; L128-F142 HydrophobicContact CB-CD2 4.23Å; L128-F142 HydrophobicContact CD1-CB 3.3Å; L128-F142 HydrophobicContact CD1-CD1 4.42Å; L128-F142 HydrophobicContact CD1-CD2 4.08Å; L128-F142 HydrophobicContact CD1-CG 3.71Å; L128-F142 HydrophobicContact CG-CB 4.46Å; L128-F142 WeakPolarHBondContact O-CB 3.43Å; L128-F142 PolarHBondContact O-N 2.8Å; L128-V146 HydrophobicContact CD1-CG2 4.34Å
129	E	97.9	Very high	92.6	Very high	12 Å²	12	46.2 Å²	46.2	6%	0.056	26%	0.261	C	S	.	.	H	α-helix	trans	-65.8	-49.7	173.1	-75.6	-174.3	-94.7	0	0	110.9	T125 Y126 Y141 F143 V146 R156	T125-E129 WeakPolarHBondContact CB-OE1 3.46Å; T125-E129 WeakPolarHBondContact O-CG 3.39Å; T125-E129 PolarHBondContact O-N 3.11Å; T125-E129 PolarHBondContact OG1-OE1 3.08Å; Y126-E129 PolarHBondContact O-N 3.08Å; E129-Y141 PolarHBondContact O-N 3.04Å; E129-F143 HydrophobicContact CB-CB 4.12Å; E129-F143 HydrophobicContact CB-CD2 4.49Å; E129-F143 WeakPolarHBondContact O-CB 3.49Å; E129-F143 PolarHBondContact O-N 2.98Å; E129-F143 WeakPolarHBondContact OE2-CD2 3.27Å; E129-V146 HydrophobicContact CG-CB 3.93Å; E129-V146 HydrophobicContact CG-CG1 4.2Å; E129-V146 HydrophobicContact CG-CG2 3.78Å; E129-R156 WeakPolarHBondContact OE1-CD 3.42Å; E129-R156 IonicContact OE1-NE 2.85Å; E129-R156 PolarHBondContact OE1-NE 3.08Å; E129-R156 IonicContact OE2-CZ 3.27Å; E129-R156 VanDerWaalsContact OE2-CZ 3.31Å; E129-R156 IonicContact OE2-NE 2.68Å; E129-R156 PolarHBondContact OE2-NE 2.92Å; E129-R156 IonicContact OE2-NH2 2.72Å; E129-R156 PolarHBondContact OE2-NH2 3.26Å
130	F	96.4	Very high	92.4	Very high	23 Å²	23	47.5 Å²	47.5	10%	0.101	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-129	121.4	176.2	-65.7	-85.2	0	0	0	110.6	Q54 Y126 K135 G139 M140 F143	Q54-F130 PolarHBondContact NE2-O 3.44Å; Y126-F130 PolarHBondContact O-N 3.45Å; F130-K135 HydrophobicContact CB-CG 4.31Å; F130-K135 HydrophobicContact CD1-CB 3.98Å; F130-K135 HydrophobicContact CD1-CG 4.38Å; F130-K135 HydrophobicContact CD2-CB 4.27Å; F130-K135 HydrophobicContact CD2-CD 4.2Å; F130-K135 HydrophobicContact CD2-CG 3.91Å; F130-K135 HydrophobicContact CE1-CB 4.09Å; F130-K135 HydrophobicContact CE2-CB 4.37Å; F130-K135 HydrophobicContact CE2-CD 4.27Å; F130-K135 HydrophobicContact CE2-CG 4.3Å; F130-K135 HydrophobicContact CG-CB 4.07Å; F130-K135 HydrophobicContact CG-CG 3.95Å; F130-K135 HydrophobicContact CZ-CB 4.29Å; F130-G139 CarbonylContact C-O 3.54Å; F130-G139 VanDerWaalsContact CA-O 3.3Å; F130-G139 WeakPolarHBondContact CA-O 3.48Å; F130-M140 HydrophobicContact CD1-CB 4.26Å; F130-M140 HydrophobicContact CE1-CB 4.08Å; F130-M140 HydrophobicContact CE1-CE 3.88Å; F130-M140 HydrophobicContact CE1-CG 4.05Å; F130-M140 HydrophobicContact CZ-CE 4.2Å; F130-F143 HydrophobicContact CD2-CD2 4.27Å; F130-F143 HydrophobicContact CE1-CG 4.43Å; F130-F143 HydrophobicContact CE2-CB 4.03Å; F130-F143 AromaticContact CE2-CD2 3.26Å; F130-F143 HydrophobicContact CE2-CD2 3.26Å; F130-F143 AromaticContact CE2-CE2 3.81Å; F130-F143 HydrophobicContact CE2-CE2 3.81Å; F130-F143 AromaticContact CE2-CG 3.7Å; F130-F143 HydrophobicContact CE2-CG 3.7Å; F130-F143 HydrophobicContact CZ-CB 4Å; F130-F143 HydrophobicContact CZ-CD1 4.05Å; F130-F143 AromaticContact CZ-CD2 3.55Å; F130-F143 HydrophobicContact CZ-CD2 3.55Å; F130-F143 HydrophobicContact CZ-CE1 4.45Å; F130-F143 AromaticContact CZ-CE2 3.99Å; F130-F143 HydrophobicContact CZ-CE2 3.99Å; F130-F143 AromaticContact CZ-CG 3.57Å; F130-F143 HydrophobicContact CZ-CG 3.57Å; F130-F143 HydrophobicContact CZ-CZ 4.41Å
131	L	93.9	Very high	92.3	Very high	20 Å²	20	47.9 Å²	47.9	11%	0.105	27%	0.265	C	S	.	.	S	Bend	trans	-71.4	-34.4	175.8	-54.1	-179.1	0	0	0	111.5	L51 G52 Q54 L81 G139 Y141	L51-L131 WeakPolarHBondContact O-CD1 3.41Å; G52-L131 WeakPolarHBondContact O-CD2 3.14Å; Q54-L131 VanDerWaalsContact CG-O 3.28Å; Q54-L131 WeakPolarHBondContact CG-O 3.41Å; L81-L131 HydrophobicContact CB-CB 3.86Å; L81-L131 WeakPolarHBondContact CB-O 3.44Å; L81-L131 HydrophobicContact CD2-CB 4.41Å; L81-L131 PolarHBondContact N-O 3.12Å; L131-G139 PolarHBondContact N-O 3.42Å; L131-Y141 HydrophobicContact CD2-CD1 4.32Å
132	D	90.2	Very high	92.3	Very high	28 Å²	28	47.3 Å²	47.3	15%	0.15	26%	0.259	C	S	.	.	S	Bend	trans	-96.1	120.8	171.9	-179.4	-10.4	0	0	0	109.7	L81 S134 K135	L81-D132 HydrophobicContact CB-CB 4.48Å; L81-D132 HydrophobicContact CD2-CB 4.4Å; L81-D132 HydrophobicContact CG-CB 4.48Å; D132-S134 PolarHBondContact O-N 2.87Å; D132-S134 VanDerWaalsContact O-N 3.09Å; D132-S134 VanDerWaalsContact OD1-CB 3.26Å; D132-S134 WeakPolarHBondContact OD1-CB 3.38Å; D132-S134 PolarHBondContact OD1-N 3.37Å; D132-S134 PolarHBondContact OD1-OG 3.08Å; D132-S134 VanDerWaalsContact OD1-OG 3.05Å; D132-S134 PolarHBondContact OD2-OG 3.14Å; D132-K135 PolarHBondContact O-N 2.81Å
133	P	87.6	Confident	92.3	Very high	62 Å²	62	46.7 Å²	46.7	40%	0.403	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-20.4	176.1	-23.7	32.9	0	0	0	115.1	T78 K135	T78-P133 HydrophobicContact CG2-CG 3.88Å; P133-K135 PolarHBondContact O-N 3.25Å
134	S	87.8	Confident	92.3	Very high	85 Å²	85	48 Å²	48	59%	0.594	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.8	172.9	79.6	0	0	0	0	113	D132 G136	D132-S134 PolarHBondContact O-N 2.87Å; D132-S134 VanDerWaalsContact O-N 3.09Å; D132-S134 VanDerWaalsContact OD1-CB 3.26Å; D132-S134 WeakPolarHBondContact OD1-CB 3.38Å; D132-S134 PolarHBondContact OD1-N 3.37Å; D132-S134 PolarHBondContact OD1-OG 3.08Å; D132-S134 VanDerWaalsContact OD1-OG 3.05Å; D132-S134 PolarHBondContact OD2-OG 3.14Å; S134-G136 PolarHBondContact O-N 3.3Å; S134-G136 PolarHBondContact OG-N 2.98Å
135	K	86.8	Confident	92.3	Very high	144 Å²	144	43.7 Å²	43.7	63%	0.626	24%	0.243	S	C	*	.			trans	59.8	27.3	-176.8	-54.4	-177.6	-177.8	-176.6	0	113.7	F130 D132 P133	F130-K135 HydrophobicContact CB-CG 4.31Å; F130-K135 HydrophobicContact CD1-CB 3.98Å; F130-K135 HydrophobicContact CD1-CG 4.38Å; F130-K135 HydrophobicContact CD2-CB 4.27Å; F130-K135 HydrophobicContact CD2-CD 4.2Å; F130-K135 HydrophobicContact CD2-CG 3.91Å; F130-K135 HydrophobicContact CE1-CB 4.09Å; F130-K135 HydrophobicContact CE2-CB 4.37Å; F130-K135 HydrophobicContact CE2-CD 4.27Å; F130-K135 HydrophobicContact CE2-CG 4.3Å; F130-K135 HydrophobicContact CG-CB 4.07Å; F130-K135 HydrophobicContact CG-CG 3.95Å; F130-K135 HydrophobicContact CZ-CB 4.29Å; D132-K135 PolarHBondContact O-N 2.81Å; P133-K135 PolarHBondContact O-N 3.25Å
136	G	79.8	Confident	92.3	Very high	30 Å²	30	43.6 Å²	43.6	31%	0.309	24%	0.243	S	C	.	.			trans	-62.2	153.7	166.3	0	0	0	0	0	111.8	S134 V138 G139	S134-G136 PolarHBondContact O-N 3.3Å; S134-G136 PolarHBondContact OG-N 2.98Å; G136-V138 PolarHBondContact O-N 3.44Å; G136-G139 PolarHBondContact O-N 2.68Å; G136-G139 VanDerWaalsContact O-N 3.13Å
137	S	77.8	Confident	92.3	Very high	99 Å²	99	41 Å²	41	69%	0.692	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-59.1	-31	-178.9	52.9	0	0	0	0	113.5	G139 M140	S137-G139 PolarHBondContact O-N 3.2Å; S137-M140 VanDerWaalsContact O-CB 3.31Å; S137-M140 WeakPolarHBondContact O-CB 3.39Å; S137-M140 PolarHBondContact O-N 3.41Å; S137-M140 VanDerWaalsContact O-N 3.08Å
138	V	79.9	Confident	92.3	Very high	120 Å²	120	41.6 Å²	41.6	73%	0.727	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-59.3	-31.8	178.4	177.2	0	0	0	0	112.2	G136	G136-V138 PolarHBondContact O-N 3.44Å
139	G	84.4	Confident	92.4	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.01	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-93.6	2.6	179	0	0	0	0	0	114.2	F130 L131 G136 S137 Y141	F130-G139 CarbonylContact C-O 3.54Å; F130-G139 VanDerWaalsContact CA-O 3.3Å; F130-G139 WeakPolarHBondContact CA-O 3.48Å; L131-G139 PolarHBondContact N-O 3.42Å; G136-G139 PolarHBondContact O-N 2.68Å; G136-G139 VanDerWaalsContact O-N 3.13Å; S137-G139 PolarHBondContact O-N 3.2Å; G139-Y141 PolarHBondContact O-N 3.47Å
140	M	93.2	Very high	92.4	Very high	74 Å²	74	43.1 Å²	43.1	37%	0.365	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-72.2	127	-176.6	-169.8	-177	-69.1	0	0	110.8	F130 S137 F143	F130-M140 HydrophobicContact CD1-CB 4.26Å; F130-M140 HydrophobicContact CE1-CB 4.08Å; F130-M140 HydrophobicContact CE1-CE 3.88Å; F130-M140 HydrophobicContact CE1-CG 4.05Å; F130-M140 HydrophobicContact CZ-CE 4.2Å; S137-M140 VanDerWaalsContact O-CB 3.31Å; S137-M140 WeakPolarHBondContact O-CB 3.39Å; S137-M140 PolarHBondContact O-N 3.41Å; S137-M140 VanDerWaalsContact O-N 3.08Å; M140-F143 HydrophobicContact CE-CD1 3.83Å; M140-F143 HydrophobicContact CE-CE1 4.3Å; M140-F143 HydrophobicContact CG-CB 3.7Å; M140-F143 HydrophobicContact CG-CD1 4.2Å; M140-F143 HydrophobicContact CG-CG 4.32Å; M140-F143 HydrophobicContact SD-CB 4.38Å; M140-F143 HydrophobicContact SD-CD1 3.79Å; M140-F143 HydrophobicContact SD-CG 4.5Å
141	Y	96.8	Very high	92.5	Very high	18 Å²	18	48.6 Å²	48.6	7%	0.071	28%	0.275	C	S	.	.	S	Bend	trans	-132.8	-85.6	-177	-173.8	-127.6	0	0	0	112.3	P48 G49 G52 E129 L131 G139 F143 H201 V398 L401	P48-Y141 HydrophobicContact CB-CE1 3.9Å; G49-Y141 WeakPolarHBondContact CA-OH 3.22Å; G49-Y141 PolarHBondContact N-OH 2.91Å; G52-Y141 VanDerWaalsContact O-CD1 3.26Å; G52-Y141 WeakPolarHBondContact O-CD1 3.45Å; G52-Y141 VanDerWaalsContact O-CE1 3.28Å; G52-Y141 WeakPolarHBondContact O-CE1 3.37Å; E129-Y141 PolarHBondContact O-N 3.04Å; L131-Y141 HydrophobicContact CD2-CD1 4.32Å; G139-Y141 PolarHBondContact O-N 3.47Å; Y141-F143 VanDerWaalsContact C-N 3.3Å; Y141-F143 PolarHBondContact O-N 3.35Å; Y141-H201 AromaticContact CE2-CE1 3.88Å; Y141-H201 AromaticContact CE2-ND1 3.57Å; Y141-H201 AromaticContact CZ-ND1 3.37Å; Y141-H201 PolarHBondContact OH-ND1 2.8Å; Y141-V398 HydrophobicContact CD2-CG1 4.13Å; Y141-V398 HydrophobicContact CE2-CG1 4.4Å; Y141-L401 HydrophobicContact CD2-CD1 3.46Å; Y141-L401 VanDerWaalsContact CD2-CD1 3.46Å; Y141-L401 HydrophobicContact CE1-CD1 4.48Å; Y141-L401 HydrophobicContact CE2-CD1 3.4Å; Y141-L401 VanDerWaalsContact CE2-CD1 3.4Å; Y141-L401 HydrophobicContact CG-CD1 4.09Å
142	F	98.4	Very high	92.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	-82.7	-2.5	176.4	-89.6	-91.2	0	0	0	114.4	L46 P48 L128 T144 I145 V146 H201 L401	L46-F142 HydrophobicContact CB-CD1 4.33Å; L46-F142 HydrophobicContact CB-CE1 4.22Å; L46-F142 HydrophobicContact CD1-CD1 3.93Å; L46-F142 HydrophobicContact CD2-CD1 4.35Å; L46-F142 HydrophobicContact CD2-CE1 4.23Å; L46-F142 HydrophobicContact CG-CD1 4.44Å; P48-F142 HydrophobicContact CB-CE2 4.14Å; L128-F142 HydrophobicContact CB-CD2 4.23Å; L128-F142 HydrophobicContact CD1-CB 3.3Å; L128-F142 HydrophobicContact CD1-CD1 4.42Å; L128-F142 HydrophobicContact CD1-CD2 4.08Å; L128-F142 HydrophobicContact CD1-CG 3.71Å; L128-F142 HydrophobicContact CG-CB 4.46Å; L128-F142 WeakPolarHBondContact O-CB 3.43Å; L128-F142 PolarHBondContact O-N 2.8Å; F142-T144 VanDerWaalsContact C-N 3.28Å; F142-T144 PolarHBondContact O-N 3.19Å; F142-I145 HydrophobicContact CD1-CB 4.29Å; F142-I145 HydrophobicContact CD1-CD1 3.97Å; F142-I145 HydrophobicContact CE1-CD1 4.03Å; F142-I145 PolarHBondContact O-N 3Å; F142-I145 VanDerWaalsContact O-N 3.12Å; F142-V146 HydrophobicContact CB-CG2 4.39Å; F142-V146 WeakPolarHBondContact O-CG2 3.45Å; F142-V146 PolarHBondContact O-N 3.11Å; F142-H201 HydrophobicContact CE2-CB 4.09Å; F142-H201 HydrophobicContact CZ-CB 3.7Å; F142-L401 HydrophobicContact CD2-CD1 4.41Å; F142-L401 HydrophobicContact CE2-CD1 4.35Å; F142-L401 HydrophobicContact CZ-CD2 4.48Å
143	F	98.1	Very high	92.9	Very high	56 Å²	56	50.1 Å²	50.1	25%	0.246	29%	0.288	C	S	.	.	H	α-helix	trans	-50.2	-47.4	-175.5	174.1	-103.5	0	0	0	112.4	E129 F130 M140 Y141 I145 V146 Q147	E129-F143 HydrophobicContact CB-CB 4.12Å; E129-F143 HydrophobicContact CB-CD2 4.49Å; E129-F143 WeakPolarHBondContact O-CB 3.49Å; E129-F143 PolarHBondContact O-N 2.98Å; E129-F143 WeakPolarHBondContact OE2-CD2 3.27Å; F130-F143 HydrophobicContact CD2-CD2 4.27Å; F130-F143 HydrophobicContact CE1-CG 4.43Å; F130-F143 HydrophobicContact CE2-CB 4.03Å; F130-F143 AromaticContact CE2-CD2 3.26Å; F130-F143 HydrophobicContact CE2-CD2 3.26Å; F130-F143 AromaticContact CE2-CE2 3.81Å; F130-F143 HydrophobicContact CE2-CE2 3.81Å; F130-F143 AromaticContact CE2-CG 3.7Å; F130-F143 HydrophobicContact CE2-CG 3.7Å; F130-F143 HydrophobicContact CZ-CB 4Å; F130-F143 HydrophobicContact CZ-CD1 4.05Å; F130-F143 AromaticContact CZ-CD2 3.55Å; F130-F143 HydrophobicContact CZ-CD2 3.55Å; F130-F143 HydrophobicContact CZ-CE1 4.45Å; F130-F143 AromaticContact CZ-CE2 3.99Å; F130-F143 HydrophobicContact CZ-CE2 3.99Å; F130-F143 AromaticContact CZ-CG 3.57Å; F130-F143 HydrophobicContact CZ-CG 3.57Å; F130-F143 HydrophobicContact CZ-CZ 4.41Å; M140-F143 HydrophobicContact CE-CD1 3.83Å; M140-F143 HydrophobicContact CE-CE1 4.3Å; M140-F143 HydrophobicContact CG-CB 3.7Å; M140-F143 HydrophobicContact CG-CD1 4.2Å; M140-F143 HydrophobicContact CG-CG 4.32Å; M140-F143 HydrophobicContact SD-CB 4.38Å; M140-F143 HydrophobicContact SD-CD1 3.79Å; M140-F143 HydrophobicContact SD-CG 4.5Å; Y141-F143 VanDerWaalsContact C-N 3.3Å; Y141-F143 PolarHBondContact O-N 3.35Å; F143-I145 PolarHBondContact O-N 3.12Å; F143-V146 PolarHBondContact O-N 3.44Å; F143-Q147 HydrophobicContact CE1-CB 4.39Å; F143-Q147 HydrophobicContact CE2-CB 4.42Å; F143-Q147 HydrophobicContact CZ-CB 4.24Å; F143-Q147 HydrophobicContact CZ-CG 4.24Å; F143-Q147 WeakPolarHBondContact O-CB 3.42Å; F143-Q147 PolarHBondContact O-N 3.36Å
144	T	98.1	Very high	93.4	Very high	36 Å²	36	47.4 Å²	47.4	22%	0.221	27%	0.27	C	S	.	.	H	α-helix	trans	-64.2	-40.7	-177.2	-49.6	0	0	0	0	112.4	F142 A148 A402 L407	F142-T144 VanDerWaalsContact C-N 3.28Å; F142-T144 PolarHBondContact O-N 3.19Å; T144-A148 VanDerWaalsContact O-CB 3.31Å; T144-A148 WeakPolarHBondContact O-CB 3.26Å; T144-A148 PolarHBondContact O-N 2.6Å; T144-A402 HydrophobicContact CG2-CB 4.04Å; T144-L407 HydrophobicContact CG2-CD1 3.98Å
145	I	98.5	Very high	94	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63	-51.5	174.6	-63.8	-173.9	0	0	0	110.2	F142 F143 Q147 A148 M149 L230 L401 L407 I410	F142-I145 HydrophobicContact CD1-CB 4.29Å; F142-I145 HydrophobicContact CD1-CD1 3.97Å; F142-I145 HydrophobicContact CE1-CD1 4.03Å; F142-I145 PolarHBondContact O-N 3Å; F142-I145 VanDerWaalsContact O-N 3.12Å; F143-I145 PolarHBondContact O-N 3.12Å; I145-Q147 VanDerWaalsContact C-N 3.31Å; I145-Q147 PolarHBondContact O-N 2.86Å; I145-A148 PolarHBondContact O-N 3.34Å; I145-M149 HydrophobicContact CG2-CG 4.44Å; I145-M149 HydrophobicContact CG2-SD 3.92Å; I145-M149 VanDerWaalsContact O-CG 3.26Å; I145-M149 WeakPolarHBondContact O-CG 2.96Å; I145-M149 PolarHBondContact O-N 3.47Å; I145-L230 HydrophobicContact CD1-CD1 3.87Å; I145-L401 HydrophobicContact CD1-CB 4.19Å; I145-L401 HydrophobicContact CD1-CD2 3.71Å; I145-L401 HydrophobicContact CG1-CB 4.47Å; I145-L401 WeakPolarHBondContact CG1-O 3.31Å; I145-L407 HydrophobicContact CB-CD2 4.44Å; I145-L407 HydrophobicContact CG1-CD2 3.93Å; I145-I410 HydrophobicContact CD1-CD1 4.19Å
146	V	98.8	Very high	94.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.3	-41.7	-177.5	177.3	0	0	0	0	110.7	L46 T125 L128 E129 F142 F143 M149 V150 R156	L46-V146 HydrophobicContact CD1-CG2 3.41Å; L46-V146 VanDerWaalsContact CD1-CG2 3.41Å; T125-V146 HydrophobicContact CG2-CG1 4.2Å; T125-V146 HydrophobicContact CG2-CG2 4.34Å; L128-V146 HydrophobicContact CD1-CG2 4.34Å; E129-V146 HydrophobicContact CG-CB 3.93Å; E129-V146 HydrophobicContact CG-CG1 4.2Å; E129-V146 HydrophobicContact CG-CG2 3.78Å; F142-V146 HydrophobicContact CB-CG2 4.39Å; F142-V146 WeakPolarHBondContact O-CG2 3.45Å; F142-V146 PolarHBondContact O-N 3.11Å; F143-V146 PolarHBondContact O-N 3.44Å; V146-M149 PolarHBondContact O-N 3.12Å; V146-V150 WeakPolarHBondContact O-CG2 3.15Å; V146-V150 PolarHBondContact O-N 2.82Å; V146-R156 HydrophobicContact CG1-CG 3.62Å
147	Q	98.6	Very high	95.4	Very high	54 Å²	54	44.6 Å²	44.6	25%	0.252	25%	0.246	S	C	.	.	H	α-helix	trans	-64.6	-45.5	178.7	-177	54.2	31.8	0	0	111.7	F143 I145 M149 V150 E151	F143-Q147 HydrophobicContact CE1-CB 4.39Å; F143-Q147 HydrophobicContact CE2-CB 4.42Å; F143-Q147 HydrophobicContact CZ-CB 4.24Å; F143-Q147 HydrophobicContact CZ-CG 4.24Å; F143-Q147 WeakPolarHBondContact O-CB 3.42Å; F143-Q147 PolarHBondContact O-N 3.36Å; I145-Q147 VanDerWaalsContact C-N 3.31Å; I145-Q147 PolarHBondContact O-N 2.86Å; Q147-M149 VanDerWaalsContact C-N 3.3Å; Q147-M149 PolarHBondContact O-N 2.88Å; Q147-V150 PolarHBondContact O-N 2.86Å; Q147-E151 PolarHBondContact NE2-OE1 3.09Å; Q147-E151 VanDerWaalsContact NE2-OE1 3.1Å; Q147-E151 WeakPolarHBondContact O-CG 3.36Å; Q147-E151 PolarHBondContact O-N 3.1Å
148	A	98.5	Very high	96.4	Very high	11 Å²	11	42.2 Å²	42.2	9%	0.091	23%	0.225	C	C	.	.	H	α-helix	trans	-60.4	-41.1	174.6	0	0	0	0	0	111.6	T144 I145 V150 E151 W152 L407	T144-A148 VanDerWaalsContact O-CB 3.31Å; T144-A148 WeakPolarHBondContact O-CB 3.26Å; T144-A148 PolarHBondContact O-N 2.6Å; I145-A148 PolarHBondContact O-N 3.34Å; A148-V150 PolarHBondContact O-N 3.29Å; A148-E151 WeakPolarHBondContact O-CB 3.49Å; A148-E151 PolarHBondContact O-N 3.16Å; A148-W152 HydrophobicContact CB-CH2 4.02Å; A148-W152 HydrophobicContact CB-CZ2 3.64Å; A148-W152 PolarHBondContact O-N 3.45Å; A148-W152 PolarHBondContact O-NE1 3.25Å; A148-L407 HydrophobicContact CB-CD1 4.36Å; A148-L407 HydrophobicContact CB-CD2 4.11Å
149	M	98.5	Very high	97.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.3	-41.1	175.3	-71.1	177.9	69.5	0	0	112.4	V44 I145 V146 Q147 E151 W152 G153 Y154 V160 L414	V44-M149 HydrophobicContact CB-CE 3.59Å; V44-M149 HydrophobicContact CG1-CE 3.76Å; V44-M149 HydrophobicContact CG1-SD 4.41Å; V44-M149 HydrophobicContact CG2-CE 3.53Å; I145-M149 HydrophobicContact CG2-CG 4.44Å; I145-M149 HydrophobicContact CG2-SD 3.92Å; I145-M149 VanDerWaalsContact O-CG 3.26Å; I145-M149 WeakPolarHBondContact O-CG 2.96Å; I145-M149 PolarHBondContact O-N 3.47Å; V146-M149 PolarHBondContact O-N 3.12Å; Q147-M149 VanDerWaalsContact C-N 3.3Å; Q147-M149 PolarHBondContact O-N 2.88Å; M149-E151 VanDerWaalsContact C-N 3.28Å; M149-E151 PolarHBondContact O-N 3.14Å; M149-W152 HydrophobicContact CB-CE3 4.34Å; M149-W152 HydrophobicContact CG-CE3 3.88Å; M149-W152 HydrophobicContact CG-CZ3 3.74Å; M149-W152 CarbonylContact O-C 3.55Å; M149-W152 WeakPolarHBondContact O-CA 3.43Å; M149-W152 WeakPolarHBondContact O-CB 3.25Å; M149-W152 PolarHBondContact O-N 3.03Å; M149-G153 PolarHBondContact O-N 3.12Å; M149-G153 VanDerWaalsContact O-N 3.16Å; M149-Y154 HydrophobicContact CB-CD2 3.87Å; M149-Y154 HydrophobicContact CB-CG 4.06Å; M149-Y154 HydrophobicContact CE-CD1 3.69Å; M149-Y154 HydrophobicContact CE-CD2 3.93Å; M149-Y154 HydrophobicContact CE-CE1 3.74Å; M149-Y154 HydrophobicContact CE-CE2 3.95Å; M149-Y154 HydrophobicContact CE-CG 3.8Å; M149-Y154 HydrophobicContact CG-CD2 4.4Å; M149-Y154 WeakPolarHBondContact O-CB 3.41Å; M149-Y154 WeakPolarHBondContact O-CD2 3.39Å; M149-Y154 PolarHBondContact O-N 3.06Å; M149-V160 HydrophobicContact CE-CB 3.76Å; M149-V160 HydrophobicContact CE-CG2 3.56Å; M149-V160 HydrophobicContact SD-CG2 3.85Å; M149-L414 HydrophobicContact CE-CD1 4.29Å
150	V	98.5	Very high	97.9	Very high	45 Å²	45	37.4 Å²	37.4	27%	0.273	20%	0.195	S	C	.	.	H	α-helix	trans	-61.9	-39	174.9	168.6	0	0	0	0	111.3	V146 Q147 A148 W152 G153 Y154 R156	V146-V150 WeakPolarHBondContact O-CG2 3.15Å; V146-V150 PolarHBondContact O-N 2.82Å; Q147-V150 PolarHBondContact O-N 2.86Å; A148-V150 PolarHBondContact O-N 3.29Å; V150-W152 PolarHBondContact O-N 3.19Å; V150-G153 WeakPolarHBondContact O-CA 3.38Å; V150-G153 PolarHBondContact O-N 2.98Å; V150-Y154 WeakPolarHBondContact CA-O 3.06Å; V150-R156 HydrophobicContact CG2-CG 3.99Å
151	E	98.1	Very high	98.2	Very high	137 Å²	137	35.2 Å²	35.2	64%	0.64	18%	0.183	S	C	*	.	H	α-helix	trans	-65.6	-25.4	172.6	-69.3	166.4	-165.5	0	0	112.9	Q147 A148 M149 G153	Q147-E151 PolarHBondContact NE2-OE1 3.09Å; Q147-E151 VanDerWaalsContact NE2-OE1 3.1Å; Q147-E151 WeakPolarHBondContact O-CG 3.36Å; Q147-E151 PolarHBondContact O-N 3.1Å; A148-E151 WeakPolarHBondContact O-CB 3.49Å; A148-E151 PolarHBondContact O-N 3.16Å; M149-E151 VanDerWaalsContact C-N 3.28Å; M149-E151 PolarHBondContact O-N 3.14Å; E151-G153 VanDerWaalsContact C-N 3.25Å
152	W	97.4	Very high	98.3	Very high	44 Å²	44	34.4 Å²	34.4	17%	0.167	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	4.5	171.2	-48.9	-21.9	0	0	0	113.3	A148 M149 V150 L407 I410 K411 L414 F415	A148-W152 HydrophobicContact CB-CH2 4.02Å; A148-W152 HydrophobicContact CB-CZ2 3.64Å; A148-W152 PolarHBondContact O-N 3.45Å; A148-W152 PolarHBondContact O-NE1 3.25Å; M149-W152 HydrophobicContact CB-CE3 4.34Å; M149-W152 HydrophobicContact CG-CE3 3.88Å; M149-W152 HydrophobicContact CG-CZ3 3.74Å; M149-W152 CarbonylContact O-C 3.55Å; M149-W152 WeakPolarHBondContact O-CA 3.43Å; M149-W152 WeakPolarHBondContact O-CB 3.25Å; M149-W152 PolarHBondContact O-N 3.03Å; V150-W152 PolarHBondContact O-N 3.19Å; W152-L407 HydrophobicContact CH2-CB 4.39Å; W152-L407 VanDerWaalsContact CH2-O 3.3Å; W152-L407 WeakPolarHBondContact CH2-O 3.42Å; W152-L407 HydrophobicContact CZ2-CB 4.36Å; W152-I410 HydrophobicContact CH2-CG2 4.43Å; W152-I410 HydrophobicContact CZ3-CG2 4.07Å; W152-K411 HydrophobicContact CD2-CB 4.32Å; W152-K411 HydrophobicContact CD2-CD 4.09Å; W152-K411 HydrophobicContact CD2-CG 4Å; W152-K411 HydrophobicContact CE3-CB 4.28Å; W152-K411 HydrophobicContact CE3-CG 4.27Å; W152-K411 HydrophobicContact CG-CD 4.33Å; W152-K411 HydrophobicContact CG-CG 4.48Å; W152-K411 HydrophobicContact CH2-CB 3.8Å; W152-K411 HydrophobicContact CZ2-CB 3.83Å; W152-K411 HydrophobicContact CZ2-CD 4.1Å; W152-K411 HydrophobicContact CZ2-CG 4.23Å; W152-K411 HydrophobicContact CZ3-CB 4.03Å; W152-L414 HydrophobicContact CE3-CD1 4.34Å; W152-L414 HydrophobicContact CZ3-CD1 4.17Å; W152-F415 HydrophobicContact CB-CE2 3.84Å; W152-F415 HydrophobicContact CB-CZ 3.82Å; W152-F415 HydrophobicContact CD2-CE2 4.43Å; W152-F415 HydrophobicContact CE3-CE2 4.25Å; W152-F415 HydrophobicContact CG-CE2 4.28Å
153	G	96.6	Very high	98.3	Very high	36 Å²	36	34.4 Å²	34.4	37%	0.371	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.7	3.1	173.6	0	0	0	0	0	115.5	R41 M149 V150 E151	R41-G153 PolarHBondContact NH1-O 3.32Å; R41-G153 PolarHBondContact NH2-O 3.27Å; M149-G153 PolarHBondContact O-N 3.12Å; M149-G153 VanDerWaalsContact O-N 3.16Å; V150-G153 WeakPolarHBondContact O-CA 3.38Å; V150-G153 PolarHBondContact O-N 2.98Å; E151-G153 VanDerWaalsContact C-N 3.25Å
154	Y	98.2	Very high	98.4	Very high	5 Å²	5	31.8 Å²	31.8	2%	0.02	17%	0.169	C	C	.	.			trans	-67.4	158.7	171.6	-74.3	-97.4	0	0	0	111.7	R41 P42 V44 M149 V150 D159 V160 L414 F415	R41-Y154 HydrophobicContact CG-CE1 4.35Å; R41-Y154 HydrophobicContact CG-CE2 4.46Å; P42-Y154 VanDerWaalsContact O-CE1 3.29Å; P42-Y154 WeakPolarHBondContact O-CE1 3.43Å; P42-Y154 PolarHBondContact O-OH 3.05Å; V44-Y154 HydrophobicContact CB-CE1 4.36Å; V44-Y154 HydrophobicContact CG2-CE1 3.66Å; M149-Y154 HydrophobicContact CB-CD2 3.87Å; M149-Y154 HydrophobicContact CB-CG 4.06Å; M149-Y154 HydrophobicContact CE-CD1 3.69Å; M149-Y154 HydrophobicContact CE-CD2 3.93Å; M149-Y154 HydrophobicContact CE-CE1 3.74Å; M149-Y154 HydrophobicContact CE-CE2 3.95Å; M149-Y154 HydrophobicContact CE-CG 3.8Å; M149-Y154 HydrophobicContact CG-CD2 4.4Å; M149-Y154 WeakPolarHBondContact O-CB 3.41Å; M149-Y154 WeakPolarHBondContact O-CD2 3.39Å; M149-Y154 PolarHBondContact O-N 3.06Å; V150-Y154 WeakPolarHBondContact CA-O 3.06Å; Y154-D159 WeakPolarHBondContact CA-OD1 3.47Å; Y154-D159 HydrophobicContact CD1-CB 4.24Å; Y154-D159 WeakPolarHBondContact CD1-OD1 3.38Å; Y154-V160 HydrophobicContact CD1-CB 4.07Å; Y154-L414 HydrophobicContact CE2-CD1 4.04Å; Y154-F415 HydrophobicContact CE2-CE2 4.46Å; Y154-F415 HydrophobicContact CE2-CZ 4.3Å
155	T	98.4	Very high	98.4	Very high	78 Å²	78	30.2 Å²	30.2	48%	0.479	16%	0.159	S	C	.	.			trans	-120.8	117.6	177	-57.2	0	0	0	0	109	D157 D158 D159 V160	T155-D157 PolarHBondContact O-N 2.91Å; T155-D158 HydrophobicContact CG2-CB 4.16Å; T155-D158 PolarHBondContact O-N 3.06Å; T155-D158 VanDerWaalsContact O-N 3.11Å; T155-D159 PolarHBondContact N-OD1 2.77Å; T155-D159 PolarHBondContact O-N 3.42Å; T155-D159 VanDerWaalsContact O-OD1 3.13Å; T155-V160 PolarHBondContact O-N 3.09Å
156	R	98.7	Very high	98.4	Very high	74 Å²	74	31 Å²	31	28%	0.279	16%	0.163	S	C	.	.	B	Isolated β-bridge	trans	-48.7	138	174	-76.4	-178.1	176.6	84.5	2.6	110.6	T125 E129 V146 V150 D158	T125-R156 HydrophobicContact CG2-CG 4.46Å; E129-R156 WeakPolarHBondContact OE1-CD 3.42Å; E129-R156 IonicContact OE1-NE 2.85Å; E129-R156 PolarHBondContact OE1-NE 3.08Å; E129-R156 IonicContact OE2-CZ 3.27Å; E129-R156 VanDerWaalsContact OE2-CZ 3.31Å; E129-R156 IonicContact OE2-NE 2.68Å; E129-R156 PolarHBondContact OE2-NE 2.92Å; E129-R156 IonicContact OE2-NH2 2.72Å; E129-R156 PolarHBondContact OE2-NH2 3.26Å; V146-R156 HydrophobicContact CG1-CG 3.62Å; V150-R156 HydrophobicContact CG2-CG 3.99Å; R156-D158 PolarHBondContact O-N 2.83Å; R156-D158 VanDerWaalsContact O-N 3.12Å
157	D	98.6	Very high	98.4	Very high	48 Å²	48	31.1 Å²	31.1	26%	0.257	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	6.6	177	-46.5	-23.1	0	0	0	114.9	K124 T125 T155 V160 R161	K124-D157 VanDerWaalsContact CA-OD1 3.24Å; K124-D157 WeakPolarHBondContact CA-OD1 3.44Å; K124-D157 HydrophobicContact CD-CB 3.65Å; K124-D157 WeakPolarHBondContact CD-OD2 3.11Å; K124-D157 IonicContact NZ-OD2 3.6Å; K124-D157 PolarHBondContact NZ-OD2 3.46Å; T125-D157 PolarHBondContact N-OD1 3.39Å; T125-D157 PolarHBondContact OG1-OD1 2.89Å; T155-D157 PolarHBondContact O-N 2.91Å; D157-V160 PolarHBondContact N-O 3.39Å; D157-R161 PolarHBondContact O-NE 3.33Å
158	D	98.1	Very high	98.4	Very high	50 Å²	50	28.6 Å²	28.6	27%	0.267	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117	-86.3	174.1	-168	20.1	0	0	0	111.6	T155 R156 R161 K191	T155-D158 HydrophobicContact CG2-CB 4.16Å; T155-D158 PolarHBondContact O-N 3.06Å; T155-D158 VanDerWaalsContact O-N 3.11Å; R156-D158 PolarHBondContact O-N 2.83Å; R156-D158 VanDerWaalsContact O-N 3.12Å; D158-R161 WeakPolarHBondContact O-CG 3.41Å; D158-R161 PolarHBondContact O-NE 3.02Å; D158-R161 IonicContact OD1-NH2 3.61Å; D158-K191 IonicContact OD1-NZ 3.94Å; D158-K191 PolarHBondContact OD1-NZ 2.03Å; D158-K191 IonicContact OD2-NZ 3.83Å; D158-K191 PolarHBondContact OD2-NZ 3.38Å
159	D	97.8	Very high	98.4	Very high	20 Å²	20	29.5 Å²	29.5	11%	0.107	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-4.8	179.6	65.7	-4.3	0	0	0	112.8	R41 P43 V44 Y154 T155	R41-D159 IonicContact CZ-OD2 3.25Å; R41-D159 VanDerWaalsContact CZ-OD2 3.27Å; R41-D159 IonicContact NE-OD2 3.18Å; R41-D159 PolarHBondContact NE-OD2 3.48Å; R41-D159 IonicContact NH2-OD2 2.83Å; R41-D159 PolarHBondContact NH2-OD2 3.49Å; P43-D159 CarbonylContact C-O 3.57Å; P43-D159 WeakPolarHBondContact CA-O 3.38Å; V44-D159 PolarHBondContact N-O 3.18Å; Y154-D159 WeakPolarHBondContact CA-OD1 3.47Å; Y154-D159 HydrophobicContact CD1-CB 4.24Å; Y154-D159 WeakPolarHBondContact CD1-OD1 3.38Å; T155-D159 PolarHBondContact N-OD1 2.77Å; T155-D159 PolarHBondContact O-N 3.42Å; T155-D159 VanDerWaalsContact O-OD1 3.13Å
160	V	98.8	Very high	98.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	118.8	159.3	59.7	0	0	0	0	110.1	V44 L46 T125 M149 Y154 T155 D157	V44-V160 HydrophobicContact CB-CG2 4.45Å; V44-V160 WeakPolarHBondContact O-CA 3.07Å; L46-V160 HydrophobicContact CD1-CG2 3.92Å; L46-V160 HydrophobicContact CG-CG2 4.12Å; T125-V160 HydrophobicContact CG2-CG2 4.5Å; T125-V160 WeakPolarHBondContact CG2-O 3.47Å; M149-V160 HydrophobicContact CE-CB 3.76Å; M149-V160 HydrophobicContact CE-CG2 3.56Å; M149-V160 HydrophobicContact SD-CG2 3.85Å; Y154-V160 HydrophobicContact CD1-CB 4.07Å; T155-V160 PolarHBondContact O-N 3.09Å; D157-V160 PolarHBondContact N-O 3.39Å
161	R	98.9	Very high	98.3	Very high	28 Å²	28	27.7 Å²	27.7	11%	0.106	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	150.6	-177.4	-62.2	-166.3	-170.7	179.2	2.1	112.1	V44 V45 L46 G123 D157 D158 M184 E187 M188	V44-R161 PolarHBondContact O-N 2.85Å; V45-R161 CarbonylContact C-O 3.55Å; V45-R161 WeakPolarHBondContact CA-O 3.47Å; L46-R161 PolarHBondContact N-O 3.1Å; G123-R161 WeakPolarHBondContact O-CD 3.22Å; G123-R161 WeakPolarHBondContact O-CG 3.49Å; D157-R161 PolarHBondContact O-NE 3.33Å; D158-R161 WeakPolarHBondContact O-CG 3.41Å; D158-R161 PolarHBondContact O-NE 3.02Å; D158-R161 IonicContact OD1-NH2 3.61Å; R161-M184 HydrophobicContact CB-SD 3.98Å; R161-E187 IonicContact CZ-OE1 2.98Å; R161-E187 VanDerWaalsContact CZ-OE1 3.27Å; R161-E187 VanDerWaalsContact NH1-CD 3.34Å; R161-E187 IonicContact NH1-OE1 2.72Å; R161-E187 PolarHBondContact NH1-OE1 2.95Å; R161-E187 IonicContact NH1-OE2 2.66Å; R161-E187 PolarHBondContact NH1-OE2 3.09Å; R161-E187 IonicContact NH2-OE1 3Å; R161-E187 PolarHBondContact NH2-OE1 2.71Å; R161-M188 HydrophobicContact CB-CE 4.04Å; R161-M188 HydrophobicContact CB-SD 3.95Å; R161-M188 HydrophobicContact CG-CE 3.82Å; R161-M188 HydrophobicContact CG-SD 3.85Å
162	G	98.9	Very high	98.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	144.9	173.3	0	0	0	0	0	113.4	G123 K124 P164	G123-G162 WeakPolarHBondContact CA-O 3.39Å; G123-G162 PolarHBondContact N-O 3.32Å; K124-G162 VanDerWaalsContact O-CA 3.27Å; K124-G162 WeakPolarHBondContact O-CA 3.49Å; K124-G162 PolarHBondContact O-N 3.42Å; G162-P164 VanDerWaalsContact O-CD 3.3Å; G162-P164 WeakPolarHBondContact O-CD 3.21Å
163	A	98.9	Very high	98.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.121	C	C	.	.			trans	-116.6	68.5	170.3	0	0	0	0	0	110.3	V45 L46 I47 P48 F122 Y177 L181 M184	V45-A163 HydrophobicContact CG1-CB 3.86Å; L46-A163 PolarHBondContact O-N 2.99Å; I47-A163 HydrophobicContact CG1-CB 4.25Å; P48-A163 WeakPolarHBondContact CD-O 3.3Å; F122-A163 HydrophobicContact CE2-CB 4.16Å; F122-A163 HydrophobicContact CZ-CB 4.47Å; A163-Y177 HydrophobicContact CB-CE2 4.05Å; A163-Y177 WeakPolarHBondContact O-CE2 3.37Å; A163-Y177 PolarHBondContact O-OH 2.82Å; A163-L181 HydrophobicContact CB-CD1 3.88Å; A163-M184 HydrophobicContact CB-CE 3.94Å
164	P	98.8	Very high	98.1	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.013	11%	0.109	C	C	.	.			trans	-65.9	155	174.7	32.4	-38.6	0	0	0	111.4	N53 V119 P120 F122 G162	N53-P164 HydrophobicContact CB-CB 3.54Å; N53-P164 VanDerWaalsContact CG-CB 3.42Å; V119-P164 HydrophobicContact CG1-CB 3.62Å; V119-P164 HydrophobicContact CG1-CG 3.89Å; P120-P164 WeakPolarHBondContact O-CG 3.4Å; F122-P164 HydrophobicContact CB-CG 4.49Å; G162-P164 VanDerWaalsContact O-CD 3.3Å; G162-P164 WeakPolarHBondContact O-CD 3.21Å
165	Y	98.8	Very high	97.4	Very high	3 Å²	3	29.4 Å²	29.4	1%	0.012	14%	0.143	C	C	.	.			trans	-147.1	173.4	179.4	56.7	-88.3	0	0	0	111.7	I47 P48 N53 V119 W167 Y177 M203 G204 Y207	I47-Y165 HydrophobicContact CG2-CE1 3.96Å; P48-Y165 HydrophobicContact CG-CD1 4.38Å; P48-Y165 HydrophobicContact CG-CE1 4.07Å; P48-Y165 WeakPolarHBondContact O-CE1 3.01Å; P48-Y165 PolarHBondContact O-OH 3.37Å; N53-Y165 PolarHBondContact ND2-O 3Å; N53-Y165 PolarHBondContact OD1-N 3.43Å; N53-Y165 VanDerWaalsContact OD1-N 3.12Å; N53-Y165 PolarHBondContact OD1-O 2.92Å; V119-Y165 VanDerWaalsContact CG2-C 3.44Å; Y165-W167 HydrophobicContact CD2-CB 4.21Å; Y165-W167 HydrophobicContact CE2-CB 3.82Å; Y165-W167 PolarHBondContact O-N 3.22Å; Y165-Y177 HydrophobicContact CD1-CE2 4.01Å; Y165-Y177 AromaticContact CD1-CZ 3.95Å; Y165-Y177 HydrophobicContact CG-CE2 4.29Å; Y165-M203 HydrophobicContact CE2-CE 4Å; Y165-G204 PolarHBondContact OH-N 2.96Å; Y165-Y207 HydrophobicContact CD2-CD1 4.35Å; Y165-Y207 HydrophobicContact CD2-CD2 4.43Å; Y165-Y207 AromaticContact CD2-CE1 3.88Å; Y165-Y207 HydrophobicContact CD2-CE1 3.88Å; Y165-Y207 AromaticContact CD2-CE2 3.96Å; Y165-Y207 HydrophobicContact CD2-CE2 3.96Å; Y165-Y207 AromaticContact CD2-CZ 3.67Å; Y165-Y207 HydrophobicContact CE1-CD2 4.5Å; Y165-Y207 HydrophobicContact CE1-CG 4.4Å; Y165-Y207 HydrophobicContact CE2-CD1 4.35Å; Y165-Y207 AromaticContact CE2-CD2 3.68Å; Y165-Y207 HydrophobicContact CE2-CD2 3.68Å; Y165-Y207 HydrophobicContact CE2-CE1 4.08Å; Y165-Y207 AromaticContact CE2-CE2 3.36Å; Y165-Y207 HydrophobicContact CE2-CE2 3.36Å; Y165-Y207 HydrophobicContact CE2-CG 4.16Å; Y165-Y207 AromaticContact CE2-CZ 3.59Å; Y165-Y207 HydrophobicContact CG-CE1 4.33Å; Y165-Y207 AromaticContact CZ-CD2 3.72Å; Y165-Y207 AromaticContact CZ-CE2 3.92Å
166	D	98.6	Very high	97.2	Very high	17 Å²	17	30 Å²	30	9%	0.091	14%	0.143	C	C	.	.			trans	-78.1	92.7	171.6	-171.7	-10.3	0	0	0	108.2	V119 R168 K169 N174	V119-D166 HydrophobicContact CG2-CB 4.07Å; D166-R168 PolarHBondContact O-N 2.88Å; D166-R168 WeakPolarHBondContact OD1-CB 3.28Å; D166-R168 WeakPolarHBondContact OD1-CG 3.26Å; D166-R168 IonicContact OD1-CZ 3.53Å; D166-R168 PolarHBondContact OD1-N 3.43Å; D166-R168 IonicContact OD1-NE 2.82Å; D166-R168 PolarHBondContact OD1-NE 3.37Å; D166-R168 IonicContact OD1-NH2 3.23Å; D166-R168 IonicContact OD2-CZ 2.64Å; D166-R168 IonicContact OD2-NE 3.27Å; D166-R168 IonicContact OD2-NH2 3.31Å; D166-R168 PolarHBondContact OD2-NH2 2.76Å; D166-K169 PolarHBondContact O-N 2.93Å; D166-N174 PolarHBondContact O-ND2 2.84Å
167	W	98.4	Very high	97.2	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.008	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-11.6	-174.1	48.3	-106.7	0	0	0	113.8	L51 N53 L55 W80 M98 Y165 K169 M203 S269	L51-W167 HydrophobicContact CD2-CD2 4.23Å; L51-W167 HydrophobicContact CD2-CE3 3.78Å; L51-W167 HydrophobicContact CD2-CH2 3.24Å; L51-W167 HydrophobicContact CD2-CZ2 3.69Å; L51-W167 HydrophobicContact CD2-CZ3 3.28Å; L51-W167 HydrophobicContact CG-CZ3 4.49Å; N53-W167 PolarHBondContact O-NE1 2.86Å; L55-W167 HydrophobicContact CD1-CD2 4.45Å; L55-W167 HydrophobicContact CD1-CH2 4.32Å; L55-W167 HydrophobicContact CD1-CZ2 3.61Å; L55-W167 HydrophobicContact CG-CZ2 4.3Å; W80-W167 HydrophobicContact CB-CZ2 4.1Å; W80-W167 AromaticContact CD1-CZ2 3.7Å; W80-W167 AromaticContact CD1-NE1 3.88Å; W80-W167 HydrophobicContact CD2-CZ2 4.02Å; W80-W167 AromaticContact CG-CZ2 3.67Å; W80-W167 HydrophobicContact CG-CZ2 3.67Å; M98-W167 HydrophobicContact CE-CH2 4.06Å; M98-W167 HydrophobicContact CE-CZ2 4.17Å; M98-W167 HydrophobicContact SD-CH2 4.31Å; Y165-W167 HydrophobicContact CD2-CB 4.21Å; Y165-W167 HydrophobicContact CE2-CB 3.82Å; Y165-W167 PolarHBondContact O-N 3.22Å; W167-K169 PolarHBondContact O-N 2.79Å; W167-M203 HydrophobicContact CB-CE 3.87Å; W167-M203 VanDerWaalsContact O-CE 3.24Å; W167-M203 WeakPolarHBondContact O-CE 3.15Å; W167-S269 WeakPolarHBondContact O-CB 3.25Å; W167-S269 PolarHBondContact O-OG 3.19Å
168	R	98.5	Very high	97.1	Very high	1 Å²	1	26.1 Å²	26.1	0%	0.004	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-21.6	173.3	-56.4	174.6	-64.1	159.6	2.7	112.3	L55 M98 L100 I117 D166 A267 V268 S269	L55-R168 HydrophobicContact CD1-CG 4.42Å; M98-R168 WeakPolarHBondContact O-CD 3.35Å; M98-R168 PolarHBondContact O-NH1 3.34Å; M98-R168 VanDerWaalsContact SD-CD 3.55Å; M98-R168 HydrophobicContact SD-CG 4.49Å; L100-R168 HydrophobicContact CD1-CB 3.73Å; L100-R168 HydrophobicContact CG-CB 4.33Å; I117-R168 VanDerWaalsContact CD1-CZ 3.49Å; D166-R168 PolarHBondContact O-N 2.88Å; D166-R168 WeakPolarHBondContact OD1-CB 3.28Å; D166-R168 WeakPolarHBondContact OD1-CG 3.26Å; D166-R168 IonicContact OD1-CZ 3.53Å; D166-R168 PolarHBondContact OD1-N 3.43Å; D166-R168 IonicContact OD1-NE 2.82Å; D166-R168 PolarHBondContact OD1-NE 3.37Å; D166-R168 IonicContact OD1-NH2 3.23Å; D166-R168 IonicContact OD2-CZ 2.64Å; D166-R168 IonicContact OD2-NE 3.27Å; D166-R168 IonicContact OD2-NH2 3.31Å; D166-R168 PolarHBondContact OD2-NH2 2.76Å; R168-A267 HydrophobicContact CB-CB 4.36Å; R168-A267 CarbonylContact O-C 3.52Å; R168-A267 WeakPolarHBondContact O-CA 3.36Å; R168-V268 PolarHBondContact O-N 3.29Å; R168-S269 PolarHBondContact O-N 2.82Å
169	K	98.3	Very high	97.1	Very high	29 Å²	29	29.7 Å²	29.7	13%	0.126	14%	0.139	C	C	.	.	S	Bend	trans	-101.6	162.2	-173.8	-65.9	-173	171.3	-151.4	0	111.4	L100 S109 D166 W167 E173 Y207	L100-K169 HydrophobicContact CD1-CG 3.94Å; S109-K169 WeakPolarHBondContact O-CE 3.2Å; S109-K169 PolarHBondContact O-NZ 2.77Å; D166-K169 PolarHBondContact O-N 2.93Å; W167-K169 PolarHBondContact O-N 2.79Å; K169-E173 HydrophobicContact CB-CB 4.21Å; K169-E173 HydrophobicContact CD-CB 3.91Å; K169-E173 HydrophobicContact CG-CB 4.44Å; K169-Y207 VanDerWaalsContact C-OH 3.3Å; K169-Y207 PolarHBondContact O-OH 3.01Å
170	A	97.9	Very high	97.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.147	C	C	.	.			trans	-90.4	165	165.5	0	0	0	0	0	111.1	N172 E173 Y207 V268 W272 T318 L321	A170-N172 VanDerWaalsContact C-N 3.25Å; A170-N172 VanDerWaalsContact CB-OD1 3.26Å; A170-N172 WeakPolarHBondContact CB-OD1 3.3Å; A170-N172 PolarHBondContact O-N 3.01Å; A170-N172 VanDerWaalsContact O-N 3.16Å; A170-N172 PolarHBondContact O-OD1 2.86Å; A170-E173 PolarHBondContact O-N 2.97Å; A170-E173 VanDerWaalsContact O-N 3.07Å; A170-Y207 PolarHBondContact O-OH 3.42Å; A170-V268 HydrophobicContact CB-CG1 3.88Å; A170-W272 HydrophobicContact CB-CB 4.48Å; A170-W272 HydrophobicContact CB-CD2 4.22Å; A170-W272 HydrophobicContact CB-CE3 4.3Å; A170-W272 HydrophobicContact CB-CG 4.33Å; A170-T318 HydrophobicContact CB-CG2 3.45Å; A170-T318 VanDerWaalsContact CB-CG2 3.45Å; A170-L321 HydrophobicContact CB-CD1 4.09Å
171	P	97.5	Very high	97.1	Very high	7 Å²	7	31.3 Å²	31.3	5%	0.045	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-28	-172.2	-27.3	33.9	0	0	0	115.8	E173 N174 Y207 Y210 W272	P171-E173 PolarHBondContact O-N 2.9Å; P171-N174 PolarHBondContact O-N 3.03Å; P171-Y207 HydrophobicContact CB-CD1 4.2Å; P171-Y207 HydrophobicContact CB-CE1 3.96Å; P171-Y207 HydrophobicContact CG-CD1 3.88Å; P171-Y207 HydrophobicContact CG-CD2 4.07Å; P171-Y207 HydrophobicContact CG-CE1 3.77Å; P171-Y207 HydrophobicContact CG-CE2 3.96Å; P171-Y207 HydrophobicContact CG-CG 4.03Å; P171-Y210 HydrophobicContact CB-CD1 3.15Å; P171-Y210 HydrophobicContact CB-CD2 4.41Å; P171-Y210 HydrophobicContact CB-CE1 3.33Å; P171-Y210 HydrophobicContact CB-CG 3.73Å; P171-Y210 HydrophobicContact CG-CD1 3.99Å; P171-Y210 HydrophobicContact CG-CG 4.13Å; P171-W272 HydrophobicContact CG-CH2 3.36Å; P171-W272 HydrophobicContact CG-CZ2 3.74Å; P171-W272 HydrophobicContact CG-CZ3 3.99Å
172	N	96.2	Very high	97.1	Very high	50 Å²	50	32.9 Å²	32.9	27%	0.267	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-26.9	176.2	59.9	-39.5	0	0	0	113.2	A170 L321	A170-N172 VanDerWaalsContact C-N 3.25Å; A170-N172 VanDerWaalsContact CB-OD1 3.26Å; A170-N172 WeakPolarHBondContact CB-OD1 3.3Å; A170-N172 PolarHBondContact O-N 3.01Å; A170-N172 VanDerWaalsContact O-N 3.16Å; A170-N172 PolarHBondContact O-OD1 2.86Å; N172-L321 HydrophobicContact CB-CD1 4.08Å; N172-L321 HydrophobicContact CB-CD2 3.98Å
173	E	96.4	Very high	97.1	Very high	20 Å²	20	37.4 Å²	37.4	9%	0.093	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-14.5	-178.2	-52.6	-160	85.3	0	0	113.4	T108 S109 K169 A170 P171 K175	T108-E173 WeakPolarHBondContact CA-OE1 3.17Å; T108-E173 WeakPolarHBondContact CB-OE1 3.41Å; S109-E173 PolarHBondContact N-OE1 2.79Å; S109-E173 PolarHBondContact OG-OE2 2.92Å; K169-E173 HydrophobicContact CB-CB 4.21Å; K169-E173 HydrophobicContact CD-CB 3.91Å; K169-E173 HydrophobicContact CG-CB 4.44Å; A170-E173 PolarHBondContact O-N 2.97Å; A170-E173 VanDerWaalsContact O-N 3.07Å; P171-E173 PolarHBondContact O-N 2.9Å; E173-K175 PolarHBondContact O-N 2.8Å
174	N	95.1	Very high	97.1	Very high	23 Å²	23	37.8 Å²	37.8	12%	0.123	18%	0.178	C	C	.	.			trans	-84.3	56.6	175.8	-92.7	-52.3	0	0	0	111.3	D166 P171 N176 Y177 Y207	D166-N174 PolarHBondContact O-ND2 2.84Å; P171-N174 PolarHBondContact O-N 3.03Å; N174-N176 VanDerWaalsContact C-N 3.28Å; N174-N176 PolarHBondContact O-N 3.19Å; N174-Y177 WeakPolarHBondContact O-CB 3.45Å; N174-Y177 PolarHBondContact O-N 3.13Å; N174-Y207 HydrophobicContact CB-CE1 4.19Å; N174-Y207 PolarHBondContact ND2-OH 2.89Å
175	K	84.3	Confident	97.1	Very high	165 Å²	165	37.7 Å²	37.7	72%	0.717	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-37.7	-166.1	-63.1	-178.8	-178	177.6	0	115.3	E173	E173-K175 PolarHBondContact O-N 2.8Å
176	N	94.2	Very high	97.1	Very high	92 Å²	92	39.9 Å²	39.9	49%	0.492	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-16	-177.7	-67.1	-34.4	0	0	0	113.5	N174 R179 N180	N174-N176 VanDerWaalsContact C-N 3.28Å; N174-N176 PolarHBondContact O-N 3.19Å; N176-R179 PolarHBondContact O-N 2.77Å; N176-R179 PolarHBondContact OD1-NH2 3.21Å; N176-N180 WeakPolarHBondContact O-CB 3.41Å; N176-N180 PolarHBondContact O-N 2.84Å; N176-N180 PolarHBondContact O-OD1 2.94Å
177	Y	97.6	Very high	97.1	Very high	14 Å²	14	43.6 Å²	43.6	6%	0.055	20%	0.204	C	C	.	.	H	α-helix	trans	-61.9	-50.4	-172.9	177	-104.5	0	0	0	111.9	I47 F122 A163 Y165 N174 R179 N180 L181 Y207	I47-Y177 WeakPolarHBondContact CG2-OH 3.46Å; F122-Y177 AromaticContact CE2-CD2 3.96Å; F122-Y177 HydrophobicContact CE2-CD2 3.96Å; F122-Y177 AromaticContact CE2-CE2 3.91Å; F122-Y177 HydrophobicContact CE2-CE2 3.91Å; A163-Y177 HydrophobicContact CB-CE2 4.05Å; A163-Y177 WeakPolarHBondContact O-CE2 3.37Å; A163-Y177 PolarHBondContact O-OH 2.82Å; Y165-Y177 HydrophobicContact CD1-CE2 4.01Å; Y165-Y177 AromaticContact CD1-CZ 3.95Å; Y165-Y177 HydrophobicContact CG-CE2 4.29Å; N174-Y177 WeakPolarHBondContact O-CB 3.45Å; N174-Y177 PolarHBondContact O-N 3.13Å; Y177-R179 VanDerWaalsContact C-N 3.28Å; Y177-R179 PolarHBondContact O-N 2.97Å; Y177-N180 PolarHBondContact O-N 3.46Å; Y177-L181 HydrophobicContact CE1-CD2 3.98Å; Y177-L181 VanDerWaalsContact O-CB 3.25Å; Y177-L181 WeakPolarHBondContact O-CB 3.49Å; Y177-L181 PolarHBondContact O-N 2.95Å; Y177-Y207 HydrophobicContact CD1-CD1 4.01Å; Y177-Y207 HydrophobicContact CD1-CE1 4.41Å; Y177-Y207 AromaticContact CE1-CD1 3.86Å; Y177-Y207 HydrophobicContact CE1-CD1 3.86Å
178	S	96.7	Very high	97.1	Very high	25 Å²	25	43.7 Å²	43.7	18%	0.175	21%	0.205	C	C	.	.	H	α-helix	trans	-59.8	-37.5	179.9	-61.8	0	0	0	0	112.9	K182 F211	S178-K182 WeakPolarHBondContact O-CB 3.28Å; S178-K182 PolarHBondContact O-N 2.98Å; S178-F211 WeakPolarHBondContact O-CE2 3.45Å
179	R	97.8	Very high	97.1	Very high	126 Å²	126	44 Å²	44	48%	0.475	21%	0.207	S	C	.	.	H	α-helix	trans	-67.9	-51.5	176.8	174.8	170.3	55	101	-1.4	111	N176 Y177 L181 K182 E183	N176-R179 PolarHBondContact O-N 2.77Å; N176-R179 PolarHBondContact OD1-NH2 3.21Å; Y177-R179 VanDerWaalsContact C-N 3.28Å; Y177-R179 PolarHBondContact O-N 2.97Å; R179-L181 VanDerWaalsContact C-N 3.29Å; R179-L181 PolarHBondContact O-N 3.44Å; R179-K182 WeakPolarHBondContact O-CB 3.2Å; R179-K182 PolarHBondContact O-N 2.89Å; R179-E183 VanDerWaalsContact CG-OE1 3.26Å; R179-E183 WeakPolarHBondContact CG-OE1 3.42Å; R179-E183 WeakPolarHBondContact O-CG 3.37Å; R179-E183 PolarHBondContact O-N 2.92Å
180	N	98.6	Very high	97.1	Very high	52 Å²	52	48.6 Å²	48.6	28%	0.278	23%	0.229	S	C	.	.	H	α-helix	trans	-62.2	-37.9	179.4	-63.4	0	0	0	0	111.7	F122 N176 Y177 M184	F122-N180 HydrophobicContact CD1-CB 4.47Å; F122-N180 HydrophobicContact CE1-CB 3.75Å; F122-N180 HydrophobicContact CE2-CB 4.21Å; F122-N180 HydrophobicContact CZ-CB 3.6Å; N176-N180 WeakPolarHBondContact O-CB 3.41Å; N176-N180 PolarHBondContact O-N 2.84Å; N176-N180 PolarHBondContact O-OD1 2.94Å; Y177-N180 PolarHBondContact O-N 3.46Å; N180-M184 WeakPolarHBondContact O-CB 3.36Å; N180-M184 PolarHBondContact O-N 3.44Å
181	L	98.9	Very high	97	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-64.4	-44.7	175.9	178	59.8	0	0	0	111.1	V45 A163 Y177 R179 M184 I185 F211	V45-L181 HydrophobicContact CG1-CD1 3.88Å; A163-L181 HydrophobicContact CB-CD1 3.88Å; Y177-L181 HydrophobicContact CE1-CD2 3.98Å; Y177-L181 VanDerWaalsContact O-CB 3.25Å; Y177-L181 WeakPolarHBondContact O-CB 3.49Å; Y177-L181 PolarHBondContact O-N 2.95Å; R179-L181 VanDerWaalsContact C-N 3.29Å; R179-L181 PolarHBondContact O-N 3.44Å; L181-M184 HydrophobicContact CD1-CE 4.07Å; L181-M184 PolarHBondContact O-N 2.99Å; L181-I185 HydrophobicContact CD1-CD1 3.85Å; L181-I185 HydrophobicContact CD1-CG1 4.24Å; L181-I185 HydrophobicContact CG-CD1 3.84Å; L181-I185 WeakPolarHBondContact O-CB 3.28Å; L181-I185 WeakPolarHBondContact O-CD1 3.34Å; L181-I185 VanDerWaalsContact O-CG1 3.23Å; L181-I185 WeakPolarHBondContact O-CG1 3.26Å; L181-I185 PolarHBondContact O-N 3.17Å; L181-F211 HydrophobicContact CD2-CB 4.45Å; L181-F211 HydrophobicContact CD2-CD1 3.88Å; L181-F211 HydrophobicContact CD2-CD2 4.12Å; L181-F211 HydrophobicContact CD2-CE1 4.13Å; L181-F211 HydrophobicContact CD2-CE2 4.35Å; L181-F211 HydrophobicContact CD2-CG 3.88Å; L181-F211 HydrophobicContact CD2-CZ 4.35Å; L181-F211 HydrophobicContact CG-CE1 4.34Å; L181-F211 HydrophobicContact CG-CE2 4.42Å; L181-F211 HydrophobicContact CG-CZ 4.26Å
182	K	98.8	Very high	96.9	Very high	62 Å²	62	55.1 Å²	55.1	27%	0.27	26%	0.259	S	S	.	.	H	α-helix	trans	-59.7	-51.1	175.2	-178.5	176	-178.8	167.3	0	111.7	S178 R179 M184 I185 E186 F211 W219	S178-K182 WeakPolarHBondContact O-CB 3.28Å; S178-K182 PolarHBondContact O-N 2.98Å; R179-K182 WeakPolarHBondContact O-CB 3.2Å; R179-K182 PolarHBondContact O-N 2.89Å; K182-M184 VanDerWaalsContact C-N 3.32Å; K182-M184 PolarHBondContact O-N 2.93Å; K182-I185 PolarHBondContact O-N 3.44Å; K182-E186 WeakPolarHBondContact CE-OE1 3.26Å; K182-E186 HydrophobicContact CG-CG 4.5Å; K182-E186 WeakPolarHBondContact CG-OE1 3.44Å; K182-E186 WeakPolarHBondContact O-CG 3.24Å; K182-E186 PolarHBondContact O-N 2.94Å; K182-F211 HydrophobicContact CB-CE2 4.03Å; K182-F211 HydrophobicContact CB-CZ 4.11Å; K182-W219 HydrophobicContact CB-CZ2 4.47Å; K182-W219 HydrophobicContact CG-CZ2 3.73Å
183	E	98.8	Very high	96.9	Very high	95 Å²	95	55 Å²	55	44%	0.444	27%	0.27	S	S	.	.	H	α-helix	trans	-58.2	-44	179.3	-72.2	169.6	-172.2	0	0	111.2	R179 E186 E187	R179-E183 VanDerWaalsContact CG-OE1 3.26Å; R179-E183 WeakPolarHBondContact CG-OE1 3.42Å; R179-E183 WeakPolarHBondContact O-CG 3.37Å; R179-E183 PolarHBondContact O-N 2.92Å; E183-E186 PolarHBondContact O-N 3.35Å; E183-E187 WeakPolarHBondContact O-CB 3.16Å; E183-E187 PolarHBondContact O-N 3.34Å
184	M	98.9	Very high	96.9	Very high	8 Å²	8	57.7 Å²	57.7	4%	0.039	28%	0.28	C	S	.	.	H	α-helix	trans	-65.1	-40.5	177	-176.7	174.2	67.7	0	0	112.6	V45 F122 G123 R161 A163 N180 L181 K182 E187 M188	V45-M184 HydrophobicContact CB-CE 4.49Å; V45-M184 HydrophobicContact CG1-CE 3.64Å; V45-M184 HydrophobicContact CG2-CE 3.99Å; F122-M184 HydrophobicContact CD1-SD 4.47Å; F122-M184 HydrophobicContact CE1-CB 4.28Å; F122-M184 HydrophobicContact CE1-CE 4.16Å; F122-M184 HydrophobicContact CE1-SD 3.95Å; F122-M184 HydrophobicContact CZ-CE 4.15Å; G123-M184 VanDerWaalsContact CA-SD 3.58Å; R161-M184 HydrophobicContact CB-SD 3.98Å; A163-M184 HydrophobicContact CB-CE 3.94Å; N180-M184 WeakPolarHBondContact O-CB 3.36Å; N180-M184 PolarHBondContact O-N 3.44Å; L181-M184 HydrophobicContact CD1-CE 4.07Å; L181-M184 PolarHBondContact O-N 2.99Å; K182-M184 VanDerWaalsContact C-N 3.32Å; K182-M184 PolarHBondContact O-N 2.93Å; M184-E187 PolarHBondContact O-N 3.34Å; M184-M188 HydrophobicContact CG-CG 4.33Å; M184-M188 HydrophobicContact CG-SD 3.79Å; M184-M188 WeakPolarHBondContact O-CB 3.33Å; M184-M188 WeakPolarHBondContact O-CG 3.25Å; M184-M188 PolarHBondContact O-N 3.35Å; M184-M188 HydrophobicContact SD-SD 4.42Å
185	I	98.9	Very high	97	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.3	-44.5	176.6	-73.8	165	0	0	0	110.7	V45 L181 K182 A189 V196 L198 F211 W219 I224	V45-I185 HydrophobicContact CG2-CG1 4.23Å; L181-I185 HydrophobicContact CD1-CD1 3.85Å; L181-I185 HydrophobicContact CD1-CG1 4.24Å; L181-I185 HydrophobicContact CG-CD1 3.84Å; L181-I185 WeakPolarHBondContact O-CB 3.28Å; L181-I185 WeakPolarHBondContact O-CD1 3.34Å; L181-I185 VanDerWaalsContact O-CG1 3.23Å; L181-I185 WeakPolarHBondContact O-CG1 3.26Å; L181-I185 PolarHBondContact O-N 3.17Å; K182-I185 PolarHBondContact O-N 3.44Å; I185-A189 WeakPolarHBondContact O-CB 3.46Å; I185-A189 PolarHBondContact O-N 3.48Å; I185-V196 HydrophobicContact CG1-CG1 4.44Å; I185-V196 HydrophobicContact CG2-CB 4.24Å; I185-V196 HydrophobicContact CG2-CG2 4.07Å; I185-L198 HydrophobicContact CD1-CD2 3.86Å; I185-L198 HydrophobicContact CG1-CD2 4.3Å; I185-F211 HydrophobicContact CD1-CE1 3.84Å; I185-F211 HydrophobicContact CD1-CZ 4.09Å; I185-W219 HydrophobicContact CB-CH2 4.26Å; I185-W219 HydrophobicContact CB-CZ2 4.28Å; I185-W219 HydrophobicContact CD1-CH2 4.01Å; I185-W219 HydrophobicContact CG2-CH2 3.7Å; I185-W219 HydrophobicContact CG2-CZ2 3.8Å; I185-I224 HydrophobicContact CD1-CD1 4.19Å; I185-I224 HydrophobicContact CG2-CD1 3.86Å
186	E	98.9	Very high	97.7	Very high	49 Å²	49	54 Å²	54	23%	0.229	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-48.8	177.8	-69.4	173.5	175.8	0	0	110.7	K182 E183 M188 A189 E190 W219 Y223	K182-E186 WeakPolarHBondContact CE-OE1 3.26Å; K182-E186 HydrophobicContact CG-CG 4.5Å; K182-E186 WeakPolarHBondContact CG-OE1 3.44Å; K182-E186 WeakPolarHBondContact O-CG 3.24Å; K182-E186 PolarHBondContact O-N 2.94Å; E183-E186 PolarHBondContact O-N 3.35Å; E186-M188 PolarHBondContact O-N 3.1Å; E186-A189 PolarHBondContact O-N 2.93Å; E186-E190 WeakPolarHBondContact O-CB 3.35Å; E186-E190 VanDerWaalsContact O-CG 3.26Å; E186-E190 WeakPolarHBondContact O-CG 3.42Å; E186-E190 PolarHBondContact O-N 3.18Å; E186-W219 HydrophobicContact CG-CZ2 4.3Å; E186-W219 PolarHBondContact OE1-NE1 3.28Å; E186-Y223 HydrophobicContact CB-CE1 4.07Å; E186-Y223 HydrophobicContact CG-CD1 4.23Å; E186-Y223 HydrophobicContact CG-CD2 4.33Å; E186-Y223 HydrophobicContact CG-CE1 3.88Å; E186-Y223 HydrophobicContact CG-CE2 3.97Å; E186-Y223 HydrophobicContact CG-CG 4.45Å
187	E	98.8	Very high	97.9	Very high	95 Å²	95	49.6 Å²	49.6	44%	0.444	24%	0.236	S	C	.	.	H	α-helix	trans	-56.5	-52	176.5	-175.5	-153.1	136.3	0	0	111.9	R161 E183 M184 A189 E190 K191	R161-E187 IonicContact CZ-OE1 2.98Å; R161-E187 VanDerWaalsContact CZ-OE1 3.27Å; R161-E187 VanDerWaalsContact NH1-CD 3.34Å; R161-E187 IonicContact NH1-OE1 2.72Å; R161-E187 PolarHBondContact NH1-OE1 2.95Å; R161-E187 IonicContact NH1-OE2 2.66Å; R161-E187 PolarHBondContact NH1-OE2 3.09Å; R161-E187 IonicContact NH2-OE1 3Å; R161-E187 PolarHBondContact NH2-OE1 2.71Å; E183-E187 WeakPolarHBondContact O-CB 3.16Å; E183-E187 PolarHBondContact O-N 3.34Å; M184-E187 PolarHBondContact O-N 3.34Å; E187-A189 VanDerWaalsContact C-N 3.33Å; E187-A189 PolarHBondContact O-N 2.85Å; E187-E190 PolarHBondContact O-N 2.82Å; E187-K191 VanDerWaalsContact O-CB 3.28Å; E187-K191 WeakPolarHBondContact O-CB 3.4Å; E187-K191 PolarHBondContact O-N 2.97Å
188	M	98.6	Very high	98	Very high	4 Å²	4	49 Å²	49	2%	0.02	23%	0.233	C	C	.	.	H	α-helix	trans	-63.3	-40.9	-178.1	-72	175.4	74	0	0	111.6	P43 V44 V45 R161 M184 E186 A192 V196	P43-M188 HydrophobicContact CB-CB 4.06Å; P43-M188 HydrophobicContact CB-CE 3.82Å; P43-M188 HydrophobicContact CG-CB 4.35Å; V44-M188 VanDerWaalsContact O-CE 3.28Å; V44-M188 WeakPolarHBondContact O-CE 3.41Å; V45-M188 HydrophobicContact CG2-CE 4.1Å; V45-M188 HydrophobicContact CG2-SD 3.65Å; R161-M188 HydrophobicContact CB-CE 4.04Å; R161-M188 HydrophobicContact CB-SD 3.95Å; R161-M188 HydrophobicContact CG-CE 3.82Å; R161-M188 HydrophobicContact CG-SD 3.85Å; M184-M188 HydrophobicContact CG-CG 4.33Å; M184-M188 HydrophobicContact CG-SD 3.79Å; M184-M188 WeakPolarHBondContact O-CB 3.33Å; M184-M188 WeakPolarHBondContact O-CG 3.25Å; M184-M188 PolarHBondContact O-N 3.35Å; M184-M188 HydrophobicContact SD-SD 4.42Å; E186-M188 PolarHBondContact O-N 3.1Å; M188-A192 VanDerWaalsContact O-CB 3.29Å; M188-A192 WeakPolarHBondContact O-CB 3.31Å; M188-A192 PolarHBondContact O-N 3.25Å; M188-V196 HydrophobicContact CB-CG2 4.08Å
189	A	98.3	Very high	98.1	Very high	6 Å²	6	47.8 Å²	47.8	5%	0.05	23%	0.225	C	C	.	.	H	α-helix	trans	-68.3	-43.6	-179.8	0	0	0	0	0	112.4	I185 E186 E187 A192 G193 R194 V196 Y223	I185-A189 WeakPolarHBondContact O-CB 3.46Å; I185-A189 PolarHBondContact O-N 3.48Å; E186-A189 PolarHBondContact O-N 2.93Å; E187-A189 VanDerWaalsContact C-N 3.33Å; E187-A189 PolarHBondContact O-N 2.85Å; A189-A192 PolarHBondContact O-N 3.05Å; A189-G193 WeakPolarHBondContact O-CA 3.49Å; A189-G193 PolarHBondContact O-N 3.24Å; A189-R194 WeakPolarHBondContact CA-O 3.44Å; A189-R194 VanDerWaalsContact CB-O 3.28Å; A189-R194 WeakPolarHBondContact CB-O 3.47Å; A189-R194 PolarHBondContact O-N 3.31Å; A189-R194 VanDerWaalsContact O-N 3.14Å; A189-V196 HydrophobicContact CB-CG2 4.08Å; A189-Y223 HydrophobicContact CB-CD1 3.61Å; A189-Y223 HydrophobicContact CB-CE1 4.16Å
190	E	97.7	Very high	98.2	Very high	126 Å²	126	41.8 Å²	41.8	59%	0.589	20%	0.202	S	C	*	.	H	α-helix	trans	-66.6	-42.9	179	-72.8	174.1	-173.3	0	0	111.1	E186 E187 A192 G193 Y223	E186-E190 WeakPolarHBondContact O-CB 3.35Å; E186-E190 VanDerWaalsContact O-CG 3.26Å; E186-E190 WeakPolarHBondContact O-CG 3.42Å; E186-E190 PolarHBondContact O-N 3.18Å; E187-E190 PolarHBondContact O-N 2.82Å; E190-A192 PolarHBondContact O-N 2.82Å; E190-G193 PolarHBondContact O-N 2.64Å; E190-Y223 HydrophobicContact CG-CE1 4.32Å; E190-Y223 PolarHBondContact OE1-OH 2.95Å
191	K	96.9	Very high	98.2	Very high	130 Å²	130	39.4 Å²	39.4	57%	0.565	19%	0.19	S	C	*	.	H	α-helix	trans	-60.7	-43.2	174.5	-178.7	177.6	173.2	-178.2	0	112.3	D158 E187	D158-K191 IonicContact OD1-NZ 3.94Å; D158-K191 PolarHBondContact OD1-NZ 2.03Å; D158-K191 IonicContact OD2-NZ 3.83Å; D158-K191 PolarHBondContact OD2-NZ 3.38Å; E187-K191 VanDerWaalsContact O-CB 3.28Å; E187-K191 WeakPolarHBondContact O-CB 3.4Å; E187-K191 PolarHBondContact O-N 2.97Å
192	A	95.5	Very high	98.2	Very high	14 Å²	14	40 Å²	40	12%	0.116	19%	0.194	C	C	.	.	H	α-helix	trans	-80.9	-16.7	-177.9	0	0	0	0	0	113.7	S39 P43 M188 A189 E190 R194	S39-A192 PolarHBondContact N-O 3.05Å; P43-A192 HydrophobicContact CB-CB 4.47Å; P43-A192 HydrophobicContact CG-CB 3.83Å; M188-A192 VanDerWaalsContact O-CB 3.29Å; M188-A192 WeakPolarHBondContact O-CB 3.31Å; M188-A192 PolarHBondContact O-N 3.25Å; A189-A192 PolarHBondContact O-N 3.05Å; E190-A192 PolarHBondContact O-N 2.82Å; A192-R194 HydrophobicContact CB-CB 4.38Å; A192-R194 PolarHBondContact O-N 3.28Å
193	G	96.1	Very high	98.2	Very high	48 Å²	48	37 Å²	37	50%	0.495	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	23.4	-167.4	0	0	0	0	0	113.1	A189 E190	A189-G193 WeakPolarHBondContact O-CA 3.49Å; A189-G193 PolarHBondContact O-N 3.24Å; E190-G193 PolarHBondContact O-N 2.64Å
194	R	95.6	Very high	98.2	Very high	77 Å²	77	32.5 Å²	32.5	29%	0.291	16%	0.16	S	C	.	.	S	Bend	trans	-144.3	155.9	-173.7	-68.7	-168.8	72.4	142.3	3.8	111.6	S39 Q40 A189 A192	S39-R194 WeakPolarHBondContact O-CD 3.44Å; S39-R194 PolarHBondContact O-NH1 3.32Å; Q40-R194 PolarHBondContact O-NH1 3.07Å; A189-R194 WeakPolarHBondContact CA-O 3.44Å; A189-R194 VanDerWaalsContact CB-O 3.28Å; A189-R194 WeakPolarHBondContact CB-O 3.47Å; A189-R194 PolarHBondContact O-N 3.31Å; A189-R194 VanDerWaalsContact O-N 3.14Å; A192-R194 HydrophobicContact CB-CB 4.38Å; A192-R194 PolarHBondContact O-N 3.28Å
195	R	97.8	Very high	98.2	Very high	110 Å²	110	32.1 Å²	32.1	42%	0.415	16%	0.158	S	C	.	.	P	Polyproline II helix	trans	-70.1	149	175.4	-67.1	-176.9	-62.3	177.4	1	111.8	P42 D221 K222 Y223 Q225	P42-R195 WeakPolarHBondContact CB-O 3.33Å; R195-D221 VanDerWaalsContact CD-O 3.22Å; R195-D221 WeakPolarHBondContact CD-O 3.34Å; R195-D221 PolarHBondContact NH1-O 3.37Å; R195-K222 WeakPolarHBondContact CG-O 3.44Å; R195-Y223 CarbonylContact C-O 3.57Å; R195-Y223 WeakPolarHBondContact CA-O 3.15Å; R195-Q225 HydrophobicContact CB-CB 3.7Å
196	V	98.8	Very high	98.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	141.2	-178.4	172.1	0	0	0	0	111.2	P43 V45 I185 M188 A189 L198 Y223 Q225	P43-V196 HydrophobicContact CB-CG2 4.3Å; P43-V196 HydrophobicContact CG-CB 4.45Å; P43-V196 HydrophobicContact CG-CG2 3.68Å; P43-V196 CarbonylContact O-C 3.56Å; P43-V196 WeakPolarHBondContact O-CA 3.32Å; V45-V196 HydrophobicContact CB-CG1 4.31Å; V45-V196 HydrophobicContact CG2-CG1 3.76Å; I185-V196 HydrophobicContact CG1-CG1 4.44Å; I185-V196 HydrophobicContact CG2-CB 4.24Å; I185-V196 HydrophobicContact CG2-CG2 4.07Å; M188-V196 HydrophobicContact CB-CG2 4.08Å; A189-V196 HydrophobicContact CB-CG2 4.08Å; V196-L198 HydrophobicContact CG1-CD2 3.89Å; V196-Y223 PolarHBondContact N-O 3.46Å; V196-Q225 PolarHBondContact O-N 3.38Å
197	V	98.9	Very high	98.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	129.7	165.3	176.6	0	0	0	0	109.5	P42 P43 V44 V45 I199 Q225 T226 I228 L414	P42-V197 HydrophobicContact CB-CG2 3.89Å; P42-V197 HydrophobicContact CG-CG2 3.67Å; P43-V197 PolarHBondContact O-N 3Å; V44-V197 WeakPolarHBondContact CA-O 3.47Å; V44-V197 HydrophobicContact CG2-CB 4.25Å; V45-V197 PolarHBondContact N-O 2.87Å; V197-I199 HydrophobicContact CG1-CG1 4.12Å; V197-Q225 HydrophobicContact CG2-CB 4.01Å; V197-Q225 HydrophobicContact CG2-CG 4.23Å; V197-T226 WeakPolarHBondContact CA-O 3.45Å; V197-T226 HydrophobicContact CB-CG2 4.37Å; V197-T226 HydrophobicContact CG1-CG2 3.74Å; V197-T226 HydrophobicContact CG2-CG2 3.94Å; V197-I228 HydrophobicContact CG1-CD1 3.97Å; V197-I228 HydrophobicContact CG1-CG1 4.11Å; V197-L414 HydrophobicContact CB-CD2 3.96Å; V197-L414 HydrophobicContact CG1-CD2 3.9Å; V197-L414 HydrophobicContact CG2-CD2 3.88Å
198	L	98.9	Very high	98.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.3	173.2	-54.1	-179.7	0	0	0	108.6	V45 I47 I185 V196 T208 L212 I224 T226 F227 I228	V45-L198 HydrophobicContact CB-CD2 3.93Å; V45-L198 HydrophobicContact CG2-CD2 4.47Å; I47-L198 HydrophobicContact CD1-CB 4.22Å; I47-L198 HydrophobicContact CD1-CD2 4.43Å; I185-L198 HydrophobicContact CD1-CD2 3.86Å; I185-L198 HydrophobicContact CG1-CD2 4.3Å; V196-L198 HydrophobicContact CG1-CD2 3.89Å; L198-T208 HydrophobicContact CB-CG2 4.43Å; L198-T208 HydrophobicContact CD1-CG2 3.75Å; L198-L212 HydrophobicContact CD1-CD1 4.36Å; L198-L212 HydrophobicContact CD1-CD2 4.23Å; L198-I224 HydrophobicContact CD1-CD1 4.04Å; L198-I224 HydrophobicContact CD1-CG2 4.4Å; L198-I224 HydrophobicContact CD2-CD1 4.41Å; L198-I224 HydrophobicContact CG-CD1 4.27Å; L198-T226 PolarHBondContact N-O 2.95Å; L198-F227 HydrophobicContact CB-CD2 4.06Å; L198-F227 CarbonylContact O-C 3.5Å; L198-F227 WeakPolarHBondContact O-CA 3.45Å; L198-I228 PolarHBondContact O-N 3.33Å
199	I	98.9	Very high	98.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	116.4	171.3	-51.2	-176.5	0	0	0	107.2	V44 V45 L46 I47 V197 I228 L230 I410	V44-I199 HydrophobicContact CG1-CD1 3.76Å; V44-I199 HydrophobicContact CG1-CG1 3.92Å; V45-I199 PolarHBondContact O-N 2.83Å; L46-I199 CarbonylContact C-O 3.53Å; L46-I199 WeakPolarHBondContact CA-O 3.23Å; L46-I199 HydrophobicContact CD2-CB 3.87Å; L46-I199 HydrophobicContact CD2-CD1 4.18Å; L46-I199 HydrophobicContact CD2-CG1 4.35Å; L46-I199 HydrophobicContact CD2-CG2 4.46Å; I47-I199 PolarHBondContact N-O 3.3Å; V197-I199 HydrophobicContact CG1-CG1 4.12Å; I199-I228 WeakPolarHBondContact CA-O 3.45Å; I199-I228 HydrophobicContact CD1-CD1 4.26Å; I199-I228 HydrophobicContact CG1-CB 4.18Å; I199-I228 HydrophobicContact CG1-CD1 4.16Å; I199-I228 HydrophobicContact CG1-CG1 4.45Å; I199-I228 HydrophobicContact CG2-CB 4.42Å; I199-L230 HydrophobicContact CG2-CD1 3.85Å; I199-L230 HydrophobicContact CG2-CG 4.2Å; I199-I410 HydrophobicContact CD1-CG2 3.83Å
200	A	98.9	Very high	98.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	146.6	178.9	0	0	0	0	0	111.5	I47 N205 F227 I228 L230	I47-A200 HydrophobicContact CB-CB 3.84Å; I47-A200 HydrophobicContact CD1-CB 4.41Å; I47-A200 HydrophobicContact CG2-CB 4.43Å; I47-A200 VanDerWaalsContact O-CA 3.3Å; I47-A200 WeakPolarHBondContact O-CA 3.15Å; A200-N205 PolarHBondContact O-ND2 3.19Å; A200-N205 PolarHBondContact O-OD1 2.8Å; A200-F227 HydrophobicContact CB-CE2 3.72Å; A200-F227 HydrophobicContact CB-CZ 4.3Å; A200-I228 PolarHBondContact N-O 3.15Å; A200-L230 WeakPolarHBondContact O-CB 3.47Å; A200-L230 PolarHBondContact O-N 2.86Å
201	H	98.9	Very high	98.3	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.009	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	140.5	177.6	178.3	-114.4	0	0	0	111.6	I47 G49 Y141 F142 M203 G204 N205 L230 H397 L401	I47-H201 PolarHBondContact O-N 3.24Å; G49-H201 WeakPolarHBondContact CA-O 3.33Å; G49-H201 PolarHBondContact N-O 2.82Å; Y141-H201 AromaticContact CE2-CE1 3.88Å; Y141-H201 AromaticContact CE2-ND1 3.57Å; Y141-H201 AromaticContact CZ-ND1 3.37Å; Y141-H201 PolarHBondContact OH-ND1 2.8Å; F142-H201 HydrophobicContact CE2-CB 4.09Å; F142-H201 HydrophobicContact CZ-CB 3.7Å; H201-M203 PolarHBondContact O-N 3.26Å; H201-G204 WeakPolarHBondContact O-CA 3.39Å; H201-G204 PolarHBondContact O-N 2.66Å; H201-N205 VanDerWaalsContact C-ND2 3.32Å; H201-L230 CarbonylContact C-O 3.55Å; H201-L230 WeakPolarHBondContact CA-O 3.25Å; H201-L230 HydrophobicContact CB-CB 4.39Å; H201-L230 PolarHBondContact CD2-O 3.5Å; H201-H397 AromaticContact CE1-NE2 3.95Å; H201-H397 AromaticContact NE2-CE1 3.95Å; H201-H397 PolarHBondContact NE2-O 3.48Å; H201-L401 HydrophobicContact CB-CD2 4.02Å
202	S	98.8	Very high	98.4	Very high	14 Å²	14	14.7 Å²	14.7	10%	0.098	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	-128.1	174.8	-169.5	0	0	0	0	112.2	G204 N205 L230 G231 P233 H397	S202-G204 PolarHBondContact O-N 3.46Å; S202-G204 VanDerWaalsContact O-N 3.11Å; S202-N205 PolarHBondContact N-ND2 2.76Å; S202-N205 VanDerWaalsContact O-CB 3.24Å; S202-N205 WeakPolarHBondContact O-CB 3.44Å; S202-N205 PolarHBondContact O-N 2.71Å; S202-N205 PolarHBondContact O-ND2 2.77Å; S202-L230 PolarHBondContact N-O 2.97Å; S202-G231 WeakPolarHBondContact CA-O 3.3Å; S202-P233 WeakPolarHBondContact O-CD 3.27Å; S202-H397 WeakPolarHBondContact CB-NE2 3.46Å; S202-H397 PolarHBondContact OG-CE1 3.21Å; S202-H397 PolarHBondContact OG-NE2 3.07Å
203	M	98.9	Very high	98.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-26.5	177.3	-176.3	170.6	69.7	0	0	114.4	D50 Y165 W167 H201 N205 L206 Y207 S269 W272 L273	D50-M203 HydrophobicContact CB-CB 4.31Å; D50-M203 HydrophobicContact CB-CE 3.62Å; D50-M203 HydrophobicContact CB-SD 4.27Å; Y165-M203 HydrophobicContact CE2-CE 4Å; W167-M203 HydrophobicContact CB-CE 3.87Å; W167-M203 VanDerWaalsContact O-CE 3.24Å; W167-M203 WeakPolarHBondContact O-CE 3.15Å; H201-M203 PolarHBondContact O-N 3.26Å; M203-N205 PolarHBondContact O-N 3.37Å; M203-N205 VanDerWaalsContact O-N 3.12Å; M203-L206 WeakPolarHBondContact O-CB 3.45Å; M203-L206 PolarHBondContact O-N 2.84Å; M203-Y207 HydrophobicContact CE-CE2 4.36Å; M203-Y207 HydrophobicContact CG-CD2 4.22Å; M203-Y207 HydrophobicContact CG-CE2 4.39Å; M203-Y207 PolarHBondContact O-N 3.28Å; M203-Y207 HydrophobicContact SD-CE2 4.46Å; M203-S269 VanDerWaalsContact SD-CB 3.53Å; M203-W272 HydrophobicContact CG-CE3 4.27Å; M203-W272 HydrophobicContact CG-CZ3 3.75Å; M203-W272 HydrophobicContact SD-CE3 4.01Å; M203-W272 HydrophobicContact SD-CZ3 3.97Å; M203-L273 HydrophobicContact CB-CD1 4.26Å; M203-L273 HydrophobicContact CG-CD1 4.25Å; M203-L273 HydrophobicContact CG-CD2 4.36Å; M203-L273 HydrophobicContact SD-CD1 3.81Å; M203-L273 HydrophobicContact SD-CG 4.29Å
204	G	98.9	Very high	98.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-55.5	-30.7	175.1	0	0	0	0	0	112.3	P48 Y165 H201 S202 L206 Y207 T208	P48-G204 WeakPolarHBondContact O-CA 3.24Å; P48-G204 PolarHBondContact O-N 2.74Å; Y165-G204 PolarHBondContact OH-N 2.96Å; H201-G204 WeakPolarHBondContact O-CA 3.39Å; H201-G204 PolarHBondContact O-N 2.66Å; S202-G204 PolarHBondContact O-N 3.46Å; S202-G204 VanDerWaalsContact O-N 3.11Å; G204-L206 VanDerWaalsContact C-N 3.35Å; G204-L206 PolarHBondContact O-N 3.09Å; G204-Y207 WeakPolarHBondContact O-CB 3.45Å; G204-Y207 PolarHBondContact O-N 3.39Å; G204-T208 PolarHBondContact O-N 2.87Å; G204-T208 PolarHBondContact O-OG1 3.46Å
205	N	98.9	Very high	98.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.4	-39.6	175.6	-68.2	-72.5	0	0	0	113	A200 H201 S202 M203 T208 L209 F227 C229 L230 P232 W234	A200-N205 PolarHBondContact O-ND2 3.19Å; A200-N205 PolarHBondContact O-OD1 2.8Å; H201-N205 VanDerWaalsContact C-ND2 3.32Å; S202-N205 PolarHBondContact N-ND2 2.76Å; S202-N205 VanDerWaalsContact O-CB 3.24Å; S202-N205 WeakPolarHBondContact O-CB 3.44Å; S202-N205 PolarHBondContact O-N 2.71Å; S202-N205 PolarHBondContact O-ND2 2.77Å; M203-N205 PolarHBondContact O-N 3.37Å; M203-N205 VanDerWaalsContact O-N 3.12Å; N205-T208 PolarHBondContact O-N 3.2Å; N205-L209 WeakPolarHBondContact O-CB 3.28Å; N205-L209 PolarHBondContact O-N 3.03Å; N205-F227 HydrophobicContact CB-CZ 4.32Å; N205-C229 WeakPolarHBondContact OD1-CA 3.23Å; N205-C229 WeakPolarHBondContact OD1-CB 3.45Å; N205-L230 PolarHBondContact ND2-O 2.95Å; N205-P232 HydrophobicContact CB-CB 3.71Å; N205-W234 HydrophobicContact CB-CH2 3.66Å; N205-W234 HydrophobicContact CB-CZ2 4.28Å; N205-W234 HydrophobicContact CB-CZ3 3.95Å
206	L	98.8	Very high	98.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-70.2	-38.4	177	-60.7	-176.5	0	0	0	111.2	M203 G204 L209 Y210 P233 W234 W272 L273 V322	M203-L206 WeakPolarHBondContact O-CB 3.45Å; M203-L206 PolarHBondContact O-N 2.84Å; G204-L206 VanDerWaalsContact C-N 3.35Å; G204-L206 PolarHBondContact O-N 3.09Å; L206-L209 PolarHBondContact O-N 3.4Å; L206-Y210 WeakPolarHBondContact O-CB 3.33Å; L206-Y210 PolarHBondContact O-N 3.11Å; L206-P233 HydrophobicContact CD1-CG 4.29Å; L206-P233 HydrophobicContact CG-CG 4.43Å; L206-W234 HydrophobicContact CD2-CE3 3.68Å; L206-W234 HydrophobicContact CD2-CZ3 4.1Å; L206-W272 HydrophobicContact CB-CH2 3.32Å; L206-W272 HydrophobicContact CB-CZ2 3.68Å; L206-W272 HydrophobicContact CB-CZ3 4.06Å; L206-W272 HydrophobicContact CD1-CH2 4.17Å; L206-W272 HydrophobicContact CD1-CZ2 4.17Å; L206-W272 HydrophobicContact CD1-CZ3 4.38Å; L206-W272 HydrophobicContact CG-CH2 4.4Å; L206-L273 HydrophobicContact CD1-CD2 3.36Å; L206-V322 HydrophobicContact CD2-CG2 4.32Å
207	Y	98.8	Very high	98.7	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.008	10%	0.096	C	C	.	.	H	α-helix	trans	-59.8	-46	171.8	-95.6	-95.2	0	0	0	111.6	Y165 K169 A170 P171 N174 Y177 M203 G204 F211 W272	Y165-Y207 HydrophobicContact CD2-CD1 4.35Å; Y165-Y207 HydrophobicContact CD2-CD2 4.43Å; Y165-Y207 AromaticContact CD2-CE1 3.88Å; Y165-Y207 HydrophobicContact CD2-CE1 3.88Å; Y165-Y207 AromaticContact CD2-CE2 3.96Å; Y165-Y207 HydrophobicContact CD2-CE2 3.96Å; Y165-Y207 AromaticContact CD2-CZ 3.67Å; Y165-Y207 HydrophobicContact CE1-CD2 4.5Å; Y165-Y207 HydrophobicContact CE1-CG 4.4Å; Y165-Y207 HydrophobicContact CE2-CD1 4.35Å; Y165-Y207 AromaticContact CE2-CD2 3.68Å; Y165-Y207 HydrophobicContact CE2-CD2 3.68Å; Y165-Y207 HydrophobicContact CE2-CE1 4.08Å; Y165-Y207 AromaticContact CE2-CE2 3.36Å; Y165-Y207 HydrophobicContact CE2-CE2 3.36Å; Y165-Y207 HydrophobicContact CE2-CG 4.16Å; Y165-Y207 AromaticContact CE2-CZ 3.59Å; Y165-Y207 HydrophobicContact CG-CE1 4.33Å; Y165-Y207 AromaticContact CZ-CD2 3.72Å; Y165-Y207 AromaticContact CZ-CE2 3.92Å; K169-Y207 VanDerWaalsContact C-OH 3.3Å; K169-Y207 PolarHBondContact O-OH 3.01Å; A170-Y207 PolarHBondContact O-OH 3.42Å; P171-Y207 HydrophobicContact CB-CD1 4.2Å; P171-Y207 HydrophobicContact CB-CE1 3.96Å; P171-Y207 HydrophobicContact CG-CD1 3.88Å; P171-Y207 HydrophobicContact CG-CD2 4.07Å; P171-Y207 HydrophobicContact CG-CE1 3.77Å; P171-Y207 HydrophobicContact CG-CE2 3.96Å; P171-Y207 HydrophobicContact CG-CG 4.03Å; N174-Y207 HydrophobicContact CB-CE1 4.19Å; N174-Y207 PolarHBondContact ND2-OH 2.89Å; Y177-Y207 HydrophobicContact CD1-CD1 4.01Å; Y177-Y207 HydrophobicContact CD1-CE1 4.41Å; Y177-Y207 AromaticContact CE1-CD1 3.86Å; Y177-Y207 HydrophobicContact CE1-CD1 3.86Å; M203-Y207 HydrophobicContact CE-CE2 4.36Å; M203-Y207 HydrophobicContact CG-CD2 4.22Å; M203-Y207 HydrophobicContact CG-CE2 4.39Å; M203-Y207 PolarHBondContact O-N 3.28Å; M203-Y207 HydrophobicContact SD-CE2 4.46Å; G204-Y207 WeakPolarHBondContact O-CB 3.45Å; G204-Y207 PolarHBondContact O-N 3.39Å; Y207-F211 WeakPolarHBondContact O-CB 3.25Å; Y207-F211 PolarHBondContact O-N 2.95Å; Y207-W272 AromaticContact CD2-CH2 3.89Å; Y207-W272 HydrophobicContact CD2-CH2 3.89Å; Y207-W272 AromaticContact CD2-CZ3 3.69Å; Y207-W272 HydrophobicContact CD2-CZ3 3.69Å; Y207-W272 HydrophobicContact CE2-CH2 4.09Å; Y207-W272 AromaticContact CE2-CZ3 3.54Å; Y207-W272 HydrophobicContact CE2-CZ3 3.54Å
208	T	98.9	Very high	98.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65	-41.6	177.4	-58.4	0	0	0	0	111.8	L198 G204 N205 F211 L212 F227	L198-T208 HydrophobicContact CB-CG2 4.43Å; L198-T208 HydrophobicContact CD1-CG2 3.75Å; G204-T208 PolarHBondContact O-N 2.87Å; G204-T208 PolarHBondContact O-OG1 3.46Å; N205-T208 PolarHBondContact O-N 3.2Å; T208-F211 PolarHBondContact O-N 3.14Å; T208-L212 HydrophobicContact CG2-CD1 3.89Å; T208-L212 HydrophobicContact CG2-CG 4.31Å; T208-L212 WeakPolarHBondContact O-CB 3.05Å; T208-L212 VanDerWaalsContact O-CG 3.28Å; T208-L212 WeakPolarHBondContact O-CG 3.19Å; T208-L212 PolarHBondContact O-N 2.87Å; T208-F227 HydrophobicContact CG2-CD1 4.16Å; T208-F227 HydrophobicContact CG2-CD2 3.85Å; T208-F227 HydrophobicContact CG2-CE1 3.84Å; T208-F227 HydrophobicContact CG2-CE2 3.55Å; T208-F227 HydrophobicContact CG2-CG 4.17Å; T208-F227 HydrophobicContact CG2-CZ 3.55Å
209	L	98.9	Very high	98.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.7	-53.4	175.6	-178.8	62.2	0	0	0	111	N205 L206 F211 L212 N213 W234 V322 L325 T326 P328 W379	N205-L209 WeakPolarHBondContact O-CB 3.28Å; N205-L209 PolarHBondContact O-N 3.03Å; L206-L209 PolarHBondContact O-N 3.4Å; L209-F211 VanDerWaalsContact C-N 3.26Å; L209-F211 PolarHBondContact O-N 3.22Å; L209-L212 PolarHBondContact O-N 3.12Å; L209-L212 VanDerWaalsContact O-N 3.08Å; L209-N213 VanDerWaalsContact CD1-OD1 3.31Å; L209-N213 WeakPolarHBondContact CD1-OD1 3.42Å; L209-N213 WeakPolarHBondContact CG-OD1 3.44Å; L209-N213 PolarHBondContact O-N 3.15Å; L209-N213 PolarHBondContact O-OD1 2.67Å; L209-W234 HydrophobicContact CB-CZ3 3.94Å; L209-W234 HydrophobicContact CD2-CE3 3.91Å; L209-W234 HydrophobicContact CD2-CZ3 3.77Å; L209-W234 HydrophobicContact CG-CZ3 4.4Å; L209-V322 HydrophobicContact CD2-CG1 4.49Å; L209-L325 HydrophobicContact CD2-CD2 3.81Å; L209-T326 WeakPolarHBondContact CD1-O 3.34Å; L209-P328 HydrophobicContact CD1-CB 4.02Å; L209-P328 HydrophobicContact CD1-CG 4.48Å; L209-W379 HydrophobicContact CD1-CH2 4.05Å; L209-W379 HydrophobicContact CD1-CZ2 3.86Å; L209-W379 HydrophobicContact CD2-CH2 4.29Å; L209-W379 HydrophobicContact CD2-CZ2 3.9Å
210	Y	98.7	Very high	98.7	Very high	41 Å²	41	23.9 Å²	23.9	16%	0.161	13%	0.133	C	C	.	.	H	α-helix	trans	-53	-44	176.1	178	-103.8	0	0	0	112.2	P171 L206 Q214 L321	P171-Y210 HydrophobicContact CB-CD1 3.15Å; P171-Y210 HydrophobicContact CB-CD2 4.41Å; P171-Y210 HydrophobicContact CB-CE1 3.33Å; P171-Y210 HydrophobicContact CB-CG 3.73Å; P171-Y210 HydrophobicContact CG-CD1 3.99Å; P171-Y210 HydrophobicContact CG-CG 4.13Å; L206-Y210 WeakPolarHBondContact O-CB 3.33Å; L206-Y210 PolarHBondContact O-N 3.11Å; Y210-Q214 PolarHBondContact O-N 3.3Å; Y210-Q214 PolarHBondContact O-NE2 2.86Å; Y210-L321 HydrophobicContact CD2-CB 4.05Å; Y210-L321 WeakPolarHBondContact CD2-O 3.47Å; Y210-L321 HydrophobicContact CE2-CB 4.11Å; Y210-L321 HydrophobicContact CE2-CD2 3.8Å; Y210-L321 HydrophobicContact CE2-CG 4.46Å
211	F	98.8	Very high	98.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.5	-50.2	175.9	169	-105.8	0	0	0	112.2	S178 L181 K182 I185 Y207 T208 L209 N213 Q214 Q215 W219	S178-F211 WeakPolarHBondContact O-CE2 3.45Å; L181-F211 HydrophobicContact CD2-CB 4.45Å; L181-F211 HydrophobicContact CD2-CD1 3.88Å; L181-F211 HydrophobicContact CD2-CD2 4.12Å; L181-F211 HydrophobicContact CD2-CE1 4.13Å; L181-F211 HydrophobicContact CD2-CE2 4.35Å; L181-F211 HydrophobicContact CD2-CG 3.88Å; L181-F211 HydrophobicContact CD2-CZ 4.35Å; L181-F211 HydrophobicContact CG-CE1 4.34Å; L181-F211 HydrophobicContact CG-CE2 4.42Å; L181-F211 HydrophobicContact CG-CZ 4.26Å; K182-F211 HydrophobicContact CB-CE2 4.03Å; K182-F211 HydrophobicContact CB-CZ 4.11Å; I185-F211 HydrophobicContact CD1-CE1 3.84Å; I185-F211 HydrophobicContact CD1-CZ 4.09Å; Y207-F211 WeakPolarHBondContact O-CB 3.25Å; Y207-F211 PolarHBondContact O-N 2.95Å; T208-F211 PolarHBondContact O-N 3.14Å; L209-F211 VanDerWaalsContact C-N 3.26Å; L209-F211 PolarHBondContact O-N 3.22Å; F211-N213 VanDerWaalsContact C-N 3.34Å; F211-N213 PolarHBondContact O-N 3.07Å; F211-Q214 PolarHBondContact O-N 3.14Å; F211-Q214 VanDerWaalsContact O-N 3.16Å; F211-Q215 HydrophobicContact CE1-CG 4.13Å; F211-Q215 HydrophobicContact CE2-CG 4.07Å; F211-Q215 HydrophobicContact CZ-CG 3.86Å; F211-Q215 WeakPolarHBondContact O-CG 3.44Å; F211-Q215 PolarHBondContact O-N 2.91Å; F211-Q215 PolarHBondContact O-NE2 3.32Å; F211-W219 AromaticContact CE1-CH2 3.87Å; F211-W219 HydrophobicContact CE1-CH2 3.87Å; F211-W219 HydrophobicContact CE1-CZ3 4.01Å; F211-W219 AromaticContact CZ-CH2 3.67Å; F211-W219 HydrophobicContact CZ-CH2 3.67Å; F211-W219 HydrophobicContact CZ-CZ2 4.4Å; F211-W219 HydrophobicContact CZ-CZ3 4.08Å
212	L	98.8	Very high	98.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.6	-33.2	-178.1	-70.5	173.4	0	0	0	112.5	L198 T208 L209 Q214 Q215 K220 I224 F227 P328 V330	L198-L212 HydrophobicContact CD1-CD1 4.36Å; L198-L212 HydrophobicContact CD1-CD2 4.23Å; T208-L212 HydrophobicContact CG2-CD1 3.89Å; T208-L212 HydrophobicContact CG2-CG 4.31Å; T208-L212 WeakPolarHBondContact O-CB 3.05Å; T208-L212 VanDerWaalsContact O-CG 3.28Å; T208-L212 WeakPolarHBondContact O-CG 3.19Å; T208-L212 PolarHBondContact O-N 2.87Å; L209-L212 PolarHBondContact O-N 3.12Å; L209-L212 VanDerWaalsContact O-N 3.08Å; L212-Q214 PolarHBondContact O-N 3.24Å; L212-Q215 PolarHBondContact O-N 3.49Å; L212-K220 HydrophobicContact CB-CD 4.33Å; L212-K220 HydrophobicContact CD2-CD 4.12Å; L212-K220 HydrophobicContact CD2-CG 4.25Å; L212-K220 WeakPolarHBondContact O-CD 3.3Å; L212-I224 HydrophobicContact CD2-CG1 4.16Å; L212-F227 HydrophobicContact CD1-CD1 4.03Å; L212-F227 HydrophobicContact CD1-CG 4.44Å; L212-P328 HydrophobicContact CB-CB 4.23Å; L212-P328 HydrophobicContact CD1-CB 3.86Å; L212-V330 HydrophobicContact CD1-CG2 4.01Å
213	N	98.4	Very high	98.7	Very high	58 Å²	58	33.6 Å²	33.6	31%	0.31	18%	0.176	S	C	.	.	H	α-helix	trans	-67.3	-20.5	175.5	-69.3	120.7	0	0	0	113.2	L209 F211 T326	L209-N213 VanDerWaalsContact CD1-OD1 3.31Å; L209-N213 WeakPolarHBondContact CD1-OD1 3.42Å; L209-N213 WeakPolarHBondContact CG-OD1 3.44Å; L209-N213 PolarHBondContact O-N 3.15Å; L209-N213 PolarHBondContact O-OD1 2.67Å; F211-N213 VanDerWaalsContact C-N 3.34Å; F211-N213 PolarHBondContact O-N 3.07Å; N213-T326 WeakPolarHBondContact ND2-CB 3.33Å; N213-T326 WeakPolarHBondContact ND2-CG2 3.19Å; N213-T326 PolarHBondContact ND2-O 3.05Å
214	Q	97.7	Very high	98.7	Very high	98 Å²	98	33.8 Å²	33.8	46%	0.458	18%	0.177	S	C	.	.	H	α-helix	trans	-91.7	-11.2	175.2	-72.7	168.9	81.2	0	0	113.7	Y210 F211 L212	Y210-Q214 PolarHBondContact O-N 3.3Å; Y210-Q214 PolarHBondContact O-NE2 2.86Å; F211-Q214 PolarHBondContact O-N 3.14Å; F211-Q214 VanDerWaalsContact O-N 3.16Å; L212-Q214 PolarHBondContact O-N 3.24Å
215	Q	98.5	Very high	98.7	Very high	25 Å²	25	35.8 Å²	35.8	12%	0.117	19%	0.186	C	C	.	.	S	Bend	trans	-87.9	136.5	178.9	-59.2	-42.6	-55.1	0	0	111.5	F211 L212 W219 K220	F211-Q215 HydrophobicContact CE1-CG 4.13Å; F211-Q215 HydrophobicContact CE2-CG 4.07Å; F211-Q215 HydrophobicContact CZ-CG 3.86Å; F211-Q215 WeakPolarHBondContact O-CG 3.44Å; F211-Q215 PolarHBondContact O-N 2.91Å; F211-Q215 PolarHBondContact O-NE2 3.32Å; L212-Q215 PolarHBondContact O-N 3.49Å; Q215-W219 HydrophobicContact CB-CD2 4.26Å; Q215-W219 HydrophobicContact CB-CE3 3.6Å; Q215-W219 HydrophobicContact CB-CZ3 4.15Å; Q215-W219 HydrophobicContact CG-CD2 4.27Å; Q215-W219 HydrophobicContact CG-CE3 3.63Å; Q215-W219 HydrophobicContact CG-CH2 4.44Å; Q215-W219 HydrophobicContact CG-CZ3 3.73Å; Q215-K220 HydrophobicContact CB-CD 4.3Å; Q215-K220 HydrophobicContact CB-CG 3.88Å
216	P	98.6	Very high	98.7	Very high	80 Å²	80	36 Å²	36	52%	0.519	19%	0.188	S	C	.	.			trans	-55.2	142.9	170.9	-24	33.6	0	0	0	111.3	A218 W219 K220	P216-A218 PolarHBondContact O-N 3.02Å; P216-W219 HydrophobicContact CB-CB 4.45Å; P216-W219 WeakPolarHBondContact O-CB 3.16Å; P216-W219 PolarHBondContact O-N 2.87Å; P216-K220 PolarHBondContact O-N 2.83Å; P216-K220 VanDerWaalsContact O-N 3.15Å
217	Q	98.8	Very high	98.7	Very high	72 Å²	72	36 Å²	36	34%	0.336	19%	0.188	S	C	.	.	H	α-helix	trans	-55.7	-40.6	-179.9	-171.7	58.5	46.5	0	0	112.4	W219 K220 D221 G329 Q385	Q217-W219 VanDerWaalsContact C-N 3.27Å; Q217-W219 PolarHBondContact O-N 3.32Å; Q217-K220 PolarHBondContact O-N 3.02Å; Q217-K220 VanDerWaalsContact O-N 3.12Å; Q217-K220 VanDerWaalsContact OE1-NZ 3.08Å; Q217-D221 PolarHBondContact NE2-OD1 3.31Å; Q217-D221 VanDerWaalsContact O-CG 3.23Å; Q217-D221 PolarHBondContact O-N 3.29Å; Q217-G329 PolarHBondContact NE2-O 3.26Å; Q217-Q385 VanDerWaalsContact NE2-NE2 3.19Å
218	A	98.7	Very high	98.7	Very high	77 Å²	77	35.9 Å²	35.9	64%	0.636	19%	0.187	S	C	*	.	H	α-helix	trans	-60.2	-34	176.3	0	0	0	0	0	113.4	P216 K222	P216-A218 PolarHBondContact O-N 3.02Å; A218-K222 WeakPolarHBondContact O-CB 3.25Å; A218-K222 PolarHBondContact O-N 3.12Å; A218-K222 VanDerWaalsContact O-N 3.14Å
219	W	98.9	Very high	98.7	Very high	21 Å²	21	35.9 Å²	35.9	8%	0.08	19%	0.187	C	C	.	.	H	α-helix	trans	-69	-45.2	174.7	-177.8	93.5	0	0	0	110.6	K182 I185 E186 F211 Q215 P216 Q217 D221 K222 Y223 I224	K182-W219 HydrophobicContact CB-CZ2 4.47Å; K182-W219 HydrophobicContact CG-CZ2 3.73Å; I185-W219 HydrophobicContact CB-CH2 4.26Å; I185-W219 HydrophobicContact CB-CZ2 4.28Å; I185-W219 HydrophobicContact CD1-CH2 4.01Å; I185-W219 HydrophobicContact CG2-CH2 3.7Å; I185-W219 HydrophobicContact CG2-CZ2 3.8Å; E186-W219 HydrophobicContact CG-CZ2 4.3Å; E186-W219 PolarHBondContact OE1-NE1 3.28Å; F211-W219 AromaticContact CE1-CH2 3.87Å; F211-W219 HydrophobicContact CE1-CH2 3.87Å; F211-W219 HydrophobicContact CE1-CZ3 4.01Å; F211-W219 AromaticContact CZ-CH2 3.67Å; F211-W219 HydrophobicContact CZ-CH2 3.67Å; F211-W219 HydrophobicContact CZ-CZ2 4.4Å; F211-W219 HydrophobicContact CZ-CZ3 4.08Å; Q215-W219 HydrophobicContact CB-CD2 4.26Å; Q215-W219 HydrophobicContact CB-CE3 3.6Å; Q215-W219 HydrophobicContact CB-CZ3 4.15Å; Q215-W219 HydrophobicContact CG-CD2 4.27Å; Q215-W219 HydrophobicContact CG-CE3 3.63Å; Q215-W219 HydrophobicContact CG-CH2 4.44Å; Q215-W219 HydrophobicContact CG-CZ3 3.73Å; P216-W219 HydrophobicContact CB-CB 4.45Å; P216-W219 WeakPolarHBondContact O-CB 3.16Å; P216-W219 PolarHBondContact O-N 2.87Å; Q217-W219 VanDerWaalsContact C-N 3.27Å; Q217-W219 PolarHBondContact O-N 3.32Å; W219-D221 PolarHBondContact O-N 3.17Å; W219-K222 PolarHBondContact O-N 2.82Å; W219-Y223 AromaticContact CD1-CD2 3.45Å; W219-Y223 VanDerWaalsContact CD1-CD2 3.45Å; W219-Y223 AromaticContact CD1-CE2 3.62Å; W219-Y223 AromaticContact CD2-CD2 3.95Å; W219-Y223 HydrophobicContact CD2-CD2 3.95Å; W219-Y223 AromaticContact CE2-CD2 3.6Å; W219-Y223 AromaticContact CG-CD2 3.86Å; W219-Y223 HydrophobicContact CG-CD2 3.86Å; W219-Y223 HydrophobicContact CG-CE2 4.41Å; W219-Y223 HydrophobicContact CZ2-CD2 4.26Å; W219-Y223 HydrophobicContact CZ2-CG 4.34Å; W219-Y223 AromaticContact NE1-CD2 3.27Å; W219-Y223 VanDerWaalsContact NE1-CD2 3.27Å; W219-Y223 AromaticContact NE1-CE2 3.54Å; W219-Y223 WeakPolarHBondContact O-CD2 3.41Å; W219-Y223 PolarHBondContact O-N 2.96Å; W219-I224 HydrophobicContact CE3-CG1 4.45Å; W219-I224 HydrophobicContact CH2-CD1 3.9Å; W219-I224 HydrophobicContact CH2-CG1 4.3Å; W219-I224 HydrophobicContact CZ3-CD1 3.83Å; W219-I224 HydrophobicContact CZ3-CG1 3.72Å
220	K	98.9	Very high	98.7	Very high	12 Å²	12	35.9 Å²	35.9	5%	0.052	19%	0.187	C	C	.	.	H	α-helix	trans	-61.4	-44.5	178.1	-65.9	-176	-66.4	-173.4	0	111.6	L212 Q215 P216 Q217 K222 Y223 I224 P328 V330	L212-K220 HydrophobicContact CB-CD 4.33Å; L212-K220 HydrophobicContact CD2-CD 4.12Å; L212-K220 HydrophobicContact CD2-CG 4.25Å; L212-K220 WeakPolarHBondContact O-CD 3.3Å; Q215-K220 HydrophobicContact CB-CD 4.3Å; Q215-K220 HydrophobicContact CB-CG 3.88Å; P216-K220 PolarHBondContact O-N 2.83Å; P216-K220 VanDerWaalsContact O-N 3.15Å; Q217-K220 PolarHBondContact O-N 3.02Å; Q217-K220 VanDerWaalsContact O-N 3.12Å; Q217-K220 VanDerWaalsContact OE1-NZ 3.08Å; K220-K222 VanDerWaalsContact C-N 3.27Å; K220-K222 PolarHBondContact O-N 2.95Å; K220-Y223 PolarHBondContact O-N 3.04Å; K220-I224 WeakPolarHBondContact O-CA 3.38Å; K220-I224 WeakPolarHBondContact O-CB 3.35Å; K220-I224 PolarHBondContact O-N 2.81Å; K220-P328 WeakPolarHBondContact CD-O 3.46Å; K220-P328 WeakPolarHBondContact CE-O 3.26Å; K220-P328 PolarHBondContact NZ-O 3.21Å; K220-V330 HydrophobicContact CB-CG1 3.85Å; K220-V330 HydrophobicContact CD-CG1 4.21Å; K220-V330 HydrophobicContact CG-CG1 4.37Å
221	D	98.8	Very high	98.7	Very high	74 Å²	74	34 Å²	34	40%	0.396	18%	0.18	S	C	.	.	H	α-helix	trans	-62.3	-36	177.7	-65.8	-23.8	0	0	0	111.9	R195 Q217 W219 Q385	R195-D221 VanDerWaalsContact CD-O 3.22Å; R195-D221 WeakPolarHBondContact CD-O 3.34Å; R195-D221 PolarHBondContact NH1-O 3.37Å; Q217-D221 PolarHBondContact NE2-OD1 3.31Å; Q217-D221 VanDerWaalsContact O-CG 3.23Å; Q217-D221 PolarHBondContact O-N 3.29Å; W219-D221 PolarHBondContact O-N 3.17Å; D221-Q385 PolarHBondContact OD1-NE2 3.07Å
222	K	98.6	Very high	98.7	Very high	129 Å²	129	34 Å²	34	56%	0.561	18%	0.18	S	C	*	.	H	α-helix	trans	-75.2	-39.3	179.2	-178.1	177.5	176.1	-161.7	0	113.5	R195 A218 W219 K220	R195-K222 WeakPolarHBondContact CG-O 3.44Å; A218-K222 WeakPolarHBondContact O-CB 3.25Å; A218-K222 PolarHBondContact O-N 3.12Å; A218-K222 VanDerWaalsContact O-N 3.14Å; W219-K222 PolarHBondContact O-N 2.82Å; K220-K222 VanDerWaalsContact C-N 3.27Å; K220-K222 PolarHBondContact O-N 2.95Å
223	Y	98.8	Very high	98.7	Very high	17 Å²	17	34 Å²	34	7%	0.067	18%	0.18	C	C	.	.	H	α-helix	trans	-113.7	-22.4	-166.3	-71.1	-72	0	0	0	114.8	E186 A189 E190 R195 V196 W219 K220	E186-Y223 HydrophobicContact CB-CE1 4.07Å; E186-Y223 HydrophobicContact CG-CD1 4.23Å; E186-Y223 HydrophobicContact CG-CD2 4.33Å; E186-Y223 HydrophobicContact CG-CE1 3.88Å; E186-Y223 HydrophobicContact CG-CE2 3.97Å; E186-Y223 HydrophobicContact CG-CG 4.45Å; A189-Y223 HydrophobicContact CB-CD1 3.61Å; A189-Y223 HydrophobicContact CB-CE1 4.16Å; E190-Y223 HydrophobicContact CG-CE1 4.32Å; E190-Y223 PolarHBondContact OE1-OH 2.95Å; R195-Y223 CarbonylContact C-O 3.57Å; R195-Y223 WeakPolarHBondContact CA-O 3.15Å; V196-Y223 PolarHBondContact N-O 3.46Å; W219-Y223 AromaticContact CD1-CD2 3.45Å; W219-Y223 VanDerWaalsContact CD1-CD2 3.45Å; W219-Y223 AromaticContact CD1-CE2 3.62Å; W219-Y223 AromaticContact CD2-CD2 3.95Å; W219-Y223 HydrophobicContact CD2-CD2 3.95Å; W219-Y223 AromaticContact CE2-CD2 3.6Å; W219-Y223 AromaticContact CG-CD2 3.86Å; W219-Y223 HydrophobicContact CG-CD2 3.86Å; W219-Y223 HydrophobicContact CG-CE2 4.41Å; W219-Y223 HydrophobicContact CZ2-CD2 4.26Å; W219-Y223 HydrophobicContact CZ2-CG 4.34Å; W219-Y223 AromaticContact NE1-CD2 3.27Å; W219-Y223 VanDerWaalsContact NE1-CD2 3.27Å; W219-Y223 AromaticContact NE1-CE2 3.54Å; W219-Y223 WeakPolarHBondContact O-CD2 3.41Å; W219-Y223 PolarHBondContact O-N 2.96Å; K220-Y223 PolarHBondContact O-N 3.04Å
224	I	98.9	Very high	98.7	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.015	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	122.7	-174.4	-51.6	-57.6	0	0	0	110.6	I185 L198 L212 W219 K220 V330	I185-I224 HydrophobicContact CD1-CD1 4.19Å; I185-I224 HydrophobicContact CG2-CD1 3.86Å; L198-I224 HydrophobicContact CD1-CD1 4.04Å; L198-I224 HydrophobicContact CD1-CG2 4.4Å; L198-I224 HydrophobicContact CD2-CD1 4.41Å; L198-I224 HydrophobicContact CG-CD1 4.27Å; L212-I224 HydrophobicContact CD2-CG1 4.16Å; W219-I224 HydrophobicContact CE3-CG1 4.45Å; W219-I224 HydrophobicContact CH2-CD1 3.9Å; W219-I224 HydrophobicContact CH2-CG1 4.3Å; W219-I224 HydrophobicContact CZ3-CD1 3.83Å; W219-I224 HydrophobicContact CZ3-CG1 3.72Å; K220-I224 WeakPolarHBondContact O-CA 3.38Å; K220-I224 WeakPolarHBondContact O-CB 3.35Å; K220-I224 PolarHBondContact O-N 2.81Å; I224-V330 HydrophobicContact CB-CG1 3.94Å; I224-V330 HydrophobicContact CG2-CB 4.09Å; I224-V330 HydrophobicContact CG2-CG1 3.79Å; I224-V330 HydrophobicContact CG2-CG2 4.33Å
225	Q	98.3	Very high	98.7	Very high	42 Å²	42	26.6 Å²	26.6	20%	0.196	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	-56	176	-179.3	163.2	-47.4	0	0	109.8	R195 V196 V197	R195-Q225 HydrophobicContact CB-CB 3.7Å; V196-Q225 PolarHBondContact O-N 3.38Å; V197-Q225 HydrophobicContact CG2-CB 4.01Å; V197-Q225 HydrophobicContact CG2-CG 4.23Å
226	T	98.4	Very high	98.7	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.031	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	162	178.8	-165.2	0	0	0	0	111.2	V197 L198 I228 A331 H333 V413	V197-T226 WeakPolarHBondContact CA-O 3.45Å; V197-T226 HydrophobicContact CB-CG2 4.37Å; V197-T226 HydrophobicContact CG1-CG2 3.74Å; V197-T226 HydrophobicContact CG2-CG2 3.94Å; L198-T226 PolarHBondContact N-O 2.95Å; T226-I228 HydrophobicContact CG2-CG1 4.21Å; T226-A331 CarbonylContact C-O 3.57Å; T226-A331 WeakPolarHBondContact CA-O 3.42Å; T226-A331 PolarHBondContact OG1-O 2.92Å; T226-H333 PolarHBondContact OG1-CD2 2.94Å; T226-H333 VanDerWaalsContact OG1-CD2 3.23Å; T226-V413 HydrophobicContact CG2-CG1 3.77Å
227	F	98.9	Very high	98.7	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	111.9	174.8	176.8	-155.3	0	0	0	109.6	L198 A200 N205 T208 L212 C229 W234 V330 A331 V332 H333	L198-F227 HydrophobicContact CB-CD2 4.06Å; L198-F227 CarbonylContact O-C 3.5Å; L198-F227 WeakPolarHBondContact O-CA 3.45Å; A200-F227 HydrophobicContact CB-CE2 3.72Å; A200-F227 HydrophobicContact CB-CZ 4.3Å; N205-F227 HydrophobicContact CB-CZ 4.32Å; T208-F227 HydrophobicContact CG2-CD1 4.16Å; T208-F227 HydrophobicContact CG2-CD2 3.85Å; T208-F227 HydrophobicContact CG2-CE1 3.84Å; T208-F227 HydrophobicContact CG2-CE2 3.55Å; T208-F227 HydrophobicContact CG2-CG 4.17Å; T208-F227 HydrophobicContact CG2-CZ 3.55Å; L212-F227 HydrophobicContact CD1-CD1 4.03Å; L212-F227 HydrophobicContact CD1-CG 4.44Å; F227-C229 WeakPolarHBondContact CE1-SG 3.34Å; F227-C229 HydrophobicContact CZ-CB 4.45Å; F227-C229 WeakPolarHBondContact CZ-SG 3.47Å; F227-W234 AromaticContact CE1-CH2 3.94Å; F227-W234 HydrophobicContact CE1-CH2 3.94Å; F227-W234 HydrophobicContact CZ-CH2 4.1Å; F227-V330 HydrophobicContact CB-CG2 3.89Å; F227-A331 PolarHBondContact N-O 2.97Å; F227-V332 CarbonylContact O-C 3.6Å; F227-V332 WeakPolarHBondContact O-CA 3.26Å; F227-H333 PolarHBondContact O-N 2.97Å
228	I	98.9	Very high	98.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	116.7	174.4	-52.1	-178.5	0	0	0	108.1	V197 L198 I199 A200 T226 L230 H333 L335 I410 V413	V197-I228 HydrophobicContact CG1-CD1 3.97Å; V197-I228 HydrophobicContact CG1-CG1 4.11Å; L198-I228 PolarHBondContact O-N 3.33Å; I199-I228 WeakPolarHBondContact CA-O 3.45Å; I199-I228 HydrophobicContact CD1-CD1 4.26Å; I199-I228 HydrophobicContact CG1-CB 4.18Å; I199-I228 HydrophobicContact CG1-CD1 4.16Å; I199-I228 HydrophobicContact CG1-CG1 4.45Å; I199-I228 HydrophobicContact CG2-CB 4.42Å; A200-I228 PolarHBondContact N-O 3.15Å; T226-I228 HydrophobicContact CG2-CG1 4.21Å; I228-L230 HydrophobicContact CG2-CD2 3.97Å; I228-H333 CarbonylContact C-O 3.57Å; I228-H333 WeakPolarHBondContact CA-O 3.49Å; I228-H333 HydrophobicContact CG1-CB 4.4Å; I228-L335 HydrophobicContact CG2-CD1 3.97Å; I228-I410 HydrophobicContact CD1-CG1 4.49Å; I228-I410 HydrophobicContact CG2-CG1 4.46Å; I228-V413 HydrophobicContact CD1-CB 4.05Å; I228-V413 HydrophobicContact CD1-CG1 3.83Å; I228-V413 HydrophobicContact CG1-CG1 4.32Å
229	C	98.9	Very high	98.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.6	-179.3	-45.7	0	0	0	0	109.3	N205 F227 P232 W234 H333 L335	N205-C229 WeakPolarHBondContact OD1-CA 3.23Å; N205-C229 WeakPolarHBondContact OD1-CB 3.45Å; F227-C229 WeakPolarHBondContact CE1-SG 3.34Å; F227-C229 HydrophobicContact CZ-CB 4.45Å; F227-C229 WeakPolarHBondContact CZ-SG 3.47Å; C229-P232 HydrophobicContact CB-CB 4.37Å; C229-P232 HydrophobicContact CB-CG 4.13Å; C229-W234 HydrophobicContact CB-CZ2 3.99Å; C229-H333 PolarHBondContact N-O 2.87Å; C229-L335 WeakPolarHBondContact O-CA 3.29Å; C229-L335 WeakPolarHBondContact O-CB 3.19Å; C229-L335 PolarHBondContact O-N 3.01Å
230	L	98.9	Very high	98.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	116.7	176.1	-52.1	-178.4	0	0	0	109.2	I145 I199 A200 H201 S202 N205 I228 L335 M400 L401 T406 I410	I145-L230 HydrophobicContact CD1-CD1 3.87Å; I199-L230 HydrophobicContact CG2-CD1 3.85Å; I199-L230 HydrophobicContact CG2-CG 4.2Å; A200-L230 WeakPolarHBondContact O-CB 3.47Å; A200-L230 PolarHBondContact O-N 2.86Å; H201-L230 CarbonylContact C-O 3.55Å; H201-L230 WeakPolarHBondContact CA-O 3.25Å; H201-L230 HydrophobicContact CB-CB 4.39Å; H201-L230 PolarHBondContact CD2-O 3.5Å; S202-L230 PolarHBondContact N-O 2.97Å; N205-L230 PolarHBondContact ND2-O 2.95Å; I228-L230 HydrophobicContact CG2-CD2 3.97Å; L230-L335 HydrophobicContact CD2-CB 3.96Å; L230-L335 HydrophobicContact CD2-CD1 4.49Å; L230-L335 HydrophobicContact CD2-CD2 3.75Å; L230-L335 HydrophobicContact CD2-CG 4.27Å; L230-M400 HydrophobicContact CB-SD 3.92Å; L230-L401 HydrophobicContact CD1-CD2 3.6Å; L230-T406 HydrophobicContact CD1-CG2 4.4Å; L230-T406 HydrophobicContact CD2-CG2 3.91Å; L230-I410 HydrophobicContact CD1-CD1 4.34Å
231	G	98.8	Very high	98.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.074	C	C	.	.	S	Bend	trans	55.4	48.8	177.2	0	0	0	0	0	115	S202 P233 L335 M400	S202-G231 WeakPolarHBondContact CA-O 3.3Å; G231-P233 WeakPolarHBondContact O-CD 3.36Å; G231-L335 PolarHBondContact N-O 3.17Å; G231-M400 PolarHBondContact N-SD 3.45Å; G231-M400 VanDerWaalsContact N-SD 3.4Å
232	P	98.7	Very high	98.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	6%	0.064	C	C	.	.			trans	-74.8	127.3	-171	30	-36	0	0	0	113.6	N205 C229 W234 L335 A373	N205-P232 HydrophobicContact CB-CB 3.71Å; C229-P232 HydrophobicContact CB-CB 4.37Å; C229-P232 HydrophobicContact CB-CG 4.13Å; P232-W234 VanDerWaalsContact C-N 3.25Å; P232-W234 HydrophobicContact CB-CD2 3.78Å; P232-W234 HydrophobicContact CB-CE3 4.39Å; P232-W234 HydrophobicContact CB-CG 4.18Å; P232-W234 HydrophobicContact CB-CH2 4.04Å; P232-W234 HydrophobicContact CB-CZ2 3.41Å; P232-W234 VanDerWaalsContact CB-CZ2 3.41Å; P232-W234 HydrophobicContact CB-CZ3 4.49Å; P232-W234 HydrophobicContact CG-CD2 4.34Å; P232-W234 VanDerWaalsContact CG-CE2 3.49Å; P232-W234 HydrophobicContact CG-CG 4.47Å; P232-W234 HydrophobicContact CG-CZ2 3.78Å; P232-W234 PolarHBondContact O-N 2.74Å; P232-L335 WeakPolarHBondContact CD-O 3.27Å; P232-A373 VanDerWaalsContact O-CA 3.26Å; P232-A373 WeakPolarHBondContact O-CA 3.46Å
233	P	98.7	Very high	98.5	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.006	4%	0.041	C	C	.	.			trans	-85.6	55.9	175.5	35.3	-35.1	0	0	0	112.1	S202 L206 G231 A235 G236 V237 L273 V368 S372	S202-P233 WeakPolarHBondContact O-CD 3.27Å; L206-P233 HydrophobicContact CD1-CG 4.29Å; L206-P233 HydrophobicContact CG-CG 4.43Å; G231-P233 WeakPolarHBondContact O-CD 3.36Å; P233-A235 PolarHBondContact O-N 2.86Å; P233-G236 PolarHBondContact O-N 3.11Å; P233-V237 HydrophobicContact CB-CG1 3.66Å; P233-L273 HydrophobicContact CB-CD2 4.35Å; P233-L273 HydrophobicContact CG-CD2 3.89Å; P233-V368 HydrophobicContact CB-CG1 4.19Å; P233-V368 HydrophobicContact CB-CG2 4.06Å; P233-S372 VanDerWaalsContact C-OG 3.25Å
234	W	98.8	Very high	98.5	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-34.8	-171.3	-63.2	123	0	0	0	114.8	N205 L206 L209 F227 C229 P232 L325 S372 A373 Q375 W379	N205-W234 HydrophobicContact CB-CH2 3.66Å; N205-W234 HydrophobicContact CB-CZ2 4.28Å; N205-W234 HydrophobicContact CB-CZ3 3.95Å; L206-W234 HydrophobicContact CD2-CE3 3.68Å; L206-W234 HydrophobicContact CD2-CZ3 4.1Å; L209-W234 HydrophobicContact CB-CZ3 3.94Å; L209-W234 HydrophobicContact CD2-CE3 3.91Å; L209-W234 HydrophobicContact CD2-CZ3 3.77Å; L209-W234 HydrophobicContact CG-CZ3 4.4Å; F227-W234 AromaticContact CE1-CH2 3.94Å; F227-W234 HydrophobicContact CE1-CH2 3.94Å; F227-W234 HydrophobicContact CZ-CH2 4.1Å; C229-W234 HydrophobicContact CB-CZ2 3.99Å; P232-W234 VanDerWaalsContact C-N 3.25Å; P232-W234 HydrophobicContact CB-CD2 3.78Å; P232-W234 HydrophobicContact CB-CE3 4.39Å; P232-W234 HydrophobicContact CB-CG 4.18Å; P232-W234 HydrophobicContact CB-CH2 4.04Å; P232-W234 HydrophobicContact CB-CZ2 3.41Å; P232-W234 VanDerWaalsContact CB-CZ2 3.41Å; P232-W234 HydrophobicContact CB-CZ3 4.49Å; P232-W234 HydrophobicContact CG-CD2 4.34Å; P232-W234 VanDerWaalsContact CG-CE2 3.49Å; P232-W234 HydrophobicContact CG-CG 4.47Å; P232-W234 HydrophobicContact CG-CZ2 3.78Å; P232-W234 PolarHBondContact O-N 2.74Å; W234-L325 HydrophobicContact CB-CD1 4.2Å; W234-L325 HydrophobicContact CB-CD2 4.11Å; W234-L325 HydrophobicContact CE3-CD2 4.32Å; W234-L325 WeakPolarHBondContact O-CD2 3.33Å; W234-S372 WeakPolarHBondContact CB-O 3.48Å; W234-S372 PolarHBondContact N-OG 2.62Å; W234-A373 PolarHBondContact NE1-O 2.76Å; W234-Q375 HydrophobicContact CB-CB 3.7Å; W234-Q375 HydrophobicContact CB-CG 4.24Å; W234-Q375 HydrophobicContact CG-CB 4.1Å; W234-W379 HydrophobicContact CD2-CH2 4.07Å; W234-W379 AromaticContact CE2-CH2 3.81Å; W234-W379 HydrophobicContact CE3-CH2 4.02Å; W234-W379 HydrophobicContact CE3-CZ2 4.41Å; W234-W379 AromaticContact CH2-CH2 3.61Å; W234-W379 HydrophobicContact CH2-CH2 3.61Å; W234-W379 HydrophobicContact CH2-CZ3 4.24Å; W234-W379 AromaticContact CZ2-CH2 3.59Å; W234-W379 HydrophobicContact CZ2-CH2 3.59Å; W234-W379 AromaticContact CZ2-CZ3 3.92Å; W234-W379 HydrophobicContact CZ2-CZ3 3.92Å; W234-W379 AromaticContact CZ3-CH2 3.83Å; W234-W379 HydrophobicContact CZ3-CH2 3.83Å
235	A	98.1	Very high	98.5	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	31.6	180	0	0	0	0	0	112.6	P233 P275 Y276 T279 W280 S372 Q375	P233-A235 PolarHBondContact O-N 2.86Å; A235-P275 WeakPolarHBondContact O-CA 3.43Å; A235-Y276 VanDerWaalsContact C-CD2 3.45Å; A235-Y276 PolarHBondContact O-N 2.8Å; A235-Y276 VanDerWaalsContact O-N 3.09Å; A235-T279 VanDerWaalsContact CB-CB 3.42Å; A235-T279 HydrophobicContact CB-CG2 3.64Å; A235-T279 WeakPolarHBondContact CB-OG1 3.47Å; A235-W280 PolarHBondContact O-NE1 3.12Å; A235-S372 WeakPolarHBondContact CA-OG 3.37Å; A235-S372 PolarHBondContact N-OG 3.07Å; A235-Q375 HydrophobicContact CB-CG 4.18Å
236	G	98.4	Very high	98.4	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.027	C	C	.	.			trans	72.5	-178	-176.8	0	0	0	0	0	113.2	P233 L273 S372	P233-G236 PolarHBondContact O-N 3.11Å; G236-L273 CarbonylContact C-O 3.59Å; G236-L273 WeakPolarHBondContact CA-O 3.38Å; G236-S372 PolarHBondContact N-OG 2.67Å; G236-S372 WeakPolarHBondContact O-CB 3.19Å; G236-S372 PolarHBondContact O-OG 3.12Å
237	V	98.6	Very high	98.3	Very high	10 Å²	10	5.6 Å²	5.6	6%	0.061	3%	0.026	C	C	.	.			trans	-132.2	139.7	-179.1	-59.1	0	0	0	0	109.5	P233 K239 T240 L273 P275 V368	P233-V237 HydrophobicContact CB-CG1 3.66Å; V237-K239 VanDerWaalsContact C-N 3.25Å; V237-K239 HydrophobicContact CG2-CB 4.41Å; V237-K239 PolarHBondContact O-N 2.83Å; V237-T240 HydrophobicContact CG2-CG2 3.69Å; V237-T240 PolarHBondContact O-N 2.89Å; V237-T240 PolarHBondContact O-OG1 3.37Å; V237-L273 PolarHBondContact N-O 3.34Å; V237-P275 WeakPolarHBondContact O-CD 3.28Å; V237-V368 HydrophobicContact CG1-CB 4.2Å; V237-V368 HydrophobicContact CG1-CG1 4.24Å; V237-V368 HydrophobicContact CG1-CG2 3.89Å
238	A	98.6	Very high	97.9	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-30.6	-179.4	0	0	0	0	0	112.4	T240 L241 P275 W280 P343 F346 N369	A238-T240 PolarHBondContact O-N 3.35Å; A238-L241 WeakPolarHBondContact O-CB 3.47Å; A238-L241 PolarHBondContact O-N 3.25Å; A238-P275 HydrophobicContact CB-CG 4.47Å; A238-W280 HydrophobicContact CB-CH2 3.57Å; A238-W280 HydrophobicContact CB-CZ2 4.26Å; A238-W280 HydrophobicContact CB-CZ3 4.17Å; A238-P343 WeakPolarHBondContact CB-O 3.24Å; A238-F346 HydrophobicContact CB-CE2 4.24Å; A238-F346 WeakPolarHBondContact O-CE2 3.17Å; A238-N369 PolarHBondContact N-OD1 3.29Å
239	K	97.9	Very high	97.2	Very high	36 Å²	36	7.5 Å²	7.5	16%	0.157	4%	0.036	C	C	.	.	H	α-helix	trans	-48.8	-33.4	178.6	176.7	170.1	166.5	165	0	114.2	V237 L241 R242 V243 D248 D250	V237-K239 VanDerWaalsContact C-N 3.25Å; V237-K239 HydrophobicContact CG2-CB 4.41Å; V237-K239 PolarHBondContact O-N 2.83Å; K239-L241 PolarHBondContact O-N 2.8Å; K239-R242 PolarHBondContact O-N 3.37Å; K239-R242 VanDerWaalsContact O-N 3.08Å; K239-V243 HydrophobicContact CG-CG2 4.2Å; K239-V243 WeakPolarHBondContact O-CG2 3.47Å; K239-V243 PolarHBondContact O-N 2.98Å; K239-V243 VanDerWaalsContact O-N 3.1Å; K239-D248 WeakPolarHBondContact CE-OD2 3.37Å; K239-D248 IonicContact NZ-OD2 3.59Å; K239-D250 WeakPolarHBondContact CE-OD1 3.34Å; K239-D250 IonicContact NZ-OD1 3.1Å; K239-D250 PolarHBondContact NZ-OD1 3.49Å
240	T	98.4	Very high	96.1	Very high	10 Å²	10	10.8 Å²	10.8	6%	0.061	5%	0.054	C	C	.	.	H	α-helix	trans	-60.4	-28.2	179.1	48.2	0	0	0	0	113.1	V237 A238 V243 V244 T270 L273 L274	V237-T240 HydrophobicContact CG2-CG2 3.69Å; V237-T240 PolarHBondContact O-N 2.89Å; V237-T240 PolarHBondContact O-OG1 3.37Å; A238-T240 PolarHBondContact O-N 3.35Å; T240-V243 WeakPolarHBondContact O-CB 3.36Å; T240-V243 PolarHBondContact O-N 3.09Å; T240-V244 WeakPolarHBondContact O-CG2 3.39Å; T240-V244 PolarHBondContact O-N 3.39Å; T240-T270 HydrophobicContact CG2-CG2 4.25Å; T240-T270 VanDerWaalsContact CG2-O 3.31Å; T240-T270 WeakPolarHBondContact CG2-O 3.49Å; T240-L273 HydrophobicContact CG2-CB 3.85Å; T240-L273 PolarHBondContact OG1-O 3.01Å; T240-L274 WeakPolarHBondContact OG1-CD2 3.29Å
241	L	98.6	Very high	94.9	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.01	9%	0.094	C	C	.	.	H	α-helix	trans	-64.9	-40.6	174.9	-71.4	163.7	0	0	0	112.2	A238 K239 T245 L274 P275 L286 V287 Y299 F302 F346	A238-L241 WeakPolarHBondContact O-CB 3.47Å; A238-L241 PolarHBondContact O-N 3.25Å; K239-L241 PolarHBondContact O-N 2.8Å; L241-T245 WeakPolarHBondContact O-CB 3.3Å; L241-T245 PolarHBondContact O-N 3.42Å; L241-T245 VanDerWaalsContact O-N 3.08Å; L241-T245 PolarHBondContact O-OG1 3.14Å; L241-L274 HydrophobicContact CD2-CD2 3.51Å; L241-L274 HydrophobicContact CG-CD2 3.69Å; L241-P275 HydrophobicContact CD1-CG 4.3Å; L241-L286 HydrophobicContact CD1-CB 3.46Å; L241-L286 VanDerWaalsContact CD1-CB 3.46Å; L241-L286 HydrophobicContact CD1-CD1 3.75Å; L241-L286 HydrophobicContact CD1-CG 4.2Å; L241-V287 HydrophobicContact CB-CG2 3.87Å; L241-V287 HydrophobicContact CD1-CG2 4.17Å; L241-V287 HydrophobicContact CD2-CG2 4.25Å; L241-V287 HydrophobicContact CG-CG2 4.34Å; L241-Y299 HydrophobicContact CD2-CD1 4.45Å; L241-Y299 HydrophobicContact CD2-CE1 3.92Å; L241-F302 HydrophobicContact CD2-CD1 4.18Å; L241-F302 HydrophobicContact CD2-CE1 3.6Å; L241-F302 HydrophobicContact CD2-CE2 4.45Å; L241-F302 HydrophobicContact CD2-CZ 3.74Å; L241-F346 HydrophobicContact CB-CD2 4.1Å; L241-F346 HydrophobicContact CB-CE2 4.05Å
242	R	98	Very high	93.6	Very high	45 Å²	45	22.8 Å²	22.8	17%	0.17	11%	0.112	C	C	.	.	H	α-helix	trans	-66.2	-45	172.2	176.3	-178.7	172.8	-139.5	5.7	111.2	K239 V244 T245 S246 G247 D248 F346 E356 P357	K239-R242 PolarHBondContact O-N 3.37Å; K239-R242 VanDerWaalsContact O-N 3.08Å; R242-V244 PolarHBondContact O-N 2.98Å; R242-T245 CarbonylContact O-C 3.59Å; R242-T245 PolarHBondContact O-N 2.87Å; R242-S246 PolarHBondContact O-N 3.31Å; R242-G247 PolarHBondContact O-N 3.2Å; R242-D248 IonicContact CZ-OD1 3.42Å; R242-D248 IonicContact CZ-OD2 3.74Å; R242-D248 VanDerWaalsContact NH1-CG 3.3Å; R242-D248 IonicContact NH1-OD1 2.82Å; R242-D248 PolarHBondContact NH1-OD1 2.85Å; R242-D248 IonicContact NH1-OD2 3.72Å; R242-D248 PolarHBondContact NH1-OD2 2.94Å; R242-D248 IonicContact NH2-OD1 3.82Å; R242-F346 HydrophobicContact CB-CD1 3.77Å; R242-F346 HydrophobicContact CB-CD2 4.48Å; R242-F346 HydrophobicContact CB-CE1 3.56Å; R242-F346 HydrophobicContact CB-CE2 4.33Å; R242-F346 HydrophobicContact CB-CG 4.24Å; R242-F346 HydrophobicContact CB-CZ 3.88Å; R242-F346 HydrophobicContact CG-CD1 4.34Å; R242-F346 HydrophobicContact CG-CE1 4.28Å; R242-E356 IonicContact CZ-OE2 3.52Å; R242-E356 IonicContact NE-OE2 3.65Å; R242-E356 PolarHBondContact NE-OE2 3.19Å; R242-E356 IonicContact NH2-OE2 2.84Å; R242-E356 PolarHBondContact NH2-OE2 2.76Å; R242-P357 HydrophobicContact CG-CG 4.23Å
243	V	97.7	Very high	92.2	Very high	13 Å²	13	27.8 Å²	27.8	8%	0.079	14%	0.144	C	C	.	.	H	α-helix	trans	-54.4	-50.1	179	171.8	0	0	0	0	111.3	K239 T240 T245 G247 D248 Q264 T270	K239-V243 HydrophobicContact CG-CG2 4.2Å; K239-V243 WeakPolarHBondContact O-CG2 3.47Å; K239-V243 PolarHBondContact O-N 2.98Å; K239-V243 VanDerWaalsContact O-N 3.1Å; T240-V243 WeakPolarHBondContact O-CB 3.36Å; T240-V243 PolarHBondContact O-N 3.09Å; V243-T245 VanDerWaalsContact C-N 3.34Å; V243-T245 PolarHBondContact O-N 3.34Å; V243-G247 VanDerWaalsContact O-CA 3.24Å; V243-G247 WeakPolarHBondContact O-CA 3.38Å; V243-G247 PolarHBondContact O-N 3.33Å; V243-D248 HydrophobicContact CG2-CB 3.77Å; V243-Q264 HydrophobicContact CG1-CB 3.59Å; V243-Q264 HydrophobicContact CG1-CG 3.98Å; V243-T270 HydrophobicContact CB-CG2 4.28Å; V243-T270 HydrophobicContact CG1-CG2 3.67Å
244	V	98.3	Very high	91.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-76.1	-21.7	178.8	-57.1	0	0	0	0	112.9	T240 R242 R265 T270 F302 Y303 I306	T240-V244 WeakPolarHBondContact O-CG2 3.39Å; T240-V244 PolarHBondContact O-N 3.39Å; R242-V244 PolarHBondContact O-N 2.98Å; V244-R265 HydrophobicContact CB-CG 4.42Å; V244-R265 PolarHBondContact O-NE 3.31Å; V244-R265 PolarHBondContact O-NH2 2.93Å; V244-T270 HydrophobicContact CG1-CG2 3.55Å; V244-F302 HydrophobicContact CG2-CE1 3.65Å; V244-F302 HydrophobicContact CG2-CZ 3.83Å; V244-Y303 HydrophobicContact CG2-CE1 4.37Å; V244-I306 HydrophobicContact CB-CD1 4.36Å; V244-I306 HydrophobicContact CG2-CD1 4.1Å
245	T	98.1	Very high	90.6	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-82.6	-71	179.3	-57.2	0	0	0	0	112.1	L241 R242 V243 R261 F302 I306 Y348 F352 P353	L241-T245 WeakPolarHBondContact O-CB 3.3Å; L241-T245 PolarHBondContact O-N 3.42Å; L241-T245 VanDerWaalsContact O-N 3.08Å; L241-T245 PolarHBondContact O-OG1 3.14Å; R242-T245 CarbonylContact O-C 3.59Å; R242-T245 PolarHBondContact O-N 2.87Å; V243-T245 VanDerWaalsContact C-N 3.34Å; V243-T245 PolarHBondContact O-N 3.34Å; T245-R261 WeakPolarHBondContact O-CD 3.39Å; T245-R261 PolarHBondContact O-NH1 3.4Å; T245-F302 WeakPolarHBondContact OG1-CE2 3.49Å; T245-F302 WeakPolarHBondContact OG1-CZ 3.28Å; T245-I306 HydrophobicContact CG2-CG2 4.34Å; T245-Y348 WeakPolarHBondContact CB-OH 3.28Å; T245-Y348 HydrophobicContact CG2-CD1 4.39Å; T245-Y348 HydrophobicContact CG2-CE1 3.7Å; T245-Y348 HydrophobicContact CG2-CE2 3.82Å; T245-Y348 WeakPolarHBondContact CG2-OH 2.98Å; T245-F352 HydrophobicContact CG2-CD2 3.79Å; T245-F352 HydrophobicContact CG2-CE2 3.41Å; T245-F352 VanDerWaalsContact CG2-CE2 3.41Å; T245-F352 HydrophobicContact CG2-CZ 4.24Å; T245-P353 CarbonylContact C-O 3.49Å; T245-P353 HydrophobicContact CG2-CB 3.62Å; T245-P353 VanDerWaalsContact O-O 3.08Å
246	S	96.9	Very high	90.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-4.6	-174.3	57.7	0	0	0	0	113.7	R242 P257 Y348 P353 E356	R242-S246 PolarHBondContact O-N 3.31Å; S246-P257 CarbonylContact O-C 3.58Å; S246-P257 WeakPolarHBondContact O-CB 3.15Å; S246-Y348 PolarHBondContact OG-OH 3.31Å; S246-Y348 VanDerWaalsContact OG-OH 3.13Å; S246-P353 WeakPolarHBondContact CA-O 3.25Å; S246-E356 WeakPolarHBondContact CB-OE1 3.25Å; S246-E356 PolarHBondContact OG-OE1 3.16Å
247	G	95.9	Very high	89.9	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.207	C	C	.	.			trans	82.2	159.3	-170.5	0	0	0	0	0	111.8	R242 V243 P257	R242-G247 PolarHBondContact O-N 3.2Å; V243-G247 VanDerWaalsContact O-CA 3.24Å; V243-G247 WeakPolarHBondContact O-CA 3.38Å; V243-G247 PolarHBondContact O-N 3.33Å; G247-P257 WeakPolarHBondContact CA-O 3.47Å
248	D	91.7	Very high	89.7	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.016	22%	0.221	C	C	.	.			trans	-131	127.8	170.5	-159	-25.4	0	0	0	108.5	K239 R242 V243 D250 I260 Q264	K239-D248 WeakPolarHBondContact CE-OD2 3.37Å; K239-D248 IonicContact NZ-OD2 3.59Å; R242-D248 IonicContact CZ-OD1 3.42Å; R242-D248 IonicContact CZ-OD2 3.74Å; R242-D248 VanDerWaalsContact NH1-CG 3.3Å; R242-D248 IonicContact NH1-OD1 2.82Å; R242-D248 PolarHBondContact NH1-OD1 2.85Å; R242-D248 IonicContact NH1-OD2 3.72Å; R242-D248 PolarHBondContact NH1-OD2 2.94Å; R242-D248 IonicContact NH2-OD1 3.82Å; V243-D248 HydrophobicContact CG2-CB 3.77Å; D248-D250 VanDerWaalsContact C-N 3.3Å; D248-D250 PolarHBondContact OD1-N 3.02Å; D248-I260 VanDerWaalsContact O-CG2 3.31Å; D248-I260 WeakPolarHBondContact O-CG2 3.35Å; D248-Q264 VanDerWaalsContact N-OE1 3.1Å; D248-Q264 PolarHBondContact O-NE2 2.96Å
249	N	83.8	Confident	89.4	Confident	37 Å²	37	45.4 Å²	45.4	20%	0.198	24%	0.238	C	C	.	.			trans	-92.4	6.4	175.8	66	-5.3	0	0	0	112.4	Q251 I252 I255 P257	N249-Q251 PolarHBondContact O-N 2.9Å; N249-Q251 PolarHBondContact OD1-N 3.4Å; N249-I252 VanDerWaalsContact O-CB 3.25Å; N249-I252 WeakPolarHBondContact O-CB 3.4Å; N249-I252 WeakPolarHBondContact O-CG1 3.13Å; N249-I252 PolarHBondContact O-N 2.97Å; N249-I255 HydrophobicContact CB-CB 4Å; N249-I255 HydrophobicContact CB-CG2 3.95Å; N249-I255 WeakPolarHBondContact CB-O 3.44Å; N249-I255 PolarHBondContact ND2-O 2.95Å; N249-I255 VanDerWaalsContact ND2-O 3.14Å; N249-P257 HydrophobicContact CB-CG 4.4Å
250	D	75.5	Confident	89.2	Confident	70 Å²	70	44.3 Å²	44.3	37%	0.374	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	33.3	-178.3	-68.3	-49.3	0	0	0	112.6	K239 D248 I252	K239-D250 WeakPolarHBondContact CE-OD1 3.34Å; K239-D250 IonicContact NZ-OD1 3.1Å; K239-D250 PolarHBondContact NZ-OD1 3.49Å; D248-D250 VanDerWaalsContact C-N 3.3Å; D248-D250 PolarHBondContact OD1-N 3.02Å; D250-I252 PolarHBondContact O-N 2.78Å; D250-I252 VanDerWaalsContact O-N 3.14Å
251	Q	72.8	Confident	89.1	Confident	179 Å²	179	45.4 Å²	45.4	84%	0.836	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.9	12.4	-175.6	-49.6	177.5	53.6	0	0	114.3	N249 P253	N249-Q251 PolarHBondContact O-N 2.9Å; N249-Q251 PolarHBondContact OD1-N 3.4Å; Q251-P253 WeakPolarHBondContact O-CD 3.38Å
252	I	72.1	Confident	89	Confident	73 Å²	73	48 Å²	48	37%	0.374	26%	0.255	S	S	.	.			trans	-70.4	113	172.7	-56.8	174.5	0	0	0	107.9	N249 D250 I255	N249-I252 VanDerWaalsContact O-CB 3.25Å; N249-I252 WeakPolarHBondContact O-CB 3.4Å; N249-I252 WeakPolarHBondContact O-CG1 3.13Å; N249-I252 PolarHBondContact O-N 2.97Å; D250-I252 PolarHBondContact O-N 2.78Å; D250-I252 VanDerWaalsContact O-N 3.14Å; I252-I255 HydrophobicContact CB-CD1 3.89Å; I252-I255 HydrophobicContact CB-CG1 4.37Å; I252-I255 HydrophobicContact CD1-CD1 4.15Å; I252-I255 HydrophobicContact CG2-CD1 3.61Å; I252-I255 HydrophobicContact CG2-CG1 3.98Å
253	P	69.4	Low	88.9	Confident	104 Å²	104	46.3 Å²	46.3	68%	0.675	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	152.3	-179.5	-22.2	34.8	0	0	0	110.9	Q251 I255	Q251-P253 WeakPolarHBondContact O-CD 3.38Å; P253-I255 PolarHBondContact O-N 3.03Å; P253-I255 VanDerWaalsContact O-N 3.16Å
254	L	79.4	Confident	88.8	Confident	141 Å²	141	46.6 Å²	46.6	74%	0.738	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	-11.1	176.8	-46.4	172.6	0	0	0	116.2	P88	P88-L254 HydrophobicContact CG-CB 4.04Å
255	I	84	Confident	88.8	Confident	11 Å²	11	48 Å²	48	6%	0.056	26%	0.255	C	S	.	.			trans	-82	122.8	169.1	-60.8	-176.3	0	0	0	109.3	L86 I91 N249 I252 P253 P257 I260	L86-I255 HydrophobicContact CB-CD1 4.06Å; L86-I255 HydrophobicContact CD1-CD1 4.32Å; I91-I255 HydrophobicContact CD1-CB 4.41Å; I91-I255 HydrophobicContact CD1-CD1 4.35Å; I91-I255 HydrophobicContact CD1-CG1 4.1Å; I91-I255 HydrophobicContact CD1-CG2 3.76Å; N249-I255 HydrophobicContact CB-CB 4Å; N249-I255 HydrophobicContact CB-CG2 3.95Å; N249-I255 WeakPolarHBondContact CB-O 3.44Å; N249-I255 PolarHBondContact ND2-O 2.95Å; N249-I255 VanDerWaalsContact ND2-O 3.14Å; I252-I255 HydrophobicContact CB-CD1 3.89Å; I252-I255 HydrophobicContact CB-CG1 4.37Å; I252-I255 HydrophobicContact CD1-CD1 4.15Å; I252-I255 HydrophobicContact CG2-CD1 3.61Å; I252-I255 HydrophobicContact CG2-CG1 3.98Å; P253-I255 PolarHBondContact O-N 3.03Å; P253-I255 VanDerWaalsContact O-N 3.16Å; I255-P257 WeakPolarHBondContact O-CD 3.34Å; I255-I260 HydrophobicContact CG2-CB 3.8Å; I255-I260 HydrophobicContact CG2-CG1 4.36Å; I255-I260 HydrophobicContact CG2-CG2 3.96Å
256	S	90.1	Very high	88.8	Confident	50 Å²	50	49.1 Å²	49.1	35%	0.35	26%	0.262	S	S	.	.			trans	-75.2	124.2	173.2	170.4	0	0	0	0	110.3	L258 K259 I260	S256-L258 VanDerWaalsContact C-N 3.31Å; S256-L258 PolarHBondContact O-N 2.79Å; S256-K259 PolarHBondContact O-N 2.89Å; S256-K259 VanDerWaalsContact O-N 3.09Å; S256-I260 PolarHBondContact O-N 2.96Å
257	P	92.6	Very high	88.9	Confident	29 Å²	29	49.3 Å²	49.3	19%	0.188	26%	0.264	C	S	.	.	H	α-helix	trans	-53	-45.7	176.5	-29.2	36.4	0	0	0	112.8	S246 G247 N249 I255 K259 I260 R261	S246-P257 CarbonylContact O-C 3.58Å; S246-P257 WeakPolarHBondContact O-CB 3.15Å; G247-P257 WeakPolarHBondContact CA-O 3.47Å; N249-P257 HydrophobicContact CB-CG 4.4Å; I255-P257 WeakPolarHBondContact O-CD 3.34Å; P257-K259 VanDerWaalsContact C-N 3.31Å; P257-K259 PolarHBondContact O-N 2.68Å; P257-I260 VanDerWaalsContact O-CG2 3.25Å; P257-I260 WeakPolarHBondContact O-CG2 3.46Å; P257-I260 PolarHBondContact O-N 2.85Å; P257-R261 VanDerWaalsContact O-CB 3.3Å; P257-R261 WeakPolarHBondContact O-CB 3.31Å; P257-R261 PolarHBondContact O-N 3.37Å
258	L	94.2	Very high	89	Confident	70 Å²	70	49.5 Å²	49.5	37%	0.366	27%	0.265	S	S	.	.	H	α-helix	trans	-66	-31.5	-180	-60.7	179.6	0	0	0	113.4	S256 D354	S256-L258 VanDerWaalsContact C-N 3.31Å; S256-L258 PolarHBondContact O-N 2.79Å; L258-D354 HydrophobicContact CD1-CB 4.3Å; L258-D354 HydrophobicContact CD2-CB 4.23Å
259	K	92.8	Very high	89.3	Confident	80 Å²	80	49.3 Å²	49.3	35%	0.348	26%	0.264	S	S	.	.	H	α-helix	trans	-70.3	-52.6	174.1	-73	-169.3	164.8	-146.5	0	110.5	I91 D92 I95 S256 P257 R261 S262	I91-K259 HydrophobicContact CG2-CD 4.36Å; D92-K259 VanDerWaalsContact CG-NZ 3.28Å; D92-K259 IonicContact OD1-NZ 3.23Å; D92-K259 PolarHBondContact OD1-NZ 3.39Å; D92-K259 IonicContact OD2-NZ 3.24Å; D92-K259 PolarHBondContact OD2-NZ 3.45Å; I95-K259 HydrophobicContact CD1-CB 4.31Å; I95-K259 WeakPolarHBondContact CD1-O 3.12Å; S256-K259 PolarHBondContact O-N 2.89Å; S256-K259 VanDerWaalsContact O-N 3.09Å; P257-K259 VanDerWaalsContact C-N 3.31Å; P257-K259 PolarHBondContact O-N 2.68Å; K259-R261 PolarHBondContact O-N 2.89Å; K259-S262 WeakPolarHBondContact O-CB 3.42Å; K259-S262 PolarHBondContact O-N 3.1Å; K259-S262 VanDerWaalsContact O-N 3.07Å; K259-S262 PolarHBondContact O-OG 2.91Å
260	I	93.6	Very high	90	Very high	14 Å²	14	48 Å²	48	7%	0.072	26%	0.257	C	S	.	.	H	α-helix	trans	-65.4	-29.5	-177.9	-166.8	62.4	0	0	0	112.2	I91 W94 D248 I255 S256 P257 S262 Q263 Q264	I91-I260 HydrophobicContact CD1-CD1 4.47Å; W94-I260 HydrophobicContact CE3-CD1 4.4Å; W94-I260 HydrophobicContact CH2-CD1 4.06Å; W94-I260 HydrophobicContact CZ3-CD1 3.47Å; W94-I260 VanDerWaalsContact CZ3-CD1 3.47Å; D248-I260 VanDerWaalsContact O-CG2 3.31Å; D248-I260 WeakPolarHBondContact O-CG2 3.35Å; I255-I260 HydrophobicContact CG2-CB 3.8Å; I255-I260 HydrophobicContact CG2-CG1 4.36Å; I255-I260 HydrophobicContact CG2-CG2 3.96Å; S256-I260 PolarHBondContact O-N 2.96Å; P257-I260 VanDerWaalsContact O-CG2 3.25Å; P257-I260 WeakPolarHBondContact O-CG2 3.46Å; P257-I260 PolarHBondContact O-N 2.85Å; I260-S262 PolarHBondContact O-N 3.25Å; I260-S262 VanDerWaalsContact O-N 3.09Å; I260-Q263 PolarHBondContact O-N 3.37Å; I260-Q264 HydrophobicContact CG1-CG 4.13Å; I260-Q264 WeakPolarHBondContact O-CG 3.36Å; I260-Q264 PolarHBondContact O-N 2.96Å
261	R	96.6	Very high	91	Very high	32 Å²	32	44.7 Å²	44.7	12%	0.121	24%	0.239	C	C	.	.	H	α-helix	trans	-48.7	-37.6	170.5	-174.5	178.2	67.7	-178.3	-0.1	112.6	T245 P257 K259 Q263 Q264 R265 P353 D354	T245-R261 WeakPolarHBondContact O-CD 3.39Å; T245-R261 PolarHBondContact O-NH1 3.4Å; P257-R261 VanDerWaalsContact O-CB 3.3Å; P257-R261 WeakPolarHBondContact O-CB 3.31Å; P257-R261 PolarHBondContact O-N 3.37Å; K259-R261 PolarHBondContact O-N 2.89Å; R261-Q263 VanDerWaalsContact C-N 3.31Å; R261-Q263 PolarHBondContact O-N 3.08Å; R261-Q264 PolarHBondContact O-N 2.92Å; R261-R265 HydrophobicContact CG-CG 4.1Å; R261-R265 WeakPolarHBondContact O-CB 3.47Å; R261-R265 WeakPolarHBondContact O-CG 3.36Å; R261-R265 PolarHBondContact O-N 3.21Å; R261-P353 PolarHBondContact NH1-O 2.83Å; R261-D354 IonicContact CZ-OD1 2.83Å; R261-D354 VanDerWaalsContact CZ-OD1 3.23Å; R261-D354 IonicContact NH1-OD1 3.9Å; R261-D354 PolarHBondContact NH1-OD1 3.35Å; R261-D354 IonicContact NH2-OD1 3.62Å; R261-D354 PolarHBondContact NH2-OD1 3.49Å
262	S	95.3	Very high	92.2	Very high	57 Å²	57	36.2 Å²	36.2	40%	0.399	20%	0.2	S	C	.	.	H	α-helix	trans	-65	-33.2	-179.2	68.9	0	0	0	0	113	I95 K259 I260 T266	I95-S262 VanDerWaalsContact CG2-OG 3.31Å; I95-S262 WeakPolarHBondContact CG2-OG 3.49Å; K259-S262 WeakPolarHBondContact O-CB 3.42Å; K259-S262 PolarHBondContact O-N 3.1Å; K259-S262 VanDerWaalsContact O-N 3.07Å; K259-S262 PolarHBondContact O-OG 2.91Å; I260-S262 PolarHBondContact O-N 3.25Å; I260-S262 VanDerWaalsContact O-N 3.09Å; S262-T266 WeakPolarHBondContact O-CG2 3.34Å
263	Q	95.9	Very high	93.5	Very high	10 Å²	10	33.3 Å²	33.3	5%	0.047	19%	0.185	C	C	.	.	H	α-helix	trans	-80	-45.2	170.9	-177.7	-79.9	-22.9	0	0	110.7	W94 I95 M98 I260 R261 R265 T266 A267	W94-Q263 HydrophobicContact CH2-CG 3.93Å; W94-Q263 HydrophobicContact CZ3-CB 4.05Å; W94-Q263 HydrophobicContact CZ3-CG 3.72Å; I95-Q263 HydrophobicContact CB-CB 4.49Å; I95-Q263 HydrophobicContact CG1-CB 4.08Å; I95-Q263 HydrophobicContact CG2-CB 4.23Å; M98-Q263 HydrophobicContact CB-CG 4.09Å; M98-Q263 HydrophobicContact CG-CG 3.82Å; I260-Q263 PolarHBondContact O-N 3.37Å; R261-Q263 VanDerWaalsContact C-N 3.31Å; R261-Q263 PolarHBondContact O-N 3.08Å; Q263-R265 VanDerWaalsContact C-N 3.31Å; Q263-R265 PolarHBondContact O-N 3.45Å; Q263-T266 WeakPolarHBondContact O-CB 3.24Å; Q263-T266 PolarHBondContact O-N 3.25Å; Q263-T266 PolarHBondContact O-OG1 2.73Å; Q263-A267 PolarHBondContact O-N 3.14Å
264	Q	96.6	Very high	94.9	Very high	19 Å²	19	28.3 Å²	28.3	9%	0.089	15%	0.153	C	C	.	.	H	α-helix	trans	-60.6	-37.3	-175.3	-72.4	171.5	-32.4	0	0	113.1	V243 D248 I260 R261 T266 A267 T270	V243-Q264 HydrophobicContact CG1-CB 3.59Å; V243-Q264 HydrophobicContact CG1-CG 3.98Å; D248-Q264 VanDerWaalsContact N-OE1 3.1Å; D248-Q264 PolarHBondContact O-NE2 2.96Å; I260-Q264 HydrophobicContact CG1-CG 4.13Å; I260-Q264 WeakPolarHBondContact O-CG 3.36Å; I260-Q264 PolarHBondContact O-N 2.96Å; R261-Q264 PolarHBondContact O-N 2.92Å; Q264-T266 VanDerWaalsContact C-N 3.26Å; Q264-T266 PolarHBondContact O-N 2.92Å; Q264-A267 PolarHBondContact O-N 3.16Å; Q264-T270 PolarHBondContact O-OG1 3.41Å
265	R	98.1	Very high	95.8	Very high	29 Å²	29	21.6 Å²	21.6	11%	0.109	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-32.7	173.3	-79.9	-178.2	175.7	-171.9	-2.5	112.5	V244 R261 Q263 I306 F308	V244-R265 HydrophobicContact CB-CG 4.42Å; V244-R265 PolarHBondContact O-NE 3.31Å; V244-R265 PolarHBondContact O-NH2 2.93Å; R261-R265 HydrophobicContact CG-CG 4.1Å; R261-R265 WeakPolarHBondContact O-CB 3.47Å; R261-R265 WeakPolarHBondContact O-CG 3.36Å; R261-R265 PolarHBondContact O-N 3.21Å; Q263-R265 VanDerWaalsContact C-N 3.31Å; Q263-R265 PolarHBondContact O-N 3.45Å; R265-I306 PolarHBondContact NH1-O 3.22Å; R265-I306 PolarHBondContact NH2-O 2.74Å; R265-I306 VanDerWaalsContact NH2-O 3.14Å; R265-F308 HydrophobicContact CB-CD1 4.05Å; R265-F308 HydrophobicContact CB-CE1 3.7Å; R265-F308 HydrophobicContact CB-CE2 4.29Å; R265-F308 HydrophobicContact CB-CZ 3.86Å; R265-F308 HydrophobicContact CG-CD1 3.83Å; R265-F308 HydrophobicContact CG-CE1 3.94Å; R265-F308 HydrophobicContact CG-CG 4.33Å; R265-F308 WeakPolarHBondContact O-CE1 3.24Å; R265-F308 WeakPolarHBondContact O-CZ 3.48Å
266	T	98.1	Very high	96.5	Very high	24 Å²	24	21.2 Å²	21.2	15%	0.147	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-22.8	-176.9	70.9	0	0	0	0	112.6	R99 L100 S262 Q263 Q264 V268	R99-T266 WeakPolarHBondContact CA-OG1 3.45Å; R99-T266 HydrophobicContact CB-CG2 4.02Å; L100-T266 WeakPolarHBondContact CB-O 3.35Å; L100-T266 PolarHBondContact N-OG1 3.42Å; L100-T266 VanDerWaalsContact N-OG1 3.12Å; L100-T266 WeakPolarHBondContact O-CB 3.31Å; S262-T266 WeakPolarHBondContact O-CG2 3.34Å; Q263-T266 WeakPolarHBondContact O-CB 3.24Å; Q263-T266 PolarHBondContact O-N 3.25Å; Q263-T266 PolarHBondContact O-OG1 2.73Å; Q264-T266 VanDerWaalsContact C-N 3.26Å; Q264-T266 PolarHBondContact O-N 2.92Å; T266-V268 PolarHBondContact O-N 3.27Å
267	A	98.2	Very high	96.8	Very high	4 Å²	4	20.9 Å²	20.9	3%	0.033	12%	0.115	C	C	.	.			trans	-70	112	173.2	0	0	0	0	0	109.7	R168 Q263 Q264 S269 T270	R168-A267 HydrophobicContact CB-CB 4.36Å; R168-A267 CarbonylContact O-C 3.52Å; R168-A267 WeakPolarHBondContact O-CA 3.36Å; Q263-A267 PolarHBondContact O-N 3.14Å; Q264-A267 PolarHBondContact O-N 3.16Å; A267-S269 PolarHBondContact O-N 3.03Å; A267-T270 WeakPolarHBondContact O-CB 3.45Å; A267-T270 PolarHBondContact O-N 3.36Å; A267-T270 VanDerWaalsContact O-N 3.12Å; A267-T270 PolarHBondContact O-OG1 3.02Å
268	V	98	Very high	96.9	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.018	12%	0.119	C	C	.	.	H	α-helix	trans	-59.4	-32.3	178.6	175.7	0	0	0	0	111.2	L100 S109 R168 A170 T266 T270 T271 W272 M314 T318	L100-V268 HydrophobicContact CD1-CG2 4.44Å; S109-V268 WeakPolarHBondContact OG-CG2 3.49Å; R168-V268 PolarHBondContact O-N 3.29Å; A170-V268 HydrophobicContact CB-CG1 3.88Å; T266-V268 PolarHBondContact O-N 3.27Å; V268-T270 VanDerWaalsContact C-N 3.27Å; V268-T270 PolarHBondContact O-N 3.19Å; V268-T271 PolarHBondContact O-N 3.19Å; V268-W272 PolarHBondContact O-N 3.12Å; V268-M314 HydrophobicContact CG2-CE 4.39Å; V268-M314 HydrophobicContact CG2-CG 4.35Å; V268-M314 HydrophobicContact CG2-SD 4.26Å; V268-T318 HydrophobicContact CG1-CG2 3.56Å
269	S	98.3	Very high	96.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-54.6	-38.8	174.7	51.9	0	0	0	0	113.3	W167 R168 M203 A267 T271 W272 L273	W167-S269 WeakPolarHBondContact O-CB 3.25Å; W167-S269 PolarHBondContact O-OG 3.19Å; R168-S269 PolarHBondContact O-N 2.82Å; M203-S269 VanDerWaalsContact SD-CB 3.53Å; A267-S269 PolarHBondContact O-N 3.03Å; S269-T271 VanDerWaalsContact C-N 3.33Å; S269-T271 PolarHBondContact O-N 2.9Å; S269-W272 WeakPolarHBondContact O-CB 3.33Å; S269-W272 PolarHBondContact O-N 2.93Å; S269-L273 WeakPolarHBondContact O-CB 3.48Å; S269-L273 WeakPolarHBondContact O-CG 3.46Å; S269-L273 PolarHBondContact O-N 3.12Å
270	T	98	Very high	97.2	Very high	10 Å²	10	16.5 Å²	16.5	6%	0.061	9%	0.094	C	C	.	.	H	α-helix	trans	-56.9	-48.7	178.9	-53.6	0	0	0	0	111.3	T240 V243 V244 Q264 A267 V268 L273	T240-T270 HydrophobicContact CG2-CG2 4.25Å; T240-T270 VanDerWaalsContact CG2-O 3.31Å; T240-T270 WeakPolarHBondContact CG2-O 3.49Å; V243-T270 HydrophobicContact CB-CG2 4.28Å; V243-T270 HydrophobicContact CG1-CG2 3.67Å; V244-T270 HydrophobicContact CG1-CG2 3.55Å; Q264-T270 PolarHBondContact O-OG1 3.41Å; A267-T270 WeakPolarHBondContact O-CB 3.45Å; A267-T270 PolarHBondContact O-N 3.36Å; A267-T270 VanDerWaalsContact O-N 3.12Å; A267-T270 PolarHBondContact O-OG1 3.02Å; V268-T270 VanDerWaalsContact C-N 3.27Å; V268-T270 PolarHBondContact O-N 3.19Å; T270-L273 PolarHBondContact O-N 3.32Å
271	T	97.3	Very high	97.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-72.3	-35.6	-179	-65.8	0	0	0	0	111.9	V268 S269 L273 L274 Y303 G311 M314 R315	V268-T271 PolarHBondContact O-N 3.19Å; S269-T271 VanDerWaalsContact C-N 3.33Å; S269-T271 PolarHBondContact O-N 2.9Å; T271-L273 PolarHBondContact O-N 3.12Å; T271-L274 HydrophobicContact CG2-CD1 4.42Å; T271-L274 WeakPolarHBondContact O-CB 3.48Å; T271-L274 PolarHBondContact O-N 3.06Å; T271-Y303 VanDerWaalsContact CG2-OH 3.3Å; T271-Y303 WeakPolarHBondContact CG2-OH 3.43Å; T271-Y303 PolarHBondContact OG1-OH 3.36Å; T271-G311 VanDerWaalsContact CG2-O 3.25Å; T271-G311 WeakPolarHBondContact CG2-O 2.99Å; T271-M314 HydrophobicContact CG2-CB 3.96Å; T271-R315 HydrophobicContact CG2-CB 3.45Å; T271-R315 VanDerWaalsContact CG2-CB 3.45Å; T271-R315 HydrophobicContact CG2-CG 4.39Å; T271-R315 VanDerWaalsContact CG2-N 3.25Å; T271-R315 WeakPolarHBondContact O-CD 3.46Å; T271-R315 PolarHBondContact O-NH1 3.41Å
272	W	98.6	Very high	97.4	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.5	-37.3	173.9	-177.7	38.2	0	0	0	111.4	A170 P171 M203 L206 Y207 V268 S269 L274 Y276 R315 T318 V322	A170-W272 HydrophobicContact CB-CB 4.48Å; A170-W272 HydrophobicContact CB-CD2 4.22Å; A170-W272 HydrophobicContact CB-CE3 4.3Å; A170-W272 HydrophobicContact CB-CG 4.33Å; P171-W272 HydrophobicContact CG-CH2 3.36Å; P171-W272 HydrophobicContact CG-CZ2 3.74Å; P171-W272 HydrophobicContact CG-CZ3 3.99Å; M203-W272 HydrophobicContact CG-CE3 4.27Å; M203-W272 HydrophobicContact CG-CZ3 3.75Å; M203-W272 HydrophobicContact SD-CE3 4.01Å; M203-W272 HydrophobicContact SD-CZ3 3.97Å; L206-W272 HydrophobicContact CB-CH2 3.32Å; L206-W272 HydrophobicContact CB-CZ2 3.68Å; L206-W272 HydrophobicContact CB-CZ3 4.06Å; L206-W272 HydrophobicContact CD1-CH2 4.17Å; L206-W272 HydrophobicContact CD1-CZ2 4.17Å; L206-W272 HydrophobicContact CD1-CZ3 4.38Å; L206-W272 HydrophobicContact CG-CH2 4.4Å; Y207-W272 AromaticContact CD2-CH2 3.89Å; Y207-W272 HydrophobicContact CD2-CH2 3.89Å; Y207-W272 AromaticContact CD2-CZ3 3.69Å; Y207-W272 HydrophobicContact CD2-CZ3 3.69Å; Y207-W272 HydrophobicContact CE2-CH2 4.09Å; Y207-W272 AromaticContact CE2-CZ3 3.54Å; Y207-W272 HydrophobicContact CE2-CZ3 3.54Å; V268-W272 PolarHBondContact O-N 3.12Å; S269-W272 WeakPolarHBondContact O-CB 3.33Å; S269-W272 PolarHBondContact O-N 2.93Å; W272-L274 VanDerWaalsContact C-N 3.28Å; W272-L274 PolarHBondContact O-N 2.96Å; W272-Y276 VanDerWaalsContact CD1-OH 3.23Å; W272-Y276 PolarHBondContact NE1-OH 2.74Å; W272-Y276 WeakPolarHBondContact O-CE2 3.1Å; W272-Y276 PolarHBondContact O-OH 3.38Å; W272-Y276 VanDerWaalsContact O-OH 3.06Å; W272-R315 PolarHBondContact O-NH1 2.79Å; W272-T318 HydrophobicContact CB-CG2 4.47Å; W272-T318 PolarHBondContact NE1-O 3.44Å; W272-V322 HydrophobicContact CZ2-CG1 4.26Å; W272-V322 HydrophobicContact CZ2-CG2 3.92Å
273	L	98.7	Very high	97.4	Very high	12 Å²	12	26.8 Å²	26.8	6%	0.063	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	10.7	179.6	-67.9	176.4	0	0	0	114.9	M203 L206 P233 G236 V237 T240 S269 T270 T271	M203-L273 HydrophobicContact CB-CD1 4.26Å; M203-L273 HydrophobicContact CG-CD1 4.25Å; M203-L273 HydrophobicContact CG-CD2 4.36Å; M203-L273 HydrophobicContact SD-CD1 3.81Å; M203-L273 HydrophobicContact SD-CG 4.29Å; L206-L273 HydrophobicContact CD1-CD2 3.36Å; P233-L273 HydrophobicContact CB-CD2 4.35Å; P233-L273 HydrophobicContact CG-CD2 3.89Å; G236-L273 CarbonylContact C-O 3.59Å; G236-L273 WeakPolarHBondContact CA-O 3.38Å; V237-L273 PolarHBondContact N-O 3.34Å; T240-L273 HydrophobicContact CG2-CB 3.85Å; T240-L273 PolarHBondContact OG1-O 3.01Å; S269-L273 WeakPolarHBondContact O-CB 3.48Å; S269-L273 WeakPolarHBondContact O-CG 3.46Å; S269-L273 PolarHBondContact O-N 3.12Å; T270-L273 PolarHBondContact O-N 3.32Å; T271-L273 PolarHBondContact O-N 3.12Å
274	L	98.6	Very high	97.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-61.1	149.9	170.3	-81.9	176.4	0	0	0	111.9	T240 L241 T271 W272 Y276 Y299 Y303 R315	T240-L274 WeakPolarHBondContact OG1-CD2 3.29Å; L241-L274 HydrophobicContact CD2-CD2 3.51Å; L241-L274 HydrophobicContact CG-CD2 3.69Å; T271-L274 HydrophobicContact CG2-CD1 4.42Å; T271-L274 WeakPolarHBondContact O-CB 3.48Å; T271-L274 PolarHBondContact O-N 3.06Å; W272-L274 VanDerWaalsContact C-N 3.28Å; W272-L274 PolarHBondContact O-N 2.96Å; L274-Y276 WeakPolarHBondContact O-CD2 3.41Å; L274-Y276 VanDerWaalsContact O-CE2 3.28Å; L274-Y276 WeakPolarHBondContact O-CE2 3.36Å; L274-Y276 PolarHBondContact O-N 2.77Å; L274-Y299 HydrophobicContact CB-CE2 4.16Å; L274-Y299 HydrophobicContact CD1-CD1 4.37Å; L274-Y299 HydrophobicContact CD1-CD2 4.24Å; L274-Y299 HydrophobicContact CD1-CE1 4.37Å; L274-Y299 HydrophobicContact CD1-CE2 4.22Å; L274-Y299 HydrophobicContact CD1-CG 4.32Å; L274-Y299 HydrophobicContact CD2-CE1 4.42Å; L274-Y303 HydrophobicContact CD1-CE2 3.72Å; L274-Y303 WeakPolarHBondContact CD1-OH 3.46Å; L274-R315 PolarHBondContact O-NH1 3.03Å
275	P	98.6	Very high	97.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-51.9	132.4	175.2	-30.9	38.5	0	0	0	114	A235 V237 A238 L241 W280 L286 V296 Y299	A235-P275 WeakPolarHBondContact O-CA 3.43Å; V237-P275 WeakPolarHBondContact O-CD 3.28Å; A238-P275 HydrophobicContact CB-CG 4.47Å; L241-P275 HydrophobicContact CD1-CG 4.3Å; P275-W280 HydrophobicContact CB-CB 4.42Å; P275-W280 HydrophobicContact CB-CD2 3.71Å; P275-W280 HydrophobicContact CB-CE3 4.42Å; P275-W280 HydrophobicContact CB-CG 3.68Å; P275-W280 HydrophobicContact CB-CZ2 4.28Å; P275-W280 HydrophobicContact CG-CD2 4.38Å; P275-W280 HydrophobicContact CG-CZ2 4.2Å; P275-L286 HydrophobicContact CB-CD1 3.98Å; P275-L286 HydrophobicContact CG-CD1 4.03Å; P275-V296 HydrophobicContact CB-CG1 3.93Å; P275-Y299 VanDerWaalsContact CB-OH 3.29Å; P275-Y299 WeakPolarHBondContact CB-OH 3.37Å; P275-Y299 VanDerWaalsContact CD-OH 3.29Å; P275-Y299 WeakPolarHBondContact CD-OH 3.01Å; P275-Y299 WeakPolarHBondContact O-CE2 3.43Å; P275-Y299 PolarHBondContact O-OH 3.33Å
276	Y	98.3	Very high	97.6	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.008	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-96.5	137.8	-177.8	-73.6	-111.1	0	0	0	113.1	A235 W272 L274 H278 T279 W280 E319	A235-Y276 VanDerWaalsContact C-CD2 3.45Å; A235-Y276 PolarHBondContact O-N 2.8Å; A235-Y276 VanDerWaalsContact O-N 3.09Å; W272-Y276 VanDerWaalsContact CD1-OH 3.23Å; W272-Y276 PolarHBondContact NE1-OH 2.74Å; W272-Y276 WeakPolarHBondContact O-CE2 3.1Å; W272-Y276 PolarHBondContact O-OH 3.38Å; W272-Y276 VanDerWaalsContact O-OH 3.06Å; L274-Y276 WeakPolarHBondContact O-CD2 3.41Å; L274-Y276 VanDerWaalsContact O-CE2 3.28Å; L274-Y276 WeakPolarHBondContact O-CE2 3.36Å; L274-Y276 PolarHBondContact O-N 2.77Å; Y276-H278 WeakPolarHBondContact CB-NE2 3.38Å; Y276-H278 AromaticContact CD1-CD2 3.97Å; Y276-H278 AromaticContact CD1-NE2 3.61Å; Y276-H278 AromaticContact CG-NE2 3.6Å; Y276-H278 PolarHBondContact O-N 3Å; Y276-H278 VanDerWaalsContact O-N 3.16Å; Y276-T279 PolarHBondContact O-N 3.26Å; Y276-T279 VanDerWaalsContact O-N 3.14Å; Y276-W280 PolarHBondContact O-N 3.49Å; Y276-E319 HydrophobicContact CD1-CG 4.09Å; Y276-E319 HydrophobicContact CE1-CB 4.41Å; Y276-E319 HydrophobicContact CE1-CG 3.79Å
277	A	96.3	Very high	97.7	Very high	43 Å²	43	27.1 Å²	27.1	36%	0.355	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.8	-176.5	0	0	0	0	0	115	T279 V296	A277-T279 PolarHBondContact O-N 3.24Å; A277-V296 HydrophobicContact CB-CB 4.48Å; A277-V296 HydrophobicContact CB-CG2 4.1Å
278	H	94	Very high	97.7	Very high	58 Å²	58	29.7 Å²	29.7	27%	0.269	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-9	174.9	65.2	65.3	0	0	0	113.6	Y276 S323 L325 R378	Y276-H278 WeakPolarHBondContact CB-NE2 3.38Å; Y276-H278 AromaticContact CD1-CD2 3.97Å; Y276-H278 AromaticContact CD1-NE2 3.61Å; Y276-H278 AromaticContact CG-NE2 3.6Å; Y276-H278 PolarHBondContact O-N 3Å; Y276-H278 VanDerWaalsContact O-N 3.16Å; H278-S323 PolarHBondContact CD2-O 2.72Å; H278-S323 PolarHBondContact NE2-O 3.21Å; H278-L325 WeakPolarHBondContact CE1-CD1 3.43Å; H278-R378 PolarHBondContact O-NH1 2.66Å; H278-R378 PolarHBondContact O-NH2 3.1Å
279	T	95.9	Very high	97.7	Very high	26 Å²	26	30 Å²	30	16%	0.16	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.9	-42.3	-178	-68.9	0	0	0	0	112	A235 Y276 A277 R371 Q375	A235-T279 VanDerWaalsContact CB-CB 3.42Å; A235-T279 HydrophobicContact CB-CG2 3.64Å; A235-T279 WeakPolarHBondContact CB-OG1 3.47Å; Y276-T279 PolarHBondContact O-N 3.26Å; Y276-T279 VanDerWaalsContact O-N 3.14Å; A277-T279 PolarHBondContact O-N 3.24Å; T279-R371 WeakPolarHBondContact CG2-O 3.39Å; T279-Q375 HydrophobicContact CG2-CG 4.11Å; T279-Q375 VanDerWaalsContact CG2-NE2 3.26Å; T279-Q375 VanDerWaalsContact OG1-CD 3.29Å; T279-Q375 PolarHBondContact OG1-OE1 3.12Å
280	W	97.6	Very high	97.7	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.015	19%	0.189	C	C	.	.	S	Bend	trans	-80.8	134.5	-179.1	-70.9	81.7	0	0	0	110.4	A235 A238 P275 Y276 K282 L286 V296 E344 N369 R371	A235-W280 PolarHBondContact O-NE1 3.12Å; A238-W280 HydrophobicContact CB-CH2 3.57Å; A238-W280 HydrophobicContact CB-CZ2 4.26Å; A238-W280 HydrophobicContact CB-CZ3 4.17Å; P275-W280 HydrophobicContact CB-CB 4.42Å; P275-W280 HydrophobicContact CB-CD2 3.71Å; P275-W280 HydrophobicContact CB-CE3 4.42Å; P275-W280 HydrophobicContact CB-CG 3.68Å; P275-W280 HydrophobicContact CB-CZ2 4.28Å; P275-W280 HydrophobicContact CG-CD2 4.38Å; P275-W280 HydrophobicContact CG-CZ2 4.2Å; Y276-W280 PolarHBondContact O-N 3.49Å; W280-K282 PolarHBondContact O-N 3.37Å; W280-L286 HydrophobicContact CE3-CD2 3.68Å; W280-L286 HydrophobicContact CZ3-CD2 3.64Å; W280-V296 HydrophobicContact CB-CG1 3.64Å; W280-V296 HydrophobicContact CG-CG1 4.36Å; W280-E344 HydrophobicContact CZ3-CG 4.26Å; W280-N369 HydrophobicContact CH2-CB 3.94Å; W280-N369 VanDerWaalsContact CH2-CG 3.44Å; W280-N369 WeakPolarHBondContact CH2-OD1 3.35Å; W280-N369 HydrophobicContact CZ2-CB 3.9Å; W280-N369 WeakPolarHBondContact CZ2-OD1 3.33Å; W280-R371 HydrophobicContact CH2-CG 4.49Å; W280-R371 HydrophobicContact CZ2-CG 4.17Å
281	P	97.3	Very high	97.6	Very high	52 Å²	52	39.5 Å²	39.5	34%	0.338	22%	0.22	S	C	.	.			trans	-56	134	178	-22.3	30.9	0	0	0	111.3	D283 Q284	P281-D283 WeakPolarHBondContact CB-OD1 3.48Å; P281-D283 PolarHBondContact O-N 3.34Å; P281-Q284 HydrophobicContact CB-CB 3.9Å; P281-Q284 HydrophobicContact CG-CB 4.27Å; P281-Q284 PolarHBondContact O-N 2.8Å
282	K	97.1	Very high	97.6	Very high	131 Å²	131	41.8 Å²	41.8	57%	0.57	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-25.6	-175.6	-88.3	-173.4	-177.8	-172.8	0	114	W280 T295 Q297	W280-K282 PolarHBondContact O-N 3.37Å; K282-T295 PolarHBondContact O-OG1 2.86Å; K282-Q297 PolarHBondContact O-NE2 3.19Å; K282-Q297 VanDerWaalsContact O-NE2 3.12Å
283	D	96.8	Very high	97.6	Very high	135 Å²	135	45.9 Å²	45.9	72%	0.722	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-4.7	-177.3	60.6	-30.5	0	0	0	113	P281 V285	P281-D283 WeakPolarHBondContact CB-OD1 3.48Å; P281-D283 PolarHBondContact O-N 3.34Å; D283-V285 PolarHBondContact O-N 3.16Å
284	Q	97.6	Very high	97.6	Very high	37 Å²	37	45.6 Å²	45.6	17%	0.173	25%	0.253	C	S	.	.			trans	-69.8	120.4	176.2	176.9	175.3	-10.7	0	0	110	P281 L286 T295	P281-Q284 HydrophobicContact CB-CB 3.9Å; P281-Q284 HydrophobicContact CG-CB 4.27Å; P281-Q284 PolarHBondContact O-N 2.8Å; Q284-L286 HydrophobicContact CG-CD2 4.03Å; Q284-L286 PolarHBondContact O-N 2.86Å; Q284-T295 WeakPolarHBondContact O-CB 3.29Å; Q284-T295 WeakPolarHBondContact O-CG2 3.41Å
285	V	98.6	Very high	97.6	Very high	49 Å²	49	46.4 Å²	46.4	30%	0.297	26%	0.258	S	S	.	.			trans	-72.1	117.6	171	-177.2	0	0	0	0	109	D283 V287 Q288 N293	D283-V285 PolarHBondContact O-N 3.16Å; V285-V287 WeakPolarHBondContact CG1-O 3.48Å; V285-Q288 HydrophobicContact CG1-CB 3.99Å; V285-N293 HydrophobicContact CG1-CB 3.87Å; V285-N293 HydrophobicContact CG2-CB 3.93Å
286	L	98.6	Very high	97.6	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.016	26%	0.261	C	S	.	.	S	Bend	trans	-98.6	-34.8	178.3	-61.2	175.7	0	0	0	111.7	L241 P275 W280 Q284 Y294 V296 A345 F346	L241-L286 HydrophobicContact CD1-CB 3.46Å; L241-L286 VanDerWaalsContact CD1-CB 3.46Å; L241-L286 HydrophobicContact CD1-CD1 3.75Å; L241-L286 HydrophobicContact CD1-CG 4.2Å; P275-L286 HydrophobicContact CB-CD1 3.98Å; P275-L286 HydrophobicContact CG-CD1 4.03Å; W280-L286 HydrophobicContact CE3-CD2 3.68Å; W280-L286 HydrophobicContact CZ3-CD2 3.64Å; Q284-L286 HydrophobicContact CG-CD2 4.03Å; Q284-L286 PolarHBondContact O-N 2.86Å; L286-Y294 PolarHBondContact N-O 2.64Å; L286-V296 HydrophobicContact CD1-CG1 3.52Å; L286-A345 CarbonylContact O-C 3.47Å; L286-A345 VanDerWaalsContact O-CA 3.3Å; L286-A345 WeakPolarHBondContact O-CA 3.37Å; L286-F346 PolarHBondContact O-N 2.79Å
287	V	98.8	Very high	97.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130.2	171.8	-178.9	0	0	0	0	108.8	L241 V285 Y294 F302 F346 Y348 F352	L241-V287 HydrophobicContact CB-CG2 3.87Å; L241-V287 HydrophobicContact CD1-CG2 4.17Å; L241-V287 HydrophobicContact CD2-CG2 4.25Å; L241-V287 HydrophobicContact CG-CG2 4.34Å; V285-V287 WeakPolarHBondContact CG1-O 3.48Å; V287-Y294 HydrophobicContact CB-CD2 3.83Å; V287-Y294 HydrophobicContact CB-CG 4.45Å; V287-Y294 HydrophobicContact CG1-CD2 3.85Å; V287-Y294 HydrophobicContact CG1-CE2 4.35Å; V287-Y294 PolarHBondContact N-O 3.08Å; V287-Y294 WeakPolarHBondContact O-CD2 3.37Å; V287-Y294 PolarHBondContact O-N 3.08Å; V287-F302 HydrophobicContact CB-CE2 4.42Å; V287-F302 HydrophobicContact CG1-CE2 4.32Å; V287-F302 HydrophobicContact CG2-CE2 4.04Å; V287-F346 CarbonylContact C-O 3.58Å; V287-F346 WeakPolarHBondContact CA-O 3.34Å; V287-F346 HydrophobicContact CG2-CD2 4.34Å; V287-Y348 HydrophobicContact CG1-CD2 3.81Å; V287-Y348 HydrophobicContact CG1-CE2 3.95Å; V287-F352 HydrophobicContact CG1-CE2 4Å
288	Q	98.7	Very high	97.7	Very high	59 Å²	59	53.3 Å²	53.3	28%	0.276	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134	176.7	176.9	165.3	33.2	0	0	110	V285 N293 F346 R347 Y348	V285-Q288 HydrophobicContact CG1-CB 3.99Å; Q288-N293 WeakPolarHBondContact CG-OD1 3.34Å; Q288-F346 PolarHBondContact N-O 3.1Å; Q288-R347 HydrophobicContact CB-CG 4.42Å; Q288-R347 HydrophobicContact CG-CG 4.36Å; Q288-R347 CarbonylContact O-C 3.34Å; Q288-R347 WeakPolarHBondContact O-CA 3.39Å; Q288-Y348 PolarHBondContact O-N 3.08Å
289	T	98.3	Very high	97.9	Very high	10 Å²	10	50.9 Å²	50.9	6%	0.061	27%	0.274	C	S	.	.			trans	-124.5	173.2	171.3	73.7	0	0	0	0	109.1	T291 N292 Y294 F352	T289-T291 PolarHBondContact O-N 2.69Å; T289-T291 PolarHBondContact OG1-N 3.43Å; T289-T291 PolarHBondContact OG1-OG1 2.84Å; T289-N292 PolarHBondContact N-O 3.16Å; T289-N292 PolarHBondContact OG1-N 2.96Å; T289-N292 PolarHBondContact OG1-O 3.34Å; T289-Y294 HydrophobicContact CG2-CE2 3.89Å; T289-F352 HydrophobicContact CG2-CB 4.04Å; T289-F352 HydrophobicContact CG2-CD1 3.92Å; T289-F352 HydrophobicContact CG2-CD2 3.53Å; T289-F352 HydrophobicContact CG2-CE1 4.19Å; T289-F352 HydrophobicContact CG2-CE2 3.81Å; T289-F352 HydrophobicContact CG2-CG 3.56Å; T289-F352 HydrophobicContact CG2-CZ 4.12Å
290	P	97.8	Very high	98	Very high	91 Å²	91	55.3 Å²	55.3	59%	0.591	29%	0.292	S	S	*	.	S	Bend	trans	-60.7	-22.4	175.1	-26.4	36.7	0	0	0	114.2	S349 D350	P290-S349 WeakPolarHBondContact CD-O 3.3Å; P290-D350 HydrophobicContact CG-CB 4.38Å
291	T	96.9	Very high	98.1	Very high	117 Å²	117	59.2 Å²	59.2	72%	0.718	31%	0.31	S	S	*	.	S	Bend	trans	-115.8	-20.3	-171.8	54.3	0	0	0	0	114.1	T289	T289-T291 PolarHBondContact O-N 2.69Å; T289-T291 PolarHBondContact OG1-N 3.43Å; T289-T291 PolarHBondContact OG1-OG1 2.84Å
292	N	97.7	Very high	98.1	Very high	49 Å²	49	56.8 Å²	56.8	26%	0.262	29%	0.294	S	S	.	.			trans	-143.4	151.4	-174	-64.4	-89.3	0	0	0	111.8	T289 Y294 K301	T289-N292 PolarHBondContact N-O 3.16Å; T289-N292 PolarHBondContact OG1-N 2.96Å; T289-N292 PolarHBondContact OG1-O 3.34Å; N292-Y294 HydrophobicContact CB-CE1 4.22Å; N292-Y294 HydrophobicContact CB-CE2 3.83Å; N292-Y294 WeakPolarHBondContact CB-OH 3.4Å; N292-K301 WeakPolarHBondContact OD1-CE 3.45Å; N292-K301 PolarHBondContact OD1-NZ 3.13Å
293	N	98.5	Very high	98.2	Very high	85 Å²	85	50.5 Å²	50.5	46%	0.455	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136	165.2	-69.7	-23.4	0	0	0	107.8	V285 Q288	V285-N293 HydrophobicContact CG1-CB 3.87Å; V285-N293 HydrophobicContact CG2-CB 3.93Å; Q288-N293 WeakPolarHBondContact CG-OD1 3.34Å
294	Y	98.8	Very high	98.3	Very high	6 Å²	6	47.8 Å²	47.8	2%	0.024	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.1	178	-49.4	-89	0	0	0	109.9	L286 V287 T289 N292 D298 K301 F302 D305 F352	L286-Y294 PolarHBondContact N-O 2.64Å; V287-Y294 HydrophobicContact CB-CD2 3.83Å; V287-Y294 HydrophobicContact CB-CG 4.45Å; V287-Y294 HydrophobicContact CG1-CD2 3.85Å; V287-Y294 HydrophobicContact CG1-CE2 4.35Å; V287-Y294 PolarHBondContact N-O 3.08Å; V287-Y294 WeakPolarHBondContact O-CD2 3.37Å; V287-Y294 PolarHBondContact O-N 3.08Å; T289-Y294 HydrophobicContact CG2-CE2 3.89Å; N292-Y294 HydrophobicContact CB-CE1 4.22Å; N292-Y294 HydrophobicContact CB-CE2 3.83Å; N292-Y294 WeakPolarHBondContact CB-OH 3.4Å; Y294-D298 HydrophobicContact CD1-CB 4.21Å; Y294-K301 HydrophobicContact CE1-CD 4.23Å; Y294-K301 HydrophobicContact CE1-CG 4.4Å; Y294-F302 HydrophobicContact CD1-CB 3.59Å; Y294-F302 HydrophobicContact CD1-CD2 4.16Å; Y294-F302 HydrophobicContact CD1-CG 4.36Å; Y294-F302 HydrophobicContact CD2-CD2 4.15Å; Y294-F302 HydrophobicContact CE1-CB 4.05Å; Y294-F302 HydrophobicContact CE1-CD2 4.46Å; Y294-F302 HydrophobicContact CE2-CD2 4.45Å; Y294-F302 HydrophobicContact CG-CB 4.11Å; Y294-F302 AromaticContact CG-CD2 3.99Å; Y294-F302 HydrophobicContact CG-CD2 3.99Å; Y294-F302 HydrophobicContact CG-CG 4.48Å; Y294-D305 HydrophobicContact CE1-CB 4.49Å; Y294-D305 WeakPolarHBondContact CE1-OD2 3.43Å; Y294-D305 VanDerWaalsContact CZ-OD2 3.25Å; Y294-D305 WeakPolarHBondContact OH-CB 3.5Å; Y294-D305 PolarHBondContact OH-OD2 3.19Å; Y294-F352 HydrophobicContact CE2-CZ 4.19Å
295	T	98.7	Very high	98.3	Very high	17 Å²	17	48.9 Å²	48.9	10%	0.104	27%	0.265	C	S	.	.			trans	-107.7	-177.5	173.9	72.4	0	0	0	0	109.9	K282 Q284 Q297 D298	K282-T295 PolarHBondContact O-OG1 2.86Å; Q284-T295 WeakPolarHBondContact O-CB 3.29Å; Q284-T295 WeakPolarHBondContact O-CG2 3.41Å; T295-Q297 PolarHBondContact O-N 3.3Å; T295-Q297 VanDerWaalsContact O-N 3.08Å; T295-Q297 PolarHBondContact OG1-N 3.24Å; T295-Q297 VanDerWaalsContact OG1-N 3.1Å; T295-D298 WeakPolarHBondContact CB-OD2 3.29Å; T295-D298 PolarHBondContact N-OD2 3.21Å; T295-D298 PolarHBondContact O-N 2.92Å; T295-D298 VanDerWaalsContact O-N 3.1Å; T295-D298 PolarHBondContact OG1-OD2 3.32Å
296	V	97.9	Very high	98.3	Very high	11 Å²	11	46.9 Å²	46.9	7%	0.067	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-11.9	170.4	-65.5	0	0	0	0	114.5	P275 A277 W280 L286	P275-V296 HydrophobicContact CB-CG1 3.93Å; A277-V296 HydrophobicContact CB-CB 4.48Å; A277-V296 HydrophobicContact CB-CG2 4.1Å; W280-V296 HydrophobicContact CB-CG1 3.64Å; W280-V296 HydrophobicContact CG-CG1 4.36Å; L286-V296 HydrophobicContact CD1-CG1 3.52Å
297	Q	97.9	Very high	98.3	Very high	126 Å²	126	49.9 Å²	49.9	59%	0.589	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-12.7	177.2	-58.1	-174.1	45.4	0	0	113.1	K282 T295	K282-Q297 PolarHBondContact O-NE2 3.19Å; K282-Q297 VanDerWaalsContact O-NE2 3.12Å; T295-Q297 PolarHBondContact O-N 3.3Å; T295-Q297 VanDerWaalsContact O-N 3.08Å; T295-Q297 PolarHBondContact OG1-N 3.24Å; T295-Q297 VanDerWaalsContact OG1-N 3.1Å
298	D	98.4	Very high	98.2	Very high	53 Å²	53	50.7 Å²	50.7	28%	0.283	29%	0.288	S	S	.	.			trans	-104.4	14.7	-166.5	-56.9	-61.1	0	0	0	113.1	Y294 T295 E300 K301 F302	Y294-D298 HydrophobicContact CD1-CB 4.21Å; T295-D298 WeakPolarHBondContact CB-OD2 3.29Å; T295-D298 PolarHBondContact N-OD2 3.21Å; T295-D298 PolarHBondContact O-N 2.92Å; T295-D298 VanDerWaalsContact O-N 3.1Å; T295-D298 PolarHBondContact OG1-OD2 3.32Å; D298-E300 VanDerWaalsContact C-N 3.33Å; D298-E300 PolarHBondContact O-N 3.2Å; D298-K301 PolarHBondContact O-N 2.98Å; D298-K301 VanDerWaalsContact O-N 3.15Å; D298-F302 WeakPolarHBondContact O-CB 3.22Å; D298-F302 PolarHBondContact O-N 2.96Å
299	Y	98.5	Very high	98.1	Very high	8 Å²	8	50.9 Å²	50.9	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-59.4	-37.6	-172.6	-69.3	-28.6	0	0	0	114.2	L241 L274 P275 F302 Y303	L241-Y299 HydrophobicContact CD2-CD1 4.45Å; L241-Y299 HydrophobicContact CD2-CE1 3.92Å; L274-Y299 HydrophobicContact CB-CE2 4.16Å; L274-Y299 HydrophobicContact CD1-CD1 4.37Å; L274-Y299 HydrophobicContact CD1-CD2 4.24Å; L274-Y299 HydrophobicContact CD1-CE1 4.37Å; L274-Y299 HydrophobicContact CD1-CE2 4.22Å; L274-Y299 HydrophobicContact CD1-CG 4.32Å; L274-Y299 HydrophobicContact CD2-CE1 4.42Å; P275-Y299 VanDerWaalsContact CB-OH 3.29Å; P275-Y299 WeakPolarHBondContact CB-OH 3.37Å; P275-Y299 VanDerWaalsContact CD-OH 3.29Å; P275-Y299 WeakPolarHBondContact CD-OH 3.01Å; P275-Y299 WeakPolarHBondContact O-CE2 3.43Å; P275-Y299 PolarHBondContact O-OH 3.33Å; Y299-F302 PolarHBondContact O-N 3.5Å; Y299-Y303 WeakPolarHBondContact O-CB 3.29Å; Y299-Y303 WeakPolarHBondContact O-CD2 3.49Å; Y299-Y303 PolarHBondContact O-N 3.06Å
300	E	98.5	Very high	98.1	Very high	118 Å²	118	55 Å²	55	55%	0.551	32%	0.318	S	S	*	.	H	α-helix	trans	-59.5	-49.3	175.6	-178.8	162.6	-127.9	0	0	111.6	D298 S304 W312	D298-E300 VanDerWaalsContact C-N 3.33Å; D298-E300 PolarHBondContact O-N 3.2Å; E300-S304 PolarHBondContact O-N 3.26Å; E300-S304 VanDerWaalsContact O-N 3.09Å; E300-W312 HydrophobicContact CB-CD2 3.93Å; E300-W312 HydrophobicContact CB-CG 4.16Å; E300-W312 HydrophobicContact CB-CZ2 4.06Å; E300-W312 VanDerWaalsContact CD-NE1 3.26Å; E300-W312 HydrophobicContact CG-CD2 4.45Å; E300-W312 HydrophobicContact CG-CG 4.25Å; E300-W312 PolarHBondContact OE1-NE1 3.07Å
301	K	98.5	Very high	98.1	Very high	87 Å²	87	50.6 Å²	50.6	38%	0.378	29%	0.289	S	S	.	.	H	α-helix	trans	-63.9	-44.9	176.9	-169.1	-163.9	-175.3	-45.4	0	111.1	N292 Y294 D298 Y303 S304 D305	N292-K301 WeakPolarHBondContact OD1-CE 3.45Å; N292-K301 PolarHBondContact OD1-NZ 3.13Å; Y294-K301 HydrophobicContact CE1-CD 4.23Å; Y294-K301 HydrophobicContact CE1-CG 4.4Å; D298-K301 PolarHBondContact O-N 2.98Å; D298-K301 VanDerWaalsContact O-N 3.15Å; K301-Y303 PolarHBondContact O-N 3.2Å; K301-S304 WeakPolarHBondContact O-CB 3.15Å; K301-S304 PolarHBondContact O-N 3.19Å; K301-D305 IonicContact NZ-OD1 2.67Å; K301-D305 PolarHBondContact NZ-OD1 3.4Å; K301-D305 IonicContact NZ-OD2 3.35Å; K301-D305 PolarHBondContact NZ-OD2 3.03Å; K301-D305 WeakPolarHBondContact O-CB 3.36Å; K301-D305 PolarHBondContact O-N 2.87Å
302	F	98.6	Very high	98.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-56.7	-50.1	178.2	169.3	-107.1	0	0	0	111.9	L241 V244 T245 V287 Y294 D298 Y299 S304 D305 I306 F352	L241-F302 HydrophobicContact CD2-CD1 4.18Å; L241-F302 HydrophobicContact CD2-CE1 3.6Å; L241-F302 HydrophobicContact CD2-CE2 4.45Å; L241-F302 HydrophobicContact CD2-CZ 3.74Å; V244-F302 HydrophobicContact CG2-CE1 3.65Å; V244-F302 HydrophobicContact CG2-CZ 3.83Å; T245-F302 WeakPolarHBondContact OG1-CE2 3.49Å; T245-F302 WeakPolarHBondContact OG1-CZ 3.28Å; V287-F302 HydrophobicContact CB-CE2 4.42Å; V287-F302 HydrophobicContact CG1-CE2 4.32Å; V287-F302 HydrophobicContact CG2-CE2 4.04Å; Y294-F302 HydrophobicContact CD1-CB 3.59Å; Y294-F302 HydrophobicContact CD1-CD2 4.16Å; Y294-F302 HydrophobicContact CD1-CG 4.36Å; Y294-F302 HydrophobicContact CD2-CD2 4.15Å; Y294-F302 HydrophobicContact CE1-CB 4.05Å; Y294-F302 HydrophobicContact CE1-CD2 4.46Å; Y294-F302 HydrophobicContact CE2-CD2 4.45Å; Y294-F302 HydrophobicContact CG-CB 4.11Å; Y294-F302 AromaticContact CG-CD2 3.99Å; Y294-F302 HydrophobicContact CG-CD2 3.99Å; Y294-F302 HydrophobicContact CG-CG 4.48Å; D298-F302 WeakPolarHBondContact O-CB 3.22Å; D298-F302 PolarHBondContact O-N 2.96Å; Y299-F302 PolarHBondContact O-N 3.5Å; F302-S304 VanDerWaalsContact C-N 3.31Å; F302-S304 PolarHBondContact O-N 3.36Å; F302-D305 PolarHBondContact O-N 3.25Å; F302-I306 HydrophobicContact CD2-CG2 4.26Å; F302-I306 HydrophobicContact CE1-CD1 4.02Å; F302-I306 HydrophobicContact CE2-CG2 3.92Å; F302-I306 HydrophobicContact CZ-CD1 4.12Å; F302-I306 HydrophobicContact CZ-CG2 4.3Å; F302-I306 WeakPolarHBondContact O-CG1 3.42Å; F302-I306 PolarHBondContact O-N 3.39Å; F302-I306 VanDerWaalsContact O-N 3.07Å; F302-F352 HydrophobicContact CE2-CZ 4.35Å
303	Y	98.6	Very high	98.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64	-36.1	178.4	-85.7	-65.6	0	0	0	112.7	V244 T271 L274 Y299 K301 I306 G307 F308 W312	V244-Y303 HydrophobicContact CG2-CE1 4.37Å; T271-Y303 VanDerWaalsContact CG2-OH 3.3Å; T271-Y303 WeakPolarHBondContact CG2-OH 3.43Å; T271-Y303 PolarHBondContact OG1-OH 3.36Å; L274-Y303 HydrophobicContact CD1-CE2 3.72Å; L274-Y303 WeakPolarHBondContact CD1-OH 3.46Å; Y299-Y303 WeakPolarHBondContact O-CB 3.29Å; Y299-Y303 WeakPolarHBondContact O-CD2 3.49Å; Y299-Y303 PolarHBondContact O-N 3.06Å; K301-Y303 PolarHBondContact O-N 3.2Å; Y303-I306 HydrophobicContact CD1-CD1 3.93Å; Y303-I306 HydrophobicContact CE1-CD1 4.35Å; Y303-I306 WeakPolarHBondContact O-CG1 3.49Å; Y303-G307 PolarHBondContact O-N 3.31Å; Y303-F308 HydrophobicContact CD1-CB 4.5Å; Y303-F308 AromaticContact CD1-CD1 3.81Å; Y303-F308 HydrophobicContact CD1-CD1 3.81Å; Y303-F308 HydrophobicContact CD1-CE1 4.49Å; Y303-F308 VanDerWaalsContact CD1-O 3.25Å; Y303-F308 WeakPolarHBondContact CD1-O 3.04Å; Y303-F308 AromaticContact CE1-CD1 3.74Å; Y303-F308 HydrophobicContact CE1-CD1 3.74Å; Y303-F308 HydrophobicContact CE1-CE1 4.07Å; Y303-F308 CarbonylContact O-C 3.6Å; Y303-F308 PolarHBondContact O-N 3.07Å; Y303-W312 HydrophobicContact CD2-CB 3.93Å; Y303-W312 HydrophobicContact CG-CB 4.18Å
304	S	98.3	Very high	98.2	Very high	78 Å²	78	43.3 Å²	43.3	55%	0.545	24%	0.242	S	C	.	.	H	α-helix	trans	-61.6	-49.3	171.4	-177.6	0	0	0	0	111.8	E300 K301 F302 I306 G307	E300-S304 PolarHBondContact O-N 3.26Å; E300-S304 VanDerWaalsContact O-N 3.09Å; K301-S304 WeakPolarHBondContact O-CB 3.15Å; K301-S304 PolarHBondContact O-N 3.19Å; F302-S304 VanDerWaalsContact C-N 3.31Å; F302-S304 PolarHBondContact O-N 3.36Å; S304-I306 VanDerWaalsContact C-N 3.33Å; S304-I306 PolarHBondContact O-N 3.25Å; S304-G307 PolarHBondContact O-N 3Å; S304-G307 VanDerWaalsContact O-N 3.09Å
305	D	98.3	Very high	98.2	Very high	60 Å²	60	43 Å²	43	32%	0.321	24%	0.241	S	C	.	.	H	α-helix	trans	-67.8	-28.6	-175.3	-68.5	-14.3	0	0	0	113.4	Y294 K301 F302 G307 F352	Y294-D305 HydrophobicContact CE1-CB 4.49Å; Y294-D305 WeakPolarHBondContact CE1-OD2 3.43Å; Y294-D305 VanDerWaalsContact CZ-OD2 3.25Å; Y294-D305 WeakPolarHBondContact OH-CB 3.5Å; Y294-D305 PolarHBondContact OH-OD2 3.19Å; K301-D305 IonicContact NZ-OD1 2.67Å; K301-D305 PolarHBondContact NZ-OD1 3.4Å; K301-D305 IonicContact NZ-OD2 3.35Å; K301-D305 PolarHBondContact NZ-OD2 3.03Å; K301-D305 WeakPolarHBondContact O-CB 3.36Å; K301-D305 PolarHBondContact O-N 2.87Å; F302-D305 PolarHBondContact O-N 3.25Å; D305-G307 VanDerWaalsContact C-N 3.28Å; D305-F352 HydrophobicContact CB-CE1 4.31Å
306	I	98	Very high	98.1	Very high	7 Å²	7	46.8 Å²	46.8	4%	0.036	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	3.7	174.5	70.2	176.8	0	0	0	113.8	V244 T245 R265 F302 Y303 S304 F308 F352 P353	V244-I306 HydrophobicContact CB-CD1 4.36Å; V244-I306 HydrophobicContact CG2-CD1 4.1Å; T245-I306 HydrophobicContact CG2-CG2 4.34Å; R265-I306 PolarHBondContact NH1-O 3.22Å; R265-I306 PolarHBondContact NH2-O 2.74Å; R265-I306 VanDerWaalsContact NH2-O 3.14Å; F302-I306 HydrophobicContact CD2-CG2 4.26Å; F302-I306 HydrophobicContact CE1-CD1 4.02Å; F302-I306 HydrophobicContact CE2-CG2 3.92Å; F302-I306 HydrophobicContact CZ-CD1 4.12Å; F302-I306 HydrophobicContact CZ-CG2 4.3Å; F302-I306 WeakPolarHBondContact O-CG1 3.42Å; F302-I306 PolarHBondContact O-N 3.39Å; F302-I306 VanDerWaalsContact O-N 3.07Å; Y303-I306 HydrophobicContact CD1-CD1 3.93Å; Y303-I306 HydrophobicContact CE1-CD1 4.35Å; Y303-I306 WeakPolarHBondContact O-CG1 3.49Å; S304-I306 VanDerWaalsContact C-N 3.33Å; S304-I306 PolarHBondContact O-N 3.25Å; I306-F308 HydrophobicContact CD1-CB 4.3Å; I306-F308 HydrophobicContact CG1-CB 4.08Å; I306-F352 HydrophobicContact CG2-CE1 3.86Å; I306-F352 HydrophobicContact CG2-CE2 4.13Å; I306-F352 HydrophobicContact CG2-CZ 3.35Å; I306-P353 HydrophobicContact CB-CB 4.21Å; I306-P353 HydrophobicContact CB-CG 4.4Å; I306-P353 HydrophobicContact CG2-CB 4Å
307	G	97.9	Very high	98.2	Very high	65 Å²	65	48.1 Å²	48.1	67%	0.67	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	37.8	-179.4	0	0	0	0	0	113.8	Y303 S304 D305	Y303-G307 PolarHBondContact O-N 3.31Å; S304-G307 PolarHBondContact O-N 3Å; S304-G307 VanDerWaalsContact O-N 3.09Å; D305-G307 VanDerWaalsContact C-N 3.28Å
308	F	97.8	Very high	98.2	Very high	18 Å²	18	42.2 Å²	42.2	8%	0.079	24%	0.235	C	C	.	.			trans	-141.1	61.1	-179.8	-177.4	-131.3	0	0	0	111.7	R265 Y303 I306 E310 G311 M314	R265-F308 HydrophobicContact CB-CD1 4.05Å; R265-F308 HydrophobicContact CB-CE1 3.7Å; R265-F308 HydrophobicContact CB-CE2 4.29Å; R265-F308 HydrophobicContact CB-CZ 3.86Å; R265-F308 HydrophobicContact CG-CD1 3.83Å; R265-F308 HydrophobicContact CG-CE1 3.94Å; R265-F308 HydrophobicContact CG-CG 4.33Å; R265-F308 WeakPolarHBondContact O-CE1 3.24Å; R265-F308 WeakPolarHBondContact O-CZ 3.48Å; Y303-F308 HydrophobicContact CD1-CB 4.5Å; Y303-F308 AromaticContact CD1-CD1 3.81Å; Y303-F308 HydrophobicContact CD1-CD1 3.81Å; Y303-F308 HydrophobicContact CD1-CE1 4.49Å; Y303-F308 VanDerWaalsContact CD1-O 3.25Å; Y303-F308 WeakPolarHBondContact CD1-O 3.04Å; Y303-F308 AromaticContact CE1-CD1 3.74Å; Y303-F308 HydrophobicContact CE1-CD1 3.74Å; Y303-F308 HydrophobicContact CE1-CE1 4.07Å; Y303-F308 CarbonylContact O-C 3.6Å; Y303-F308 PolarHBondContact O-N 3.07Å; I306-F308 HydrophobicContact CD1-CB 4.3Å; I306-F308 HydrophobicContact CG1-CB 4.08Å; F308-E310 HydrophobicContact CE2-CB 4.04Å; F308-E310 PolarHBondContact O-N 2.86Å; F308-G311 VanDerWaalsContact CE1-CA 3.45Å; F308-G311 PolarHBondContact O-N 3.49Å; F308-G311 VanDerWaalsContact O-N 3.07Å; F308-M314 HydrophobicContact CZ-CE 4.13Å; F308-M314 HydrophobicContact CZ-SD 4.07Å
309	A	97.1	Very high	98.1	Very high	63 Å²	63	42.1 Å²	42.1	52%	0.521	23%	0.233	S	C	.	.	H	α-helix	trans	-62.4	-26.8	-176.5	0	0	0	0	0	113.8	G311 W312	A309-G311 PolarHBondContact O-N 3.16Å; A309-W312 WeakPolarHBondContact O-CB 3.31Å; A309-W312 PolarHBondContact O-N 3.32Å; A309-W312 VanDerWaalsContact O-N 3.09Å
310	E	97.1	Very high	98.1	Very high	95 Å²	95	45.8 Å²	45.8	44%	0.444	26%	0.257	S	S	.	.	H	α-helix	trans	-62.5	-29.2	175	-61.4	113.5	151	0	0	112.3	Y102 F308 W312 L313 M314	Y102-E310 HydrophobicContact CD1-CB 4.15Å; Y102-E310 HydrophobicContact CD1-CG 4.46Å; F308-E310 HydrophobicContact CE2-CB 4.04Å; F308-E310 PolarHBondContact O-N 2.86Å; E310-W312 PolarHBondContact O-N 3.32Å; E310-L313 WeakPolarHBondContact O-CB 3.46Å; E310-L313 PolarHBondContact O-N 3.3Å; E310-M314 WeakPolarHBondContact O-CG 3.34Å; E310-M314 PolarHBondContact O-N 2.9Å
311	G	98.1	Very high	98	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.5	-34.3	174	0	0	0	0	0	112.6	T271 F308 A309 M314 R315	T271-G311 VanDerWaalsContact CG2-O 3.25Å; T271-G311 WeakPolarHBondContact CG2-O 2.99Å; F308-G311 VanDerWaalsContact CE1-CA 3.45Å; F308-G311 PolarHBondContact O-N 3.49Å; F308-G311 VanDerWaalsContact O-N 3.07Å; A309-G311 PolarHBondContact O-N 3.16Å; G311-M314 PolarHBondContact O-N 3.3Å; G311-R315 PolarHBondContact O-N 3.12Å
312	W	98.3	Very high	97.9	Very high	51 Å²	51	38 Å²	38	19%	0.193	22%	0.224	C	C	.	.	H	α-helix	trans	-67.5	-37.1	173.8	173.9	-130.6	0	0	0	112.6	E300 Y303 A309 E310 R315 K316	E300-W312 HydrophobicContact CB-CD2 3.93Å; E300-W312 HydrophobicContact CB-CG 4.16Å; E300-W312 HydrophobicContact CB-CZ2 4.06Å; E300-W312 VanDerWaalsContact CD-NE1 3.26Å; E300-W312 HydrophobicContact CG-CD2 4.45Å; E300-W312 HydrophobicContact CG-CG 4.25Å; E300-W312 PolarHBondContact OE1-NE1 3.07Å; Y303-W312 HydrophobicContact CD2-CB 3.93Å; Y303-W312 HydrophobicContact CG-CB 4.18Å; A309-W312 WeakPolarHBondContact O-CB 3.31Å; A309-W312 PolarHBondContact O-N 3.32Å; A309-W312 VanDerWaalsContact O-N 3.09Å; E310-W312 PolarHBondContact O-N 3.32Å; W312-R315 HydrophobicContact CE3-CB 3.99Å; W312-R315 HydrophobicContact CE3-CG 4.15Å; W312-R315 HydrophobicContact CZ3-CB 4.29Å; W312-R315 HydrophobicContact CZ3-CG 3.95Å; W312-R315 PolarHBondContact O-N 3.32Å; W312-K316 HydrophobicContact CD2-CD 4.37Å; W312-K316 HydrophobicContact CD2-CG 4.17Å; W312-K316 HydrophobicContact CE3-CG 4.4Å; W312-K316 HydrophobicContact CH2-CD 4.49Å; W312-K316 HydrophobicContact CH2-CG 4.03Å; W312-K316 HydrophobicContact CZ2-CD 3.76Å; W312-K316 HydrophobicContact CZ2-CG 3.79Å; W312-K316 HydrophobicContact CZ3-CG 4.33Å; W312-K316 WeakPolarHBondContact O-CG 3.44Å; W312-K316 PolarHBondContact O-N 2.85Å
313	L	98.3	Very high	97.8	Very high	41 Å²	41	39.4 Å²	39.4	22%	0.215	23%	0.233	C	C	.	.	H	α-helix	trans	-65.3	-46.4	175.5	-56.5	-177.9	0	0	0	110.8	Y102 N104 E310 R315 K316 D317	Y102-L313 HydrophobicContact CE1-CB 3.79Å; Y102-L313 HydrophobicContact CE1-CD1 4.11Å; Y102-L313 WeakPolarHBondContact OH-CB 3.46Å; N104-L313 HydrophobicContact CB-CD1 3.88Å; E310-L313 WeakPolarHBondContact O-CB 3.46Å; E310-L313 PolarHBondContact O-N 3.3Å; L313-R315 PolarHBondContact O-N 2.98Å; L313-K316 PolarHBondContact O-N 3.09Å; L313-K316 VanDerWaalsContact O-N 3.16Å; L313-D317 VanDerWaalsContact O-CG 3.25Å; L313-D317 PolarHBondContact O-N 2.97Å
314	M	98.5	Very high	97.6	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-55.6	-39.6	173	-65.6	171.4	178.9	0	0	112	Y102 V268 T271 F308 E310 G311 D317 T318	Y102-M314 HydrophobicContact CD1-CE 4.44Å; Y102-M314 HydrophobicContact CD2-CE 4.04Å; Y102-M314 HydrophobicContact CD2-CG 3.77Å; Y102-M314 HydrophobicContact CE2-CG 3.89Å; Y102-M314 HydrophobicContact CG-CE 3.71Å; Y102-M314 HydrophobicContact CG-CG 4.1Å; V268-M314 HydrophobicContact CG2-CE 4.39Å; V268-M314 HydrophobicContact CG2-CG 4.35Å; V268-M314 HydrophobicContact CG2-SD 4.26Å; T271-M314 HydrophobicContact CG2-CB 3.96Å; F308-M314 HydrophobicContact CZ-CE 4.13Å; F308-M314 HydrophobicContact CZ-SD 4.07Å; E310-M314 WeakPolarHBondContact O-CG 3.34Å; E310-M314 PolarHBondContact O-N 2.9Å; G311-M314 PolarHBondContact O-N 3.3Å; M314-D317 PolarHBondContact O-N 3.31Å; M314-T318 WeakPolarHBondContact O-CB 3.3Å; M314-T318 WeakPolarHBondContact O-CG2 3.33Å; M314-T318 PolarHBondContact O-N 3.33Å; M314-T318 PolarHBondContact O-OG1 3.19Å
315	R	98.2	Very high	97.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.4	-48.4	177.4	179.8	57.6	-176.7	-178.1	4.3	111	T271 W272 L274 G311 W312 L313 D317 T318 E319	T271-R315 HydrophobicContact CG2-CB 3.45Å; T271-R315 VanDerWaalsContact CG2-CB 3.45Å; T271-R315 HydrophobicContact CG2-CG 4.39Å; T271-R315 VanDerWaalsContact CG2-N 3.25Å; T271-R315 WeakPolarHBondContact O-CD 3.46Å; T271-R315 PolarHBondContact O-NH1 3.41Å; W272-R315 PolarHBondContact O-NH1 2.79Å; L274-R315 PolarHBondContact O-NH1 3.03Å; G311-R315 PolarHBondContact O-N 3.12Å; W312-R315 HydrophobicContact CE3-CB 3.99Å; W312-R315 HydrophobicContact CE3-CG 4.15Å; W312-R315 HydrophobicContact CZ3-CB 4.29Å; W312-R315 HydrophobicContact CZ3-CG 3.95Å; W312-R315 PolarHBondContact O-N 3.32Å; L313-R315 PolarHBondContact O-N 2.98Å; R315-D317 VanDerWaalsContact C-N 3.26Å; R315-D317 PolarHBondContact O-N 3.26Å; R315-T318 PolarHBondContact O-N 3.2Å; R315-T318 VanDerWaalsContact O-N 3.16Å; R315-T318 PolarHBondContact O-OG1 2.61Å; R315-E319 IonicContact CZ-OE1 2.8Å; R315-E319 IonicContact NE-OE1 2.93Å; R315-E319 IonicContact NE-OE2 2.76Å; R315-E319 VanDerWaalsContact NH2-CD 3.27Å; R315-E319 IonicContact NH2-OE1 2.74Å; R315-E319 PolarHBondContact NH2-OE1 2.96Å; R315-E319 VanDerWaalsContact O-CB 3.27Å; R315-E319 WeakPolarHBondContact O-CB 3.44Å; R315-E319 PolarHBondContact O-N 3.07Å
316	K	98.1	Very high	97.5	Very high	96 Å²	96	42.9 Å²	42.9	42%	0.417	25%	0.249	S	C	.	.	H	α-helix	trans	-60.1	-37.3	178.6	-72.1	-173.7	-64.1	-176.6	0	112.4	W312 L313 T318 P320	W312-K316 HydrophobicContact CD2-CD 4.37Å; W312-K316 HydrophobicContact CD2-CG 4.17Å; W312-K316 HydrophobicContact CE3-CG 4.4Å; W312-K316 HydrophobicContact CH2-CD 4.49Å; W312-K316 HydrophobicContact CH2-CG 4.03Å; W312-K316 HydrophobicContact CZ2-CD 3.76Å; W312-K316 HydrophobicContact CZ2-CG 3.79Å; W312-K316 HydrophobicContact CZ3-CG 4.33Å; W312-K316 WeakPolarHBondContact O-CG 3.44Å; W312-K316 PolarHBondContact O-N 2.85Å; L313-K316 PolarHBondContact O-N 3.09Å; L313-K316 VanDerWaalsContact O-N 3.16Å; K316-T318 VanDerWaalsContact C-N 3.31Å; K316-T318 PolarHBondContact O-N 2.94Å; K316-P320 VanDerWaalsContact O-CD 3.28Å; K316-P320 WeakPolarHBondContact O-CD 3.35Å
317	D	98.3	Very high	97.5	Very high	40 Å²	40	43.3 Å²	43.3	21%	0.214	25%	0.254	C	S	.	.	H	α-helix	trans	-71.3	-26.5	179.6	-64.1	-16.2	0	0	0	112.9	Y102 H107 L313 M314 R315	Y102-D317 PolarHBondContact OH-OD2 3.32Å; H107-D317 WeakPolarHBondContact CB-OD2 3.49Å; H107-D317 IonicContact CE1-OD1 3.78Å; H107-D317 IonicContact CG-OD1 3.79Å; H107-D317 IonicContact CG-OD2 3.72Å; H107-D317 IonicContact ND1-OD1 2.9Å; H107-D317 PolarHBondContact ND1-OD1 3.09Å; H107-D317 IonicContact ND1-OD2 3.17Å; H107-D317 PolarHBondContact ND1-OD2 3.22Å; H107-D317 VanDerWaalsContact ND1-OD2 3.17Å; L313-D317 VanDerWaalsContact O-CG 3.25Å; L313-D317 PolarHBondContact O-N 2.97Å; M314-D317 PolarHBondContact O-N 3.31Å; R315-D317 VanDerWaalsContact C-N 3.26Å; R315-D317 PolarHBondContact O-N 3.26Å
318	T	98.2	Very high	97.6	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-113.8	-27.2	-168.1	57.5	0	0	0	0	115.2	A170 V268 W272 M314 R315 K316 L321	A170-T318 HydrophobicContact CB-CG2 3.45Å; A170-T318 VanDerWaalsContact CB-CG2 3.45Å; V268-T318 HydrophobicContact CG1-CG2 3.56Å; W272-T318 HydrophobicContact CB-CG2 4.47Å; W272-T318 PolarHBondContact NE1-O 3.44Å; M314-T318 WeakPolarHBondContact O-CB 3.3Å; M314-T318 WeakPolarHBondContact O-CG2 3.33Å; M314-T318 PolarHBondContact O-N 3.33Å; M314-T318 PolarHBondContact O-OG1 3.19Å; R315-T318 PolarHBondContact O-N 3.2Å; R315-T318 VanDerWaalsContact O-N 3.16Å; R315-T318 PolarHBondContact O-OG1 2.61Å; K316-T318 VanDerWaalsContact C-N 3.31Å; K316-T318 PolarHBondContact O-N 2.94Å; T318-L321 HydrophobicContact CG2-CD1 4.31Å; T318-L321 WeakPolarHBondContact O-CB 3.17Å; T318-L321 VanDerWaalsContact O-CG 3.27Å; T318-L321 WeakPolarHBondContact O-CG 3.25Å; T318-L321 PolarHBondContact O-N 3.06Å
319	E	97.6	Very high	97.6	Very high	51 Å²	51	39.6 Å²	39.6	24%	0.238	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-53	-48	177.1	175.2	165.2	-133.5	0	0	112.6	Y276 R315 L321 S323	Y276-E319 HydrophobicContact CD1-CG 4.09Å; Y276-E319 HydrophobicContact CE1-CB 4.41Å; Y276-E319 HydrophobicContact CE1-CG 3.79Å; R315-E319 IonicContact CZ-OE1 2.8Å; R315-E319 IonicContact NE-OE1 2.93Å; R315-E319 IonicContact NE-OE2 2.76Å; R315-E319 VanDerWaalsContact NH2-CD 3.27Å; R315-E319 IonicContact NH2-OE1 2.74Å; R315-E319 PolarHBondContact NH2-OE1 2.96Å; R315-E319 VanDerWaalsContact O-CB 3.27Å; R315-E319 WeakPolarHBondContact O-CB 3.44Å; R315-E319 PolarHBondContact O-N 3.07Å; E319-L321 PolarHBondContact O-N 3.01Å; E319-S323 VanDerWaalsContact O-CB 3.29Å; E319-S323 WeakPolarHBondContact O-CB 3.41Å; E319-S323 PolarHBondContact O-N 2.91Å
320	P	97.8	Very high	97.7	Very high	85 Å²	85	36.8 Å²	36.8	55%	0.552	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-65.7	-14.1	-176.7	-22.2	35.5	0	0	0	114.8	K316 V322	K316-P320 VanDerWaalsContact O-CD 3.28Å; K316-P320 WeakPolarHBondContact O-CD 3.35Å; P320-V322 PolarHBondContact O-N 3.33Å
321	L	97.5	Very high	97.8	Very high	36 Å²	36	33.1 Å²	33.1	19%	0.188	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-61.8	-33.8	-174.7	-60.5	177.1	0	0	0	112.3	A170 N172 Y210 T318 E319	A170-L321 HydrophobicContact CB-CD1 4.09Å; N172-L321 HydrophobicContact CB-CD1 4.08Å; N172-L321 HydrophobicContact CB-CD2 3.98Å; Y210-L321 HydrophobicContact CD2-CB 4.05Å; Y210-L321 WeakPolarHBondContact CD2-O 3.47Å; Y210-L321 HydrophobicContact CE2-CB 4.11Å; Y210-L321 HydrophobicContact CE2-CD2 3.8Å; Y210-L321 HydrophobicContact CE2-CG 4.46Å; T318-L321 HydrophobicContact CG2-CD1 4.31Å; T318-L321 WeakPolarHBondContact O-CB 3.17Å; T318-L321 VanDerWaalsContact O-CG 3.27Å; T318-L321 WeakPolarHBondContact O-CG 3.25Å; T318-L321 PolarHBondContact O-N 3.06Å; E319-L321 PolarHBondContact O-N 3.01Å
322	V	96.3	Very high	97.8	Very high	7 Å²	7	33.1 Å²	33.1	4%	0.042	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.1	9.5	-179.1	-64.9	0	0	0	0	113.4	L206 L209 W272 P320 D324 L325	L206-V322 HydrophobicContact CD2-CG2 4.32Å; L209-V322 HydrophobicContact CD2-CG1 4.49Å; W272-V322 HydrophobicContact CZ2-CG1 4.26Å; W272-V322 HydrophobicContact CZ2-CG2 3.92Å; P320-V322 PolarHBondContact O-N 3.33Å; V322-D324 PolarHBondContact O-N 2.84Å; V322-D324 VanDerWaalsContact O-N 3.16Å; V322-L325 PolarHBondContact O-N 3.24Å
323	S	95.3	Very high	97.8	Very high	28 Å²	28	32 Å²	32	20%	0.196	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.9	-177.3	55.8	0	0	0	0	114.1	H278 E319 L325	H278-S323 PolarHBondContact CD2-O 2.72Å; H278-S323 PolarHBondContact NE2-O 3.21Å; E319-S323 VanDerWaalsContact O-CB 3.29Å; E319-S323 WeakPolarHBondContact O-CB 3.41Å; E319-S323 PolarHBondContact O-N 2.91Å; S323-L325 PolarHBondContact O-N 2.96Å
324	D	95.3	Very high	97.8	Very high	130 Å²	130	30 Å²	30	70%	0.695	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-18	-179.1	-67.1	-9	0	0	0	112.1	V322 T326	V322-D324 PolarHBondContact O-N 2.84Å; V322-D324 VanDerWaalsContact O-N 3.16Å; D324-T326 PolarHBondContact O-N 3.02Å
325	L	96.2	Very high	97.8	Very high	6 Å²	6	29.8 Å²	29.8	3%	0.031	17%	0.168	C	C	.	.			trans	45.5	45	-171.6	-71.3	-179.6	0	0	0	111.9	L209 W234 H278 V322 S323 A327 Q375 W379	L209-L325 HydrophobicContact CD2-CD2 3.81Å; W234-L325 HydrophobicContact CB-CD1 4.2Å; W234-L325 HydrophobicContact CB-CD2 4.11Å; W234-L325 HydrophobicContact CE3-CD2 4.32Å; W234-L325 WeakPolarHBondContact O-CD2 3.33Å; H278-L325 WeakPolarHBondContact CE1-CD1 3.43Å; V322-L325 PolarHBondContact O-N 3.24Å; S323-L325 PolarHBondContact O-N 2.96Å; L325-A327 PolarHBondContact O-N 3.34Å; L325-Q375 HydrophobicContact CD1-CB 3.91Å; L325-Q375 HydrophobicContact CD1-CG 4.35Å; L325-W379 PolarHBondContact O-NE1 2.74Å
326	T	97.9	Very high	97.9	Very high	76 Å²	76	30.9 Å²	30.9	47%	0.466	17%	0.172	S	C	.	.			trans	-58.5	126.4	179.4	-61.9	0	0	0	0	110.5	L209 N213 D324	L209-T326 WeakPolarHBondContact CD1-O 3.34Å; N213-T326 WeakPolarHBondContact ND2-CB 3.33Å; N213-T326 WeakPolarHBondContact ND2-CG2 3.19Å; N213-T326 PolarHBondContact ND2-O 3.05Å; D324-T326 PolarHBondContact O-N 3.02Å
327	A	98.5	Very high	97.9	Very high	16 Å²	16	26.3 Å²	26.3	13%	0.132	15%	0.152	C	C	.	.			trans	-51.6	135.1	-178	0	0	0	0	0	112.2	L325 G329 W379 Q382 Q383	L325-A327 PolarHBondContact O-N 3.34Å; A327-G329 PolarHBondContact O-N 2.87Å; A327-W379 VanDerWaalsContact CA-CD1 3.5Å; A327-W379 HydrophobicContact CB-CB 4.01Å; A327-W379 HydrophobicContact CB-CG 3.84Å; A327-Q382 HydrophobicContact CB-CB 4.18Å; A327-Q383 HydrophobicContact CB-CB 4.12Å; A327-Q383 HydrophobicContact CB-CG 4.16Å
328	P	98.6	Very high	97.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.148	C	C	.	.			trans	-71	-14.7	-171.7	28.4	-36.3	0	0	0	113.3	L209 L212 K220 V330 V332 W379	L209-P328 HydrophobicContact CD1-CB 4.02Å; L209-P328 HydrophobicContact CD1-CG 4.48Å; L212-P328 HydrophobicContact CB-CB 4.23Å; L212-P328 HydrophobicContact CD1-CB 3.86Å; K220-P328 WeakPolarHBondContact CD-O 3.46Å; K220-P328 WeakPolarHBondContact CE-O 3.26Å; K220-P328 PolarHBondContact NZ-O 3.21Å; P328-V330 VanDerWaalsContact C-N 3.32Å; P328-V330 HydrophobicContact CB-CG2 4.15Å; P328-V330 HydrophobicContact CG-CG2 4.3Å; P328-V330 PolarHBondContact O-N 3.21Å; P328-V332 HydrophobicContact CG-CG2 3.51Å; P328-W379 HydrophobicContact CG-CE3 4.19Å; P328-W379 HydrophobicContact CG-CZ3 4.17Å
329	G	98.6	Very high	97.9	Very high	5 Å²	5	28.1 Å²	28.1	5%	0.052	18%	0.175	C	C	.	.	S	Bend	trans	69.7	28.9	178.6	0	0	0	0	0	113.1	Q217 A327 Q385	Q217-G329 PolarHBondContact NE2-O 3.26Å; A327-G329 PolarHBondContact O-N 2.87Å; G329-Q385 VanDerWaalsContact O-CD 3.23Å; G329-Q385 PolarHBondContact O-NE2 3.4Å; G329-Q385 VanDerWaalsContact O-NE2 3.09Å; G329-Q385 PolarHBondContact O-OE1 2.99Å
330	V	98.8	Very high	97.9	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.024	17%	0.174	C	C	.	.	S	Bend	trans	-136.2	163.7	173.6	-61.3	0	0	0	0	108.6	L212 K220 I224 F227 P328 V332 Q383	L212-V330 HydrophobicContact CD1-CG2 4.01Å; K220-V330 HydrophobicContact CB-CG1 3.85Å; K220-V330 HydrophobicContact CD-CG1 4.21Å; K220-V330 HydrophobicContact CG-CG1 4.37Å; I224-V330 HydrophobicContact CB-CG1 3.94Å; I224-V330 HydrophobicContact CG2-CB 4.09Å; I224-V330 HydrophobicContact CG2-CG1 3.79Å; I224-V330 HydrophobicContact CG2-CG2 4.33Å; F227-V330 HydrophobicContact CB-CG2 3.89Å; P328-V330 VanDerWaalsContact C-N 3.32Å; P328-V330 HydrophobicContact CB-CG2 4.15Å; P328-V330 HydrophobicContact CG-CG2 4.3Å; P328-V330 PolarHBondContact O-N 3.21Å; V330-V332 WeakPolarHBondContact O-CG2 3.45Å; V330-V332 PolarHBondContact O-N 2.91Å; V330-Q383 PolarHBondContact O-NE2 3.02Å
331	A	98.6	Very high	97.9	Very high	18 Å²	18	27.8 Å²	27.8	15%	0.149	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	132.5	173.3	0	0	0	0	0	109.6	T226 F227 P386	T226-A331 CarbonylContact C-O 3.57Å; T226-A331 WeakPolarHBondContact CA-O 3.42Å; T226-A331 PolarHBondContact OG1-O 2.92Å; F227-A331 PolarHBondContact N-O 2.97Å; A331-P386 WeakPolarHBondContact CA-O 3.23Å; A331-P386 HydrophobicContact CB-CG 4.09Å
332	V	98.9	Very high	98	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.3	-175.9	175.7	0	0	0	0	110.8	F227 P328 V330 C334 W379 P386 V387 M388	F227-V332 CarbonylContact O-C 3.6Å; F227-V332 WeakPolarHBondContact O-CA 3.26Å; P328-V332 HydrophobicContact CG-CG2 3.51Å; V330-V332 WeakPolarHBondContact O-CG2 3.45Å; V330-V332 PolarHBondContact O-N 2.91Å; V332-C334 HydrophobicContact CG1-CB 4.28Å; V332-W379 HydrophobicContact CG1-CE3 4.23Å; V332-W379 HydrophobicContact CG1-CZ3 4.05Å; V332-W379 HydrophobicContact CG2-CE3 4.17Å; V332-W379 HydrophobicContact CG2-CZ3 4.28Å; V332-P386 PolarHBondContact N-O 2.98Å; V332-V387 HydrophobicContact CB-CG1 4.34Å; V332-V387 HydrophobicContact CB-CG2 4.5Å; V332-V387 HydrophobicContact CG1-CG1 4.48Å; V332-V387 WeakPolarHBondContact O-CA 3.43Å; V332-M388 VanDerWaalsContact O-CE 3.26Å; V332-M388 WeakPolarHBondContact O-CE 3.46Å; V332-M388 PolarHBondContact O-N 2.99Å
333	H	98.8	Very high	98.1	Very high	27 Å²	27	26.3 Å²	26.3	13%	0.125	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	110.9	164.2	-61	-99.4	0	0	0	109	T226 F227 I228 C229 L335 M388 Y409	T226-H333 PolarHBondContact OG1-CD2 2.94Å; T226-H333 VanDerWaalsContact OG1-CD2 3.23Å; F227-H333 PolarHBondContact O-N 2.97Å; I228-H333 CarbonylContact C-O 3.57Å; I228-H333 WeakPolarHBondContact CA-O 3.49Å; I228-H333 HydrophobicContact CG1-CB 4.4Å; C229-H333 PolarHBondContact N-O 2.87Å; H333-L335 HydrophobicContact CB-CD1 4.05Å; H333-M388 CarbonylContact C-O 3.35Å; H333-M388 WeakPolarHBondContact CA-O 3.42Å; H333-M388 PolarHBondContact CE1-SD 2.6Å; H333-Y409 HydrophobicContact CB-CE1 3.85Å; H333-Y409 AromaticContact ND1-CE1 3.73Å; H333-Y409 AromaticContact ND1-CZ 3.67Å; H333-Y409 PolarHBondContact ND1-OH 3.27Å
334	C	98.6	Very high	98.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	101.4	-174.9	-171.1	0	0	0	0	110.2	V332 C376 M388 L389 K390	V332-C334 HydrophobicContact CG1-CB 4.28Å; C334-C376 HydrophobicContact CB-CB 3.65Å; C334-C376 WeakPolarHBondContact CB-SG 3.06Å; C334-C376 WeakPolarHBondContact SG-CB 3.43Å; C334-C376 CovalentContact SG-SG 2.03Å; C334-C376 PolarHBondContact SG-SG 2.84Å; C334-M388 PolarHBondContact N-O 2.52Å; C334-L389 HydrophobicContact CB-CG 4.45Å; C334-L389 WeakPolarHBondContact O-CA 3.22Å; C334-K390 PolarHBondContact O-N 3.36Å
335	L	98.8	Very high	98.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	130.9	178.9	-71.1	67.8	0	0	0	109.6	I228 C229 L230 G231 P232 H333 K390 L392 T406 Y409	I228-L335 HydrophobicContact CG2-CD1 3.97Å; C229-L335 WeakPolarHBondContact O-CA 3.29Å; C229-L335 WeakPolarHBondContact O-CB 3.19Å; C229-L335 PolarHBondContact O-N 3.01Å; L230-L335 HydrophobicContact CD2-CB 3.96Å; L230-L335 HydrophobicContact CD2-CD1 4.49Å; L230-L335 HydrophobicContact CD2-CD2 3.75Å; L230-L335 HydrophobicContact CD2-CG 4.27Å; G231-L335 PolarHBondContact N-O 3.17Å; P232-L335 WeakPolarHBondContact CD-O 3.27Å; H333-L335 HydrophobicContact CB-CD1 4.05Å; L335-K390 VanDerWaalsContact CA-O 3.28Å; L335-K390 WeakPolarHBondContact CA-O 3.48Å; L335-K390 HydrophobicContact CD1-CB 4.31Å; L335-K390 HydrophobicContact CG-CB 3.94Å; L335-K390 HydrophobicContact CG-CG 4.05Å; L335-L392 HydrophobicContact CB-CD1 3.97Å; L335-L392 HydrophobicContact CD2-CD1 4.29Å; L335-T406 HydrophobicContact CD2-CG2 4.1Å; L335-Y409 HydrophobicContact CD1-CD1 3.85Å; L335-Y409 HydrophobicContact CD1-CE1 3.58Å; L335-Y409 HydrophobicContact CD2-CD1 3.79Å; L335-Y409 HydrophobicContact CD2-CE1 4.37Å; L335-Y409 HydrophobicContact CD2-CG 4.15Å; L335-Y409 HydrophobicContact CG-CD1 4.22Å; L335-Y409 HydrophobicContact CG-CE1 4.32Å
336	Y	98.8	Very high	98.4	Very high	22 Å²	22	21.2 Å²	21.2	9%	0.086	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	141.8	-179.1	57.5	-90.2	0	0	0	111.6	L370 A373 V374 L389 K390 E391 L392	Y336-L370 HydrophobicContact CD2-CD1 3.58Å; Y336-L370 HydrophobicContact CE2-CD1 3.68Å; Y336-A373 HydrophobicContact CG-CB 4.26Å; Y336-V374 HydrophobicContact CD1-CG1 4.41Å; Y336-V374 HydrophobicContact CD2-CG1 4.07Å; Y336-V374 HydrophobicContact CE1-CG1 4.12Å; Y336-V374 HydrophobicContact CE2-CG1 3.77Å; Y336-V374 HydrophobicContact CG-CG1 4.39Å; Y336-L389 HydrophobicContact CE1-CB 4.09Å; Y336-L389 HydrophobicContact CE1-CD2 3.99Å; Y336-L389 HydrophobicContact CE1-CG 4.29Å; Y336-K390 PolarHBondContact N-O 2.82Å; Y336-K390 VanDerWaalsContact N-O 3.14Å; Y336-E391 HydrophobicContact CE2-CB 3.98Å; Y336-E391 HydrophobicContact CE2-CG 3.87Å; Y336-L392 PolarHBondContact O-N 3.25Å
337	G	98.3	Very high	98.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	151.5	171.7	0	0	0	0	0	112.2	L392	G337-L392 WeakPolarHBondContact CA-O 3.2Å
338	N	97.9	Very high	98.5	Very high	22 Å²	22	23.9 Å²	23.9	12%	0.118	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	170.8	168.4	73.8	-35.8	0	0	0	110.5	I340 G364 L370 E391 L392 P393 G394	N338-I340 VanDerWaalsContact C-N 3.27Å; N338-I340 PolarHBondContact O-N 3.36Å; N338-G364 CarbonylContact C-O 3.4Å; N338-G364 WeakPolarHBondContact CA-O 3.16Å; N338-L370 HydrophobicContact CB-CD1 4.06Å; N338-L370 HydrophobicContact CB-CD2 4.43Å; N338-E391 VanDerWaalsContact ND2-CD 3.3Å; N338-E391 PolarHBondContact ND2-OE1 3.35Å; N338-E391 VanDerWaalsContact OD1-CG 3.3Å; N338-E391 WeakPolarHBondContact OD1-CG 3.47Å; N338-E391 PolarHBondContact OD1-OE1 2.89Å; N338-L392 PolarHBondContact N-O 3.49Å; N338-P393 VanDerWaalsContact OD1-CA 3.22Å; N338-P393 WeakPolarHBondContact OD1-CA 3.39Å; N338-G394 PolarHBondContact O-N 3.27Å
339	G	98	Very high	98.4	Very high	57 Å²	57	25.9 Å²	25.9	59%	0.588	15%	0.152	S	C	*	.	S	Bend	trans	79.3	4.6	-178.3	0	0	0	0	0	114.3	D363	G339-D363 WeakPolarHBondContact CA-OD1 3.38Å; G339-D363 PolarHBondContact N-OD1 2.7Å
340	I	98.4	Very high	98.3	Very high	39 Å²	39	32.2 Å²	32.2	20%	0.2	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-101.7	125.6	174.5	-52.5	-77.6	0	0	0	108.7	N338 T342 G364 E396	N338-I340 VanDerWaalsContact C-N 3.27Å; N338-I340 PolarHBondContact O-N 3.36Å; I340-T342 PolarHBondContact O-N 2.97Å; I340-T342 PolarHBondContact O-OG1 3.2Å; I340-G364 WeakPolarHBondContact CB-O 3.43Å; I340-G364 PolarHBondContact N-O 3.41Å; I340-G364 CarbonylContact O-C 3.59Å; I340-G364 PolarHBondContact O-N 2.86Å; I340-E396 HydrophobicContact CD1-CB 4.47Å
341	P	98.5	Very high	98.2	Very high	91 Å²	91	37.7 Å²	37.7	59%	0.591	21%	0.208	S	C	*	.			trans	-53.6	116.2	175.3	-26.8	35	0	0	0	111.8	Y361	P341-Y361 HydrophobicContact CB-CD1 4.01Å; P341-Y361 HydrophobicContact CB-CG 4.17Å
342	T	98.6	Very high	98.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.3	-172.7	-57.2	0	0	0	0	110.3	I340 E344 Y361 G362 G364 D365 G366	I340-T342 PolarHBondContact O-N 2.97Å; I340-T342 PolarHBondContact O-OG1 3.2Å; T342-E344 PolarHBondContact O-N 2.67Å; T342-Y361 CarbonylContact O-C 3.59Å; T342-Y361 WeakPolarHBondContact O-CA 3.27Å; T342-G362 PolarHBondContact N-O 2.76Å; T342-G362 PolarHBondContact O-N 3.14Å; T342-G364 WeakPolarHBondContact OG1-CA 3.08Å; T342-G364 PolarHBondContact OG1-N 3.18Å; T342-D365 PolarHBondContact OG1-N 3.33Å; T342-G366 WeakPolarHBondContact OG1-CA 3.02Å; T342-G366 PolarHBondContact OG1-N 2.81Å
343	P	98.1	Very high	98	Very high	12 Å²	12	39.6 Å²	39.6	8%	0.078	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.5	126.8	-179.9	-27.4	34.9	0	0	0	112.2	A238 F346 V359 Y361 G366 N369	A238-P343 WeakPolarHBondContact CB-O 3.24Å; P343-F346 HydrophobicContact CB-CE1 3.85Å; P343-F346 HydrophobicContact CB-CZ 3.74Å; P343-V359 HydrophobicContact CB-CG1 3.81Å; P343-V359 HydrophobicContact CG-CG1 4.24Å; P343-Y361 HydrophobicContact CG-CD1 4.36Å; P343-Y361 HydrophobicContact CG-CE1 4.07Å; P343-G366 WeakPolarHBondContact CD-O 3.47Å; P343-N369 PolarHBondContact O-ND2 2.92Å
344	E	97.7	Very high	97.9	Very high	36 Å²	36	42.5 Å²	42.5	17%	0.168	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	-29.8	-174.3	-175.1	166.6	-120.8	0	0	113.1	W280 T342 T360 R371	W280-E344 HydrophobicContact CZ3-CG 4.26Å; T342-E344 PolarHBondContact O-N 2.67Å; E344-T360 PolarHBondContact N-O 2.72Å; E344-R371 IonicContact OE1-CZ 2.86Å; E344-R371 VanDerWaalsContact OE1-CZ 3.23Å; E344-R371 IonicContact OE1-NE 2.6Å; E344-R371 PolarHBondContact OE1-NE 3.45Å; E344-R371 IonicContact OE1-NH2 3.74Å; E344-R371 PolarHBondContact OE1-NH2 3.16Å
345	A	98.4	Very high	97.7	Very high	17 Å²	17	46.1 Å²	46.1	14%	0.14	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	158.7	172.9	0	0	0	0	0	111.7	L286 T360	L286-A345 CarbonylContact O-C 3.47Å; L286-A345 VanDerWaalsContact O-CA 3.3Å; L286-A345 WeakPolarHBondContact O-CA 3.37Å; A345-T360 PolarHBondContact N-O 2.84Å; A345-T360 PolarHBondContact O-N 3.26Å
346	F	98.6	Very high	97.5	Very high	3 Å²	3	49.4 Å²	49.4	1%	0.013	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	120.9	-172.7	-51.1	-79	0	0	0	110.9	A238 L241 R242 L286 V287 Q288 P343 Y348 P357 V359	A238-F346 HydrophobicContact CB-CE2 4.24Å; A238-F346 WeakPolarHBondContact O-CE2 3.17Å; L241-F346 HydrophobicContact CB-CD2 4.1Å; L241-F346 HydrophobicContact CB-CE2 4.05Å; R242-F346 HydrophobicContact CB-CD1 3.77Å; R242-F346 HydrophobicContact CB-CD2 4.48Å; R242-F346 HydrophobicContact CB-CE1 3.56Å; R242-F346 HydrophobicContact CB-CE2 4.33Å; R242-F346 HydrophobicContact CB-CG 4.24Å; R242-F346 HydrophobicContact CB-CZ 3.88Å; R242-F346 HydrophobicContact CG-CD1 4.34Å; R242-F346 HydrophobicContact CG-CE1 4.28Å; L286-F346 PolarHBondContact O-N 2.79Å; V287-F346 CarbonylContact C-O 3.58Å; V287-F346 WeakPolarHBondContact CA-O 3.34Å; V287-F346 HydrophobicContact CG2-CD2 4.34Å; Q288-F346 PolarHBondContact N-O 3.1Å; P343-F346 HydrophobicContact CB-CE1 3.85Å; P343-F346 HydrophobicContact CB-CZ 3.74Å; F346-Y348 HydrophobicContact CB-CD2 4.26Å; F346-Y348 HydrophobicContact CB-CE2 3.66Å; F346-P357 HydrophobicContact CB-CB 3.84Å; F346-P357 HydrophobicContact CB-CG 3.98Å; F346-P357 HydrophobicContact CD1-CB 4.47Å; F346-P357 HydrophobicContact CD1-CG 3.78Å; F346-P357 HydrophobicContact CG-CG 4.29Å; F346-V359 HydrophobicContact CD1-CG1 4.29Å; F346-V359 HydrophobicContact CD1-CG2 4.08Å; F346-V359 HydrophobicContact CE1-CG1 3.99Å; F346-V359 HydrophobicContact CE1-CG2 4.25Å
347	R	98.6	Very high	97.4	Very high	141 Å²	141	49 Å²	49	53%	0.532	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	114.7	174	-178.1	179.7	-70.5	-158.1	1.4	110.2	Q288 P357 N358	Q288-R347 HydrophobicContact CB-CG 4.42Å; Q288-R347 HydrophobicContact CG-CG 4.36Å; Q288-R347 CarbonylContact O-C 3.34Å; Q288-R347 WeakPolarHBondContact O-CA 3.39Å; R347-P357 WeakPolarHBondContact O-CA 3.2Å; R347-N358 HydrophobicContact CB-CB 4.46Å; R347-N358 PolarHBondContact N-O 2.74Å; R347-N358 PolarHBondContact O-N 3.1Å
348	Y	98.5	Very high	97.3	Very high	7 Å²	7	55 Å²	55	3%	0.027	30%	0.297	C	S	.	.			trans	-96.4	152.7	177	-70.2	-93.8	0	0	0	111.9	T245 S246 V287 Q288 F346 F352 M355 P357	T245-Y348 WeakPolarHBondContact CB-OH 3.28Å; T245-Y348 HydrophobicContact CG2-CD1 4.39Å; T245-Y348 HydrophobicContact CG2-CE1 3.7Å; T245-Y348 HydrophobicContact CG2-CE2 3.82Å; T245-Y348 WeakPolarHBondContact CG2-OH 2.98Å; S246-Y348 PolarHBondContact OG-OH 3.31Å; S246-Y348 VanDerWaalsContact OG-OH 3.13Å; V287-Y348 HydrophobicContact CG1-CD2 3.81Å; V287-Y348 HydrophobicContact CG1-CE2 3.95Å; Q288-Y348 PolarHBondContact O-N 3.08Å; F346-Y348 HydrophobicContact CB-CD2 4.26Å; F346-Y348 HydrophobicContact CB-CE2 3.66Å; Y348-F352 HydrophobicContact CD1-CD2 4.02Å; Y348-F352 AromaticContact CD2-CD2 3.81Å; Y348-F352 HydrophobicContact CD2-CD2 3.81Å; Y348-F352 HydrophobicContact CD2-CE2 4.15Å; Y348-F352 HydrophobicContact CE2-CD2 4.41Å; Y348-F352 HydrophobicContact CE2-CE2 4.46Å; Y348-F352 AromaticContact CG-CD2 3.6Å; Y348-F352 HydrophobicContact CG-CD2 3.6Å; Y348-F352 HydrophobicContact CG-CE2 4.38Å; Y348-M355 WeakPolarHBondContact CD1-O 3.48Å; Y348-M355 WeakPolarHBondContact CE1-O 3.27Å; Y348-P357 HydrophobicContact CD1-CB 3.93Å; Y348-P357 HydrophobicContact CD2-CB 3.87Å; Y348-P357 HydrophobicContact CE1-CB 3.72Å; Y348-P357 HydrophobicContact CE1-CG 3.92Å; Y348-P357 HydrophobicContact CE2-CB 3.66Å; Y348-P357 HydrophobicContact CE2-CG 4.04Å; Y348-P357 HydrophobicContact CG-CB 3.99Å
349	S	97.6	Very high	97.3	Very high	43 Å²	43	55.6 Å²	55.6	30%	0.301	30%	0.301	S	S	.	.			trans	-78.1	-170.3	170.9	62.7	0	0	0	0	111.6	P290 K351 F352	P290-S349 WeakPolarHBondContact CD-O 3.3Å; S349-K351 PolarHBondContact O-N 3.14Å; S349-K351 VanDerWaalsContact O-N 3.14Å; S349-K351 PolarHBondContact OG-N 2.74Å; S349-F352 PolarHBondContact O-N 3.47Å
350	D	96	Very high	97.4	Very high	137 Å²	137	56.6 Å²	56.6	73%	0.733	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-6.6	170.6	62.6	-30.5	0	0	0	113.9	P290	P290-D350 HydrophobicContact CG-CB 4.38Å
351	K	95.7	Very high	97.4	Very high	119 Å²	119	61.2 Å²	61.2	52%	0.517	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	13.2	176.5	-62.5	177.7	178.8	179.5	0	113.9	S349 D354 M355	S349-K351 PolarHBondContact O-N 3.14Å; S349-K351 VanDerWaalsContact O-N 3.14Å; S349-K351 PolarHBondContact OG-N 2.74Å; K351-D354 PolarHBondContact O-N 2.94Å; K351-M355 HydrophobicContact CB-CB 3.88Å; K351-M355 HydrophobicContact CB-CE 4.38Å; K351-M355 HydrophobicContact CB-SD 4.19Å; K351-M355 HydrophobicContact CD-CE 3.24Å; K351-M355 HydrophobicContact CD-SD 3.76Å; K351-M355 HydrophobicContact CG-CE 4.43Å
352	F	96.9	Very high	97.4	Very high	38 Å²	38	57.7 Å²	57.7	17%	0.167	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	135.9	170.2	177.3	-94.1	0	0	0	111	T245 V287 T289 Y294 F302 D305 I306 Y348 S349	T245-F352 HydrophobicContact CG2-CD2 3.79Å; T245-F352 HydrophobicContact CG2-CE2 3.41Å; T245-F352 VanDerWaalsContact CG2-CE2 3.41Å; T245-F352 HydrophobicContact CG2-CZ 4.24Å; V287-F352 HydrophobicContact CG1-CE2 4Å; T289-F352 HydrophobicContact CG2-CB 4.04Å; T289-F352 HydrophobicContact CG2-CD1 3.92Å; T289-F352 HydrophobicContact CG2-CD2 3.53Å; T289-F352 HydrophobicContact CG2-CE1 4.19Å; T289-F352 HydrophobicContact CG2-CE2 3.81Å; T289-F352 HydrophobicContact CG2-CG 3.56Å; T289-F352 HydrophobicContact CG2-CZ 4.12Å; Y294-F352 HydrophobicContact CE2-CZ 4.19Å; F302-F352 HydrophobicContact CE2-CZ 4.35Å; D305-F352 HydrophobicContact CB-CE1 4.31Å; I306-F352 HydrophobicContact CG2-CE1 3.86Å; I306-F352 HydrophobicContact CG2-CE2 4.13Å; I306-F352 HydrophobicContact CG2-CZ 3.35Å; Y348-F352 HydrophobicContact CD1-CD2 4.02Å; Y348-F352 AromaticContact CD2-CD2 3.81Å; Y348-F352 HydrophobicContact CD2-CD2 3.81Å; Y348-F352 HydrophobicContact CD2-CE2 4.15Å; Y348-F352 HydrophobicContact CE2-CD2 4.41Å; Y348-F352 HydrophobicContact CE2-CE2 4.46Å; Y348-F352 AromaticContact CG-CD2 3.6Å; Y348-F352 HydrophobicContact CG-CD2 3.6Å; Y348-F352 HydrophobicContact CG-CE2 4.38Å; S349-F352 PolarHBondContact O-N 3.47Å
353	P	96.6	Very high	97.4	Very high	21 Å²	21	61 Å²	61	14%	0.136	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	cis	-97.5	9.8	3.1	39	-36.7	0	0	0	114.7	T245 S246 R261 I306	T245-P353 CarbonylContact C-O 3.49Å; T245-P353 HydrophobicContact CG2-CB 3.62Å; T245-P353 VanDerWaalsContact O-O 3.08Å; S246-P353 WeakPolarHBondContact CA-O 3.25Å; R261-P353 PolarHBondContact NH1-O 2.83Å; I306-P353 HydrophobicContact CB-CB 4.21Å; I306-P353 HydrophobicContact CB-CG 4.4Å; I306-P353 HydrophobicContact CG2-CB 4Å
354	D	96.6	Very high	97.4	Very high	88 Å²	88	60.4 Å²	60.4	47%	0.471	31%	0.306	S	S	.	.	S	Bend	trans	-99.7	21.8	-164.4	-64	-38	0	0	0	114.7	L258 R261 K351	L258-D354 HydrophobicContact CD1-CB 4.3Å; L258-D354 HydrophobicContact CD2-CB 4.23Å; R261-D354 IonicContact CZ-OD1 2.83Å; R261-D354 VanDerWaalsContact CZ-OD1 3.23Å; R261-D354 IonicContact NH1-OD1 3.9Å; R261-D354 PolarHBondContact NH1-OD1 3.35Å; R261-D354 IonicContact NH2-OD1 3.62Å; R261-D354 PolarHBondContact NH2-OD1 3.49Å; K351-D354 PolarHBondContact O-N 2.94Å
355	M	94.5	Very high	97.4	Very high	76 Å²	76	58.7 Å²	58.7	37%	0.374	30%	0.298	S	S	.	.	S	Bend	trans	-139.4	148.2	177.1	177.8	168.1	-76.5	0	0	110.1	Y348 K351	Y348-M355 WeakPolarHBondContact CD1-O 3.48Å; Y348-M355 WeakPolarHBondContact CE1-O 3.27Å; K351-M355 HydrophobicContact CB-CB 3.88Å; K351-M355 HydrophobicContact CB-CE 4.38Å; K351-M355 HydrophobicContact CB-SD 4.19Å; K351-M355 HydrophobicContact CD-CE 3.24Å; K351-M355 HydrophobicContact CD-SD 3.76Å; K351-M355 HydrophobicContact CG-CE 4.43Å
356	E	94.2	Very high	97.4	Very high	69 Å²	69	58.8 Å²	58.8	32%	0.322	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-59.9	142.5	176	-73.2	-60.7	116.2	0	0	113	R242 S246	R242-E356 IonicContact CZ-OE2 3.52Å; R242-E356 IonicContact NE-OE2 3.65Å; R242-E356 PolarHBondContact NE-OE2 3.19Å; R242-E356 IonicContact NH2-OE2 2.84Å; R242-E356 PolarHBondContact NH2-OE2 2.76Å; S246-E356 WeakPolarHBondContact CB-OE1 3.25Å; S246-E356 PolarHBondContact OG-OE1 3.16Å
357	P	97	Very high	97.4	Very high	12 Å²	12	60 Å²	60	8%	0.078	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-84	162.7	178.1	33.9	-33.5	0	0	0	112.3	R242 F346 R347 Y348 V359	R242-P357 HydrophobicContact CG-CG 4.23Å; F346-P357 HydrophobicContact CB-CB 3.84Å; F346-P357 HydrophobicContact CB-CG 3.98Å; F346-P357 HydrophobicContact CD1-CB 4.47Å; F346-P357 HydrophobicContact CD1-CG 3.78Å; F346-P357 HydrophobicContact CG-CG 4.29Å; R347-P357 WeakPolarHBondContact O-CA 3.2Å; Y348-P357 HydrophobicContact CD1-CB 3.93Å; Y348-P357 HydrophobicContact CD2-CB 3.87Å; Y348-P357 HydrophobicContact CE1-CB 3.72Å; Y348-P357 HydrophobicContact CE1-CG 3.92Å; Y348-P357 HydrophobicContact CE2-CB 3.66Å; Y348-P357 HydrophobicContact CE2-CG 4.04Å; Y348-P357 HydrophobicContact CG-CB 3.99Å; P357-V359 HydrophobicContact CG-CG2 4.22Å
358	N	97.9	Very high	97.4	Very high	127 Å²	127	53.4 Å²	53.4	68%	0.679	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	125.3	153.1	-71.8	-15.8	0	0	0	108.7	R347	R347-N358 HydrophobicContact CB-CB 4.46Å; R347-N358 PolarHBondContact N-O 2.74Å; R347-N358 PolarHBondContact O-N 3.1Å
359	V	97.9	Very high	97.4	Very high	34 Å²	34	53 Å²	53	21%	0.206	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	129.3	-176.3	-174.3	0	0	0	0	110.1	P343 F346 P357 Y361	P343-V359 HydrophobicContact CB-CG1 3.81Å; P343-V359 HydrophobicContact CG-CG1 4.24Å; F346-V359 HydrophobicContact CD1-CG1 4.29Å; F346-V359 HydrophobicContact CD1-CG2 4.08Å; F346-V359 HydrophobicContact CE1-CG1 3.99Å; F346-V359 HydrophobicContact CE1-CG2 4.25Å; P357-V359 HydrophobicContact CG-CG2 4.22Å; V359-Y361 HydrophobicContact CB-CD2 4.5Å; V359-Y361 HydrophobicContact CB-CE2 3.77Å; V359-Y361 HydrophobicContact CG1-CD1 4.26Å; V359-Y361 HydrophobicContact CG1-CD2 4.22Å; V359-Y361 HydrophobicContact CG1-CE1 3.87Å; V359-Y361 HydrophobicContact CG1-CE2 3.81Å; V359-Y361 HydrophobicContact CG1-CG 4.43Å; V359-Y361 WeakPolarHBondContact O-CE2 3.36Å
360	T	98.4	Very high	97.4	Very high	79 Å²	79	53 Å²	53	49%	0.485	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	133.1	164.4	-59.3	0	0	0	0	108.4	E344 A345	E344-T360 PolarHBondContact N-O 2.72Å; A345-T360 PolarHBondContact N-O 2.84Å; A345-T360 PolarHBondContact O-N 3.26Å
361	Y	98.4	Very high	97.5	Very high	135 Å²	135	49.8 Å²	49.8	53%	0.529	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	135.4	-178.9	-61.6	-93	0	0	0	110.7	P341 T342 P343 V359	P341-Y361 HydrophobicContact CB-CD1 4.01Å; P341-Y361 HydrophobicContact CB-CG 4.17Å; T342-Y361 CarbonylContact O-C 3.59Å; T342-Y361 WeakPolarHBondContact O-CA 3.27Å; P343-Y361 HydrophobicContact CG-CD1 4.36Å; P343-Y361 HydrophobicContact CG-CE1 4.07Å; V359-Y361 HydrophobicContact CB-CD2 4.5Å; V359-Y361 HydrophobicContact CB-CE2 3.77Å; V359-Y361 HydrophobicContact CG1-CD1 4.26Å; V359-Y361 HydrophobicContact CG1-CD2 4.22Å; V359-Y361 HydrophobicContact CG1-CE1 3.87Å; V359-Y361 HydrophobicContact CG1-CE2 3.81Å; V359-Y361 HydrophobicContact CG1-CG 4.43Å; V359-Y361 WeakPolarHBondContact O-CE2 3.36Å
362	G	98.3	Very high	97.7	Very high	18 Å²	18	44.1 Å²	44.1	19%	0.186	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-165	166.8	0	0	0	0	0	111	T342	T342-G362 PolarHBondContact N-O 2.76Å; T342-G362 PolarHBondContact O-N 3.14Å
363	D	98.7	Very high	97.8	Very high	69 Å²	69	42.4 Å²	42.4	37%	0.369	22%	0.224	S	C	.	.	S	Bend	trans	-86.7	148.9	178.7	-164.9	12.2	0	0	0	112.2	G339 L370	G339-D363 WeakPolarHBondContact CA-OD1 3.38Å; G339-D363 PolarHBondContact N-OD1 2.7Å; D363-L370 HydrophobicContact CB-CB 4.29Å; D363-L370 HydrophobicContact CB-CD2 4.36Å; D363-L370 WeakPolarHBondContact O-CB 3.44Å; D363-L370 PolarHBondContact O-N 2.99Å; D363-L370 VanDerWaalsContact OD2-CD2 3.25Å; D363-L370 WeakPolarHBondContact OD2-CD2 3.36Å
364	G	98.7	Very high	97.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	162.1	-155.8	-178.7	0	0	0	0	0	112.6	N338 I340 T342 V368	N338-G364 CarbonylContact C-O 3.4Å; N338-G364 WeakPolarHBondContact CA-O 3.16Å; I340-G364 WeakPolarHBondContact CB-O 3.43Å; I340-G364 PolarHBondContact N-O 3.41Å; I340-G364 CarbonylContact O-C 3.59Å; I340-G364 PolarHBondContact O-N 2.86Å; T342-G364 WeakPolarHBondContact OG1-CA 3.08Å; T342-G364 PolarHBondContact OG1-N 3.18Å; G364-V368 VanDerWaalsContact CA-O 3.27Å; G364-V368 WeakPolarHBondContact CA-O 3.45Å
365	D	98.5	Very high	97.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-104.9	13.6	-179.5	67.1	12.3	0	0	0	113.5	T342 T367 V368 E396 H397 M400	T342-D365 PolarHBondContact OG1-N 3.33Å; D365-T367 PolarHBondContact OD1-N 3.4Å; D365-V368 PolarHBondContact N-O 3.3Å; D365-V368 PolarHBondContact OD1-N 3.42Å; D365-E396 CarbonylContact O-C 3.38Å; D365-E396 WeakPolarHBondContact O-CA 3.49Å; D365-H397 HydrophobicContact CB-CB 4.39Å; D365-H397 PolarHBondContact O-N 3.06Å; D365-H397 IonicContact OD1-CG 2.79Å; D365-H397 IonicContact OD1-ND1 3.37Å; D365-H397 PolarHBondContact OD1-ND1 2.91Å; D365-H397 IonicContact OD2-CE1 2.96Å; D365-H397 IonicContact OD2-CG 2.8Å; D365-H397 IonicContact OD2-ND1 3.31Å; D365-H397 PolarHBondContact OD2-ND1 3.16Å; D365-M400 HydrophobicContact CB-CE 4.35Å; D365-M400 WeakPolarHBondContact OD2-CE 3.47Å
366	G	97.7	Very high	98.1	Very high	18 Å²	18	34.9 Å²	34.9	19%	0.186	18%	0.184	C	C	.	.	S	Bend	trans	96.6	-22.9	-175.9	0	0	0	0	0	113.3	T342 P343	T342-G366 WeakPolarHBondContact OG1-CA 3.02Å; T342-G366 PolarHBondContact OG1-N 2.81Å; P343-G366 WeakPolarHBondContact CD-O 3.47Å
367	T	97.9	Very high	98.2	Very high	30 Å²	30	37 Å²	37	18%	0.184	19%	0.193	C	C	.	.	S	Bend	trans	-122.6	-52.5	176.8	-64.6	0	0	0	0	111.9	D365	D365-T367 PolarHBondContact OD1-N 3.4Å
368	V	98.8	Very high	98.2	Very high	1 Å²	1	41 Å²	41	1%	0.006	21%	0.206	C	C	.	.	S	Bend	trans	-93.2	118.6	-177.6	-176.1	0	0	0	0	109.6	P233 V237 G364 D365 L370 A373 H397	P233-V368 HydrophobicContact CB-CG1 4.19Å; P233-V368 HydrophobicContact CB-CG2 4.06Å; V237-V368 HydrophobicContact CG1-CB 4.2Å; V237-V368 HydrophobicContact CG1-CG1 4.24Å; V237-V368 HydrophobicContact CG1-CG2 3.89Å; G364-V368 VanDerWaalsContact CA-O 3.27Å; G364-V368 WeakPolarHBondContact CA-O 3.45Å; D365-V368 PolarHBondContact N-O 3.3Å; D365-V368 PolarHBondContact OD1-N 3.42Å; V368-L370 PolarHBondContact O-N 3.2Å; V368-A373 HydrophobicContact CG1-CB 3.99Å; V368-H397 WeakPolarHBondContact CG2-CE1 3.49Å
369	N	98.8	Very high	98.2	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-61.5	136.4	174.9	-53.8	92.9	0	0	0	109.9	A238 W280 P343 R371 S372 A373	A238-N369 PolarHBondContact N-OD1 3.29Å; W280-N369 HydrophobicContact CH2-CB 3.94Å; W280-N369 VanDerWaalsContact CH2-CG 3.44Å; W280-N369 WeakPolarHBondContact CH2-OD1 3.35Å; W280-N369 HydrophobicContact CZ2-CB 3.9Å; W280-N369 WeakPolarHBondContact CZ2-OD1 3.33Å; P343-N369 PolarHBondContact O-ND2 2.92Å; N369-R371 HydrophobicContact CB-CG 3.92Å; N369-R371 PolarHBondContact O-N 3.07Å; N369-R371 VanDerWaalsContact O-N 3.1Å; N369-S372 WeakPolarHBondContact O-CA 3.31Å; N369-S372 VanDerWaalsContact O-CB 3.23Å; N369-S372 WeakPolarHBondContact O-CB 3.33Å; N369-S372 PolarHBondContact O-N 3.33Å; N369-A373 PolarHBondContact O-N 3.4Å
370	L	98.8	Very high	98.1	Very high	41 Å²	41	36.5 Å²	36.5	22%	0.215	19%	0.189	C	C	.	.	H	α-helix	trans	-52.5	-41.1	-177.4	177.8	63.1	0	0	0	112	Y336 N338 D363 V368 S372 A373 V374	Y336-L370 HydrophobicContact CD2-CD1 3.58Å; Y336-L370 HydrophobicContact CE2-CD1 3.68Å; N338-L370 HydrophobicContact CB-CD1 4.06Å; N338-L370 HydrophobicContact CB-CD2 4.43Å; D363-L370 HydrophobicContact CB-CB 4.29Å; D363-L370 HydrophobicContact CB-CD2 4.36Å; D363-L370 WeakPolarHBondContact O-CB 3.44Å; D363-L370 PolarHBondContact O-N 2.99Å; D363-L370 VanDerWaalsContact OD2-CD2 3.25Å; D363-L370 WeakPolarHBondContact OD2-CD2 3.36Å; V368-L370 PolarHBondContact O-N 3.2Å; L370-S372 PolarHBondContact O-N 2.85Å; L370-S372 VanDerWaalsContact O-N 3.16Å; L370-A373 PolarHBondContact O-N 3.18Å; L370-A373 VanDerWaalsContact O-N 3.14Å; L370-V374 HydrophobicContact CD1-CG1 3.59Å; L370-V374 HydrophobicContact CG-CG1 4.15Å; L370-V374 WeakPolarHBondContact O-CG1 3.26Å; L370-V374 WeakPolarHBondContact O-CG2 3.34Å; L370-V374 PolarHBondContact O-N 3.27Å; L370-V374 VanDerWaalsContact O-N 3.09Å
371	R	98.1	Very high	97.8	Very high	71 Å²	71	36.6 Å²	36.6	27%	0.268	21%	0.207	S	C	.	.	H	α-helix	trans	-55.3	-31.6	176.1	65.7	179.2	68.1	-159.5	1.4	113.3	T279 W280 E344 N369 Q375	T279-R371 WeakPolarHBondContact CG2-O 3.39Å; W280-R371 HydrophobicContact CH2-CG 4.49Å; W280-R371 HydrophobicContact CZ2-CG 4.17Å; E344-R371 IonicContact OE1-CZ 2.86Å; E344-R371 VanDerWaalsContact OE1-CZ 3.23Å; E344-R371 IonicContact OE1-NE 2.6Å; E344-R371 PolarHBondContact OE1-NE 3.45Å; E344-R371 IonicContact OE1-NH2 3.74Å; E344-R371 PolarHBondContact OE1-NH2 3.16Å; N369-R371 HydrophobicContact CB-CG 3.92Å; N369-R371 PolarHBondContact O-N 3.07Å; N369-R371 VanDerWaalsContact O-N 3.1Å; R371-Q375 WeakPolarHBondContact O-CG 3.45Å; R371-Q375 PolarHBondContact O-NE2 3.44Å
372	S	98.7	Very high	97.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-78.8	-48.5	176.6	-169.9	0	0	0	0	110.3	P233 W234 A235 G236 N369 L370 V374 Q375	P233-S372 VanDerWaalsContact C-OG 3.25Å; W234-S372 WeakPolarHBondContact CB-O 3.48Å; W234-S372 PolarHBondContact N-OG 2.62Å; A235-S372 WeakPolarHBondContact CA-OG 3.37Å; A235-S372 PolarHBondContact N-OG 3.07Å; G236-S372 PolarHBondContact N-OG 2.67Å; G236-S372 WeakPolarHBondContact O-CB 3.19Å; G236-S372 PolarHBondContact O-OG 3.12Å; N369-S372 WeakPolarHBondContact O-CA 3.31Å; N369-S372 VanDerWaalsContact O-CB 3.23Å; N369-S372 WeakPolarHBondContact O-CB 3.33Å; N369-S372 PolarHBondContact O-N 3.33Å; L370-S372 PolarHBondContact O-N 2.85Å; L370-S372 VanDerWaalsContact O-N 3.16Å; S372-V374 VanDerWaalsContact C-N 3.31Å; S372-V374 PolarHBondContact O-N 3.02Å; S372-Q375 VanDerWaalsContact O-CG 3.31Å; S372-Q375 WeakPolarHBondContact O-CG 3.3Å; S372-Q375 PolarHBondContact O-N 2.83Å
373	A	98.7	Very high	97.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-60.6	-36.1	-175.8	0	0	0	0	0	114.3	P232 W234 Y336 V368 N369 L370 Q375	P232-A373 VanDerWaalsContact O-CA 3.26Å; P232-A373 WeakPolarHBondContact O-CA 3.46Å; W234-A373 PolarHBondContact NE1-O 2.76Å; Y336-A373 HydrophobicContact CG-CB 4.26Å; V368-A373 HydrophobicContact CG1-CB 3.99Å; N369-A373 PolarHBondContact O-N 3.4Å; L370-A373 PolarHBondContact O-N 3.18Å; L370-A373 VanDerWaalsContact O-N 3.14Å; A373-Q375 VanDerWaalsContact C-N 3.27Å; A373-Q375 PolarHBondContact O-N 3.06Å
374	V	98.4	Very high	97.7	Very high	16 Å²	16	43.1 Å²	43.1	10%	0.097	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-81.1	2.1	-175.6	-57.6	0	0	0	0	114.6	Y336 L370 S372 C376 K377	Y336-V374 HydrophobicContact CD1-CG1 4.41Å; Y336-V374 HydrophobicContact CD2-CG1 4.07Å; Y336-V374 HydrophobicContact CE1-CG1 4.12Å; Y336-V374 HydrophobicContact CE2-CG1 3.77Å; Y336-V374 HydrophobicContact CG-CG1 4.39Å; L370-V374 HydrophobicContact CD1-CG1 3.59Å; L370-V374 HydrophobicContact CG-CG1 4.15Å; L370-V374 WeakPolarHBondContact O-CG1 3.26Å; L370-V374 WeakPolarHBondContact O-CG2 3.34Å; L370-V374 PolarHBondContact O-N 3.27Å; L370-V374 VanDerWaalsContact O-N 3.09Å; S372-V374 VanDerWaalsContact C-N 3.31Å; S372-V374 PolarHBondContact O-N 3.02Å; V374-C376 PolarHBondContact O-N 2.93Å; V374-K377 HydrophobicContact CB-CD 4.45Å; V374-K377 HydrophobicContact CG2-CD 4.38Å; V374-K377 WeakPolarHBondContact O-CB 3.23Å; V374-K377 WeakPolarHBondContact O-CD 3.47Å; V374-K377 WeakPolarHBondContact O-CG 3.05Å; V374-K377 PolarHBondContact O-N 2.8Å
375	Q	98.4	Very high	97.7	Very high	12 Å²	12	45.2 Å²	45.2	6%	0.056	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-66.4	-19.7	-174.6	-65	-56.3	-41.9	0	0	114.3	W234 A235 T279 L325 R371 S372 A373 K377 R378	W234-Q375 HydrophobicContact CB-CB 3.7Å; W234-Q375 HydrophobicContact CB-CG 4.24Å; W234-Q375 HydrophobicContact CG-CB 4.1Å; A235-Q375 HydrophobicContact CB-CG 4.18Å; T279-Q375 HydrophobicContact CG2-CG 4.11Å; T279-Q375 VanDerWaalsContact CG2-NE2 3.26Å; T279-Q375 VanDerWaalsContact OG1-CD 3.29Å; T279-Q375 PolarHBondContact OG1-OE1 3.12Å; L325-Q375 HydrophobicContact CD1-CB 3.91Å; L325-Q375 HydrophobicContact CD1-CG 4.35Å; R371-Q375 WeakPolarHBondContact O-CG 3.45Å; R371-Q375 PolarHBondContact O-NE2 3.44Å; S372-Q375 VanDerWaalsContact O-CG 3.31Å; S372-Q375 WeakPolarHBondContact O-CG 3.3Å; S372-Q375 PolarHBondContact O-N 2.83Å; A373-Q375 VanDerWaalsContact C-N 3.27Å; A373-Q375 PolarHBondContact O-N 3.06Å; Q375-K377 PolarHBondContact O-N 3.23Å; Q375-R378 WeakPolarHBondContact O-CB 3.47Å; Q375-R378 WeakPolarHBondContact O-CG 3.5Å; Q375-R378 PolarHBondContact O-N 2.77Å; Q375-R378 VanDerWaalsContact OE1-NH2 3.14Å
376	C	97.2	Very high	97.6	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-53	-25.4	168.3	50.4	0	0	0	0	113.1	C334 V374 R378 W379 V387	C334-C376 HydrophobicContact CB-CB 3.65Å; C334-C376 WeakPolarHBondContact CB-SG 3.06Å; C334-C376 WeakPolarHBondContact SG-CB 3.43Å; C334-C376 CovalentContact SG-SG 2.03Å; C334-C376 PolarHBondContact SG-SG 2.84Å; V374-C376 PolarHBondContact O-N 2.93Å; C376-R378 PolarHBondContact O-N 3.29Å; C376-R378 VanDerWaalsContact O-N 3.12Å; C376-W379 HydrophobicContact CB-CE3 3.85Å; C376-W379 HydrophobicContact CB-CZ3 3.82Å; C376-W379 WeakPolarHBondContact O-CB 3.17Å; C376-W379 PolarHBondContact O-N 3.38Å; C376-V387 WeakPolarHBondContact O-CG1 3.3Å
377	K	97.1	Very high	97.7	Very high	113 Å²	113	49.4 Å²	49.4	49%	0.491	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-57.5	-25.8	174.1	77.4	-168.1	175.8	179.2	0	113.9	V374 Q375 W379 A380 L389	V374-K377 HydrophobicContact CB-CD 4.45Å; V374-K377 HydrophobicContact CG2-CD 4.38Å; V374-K377 WeakPolarHBondContact O-CB 3.23Å; V374-K377 WeakPolarHBondContact O-CD 3.47Å; V374-K377 WeakPolarHBondContact O-CG 3.05Å; V374-K377 PolarHBondContact O-N 2.8Å; Q375-K377 PolarHBondContact O-N 3.23Å; K377-W379 PolarHBondContact O-N 3.43Å; K377-A380 WeakPolarHBondContact O-CB 3.33Å; K377-A380 PolarHBondContact O-N 2.91Å; K377-L389 HydrophobicContact CB-CD1 4.21Å; K377-L389 HydrophobicContact CB-CD2 3.79Å
378	R	96.1	Very high	97.7	Very high	97 Å²	97	50.7 Å²	50.7	37%	0.366	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-64.3	-28.2	178	-66.4	-175.9	173.4	-177.3	4.3	112.2	H278 Q375 C376 A380 Q382	H278-R378 PolarHBondContact O-NH1 2.66Å; H278-R378 PolarHBondContact O-NH2 3.1Å; Q375-R378 WeakPolarHBondContact O-CB 3.47Å; Q375-R378 WeakPolarHBondContact O-CG 3.5Å; Q375-R378 PolarHBondContact O-N 2.77Å; Q375-R378 VanDerWaalsContact OE1-NH2 3.14Å; C376-R378 PolarHBondContact O-N 3.29Å; C376-R378 VanDerWaalsContact O-N 3.12Å; R378-A380 PolarHBondContact O-N 2.79Å; R378-Q382 VanDerWaalsContact O-CG 3.25Å; R378-Q382 WeakPolarHBondContact O-CG 3.2Å; R378-Q382 PolarHBondContact O-NE2 3.19Å; R378-Q382 PolarHBondContact O-OE1 3.25Å
379	W	98.3	Very high	97.7	Very high	1 Å²	1	53.9 Å²	53.9	0%	0.004	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-74.2	-15.9	-178.2	-56.7	-28.5	0	0	0	113	L209 W234 L325 A327 P328 V332 C376 K377 G381 Q382 Q383 V387	L209-W379 HydrophobicContact CD1-CH2 4.05Å; L209-W379 HydrophobicContact CD1-CZ2 3.86Å; L209-W379 HydrophobicContact CD2-CH2 4.29Å; L209-W379 HydrophobicContact CD2-CZ2 3.9Å; W234-W379 HydrophobicContact CD2-CH2 4.07Å; W234-W379 AromaticContact CE2-CH2 3.81Å; W234-W379 HydrophobicContact CE3-CH2 4.02Å; W234-W379 HydrophobicContact CE3-CZ2 4.41Å; W234-W379 AromaticContact CH2-CH2 3.61Å; W234-W379 HydrophobicContact CH2-CH2 3.61Å; W234-W379 HydrophobicContact CH2-CZ3 4.24Å; W234-W379 AromaticContact CZ2-CH2 3.59Å; W234-W379 HydrophobicContact CZ2-CH2 3.59Å; W234-W379 AromaticContact CZ2-CZ3 3.92Å; W234-W379 HydrophobicContact CZ2-CZ3 3.92Å; W234-W379 AromaticContact CZ3-CH2 3.83Å; W234-W379 HydrophobicContact CZ3-CH2 3.83Å; L325-W379 PolarHBondContact O-NE1 2.74Å; A327-W379 VanDerWaalsContact CA-CD1 3.5Å; A327-W379 HydrophobicContact CB-CB 4.01Å; A327-W379 HydrophobicContact CB-CG 3.84Å; P328-W379 HydrophobicContact CG-CE3 4.19Å; P328-W379 HydrophobicContact CG-CZ3 4.17Å; V332-W379 HydrophobicContact CG1-CE3 4.23Å; V332-W379 HydrophobicContact CG1-CZ3 4.05Å; V332-W379 HydrophobicContact CG2-CE3 4.17Å; V332-W379 HydrophobicContact CG2-CZ3 4.28Å; C376-W379 HydrophobicContact CB-CE3 3.85Å; C376-W379 HydrophobicContact CB-CZ3 3.82Å; C376-W379 WeakPolarHBondContact O-CB 3.17Å; C376-W379 PolarHBondContact O-N 3.38Å; K377-W379 PolarHBondContact O-N 3.43Å; W379-G381 PolarHBondContact O-N 2.04Å; W379-G381 VanDerWaalsContact O-N 3.12Å; W379-Q382 PolarHBondContact O-N 3.21Å; W379-Q383 WeakPolarHBondContact O-CG 3.38Å; W379-V387 HydrophobicContact CB-CG2 3.83Å
380	A	95.4	Very high	97.6	Very high	64 Å²	64	57.4 Å²	57.4	53%	0.529	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	116.6	172.3	0	0	0	0	0	109.7	K377 R378 Q382	K377-A380 WeakPolarHBondContact O-CB 3.33Å; K377-A380 PolarHBondContact O-N 2.91Å; R378-A380 PolarHBondContact O-N 2.79Å; A380-Q382 VanDerWaalsContact C-N 3.31Å; A380-Q382 PolarHBondContact O-N 2.77Å
381	G	93.5	Very high	97.6	Very high	82 Å²	82	59.5 Å²	59.5	85%	0.845	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	-7.1	-176.2	0	0	0	0	0	115.5	W379	W379-G381 PolarHBondContact O-N 2.04Å; W379-G381 VanDerWaalsContact O-N 3.12Å
382	Q	96.9	Very high	97.6	Very high	125 Å²	125	56.3 Å²	56.3	58%	0.584	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-13.9	173.1	-64.6	-176.5	-9.5	0	0	113.1	A327 R378 W379 A380	A327-Q382 HydrophobicContact CB-CB 4.18Å; R378-Q382 VanDerWaalsContact O-CG 3.25Å; R378-Q382 WeakPolarHBondContact O-CG 3.2Å; R378-Q382 PolarHBondContact O-NE2 3.19Å; R378-Q382 PolarHBondContact O-OE1 3.25Å; W379-Q382 PolarHBondContact O-N 3.21Å; A380-Q382 VanDerWaalsContact C-N 3.31Å; A380-Q382 PolarHBondContact O-N 2.77Å
383	Q	97.9	Very high	97.6	Very high	26 Å²	26	61.1 Å²	61.1	12%	0.121	33%	0.329	C	S	.	.	S	Bend	trans	-135	159.3	176.2	54	170	53.3	0	0	110.4	A327 V330 W379 Q385 V387	A327-Q383 HydrophobicContact CB-CB 4.12Å; A327-Q383 HydrophobicContact CB-CG 4.16Å; V330-Q383 PolarHBondContact O-NE2 3.02Å; W379-Q383 WeakPolarHBondContact O-CG 3.38Å; Q383-Q385 PolarHBondContact NE2-O 2.84Å; Q383-V387 HydrophobicContact CG-CG2 4.21Å
384	K	97.6	Very high	97.6	Very high	207 Å²	207	63.4 Å²	63.4	90%	0.9	35%	0.353	S	S	*	.	S	Bend	trans	-72.8	-34.3	178.5	-65.7	-178	-179.9	178.9	0	111.9
385	Q	98.1	Very high	97.5	Very high	44 Å²	44	62.8 Å²	62.8	21%	0.206	35%	0.349	C	S	.	.	S	Bend	trans	-76.6	145.3	-175.8	-59.6	81.7	-4.6	0	0	110.3	Q217 D221 G329 Q383	Q217-Q385 VanDerWaalsContact NE2-NE2 3.19Å; D221-Q385 PolarHBondContact OD1-NE2 3.07Å; G329-Q385 VanDerWaalsContact O-CD 3.23Å; G329-Q385 PolarHBondContact O-NE2 3.4Å; G329-Q385 VanDerWaalsContact O-NE2 3.09Å; G329-Q385 PolarHBondContact O-OE1 2.99Å; Q383-Q385 PolarHBondContact NE2-O 2.84Å
386	P	97.9	Very high	97.5	Very high	80 Å²	80	64.6 Å²	64.6	52%	0.519	36%	0.358	S	S	.	.			trans	-67.8	151.4	-174	29	-36.4	0	0	0	112.3	A331 V332 M388	A331-P386 WeakPolarHBondContact CA-O 3.23Å; A331-P386 HydrophobicContact CB-CG 4.09Å; V332-P386 PolarHBondContact N-O 2.98Å; P386-M388 HydrophobicContact CB-CE 3.52Å; P386-M388 HydrophobicContact CB-SD 4.31Å; P386-M388 HydrophobicContact CG-CE 3.73Å; P386-M388 VanDerWaalsContact O-CE 3.28Å; P386-M388 WeakPolarHBondContact O-CE 3.45Å
387	V	98.6	Very high	97.5	Very high	26 Å²	26	65 Å²	65	16%	0.158	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	114.4	174.9	-176.9	0	0	0	0	108.3	V332 C376 W379 Q383 L389	V332-V387 HydrophobicContact CB-CG1 4.34Å; V332-V387 HydrophobicContact CB-CG2 4.5Å; V332-V387 HydrophobicContact CG1-CG1 4.48Å; V332-V387 WeakPolarHBondContact O-CA 3.43Å; C376-V387 WeakPolarHBondContact O-CG1 3.3Å; W379-V387 HydrophobicContact CB-CG2 3.83Å; Q383-V387 HydrophobicContact CG-CG2 4.21Å; V387-L389 HydrophobicContact CG1-CD1 4.12Å
388	M	98.3	Very high	97.5	Very high	58 Å²	58	62.8 Å²	62.8	29%	0.286	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.7	-177.5	-72.3	122.3	-63.7	0	0	109.4	V332 H333 C334 P386	V332-M388 VanDerWaalsContact O-CE 3.26Å; V332-M388 WeakPolarHBondContact O-CE 3.46Å; V332-M388 PolarHBondContact O-N 2.99Å; H333-M388 CarbonylContact C-O 3.35Å; H333-M388 WeakPolarHBondContact CA-O 3.42Å; H333-M388 PolarHBondContact CE1-SD 2.6Å; C334-M388 PolarHBondContact N-O 2.52Å; P386-M388 HydrophobicContact CB-CE 3.52Å; P386-M388 HydrophobicContact CB-SD 4.31Å; P386-M388 HydrophobicContact CG-CE 3.73Å; P386-M388 VanDerWaalsContact O-CE 3.28Å; P386-M388 WeakPolarHBondContact O-CE 3.45Å
389	L	98.5	Very high	97.5	Very high	68 Å²	68	64.3 Å²	64.3	36%	0.356	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	134.2	175.5	-80	82.1	0	0	0	108.9	C334 Y336 K377 V387	C334-L389 HydrophobicContact CB-CG 4.45Å; C334-L389 WeakPolarHBondContact O-CA 3.22Å; Y336-L389 HydrophobicContact CE1-CB 4.09Å; Y336-L389 HydrophobicContact CE1-CD2 3.99Å; Y336-L389 HydrophobicContact CE1-CG 4.29Å; K377-L389 HydrophobicContact CB-CD1 4.21Å; K377-L389 HydrophobicContact CB-CD2 3.79Å; V387-L389 HydrophobicContact CG1-CD1 4.12Å
390	K	98.3	Very high	97.4	Very high	73 Å²	73	64.3 Å²	64.3	32%	0.317	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	107.1	177.5	173.9	63.1	178.2	178.1	0	109.3	C334 L335 Y336 L392 Y409	C334-K390 PolarHBondContact O-N 3.36Å; L335-K390 VanDerWaalsContact CA-O 3.28Å; L335-K390 WeakPolarHBondContact CA-O 3.48Å; L335-K390 HydrophobicContact CD1-CB 4.31Å; L335-K390 HydrophobicContact CG-CB 3.94Å; L335-K390 HydrophobicContact CG-CG 4.05Å; Y336-K390 PolarHBondContact N-O 2.82Å; Y336-K390 VanDerWaalsContact N-O 3.14Å; K390-L392 HydrophobicContact CG-CD2 4.25Å; K390-Y409 HydrophobicContact CB-CD2 4.39Å; K390-Y409 HydrophobicContact CB-CE2 3.86Å; K390-Y409 HydrophobicContact CD-CD2 4.02Å; K390-Y409 HydrophobicContact CD-CE2 3.98Å; K390-Y409 HydrophobicContact CG-CD2 3.79Å; K390-Y409 HydrophobicContact CG-CE2 3.73Å; K390-Y409 HydrophobicContact CG-CG 4.37Å
391	E	98.4	Very high	97.6	Very high	86 Å²	86	61.3 Å²	61.3	40%	0.402	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	141.9	171.9	-168.5	173.1	140	0	0	110.6	Y336 N338 P393	Y336-E391 HydrophobicContact CE2-CB 3.98Å; Y336-E391 HydrophobicContact CE2-CG 3.87Å; N338-E391 VanDerWaalsContact ND2-CD 3.3Å; N338-E391 PolarHBondContact ND2-OE1 3.35Å; N338-E391 VanDerWaalsContact OD1-CG 3.3Å; N338-E391 WeakPolarHBondContact OD1-CG 3.47Å; N338-E391 PolarHBondContact OD1-OE1 2.89Å; E391-P393 HydrophobicContact CG-CG 4.27Å
392	L	98.3	Very high	97.7	Very high	4 Å²	4	60 Å²	60	2%	0.021	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	82.3	177	-59.9	174.9	0	0	0	109.4	L335 Y336 G337 N338 K390 G394 N395 T405	L335-L392 HydrophobicContact CB-CD1 3.97Å; L335-L392 HydrophobicContact CD2-CD1 4.29Å; Y336-L392 PolarHBondContact O-N 3.25Å; G337-L392 WeakPolarHBondContact CA-O 3.2Å; N338-L392 PolarHBondContact N-O 3.49Å; K390-L392 HydrophobicContact CG-CD2 4.25Å; L392-G394 PolarHBondContact O-N 2.87Å; L392-N395 HydrophobicContact CB-CB 3.7Å; L392-N395 VanDerWaalsContact O-CB 3.29Å; L392-N395 WeakPolarHBondContact O-CB 3.48Å; L392-N395 PolarHBondContact O-N 3.15Å; L392-T405 HydrophobicContact CD2-CG2 4.04Å
393	P	98.1	Very high	97.7	Very high	100 Å²	100	56.3 Å²	56.3	65%	0.649	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.1	130.1	-177	-24.4	35.1	0	0	0	113.3	N338 E391 N395	N338-P393 VanDerWaalsContact OD1-CA 3.22Å; N338-P393 WeakPolarHBondContact OD1-CA 3.39Å; E391-P393 HydrophobicContact CG-CG 4.27Å; P393-N395 PolarHBondContact O-N 3.09Å
394	G	97.6	Very high	97.7	Very high	49 Å²	49	60.2 Å²	60.2	51%	0.505	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	17.8	178.6	0	0	0	0	0	114.4	N338 L392	N338-G394 PolarHBondContact O-N 3.27Å; L392-G394 PolarHBondContact O-N 2.87Å
395	N	97.3	Very high	97.7	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.016	30%	0.302	C	S	.	.			trans	-95.8	115.6	-179.5	-150.4	2.3	0	0	0	110.1	L392 P393 M400 N403 T406	L392-N395 HydrophobicContact CB-CB 3.7Å; L392-N395 VanDerWaalsContact O-CB 3.29Å; L392-N395 WeakPolarHBondContact O-CB 3.48Å; L392-N395 PolarHBondContact O-N 3.15Å; P393-N395 PolarHBondContact O-N 3.09Å; N395-M400 VanDerWaalsContact OD1-CA 3.32Å; N395-M400 WeakPolarHBondContact OD1-CA 3.44Å; N395-M400 PolarHBondContact OD1-N 3.2Å; N395-N403 VanDerWaalsContact ND2-CB 3.33Å; N395-N403 WeakPolarHBondContact ND2-CB 3.2Å; N395-N403 VanDerWaalsContact ND2-CG 3.26Å; N395-N403 PolarHBondContact ND2-ND2 3.07Å; N395-N403 WeakPolarHBondContact OD1-CB 3.46Å; N395-N403 PolarHBondContact OD1-ND2 3.41Å; N395-T406 PolarHBondContact ND2-OG1 3.38Å
396	E	97.8	Very high	97.7	Very high	50 Å²	50	51 Å²	51	23%	0.234	29%	0.292	C	S	.	.			trans	-72.6	154.4	-179.4	-167.8	-74.6	144	0	0	111.5	I340 D365 V398 E399 M400	I340-E396 HydrophobicContact CD1-CB 4.47Å; D365-E396 CarbonylContact O-C 3.38Å; D365-E396 WeakPolarHBondContact O-CA 3.49Å; E396-V398 PolarHBondContact O-N 2.92Å; E396-V398 PolarHBondContact OE2-N 3.29Å; E396-E399 HydrophobicContact CB-CB 4.05Å; E396-E399 HydrophobicContact CB-CG 4.08Å; E396-E399 PolarHBondContact O-N 3.5Å; E396-E399 PolarHBondContact OE2-N 3.25Å; E396-E399 VanDerWaalsContact OE2-N 3.11Å; E396-M400 WeakPolarHBondContact O-CB 3.25Å; E396-M400 PolarHBondContact O-N 3.29Å
397	H	98	Very high	97.7	Very high	10 Å²	10	48 Å²	48	5%	0.046	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-48.3	-172.7	-167.5	59.9	0	0	0	114.9	H201 S202 D365 V368 M400	H201-H397 AromaticContact CE1-NE2 3.95Å; H201-H397 AromaticContact NE2-CE1 3.95Å; H201-H397 PolarHBondContact NE2-O 3.48Å; S202-H397 WeakPolarHBondContact CB-NE2 3.46Å; S202-H397 PolarHBondContact OG-CE1 3.21Å; S202-H397 PolarHBondContact OG-NE2 3.07Å; D365-H397 HydrophobicContact CB-CB 4.39Å; D365-H397 PolarHBondContact O-N 3.06Å; D365-H397 IonicContact OD1-CG 2.79Å; D365-H397 IonicContact OD1-ND1 3.37Å; D365-H397 PolarHBondContact OD1-ND1 2.91Å; D365-H397 IonicContact OD2-CE1 2.96Å; D365-H397 IonicContact OD2-CG 2.8Å; D365-H397 IonicContact OD2-ND1 3.31Å; D365-H397 PolarHBondContact OD2-ND1 3.16Å; V368-H397 WeakPolarHBondContact CG2-CE1 3.49Å; H397-M400 VanDerWaalsContact O-CE 3.25Å; H397-M400 WeakPolarHBondContact O-CE 3.18Å; H397-M400 WeakPolarHBondContact O-CG 3.42Å
398	V	96.3	Very high	97.7	Very high	66 Å²	66	52.5 Å²	52.5	40%	0.4	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-38.4	178.7	-179.8	0	0	0	0	110.9	Y141 E396 M400 L401	Y141-V398 HydrophobicContact CD2-CG1 4.13Å; Y141-V398 HydrophobicContact CE2-CG1 4.4Å; E396-V398 PolarHBondContact O-N 2.92Å; E396-V398 PolarHBondContact OE2-N 3.29Å; V398-M400 PolarHBondContact O-N 3.28Å; V398-M400 VanDerWaalsContact O-N 3.08Å; V398-L401 WeakPolarHBondContact O-CB 3.39Å; V398-L401 PolarHBondContact O-N 2.95Å; V398-L401 VanDerWaalsContact O-N 3.08Å
399	E	96	Very high	97.7	Very high	129 Å²	129	51.7 Å²	51.7	60%	0.603	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-59.1	-24.3	180	-64.4	-175.5	168.2	0	0	112.8	E396 L401 A402 N403	E396-E399 HydrophobicContact CB-CB 4.05Å; E396-E399 HydrophobicContact CB-CG 4.08Å; E396-E399 PolarHBondContact O-N 3.5Å; E396-E399 PolarHBondContact OE2-N 3.25Å; E396-E399 VanDerWaalsContact OE2-N 3.11Å; E399-L401 PolarHBondContact O-N 3.01Å; E399-L401 VanDerWaalsContact O-N 3.08Å; E399-A402 PolarHBondContact O-N 2.97Å; E399-N403 PolarHBondContact O-N 3.28Å
400	M	97.6	Very high	97.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-58	-25.2	176.6	80	173.2	75.9	0	0	113.7	L230 G231 D365 N395 E396 H397 V398 A402 T406	L230-M400 HydrophobicContact CB-SD 3.92Å; G231-M400 PolarHBondContact N-SD 3.45Å; G231-M400 VanDerWaalsContact N-SD 3.4Å; D365-M400 HydrophobicContact CB-CE 4.35Å; D365-M400 WeakPolarHBondContact OD2-CE 3.47Å; N395-M400 VanDerWaalsContact OD1-CA 3.32Å; N395-M400 WeakPolarHBondContact OD1-CA 3.44Å; N395-M400 PolarHBondContact OD1-N 3.2Å; E396-M400 WeakPolarHBondContact O-CB 3.25Å; E396-M400 PolarHBondContact O-N 3.29Å; H397-M400 VanDerWaalsContact O-CE 3.25Å; H397-M400 WeakPolarHBondContact O-CE 3.18Å; H397-M400 WeakPolarHBondContact O-CG 3.42Å; V398-M400 PolarHBondContact O-N 3.28Å; V398-M400 VanDerWaalsContact O-N 3.08Å; M400-A402 VanDerWaalsContact C-N 3.29Å; M400-T406 WeakPolarHBondContact O-CB 3.39Å; M400-T406 VanDerWaalsContact O-CG2 3.3Å; M400-T406 WeakPolarHBondContact O-CG2 3.46Å; M400-T406 PolarHBondContact O-OG1 3.36Å
401	L	97.8	Very high	97.7	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-71.4	-24.2	176.5	-58.6	-177.6	0	0	0	112.7	Y141 F142 I145 H201 L230 V398 E399	Y141-L401 HydrophobicContact CD2-CD1 3.46Å; Y141-L401 VanDerWaalsContact CD2-CD1 3.46Å; Y141-L401 HydrophobicContact CE1-CD1 4.48Å; Y141-L401 HydrophobicContact CE2-CD1 3.4Å; Y141-L401 VanDerWaalsContact CE2-CD1 3.4Å; Y141-L401 HydrophobicContact CG-CD1 4.09Å; F142-L401 HydrophobicContact CD2-CD1 4.41Å; F142-L401 HydrophobicContact CE2-CD1 4.35Å; F142-L401 HydrophobicContact CZ-CD2 4.48Å; I145-L401 HydrophobicContact CD1-CB 4.19Å; I145-L401 HydrophobicContact CD1-CD2 3.71Å; I145-L401 HydrophobicContact CG1-CB 4.47Å; I145-L401 WeakPolarHBondContact CG1-O 3.31Å; H201-L401 HydrophobicContact CB-CD2 4.02Å; L230-L401 HydrophobicContact CD1-CD2 3.6Å; V398-L401 WeakPolarHBondContact O-CB 3.39Å; V398-L401 PolarHBondContact O-N 2.95Å; V398-L401 VanDerWaalsContact O-N 3.08Å; E399-L401 PolarHBondContact O-N 3.01Å; E399-L401 VanDerWaalsContact O-N 3.08Å
402	A	96.4	Very high	97.7	Very high	55 Å²	55	48.3 Å²	48.3	46%	0.455	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-8.4	177.2	0	0	0	0	0	113.3	T144 E399 M400 I404	T144-A402 HydrophobicContact CG2-CB 4.04Å; E399-A402 PolarHBondContact O-N 2.97Å; M400-A402 VanDerWaalsContact C-N 3.29Å; A402-I404 PolarHBondContact O-N 2.52Å
403	N	97.4	Very high	97.6	Very high	46 Å²	46	48.6 Å²	48.6	25%	0.246	28%	0.276	C	S	.	.			trans	-67.2	130.6	-176.6	-170.8	-71.5	0	0	0	112.3	N395 E399 T405 T406 L407	N395-N403 VanDerWaalsContact ND2-CB 3.33Å; N395-N403 WeakPolarHBondContact ND2-CB 3.2Å; N395-N403 VanDerWaalsContact ND2-CG 3.26Å; N395-N403 PolarHBondContact ND2-ND2 3.07Å; N395-N403 WeakPolarHBondContact OD1-CB 3.46Å; N395-N403 PolarHBondContact OD1-ND2 3.41Å; E399-N403 PolarHBondContact O-N 3.28Å; N403-T405 VanDerWaalsContact C-N 3.27Å; N403-T405 PolarHBondContact O-N 2.96Å; N403-T405 WeakPolarHBondContact OD1-CA 3.19Å; N403-T405 WeakPolarHBondContact OD1-CB 3.18Å; N403-T405 PolarHBondContact OD1-N 2.82Å; N403-T405 PolarHBondContact OD1-OG1 2.98Å; N403-T406 WeakPolarHBondContact O-CB 3.42Å; N403-T406 PolarHBondContact O-N 3.09Å; N403-L407 WeakPolarHBondContact O-CG 3.42Å; N403-L407 PolarHBondContact O-N 3.17Å
404	I	97.3	Very high	97.6	Very high	108 Å²	108	44 Å²	44	55%	0.554	25%	0.246	S	C	*	.	H	α-helix	trans	-57.1	-38.5	-179	-166.6	69.4	0	0	0	112.8	A402 T406 L407 E408	A402-I404 PolarHBondContact O-N 2.52Å; I404-T406 VanDerWaalsContact C-N 3.33Å; I404-T406 PolarHBondContact O-N 2.9Å; I404-L407 PolarHBondContact O-N 3.01Å; I404-E408 HydrophobicContact CG1-CG 4.4Å; I404-E408 WeakPolarHBondContact O-CB 3.46Å; I404-E408 WeakPolarHBondContact O-CG 3.36Å; I404-E408 PolarHBondContact O-N 2.66Å
405	T	97.5	Very high	97.4	Very high	59 Å²	59	46 Å²	46	36%	0.362	24%	0.241	S	C	.	.	H	α-helix	trans	-65.7	-38.4	179.5	-46.9	0	0	0	0	110.9	L392 N403 Y409	L392-T405 HydrophobicContact CD2-CG2 4.04Å; N403-T405 VanDerWaalsContact C-N 3.27Å; N403-T405 PolarHBondContact O-N 2.96Å; N403-T405 WeakPolarHBondContact OD1-CA 3.19Å; N403-T405 WeakPolarHBondContact OD1-CB 3.18Å; N403-T405 PolarHBondContact OD1-N 2.82Å; N403-T405 PolarHBondContact OD1-OG1 2.98Å; T405-Y409 WeakPolarHBondContact O-CB 3.36Å; T405-Y409 PolarHBondContact O-N 2.68Å
406	T	98.4	Very high	96.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.5	-47.4	174.7	-53	0	0	0	0	110.3	L230 L335 N395 M400 N403 I404 Y409 I410	L230-T406 HydrophobicContact CD1-CG2 4.4Å; L230-T406 HydrophobicContact CD2-CG2 3.91Å; L335-T406 HydrophobicContact CD2-CG2 4.1Å; N395-T406 PolarHBondContact ND2-OG1 3.38Å; M400-T406 WeakPolarHBondContact O-CB 3.39Å; M400-T406 VanDerWaalsContact O-CG2 3.3Å; M400-T406 WeakPolarHBondContact O-CG2 3.46Å; M400-T406 PolarHBondContact O-OG1 3.36Å; N403-T406 WeakPolarHBondContact O-CB 3.42Å; N403-T406 PolarHBondContact O-N 3.09Å; I404-T406 VanDerWaalsContact C-N 3.33Å; I404-T406 PolarHBondContact O-N 2.9Å; T406-Y409 PolarHBondContact O-N 2.91Å; T406-I410 HydrophobicContact CG2-CD1 3.93Å; T406-I410 HydrophobicContact CG2-CG1 4.49Å; T406-I410 WeakPolarHBondContact O-CG1 3.48Å; T406-I410 PolarHBondContact O-N 2.94Å
407	L	98.5	Very high	95	Very high	16 Å²	16	55.9 Å²	55.9	8%	0.084	31%	0.311	C	S	.	.	H	α-helix	trans	-63.1	-44.8	-179.5	-63	174.5	0	0	0	112	T144 I145 A148 W152 N403 I404 Y409 I410 K411	T144-L407 HydrophobicContact CG2-CD1 3.98Å; I145-L407 HydrophobicContact CB-CD2 4.44Å; I145-L407 HydrophobicContact CG1-CD2 3.93Å; A148-L407 HydrophobicContact CB-CD1 4.36Å; A148-L407 HydrophobicContact CB-CD2 4.11Å; W152-L407 HydrophobicContact CH2-CB 4.39Å; W152-L407 VanDerWaalsContact CH2-O 3.3Å; W152-L407 WeakPolarHBondContact CH2-O 3.42Å; W152-L407 HydrophobicContact CZ2-CB 4.36Å; N403-L407 WeakPolarHBondContact O-CG 3.42Å; N403-L407 PolarHBondContact O-N 3.17Å; I404-L407 PolarHBondContact O-N 3.01Å; L407-Y409 VanDerWaalsContact C-N 3.33Å; L407-Y409 PolarHBondContact O-N 3.23Å; L407-I410 PolarHBondContact O-N 2.79Å; L407-K411 WeakPolarHBondContact O-CB 3.4Å; L407-K411 PolarHBondContact O-N 3.4Å
408	E	98.2	Very high	94.9	Very high	121 Å²	121	58.2 Å²	58.2	57%	0.565	32%	0.324	S	S	*	.	H	α-helix	trans	-61.5	-41.5	175.8	-75.1	179.1	170	0	0	111.7	I404 K411 S412	I404-E408 HydrophobicContact CG1-CG 4.4Å; I404-E408 WeakPolarHBondContact O-CB 3.46Å; I404-E408 WeakPolarHBondContact O-CG 3.36Å; I404-E408 PolarHBondContact O-N 2.66Å; E408-K411 PolarHBondContact O-N 3.21Å; E408-S412 PolarHBondContact O-N 2.95Å
409	Y	98.6	Very high	94.8	Very high	41 Å²	41	57.7 Å²	57.7	16%	0.161	32%	0.32	C	S	.	.	H	α-helix	trans	-64.8	-48.2	176.3	-170.4	-82.1	0	0	0	111.3	H333 L335 K390 T405 T406 L407 K411 S412 V413	H333-Y409 HydrophobicContact CB-CE1 3.85Å; H333-Y409 AromaticContact ND1-CE1 3.73Å; H333-Y409 AromaticContact ND1-CZ 3.67Å; H333-Y409 PolarHBondContact ND1-OH 3.27Å; L335-Y409 HydrophobicContact CD1-CD1 3.85Å; L335-Y409 HydrophobicContact CD1-CE1 3.58Å; L335-Y409 HydrophobicContact CD2-CD1 3.79Å; L335-Y409 HydrophobicContact CD2-CE1 4.37Å; L335-Y409 HydrophobicContact CD2-CG 4.15Å; L335-Y409 HydrophobicContact CG-CD1 4.22Å; L335-Y409 HydrophobicContact CG-CE1 4.32Å; K390-Y409 HydrophobicContact CB-CD2 4.39Å; K390-Y409 HydrophobicContact CB-CE2 3.86Å; K390-Y409 HydrophobicContact CD-CD2 4.02Å; K390-Y409 HydrophobicContact CD-CE2 3.98Å; K390-Y409 HydrophobicContact CG-CD2 3.79Å; K390-Y409 HydrophobicContact CG-CE2 3.73Å; K390-Y409 HydrophobicContact CG-CG 4.37Å; T405-Y409 WeakPolarHBondContact O-CB 3.36Å; T405-Y409 PolarHBondContact O-N 2.68Å; T406-Y409 PolarHBondContact O-N 2.91Å; L407-Y409 VanDerWaalsContact C-N 3.33Å; L407-Y409 PolarHBondContact O-N 3.23Å; Y409-K411 VanDerWaalsContact C-N 3.3Å; Y409-K411 PolarHBondContact O-N 2.72Å; Y409-S412 WeakPolarHBondContact O-CB 3.31Å; Y409-S412 PolarHBondContact O-N 3.28Å; Y409-S412 VanDerWaalsContact O-N 3.11Å; Y409-S412 PolarHBondContact O-OG 2.86Å; Y409-V413 HydrophobicContact CD1-CG2 3.97Å; Y409-V413 HydrophobicContact CE1-CG2 3.63Å; Y409-V413 WeakPolarHBondContact O-CG2 3.33Å; Y409-V413 PolarHBondContact O-N 3.18Å
410	I	98.6	Very high	94.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-55.4	-48.5	175.7	-70	168.4	0	0	0	109.9	I145 W152 I199 I228 L230 T406 L407 S412 V413 L414	I145-I410 HydrophobicContact CD1-CD1 4.19Å; W152-I410 HydrophobicContact CH2-CG2 4.43Å; W152-I410 HydrophobicContact CZ3-CG2 4.07Å; I199-I410 HydrophobicContact CD1-CG2 3.83Å; I228-I410 HydrophobicContact CD1-CG1 4.49Å; I228-I410 HydrophobicContact CG2-CG1 4.46Å; L230-I410 HydrophobicContact CD1-CD1 4.34Å; T406-I410 HydrophobicContact CG2-CD1 3.93Å; T406-I410 HydrophobicContact CG2-CG1 4.49Å; T406-I410 WeakPolarHBondContact O-CG1 3.48Å; T406-I410 PolarHBondContact O-N 2.94Å; L407-I410 PolarHBondContact O-N 2.79Å; I410-S412 VanDerWaalsContact C-N 3.31Å; I410-S412 PolarHBondContact O-N 2.82Å; I410-V413 PolarHBondContact O-N 3.43Å; I410-V413 VanDerWaalsContact O-N 3.13Å; I410-L414 HydrophobicContact CG2-CD1 3.71Å; I410-L414 HydrophobicContact CG2-CG 4.11Å; I410-L414 WeakPolarHBondContact O-CG 3.28Å; I410-L414 PolarHBondContact O-N 3.27Å
411	K	98.1	Very high	94.5	Very high	94 Å²	94	56.9 Å²	56.9	41%	0.409	32%	0.322	S	S	.	.	H	α-helix	trans	-56.5	-45.7	176.9	-170	178.5	-171.3	170.1	0	111.5	W152 L407 E408 Y409 V413 L414 F415	W152-K411 HydrophobicContact CD2-CB 4.32Å; W152-K411 HydrophobicContact CD2-CD 4.09Å; W152-K411 HydrophobicContact CD2-CG 4Å; W152-K411 HydrophobicContact CE3-CB 4.28Å; W152-K411 HydrophobicContact CE3-CG 4.27Å; W152-K411 HydrophobicContact CG-CD 4.33Å; W152-K411 HydrophobicContact CG-CG 4.48Å; W152-K411 HydrophobicContact CH2-CB 3.8Å; W152-K411 HydrophobicContact CZ2-CB 3.83Å; W152-K411 HydrophobicContact CZ2-CD 4.1Å; W152-K411 HydrophobicContact CZ2-CG 4.23Å; W152-K411 HydrophobicContact CZ3-CB 4.03Å; L407-K411 WeakPolarHBondContact O-CB 3.4Å; L407-K411 PolarHBondContact O-N 3.4Å; E408-K411 PolarHBondContact O-N 3.21Å; Y409-K411 VanDerWaalsContact C-N 3.3Å; Y409-K411 PolarHBondContact O-N 2.72Å; K411-V413 VanDerWaalsContact C-N 3.27Å; K411-V413 PolarHBondContact O-N 2.87Å; K411-L414 PolarHBondContact O-N 3.09Å; K411-F415 HydrophobicContact CG-CD2 3.81Å; K411-F415 HydrophobicContact CG-CE2 4.16Å; K411-F415 WeakPolarHBondContact O-CD2 3.38Å; K411-F415 PolarHBondContact O-N 2.77Å
412	S	97.5	Very high	94.3	Very high	62 Å²	62	60.4 Å²	60.4	43%	0.434	34%	0.342	S	S	.	.	H	α-helix	trans	-59.5	-38.4	178.8	78.4	0	0	0	0	112.5	E408 Y409 I410 S416	E408-S412 PolarHBondContact O-N 2.95Å; Y409-S412 WeakPolarHBondContact O-CB 3.31Å; Y409-S412 PolarHBondContact O-N 3.28Å; Y409-S412 VanDerWaalsContact O-N 3.11Å; Y409-S412 PolarHBondContact O-OG 2.86Å; I410-S412 VanDerWaalsContact C-N 3.31Å; I410-S412 PolarHBondContact O-N 2.82Å; S412-S416 WeakPolarHBondContact O-CB 3.49Å; S412-S416 PolarHBondContact O-N 3.41Å; S412-S416 PolarHBondContact O-OG 2.87Å
413	V	97.2	Very high	94.2	Very high	10 Å²	10	60.7 Å²	60.7	6%	0.061	33%	0.334	C	S	.	.	H	α-helix	trans	-72	-42.5	178.1	176.7	0	0	0	0	111.6	T226 I228 Y409 I410 K411 F415	T226-V413 HydrophobicContact CG2-CG1 3.77Å; I228-V413 HydrophobicContact CD1-CB 4.05Å; I228-V413 HydrophobicContact CD1-CG1 3.83Å; I228-V413 HydrophobicContact CG1-CG1 4.32Å; Y409-V413 HydrophobicContact CD1-CG2 3.97Å; Y409-V413 HydrophobicContact CE1-CG2 3.63Å; Y409-V413 WeakPolarHBondContact O-CG2 3.33Å; Y409-V413 PolarHBondContact O-N 3.18Å; I410-V413 PolarHBondContact O-N 3.43Å; I410-V413 VanDerWaalsContact O-N 3.13Å; K411-V413 VanDerWaalsContact C-N 3.27Å; K411-V413 PolarHBondContact O-N 2.87Å; V413-F415 VanDerWaalsContact C-N 3.33Å; V413-F415 PolarHBondContact O-N 3.2Å
414	L	97.1	Very high	94	Very high	3 Å²	3	61.8 Å²	61.8	2%	0.016	34%	0.34	C	S	.	.	H	α-helix	trans	-68	-32.4	-178.1	-66.9	179	0	0	0	113.2	P42 V44 M149 W152 Y154 V197 I410 K411	P42-L414 VanDerWaalsContact CD-O 3.28Å; P42-L414 WeakPolarHBondContact CD-O 3.37Å; P42-L414 HydrophobicContact CG-CD2 4.16Å; V44-L414 HydrophobicContact CG2-CD1 4.32Å; V44-L414 HydrophobicContact CG2-CD2 3.7Å; M149-L414 HydrophobicContact CE-CD1 4.29Å; W152-L414 HydrophobicContact CE3-CD1 4.34Å; W152-L414 HydrophobicContact CZ3-CD1 4.17Å; Y154-L414 HydrophobicContact CE2-CD1 4.04Å; V197-L414 HydrophobicContact CB-CD2 3.96Å; V197-L414 HydrophobicContact CG1-CD2 3.9Å; V197-L414 HydrophobicContact CG2-CD2 3.88Å; I410-L414 HydrophobicContact CG2-CD1 3.71Å; I410-L414 HydrophobicContact CG2-CG 4.11Å; I410-L414 WeakPolarHBondContact O-CG 3.28Å; I410-L414 PolarHBondContact O-N 3.27Å; K411-L414 PolarHBondContact O-N 3.09Å
415	F	94.4	Very high	93.7	Very high	91 Å²	91	58.2 Å²	58.2	40%	0.399	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	12.7	-177.5	-65.6	-85.5	0	0	0	113.3	R41 W152 Y154 K411 V413	R41-F415 HydrophobicContact CB-CE1 4.24Å; W152-F415 HydrophobicContact CB-CE2 3.84Å; W152-F415 HydrophobicContact CB-CZ 3.82Å; W152-F415 HydrophobicContact CD2-CE2 4.43Å; W152-F415 HydrophobicContact CE3-CE2 4.25Å; W152-F415 HydrophobicContact CG-CE2 4.28Å; Y154-F415 HydrophobicContact CE2-CE2 4.46Å; Y154-F415 HydrophobicContact CE2-CZ 4.3Å; K411-F415 HydrophobicContact CG-CD2 3.81Å; K411-F415 HydrophobicContact CG-CE2 4.16Å; K411-F415 WeakPolarHBondContact O-CD2 3.38Å; K411-F415 PolarHBondContact O-N 2.77Å; V413-F415 VanDerWaalsContact C-N 3.33Å; V413-F415 PolarHBondContact O-N 3.2Å
416	S	84.3	Confident	93.4	Very high	68 Å²	68	58.2 Å²	58.2	48%	0.476	32%	0.321	S	S	.	.			trans	-61.6	137.3	169.9	-76.9	0	0	0	0	110	S412	S412-S416 WeakPolarHBondContact O-CB 3.49Å; S412-S416 PolarHBondContact O-N 3.41Å; S412-S416 PolarHBondContact O-OG 2.87Å
417	P	60.3	Low	93	Very high	192 Å²	192	63.5 Å²	63.5	100%	1.247	35%	0.35	S	S	*	.			trans	-62.1	0	-173.8	23.2	-32	0	0	0	114.4

Retrieved 417 of 417 residues in 241.2 ms (Link to these results)

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