A0A087X7Z2_POEFO Loading...

Arylsulfatase family member J

AlphaFold DB , UniProt , Accession A0A087X7Z2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 565 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	28.7	Very low	238 Å²	238	160.5 Å²	160.5	100%	1.172	83%	0.825	S	S	*	*				0	105.6	0	-158.3	166	111.7	0	0	107.2
2	F	28.9	Very low	28.6	Very low	200 Å²	200	155.5 Å²	155.5	88%	0.877	81%	0.811	S	S	*	*			trans	35.4	109.4	167.7	-77.4	-88.2	0	0	0	122.1
3	L	26.9	Very low	28.7	Very low	150 Å²	150	151.8 Å²	151.8	79%	0.785	80%	0.802	S	S	*	*			trans	5.1	136.3	131.8	-98.7	80.5	0	0	0	117.9
4	T	29.5	Very low	28.7	Very low	130 Å²	130	151 Å²	151	80%	0.798	81%	0.805	S	S	*	*				-176.2	132.3	93.3	19.6	0	0	0	0	113.6
5	F	31	Very low	28.4	Very low	183 Å²	183	156 Å²	156	80%	0.803	81%	0.809	S	S	*	*			trans	-60	147.6	159.2	-101.2	-112.7	0	0	0	111	L7	F5-L7 HydrophobicContact CD1-CD1 4.15Å; F5-L7 HydrophobicContact CD1-CG 4.48Å
6	L	28.2	Very low	28.2	Very low	169 Å²	169	152.2 Å²	152.2	89%	0.885	80%	0.8	S	S	*	*			trans	-135.1	99.3	155.7	-107.3	152.3	0	0	0	110.2
7	L	29.3	Very low	28.3	Very low	121 Å²	121	149.4 Å²	149.4	63%	0.634	79%	0.79	S	S	*	*			trans	-66.7	139.9	164.7	-87.4	137.3	0	0	0	110.1	F5 F9	F5-L7 HydrophobicContact CD1-CD1 4.15Å; F5-L7 HydrophobicContact CD1-CG 4.48Å; L7-F9 PolarHBondContact O-N 3.01Å
8	S	25.2	Very low	28.4	Very low	106 Å²	106	150.4 Å²	150.4	74%	0.741	79%	0.789	S	S	*	*			trans	-44.3	120.7	165	41	0	0	0	0	113.6
9	F	26	Very low	28.5	Very low	184 Å²	184	149.2 Å²	149.2	81%	0.807	78%	0.781	S	S	*	*			trans	-106.1	117.6	159.5	-84.4	-83.1	0	0	0	109.4	L7 V11	L7-F9 PolarHBondContact O-N 3.01Å; F9-V11 PolarHBondContact O-N 3.08Å
10	I	28.3	Very low	28.5	Very low	163 Å²	163	147.2 Å²	147.2	84%	0.836	78%	0.78	S	S	*	*			trans	-69.7	114.6	168.3	-65.9	168	0	0	0	107.2
11	V	28.7	Very low	29.1	Very low	122 Å²	122	150.2 Å²	150.2	74%	0.739	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-93.9	124.7	169	-179.3	0	0	0	0	107.4	F9	F9-V11 PolarHBondContact O-N 3.08Å
12	P	27.2	Very low	29	Very low	100 Å²	100	147.4 Å²	147.4	65%	0.649	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-72.1	146.8	176.7	28.8	-31	0	0	0	110.5	V14	P12-V14 PolarHBondContact O-N 3.44Å
13	P	30.6	Very low	29.1	Very low	108 Å²	108	145.3 Å²	145.3	70%	0.701	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-69.7	134.9	-175.9	27	-31.2	0	0	0	111.4	W15	P13-W15 PolarHBondContact O-N 3.1Å
14	V	27.8	Very low	29.5	Very low	140 Å²	140	148.3 Å²	148.3	85%	0.848	76%	0.764	S	S	*	*			trans	-60.3	115.1	168	178.1	0	0	0	0	108.3	P12 S16	P12-V14 PolarHBondContact O-N 3.44Å; V14-S16 VanDerWaalsContact C-N 3.33Å; V14-S16 PolarHBondContact O-N 3.25Å
15	W	24.4	Very low	29.7	Very low	226 Å²	226	153.9 Å²	153.9	86%	0.856	77%	0.77	S	S	*	*			trans	-71	88.5	173.1	-75.5	79.1	0	0	0	110	P13 V17	P13-W15 PolarHBondContact O-N 3.1Å; W15-V17 HydrophobicContact CB-CG2 4.45Å; W15-V17 HydrophobicContact CE3-CG2 4.38Å; W15-V17 PolarHBondContact O-N 2.74Å
16	S	25.6	Very low	29.8	Very low	95 Å²	95	151 Å²	151	66%	0.664	77%	0.773	S	S	*	*			trans	-76.6	98.1	157.9	-178.6	0	0	0	0	107.7	V14 H18	V14-S16 VanDerWaalsContact C-N 3.33Å; V14-S16 PolarHBondContact O-N 3.25Å; S16-H18 VanDerWaalsContact C-N 3.33Å; S16-H18 PolarHBondContact O-N 3.05Å; S16-H18 VanDerWaalsContact O-N 3.12Å
17	V	30.2	Very low	30	Very low	104 Å²	104	146.5 Å²	146.5	63%	0.63	77%	0.767	S	S	*	*			trans	-84.5	82.9	173.2	-173.6	0	0	0	0	108.3	W15 M19	W15-V17 HydrophobicContact CB-CG2 4.45Å; W15-V17 HydrophobicContact CE3-CG2 4.38Å; W15-V17 PolarHBondContact O-N 2.74Å; V17-M19 HydrophobicContact CG1-CG 4.32Å
18	H	28.9	Very low	30.3	Very low	168 Å²	168	149.2 Å²	149.2	78%	0.778	78%	0.781	S	S	*	*			trans	-81.4	102.2	151.4	-91.8	66.7	0	0	0	107	S16 S20	S16-H18 VanDerWaalsContact C-N 3.33Å; S16-H18 PolarHBondContact O-N 3.05Å; S16-H18 VanDerWaalsContact O-N 3.12Å; H18-S20 PolarHBondContact O-N 2.96Å
19	M	30.2	Very low	30.7	Very low	127 Å²	127	155.3 Å²	155.3	63%	0.626	79%	0.788	S	S	*	*			trans	-74.6	104.3	171.8	-116.5	166.4	74.3	0	0	108.2	V17 W24	V17-M19 HydrophobicContact CG1-CG 4.32Å; M19-W24 HydrophobicContact CE-CH2 4.34Å; M19-W24 HydrophobicContact CE-CZ3 4.44Å
20	S	30.3	Very low	31.2	Very low	109 Å²	109	154.3 Å²	154.3	76%	0.762	79%	0.791	S	S	*	*			trans	-85.8	132.3	174	60.7	0	0	0	0	111.2	H18 E22	H18-S20 PolarHBondContact O-N 2.96Å; S20-E22 PolarHBondContact O-N 2.96Å
21	W	41.2	Very low	31.4	Very low	211 Å²	211	150 Å²	150	80%	0.799	79%	0.787	S	S	*	*			trans	-87.7	20.4	-162.3	-83	74.7	0	0	0	116.2
22	E	31.2	Very low	31.9	Very low	179 Å²	179	148.2 Å²	148.2	84%	0.836	79%	0.793	S	S	*	*			trans	-100.4	-5.7	-165.4	-77.4	-178.4	159	0	0	117.2	S20	S20-E22 PolarHBondContact O-N 2.96Å
23	N	30	Very low	32.4	Very low	156 Å²	156	150.2 Å²	150.2	83%	0.834	80%	0.798	S	S	*	*	S	Bend	trans	-108.4	18.2	-174.4	-80.6	-10.8	0	0	0	116.9
24	W	36	Very low	32.8	Very low	214 Å²	214	154.3 Å²	154.3	81%	0.811	81%	0.808	S	S	*	*			trans	-112.4	52.6	-177.6	-80.3	-35.5	0	0	0	115.3	M19	M19-W24 HydrophobicContact CE-CH2 4.34Å; M19-W24 HydrophobicContact CE-CZ3 4.44Å
25	R	34	Very low	33.3	Very low	247 Å²	247	156.9 Å²	156.9	93%	0.932	81%	0.808	S	S	*	*			trans	-131.8	75.6	164.9	-71.4	-171.8	-178.7	-176.9	1.8	111.8
26	S	32.1	Very low	34	Very low	123 Å²	123	154.2 Å²	154.2	86%	0.86	81%	0.805	S	S	*	*			trans	-164.8	112.6	150.3	52.5	0	0	0	0	109.3
27	G	32	Very low	34.8	Very low	74 Å²	74	155.1 Å²	155.1	76%	0.763	81%	0.809	S	S	*	*			trans	154	39.1	178	0	0	0	0	0	115.2
28	L	36.7	Very low	35.7	Very low	177 Å²	177	154.7 Å²	154.7	93%	0.927	81%	0.808	S	S	*	*			trans	-139	89.9	166.7	-79.9	172	0	0	0	109.1
29	R	33.6	Very low	36.9	Very low	235 Å²	235	148.8 Å²	148.8	89%	0.887	78%	0.784	S	S	*	*			trans	-146.4	125.6	151.7	-80.6	-161.9	171	-179	-4.1	110.8
30	N	36.9	Very low	39.1	Very low	162 Å²	162	148.5 Å²	148.5	87%	0.866	80%	0.795	S	S	*	*			trans	67.1	108.4	151.2	-63.6	-0	0	0	0	119.5
31	G	32	Very low	42.1	Very low	73 Å²	73	145.5 Å²	145.5	75%	0.753	77%	0.769	S	S	*	*			trans	-160.9	106.5	149.2	0	0	0	0	0	106.9	D33	G31-D33 PolarHBondContact O-N 3.32Å
32	G	39	Very low	44.7	Very low	84 Å²	84	135.9 Å²	135.9	87%	0.866	73%	0.733	S	S	*	*			trans	-79.9	109.9	172.4	0	0	0	0	0	108.2
33	D	37.7	Very low	48	Very low	142 Å²	142	127.5 Å²	127.5	76%	0.759	69%	0.694	S	S	*	*			trans	-114.9	137.4	164.2	-84.1	-31.6	0	0	0	108	G31 F35	G31-D33 PolarHBondContact O-N 3.32Å; D33-F35 PolarHBondContact O-N 2.71Å; D33-F35 VanDerWaalsContact O-N 3.08Å
34	E	39.6	Very low	51.2	Low	195 Å²	195	120.1 Å²	120.1	91%	0.911	65%	0.654	S	S	*	*			trans	-52.4	112.1	171.6	-71.6	176	149.3	0	0	108.9	E36	E34-E36 PolarHBondContact O-N 3Å
35	F	37.5	Very low	54.2	Low	193 Å²	193	109.9 Å²	109.9	85%	0.846	62%	0.616	S	S	*	*			trans	-64	106.1	174.8	-87.1	-96.8	0	0	0	108.5	D33	D33-F35 PolarHBondContact O-N 2.71Å; D33-F35 VanDerWaalsContact O-N 3.08Å
36	E	40.5	Very low	57.3	Low	170 Å²	170	98.2 Å²	98.2	79%	0.794	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-51.2	131.8	154.7	-77.4	-167.8	159.9	0	0	107.5	E34	E34-E36 PolarHBondContact O-N 3Å
37	P	41.1	Very low	60.5	Low	115 Å²	115	92.4 Å²	92.4	75%	0.747	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-57.3	131.4	-180	22.5	-30.6	0	0	0	108.1	T39	P37-T39 PolarHBondContact O-N 3.28Å
38	P	49	Very low	63.7	Low	95 Å²	95	88.9 Å²	88.9	62%	0.617	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-52.2	134	179.6	20.2	-31	0	0	0	108.8	S40	P38-S40 PolarHBondContact O-N 3.29Å; P38-S40 VanDerWaalsContact O-N 3.1Å
39	T	55.3	Low	66.7	Low	44 Å²	44	80.4 Å²	80.4	27%	0.27	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-46.7	124.2	176.7	60.6	0	0	0	0	108.5	P37 Q41	P37-T39 PolarHBondContact O-N 3.28Å; T39-Q41 PolarHBondContact O-N 3.08Å
40	S	74.5	Confident	69.7	Low	121 Å²	121	69.2 Å²	69.2	85%	0.846	41%	0.408	S	S	*	.	S	Bend	trans	-61.8	-11	-172.7	62.4	0	0	0	0	114.1	P38	P38-S40 PolarHBondContact O-N 3.29Å; P38-S40 VanDerWaalsContact O-N 3.1Å
41	Q	93.5	Very high	72.7	Confident	46 Å²	46	61.7 Å²	61.7	22%	0.215	37%	0.368	C	S	.	.	S	Bend	trans	-83.3	135	-179.8	-67.5	163.7	-60.7	0	0	110.7	T39 A133 Y135 P225 N286 G355	T39-Q41 PolarHBondContact O-N 3.08Å; Q41-A133 PolarHBondContact NE2-O 3.13Å; Q41-Y135 HydrophobicContact CB-CE2 4.48Å; Q41-P225 HydrophobicContact CB-CB 4.22Å; Q41-P225 HydrophobicContact CB-CG 4.3Å; Q41-N286 PolarHBondContact O-ND2 2.91Å; Q41-G355 PolarHBondContact NE2-O 3.23Å
42	P	97.4	Very high	75.8	Confident	8 Å²	8	58.2 Å²	58.2	5%	0.052	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-77	151.5	177.6	31.8	-34.8	0	0	0	112.1	Y135 N286 V288 L330 L354	P42-Y135 VanDerWaalsContact O-CE1 3.3Å; P42-Y135 WeakPolarHBondContact O-CE1 3.44Å; P42-Y135 PolarHBondContact O-OH 2.81Å; P42-N286 CarbonylContact C-O 3.39Å; P42-N286 WeakPolarHBondContact CA-O 3.42Å; P42-V288 HydrophobicContact CB-CG2 4.06Å; P42-V288 HydrophobicContact CG-CG2 4.31Å; P42-L330 HydrophobicContact CB-CD1 3.6Å; P42-L354 VanDerWaalsContact CD-O 3.25Å; P42-L354 WeakPolarHBondContact CD-O 3.44Å
43	H	98.8	Very high	78.7	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.019	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	145	159.8	-52.4	-74.8	0	0	0	109.5	P221 L226 Y283 N286 T287 V288	H43-P221 PolarHBondContact CE1-O 2.88Å; H43-P221 VanDerWaalsContact CE1-O 3.28Å; H43-P221 PolarHBondContact NE2-O 3Å; H43-L226 CarbonylContact C-O 3.58Å; H43-L226 WeakPolarHBondContact CA-O 3.09Å; H43-L226 PolarHBondContact ND1-N 2.78Å; H43-L226 VanDerWaalsContact ND1-N 3.17Å; H43-Y283 HydrophobicContact CB-CD1 4.46Å; H43-Y283 AromaticContact CD2-CD1 3.65Å; H43-Y283 AromaticContact CE1-CD1 3.81Å; H43-Y283 AromaticContact CE1-CE1 3.91Å; H43-Y283 AromaticContact CG-CD1 3.74Å; H43-Y283 AromaticContact ND1-CD1 3.81Å; H43-Y283 AromaticContact ND1-CE1 3.99Å; H43-Y283 AromaticContact NE2-CD1 3.68Å; H43-N286 PolarHBondContact N-O 2.83Å; H43-T287 HydrophobicContact CB-CG2 4.48Å; H43-T287 CarbonylContact O-C 3.46Å; H43-T287 WeakPolarHBondContact O-CA 3.37Å; H43-V288 PolarHBondContact O-N 3.17Å
44	I	98.9	Very high	81.6	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	120.7	-177.5	-60.7	169.5	0	0	0	108.4	L130 Y135 L226 F227 L228 L351	I44-L130 HydrophobicContact CD1-CD1 4.33Å; I44-L130 HydrophobicContact CD1-CD2 4.07Å; I44-Y135 HydrophobicContact CD1-CE1 3.83Å; I44-Y135 HydrophobicContact CG1-CE1 4.05Å; I44-L226 PolarHBondContact N-O 3Å; I44-F227 HydrophobicContact CB-CD2 3.91Å; I44-F227 HydrophobicContact CG2-CD2 3.67Å; I44-F227 HydrophobicContact CG2-CE2 3.93Å; I44-F227 CarbonylContact O-C 3.56Å; I44-F227 WeakPolarHBondContact O-CA 3.28Å; I44-L228 PolarHBondContact O-N 2.81Å; I44-L351 HydrophobicContact CD1-CB 4.28Å; I44-L351 HydrophobicContact CD1-CD2 4.38Å; I44-L351 HydrophobicContact CG2-CD1 4.2Å; I44-L351 HydrophobicContact CG2-CD2 3.87Å
45	V	98.9	Very high	84.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	107	173.4	-179.4	0	0	0	0	108.4	I47 L228 L274 L278 T287 V288 I289 V290	V45-I47 HydrophobicContact CG1-CD1 4.35Å; V45-I47 HydrophobicContact CG1-CG1 3.93Å; V45-L228 CarbonylContact C-O 3.6Å; V45-L228 WeakPolarHBondContact CA-O 3.41Å; V45-L228 HydrophobicContact CG1-CD2 4.35Å; V45-L228 HydrophobicContact CG2-CB 4.39Å; V45-L274 HydrophobicContact CG1-CD2 4.12Å; V45-L278 HydrophobicContact CG2-CD1 4.48Å; V45-L278 HydrophobicContact CG2-CD2 4.25Å; V45-T287 HydrophobicContact CB-CG2 4.29Å; V45-T287 HydrophobicContact CG2-CG2 3.77Å; V45-V288 PolarHBondContact N-O 2.93Å; V45-I289 HydrophobicContact CB-CG1 4.46Å; V45-I289 WeakPolarHBondContact O-CA 3.39Å; V45-V290 PolarHBondContact O-N 3.12Å
46	F	98.9	Very high	87.2	Confident	1 Å²	1	31.7 Å²	31.7	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	110.3	176.4	-161.4	-69.1	0	0	0	110.1	L48 L95 F227 L228 Y229 L230 V290 W347 L351	F46-L48 HydrophobicContact CD1-CB 4.25Å; F46-L48 HydrophobicContact CE1-CB 4.11Å; F46-L48 HydrophobicContact CE1-CD1 4.01Å; F46-L95 HydrophobicContact CD1-CD2 4.1Å; F46-L95 HydrophobicContact CD2-CD1 4.31Å; F46-L95 HydrophobicContact CE1-CD1 4.2Å; F46-L95 HydrophobicContact CE1-CD2 3.7Å; F46-L95 HydrophobicContact CE2-CD1 3.68Å; F46-L95 HydrophobicContact CZ-CD1 3.62Å; F46-L95 HydrophobicContact CZ-CD2 3.99Å; F46-L95 HydrophobicContact CZ-CG 4.49Å; F46-F227 HydrophobicContact CB-CE2 4.14Å; F46-L228 PolarHBondContact N-O 3.22Å; F46-Y229 HydrophobicContact CB-CD2 4.29Å; F46-Y229 HydrophobicContact CD1-CD2 4.12Å; F46-Y229 HydrophobicContact CD1-CE2 4.17Å; F46-L230 PolarHBondContact O-N 2.92Å; F46-V290 HydrophobicContact CD2-CB 3.77Å; F46-V290 HydrophobicContact CD2-CG1 3.91Å; F46-V290 HydrophobicContact CD2-CG2 4.3Å; F46-V290 HydrophobicContact CE2-CB 3.93Å; F46-V290 HydrophobicContact CE2-CG1 3.52Å; F46-V290 HydrophobicContact CG-CB 4.36Å; F46-V290 HydrophobicContact CZ-CG1 3.94Å; F46-W347 HydrophobicContact CE2-CB 4Å; F46-W347 AromaticContact CE2-CD1 3.64Å; F46-W347 AromaticContact CE2-CD2 3.86Å; F46-W347 HydrophobicContact CE2-CD2 3.86Å; F46-W347 AromaticContact CE2-CG 3.57Å; F46-W347 HydrophobicContact CE2-CG 3.57Å; F46-W347 AromaticContact CE2-NE1 3.96Å; F46-W347 AromaticContact CZ-CD1 3.73Å; F46-W347 HydrophobicContact CZ-CG 4.14Å; F46-W347 AromaticContact CZ-NE1 3.92Å; F46-L351 HydrophobicContact CD2-CD1 3.83Å; F46-L351 HydrophobicContact CE2-CD1 4.37Å
47	I	99	Very high	90	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	112.3	179.4	-52	174.3	0	0	0	108.3	V45 V49 L230 Y232 I271 L274 I289 V290 Y291 S292	V45-I47 HydrophobicContact CG1-CD1 4.35Å; V45-I47 HydrophobicContact CG1-CG1 3.93Å; I47-V49 HydrophobicContact CG2-CG1 4.22Å; I47-L230 WeakPolarHBondContact CA-O 3.26Å; I47-Y232 HydrophobicContact CG2-CD2 3.96Å; I47-Y232 HydrophobicContact CG2-CE2 4Å; I47-I271 HydrophobicContact CD1-CD1 4.15Å; I47-I271 HydrophobicContact CG2-CD1 3.93Å; I47-L274 HydrophobicContact CD1-CD2 3.71Å; I47-L274 HydrophobicContact CG1-CD2 4.27Å; I47-I289 HydrophobicContact CD1-CG2 3.75Å; I47-I289 HydrophobicContact CG1-CG2 4.37Å; I47-V290 PolarHBondContact N-O 3.06Å; I47-Y291 HydrophobicContact CB-CD2 4.02Å; I47-Y291 HydrophobicContact CG2-CD2 3.77Å; I47-Y291 HydrophobicContact CG2-CE2 4Å; I47-S292 PolarHBondContact O-N 3.17Å
48	L	98.9	Very high	92.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.2	176.3	-169.1	74	0	0	0	110.3	F46 R92 L95 Y229 L230 A231 Y232 S292 D294	F46-L48 HydrophobicContact CD1-CB 4.25Å; F46-L48 HydrophobicContact CE1-CB 4.11Å; F46-L48 HydrophobicContact CE1-CD1 4.01Å; L48-R92 HydrophobicContact CD2-CG 3.8Å; L48-L95 HydrophobicContact CD2-CD2 4.24Å; L48-Y229 HydrophobicContact CB-CE2 3.79Å; L48-Y229 HydrophobicContact CD2-CE2 4.13Å; L48-Y229 WeakPolarHBondContact CD2-OH 3.18Å; L48-L230 PolarHBondContact N-O 3.44Å; L48-A231 CarbonylContact O-C 3.15Å; L48-A231 WeakPolarHBondContact O-CA 3.18Å; L48-Y232 PolarHBondContact O-N 3.33Å; L48-S292 CarbonylContact C-O 3.6Å; L48-S292 WeakPolarHBondContact CA-O 3.44Å; L48-D294 HydrophobicContact CD1-CB 4.01Å; L48-D294 HydrophobicContact CD2-CB 3.96Å; L48-D294 HydrophobicContact CG-CB 4.04Å
49	V	98.8	Very high	95	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	147	-178.6	-55.1	0	0	0	0	111.3	I47 Q52 Y232 L267 Y291 S292 T293 D294	I47-V49 HydrophobicContact CG2-CG1 4.22Å; V49-Q52 HydrophobicContact CG2-CB 3.65Å; V49-Q52 HydrophobicContact CG2-CG 4.47Å; V49-Y232 HydrophobicContact CG1-CD2 4.42Å; V49-L267 HydrophobicContact CB-CD2 4.11Å; V49-L267 HydrophobicContact CG1-CD1 4.08Å; V49-L267 HydrophobicContact CG1-CD2 3.74Å; V49-L267 HydrophobicContact CG1-CG 4.45Å; V49-Y291 HydrophobicContact CG1-CE2 3.71Å; V49-Y291 HydrophobicContact CG2-CE1 4.19Å; V49-S292 PolarHBondContact N-O 3.47Å; V49-T293 CarbonylContact O-C 3.56Å; V49-T293 VanDerWaalsContact O-CA 3.29Å; V49-T293 WeakPolarHBondContact O-CA 3.44Å; V49-T293 PolarHBondContact O-OG1 2.82Å; V49-D294 PolarHBondContact O-N 3.45Å
50	D	98.4	Very high	97.1	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-102.5	123.1	-165.6	-160.4	-7.4	0	0	0	110.7	Q52 C88 R92 K142 Q233 A234 V235 H236 D294	D50-Q52 VanDerWaalsContact C-N 3.32Å; D50-Q52 PolarHBondContact O-N 3.41Å; D50-C88 PolarHBondContact OD1-SG 2.73Å; D50-C88 VanDerWaalsContact OD1-SG 3.38Å; D50-R92 IonicContact OD1-NH2 3.24Å; D50-R92 IonicContact OD2-NH2 2.81Å; D50-K142 VanDerWaalsContact CG-NZ 3.35Å; D50-K142 IonicContact OD1-NZ 3.73Å; D50-K142 PolarHBondContact OD1-NZ 3Å; D50-K142 WeakPolarHBondContact OD2-CD 3.32Å; D50-K142 WeakPolarHBondContact OD2-CE 3.31Å; D50-K142 IonicContact OD2-NZ 3Å; D50-K142 PolarHBondContact OD2-NZ 3.08Å; D50-Q233 WeakPolarHBondContact CB-O 3.45Å; D50-A234 PolarHBondContact N-O 3.49Å; D50-A234 CarbonylContact O-C 3.46Å; D50-V235 CarbonylContact O-C 3.54Å; D50-V235 PolarHBondContact O-N 2.96Å; D50-H236 HydrophobicContact CB-CB 3.86Å; D50-H236 VanDerWaalsContact CG-CB 3.44Å; D50-H236 PolarHBondContact O-N 2.79Å; D50-H236 IonicContact OD1-CD2 3.72Å; D50-H236 PolarHBondContact OD1-CD2 2.77Å; D50-H236 VanDerWaalsContact OD1-CD2 3.23Å; D50-H236 IonicContact OD1-CG 3.63Å; D50-H236 WeakPolarHBondContact OD2-CB 3.42Å; D50-H236 IonicContact OD2-CD2 2.66Å; D50-H236 IonicContact OD2-CG 3.52Å; D50-D294 WeakPolarHBondContact CA-OD1 3.49Å
51	D	98.4	Very high	98.1	Very high	4 Å²	4	12.5 Å²	12.5	2%	0.021	7%	0.074	C	C	.	.	S	Bend	trans	58.6	31.5	-179	-65.9	-1.7	0	0	0	115.9	G53 H236 Y260 D294 N295 G297 K312	D51-G53 PolarHBondContact O-N 3.26Å; D51-H236 IonicContact OD1-CD2 3.89Å; D51-H236 IonicContact OD2-CD2 3.61Å; D51-H236 PolarHBondContact OD2-CD2 3.25Å; D51-H236 IonicContact OD2-CG 3.27Å; D51-H236 IonicContact OD2-NE2 2.73Å; D51-Y260 PolarHBondContact O-OH 3.46Å; D51-D294 PolarHBondContact N-OD1 2.87Å; D51-N295 PolarHBondContact OD1-ND2 2.88Å; D51-G297 WeakPolarHBondContact O-CA 3.19Å; D51-K312 VanDerWaalsContact OD1-CD 3.24Å; D51-K312 WeakPolarHBondContact OD1-CD 3.06Å; D51-K312 WeakPolarHBondContact OD1-CE 3.38Å; D51-K312 IonicContact OD1-NZ 2.98Å; D51-K312 PolarHBondContact OD1-NZ 3.05Å; D51-K312 WeakPolarHBondContact OD2-CD 3.42Å; D51-K312 IonicContact OD2-NZ 3.94Å; D51-K312 PolarHBondContact OD2-NZ 3.19Å
52	Q	98.6	Very high	98.2	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.068	C	C	.	.			trans	-79.8	114.8	173.4	-166.6	-176.2	37.5	0	0	110.7	V49 D50 D56 V57 V235 Y260 Y291 T293	V49-Q52 HydrophobicContact CG2-CB 3.65Å; V49-Q52 HydrophobicContact CG2-CG 4.47Å; D50-Q52 VanDerWaalsContact C-N 3.32Å; D50-Q52 PolarHBondContact O-N 3.41Å; Q52-D56 HydrophobicContact CG-CB 3.98Å; Q52-V57 VanDerWaalsContact NE2-CG1 3.29Å; Q52-V235 HydrophobicContact CB-CG2 4.33Å; Q52-Y260 WeakPolarHBondContact CA-OH 3.31Å; Q52-Y291 PolarHBondContact NE2-OH 3.3Å; Q52-Y291 VanDerWaalsContact OE1-CE1 3.28Å; Q52-Y291 PolarHBondContact OE1-OH 3.36Å; Q52-T293 PolarHBondContact N-OG1 3.15Å; Q52-T293 PolarHBondContact O-OG1 2.76Å
53	G	98.3	Very high	98.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.075	C	C	.	.			trans	-75.2	158	-178.3	0	0	0	0	0	114.2	D51 R55 D56 Y260 S304 N305 V323	D51-G53 PolarHBondContact O-N 3.26Å; G53-R55 PolarHBondContact O-N 3.33Å; G53-R55 VanDerWaalsContact O-N 3.11Å; G53-D56 WeakPolarHBondContact CA-OD2 3.26Å; G53-D56 PolarHBondContact N-OD2 3.07Å; G53-D56 VanDerWaalsContact O-CB 3.3Å; G53-D56 WeakPolarHBondContact O-CB 3.33Å; G53-D56 PolarHBondContact O-N 3.28Å; G53-Y260 PolarHBondContact N-OH 3.34Å; G53-S304 CarbonylContact C-O 3.59Å; G53-S304 VanDerWaalsContact CA-O 3.26Å; G53-S304 WeakPolarHBondContact CA-O 3.24Å; G53-N305 WeakPolarHBondContact CA-OD1 3.48Å; G53-V323 VanDerWaalsContact O-CG2 3.31Å; G53-V323 WeakPolarHBondContact O-CG2 3.44Å
54	F	98.4	Very high	98	Very high	19 Å²	19	12.3 Å²	12.3	8%	0.083	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-34.3	-177.8	-165	-97.5	0	0	0	112.9	H60 S304 N305 L308 R321	F54-H60 AromaticContact CD1-ND1 3.83Å; F54-H60 AromaticContact CD2-CE1 3.98Å; F54-H60 AromaticContact CE1-CE1 3.81Å; F54-H60 AromaticContact CE1-ND1 3.71Å; F54-H60 AromaticContact CE2-CE1 3.49Å; F54-H60 VanDerWaalsContact CE2-CE1 3.49Å; F54-H60 WeakPolarHBondContact CE2-CE1 3.49Å; F54-H60 AromaticContact CE2-ND1 3.97Å; F54-H60 AromaticContact CZ-CE1 3.38Å; F54-H60 WeakPolarHBondContact CZ-CE1 3.41Å; F54-H60 AromaticContact CZ-ND1 3.77Å; F54-H60 AromaticContact CZ-NE2 3.83Å; F54-H60 VanDerWaalsContact O-CB 3.26Å; F54-H60 WeakPolarHBondContact O-CB 3.35Å; F54-H60 PolarHBondContact O-ND1 2.83Å; F54-S304 PolarHBondContact N-O 3.17Å; F54-S304 VanDerWaalsContact N-O 3.14Å; F54-N305 HydrophobicContact CB-CB 4.41Å; F54-N305 PolarHBondContact N-OD1 3.18Å; F54-N305 VanDerWaalsContact N-OD1 3.12Å; F54-L308 HydrophobicContact CB-CD1 3.73Å; F54-L308 HydrophobicContact CB-CG 4.38Å; F54-L308 HydrophobicContact CD1-CD1 3.83Å; F54-L308 HydrophobicContact CD1-CG 4.01Å; F54-L308 HydrophobicContact CD2-CD1 3.67Å; F54-L308 HydrophobicContact CE1-CD1 4.37Å; F54-L308 HydrophobicContact CE2-CD1 4.23Å; F54-L308 HydrophobicContact CG-CD1 3.45Å; F54-L308 VanDerWaalsContact CG-CD1 3.45Å; F54-L308 HydrophobicContact CG-CG 4.11Å; F54-R321 HydrophobicContact CD2-CG 4.48Å; F54-R321 HydrophobicContact CE2-CG 4.15Å
55	R	97.6	Very high	97.9	Very high	37 Å²	37	18.1 Å²	18.1	14%	0.14	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	24.3	179.7	-149.1	-177.3	164.9	-87.7	4.2	113.7	G53 G61 S62 E63 S304 W306 P436	G53-R55 PolarHBondContact O-N 3.33Å; G53-R55 VanDerWaalsContact O-N 3.11Å; R55-G61 PolarHBondContact NH2-O 2.67Å; R55-S62 WeakPolarHBondContact O-CB 3.25Å; R55-S62 PolarHBondContact O-OG 3.46Å; R55-E63 IonicContact CZ-OE2 3.28Å; R55-E63 IonicContact NH1-OE2 2.96Å; R55-E63 PolarHBondContact NH1-OE2 3.46Å; R55-S304 PolarHBondContact N-O 3.03Å; R55-W306 WeakPolarHBondContact CB-O 3.23Å; R55-W306 VanDerWaalsContact CD-O 3.26Å; R55-W306 WeakPolarHBondContact CD-O 3.24Å; R55-W306 WeakPolarHBondContact CG-O 3.29Å; R55-P436 VanDerWaalsContact CZ-CG 3.45Å
56	D	98.5	Very high	97.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-102.3	5.8	-176	-61.9	-26.5	0	0	0	113.4	Q52 G53 I64 R257 Y260 G303 S304	Q52-D56 HydrophobicContact CG-CB 3.98Å; G53-D56 WeakPolarHBondContact CA-OD2 3.26Å; G53-D56 PolarHBondContact N-OD2 3.07Å; G53-D56 VanDerWaalsContact O-CB 3.3Å; G53-D56 WeakPolarHBondContact O-CB 3.33Å; G53-D56 PolarHBondContact O-N 3.28Å; D56-I64 HydrophobicContact CB-CD1 4.23Å; D56-R257 IonicContact OD1-CZ 2.79Å; D56-R257 IonicContact OD1-NH1 3.79Å; D56-R257 PolarHBondContact OD1-NH1 3.31Å; D56-R257 IonicContact OD1-NH2 2.91Å; D56-R257 PolarHBondContact OD1-NH2 2.91Å; D56-R257 IonicContact OD2-NH1 3.74Å; D56-Y260 HydrophobicContact CB-CE1 4.02Å; D56-Y260 WeakPolarHBondContact OD2-CE1 3.48Å; D56-Y260 PolarHBondContact OD2-OH 2.85Å; D56-G303 WeakPolarHBondContact OD2-CA 3.33Å; D56-S304 VanDerWaalsContact OD1-CB 3.29Å; D56-S304 WeakPolarHBondContact OD1-CB 3.22Å; D56-S304 PolarHBondContact OD1-N 2.81Å; D56-S304 PolarHBondContact OD2-N 2.9Å
57	V	98.3	Very high	97.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-119.6	146.2	174.1	-67.4	0	0	0	0	111.3	Q52 Y59 H60 S62 L69 V323	Q52-V57 VanDerWaalsContact NE2-CG1 3.29Å; V57-Y59 VanDerWaalsContact C-N 3.32Å; V57-Y59 HydrophobicContact CB-CD1 4.01Å; V57-Y59 HydrophobicContact CB-CE1 3.76Å; V57-Y59 HydrophobicContact CG1-CE1 4.2Å; V57-Y59 HydrophobicContact CG2-CD1 3.98Å; V57-Y59 HydrophobicContact CG2-CD2 4.18Å; V57-Y59 HydrophobicContact CG2-CE1 3.65Å; V57-Y59 HydrophobicContact CG2-CE2 3.86Å; V57-Y59 HydrophobicContact CG2-CG 4.24Å; V57-Y59 PolarHBondContact O-N 2.64Å; V57-H60 HydrophobicContact CG2-CB 3.97Å; V57-H60 PolarHBondContact O-N 2.99Å; V57-H60 VanDerWaalsContact O-N 3.08Å; V57-S62 VanDerWaalsContact C-CB 3.46Å; V57-S62 WeakPolarHBondContact O-CB 3.24Å; V57-S62 PolarHBondContact O-N 3.36Å; V57-L69 HydrophobicContact CG1-CD1 4.24Å; V57-V323 HydrophobicContact CG1-CG1 3.92Å; V57-V323 HydrophobicContact CG2-CG1 4Å; V57-V323 HydrophobicContact CG2-CG2 4.44Å
58	G	98.1	Very high	97.9	Very high	22 Å²	22	22.6 Å²	22.6	23%	0.227	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-60.6	-38.3	-175.5	0	0	0	0	0	112.9	H60 G61 T66 D70	G58-H60 PolarHBondContact O-N 3.3Å; G58-H60 VanDerWaalsContact O-N 3.11Å; G58-G61 WeakPolarHBondContact O-CA 3.16Å; G58-G61 PolarHBondContact O-N 3.31Å; G58-T66 PolarHBondContact N-OG1 3.16Å; G58-D70 WeakPolarHBondContact CA-OD1 3.44Å; G58-D70 WeakPolarHBondContact CA-OD2 3.29Å; G58-D70 PolarHBondContact N-OD1 3Å
59	Y	97.7	Very high	97.9	Very high	40 Å²	40	22.6 Å²	22.6	16%	0.157	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-68.1	-6.9	176.9	68.2	-98.7	0	0	0	115.4	V57 D70 A73 K78 V323 F325	V57-Y59 VanDerWaalsContact C-N 3.32Å; V57-Y59 HydrophobicContact CB-CD1 4.01Å; V57-Y59 HydrophobicContact CB-CE1 3.76Å; V57-Y59 HydrophobicContact CG1-CE1 4.2Å; V57-Y59 HydrophobicContact CG2-CD1 3.98Å; V57-Y59 HydrophobicContact CG2-CD2 4.18Å; V57-Y59 HydrophobicContact CG2-CE1 3.65Å; V57-Y59 HydrophobicContact CG2-CE2 3.86Å; V57-Y59 HydrophobicContact CG2-CG 4.24Å; V57-Y59 PolarHBondContact O-N 2.64Å; Y59-D70 WeakPolarHBondContact CD1-OD1 3.44Å; Y59-D70 PolarHBondContact N-OD1 3.1Å; Y59-A73 HydrophobicContact CD1-CB 3.89Å; Y59-A73 HydrophobicContact CE1-CB 3.78Å; Y59-A73 HydrophobicContact CG-CB 4.49Å; Y59-K78 HydrophobicContact CD2-CD 4.03Å; Y59-K78 HydrophobicContact CE2-CD 4.48Å; Y59-K78 HydrophobicContact CG-CD 4.47Å; Y59-V323 WeakPolarHBondContact OH-CG1 3.46Å; Y59-F325 HydrophobicContact CE1-CD1 4.34Å
60	H	98.2	Very high	97.9	Very high	34 Å²	34	24.7 Å²	24.7	16%	0.157	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-107.1	18.5	166.9	-68.9	169.4	0	0	0	112.7	F54 V57 G58 E80	F54-H60 AromaticContact CD1-ND1 3.83Å; F54-H60 AromaticContact CD2-CE1 3.98Å; F54-H60 AromaticContact CE1-CE1 3.81Å; F54-H60 AromaticContact CE1-ND1 3.71Å; F54-H60 AromaticContact CE2-CE1 3.49Å; F54-H60 VanDerWaalsContact CE2-CE1 3.49Å; F54-H60 WeakPolarHBondContact CE2-CE1 3.49Å; F54-H60 AromaticContact CE2-ND1 3.97Å; F54-H60 AromaticContact CZ-CE1 3.38Å; F54-H60 WeakPolarHBondContact CZ-CE1 3.41Å; F54-H60 AromaticContact CZ-ND1 3.77Å; F54-H60 AromaticContact CZ-NE2 3.83Å; F54-H60 VanDerWaalsContact O-CB 3.26Å; F54-H60 WeakPolarHBondContact O-CB 3.35Å; F54-H60 PolarHBondContact O-ND1 2.83Å; V57-H60 HydrophobicContact CG2-CB 3.97Å; V57-H60 PolarHBondContact O-N 2.99Å; V57-H60 VanDerWaalsContact O-N 3.08Å; G58-H60 PolarHBondContact O-N 3.3Å; G58-H60 VanDerWaalsContact O-N 3.11Å; H60-E80 IonicContact NE2-OE1 2.88Å; H60-E80 IonicContact NE2-OE2 3.67Å
61	G	95.8	Very high	97.9	Very high	46 Å²	46	28.3 Å²	28.3	47%	0.474	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	24	174.9	0	0	0	0	0	114.3	R55 G58	R55-G61 PolarHBondContact NH2-O 2.67Å; G58-G61 WeakPolarHBondContact O-CA 3.16Å; G58-G61 PolarHBondContact O-N 3.31Å
62	S	96.6	Very high	97.9	Very high	14 Å²	14	28.1 Å²	28.1	10%	0.098	15%	0.151	C	C	.	.			trans	-65.8	148.6	175.2	-168.3	0	0	0	0	112.6	R55 V57 I64	R55-S62 WeakPolarHBondContact O-CB 3.25Å; R55-S62 PolarHBondContact O-OG 3.46Å; V57-S62 VanDerWaalsContact C-CB 3.46Å; V57-S62 WeakPolarHBondContact O-CB 3.24Å; V57-S62 PolarHBondContact O-N 3.36Å; S62-I64 VanDerWaalsContact OG-CB 3.32Å; S62-I64 WeakPolarHBondContact OG-CB 3.36Å; S62-I64 WeakPolarHBondContact OG-CG1 3.39Å; S62-I64 PolarHBondContact OG-N 2.84Å
63	E	94.2	Very high	97.9	Very high	40 Å²	40	28.1 Å²	28.1	19%	0.187	15%	0.151	C	C	.	.	S	Bend	trans	-70.5	-21.3	163.1	66.5	-87	-165.6	0	0	112.8	R55 I252 R257 T438	R55-E63 IonicContact CZ-OE2 3.28Å; R55-E63 IonicContact NH1-OE2 2.96Å; R55-E63 PolarHBondContact NH1-OE2 3.46Å; E63-I252 HydrophobicContact CG-CD1 4.16Å; E63-R257 IonicContact OE1-CZ 3.71Å; E63-R257 IonicContact OE1-NE 3.95Å; E63-R257 PolarHBondContact OE1-NE 2.95Å; E63-R257 IonicContact OE1-NH2 3.84Å; E63-R257 PolarHBondContact OE1-NH2 2.7Å; E63-R257 IonicContact OE2-NH2 3.34Å; E63-T438 HydrophobicContact CB-CG2 4.32Å; E63-T438 HydrophobicContact CG-CG2 3.59Å; E63-T438 WeakPolarHBondContact OE1-CG2 3.5Å
64	I	97.6	Very high	98	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	17%	0.172	C	C	.	.	S	Bend	trans	-71.9	132.4	-179.8	-54.9	177	0	0	0	108.2	D56 S62 T66 Y260 A261 V264	D56-I64 HydrophobicContact CB-CD1 4.23Å; S62-I64 VanDerWaalsContact OG-CB 3.32Å; S62-I64 WeakPolarHBondContact OG-CB 3.36Å; S62-I64 WeakPolarHBondContact OG-CG1 3.39Å; S62-I64 PolarHBondContact OG-N 2.84Å; I64-T66 HydrophobicContact CG2-CG2 4.17Å; I64-T66 PolarHBondContact O-N 2.85Å; I64-Y260 HydrophobicContact CD1-CD1 3.98Å; I64-Y260 HydrophobicContact CD1-CE1 4.09Å; I64-A261 HydrophobicContact CD1-CB 4.03Å; I64-A261 HydrophobicContact CG1-CB 3.71Å; I64-A261 HydrophobicContact CG2-CB 4.31Å; I64-V264 HydrophobicContact CD1-CB 4.45Å; I64-V264 HydrophobicContact CD1-CG2 4.18Å; I64-V264 HydrophobicContact CG2-CB 3.79Å; I64-V264 HydrophobicContact CG2-CG1 3.66Å
65	K	97.3	Very high	98	Very high	122 Å²	122	34 Å²	34	53%	0.53	19%	0.188	S	C	.	.			trans	-86.3	107.8	-179.6	-54.8	-56.4	-178.9	-176.6	0	109.9	P67 Y249	K65-P67 WeakPolarHBondContact O-CD 3.43Å; K65-Y249 WeakPolarHBondContact CB-OH 3.34Å; K65-Y249 HydrophobicContact CG-CE1 4.47Å; K65-Y249 PolarHBondContact N-OH 3.37Å
66	T	98.7	Very high	98	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.181	C	C	.	.			trans	-121.7	56.2	176.6	55.7	0	0	0	0	112.1	G58 I64 N68 L69 D70 V264 D268	G58-T66 PolarHBondContact N-OG1 3.16Å; I64-T66 HydrophobicContact CG2-CG2 4.17Å; I64-T66 PolarHBondContact O-N 2.85Å; T66-N68 PolarHBondContact O-N 3.33Å; T66-N68 VanDerWaalsContact O-N 3.17Å; T66-L69 HydrophobicContact CG2-CD1 4.08Å; T66-L69 PolarHBondContact O-N 2.95Å; T66-D70 WeakPolarHBondContact O-CB 3.3Å; T66-D70 PolarHBondContact O-N 3.39Å; T66-D70 PolarHBondContact OG1-OD1 2.69Å; T66-D70 VanDerWaalsContact OG1-OD1 3.07Å; T66-V264 HydrophobicContact CG2-CG1 3.49Å; T66-V264 VanDerWaalsContact CG2-CG1 3.49Å; T66-D268 VanDerWaalsContact CA-OD1 3.23Å; T66-D268 WeakPolarHBondContact CA-OD1 3.08Å; T66-D268 HydrophobicContact CG2-CB 4.5Å
67	P	98.7	Very high	98	Very high	72 Å²	72	32.2 Å²	32.2	47%	0.468	18%	0.181	S	C	.	.	H	α-helix	trans	-59.8	-30.1	-171.6	25.7	-36.3	0	0	0	113.9	K65 R71 D268	K65-P67 WeakPolarHBondContact O-CD 3.43Å; P67-R71 VanDerWaalsContact O-CB 3.28Å; P67-R71 WeakPolarHBondContact O-CB 3.33Å; P67-R71 PolarHBondContact O-N 3.11Å; P67-D268 VanDerWaalsContact CD-OD2 3.25Å; P67-D268 WeakPolarHBondContact CD-OD2 3.38Å
68	N	98.8	Very high	98.1	Very high	24 Å²	24	34 Å²	34	13%	0.128	19%	0.189	C	C	.	.	H	α-helix	trans	-78.4	-44.3	-179.3	-64.9	-73.4	0	0	0	111.7	T66 D70 R71 L72 D268 H272	T66-N68 PolarHBondContact O-N 3.33Å; T66-N68 VanDerWaalsContact O-N 3.17Å; N68-D70 VanDerWaalsContact C-N 3.31Å; N68-D70 PolarHBondContact O-N 3.23Å; N68-R71 PolarHBondContact O-N 2.77Å; N68-L72 WeakPolarHBondContact O-CG 3.5Å; N68-L72 PolarHBondContact O-N 3.07Å; N68-D268 WeakPolarHBondContact CA-OD1 3.47Å; N68-D268 WeakPolarHBondContact CB-OD1 3.14Å; N68-D268 PolarHBondContact N-OD1 3.46Å; N68-D268 PolarHBondContact N-OD2 2.93Å; N68-D268 PolarHBondContact ND2-OD2 3.2Å; N68-H272 HydrophobicContact CB-CB 4.2Å; N68-H272 PolarHBondContact OD1-ND1 3Å
69	L	98.9	Very high	98.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.6	-45	171.5	-63.4	176.2	0	0	0	110.8	V57 T66 R71 L72 A73 D268 I271 Y291 F325	V57-L69 HydrophobicContact CG1-CD1 4.24Å; T66-L69 HydrophobicContact CG2-CD1 4.08Å; T66-L69 PolarHBondContact O-N 2.95Å; L69-R71 VanDerWaalsContact C-N 3.32Å; L69-R71 PolarHBondContact O-N 3.15Å; L69-L72 PolarHBondContact O-N 3.17Å; L69-A73 WeakPolarHBondContact O-CB 3.46Å; L69-A73 PolarHBondContact O-N 3.36Å; L69-D268 WeakPolarHBondContact CG-OD1 3.16Å; L69-D268 PolarHBondContact N-OD1 2.62Å; L69-I271 HydrophobicContact CD2-CB 4.28Å; L69-I271 HydrophobicContact CD2-CG1 3.89Å; L69-I271 HydrophobicContact CD2-CG2 4.13Å; L69-Y291 HydrophobicContact CD1-CE2 4.42Å; L69-Y291 WeakPolarHBondContact CD1-OH 3.27Å; L69-Y291 HydrophobicContact CD2-CD2 3.82Å; L69-Y291 HydrophobicContact CD2-CE1 4.26Å; L69-Y291 HydrophobicContact CD2-CE2 3.41Å; L69-Y291 VanDerWaalsContact CD2-CE2 3.41Å; L69-Y291 HydrophobicContact CD2-CG 4.39Å; L69-F325 HydrophobicContact CB-CE1 4.43Å; L69-F325 HydrophobicContact CD2-CE1 4.1Å; L69-F325 HydrophobicContact CD2-CZ 4.05Å
70	D	98.9	Very high	98.1	Very high	43 Å²	43	32.6 Å²	32.6	23%	0.23	18%	0.178	C	C	.	.	H	α-helix	trans	-60.4	-42.8	179	-66	-16.2	0	0	0	111.3	G58 Y59 T66 N68 A74	G58-D70 WeakPolarHBondContact CA-OD1 3.44Å; G58-D70 WeakPolarHBondContact CA-OD2 3.29Å; G58-D70 PolarHBondContact N-OD1 3Å; Y59-D70 WeakPolarHBondContact CD1-OD1 3.44Å; Y59-D70 PolarHBondContact N-OD1 3.1Å; T66-D70 WeakPolarHBondContact O-CB 3.3Å; T66-D70 PolarHBondContact O-N 3.39Å; T66-D70 PolarHBondContact OG1-OD1 2.69Å; T66-D70 VanDerWaalsContact OG1-OD1 3.07Å; N68-D70 VanDerWaalsContact C-N 3.31Å; N68-D70 PolarHBondContact O-N 3.23Å; D70-A74 WeakPolarHBondContact O-CB 3.44Å; D70-A74 PolarHBondContact O-N 3.38Å
71	R	98.8	Very high	98.1	Very high	76 Å²	76	32.1 Å²	32.1	29%	0.287	18%	0.177	S	C	.	.	H	α-helix	trans	-65.4	-47.3	177	-176.5	179.4	60.7	74.7	-0.2	112.1	P67 N68 L69 A73 A74 Q75	P67-R71 VanDerWaalsContact O-CB 3.28Å; P67-R71 WeakPolarHBondContact O-CB 3.33Å; P67-R71 PolarHBondContact O-N 3.11Å; N68-R71 PolarHBondContact O-N 2.77Å; L69-R71 VanDerWaalsContact C-N 3.32Å; L69-R71 PolarHBondContact O-N 3.15Å; R71-A73 VanDerWaalsContact C-N 3.35Å; R71-A73 PolarHBondContact O-N 3.2Å; R71-A74 PolarHBondContact O-N 3.09Å; R71-Q75 VanDerWaalsContact NH1-OE1 3.17Å; R71-Q75 WeakPolarHBondContact O-CB 3.34Å; R71-Q75 VanDerWaalsContact O-CG 3.32Å; R71-Q75 WeakPolarHBondContact O-CG 3.28Å; R71-Q75 PolarHBondContact O-N 2.9Å
72	L	98.9	Very high	98.2	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-61.7	-45.2	178.8	-70.2	172	0	0	0	111.3	N68 L69 A74 Q75 G76 I271 T275 F325 H327	N68-L72 WeakPolarHBondContact O-CG 3.5Å; N68-L72 PolarHBondContact O-N 3.07Å; L69-L72 PolarHBondContact O-N 3.17Å; L72-A74 VanDerWaalsContact C-N 3.35Å; L72-A74 PolarHBondContact O-N 2.91Å; L72-Q75 PolarHBondContact O-N 2.78Å; L72-G76 PolarHBondContact O-N 3.19Å; L72-I271 HydrophobicContact CD1-CG2 3.57Å; L72-T275 HydrophobicContact CD1-CG2 3.85Å; L72-T275 HydrophobicContact CD2-CG2 3.98Å; L72-T275 HydrophobicContact CG-CG2 4.47Å; L72-F325 HydrophobicContact CB-CD2 4.48Å; L72-F325 HydrophobicContact CB-CE2 3.62Å; L72-F325 HydrophobicContact CB-CZ 3.85Å; L72-F325 HydrophobicContact CD1-CE2 4.32Å; L72-F325 HydrophobicContact CD1-CZ 4.22Å; L72-H327 HydrophobicContact CB-CB 4.4Å; L72-H327 PolarHBondContact O-ND1 3.05Å
73	A	98.8	Very high	98.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64	-38.2	176.9	0	0	0	0	0	112.2	Y59 L69 R71 Q75 G76 K78 F325	Y59-A73 HydrophobicContact CD1-CB 3.89Å; Y59-A73 HydrophobicContact CE1-CB 3.78Å; Y59-A73 HydrophobicContact CG-CB 4.49Å; L69-A73 WeakPolarHBondContact O-CB 3.46Å; L69-A73 PolarHBondContact O-N 3.36Å; R71-A73 VanDerWaalsContact C-N 3.35Å; R71-A73 PolarHBondContact O-N 3.2Å; A73-Q75 VanDerWaalsContact C-N 3.33Å; A73-G76 PolarHBondContact O-N 2.96Å; A73-K78 HydrophobicContact CB-CG 4.02Å; A73-F325 HydrophobicContact CB-CB 4.12Å; A73-F325 HydrophobicContact CB-CD1 3.73Å; A73-F325 HydrophobicContact CB-CD2 4.43Å; A73-F325 HydrophobicContact CB-CE1 4.22Å; A73-F325 HydrophobicContact CB-CG 3.85Å
74	A	98.7	Very high	98.6	Very high	53 Å²	53	27.4 Å²	27.4	44%	0.438	14%	0.141	S	C	.	.	H	α-helix	trans	-71.9	-24.7	176.3	0	0	0	0	0	113.6	D70 R71 L72 G335	D70-A74 WeakPolarHBondContact O-CB 3.44Å; D70-A74 PolarHBondContact O-N 3.38Å; R71-A74 PolarHBondContact O-N 3.09Å; L72-A74 VanDerWaalsContact C-N 3.35Å; L72-A74 PolarHBondContact O-N 2.91Å; A74-G335 WeakPolarHBondContact O-CA 3.19Å
75	Q	98.6	Very high	98.6	Very high	88 Å²	88	27.4 Å²	27.4	41%	0.411	14%	0.141	S	C	.	.	H	α-helix	trans	-93.3	-12.7	176.3	-69.2	174.5	-21.1	0	0	112.7	R71 L72 A73 K334	R71-Q75 VanDerWaalsContact NH1-OE1 3.17Å; R71-Q75 WeakPolarHBondContact O-CB 3.34Å; R71-Q75 VanDerWaalsContact O-CG 3.32Å; R71-Q75 WeakPolarHBondContact O-CG 3.28Å; R71-Q75 PolarHBondContact O-N 2.9Å; L72-Q75 PolarHBondContact O-N 2.78Å; A73-Q75 VanDerWaalsContact C-N 3.33Å; Q75-K334 WeakPolarHBondContact O-CB 3.39Å
76	G	98.7	Very high	98.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-109.8	-140	179.8	0	0	0	0	0	112.7	L72 A73 V326 G335 S336	L72-G76 PolarHBondContact O-N 3.19Å; A73-G76 PolarHBondContact O-N 2.96Å; G76-V326 CarbonylContact C-O 3.45Å; G76-V326 VanDerWaalsContact CA-O 3.23Å; G76-V326 WeakPolarHBondContact CA-O 3.29Å; G76-G335 WeakPolarHBondContact O-CA 3.45Å; G76-G335 PolarHBondContact O-N 2.97Å; G76-S336 PolarHBondContact O-N 3.06Å
77	V	98.9	Very high	98.7	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	118.3	177.7	-178.5	0	0	0	0	109.2	L79 F325 V326 L331 K333 C338 I374	V77-L79 HydrophobicContact CG1-CD2 4.49Å; V77-F325 CarbonylContact O-C 3.55Å; V77-F325 VanDerWaalsContact O-CA 3.22Å; V77-F325 WeakPolarHBondContact O-CA 3.47Å; V77-F325 WeakPolarHBondContact O-CB 3.39Å; V77-V326 PolarHBondContact N-O 2.98Å; V77-V326 PolarHBondContact O-N 3.07Å; V77-L331 HydrophobicContact CG2-CD1 4.06Å; V77-L331 HydrophobicContact CG2-CD2 4.15Å; V77-K333 WeakPolarHBondContact CG2-O 3.42Å; V77-C338 HydrophobicContact CG1-CB 3.61Å; V77-I374 HydrophobicContact CB-CG2 4.17Å; V77-I374 HydrophobicContact CG1-CG2 4.17Å; V77-I374 HydrophobicContact CG2-CG2 4.45Å
78	K	98.8	Very high	98.7	Very high	37 Å²	37	20.4 Å²	20.4	16%	0.161	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	132.6	174.4	-66.6	171.1	-175	174.1	0	110.1	Y59 A73 E80 S336 K337 C338	Y59-K78 HydrophobicContact CD2-CD 4.03Å; Y59-K78 HydrophobicContact CE2-CD 4.48Å; Y59-K78 HydrophobicContact CG-CD 4.47Å; A73-K78 HydrophobicContact CB-CG 4.02Å; K78-E80 HydrophobicContact CB-CG 4.44Å; K78-E80 PolarHBondContact O-N 2.74Å; K78-S336 PolarHBondContact N-O 3.49Å; K78-K337 HydrophobicContact CB-CG 4.31Å; K78-K337 HydrophobicContact CD-CG 4.5Å; K78-K337 CarbonylContact O-C 3.58Å; K78-K337 WeakPolarHBondContact O-CA 3.48Å; K78-C338 PolarHBondContact O-N 2.62Å
79	L	98.8	Very high	98.6	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.021	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	96.8	179.9	-50.2	177.7	0	0	0	109.7	V77 Y82 G324 V326 C338 W347 I374	V77-L79 HydrophobicContact CG1-CD2 4.49Å; L79-Y82 HydrophobicContact CB-CD1 4.49Å; L79-Y82 HydrophobicContact CB-CG 4.12Å; L79-Y82 HydrophobicContact CD1-CD1 4.38Å; L79-Y82 HydrophobicContact CD1-CD2 4.3Å; L79-Y82 HydrophobicContact CD1-CG 4.13Å; L79-G324 PolarHBondContact N-O 2.8Å; L79-V326 HydrophobicContact CD1-CG2 4.46Å; L79-V326 HydrophobicContact CD2-CG2 4.48Å; L79-C338 HydrophobicContact CD2-CB 3.92Å; L79-W347 HydrophobicContact CD1-CH2 3.91Å; L79-W347 HydrophobicContact CD1-CZ2 3.59Å; L79-I374 HydrophobicContact CD2-CD1 4.18Å; L79-I374 HydrophobicContact CD2-CG1 4.12Å; L79-I374 HydrophobicContact CD2-CG2 4.4Å
80	E	97.9	Very high	98.6	Very high	28 Å²	28	19.6 Å²	19.6	13%	0.131	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-14.8	-171.1	-64	-72.2	169.5	0	0	112.9	H60 K78 R321 K337 C338 Q339	H60-E80 IonicContact NE2-OE1 2.88Å; H60-E80 IonicContact NE2-OE2 3.67Å; K78-E80 HydrophobicContact CB-CG 4.44Å; K78-E80 PolarHBondContact O-N 2.74Å; E80-R321 VanDerWaalsContact O-CZ 3.27Å; E80-R321 PolarHBondContact O-NE 2.99Å; E80-R321 VanDerWaalsContact O-NE 3.09Å; E80-R321 PolarHBondContact O-NH2 3.28Å; E80-K337 HydrophobicContact CG-CB 4.04Å; E80-K337 HydrophobicContact CG-CD 4.11Å; E80-K337 HydrophobicContact CG-CG 4.23Å; E80-C338 PolarHBondContact N-O 3.29Å; E80-Q339 HydrophobicContact CB-CG 4.33Å
81	N	97.9	Very high	98.6	Very high	25 Å²	25	17.5 Å²	17.5	13%	0.134	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	47.4	176.5	-166.7	24.2	0	0	0	110.2	Y83 Q339 V342	N81-Y83 WeakPolarHBondContact OD1-CE2 3.34Å; N81-Q339 WeakPolarHBondContact CB-O 3.37Å; N81-Q339 PolarHBondContact ND2-O 3.02Å; N81-V342 PolarHBondContact O-N 3.08Å; N81-V342 VanDerWaalsContact O-N 3.1Å
82	Y	98.8	Very high	98.6	Very high	1 Å²	1	13.9 Å²	13.9	0%	0.004	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136	-174.9	171.4	-120	0	0	0	112.8	L79 V84 S292 R321 G322 V342 W347	L79-Y82 HydrophobicContact CB-CD1 4.49Å; L79-Y82 HydrophobicContact CB-CG 4.12Å; L79-Y82 HydrophobicContact CD1-CD1 4.38Å; L79-Y82 HydrophobicContact CD1-CD2 4.3Å; L79-Y82 HydrophobicContact CD1-CG 4.13Å; Y82-V84 HydrophobicContact CE1-CG1 3.69Å; Y82-V84 HydrophobicContact CE2-CG1 4.45Å; Y82-S292 VanDerWaalsContact CE1-OG 3.28Å; Y82-S292 WeakPolarHBondContact CE1-OG 3.25Å; Y82-S292 PolarHBondContact OH-OG 3.08Å; Y82-R321 WeakPolarHBondContact O-CA 3.37Å; Y82-G322 PolarHBondContact O-N 2.91Å; Y82-V342 CarbonylContact C-O 3.57Å; Y82-V342 VanDerWaalsContact CA-O 3.32Å; Y82-V342 WeakPolarHBondContact CA-O 3.39Å; Y82-V342 HydrophobicContact CD2-CB 4.02Å; Y82-V342 HydrophobicContact CD2-CG1 3.76Å; Y82-V342 HydrophobicContact CE2-CG1 4.23Å; Y82-W347 HydrophobicContact CE2-CZ2 4.33Å; Y82-W347 AromaticContact CE2-NE1 3.55Å; Y82-W347 AromaticContact CZ-NE1 3.59Å; Y82-W347 PolarHBondContact OH-NE1 3.11Å
83	Y	98.9	Very high	98.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	141	-173.6	-69.1	-85.5	0	0	0	113	N81 E317 I320 R321 L341 V342 H343 I344 I385 H387 R417	N81-Y83 WeakPolarHBondContact OD1-CE2 3.34Å; Y83-E317 WeakPolarHBondContact CE1-OE1 3.43Å; Y83-E317 WeakPolarHBondContact CE1-OE2 3.17Å; Y83-E317 PolarHBondContact OH-OE2 2.94Å; Y83-I320 CarbonylContact C-O 3.6Å; Y83-I320 VanDerWaalsContact CA-O 3.31Å; Y83-I320 WeakPolarHBondContact CA-O 3.47Å; Y83-I320 HydrophobicContact CD1-CB 4.45Å; Y83-I320 HydrophobicContact CD1-CD1 4.4Å; Y83-I320 HydrophobicContact CD1-CG1 4.02Å; Y83-I320 HydrophobicContact CE1-CG1 4.27Å; Y83-R321 HydrophobicContact CD1-CB 4.31Å; Y83-R321 HydrophobicContact CE1-CB 3.95Å; Y83-R321 HydrophobicContact CE1-CG 4.28Å; Y83-L341 HydrophobicContact CD2-CD1 3.76Å; Y83-L341 HydrophobicContact CE2-CD1 3.62Å; Y83-V342 PolarHBondContact N-O 3.11Å; Y83-H343 CarbonylContact O-C 3.48Å; Y83-H343 WeakPolarHBondContact O-CA 3.39Å; Y83-H343 PolarHBondContact O-CD2 3.12Å; Y83-H343 VanDerWaalsContact O-CD2 3.29Å; Y83-I344 PolarHBondContact O-N 2.83Å; Y83-I385 HydrophobicContact CD2-CD1 3.61Å; Y83-I385 HydrophobicContact CE2-CD1 4.49Å; Y83-I385 HydrophobicContact CG-CD1 3.96Å; Y83-H387 AromaticContact CD1-CE1 3.53Å; Y83-H387 AromaticContact CG-CE1 3.91Å; Y83-R417 PolarHBondContact OH-NH1 2.95Å
84	V	98.9	Very high	98.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.077	C	C	.	.			trans	-125.9	177.9	172.7	-58.7	0	0	0	0	108.4	Y82 D294 I320 I344	Y82-V84 HydrophobicContact CE1-CG1 3.69Å; Y82-V84 HydrophobicContact CE2-CG1 4.45Å; V84-D294 WeakPolarHBondContact CG2-O 3.23Å; V84-I320 PolarHBondContact N-O 3.26Å; V84-I320 WeakPolarHBondContact O-CB 3.07Å; V84-I344 HydrophobicContact CB-CD1 4.44Å; V84-I344 HydrophobicContact CG1-CB 4.17Å; V84-I344 HydrophobicContact CG1-CD1 4.04Å; V84-I344 HydrophobicContact CG1-CG1 4.44Å
85	Q	98.8	Very high	98.7	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.056	C	C	.	.			trans	-82.6	162.2	172.6	-63.2	-62.6	-34.3	0	0	111.3	L87 P90 S91 Q94 Q101 N295 H343 H387	Q85-L87 PolarHBondContact O-N 3.32Å; Q85-P90 HydrophobicContact CB-CB 3.49Å; Q85-P90 VanDerWaalsContact CB-CB 3.49Å; Q85-P90 HydrophobicContact CG-CB 3.94Å; Q85-S91 WeakPolarHBondContact CA-OG 3.49Å; Q85-S91 WeakPolarHBondContact CB-OG 3.36Å; Q85-S91 PolarHBondContact N-OG 2.93Å; Q85-S91 PolarHBondContact O-OG 3.45Å; Q85-Q94 HydrophobicContact CG-CG 4.28Å; Q85-Q101 VanDerWaalsContact CD-OE1 3.32Å; Q85-N295 WeakPolarHBondContact O-CA 3.13Å; Q85-N295 WeakPolarHBondContact O-CB 2.97Å; Q85-H343 PolarHBondContact NE2-NE2 3.18Å; Q85-H387 VanDerWaalsContact CD-O 3.23Å; Q85-H387 PolarHBondContact NE2-O 3.33Å; Q85-H387 PolarHBondContact OE1-O 3.12Å
86	P	98.3	Very high	98.7	Very high	7 Å²	7	7.2 Å²	7.2	5%	0.045	4%	0.037	C	C	.	.	S	Bend	trans	-78.3	-1.1	-174.7	31.6	-37.3	0	0	0	114.6	N295 A313 T314 Y315 G319 I320	P86-N295 VanDerWaalsContact C-CB 3.46Å; P86-A313 WeakPolarHBondContact O-CA 3.37Å; P86-A313 PolarHBondContact O-N 2.7Å; P86-T314 VanDerWaalsContact CB-O 3.3Å; P86-T314 WeakPolarHBondContact CB-O 3.38Å; P86-Y315 HydrophobicContact CB-CD1 4.4Å; P86-Y315 HydrophobicContact CG-CD1 3.76Å; P86-Y315 HydrophobicContact CG-CE1 3.65Å; P86-G319 WeakPolarHBondContact CA-O 3.46Å; P86-I320 HydrophobicContact CB-CG2 3.81Å; P86-I320 HydrophobicContact CG-CG2 4.2Å
87	L	98.5	Very high	98.7	Very high	37 Å²	37	7.3 Å²	7.3	19%	0.194	4%	0.037	C	C	.	.	S	Bend	trans	-146.7	160.3	-175.3	-73.9	173.6	0	0	0	111.5	Q85 P90 S91 I110 N295 K312 A313	Q85-L87 PolarHBondContact O-N 3.32Å; L87-P90 HydrophobicContact CB-CG 3.93Å; L87-P90 WeakPolarHBondContact O-CB 3.22Å; L87-P90 WeakPolarHBondContact O-CD 3.44Å; L87-S91 PolarHBondContact O-N 2.87Å; L87-I110 HydrophobicContact CB-CG2 3.94Å; L87-I110 HydrophobicContact CD1-CG2 4.26Å; L87-I110 HydrophobicContact CG-CG2 4.5Å; L87-N295 VanDerWaalsContact C-OD1 3.28Å; L87-N295 WeakPolarHBondContact CA-OD1 3.44Å; L87-K312 HydrophobicContact CD2-CG 4.17Å; L87-A313 HydrophobicContact CD2-CB 3.82Å; L87-A313 HydrophobicContact CG-CB 4.28Å
88	C	98.2	Very high	98.6	Very high	3 Å²	3	7.3 Å²	7.3	2%	0.02	4%	0.037	C	C	.	.	H	α-helix	trans	-60.3	-65	-172.2	-47	0	0	0	0	115	D50 S91 R92 K142 H144 D294 N295	D50-C88 PolarHBondContact OD1-SG 2.73Å; D50-C88 VanDerWaalsContact OD1-SG 3.38Å; C88-S91 PolarHBondContact O-N 3.44Å; C88-R92 WeakPolarHBondContact O-CB 3.3Å; C88-R92 VanDerWaalsContact O-CG 3.3Å; C88-R92 WeakPolarHBondContact O-CG 3.42Å; C88-R92 PolarHBondContact O-N 3.13Å; C88-K142 PolarHBondContact SG-NZ 2.73Å; C88-K142 VanDerWaalsContact SG-NZ 3.38Å; C88-H144 VanDerWaalsContact CB-ND1 3.31Å; C88-H144 WeakPolarHBondContact CB-ND1 3.31Å; C88-D294 WeakPolarHBondContact CA-OD2 3.45Å; C88-D294 WeakPolarHBondContact CB-OD2 3.42Å; C88-D294 PolarHBondContact SG-OD2 2.93Å; C88-N295 PolarHBondContact N-OD1 2.82Å
89	S	98.6	Very high	98.6	Very high	3 Å²	3	8.1 Å²	8.1	2%	0.021	4%	0.039	C	C	.	.	H	α-helix	trans	-58.4	-42.1	-177.4	-53.5	0	0	0	0	112.4	R92 S93 I111 H144	S89-R92 PolarHBondContact O-N 3.03Å; S89-S93 VanDerWaalsContact O-CB 3.25Å; S89-S93 WeakPolarHBondContact O-CB 3.43Å; S89-S93 PolarHBondContact O-N 3.18Å; S89-S93 PolarHBondContact O-OG 3.41Å; S89-I111 PolarHBondContact OG-N 3.31Å; S89-H144 WeakPolarHBondContact CB-O 3.49Å; S89-H144 PolarHBondContact OG-CD2 3.43Å; S89-H144 PolarHBondContact OG-CE1 2.76Å; S89-H144 VanDerWaalsContact OG-CE1 3.29Å; S89-H144 PolarHBondContact OG-ND1 2.64Å; S89-H144 PolarHBondContact OG-NE2 3.41Å; S89-H144 PolarHBondContact OG-O 2.76Å
90	P	98.8	Very high	98.6	Very high	4 Å²	4	8.1 Å²	8.1	3%	0.026	4%	0.039	C	C	.	.	H	α-helix	trans	-47.1	-62.6	168.5	-37.7	44.5	0	0	0	113.5	Q85 L87 R92 S93 Q94 Q101 S109	Q85-P90 HydrophobicContact CB-CB 3.49Å; Q85-P90 VanDerWaalsContact CB-CB 3.49Å; Q85-P90 HydrophobicContact CG-CB 3.94Å; L87-P90 HydrophobicContact CB-CG 3.93Å; L87-P90 WeakPolarHBondContact O-CB 3.22Å; L87-P90 WeakPolarHBondContact O-CD 3.44Å; P90-R92 PolarHBondContact O-N 2.7Å; P90-S93 PolarHBondContact O-N 3.35Å; P90-S93 PolarHBondContact O-OG 2.9Å; P90-Q94 VanDerWaalsContact O-CG 3.32Å; P90-Q94 WeakPolarHBondContact O-CG 3.27Å; P90-Q94 PolarHBondContact O-N 2.67Å; P90-Q94 VanDerWaalsContact O-N 3.09Å; P90-Q101 VanDerWaalsContact CB-CD 3.47Å; P90-Q101 HydrophobicContact CB-CG 4.34Å; P90-S109 WeakPolarHBondContact CG-O 3.26Å
91	S	98.9	Very high	98.6	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-60.1	-44.6	-176.8	-75.1	0	0	0	0	112.8	Q85 L87 C88 S93 Q94 L95 D294	Q85-S91 WeakPolarHBondContact CA-OG 3.49Å; Q85-S91 WeakPolarHBondContact CB-OG 3.36Å; Q85-S91 PolarHBondContact N-OG 2.93Å; Q85-S91 PolarHBondContact O-OG 3.45Å; L87-S91 PolarHBondContact O-N 2.87Å; C88-S91 PolarHBondContact O-N 3.44Å; S91-S93 VanDerWaalsContact C-N 3.3Å; S91-S93 PolarHBondContact O-N 3.34Å; S91-Q94 PolarHBondContact O-N 3.29Å; S91-L95 WeakPolarHBondContact O-CB 3.39Å; S91-L95 PolarHBondContact O-N 3.23Å; S91-D294 WeakPolarHBondContact CB-O 3.24Å; S91-D294 PolarHBondContact OG-O 2.73Å
92	R	98.9	Very high	98.7	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-63.6	-37.9	-179.8	-66.5	166	-166.2	-94	-7.8	111.3	L48 D50 C88 S89 P90 M96 K142 L145 D294	L48-R92 HydrophobicContact CD2-CG 3.8Å; D50-R92 IonicContact OD1-NH2 3.24Å; D50-R92 IonicContact OD2-NH2 2.81Å; C88-R92 WeakPolarHBondContact O-CB 3.3Å; C88-R92 VanDerWaalsContact O-CG 3.3Å; C88-R92 WeakPolarHBondContact O-CG 3.42Å; C88-R92 PolarHBondContact O-N 3.13Å; S89-R92 PolarHBondContact O-N 3.03Å; P90-R92 PolarHBondContact O-N 2.7Å; R92-M96 WeakPolarHBondContact O-CB 3.5Å; R92-M96 VanDerWaalsContact O-CG 3.25Å; R92-M96 WeakPolarHBondContact O-CG 3.49Å; R92-M96 PolarHBondContact O-N 2.88Å; R92-K142 PolarHBondContact NH1-O 2.77Å; R92-L145 HydrophobicContact CB-CD1 4.29Å; R92-L145 HydrophobicContact CB-CD2 3.79Å; R92-L145 HydrophobicContact CB-CG 4.13Å; R92-D294 IonicContact CZ-OD2 2.63Å; R92-D294 IonicContact NE-OD2 2.79Å; R92-D294 PolarHBondContact NE-OD2 3.01Å; R92-D294 IonicContact NH2-OD2 3.04Å; R92-D294 PolarHBondContact NH2-OD2 3.43Å
93	S	98.8	Very high	98.6	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-67.1	-40.7	178.7	69.5	0	0	0	0	111.2	S89 P90 S91 M96 T97	S89-S93 VanDerWaalsContact O-CB 3.25Å; S89-S93 WeakPolarHBondContact O-CB 3.43Å; S89-S93 PolarHBondContact O-N 3.18Å; S89-S93 PolarHBondContact O-OG 3.41Å; P90-S93 PolarHBondContact O-N 3.35Å; P90-S93 PolarHBondContact O-OG 2.9Å; S91-S93 VanDerWaalsContact C-N 3.3Å; S91-S93 PolarHBondContact O-N 3.34Å; S93-M96 PolarHBondContact O-N 3.23Å; S93-T97 WeakPolarHBondContact O-CB 3.32Å; S93-T97 WeakPolarHBondContact O-CG2 3.44Å; S93-T97 PolarHBondContact O-N 3.31Å; S93-T97 VanDerWaalsContact O-N 3.12Å; S93-T97 PolarHBondContact O-OG1 3.22Å
94	Q	98.9	Very high	98.6	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-73.2	-35.8	179.7	-62	-156.4	15.1	0	0	112.1	Q85 P90 S91 G98 R99 Q101 H343 I344 T345	Q85-Q94 HydrophobicContact CG-CG 4.28Å; P90-Q94 VanDerWaalsContact O-CG 3.32Å; P90-Q94 WeakPolarHBondContact O-CG 3.27Å; P90-Q94 PolarHBondContact O-N 2.67Å; P90-Q94 VanDerWaalsContact O-N 3.09Å; S91-Q94 PolarHBondContact O-N 3.29Å; Q94-G98 WeakPolarHBondContact O-CA 3.46Å; Q94-G98 PolarHBondContact O-N 3.27Å; Q94-R99 WeakPolarHBondContact CA-O 3.28Å; Q94-R99 VanDerWaalsContact CG-O 3.23Å; Q94-R99 WeakPolarHBondContact CG-O 3.4Å; Q94-Q101 HydrophobicContact CG-CG 4.31Å; Q94-H343 PolarHBondContact OE1-CE1 3.08Å; Q94-I344 HydrophobicContact CB-CG2 3.93Å; Q94-T345 HydrophobicContact CB-CG2 3.76Å; Q94-T345 HydrophobicContact CG-CG2 4.38Å
95	L	98.9	Very high	98.5	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.005	3%	0.034	C	C	.	.	H	α-helix	trans	-60.2	-47.9	170.2	174.8	59.4	0	0	0	111.3	F46 L48 S91 T97 Y229 I344 W347	F46-L95 HydrophobicContact CD1-CD2 4.1Å; F46-L95 HydrophobicContact CD2-CD1 4.31Å; F46-L95 HydrophobicContact CE1-CD1 4.2Å; F46-L95 HydrophobicContact CE1-CD2 3.7Å; F46-L95 HydrophobicContact CE2-CD1 3.68Å; F46-L95 HydrophobicContact CZ-CD1 3.62Å; F46-L95 HydrophobicContact CZ-CD2 3.99Å; F46-L95 HydrophobicContact CZ-CG 4.49Å; L48-L95 HydrophobicContact CD2-CD2 4.24Å; S91-L95 WeakPolarHBondContact O-CB 3.39Å; S91-L95 PolarHBondContact O-N 3.23Å; L95-T97 VanDerWaalsContact C-N 3.3Å; L95-T97 PolarHBondContact O-N 3.21Å; L95-Y229 HydrophobicContact CD2-CE2 3.8Å; L95-I344 HydrophobicContact CB-CD1 4.02Å; L95-I344 HydrophobicContact CB-CG1 4Å; L95-I344 HydrophobicContact CD1-CG1 4.31Å; L95-W347 HydrophobicContact CD1-CB 3.7Å; L95-W347 HydrophobicContact CD1-CG 4.17Å
96	M	98.8	Very high	98.5	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.005	4%	0.036	C	C	.	.	H	α-helix	trans	-72.4	-23.5	-175.1	-70.2	-61.2	147.6	0	0	113.2	R92 S93 L119 T125 L126 W143 L145 F159 Y229 F348	R92-M96 WeakPolarHBondContact O-CB 3.5Å; R92-M96 VanDerWaalsContact O-CG 3.25Å; R92-M96 WeakPolarHBondContact O-CG 3.49Å; R92-M96 PolarHBondContact O-N 2.88Å; S93-M96 PolarHBondContact O-N 3.23Å; M96-L119 HydrophobicContact CB-CD2 4.44Å; M96-T125 CarbonylContact O-C 3.58Å; M96-T125 WeakPolarHBondContact O-CA 3.44Å; M96-L126 PolarHBondContact O-N 3.11Å; M96-W143 HydrophobicContact CG-CH2 4.43Å; M96-W143 HydrophobicContact CG-CZ3 4.19Å; M96-W143 HydrophobicContact SD-CZ3 4.3Å; M96-L145 HydrophobicContact CB-CD1 4.12Å; M96-L145 HydrophobicContact CG-CD1 3.63Å; M96-F159 HydrophobicContact CE-CZ 4.35Å; M96-F159 HydrophobicContact SD-CE2 4.43Å; M96-F159 HydrophobicContact SD-CZ 4.3Å; M96-Y229 HydrophobicContact CE-CD1 3.51Å; M96-Y229 HydrophobicContact CE-CD2 4.11Å; M96-Y229 HydrophobicContact CE-CE1 3.26Å; M96-Y229 HydrophobicContact CE-CE2 3.89Å; M96-Y229 HydrophobicContact CE-CG 3.93Å; M96-Y229 VanDerWaalsContact CE-CZ 3.45Å; M96-F348 WeakPolarHBondContact O-CD2 3.33Å; M96-F348 WeakPolarHBondContact O-CE2 3.3Å
97	T	98.5	Very high	98.5	Very high	2 Å²	2	7.6 Å²	7.6	1%	0.012	4%	0.036	C	C	.	.	H	α-helix	trans	-117.1	-17.5	-173.2	59	0	0	0	0	114.4	S93 L95 R99 L119 N123 L365	S93-T97 WeakPolarHBondContact O-CB 3.32Å; S93-T97 WeakPolarHBondContact O-CG2 3.44Å; S93-T97 PolarHBondContact O-N 3.31Å; S93-T97 VanDerWaalsContact O-N 3.12Å; S93-T97 PolarHBondContact O-OG1 3.22Å; L95-T97 VanDerWaalsContact C-N 3.3Å; L95-T97 PolarHBondContact O-N 3.21Å; T97-R99 WeakPolarHBondContact O-CG 3.45Å; T97-R99 PolarHBondContact O-N 2.84Å; T97-R99 PolarHBondContact OG1-N 2.97Å; T97-L119 HydrophobicContact CG2-CD1 3.75Å; T97-L119 HydrophobicContact CG2-CD2 3.7Å; T97-L119 HydrophobicContact CG2-CG 4.24Å; T97-N123 HydrophobicContact CG2-CB 3.78Å; T97-L365 WeakPolarHBondContact O-CD2 3.28Å
98	G	98.5	Very high	98.5	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	3%	0.034	C	C	.	.	S	Bend	trans	68	12.4	-169.4	0	0	0	0	0	114	Q94 T345 F348 D366 G367	Q94-G98 WeakPolarHBondContact O-CA 3.46Å; Q94-G98 PolarHBondContact O-N 3.27Å; G98-T345 WeakPolarHBondContact CA-O 3.46Å; G98-F348 VanDerWaalsContact CA-CB 3.47Å; G98-D366 PolarHBondContact O-N 2.92Å; G98-G367 PolarHBondContact O-N 3.29Å
99	R	98.3	Very high	98.4	Very high	54 Å²	54	8.7 Å²	8.7	20%	0.204	4%	0.042	C	C	.	.			trans	-120.3	146.4	-174.3	-58.4	-178.2	76.6	-162.3	8.4	111.7	Q94 T97 N123 N364 L365 D366	Q94-R99 WeakPolarHBondContact CA-O 3.28Å; Q94-R99 VanDerWaalsContact CG-O 3.23Å; Q94-R99 WeakPolarHBondContact CG-O 3.4Å; T97-R99 WeakPolarHBondContact O-CG 3.45Å; T97-R99 PolarHBondContact O-N 2.84Å; T97-R99 PolarHBondContact OG1-N 2.97Å; R99-N123 PolarHBondContact NH1-OD1 3.35Å; R99-N364 PolarHBondContact NE-O 2.97Å; R99-L365 HydrophobicContact CG-CD2 4.28Å; R99-D366 WeakPolarHBondContact CA-OD2 3.33Å
100	Y	98.8	Very high	98.4	Very high	4 Å²	4	10.7 Å²	10.7	2%	0.016	5%	0.052	C	C	.	.			trans	-68.7	155.4	175.1	-67.7	-41.3	0	0	0	111.6	I102 H103 T104 H343 T345 D366 R382 L386 Y494	Y100-I102 PolarHBondContact O-N 2.65Å; Y100-I102 VanDerWaalsContact O-N 3.14Å; Y100-H103 PolarHBondContact O-N 3.06Å; Y100-T104 PolarHBondContact O-N 2.91Å; Y100-H343 AromaticContact CE1-CE1 3.75Å; Y100-H343 AromaticContact CE1-ND1 3.82Å; Y100-T345 HydrophobicContact CD1-CG2 3.99Å; Y100-T345 HydrophobicContact CE1-CG2 4.03Å; Y100-D366 WeakPolarHBondContact CB-OD2 3.07Å; Y100-D366 HydrophobicContact CD1-CB 4.25Å; Y100-D366 HydrophobicContact CD2-CB 3.52Å; Y100-D366 WeakPolarHBondContact CD2-OD1 3.43Å; Y100-D366 WeakPolarHBondContact CD2-OD2 3.34Å; Y100-D366 HydrophobicContact CE1-CB 4.28Å; Y100-D366 HydrophobicContact CE2-CB 3.58Å; Y100-D366 HydrophobicContact CG-CB 3.88Å; Y100-D366 PolarHBondContact N-OD2 3.05Å; Y100-R382 PolarHBondContact OH-NH1 3.39Å; Y100-L386 HydrophobicContact CD2-CB 4.12Å; Y100-L386 HydrophobicContact CD2-CD2 4.39Å; Y100-L386 WeakPolarHBondContact CE1-O 3.17Å; Y100-L386 HydrophobicContact CE2-CB 3.89Å; Y100-Y494 HydrophobicContact CD2-CE1 4.38Å; Y100-Y494 AromaticContact CE2-CE1 3.95Å; Y100-Y494 HydrophobicContact CE2-CE1 3.95Å
101	Q	98.4	Very high	98.4	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.009	5%	0.053	C	C	.	.	H	α-helix	trans	-60.2	-26.2	176.5	-71.2	154.3	-85.6	0	0	113.5	Q85 P90 Q94 H103 T104 G105 L106 Q107	Q85-Q101 VanDerWaalsContact CD-OE1 3.32Å; P90-Q101 VanDerWaalsContact CB-CD 3.47Å; P90-Q101 HydrophobicContact CB-CG 4.34Å; Q94-Q101 HydrophobicContact CG-CG 4.31Å; Q101-H103 PolarHBondContact O-N 3.35Å; Q101-T104 WeakPolarHBondContact CA-OG1 3.35Å; Q101-T104 PolarHBondContact O-N 3.44Å; Q101-T104 PolarHBondContact O-OG1 2.82Å; Q101-G105 PolarHBondContact O-N 2.96Å; Q101-L106 HydrophobicContact CG-CB 4.28Å; Q101-L106 WeakPolarHBondContact CG-O 3.44Å; Q101-L106 PolarHBondContact NE2-O 2.93Å; Q101-L106 PolarHBondContact O-N 2.95Å; Q101-Q107 HydrophobicContact CB-CG 4.25Å
102	I	98.5	Very high	98.3	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-63.9	-16.9	175.2	61.2	155.1	0	0	0	112.6	Y100 Q107 L386 I389 Y494 A498 V499	Y100-I102 PolarHBondContact O-N 2.65Å; Y100-I102 VanDerWaalsContact O-N 3.14Å; I102-Q107 HydrophobicContact CB-CG 4.5Å; I102-Q107 HydrophobicContact CG2-CG 3.95Å; I102-L386 HydrophobicContact CD1-CD2 3.5Å; I102-L386 VanDerWaalsContact CD1-CD2 3.5Å; I102-L386 HydrophobicContact CG1-CD2 3.85Å; I102-L386 HydrophobicContact CG2-CD2 3.93Å; I102-I389 HydrophobicContact CG2-CB 4.11Å; I102-I389 HydrophobicContact CG2-CD1 4.49Å; I102-I389 HydrophobicContact CG2-CG1 4.33Å; I102-Y494 HydrophobicContact CD1-CD1 4.32Å; I102-A498 HydrophobicContact CB-CB 3.9Å; I102-A498 HydrophobicContact CG2-CB 4.36Å; I102-A498 CarbonylContact O-C 3.4Å; I102-A498 VanDerWaalsContact O-CA 3.27Å; I102-A498 WeakPolarHBondContact O-CA 3.47Å; I102-V499 WeakPolarHBondContact O-CG2 3.35Å; I102-V499 PolarHBondContact O-N 2.74Å
103	H	98.2	Very high	98.2	Very high	27 Å²	27	16.4 Å²	16.4	13%	0.125	8%	0.075	C	C	.	.	H	α-helix	trans	-104.6	-10.4	176.3	-59.4	156.4	0	0	0	113.7	Y100 Q101 D366 T497	Y100-H103 PolarHBondContact O-N 3.06Å; Q101-H103 PolarHBondContact O-N 3.35Å; H103-D366 IonicContact CE1-OD1 3.71Å; H103-D366 PolarHBondContact CE1-OD1 3.1Å; H103-D366 VanDerWaalsContact CE1-OD1 3.28Å; H103-D366 IonicContact CE1-OD2 2.64Å; H103-D366 PolarHBondContact CE1-OD2 3.36Å; H103-D366 IonicContact ND1-OD1 3.76Å; H103-D366 IonicContact ND1-OD2 3.15Å; H103-D366 PolarHBondContact ND1-OD2 3.25Å; H103-T497 PolarHBondContact CD2-O 3.09Å; H103-T497 PolarHBondContact NE2-OG1 2.9Å
104	T	97.3	Very high	98.1	Very high	3 Å²	3	17 Å²	17	2%	0.018	8%	0.078	C	C	.	.	H	α-helix	trans	-105.8	-11	177.4	63.8	0	0	0	0	113.2	Y100 Q101 L106 L119 P120	Y100-T104 PolarHBondContact O-N 2.91Å; Q101-T104 WeakPolarHBondContact CA-OG1 3.35Å; Q101-T104 PolarHBondContact O-N 3.44Å; Q101-T104 PolarHBondContact O-OG1 2.82Å; T104-L106 VanDerWaalsContact C-N 3.28Å; T104-L119 HydrophobicContact CG2-CD1 4.34Å; T104-P120 WeakPolarHBondContact O-CG 3.38Å
105	G	98.1	Very high	98	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	11.6	-175.4	0	0	0	0	0	113.5	Q101 Q107 V499 R502	Q101-G105 PolarHBondContact O-N 2.96Å; G105-Q107 PolarHBondContact O-OE1 2.85Å; G105-Q107 VanDerWaalsContact O-OE1 3.12Å; G105-V499 VanDerWaalsContact N-CG2 3.29Å; G105-R502 WeakPolarHBondContact O-CB 3.25Å; G105-R502 PolarHBondContact O-N 3.43Å
106	L	98.4	Very high	97.9	Very high	10 Å²	10	18.4 Å²	18.4	5%	0.052	9%	0.087	C	C	.	.			trans	-98.8	28.6	-177.7	-61.3	178.5	0	0	0	112.8	Q101 T104 H108 I111 L119	Q101-L106 HydrophobicContact CG-CB 4.28Å; Q101-L106 WeakPolarHBondContact CG-O 3.44Å; Q101-L106 PolarHBondContact NE2-O 2.93Å; Q101-L106 PolarHBondContact O-N 2.95Å; T104-L106 VanDerWaalsContact C-N 3.28Å; L106-H108 VanDerWaalsContact C-N 3.29Å; L106-H108 PolarHBondContact O-N 2.81Å; L106-I111 HydrophobicContact CD1-CD1 4.43Å; L106-I111 HydrophobicContact CD2-CD1 4.15Å; L106-I111 HydrophobicContact CD2-CG1 4.23Å; L106-L119 HydrophobicContact CD1-CD1 4.17Å
107	Q	98.4	Very high	97.9	Very high	7 Å²	7	18.5 Å²	18.5	3%	0.033	9%	0.087	C	C	.	.			trans	-64.8	-34.7	-175.3	-55.6	92.9	-35.7	0	0	112.5	Q101 I102 G105 N388 I389 V499 V501	Q101-Q107 HydrophobicContact CB-CG 4.25Å; I102-Q107 HydrophobicContact CB-CG 4.5Å; I102-Q107 HydrophobicContact CG2-CG 3.95Å; G105-Q107 PolarHBondContact O-OE1 2.85Å; G105-Q107 VanDerWaalsContact O-OE1 3.12Å; Q107-N388 PolarHBondContact O-ND2 3.38Å; Q107-I389 WeakPolarHBondContact CB-O 3.32Å; Q107-I389 WeakPolarHBondContact CG-O 3.43Å; Q107-V499 PolarHBondContact NE2-O 2.67Å; Q107-V501 HydrophobicContact CB-CG2 4.27Å
108	H	98.3	Very high	97.8	Very high	35 Å²	35	18.5 Å²	18.5	16%	0.162	9%	0.088	C	C	.	.	S	Bend	trans	-97	122.5	-172.2	-173.3	68.1	0	0	0	112.2	L106 D390 I392 V501 Y503	L106-H108 VanDerWaalsContact C-N 3.29Å; L106-H108 PolarHBondContact O-N 2.81Å; H108-D390 IonicContact CE1-OD2 3.3Å; H108-D390 IonicContact CG-OD1 3.16Å; H108-D390 IonicContact CG-OD2 2.73Å; H108-D390 IonicContact ND1-OD1 3.16Å; H108-D390 PolarHBondContact ND1-OD1 3.26Å; H108-D390 IonicContact ND1-OD2 3.06Å; H108-D390 PolarHBondContact ND1-OD2 3.22Å; H108-I392 HydrophobicContact CB-CD1 3.76Å; H108-I392 HydrophobicContact CB-CG1 3.81Å; H108-V501 HydrophobicContact CB-CG1 3.56Å; H108-Y503 AromaticContact CD2-CD1 3.61Å; H108-Y503 AromaticContact CD2-CD2 3.82Å; H108-Y503 AromaticContact CD2-CE1 3.66Å; H108-Y503 AromaticContact CD2-CE2 3.9Å; H108-Y503 AromaticContact CD2-CG 3.66Å; H108-Y503 AromaticContact CD2-CZ 3.79Å; H108-Y503 AromaticContact NE2-CE1 3.94Å
109	S	96.8	Very high	97.8	Very high	28 Å²	28	18.5 Å²	18.5	20%	0.196	9%	0.088	C	C	.	.	S	Bend	trans	57.6	-148.6	169.3	-172.3	0	0	0	0	112.7	P90 Y503	P90-S109 WeakPolarHBondContact CG-O 3.26Å; S109-Y503 PolarHBondContact OG-OH 3.08Å
110	I	98.1	Very high	97.8	Very high	45 Å²	45	16.1 Å²	16.1	23%	0.231	8%	0.079	C	C	.	.			trans	-116.5	167.6	175	56.7	166.2	0	0	0	110.4	L87 R112	L87-I110 HydrophobicContact CB-CG2 3.94Å; L87-I110 HydrophobicContact CD1-CG2 4.26Å; L87-I110 HydrophobicContact CG-CG2 4.5Å; I110-R112 PolarHBondContact O-N 3.09Å
111	I	98.4	Very high	97.7	Very high	9 Å²	9	20 Å²	20	5%	0.046	10%	0.1	C	C	.	.			trans	-77.9	116.5	169.8	-63.8	160.6	0	0	0	108.7	S89 L106 N117 H144	S89-I111 PolarHBondContact OG-N 3.31Å; L106-I111 HydrophobicContact CD1-CD1 4.43Å; L106-I111 HydrophobicContact CD2-CD1 4.15Å; L106-I111 HydrophobicContact CD2-CG1 4.23Å; I111-N117 HydrophobicContact CG2-CB 4.44Å; I111-N117 WeakPolarHBondContact CG2-O 3.48Å; I111-H144 PolarHBondContact O-NE2 2.81Å
112	R	97.1	Very high	97.4	Very high	113 Å²	113	26.7 Å²	26.7	43%	0.426	13%	0.131	S	C	.	.			trans	-84.1	156.2	178.7	-60.4	-179.7	174.7	-92	-2.4	111.7	I110 T114 Q115 Y503	I110-R112 PolarHBondContact O-N 3.09Å; R112-T114 PolarHBondContact O-N 3.33Å; R112-T114 VanDerWaalsContact O-N 3.11Å; R112-Q115 HydrophobicContact CB-CG 4Å; R112-Q115 VanDerWaalsContact CB-OE1 3.31Å; R112-Q115 PolarHBondContact O-N 2.95Å; R112-Y503 PolarHBondContact NE-OH 3.25Å; R112-Y503 VanDerWaalsContact NE-OH 3.11Å
113	A	96.8	Very high	97.3	Very high	3 Å²	3	27 Å²	27	3%	0.025	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-39.7	-179.9	0	0	0	0	0	113.7	F147 L167 E179 W519 W522	A113-F147 VanDerWaalsContact O-CZ 3.25Å; A113-F147 WeakPolarHBondContact O-CZ 3.15Å; A113-L167 VanDerWaalsContact CA-CD2 3.43Å; A113-L167 HydrophobicContact CB-CD2 3.26Å; A113-E179 HydrophobicContact CB-CG 3.66Å; A113-W519 HydrophobicContact CB-CE3 4.16Å; A113-W519 HydrophobicContact CB-CH2 3.94Å; A113-W519 HydrophobicContact CB-CZ2 4.43Å; A113-W519 HydrophobicContact CB-CZ3 3.8Å; A113-W522 WeakPolarHBondContact O-CH2 3.1Å
114	T	96.3	Very high	97.1	Very high	12 Å²	12	28.7 Å²	28.7	7%	0.074	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	5.2	-172.8	59.1	0	0	0	0	113.4	R112 M183 K506 D507 S510 W519	R112-T114 PolarHBondContact O-N 3.33Å; R112-T114 VanDerWaalsContact O-N 3.11Å; T114-M183 HydrophobicContact CG2-CE 4.37Å; T114-M183 HydrophobicContact CG2-SD 3.44Å; T114-M183 WeakPolarHBondContact CG2-SD 3.35Å; T114-K506 CarbonylContact O-C 3.55Å; T114-K506 WeakPolarHBondContact O-CA 3.17Å; T114-K506 WeakPolarHBondContact OG1-CB 3.46Å; T114-D507 PolarHBondContact O-N 2.69Å; T114-S510 VanDerWaalsContact CA-OG 3.3Å; T114-S510 WeakPolarHBondContact CA-OG 3.49Å; T114-S510 VanDerWaalsContact CB-OG 3.29Å; T114-S510 WeakPolarHBondContact CB-OG 3.23Å; T114-S510 WeakPolarHBondContact CG2-OG 2.98Å; T114-W519 HydrophobicContact CG2-CH2 4.07Å; T114-W519 HydrophobicContact CG2-CZ3 4.17Å
115	Q	96.9	Very high	97.2	Very high	8 Å²	8	28.5 Å²	28.5	4%	0.037	14%	0.141	C	C	.	.	S	Bend	trans	-91.8	131	-179.6	-76	178.4	-53.3	0	0	110.4	R112 N117 Y503 P504 W522	R112-Q115 HydrophobicContact CB-CG 4Å; R112-Q115 VanDerWaalsContact CB-OE1 3.31Å; R112-Q115 PolarHBondContact O-N 2.95Å; Q115-N117 HydrophobicContact CB-CB 4.39Å; Q115-N117 PolarHBondContact O-N 3.31Å; Q115-Y503 VanDerWaalsContact NE2-CE2 3.31Å; Q115-P504 HydrophobicContact CB-CG 4.49Å; Q115-P504 WeakPolarHBondContact CG-O 3.43Å; Q115-P504 PolarHBondContact NE2-O 3.36Å; Q115-W522 WeakPolarHBondContact O-CH2 3.07Å
116	P	97.3	Very high	97.2	Very high	23 Å²	23	28.6 Å²	28.6	15%	0.149	14%	0.141	C	C	.	.	S	Bend	trans	-76.7	64.1	172.2	33.3	-34.8	0	0	0	110.4	Y148 P504 A505 D507 W522 Y523	P116-Y148 VanDerWaalsContact CA-CD2 3.47Å; P116-Y148 HydrophobicContact CB-CD2 3.53Å; P116-Y148 HydrophobicContact CB-CE2 3.87Å; P116-Y148 HydrophobicContact CB-CG 4.12Å; P116-P504 HydrophobicContact CG-CB 4.18Å; P116-P504 HydrophobicContact CG-CG 4.21Å; P116-A505 VanDerWaalsContact CD-O 3.3Å; P116-A505 WeakPolarHBondContact CD-O 3.34Å; P116-D507 HydrophobicContact CG-CB 4.35Å; P116-W522 HydrophobicContact CB-CZ2 4.18Å; P116-Y523 HydrophobicContact CB-CD2 4.34Å; P116-Y523 HydrophobicContact CB-CE2 3.58Å; P116-Y523 HydrophobicContact CG-CE2 4.49Å
117	N	97.8	Very high	97.2	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.016	14%	0.138	C	C	.	.			trans	-136.7	150.6	-178.5	-155.4	19.8	0	0	0	110.2	I111 Q115 G146 R502 P504	I111-N117 HydrophobicContact CG2-CB 4.44Å; I111-N117 WeakPolarHBondContact CG2-O 3.48Å; Q115-N117 HydrophobicContact CB-CB 4.39Å; Q115-N117 PolarHBondContact O-N 3.31Å; N117-G146 WeakPolarHBondContact O-CA 3.35Å; N117-R502 PolarHBondContact ND2-O 2.95Å; N117-R502 PolarHBondContact OD1-NH2 2.92Å; N117-P504 HydrophobicContact CB-CG 3.81Å
118	C	98.3	Very high	97.2	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.014	15%	0.15	C	C	.	.			trans	-154.9	173.6	170.3	71.9	0	0	0	0	110	P120 L145 Y148 C152	C118-P120 VanDerWaalsContact O-N 3.15Å; C118-L145 CarbonylContact C-O 3.59Å; C118-L145 WeakPolarHBondContact CA-O 3.5Å; C118-L145 WeakPolarHBondContact CB-O 3.34Å; C118-Y148 HydrophobicContact CB-CD1 4.13Å; C118-Y148 HydrophobicContact CB-CE1 4.08Å; C118-C152 HydrophobicContact CB-CB 3.39Å; C118-C152 WeakPolarHBondContact CB-SG 3.48Å; C118-C152 WeakPolarHBondContact SG-CB 3.3Å; C118-C152 CovalentContact SG-SG 2.05Å; C118-C152 PolarHBondContact SG-SG 3.47Å
119	L	98.3	Very high	97.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-51.6	122.9	166.7	177.5	69.2	0	0	0	107.8	M96 T97 T104 L106 L121 T125 L145 R157	M96-L119 HydrophobicContact CB-CD2 4.44Å; T97-L119 HydrophobicContact CG2-CD1 3.75Å; T97-L119 HydrophobicContact CG2-CD2 3.7Å; T97-L119 HydrophobicContact CG2-CG 4.24Å; T104-L119 HydrophobicContact CG2-CD1 4.34Å; L106-L119 HydrophobicContact CD1-CD1 4.17Å; L119-L121 PolarHBondContact O-N 3.34Å; L119-T125 HydrophobicContact CD2-CG2 3.96Å; L119-L145 HydrophobicContact CB-CB 4.18Å; L119-L145 HydrophobicContact CD2-CD1 4.32Å; L119-L145 PolarHBondContact N-O 3.18Å; L119-R157 VanDerWaalsContact CD2-NH2 3.31Å; L119-R157 PolarHBondContact O-NH1 3.26Å
120	P	97.3	Very high	97.3	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.019	13%	0.134	C	C	.	.			trans	-55.1	138.4	-173.9	-18.8	26.6	0	0	0	110.9	T104 C118 E122 N123 R157	T104-P120 WeakPolarHBondContact O-CG 3.38Å; C118-P120 VanDerWaalsContact O-N 3.15Å; P120-E122 HydrophobicContact CB-CG 4.31Å; P120-E122 WeakPolarHBondContact CB-OE1 3.5Å; P120-E122 WeakPolarHBondContact CB-OE2 3.19Å; P120-E122 PolarHBondContact O-N 2.81Å; P120-N123 WeakPolarHBondContact CB-ND2 3.5Å; P120-N123 PolarHBondContact O-N 2.84Å; P120-N123 VanDerWaalsContact O-N 3.14Å; P120-N123 PolarHBondContact O-ND2 2.78Å; P120-R157 PolarHBondContact O-NH2 3.46Å
121	L	96	Very high	97.3	Very high	87 Å²	87	30.4 Å²	30.4	46%	0.455	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-24.6	-167.7	-59.8	-176.3	0	0	0	112.2	L119 N123 G151	L119-L121 PolarHBondContact O-N 3.34Å; L121-N123 PolarHBondContact O-N 2.86Å; L121-G151 VanDerWaalsContact CD2-O 3.26Å; L121-G151 WeakPolarHBondContact CD2-O 3.37Å
122	E	94	Very high	97.3	Very high	142 Å²	142	36.1 Å²	36.1	66%	0.664	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-15.5	175	65.1	-87.5	-156.6	0	0	113.7	P120 I124	P120-E122 HydrophobicContact CB-CG 4.31Å; P120-E122 WeakPolarHBondContact CB-OE1 3.5Å; P120-E122 WeakPolarHBondContact CB-OE2 3.19Å; P120-E122 PolarHBondContact O-N 2.81Å; E122-I124 PolarHBondContact O-N 3.3Å
123	N	94.6	Very high	97.2	Very high	7 Å²	7	31.6 Å²	31.6	4%	0.037	16%	0.157	C	C	.	.	S	Bend	trans	-81.7	116.2	175.6	-68.3	-85.5	0	0	0	110.2	T97 R99 P120 L121 R157	T97-N123 HydrophobicContact CG2-CB 3.78Å; R99-N123 PolarHBondContact NH1-OD1 3.35Å; P120-N123 WeakPolarHBondContact CB-ND2 3.5Å; P120-N123 PolarHBondContact O-N 2.84Å; P120-N123 VanDerWaalsContact O-N 3.14Å; P120-N123 PolarHBondContact O-ND2 2.78Å; L121-N123 PolarHBondContact O-N 2.86Å; N123-R157 PolarHBondContact O-NH2 3.24Å
124	I	95.8	Very high	97.3	Very high	62 Å²	62	33.1 Å²	33.1	32%	0.318	17%	0.173	S	C	.	.			trans	-62.1	136.1	169.3	-62.8	168.6	0	0	0	108.8	E122 Q128 K129 Q363	E122-I124 PolarHBondContact O-N 3.3Å; I124-Q128 HydrophobicContact CG2-CB 4.37Å; I124-K129 HydrophobicContact CG2-CD 4.35Å; I124-K129 HydrophobicContact CG2-CG 3.93Å; I124-Q363 HydrophobicContact CD1-CG 4.33Å
125	T	98.3	Very high	97.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.			trans	-105.4	155	-178	66.3	0	0	0	0	112.6	M96 L119 Q128 K129 R157	M96-T125 CarbonylContact O-C 3.58Å; M96-T125 WeakPolarHBondContact O-CA 3.44Å; L119-T125 HydrophobicContact CD2-CG2 3.96Å; T125-Q128 WeakPolarHBondContact O-CA 3.41Å; T125-Q128 WeakPolarHBondContact O-CB 3.19Å; T125-Q128 PolarHBondContact O-N 3.12Å; T125-Q128 VanDerWaalsContact OG1-CG 3.3Å; T125-Q128 WeakPolarHBondContact OG1-CG 3.43Å; T125-Q128 PolarHBondContact OG1-OE1 3.02Å; T125-Q128 VanDerWaalsContact OG1-OE1 3.09Å; T125-K129 PolarHBondContact O-N 3.16Å; T125-K129 VanDerWaalsContact O-N 3.11Å; T125-R157 HydrophobicContact CG2-CB 4.39Å; T125-R157 PolarHBondContact OG1-O 3.44Å
126	L	98.8	Very high	97.5	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-49.1	-51.8	176.3	173.3	59.7	0	0	0	112.9	M96 Q128 K129 L130 F227 F348 L351 V352	M96-L126 PolarHBondContact O-N 3.11Å; L126-Q128 VanDerWaalsContact C-N 3.29Å; L126-Q128 PolarHBondContact O-N 2.98Å; L126-K129 PolarHBondContact O-N 2.78Å; L126-L130 HydrophobicContact CD1-CD1 3.81Å; L126-L130 HydrophobicContact CD1-CG 3.98Å; L126-L130 HydrophobicContact CG-CD1 4.02Å; L126-L130 PolarHBondContact O-N 2.86Å; L126-F227 HydrophobicContact CD2-CE2 4.49Å; L126-F227 HydrophobicContact CD2-CZ 3.9Å; L126-F227 HydrophobicContact CG-CE1 4.44Å; L126-F227 HydrophobicContact CG-CZ 4.27Å; L126-F348 HydrophobicContact CB-CD2 3.77Å; L126-F348 HydrophobicContact CB-CE2 4.15Å; L126-L351 HydrophobicContact CD1-CB 4.09Å; L126-L351 HydrophobicContact CD2-CD1 3.95Å; L126-V352 HydrophobicContact CD1-CG2 3.66Å
127	P	98.8	Very high	97.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.3	-31.2	176.2	26.2	-38.7	0	0	0	113.4	L130 K131 T137 R157 F159 F227	P127-L130 PolarHBondContact O-N 2.8Å; P127-K131 WeakPolarHBondContact O-CB 3.22Å; P127-K131 PolarHBondContact O-N 3.25Å; P127-T137 HydrophobicContact CB-CG2 4.28Å; P127-R157 VanDerWaalsContact CG-O 3.23Å; P127-R157 WeakPolarHBondContact CG-O 3.28Å; P127-F159 HydrophobicContact CB-CD1 3.84Å; P127-F159 HydrophobicContact CB-CD2 4.34Å; P127-F159 HydrophobicContact CB-CE1 3.71Å; P127-F159 HydrophobicContact CB-CE2 4.23Å; P127-F159 HydrophobicContact CB-CG 4.16Å; P127-F159 HydrophobicContact CB-CZ 3.92Å; P127-F159 HydrophobicContact CG-CD1 4.33Å; P127-F159 HydrophobicContact CG-CD2 4Å; P127-F159 HydrophobicContact CG-CE1 4.02Å; P127-F159 HydrophobicContact CG-CE2 3.67Å; P127-F159 HydrophobicContact CG-CG 4.34Å; P127-F159 HydrophobicContact CG-CZ 3.67Å; P127-F227 HydrophobicContact CB-CD1 4.18Å; P127-F227 HydrophobicContact CB-CE1 4Å
128	Q	98.4	Very high	97.6	Very high	59 Å²	59	32.4 Å²	32.4	28%	0.276	17%	0.168	S	C	.	.	H	α-helix	trans	-62.9	-45.6	173.6	-69.3	173.5	-61.9	0	0	110.8	I124 T125 L126 K131 E132 G158	I124-Q128 HydrophobicContact CG2-CB 4.37Å; T125-Q128 WeakPolarHBondContact O-CA 3.41Å; T125-Q128 WeakPolarHBondContact O-CB 3.19Å; T125-Q128 PolarHBondContact O-N 3.12Å; T125-Q128 VanDerWaalsContact OG1-CG 3.3Å; T125-Q128 WeakPolarHBondContact OG1-CG 3.43Å; T125-Q128 PolarHBondContact OG1-OE1 3.02Å; T125-Q128 VanDerWaalsContact OG1-OE1 3.09Å; L126-Q128 VanDerWaalsContact C-N 3.29Å; L126-Q128 PolarHBondContact O-N 2.98Å; Q128-K131 PolarHBondContact O-N 3.07Å; Q128-E132 WeakPolarHBondContact O-CG 3.35Å; Q128-E132 PolarHBondContact O-N 3.25Å; Q128-G158 VanDerWaalsContact CG-CA 3.47Å
129	K	98.1	Very high	97.6	Very high	5 Å²	5	32.3 Å²	32.3	2%	0.022	17%	0.167	C	C	.	.	H	α-helix	trans	-64.9	-40.6	176.3	-79.6	-55.9	-166.2	-180	0	113.8	I124 T125 L126 K131 E132 A133 F348 V352 D360	I124-K129 HydrophobicContact CG2-CD 4.35Å; I124-K129 HydrophobicContact CG2-CG 3.93Å; T125-K129 PolarHBondContact O-N 3.16Å; T125-K129 VanDerWaalsContact O-N 3.11Å; L126-K129 PolarHBondContact O-N 2.78Å; K129-K131 VanDerWaalsContact C-N 3.33Å; K129-E132 VanDerWaalsContact CD-OE2 3.25Å; K129-E132 WeakPolarHBondContact CD-OE2 3.41Å; K129-E132 IonicContact NZ-OE2 3.69Å; K129-E132 PolarHBondContact NZ-OE2 2.97Å; K129-E132 VanDerWaalsContact NZ-OE2 3.08Å; K129-E132 WeakPolarHBondContact O-CB 3.32Å; K129-E132 PolarHBondContact O-N 2.64Å; K129-A133 PolarHBondContact O-N 2.81Å; K129-F348 HydrophobicContact CG-CE1 4.32Å; K129-F348 HydrophobicContact CG-CZ 3.84Å; K129-V352 HydrophobicContact CB-CG1 4.25Å; K129-V352 HydrophobicContact CB-CG2 3.58Å; K129-V352 HydrophobicContact CG-CG2 4.29Å; K129-D360 WeakPolarHBondContact CE-OD2 3.46Å; K129-D360 IonicContact NZ-OD1 3.43Å; K129-D360 PolarHBondContact NZ-OD1 3.25Å; K129-D360 IonicContact NZ-OD2 2.74Å; K129-D360 PolarHBondContact NZ-OD2 3.02Å
130	L	98.6	Very high	97.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-67.8	-36.7	176.1	-70.6	174.8	0	0	0	111.6	I44 L126 P127 A133 G134 Y135 T137 F227	I44-L130 HydrophobicContact CD1-CD1 4.33Å; I44-L130 HydrophobicContact CD1-CD2 4.07Å; L126-L130 HydrophobicContact CD1-CD1 3.81Å; L126-L130 HydrophobicContact CD1-CG 3.98Å; L126-L130 HydrophobicContact CG-CD1 4.02Å; L126-L130 PolarHBondContact O-N 2.86Å; P127-L130 PolarHBondContact O-N 2.8Å; L130-A133 CarbonylContact O-C 3.6Å; L130-A133 WeakPolarHBondContact O-CA 3.41Å; L130-A133 WeakPolarHBondContact O-CB 3.43Å; L130-A133 PolarHBondContact O-N 3.25Å; L130-A133 VanDerWaalsContact O-N 3.09Å; L130-G134 PolarHBondContact O-N 3.29Å; L130-Y135 HydrophobicContact CB-CD2 4.25Å; L130-Y135 HydrophobicContact CB-CG 4.07Å; L130-Y135 HydrophobicContact CD2-CD2 4.18Å; L130-Y135 HydrophobicContact CD2-CE2 4.16Å; L130-Y135 HydrophobicContact CD2-CG 4.48Å; L130-Y135 VanDerWaalsContact O-CB 3.28Å; L130-Y135 WeakPolarHBondContact O-CB 3.23Å; L130-Y135 WeakPolarHBondContact O-CD2 3.33Å; L130-Y135 PolarHBondContact O-N 2.78Å; L130-T137 HydrophobicContact CB-CG2 4.45Å; L130-F227 HydrophobicContact CD1-CB 3.91Å; L130-F227 HydrophobicContact CD1-CD1 3.63Å; L130-F227 HydrophobicContact CD1-CD2 3.73Å; L130-F227 HydrophobicContact CD1-CE1 4.02Å; L130-F227 HydrophobicContact CD1-CE2 4.12Å; L130-F227 HydrophobicContact CD1-CG 3.47Å; L130-F227 VanDerWaalsContact CD1-CG 3.47Å; L130-F227 HydrophobicContact CD1-CZ 4.25Å
131	K	98	Very high	97.7	Very high	100 Å²	100	32.2 Å²	32.2	44%	0.435	17%	0.166	S	C	.	.	H	α-helix	trans	-64.5	-40.9	174	-175.4	170.1	176.8	169	0	112.1	P127 Q128 K129 A133 G134 T137 D160	P127-K131 WeakPolarHBondContact O-CB 3.22Å; P127-K131 PolarHBondContact O-N 3.25Å; Q128-K131 PolarHBondContact O-N 3.07Å; K129-K131 VanDerWaalsContact C-N 3.33Å; K131-A133 PolarHBondContact O-N 2.97Å; K131-G134 PolarHBondContact O-N 3.5Å; K131-T137 HydrophobicContact CB-CG2 4.06Å; K131-D160 WeakPolarHBondContact CE-OD1 3.21Å; K131-D160 IonicContact NZ-OD1 3.19Å; K131-D160 PolarHBondContact NZ-OD1 3.34Å
132	E	97.3	Very high	97.9	Very high	129 Å²	129	28.1 Å²	28.1	60%	0.603	15%	0.145	S	C	*	.	H	α-helix	trans	-57.8	-35.9	169.9	-74.1	168.2	-158.7	0	0	111.7	Q128 K129 G134	Q128-E132 WeakPolarHBondContact O-CG 3.35Å; Q128-E132 PolarHBondContact O-N 3.25Å; K129-E132 VanDerWaalsContact CD-OE2 3.25Å; K129-E132 WeakPolarHBondContact CD-OE2 3.41Å; K129-E132 IonicContact NZ-OE2 3.69Å; K129-E132 PolarHBondContact NZ-OE2 2.97Å; K129-E132 VanDerWaalsContact NZ-OE2 3.08Å; K129-E132 WeakPolarHBondContact O-CB 3.32Å; K129-E132 PolarHBondContact O-N 2.64Å; E132-G134 PolarHBondContact O-N 3.15Å
133	A	97.1	Very high	98.1	Very high	18 Å²	18	21.4 Å²	21.4	15%	0.149	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	7.3	175	0	0	0	0	0	114.4	Q41 K129 L130 K131 Y135	Q41-A133 PolarHBondContact NE2-O 3.13Å; K129-A133 PolarHBondContact O-N 2.81Å; L130-A133 CarbonylContact O-C 3.6Å; L130-A133 WeakPolarHBondContact O-CA 3.41Å; L130-A133 WeakPolarHBondContact O-CB 3.43Å; L130-A133 PolarHBondContact O-N 3.25Å; L130-A133 VanDerWaalsContact O-N 3.09Å; K131-A133 PolarHBondContact O-N 2.97Å; A133-Y135 HydrophobicContact CB-CD2 4.27Å
134	G	97.3	Very high	98.3	Very high	34 Å²	34	21.4 Å²	21.4	35%	0.351	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.7	6.5	174.5	0	0	0	0	0	115.8	L130 K131 E132 Q224	L130-G134 PolarHBondContact O-N 3.29Å; K131-G134 PolarHBondContact O-N 3.5Å; E132-G134 PolarHBondContact O-N 3.15Å; G134-Q224 VanDerWaalsContact O-CG 3.26Å; G134-Q224 WeakPolarHBondContact O-CG 3.18Å; G134-Q224 PolarHBondContact O-NE2 2.76Å
135	Y	98.6	Very high	98.4	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.008	10%	0.099	C	C	.	.			trans	-73	142.9	179.8	-77.3	-113.5	0	0	0	112.9	Q41 P42 I44 L130 A133 P225 F227 G355	Q41-Y135 HydrophobicContact CB-CE2 4.48Å; P42-Y135 VanDerWaalsContact O-CE1 3.3Å; P42-Y135 WeakPolarHBondContact O-CE1 3.44Å; P42-Y135 PolarHBondContact O-OH 2.81Å; I44-Y135 HydrophobicContact CD1-CE1 3.83Å; I44-Y135 HydrophobicContact CG1-CE1 4.05Å; L130-Y135 HydrophobicContact CB-CD2 4.25Å; L130-Y135 HydrophobicContact CB-CG 4.07Å; L130-Y135 HydrophobicContact CD2-CD2 4.18Å; L130-Y135 HydrophobicContact CD2-CE2 4.16Å; L130-Y135 HydrophobicContact CD2-CG 4.48Å; L130-Y135 VanDerWaalsContact O-CB 3.28Å; L130-Y135 WeakPolarHBondContact O-CB 3.23Å; L130-Y135 WeakPolarHBondContact O-CD2 3.33Å; L130-Y135 PolarHBondContact O-N 2.78Å; A133-Y135 HydrophobicContact CB-CD2 4.27Å; Y135-P225 WeakPolarHBondContact CA-O 3.35Å; Y135-P225 HydrophobicContact CD1-CB 3.9Å; Y135-P225 HydrophobicContact CD1-CG 4.23Å; Y135-P225 HydrophobicContact CD2-CB 4.3Å; Y135-P225 HydrophobicContact CD2-CG 3.84Å; Y135-P225 HydrophobicContact CE1-CB 3.65Å; Y135-P225 HydrophobicContact CE1-CG 4.27Å; Y135-P225 HydrophobicContact CE2-CB 4.05Å; Y135-P225 HydrophobicContact CE2-CG 3.86Å; Y135-P225 HydrophobicContact CG-CB 4.21Å; Y135-P225 HydrophobicContact CG-CG 4.02Å; Y135-F227 HydrophobicContact CD1-CB 3.87Å; Y135-G355 WeakPolarHBondContact CE2-O 3.47Å; Y135-G355 WeakPolarHBondContact OH-CA 3.3Å
136	S	98.5	Very high	98.4	Very high	14 Å²	14	18.6 Å²	18.6	10%	0.098	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	121.7	157.4	-172.7	0	0	0	0	109.2	H138 P225 F227	S136-H138 PolarHBondContact OG-CE1 3.04Å; S136-H138 PolarHBondContact OG-NE2 2.9Å; S136-P225 PolarHBondContact N-O 2.93Å; S136-F227 PolarHBondContact O-N 2.82Å
137	T	98.9	Very high	98.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.2	-168.9	58	0	0	0	0	112.2	P127 L130 K131 G158 F159 D160 T161 F227	P127-T137 HydrophobicContact CB-CG2 4.28Å; L130-T137 HydrophobicContact CB-CG2 4.45Å; K131-T137 HydrophobicContact CB-CG2 4.06Å; T137-G158 PolarHBondContact OG1-O 2.92Å; T137-F159 WeakPolarHBondContact OG1-CA 3.2Å; T137-D160 PolarHBondContact N-OD2 3.45Å; T137-D160 WeakPolarHBondContact O-CA 3.47Å; T137-D160 WeakPolarHBondContact O-CB 3.41Å; T137-D160 PolarHBondContact O-N 2.93Å; T137-D160 PolarHBondContact OG1-N 3.32Å; T137-D160 PolarHBondContact OG1-OD2 2.84Å; T137-T161 PolarHBondContact O-N 3.12Å; T137-F227 HydrophobicContact CG2-CB 4.29Å; T137-F227 HydrophobicContact CG2-CD1 4.21Å
138	H	98.9	Very high	98.3	Very high	16 Å²	16	20.2 Å²	20.2	7%	0.074	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	132.8	-174.6	-55.3	-65	0	0	0	111.1	S136 T161 I215 F227 L228 Y229	S136-H138 PolarHBondContact OG-CE1 3.04Å; S136-H138 PolarHBondContact OG-NE2 2.9Å; H138-T161 PolarHBondContact ND1-OG1 3.28Å; H138-I215 HydrophobicContact CB-CD1 4.04Å; H138-I215 HydrophobicContact CB-CG2 4.24Å; H138-I215 VanDerWaalsContact CD2-CG2 3.48Å; H138-I215 WeakPolarHBondContact CD2-CG2 3.28Å; H138-F227 PolarHBondContact N-O 3.4Å; H138-L228 HydrophobicContact CB-CD1 4Å; H138-L228 WeakPolarHBondContact O-CA 3.37Å; H138-Y229 PolarHBondContact O-N 3.08Å
139	M	98.9	Very high	98.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	131.6	171.3	177.6	171.7	175.5	0	0	110.9	K142 W143 P154 F159 T161 F162 F163 Y229 A231	M139-K142 WeakPolarHBondContact CE-O 3.45Å; M139-W143 VanDerWaalsContact CE-CA 3.45Å; M139-W143 HydrophobicContact CE-CB 3.87Å; M139-W143 HydrophobicContact CE-CE3 3.83Å; M139-W143 HydrophobicContact SD-CD2 4.42Å; M139-W143 HydrophobicContact SD-CE3 3.59Å; M139-W143 VanDerWaalsContact SD-CE3 3.59Å; M139-W143 HydrophobicContact SD-CZ3 4.12Å; M139-P154 HydrophobicContact SD-CB 3.98Å; M139-P154 HydrophobicContact SD-CG 4.12Å; M139-F159 HydrophobicContact CB-CB 4.36Å; M139-F159 HydrophobicContact CB-CD1 3.65Å; M139-F159 HydrophobicContact CB-CD2 3.86Å; M139-F159 HydrophobicContact CB-CE1 3.77Å; M139-F159 HydrophobicContact CB-CE2 3.96Å; M139-F159 HydrophobicContact CB-CG 3.69Å; M139-F159 HydrophobicContact CB-CZ 3.93Å; M139-F159 HydrophobicContact CG-CE2 4.38Å; M139-F159 HydrophobicContact CG-CZ 4.43Å; M139-F159 HydrophobicContact SD-CD2 4.16Å; M139-F159 HydrophobicContact SD-CE2 3.8Å; M139-F159 HydrophobicContact SD-CZ 4.28Å; M139-T161 PolarHBondContact N-O 2.79Å; M139-F162 HydrophobicContact CB-CD2 4.01Å; M139-F162 HydrophobicContact CE-CD2 4.47Å; M139-F162 HydrophobicContact CE-CE2 3.93Å; M139-F162 HydrophobicContact CG-CD2 3.77Å; M139-F162 HydrophobicContact CG-CE2 4.09Å; M139-F162 CarbonylContact O-C 3.58Å; M139-F162 WeakPolarHBondContact O-CA 3.37Å; M139-F162 HydrophobicContact SD-CD2 4Å; M139-F162 HydrophobicContact SD-CE2 4.03Å; M139-F163 PolarHBondContact O-N 2.83Å; M139-Y229 WeakPolarHBondContact CA-O 3.41Å; M139-Y229 HydrophobicContact CB-CD1 4.39Å; M139-Y229 HydrophobicContact CE-CD1 4Å; M139-Y229 HydrophobicContact CE-CE1 3.69Å; M139-Y229 HydrophobicContact CG-CD1 3.72Å; M139-Y229 HydrophobicContact CG-CE1 4.35Å; M139-Y229 HydrophobicContact SD-CD1 3.75Å; M139-Y229 HydrophobicContact SD-CE1 3.94Å; M139-A231 HydrophobicContact CE-CB 4.35Å
140	V	98.9	Very high	98.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	123.8	171.2	-176.3	0	0	0	0	110.1	F163 F208 K211 I215 L228 Y229 L230 A231	V140-F163 CarbonylContact C-O 3.57Å; V140-F163 VanDerWaalsContact CA-O 3.22Å; V140-F163 WeakPolarHBondContact CA-O 3.47Å; V140-F163 HydrophobicContact CG1-CD1 4.33Å; V140-F208 HydrophobicContact CG1-CB 3.66Å; V140-F208 HydrophobicContact CG1-CD1 3.98Å; V140-F208 HydrophobicContact CG1-CG 4Å; V140-K211 HydrophobicContact CG1-CB 4.13Å; V140-K211 HydrophobicContact CG1-CG 4.41Å; V140-K211 HydrophobicContact CG2-CB 4.45Å; V140-K211 HydrophobicContact CG2-CG 4.08Å; V140-I215 HydrophobicContact CG2-CD1 3.58Å; V140-L228 HydrophobicContact CG2-CD1 4.07Å; V140-Y229 PolarHBondContact N-O 2.8Å; V140-L230 HydrophobicContact CB-CD1 3.73Å; V140-L230 HydrophobicContact CG1-CD1 3.85Å; V140-L230 CarbonylContact O-C 3.56Å; V140-L230 WeakPolarHBondContact O-CA 3.37Å; V140-A231 PolarHBondContact O-N 3.34Å
141	G	98.8	Very high	98.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	108.3	-145.4	174.8	0	0	0	0	0	114.8	F162 F163 G164 S165 A231	G141-F162 WeakPolarHBondContact O-CE2 3.28Å; G141-F163 PolarHBondContact N-O 2.93Å; G141-G164 WeakPolarHBondContact O-CA 3.45Å; G141-S165 PolarHBondContact O-N 3.43Å; G141-S165 VanDerWaalsContact O-N 3.15Å; G141-A231 CarbonylContact C-O 3.4Å; G141-A231 VanDerWaalsContact CA-O 3.3Å; G141-A231 WeakPolarHBondContact CA-O 3.33Å
142	K	98.9	Very high	98.1	Very high	1 Å²	1	20.7 Å²	20.7	0%	0.004	11%	0.109	C	C	.	.			trans	-76.9	122.7	-167	173.2	178.3	164.4	176.8	0	113.4	D50 C88 R92 M139 H144 G168 A231	D50-K142 VanDerWaalsContact CG-NZ 3.35Å; D50-K142 IonicContact OD1-NZ 3.73Å; D50-K142 PolarHBondContact OD1-NZ 3Å; D50-K142 WeakPolarHBondContact OD2-CD 3.32Å; D50-K142 WeakPolarHBondContact OD2-CE 3.31Å; D50-K142 IonicContact OD2-NZ 3Å; D50-K142 PolarHBondContact OD2-NZ 3.08Å; C88-K142 PolarHBondContact SG-NZ 2.73Å; C88-K142 VanDerWaalsContact SG-NZ 3.38Å; R92-K142 PolarHBondContact NH1-O 2.77Å; M139-K142 WeakPolarHBondContact CE-O 3.45Å; K142-H144 WeakPolarHBondContact CE-ND1 3.36Å; K142-H144 HydrophobicContact CG-CB 4.08Å; K142-G168 VanDerWaalsContact CE-O 3.3Å; K142-G168 WeakPolarHBondContact CE-O 3.47Å; K142-G168 PolarHBondContact NZ-O 3.31Å; K142-A231 PolarHBondContact N-O 3.39Å; K142-A231 WeakPolarHBondContact O-CB 3.26Å
143	W	98.9	Very high	98.2	Very high	1 Å²	1	14.9 Å²	14.9	0%	0.004	8%	0.082	C	C	.	.			trans	-82.5	-72.1	174.4	-178.1	-134.9	0	0	0	113.1	M96 M139 L145 G146 C152 P154 R157 F159 S165 L166	M96-W143 HydrophobicContact CG-CH2 4.43Å; M96-W143 HydrophobicContact CG-CZ3 4.19Å; M96-W143 HydrophobicContact SD-CZ3 4.3Å; M139-W143 VanDerWaalsContact CE-CA 3.45Å; M139-W143 HydrophobicContact CE-CB 3.87Å; M139-W143 HydrophobicContact CE-CE3 3.83Å; M139-W143 HydrophobicContact SD-CD2 4.42Å; M139-W143 HydrophobicContact SD-CE3 3.59Å; M139-W143 VanDerWaalsContact SD-CE3 3.59Å; M139-W143 HydrophobicContact SD-CZ3 4.12Å; W143-L145 HydrophobicContact CD2-CB 4.01Å; W143-L145 HydrophobicContact CD2-CD1 4.5Å; W143-L145 HydrophobicContact CD2-CG 4.37Å; W143-L145 HydrophobicContact CE3-CB 4.48Å; W143-L145 HydrophobicContact CE3-CD1 4.14Å; W143-L145 HydrophobicContact CE3-CG 4.4Å; W143-L145 HydrophobicContact CH2-CB 4.27Å; W143-L145 HydrophobicContact CH2-CD1 3.66Å; W143-L145 HydrophobicContact CH2-CG 4.44Å; W143-L145 HydrophobicContact CZ2-CB 3.75Å; W143-L145 HydrophobicContact CZ2-CD1 4.03Å; W143-L145 HydrophobicContact CZ2-CG 4.4Å; W143-L145 HydrophobicContact CZ3-CD1 3.72Å; W143-L145 HydrophobicContact CZ3-CG 4.44Å; W143-L145 PolarHBondContact O-N 2.83Å; W143-G146 PolarHBondContact NE1-O 3.12Å; W143-C152 PolarHBondContact NE1-O 2.97Å; W143-P154 HydrophobicContact CB-CG 4.05Å; W143-P154 HydrophobicContact CD2-CB 4.47Å; W143-P154 HydrophobicContact CD2-CG 3.74Å; W143-P154 HydrophobicContact CE3-CG 4.23Å; W143-P154 HydrophobicContact CG-CG 3.67Å; W143-R157 HydrophobicContact CH2-CB 4.2Å; W143-R157 HydrophobicContact CZ2-CB 4.16Å; W143-R157 HydrophobicContact CZ2-CG 4.15Å; W143-F159 HydrophobicContact CZ3-CE2 4.03Å; W143-S165 PolarHBondContact N-O 3.12Å; W143-L166 HydrophobicContact CB-CD2 4.37Å
144	H	98.8	Very high	98.3	Very high	8 Å²	8	14.1 Å²	14.1	4%	0.037	8%	0.076	C	C	.	.			trans	58.9	27.1	176.9	-159.8	-161.1	0	0	0	115.9	C88 S89 I111 K142 L166 G168	C88-H144 VanDerWaalsContact CB-ND1 3.31Å; C88-H144 WeakPolarHBondContact CB-ND1 3.31Å; S89-H144 WeakPolarHBondContact CB-O 3.49Å; S89-H144 PolarHBondContact OG-CD2 3.43Å; S89-H144 PolarHBondContact OG-CE1 2.76Å; S89-H144 VanDerWaalsContact OG-CE1 3.29Å; S89-H144 PolarHBondContact OG-ND1 2.64Å; S89-H144 PolarHBondContact OG-NE2 3.41Å; S89-H144 PolarHBondContact OG-O 2.76Å; I111-H144 PolarHBondContact O-NE2 2.81Å; K142-H144 WeakPolarHBondContact CE-ND1 3.36Å; K142-H144 HydrophobicContact CG-CB 4.08Å; H144-L166 WeakPolarHBondContact CA-O 3.44Å; H144-L166 PolarHBondContact N-O 3.35Å; H144-G168 WeakPolarHBondContact CD2-CA 3.48Å; H144-G168 PolarHBondContact CD2-N 3.07Å; H144-G168 WeakPolarHBondContact CE1-CA 3.34Å; H144-G168 VanDerWaalsContact CG-CA 3.41Å; H144-G168 WeakPolarHBondContact ND1-CA 3.49Å; H144-G168 VanDerWaalsContact NE2-CA 3.28Å; H144-G168 WeakPolarHBondContact NE2-CA 3.46Å
145	L	98.8	Very high	98.4	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.069	C	C	.	.	S	Bend	trans	-112	22.9	172.7	-62.1	-178.3	0	0	0	113	R92 M96 C118 L119 W143	R92-L145 HydrophobicContact CB-CD1 4.29Å; R92-L145 HydrophobicContact CB-CD2 3.79Å; R92-L145 HydrophobicContact CB-CG 4.13Å; M96-L145 HydrophobicContact CB-CD1 4.12Å; M96-L145 HydrophobicContact CG-CD1 3.63Å; C118-L145 CarbonylContact C-O 3.59Å; C118-L145 WeakPolarHBondContact CA-O 3.5Å; C118-L145 WeakPolarHBondContact CB-O 3.34Å; L119-L145 HydrophobicContact CB-CB 4.18Å; L119-L145 HydrophobicContact CD2-CD1 4.32Å; L119-L145 PolarHBondContact N-O 3.18Å; W143-L145 HydrophobicContact CD2-CB 4.01Å; W143-L145 HydrophobicContact CD2-CD1 4.5Å; W143-L145 HydrophobicContact CD2-CG 4.37Å; W143-L145 HydrophobicContact CE3-CB 4.48Å; W143-L145 HydrophobicContact CE3-CD1 4.14Å; W143-L145 HydrophobicContact CE3-CG 4.4Å; W143-L145 HydrophobicContact CH2-CB 4.27Å; W143-L145 HydrophobicContact CH2-CD1 3.66Å; W143-L145 HydrophobicContact CH2-CG 4.44Å; W143-L145 HydrophobicContact CZ2-CB 3.75Å; W143-L145 HydrophobicContact CZ2-CD1 4.03Å; W143-L145 HydrophobicContact CZ2-CG 4.4Å; W143-L145 HydrophobicContact CZ3-CD1 3.72Å; W143-L145 HydrophobicContact CZ3-CG 4.44Å; W143-L145 PolarHBondContact O-N 2.83Å
146	G	98.1	Very high	98.4	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.01	9%	0.085	C	C	.	.			trans	86	153.8	176.7	0	0	0	0	0	113.4	N117 W143 C152	N117-G146 WeakPolarHBondContact O-CA 3.35Å; W143-G146 PolarHBondContact NE1-O 3.12Å; G146-C152 WeakPolarHBondContact O-CB 3.42Å; G146-C152 VanDerWaalsContact O-O 3.05Å
147	F	97.7	Very high	98.4	Very high	7 Å²	7	17.1 Å²	17.1	3%	0.031	8%	0.081	C	C	.	.			trans	-150.6	7.5	-171.1	60.4	-85.8	0	0	0	112.9	A113 K149 L153 L166 L167 W519 P521 W522	A113-F147 VanDerWaalsContact O-CZ 3.25Å; A113-F147 WeakPolarHBondContact O-CZ 3.15Å; F147-K149 PolarHBondContact O-N 3.04Å; F147-K149 VanDerWaalsContact O-N 3.12Å; F147-L153 HydrophobicContact CB-CD2 4Å; F147-L166 HydrophobicContact CB-CB 4.08Å; F147-L166 HydrophobicContact CB-CD1 3.82Å; F147-L166 HydrophobicContact CB-CG 4.39Å; F147-L166 HydrophobicContact CD1-CB 4.01Å; F147-L166 HydrophobicContact CD2-CD1 4.45Å; F147-L166 HydrophobicContact CG-CB 4.03Å; F147-L166 HydrophobicContact CG-CD1 4.18Å; F147-L167 HydrophobicContact CE1-CD2 3.4Å; F147-L167 VanDerWaalsContact CE1-CD2 3.4Å; F147-L167 HydrophobicContact CE1-CG 4.15Å; F147-L167 HydrophobicContact CZ-CD2 3.59Å; F147-L167 HydrophobicContact CZ-CG 4.34Å; F147-W519 HydrophobicContact CE2-CB 4.47Å; F147-W519 HydrophobicContact CZ-CE3 4.33Å; F147-P521 VanDerWaalsContact O-CA 3.23Å; F147-P521 WeakPolarHBondContact O-CA 3.41Å; F147-P521 WeakPolarHBondContact O-CB 3.47Å; F147-P521 WeakPolarHBondContact O-CG 3.31Å; F147-W522 HydrophobicContact CD2-CZ3 4.17Å; F147-W522 HydrophobicContact CE2-CE3 4.3Å; F147-W522 AromaticContact CE2-CZ3 3.64Å; F147-W522 HydrophobicContact CE2-CZ3 3.64Å; F147-W522 HydrophobicContact CZ-CZ3 4.11Å
148	Y	97.4	Very high	98.3	Very high	29 Å²	29	17.6 Å²	17.6	11%	0.114	9%	0.086	C	C	.	.	S	Bend	trans	-63.2	-24	-172.4	82.1	-72.8	0	0	0	113.9	P116 C118 C152 W522 Y523	P116-Y148 VanDerWaalsContact CA-CD2 3.47Å; P116-Y148 HydrophobicContact CB-CD2 3.53Å; P116-Y148 HydrophobicContact CB-CE2 3.87Å; P116-Y148 HydrophobicContact CB-CG 4.12Å; C118-Y148 HydrophobicContact CB-CD1 4.13Å; C118-Y148 HydrophobicContact CB-CE1 4.08Å; Y148-C152 VanDerWaalsContact CE1-SG 3.52Å; Y148-W522 PolarHBondContact O-N 3.04Å; Y148-Y523 AromaticContact CD2-CD2 3.54Å; Y148-Y523 HydrophobicContact CD2-CD2 3.54Å; Y148-Y523 HydrophobicContact CD2-CE2 4.02Å; Y148-Y523 AromaticContact CD2-CG 3.8Å; Y148-Y523 HydrophobicContact CD2-CG 3.8Å; Y148-Y523 HydrophobicContact CE2-CD1 4.38Å; Y148-Y523 HydrophobicContact CE2-CD2 4.19Å; Y148-Y523 HydrophobicContact CE2-CG 4.08Å; Y148-Y523 PolarHBondContact O-N 3.31Å
149	K	96.8	Very high	98.3	Very high	51 Å²	51	17 Å²	17	22%	0.222	8%	0.083	C	C	.	.	B	Isolated β-bridge	trans	-121.5	153.9	171.4	-72.9	-178.7	175	-157.9	0	110.1	F147 G151 C152	F147-K149 PolarHBondContact O-N 3.04Å; F147-K149 VanDerWaalsContact O-N 3.12Å; K149-G151 VanDerWaalsContact C-N 3.3Å; K149-G151 PolarHBondContact O-N 3.2Å; K149-C152 VanDerWaalsContact O-CB 3.28Å; K149-C152 WeakPolarHBondContact O-CB 3.39Å; K149-C152 PolarHBondContact O-N 2.97Å
150	R	96.8	Very high	98.3	Very high	104 Å²	104	20.1 Å²	20.1	39%	0.392	10%	0.1	S	C	.	.	G	3₁₀ helix	trans	-55.1	-43	176	-170.3	177.8	177.8	-119.5	-3.8	112.5	C152 L153 Q156 E192	R150-C152 PolarHBondContact O-N 3.07Å; R150-L153 HydrophobicContact CG-CD1 4.23Å; R150-L153 WeakPolarHBondContact O-CB 3.47Å; R150-L153 WeakPolarHBondContact O-CG 3.23Å; R150-L153 PolarHBondContact O-N 3.44Å; R150-Q156 HydrophobicContact CG-CG 4.19Å; R150-Q156 WeakPolarHBondContact O-CG 3.43Å; R150-E192 IonicContact CZ-OE2 2.7Å; R150-E192 IonicContact NE-OE1 3.36Å; R150-E192 IonicContact NE-OE2 3.83Å; R150-E192 PolarHBondContact NE-OE2 3.44Å; R150-E192 IonicContact NH2-OE1 3.83Å; R150-E192 IonicContact NH2-OE2 2.64Å; R150-E192 PolarHBondContact NH2-OE2 2.9Å
151	G	97.6	Very high	98.3	Very high	19 Å²	19	22.9 Å²	22.9	20%	0.196	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-59.5	-13.9	176.5	0	0	0	0	0	115.2	L121 K149 R157	L121-G151 VanDerWaalsContact CD2-O 3.26Å; L121-G151 WeakPolarHBondContact CD2-O 3.37Å; K149-G151 VanDerWaalsContact C-N 3.3Å; K149-G151 PolarHBondContact O-N 3.2Å; G151-R157 VanDerWaalsContact O-CD 3.3Å; G151-R157 WeakPolarHBondContact O-CD 3.38Å
152	C	98.3	Very high	98.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-87.4	-10.8	175.9	-52.9	0	0	0	0	113.3	C118 W143 G146 Y148 K149 R150	C118-C152 HydrophobicContact CB-CB 3.39Å; C118-C152 WeakPolarHBondContact CB-SG 3.48Å; C118-C152 WeakPolarHBondContact SG-CB 3.3Å; C118-C152 CovalentContact SG-SG 2.05Å; C118-C152 PolarHBondContact SG-SG 3.47Å; W143-C152 PolarHBondContact NE1-O 2.97Å; G146-C152 WeakPolarHBondContact O-CB 3.42Å; G146-C152 VanDerWaalsContact O-O 3.05Å; Y148-C152 VanDerWaalsContact CE1-SG 3.52Å; K149-C152 VanDerWaalsContact O-CB 3.28Å; K149-C152 WeakPolarHBondContact O-CB 3.39Å; K149-C152 PolarHBondContact O-N 2.97Å; R150-C152 PolarHBondContact O-N 3.07Å
153	L	98.7	Very high	98.3	Very high	7 Å²	7	23.3 Å²	23.3	4%	0.037	12%	0.119	C	C	.	.	S	Bend	trans	-70.7	150.5	-177.6	-62.2	180	0	0	0	111.9	F147 R150 T155 Q156 R157 L166 E192 P521	F147-L153 HydrophobicContact CB-CD2 4Å; R150-L153 HydrophobicContact CG-CD1 4.23Å; R150-L153 WeakPolarHBondContact O-CB 3.47Å; R150-L153 WeakPolarHBondContact O-CG 3.23Å; R150-L153 PolarHBondContact O-N 3.44Å; L153-T155 VanDerWaalsContact C-N 3.26Å; L153-T155 PolarHBondContact O-N 3.39Å; L153-Q156 HydrophobicContact CB-CG 4.46Å; L153-Q156 CarbonylContact O-C 3.5Å; L153-Q156 WeakPolarHBondContact O-CA 3.46Å; L153-Q156 PolarHBondContact O-N 3.49Å; L153-R157 WeakPolarHBondContact O-CG 3.21Å; L153-R157 PolarHBondContact O-N 2.95Å; L153-L166 HydrophobicContact CD2-CD1 3.73Å; L153-L166 HydrophobicContact CD2-CD2 4Å; L153-E192 HydrophobicContact CD1-CB 4.25Å; L153-E192 HydrophobicContact CD1-CG 3.88Å; L153-P521 HydrophobicContact CD1-CG 4.08Å; L153-P521 HydrophobicContact CD2-CG 4.1Å; L153-P521 HydrophobicContact CG-CG 4.27Å
154	P	98.8	Very high	98.3	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-54.5	-39.8	-179.5	-25.9	34.2	0	0	0	113.8	M139 W143 Q156 R157 F159 F162 L166	M139-P154 HydrophobicContact SD-CB 3.98Å; M139-P154 HydrophobicContact SD-CG 4.12Å; W143-P154 HydrophobicContact CB-CG 4.05Å; W143-P154 HydrophobicContact CD2-CB 4.47Å; W143-P154 HydrophobicContact CD2-CG 3.74Å; W143-P154 HydrophobicContact CE3-CG 4.23Å; W143-P154 HydrophobicContact CG-CG 3.67Å; P154-Q156 PolarHBondContact O-N 2.85Å; P154-R157 CarbonylContact O-C 3.45Å; P154-R157 WeakPolarHBondContact O-CA 3.49Å; P154-R157 PolarHBondContact O-N 3.48Å; P154-F159 HydrophobicContact CB-CD2 3.96Å; P154-F159 PolarHBondContact O-N 3.22Å; P154-F162 HydrophobicContact CB-CB 4.09Å; P154-F162 HydrophobicContact CB-CD1 4.35Å; P154-F162 HydrophobicContact CB-CD2 3.93Å; P154-F162 HydrophobicContact CB-CE2 4.49Å; P154-F162 HydrophobicContact CB-CG 3.86Å; P154-F162 HydrophobicContact CG-CD1 3.91Å; P154-F162 HydrophobicContact CG-CD2 3.79Å; P154-F162 HydrophobicContact CG-CE1 3.99Å; P154-F162 HydrophobicContact CG-CE2 3.88Å; P154-F162 HydrophobicContact CG-CG 3.81Å; P154-F162 HydrophobicContact CG-CZ 3.98Å; P154-L166 HydrophobicContact CG-CD2 4.29Å
155	T	98.6	Very high	98.3	Very high	33 Å²	33	23.5 Å²	23.5	20%	0.202	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-62.1	-26.6	176.9	46.6	0	0	0	0	113.4	L153 F159 F162 E192	L153-T155 VanDerWaalsContact C-N 3.26Å; L153-T155 PolarHBondContact O-N 3.39Å; T155-F159 WeakPolarHBondContact CA-O 3.38Å; T155-F162 HydrophobicContact CG2-CB 4.03Å; T155-E192 HydrophobicContact CG2-CG 4.25Å; T155-E192 VanDerWaalsContact OG1-CG 3.28Å; T155-E192 WeakPolarHBondContact OG1-CG 3.3Å; T155-E192 PolarHBondContact OG1-OE1 3.33Å
156	Q	98.4	Very high	98.3	Very high	76 Å²	76	23.5 Å²	23.5	36%	0.355	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-93.7	0.8	175.1	-57.8	-56.3	-48.4	0	0	112.5	R150 L153 P154 E192	R150-Q156 HydrophobicContact CG-CG 4.19Å; R150-Q156 WeakPolarHBondContact O-CG 3.43Å; L153-Q156 HydrophobicContact CB-CG 4.46Å; L153-Q156 CarbonylContact O-C 3.5Å; L153-Q156 WeakPolarHBondContact O-CA 3.46Å; L153-Q156 PolarHBondContact O-N 3.49Å; P154-Q156 PolarHBondContact O-N 2.85Å; Q156-E192 PolarHBondContact NE2-OE1 3.17Å
157	R	98.5	Very high	98.3	Very high	5 Å²	5	23.7 Å²	23.7	2%	0.019	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.1	32.4	-176	-61.7	-59	-68.2	-99.8	15.3	112.3	L119 P120 N123 T125 P127 W143 G151 L153 P154	L119-R157 VanDerWaalsContact CD2-NH2 3.31Å; L119-R157 PolarHBondContact O-NH1 3.26Å; P120-R157 PolarHBondContact O-NH2 3.46Å; N123-R157 PolarHBondContact O-NH2 3.24Å; T125-R157 HydrophobicContact CG2-CB 4.39Å; T125-R157 PolarHBondContact OG1-O 3.44Å; P127-R157 VanDerWaalsContact CG-O 3.23Å; P127-R157 WeakPolarHBondContact CG-O 3.28Å; W143-R157 HydrophobicContact CH2-CB 4.2Å; W143-R157 HydrophobicContact CZ2-CB 4.16Å; W143-R157 HydrophobicContact CZ2-CG 4.15Å; G151-R157 VanDerWaalsContact O-CD 3.3Å; G151-R157 WeakPolarHBondContact O-CD 3.38Å; L153-R157 WeakPolarHBondContact O-CG 3.21Å; L153-R157 PolarHBondContact O-N 2.95Å; P154-R157 CarbonylContact O-C 3.45Å; P154-R157 WeakPolarHBondContact O-CA 3.49Å; P154-R157 PolarHBondContact O-N 3.48Å
158	G	98.4	Very high	98.2	Very high	10 Å²	10	23.9 Å²	23.9	10%	0.103	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.1	-11.9	167.9	0	0	0	0	0	115.6	Q128 T137	Q128-G158 VanDerWaalsContact CG-CA 3.47Å; T137-G158 PolarHBondContact OG1-O 2.92Å
159	F	98.9	Very high	98.1	Very high	3 Å²	3	23.5 Å²	23.5	1%	0.013	13%	0.128	C	C	.	.			trans	-83.7	127.9	177.7	-67.2	-72.3	0	0	0	111.6	M96 P127 T137 M139 W143 P154 T155 F227 Y229	M96-F159 HydrophobicContact CE-CZ 4.35Å; M96-F159 HydrophobicContact SD-CE2 4.43Å; M96-F159 HydrophobicContact SD-CZ 4.3Å; P127-F159 HydrophobicContact CB-CD1 3.84Å; P127-F159 HydrophobicContact CB-CD2 4.34Å; P127-F159 HydrophobicContact CB-CE1 3.71Å; P127-F159 HydrophobicContact CB-CE2 4.23Å; P127-F159 HydrophobicContact CB-CG 4.16Å; P127-F159 HydrophobicContact CB-CZ 3.92Å; P127-F159 HydrophobicContact CG-CD1 4.33Å; P127-F159 HydrophobicContact CG-CD2 4Å; P127-F159 HydrophobicContact CG-CE1 4.02Å; P127-F159 HydrophobicContact CG-CE2 3.67Å; P127-F159 HydrophobicContact CG-CG 4.34Å; P127-F159 HydrophobicContact CG-CZ 3.67Å; T137-F159 WeakPolarHBondContact OG1-CA 3.2Å; M139-F159 HydrophobicContact CB-CB 4.36Å; M139-F159 HydrophobicContact CB-CD1 3.65Å; M139-F159 HydrophobicContact CB-CD2 3.86Å; M139-F159 HydrophobicContact CB-CE1 3.77Å; M139-F159 HydrophobicContact CB-CE2 3.96Å; M139-F159 HydrophobicContact CB-CG 3.69Å; M139-F159 HydrophobicContact CB-CZ 3.93Å; M139-F159 HydrophobicContact CG-CE2 4.38Å; M139-F159 HydrophobicContact CG-CZ 4.43Å; M139-F159 HydrophobicContact SD-CD2 4.16Å; M139-F159 HydrophobicContact SD-CE2 3.8Å; M139-F159 HydrophobicContact SD-CZ 4.28Å; W143-F159 HydrophobicContact CZ3-CE2 4.03Å; P154-F159 HydrophobicContact CB-CD2 3.96Å; P154-F159 PolarHBondContact O-N 3.22Å; T155-F159 WeakPolarHBondContact CA-O 3.38Å; F159-F227 HydrophobicContact CE1-CD1 4.09Å; F159-F227 AromaticContact CE1-CE1 3.67Å; F159-F227 HydrophobicContact CE1-CE1 3.67Å; F159-F227 HydrophobicContact CZ-CE1 4.15Å; F159-Y229 HydrophobicContact CE1-CD1 4.47Å; F159-Y229 HydrophobicContact CE2-CD1 4.42Å; F159-Y229 AromaticContact CZ-CD1 3.76Å; F159-Y229 HydrophobicContact CZ-CD1 3.76Å; F159-Y229 HydrophobicContact CZ-CG 4.22Å
160	D	98.8	Very high	98.1	Very high	66 Å²	66	21.6 Å²	21.6	35%	0.353	12%	0.123	S	C	.	.	S	Bend	trans	-67.8	-38.4	174.2	-60.9	-54.8	0	0	0	111.7	K131 T137	K131-D160 WeakPolarHBondContact CE-OD1 3.21Å; K131-D160 IonicContact NZ-OD1 3.19Å; K131-D160 PolarHBondContact NZ-OD1 3.34Å; T137-D160 PolarHBondContact N-OD2 3.45Å; T137-D160 WeakPolarHBondContact O-CA 3.47Å; T137-D160 WeakPolarHBondContact O-CB 3.41Å; T137-D160 PolarHBondContact O-N 2.93Å; T137-D160 PolarHBondContact OG1-N 3.32Å; T137-D160 PolarHBondContact OG1-OD2 2.84Å
161	T	98.9	Very high	98.2	Very high	58 Å²	58	18.6 Å²	18.6	36%	0.356	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	147	174.3	76.7	0	0	0	0	112.2	T137 H138 M139	T137-T161 PolarHBondContact O-N 3.12Å; H138-T161 PolarHBondContact ND1-OG1 3.28Å; M139-T161 PolarHBondContact N-O 2.79Å
162	F	98.9	Very high	98.2	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.018	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	137	176	173.5	-123.7	0	0	0	110.4	M139 G141 P154 T155 G164 L166 Y189 G191	M139-F162 HydrophobicContact CB-CD2 4.01Å; M139-F162 HydrophobicContact CE-CD2 4.47Å; M139-F162 HydrophobicContact CE-CE2 3.93Å; M139-F162 HydrophobicContact CG-CD2 3.77Å; M139-F162 HydrophobicContact CG-CE2 4.09Å; M139-F162 CarbonylContact O-C 3.58Å; M139-F162 WeakPolarHBondContact O-CA 3.37Å; M139-F162 HydrophobicContact SD-CD2 4Å; M139-F162 HydrophobicContact SD-CE2 4.03Å; G141-F162 WeakPolarHBondContact O-CE2 3.28Å; P154-F162 HydrophobicContact CB-CB 4.09Å; P154-F162 HydrophobicContact CB-CD1 4.35Å; P154-F162 HydrophobicContact CB-CD2 3.93Å; P154-F162 HydrophobicContact CB-CE2 4.49Å; P154-F162 HydrophobicContact CB-CG 3.86Å; P154-F162 HydrophobicContact CG-CD1 3.91Å; P154-F162 HydrophobicContact CG-CD2 3.79Å; P154-F162 HydrophobicContact CG-CE1 3.99Å; P154-F162 HydrophobicContact CG-CE2 3.88Å; P154-F162 HydrophobicContact CG-CG 3.81Å; P154-F162 HydrophobicContact CG-CZ 3.98Å; T155-F162 HydrophobicContact CG2-CB 4.03Å; F162-G164 VanDerWaalsContact CZ-C 3.48Å; F162-L166 HydrophobicContact CE1-CD2 3.67Å; F162-L166 HydrophobicContact CE1-CG 4.47Å; F162-L166 HydrophobicContact CZ-CD2 3.97Å; F162-Y189 HydrophobicContact CE1-CG 4.41Å; F162-G191 WeakPolarHBondContact CD1-O 3.4Å; F162-G191 PolarHBondContact O-N 3.29Å
163	F	98.9	Very high	98.2	Very high	6 Å²	6	21.2 Å²	21.2	3%	0.026	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	114.5	166.7	-178.3	-90.4	0	0	0	110.4	M139 V140 G141 L188 Y189 E190 A195 Q198 M207 F208 K211	M139-F163 PolarHBondContact O-N 2.83Å; V140-F163 CarbonylContact C-O 3.57Å; V140-F163 VanDerWaalsContact CA-O 3.22Å; V140-F163 WeakPolarHBondContact CA-O 3.47Å; V140-F163 HydrophobicContact CG1-CD1 4.33Å; G141-F163 PolarHBondContact N-O 2.93Å; F163-L188 HydrophobicContact CE1-CD1 4.33Å; F163-L188 HydrophobicContact CZ-CD1 4.38Å; F163-L188 HydrophobicContact CZ-CD2 4.22Å; F163-Y189 CarbonylContact C-O 3.55Å; F163-Y189 VanDerWaalsContact CA-O 3.26Å; F163-Y189 WeakPolarHBondContact CA-O 3.49Å; F163-Y189 WeakPolarHBondContact CD2-O 3.22Å; F163-E190 HydrophobicContact CD2-CB 3.89Å; F163-E190 HydrophobicContact CD2-CG 4.21Å; F163-E190 HydrophobicContact CE2-CB 4.33Å; F163-A195 HydrophobicContact CE2-CB 4.06Å; F163-Q198 HydrophobicContact CE2-CB 3.97Å; F163-Q198 HydrophobicContact CE2-CG 4.01Å; F163-Q198 HydrophobicContact CZ-CB 4.18Å; F163-M207 HydrophobicContact CE1-CG 3.74Å; F163-M207 HydrophobicContact CE1-SD 3.62Å; F163-M207 HydrophobicContact CZ-CG 3.91Å; F163-M207 HydrophobicContact CZ-SD 3.52Å; F163-M207 VanDerWaalsContact CZ-SD 3.52Å; F163-F208 HydrophobicContact CD1-CD1 4.04Å; F163-F208 HydrophobicContact CD1-CE1 4.31Å; F163-F208 AromaticContact CE1-CD1 3.98Å; F163-F208 HydrophobicContact CE1-CD1 3.98Å; F163-F208 HydrophobicContact CE1-CE1 4.15Å; F163-K211 HydrophobicContact CB-CD 4.25Å; F163-K211 HydrophobicContact CB-CG 3.74Å; F163-K211 HydrophobicContact CD1-CB 3.96Å; F163-K211 HydrophobicContact CD1-CD 4.48Å; F163-K211 HydrophobicContact CD1-CG 3.82Å; F163-K211 HydrophobicContact CD2-CD 4.36Å; F163-K211 HydrophobicContact CD2-CG 4.48Å; F163-K211 HydrophobicContact CE1-CB 4.43Å; F163-K211 HydrophobicContact CG-CB 4.39Å; F163-K211 HydrophobicContact CG-CD 4.1Å; F163-K211 HydrophobicContact CG-CG 3.75Å
164	G	98.4	Very high	98.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.2	-156	-178.2	0	0	0	0	0	114.5	G141 F162 L188 Y189	G141-G164 WeakPolarHBondContact O-CA 3.45Å; F162-G164 VanDerWaalsContact CZ-C 3.48Å; G164-L188 CarbonylContact O-C 3.43Å; G164-L188 WeakPolarHBondContact O-CA 3.41Å; G164-Y189 PolarHBondContact N-O 2.77Å; G164-Y189 PolarHBondContact O-N 3.42Å
165	S	98.4	Very high	98.1	Very high	13 Å²	13	23.5 Å²	23.5	9%	0.091	13%	0.134	C	C	.	.			trans	-108.5	144.9	-173.7	57.6	0	0	0	0	111.9	G141 W143 D187	G141-S165 PolarHBondContact O-N 3.43Å; G141-S165 VanDerWaalsContact O-N 3.15Å; W143-S165 PolarHBondContact N-O 3.12Å; S165-D187 WeakPolarHBondContact CA-O 3.23Å; S165-D187 VanDerWaalsContact CB-O 3.22Å; S165-D187 WeakPolarHBondContact CB-O 3.46Å; S165-D187 WeakPolarHBondContact CB-OD2 3.39Å
166	L	98.7	Very high	98	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	14%	0.143	C	C	.	.	S	Bend	trans	-88.2	-29.7	-180	-61.3	177.3	0	0	0	112.1	W143 H144 F147 L153 P154 F162 D187 Y189	W143-L166 HydrophobicContact CB-CD2 4.37Å; H144-L166 WeakPolarHBondContact CA-O 3.44Å; H144-L166 PolarHBondContact N-O 3.35Å; F147-L166 HydrophobicContact CB-CB 4.08Å; F147-L166 HydrophobicContact CB-CD1 3.82Å; F147-L166 HydrophobicContact CB-CG 4.39Å; F147-L166 HydrophobicContact CD1-CB 4.01Å; F147-L166 HydrophobicContact CD2-CD1 4.45Å; F147-L166 HydrophobicContact CG-CB 4.03Å; F147-L166 HydrophobicContact CG-CD1 4.18Å; L153-L166 HydrophobicContact CD2-CD1 3.73Å; L153-L166 HydrophobicContact CD2-CD2 4Å; P154-L166 HydrophobicContact CG-CD2 4.29Å; F162-L166 HydrophobicContact CE1-CD2 3.67Å; F162-L166 HydrophobicContact CE1-CG 4.47Å; F162-L166 HydrophobicContact CZ-CD2 3.97Å; L166-D187 WeakPolarHBondContact CB-OD1 3.43Å; L166-D187 PolarHBondContact N-OD1 2.86Å; L166-D187 PolarHBondContact N-OD2 2.93Å; L166-Y189 HydrophobicContact CD1-CD2 3.78Å; L166-Y189 HydrophobicContact CD1-CE1 4.17Å; L166-Y189 HydrophobicContact CD1-CE2 3.35Å; L166-Y189 HydrophobicContact CD1-CG 4.34Å; L166-Y189 HydrophobicContact CG-CD2 3.77Å; L166-Y189 HydrophobicContact CG-CE2 3.77Å; L166-Y189 HydrophobicContact CG-CG 4.44Å
167	L	98.1	Very high	97.9	Very high	5 Å²	5	25 Å²	25	3%	0.026	14%	0.135	C	C	.	.	S	Bend	trans	-84.2	176.7	-174.3	-64.4	160.4	0	0	0	114	A113 F147 S169 K177 D187 W519	A113-L167 VanDerWaalsContact CA-CD2 3.43Å; A113-L167 HydrophobicContact CB-CD2 3.26Å; F147-L167 HydrophobicContact CE1-CD2 3.4Å; F147-L167 VanDerWaalsContact CE1-CD2 3.4Å; F147-L167 HydrophobicContact CE1-CG 4.15Å; F147-L167 HydrophobicContact CZ-CD2 3.59Å; F147-L167 HydrophobicContact CZ-CG 4.34Å; L167-S169 VanDerWaalsContact C-N 3.34Å; L167-K177 HydrophobicContact CD1-CB 3.73Å; L167-K177 HydrophobicContact CD1-CG 3.71Å; L167-D187 WeakPolarHBondContact CB-OD2 3.45Å; L167-D187 HydrophobicContact CD1-CB 3.73Å; L167-D187 WeakPolarHBondContact CD1-OD2 3.43Å; L167-D187 HydrophobicContact CG-CB 4.46Å; L167-D187 VanDerWaalsContact CG-OD2 3.28Å; L167-D187 WeakPolarHBondContact CG-OD2 3.42Å; L167-D187 PolarHBondContact N-OD2 2.93Å; L167-W519 HydrophobicContact CD1-CB 3.78Å; L167-W519 VanDerWaalsContact CD1-CD1 3.43Å; L167-W519 HydrophobicContact CD1-CD2 3.89Å; L167-W519 HydrophobicContact CD1-CG 3.43Å; L167-W519 VanDerWaalsContact CD1-CG 3.43Å; L167-W519 HydrophobicContact CG-CB 4.48Å; L167-W519 HydrophobicContact CG-CG 4.49Å
168	G	95.9	Very high	97.7	Very high	11 Å²	11	28 Å²	28	11%	0.113	16%	0.155	C	C	.	.	S	Bend	trans	-76	-13.6	178.7	0	0	0	0	0	116.4	K142 H144	K142-G168 VanDerWaalsContact CE-O 3.3Å; K142-G168 WeakPolarHBondContact CE-O 3.47Å; K142-G168 PolarHBondContact NZ-O 3.31Å; H144-G168 WeakPolarHBondContact CD2-CA 3.48Å; H144-G168 PolarHBondContact CD2-N 3.07Å; H144-G168 WeakPolarHBondContact CE1-CA 3.34Å; H144-G168 VanDerWaalsContact CG-CA 3.41Å; H144-G168 WeakPolarHBondContact ND1-CA 3.49Å; H144-G168 VanDerWaalsContact NE2-CA 3.28Å; H144-G168 WeakPolarHBondContact NE2-CA 3.46Å
169	S	96.4	Very high	97.4	Very high	21 Å²	21	31 Å²	31	15%	0.147	17%	0.167	C	C	.	.			trans	-172.7	160.2	-175.2	59.4	0	0	0	0	109.1	L167 K177	L167-S169 VanDerWaalsContact C-N 3.34Å; S169-K177 WeakPolarHBondContact O-CD 3.07Å; S169-K177 WeakPolarHBondContact OG-CE 3.49Å; S169-K177 PolarHBondContact OG-NZ 2.91Å
170	G	96.6	Very high	96.9	Very high	11 Å²	11	32.2 Å²	32.2	11%	0.113	18%	0.18	C	C	.	.			trans	-164.1	176.9	172	0	0	0	0	0	110.3	Q233 P238	G170-Q233 PolarHBondContact O-NE2 3.43Å; G170-P238 WeakPolarHBondContact O-CD 3.16Å
171	D	98.1	Very high	96.3	Very high	41 Å²	41	35.9 Å²	35.9	22%	0.219	21%	0.208	C	C	.	.			trans	-68.1	139.7	167.7	-172.3	-92.3	0	0	0	110.5	Y173 S174 H175 Y176 Q240	D171-Y173 VanDerWaalsContact C-N 3.31Å; D171-Y173 PolarHBondContact O-N 2.58Å; D171-Y173 PolarHBondContact OD1-N 3.14Å; D171-S174 WeakPolarHBondContact CB-OG 3.28Å; D171-S174 PolarHBondContact OD1-N 3.09Å; D171-S174 PolarHBondContact OD1-OG 3.33Å; D171-H175 VanDerWaalsContact O-CA 3.3Å; D171-H175 WeakPolarHBondContact O-CA 3.21Å; D171-H175 PolarHBondContact O-N 2.7Å; D171-Y176 PolarHBondContact N-O 3.41Å; D171-Q240 PolarHBondContact OD2-NE2 3.37Å; D171-Q240 PolarHBondContact OD2-OE1 3.28Å
172	Y	98.5	Very high	95.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.2	-176.1	-84	-99.8	0	0	0	114.5	H175 Y203 S204 Q233 A234 H236 P238 Q240 M263	Y172-H175 PolarHBondContact O-NE2 2.68Å; Y172-Y203 AromaticContact CD1-CD2 3.93Å; Y172-Y203 HydrophobicContact CD1-CD2 3.93Å; Y172-Y203 HydrophobicContact CD1-CE1 4.1Å; Y172-Y203 AromaticContact CD1-CE2 3.18Å; Y172-Y203 HydrophobicContact CD1-CE2 3.18Å; Y172-Y203 AromaticContact CD1-CZ 3.28Å; Y172-Y203 WeakPolarHBondContact CD1-OH 3.22Å; Y172-Y203 HydrophobicContact CD2-CE2 4.44Å; Y172-Y203 HydrophobicContact CE1-CE1 4.47Å; Y172-Y203 HydrophobicContact CE1-CE2 4.05Å; Y172-Y203 AromaticContact CE1-CZ 3.7Å; Y172-Y203 WeakPolarHBondContact CE1-OH 3.44Å; Y172-Y203 HydrophobicContact CG-CD2 4.11Å; Y172-Y203 AromaticContact CG-CE2 3.43Å; Y172-Y203 HydrophobicContact CG-CE2 3.43Å; Y172-Y203 VanDerWaalsContact CG-CE2 3.43Å; Y172-Y203 AromaticContact CG-CZ 3.99Å; Y172-Y203 CarbonylContact O-C 3.53Å; Y172-Y203 WeakPolarHBondContact O-CA 3.22Å; Y172-S204 WeakPolarHBondContact CD1-OG 3.48Å; Y172-S204 PolarHBondContact O-N 2.88Å; Y172-Q233 HydrophobicContact CD1-CG 4.42Å; Y172-Q233 VanDerWaalsContact CD2-NE2 3.34Å; Y172-Q233 HydrophobicContact CE1-CB 4.16Å; Y172-Q233 HydrophobicContact CE1-CG 3.85Å; Y172-Q233 HydrophobicContact CE2-CG 4.13Å; Y172-Q233 PolarHBondContact OH-O 3.16Å; Y172-Q233 VanDerWaalsContact OH-O 3.04Å; Y172-A234 WeakPolarHBondContact OH-CA 3.43Å; Y172-H236 VanDerWaalsContact CE2-O 3.22Å; Y172-H236 WeakPolarHBondContact CE2-O 3.33Å; Y172-H236 PolarHBondContact OH-N 3.36Å; Y172-H236 PolarHBondContact OH-O 3.49Å; Y172-P238 HydrophobicContact CD2-CG 4.28Å; Y172-P238 WeakPolarHBondContact CD2-O 3.34Å; Y172-P238 WeakPolarHBondContact CE2-O 3.42Å; Y172-Q240 HydrophobicContact CD2-CB 4.03Å; Y172-Q240 HydrophobicContact CG-CB 4.28Å; Y172-M263 HydrophobicContact CE1-CE 4.04Å; Y172-M263 HydrophobicContact CE2-CE 3.61Å; Y172-M263 WeakPolarHBondContact OH-CE 3.17Å
173	Y	97.9	Very high	95.5	Very high	74 Å²	74	36.8 Å²	36.8	29%	0.29	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-43.6	-174.4	-68.7	-81.2	0	0	0	112.4	D171 H175 G201 Y203 Q240 V241 P242	D171-Y173 VanDerWaalsContact C-N 3.31Å; D171-Y173 PolarHBondContact O-N 2.58Å; D171-Y173 PolarHBondContact OD1-N 3.14Å; Y173-H175 PolarHBondContact O-CE1 2.94Å; Y173-H175 PolarHBondContact O-ND1 3.38Å; Y173-G201 WeakPolarHBondContact CD1-O 3.25Å; Y173-G201 WeakPolarHBondContact O-CA 3.47Å; Y173-Y203 HydrophobicContact CD1-CD2 4.34Å; Y173-Y203 HydrophobicContact CD2-CD2 4.36Å; Y173-Y203 AromaticContact CE1-CD2 3.83Å; Y173-Y203 HydrophobicContact CE1-CD2 3.83Å; Y173-Y203 HydrophobicContact CE1-CG 4.22Å; Y173-Y203 AromaticContact CE2-CD2 3.86Å; Y173-Y203 HydrophobicContact CE2-CD2 3.86Å; Y173-Y203 HydrophobicContact CE2-CE2 4.36Å; Y173-Y203 AromaticContact CZ-CD2 3.57Å; Y173-Q240 HydrophobicContact CD2-CB 4.4Å; Y173-Q240 HydrophobicContact CE2-CB 4.05Å; Y173-V241 PolarHBondContact OH-O 2.96Å; Y173-P242 WeakPolarHBondContact OH-CA 3.49Å; Y173-P242 VanDerWaalsContact OH-N 3.07Å
174	S	96.8	Very high	95.3	Very high	47 Å²	47	39 Å²	39	33%	0.329	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-16.4	178.6	59.5	0	0	0	0	113.2	D171 Y176	D171-S174 WeakPolarHBondContact CB-OG 3.28Å; D171-S174 PolarHBondContact OD1-N 3.09Å; D171-S174 PolarHBondContact OD1-OG 3.33Å; S174-Y176 VanDerWaalsContact O-CD2 3.23Å; S174-Y176 WeakPolarHBondContact O-CD2 3.31Å; S174-Y176 PolarHBondContact O-N 2.75Å
175	H	97.5	Very high	95.3	Very high	8 Å²	8	39 Å²	39	4%	0.037	24%	0.237	C	C	.	.			trans	56.5	21.2	-177.4	-43.3	91.4	0	0	0	114.3	D171 Y172 Y173 Y186 D187 L188 D199 L202 M207	D171-H175 VanDerWaalsContact O-CA 3.3Å; D171-H175 WeakPolarHBondContact O-CA 3.21Å; D171-H175 PolarHBondContact O-N 2.7Å; Y172-H175 PolarHBondContact O-NE2 2.68Å; Y173-H175 PolarHBondContact O-CE1 2.94Å; Y173-H175 PolarHBondContact O-ND1 3.38Å; H175-Y186 HydrophobicContact CB-CD2 4.34Å; H175-Y186 HydrophobicContact CB-CE2 3.87Å; H175-D187 PolarHBondContact O-N 3.32Å; H175-L188 HydrophobicContact CB-CB 3.88Å; H175-D199 IonicContact CE1-OD1 3.14Å; H175-D199 PolarHBondContact CE1-OD1 3.29Å; H175-D199 VanDerWaalsContact CE1-OD1 3.25Å; H175-D199 IonicContact CE1-OD2 2.7Å; H175-D199 IonicContact CG-OD2 3.37Å; H175-D199 IonicContact ND1-OD1 3.6Å; H175-D199 PolarHBondContact ND1-OD1 2.87Å; H175-D199 VanDerWaalsContact ND1-OD1 3.15Å; H175-D199 IonicContact ND1-OD2 2.76Å; H175-D199 PolarHBondContact ND1-OD2 3.26Å; H175-L202 PolarHBondContact CE1-O 2.94Å; H175-L202 VanDerWaalsContact CE1-O 3.26Å; H175-L202 PolarHBondContact NE2-O 3.21Å; H175-M207 WeakPolarHBondContact CE1-CE 3.34Å
176	Y	96.9	Very high	95.2	Very high	98 Å²	98	38.4 Å²	38.4	38%	0.384	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	150.3	170.2	-86.1	-101.5	0	0	0	111.3	D171 S174 G185 Y186 W196	D171-Y176 PolarHBondContact N-O 3.41Å; S174-Y176 VanDerWaalsContact O-CD2 3.23Å; S174-Y176 WeakPolarHBondContact O-CD2 3.31Å; S174-Y176 PolarHBondContact O-N 2.75Å; Y176-G185 WeakPolarHBondContact CA-O 3.32Å; Y176-G185 WeakPolarHBondContact CD1-O 3.28Å; Y176-Y186 AromaticContact CD2-CD2 3.99Å; Y176-Y186 HydrophobicContact CD2-CD2 3.99Å; Y176-Y186 AromaticContact CE2-CD2 3.75Å; Y176-Y186 HydrophobicContact CE2-CD2 3.75Å; Y176-Y186 HydrophobicContact CE2-CG 4.42Å; Y176-W196 HydrophobicContact CE2-CZ3 4.4Å
177	K	96	Very high	95.2	Very high	44 Å²	44	38.5 Å²	38.5	19%	0.191	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.2	170.5	175	59.6	-179.5	-173.4	0	110.2	L167 S169 E179 C184 G185 W519	L167-K177 HydrophobicContact CD1-CB 3.73Å; L167-K177 HydrophobicContact CD1-CG 3.71Å; S169-K177 WeakPolarHBondContact O-CD 3.07Å; S169-K177 WeakPolarHBondContact OG-CE 3.49Å; S169-K177 PolarHBondContact OG-NZ 2.91Å; K177-E179 WeakPolarHBondContact CE-OE1 3.32Å; K177-E179 IonicContact NZ-OE1 3.5Å; K177-C184 WeakPolarHBondContact O-CA 3.21Å; K177-G185 PolarHBondContact N-O 2.99Å; K177-G185 PolarHBondContact O-N 2.75Å; K177-W519 PolarHBondContact O-NE1 3.35Å
178	C	95.1	Very high	95.2	Very high	66 Å²	66	38.3 Å²	38.3	45%	0.446	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	137.4	172.1	-60.2	0	0	0	0	111.1	M183 C184	C178-M183 CarbonylContact C-O 3.59Å; C178-M183 VanDerWaalsContact CA-O 3.3Å; C178-M183 WeakPolarHBondContact CA-O 3.27Å; C178-C184 HydrophobicContact CB-CB 4.1Å; C178-C184 WeakPolarHBondContact CB-SG 3.32Å; C178-C184 WeakPolarHBondContact SG-CB 3.12Å; C178-C184 CovalentContact SG-SG 2.04Å; C178-C184 PolarHBondContact SG-SG 3.36Å
179	E	90.9	Very high	95.3	Very high	73 Å²	73	38.2 Å²	38.2	34%	0.341	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-5.7	171.3	-71.6	-68.1	131.4	0	0	112.6	A113 K177 M183 W519	A113-E179 HydrophobicContact CB-CG 3.66Å; K177-E179 WeakPolarHBondContact CE-OE1 3.32Å; K177-E179 IonicContact NZ-OE1 3.5Å; E179-M183 HydrophobicContact CB-CG 4.29Å; E179-M183 HydrophobicContact CB-SD 3.95Å; E179-M183 PolarHBondContact N-O 3.24Å; E179-W519 HydrophobicContact CB-CH2 4.45Å; E179-W519 HydrophobicContact CB-CZ2 4.5Å; E179-W519 HydrophobicContact CG-CH2 4.02Å; E179-W519 HydrophobicContact CG-CZ2 4.06Å
180	G	88.8	Confident	95.4	Very high	29 Å²	29	40.4 Å²	40.4	30%	0.299	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	165.6	-179.3	177	0	0	0	0	0	111.9	G182 M183	G180-G182 PolarHBondContact O-N 2.92Å; G180-M183 PolarHBondContact O-N 3.41Å; G180-M183 VanDerWaalsContact O-N 3.11Å
181	P	86.8	Confident	95.5	Very high	144 Å²	144	41.1 Å²	41.1	94%	0.935	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	128.8	175	-23.7	34.1	0	0	0	111.3	M183	P181-M183 PolarHBondContact O-N 3.4Å
182	G	86.8	Confident	95.4	Very high	49 Å²	49	41.9 Å²	41.9	51%	0.505	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	5.2	179.7	0	0	0	0	0	115.6	G180 Q513	G180-G182 PolarHBondContact O-N 2.92Å; G182-Q513 PolarHBondContact O-NE2 2.8Å
183	M	93.7	Very high	95.3	Very high	31 Å²	31	48.7 Å²	48.7	15%	0.153	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	71.4	179.9	-169.4	177.6	-73.6	0	0	109.9	T114 C178 E179 G180 P181 L508 W519	T114-M183 HydrophobicContact CG2-CE 4.37Å; T114-M183 HydrophobicContact CG2-SD 3.44Å; T114-M183 WeakPolarHBondContact CG2-SD 3.35Å; C178-M183 CarbonylContact C-O 3.59Å; C178-M183 VanDerWaalsContact CA-O 3.3Å; C178-M183 WeakPolarHBondContact CA-O 3.27Å; E179-M183 HydrophobicContact CB-CG 4.29Å; E179-M183 HydrophobicContact CB-SD 3.95Å; E179-M183 PolarHBondContact N-O 3.24Å; G180-M183 PolarHBondContact O-N 3.41Å; G180-M183 VanDerWaalsContact O-N 3.11Å; P181-M183 PolarHBondContact O-N 3.4Å; M183-L508 HydrophobicContact CE-CD2 4.17Å; M183-W519 HydrophobicContact CG-CH2 3.62Å; M183-W519 HydrophobicContact CG-CZ2 4Å; M183-W519 HydrophobicContact SD-CH2 4.06Å
184	C	95.8	Very high	95.3	Very high	52 Å²	52	46.3 Å²	46.3	35%	0.351	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142.2	179.4	-64.1	0	0	0	0	109.3	K177 C178	K177-C184 WeakPolarHBondContact O-CA 3.21Å; C178-C184 HydrophobicContact CB-CB 4.1Å; C178-C184 WeakPolarHBondContact CB-SG 3.32Å; C178-C184 WeakPolarHBondContact SG-CB 3.12Å; C178-C184 CovalentContact SG-SG 2.04Å; C178-C184 PolarHBondContact SG-SG 3.36Å
185	G	97	Very high	95.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	163.6	177.1	0	0	0	0	0	111.9	Y176 K177 G517 W519	Y176-G185 WeakPolarHBondContact CA-O 3.32Å; Y176-G185 WeakPolarHBondContact CD1-O 3.28Å; K177-G185 PolarHBondContact N-O 2.99Å; K177-G185 PolarHBondContact O-N 2.75Å; G185-G517 CarbonylContact C-O 3.6Å; G185-G517 WeakPolarHBondContact CA-O 3.32Å; G185-W519 VanDerWaalsContact C-CD1 3.45Å; G185-W519 VanDerWaalsContact O-CD1 3.25Å; G185-W519 PolarHBondContact O-NE1 2.89Å
186	Y	97.8	Very high	95.1	Very high	1 Å²	1	49.4 Å²	49.4	0%	0.004	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	141.4	174.5	-174.4	-114.6	0	0	0	110.9	H175 Y176 L188 A194 A195 W196 D199 G517 V518 W519	H175-Y186 HydrophobicContact CB-CD2 4.34Å; H175-Y186 HydrophobicContact CB-CE2 3.87Å; Y176-Y186 AromaticContact CD2-CD2 3.99Å; Y176-Y186 HydrophobicContact CD2-CD2 3.99Å; Y176-Y186 AromaticContact CE2-CD2 3.75Å; Y176-Y186 HydrophobicContact CE2-CD2 3.75Å; Y176-Y186 HydrophobicContact CE2-CG 4.42Å; Y186-L188 HydrophobicContact CE1-CB 3.92Å; Y186-L188 VanDerWaalsContact CE1-O 3.24Å; Y186-L188 WeakPolarHBondContact CE1-O 3.41Å; Y186-L188 HydrophobicContact CE2-CB 4.15Å; Y186-L188 WeakPolarHBondContact OH-CB 3.33Å; Y186-L188 WeakPolarHBondContact OH-CD2 3.47Å; Y186-A194 HydrophobicContact CD1-CB 4.17Å; Y186-A194 HydrophobicContact CE1-CB 4.25Å; Y186-A195 PolarHBondContact OH-O 3.1Å; Y186-W196 HydrophobicContact CD1-CD2 4.02Å; Y186-W196 AromaticContact CD1-CE2 3.98Å; Y186-W196 AromaticContact CD1-CE3 3.82Å; Y186-W196 HydrophobicContact CD1-CE3 3.82Å; Y186-W196 AromaticContact CD1-CH2 3.66Å; Y186-W196 HydrophobicContact CD1-CH2 3.66Å; Y186-W196 AromaticContact CD1-CZ2 3.84Å; Y186-W196 HydrophobicContact CD1-CZ2 3.84Å; Y186-W196 AromaticContact CD1-CZ3 3.62Å; Y186-W196 HydrophobicContact CD1-CZ3 3.62Å; Y186-W196 HydrophobicContact CD2-CE3 4.19Å; Y186-W196 HydrophobicContact CD2-CH2 4.15Å; Y186-W196 AromaticContact CD2-CZ3 3.63Å; Y186-W196 HydrophobicContact CD2-CZ3 3.63Å; Y186-W196 AromaticContact CE1-CD2 3.92Å; Y186-W196 HydrophobicContact CE1-CD2 3.92Å; Y186-W196 AromaticContact CE1-CE3 3.76Å; Y186-W196 HydrophobicContact CE1-CE3 3.76Å; Y186-W196 HydrophobicContact CE1-CH2 4.44Å; Y186-W196 HydrophobicContact CE1-CZ3 4.02Å; Y186-W196 HydrophobicContact CE2-CE3 4.14Å; Y186-W196 HydrophobicContact CE2-CZ3 4.03Å; Y186-W196 HydrophobicContact CG-CE3 4.01Å; Y186-W196 AromaticContact CG-CH2 3.46Å; Y186-W196 HydrophobicContact CG-CH2 3.46Å; Y186-W196 VanDerWaalsContact CG-CH2 3.46Å; Y186-W196 HydrophobicContact CG-CZ2 4.1Å; Y186-W196 AromaticContact CG-CZ3 3.38Å; Y186-W196 HydrophobicContact CG-CZ3 3.38Å; Y186-W196 AromaticContact CZ-CE3 3.91Å; Y186-D199 HydrophobicContact CE2-CB 4.35Å; Y186-D199 VanDerWaalsContact CE2-OD2 3.3Å; Y186-D199 WeakPolarHBondContact CE2-OD2 3.45Å; Y186-D199 WeakPolarHBondContact OH-CB 3.49Å; Y186-D199 PolarHBondContact OH-OD2 3.46Å; Y186-G517 PolarHBondContact N-O 3.19Å; Y186-V518 WeakPolarHBondContact O-CA 3.42Å; Y186-V518 WeakPolarHBondContact O-CG1 3.43Å; Y186-W519 PolarHBondContact O-N 3.26Å
187	D	97.9	Very high	94.7	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.021	30%	0.296	C	S	.	.			trans	-142.2	62.7	-179.4	-177	37.1	0	0	0	111.4	S165 L166 L167 H175 W519	S165-D187 WeakPolarHBondContact CA-O 3.23Å; S165-D187 VanDerWaalsContact CB-O 3.22Å; S165-D187 WeakPolarHBondContact CB-O 3.46Å; S165-D187 WeakPolarHBondContact CB-OD2 3.39Å; L166-D187 WeakPolarHBondContact CB-OD1 3.43Å; L166-D187 PolarHBondContact N-OD1 2.86Å; L166-D187 PolarHBondContact N-OD2 2.93Å; L167-D187 WeakPolarHBondContact CB-OD2 3.45Å; L167-D187 HydrophobicContact CD1-CB 3.73Å; L167-D187 WeakPolarHBondContact CD1-OD2 3.43Å; L167-D187 HydrophobicContact CG-CB 4.46Å; L167-D187 VanDerWaalsContact CG-OD2 3.28Å; L167-D187 WeakPolarHBondContact CG-OD2 3.42Å; L167-D187 PolarHBondContact N-OD2 2.93Å; H175-D187 PolarHBondContact O-N 3.32Å; D187-W519 HydrophobicContact CB-CB 4.35Å
188	L	98.1	Very high	94.3	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.301	C	S	.	.			trans	-136.7	133.9	166.1	-175.6	74.8	0	0	0	109.3	F163 G164 H175 Y186 A194 A195 D199 M207 F208	F163-L188 HydrophobicContact CE1-CD1 4.33Å; F163-L188 HydrophobicContact CZ-CD1 4.38Å; F163-L188 HydrophobicContact CZ-CD2 4.22Å; G164-L188 CarbonylContact O-C 3.43Å; G164-L188 WeakPolarHBondContact O-CA 3.41Å; H175-L188 HydrophobicContact CB-CB 3.88Å; Y186-L188 HydrophobicContact CE1-CB 3.92Å; Y186-L188 VanDerWaalsContact CE1-O 3.24Å; Y186-L188 WeakPolarHBondContact CE1-O 3.41Å; Y186-L188 HydrophobicContact CE2-CB 4.15Å; Y186-L188 WeakPolarHBondContact OH-CB 3.33Å; Y186-L188 WeakPolarHBondContact OH-CD2 3.47Å; L188-A194 WeakPolarHBondContact O-CA 3.47Å; L188-A195 HydrophobicContact CD2-CB 4.05Å; L188-A195 HydrophobicContact CG-CB 3.96Å; L188-A195 PolarHBondContact O-N 3.48Å; L188-D199 HydrophobicContact CD2-CB 4.1Å; L188-M207 HydrophobicContact CD1-SD 4.26Å; L188-M207 HydrophobicContact CD2-CE 4Å; L188-M207 HydrophobicContact CD2-SD 3.57Å; L188-M207 VanDerWaalsContact CD2-SD 3.57Å; L188-F208 HydrophobicContact CD1-CE1 3.97Å; L188-F208 HydrophobicContact CD1-CZ 4.48Å
189	Y	98.3	Very high	93.8	Very high	9 Å²	9	51.7 Å²	51.7	4%	0.035	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	147.5	-171.4	-76.7	-96	0	0	0	112.1	F162 F163 G164 L166 E193 V518 W519 G520	F162-Y189 HydrophobicContact CE1-CG 4.41Å; F163-Y189 CarbonylContact C-O 3.55Å; F163-Y189 VanDerWaalsContact CA-O 3.26Å; F163-Y189 WeakPolarHBondContact CA-O 3.49Å; F163-Y189 WeakPolarHBondContact CD2-O 3.22Å; G164-Y189 PolarHBondContact N-O 2.77Å; G164-Y189 PolarHBondContact O-N 3.42Å; L166-Y189 HydrophobicContact CD1-CD2 3.78Å; L166-Y189 HydrophobicContact CD1-CE1 4.17Å; L166-Y189 HydrophobicContact CD1-CE2 3.35Å; L166-Y189 HydrophobicContact CD1-CG 4.34Å; L166-Y189 HydrophobicContact CG-CD2 3.77Å; L166-Y189 HydrophobicContact CG-CE2 3.77Å; L166-Y189 HydrophobicContact CG-CG 4.44Å; Y189-E193 CarbonylContact C-O 3.6Å; Y189-E193 WeakPolarHBondContact CA-O 3.42Å; Y189-E193 WeakPolarHBondContact CD1-O 3.43Å; Y189-V518 HydrophobicContact CE2-CG1 4.2Å; Y189-V518 VanDerWaalsContact OH-CG1 3.29Å; Y189-V518 WeakPolarHBondContact OH-CG1 3.4Å; Y189-W519 WeakPolarHBondContact CE2-O 3.37Å; Y189-W519 PolarHBondContact OH-O 2.87Å; Y189-G520 WeakPolarHBondContact OH-CA 3.44Å; Y189-G520 PolarHBondContact OH-N 2.81Å
190	E	97.9	Very high	93.6	Very high	68 Å²	68	58.2 Å²	58.2	32%	0.318	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	115.4	159.8	-178.8	156.4	-153.4	0	0	108.2	F163 E192 E193 A195 Q198 K211	F163-E190 HydrophobicContact CD2-CB 3.89Å; F163-E190 HydrophobicContact CD2-CG 4.21Å; F163-E190 HydrophobicContact CE2-CB 4.33Å; E190-E192 PolarHBondContact O-N 3.5Å; E190-E193 PolarHBondContact N-O 2.8Å; E190-E193 PolarHBondContact O-N 2.94Å; E190-A195 HydrophobicContact CB-CB 4.07Å; E190-Q198 WeakPolarHBondContact OE2-CG 3.23Å; E190-Q198 PolarHBondContact OE2-NE2 3.46Å; E190-K211 IonicContact OE1-NZ 3.08Å; E190-K211 PolarHBondContact OE1-NZ 2.94Å
191	G	98	Very high	93.7	Very high	26 Å²	26	59 Å²	59	27%	0.268	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	-121.6	-166.3	0	0	0	0	0	110.9	F162	F162-G191 WeakPolarHBondContact CD1-O 3.4Å; F162-G191 PolarHBondContact O-N 3.29Å
192	E	97.4	Very high	94.1	Very high	56 Å²	56	54.5 Å²	54.5	26%	0.262	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	2.9	177.6	-60.8	-173.1	174	0	0	112.8	R150 L153 T155 Q156 E190	R150-E192 IonicContact CZ-OE2 2.7Å; R150-E192 IonicContact NE-OE1 3.36Å; R150-E192 IonicContact NE-OE2 3.83Å; R150-E192 PolarHBondContact NE-OE2 3.44Å; R150-E192 IonicContact NH2-OE1 3.83Å; R150-E192 IonicContact NH2-OE2 2.64Å; R150-E192 PolarHBondContact NH2-OE2 2.9Å; L153-E192 HydrophobicContact CD1-CB 4.25Å; L153-E192 HydrophobicContact CD1-CG 3.88Å; T155-E192 HydrophobicContact CG2-CG 4.25Å; T155-E192 VanDerWaalsContact OG1-CG 3.28Å; T155-E192 WeakPolarHBondContact OG1-CG 3.3Å; T155-E192 PolarHBondContact OG1-OE1 3.33Å; Q156-E192 PolarHBondContact NE2-OE1 3.17Å; E190-E192 PolarHBondContact O-N 3.5Å
193	E	96.6	Very high	94.7	Very high	143 Å²	143	52.5 Å²	52.5	67%	0.668	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	151.7	-175.5	-62.1	-58.9	149.7	0	0	112	Y189 E190 A195	Y189-E193 CarbonylContact C-O 3.6Å; Y189-E193 WeakPolarHBondContact CA-O 3.42Å; Y189-E193 WeakPolarHBondContact CD1-O 3.43Å; E190-E193 PolarHBondContact N-O 2.8Å; E190-E193 PolarHBondContact O-N 2.94Å; E193-A195 PolarHBondContact O-N 2.94Å
194	A	96.9	Very high	94.9	Very high	25 Å²	25	51 Å²	51	21%	0.207	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	126.3	175.4	0	0	0	0	0	111.2	Y186 L188 W196 V518	Y186-A194 HydrophobicContact CD1-CB 4.17Å; Y186-A194 HydrophobicContact CE1-CB 4.25Å; L188-A194 WeakPolarHBondContact O-CA 3.47Å; A194-W196 HydrophobicContact CB-CG 4.43Å; A194-W196 VanDerWaalsContact CB-NE1 3.31Å; A194-W196 PolarHBondContact O-N 3.23Å; A194-V518 HydrophobicContact CB-CG1 4.09Å; A194-V518 HydrophobicContact CB-CG2 3.91Å
195	A	96.5	Very high	95	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.008	24%	0.238	C	C	.	.			trans	-83.7	52.4	-173.4	0	0	0	0	0	113	F163 Y186 L188 E190 E193 E197 Q198 D199	F163-A195 HydrophobicContact CE2-CB 4.06Å; Y186-A195 PolarHBondContact OH-O 3.1Å; L188-A195 HydrophobicContact CD2-CB 4.05Å; L188-A195 HydrophobicContact CG-CB 3.96Å; L188-A195 PolarHBondContact O-N 3.48Å; E190-A195 HydrophobicContact CB-CB 4.07Å; E193-A195 PolarHBondContact O-N 2.94Å; A195-E197 VanDerWaalsContact C-N 3.34Å; A195-E197 PolarHBondContact O-N 3.28Å; A195-Q198 HydrophobicContact CB-CB 4.2Å; A195-Q198 HydrophobicContact CB-CG 4.39Å; A195-Q198 PolarHBondContact O-N 3.43Å; A195-Q198 PolarHBondContact O-OE1 2.99Å; A195-D199 PolarHBondContact O-N 3.44Å
196	W	93.1	Very high	95.1	Very high	119 Å²	119	50.5 Å²	50.5	45%	0.451	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-38.3	-177	-61.5	112.6	0	0	0	113.3	Y176 Y186 A194 Q198 D199 V518	Y176-W196 HydrophobicContact CE2-CZ3 4.4Å; Y186-W196 HydrophobicContact CD1-CD2 4.02Å; Y186-W196 AromaticContact CD1-CE2 3.98Å; Y186-W196 AromaticContact CD1-CE3 3.82Å; Y186-W196 HydrophobicContact CD1-CE3 3.82Å; Y186-W196 AromaticContact CD1-CH2 3.66Å; Y186-W196 HydrophobicContact CD1-CH2 3.66Å; Y186-W196 AromaticContact CD1-CZ2 3.84Å; Y186-W196 HydrophobicContact CD1-CZ2 3.84Å; Y186-W196 AromaticContact CD1-CZ3 3.62Å; Y186-W196 HydrophobicContact CD1-CZ3 3.62Å; Y186-W196 HydrophobicContact CD2-CE3 4.19Å; Y186-W196 HydrophobicContact CD2-CH2 4.15Å; Y186-W196 AromaticContact CD2-CZ3 3.63Å; Y186-W196 HydrophobicContact CD2-CZ3 3.63Å; Y186-W196 AromaticContact CE1-CD2 3.92Å; Y186-W196 HydrophobicContact CE1-CD2 3.92Å; Y186-W196 AromaticContact CE1-CE3 3.76Å; Y186-W196 HydrophobicContact CE1-CE3 3.76Å; Y186-W196 HydrophobicContact CE1-CH2 4.44Å; Y186-W196 HydrophobicContact CE1-CZ3 4.02Å; Y186-W196 HydrophobicContact CE2-CE3 4.14Å; Y186-W196 HydrophobicContact CE2-CZ3 4.03Å; Y186-W196 HydrophobicContact CG-CE3 4.01Å; Y186-W196 AromaticContact CG-CH2 3.46Å; Y186-W196 HydrophobicContact CG-CH2 3.46Å; Y186-W196 VanDerWaalsContact CG-CH2 3.46Å; Y186-W196 HydrophobicContact CG-CZ2 4.1Å; Y186-W196 AromaticContact CG-CZ3 3.38Å; Y186-W196 HydrophobicContact CG-CZ3 3.38Å; Y186-W196 AromaticContact CZ-CE3 3.91Å; A194-W196 HydrophobicContact CB-CG 4.43Å; A194-W196 VanDerWaalsContact CB-NE1 3.31Å; A194-W196 PolarHBondContact O-N 3.23Å; W196-Q198 VanDerWaalsContact C-N 3.31Å; W196-Q198 PolarHBondContact O-N 3.15Å; W196-D199 PolarHBondContact O-N 3.31Å; W196-V518 HydrophobicContact CH2-CG2 4.3Å; W196-V518 HydrophobicContact CZ2-CG2 3.45Å; W196-V518 VanDerWaalsContact CZ2-CG2 3.45Å
197	E	89.4	Confident	95.1	Very high	163 Å²	163	51 Å²	51	76%	0.762	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-24.8	-174.8	-58.7	-174.2	168.9	0	0	112.7	A195	A195-E197 VanDerWaalsContact C-N 3.34Å; A195-E197 PolarHBondContact O-N 3.28Å
198	Q	86.6	Confident	95.1	Very high	61 Å²	61	50.8 Å²	50.8	29%	0.285	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-28.9	179.2	-61	74.5	9.9	0	0	110.7	F163 E190 A195 W196 R200	F163-Q198 HydrophobicContact CE2-CB 3.97Å; F163-Q198 HydrophobicContact CE2-CG 4.01Å; F163-Q198 HydrophobicContact CZ-CB 4.18Å; E190-Q198 WeakPolarHBondContact OE2-CG 3.23Å; E190-Q198 PolarHBondContact OE2-NE2 3.46Å; A195-Q198 HydrophobicContact CB-CB 4.2Å; A195-Q198 HydrophobicContact CB-CG 4.39Å; A195-Q198 PolarHBondContact O-N 3.43Å; A195-Q198 PolarHBondContact O-OE1 2.99Å; W196-Q198 VanDerWaalsContact C-N 3.31Å; W196-Q198 PolarHBondContact O-N 3.15Å; Q198-R200 PolarHBondContact O-N 3.41Å
199	D	84.8	Confident	95.1	Very high	32 Å²	32	51.2 Å²	51.2	17%	0.171	25%	0.254	C	S	.	.			trans	-79.8	90.6	178.8	-170.2	8	0	0	0	112.3	H175 Y186 L188 A195 W196 G201 M207	H175-D199 IonicContact CE1-OD1 3.14Å; H175-D199 PolarHBondContact CE1-OD1 3.29Å; H175-D199 VanDerWaalsContact CE1-OD1 3.25Å; H175-D199 IonicContact CE1-OD2 2.7Å; H175-D199 IonicContact CG-OD2 3.37Å; H175-D199 IonicContact ND1-OD1 3.6Å; H175-D199 PolarHBondContact ND1-OD1 2.87Å; H175-D199 VanDerWaalsContact ND1-OD1 3.15Å; H175-D199 IonicContact ND1-OD2 2.76Å; H175-D199 PolarHBondContact ND1-OD2 3.26Å; Y186-D199 HydrophobicContact CE2-CB 4.35Å; Y186-D199 VanDerWaalsContact CE2-OD2 3.3Å; Y186-D199 WeakPolarHBondContact CE2-OD2 3.45Å; Y186-D199 WeakPolarHBondContact OH-CB 3.49Å; Y186-D199 PolarHBondContact OH-OD2 3.46Å; L188-D199 HydrophobicContact CD2-CB 4.1Å; A195-D199 PolarHBondContact O-N 3.44Å; W196-D199 PolarHBondContact O-N 3.31Å; D199-G201 VanDerWaalsContact C-N 3.3Å; D199-G201 PolarHBondContact OD1-N 3.45Å; D199-M207 HydrophobicContact CB-CE 4.49Å
200	R	87.9	Confident	95.1	Very high	210 Å²	210	58.1 Å²	58.1	79%	0.792	28%	0.28	S	S	*	.	S	Bend	trans	-97.8	31.9	174.7	-58.3	-178.6	-177.1	-177.6	-0.7	111.5	Q198 L202	Q198-R200 PolarHBondContact O-N 3.41Å; R200-L202 HydrophobicContact CB-CD1 4.47Å; R200-L202 HydrophobicContact CB-CG 4.24Å; R200-L202 PolarHBondContact O-N 3.48Å
201	G	91.3	Very high	95.2	Very high	45 Å²	45	57.2 Å²	57.2	46%	0.464	28%	0.275	S	S	.	.	S	Bend	trans	64.2	27.6	-172.7	0	0	0	0	0	112.4	Y173 D199	Y173-G201 WeakPolarHBondContact CD1-O 3.25Å; Y173-G201 WeakPolarHBondContact O-CA 3.47Å; D199-G201 VanDerWaalsContact C-N 3.3Å; D199-G201 PolarHBondContact OD1-N 3.45Å
202	L	95	Very high	95.2	Very high	50 Å²	50	56 Å²	56	26%	0.262	26%	0.262	S	S	.	.			trans	-80.9	136.2	-177.2	-71.6	173.3	0	0	0	109.8	H175 R200 S204 M207	H175-L202 PolarHBondContact CE1-O 2.94Å; H175-L202 VanDerWaalsContact CE1-O 3.26Å; H175-L202 PolarHBondContact NE2-O 3.21Å; R200-L202 HydrophobicContact CB-CD1 4.47Å; R200-L202 HydrophobicContact CB-CG 4.24Å; R200-L202 PolarHBondContact O-N 3.48Å; L202-S204 PolarHBondContact O-N 3.49Å; L202-M207 HydrophobicContact CB-CB 4.39Å; L202-M207 HydrophobicContact CB-CE 3.8Å
203	Y	98.3	Very high	95.3	Very high	7 Å²	7	55.3 Å²	55.3	3%	0.027	26%	0.262	C	S	.	.			trans	-57.2	123.3	173.9	-171.9	-111.4	0	0	0	111.1	Y172 Y173 T205 V206 M207 Q240 P242	Y172-Y203 AromaticContact CD1-CD2 3.93Å; Y172-Y203 HydrophobicContact CD1-CD2 3.93Å; Y172-Y203 HydrophobicContact CD1-CE1 4.1Å; Y172-Y203 AromaticContact CD1-CE2 3.18Å; Y172-Y203 HydrophobicContact CD1-CE2 3.18Å; Y172-Y203 AromaticContact CD1-CZ 3.28Å; Y172-Y203 WeakPolarHBondContact CD1-OH 3.22Å; Y172-Y203 HydrophobicContact CD2-CE2 4.44Å; Y172-Y203 HydrophobicContact CE1-CE1 4.47Å; Y172-Y203 HydrophobicContact CE1-CE2 4.05Å; Y172-Y203 AromaticContact CE1-CZ 3.7Å; Y172-Y203 WeakPolarHBondContact CE1-OH 3.44Å; Y172-Y203 HydrophobicContact CG-CD2 4.11Å; Y172-Y203 AromaticContact CG-CE2 3.43Å; Y172-Y203 HydrophobicContact CG-CE2 3.43Å; Y172-Y203 VanDerWaalsContact CG-CE2 3.43Å; Y172-Y203 AromaticContact CG-CZ 3.99Å; Y172-Y203 CarbonylContact O-C 3.53Å; Y172-Y203 WeakPolarHBondContact O-CA 3.22Å; Y173-Y203 HydrophobicContact CD1-CD2 4.34Å; Y173-Y203 HydrophobicContact CD2-CD2 4.36Å; Y173-Y203 AromaticContact CE1-CD2 3.83Å; Y173-Y203 HydrophobicContact CE1-CD2 3.83Å; Y173-Y203 HydrophobicContact CE1-CG 4.22Å; Y173-Y203 AromaticContact CE2-CD2 3.86Å; Y173-Y203 HydrophobicContact CE2-CD2 3.86Å; Y173-Y203 HydrophobicContact CE2-CE2 4.36Å; Y173-Y203 AromaticContact CZ-CD2 3.57Å; Y203-T205 VanDerWaalsContact C-N 3.25Å; Y203-T205 VanDerWaalsContact CE1-CB 3.49Å; Y203-T205 VanDerWaalsContact CE1-OG1 3.3Å; Y203-T205 WeakPolarHBondContact CE1-OG1 3.45Å; Y203-T205 PolarHBondContact O-N 3.02Å; Y203-V206 HydrophobicContact CD1-CG2 4.35Å; Y203-V206 WeakPolarHBondContact O-CA 3.45Å; Y203-V206 WeakPolarHBondContact O-CB 3.26Å; Y203-V206 PolarHBondContact O-N 3.41Å; Y203-M207 PolarHBondContact O-N 3.33Å; Y203-Q240 HydrophobicContact CE2-CB 4.46Å; Y203-Q240 WeakPolarHBondContact CE2-O 3.38Å; Y203-Q240 VanDerWaalsContact CZ-O 3.29Å; Y203-Q240 PolarHBondContact OH-O 2.8Å; Y203-P242 HydrophobicContact CD1-CG 4.15Å; Y203-P242 HydrophobicContact CG-CG 4.02Å
204	S	98.1	Very high	95.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-53.2	-36	-169.6	69	0	0	0	0	114.4	Y172 L202 V206 M207 F208 Q233	Y172-S204 WeakPolarHBondContact CD1-OG 3.48Å; Y172-S204 PolarHBondContact O-N 2.88Å; L202-S204 PolarHBondContact O-N 3.49Å; S204-V206 VanDerWaalsContact C-N 3.35Å; S204-V206 PolarHBondContact O-N 2.94Å; S204-M207 PolarHBondContact O-N 3.49Å; S204-F208 WeakPolarHBondContact O-CB 3.4Å; S204-F208 WeakPolarHBondContact O-CD2 3.35Å; S204-F208 WeakPolarHBondContact O-CG 3.22Å; S204-F208 PolarHBondContact O-N 3.34Å; S204-Q233 VanDerWaalsContact CB-OE1 3.32Å; S204-Q233 PolarHBondContact OG-OE1 3.27Å
205	T	98.6	Very high	95.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.9	-40.6	176.5	-55.8	0	0	0	0	112.1	Y203 T209 Y232 A234 A270	Y203-T205 VanDerWaalsContact C-N 3.25Å; Y203-T205 VanDerWaalsContact CE1-CB 3.49Å; Y203-T205 VanDerWaalsContact CE1-OG1 3.3Å; Y203-T205 WeakPolarHBondContact CE1-OG1 3.45Å; Y203-T205 PolarHBondContact O-N 3.02Å; T205-T209 WeakPolarHBondContact O-CB 3.19Å; T205-T209 PolarHBondContact O-N 2.94Å; T205-T209 VanDerWaalsContact O-N 3.16Å; T205-T209 PolarHBondContact O-OG1 2.88Å; T205-Y232 HydrophobicContact CG2-CD1 3.94Å; T205-Y232 HydrophobicContact CG2-CE1 3.86Å; T205-A234 HydrophobicContact CG2-CB 4.45Å; T205-A234 WeakPolarHBondContact OG1-CB 3.41Å; T205-A270 HydrophobicContact CG2-CB 3.87Å
206	V	98	Very high	95.5	Very high	41 Å²	41	50.5 Å²	50.5	25%	0.248	24%	0.241	C	C	.	.	H	α-helix	trans	-69.9	-42.7	176.2	175.8	0	0	0	0	109.8	Y203 S204 T209 R210	Y203-V206 HydrophobicContact CD1-CG2 4.35Å; Y203-V206 WeakPolarHBondContact O-CA 3.45Å; Y203-V206 WeakPolarHBondContact O-CB 3.26Å; Y203-V206 PolarHBondContact O-N 3.41Å; S204-V206 VanDerWaalsContact C-N 3.35Å; S204-V206 PolarHBondContact O-N 2.94Å; V206-T209 PolarHBondContact O-N 2.9Å; V206-R210 WeakPolarHBondContact O-CG 3.16Å; V206-R210 PolarHBondContact O-N 3.32Å
207	M	97.5	Very high	95.8	Very high	10 Å²	10	47.1 Å²	47.1	5%	0.049	24%	0.238	C	C	.	.	H	α-helix	trans	-60.7	-50	179.6	-168.9	-168.2	-77.7	0	0	111.9	F163 H175 L188 D199 L202 Y203 S204 T209 R210 K211	F163-M207 HydrophobicContact CE1-CG 3.74Å; F163-M207 HydrophobicContact CE1-SD 3.62Å; F163-M207 HydrophobicContact CZ-CG 3.91Å; F163-M207 HydrophobicContact CZ-SD 3.52Å; F163-M207 VanDerWaalsContact CZ-SD 3.52Å; H175-M207 WeakPolarHBondContact CE1-CE 3.34Å; L188-M207 HydrophobicContact CD1-SD 4.26Å; L188-M207 HydrophobicContact CD2-CE 4Å; L188-M207 HydrophobicContact CD2-SD 3.57Å; L188-M207 VanDerWaalsContact CD2-SD 3.57Å; D199-M207 HydrophobicContact CB-CE 4.49Å; L202-M207 HydrophobicContact CB-CB 4.39Å; L202-M207 HydrophobicContact CB-CE 3.8Å; Y203-M207 PolarHBondContact O-N 3.33Å; S204-M207 PolarHBondContact O-N 3.49Å; M207-T209 VanDerWaalsContact C-N 3.34Å; M207-T209 PolarHBondContact O-N 3.33Å; M207-R210 PolarHBondContact O-N 3.5Å; M207-K211 PolarHBondContact O-N 2.78Å
208	F	98.8	Very high	96.2	Very high	1 Å²	1	45.7 Å²	45.7	0%	0.004	24%	0.236	C	C	.	.	H	α-helix	trans	-62.4	-40.3	177.7	-63.6	-18.8	0	0	0	112.1	V140 F163 L188 S204 R210 K211 A212 L230 Y232 Q233	V140-F208 HydrophobicContact CG1-CB 3.66Å; V140-F208 HydrophobicContact CG1-CD1 3.98Å; V140-F208 HydrophobicContact CG1-CG 4Å; F163-F208 HydrophobicContact CD1-CD1 4.04Å; F163-F208 HydrophobicContact CD1-CE1 4.31Å; F163-F208 AromaticContact CE1-CD1 3.98Å; F163-F208 HydrophobicContact CE1-CD1 3.98Å; F163-F208 HydrophobicContact CE1-CE1 4.15Å; L188-F208 HydrophobicContact CD1-CE1 3.97Å; L188-F208 HydrophobicContact CD1-CZ 4.48Å; S204-F208 WeakPolarHBondContact O-CB 3.4Å; S204-F208 WeakPolarHBondContact O-CD2 3.35Å; S204-F208 WeakPolarHBondContact O-CG 3.22Å; S204-F208 PolarHBondContact O-N 3.34Å; F208-R210 PolarHBondContact O-N 2.86Å; F208-K211 PolarHBondContact O-N 3.47Å; F208-A212 WeakPolarHBondContact O-CB 3.33Å; F208-A212 PolarHBondContact O-N 2.91Å; F208-L230 HydrophobicContact CB-CD1 4.33Å; F208-Y232 HydrophobicContact CB-CD1 4.41Å; F208-Y232 HydrophobicContact CB-CE1 4.2Å; F208-Y232 HydrophobicContact CD2-CD1 4.41Å; F208-Q233 HydrophobicContact CE2-CB 4.19Å
209	T	98.8	Very high	96.7	Very high	8 Å²	8	44 Å²	44	5%	0.049	23%	0.228	C	C	.	.	H	α-helix	trans	-63.8	-43.1	176.3	-52.9	0	0	0	0	111.5	T205 V206 M207 K211 A212 V213 Y232 A270 N273	T205-T209 WeakPolarHBondContact O-CB 3.19Å; T205-T209 PolarHBondContact O-N 2.94Å; T205-T209 VanDerWaalsContact O-N 3.16Å; T205-T209 PolarHBondContact O-OG1 2.88Å; V206-T209 PolarHBondContact O-N 2.9Å; M207-T209 VanDerWaalsContact C-N 3.34Å; M207-T209 PolarHBondContact O-N 3.33Å; T209-K211 VanDerWaalsContact C-N 3.31Å; T209-K211 PolarHBondContact O-N 2.96Å; T209-A212 PolarHBondContact O-N 3.1Å; T209-V213 VanDerWaalsContact O-CG2 3.31Å; T209-V213 WeakPolarHBondContact O-CG2 3.32Å; T209-V213 PolarHBondContact O-N 3.48Å; T209-Y232 WeakPolarHBondContact OG1-CE1 3.38Å; T209-Y232 PolarHBondContact OG1-OH 2.92Å; T209-A270 HydrophobicContact CG2-CB 4.19Å; T209-A270 WeakPolarHBondContact OG1-CB 3.37Å; T209-N273 HydrophobicContact CG2-CB 4.09Å
210	R	98.2	Very high	97.2	Very high	154 Å²	154	45.3 Å²	45.3	58%	0.581	24%	0.235	S	C	*	.	H	α-helix	trans	-61.1	-40.9	175.5	-75.3	177.8	174.8	-174.5	-2	111.9	V206 M207 F208 V213 S214	V206-R210 WeakPolarHBondContact O-CG 3.16Å; V206-R210 PolarHBondContact O-N 3.32Å; M207-R210 PolarHBondContact O-N 3.5Å; F208-R210 PolarHBondContact O-N 2.86Å; R210-V213 PolarHBondContact O-N 2.98Å; R210-S214 WeakPolarHBondContact O-CB 3.15Å; R210-S214 PolarHBondContact O-N 3.38Å
211	K	98.6	Very high	97.4	Very high	50 Å²	50	36 Å²	36	22%	0.217	20%	0.202	C	C	.	.	H	α-helix	trans	-65.9	-43.8	177.5	-170	64.7	167.4	-177.9	0	111.9	V140 F163 E190 M207 F208 T209 V213 S214 I215	V140-K211 HydrophobicContact CG1-CB 4.13Å; V140-K211 HydrophobicContact CG1-CG 4.41Å; V140-K211 HydrophobicContact CG2-CB 4.45Å; V140-K211 HydrophobicContact CG2-CG 4.08Å; F163-K211 HydrophobicContact CB-CD 4.25Å; F163-K211 HydrophobicContact CB-CG 3.74Å; F163-K211 HydrophobicContact CD1-CB 3.96Å; F163-K211 HydrophobicContact CD1-CD 4.48Å; F163-K211 HydrophobicContact CD1-CG 3.82Å; F163-K211 HydrophobicContact CD2-CD 4.36Å; F163-K211 HydrophobicContact CD2-CG 4.48Å; F163-K211 HydrophobicContact CE1-CB 4.43Å; F163-K211 HydrophobicContact CG-CB 4.39Å; F163-K211 HydrophobicContact CG-CD 4.1Å; F163-K211 HydrophobicContact CG-CG 3.75Å; E190-K211 IonicContact OE1-NZ 3.08Å; E190-K211 PolarHBondContact OE1-NZ 2.94Å; M207-K211 PolarHBondContact O-N 2.78Å; F208-K211 PolarHBondContact O-N 3.47Å; T209-K211 VanDerWaalsContact C-N 3.31Å; T209-K211 PolarHBondContact O-N 2.96Å; K211-V213 PolarHBondContact O-N 3.3Å; K211-S214 WeakPolarHBondContact O-CB 3.33Å; K211-S214 PolarHBondContact O-N 3.22Å; K211-I215 HydrophobicContact CG-CD1 4.31Å; K211-I215 WeakPolarHBondContact O-CG1 3.28Å; K211-I215 PolarHBondContact O-N 2.97Å
212	A	98.8	Very high	97.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.6	-45.8	174.2	0	0	0	0	0	112.2	F208 T209 S214 I215 L216 L228 L230 L274	F208-A212 WeakPolarHBondContact O-CB 3.33Å; F208-A212 PolarHBondContact O-N 2.91Å; T209-A212 PolarHBondContact O-N 3.1Å; A212-S214 VanDerWaalsContact C-N 3.33Å; A212-S214 PolarHBondContact O-N 2.91Å; A212-I215 WeakPolarHBondContact O-CB 3.26Å; A212-I215 PolarHBondContact O-N 3Å; A212-L216 WeakPolarHBondContact O-CG 3.38Å; A212-L216 PolarHBondContact O-N 3.47Å; A212-L216 VanDerWaalsContact O-N 3.09Å; A212-L228 HydrophobicContact CB-CD2 3.97Å; A212-L230 HydrophobicContact CB-CD1 4.25Å; A212-L230 HydrophobicContact CB-CD2 4.23Å; A212-L274 HydrophobicContact CB-CD1 4.16Å
213	V	98.8	Very high	97.4	Very high	41 Å²	41	45.1 Å²	45.1	25%	0.248	23%	0.228	C	C	.	.	H	α-helix	trans	-63.2	-39.7	176	173	0	0	0	0	111.6	T209 R210 K211 L216 A217 A277 F281	T209-V213 VanDerWaalsContact O-CG2 3.31Å; T209-V213 WeakPolarHBondContact O-CG2 3.32Å; T209-V213 PolarHBondContact O-N 3.48Å; R210-V213 PolarHBondContact O-N 2.98Å; K211-V213 PolarHBondContact O-N 3.3Å; V213-L216 PolarHBondContact O-N 3.37Å; V213-A217 WeakPolarHBondContact O-CB 3.42Å; V213-A217 PolarHBondContact O-N 3.22Å; V213-A277 HydrophobicContact CB-CB 4.36Å; V213-A277 HydrophobicContact CG1-CB 4.01Å; V213-A277 HydrophobicContact CG2-CB 3.76Å; V213-F281 HydrophobicContact CG1-CE2 4.21Å
214	S	98.6	Very high	97.3	Very high	49 Å²	49	48.5 Å²	48.5	34%	0.343	24%	0.244	S	C	.	.	H	α-helix	trans	-63.5	-39.5	175.5	179.7	0	0	0	0	112.2	R210 K211 A212 A217 N218	R210-S214 WeakPolarHBondContact O-CB 3.15Å; R210-S214 PolarHBondContact O-N 3.38Å; K211-S214 WeakPolarHBondContact O-CB 3.33Å; K211-S214 PolarHBondContact O-N 3.22Å; A212-S214 VanDerWaalsContact C-N 3.33Å; A212-S214 PolarHBondContact O-N 2.91Å; S214-A217 PolarHBondContact O-N 2.7Å; S214-N218 WeakPolarHBondContact O-CB 3.3Å; S214-N218 PolarHBondContact O-N 2.76Å; S214-N218 VanDerWaalsContact O-N 3.12Å; S214-N218 PolarHBondContact O-ND2 3.05Å; S214-N218 PolarHBondContact OG-ND2 2.81Å
215	I	98.8	Very high	97.3	Very high	18 Å²	18	48.8 Å²	48.8	9%	0.092	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-49	173.9	-70.8	159	0	0	0	110.2	H138 V140 K211 A212 A217 N218 H219 L226 L228	H138-I215 HydrophobicContact CB-CD1 4.04Å; H138-I215 HydrophobicContact CB-CG2 4.24Å; H138-I215 VanDerWaalsContact CD2-CG2 3.48Å; H138-I215 WeakPolarHBondContact CD2-CG2 3.28Å; V140-I215 HydrophobicContact CG2-CD1 3.58Å; K211-I215 HydrophobicContact CG-CD1 4.31Å; K211-I215 WeakPolarHBondContact O-CG1 3.28Å; K211-I215 PolarHBondContact O-N 2.97Å; A212-I215 WeakPolarHBondContact O-CB 3.26Å; A212-I215 PolarHBondContact O-N 3Å; I215-A217 VanDerWaalsContact C-N 3.29Å; I215-A217 PolarHBondContact O-N 3.21Å; I215-N218 PolarHBondContact O-N 3.38Å; I215-H219 WeakPolarHBondContact O-CB 3.27Å; I215-H219 PolarHBondContact O-N 2.81Å; I215-H219 VanDerWaalsContact O-N 3.07Å; I215-L226 HydrophobicContact CG2-CD1 3.92Å; I215-L228 HydrophobicContact CD1-CD1 4.28Å
216	L	98.6	Very high	97.2	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-61	-37.6	178.3	-65.5	174.5	0	0	0	112.8	A212 V213 N218 L226 L274 A277 L278 F281 Y283	A212-L216 WeakPolarHBondContact O-CG 3.38Å; A212-L216 PolarHBondContact O-N 3.47Å; A212-L216 VanDerWaalsContact O-N 3.09Å; V213-L216 PolarHBondContact O-N 3.37Å; L216-N218 VanDerWaalsContact C-N 3.34Å; L216-L226 HydrophobicContact CD2-CD2 4.26Å; L216-L274 HydrophobicContact CD1-CD1 3.94Å; L216-A277 HydrophobicContact CD1-CB 4.05Å; L216-L278 HydrophobicContact CD1-CD2 3.71Å; L216-L278 HydrophobicContact CD1-CG 3.98Å; L216-L278 HydrophobicContact CD2-CD2 3.81Å; L216-L278 HydrophobicContact CG-CD2 4.43Å; L216-F281 HydrophobicContact CB-CD2 4.02Å; L216-Y283 HydrophobicContact CB-CE2 4.17Å; L216-Y283 HydrophobicContact CD2-CD1 4.16Å; L216-Y283 HydrophobicContact CD2-CD2 4.15Å; L216-Y283 HydrophobicContact CD2-CE1 4.11Å; L216-Y283 HydrophobicContact CD2-CE2 4.12Å; L216-Y283 HydrophobicContact CD2-CG 4.19Å; L216-Y283 WeakPolarHBondContact O-CE2 3.37Å; L216-Y283 PolarHBondContact O-OH 3.46Å; L216-Y283 VanDerWaalsContact O-OH 3.11Å
217	A	98.4	Very high	97.3	Very high	48 Å²	48	46.9 Å²	46.9	40%	0.397	23%	0.234	S	C	.	.	H	α-helix	trans	-69.5	-29.5	179.8	0	0	0	0	0	113.5	V213 S214 I215 F281	V213-A217 WeakPolarHBondContact O-CB 3.42Å; V213-A217 PolarHBondContact O-N 3.22Å; S214-A217 PolarHBondContact O-N 2.7Å; I215-A217 VanDerWaalsContact C-N 3.29Å; I215-A217 PolarHBondContact O-N 3.21Å; A217-F281 HydrophobicContact CB-CD2 4.44Å; A217-F281 HydrophobicContact CB-CE1 3.93Å; A217-F281 HydrophobicContact CB-CE2 3.74Å; A217-F281 HydrophobicContact CB-CZ 3.44Å; A217-F281 VanDerWaalsContact CB-CZ 3.44Å
218	N	97.9	Very high	97.4	Very high	133 Å²	133	46.4 Å²	46.4	71%	0.711	23%	0.232	S	C	*	.	H	α-helix	trans	-100.6	-6.3	-175.3	-69	-61.8	0	0	0	113.6	S214 I215 L216	S214-N218 WeakPolarHBondContact O-CB 3.3Å; S214-N218 PolarHBondContact O-N 2.76Å; S214-N218 VanDerWaalsContact O-N 3.12Å; S214-N218 PolarHBondContact O-ND2 3.05Å; S214-N218 PolarHBondContact OG-ND2 2.81Å; I215-N218 PolarHBondContact O-N 3.38Å; L216-N218 VanDerWaalsContact C-N 3.34Å
219	H	97.1	Very high	97.4	Very high	27 Å²	27	46.4 Å²	46.4	13%	0.125	23%	0.232	C	C	.	.	S	Bend	trans	-100.2	145.8	175.5	174.6	-76.5	0	0	0	109.7	I215 P221 Q224 L226 Y283	I215-H219 WeakPolarHBondContact O-CB 3.27Å; I215-H219 PolarHBondContact O-N 2.81Å; I215-H219 VanDerWaalsContact O-N 3.07Å; H219-P221 WeakPolarHBondContact O-CD 3.29Å; H219-Q224 PolarHBondContact CE1-O 2.67Å; H219-Q224 PolarHBondContact NE2-O 2.94Å; H219-L226 HydrophobicContact CB-CD1 4.04Å; H219-Y283 VanDerWaalsContact CB-OH 3.29Å; H219-Y283 WeakPolarHBondContact CB-OH 3.3Å; H219-Y283 AromaticContact ND1-CE1 3.61Å; H219-Y283 AromaticContact ND1-CZ 3.63Å; H219-Y283 PolarHBondContact ND1-OH 3.11Å; H219-Y283 PolarHBondContact O-OH 3.25Å
220	D	94.8	Very high	97.4	Very high	58 Å²	58	46 Å²	46	31%	0.31	23%	0.23	S	C	.	.			trans	-96.9	107.6	178.9	-173.5	-20.4	0	0	0	109.8	H222 K223	D220-H222 PolarHBondContact O-N 3.08Å; D220-H222 VanDerWaalsContact O-N 3.13Å; D220-H222 IonicContact OD1-CD2 3.94Å; D220-H222 PolarHBondContact OD1-N 2.87Å; D220-H222 VanDerWaalsContact OD1-N 3.08Å; D220-K223 HydrophobicContact CB-CB 4.28Å; D220-K223 HydrophobicContact CB-CD 4.18Å; D220-K223 HydrophobicContact CB-CG 4.3Å; D220-K223 PolarHBondContact O-N 3Å; D220-K223 WeakPolarHBondContact OD2-CD 3.16Å; D220-K223 WeakPolarHBondContact OD2-CE 3.06Å; D220-K223 WeakPolarHBondContact OD2-CG 3.29Å; D220-K223 IonicContact OD2-NZ 2.73Å; D220-K223 PolarHBondContact OD2-NZ 2.91Å
221	P	93.7	Very high	97.4	Very high	16 Å²	16	38.7 Å²	38.7	10%	0.104	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-19.4	-175.9	26.7	-35.4	0	0	0	113.7	H43 H219 F281 Y283	H43-P221 PolarHBondContact CE1-O 2.88Å; H43-P221 VanDerWaalsContact CE1-O 3.28Å; H43-P221 PolarHBondContact NE2-O 3Å; H219-P221 WeakPolarHBondContact O-CD 3.29Å; P221-F281 WeakPolarHBondContact CG-O 3.25Å; P221-Y283 HydrophobicContact CB-CD1 3.78Å; P221-Y283 HydrophobicContact CB-CD2 4.19Å; P221-Y283 HydrophobicContact CB-CE1 3.6Å; P221-Y283 HydrophobicContact CB-CE2 4.01Å; P221-Y283 HydrophobicContact CB-CG 4.06Å; P221-Y283 HydrophobicContact CG-CD2 4.42Å; P221-Y283 HydrophobicContact CG-CE1 4.48Å; P221-Y283 HydrophobicContact CG-CE2 4.08Å
222	H	91.6	Very high	97.4	Very high	120 Å²	120	36.3 Å²	36.3	56%	0.556	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-18.6	-176.3	-60.5	-61.9	0	0	0	113.2	D220	D220-H222 PolarHBondContact O-N 3.08Å; D220-H222 VanDerWaalsContact O-N 3.13Å; D220-H222 IonicContact OD1-CD2 3.94Å; D220-H222 PolarHBondContact OD1-N 2.87Å; D220-H222 VanDerWaalsContact OD1-N 3.08Å
223	K	93.8	Very high	97.4	Very high	165 Å²	165	36.7 Å²	36.7	72%	0.717	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-35	-174.8	-71.4	-177.8	-177.2	139.8	0	114.6	D220	D220-K223 HydrophobicContact CB-CB 4.28Å; D220-K223 HydrophobicContact CB-CD 4.18Å; D220-K223 HydrophobicContact CB-CG 4.3Å; D220-K223 PolarHBondContact O-N 3Å; D220-K223 WeakPolarHBondContact OD2-CD 3.16Å; D220-K223 WeakPolarHBondContact OD2-CE 3.06Å; D220-K223 WeakPolarHBondContact OD2-CG 3.29Å; D220-K223 IonicContact OD2-NZ 2.73Å; D220-K223 PolarHBondContact OD2-NZ 2.91Å
224	Q	95.6	Very high	97.4	Very high	79 Å²	79	34.8 Å²	34.8	37%	0.369	18%	0.182	S	C	.	.	S	Bend	trans	-145.6	140.2	-173.8	-166.6	175.6	20.3	0	0	109.9	G134 H219	G134-Q224 VanDerWaalsContact O-CG 3.26Å; G134-Q224 WeakPolarHBondContact O-CG 3.18Å; G134-Q224 PolarHBondContact O-NE2 2.76Å; H219-Q224 PolarHBondContact CE1-O 2.67Å; H219-Q224 PolarHBondContact NE2-O 2.94Å
225	P	97.8	Very high	97.4	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.032	17%	0.166	C	C	.	.			trans	-72.7	152.2	170.8	30.6	-34.3	0	0	0	110.5	Q41 Y135 S136	Q41-P225 HydrophobicContact CB-CB 4.22Å; Q41-P225 HydrophobicContact CB-CG 4.3Å; Y135-P225 WeakPolarHBondContact CA-O 3.35Å; Y135-P225 HydrophobicContact CD1-CB 3.9Å; Y135-P225 HydrophobicContact CD1-CG 4.23Å; Y135-P225 HydrophobicContact CD2-CB 4.3Å; Y135-P225 HydrophobicContact CD2-CG 3.84Å; Y135-P225 HydrophobicContact CE1-CB 3.65Å; Y135-P225 HydrophobicContact CE1-CG 4.27Å; Y135-P225 HydrophobicContact CE2-CB 4.05Å; Y135-P225 HydrophobicContact CE2-CG 3.86Å; Y135-P225 HydrophobicContact CG-CB 4.21Å; Y135-P225 HydrophobicContact CG-CG 4.02Å; S136-P225 PolarHBondContact N-O 2.93Å
226	L	98.3	Very high	97.3	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.6	-172.6	174.8	142.2	0	0	0	109.9	H43 I44 I215 L216 H219 L228 Y283	H43-L226 CarbonylContact C-O 3.58Å; H43-L226 WeakPolarHBondContact CA-O 3.09Å; H43-L226 PolarHBondContact ND1-N 2.78Å; H43-L226 VanDerWaalsContact ND1-N 3.17Å; I44-L226 PolarHBondContact N-O 3Å; I215-L226 HydrophobicContact CG2-CD1 3.92Å; L216-L226 HydrophobicContact CD2-CD2 4.26Å; H219-L226 HydrophobicContact CB-CD1 4.04Å; L226-L228 HydrophobicContact CD2-CB 3.7Å; L226-Y283 HydrophobicContact CB-CE1 4.47Å; L226-Y283 HydrophobicContact CD1-CE1 4.5Å
227	F	98.9	Very high	97.2	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	112.4	168.9	174	-129.1	0	0	0	109.2	I44 F46 L126 P127 L130 Y135 S136 T137 H138 F159	I44-F227 HydrophobicContact CB-CD2 3.91Å; I44-F227 HydrophobicContact CG2-CD2 3.67Å; I44-F227 HydrophobicContact CG2-CE2 3.93Å; I44-F227 CarbonylContact O-C 3.56Å; I44-F227 WeakPolarHBondContact O-CA 3.28Å; F46-F227 HydrophobicContact CB-CE2 4.14Å; L126-F227 HydrophobicContact CD2-CE2 4.49Å; L126-F227 HydrophobicContact CD2-CZ 3.9Å; L126-F227 HydrophobicContact CG-CE1 4.44Å; L126-F227 HydrophobicContact CG-CZ 4.27Å; P127-F227 HydrophobicContact CB-CD1 4.18Å; P127-F227 HydrophobicContact CB-CE1 4Å; L130-F227 HydrophobicContact CD1-CB 3.91Å; L130-F227 HydrophobicContact CD1-CD1 3.63Å; L130-F227 HydrophobicContact CD1-CD2 3.73Å; L130-F227 HydrophobicContact CD1-CE1 4.02Å; L130-F227 HydrophobicContact CD1-CE2 4.12Å; L130-F227 HydrophobicContact CD1-CG 3.47Å; L130-F227 VanDerWaalsContact CD1-CG 3.47Å; L130-F227 HydrophobicContact CD1-CZ 4.25Å; Y135-F227 HydrophobicContact CD1-CB 3.87Å; S136-F227 PolarHBondContact O-N 2.82Å; T137-F227 HydrophobicContact CG2-CB 4.29Å; T137-F227 HydrophobicContact CG2-CD1 4.21Å; H138-F227 PolarHBondContact N-O 3.4Å; F159-F227 HydrophobicContact CE1-CD1 4.09Å; F159-F227 AromaticContact CE1-CE1 3.67Å; F159-F227 HydrophobicContact CE1-CE1 3.67Å; F159-F227 HydrophobicContact CZ-CE1 4.15Å
228	L	98.9	Very high	97.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	110.5	174.7	176.7	64.2	0	0	0	110.2	I44 V45 F46 H138 V140 A212 I215 L226 L230 L274	I44-L228 PolarHBondContact O-N 2.81Å; V45-L228 CarbonylContact C-O 3.6Å; V45-L228 WeakPolarHBondContact CA-O 3.41Å; V45-L228 HydrophobicContact CG1-CD2 4.35Å; V45-L228 HydrophobicContact CG2-CB 4.39Å; F46-L228 PolarHBondContact N-O 3.22Å; H138-L228 HydrophobicContact CB-CD1 4Å; H138-L228 WeakPolarHBondContact O-CA 3.37Å; V140-L228 HydrophobicContact CG2-CD1 4.07Å; A212-L228 HydrophobicContact CB-CD2 3.97Å; I215-L228 HydrophobicContact CD1-CD1 4.28Å; L226-L228 HydrophobicContact CD2-CB 3.7Å; L228-L230 HydrophobicContact CG-CB 4.42Å; L228-L274 HydrophobicContact CD2-CD1 4.4Å
229	Y	98.9	Very high	97.2	Very high	1 Å²	1	29.5 Å²	29.5	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	103.8	167.9	176.5	-130.2	0	0	0	109.9	F46 L48 L95 M96 H138 M139 V140 F159 A231	F46-Y229 HydrophobicContact CB-CD2 4.29Å; F46-Y229 HydrophobicContact CD1-CD2 4.12Å; F46-Y229 HydrophobicContact CD1-CE2 4.17Å; L48-Y229 HydrophobicContact CB-CE2 3.79Å; L48-Y229 HydrophobicContact CD2-CE2 4.13Å; L48-Y229 WeakPolarHBondContact CD2-OH 3.18Å; L95-Y229 HydrophobicContact CD2-CE2 3.8Å; M96-Y229 HydrophobicContact CE-CD1 3.51Å; M96-Y229 HydrophobicContact CE-CD2 4.11Å; M96-Y229 HydrophobicContact CE-CE1 3.26Å; M96-Y229 HydrophobicContact CE-CE2 3.89Å; M96-Y229 HydrophobicContact CE-CG 3.93Å; M96-Y229 VanDerWaalsContact CE-CZ 3.45Å; H138-Y229 PolarHBondContact O-N 3.08Å; M139-Y229 WeakPolarHBondContact CA-O 3.41Å; M139-Y229 HydrophobicContact CB-CD1 4.39Å; M139-Y229 HydrophobicContact CE-CD1 4Å; M139-Y229 HydrophobicContact CE-CE1 3.69Å; M139-Y229 HydrophobicContact CG-CD1 3.72Å; M139-Y229 HydrophobicContact CG-CE1 4.35Å; M139-Y229 HydrophobicContact SD-CD1 3.75Å; M139-Y229 HydrophobicContact SD-CE1 3.94Å; V140-Y229 PolarHBondContact N-O 2.8Å; F159-Y229 HydrophobicContact CE1-CD1 4.47Å; F159-Y229 HydrophobicContact CE2-CD1 4.42Å; F159-Y229 AromaticContact CZ-CD1 3.76Å; F159-Y229 HydrophobicContact CZ-CD1 3.76Å; F159-Y229 HydrophobicContact CZ-CG 4.22Å; Y229-A231 HydrophobicContact CD1-CB 4.39Å; Y229-A231 HydrophobicContact CE1-CB 3.76Å; Y229-A231 HydrophobicContact CE2-CB 4.04Å
230	L	98.9	Very high	97.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	92.9	-178.1	-175.4	57.7	0	0	0	110.2	F46 I47 L48 V140 F208 A212 L228 Y232 L274	F46-L230 PolarHBondContact O-N 2.92Å; I47-L230 WeakPolarHBondContact CA-O 3.26Å; L48-L230 PolarHBondContact N-O 3.44Å; V140-L230 HydrophobicContact CB-CD1 3.73Å; V140-L230 HydrophobicContact CG1-CD1 3.85Å; V140-L230 CarbonylContact O-C 3.56Å; V140-L230 WeakPolarHBondContact O-CA 3.37Å; F208-L230 HydrophobicContact CB-CD1 4.33Å; A212-L230 HydrophobicContact CB-CD1 4.25Å; A212-L230 HydrophobicContact CB-CD2 4.23Å; L228-L230 HydrophobicContact CG-CB 4.42Å; L230-Y232 HydrophobicContact CD1-CE2 4.23Å; L230-Y232 HydrophobicContact CD2-CD2 4.35Å; L230-Y232 HydrophobicContact CD2-CE2 3.41Å; L230-Y232 VanDerWaalsContact CD2-CE2 3.41Å; L230-Y232 WeakPolarHBondContact CD2-OH 3.3Å; L230-Y232 HydrophobicContact CG-CD2 3.96Å; L230-Y232 HydrophobicContact CG-CE2 3.49Å; L230-Y232 VanDerWaalsContact CG-CE2 3.49Å; L230-Y232 PolarHBondContact O-N 2.82Å; L230-L274 HydrophobicContact CD2-CD2 3.66Å
231	A	98.9	Very high	97.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	79.6	-174.2	0	0	0	0	0	111.1	L48 M139 V140 G141 K142 Y229 Q233	L48-A231 CarbonylContact O-C 3.15Å; L48-A231 WeakPolarHBondContact O-CA 3.18Å; M139-A231 HydrophobicContact CE-CB 4.35Å; V140-A231 PolarHBondContact O-N 3.34Å; G141-A231 CarbonylContact C-O 3.4Å; G141-A231 VanDerWaalsContact CA-O 3.3Å; G141-A231 WeakPolarHBondContact CA-O 3.33Å; K142-A231 PolarHBondContact N-O 3.39Å; K142-A231 WeakPolarHBondContact O-CB 3.26Å; Y229-A231 HydrophobicContact CD1-CB 4.39Å; Y229-A231 HydrophobicContact CE1-CB 3.76Å; Y229-A231 HydrophobicContact CE2-CB 4.04Å; A231-Q233 PolarHBondContact O-N 3.43Å
232	Y	98.9	Very high	97.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.147	C	C	.	.			trans	-58.4	140.6	-178.9	-76.6	-76.3	0	0	0	112.2	I47 L48 V49 T205 F208 T209 L230 L267 A270 I271	I47-Y232 HydrophobicContact CG2-CD2 3.96Å; I47-Y232 HydrophobicContact CG2-CE2 4Å; L48-Y232 PolarHBondContact O-N 3.33Å; V49-Y232 HydrophobicContact CG1-CD2 4.42Å; T205-Y232 HydrophobicContact CG2-CD1 3.94Å; T205-Y232 HydrophobicContact CG2-CE1 3.86Å; F208-Y232 HydrophobicContact CB-CD1 4.41Å; F208-Y232 HydrophobicContact CB-CE1 4.2Å; F208-Y232 HydrophobicContact CD2-CD1 4.41Å; T209-Y232 WeakPolarHBondContact OG1-CE1 3.38Å; T209-Y232 PolarHBondContact OG1-OH 2.92Å; L230-Y232 HydrophobicContact CD1-CE2 4.23Å; L230-Y232 HydrophobicContact CD2-CD2 4.35Å; L230-Y232 HydrophobicContact CD2-CE2 3.41Å; L230-Y232 VanDerWaalsContact CD2-CE2 3.41Å; L230-Y232 WeakPolarHBondContact CD2-OH 3.3Å; L230-Y232 HydrophobicContact CG-CD2 3.96Å; L230-Y232 HydrophobicContact CG-CE2 3.49Å; L230-Y232 VanDerWaalsContact CG-CE2 3.49Å; L230-Y232 PolarHBondContact O-N 2.82Å; Y232-L267 HydrophobicContact CD1-CD1 4.17Å; Y232-L267 HydrophobicContact CD2-CD1 3.62Å; Y232-L267 HydrophobicContact CE1-CD1 4.44Å; Y232-L267 HydrophobicContact CE2-CD1 3.91Å; Y232-L267 HydrophobicContact CG-CD1 3.74Å; Y232-A270 HydrophobicContact CE1-CB 4.29Å; Y232-I271 HydrophobicContact CD2-CD1 4.37Å; Y232-I271 HydrophobicContact CE2-CD1 3.56Å
233	Q	98.5	Very high	97.8	Very high	8 Å²	8	27.1 Å²	27.1	4%	0.037	15%	0.151	C	C	.	.			trans	-66.8	-30.6	163.4	-177.9	-174.9	-2.2	0	0	110.9	D50 G170 Y172 S204 F208 A231 V235 H236	D50-Q233 WeakPolarHBondContact CB-O 3.45Å; G170-Q233 PolarHBondContact O-NE2 3.43Å; Y172-Q233 HydrophobicContact CD1-CG 4.42Å; Y172-Q233 VanDerWaalsContact CD2-NE2 3.34Å; Y172-Q233 HydrophobicContact CE1-CB 4.16Å; Y172-Q233 HydrophobicContact CE1-CG 3.85Å; Y172-Q233 HydrophobicContact CE2-CG 4.13Å; Y172-Q233 PolarHBondContact OH-O 3.16Å; Y172-Q233 VanDerWaalsContact OH-O 3.04Å; S204-Q233 VanDerWaalsContact CB-OE1 3.32Å; S204-Q233 PolarHBondContact OG-OE1 3.27Å; F208-Q233 HydrophobicContact CE2-CB 4.19Å; A231-Q233 PolarHBondContact O-N 3.43Å; Q233-V235 PolarHBondContact O-N 3.24Å; Q233-H236 WeakPolarHBondContact O-CB 3.45Å; Q233-H236 PolarHBondContact O-N 3.38Å
234	A	98.3	Very high	97.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	131.7	175.7	0	0	0	0	0	110.1	D50 Y172 T205 L267	D50-A234 PolarHBondContact N-O 3.49Å; D50-A234 CarbonylContact O-C 3.46Å; Y172-A234 WeakPolarHBondContact OH-CA 3.43Å; T205-A234 HydrophobicContact CG2-CB 4.45Å; T205-A234 WeakPolarHBondContact OG1-CB 3.41Å; A234-L267 HydrophobicContact CB-CB 4.18Å; A234-L267 HydrophobicContact CB-CD1 4.33Å; A234-L267 HydrophobicContact CB-CD2 4.24Å; A234-L267 HydrophobicContact CB-CG 4.49Å
235	V	97.9	Very high	98	Very high	1 Å²	1	24 Å²	24	1%	0.006	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	cis	-117.3	32.6	9.2	-69.8	0	0	0	0	112.8	D50 Q52 Q233 Y260 M263 V264 L267	D50-V235 CarbonylContact O-C 3.54Å; D50-V235 PolarHBondContact O-N 2.96Å; Q52-V235 HydrophobicContact CB-CG2 4.33Å; Q233-V235 PolarHBondContact O-N 3.24Å; V235-Y260 HydrophobicContact CB-CD2 4.31Å; V235-Y260 HydrophobicContact CB-CE2 3.84Å; V235-Y260 HydrophobicContact CG2-CD2 4.28Å; V235-Y260 HydrophobicContact CG2-CE1 4.2Å; V235-Y260 HydrophobicContact CG2-CE2 3.37Å; V235-Y260 WeakPolarHBondContact CG2-OH 3.39Å; V235-M263 HydrophobicContact CB-CB 4.32Å; V235-M263 HydrophobicContact CG1-CB 3.83Å; V235-V264 HydrophobicContact CB-CG2 4.19Å; V235-V264 HydrophobicContact CG1-CB 4.3Å; V235-V264 HydrophobicContact CG1-CG2 3.66Å; V235-V264 HydrophobicContact CG2-CG2 3.95Å; V235-L267 HydrophobicContact CG1-CD2 4.17Å
236	H	98.6	Very high	97.8	Very high	20 Å²	20	26.4 Å²	26.4	9%	0.093	14%	0.144	C	C	.	.	S	Bend	trans	-63	153	179	-167.6	-80.9	0	0	0	112	D50 D51 Y172 Q233 K312	D50-H236 HydrophobicContact CB-CB 3.86Å; D50-H236 VanDerWaalsContact CG-CB 3.44Å; D50-H236 PolarHBondContact O-N 2.79Å; D50-H236 IonicContact OD1-CD2 3.72Å; D50-H236 PolarHBondContact OD1-CD2 2.77Å; D50-H236 VanDerWaalsContact OD1-CD2 3.23Å; D50-H236 IonicContact OD1-CG 3.63Å; D50-H236 WeakPolarHBondContact OD2-CB 3.42Å; D50-H236 IonicContact OD2-CD2 2.66Å; D50-H236 IonicContact OD2-CG 3.52Å; D51-H236 IonicContact OD1-CD2 3.89Å; D51-H236 IonicContact OD2-CD2 3.61Å; D51-H236 PolarHBondContact OD2-CD2 3.25Å; D51-H236 IonicContact OD2-CG 3.27Å; D51-H236 IonicContact OD2-NE2 2.73Å; Y172-H236 VanDerWaalsContact CE2-O 3.22Å; Y172-H236 WeakPolarHBondContact CE2-O 3.33Å; Y172-H236 PolarHBondContact OH-N 3.36Å; Y172-H236 PolarHBondContact OH-O 3.49Å; Q233-H236 WeakPolarHBondContact O-CB 3.45Å; Q233-H236 PolarHBondContact O-N 3.38Å; H236-K312 PolarHBondContact CD2-NZ 3.26Å; H236-K312 PolarHBondContact NE2-NZ 3.02Å
237	S	96.5	Very high	97.6	Very high	44 Å²	44	31.8 Å²	31.8	31%	0.308	17%	0.169	S	C	.	.	S	Bend	trans	-59.4	153.3	171.4	64.7	0	0	0	0	112.8
238	P	97.9	Very high	97.4	Very high	50 Å²	50	39.3 Å²	39.3	33%	0.325	20%	0.197	S	C	.	.	S	Bend	cis	-71.9	153.5	3.4	31.4	-36.2	0	0	0	113.5	G170 Y172 Q240	G170-P238 WeakPolarHBondContact O-CD 3.16Å; Y172-P238 HydrophobicContact CD2-CG 4.28Å; Y172-P238 WeakPolarHBondContact CD2-O 3.34Å; Y172-P238 WeakPolarHBondContact CE2-O 3.42Å; P238-Q240 HydrophobicContact CB-CG 4.38Å; P238-Q240 HydrophobicContact CG-CG 4.35Å; P238-Q240 PolarHBondContact O-N 2.94Å
239	L	98	Very high	97.2	Very high	24 Å²	24	39.8 Å²	39.8	13%	0.126	20%	0.199	C	C	.	.			trans	-81.6	86.7	-177.3	-55.9	-176.9	0	0	0	111.3	H256 K259 Y260 M263 A301	L239-H256 HydrophobicContact CD1-CB 3.62Å; L239-H256 WeakPolarHBondContact CD1-ND1 3.38Å; L239-H256 WeakPolarHBondContact CD1-O 3.49Å; L239-K259 HydrophobicContact CB-CB 3.95Å; L239-K259 HydrophobicContact CB-CD 4.15Å; L239-Y260 HydrophobicContact CD2-CD2 4.29Å; L239-M263 HydrophobicContact CB-SD 4.16Å; L239-M263 HydrophobicContact CD2-CE 4.48Å; L239-M263 HydrophobicContact CD2-SD 3.79Å; L239-A301 WeakPolarHBondContact CD1-O 3.48Å; L239-A301 HydrophobicContact CD2-CB 4.41Å; L239-A301 VanDerWaalsContact CD2-O 3.26Å; L239-A301 WeakPolarHBondContact CD2-O 3.47Å
240	Q	98.4	Very high	96.9	Very high	50 Å²	50	46 Å²	46	23%	0.234	23%	0.226	C	C	.	.			trans	-125.1	137.6	-178.1	-70.3	172.9	-33.7	0	0	109.2	D171 Y172 Y173 Y203 P238 M263	D171-Q240 PolarHBondContact OD2-NE2 3.37Å; D171-Q240 PolarHBondContact OD2-OE1 3.28Å; Y172-Q240 HydrophobicContact CD2-CB 4.03Å; Y172-Q240 HydrophobicContact CG-CB 4.28Å; Y173-Q240 HydrophobicContact CD2-CB 4.4Å; Y173-Q240 HydrophobicContact CE2-CB 4.05Å; Y203-Q240 HydrophobicContact CE2-CB 4.46Å; Y203-Q240 WeakPolarHBondContact CE2-O 3.38Å; Y203-Q240 VanDerWaalsContact CZ-O 3.29Å; Y203-Q240 PolarHBondContact OH-O 2.8Å; P238-Q240 HydrophobicContact CB-CG 4.38Å; P238-Q240 HydrophobicContact CG-CG 4.35Å; P238-Q240 PolarHBondContact O-N 2.94Å; Q240-M263 VanDerWaalsContact O-CG 3.32Å; Q240-M263 WeakPolarHBondContact O-CG 3.32Å
241	V	97.7	Very high	96.5	Very high	15 Å²	15	49.2 Å²	49.2	9%	0.091	26%	0.259	C	S	.	.			trans	-158.5	150.4	-178.7	66.3	0	0	0	0	109.8	Y173 A243 Y245 L246 A262 M263 C266	Y173-V241 PolarHBondContact OH-O 2.96Å; V241-A243 PolarHBondContact O-N 2.71Å; V241-Y245 HydrophobicContact CG2-CD2 3.92Å; V241-Y245 HydrophobicContact CG2-CG 4.21Å; V241-L246 HydrophobicContact CG1-CD1 4.46Å; V241-L246 HydrophobicContact CG1-CD2 3.71Å; V241-L246 HydrophobicContact CG1-CG 3.94Å; V241-A262 HydrophobicContact CB-CB 4.47Å; V241-A262 HydrophobicContact CG1-CB 3.84Å; V241-A262 HydrophobicContact CG2-CB 4.06Å; V241-M263 HydrophobicContact CB-CG 3.71Å; V241-M263 HydrophobicContact CG2-CG 4.12Å; V241-C266 HydrophobicContact CG2-CB 4.34Å
242	P	97.4	Very high	96.2	Very high	27 Å²	27	49.8 Å²	49.8	18%	0.175	26%	0.262	C	S	.	.			trans	-59.4	136.6	171.7	-26.4	35.5	0	0	0	111.6	Y173 Y203 R244 Y245	Y173-P242 WeakPolarHBondContact OH-CA 3.49Å; Y173-P242 VanDerWaalsContact OH-N 3.07Å; Y203-P242 HydrophobicContact CD1-CG 4.15Å; Y203-P242 HydrophobicContact CG-CG 4.02Å; P242-R244 HydrophobicContact CB-CG 4.43Å; P242-R244 PolarHBondContact O-N 3.14Å; P242-Y245 HydrophobicContact CB-CD2 3.97Å; P242-Y245 HydrophobicContact CB-CE2 4.12Å; P242-Y245 HydrophobicContact CG-CD2 4.29Å; P242-Y245 HydrophobicContact CG-CE2 4.19Å; P242-Y245 PolarHBondContact O-N 3.5Å; P242-Y245 VanDerWaalsContact O-N 3.09Å
243	A	95.5	Very high	95.7	Very high	78 Å²	78	52 Å²	52	65%	0.645	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-55.7	-32.4	-170.4	0	0	0	0	0	113.8	V241 Y245 L246	V241-A243 PolarHBondContact O-N 2.71Å; A243-Y245 PolarHBondContact O-N 2.95Å; A243-Y245 VanDerWaalsContact O-N 3.08Å; A243-L246 WeakPolarHBondContact O-CB 3.11Å; A243-L246 PolarHBondContact O-N 3.28Å
244	R	95.8	Very high	95.2	Very high	166 Å²	166	51.8 Å²	51.8	63%	0.626	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-55.4	-26.9	179.2	71.8	-178.1	-172.5	-179.7	6.3	114.3	P242 E269	P242-R244 HydrophobicContact CB-CG 4.43Å; P242-R244 PolarHBondContact O-N 3.14Å; R244-E269 IonicContact NH2-OE1 3.73Å; R244-E269 PolarHBondContact NH2-OE1 2.81Å; R244-E269 IonicContact NH2-OE2 2.88Å
245	Y	97.3	Very high	94.9	Very high	14 Å²	14	54.5 Å²	54.5	6%	0.055	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-82.2	-18.9	179.4	-66	-78.7	0	0	0	113.5	V241 P242 A243 A262 C266 E269	V241-Y245 HydrophobicContact CG2-CD2 3.92Å; V241-Y245 HydrophobicContact CG2-CG 4.21Å; P242-Y245 HydrophobicContact CB-CD2 3.97Å; P242-Y245 HydrophobicContact CB-CE2 4.12Å; P242-Y245 HydrophobicContact CG-CD2 4.29Å; P242-Y245 HydrophobicContact CG-CE2 4.19Å; P242-Y245 PolarHBondContact O-N 3.5Å; P242-Y245 VanDerWaalsContact O-N 3.09Å; A243-Y245 PolarHBondContact O-N 2.95Å; A243-Y245 VanDerWaalsContact O-N 3.08Å; Y245-A262 WeakPolarHBondContact O-CB 3.47Å; Y245-C266 HydrophobicContact CD1-CB 4.22Å; Y245-C266 HydrophobicContact CD2-CB 3.95Å; Y245-C266 HydrophobicContact CE1-CB 4.02Å; Y245-C266 HydrophobicContact CE2-CB 3.71Å; Y245-C266 HydrophobicContact CG-CB 4.2Å; Y245-E269 VanDerWaalsContact CE1-OE2 3.29Å; Y245-E269 WeakPolarHBondContact CE1-OE2 3.46Å; Y245-E269 PolarHBondContact OH-OE1 3.12Å; Y245-E269 PolarHBondContact OH-OE2 2.74Å
246	L	95	Very high	94.7	Very high	54 Å²	54	58.8 Å²	58.8	28%	0.283	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-33.9	-174.6	-68.1	170.8	0	0	0	112.7	V241 A243 R248 Y249 K250 K259 A262	V241-L246 HydrophobicContact CG1-CD1 4.46Å; V241-L246 HydrophobicContact CG1-CD2 3.71Å; V241-L246 HydrophobicContact CG1-CG 3.94Å; A243-L246 WeakPolarHBondContact O-CB 3.11Å; A243-L246 PolarHBondContact O-N 3.28Å; L246-R248 VanDerWaalsContact C-N 3.27Å; L246-R248 PolarHBondContact O-N 2.71Å; L246-Y249 CarbonylContact O-C 3.37Å; L246-Y249 PolarHBondContact O-N 3.43Å; L246-K250 PolarHBondContact O-N 2.9Å; L246-K259 HydrophobicContact CD2-CG 4.06Å; L246-A262 HydrophobicContact CD2-CB 3.85Å; L246-A262 HydrophobicContact CG-CB 4.44Å
247	E	93.3	Very high	94.5	Very high	114 Å²	114	57.8 Å²	57.8	53%	0.533	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-59.2	-39.2	-174.3	-177	55.6	-155.4	0	0	112	Y249 K250	E247-Y249 PolarHBondContact O-N 3Å; E247-Y249 VanDerWaalsContact O-N 3.09Å; E247-K250 WeakPolarHBondContact O-CG 3.25Å; E247-K250 PolarHBondContact O-N 2.81Å; E247-K250 WeakPolarHBondContact OE1-CD 3.42Å; E247-K250 WeakPolarHBondContact OE1-CE 3.4Å; E247-K250 IonicContact OE1-NZ 2.62Å; E247-K250 PolarHBondContact OE1-NZ 2.98Å
248	R	94.3	Very high	94.5	Very high	160 Å²	160	59.5 Å²	59.5	60%	0.604	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-57.6	-26.9	177.2	-175.4	177.5	-69.1	171.8	0.6	113	L246	L246-R248 VanDerWaalsContact C-N 3.27Å; L246-R248 PolarHBondContact O-N 2.71Å
249	Y	95.3	Very high	94.5	Very high	10 Å²	10	61.7 Å²	61.7	4%	0.039	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-113.9	16.5	-173.6	-60.9	-68.9	0	0	0	113.7	K65 L246 E247 G251 I252 R258 A261 A262 S265	K65-Y249 WeakPolarHBondContact CB-OH 3.34Å; K65-Y249 HydrophobicContact CG-CE1 4.47Å; K65-Y249 PolarHBondContact N-OH 3.37Å; L246-Y249 CarbonylContact O-C 3.37Å; L246-Y249 PolarHBondContact O-N 3.43Å; E247-Y249 PolarHBondContact O-N 3Å; E247-Y249 VanDerWaalsContact O-N 3.09Å; Y249-G251 PolarHBondContact O-N 3Å; Y249-I252 HydrophobicContact CD1-CD1 3.73Å; Y249-I252 HydrophobicContact CD1-CG1 4.47Å; Y249-I252 HydrophobicContact CG-CD1 4.2Å; Y249-I252 WeakPolarHBondContact O-CB 3.22Å; Y249-I252 PolarHBondContact O-N 3.29Å; Y249-R258 WeakPolarHBondContact O-CG 3.35Å; Y249-A261 HydrophobicContact CD1-CB 3.83Å; Y249-A261 HydrophobicContact CD2-CB 3.95Å; Y249-A261 HydrophobicContact CE1-CB 4.03Å; Y249-A261 HydrophobicContact CE2-CB 4.14Å; Y249-A261 WeakPolarHBondContact CE2-O 3.23Å; Y249-A261 HydrophobicContact CG-CB 3.78Å; Y249-A262 HydrophobicContact CD2-CB 4.15Å; Y249-S265 WeakPolarHBondContact CE2-OG 3.45Å; Y249-S265 PolarHBondContact OH-OG 3.09Å
250	K	92.9	Very high	94.5	Very high	130 Å²	130	60.7 Å²	60.7	57%	0.565	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-28.9	178.9	67.6	-178	169.8	-166.2	0	114.1	L246 E247 I252 R258	L246-K250 PolarHBondContact O-N 2.9Å; E247-K250 WeakPolarHBondContact O-CG 3.25Å; E247-K250 PolarHBondContact O-N 2.81Å; E247-K250 WeakPolarHBondContact OE1-CD 3.42Å; E247-K250 WeakPolarHBondContact OE1-CE 3.4Å; E247-K250 IonicContact OE1-NZ 2.62Å; E247-K250 PolarHBondContact OE1-NZ 2.98Å; K250-I252 VanDerWaalsContact C-N 3.31Å; K250-I252 PolarHBondContact O-N 3.35Å; K250-R258 VanDerWaalsContact O-CZ 3.31Å; K250-R258 PolarHBondContact O-NH2 2.79Å
251	G	90.8	Very high	94.5	Very high	68 Å²	68	58.3 Å²	58.3	70%	0.701	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-14.4	177.1	0	0	0	0	0	115.2	Y249 P253	Y249-G251 PolarHBondContact O-N 3Å; G251-P253 WeakPolarHBondContact O-CD 3.42Å
252	I	91.6	Very high	94.5	Very high	12 Å²	12	57.6 Å²	57.6	6%	0.062	29%	0.292	C	S	.	.			trans	-77.7	112	176	-62	-174.6	0	0	0	108.7	E63 Y249 K250 N254 R257 R258 A261 T438	E63-I252 HydrophobicContact CG-CD1 4.16Å; Y249-I252 HydrophobicContact CD1-CD1 3.73Å; Y249-I252 HydrophobicContact CD1-CG1 4.47Å; Y249-I252 HydrophobicContact CG-CD1 4.2Å; Y249-I252 WeakPolarHBondContact O-CB 3.22Å; Y249-I252 PolarHBondContact O-N 3.29Å; K250-I252 VanDerWaalsContact C-N 3.31Å; K250-I252 PolarHBondContact O-N 3.35Å; I252-N254 PolarHBondContact O-N 3.5Å; I252-R257 HydrophobicContact CD1-CG 4.45Å; I252-R257 HydrophobicContact CG2-CB 3.84Å; I252-R257 HydrophobicContact CG2-CG 3.74Å; I252-R258 HydrophobicContact CB-CB 4.15Å; I252-R258 HydrophobicContact CG2-CB 4.17Å; I252-R258 PolarHBondContact O-NE 3.31Å; I252-R258 PolarHBondContact O-NH2 2.77Å; I252-A261 HydrophobicContact CD1-CB 3.89Å; I252-T438 HydrophobicContact CD1-CG2 4.29Å; I252-T438 HydrophobicContact CG1-CG2 4.07Å; I252-T438 HydrophobicContact CG2-CG2 4.17Å
253	P	88.4	Confident	94.6	Very high	47 Å²	47	56.3 Å²	56.3	31%	0.305	28%	0.284	S	S	.	.			trans	-67.1	-38.6	-173.5	-22	35	0	0	0	113	G251 P255	G251-P253 WeakPolarHBondContact O-CD 3.42Å; P253-P255 WeakPolarHBondContact O-CD 3.34Å
254	N	89	Confident	94.7	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.016	25%	0.253	C	S	.	.			trans	-68.6	118.5	179.4	-179.1	-48.8	0	0	0	111	I252 H256 R257 R258 Q437	I252-N254 PolarHBondContact O-N 3.5Å; N254-H256 PolarHBondContact O-N 2.85Å; N254-H256 WeakPolarHBondContact OD1-CA 3.42Å; N254-H256 WeakPolarHBondContact OD1-CB 3.41Å; N254-H256 PolarHBondContact OD1-N 3.47Å; N254-R257 HydrophobicContact CB-CB 3.94Å; N254-R257 PolarHBondContact O-N 2.81Å; N254-R257 PolarHBondContact OD1-N 3.37Å; N254-R258 WeakPolarHBondContact O-CB 3.38Å; N254-R258 PolarHBondContact O-N 2.97Å; N254-Q437 HydrophobicContact CB-CB 4.31Å; N254-Q437 PolarHBondContact ND2-OE1 3.48Å
255	P	91.4	Very high	94.9	Very high	58 Å²	58	44.8 Å²	44.8	38%	0.377	22%	0.224	S	C	.	.	H	α-helix	trans	-68.8	-32.2	-175.1	26.9	-34.7	0	0	0	113.6	P253 K259	P253-P255 WeakPolarHBondContact O-CD 3.34Å; P255-K259 WeakPolarHBondContact O-CG 3.48Å; P255-K259 PolarHBondContact O-N 3.02Å; P255-K259 VanDerWaalsContact O-N 3.08Å
256	H	93.6	Very high	94.9	Very high	90 Å²	90	44.3 Å²	44.3	42%	0.417	22%	0.222	S	C	.	.	H	α-helix	trans	-67.5	-49.9	175.1	-67.3	-71	0	0	0	110.1	L239 N254 R258 K259 Y260	L239-H256 HydrophobicContact CD1-CB 3.62Å; L239-H256 WeakPolarHBondContact CD1-ND1 3.38Å; L239-H256 WeakPolarHBondContact CD1-O 3.49Å; N254-H256 PolarHBondContact O-N 2.85Å; N254-H256 WeakPolarHBondContact OD1-CA 3.42Å; N254-H256 WeakPolarHBondContact OD1-CB 3.41Å; N254-H256 PolarHBondContact OD1-N 3.47Å; H256-R258 VanDerWaalsContact C-N 3.3Å; H256-R258 PolarHBondContact O-N 2.99Å; H256-K259 PolarHBondContact O-N 2.93Å; H256-Y260 VanDerWaalsContact O-CB 3.25Å; H256-Y260 WeakPolarHBondContact O-CB 3.33Å; H256-Y260 PolarHBondContact O-N 3.07Å
257	R	95.3	Very high	95.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.8	-40.8	175.4	-174.7	60.7	174.5	175.9	-1.8	112.3	D56 E63 I252 N254 Y260 A261 G302 Q437	D56-R257 IonicContact OD1-CZ 2.79Å; D56-R257 IonicContact OD1-NH1 3.79Å; D56-R257 PolarHBondContact OD1-NH1 3.31Å; D56-R257 IonicContact OD1-NH2 2.91Å; D56-R257 PolarHBondContact OD1-NH2 2.91Å; D56-R257 IonicContact OD2-NH1 3.74Å; E63-R257 IonicContact OE1-CZ 3.71Å; E63-R257 IonicContact OE1-NE 3.95Å; E63-R257 PolarHBondContact OE1-NE 2.95Å; E63-R257 IonicContact OE1-NH2 3.84Å; E63-R257 PolarHBondContact OE1-NH2 2.7Å; E63-R257 IonicContact OE2-NH2 3.34Å; I252-R257 HydrophobicContact CD1-CG 4.45Å; I252-R257 HydrophobicContact CG2-CB 3.84Å; I252-R257 HydrophobicContact CG2-CG 3.74Å; N254-R257 HydrophobicContact CB-CB 3.94Å; N254-R257 PolarHBondContact O-N 2.81Å; N254-R257 PolarHBondContact OD1-N 3.37Å; R257-Y260 PolarHBondContact O-N 2.91Å; R257-A261 VanDerWaalsContact O-CB 3.28Å; R257-A261 WeakPolarHBondContact O-CB 3.41Å; R257-A261 PolarHBondContact O-N 2.82Å; R257-G302 WeakPolarHBondContact CD-O 3.42Å; R257-G302 PolarHBondContact NH1-O 3.23Å; R257-Q437 HydrophobicContact CB-CB 3.93Å; R257-Q437 HydrophobicContact CG-CB 4.02Å
258	R	95.4	Very high	95.4	Very high	80 Å²	80	36.5 Å²	36.5	30%	0.302	19%	0.185	S	C	.	.	H	α-helix	trans	-60.8	-49.6	177.9	-175.3	-176.8	-50.8	-178.4	3.3	112	Y249 K250 I252 N254 H256 A261 A262	Y249-R258 WeakPolarHBondContact O-CG 3.35Å; K250-R258 VanDerWaalsContact O-CZ 3.31Å; K250-R258 PolarHBondContact O-NH2 2.79Å; I252-R258 HydrophobicContact CB-CB 4.15Å; I252-R258 HydrophobicContact CG2-CB 4.17Å; I252-R258 PolarHBondContact O-NE 3.31Å; I252-R258 PolarHBondContact O-NH2 2.77Å; N254-R258 WeakPolarHBondContact O-CB 3.38Å; N254-R258 PolarHBondContact O-N 2.97Å; H256-R258 VanDerWaalsContact C-N 3.3Å; H256-R258 PolarHBondContact O-N 2.99Å; R258-A261 PolarHBondContact O-N 2.75Å; R258-A262 PolarHBondContact O-N 3.38Å; R258-A262 VanDerWaalsContact O-N 3.14Å
259	K	97.4	Very high	95.6	Very high	96 Å²	96	32.1 Å²	32.1	42%	0.417	17%	0.171	S	C	.	.	H	α-helix	trans	-63.9	-44	177.1	-71.1	179	177.3	-171.3	0	111	L239 L246 P255 H256 A261 A262 M263	L239-K259 HydrophobicContact CB-CB 3.95Å; L239-K259 HydrophobicContact CB-CD 4.15Å; L246-K259 HydrophobicContact CD2-CG 4.06Å; P255-K259 WeakPolarHBondContact O-CG 3.48Å; P255-K259 PolarHBondContact O-N 3.02Å; P255-K259 VanDerWaalsContact O-N 3.08Å; H256-K259 PolarHBondContact O-N 2.93Å; K259-A261 PolarHBondContact O-N 3.4Å; K259-A262 WeakPolarHBondContact O-CB 3.29Å; K259-A262 PolarHBondContact O-N 2.79Å; K259-M263 VanDerWaalsContact O-CG 3.28Å; K259-M263 WeakPolarHBondContact O-CG 3.47Å; K259-M263 PolarHBondContact O-N 2.78Å
260	Y	98.4	Very high	95.8	Very high	2 Å²	2	32 Å²	32	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-58.9	-47.1	176.3	-176	-85.5	0	0	0	112.3	D51 Q52 G53 D56 I64 V235 L239 H256 R257 A262 M263 V264 A301 G302	D51-Y260 PolarHBondContact O-OH 3.46Å; Q52-Y260 WeakPolarHBondContact CA-OH 3.31Å; G53-Y260 PolarHBondContact N-OH 3.34Å; D56-Y260 HydrophobicContact CB-CE1 4.02Å; D56-Y260 WeakPolarHBondContact OD2-CE1 3.48Å; D56-Y260 PolarHBondContact OD2-OH 2.85Å; I64-Y260 HydrophobicContact CD1-CD1 3.98Å; I64-Y260 HydrophobicContact CD1-CE1 4.09Å; V235-Y260 HydrophobicContact CB-CD2 4.31Å; V235-Y260 HydrophobicContact CB-CE2 3.84Å; V235-Y260 HydrophobicContact CG2-CD2 4.28Å; V235-Y260 HydrophobicContact CG2-CE1 4.2Å; V235-Y260 HydrophobicContact CG2-CE2 3.37Å; V235-Y260 WeakPolarHBondContact CG2-OH 3.39Å; L239-Y260 HydrophobicContact CD2-CD2 4.29Å; H256-Y260 VanDerWaalsContact O-CB 3.25Å; H256-Y260 WeakPolarHBondContact O-CB 3.33Å; H256-Y260 PolarHBondContact O-N 3.07Å; R257-Y260 PolarHBondContact O-N 2.91Å; Y260-A262 VanDerWaalsContact C-N 3.29Å; Y260-A262 PolarHBondContact O-N 3.03Å; Y260-M263 WeakPolarHBondContact O-CA 3.5Å; Y260-M263 WeakPolarHBondContact O-CB 3.29Å; Y260-M263 PolarHBondContact O-N 2.83Å; Y260-V264 HydrophobicContact CD1-CG2 3.9Å; Y260-V264 HydrophobicContact CE1-CG2 3.53Å; Y260-V264 WeakPolarHBondContact O-CG2 3.48Å; Y260-V264 PolarHBondContact O-N 3.41Å; Y260-A301 VanDerWaalsContact CD2-O 3.3Å; Y260-A301 WeakPolarHBondContact CD2-O 3.29Å; Y260-G302 WeakPolarHBondContact CD1-O 3.39Å
261	A	98.4	Very high	96.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.3	-40.7	176.2	0	0	0	0	0	112.6	I64 Y249 I252 R257 R258 K259 V264 S265	I64-A261 HydrophobicContact CD1-CB 4.03Å; I64-A261 HydrophobicContact CG1-CB 3.71Å; I64-A261 HydrophobicContact CG2-CB 4.31Å; Y249-A261 HydrophobicContact CD1-CB 3.83Å; Y249-A261 HydrophobicContact CD2-CB 3.95Å; Y249-A261 HydrophobicContact CE1-CB 4.03Å; Y249-A261 HydrophobicContact CE2-CB 4.14Å; Y249-A261 WeakPolarHBondContact CE2-O 3.23Å; Y249-A261 HydrophobicContact CG-CB 3.78Å; I252-A261 HydrophobicContact CD1-CB 3.89Å; R257-A261 VanDerWaalsContact O-CB 3.28Å; R257-A261 WeakPolarHBondContact O-CB 3.41Å; R257-A261 PolarHBondContact O-N 2.82Å; R258-A261 PolarHBondContact O-N 2.75Å; K259-A261 PolarHBondContact O-N 3.4Å; A261-V264 PolarHBondContact O-N 3.05Å; A261-S265 PolarHBondContact O-N 2.88Å; A261-S265 PolarHBondContact O-OG 3.02Å
262	A	98.5	Very high	96.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.7	-40.8	173.6	0	0	0	0	0	112	V241 Y245 L246 Y249 R258 K259 Y260 S265 C266	V241-A262 HydrophobicContact CB-CB 4.47Å; V241-A262 HydrophobicContact CG1-CB 3.84Å; V241-A262 HydrophobicContact CG2-CB 4.06Å; Y245-A262 WeakPolarHBondContact O-CB 3.47Å; L246-A262 HydrophobicContact CD2-CB 3.85Å; L246-A262 HydrophobicContact CG-CB 4.44Å; Y249-A262 HydrophobicContact CD2-CB 4.15Å; R258-A262 PolarHBondContact O-N 3.38Å; R258-A262 VanDerWaalsContact O-N 3.14Å; K259-A262 WeakPolarHBondContact O-CB 3.29Å; K259-A262 PolarHBondContact O-N 2.79Å; Y260-A262 VanDerWaalsContact C-N 3.29Å; Y260-A262 PolarHBondContact O-N 3.03Å; A262-S265 PolarHBondContact O-N 2.79Å; A262-C266 PolarHBondContact O-N 2.9Å
263	M	98.9	Very high	96.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.4	-45.5	174.9	-65.1	167.3	71.1	0	0	111.7	Y172 V235 L239 Q240 V241 K259 Y260 S265 C266 L267	Y172-M263 HydrophobicContact CE1-CE 4.04Å; Y172-M263 HydrophobicContact CE2-CE 3.61Å; Y172-M263 WeakPolarHBondContact OH-CE 3.17Å; V235-M263 HydrophobicContact CB-CB 4.32Å; V235-M263 HydrophobicContact CG1-CB 3.83Å; L239-M263 HydrophobicContact CB-SD 4.16Å; L239-M263 HydrophobicContact CD2-CE 4.48Å; L239-M263 HydrophobicContact CD2-SD 3.79Å; Q240-M263 VanDerWaalsContact O-CG 3.32Å; Q240-M263 WeakPolarHBondContact O-CG 3.32Å; V241-M263 HydrophobicContact CB-CG 3.71Å; V241-M263 HydrophobicContact CG2-CG 4.12Å; K259-M263 VanDerWaalsContact O-CG 3.28Å; K259-M263 WeakPolarHBondContact O-CG 3.47Å; K259-M263 PolarHBondContact O-N 2.78Å; Y260-M263 WeakPolarHBondContact O-CA 3.5Å; Y260-M263 WeakPolarHBondContact O-CB 3.29Å; Y260-M263 PolarHBondContact O-N 2.83Å; M263-S265 PolarHBondContact O-N 2.91Å; M263-C266 WeakPolarHBondContact O-CB 3.37Å; M263-C266 PolarHBondContact O-N 3.42Å; M263-C266 VanDerWaalsContact O-N 3.17Å; M263-L267 PolarHBondContact O-N 3.24Å
264	V	98.8	Very high	97.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.3	-35.2	176	175.9	0	0	0	0	111.2	I64 T66 V235 Y260 A261 L267 D268	I64-V264 HydrophobicContact CD1-CB 4.45Å; I64-V264 HydrophobicContact CD1-CG2 4.18Å; I64-V264 HydrophobicContact CG2-CB 3.79Å; I64-V264 HydrophobicContact CG2-CG1 3.66Å; T66-V264 HydrophobicContact CG2-CG1 3.49Å; T66-V264 VanDerWaalsContact CG2-CG1 3.49Å; V235-V264 HydrophobicContact CB-CG2 4.19Å; V235-V264 HydrophobicContact CG1-CB 4.3Å; V235-V264 HydrophobicContact CG1-CG2 3.66Å; V235-V264 HydrophobicContact CG2-CG2 3.95Å; Y260-V264 HydrophobicContact CD1-CG2 3.9Å; Y260-V264 HydrophobicContact CE1-CG2 3.53Å; Y260-V264 WeakPolarHBondContact O-CG2 3.48Å; Y260-V264 PolarHBondContact O-N 3.41Å; A261-V264 PolarHBondContact O-N 3.05Å; V264-L267 WeakPolarHBondContact O-CB 3.47Å; V264-L267 PolarHBondContact O-N 3.29Å; V264-D268 PolarHBondContact O-N 3.18Å
265	S	98.6	Very high	97.7	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.021	12%	0.124	C	C	.	.	H	α-helix	trans	-71.7	-34.9	176.4	-56.9	0	0	0	0	113.2	Y249 A261 A262 M263 L267 D268 E269	Y249-S265 WeakPolarHBondContact CE2-OG 3.45Å; Y249-S265 PolarHBondContact OH-OG 3.09Å; A261-S265 PolarHBondContact O-N 2.88Å; A261-S265 PolarHBondContact O-OG 3.02Å; A262-S265 PolarHBondContact O-N 2.79Å; M263-S265 PolarHBondContact O-N 2.91Å; S265-L267 VanDerWaalsContact C-N 3.33Å; S265-D268 PolarHBondContact O-N 3.24Å; S265-E269 PolarHBondContact O-N 3.26Å
266	C	98.7	Very high	98.1	Very high	3 Å²	3	27 Å²	27	2%	0.02	13%	0.127	C	C	.	.	H	α-helix	trans	-63.5	-42	171.3	-175.1	0	0	0	0	110.7	V241 Y245 A262 M263 E269 A270	V241-C266 HydrophobicContact CG2-CB 4.34Å; Y245-C266 HydrophobicContact CD1-CB 4.22Å; Y245-C266 HydrophobicContact CD2-CB 3.95Å; Y245-C266 HydrophobicContact CE1-CB 4.02Å; Y245-C266 HydrophobicContact CE2-CB 3.71Å; Y245-C266 HydrophobicContact CG-CB 4.2Å; A262-C266 PolarHBondContact O-N 2.9Å; M263-C266 WeakPolarHBondContact O-CB 3.37Å; M263-C266 PolarHBondContact O-N 3.42Å; M263-C266 VanDerWaalsContact O-N 3.17Å; C266-E269 PolarHBondContact O-N 2.83Å; C266-A270 WeakPolarHBondContact O-CB 3.13Å; C266-A270 PolarHBondContact O-N 3.06Å
267	L	98.9	Very high	98.3	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62	-44.2	172.7	173.7	63.2	0	0	0	112.1	V49 Y232 A234 V235 M263 V264 S265 E269 A270 I271	V49-L267 HydrophobicContact CB-CD2 4.11Å; V49-L267 HydrophobicContact CG1-CD1 4.08Å; V49-L267 HydrophobicContact CG1-CD2 3.74Å; V49-L267 HydrophobicContact CG1-CG 4.45Å; Y232-L267 HydrophobicContact CD1-CD1 4.17Å; Y232-L267 HydrophobicContact CD2-CD1 3.62Å; Y232-L267 HydrophobicContact CE1-CD1 4.44Å; Y232-L267 HydrophobicContact CE2-CD1 3.91Å; Y232-L267 HydrophobicContact CG-CD1 3.74Å; A234-L267 HydrophobicContact CB-CB 4.18Å; A234-L267 HydrophobicContact CB-CD1 4.33Å; A234-L267 HydrophobicContact CB-CD2 4.24Å; A234-L267 HydrophobicContact CB-CG 4.49Å; V235-L267 HydrophobicContact CG1-CD2 4.17Å; M263-L267 PolarHBondContact O-N 3.24Å; V264-L267 WeakPolarHBondContact O-CB 3.47Å; V264-L267 PolarHBondContact O-N 3.29Å; S265-L267 VanDerWaalsContact C-N 3.33Å; L267-E269 VanDerWaalsContact C-N 3.34Å; L267-E269 PolarHBondContact O-N 3.35Å; L267-A270 WeakPolarHBondContact O-CA 3.2Å; L267-A270 WeakPolarHBondContact O-CB 3.33Å; L267-A270 PolarHBondContact O-N 3.28Å; L267-A270 VanDerWaalsContact O-N 3.12Å; L267-I271 HydrophobicContact CD1-CD1 4.02Å; L267-I271 HydrophobicContact CD1-CG1 4.37Å; L267-I271 WeakPolarHBondContact O-CG1 3.33Å; L267-I271 PolarHBondContact O-N 3.05Å
268	D	98.9	Very high	98.5	Very high	5 Å²	5	23 Å²	23	3%	0.027	11%	0.11	C	C	.	.	H	α-helix	trans	-59.9	-41.5	176.4	-176.8	83.7	0	0	0	112.4	T66 P67 N68 L69 V264 S265 I271 H272	T66-D268 VanDerWaalsContact CA-OD1 3.23Å; T66-D268 WeakPolarHBondContact CA-OD1 3.08Å; T66-D268 HydrophobicContact CG2-CB 4.5Å; P67-D268 VanDerWaalsContact CD-OD2 3.25Å; P67-D268 WeakPolarHBondContact CD-OD2 3.38Å; N68-D268 WeakPolarHBondContact CA-OD1 3.47Å; N68-D268 WeakPolarHBondContact CB-OD1 3.14Å; N68-D268 PolarHBondContact N-OD1 3.46Å; N68-D268 PolarHBondContact N-OD2 2.93Å; N68-D268 PolarHBondContact ND2-OD2 3.2Å; L69-D268 WeakPolarHBondContact CG-OD1 3.16Å; L69-D268 PolarHBondContact N-OD1 2.62Å; V264-D268 PolarHBondContact O-N 3.18Å; S265-D268 PolarHBondContact O-N 3.24Å; D268-I271 PolarHBondContact O-N 3.27Å; D268-H272 PolarHBondContact O-N 3.09Å
269	E	98.8	Very high	98.7	Very high	68 Å²	68	24 Å²	24	32%	0.318	12%	0.117	S	C	.	.	H	α-helix	trans	-65.5	-38.4	172.5	-174.4	-174.5	127.4	0	0	112	R244 Y245 S265 C266 L267 I271 H272 N273	R244-E269 IonicContact NH2-OE1 3.73Å; R244-E269 PolarHBondContact NH2-OE1 2.81Å; R244-E269 IonicContact NH2-OE2 2.88Å; Y245-E269 VanDerWaalsContact CE1-OE2 3.29Å; Y245-E269 WeakPolarHBondContact CE1-OE2 3.46Å; Y245-E269 PolarHBondContact OH-OE1 3.12Å; Y245-E269 PolarHBondContact OH-OE2 2.74Å; S265-E269 PolarHBondContact O-N 3.26Å; C266-E269 PolarHBondContact O-N 2.83Å; L267-E269 VanDerWaalsContact C-N 3.34Å; L267-E269 PolarHBondContact O-N 3.35Å; E269-I271 VanDerWaalsContact C-N 3.33Å; E269-I271 PolarHBondContact O-N 2.98Å; E269-H272 VanDerWaalsContact O-CB 3.27Å; E269-H272 WeakPolarHBondContact O-CB 3.42Å; E269-H272 PolarHBondContact O-N 3.19Å; E269-N273 VanDerWaalsContact O-CG 3.29Å; E269-N273 PolarHBondContact O-N 2.87Å; E269-N273 PolarHBondContact O-ND2 2.95Å
270	A	98.8	Very high	98.7	Very high	6 Å²	6	26.5 Å²	26.5	5%	0.05	13%	0.13	C	C	.	.	H	α-helix	trans	-61	-41.9	173.8	0	0	0	0	0	112.1	T205 T209 Y232 C266 L267 H272 N273 L274	T205-A270 HydrophobicContact CG2-CB 3.87Å; T209-A270 HydrophobicContact CG2-CB 4.19Å; T209-A270 WeakPolarHBondContact OG1-CB 3.37Å; Y232-A270 HydrophobicContact CE1-CB 4.29Å; C266-A270 WeakPolarHBondContact O-CB 3.13Å; C266-A270 PolarHBondContact O-N 3.06Å; L267-A270 WeakPolarHBondContact O-CA 3.2Å; L267-A270 WeakPolarHBondContact O-CB 3.33Å; L267-A270 PolarHBondContact O-N 3.28Å; L267-A270 VanDerWaalsContact O-N 3.12Å; A270-H272 VanDerWaalsContact C-N 3.34Å; A270-N273 PolarHBondContact O-N 3.17Å; A270-L274 PolarHBondContact O-N 2.89Å
271	I	98.8	Very high	98.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-66	-38.6	175.2	-57.7	-34.2	0	0	0	110.8	I47 L69 L72 Y232 L267 D268 E269 N273 L274 T275 Y291	I47-I271 HydrophobicContact CD1-CD1 4.15Å; I47-I271 HydrophobicContact CG2-CD1 3.93Å; L69-I271 HydrophobicContact CD2-CB 4.28Å; L69-I271 HydrophobicContact CD2-CG1 3.89Å; L69-I271 HydrophobicContact CD2-CG2 4.13Å; L72-I271 HydrophobicContact CD1-CG2 3.57Å; Y232-I271 HydrophobicContact CD2-CD1 4.37Å; Y232-I271 HydrophobicContact CE2-CD1 3.56Å; L267-I271 HydrophobicContact CD1-CD1 4.02Å; L267-I271 HydrophobicContact CD1-CG1 4.37Å; L267-I271 WeakPolarHBondContact O-CG1 3.33Å; L267-I271 PolarHBondContact O-N 3.05Å; D268-I271 PolarHBondContact O-N 3.27Å; E269-I271 VanDerWaalsContact C-N 3.33Å; E269-I271 PolarHBondContact O-N 2.98Å; I271-N273 PolarHBondContact O-N 3.25Å; I271-L274 PolarHBondContact O-N 2.68Å; I271-T275 HydrophobicContact CG2-CG2 4.4Å; I271-T275 WeakPolarHBondContact O-CG2 3.42Å; I271-T275 PolarHBondContact O-N 2.84Å; I271-T275 PolarHBondContact O-OG1 2.61Å; I271-Y291 HydrophobicContact CG1-CE2 4.3Å
272	H	98.8	Very high	98.6	Very high	60 Å²	60	31.8 Å²	31.8	28%	0.278	17%	0.166	S	C	.	.	H	α-helix	trans	-54.4	-53.3	171.9	-176.4	73.8	0	0	0	111.6	N68 D268 E269 A270 L274 T275 L276	N68-H272 HydrophobicContact CB-CB 4.2Å; N68-H272 PolarHBondContact OD1-ND1 3Å; D268-H272 PolarHBondContact O-N 3.09Å; E269-H272 VanDerWaalsContact O-CB 3.27Å; E269-H272 WeakPolarHBondContact O-CB 3.42Å; E269-H272 PolarHBondContact O-N 3.19Å; A270-H272 VanDerWaalsContact C-N 3.34Å; H272-L274 VanDerWaalsContact C-N 3.32Å; H272-L274 PolarHBondContact O-N 3.07Å; H272-T275 PolarHBondContact O-N 2.78Å; H272-T275 VanDerWaalsContact O-N 3.12Å; H272-T275 PolarHBondContact O-OG1 3.02Å; H272-L276 VanDerWaalsContact NE2-CD1 3.31Å; H272-L276 WeakPolarHBondContact NE2-CD1 3.48Å; H272-L276 PolarHBondContact O-N 3.34Å
273	N	98.8	Very high	98.6	Very high	66 Å²	66	31.8 Å²	31.8	35%	0.353	17%	0.166	S	C	.	.	H	α-helix	trans	-61.2	-40.4	-178.2	-66	-21.5	0	0	0	112.2	T209 E269 A270 I271 L276 A277	T209-N273 HydrophobicContact CG2-CB 4.09Å; E269-N273 VanDerWaalsContact O-CG 3.29Å; E269-N273 PolarHBondContact O-N 2.87Å; E269-N273 PolarHBondContact O-ND2 2.95Å; A270-N273 PolarHBondContact O-N 3.17Å; I271-N273 PolarHBondContact O-N 3.25Å; N273-L276 PolarHBondContact O-N 3.01Å; N273-A277 PolarHBondContact O-N 3.26Å
274	L	98.8	Very high	98.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.6	-47	173.8	179.9	66	0	0	0	111.6	V45 I47 A212 L216 L228 L230 A270 I271 H272 L276 A277 L278	V45-L274 HydrophobicContact CG1-CD2 4.12Å; I47-L274 HydrophobicContact CD1-CD2 3.71Å; I47-L274 HydrophobicContact CG1-CD2 4.27Å; A212-L274 HydrophobicContact CB-CD1 4.16Å; L216-L274 HydrophobicContact CD1-CD1 3.94Å; L228-L274 HydrophobicContact CD2-CD1 4.4Å; L230-L274 HydrophobicContact CD2-CD2 3.66Å; A270-L274 PolarHBondContact O-N 2.89Å; I271-L274 PolarHBondContact O-N 2.68Å; H272-L274 VanDerWaalsContact C-N 3.32Å; H272-L274 PolarHBondContact O-N 3.07Å; L274-L276 VanDerWaalsContact C-N 3.32Å; L274-L276 PolarHBondContact O-N 2.92Å; L274-A277 PolarHBondContact O-N 2.79Å; L274-L278 HydrophobicContact CG-CD1 4.48Å; L274-L278 WeakPolarHBondContact O-CG 3.4Å; L274-L278 PolarHBondContact O-N 3.43Å
275	T	98.7	Very high	98.5	Very high	3 Å²	3	39 Å²	39	2%	0.018	20%	0.202	C	C	.	.	H	α-helix	trans	-66.9	-32.7	179.6	60.6	0	0	0	0	113.2	L72 I271 H272 K279 I289	L72-T275 HydrophobicContact CD1-CG2 3.85Å; L72-T275 HydrophobicContact CD2-CG2 3.98Å; L72-T275 HydrophobicContact CG-CG2 4.47Å; I271-T275 HydrophobicContact CG2-CG2 4.4Å; I271-T275 WeakPolarHBondContact O-CG2 3.42Å; I271-T275 PolarHBondContact O-N 2.84Å; I271-T275 PolarHBondContact O-OG1 2.61Å; H272-T275 PolarHBondContact O-N 2.78Å; H272-T275 VanDerWaalsContact O-N 3.12Å; H272-T275 PolarHBondContact O-OG1 3.02Å; T275-K279 WeakPolarHBondContact O-CG 3.32Å; T275-K279 PolarHBondContact O-N 3.06Å; T275-I289 HydrophobicContact CG2-CD1 4.3Å
276	L	98.8	Very high	98.5	Very high	84 Å²	84	40.8 Å²	40.8	44%	0.44	21%	0.212	S	C	.	.	H	α-helix	trans	-66	-43.3	171.6	-72.4	-175.6	0	0	0	111.4	H272 N273 L274 K279 H280	H272-L276 VanDerWaalsContact NE2-CD1 3.31Å; H272-L276 WeakPolarHBondContact NE2-CD1 3.48Å; H272-L276 PolarHBondContact O-N 3.34Å; N273-L276 PolarHBondContact O-N 3.01Å; L274-L276 VanDerWaalsContact C-N 3.32Å; L274-L276 PolarHBondContact O-N 2.92Å; L276-K279 PolarHBondContact O-N 3.4Å; L276-H280 WeakPolarHBondContact O-CB 3.45Å; L276-H280 PolarHBondContact O-N 3.12Å
277	A	98.8	Very high	98.5	Very high	7 Å²	7	40.8 Å²	40.8	6%	0.058	21%	0.211	C	C	.	.	H	α-helix	trans	-62.4	-43.5	177.2	0	0	0	0	0	111.9	V213 L216 N273 L274 K279 H280 F281	V213-A277 HydrophobicContact CB-CB 4.36Å; V213-A277 HydrophobicContact CG1-CB 4.01Å; V213-A277 HydrophobicContact CG2-CB 3.76Å; L216-A277 HydrophobicContact CD1-CB 4.05Å; N273-A277 PolarHBondContact O-N 3.26Å; L274-A277 PolarHBondContact O-N 2.79Å; A277-K279 VanDerWaalsContact C-N 3.26Å; A277-K279 PolarHBondContact O-N 3.34Å; A277-H280 PolarHBondContact O-N 2.91Å; A277-F281 HydrophobicContact CB-CD2 4.21Å; A277-F281 HydrophobicContact CB-CE2 4.23Å; A277-F281 VanDerWaalsContact O-CD2 3.25Å; A277-F281 WeakPolarHBondContact O-CD2 3.3Å; A277-F281 PolarHBondContact O-N 2.64Å
278	L	98.7	Very high	98.5	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-56.6	-40.3	174.5	-72.1	169.7	0	0	0	112	V45 L216 L274 G282 Y283 Y284 T287 I289	V45-L278 HydrophobicContact CG2-CD1 4.48Å; V45-L278 HydrophobicContact CG2-CD2 4.25Å; L216-L278 HydrophobicContact CD1-CD2 3.71Å; L216-L278 HydrophobicContact CD1-CG 3.98Å; L216-L278 HydrophobicContact CD2-CD2 3.81Å; L216-L278 HydrophobicContact CG-CD2 4.43Å; L274-L278 HydrophobicContact CG-CD1 4.48Å; L274-L278 WeakPolarHBondContact O-CG 3.4Å; L274-L278 PolarHBondContact O-N 3.43Å; L278-G282 PolarHBondContact O-N 3Å; L278-Y283 HydrophobicContact CD2-CG 4.15Å; L278-Y283 PolarHBondContact O-N 2.98Å; L278-Y284 HydrophobicContact CB-CD2 4.29Å; L278-Y284 PolarHBondContact O-N 3.22Å; L278-T287 HydrophobicContact CD1-CG2 4.39Å; L278-I289 HydrophobicContact CD1-CD1 3.68Å; L278-I289 HydrophobicContact CD1-CG1 4.27Å
279	K	98.6	Very high	98.5	Very high	100 Å²	100	40.7 Å²	40.7	44%	0.435	21%	0.211	S	C	.	.	H	α-helix	trans	-70.8	-45.9	176.4	-71.6	179.2	178	-166	0	112	T275 L276 A277 F281 G282 Y284	T275-K279 WeakPolarHBondContact O-CG 3.32Å; T275-K279 PolarHBondContact O-N 3.06Å; L276-K279 PolarHBondContact O-N 3.4Å; A277-K279 VanDerWaalsContact C-N 3.26Å; A277-K279 PolarHBondContact O-N 3.34Å; K279-F281 VanDerWaalsContact C-N 3.34Å; K279-F281 PolarHBondContact O-N 3.4Å; K279-G282 PolarHBondContact O-N 2.86Å; K279-Y284 HydrophobicContact CD-CD2 4.46Å; K279-Y284 HydrophobicContact CD-CG 4.4Å; K279-Y284 VanDerWaalsContact CE-CZ 3.42Å; K279-Y284 HydrophobicContact CG-CD1 3.94Å; K279-Y284 HydrophobicContact CG-CD2 3.73Å; K279-Y284 HydrophobicContact CG-CE2 4.35Å; K279-Y284 HydrophobicContact CG-CG 3.49Å; K279-Y284 VanDerWaalsContact CG-CG 3.49Å
280	H	98.4	Very high	98.5	Very high	149 Å²	149	37.4 Å²	37.4	69%	0.69	20%	0.196	S	C	*	.	H	α-helix	trans	-62.6	-42.1	-176	179	58.2	0	0	0	112.1	L276 A277	L276-H280 WeakPolarHBondContact O-CB 3.45Å; L276-H280 PolarHBondContact O-N 3.12Å; A277-H280 PolarHBondContact O-N 2.91Å
281	F	98.2	Very high	98.5	Very high	66 Å²	66	37.1 Å²	37.1	29%	0.289	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	11.6	-179.9	-59.1	-59	0	0	0	113.7	V213 L216 A217 P221 A277 K279 Y283	V213-F281 HydrophobicContact CG1-CE2 4.21Å; L216-F281 HydrophobicContact CB-CD2 4.02Å; A217-F281 HydrophobicContact CB-CD2 4.44Å; A217-F281 HydrophobicContact CB-CE1 3.93Å; A217-F281 HydrophobicContact CB-CE2 3.74Å; A217-F281 HydrophobicContact CB-CZ 3.44Å; A217-F281 VanDerWaalsContact CB-CZ 3.44Å; P221-F281 WeakPolarHBondContact CG-O 3.25Å; A277-F281 HydrophobicContact CB-CD2 4.21Å; A277-F281 HydrophobicContact CB-CE2 4.23Å; A277-F281 VanDerWaalsContact O-CD2 3.25Å; A277-F281 WeakPolarHBondContact O-CD2 3.3Å; A277-F281 PolarHBondContact O-N 2.64Å; K279-F281 VanDerWaalsContact C-N 3.34Å; K279-F281 PolarHBondContact O-N 3.4Å; F281-Y283 HydrophobicContact CB-CD2 3.73Å; F281-Y283 HydrophobicContact CB-CE2 3.67Å; F281-Y283 WeakPolarHBondContact O-CD2 3.47Å; F281-Y283 PolarHBondContact O-N 3.38Å
282	G	97.2	Very high	98.5	Very high	46 Å²	46	37.1 Å²	37.1	47%	0.474	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	12.1	171.1	0	0	0	0	0	117	L278 K279	L278-G282 PolarHBondContact O-N 3Å; K279-G282 PolarHBondContact O-N 2.86Å
283	Y	98	Very high	98.5	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	18%	0.18	C	C	.	.			trans	-82.3	-30.7	179	-69.6	-96.9	0	0	0	113.6	H43 L216 H219 P221 L226 L278 F281 D285 N286 T287	H43-Y283 HydrophobicContact CB-CD1 4.46Å; H43-Y283 AromaticContact CD2-CD1 3.65Å; H43-Y283 AromaticContact CE1-CD1 3.81Å; H43-Y283 AromaticContact CE1-CE1 3.91Å; H43-Y283 AromaticContact CG-CD1 3.74Å; H43-Y283 AromaticContact ND1-CD1 3.81Å; H43-Y283 AromaticContact ND1-CE1 3.99Å; H43-Y283 AromaticContact NE2-CD1 3.68Å; L216-Y283 HydrophobicContact CB-CE2 4.17Å; L216-Y283 HydrophobicContact CD2-CD1 4.16Å; L216-Y283 HydrophobicContact CD2-CD2 4.15Å; L216-Y283 HydrophobicContact CD2-CE1 4.11Å; L216-Y283 HydrophobicContact CD2-CE2 4.12Å; L216-Y283 HydrophobicContact CD2-CG 4.19Å; L216-Y283 WeakPolarHBondContact O-CE2 3.37Å; L216-Y283 PolarHBondContact O-OH 3.46Å; L216-Y283 VanDerWaalsContact O-OH 3.11Å; H219-Y283 VanDerWaalsContact CB-OH 3.29Å; H219-Y283 WeakPolarHBondContact CB-OH 3.3Å; H219-Y283 AromaticContact ND1-CE1 3.61Å; H219-Y283 AromaticContact ND1-CZ 3.63Å; H219-Y283 PolarHBondContact ND1-OH 3.11Å; H219-Y283 PolarHBondContact O-OH 3.25Å; P221-Y283 HydrophobicContact CB-CD1 3.78Å; P221-Y283 HydrophobicContact CB-CD2 4.19Å; P221-Y283 HydrophobicContact CB-CE1 3.6Å; P221-Y283 HydrophobicContact CB-CE2 4.01Å; P221-Y283 HydrophobicContact CB-CG 4.06Å; P221-Y283 HydrophobicContact CG-CD2 4.42Å; P221-Y283 HydrophobicContact CG-CE1 4.48Å; P221-Y283 HydrophobicContact CG-CE2 4.08Å; L226-Y283 HydrophobicContact CB-CE1 4.47Å; L226-Y283 HydrophobicContact CD1-CE1 4.5Å; L278-Y283 HydrophobicContact CD2-CG 4.15Å; L278-Y283 PolarHBondContact O-N 2.98Å; F281-Y283 HydrophobicContact CB-CD2 3.73Å; F281-Y283 HydrophobicContact CB-CE2 3.67Å; F281-Y283 WeakPolarHBondContact O-CD2 3.47Å; F281-Y283 PolarHBondContact O-N 3.38Å; Y283-D285 VanDerWaalsContact C-N 3.32Å; Y283-D285 PolarHBondContact O-N 2.85Å; Y283-N286 CarbonylContact O-C 3.55Å; Y283-N286 PolarHBondContact O-N 3.44Å; Y283-T287 PolarHBondContact O-N 2.92Å; Y283-T287 PolarHBondContact O-OG1 2.94Å
284	Y	98.2	Very high	98.5	Very high	28 Å²	28	31.1 Å²	31.1	11%	0.11	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-57.5	-39.9	-159.4	-175.7	-98.8	0	0	0	114.3	L278 K279 N286 T287 H327 P329	L278-Y284 HydrophobicContact CB-CD2 4.29Å; L278-Y284 PolarHBondContact O-N 3.22Å; K279-Y284 HydrophobicContact CD-CD2 4.46Å; K279-Y284 HydrophobicContact CD-CG 4.4Å; K279-Y284 VanDerWaalsContact CE-CZ 3.42Å; K279-Y284 HydrophobicContact CG-CD1 3.94Å; K279-Y284 HydrophobicContact CG-CD2 3.73Å; K279-Y284 HydrophobicContact CG-CE2 4.35Å; K279-Y284 HydrophobicContact CG-CG 3.49Å; K279-Y284 VanDerWaalsContact CG-CG 3.49Å; Y284-N286 VanDerWaalsContact C-N 3.27Å; Y284-N286 PolarHBondContact O-N 3.29Å; Y284-T287 PolarHBondContact O-N 3.46Å; Y284-H327 AromaticContact CE2-NE2 3.81Å; Y284-H327 AromaticContact CZ-NE2 3.45Å; Y284-H327 PolarHBondContact OH-CE1 2.9Å; Y284-H327 PolarHBondContact OH-NE2 3.48Å; Y284-P329 HydrophobicContact CD1-CG 4.17Å; Y284-P329 HydrophobicContact CE1-CG 4.02Å; Y284-P329 WeakPolarHBondContact O-CD 3.4Å
285	D	97.4	Very high	98.5	Very high	123 Å²	123	31.1 Å²	31.1	66%	0.658	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-69.5	-24.4	-174.2	-65.9	-27.5	0	0	0	113.3	Y283	Y283-D285 VanDerWaalsContact C-N 3.32Å; Y283-D285 PolarHBondContact O-N 2.85Å
286	N	97.6	Very high	98.5	Very high	41 Å²	41	31 Å²	31	22%	0.219	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-116.2	28.7	177.3	-166.2	33.9	0	0	0	112.4	Q41 P42 H43 Y283 Y284	Q41-N286 PolarHBondContact O-ND2 2.91Å; P42-N286 CarbonylContact C-O 3.39Å; P42-N286 WeakPolarHBondContact CA-O 3.42Å; H43-N286 PolarHBondContact N-O 2.83Å; Y283-N286 CarbonylContact O-C 3.55Å; Y283-N286 PolarHBondContact O-N 3.44Å; Y284-N286 VanDerWaalsContact C-N 3.27Å; Y284-N286 PolarHBondContact O-N 3.29Å
287	T	98.6	Very high	98.4	Very high	2 Å²	2	27 Å²	27	1%	0.012	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	134.1	179.3	-63.9	0	0	0	0	112.1	H43 V45 L278 Y283 Y284 I289 S328	H43-T287 HydrophobicContact CB-CG2 4.48Å; H43-T287 CarbonylContact O-C 3.46Å; H43-T287 WeakPolarHBondContact O-CA 3.37Å; V45-T287 HydrophobicContact CB-CG2 4.29Å; V45-T287 HydrophobicContact CG2-CG2 3.77Å; L278-T287 HydrophobicContact CD1-CG2 4.39Å; Y283-T287 PolarHBondContact O-N 2.92Å; Y283-T287 PolarHBondContact O-OG1 2.94Å; Y284-T287 PolarHBondContact O-N 3.46Å; T287-I289 HydrophobicContact CG2-CG1 3.71Å; T287-S328 VanDerWaalsContact O-CB 3.27Å; T287-S328 WeakPolarHBondContact O-CB 3.4Å; T287-S328 PolarHBondContact O-OG 3.46Å
288	V	98.9	Very high	98.3	Very high	1 Å²	1	29 Å²	29	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	111.8	162.5	-179.1	0	0	0	0	109.4	P42 H43 V45 V290 V326 L330 W371	P42-V288 HydrophobicContact CB-CG2 4.06Å; P42-V288 HydrophobicContact CG-CG2 4.31Å; H43-V288 PolarHBondContact O-N 3.17Å; V45-V288 PolarHBondContact N-O 2.93Å; V288-V290 HydrophobicContact CG1-CG2 4.22Å; V288-V326 HydrophobicContact CG1-CG1 4.09Å; V288-L330 HydrophobicContact CG2-CD1 4.12Å; V288-W371 HydrophobicContact CG1-CH2 4.12Å; V288-W371 HydrophobicContact CG1-CZ3 3.88Å; V288-W371 HydrophobicContact CG2-CH2 3.85Å; V288-W371 HydrophobicContact CG2-CZ3 4.33Å
289	I	98.9	Very high	98	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	118.6	174	-51.1	178.3	0	0	0	108.7	V45 I47 T275 L278 T287 V326 H327	V45-I289 HydrophobicContact CB-CG1 4.46Å; V45-I289 WeakPolarHBondContact O-CA 3.39Å; I47-I289 HydrophobicContact CD1-CG2 3.75Å; I47-I289 HydrophobicContact CG1-CG2 4.37Å; T275-I289 HydrophobicContact CG2-CD1 4.3Å; L278-I289 HydrophobicContact CD1-CD1 3.68Å; L278-I289 HydrophobicContact CD1-CG1 4.27Å; T287-I289 HydrophobicContact CG2-CG1 3.71Å; I289-V326 CarbonylContact O-C 3.49Å; I289-V326 WeakPolarHBondContact O-CA 3.31Å; I289-H327 WeakPolarHBondContact CA-O 3.43Å; I289-H327 HydrophobicContact CB-CB 4.41Å; I289-H327 WeakPolarHBondContact CB-O 3.34Å; I289-H327 PolarHBondContact N-O 3.2Å; I289-H327 PolarHBondContact O-N 3.46Å
290	V	98.9	Very high	97.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.4	170.2	-176.1	0	0	0	0	108.3	V45 F46 I47 V288 V326 W347 L351	V45-V290 PolarHBondContact O-N 3.12Å; F46-V290 HydrophobicContact CD2-CB 3.77Å; F46-V290 HydrophobicContact CD2-CG1 3.91Å; F46-V290 HydrophobicContact CD2-CG2 4.3Å; F46-V290 HydrophobicContact CE2-CB 3.93Å; F46-V290 HydrophobicContact CE2-CG1 3.52Å; F46-V290 HydrophobicContact CG-CB 4.36Å; F46-V290 HydrophobicContact CZ-CG1 3.94Å; I47-V290 PolarHBondContact N-O 3.06Å; V288-V290 HydrophobicContact CG1-CG2 4.22Å; V290-V326 HydrophobicContact CG2-CG2 4.37Å; V290-W347 HydrophobicContact CG1-CD2 4.18Å; V290-W347 HydrophobicContact CG1-CE3 4.26Å; V290-W347 HydrophobicContact CG1-CH2 3.67Å; V290-W347 HydrophobicContact CG1-CZ2 3.53Å; V290-W347 HydrophobicContact CG1-CZ3 4.03Å; V290-W347 HydrophobicContact CG2-CE3 4.24Å; V290-W347 HydrophobicContact CG2-CH2 4.24Å; V290-W347 HydrophobicContact CG2-CZ3 3.91Å; V290-L351 HydrophobicContact CG2-CD2 4.46Å
291	Y	98.9	Very high	97.5	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.1	171.3	-174.3	-88.7	0	0	0	109.2	I47 V49 Q52 L69 I271 V323 G324 F325	I47-Y291 HydrophobicContact CB-CD2 4.02Å; I47-Y291 HydrophobicContact CG2-CD2 3.77Å; I47-Y291 HydrophobicContact CG2-CE2 4Å; V49-Y291 HydrophobicContact CG1-CE2 3.71Å; V49-Y291 HydrophobicContact CG2-CE1 4.19Å; Q52-Y291 PolarHBondContact NE2-OH 3.3Å; Q52-Y291 VanDerWaalsContact OE1-CE1 3.28Å; Q52-Y291 PolarHBondContact OE1-OH 3.36Å; L69-Y291 HydrophobicContact CD1-CE2 4.42Å; L69-Y291 WeakPolarHBondContact CD1-OH 3.27Å; L69-Y291 HydrophobicContact CD2-CD2 3.82Å; L69-Y291 HydrophobicContact CD2-CE1 4.26Å; L69-Y291 HydrophobicContact CD2-CE2 3.41Å; L69-Y291 VanDerWaalsContact CD2-CE2 3.41Å; L69-Y291 HydrophobicContact CD2-CG 4.39Å; I271-Y291 HydrophobicContact CG1-CE2 4.3Å; Y291-V323 HydrophobicContact CE1-CG1 4.28Å; Y291-G324 CarbonylContact O-C 3.49Å; Y291-G324 WeakPolarHBondContact O-CA 3.45Å; Y291-F325 AromaticContact CD1-CD1 3.96Å; Y291-F325 HydrophobicContact CD1-CD1 3.96Å; Y291-F325 AromaticContact CD1-CE1 3.53Å; Y291-F325 HydrophobicContact CD1-CE1 3.53Å; Y291-F325 HydrophobicContact CD1-CZ 4.18Å; Y291-F325 HydrophobicContact CD2-CE1 4.3Å; Y291-F325 HydrophobicContact CD2-CZ 4.18Å; Y291-F325 HydrophobicContact CE1-CE1 4.28Å; Y291-F325 HydrophobicContact CG-CD1 4.18Å; Y291-F325 AromaticContact CG-CE1 3.52Å; Y291-F325 HydrophobicContact CG-CE1 3.52Å; Y291-F325 HydrophobicContact CG-CE2 4.43Å; Y291-F325 AromaticContact CG-CZ 3.67Å; Y291-F325 HydrophobicContact CG-CZ 3.67Å; Y291-F325 PolarHBondContact N-O 2.8Å; Y291-F325 PolarHBondContact O-N 2.85Å
292	S	98.9	Very high	97.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	145.6	178.8	-176.5	0	0	0	0	110.6	I47 L48 V49 Y82 V323	I47-S292 PolarHBondContact O-N 3.17Å; L48-S292 CarbonylContact C-O 3.6Å; L48-S292 WeakPolarHBondContact CA-O 3.44Å; V49-S292 PolarHBondContact N-O 3.47Å; Y82-S292 VanDerWaalsContact CE1-OG 3.28Å; Y82-S292 WeakPolarHBondContact CE1-OG 3.25Å; Y82-S292 PolarHBondContact OH-OG 3.08Å; S292-V323 WeakPolarHBondContact CA-O 3.3Å
293	T	98.9	Very high	97.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	158.8	156.5	-166.2	0	0	0	0	111.1	V49 Q52 N295 V323	V49-T293 CarbonylContact O-C 3.56Å; V49-T293 VanDerWaalsContact O-CA 3.29Å; V49-T293 WeakPolarHBondContact O-CA 3.44Å; V49-T293 PolarHBondContact O-OG1 2.82Å; Q52-T293 PolarHBondContact N-OG1 3.15Å; Q52-T293 PolarHBondContact O-OG1 2.76Å; T293-N295 WeakPolarHBondContact CG2-O 3.33Å; T293-N295 PolarHBondContact OG1-O 3.23Å; T293-N295 VanDerWaalsContact OG1-O 3.05Å; T293-V323 HydrophobicContact CG2-CB 4.36Å; T293-V323 PolarHBondContact N-O 2.87Å
294	D	98.8	Very high	97.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-85.5	-26.9	170.9	72.6	-16.9	0	0	0	113.2	L48 V49 D50 D51 V84 C88 S91 R92	L48-D294 HydrophobicContact CD1-CB 4.01Å; L48-D294 HydrophobicContact CD2-CB 3.96Å; L48-D294 HydrophobicContact CG-CB 4.04Å; V49-D294 PolarHBondContact O-N 3.45Å; D50-D294 WeakPolarHBondContact CA-OD1 3.49Å; D51-D294 PolarHBondContact N-OD1 2.87Å; V84-D294 WeakPolarHBondContact CG2-O 3.23Å; C88-D294 WeakPolarHBondContact CA-OD2 3.45Å; C88-D294 WeakPolarHBondContact CB-OD2 3.42Å; C88-D294 PolarHBondContact SG-OD2 2.93Å; S91-D294 WeakPolarHBondContact CB-O 3.24Å; S91-D294 PolarHBondContact OG-O 2.73Å; R92-D294 IonicContact CZ-OD2 2.63Å; R92-D294 IonicContact NE-OD2 2.79Å; R92-D294 PolarHBondContact NE-OD2 3.01Å; R92-D294 IonicContact NH2-OD2 3.04Å; R92-D294 PolarHBondContact NH2-OD2 3.43Å
295	N	98.9	Very high	97.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-159.7	170.2	175.3	51.2	-125.1	0	0	0	110.9	D51 Q85 P86 L87 C88 T293	D51-N295 PolarHBondContact OD1-ND2 2.88Å; Q85-N295 WeakPolarHBondContact O-CA 3.13Å; Q85-N295 WeakPolarHBondContact O-CB 2.97Å; P86-N295 VanDerWaalsContact C-CB 3.46Å; L87-N295 VanDerWaalsContact C-OD1 3.28Å; L87-N295 WeakPolarHBondContact CA-OD1 3.44Å; C88-N295 PolarHBondContact N-OD1 2.82Å; T293-N295 WeakPolarHBondContact CG2-O 3.33Å; T293-N295 PolarHBondContact OG1-O 3.23Å; T293-N295 VanDerWaalsContact OG1-O 3.05Å
296	G	98.6	Very high	97.1	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.01	8%	0.079	C	C	.	.			trans	-57.8	157.3	171.4	0	0	0	0	0	113.1	K312 G318 G319	G296-K312 WeakPolarHBondContact O-CB 3.14Å; G296-G318 WeakPolarHBondContact CA-O 3.26Å; G296-G319 PolarHBondContact N-O 3.43Å
297	G	97.9	Very high	97	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.079	C	C	.	.			trans	-68.9	157.9	-176.1	0	0	0	0	0	112.8	D51 P299 N305 S311 K312	D51-G297 WeakPolarHBondContact O-CA 3.19Å; G297-P299 WeakPolarHBondContact O-CD 3.21Å; G297-N305 PolarHBondContact N-ND2 2.68Å; G297-N305 PolarHBondContact N-OD1 2.88Å; G297-N305 PolarHBondContact O-ND2 3.42Å; G297-S311 WeakPolarHBondContact O-CB 3.33Å; G297-K312 PolarHBondContact O-N 2.93Å
298	Q	96	Very high	97	Very high	49 Å²	49	15 Å²	15	23%	0.229	8%	0.079	C	C	.	.			trans	-104	104	175.6	175.5	51.6	-93.8	0	0	110.5	L300 A301 G302 G303 K312	Q298-L300 VanDerWaalsContact C-N 3.27Å; Q298-L300 HydrophobicContact CG-CB 4.4Å; Q298-L300 PolarHBondContact O-N 2.5Å; Q298-L300 VanDerWaalsContact OE1-N 3.1Å; Q298-A301 HydrophobicContact CB-CB 4.17Å; Q298-A301 HydrophobicContact CG-CB 3.89Å; Q298-A301 CarbonylContact O-C 3.48Å; Q298-A301 WeakPolarHBondContact O-CA 3.28Å; Q298-A301 PolarHBondContact O-N 3.44Å; Q298-G302 PolarHBondContact O-N 2.84Å; Q298-G303 PolarHBondContact O-N 2.86Å; Q298-K312 HydrophobicContact CB-CB 4.13Å; Q298-K312 HydrophobicContact CB-CD 4.17Å
299	P	93.2	Very high	96.9	Very high	15 Å²	15	15 Å²	15	10%	0.097	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-58	-34.1	-179.7	-26.9	35.5	0	0	0	114.8	G297 A301 G302 G303 S311 V434 Q437	G297-P299 WeakPolarHBondContact O-CD 3.21Å; P299-A301 PolarHBondContact O-N 3.29Å; P299-A301 VanDerWaalsContact O-N 3.17Å; P299-G302 PolarHBondContact O-N 3.4Å; P299-G303 VanDerWaalsContact CA-O 3.23Å; P299-G303 WeakPolarHBondContact CA-O 3.47Å; P299-S311 VanDerWaalsContact CD-CB 3.43Å; P299-V434 HydrophobicContact CB-CB 4.34Å; P299-V434 HydrophobicContact CB-CG1 3.91Å; P299-V434 HydrophobicContact CB-CG2 4.32Å; P299-V434 HydrophobicContact CG-CB 4.17Å; P299-V434 HydrophobicContact CG-CG1 4.29Å; P299-V434 HydrophobicContact CG-CG2 4.07Å; P299-Q437 PolarHBondContact O-NE2 2.81Å
300	L	90.3	Very high	96.7	Very high	137 Å²	137	15 Å²	15	72%	0.717	8%	0.079	S	C	*	.	G	3₁₀ helix	trans	-65.9	-18.6	175.9	-62.6	179.6	0	0	0	113.1	Q298	Q298-L300 VanDerWaalsContact C-N 3.27Å; Q298-L300 HydrophobicContact CG-CB 4.4Å; Q298-L300 PolarHBondContact O-N 2.5Å; Q298-L300 VanDerWaalsContact OE1-N 3.1Å
301	A	94.2	Very high	96.6	Very high	14 Å²	14	15.3 Å²	15.3	12%	0.116	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-106.6	17.6	173.4	0	0	0	0	0	112.1	L239 Y260 Q298 P299	L239-A301 WeakPolarHBondContact CD1-O 3.48Å; L239-A301 HydrophobicContact CD2-CB 4.41Å; L239-A301 VanDerWaalsContact CD2-O 3.26Å; L239-A301 WeakPolarHBondContact CD2-O 3.47Å; Y260-A301 VanDerWaalsContact CD2-O 3.3Å; Y260-A301 WeakPolarHBondContact CD2-O 3.29Å; Q298-A301 HydrophobicContact CB-CB 4.17Å; Q298-A301 HydrophobicContact CG-CB 3.89Å; Q298-A301 CarbonylContact O-C 3.48Å; Q298-A301 WeakPolarHBondContact O-CA 3.28Å; Q298-A301 PolarHBondContact O-N 3.44Å; P299-A301 PolarHBondContact O-N 3.29Å; P299-A301 VanDerWaalsContact O-N 3.17Å
302	G	94.9	Very high	96.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	-2.9	175.4	0	0	0	0	0	115.9	R257 Y260 Q298 P299	R257-G302 WeakPolarHBondContact CD-O 3.42Å; R257-G302 PolarHBondContact NH1-O 3.23Å; Y260-G302 WeakPolarHBondContact CD1-O 3.39Å; Q298-G302 PolarHBondContact O-N 2.84Å; P299-G302 PolarHBondContact O-N 3.4Å
303	G	96.6	Very high	96.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.103	C	C	.	.			trans	-70.1	159.5	173.7	0	0	0	0	0	113.2	D56 Q298 P299 Q437	D56-G303 WeakPolarHBondContact OD2-CA 3.33Å; Q298-G303 PolarHBondContact O-N 2.86Å; P299-G303 VanDerWaalsContact CA-O 3.23Å; P299-G303 WeakPolarHBondContact CA-O 3.47Å; G303-Q437 PolarHBondContact O-NE2 3.27Å
304	S	96.9	Very high	96.5	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.021	10%	0.104	C	C	.	.			trans	-138.9	128.9	179.5	-172.8	0	0	0	0	112.2	G53 F54 R55 D56	G53-S304 CarbonylContact C-O 3.59Å; G53-S304 VanDerWaalsContact CA-O 3.26Å; G53-S304 WeakPolarHBondContact CA-O 3.24Å; F54-S304 PolarHBondContact N-O 3.17Å; F54-S304 VanDerWaalsContact N-O 3.14Å; R55-S304 PolarHBondContact N-O 3.03Å; D56-S304 VanDerWaalsContact OD1-CB 3.29Å; D56-S304 WeakPolarHBondContact OD1-CB 3.22Å; D56-S304 PolarHBondContact OD1-N 2.81Å; D56-S304 PolarHBondContact OD2-N 2.9Å
305	N	97.7	Very high	96.4	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.021	11%	0.106	C	C	.	.			trans	-109.7	4.2	176.3	-54.5	-54.9	0	0	0	112.9	G53 F54 G297 L308 S311 G318	G53-N305 WeakPolarHBondContact CA-OD1 3.48Å; F54-N305 HydrophobicContact CB-CB 4.41Å; F54-N305 PolarHBondContact N-OD1 3.18Å; F54-N305 VanDerWaalsContact N-OD1 3.12Å; G297-N305 PolarHBondContact N-ND2 2.68Å; G297-N305 PolarHBondContact N-OD1 2.88Å; G297-N305 PolarHBondContact O-ND2 3.42Å; N305-L308 HydrophobicContact CB-CB 4.49Å; N305-L308 WeakPolarHBondContact O-CA 3.45Å; N305-L308 WeakPolarHBondContact O-CB 3.5Å; N305-L308 WeakPolarHBondContact O-CG 3.37Å; N305-L308 PolarHBondContact O-N 2.82Å; N305-S311 WeakPolarHBondContact ND2-CA 3.35Å; N305-G318 PolarHBondContact ND2-O 3.2Å; N305-G318 VanDerWaalsContact ND2-O 3.07Å; N305-G318 PolarHBondContact OD1-O 3.29Å
306	W	95.9	Very high	96.4	Very high	54 Å²	54	19 Å²	19	21%	0.205	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	140.2	-177.2	-178.7	-92.8	0	0	0	112	R55 W433 P435 P436 E451	R55-W306 WeakPolarHBondContact CB-O 3.23Å; R55-W306 VanDerWaalsContact CD-O 3.26Å; R55-W306 WeakPolarHBondContact CD-O 3.24Å; R55-W306 WeakPolarHBondContact CG-O 3.29Å; W306-W433 HydrophobicContact CE3-CB 4.15Å; W306-W433 HydrophobicContact CZ3-CB 3.69Å; W306-P435 HydrophobicContact CD2-CB 4.48Å; W306-P435 VanDerWaalsContact CE3-CA 3.45Å; W306-P435 HydrophobicContact CE3-CB 4.1Å; W306-P435 HydrophobicContact CZ3-CB 4.08Å; W306-P436 HydrophobicContact CB-CG 4.12Å; W306-P436 HydrophobicContact CG-CG 4Å; W306-E451 VanDerWaalsContact CH2-CD 3.48Å; W306-E451 HydrophobicContact CH2-CG 4.32Å; W306-E451 WeakPolarHBondContact CH2-OE1 3.16Å; W306-E451 WeakPolarHBondContact CH2-OE2 3.37Å; W306-E451 HydrophobicContact CZ3-CG 4.43Å
307	P	95.4	Very high	96.4	Very high	33 Å²	33	19 Å²	19	21%	0.214	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88.1	15.8	0.2	35.5	-38	0	0	0	114.8	Y471	P307-Y471 HydrophobicContact CB-CD1 4.15Å; P307-Y471 HydrophobicContact CB-CE1 4.07Å; P307-Y471 HydrophobicContact CG-CD1 3.87Å; P307-Y471 HydrophobicContact CG-CE1 3.33Å; P307-Y471 HydrophobicContact CG-CE2 4.33Å; P307-Y471 WeakPolarHBondContact O-CD1 3.15Å
308	L	97.8	Very high	96.5	Very high	2 Å²	2	19 Å²	19	1%	0.01	11%	0.105	C	C	.	.	S	Bend	trans	-71	152.1	176.5	-50.7	-177.4	0	0	0	111.4	F54 N305 E317 R321 Y471	F54-L308 HydrophobicContact CB-CD1 3.73Å; F54-L308 HydrophobicContact CB-CG 4.38Å; F54-L308 HydrophobicContact CD1-CD1 3.83Å; F54-L308 HydrophobicContact CD1-CG 4.01Å; F54-L308 HydrophobicContact CD2-CD1 3.67Å; F54-L308 HydrophobicContact CE1-CD1 4.37Å; F54-L308 HydrophobicContact CE2-CD1 4.23Å; F54-L308 HydrophobicContact CG-CD1 3.45Å; F54-L308 VanDerWaalsContact CG-CD1 3.45Å; F54-L308 HydrophobicContact CG-CG 4.11Å; N305-L308 HydrophobicContact CB-CB 4.49Å; N305-L308 WeakPolarHBondContact O-CA 3.45Å; N305-L308 WeakPolarHBondContact O-CB 3.5Å; N305-L308 WeakPolarHBondContact O-CG 3.37Å; N305-L308 PolarHBondContact O-N 2.82Å; L308-E317 HydrophobicContact CB-CB 4.21Å; L308-E317 HydrophobicContact CD1-CB 4.34Å; L308-E317 HydrophobicContact CD2-CB 4.25Å; L308-R321 HydrophobicContact CD1-CB 3.95Å; L308-R321 HydrophobicContact CD1-CG 4.34Å; L308-Y471 HydrophobicContact CD2-CD1 3.95Å; L308-Y471 HydrophobicContact CD2-CE1 4.18Å
309	R	96.7	Very high	96.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-80.9	142.4	179.6	-168.2	176.9	-173.3	178.2	-12.3	111.5	W316 G318 S431 W433 E472	R309-W316 HydrophobicContact CB-CB 4.2Å; R309-W316 HydrophobicContact CG-CB 4.29Å; R309-W316 HydrophobicContact CG-CD2 4.26Å; R309-W316 HydrophobicContact CG-CE3 4.39Å; R309-W316 HydrophobicContact CG-CG 4.21Å; R309-W316 WeakPolarHBondContact O-CB 3.31Å; R309-G318 WeakPolarHBondContact O-CA 3.26Å; R309-G318 PolarHBondContact O-N 2.98Å; R309-S431 WeakPolarHBondContact CG-O 3.3Å; R309-S431 PolarHBondContact NE-O 3.24Å; R309-S431 PolarHBondContact NH2-O 3.04Å; R309-W433 HydrophobicContact CB-CD2 4.13Å; R309-W433 HydrophobicContact CB-CG 4.41Å; R309-W433 HydrophobicContact CB-CZ2 3.93Å; R309-W433 VanDerWaalsContact CD-CH2 3.41Å; R309-W433 HydrophobicContact CG-CD2 3.84Å; R309-W433 HydrophobicContact CG-CE3 4.08Å; R309-W433 HydrophobicContact CG-CG 4.45Å; R309-W433 HydrophobicContact CG-CH2 3.99Å; R309-W433 HydrophobicContact CG-CZ2 3.73Å; R309-W433 HydrophobicContact CG-CZ3 4.12Å; R309-W433 VanDerWaalsContact CZ-CH2 3.5Å; R309-W433 VanDerWaalsContact NE-CH2 3.28Å; R309-E472 HydrophobicContact CB-CB 4.41Å; R309-E472 PolarHBondContact NH1-O 2.9Å
310	G	96.2	Very high	96.8	Very high	2 Å²	2	15.9 Å²	15.9	2%	0.021	9%	0.09	C	C	.	.			trans	73.7	-162.1	174.8	0	0	0	0	0	114.1	Y430 D432	G310-Y430 WeakPolarHBondContact CA-O 3.43Å; G310-D432 PolarHBondContact N-O 2.89Å
311	S	96.7	Very high	97.2	Very high	7 Å²	7	10.9 Å²	10.9	5%	0.049	6%	0.062	C	C	.	.			trans	-158.5	-174.6	-170	61.8	0	0	0	0	112.4	G297 P299 N305 A313 T314 G319	G297-S311 WeakPolarHBondContact O-CB 3.33Å; P299-S311 VanDerWaalsContact CD-CB 3.43Å; N305-S311 WeakPolarHBondContact ND2-CA 3.35Å; S311-A313 PolarHBondContact O-N 3.32Å; S311-T314 PolarHBondContact N-OG1 2.87Å; S311-T314 VanDerWaalsContact N-OG1 3.12Å; S311-T314 WeakPolarHBondContact O-CB 3.43Å; S311-T314 WeakPolarHBondContact O-CG2 3.26Å; S311-T314 PolarHBondContact O-N 3.18Å; S311-T314 VanDerWaalsContact O-N 3.13Å; S311-T314 PolarHBondContact O-OG1 3.34Å; S311-G319 WeakPolarHBondContact O-CA 3.45Å
312	K	97.9	Very high	97.4	Very high	21 Å²	21	10.3 Å²	10.3	9%	0.091	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-36.4	140.2	162.7	-173.4	175.5	-173.7	165.3	0	111.7	D51 L87 H236 G296 G297 Q298 T314	D51-K312 VanDerWaalsContact OD1-CD 3.24Å; D51-K312 WeakPolarHBondContact OD1-CD 3.06Å; D51-K312 WeakPolarHBondContact OD1-CE 3.38Å; D51-K312 IonicContact OD1-NZ 2.98Å; D51-K312 PolarHBondContact OD1-NZ 3.05Å; D51-K312 WeakPolarHBondContact OD2-CD 3.42Å; D51-K312 IonicContact OD2-NZ 3.94Å; D51-K312 PolarHBondContact OD2-NZ 3.19Å; L87-K312 HydrophobicContact CD2-CG 4.17Å; H236-K312 PolarHBondContact CD2-NZ 3.26Å; H236-K312 PolarHBondContact NE2-NZ 3.02Å; G296-K312 WeakPolarHBondContact O-CB 3.14Å; G297-K312 PolarHBondContact O-N 2.93Å; Q298-K312 HydrophobicContact CB-CB 4.13Å; Q298-K312 HydrophobicContact CB-CD 4.17Å; K312-T314 VanDerWaalsContact C-N 3.29Å; K312-T314 PolarHBondContact O-N 3.17Å
313	A	97.2	Very high	97.6	Very high	44 Å²	44	10.3 Å²	10.3	36%	0.364	6%	0.057	S	C	.	.	T	Hydrogen-bonded Turn	trans	69	15.1	-178.5	0	0	0	0	0	115.7	P86 L87 S311	P86-A313 WeakPolarHBondContact O-CA 3.37Å; P86-A313 PolarHBondContact O-N 2.7Å; L87-A313 HydrophobicContact CD2-CB 3.82Å; L87-A313 HydrophobicContact CG-CB 4.28Å; S311-A313 PolarHBondContact O-N 3.32Å
314	T	97.9	Very high	97.7	Very high	4 Å²	4	10.4 Å²	10.4	3%	0.025	6%	0.058	C	C	.	.	S	Bend	trans	-125.8	150.4	179.3	78.2	0	0	0	0	111.6	P86 S311 K312 W316 P428 Y430	P86-T314 VanDerWaalsContact CB-O 3.3Å; P86-T314 WeakPolarHBondContact CB-O 3.38Å; S311-T314 PolarHBondContact N-OG1 2.87Å; S311-T314 VanDerWaalsContact N-OG1 3.12Å; S311-T314 WeakPolarHBondContact O-CB 3.43Å; S311-T314 WeakPolarHBondContact O-CG2 3.26Å; S311-T314 PolarHBondContact O-N 3.18Å; S311-T314 VanDerWaalsContact O-N 3.13Å; S311-T314 PolarHBondContact O-OG1 3.34Å; K312-T314 VanDerWaalsContact C-N 3.29Å; K312-T314 PolarHBondContact O-N 3.17Å; T314-W316 VanDerWaalsContact C-N 3.25Å; T314-W316 PolarHBondContact O-N 3.24Å; T314-P428 CarbonylContact C-O 3.5Å; T314-P428 VanDerWaalsContact CA-O 3.29Å; T314-P428 WeakPolarHBondContact CA-O 3.4Å; T314-Y430 WeakPolarHBondContact CG2-O 3.49Å
315	Y	98.1	Very high	97.8	Very high	7 Å²	7	10.3 Å²	10.3	3%	0.027	6%	0.057	C	C	.	.	S	Bend	trans	-87.7	6	178.9	-66.5	4.8	0	0	0	112.6	P86 I320 N388 Q413 A415 K422 L424 P428	P86-Y315 HydrophobicContact CB-CD1 4.4Å; P86-Y315 HydrophobicContact CG-CD1 3.76Å; P86-Y315 HydrophobicContact CG-CE1 3.65Å; Y315-I320 WeakPolarHBondContact O-CD1 3.21Å; Y315-N388 HydrophobicContact CE1-CB 4.45Å; Y315-N388 HydrophobicContact CE2-CB 4.1Å; Y315-N388 WeakPolarHBondContact OH-CB 3.29Å; Y315-N388 PolarHBondContact OH-ND2 2.99Å; Y315-Q413 HydrophobicContact CD2-CG 4.03Å; Y315-Q413 HydrophobicContact CE2-CG 3.63Å; Y315-Q413 PolarHBondContact OH-OE1 3.42Å; Y315-A415 HydrophobicContact CD2-CB 3.53Å; Y315-A415 HydrophobicContact CE2-CB 4.48Å; Y315-A415 HydrophobicContact CG-CB 3.97Å; Y315-K422 VanDerWaalsContact O-CE 3.26Å; Y315-K422 WeakPolarHBondContact O-CE 3.33Å; Y315-K422 PolarHBondContact O-NZ 2.76Å; Y315-L424 WeakPolarHBondContact O-CD2 3.36Å; Y315-P428 PolarHBondContact N-O 3.48Å
316	W	98.5	Very high	97.9	Very high	2 Å²	2	10.1 Å²	10.1	1%	0.008	6%	0.056	C	C	.	.	S	Bend	trans	-69.8	158.1	168.4	-56	113.1	0	0	0	110.5	R309 T314 G318 G319 I320 L424 P428 G429 Y430 W462 F464 E472	R309-W316 HydrophobicContact CB-CB 4.2Å; R309-W316 HydrophobicContact CG-CB 4.29Å; R309-W316 HydrophobicContact CG-CD2 4.26Å; R309-W316 HydrophobicContact CG-CE3 4.39Å; R309-W316 HydrophobicContact CG-CG 4.21Å; R309-W316 WeakPolarHBondContact O-CB 3.31Å; T314-W316 VanDerWaalsContact C-N 3.25Å; T314-W316 PolarHBondContact O-N 3.24Å; W316-G318 PolarHBondContact O-N 3.22Å; W316-G318 VanDerWaalsContact O-N 3.11Å; W316-G319 PolarHBondContact O-N 2.95Å; W316-I320 WeakPolarHBondContact O-CG1 3.42Å; W316-I320 PolarHBondContact O-N 2.81Å; W316-L424 HydrophobicContact CD2-CD2 4.42Å; W316-L424 HydrophobicContact CE3-CD2 4.05Å; W316-L424 HydrophobicContact CZ3-CD1 4.18Å; W316-L424 HydrophobicContact CZ3-CD2 4.22Å; W316-P428 HydrophobicContact CD2-CB 4.39Å; W316-P428 HydrophobicContact CH2-CG 4.33Å; W316-P428 HydrophobicContact CZ2-CB 3.84Å; W316-P428 HydrophobicContact CZ2-CG 3.93Å; W316-G429 PolarHBondContact NE1-O 3.15Å; W316-G429 VanDerWaalsContact NE1-O 3.16Å; W316-Y430 PolarHBondContact NE1-O 3.19Å; W316-W462 AromaticContact CH2-CD1 3.96Å; W316-W462 HydrophobicContact CH2-CD2 4.16Å; W316-W462 HydrophobicContact CH2-CG 4.14Å; W316-W462 AromaticContact CH2-NE1 3.88Å; W316-F464 AromaticContact CZ3-CE2 3.68Å; W316-F464 HydrophobicContact CZ3-CE2 3.68Å; W316-F464 AromaticContact CZ3-CZ 3.94Å; W316-F464 HydrophobicContact CZ3-CZ 3.94Å; W316-E472 WeakPolarHBondContact CA-OE2 3.37Å; W316-E472 HydrophobicContact CE3-CB 4.49Å
317	E	98.8	Very high	98	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-52.9	-37.7	-176	-72.1	-63.3	93.8	0	0	112.5	Y83 L308 G319 I320 R321 K422 I466 E472	Y83-E317 WeakPolarHBondContact CE1-OE1 3.43Å; Y83-E317 WeakPolarHBondContact CE1-OE2 3.17Å; Y83-E317 PolarHBondContact OH-OE2 2.94Å; L308-E317 HydrophobicContact CB-CB 4.21Å; L308-E317 HydrophobicContact CD1-CB 4.34Å; L308-E317 HydrophobicContact CD2-CB 4.25Å; E317-G319 PolarHBondContact O-N 2.81Å; E317-G319 VanDerWaalsContact O-N 3.17Å; E317-I320 PolarHBondContact O-N 2.77Å; E317-R321 HydrophobicContact CB-CB 4.45Å; E317-R321 WeakPolarHBondContact O-CB 3.31Å; E317-R321 PolarHBondContact O-N 2.87Å; E317-R321 IonicContact OE2-NH1 3.61Å; E317-K422 WeakPolarHBondContact OE1-CD 3.41Å; E317-K422 WeakPolarHBondContact OE1-CE 3.4Å; E317-K422 IonicContact OE1-NZ 2.99Å; E317-K422 PolarHBondContact OE1-NZ 3.47Å; E317-I466 HydrophobicContact CG-CD1 4.1Å; E317-E472 HydrophobicContact CG-CG 3.91Å; E317-E472 PolarHBondContact N-OE2 2.83Å
318	G	98.5	Very high	98.2	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-69.7	-8.4	178.5	0	0	0	0	0	115	G296 N305 R309 W316	G296-G318 WeakPolarHBondContact CA-O 3.26Å; N305-G318 PolarHBondContact ND2-O 3.2Å; N305-G318 VanDerWaalsContact ND2-O 3.07Å; N305-G318 PolarHBondContact OD1-O 3.29Å; R309-G318 WeakPolarHBondContact O-CA 3.26Å; R309-G318 PolarHBondContact O-N 2.98Å; W316-G318 PolarHBondContact O-N 3.22Å; W316-G318 VanDerWaalsContact O-N 3.11Å
319	G	98.5	Very high	98.2	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-96.2	-27.5	170.5	0	0	0	0	0	114.2	P86 G296 S311 W316 E317	P86-G319 WeakPolarHBondContact CA-O 3.46Å; G296-G319 PolarHBondContact N-O 3.43Å; S311-G319 WeakPolarHBondContact O-CA 3.45Å; W316-G319 PolarHBondContact O-N 2.95Å; E317-G319 PolarHBondContact O-N 2.81Å; E317-G319 VanDerWaalsContact O-N 3.17Å
320	I	98.6	Very high	98.2	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-125.3	-21.4	-166.6	61.7	-177	0	0	0	114.7	Y83 V84 P86 Y315 W316 E317 G322 H387	Y83-I320 CarbonylContact C-O 3.6Å; Y83-I320 VanDerWaalsContact CA-O 3.31Å; Y83-I320 WeakPolarHBondContact CA-O 3.47Å; Y83-I320 HydrophobicContact CD1-CB 4.45Å; Y83-I320 HydrophobicContact CD1-CD1 4.4Å; Y83-I320 HydrophobicContact CD1-CG1 4.02Å; Y83-I320 HydrophobicContact CE1-CG1 4.27Å; V84-I320 PolarHBondContact N-O 3.26Å; V84-I320 WeakPolarHBondContact O-CB 3.07Å; P86-I320 HydrophobicContact CB-CG2 3.81Å; P86-I320 HydrophobicContact CG-CG2 4.2Å; Y315-I320 WeakPolarHBondContact O-CD1 3.21Å; W316-I320 WeakPolarHBondContact O-CG1 3.42Å; W316-I320 PolarHBondContact O-N 2.81Å; E317-I320 PolarHBondContact O-N 2.77Å; I320-G322 PolarHBondContact O-N 3.26Å; I320-H387 HydrophobicContact CD1-CB 4.5Å
321	R	98.8	Very high	98.3	Very high	32 Å²	32	11.7 Å²	11.7	12%	0.121	7%	0.068	C	C	.	.	B	Isolated β-bridge	trans	-82	108.6	174.1	-170.4	176.5	-176.8	171.4	-4	108.3	F54 E80 Y82 Y83 L308 E317	F54-R321 HydrophobicContact CD2-CG 4.48Å; F54-R321 HydrophobicContact CE2-CG 4.15Å; E80-R321 VanDerWaalsContact O-CZ 3.27Å; E80-R321 PolarHBondContact O-NE 2.99Å; E80-R321 VanDerWaalsContact O-NE 3.09Å; E80-R321 PolarHBondContact O-NH2 3.28Å; Y82-R321 WeakPolarHBondContact O-CA 3.37Å; Y83-R321 HydrophobicContact CD1-CB 4.31Å; Y83-R321 HydrophobicContact CE1-CB 3.95Å; Y83-R321 HydrophobicContact CE1-CG 4.28Å; L308-R321 HydrophobicContact CD1-CB 3.95Å; L308-R321 HydrophobicContact CD1-CG 4.34Å; E317-R321 HydrophobicContact CB-CB 4.45Å; E317-R321 WeakPolarHBondContact O-CB 3.31Å; E317-R321 PolarHBondContact O-N 2.87Å; E317-R321 IonicContact OE2-NH1 3.61Å
322	G	98.4	Very high	98.3	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.01	9%	0.093	C	C	.	.			trans	-87.3	152.8	-168.1	0	0	0	0	0	113.3	Y82 I320	Y82-G322 PolarHBondContact O-N 2.91Å; I320-G322 PolarHBondContact O-N 3.26Å
323	V	98.6	Very high	98.3	Very high	1 Å²	1	21 Å²	21	1%	0.006	11%	0.112	C	C	.	.			trans	-71.2	129.6	158.5	179	0	0	0	0	108	G53 V57 Y59 Y291 S292 T293	G53-V323 VanDerWaalsContact O-CG2 3.31Å; G53-V323 WeakPolarHBondContact O-CG2 3.44Å; V57-V323 HydrophobicContact CG1-CG1 3.92Å; V57-V323 HydrophobicContact CG2-CG1 4Å; V57-V323 HydrophobicContact CG2-CG2 4.44Å; Y59-V323 WeakPolarHBondContact OH-CG1 3.46Å; Y291-V323 HydrophobicContact CE1-CG1 4.28Å; S292-V323 WeakPolarHBondContact CA-O 3.3Å; T293-V323 HydrophobicContact CG2-CB 4.36Å; T293-V323 PolarHBondContact N-O 2.87Å
324	G	98.8	Very high	98.3	Very high	2 Å²	2	24.3 Å²	24.3	2%	0.021	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167	152.2	174	0	0	0	0	0	114.5	L79 Y291	L79-G324 PolarHBondContact N-O 2.8Å; Y291-G324 CarbonylContact O-C 3.49Å; Y291-G324 WeakPolarHBondContact O-CA 3.45Å
325	F	98.9	Very high	98.2	Very high	1 Å²	1	26.7 Å²	26.7	0%	0.004	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	157.8	172.2	63.1	-98.6	0	0	0	110.7	Y59 L69 L72 A73 V77 Y291 H327	Y59-F325 HydrophobicContact CE1-CD1 4.34Å; L69-F325 HydrophobicContact CB-CE1 4.43Å; L69-F325 HydrophobicContact CD2-CE1 4.1Å; L69-F325 HydrophobicContact CD2-CZ 4.05Å; L72-F325 HydrophobicContact CB-CD2 4.48Å; L72-F325 HydrophobicContact CB-CE2 3.62Å; L72-F325 HydrophobicContact CB-CZ 3.85Å; L72-F325 HydrophobicContact CD1-CE2 4.32Å; L72-F325 HydrophobicContact CD1-CZ 4.22Å; A73-F325 HydrophobicContact CB-CB 4.12Å; A73-F325 HydrophobicContact CB-CD1 3.73Å; A73-F325 HydrophobicContact CB-CD2 4.43Å; A73-F325 HydrophobicContact CB-CE1 4.22Å; A73-F325 HydrophobicContact CB-CG 3.85Å; V77-F325 CarbonylContact O-C 3.55Å; V77-F325 VanDerWaalsContact O-CA 3.22Å; V77-F325 WeakPolarHBondContact O-CA 3.47Å; V77-F325 WeakPolarHBondContact O-CB 3.39Å; Y291-F325 AromaticContact CD1-CD1 3.96Å; Y291-F325 HydrophobicContact CD1-CD1 3.96Å; Y291-F325 AromaticContact CD1-CE1 3.53Å; Y291-F325 HydrophobicContact CD1-CE1 3.53Å; Y291-F325 HydrophobicContact CD1-CZ 4.18Å; Y291-F325 HydrophobicContact CD2-CE1 4.3Å; Y291-F325 HydrophobicContact CD2-CZ 4.18Å; Y291-F325 HydrophobicContact CE1-CE1 4.28Å; Y291-F325 HydrophobicContact CG-CD1 4.18Å; Y291-F325 AromaticContact CG-CE1 3.52Å; Y291-F325 HydrophobicContact CG-CE1 3.52Å; Y291-F325 HydrophobicContact CG-CE2 4.43Å; Y291-F325 AromaticContact CG-CZ 3.67Å; Y291-F325 HydrophobicContact CG-CZ 3.67Å; Y291-F325 PolarHBondContact N-O 2.8Å; Y291-F325 PolarHBondContact O-N 2.85Å; F325-H327 HydrophobicContact CD2-CB 4.25Å; F325-H327 HydrophobicContact CE2-CB 4.23Å
326	V	98.9	Very high	98.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.4	168.1	-178.3	0	0	0	0	108.7	G76 V77 L79 V288 I289 V290 L331 W347 W371 I374	G76-V326 CarbonylContact C-O 3.45Å; G76-V326 VanDerWaalsContact CA-O 3.23Å; G76-V326 WeakPolarHBondContact CA-O 3.29Å; V77-V326 PolarHBondContact N-O 2.98Å; V77-V326 PolarHBondContact O-N 3.07Å; L79-V326 HydrophobicContact CD1-CG2 4.46Å; L79-V326 HydrophobicContact CD2-CG2 4.48Å; V288-V326 HydrophobicContact CG1-CG1 4.09Å; I289-V326 CarbonylContact O-C 3.49Å; I289-V326 WeakPolarHBondContact O-CA 3.31Å; V290-V326 HydrophobicContact CG2-CG2 4.37Å; V326-L331 HydrophobicContact CG1-CD1 4.31Å; V326-L331 HydrophobicContact CG1-CD2 4.18Å; V326-W347 HydrophobicContact CG2-CH2 3.53Å; V326-W347 HydrophobicContact CG2-CZ3 4.12Å; V326-W371 HydrophobicContact CG1-CZ3 4.12Å; V326-I374 HydrophobicContact CB-CG2 3.99Å; V326-I374 HydrophobicContact CG1-CG2 4.46Å; V326-I374 HydrophobicContact CG2-CD1 4.28Å; V326-I374 HydrophobicContact CG2-CG2 3.89Å
327	H	98.9	Very high	98.2	Very high	8 Å²	8	34.1 Å²	34.1	4%	0.037	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	122	175.1	179.4	91.5	0	0	0	109.5	L72 Y284 I289 F325	L72-H327 HydrophobicContact CB-CB 4.4Å; L72-H327 PolarHBondContact O-ND1 3.05Å; Y284-H327 AromaticContact CE2-NE2 3.81Å; Y284-H327 AromaticContact CZ-NE2 3.45Å; Y284-H327 PolarHBondContact OH-CE1 2.9Å; Y284-H327 PolarHBondContact OH-NE2 3.48Å; I289-H327 WeakPolarHBondContact CA-O 3.43Å; I289-H327 HydrophobicContact CB-CB 4.41Å; I289-H327 WeakPolarHBondContact CB-O 3.34Å; I289-H327 PolarHBondContact N-O 3.2Å; I289-H327 PolarHBondContact O-N 3.46Å; F325-H327 HydrophobicContact CD2-CB 4.25Å; F325-H327 HydrophobicContact CE2-CB 4.23Å
328	S	98.6	Very high	98.1	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.021	18%	0.183	C	C	.	.			trans	-161.4	142	175.1	-174	0	0	0	0	110.7	T287 L330 L331 K334	T287-S328 VanDerWaalsContact O-CB 3.27Å; T287-S328 WeakPolarHBondContact O-CB 3.4Å; T287-S328 PolarHBondContact O-OG 3.46Å; S328-L330 PolarHBondContact O-N 2.84Å; S328-L330 WeakPolarHBondContact OG-CB 3.48Å; S328-L330 WeakPolarHBondContact OG-CG 3.48Å; S328-L330 PolarHBondContact OG-N 2.05Å; S328-L330 VanDerWaalsContact OG-N 3.07Å; S328-L331 WeakPolarHBondContact O-CB 3.39Å; S328-L331 PolarHBondContact O-N 3.39Å; S328-K334 WeakPolarHBondContact O-CE 3.25Å
329	P	97.8	Very high	97.9	Very high	41 Å²	41	41.5 Å²	41.5	27%	0.266	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-23.5	164.1	-28.2	40.7	0	0	0	113.4	Y284 L331 K334	Y284-P329 HydrophobicContact CD1-CG 4.17Å; Y284-P329 HydrophobicContact CE1-CG 4.02Å; Y284-P329 WeakPolarHBondContact O-CD 3.4Å; P329-L331 VanDerWaalsContact C-N 3.29Å; P329-L331 PolarHBondContact O-N 2.87Å; P329-K334 VanDerWaalsContact O-CE 3.24Å; P329-K334 WeakPolarHBondContact O-CE 3.43Å; P329-K334 PolarHBondContact O-NZ 3.12Å
330	L	97.4	Very high	97.8	Very high	69 Å²	69	43.4 Å²	43.4	36%	0.361	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-9.8	179.4	-52.5	177.1	0	0	0	114.2	P42 V288 S328	P42-L330 HydrophobicContact CB-CD1 3.6Å; V288-L330 HydrophobicContact CG2-CD1 4.12Å; S328-L330 PolarHBondContact O-N 2.84Å; S328-L330 WeakPolarHBondContact OG-CB 3.48Å; S328-L330 WeakPolarHBondContact OG-CG 3.48Å; S328-L330 PolarHBondContact OG-N 2.05Å; S328-L330 VanDerWaalsContact OG-N 3.07Å
331	L	98.2	Very high	97.7	Very high	3 Å²	3	44 Å²	44	2%	0.016	23%	0.231	C	C	.	.			trans	-66.7	135.5	174.8	-70.9	162.6	0	0	0	110.7	V77 V326 S328 P329 K334 W371 I374	V77-L331 HydrophobicContact CG2-CD1 4.06Å; V77-L331 HydrophobicContact CG2-CD2 4.15Å; V326-L331 HydrophobicContact CG1-CD1 4.31Å; V326-L331 HydrophobicContact CG1-CD2 4.18Å; S328-L331 WeakPolarHBondContact O-CB 3.39Å; S328-L331 PolarHBondContact O-N 3.39Å; P329-L331 VanDerWaalsContact C-N 3.29Å; P329-L331 PolarHBondContact O-N 2.87Å; L331-K334 HydrophobicContact CB-CG 4.03Å; L331-K334 WeakPolarHBondContact O-CE 3.34Å; L331-K334 PolarHBondContact O-NZ 2.96Å; L331-W371 HydrophobicContact CD2-CH2 3.89Å; L331-W371 HydrophobicContact CD2-CZ2 4.37Å; L331-W371 HydrophobicContact CD2-CZ3 4.24Å; L331-W371 HydrophobicContact CG-CH2 4.43Å; L331-I374 HydrophobicContact CD2-CG2 4.25Å
332	I	97.5	Very high	97.7	Very high	112 Å²	112	42.5 Å²	42.5	57%	0.574	23%	0.225	S	C	*	.	S	Bend	trans	-74	-51.6	175.4	-68.2	168.9	0	0	0	109.8	S375 E376	I332-S375 PolarHBondContact N-OG 3.36Å; I332-S375 VanDerWaalsContact N-OG 3.08Å; I332-E376 HydrophobicContact CB-CG 4.19Å; I332-E376 HydrophobicContact CD1-CG 3.42Å; I332-E376 VanDerWaalsContact CD1-CG 3.42Å; I332-E376 HydrophobicContact CG1-CG 4.33Å; I332-E376 HydrophobicContact CG2-CG 4.43Å
333	K	96.4	Very high	97.7	Very high	111 Å²	111	42.5 Å²	42.5	48%	0.483	23%	0.225	S	C	.	.	S	Bend	trans	-102.6	103.6	177	-68.3	-172.4	-178.3	161.5	0	111.6	V77 S336 S375 E376	V77-K333 WeakPolarHBondContact CG2-O 3.42Å; K333-S336 PolarHBondContact O-OG 3.43Å; K333-S375 WeakPolarHBondContact CB-O 3.12Å; K333-S375 PolarHBondContact N-O 3.26Å; K333-E376 VanDerWaalsContact CD-O 3.23Å; K333-E376 WeakPolarHBondContact CD-O 3.14Å; K333-E376 WeakPolarHBondContact CE-O 3.47Å; K333-E376 PolarHBondContact NZ-O 3.38Å
334	K	97.3	Very high	97.7	Very high	113 Å²	113	42.4 Å²	42.4	49%	0.491	22%	0.224	S	C	.	.			trans	-95.7	156.5	176.5	-66	171.5	-179	105.7	0	111.6	Q75 S328 P329 L331 S336	Q75-K334 WeakPolarHBondContact O-CB 3.39Å; S328-K334 WeakPolarHBondContact O-CE 3.25Å; P329-K334 VanDerWaalsContact O-CE 3.24Å; P329-K334 WeakPolarHBondContact O-CE 3.43Å; P329-K334 PolarHBondContact O-NZ 3.12Å; L331-K334 HydrophobicContact CB-CG 4.03Å; L331-K334 WeakPolarHBondContact O-CE 3.34Å; L331-K334 PolarHBondContact O-NZ 2.96Å; K334-S336 VanDerWaalsContact C-N 3.29Å; K334-S336 PolarHBondContact O-N 2.87Å
335	G	97.4	Very high	97.7	Very high	55 Å²	55	42.3 Å²	42.3	57%	0.567	22%	0.223	S	C	*	.	S	Bend	trans	65.9	30.1	179.6	0	0	0	0	0	114.2	A74 G76	A74-G335 WeakPolarHBondContact O-CA 3.19Å; G76-G335 WeakPolarHBondContact O-CA 3.45Å; G76-G335 PolarHBondContact O-N 2.97Å
336	S	97.5	Very high	97.7	Very high	38 Å²	38	42.3 Å²	42.3	27%	0.266	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	176	-173.4	76.6	0	0	0	0	112.5	G76 K78 K333 K334	G76-S336 PolarHBondContact O-N 3.06Å; K78-S336 PolarHBondContact N-O 3.49Å; K333-S336 PolarHBondContact O-OG 3.43Å; K334-S336 VanDerWaalsContact C-N 3.29Å; K334-S336 PolarHBondContact O-N 2.87Å
337	K	97.6	Very high	97.7	Very high	127 Å²	127	42.4 Å²	42.4	55%	0.552	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.5	174.6	-64.2	-177.9	176.6	-169.5	0	108.9	K78 E80	K78-K337 HydrophobicContact CB-CG 4.31Å; K78-K337 HydrophobicContact CD-CG 4.5Å; K78-K337 CarbonylContact O-C 3.58Å; K78-K337 WeakPolarHBondContact O-CA 3.48Å; E80-K337 HydrophobicContact CG-CB 4.04Å; E80-K337 HydrophobicContact CG-CD 4.11Å; E80-K337 HydrophobicContact CG-CG 4.23Å
338	C	97.2	Very high	97.7	Very high	8 Å²	8	42 Å²	42	5%	0.054	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	113.3	170.5	178.2	0	0	0	0	109.3	V77 K78 L79 E80 T340	V77-C338 HydrophobicContact CG1-CB 3.61Å; K78-C338 PolarHBondContact O-N 2.62Å; L79-C338 HydrophobicContact CD2-CB 3.92Å; E80-C338 PolarHBondContact N-O 3.29Å; C338-T340 PolarHBondContact SG-OG1 3.22Å
339	Q	95.5	Very high	97.7	Very high	147 Å²	147	42 Å²	42	69%	0.687	22%	0.221	S	C	*	.			trans	-105.8	-0.3	178.2	-65.1	-176.3	-40.3	0	0	112.7	E80 N81	E80-Q339 HydrophobicContact CB-CG 4.33Å; N81-Q339 WeakPolarHBondContact CB-O 3.37Å; N81-Q339 PolarHBondContact ND2-O 3.02Å
340	T	94.6	Very high	97.8	Very high	39 Å²	39	40 Å²	40	24%	0.239	21%	0.209	C	C	.	.	S	Bend	trans	-72.6	157.1	173.1	61.9	0	0	0	0	110.6	C338 V342	C338-T340 PolarHBondContact SG-OG1 3.22Å; T340-V342 PolarHBondContact O-N 2.75Å
341	L	97.5	Very high	97.8	Very high	13 Å²	13	36.8 Å²	36.8	7%	0.068	19%	0.192	C	C	.	.			trans	-70.4	122.8	-176.7	-165.5	58.7	0	0	0	110.4	Y83 S380 R382 I385 R417	Y83-L341 HydrophobicContact CD2-CD1 3.76Å; Y83-L341 HydrophobicContact CE2-CD1 3.62Å; L341-S380 WeakPolarHBondContact O-CB 3.26Å; L341-S380 PolarHBondContact O-OG 2.81Å; L341-R382 HydrophobicContact CB-CG 4.33Å; L341-R382 HydrophobicContact CD2-CG 4Å; L341-R382 HydrophobicContact CG-CG 4.03Å; L341-I385 HydrophobicContact CD1-CD1 3.56Å; L341-I385 HydrophobicContact CD1-CG1 4.4Å; L341-I385 HydrophobicContact CD2-CD1 4.08Å; L341-I385 HydrophobicContact CD2-CG1 4.02Å; L341-I385 HydrophobicContact CG-CD1 3.69Å; L341-I385 HydrophobicContact CG-CG1 4.12Å; L341-R417 HydrophobicContact CD1-CG 4.28Å; L341-R417 HydrophobicContact CD2-CG 4.3Å
342	V	98.5	Very high	97.8	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	143.3	176.3	-176.5	0	0	0	0	108.9	N81 Y82 Y83 T340 D346 V370	N81-V342 PolarHBondContact O-N 3.08Å; N81-V342 VanDerWaalsContact O-N 3.1Å; Y82-V342 CarbonylContact C-O 3.57Å; Y82-V342 VanDerWaalsContact CA-O 3.32Å; Y82-V342 WeakPolarHBondContact CA-O 3.39Å; Y82-V342 HydrophobicContact CD2-CB 4.02Å; Y82-V342 HydrophobicContact CD2-CG1 3.76Å; Y82-V342 HydrophobicContact CE2-CG1 4.23Å; Y83-V342 PolarHBondContact N-O 3.11Å; T340-V342 PolarHBondContact O-N 2.75Å; V342-D346 HydrophobicContact CG1-CB 4.49Å; V342-V370 HydrophobicContact CG1-CG2 4.11Å
343	H	98.9	Very high	97.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	154	-179.6	-174.2	-99.6	0	0	0	110.9	Y83 Q85 Q94 Y100 T345 D346 I385	Y83-H343 CarbonylContact O-C 3.48Å; Y83-H343 WeakPolarHBondContact O-CA 3.39Å; Y83-H343 PolarHBondContact O-CD2 3.12Å; Y83-H343 VanDerWaalsContact O-CD2 3.29Å; Q85-H343 PolarHBondContact NE2-NE2 3.18Å; Q94-H343 PolarHBondContact OE1-CE1 3.08Å; Y100-H343 AromaticContact CE1-CE1 3.75Å; Y100-H343 AromaticContact CE1-ND1 3.82Å; H343-T345 PolarHBondContact ND1-N 3.32Å; H343-T345 PolarHBondContact ND1-OG1 2.83Å; H343-T345 PolarHBondContact O-N 3.29Å; H343-T345 VanDerWaalsContact O-N 3.08Å; H343-D346 PolarHBondContact N-OD2 3.48Å; H343-D346 WeakPolarHBondContact O-CB 3.42Å; H343-D346 PolarHBondContact O-N 2.85Å; H343-I385 HydrophobicContact CB-CD1 3.78Å; H343-I385 HydrophobicContact CB-CG1 4.04Å
344	I	98.9	Very high	97.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-59.9	-23.9	-177.1	-157.3	172.7	0	0	0	113.9	Y83 V84 Q94 L95 D346 W347	Y83-I344 PolarHBondContact O-N 2.83Å; V84-I344 HydrophobicContact CB-CD1 4.44Å; V84-I344 HydrophobicContact CG1-CB 4.17Å; V84-I344 HydrophobicContact CG1-CD1 4.04Å; V84-I344 HydrophobicContact CG1-CG1 4.44Å; Q94-I344 HydrophobicContact CB-CG2 3.93Å; L95-I344 HydrophobicContact CB-CD1 4.02Å; L95-I344 HydrophobicContact CB-CG1 4Å; L95-I344 HydrophobicContact CD1-CG1 4.31Å; I344-D346 VanDerWaalsContact C-N 3.25Å; I344-D346 PolarHBondContact O-N 3.11Å; I344-W347 PolarHBondContact O-N 3.47Å
345	T	98.8	Very high	97.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-67.5	-24.5	172.8	51.1	0	0	0	0	112.9	Q94 G98 Y100 H343 W347 F348 P349 G367 R382	Q94-T345 HydrophobicContact CB-CG2 3.76Å; Q94-T345 HydrophobicContact CG-CG2 4.38Å; G98-T345 WeakPolarHBondContact CA-O 3.46Å; Y100-T345 HydrophobicContact CD1-CG2 3.99Å; Y100-T345 HydrophobicContact CE1-CG2 4.03Å; H343-T345 PolarHBondContact ND1-N 3.32Å; H343-T345 PolarHBondContact ND1-OG1 2.83Å; H343-T345 PolarHBondContact O-N 3.29Å; H343-T345 VanDerWaalsContact O-N 3.08Å; T345-W347 PolarHBondContact O-N 3.06Å; T345-F348 PolarHBondContact O-N 2.72Å; T345-P349 VanDerWaalsContact O-CD 3.28Å; T345-P349 WeakPolarHBondContact O-CD 3.38Å; T345-G367 WeakPolarHBondContact O-CA 3.39Å; T345-R382 PolarHBondContact OG1-NH2 3.38Å; T345-R382 VanDerWaalsContact OG1-NH2 3.07Å
346	D	98.9	Very high	97.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-67.8	-24.4	-179	-63.1	-30.6	0	0	0	112.1	V342 H343 I344 F348 P349 T350 G367 Y368 V370 R382	V342-D346 HydrophobicContact CG1-CB 4.49Å; H343-D346 PolarHBondContact N-OD2 3.48Å; H343-D346 WeakPolarHBondContact O-CB 3.42Å; H343-D346 PolarHBondContact O-N 2.85Å; I344-D346 VanDerWaalsContact C-N 3.25Å; I344-D346 PolarHBondContact O-N 3.11Å; D346-F348 VanDerWaalsContact C-N 3.26Å; D346-F348 PolarHBondContact O-N 2.98Å; D346-P349 VanDerWaalsContact O-CD 3.28Å; D346-P349 WeakPolarHBondContact O-CD 3.21Å; D346-P349 WeakPolarHBondContact O-CG 3.46Å; D346-T350 WeakPolarHBondContact O-CB 3.13Å; D346-T350 PolarHBondContact O-N 3.41Å; D346-T350 PolarHBondContact O-OG1 2.85Å; D346-G367 WeakPolarHBondContact OD1-CA 3.49Å; D346-Y368 WeakPolarHBondContact CA-O 3.37Å; D346-Y368 VanDerWaalsContact CB-O 3.28Å; D346-Y368 WeakPolarHBondContact CB-O 3.28Å; D346-Y368 PolarHBondContact OD1-N 2.91Å; D346-V370 HydrophobicContact CB-CG1 3.93Å; D346-V370 HydrophobicContact CB-CG2 3.84Å; D346-R382 VanDerWaalsContact CG-NE 3.33Å; D346-R382 IonicContact OD1-CZ 2.64Å; D346-R382 VanDerWaalsContact OD1-CZ 3.24Å; D346-R382 IonicContact OD1-NE 3.23Å; D346-R382 PolarHBondContact OD1-NE 3.37Å; D346-R382 IonicContact OD1-NH2 3.02Å; D346-R382 PolarHBondContact OD1-NH2 2.75Å; D346-R382 IonicContact OD2-CZ 3.75Å; D346-R382 IonicContact OD2-NE 3.71Å; D346-R382 PolarHBondContact OD2-NE 3.01Å; D346-R382 IonicContact OD2-NH2 2.8Å
347	W	98.9	Very high	97.6	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.008	13%	0.134	C	C	.	.	H	α-helix	trans	-63.6	-30.9	178.8	-64.7	125.6	0	0	0	113.1	F46 L79 Y82 L95 V290 V326 I344 T345 L351 I374	F46-W347 HydrophobicContact CE2-CB 4Å; F46-W347 AromaticContact CE2-CD1 3.64Å; F46-W347 AromaticContact CE2-CD2 3.86Å; F46-W347 HydrophobicContact CE2-CD2 3.86Å; F46-W347 AromaticContact CE2-CG 3.57Å; F46-W347 HydrophobicContact CE2-CG 3.57Å; F46-W347 AromaticContact CE2-NE1 3.96Å; F46-W347 AromaticContact CZ-CD1 3.73Å; F46-W347 HydrophobicContact CZ-CG 4.14Å; F46-W347 AromaticContact CZ-NE1 3.92Å; L79-W347 HydrophobicContact CD1-CH2 3.91Å; L79-W347 HydrophobicContact CD1-CZ2 3.59Å; Y82-W347 HydrophobicContact CE2-CZ2 4.33Å; Y82-W347 AromaticContact CE2-NE1 3.55Å; Y82-W347 AromaticContact CZ-NE1 3.59Å; Y82-W347 PolarHBondContact OH-NE1 3.11Å; L95-W347 HydrophobicContact CD1-CB 3.7Å; L95-W347 HydrophobicContact CD1-CG 4.17Å; V290-W347 HydrophobicContact CG1-CD2 4.18Å; V290-W347 HydrophobicContact CG1-CE3 4.26Å; V290-W347 HydrophobicContact CG1-CH2 3.67Å; V290-W347 HydrophobicContact CG1-CZ2 3.53Å; V290-W347 HydrophobicContact CG1-CZ3 4.03Å; V290-W347 HydrophobicContact CG2-CE3 4.24Å; V290-W347 HydrophobicContact CG2-CH2 4.24Å; V290-W347 HydrophobicContact CG2-CZ3 3.91Å; V326-W347 HydrophobicContact CG2-CH2 3.53Å; V326-W347 HydrophobicContact CG2-CZ3 4.12Å; I344-W347 PolarHBondContact O-N 3.47Å; T345-W347 PolarHBondContact O-N 3.06Å; W347-L351 HydrophobicContact CB-CD1 4.17Å; W347-L351 WeakPolarHBondContact O-CB 3.34Å; W347-L351 WeakPolarHBondContact O-CD1 3.43Å; W347-L351 WeakPolarHBondContact O-CG 3.36Å; W347-L351 PolarHBondContact O-N 2.73Å; W347-I374 HydrophobicContact CH2-CD1 3.69Å; W347-I374 HydrophobicContact CZ3-CD1 3.92Å
348	F	98.8	Very high	97.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.8	-63.3	177.3	-177.3	-71.4	0	0	0	111.3	M96 G98 L126 K129 T345 D346 T350 L351 V352 L359 L365	M96-F348 WeakPolarHBondContact O-CD2 3.33Å; M96-F348 WeakPolarHBondContact O-CE2 3.3Å; G98-F348 VanDerWaalsContact CA-CB 3.47Å; L126-F348 HydrophobicContact CB-CD2 3.77Å; L126-F348 HydrophobicContact CB-CE2 4.15Å; K129-F348 HydrophobicContact CG-CE1 4.32Å; K129-F348 HydrophobicContact CG-CZ 3.84Å; T345-F348 PolarHBondContact O-N 2.72Å; D346-F348 VanDerWaalsContact C-N 3.26Å; D346-F348 PolarHBondContact O-N 2.98Å; F348-T350 PolarHBondContact O-N 2.91Å; F348-L351 PolarHBondContact O-N 2.79Å; F348-V352 HydrophobicContact CD1-CG2 4.31Å; F348-V352 HydrophobicContact CE1-CG2 4.18Å; F348-V352 VanDerWaalsContact O-CG2 3.26Å; F348-V352 WeakPolarHBondContact O-CG2 3.38Å; F348-V352 PolarHBondContact O-N 2.79Å; F348-V352 VanDerWaalsContact O-N 3.1Å; F348-L359 HydrophobicContact CD1-CD2 4.44Å; F348-L359 HydrophobicContact CE1-CD2 4.2Å; F348-L365 HydrophobicContact CD1-CD1 3.96Å; F348-L365 HydrophobicContact CD1-CD2 3.98Å; F348-L365 HydrophobicContact CE1-CD1 4.07Å; F348-L365 HydrophobicContact CE1-CD2 3.97Å
349	P	98.6	Very high	97.2	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.013	15%	0.151	C	C	.	.	H	α-helix	trans	-63.7	-41.5	-179.5	24.1	-33.9	0	0	0	112	T345 D346 L351 V352 T353 L359 L365 Y368	T345-P349 VanDerWaalsContact O-CD 3.28Å; T345-P349 WeakPolarHBondContact O-CD 3.38Å; D346-P349 VanDerWaalsContact O-CD 3.28Å; D346-P349 WeakPolarHBondContact O-CD 3.21Å; D346-P349 WeakPolarHBondContact O-CG 3.46Å; P349-L351 VanDerWaalsContact C-N 3.35Å; P349-L351 PolarHBondContact O-N 2.74Å; P349-V352 PolarHBondContact O-N 3.21Å; P349-T353 WeakPolarHBondContact O-CG2 3.36Å; P349-T353 PolarHBondContact O-N 3.12Å; P349-T353 PolarHBondContact O-OG1 3.39Å; P349-L359 HydrophobicContact CB-CD1 3.61Å; P349-L359 HydrophobicContact CB-CD2 4.23Å; P349-L365 HydrophobicContact CB-CD1 4.28Å; P349-Y368 VanDerWaalsContact CG-C 3.4Å; P349-Y368 WeakPolarHBondContact CG-O 3.22Å
350	T	98.7	Very high	96.8	Very high	0 Å²	0	21 Å²	21	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58.1	-44.2	-179.8	-56.5	0	0	0	0	112.5	D346 F348 T353 L354 Y368 D369 V370 W371	D346-T350 WeakPolarHBondContact O-CB 3.13Å; D346-T350 PolarHBondContact O-N 3.41Å; D346-T350 PolarHBondContact O-OG1 2.85Å; F348-T350 PolarHBondContact O-N 2.91Å; T350-T353 PolarHBondContact O-OG1 2.88Å; T350-T353 VanDerWaalsContact O-OG1 3.1Å; T350-L354 HydrophobicContact CG2-CD1 3.94Å; T350-L354 VanDerWaalsContact O-CB 3.24Å; T350-L354 WeakPolarHBondContact O-CB 3.31Å; T350-L354 WeakPolarHBondContact O-CD1 3.36Å; T350-L354 WeakPolarHBondContact O-CG 3.41Å; T350-L354 PolarHBondContact O-N 3.1Å; T350-Y368 PolarHBondContact OG1-O 2.77Å; T350-D369 WeakPolarHBondContact OG1-CA 3.49Å; T350-V370 HydrophobicContact CG2-CG2 4.41Å; T350-V370 WeakPolarHBondContact OG1-CG2 3.45Å; T350-V370 PolarHBondContact OG1-N 2.9Å; T350-W371 HydrophobicContact CG2-CB 3.94Å
351	L	98.8	Very high	95.8	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-79.1	-33.2	-176.9	-64	175.5	0	0	0	112	I44 F46 L126 V290 W347 F348 P349 L354 G355	I44-L351 HydrophobicContact CD1-CB 4.28Å; I44-L351 HydrophobicContact CD1-CD2 4.38Å; I44-L351 HydrophobicContact CG2-CD1 4.2Å; I44-L351 HydrophobicContact CG2-CD2 3.87Å; F46-L351 HydrophobicContact CD2-CD1 3.83Å; F46-L351 HydrophobicContact CE2-CD1 4.37Å; L126-L351 HydrophobicContact CD1-CB 4.09Å; L126-L351 HydrophobicContact CD2-CD1 3.95Å; V290-L351 HydrophobicContact CG2-CD2 4.46Å; W347-L351 HydrophobicContact CB-CD1 4.17Å; W347-L351 WeakPolarHBondContact O-CB 3.34Å; W347-L351 WeakPolarHBondContact O-CD1 3.43Å; W347-L351 WeakPolarHBondContact O-CG 3.36Å; W347-L351 PolarHBondContact O-N 2.73Å; F348-L351 PolarHBondContact O-N 2.79Å; P349-L351 VanDerWaalsContact C-N 3.35Å; P349-L351 PolarHBondContact O-N 2.74Å; L351-L354 HydrophobicContact CD2-CD1 4.32Å; L351-G355 PolarHBondContact O-N 3.33Å
352	V	98.4	Very high	94.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.8	-47.1	173.9	172.4	0	0	0	0	110.6	L126 K129 F348 P349 G355 G356 G357 L359	L126-V352 HydrophobicContact CD1-CG2 3.66Å; K129-V352 HydrophobicContact CB-CG1 4.25Å; K129-V352 HydrophobicContact CB-CG2 3.58Å; K129-V352 HydrophobicContact CG-CG2 4.29Å; F348-V352 HydrophobicContact CD1-CG2 4.31Å; F348-V352 HydrophobicContact CE1-CG2 4.18Å; F348-V352 VanDerWaalsContact O-CG2 3.26Å; F348-V352 WeakPolarHBondContact O-CG2 3.38Å; F348-V352 PolarHBondContact O-N 2.79Å; F348-V352 VanDerWaalsContact O-N 3.1Å; P349-V352 PolarHBondContact O-N 3.21Å; V352-G355 CarbonylContact O-C 3.55Å; V352-G355 PolarHBondContact O-N 3.17Å; V352-G356 PolarHBondContact O-N 3.36Å; V352-G357 WeakPolarHBondContact O-CA 3.42Å; V352-G357 PolarHBondContact O-N 3.48Å; V352-L359 HydrophobicContact CB-CD2 3.87Å; V352-L359 HydrophobicContact CG1-CD2 3.68Å; V352-L359 HydrophobicContact CG1-CG 4.46Å; V352-L359 HydrophobicContact CG2-CD2 4.47Å
353	T	97.3	Very high	93.6	Very high	48 Å²	48	35.9 Å²	35.9	29%	0.294	21%	0.207	S	C	.	.	H	α-helix	trans	-66.6	-42.6	178.9	55.9	0	0	0	0	111.8	P349 T350 G355 G356 L359 D369	P349-T353 WeakPolarHBondContact O-CG2 3.36Å; P349-T353 PolarHBondContact O-N 3.12Å; P349-T353 PolarHBondContact O-OG1 3.39Å; T350-T353 PolarHBondContact O-OG1 2.88Å; T350-T353 VanDerWaalsContact O-OG1 3.1Å; T353-G355 PolarHBondContact O-N 3.14Å; T353-G356 PolarHBondContact O-N 2.89Å; T353-L359 HydrophobicContact CG2-CD1 3.88Å; T353-L359 HydrophobicContact CG2-CG 4.25Å; T353-D369 WeakPolarHBondContact CB-OD2 3.3Å; T353-D369 PolarHBondContact OG1-OD2 3.42Å
354	L	96.5	Very high	93.1	Very high	33 Å²	33	41.3 Å²	41.3	17%	0.173	24%	0.235	C	C	.	.	H	α-helix	trans	-58.5	-37.7	172.9	-82	169.8	0	0	0	112.7	P42 T350 L351 G356 W371	P42-L354 VanDerWaalsContact CD-O 3.25Å; P42-L354 WeakPolarHBondContact CD-O 3.44Å; T350-L354 HydrophobicContact CG2-CD1 3.94Å; T350-L354 VanDerWaalsContact O-CB 3.24Å; T350-L354 WeakPolarHBondContact O-CB 3.31Å; T350-L354 WeakPolarHBondContact O-CD1 3.36Å; T350-L354 WeakPolarHBondContact O-CG 3.41Å; T350-L354 PolarHBondContact O-N 3.1Å; L351-L354 HydrophobicContact CD2-CD1 4.32Å; L354-G356 PolarHBondContact O-N 3.39Å; L354-W371 HydrophobicContact CD1-CB 4.36Å; L354-W371 HydrophobicContact CD1-CD2 3.71Å; L354-W371 HydrophobicContact CD1-CE3 3.45Å; L354-W371 VanDerWaalsContact CD1-CE3 3.45Å; L354-W371 HydrophobicContact CD1-CG 4.12Å; L354-W371 HydrophobicContact CD1-CZ3 3.88Å; L354-W371 HydrophobicContact CD2-CB 4.39Å; L354-W371 HydrophobicContact CD2-CD2 3.63Å; L354-W371 HydrophobicContact CD2-CE3 4.22Å; L354-W371 HydrophobicContact CD2-CG 3.7Å; L354-W371 HydrophobicContact CD2-CZ2 4.2Å; L354-W371 HydrophobicContact CG-CB 4.36Å; L354-W371 HydrophobicContact CG-CD2 4.12Å; L354-W371 HydrophobicContact CG-CE3 4.36Å; L354-W371 HydrophobicContact CG-CG 4.13Å
355	G	96.5	Very high	92.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	12.9	175	0	0	0	0	0	114.2	Q41 Y135 L351 V352 T353 G357	Q41-G355 PolarHBondContact NE2-O 3.23Å; Y135-G355 WeakPolarHBondContact CE2-O 3.47Å; Y135-G355 WeakPolarHBondContact OH-CA 3.3Å; L351-G355 PolarHBondContact O-N 3.33Å; V352-G355 CarbonylContact O-C 3.55Å; V352-G355 PolarHBondContact O-N 3.17Å; T353-G355 PolarHBondContact O-N 3.14Å; G355-G357 PolarHBondContact O-N 3Å; G355-G357 VanDerWaalsContact O-N 3.16Å
356	G	95.6	Very high	92.9	Very high	55 Å²	55	44.4 Å²	44.4	57%	0.567	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	14.6	179.3	0	0	0	0	0	114.5	V352 T353 L354	V352-G356 PolarHBondContact O-N 3.36Å; T353-G356 PolarHBondContact O-N 2.89Å; L354-G356 PolarHBondContact O-N 3.39Å
357	G	95.3	Very high	92.8	Very high	15 Å²	15	44.9 Å²	44.9	16%	0.155	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-82.4	164.5	175	0	0	0	0	0	112.5	V352 G355	V352-G357 WeakPolarHBondContact O-CA 3.42Å; V352-G357 PolarHBondContact O-N 3.48Å; G355-G357 PolarHBondContact O-N 3Å; G355-G357 VanDerWaalsContact O-N 3.16Å
358	T	93.3	Very high	92.8	Very high	100 Å²	100	49.1 Å²	49.1	61%	0.613	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-103.2	141.5	178.9	57	0	0	0	0	111.8
359	L	93.3	Very high	92.7	Very high	67 Å²	67	52.3 Å²	52.3	35%	0.351	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-94.9	129.1	171.7	-57.7	176.7	0	0	0	108.8	F348 P349 V352 T353 L365	F348-L359 HydrophobicContact CD1-CD2 4.44Å; F348-L359 HydrophobicContact CE1-CD2 4.2Å; P349-L359 HydrophobicContact CB-CD1 3.61Å; P349-L359 HydrophobicContact CB-CD2 4.23Å; V352-L359 HydrophobicContact CB-CD2 3.87Å; V352-L359 HydrophobicContact CG1-CD2 3.68Å; V352-L359 HydrophobicContact CG1-CG 4.46Å; V352-L359 HydrophobicContact CG2-CD2 4.47Å; T353-L359 HydrophobicContact CG2-CD1 3.88Å; T353-L359 HydrophobicContact CG2-CG 4.25Å; L359-L365 HydrophobicContact CD1-CD1 4.48Å; L359-L365 HydrophobicContact CD2-CD1 4.07Å
360	D	86.7	Confident	92.7	Very high	66 Å²	66	52.2 Å²	52.2	35%	0.353	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-84.8	132	178.6	-47.5	-34	0	0	0	108.8	K129 D362 Q363	K129-D360 WeakPolarHBondContact CE-OD2 3.46Å; K129-D360 IonicContact NZ-OD1 3.43Å; K129-D360 PolarHBondContact NZ-OD1 3.25Å; K129-D360 IonicContact NZ-OD2 2.74Å; K129-D360 PolarHBondContact NZ-OD2 3.02Å; D360-D362 PolarHBondContact O-N 3.17Å; D360-Q363 HydrophobicContact CB-CG 4Å; D360-Q363 WeakPolarHBondContact O-CB 3.39Å; D360-Q363 PolarHBondContact O-N 2.88Å; D360-Q363 VanDerWaalsContact O-N 3.15Å; D360-Q363 PolarHBondContact OD2-NE2 3.34Å
361	E	74.1	Confident	92.7	Very high	192 Å²	192	54.1 Å²	54.1	90%	0.897	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-58.4	-33.6	-178.6	-65.5	-173.3	169.1	0	0	112.3	Q363	E361-Q363 VanDerWaalsContact C-N 3.28Å; E361-Q363 PolarHBondContact O-N 3.41Å
362	D	75.1	Confident	92.6	Very high	149 Å²	149	58.5 Å²	58.5	80%	0.797	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-74.3	-11.2	-177.9	-67.6	-30.6	0	0	0	114.5	D360 N364	D360-D362 PolarHBondContact O-N 3.17Å; D362-N364 PolarHBondContact O-N 2.88Å; D362-N364 VanDerWaalsContact O-N 3.16Å; D362-N364 PolarHBondContact O-ND2 3.32Å
363	Q	74.7	Confident	92.6	Very high	24 Å²	24	58.6 Å²	58.6	11%	0.112	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-68.1	-14.9	-176.6	-82	177.3	11	0	0	114.1	I124 D360 E361 L365	I124-Q363 HydrophobicContact CD1-CG 4.33Å; D360-Q363 HydrophobicContact CB-CG 4Å; D360-Q363 WeakPolarHBondContact O-CB 3.39Å; D360-Q363 PolarHBondContact O-N 2.88Å; D360-Q363 VanDerWaalsContact O-N 3.15Å; D360-Q363 PolarHBondContact OD2-NE2 3.34Å; E361-Q363 VanDerWaalsContact C-N 3.28Å; E361-Q363 PolarHBondContact O-N 3.41Å; Q363-L365 VanDerWaalsContact C-N 3.32Å; Q363-L365 HydrophobicContact CB-CD2 4.18Å; Q363-L365 HydrophobicContact CB-CG 4.14Å; Q363-L365 PolarHBondContact O-N 2.91Å
364	N	87.5	Confident	92.7	Very high	113 Å²	113	56.4 Å²	56.4	60%	0.604	31%	0.305	S	S	*	.			trans	46	56.6	179.3	-69.7	-68	0	0	0	111.4	R99 D362	R99-N364 PolarHBondContact NE-O 2.97Å; D362-N364 PolarHBondContact O-N 2.88Å; D362-N364 VanDerWaalsContact O-N 3.16Å; D362-N364 PolarHBondContact O-ND2 3.32Å
365	L	96.2	Very high	92.7	Very high	44 Å²	44	54.9 Å²	54.9	23%	0.23	30%	0.297	C	S	.	.			trans	-68.5	144.7	177.9	-61.7	177.9	0	0	0	110.7	T97 R99 F348 P349 L359 Q363	T97-L365 WeakPolarHBondContact O-CD2 3.28Å; R99-L365 HydrophobicContact CG-CD2 4.28Å; F348-L365 HydrophobicContact CD1-CD1 3.96Å; F348-L365 HydrophobicContact CD1-CD2 3.98Å; F348-L365 HydrophobicContact CE1-CD1 4.07Å; F348-L365 HydrophobicContact CE1-CD2 3.97Å; P349-L365 HydrophobicContact CB-CD1 4.28Å; L359-L365 HydrophobicContact CD1-CD1 4.48Å; L359-L365 HydrophobicContact CD2-CD1 4.07Å; Q363-L365 VanDerWaalsContact C-N 3.32Å; Q363-L365 HydrophobicContact CB-CD2 4.18Å; Q363-L365 HydrophobicContact CB-CG 4.14Å; Q363-L365 PolarHBondContact O-N 2.91Å
366	D	97.9	Very high	92.8	Very high	22 Å²	22	57 Å²	57	12%	0.118	31%	0.307	C	S	.	.	S	Bend	trans	-98.2	-9.4	170.3	-66.6	-66	0	0	0	112.4	G98 R99 Y100 H103 R382	G98-D366 PolarHBondContact O-N 2.92Å; R99-D366 WeakPolarHBondContact CA-OD2 3.33Å; Y100-D366 WeakPolarHBondContact CB-OD2 3.07Å; Y100-D366 HydrophobicContact CD1-CB 4.25Å; Y100-D366 HydrophobicContact CD2-CB 3.52Å; Y100-D366 WeakPolarHBondContact CD2-OD1 3.43Å; Y100-D366 WeakPolarHBondContact CD2-OD2 3.34Å; Y100-D366 HydrophobicContact CE1-CB 4.28Å; Y100-D366 HydrophobicContact CE2-CB 3.58Å; Y100-D366 HydrophobicContact CG-CB 3.88Å; Y100-D366 PolarHBondContact N-OD2 3.05Å; H103-D366 IonicContact CE1-OD1 3.71Å; H103-D366 PolarHBondContact CE1-OD1 3.1Å; H103-D366 VanDerWaalsContact CE1-OD1 3.28Å; H103-D366 IonicContact CE1-OD2 2.64Å; H103-D366 PolarHBondContact CE1-OD2 3.36Å; H103-D366 IonicContact ND1-OD1 3.76Å; H103-D366 IonicContact ND1-OD2 3.15Å; H103-D366 PolarHBondContact ND1-OD2 3.25Å; D366-R382 PolarHBondContact O-NH2 2.67Å
367	G	97.6	Very high	92.8	Very high	9 Å²	9	56.8 Å²	56.8	9%	0.093	30%	0.304	C	S	.	.			trans	-83.6	158.6	173.8	0	0	0	0	0	112.9	G98 T345 D346	G98-G367 PolarHBondContact O-N 3.29Å; T345-G367 WeakPolarHBondContact O-CA 3.39Å; D346-G367 WeakPolarHBondContact OD1-CA 3.49Å
368	Y	97.7	Very high	92.8	Very high	92 Å²	92	61.3 Å²	61.3	36%	0.361	32%	0.317	S	S	.	.			trans	-124.6	152.6	171.4	-56.1	-90.5	0	0	0	110.1	D346 P349 T350 V370 P381 R382	D346-Y368 WeakPolarHBondContact CA-O 3.37Å; D346-Y368 VanDerWaalsContact CB-O 3.28Å; D346-Y368 WeakPolarHBondContact CB-O 3.28Å; D346-Y368 PolarHBondContact OD1-N 2.91Å; P349-Y368 VanDerWaalsContact CG-C 3.4Å; P349-Y368 WeakPolarHBondContact CG-O 3.22Å; T350-Y368 PolarHBondContact OG1-O 2.77Å; Y368-V370 PolarHBondContact O-N 3.33Å; Y368-P381 HydrophobicContact CD1-CB 4.28Å; Y368-P381 HydrophobicContact CG-CB 4.38Å; Y368-P381 HydrophobicContact CG-CG 4.19Å; Y368-R382 HydrophobicContact CD2-CB 3.92Å; Y368-R382 HydrophobicContact CD2-CG 4.37Å; Y368-R382 HydrophobicContact CE2-CB 4.31Å; Y368-R382 HydrophobicContact CE2-CG 4.43Å
369	D	97.9	Very high	92.8	Very high	66 Å²	66	62.2 Å²	62.2	35%	0.353	32%	0.324	S	S	.	.			trans	-67.5	117.8	165.7	-174.6	-11.6	0	0	0	109.3	T350 T353 W371 P381	T350-D369 WeakPolarHBondContact OG1-CA 3.49Å; T353-D369 WeakPolarHBondContact CB-OD2 3.3Å; T353-D369 PolarHBondContact OG1-OD2 3.42Å; D369-W371 WeakPolarHBondContact OD1-CB 3.5Å; D369-W371 PolarHBondContact OD1-N 3.17Å; D369-P381 WeakPolarHBondContact O-CG 3.16Å
370	V	98.4	Very high	92.8	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.006	31%	0.312	C	S	.	.			trans	-115.3	13.9	-178.7	-62.4	0	0	0	0	112.6	V342 D346 T350 Y368 E372 A373 I374 P381	V342-V370 HydrophobicContact CG1-CG2 4.11Å; D346-V370 HydrophobicContact CB-CG1 3.93Å; D346-V370 HydrophobicContact CB-CG2 3.84Å; T350-V370 HydrophobicContact CG2-CG2 4.41Å; T350-V370 WeakPolarHBondContact OG1-CG2 3.45Å; T350-V370 PolarHBondContact OG1-N 2.9Å; Y368-V370 PolarHBondContact O-N 3.33Å; V370-E372 PolarHBondContact O-N 2.95Å; V370-A373 HydrophobicContact CB-CB 4.49Å; V370-A373 WeakPolarHBondContact O-CB 3.25Å; V370-A373 PolarHBondContact O-N 3.19Å; V370-I374 HydrophobicContact CG2-CD1 3.75Å; V370-I374 HydrophobicContact CG2-CG1 4.4Å; V370-I374 WeakPolarHBondContact O-CG1 3.02Å; V370-I374 PolarHBondContact O-N 3.19Å; V370-P381 HydrophobicContact CG1-CG 4.34Å
371	W	98.2	Very high	93.3	Very high	39 Å²	39	59.7 Å²	59.7	15%	0.148	32%	0.316	C	S	.	.	H	α-helix	trans	-58.9	-47.3	-176.8	-179.7	-114.9	0	0	0	112.3	V288 V326 L331 T350 L354 D369 A373 I374 S375	V288-W371 HydrophobicContact CG1-CH2 4.12Å; V288-W371 HydrophobicContact CG1-CZ3 3.88Å; V288-W371 HydrophobicContact CG2-CH2 3.85Å; V288-W371 HydrophobicContact CG2-CZ3 4.33Å; V326-W371 HydrophobicContact CG1-CZ3 4.12Å; L331-W371 HydrophobicContact CD2-CH2 3.89Å; L331-W371 HydrophobicContact CD2-CZ2 4.37Å; L331-W371 HydrophobicContact CD2-CZ3 4.24Å; L331-W371 HydrophobicContact CG-CH2 4.43Å; T350-W371 HydrophobicContact CG2-CB 3.94Å; L354-W371 HydrophobicContact CD1-CB 4.36Å; L354-W371 HydrophobicContact CD1-CD2 3.71Å; L354-W371 HydrophobicContact CD1-CE3 3.45Å; L354-W371 VanDerWaalsContact CD1-CE3 3.45Å; L354-W371 HydrophobicContact CD1-CG 4.12Å; L354-W371 HydrophobicContact CD1-CZ3 3.88Å; L354-W371 HydrophobicContact CD2-CB 4.39Å; L354-W371 HydrophobicContact CD2-CD2 3.63Å; L354-W371 HydrophobicContact CD2-CE3 4.22Å; L354-W371 HydrophobicContact CD2-CG 3.7Å; L354-W371 HydrophobicContact CD2-CZ2 4.2Å; L354-W371 HydrophobicContact CG-CB 4.36Å; L354-W371 HydrophobicContact CG-CD2 4.12Å; L354-W371 HydrophobicContact CG-CE3 4.36Å; L354-W371 HydrophobicContact CG-CG 4.13Å; D369-W371 WeakPolarHBondContact OD1-CB 3.5Å; D369-W371 PolarHBondContact OD1-N 3.17Å; W371-A373 VanDerWaalsContact C-N 3.28Å; W371-A373 PolarHBondContact O-N 2.75Å; W371-I374 PolarHBondContact O-N 2.64Å; W371-I374 VanDerWaalsContact O-N 3.13Å; W371-S375 VanDerWaalsContact O-CB 3.26Å; W371-S375 WeakPolarHBondContact O-CB 3.41Å; W371-S375 PolarHBondContact O-N 3.23Å
372	E	97.6	Very high	94.4	Very high	93 Å²	93	50.8 Å²	50.8	44%	0.435	27%	0.274	S	S	.	.	H	α-helix	trans	-63.8	-35.3	179.3	-61.1	-169.3	154.6	0	0	112	V370 I374 E376 G377 R378	V370-E372 PolarHBondContact O-N 2.95Å; E372-I374 VanDerWaalsContact C-N 3.3Å; E372-I374 PolarHBondContact O-N 3.21Å; E372-E376 WeakPolarHBondContact O-CA 3.49Å; E372-E376 VanDerWaalsContact O-CB 3.31Å; E372-E376 WeakPolarHBondContact O-CB 3.5Å; E372-E376 PolarHBondContact O-N 3.17Å; E372-G377 PolarHBondContact O-N 3.23Å; E372-R378 HydrophobicContact CB-CB 4.38Å; E372-R378 HydrophobicContact CB-CG 4.43Å; E372-R378 PolarHBondContact O-N 3.04Å; E372-R378 IonicContact OE1-CZ 3.46Å; E372-R378 IonicContact OE1-NH1 2.73Å; E372-R378 PolarHBondContact OE1-NH1 3.06Å; E372-R378 VanDerWaalsContact OE2-CD 3.32Å; E372-R378 WeakPolarHBondContact OE2-CD 3.16Å; E372-R378 IonicContact OE2-CZ 3.11Å; E372-R378 IonicContact OE2-NE 2.77Å; E372-R378 IonicContact OE2-NH1 3.69Å; E372-R378 PolarHBondContact OE2-NH1 3.27Å
373	A	97.6	Very high	95.4	Very high	3 Å²	3	49.8 Å²	49.8	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-64.7	-37.7	176.2	0	0	0	0	0	111.6	V370 W371 G377 R378	V370-A373 HydrophobicContact CB-CB 4.49Å; V370-A373 WeakPolarHBondContact O-CB 3.25Å; V370-A373 PolarHBondContact O-N 3.19Å; W371-A373 VanDerWaalsContact C-N 3.28Å; W371-A373 PolarHBondContact O-N 2.75Å; A373-G377 VanDerWaalsContact O-CA 3.24Å; A373-G377 WeakPolarHBondContact O-CA 3.26Å; A373-G377 PolarHBondContact O-N 3.46Å; A373-R378 VanDerWaalsContact CA-O 3.3Å; A373-R378 WeakPolarHBondContact CA-O 3.33Å; A373-R378 WeakPolarHBondContact CB-O 3.5Å
374	I	98.3	Very high	96.4	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-78.5	-53.1	178	-64.7	172.6	0	0	0	111.4	V77 L79 V326 L331 W347 V370 W371 E372	V77-I374 HydrophobicContact CB-CG2 4.17Å; V77-I374 HydrophobicContact CG1-CG2 4.17Å; V77-I374 HydrophobicContact CG2-CG2 4.45Å; L79-I374 HydrophobicContact CD2-CD1 4.18Å; L79-I374 HydrophobicContact CD2-CG1 4.12Å; L79-I374 HydrophobicContact CD2-CG2 4.4Å; V326-I374 HydrophobicContact CB-CG2 3.99Å; V326-I374 HydrophobicContact CG1-CG2 4.46Å; V326-I374 HydrophobicContact CG2-CD1 4.28Å; V326-I374 HydrophobicContact CG2-CG2 3.89Å; L331-I374 HydrophobicContact CD2-CG2 4.25Å; W347-I374 HydrophobicContact CH2-CD1 3.69Å; W347-I374 HydrophobicContact CZ3-CD1 3.92Å; V370-I374 HydrophobicContact CG2-CD1 3.75Å; V370-I374 HydrophobicContact CG2-CG1 4.4Å; V370-I374 WeakPolarHBondContact O-CG1 3.02Å; V370-I374 PolarHBondContact O-N 3.19Å; W371-I374 PolarHBondContact O-N 2.64Å; W371-I374 VanDerWaalsContact O-N 3.13Å; E372-I374 VanDerWaalsContact C-N 3.3Å; E372-I374 PolarHBondContact O-N 3.21Å
375	S	98.1	Very high	97	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-73.2	-41.6	-172	-173.7	0	0	0	0	112.6	I332 K333 W371	I332-S375 PolarHBondContact N-OG 3.36Å; I332-S375 VanDerWaalsContact N-OG 3.08Å; K333-S375 WeakPolarHBondContact CB-O 3.12Å; K333-S375 PolarHBondContact N-O 3.26Å; W371-S375 VanDerWaalsContact O-CB 3.26Å; W371-S375 WeakPolarHBondContact O-CB 3.41Å; W371-S375 PolarHBondContact O-N 3.23Å
376	E	97.1	Very high	97.1	Very high	46 Å²	46	41.9 Å²	41.9	22%	0.215	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-12.5	-174.6	-62.5	-179.6	-147.5	0	0	113.2	I332 K333 E372 R378	I332-E376 HydrophobicContact CB-CG 4.19Å; I332-E376 HydrophobicContact CD1-CG 3.42Å; I332-E376 VanDerWaalsContact CD1-CG 3.42Å; I332-E376 HydrophobicContact CG1-CG 4.33Å; I332-E376 HydrophobicContact CG2-CG 4.43Å; K333-E376 VanDerWaalsContact CD-O 3.23Å; K333-E376 WeakPolarHBondContact CD-O 3.14Å; K333-E376 WeakPolarHBondContact CE-O 3.47Å; K333-E376 PolarHBondContact NZ-O 3.38Å; E372-E376 WeakPolarHBondContact O-CA 3.49Å; E372-E376 VanDerWaalsContact O-CB 3.31Å; E372-E376 WeakPolarHBondContact O-CB 3.5Å; E372-E376 PolarHBondContact O-N 3.17Å; E376-R378 VanDerWaalsContact C-N 3.35Å; E376-R378 HydrophobicContact CB-CG 4.09Å; E376-R378 IonicContact OE1-NH2 3.65Å; E376-R378 IonicContact OE2-CZ 2.82Å; E376-R378 IonicContact OE2-NE 3Å; E376-R378 PolarHBondContact OE2-NE 3.49Å; E376-R378 IonicContact OE2-NH2 2.74Å; E376-R378 PolarHBondContact OE2-NH2 3.47Å
377	G	95.3	Very high	97.1	Very high	50 Å²	50	40.9 Å²	40.9	52%	0.515	22%	0.221	S	C	.	.			trans	71.3	29.5	-173.3	0	0	0	0	0	113.1	E372 A373	E372-G377 PolarHBondContact O-N 3.23Å; A373-G377 VanDerWaalsContact O-CA 3.24Å; A373-G377 WeakPolarHBondContact O-CA 3.26Å; A373-G377 PolarHBondContact O-N 3.46Å
378	R	95.6	Very high	97.2	Very high	110 Å²	110	40.7 Å²	40.7	42%	0.415	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-70.9	161.8	170.5	-68	-167.7	-167	175.4	2.5	111	E372 A373 E376 S380	E372-R378 HydrophobicContact CB-CB 4.38Å; E372-R378 HydrophobicContact CB-CG 4.43Å; E372-R378 PolarHBondContact O-N 3.04Å; E372-R378 IonicContact OE1-CZ 3.46Å; E372-R378 IonicContact OE1-NH1 2.73Å; E372-R378 PolarHBondContact OE1-NH1 3.06Å; E372-R378 VanDerWaalsContact OE2-CD 3.32Å; E372-R378 WeakPolarHBondContact OE2-CD 3.16Å; E372-R378 IonicContact OE2-CZ 3.11Å; E372-R378 IonicContact OE2-NE 2.77Å; E372-R378 IonicContact OE2-NH1 3.69Å; E372-R378 PolarHBondContact OE2-NH1 3.27Å; A373-R378 VanDerWaalsContact CA-O 3.3Å; A373-R378 WeakPolarHBondContact CA-O 3.33Å; A373-R378 WeakPolarHBondContact CB-O 3.5Å; E376-R378 VanDerWaalsContact C-N 3.35Å; E376-R378 HydrophobicContact CB-CG 4.09Å; E376-R378 IonicContact OE1-NH2 3.65Å; E376-R378 IonicContact OE2-CZ 2.82Å; E376-R378 IonicContact OE2-NE 3Å; E376-R378 PolarHBondContact OE2-NE 3.49Å; E376-R378 IonicContact OE2-NH2 2.74Å; E376-R378 PolarHBondContact OE2-NH2 3.47Å; R378-S380 PolarHBondContact O-N 3.03Å
379	P	93.8	Very high	97.2	Very high	118 Å²	118	36.4 Å²	36.4	77%	0.766	20%	0.201	S	C	*	.	P	Polyproline II helix	trans	-57	135.6	171.1	-24.4	35.3	0	0	0	111.5
380	S	94.4	Very high	97.2	Very high	15 Å²	15	33.5 Å²	33.5	11%	0.105	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-68.1	138.8	173.9	175.9	0	0	0	0	110.4	L341 R378 R382	L341-S380 WeakPolarHBondContact O-CB 3.26Å; L341-S380 PolarHBondContact O-OG 2.81Å; R378-S380 PolarHBondContact O-N 3.03Å; S380-R382 PolarHBondContact O-N 2.81Å; S380-R382 WeakPolarHBondContact OG-CB 3.04Å; S380-R382 PolarHBondContact OG-N 3.29Å; S380-R382 VanDerWaalsContact OG-N 3.12Å
381	P	96	Very high	97.1	Very high	65 Å²	65	36.1 Å²	36.1	42%	0.422	20%	0.203	S	C	.	.	S	Bend	trans	-65	-19.5	170.6	28.6	-36.4	0	0	0	112.4	Y368 D369 V370 L383	Y368-P381 HydrophobicContact CD1-CB 4.28Å; Y368-P381 HydrophobicContact CG-CB 4.38Å; Y368-P381 HydrophobicContact CG-CG 4.19Å; D369-P381 WeakPolarHBondContact O-CG 3.16Å; V370-P381 HydrophobicContact CG1-CG 4.34Å; P381-L383 PolarHBondContact O-N 2.86Å
382	R	96.9	Very high	97	Very high	6 Å²	6	38.6 Å²	38.6	2%	0.023	22%	0.218	C	C	.	.			trans	-78	119.5	-179.6	177.9	175.3	-76.1	-66.9	-1.2	111.5	Y100 L341 T345 D346 D366 Y368 S380 D384 I385	Y100-R382 PolarHBondContact OH-NH1 3.39Å; L341-R382 HydrophobicContact CB-CG 4.33Å; L341-R382 HydrophobicContact CD2-CG 4Å; L341-R382 HydrophobicContact CG-CG 4.03Å; T345-R382 PolarHBondContact OG1-NH2 3.38Å; T345-R382 VanDerWaalsContact OG1-NH2 3.07Å; D346-R382 VanDerWaalsContact CG-NE 3.33Å; D346-R382 IonicContact OD1-CZ 2.64Å; D346-R382 VanDerWaalsContact OD1-CZ 3.24Å; D346-R382 IonicContact OD1-NE 3.23Å; D346-R382 PolarHBondContact OD1-NE 3.37Å; D346-R382 IonicContact OD1-NH2 3.02Å; D346-R382 PolarHBondContact OD1-NH2 2.75Å; D346-R382 IonicContact OD2-CZ 3.75Å; D346-R382 IonicContact OD2-NE 3.71Å; D346-R382 PolarHBondContact OD2-NE 3.01Å; D346-R382 IonicContact OD2-NH2 2.8Å; D366-R382 PolarHBondContact O-NH2 2.67Å; Y368-R382 HydrophobicContact CD2-CB 3.92Å; Y368-R382 HydrophobicContact CD2-CG 4.37Å; Y368-R382 HydrophobicContact CE2-CB 4.31Å; Y368-R382 HydrophobicContact CE2-CG 4.43Å; S380-R382 PolarHBondContact O-N 2.81Å; S380-R382 WeakPolarHBondContact OG-CB 3.04Å; S380-R382 PolarHBondContact OG-N 3.29Å; S380-R382 VanDerWaalsContact OG-N 3.12Å; R382-D384 WeakPolarHBondContact CG-O 3.21Å; R382-D384 PolarHBondContact NH1-O 3.22Å; R382-I385 HydrophobicContact CG-CG1 4.36Å
383	L	95.8	Very high	96.7	Very high	128 Å²	128	37.8 Å²	37.8	67%	0.67	21%	0.211	S	C	*	.			trans	-105.8	-22.2	177.6	-58.5	-179.7	0	0	0	113.6	P381 G419	P381-L383 PolarHBondContact O-N 2.86Å; L383-G419 PolarHBondContact O-N 2.99Å
384	D	97.4	Very high	96.3	Very high	13 Å²	13	43.4 Å²	43.4	7%	0.07	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	162.9	178.5	59.8	5.6	0	0	0	113.5	R382 R417 V418 R490 Y494	R382-D384 WeakPolarHBondContact CG-O 3.21Å; R382-D384 PolarHBondContact NH1-O 3.22Å; D384-R417 CarbonylContact C-O 3.57Å; D384-R417 WeakPolarHBondContact CA-O 3.41Å; D384-R417 WeakPolarHBondContact CB-O 3.38Å; D384-V418 HydrophobicContact CB-CB 4.29Å; D384-V418 HydrophobicContact CB-CG1 4.32Å; D384-V418 HydrophobicContact CB-CG2 3.87Å; D384-R490 IonicContact OD1-NH2 2.79Å; D384-R490 IonicContact OD2-CZ 3.72Å; D384-R490 IonicContact OD2-NE 3.76Å; D384-R490 PolarHBondContact OD2-NE 3.41Å; D384-R490 IonicContact OD2-NH2 3.25Å; D384-R490 PolarHBondContact OD2-NH2 3.41Å; D384-Y494 PolarHBondContact OD1-OH 3.49Å; D384-Y494 VanDerWaalsContact OD1-OH 3.05Å; D384-Y494 PolarHBondContact OD2-OH 3.17Å
385	I	98.6	Very high	95.8	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	119.1	174.3	-62.4	170.2	0	0	0	107.5	Y83 L341 H343 R382 H387 L416 R417	Y83-I385 HydrophobicContact CD2-CD1 3.61Å; Y83-I385 HydrophobicContact CE2-CD1 4.49Å; Y83-I385 HydrophobicContact CG-CD1 3.96Å; L341-I385 HydrophobicContact CD1-CD1 3.56Å; L341-I385 HydrophobicContact CD1-CG1 4.4Å; L341-I385 HydrophobicContact CD2-CD1 4.08Å; L341-I385 HydrophobicContact CD2-CG1 4.02Å; L341-I385 HydrophobicContact CG-CD1 3.69Å; L341-I385 HydrophobicContact CG-CG1 4.12Å; H343-I385 HydrophobicContact CB-CD1 3.78Å; H343-I385 HydrophobicContact CB-CG1 4.04Å; R382-I385 HydrophobicContact CG-CG1 4.36Å; I385-H387 PolarHBondContact O-N 3.26Å; I385-L416 WeakPolarHBondContact O-CD1 3.17Å; I385-R417 HydrophobicContact CB-CB 4.28Å; I385-R417 PolarHBondContact N-O 3.25Å; I385-R417 PolarHBondContact O-N 2.88Å
386	L	98.8	Very high	95.3	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	117.2	156.3	-179.1	69.9	0	0	0	107.9	Y100 I102 I389 L416 L491 Y494	Y100-L386 HydrophobicContact CD2-CB 4.12Å; Y100-L386 HydrophobicContact CD2-CD2 4.39Å; Y100-L386 WeakPolarHBondContact CE1-O 3.17Å; Y100-L386 HydrophobicContact CE2-CB 3.89Å; I102-L386 HydrophobicContact CD1-CD2 3.5Å; I102-L386 VanDerWaalsContact CD1-CD2 3.5Å; I102-L386 HydrophobicContact CG1-CD2 3.85Å; I102-L386 HydrophobicContact CG2-CD2 3.93Å; L386-I389 HydrophobicContact CD1-CD1 4.12Å; L386-I389 HydrophobicContact CD1-CG1 3.85Å; L386-I389 HydrophobicContact CD2-CD1 4.23Å; L386-I389 HydrophobicContact CD2-CG1 4.21Å; L386-L416 HydrophobicContact CD1-CD1 4.47Å; L386-L491 HydrophobicContact CD1-CD1 3.57Å; L386-Y494 HydrophobicContact CB-CD1 4.08Å; L386-Y494 HydrophobicContact CB-CD2 4.02Å; L386-Y494 HydrophobicContact CB-CE1 4.05Å; L386-Y494 HydrophobicContact CB-CE2 3.98Å; L386-Y494 HydrophobicContact CB-CG 4.06Å; L386-Y494 HydrophobicContact CD1-CD2 4.12Å; L386-Y494 HydrophobicContact CD1-CG 4.26Å; L386-Y494 HydrophobicContact CD2-CD1 4.01Å; L386-Y494 HydrophobicContact CD2-CG 3.88Å; L386-Y494 HydrophobicContact CG-CD2 4.45Å; L386-Y494 HydrophobicContact CG-CG 4.3Å
387	H	98.6	Very high	94.8	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	-61.3	173.1	-66	-58.3	0	0	0	108.8	Y83 Q85 I320 I385 A415	Y83-H387 AromaticContact CD1-CE1 3.53Å; Y83-H387 AromaticContact CG-CE1 3.91Å; Q85-H387 VanDerWaalsContact CD-O 3.23Å; Q85-H387 PolarHBondContact NE2-O 3.33Å; Q85-H387 PolarHBondContact OE1-O 3.12Å; I320-H387 HydrophobicContact CD1-CB 4.5Å; I385-H387 PolarHBondContact O-N 3.26Å; H387-A415 HydrophobicContact CB-CB 3.94Å; H387-A415 WeakPolarHBondContact CB-O 3.35Å; H387-A415 PolarHBondContact N-O 2.88Å
388	N	98.8	Very high	94.5	Very high	5 Å²	5	59.7 Å²	59.7	3%	0.027	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	166.4	172.3	-165	26.7	0	0	0	111.3	Q107 Y315 A414 A415	Q107-N388 PolarHBondContact O-ND2 3.38Å; Y315-N388 HydrophobicContact CE1-CB 4.45Å; Y315-N388 HydrophobicContact CE2-CB 4.1Å; Y315-N388 WeakPolarHBondContact OH-CB 3.29Å; Y315-N388 PolarHBondContact OH-ND2 2.99Å; N388-A414 VanDerWaalsContact O-CA 3.25Å; N388-A414 WeakPolarHBondContact O-CA 3.38Å; N388-A415 PolarHBondContact O-N 2.82Å
389	I	98.7	Very high	94.3	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.015	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	110	167	-55.9	177.3	0	0	0	107.3	I102 Q107 L386 P391 W408 V412 A414 L491 N495	I102-I389 HydrophobicContact CG2-CB 4.11Å; I102-I389 HydrophobicContact CG2-CD1 4.49Å; I102-I389 HydrophobicContact CG2-CG1 4.33Å; Q107-I389 WeakPolarHBondContact CB-O 3.32Å; Q107-I389 WeakPolarHBondContact CG-O 3.43Å; L386-I389 HydrophobicContact CD1-CD1 4.12Å; L386-I389 HydrophobicContact CD1-CG1 3.85Å; L386-I389 HydrophobicContact CD2-CD1 4.23Å; L386-I389 HydrophobicContact CD2-CG1 4.21Å; I389-P391 WeakPolarHBondContact O-CD 3.1Å; I389-W408 HydrophobicContact CD1-CH2 4.01Å; I389-W408 HydrophobicContact CG1-CH2 4.5Å; I389-W408 HydrophobicContact CG2-CH2 3.74Å; I389-W408 HydrophobicContact CG2-CZ2 4Å; I389-V412 HydrophobicContact CG2-CG1 3.96Å; I389-A414 HydrophobicContact CG1-CB 4.3Å; I389-L491 HydrophobicContact CD1-CD1 3.81Å; I389-L491 HydrophobicContact CD1-CG 4.4Å; I389-L491 HydrophobicContact CG1-CD1 3.91Å; I389-N495 HydrophobicContact CD1-CB 3.86Å
390	D	98.3	Very high	94.4	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	97.5	177.4	-171.5	-11	0	0	0	110.6	H108 I392 Y393 Q413	H108-D390 IonicContact CE1-OD2 3.3Å; H108-D390 IonicContact CG-OD1 3.16Å; H108-D390 IonicContact CG-OD2 2.73Å; H108-D390 IonicContact ND1-OD1 3.16Å; H108-D390 PolarHBondContact ND1-OD1 3.26Å; H108-D390 IonicContact ND1-OD2 3.06Å; H108-D390 PolarHBondContact ND1-OD2 3.22Å; D390-I392 VanDerWaalsContact C-N 3.3Å; D390-I392 PolarHBondContact O-N 2.8Å; D390-I392 WeakPolarHBondContact OD1-CG1 3.41Å; D390-I392 PolarHBondContact OD1-N 3.27Å; D390-I392 VanDerWaalsContact OD1-N 3.1Å; D390-Y393 PolarHBondContact OD1-N 3.32Å; D390-Q413 PolarHBondContact N-O 2.79Å
391	P	96	Very high	94.5	Very high	56 Å²	56	58 Å²	58	36%	0.364	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-15.8	-177.6	31	-35.3	0	0	0	113.8	I389 V501	I389-P391 WeakPolarHBondContact O-CD 3.1Å; P391-V501 HydrophobicContact CG-CG2 3.65Å
392	I	95.3	Very high	94.5	Very high	92 Å²	92	64 Å²	64	47%	0.472	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	2.1	-177.5	68.2	169.1	0	0	0	112.8	H108 D390 V501	H108-I392 HydrophobicContact CB-CD1 3.76Å; H108-I392 HydrophobicContact CB-CG1 3.81Å; D390-I392 VanDerWaalsContact C-N 3.3Å; D390-I392 PolarHBondContact O-N 2.8Å; D390-I392 WeakPolarHBondContact OD1-CG1 3.41Å; D390-I392 PolarHBondContact OD1-N 3.27Å; D390-I392 VanDerWaalsContact OD1-N 3.1Å; I392-V501 HydrophobicContact CD1-CB 4.29Å; I392-V501 HydrophobicContact CD1-CG1 3.65Å; I392-V501 HydrophobicContact CG1-CG1 4.2Å
393	Y	92.5	Very high	94.3	Very high	75 Å²	75	65.4 Å²	65.4	29%	0.294	32%	0.322	S	S	.	.	S	Bend	trans	-62	168.1	165	-157.9	-103.9	0	0	0	111.7	D390 K395 Q413 V427	D390-Y393 PolarHBondContact OD1-N 3.32Å; Y393-K395 PolarHBondContact O-N 3.38Å; Y393-K395 VanDerWaalsContact O-N 3.09Å; Y393-Q413 HydrophobicContact CD1-CB 4.14Å; Y393-Q413 HydrophobicContact CD1-CG 4.31Å; Y393-Q413 HydrophobicContact CG-CB 4.32Å; Y393-V427 HydrophobicContact CE1-CB 4.31Å; Y393-V427 HydrophobicContact CE1-CG1 4.41Å
394	I	88.3	Confident	94.3	Very high	122 Å²	122	59.3 Å²	59.3	63%	0.626	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-58.5	117.3	175.6	-58.6	171.9	0	0	0	109.4
395	K	87.9	Confident	94.2	Very high	139 Å²	139	63.5 Å²	63.5	60%	0.604	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-67.3	137.8	-179.2	-67.8	-175.9	-179.5	177.9	0	111.5	Y393 K397 A411	Y393-K395 PolarHBondContact O-N 3.38Å; Y393-K395 VanDerWaalsContact O-N 3.09Å; K395-K397 PolarHBondContact O-N 2.79Å; K395-A411 WeakPolarHBondContact CA-O 3.12Å; K395-A411 HydrophobicContact CB-CB 4.31Å
396	A	87.3	Confident	94.2	Very high	7 Å²	7	66 Å²	66	6%	0.058	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-67.9	130.9	173.4	0	0	0	0	0	111	N398 G399 A411 V427	A396-N398 PolarHBondContact O-N 3.15Å; A396-G399 PolarHBondContact O-N 3.46Å; A396-A411 PolarHBondContact N-O 2.88Å; A396-A411 VanDerWaalsContact N-O 3.13Å; A396-V427 HydrophobicContact CB-CG2 3.88Å
397	K	86.8	Confident	94.1	Very high	193 Å²	193	69 Å²	69	84%	0.839	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-42.3	-173.5	-69.8	-171.8	176.7	-171.9	0	114.2	K395	K395-K397 PolarHBondContact O-N 2.79Å
398	N	88	Confident	94.1	Very high	100 Å²	100	69.5 Å²	69.5	54%	0.535	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	19.7	179.4	-44.1	-15.3	0	0	0	111.7	A396 R457 G458	A396-N398 PolarHBondContact O-N 3.15Å; N398-R457 PolarHBondContact ND2-O 3.13Å; N398-G458 VanDerWaalsContact CB-O 3.27Å; N398-G458 WeakPolarHBondContact CB-O 3.17Å
399	G	92.4	Very high	94	Very high	16 Å²	16	71.1 Å²	71.1	17%	0.165	36%	0.358	C	S	.	.			trans	-73.4	140.3	170.8	0	0	0	0	0	111	A396 T410	A396-G399 PolarHBondContact O-N 3.46Å; G399-T410 WeakPolarHBondContact CA-OG1 3.35Å
400	S	95.6	Very high	94	Very high	44 Å²	44	71 Å²	71	31%	0.308	36%	0.357	S	S	.	.			trans	-161.4	165.3	179.5	64.3	0	0	0	0	112.1	K402 A403 G404 N409 T410	S400-K402 VanDerWaalsContact C-N 3.3Å; S400-K402 PolarHBondContact O-N 2.53Å; S400-A403 PolarHBondContact O-N 2.81Å; S400-A403 WeakPolarHBondContact OG-CB 3.45Å; S400-A403 PolarHBondContact OG-N 3.49Å; S400-G404 PolarHBondContact O-N 3.21Å; S400-N409 WeakPolarHBondContact CA-OD1 3.25Å; S400-T410 PolarHBondContact N-OG1 3.01Å; S400-T410 VanDerWaalsContact N-OG1 3.1Å; S400-T410 PolarHBondContact O-N 3Å; S400-T410 PolarHBondContact O-OG1 3.37Å
401	W	97.2	Very high	93.9	Very high	149 Å²	149	71.1 Å²	71.1	56%	0.564	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-39.2	168	-70.3	101.7	0	0	0	112.2	A403 G404 Y405 G406 N409	W401-A403 VanDerWaalsContact C-N 3.34Å; W401-A403 PolarHBondContact O-N 3Å; W401-G404 CarbonylContact O-C 3.48Å; W401-G404 VanDerWaalsContact O-C 3.3Å; W401-G404 PolarHBondContact O-N 3.45Å; W401-G404 VanDerWaalsContact O-N 3.11Å; W401-Y405 PolarHBondContact O-N 3.28Å; W401-G406 WeakPolarHBondContact O-CA 3.43Å; W401-G406 PolarHBondContact O-N 3.34Å; W401-N409 HydrophobicContact CD2-CB 4.02Å; W401-N409 HydrophobicContact CG-CB 4.37Å; W401-N409 HydrophobicContact CZ2-CB 4.11Å
402	K	95.3	Very high	93.9	Very high	190 Å²	190	69.6 Å²	69.6	83%	0.826	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-43.8	177.5	-175.4	178.1	179.1	179.4	0	111.5	S400 G404 Y405	S400-K402 VanDerWaalsContact C-N 3.3Å; S400-K402 PolarHBondContact O-N 2.53Å; K402-G404 PolarHBondContact O-N 2.89Å; K402-Y405 PolarHBondContact O-N 2.95Å; K402-Y405 VanDerWaalsContact O-N 3.08Å
403	A	92.9	Very high	94.1	Very high	35 Å²	35	65.4 Å²	65.4	29%	0.289	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-28.5	176.5	0	0	0	0	0	112.8	S400 W401 Y405 T410	S400-A403 PolarHBondContact O-N 2.81Å; S400-A403 WeakPolarHBondContact OG-CB 3.45Å; S400-A403 PolarHBondContact OG-N 3.49Å; W401-A403 VanDerWaalsContact C-N 3.34Å; W401-A403 PolarHBondContact O-N 3Å; A403-Y405 VanDerWaalsContact C-N 3.33Å; A403-T410 HydrophobicContact CB-CG2 4.22Å; A403-T410 WeakPolarHBondContact CB-OG1 3.38Å
404	G	95.6	Very high	94.3	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	23.7	171.8	0	0	0	0	0	114.2	S400 W401 K402 G406 L407 W408	S400-G404 PolarHBondContact O-N 3.21Å; W401-G404 CarbonylContact O-C 3.48Å; W401-G404 VanDerWaalsContact O-C 3.3Å; W401-G404 PolarHBondContact O-N 3.45Å; W401-G404 VanDerWaalsContact O-N 3.11Å; K402-G404 PolarHBondContact O-N 2.89Å; G404-G406 PolarHBondContact O-N 3.02Å; G404-L407 WeakPolarHBondContact O-CB 3.47Å; G404-L407 PolarHBondContact O-N 2.77Å; G404-W408 WeakPolarHBondContact CA-O 3.09Å; G404-W408 PolarHBondContact O-N 3.16Å
405	Y	96.6	Very high	94.8	Very high	101 Å²	101	56.1 Å²	56.1	40%	0.396	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	28.3	176.6	-52.6	-84.5	0	0	0	114.7	W401 K402 A403 L407 P481 V484 K485 L488	W401-Y405 PolarHBondContact O-N 3.28Å; K402-Y405 PolarHBondContact O-N 2.95Å; K402-Y405 VanDerWaalsContact O-N 3.08Å; A403-Y405 VanDerWaalsContact C-N 3.33Å; Y405-L407 PolarHBondContact O-N 2.85Å; Y405-P481 WeakPolarHBondContact OH-CB 3.13Å; Y405-V484 HydrophobicContact CE2-CG1 3.96Å; Y405-K485 HydrophobicContact CD1-CD 4.37Å; Y405-K485 HydrophobicContact CD1-CG 4.31Å; Y405-K485 HydrophobicContact CD2-CG 3.63Å; Y405-K485 VanDerWaalsContact CE1-CE 3.46Å; Y405-K485 HydrophobicContact CE2-CG 3.93Å; Y405-K485 HydrophobicContact CG-CD 4.3Å; Y405-K485 HydrophobicContact CG-CG 3.83Å; Y405-L488 HydrophobicContact CD2-CD1 4Å; Y405-L488 HydrophobicContact CE2-CD1 4.46Å
406	G	97	Very high	95.4	Very high	53 Å²	53	49.5 Å²	49.5	55%	0.546	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	-2.5	-174.3	0	0	0	0	0	114.5	W401 G404	W401-G406 WeakPolarHBondContact O-CA 3.43Å; W401-G406 PolarHBondContact O-N 3.34Å; G404-G406 PolarHBondContact O-N 3.02Å
407	L	97.3	Very high	95.9	Very high	64 Å²	64	49.3 Å²	49.3	34%	0.335	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-38.3	-176.7	-59	169.9	0	0	0	112.3	G404 Y405 K485 M489 V492	G404-L407 WeakPolarHBondContact O-CB 3.47Å; G404-L407 PolarHBondContact O-N 2.77Å; Y405-L407 PolarHBondContact O-N 2.85Å; L407-K485 HydrophobicContact CD1-CB 4.48Å; L407-M489 HydrophobicContact CD1-CG 3.86Å; L407-M489 HydrophobicContact CD2-CG 4.44Å; L407-V492 WeakPolarHBondContact O-CG2 3.41Å
408	W	98	Very high	96.4	Very high	12 Å²	12	42.2 Å²	42.2	5%	0.045	23%	0.225	C	C	.	.			trans	-144.2	143.4	-172.3	-176.8	-104.2	0	0	0	110.9	I389 G404 T410 V412 A414 T425 L488 L491 V492 N495	I389-W408 HydrophobicContact CD1-CH2 4.01Å; I389-W408 HydrophobicContact CG1-CH2 4.5Å; I389-W408 HydrophobicContact CG2-CH2 3.74Å; I389-W408 HydrophobicContact CG2-CZ2 4Å; G404-W408 WeakPolarHBondContact CA-O 3.09Å; G404-W408 PolarHBondContact O-N 3.16Å; W408-T410 PolarHBondContact O-N 3.11Å; W408-V412 HydrophobicContact CZ2-CB 4.1Å; W408-V412 HydrophobicContact CZ2-CG1 3.85Å; W408-A414 HydrophobicContact CZ2-CB 4.22Å; W408-T425 PolarHBondContact NE1-OG1 3.36Å; W408-L488 HydrophobicContact CB-CB 4.39Å; W408-L488 HydrophobicContact CB-CD2 3.84Å; W408-L488 HydrophobicContact CG-CD2 3.96Å; W408-L491 HydrophobicContact CD2-CD2 3.77Å; W408-L491 HydrophobicContact CD2-CG 4.22Å; W408-L491 HydrophobicContact CE3-CD2 4.31Å; W408-L491 HydrophobicContact CE3-CG 4.25Å; W408-L491 HydrophobicContact CG-CD2 4.23Å; W408-L491 HydrophobicContact CH2-CD2 4.2Å; W408-L491 HydrophobicContact CH2-CG 4.01Å; W408-L491 HydrophobicContact CZ2-CD2 3.63Å; W408-L491 HydrophobicContact CZ2-CG 3.95Å; W408-L491 HydrophobicContact CZ3-CG 4.15Å; W408-V492 HydrophobicContact CE3-CG2 3.87Å; W408-N495 HydrophobicContact CH2-CB 4Å; W408-N495 HydrophobicContact CZ3-CB 3.62Å
409	N	97.6	Very high	96.8	Very high	39 Å²	39	39.3 Å²	39.3	21%	0.209	22%	0.219	C	C	.	.			trans	-82.1	102.5	170.3	-173.9	-3.5	0	0	0	110.2	S400 W401 A411 V412	S400-N409 WeakPolarHBondContact CA-OD1 3.25Å; W401-N409 HydrophobicContact CD2-CB 4.02Å; W401-N409 HydrophobicContact CG-CB 4.37Å; W401-N409 HydrophobicContact CZ2-CB 4.11Å; N409-A411 PolarHBondContact O-N 2.87Å; N409-A411 VanDerWaalsContact OD1-CB 3.26Å; N409-A411 WeakPolarHBondContact OD1-CB 3.47Å; N409-A411 PolarHBondContact OD1-N 3.07Å; N409-A411 VanDerWaalsContact OD1-N 3.1Å; N409-V412 HydrophobicContact CB-CG2 4.46Å; N409-V412 PolarHBondContact O-N 2.7Å; N409-V412 VanDerWaalsContact O-N 3.08Å
410	T	97.4	Very high	97	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-2.9	-178.4	65.4	0	0	0	0	114.1	G399 S400 A403 W408 V412 T425 G426 S460 I461	G399-T410 WeakPolarHBondContact CA-OG1 3.35Å; S400-T410 PolarHBondContact N-OG1 3.01Å; S400-T410 VanDerWaalsContact N-OG1 3.1Å; S400-T410 PolarHBondContact O-N 3Å; S400-T410 PolarHBondContact O-OG1 3.37Å; A403-T410 HydrophobicContact CB-CG2 4.22Å; A403-T410 WeakPolarHBondContact CB-OG1 3.38Å; W408-T410 PolarHBondContact O-N 3.11Å; T410-V412 VanDerWaalsContact C-N 3.27Å; T410-T425 HydrophobicContact CG2-CG2 4.42Å; T410-G426 WeakPolarHBondContact O-CA 3.2Å; T410-G426 PolarHBondContact O-N 3.12Å; T410-S460 WeakPolarHBondContact O-CB 3.43Å; T410-S460 PolarHBondContact OG1-OG 3.27Å; T410-I461 HydrophobicContact CG2-CD1 4.09Å
411	A	96.6	Very high	97.1	Very high	7 Å²	7	44.1 Å²	44.1	6%	0.058	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-24.1	170.1	0	0	0	0	0	113.3	K395 A396 N409	K395-A411 WeakPolarHBondContact CA-O 3.12Å; K395-A411 HydrophobicContact CB-CB 4.31Å; A396-A411 PolarHBondContact N-O 2.88Å; A396-A411 VanDerWaalsContact N-O 3.13Å; N409-A411 PolarHBondContact O-N 2.87Å; N409-A411 VanDerWaalsContact OD1-CB 3.26Å; N409-A411 WeakPolarHBondContact OD1-CB 3.47Å; N409-A411 PolarHBondContact OD1-N 3.07Å; N409-A411 VanDerWaalsContact OD1-N 3.1Å
412	V	97.5	Very high	97.2	Very high	23 Å²	23	37 Å²	37	14%	0.139	20%	0.203	C	C	.	.	S	Bend	trans	-75.3	132.2	-179.6	175	0	0	0	0	110.3	I389 W408 N409 T410 A414 T425 G426	I389-V412 HydrophobicContact CG2-CG1 3.96Å; W408-V412 HydrophobicContact CZ2-CB 4.1Å; W408-V412 HydrophobicContact CZ2-CG1 3.85Å; N409-V412 HydrophobicContact CB-CG2 4.46Å; N409-V412 PolarHBondContact O-N 2.7Å; N409-V412 VanDerWaalsContact O-N 3.08Å; T410-V412 VanDerWaalsContact C-N 3.27Å; V412-A414 PolarHBondContact O-N 2.9Å; V412-T425 CarbonylContact O-C 3.53Å; V412-T425 VanDerWaalsContact O-C 3.26Å; V412-T425 PolarHBondContact O-OG1 2.82Å; V412-G426 WeakPolarHBondContact O-CA 3.26Å; V412-G426 PolarHBondContact O-N 3.29Å
413	Q	97.6	Very high	97.4	Very high	5 Å²	5	28.1 Å²	28.1	2%	0.023	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	118.4	175.2	-172.2	-169.8	50.6	0	0	109.1	Y315 D390 Y393 T425 V427	Y315-Q413 HydrophobicContact CD2-CG 4.03Å; Y315-Q413 HydrophobicContact CE2-CG 3.63Å; Y315-Q413 PolarHBondContact OH-OE1 3.42Å; D390-Q413 PolarHBondContact N-O 2.79Å; Y393-Q413 HydrophobicContact CD1-CB 4.14Å; Y393-Q413 HydrophobicContact CD1-CG 4.31Å; Y393-Q413 HydrophobicContact CG-CB 4.32Å; Q413-T425 WeakPolarHBondContact CA-O 3.36Å; Q413-V427 WeakPolarHBondContact CG-O 3.13Å; Q413-V427 PolarHBondContact NE2-O 2.89Å
414	A	98.6	Very high	97.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	155.6	175.9	0	0	0	0	0	111.1	N388 I389 W408 V412 L424 T425 L491	N388-A414 VanDerWaalsContact O-CA 3.25Å; N388-A414 WeakPolarHBondContact O-CA 3.38Å; I389-A414 HydrophobicContact CG1-CB 4.3Å; W408-A414 HydrophobicContact CZ2-CB 4.22Å; V412-A414 PolarHBondContact O-N 2.9Å; A414-L424 WeakPolarHBondContact O-CA 3.29Å; A414-T425 PolarHBondContact N-O 3.45Å; A414-T425 PolarHBondContact O-N 2.9Å; A414-L491 HydrophobicContact CB-CD1 4.07Å; A414-L491 HydrophobicContact CB-CD2 3.81Å
415	A	98.7	Very high	97.7	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.008	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	143.4	168.5	0	0	0	0	0	111.5	Y315 H387 N388 L423 L424	Y315-A415 HydrophobicContact CD2-CB 3.53Å; Y315-A415 HydrophobicContact CE2-CB 4.48Å; Y315-A415 HydrophobicContact CG-CB 3.97Å; H387-A415 HydrophobicContact CB-CB 3.94Å; H387-A415 WeakPolarHBondContact CB-O 3.35Å; H387-A415 PolarHBondContact N-O 2.88Å; N388-A415 PolarHBondContact O-N 2.82Å; A415-L423 VanDerWaalsContact CA-O 3.29Å; A415-L423 WeakPolarHBondContact CA-O 3.38Å; A415-L424 HydrophobicContact CB-CD2 4.36Å; A415-L424 HydrophobicContact CB-CG 4.23Å
416	L	98.8	Very high	97.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	134.2	-174.2	173.6	72.2	0	0	0	109.3	I385 L386 V418 K422 L423 M487 R490 L491 Y494	I385-L416 WeakPolarHBondContact O-CD1 3.17Å; L386-L416 HydrophobicContact CD1-CD1 4.47Å; L416-V418 HydrophobicContact CD1-CG2 4.09Å; L416-V418 HydrophobicContact CD2-CG2 3.86Å; L416-V418 HydrophobicContact CG-CG2 3.83Å; L416-K422 CarbonylContact O-C 3.32Å; L416-K422 VanDerWaalsContact O-CA 3.31Å; L416-K422 WeakPolarHBondContact O-CA 3.42Å; L416-L423 PolarHBondContact N-O 3.34Å; L416-L423 PolarHBondContact O-N 3.07Å; L416-M487 HydrophobicContact CD2-CB 4.3Å; L416-M487 HydrophobicContact CD2-CE 4.29Å; L416-M487 VanDerWaalsContact CD2-O 3.29Å; L416-M487 WeakPolarHBondContact CD2-O 3.3Å; L416-M487 HydrophobicContact CG-CE 4.27Å; L416-M487 WeakPolarHBondContact O-CE 3.38Å; L416-R490 HydrophobicContact CD1-CG 4.37Å; L416-R490 HydrophobicContact CD2-CB 3.9Å; L416-R490 HydrophobicContact CD2-CG 3.95Å; L416-L491 HydrophobicContact CB-CD1 4.46Å; L416-L491 HydrophobicContact CD2-CB 4.4Å; L416-Y494 HydrophobicContact CD1-CD2 4.06Å; L416-Y494 HydrophobicContact CD1-CE2 3.63Å
417	R	98.5	Very high	97.6	Very high	3 Å²	3	21.5 Å²	21.5	1%	0.011	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.8	171.3	175.7	61.6	-178	-84.6	-4.7	109.2	Y83 L341 D384 I385 G419 W421	Y83-R417 PolarHBondContact OH-NH1 2.95Å; L341-R417 HydrophobicContact CD1-CG 4.28Å; L341-R417 HydrophobicContact CD2-CG 4.3Å; D384-R417 CarbonylContact C-O 3.57Å; D384-R417 WeakPolarHBondContact CA-O 3.41Å; D384-R417 WeakPolarHBondContact CB-O 3.38Å; I385-R417 HydrophobicContact CB-CB 4.28Å; I385-R417 PolarHBondContact N-O 3.25Å; I385-R417 PolarHBondContact O-N 2.88Å; R417-G419 PolarHBondContact NE-O 2.59Å; R417-G419 PolarHBondContact NH2-O 3.28Å; R417-W421 CarbonylContact C-O 3.57Å; R417-W421 WeakPolarHBondContact CA-O 3.28Å; R417-W421 WeakPolarHBondContact CD-O 3.38Å
418	V	98.1	Very high	97.5	Very high	45 Å²	45	18.7 Å²	18.7	27%	0.273	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	113.2	174.5	-175.3	0	0	0	0	108.8	D384 L416 H420 W421 M487 R490	D384-V418 HydrophobicContact CB-CB 4.29Å; D384-V418 HydrophobicContact CB-CG1 4.32Å; D384-V418 HydrophobicContact CB-CG2 3.87Å; L416-V418 HydrophobicContact CD1-CG2 4.09Å; L416-V418 HydrophobicContact CD2-CG2 3.86Å; L416-V418 HydrophobicContact CG-CG2 3.83Å; V418-H420 PolarHBondContact O-N 2.97Å; V418-H420 VanDerWaalsContact O-N 3.12Å; V418-W421 PolarHBondContact N-O 3.11Å; V418-W421 PolarHBondContact O-N 2.8Å; V418-M487 HydrophobicContact CB-CE 4.28Å; V418-M487 HydrophobicContact CG2-CE 4.11Å; V418-R490 HydrophobicContact CG2-CG 4.31Å
419	G	95.1	Very high	97.2	Very high	39 Å²	39	18.9 Å²	18.9	40%	0.402	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	-115.1	-175.1	0	0	0	0	0	112	L383 R417	L383-G419 PolarHBondContact O-N 2.99Å; R417-G419 PolarHBondContact NE-O 2.59Å; R417-G419 PolarHBondContact NH2-O 3.28Å
420	H	96.8	Very high	96.8	Very high	104 Å²	104	20.1 Å²	20.1	48%	0.481	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-16.4	177.9	-55.4	-63.1	0	0	0	113.9	V418 N465 I466 T467	V418-H420 PolarHBondContact O-N 2.97Å; V418-H420 VanDerWaalsContact O-N 3.12Å; H420-N465 CarbonylContact O-C 3.5Å; H420-N465 WeakPolarHBondContact O-CA 3.35Å; H420-I466 PolarHBondContact O-N 2.89Å; H420-T467 WeakPolarHBondContact ND1-CB 3.34Å; H420-T467 PolarHBondContact ND1-OG1 3.03Å
421	W	98.6	Very high	96.3	Very high	57 Å²	57	21.3 Å²	21.3	22%	0.216	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	135.5	-166.6	-60.6	100.5	0	0	0	112.3	R417 V418 L463 F464 N465 L476 Y480 I483 M487	R417-W421 CarbonylContact C-O 3.57Å; R417-W421 WeakPolarHBondContact CA-O 3.28Å; R417-W421 WeakPolarHBondContact CD-O 3.38Å; V418-W421 PolarHBondContact N-O 3.11Å; V418-W421 PolarHBondContact O-N 2.8Å; W421-L463 HydrophobicContact CB-CD1 4.29Å; W421-L463 HydrophobicContact CE3-CD1 3.99Å; W421-L463 HydrophobicContact CE3-CD2 4.02Å; W421-L463 HydrophobicContact CE3-CG 3.89Å; W421-L463 HydrophobicContact CZ3-CD2 4.09Å; W421-L463 HydrophobicContact CZ3-CG 4.25Å; W421-F464 CarbonylContact C-O 3.58Å; W421-F464 WeakPolarHBondContact CA-O 3.46Å; W421-N465 HydrophobicContact CE3-CB 4.08Å; W421-N465 HydrophobicContact CH2-CB 4.22Å; W421-N465 HydrophobicContact CZ3-CB 3.86Å; W421-L476 HydrophobicContact CH2-CD1 4.3Å; W421-L476 HydrophobicContact CZ3-CD1 3.8Å; W421-Y480 HydrophobicContact CH2-CD2 4.37Å; W421-Y480 HydrophobicContact CH2-CE2 4.47Å; W421-Y480 HydrophobicContact CH2-CG 4.45Å; W421-I483 HydrophobicContact CB-CG2 4.4Å; W421-I483 HydrophobicContact CD2-CD1 4.18Å; W421-I483 HydrophobicContact CD2-CG2 3.92Å; W421-I483 HydrophobicContact CE3-CG2 4.25Å; W421-I483 HydrophobicContact CG-CG2 3.96Å; W421-I483 HydrophobicContact CH2-CD1 3.75Å; W421-I483 HydrophobicContact CZ2-CD1 3.35Å; W421-I483 HydrophobicContact CZ3-CD1 4.31Å; W421-M487 HydrophobicContact CB-CE 4.02Å; W421-M487 HydrophobicContact CB-SD 3.55Å; W421-M487 VanDerWaalsContact CB-SD 3.55Å; W421-M487 VanDerWaalsContact O-CE 3.22Å; W421-M487 WeakPolarHBondContact O-CE 3.49Å
422	K	98.8	Very high	96	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127.5	170.8	-175	-175.9	-179.2	-173.1	0	110.2	Y315 E317 L416 L424 L463 F464 I466 E472	Y315-K422 VanDerWaalsContact O-CE 3.26Å; Y315-K422 WeakPolarHBondContact O-CE 3.33Å; Y315-K422 PolarHBondContact O-NZ 2.76Å; E317-K422 WeakPolarHBondContact OE1-CD 3.41Å; E317-K422 WeakPolarHBondContact OE1-CE 3.4Å; E317-K422 IonicContact OE1-NZ 2.99Å; E317-K422 PolarHBondContact OE1-NZ 3.47Å; L416-K422 CarbonylContact O-C 3.32Å; L416-K422 VanDerWaalsContact O-CA 3.31Å; L416-K422 WeakPolarHBondContact O-CA 3.42Å; K422-L424 HydrophobicContact CD-CD1 4.34Å; K422-L424 HydrophobicContact CG-CD1 4.27Å; K422-L463 CarbonylContact O-C 3.26Å; K422-L463 WeakPolarHBondContact O-CA 3.5Å; K422-F464 PolarHBondContact N-O 3.29Å; K422-F464 PolarHBondContact O-N 3.11Å; K422-I466 HydrophobicContact CB-CD1 3.88Å; K422-I466 HydrophobicContact CB-CG1 3.39Å; K422-I466 HydrophobicContact CD-CD1 3.81Å; K422-I466 HydrophobicContact CD-CG1 3.97Å; K422-I466 HydrophobicContact CG-CG1 4.34Å; K422-E472 WeakPolarHBondContact CD-OE1 3.19Å; K422-E472 WeakPolarHBondContact CE-OE1 3.38Å; K422-E472 IonicContact NZ-OE1 3.8Å; K422-E472 PolarHBondContact NZ-OE1 2.88Å
423	L	98.8	Very high	95.8	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.01	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.5	175	-176	82.4	0	0	0	108.8	A415 L416 T425 I461 W462 L463 V484 M487 L488	A415-L423 VanDerWaalsContact CA-O 3.29Å; A415-L423 WeakPolarHBondContact CA-O 3.38Å; L416-L423 PolarHBondContact N-O 3.34Å; L416-L423 PolarHBondContact O-N 3.07Å; L423-T425 HydrophobicContact CD2-CG2 4.3Å; L423-I461 HydrophobicContact CD1-CD1 4.25Å; L423-I461 HydrophobicContact CD1-CG1 4.02Å; L423-W462 WeakPolarHBondContact CA-O 3.3Å; L423-W462 WeakPolarHBondContact CD1-O 3.49Å; L423-L463 HydrophobicContact CD1-CD1 4.45Å; L423-V484 HydrophobicContact CD1-CG1 4.15Å; L423-M487 HydrophobicContact CB-CB 3.99Å; L423-M487 HydrophobicContact CB-CE 3.58Å; L423-M487 HydrophobicContact CB-SD 3.76Å; L423-M487 HydrophobicContact CD1-CB 4.4Å; L423-M487 HydrophobicContact CD2-CB 3.81Å; L423-M487 HydrophobicContact CG-CB 4.29Å; L423-L488 HydrophobicContact CD2-CD2 3.62Å; L423-L488 HydrophobicContact CD2-CG 4.04Å
424	L	98.4	Very high	95.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.6	166.7	-53	96.5	0	0	0	109.9	Y315 W316 A414 A415 K422 P428 I461 W462 F464	Y315-L424 WeakPolarHBondContact O-CD2 3.36Å; W316-L424 HydrophobicContact CD2-CD2 4.42Å; W316-L424 HydrophobicContact CE3-CD2 4.05Å; W316-L424 HydrophobicContact CZ3-CD1 4.18Å; W316-L424 HydrophobicContact CZ3-CD2 4.22Å; A414-L424 WeakPolarHBondContact O-CA 3.29Å; A415-L424 HydrophobicContact CB-CD2 4.36Å; A415-L424 HydrophobicContact CB-CG 4.23Å; K422-L424 HydrophobicContact CD-CD1 4.34Å; K422-L424 HydrophobicContact CG-CD1 4.27Å; L424-P428 HydrophobicContact CB-CG 3.93Å; L424-P428 HydrophobicContact CD2-CB 3.71Å; L424-P428 HydrophobicContact CD2-CG 3.98Å; L424-I461 WeakPolarHBondContact O-CA 3.1Å; L424-W462 HydrophobicContact CB-CB 4.41Å; L424-W462 HydrophobicContact CB-CE3 4.15Å; L424-W462 HydrophobicContact CD1-CB 4.1Å; L424-W462 PolarHBondContact N-O 3.19Å; L424-W462 PolarHBondContact O-N 2.8Å; L424-F464 HydrophobicContact CD1-CD2 3.72Å; L424-F464 HydrophobicContact CD1-CE2 3.67Å
425	T	98.1	Very high	94.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	165	169.6	67.9	0	0	0	0	111.8	W408 T410 V412 Q413 A414 L423 S460 I461 L488	W408-T425 PolarHBondContact NE1-OG1 3.36Å; T410-T425 HydrophobicContact CG2-CG2 4.42Å; V412-T425 CarbonylContact O-C 3.53Å; V412-T425 VanDerWaalsContact O-C 3.26Å; V412-T425 PolarHBondContact O-OG1 2.82Å; Q413-T425 WeakPolarHBondContact CA-O 3.36Å; A414-T425 PolarHBondContact N-O 3.45Å; A414-T425 PolarHBondContact O-N 2.9Å; L423-T425 HydrophobicContact CD2-CG2 4.3Å; T425-S460 CarbonylContact C-O 3.56Å; T425-S460 WeakPolarHBondContact CA-O 3.42Å; T425-I461 HydrophobicContact CG2-CD1 4.4Å; T425-I461 HydrophobicContact CG2-CG1 4.29Å; T425-L488 HydrophobicContact CG2-CD2 3.92Å
426	G	96.3	Very high	93.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	74.5	-138.3	177.3	0	0	0	0	0	112.3	T410 V412 P428 S460 W462	T410-G426 WeakPolarHBondContact O-CA 3.2Å; T410-G426 PolarHBondContact O-N 3.12Å; V412-G426 WeakPolarHBondContact O-CA 3.26Å; V412-G426 PolarHBondContact O-N 3.29Å; G426-P428 WeakPolarHBondContact O-CD 3.47Å; G426-S460 PolarHBondContact N-O 3.2Å; G426-W462 VanDerWaalsContact O-CZ3 3.31Å; G426-W462 WeakPolarHBondContact O-CZ3 3.12Å
427	V	94.6	Very high	92.5	Very high	51 Å²	51	23 Å²	23	31%	0.309	13%	0.132	S	C	.	.			trans	-108.2	96.6	176.1	-179.1	0	0	0	0	108.2	Y393 A396 Q413 G429	Y393-V427 HydrophobicContact CE1-CB 4.31Å; Y393-V427 HydrophobicContact CE1-CG1 4.41Å; A396-V427 HydrophobicContact CB-CG2 3.88Å; Q413-V427 WeakPolarHBondContact CG-O 3.13Å; Q413-V427 PolarHBondContact NE2-O 2.89Å; V427-G429 PolarHBondContact O-N 2.85Å
428	P	94.3	Very high	90.7	Very high	4 Å²	4	24.7 Å²	24.7	3%	0.026	14%	0.142	C	C	.	.			trans	-65.5	-10.4	-174	-24.8	36.2	0	0	0	115.1	T314 Y315 W316 L424 G426 W462	T314-P428 CarbonylContact C-O 3.5Å; T314-P428 VanDerWaalsContact CA-O 3.29Å; T314-P428 WeakPolarHBondContact CA-O 3.4Å; Y315-P428 PolarHBondContact N-O 3.48Å; W316-P428 HydrophobicContact CD2-CB 4.39Å; W316-P428 HydrophobicContact CH2-CG 4.33Å; W316-P428 HydrophobicContact CZ2-CB 3.84Å; W316-P428 HydrophobicContact CZ2-CG 3.93Å; L424-P428 HydrophobicContact CB-CG 3.93Å; L424-P428 HydrophobicContact CD2-CB 3.71Å; L424-P428 HydrophobicContact CD2-CG 3.98Å; G426-P428 WeakPolarHBondContact O-CD 3.47Å; P428-W462 HydrophobicContact CG-CE3 3.85Å; P428-W462 HydrophobicContact CG-CH2 4.04Å; P428-W462 HydrophobicContact CG-CZ3 3.59Å
429	G	92.1	Very high	88.7	Confident	17 Å²	17	29.8 Å²	29.8	18%	0.175	16%	0.161	C	C	.	.			trans	106.2	-173.1	-174.9	0	0	0	0	0	112.3	W316 V427 S431	W316-G429 PolarHBondContact NE1-O 3.15Å; W316-G429 VanDerWaalsContact NE1-O 3.16Å; V427-G429 PolarHBondContact O-N 2.85Å; G429-S431 PolarHBondContact O-N 3.18Å
430	Y	89	Confident	86.8	Confident	64 Å²	64	28.6 Å²	28.6	25%	0.251	15%	0.146	S	C	.	.			trans	-55.7	124.9	-178	-178.6	-111	0	0	0	112.1	G310 T314 W316 D432 V434 N450	G310-Y430 WeakPolarHBondContact CA-O 3.43Å; T314-Y430 WeakPolarHBondContact CG2-O 3.49Å; W316-Y430 PolarHBondContact NE1-O 3.19Å; Y430-D432 HydrophobicContact CE1-CB 3.85Å; Y430-D432 HydrophobicContact CE2-CB 4.25Å; Y430-D432 WeakPolarHBondContact CE2-OD2 3.28Å; Y430-D432 VanDerWaalsContact OH-CB 3.31Å; Y430-D432 WeakPolarHBondContact OH-CB 3.05Å; Y430-D432 VanDerWaalsContact OH-CG 3.22Å; Y430-D432 PolarHBondContact OH-OD2 2.74Å; Y430-V434 HydrophobicContact CE1-CG2 4.13Å; Y430-N450 PolarHBondContact OH-ND2 3.2Å
431	S	88.2	Confident	84.4	Confident	26 Å²	26	30.7 Å²	30.7	18%	0.182	16%	0.161	C	C	.	.			trans	-114.4	10.8	-160	71.6	0	0	0	0	115.9	R309 G429	R309-S431 WeakPolarHBondContact CG-O 3.3Å; R309-S431 PolarHBondContact NE-O 3.24Å; R309-S431 PolarHBondContact NH2-O 3.04Å; G429-S431 PolarHBondContact O-N 3.18Å
432	D	89.6	Confident	81.9	Confident	16 Å²	16	34 Å²	34	9%	0.086	18%	0.179	C	C	.	.			trans	-85.9	157.4	-178.1	-59.6	-17.4	0	0	0	110.7	G310 Y430 N450 R452	G310-D432 PolarHBondContact N-O 2.89Å; Y430-D432 HydrophobicContact CE1-CB 3.85Å; Y430-D432 HydrophobicContact CE2-CB 4.25Å; Y430-D432 WeakPolarHBondContact CE2-OD2 3.28Å; Y430-D432 VanDerWaalsContact OH-CB 3.31Å; Y430-D432 WeakPolarHBondContact OH-CB 3.05Å; Y430-D432 VanDerWaalsContact OH-CG 3.22Å; Y430-D432 PolarHBondContact OH-OD2 2.74Å; D432-N450 HydrophobicContact CB-CB 3.84Å; D432-R452 IonicContact OD2-NE 3.98Å
433	W	92.3	Very high	79.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-90.5	121.5	165.2	-64.3	-105.8	0	0	0	108.1	W306 R309 P435 N450 E451 V453 Y471 E472 R473	W306-W433 HydrophobicContact CE3-CB 4.15Å; W306-W433 HydrophobicContact CZ3-CB 3.69Å; R309-W433 HydrophobicContact CB-CD2 4.13Å; R309-W433 HydrophobicContact CB-CG 4.41Å; R309-W433 HydrophobicContact CB-CZ2 3.93Å; R309-W433 VanDerWaalsContact CD-CH2 3.41Å; R309-W433 HydrophobicContact CG-CD2 3.84Å; R309-W433 HydrophobicContact CG-CE3 4.08Å; R309-W433 HydrophobicContact CG-CG 4.45Å; R309-W433 HydrophobicContact CG-CH2 3.99Å; R309-W433 HydrophobicContact CG-CZ2 3.73Å; R309-W433 HydrophobicContact CG-CZ3 4.12Å; R309-W433 VanDerWaalsContact CZ-CH2 3.5Å; R309-W433 VanDerWaalsContact NE-CH2 3.28Å; W433-P435 WeakPolarHBondContact O-CD 3.32Å; W433-N450 WeakPolarHBondContact O-CA 3.34Å; W433-E451 HydrophobicContact CB-CB 4.2Å; W433-E451 PolarHBondContact N-O 2.63Å; W433-E451 VanDerWaalsContact N-O 3.08Å; W433-E451 PolarHBondContact O-N 2.9Å; W433-V453 HydrophobicContact CH2-CG2 3.87Å; W433-V453 HydrophobicContact CZ3-CB 4.22Å; W433-V453 HydrophobicContact CZ3-CG2 3.5Å; W433-Y471 WeakPolarHBondContact CZ2-O 3.3Å; W433-Y471 PolarHBondContact NE1-O 2.72Å; W433-E472 WeakPolarHBondContact CH2-O 2.88Å; W433-E472 VanDerWaalsContact CZ2-O 3.32Å; W433-E472 WeakPolarHBondContact CZ2-O 3.37Å; W433-R473 HydrophobicContact CZ2-CG 4.13Å
434	V	89.4	Confident	77.1	Confident	18 Å²	18	45.1 Å²	45.1	11%	0.109	22%	0.223	C	C	.	.			trans	-97.3	108.1	-179.5	-174.4	0	0	0	0	108.1	P299 Y430	P299-V434 HydrophobicContact CB-CB 4.34Å; P299-V434 HydrophobicContact CB-CG1 3.91Å; P299-V434 HydrophobicContact CB-CG2 4.32Å; P299-V434 HydrophobicContact CG-CB 4.17Å; P299-V434 HydrophobicContact CG-CG1 4.29Å; P299-V434 HydrophobicContact CG-CG2 4.07Å; Y430-V434 HydrophobicContact CE1-CG2 4.13Å
435	P	86.2	Confident	74.5	Confident	29 Å²	29	50.4 Å²	50.4	19%	0.188	26%	0.256	C	S	.	.			trans	-65.4	161.4	178.4	28	-34.1	0	0	0	111.2	W306 W433 Q437 H449	W306-P435 HydrophobicContact CD2-CB 4.48Å; W306-P435 VanDerWaalsContact CE3-CA 3.45Å; W306-P435 HydrophobicContact CE3-CB 4.1Å; W306-P435 HydrophobicContact CZ3-CB 4.08Å; W433-P435 WeakPolarHBondContact O-CD 3.32Å; P435-Q437 PolarHBondContact O-N 2.73Å; P435-H449 WeakPolarHBondContact CD-O 3.43Å; P435-H449 VanDerWaalsContact CG-O 3.25Å; P435-H449 WeakPolarHBondContact CG-O 3.35Å
436	P	79.6	Confident	72	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.019	27%	0.274	C	S	.	.			trans	-52.7	129.2	178.6	-28	36.5	0	0	0	111.7	R55 W306 T438 F439	R55-P436 VanDerWaalsContact CZ-CG 3.45Å; W306-P436 HydrophobicContact CB-CG 4.12Å; W306-P436 HydrophobicContact CG-CG 4Å; P436-T438 PolarHBondContact O-N 3.5Å; P436-F439 HydrophobicContact CB-CD2 3.7Å; P436-F439 HydrophobicContact CB-CE2 3.58Å; P436-F439 HydrophobicContact CB-CZ 4.45Å; P436-F439 HydrophobicContact CG-CD2 3.94Å; P436-F439 HydrophobicContact CG-CE2 3.46Å; P436-F439 VanDerWaalsContact CG-CE2 3.46Å; P436-F439 HydrophobicContact CG-CZ 4.42Å; P436-F439 WeakPolarHBondContact O-CD2 3.37Å; P436-F439 PolarHBondContact O-N 3.04Å; P436-F439 VanDerWaalsContact O-N 3.09Å
437	Q	70.9	Confident	69.9	Low	6 Å²	6	61.1 Å²	61.1	3%	0.028	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-67.5	-11.1	-172.4	-59.6	-173.1	20.7	0	0	113.4	N254 R257 P299 G303 P435 F439 L444	N254-Q437 HydrophobicContact CB-CB 4.31Å; N254-Q437 PolarHBondContact ND2-OE1 3.48Å; R257-Q437 HydrophobicContact CB-CB 3.93Å; R257-Q437 HydrophobicContact CG-CB 4.02Å; P299-Q437 PolarHBondContact O-NE2 2.81Å; G303-Q437 PolarHBondContact O-NE2 3.27Å; P435-Q437 PolarHBondContact O-N 2.73Å; Q437-F439 VanDerWaalsContact C-N 3.29Å; Q437-L444 HydrophobicContact CB-CD1 3.66Å; Q437-L444 HydrophobicContact CG-CD1 3.76Å
438	T	60.4	Low	67.5	Low	37 Å²	37	65.6 Å²	65.6	23%	0.227	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-69.3	-21.7	172.6	44.8	0	0	0	0	114.1	E63 I252 P436 S440	E63-T438 HydrophobicContact CB-CG2 4.32Å; E63-T438 HydrophobicContact CG-CG2 3.59Å; E63-T438 WeakPolarHBondContact OE1-CG2 3.5Å; I252-T438 HydrophobicContact CD1-CG2 4.29Å; I252-T438 HydrophobicContact CG1-CG2 4.07Å; I252-T438 HydrophobicContact CG2-CG2 4.17Å; P436-T438 PolarHBondContact O-N 3.5Å; T438-S440 VanDerWaalsContact C-N 3.29Å; T438-S440 PolarHBondContact O-N 3.34Å
439	F	56.4	Low	65.7	Low	153 Å²	153	69.4 Å²	69.4	67%	0.671	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-80.1	-6.8	-176.5	-62.8	-52.2	0	0	0	114.1	P436 Q437	P436-F439 HydrophobicContact CB-CD2 3.7Å; P436-F439 HydrophobicContact CB-CE2 3.58Å; P436-F439 HydrophobicContact CB-CZ 4.45Å; P436-F439 HydrophobicContact CG-CD2 3.94Å; P436-F439 HydrophobicContact CG-CE2 3.46Å; P436-F439 VanDerWaalsContact CG-CE2 3.46Å; P436-F439 HydrophobicContact CG-CZ 4.42Å; P436-F439 WeakPolarHBondContact O-CD2 3.37Å; P436-F439 PolarHBondContact O-N 3.04Å; P436-F439 VanDerWaalsContact O-N 3.09Å; Q437-F439 VanDerWaalsContact C-N 3.29Å
440	S	53.3	Low	64.5	Low	13 Å²	13	69.8 Å²	69.8	9%	0.091	34%	0.336	C	S	.	.			trans	-113.3	123.8	178.6	-174.3	0	0	0	0	111.6	T438 Q442	T438-S440 VanDerWaalsContact C-N 3.29Å; T438-S440 PolarHBondContact O-N 3.34Å; S440-Q442 PolarHBondContact O-N 2.93Å; S440-Q442 PolarHBondContact OG-N 3.14Å
441	N	47.5	Very low	63.7	Low	149 Å²	149	70.6 Å²	70.6	80%	0.797	34%	0.342	S	S	*	.	S	Bend	trans	-72.7	-2.3	168.7	-76.9	-14.7	0	0	0	112.7
442	Q	45	Very low	63	Low	127 Å²	127	75.5 Å²	75.5	59%	0.593	36%	0.356	S	S	*	.	S	Bend	trans	-102.3	146.9	179.7	-65.7	-175.7	-3.2	0	0	110.7	S440 L444	S440-Q442 PolarHBondContact O-N 2.93Å; S440-Q442 PolarHBondContact OG-N 3.14Å; Q442-L444 PolarHBondContact O-N 3.24Å
443	R	47	Very low	62	Low	198 Å²	198	77.2 Å²	77.2	75%	0.747	37%	0.367	S	S	*	.			trans	-53.8	107.6	168	-67.3	-180	178.2	-178.1	-0.2	106.9	T445	R443-T445 HydrophobicContact CB-CG2 4.22Å; R443-T445 PolarHBondContact O-N 3.08Å; R443-T445 PolarHBondContact O-OG1 2.99Å
444	L	50.3	Low	60.8	Low	36 Å²	36	88.7 Å²	88.7	19%	0.188	41%	0.41	C	S	.	.			trans	-71.5	63.9	173.1	-68.9	164.8	0	0	0	109	Q437 Q442 T446 H449	Q437-L444 HydrophobicContact CB-CD1 3.66Å; Q437-L444 HydrophobicContact CG-CD1 3.76Å; Q442-L444 PolarHBondContact O-N 3.24Å; L444-T446 VanDerWaalsContact C-N 3.29Å; L444-H449 HydrophobicContact CD2-CB 4.15Å
445	T	44.2	Very low	59.8	Low	111 Å²	111	91.5 Å²	91.5	68%	0.681	42%	0.419	S	S	*	.			trans	-87.3	-8.2	164.2	53	0	0	0	0	110.4	R443	R443-T445 HydrophobicContact CB-CG2 4.22Å; R443-T445 PolarHBondContact O-N 3.08Å; R443-T445 PolarHBondContact O-OG1 2.99Å
446	T	46.2	Very low	59	Low	62 Å²	62	96.9 Å²	96.9	38%	0.38	45%	0.446	S	S	.	.	S	Bend	trans	-128.9	142.5	-172.2	59.4	0	0	0	0	112.6	L444 H448	L444-T446 VanDerWaalsContact C-N 3.29Å; T446-H448 VanDerWaalsContact CB-CD2 3.41Å; T446-H448 WeakPolarHBondContact CB-CD2 3.48Å; T446-H448 PolarHBondContact O-N 3.09Å; T446-H448 PolarHBondContact OG1-CD2 3.05Å
447	R	51.2	Low	58.2	Low	163 Å²	163	108.2 Å²	108.2	62%	0.615	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-69.5	8.1	-173.3	-62.2	179.8	-179.6	174.7	-0.1	114.4	H449 R452	R447-H449 VanDerWaalsContact C-N 3.28Å; R447-H449 PolarHBondContact O-N 3.08Å; R447-R452 VanDerWaalsContact C-NH2 3.26Å; R447-R452 PolarHBondContact O-NE 2.85Å; R447-R452 PolarHBondContact O-NH2 3.12Å
448	H	44.8	Very low	58.2	Low	145 Å²	145	108.8 Å²	108.8	67%	0.671	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-72.2	-14.7	-163.8	-66.8	-66.6	0	0	0	114.9	T446	T446-H448 VanDerWaalsContact CB-CD2 3.41Å; T446-H448 WeakPolarHBondContact CB-CD2 3.48Å; T446-H448 PolarHBondContact O-N 3.09Å; T446-H448 PolarHBondContact OG1-CD2 3.05Å
449	H	55.6	Low	59.6	Low	84 Å²	84	109.1 Å²	109.1	39%	0.389	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-107.2	4.8	-176.7	-59.2	-73.4	0	0	0	114.3	P435 L444 R447	P435-H449 WeakPolarHBondContact CD-O 3.43Å; P435-H449 VanDerWaalsContact CG-O 3.25Å; P435-H449 WeakPolarHBondContact CG-O 3.35Å; L444-H449 HydrophobicContact CD2-CB 4.15Å; R447-H449 VanDerWaalsContact C-N 3.28Å; R447-H449 PolarHBondContact O-N 3.08Å
450	N	68.3	Low	61.4	Low	25 Å²	25	102.2 Å²	102.2	13%	0.134	47%	0.465	C	S	.	.	S	Bend	trans	-79.4	142.7	-179.5	-60.9	-17	0	0	0	110	Y430 D432 W433 R452	Y430-N450 PolarHBondContact OH-ND2 3.2Å; D432-N450 HydrophobicContact CB-CB 3.84Å; W433-N450 WeakPolarHBondContact O-CA 3.34Å; N450-R452 HydrophobicContact CB-CG 4.46Å; N450-R452 WeakPolarHBondContact O-CG 3.49Å; N450-R452 PolarHBondContact O-N 3.49Å
451	E	72.3	Confident	63.5	Low	81 Å²	81	102.9 Å²	102.9	38%	0.379	47%	0.467	S	S	.	.	B	Isolated β-bridge	trans	-73.5	118	167.2	-61	-177.4	171.8	0	0	107.4	W306 W433 R473	W306-E451 VanDerWaalsContact CH2-CD 3.48Å; W306-E451 HydrophobicContact CH2-CG 4.32Å; W306-E451 WeakPolarHBondContact CH2-OE1 3.16Å; W306-E451 WeakPolarHBondContact CH2-OE2 3.37Å; W306-E451 HydrophobicContact CZ3-CG 4.43Å; W433-E451 HydrophobicContact CB-CB 4.2Å; W433-E451 PolarHBondContact N-O 2.63Å; W433-E451 VanDerWaalsContact N-O 3.08Å; W433-E451 PolarHBondContact O-N 2.9Å; E451-R473 IonicContact OE2-CZ 3.78Å; E451-R473 IonicContact OE2-NH1 2.81Å; E451-R473 PolarHBondContact OE2-NH1 2.66Å; E451-R473 IonicContact OE2-NH2 3.99Å; E451-R473 PolarHBondContact OE2-NH2 2.97Å
452	R	72.1	Confident	65.8	Low	130 Å²	130	96.4 Å²	96.4	49%	0.491	43%	0.432	S	S	.	.			trans	-111.5	136.8	-173.4	-59.5	-171.9	-171.9	-173.5	6.9	109.8	D432 R447 N450	D432-R452 IonicContact OD2-NE 3.98Å; R447-R452 VanDerWaalsContact C-NH2 3.26Å; R447-R452 PolarHBondContact O-NE 2.85Å; R447-R452 PolarHBondContact O-NH2 3.12Å; N450-R452 HydrophobicContact CB-CG 4.46Å; N450-R452 WeakPolarHBondContact O-CG 3.49Å; N450-R452 PolarHBondContact O-N 3.49Å
453	V	68.3	Low	68.4	Low	51 Å²	51	90.4 Å²	90.4	31%	0.309	40%	0.403	S	S	.	.			trans	-108.4	120.8	161.1	-177.7	0	0	0	0	107.6	W433 W455	W433-V453 HydrophobicContact CH2-CG2 3.87Å; W433-V453 HydrophobicContact CZ3-CB 4.22Å; W433-V453 HydrophobicContact CZ3-CG2 3.5Å; V453-W455 HydrophobicContact CB-CZ2 4.09Å; V453-W455 HydrophobicContact CG1-CD2 3.98Å; V453-W455 HydrophobicContact CG1-CH2 3.98Å; V453-W455 HydrophobicContact CG1-CZ2 3.35Å; V453-W455 PolarHBondContact O-N 2.69Å
454	R	67.4	Low	70.8	Confident	241 Å²	241	81 Å²	81	91%	0.909	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-80.5	116.7	173.3	-68.1	-173.4	-177.4	-169.9	2.6	108
455	W	69.3	Low	73.1	Confident	77 Å²	77	81 Å²	81	29%	0.292	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-103.3	153	170.3	-56.7	97.1	0	0	0	109.5	V453 R457 K459 D475	V453-W455 HydrophobicContact CB-CZ2 4.09Å; V453-W455 HydrophobicContact CG1-CD2 3.98Å; V453-W455 HydrophobicContact CG1-CH2 3.98Å; V453-W455 HydrophobicContact CG1-CZ2 3.35Å; V453-W455 PolarHBondContact O-N 2.69Å; W455-R457 PolarHBondContact O-N 3.48Å; W455-K459 HydrophobicContact CB-CB 4.49Å; W455-K459 HydrophobicContact CB-CD 4.34Å; W455-K459 HydrophobicContact CD2-CD 4.1Å; W455-K459 HydrophobicContact CE3-CD 3.69Å; W455-K459 HydrophobicContact CG-CD 4.39Å; W455-K459 HydrophobicContact CZ3-CD 4.38Å; W455-D475 HydrophobicContact CH2-CB 3.78Å; W455-D475 HydrophobicContact CZ3-CB 4.16Å
456	D	68.7	Low	75.7	Confident	142 Å²	142	76 Å²	76	76%	0.759	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-53	132.1	170.8	-70.2	-27	0	0	0	110.1	G458 K459	D456-G458 PolarHBondContact O-N 3.03Å; D456-K459 PolarHBondContact O-N 3.46Å
457	R	64.1	Low	78	Confident	242 Å²	242	77.1 Å²	77.1	91%	0.913	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	103.4	177.1	-73	-175	-176.8	-176.8	2.2	108.1	N398 W455	N398-R457 PolarHBondContact ND2-O 3.13Å; W455-R457 PolarHBondContact O-N 3.48Å
458	G	70.1	Confident	80.2	Confident	17 Å²	17	73.2 Å²	73.2	18%	0.175	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	115.2	4.3	178.3	0	0	0	0	0	115.8	N398 D456 S460	N398-G458 VanDerWaalsContact CB-O 3.27Å; N398-G458 WeakPolarHBondContact CB-O 3.17Å; D456-G458 PolarHBondContact O-N 3.03Å; G458-S460 PolarHBondContact O-N 3.48Å
459	K	89.3	Confident	82.8	Confident	45 Å²	45	67.5 Å²	67.5	20%	0.196	32%	0.321	C	S	.	.			trans	-48.8	134.1	164.4	-173.2	170.5	175.4	64.9	0	109.5	W455 D456 I461 W462 D475 S477	W455-K459 HydrophobicContact CB-CB 4.49Å; W455-K459 HydrophobicContact CB-CD 4.34Å; W455-K459 HydrophobicContact CD2-CD 4.1Å; W455-K459 HydrophobicContact CE3-CD 3.69Å; W455-K459 HydrophobicContact CG-CD 4.39Å; W455-K459 HydrophobicContact CZ3-CD 4.38Å; D456-K459 PolarHBondContact O-N 3.46Å; K459-I461 WeakPolarHBondContact CE-O 3.24Å; K459-I461 PolarHBondContact NZ-O 2.94Å; K459-W462 HydrophobicContact CB-CH2 4.27Å; K459-W462 HydrophobicContact CB-CZ2 3.83Å; K459-W462 HydrophobicContact CD-CD2 4.41Å; K459-W462 HydrophobicContact CD-CZ2 3.9Å; K459-W462 HydrophobicContact CG-CD2 4.36Å; K459-W462 HydrophobicContact CG-CH2 4.16Å; K459-W462 HydrophobicContact CG-CZ2 3.62Å; K459-W462 WeakPolarHBondContact O-CH2 3.22Å; K459-D475 WeakPolarHBondContact CE-OD2 3.49Å; K459-D475 IonicContact NZ-OD2 2.64Å; K459-D475 PolarHBondContact NZ-OD2 3.21Å; K459-S477 PolarHBondContact NZ-OG 2.67Å
460	S	94.7	Very high	84.7	Confident	8 Å²	8	64.9 Å²	64.9	6%	0.056	31%	0.312	C	S	.	.			trans	-133.7	3.6	-169.4	60.6	0	0	0	0	113	T410 T425 G426 G458	T410-S460 WeakPolarHBondContact O-CB 3.43Å; T410-S460 PolarHBondContact OG1-OG 3.27Å; T425-S460 CarbonylContact C-O 3.56Å; T425-S460 WeakPolarHBondContact CA-O 3.42Å; G426-S460 PolarHBondContact N-O 3.2Å; G458-S460 PolarHBondContact O-N 3.48Å
461	I	96.4	Very high	86.1	Confident	26 Å²	26	68.2 Å²	68.2	13%	0.133	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	137.4	178.1	-161.7	156.9	0	0	0	110.8	T410 L423 L424 T425 K459 V484 L488	T410-I461 HydrophobicContact CG2-CD1 4.09Å; L423-I461 HydrophobicContact CD1-CD1 4.25Å; L423-I461 HydrophobicContact CD1-CG1 4.02Å; L424-I461 WeakPolarHBondContact O-CA 3.1Å; T425-I461 HydrophobicContact CG2-CD1 4.4Å; T425-I461 HydrophobicContact CG2-CG1 4.29Å; K459-I461 WeakPolarHBondContact CE-O 3.24Å; K459-I461 PolarHBondContact NZ-O 2.94Å; I461-V484 HydrophobicContact CD1-CG1 3.35Å; I461-V484 HydrophobicContact CG1-CG1 4.21Å; I461-L488 HydrophobicContact CD1-CD1 4.04Å; I461-L488 HydrophobicContact CD1-CD2 4.28Å; I461-L488 HydrophobicContact CD1-CG 4.47Å
462	W	97.5	Very high	87.3	Confident	14 Å²	14	64.3 Å²	64.3	5%	0.053	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	148.5	174.8	-61.2	-103.9	0	0	0	109.8	W316 L423 L424 G426 P428 K459 F464 D475	W316-W462 AromaticContact CH2-CD1 3.96Å; W316-W462 HydrophobicContact CH2-CD2 4.16Å; W316-W462 HydrophobicContact CH2-CG 4.14Å; W316-W462 AromaticContact CH2-NE1 3.88Å; L423-W462 WeakPolarHBondContact CA-O 3.3Å; L423-W462 WeakPolarHBondContact CD1-O 3.49Å; L424-W462 HydrophobicContact CB-CB 4.41Å; L424-W462 HydrophobicContact CB-CE3 4.15Å; L424-W462 HydrophobicContact CD1-CB 4.1Å; L424-W462 PolarHBondContact N-O 3.19Å; L424-W462 PolarHBondContact O-N 2.8Å; G426-W462 VanDerWaalsContact O-CZ3 3.31Å; G426-W462 WeakPolarHBondContact O-CZ3 3.12Å; P428-W462 HydrophobicContact CG-CE3 3.85Å; P428-W462 HydrophobicContact CG-CH2 4.04Å; P428-W462 HydrophobicContact CG-CZ3 3.59Å; K459-W462 HydrophobicContact CB-CH2 4.27Å; K459-W462 HydrophobicContact CB-CZ2 3.83Å; K459-W462 HydrophobicContact CD-CD2 4.41Å; K459-W462 HydrophobicContact CD-CZ2 3.9Å; K459-W462 HydrophobicContact CG-CD2 4.36Å; K459-W462 HydrophobicContact CG-CH2 4.16Å; K459-W462 HydrophobicContact CG-CZ2 3.62Å; K459-W462 WeakPolarHBondContact O-CH2 3.22Å; W462-F464 HydrophobicContact CB-CD2 4.33Å; W462-F464 HydrophobicContact CB-CE2 3.52Å; W462-F464 HydrophobicContact CB-CZ 4.05Å; W462-F464 AromaticContact CD1-CZ 3.95Å; W462-F464 HydrophobicContact CG-CE2 4.14Å; W462-F464 HydrophobicContact CG-CZ 4.34Å; W462-D475 WeakPolarHBondContact CA-OD1 3.14Å
463	L	98.6	Very high	88.3	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	129.2	173.3	-179.8	70.7	0	0	0	109.3	W421 K422 L423 D475 L476 I483 V484 M487	W421-L463 HydrophobicContact CB-CD1 4.29Å; W421-L463 HydrophobicContact CE3-CD1 3.99Å; W421-L463 HydrophobicContact CE3-CD2 4.02Å; W421-L463 HydrophobicContact CE3-CG 3.89Å; W421-L463 HydrophobicContact CZ3-CD2 4.09Å; W421-L463 HydrophobicContact CZ3-CG 4.25Å; K422-L463 CarbonylContact O-C 3.26Å; K422-L463 WeakPolarHBondContact O-CA 3.5Å; L423-L463 HydrophobicContact CD1-CD1 4.45Å; L463-D475 PolarHBondContact N-OD1 3.44Å; L463-L476 PolarHBondContact O-N 3Å; L463-I483 HydrophobicContact CD1-CG2 3.92Å; L463-I483 HydrophobicContact CD2-CB 4.02Å; L463-I483 HydrophobicContact CD2-CG2 3.75Å; L463-I483 HydrophobicContact CG-CG2 4.47Å; L463-V484 HydrophobicContact CB-CG2 4.13Å; L463-V484 HydrophobicContact CD2-CG2 3.83Å; L463-V484 HydrophobicContact CG-CG2 4.45Å; L463-M487 HydrophobicContact CD1-SD 3.37Å; L463-M487 WeakPolarHBondContact CD1-SD 3.3Å
464	F	98.6	Very high	89.6	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	146.1	176.8	-59.5	-80.7	0	0	0	110.6	W316 W421 K422 L424 W462 I466 E472 V474 D475	W316-F464 AromaticContact CZ3-CE2 3.68Å; W316-F464 HydrophobicContact CZ3-CE2 3.68Å; W316-F464 AromaticContact CZ3-CZ 3.94Å; W316-F464 HydrophobicContact CZ3-CZ 3.94Å; W421-F464 CarbonylContact C-O 3.58Å; W421-F464 WeakPolarHBondContact CA-O 3.46Å; K422-F464 PolarHBondContact N-O 3.29Å; K422-F464 PolarHBondContact O-N 3.11Å; L424-F464 HydrophobicContact CD1-CD2 3.72Å; L424-F464 HydrophobicContact CD1-CE2 3.67Å; W462-F464 HydrophobicContact CB-CD2 4.33Å; W462-F464 HydrophobicContact CB-CE2 3.52Å; W462-F464 HydrophobicContact CB-CZ 4.05Å; W462-F464 AromaticContact CD1-CZ 3.95Å; W462-F464 HydrophobicContact CG-CE2 4.14Å; W462-F464 HydrophobicContact CG-CZ 4.34Å; F464-I466 HydrophobicContact CB-CD1 3.74Å; F464-I466 HydrophobicContact CB-CG1 4.44Å; F464-E472 HydrophobicContact CB-CG 4.47Å; F464-E472 HydrophobicContact CD1-CB 3.86Å; F464-E472 HydrophobicContact CD1-CG 4.36Å; F464-E472 HydrophobicContact CD2-CB 4.14Å; F464-E472 HydrophobicContact CD2-CG 4.06Å; F464-E472 VanDerWaalsContact CE1-C 3.46Å; F464-E472 HydrophobicContact CE1-CB 3.84Å; F464-E472 VanDerWaalsContact CE1-O 3.26Å; F464-E472 WeakPolarHBondContact CE1-O 3.43Å; F464-E472 HydrophobicContact CE2-CB 4.12Å; F464-E472 HydrophobicContact CE2-CG 4.42Å; F464-E472 HydrophobicContact CG-CB 4.02Å; F464-E472 HydrophobicContact CG-CG 4.03Å; F464-E472 HydrophobicContact CZ-CB 3.98Å; F464-V474 WeakPolarHBondContact CD1-O 3.23Å; F464-V474 WeakPolarHBondContact CE1-O 3.49Å; F464-D475 HydrophobicContact CE1-CB 4.11Å; F464-D475 HydrophobicContact CZ-CB 4.25Å
465	N	98.4	Very high	91	Very high	37 Å²	37	54.3 Å²	54.3	20%	0.198	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	95.5	162.9	-179.9	-22.3	0	0	0	107.8	H420 W421 T467 A468 D469 L476	H420-N465 CarbonylContact O-C 3.5Å; H420-N465 WeakPolarHBondContact O-CA 3.35Å; W421-N465 HydrophobicContact CE3-CB 4.08Å; W421-N465 HydrophobicContact CH2-CB 4.22Å; W421-N465 HydrophobicContact CZ3-CB 3.86Å; N465-T467 PolarHBondContact O-N 3.41Å; N465-T467 PolarHBondContact OD1-N 2.96Å; N465-A468 HydrophobicContact CB-CB 4.4Å; N465-A468 PolarHBondContact O-N 3.23Å; N465-A468 PolarHBondContact OD1-N 3.08Å; N465-D469 WeakPolarHBondContact O-CA 3.41Å; N465-D469 PolarHBondContact O-N 3.29Å; N465-L476 HydrophobicContact CB-CD1 4.15Å
466	I	97.9	Very high	92.3	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.026	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-23.3	-172.4	-60.8	-60.1	0	0	0	112.8	E317 H420 K422 F464 D469 P470 E472	E317-I466 HydrophobicContact CG-CD1 4.1Å; H420-I466 PolarHBondContact O-N 2.89Å; K422-I466 HydrophobicContact CB-CD1 3.88Å; K422-I466 HydrophobicContact CB-CG1 3.39Å; K422-I466 HydrophobicContact CD-CD1 3.81Å; K422-I466 HydrophobicContact CD-CG1 3.97Å; K422-I466 HydrophobicContact CG-CG1 4.34Å; F464-I466 HydrophobicContact CB-CD1 3.74Å; F464-I466 HydrophobicContact CB-CG1 4.44Å; I466-D469 CarbonylContact O-C 3.55Å; I466-P470 VanDerWaalsContact O-CA 3.26Å; I466-P470 WeakPolarHBondContact O-CA 3.17Å; I466-E472 HydrophobicContact CD1-CG 3.67Å
467	T	95.4	Very high	93.7	Very high	87 Å²	87	45.4 Å²	45.4	53%	0.534	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-38.2	176	-55	0	0	0	0	111.4	H420 N465	H420-T467 WeakPolarHBondContact ND1-CB 3.34Å; H420-T467 PolarHBondContact ND1-OG1 3.03Å; N465-T467 PolarHBondContact O-N 3.41Å; N465-T467 PolarHBondContact OD1-N 2.96Å
468	A	97.4	Very high	95.2	Very high	81 Å²	81	42.5 Å²	42.5	67%	0.669	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-31.2	176.9	0	0	0	0	0	113.3	N465	N465-A468 HydrophobicContact CB-CB 4.4Å; N465-A468 PolarHBondContact O-N 3.23Å; N465-A468 PolarHBondContact OD1-N 3.08Å
469	D	97.8	Very high	96.5	Very high	24 Å²	24	47.6 Å²	47.6	13%	0.128	25%	0.248	C	C	.	.			trans	-132.3	75.7	-177.8	178.2	18.1	0	0	0	109.9	N465 I466 Y471 E472 R473 V474	N465-D469 WeakPolarHBondContact O-CA 3.41Å; N465-D469 PolarHBondContact O-N 3.29Å; I466-D469 CarbonylContact O-C 3.55Å; D469-Y471 PolarHBondContact O-N 3.23Å; D469-Y471 PolarHBondContact OD1-N 3.17Å; D469-E472 PolarHBondContact O-N 2.78Å; D469-E472 PolarHBondContact OD1-N 3.32Å; D469-E472 VanDerWaalsContact OD1-N 3.11Å; D469-R473 VanDerWaalsContact CG-N 3.35Å; D469-R473 PolarHBondContact OD1-N 2.89Å; D469-R473 VanDerWaalsContact OD1-N 3.16Å; D469-R473 PolarHBondContact OD2-N 3.21Å; D469-V474 PolarHBondContact OD2-N 3.2Å
470	P	97	Very high	96.9	Very high	29 Å²	29	49 Å²	49	19%	0.188	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-6.6	179.3	27.9	-35.8	0	0	0	113.4	I466	I466-P470 VanDerWaalsContact O-CA 3.26Å; I466-P470 WeakPolarHBondContact O-CA 3.17Å
471	Y	96.6	Very high	97.1	Very high	95 Å²	95	50.9 Å²	50.9	37%	0.373	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-1.9	-174.9	-50.2	-39.5	0	0	0	112.3	P307 L308 W433 D469 R473	P307-Y471 HydrophobicContact CB-CD1 4.15Å; P307-Y471 HydrophobicContact CB-CE1 4.07Å; P307-Y471 HydrophobicContact CG-CD1 3.87Å; P307-Y471 HydrophobicContact CG-CE1 3.33Å; P307-Y471 HydrophobicContact CG-CE2 4.33Å; P307-Y471 WeakPolarHBondContact O-CD1 3.15Å; L308-Y471 HydrophobicContact CD2-CD1 3.95Å; L308-Y471 HydrophobicContact CD2-CE1 4.18Å; W433-Y471 WeakPolarHBondContact CZ2-O 3.3Å; W433-Y471 PolarHBondContact NE1-O 2.72Å; D469-Y471 PolarHBondContact O-N 3.23Å; D469-Y471 PolarHBondContact OD1-N 3.17Å; Y471-R473 VanDerWaalsContact C-N 3.32Å; Y471-R473 PolarHBondContact O-N 2.79Å
472	E	97.5	Very high	97.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.285	C	S	.	.			trans	58.7	41.3	177.1	-57.6	170.5	120.1	0	0	113	R309 W316 E317 K422 W433 F464 I466 D469	R309-E472 HydrophobicContact CB-CB 4.41Å; R309-E472 PolarHBondContact NH1-O 2.9Å; W316-E472 WeakPolarHBondContact CA-OE2 3.37Å; W316-E472 HydrophobicContact CE3-CB 4.49Å; E317-E472 HydrophobicContact CG-CG 3.91Å; E317-E472 PolarHBondContact N-OE2 2.83Å; K422-E472 WeakPolarHBondContact CD-OE1 3.19Å; K422-E472 WeakPolarHBondContact CE-OE1 3.38Å; K422-E472 IonicContact NZ-OE1 3.8Å; K422-E472 PolarHBondContact NZ-OE1 2.88Å; W433-E472 WeakPolarHBondContact CH2-O 2.88Å; W433-E472 VanDerWaalsContact CZ2-O 3.32Å; W433-E472 WeakPolarHBondContact CZ2-O 3.37Å; F464-E472 HydrophobicContact CB-CG 4.47Å; F464-E472 HydrophobicContact CD1-CB 3.86Å; F464-E472 HydrophobicContact CD1-CG 4.36Å; F464-E472 HydrophobicContact CD2-CB 4.14Å; F464-E472 HydrophobicContact CD2-CG 4.06Å; F464-E472 VanDerWaalsContact CE1-C 3.46Å; F464-E472 HydrophobicContact CE1-CB 3.84Å; F464-E472 VanDerWaalsContact CE1-O 3.26Å; F464-E472 WeakPolarHBondContact CE1-O 3.43Å; F464-E472 HydrophobicContact CE2-CB 4.12Å; F464-E472 HydrophobicContact CE2-CG 4.42Å; F464-E472 HydrophobicContact CG-CB 4.02Å; F464-E472 HydrophobicContact CG-CG 4.03Å; F464-E472 HydrophobicContact CZ-CB 3.98Å; I466-E472 HydrophobicContact CD1-CG 3.67Å; D469-E472 PolarHBondContact O-N 2.78Å; D469-E472 PolarHBondContact OD1-N 3.32Å; D469-E472 VanDerWaalsContact OD1-N 3.11Å
473	R	94.6	Very high	97.2	Very high	91 Å²	91	56 Å²	56	34%	0.343	29%	0.289	S	S	.	.			trans	-78.8	-38.4	-177.8	-64.9	-76	-177.9	161.6	-0.3	111.9	W433 E451 D469 Y471	W433-R473 HydrophobicContact CZ2-CG 4.13Å; E451-R473 IonicContact OE2-CZ 3.78Å; E451-R473 IonicContact OE2-NH1 2.81Å; E451-R473 PolarHBondContact OE2-NH1 2.66Å; E451-R473 IonicContact OE2-NH2 3.99Å; E451-R473 PolarHBondContact OE2-NH2 2.97Å; D469-R473 VanDerWaalsContact CG-N 3.35Å; D469-R473 PolarHBondContact OD1-N 2.89Å; D469-R473 VanDerWaalsContact OD1-N 3.16Å; D469-R473 PolarHBondContact OD2-N 3.21Å; Y471-R473 VanDerWaalsContact C-N 3.32Å; Y471-R473 PolarHBondContact O-N 2.79Å
474	V	94.8	Very high	97.2	Very high	87 Å²	87	56.1 Å²	56.1	53%	0.527	29%	0.29	S	S	.	.	S	Bend	trans	-117.7	108	-171.7	-173.3	0	0	0	0	110.1	F464 D469 L476	F464-V474 WeakPolarHBondContact CD1-O 3.23Å; F464-V474 WeakPolarHBondContact CE1-O 3.49Å; D469-V474 PolarHBondContact OD2-N 3.2Å; V474-L476 HydrophobicContact CG1-CD2 3.84Å
475	D	96.3	Very high	97.2	Very high	33 Å²	33	60.4 Å²	60.4	18%	0.176	31%	0.308	C	S	.	.			trans	-76.1	124.6	173.1	171.9	41.6	0	0	0	110.8	W455 K459 W462 L463 F464 S477	W455-D475 HydrophobicContact CH2-CB 3.78Å; W455-D475 HydrophobicContact CZ3-CB 4.16Å; K459-D475 WeakPolarHBondContact CE-OD2 3.49Å; K459-D475 IonicContact NZ-OD2 2.64Å; K459-D475 PolarHBondContact NZ-OD2 3.21Å; W462-D475 WeakPolarHBondContact CA-OD1 3.14Å; L463-D475 PolarHBondContact N-OD1 3.44Å; F464-D475 HydrophobicContact CE1-CB 4.11Å; F464-D475 HydrophobicContact CZ-CB 4.25Å; D475-S477 VanDerWaalsContact CG-OG 3.27Å; D475-S477 VanDerWaalsContact OD1-CB 3.25Å; D475-S477 WeakPolarHBondContact OD1-CB 3.39Å; D475-S477 PolarHBondContact OD1-N 2.98Å; D475-S477 PolarHBondContact OD1-OG 2.73Å; D475-S477 PolarHBondContact OD2-OG 3.46Å
476	L	97.9	Very high	97.2	Very high	26 Å²	26	65.7 Å²	65.7	14%	0.136	33%	0.33	C	S	.	.			trans	-106.5	6.8	-174.7	-62.5	179.6	0	0	0	112.6	W421 L463 N465 V474 Q478 Q479 Y480	W421-L476 HydrophobicContact CH2-CD1 4.3Å; W421-L476 HydrophobicContact CZ3-CD1 3.8Å; L463-L476 PolarHBondContact O-N 3Å; N465-L476 HydrophobicContact CB-CD1 4.15Å; V474-L476 HydrophobicContact CG1-CD2 3.84Å; L476-Q478 VanDerWaalsContact C-N 3.32Å; L476-Q478 PolarHBondContact O-N 3.32Å; L476-Q479 PolarHBondContact O-N 2.73Å; L476-Q479 VanDerWaalsContact O-N 3.12Å; L476-Y480 HydrophobicContact CB-CD2 3.88Å; L476-Y480 HydrophobicContact CB-CE2 4.23Å; L476-Y480 HydrophobicContact CD1-CE2 4.29Å; L476-Y480 HydrophobicContact CD2-CE2 4.25Å; L476-Y480 HydrophobicContact CG-CE2 4.49Å; L476-Y480 PolarHBondContact O-N 3.05Å
477	S	96.7	Very high	97.2	Very high	7 Å²	7	65.8 Å²	65.8	5%	0.049	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-35.2	-172	59.5	0	0	0	0	114.2	K459 D475	K459-S477 PolarHBondContact NZ-OG 2.67Å; D475-S477 VanDerWaalsContact CG-OG 3.27Å; D475-S477 VanDerWaalsContact OD1-CB 3.25Å; D475-S477 WeakPolarHBondContact OD1-CB 3.39Å; D475-S477 PolarHBondContact OD1-N 2.98Å; D475-S477 PolarHBondContact OD1-OG 2.73Å; D475-S477 PolarHBondContact OD2-OG 3.46Å
478	Q	95.5	Very high	97.4	Very high	180 Å²	180	61.7 Å²	61.7	84%	0.841	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-32.5	176	-68.3	-177.2	-6.7	0	0	112.6	L476	L476-Q478 VanDerWaalsContact C-N 3.32Å; L476-Q478 PolarHBondContact O-N 3.32Å
479	Q	98	Very high	97.4	Very high	125 Å²	125	62.3 Å²	62.3	58%	0.584	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-33.2	-178	-172.6	178.5	3.4	0	0	112.1	L476 P481	L476-Q479 PolarHBondContact O-N 2.73Å; L476-Q479 VanDerWaalsContact O-N 3.12Å; Q479-P481 WeakPolarHBondContact O-CD 3.29Å
480	Y	98.3	Very high	97.5	Very high	74 Å²	74	65 Å²	65	29%	0.29	30%	0.303	S	S	.	.			trans	-123.2	62.7	-177.5	-57.4	-91.1	0	0	0	112.8	W421 L476 H482 I483 V484	W421-Y480 HydrophobicContact CH2-CD2 4.37Å; W421-Y480 HydrophobicContact CH2-CE2 4.47Å; W421-Y480 HydrophobicContact CH2-CG 4.45Å; L476-Y480 HydrophobicContact CB-CD2 3.88Å; L476-Y480 HydrophobicContact CB-CE2 4.23Å; L476-Y480 HydrophobicContact CD1-CE2 4.29Å; L476-Y480 HydrophobicContact CD2-CE2 4.25Å; L476-Y480 HydrophobicContact CG-CE2 4.49Å; L476-Y480 PolarHBondContact O-N 3.05Å; Y480-H482 AromaticContact CD1-CE1 3.79Å; Y480-H482 PolarHBondContact O-N 3.1Å; Y480-I483 HydrophobicContact CD1-CD1 3.88Å; Y480-I483 HydrophobicContact CG-CD1 4.04Å; Y480-I483 PolarHBondContact O-N 3.27Å; Y480-I483 VanDerWaalsContact O-N 3.08Å; Y480-V484 PolarHBondContact O-N 2.88Å; Y480-V484 VanDerWaalsContact O-N 3.12Å
481	P	97.8	Very high	97.5	Very high	48 Å²	48	63.7 Å²	63.7	31%	0.312	30%	0.295	S	S	.	.	H	α-helix	trans	-63.5	-26	-177.4	26.5	-35.3	0	0	0	113	Y405 Q479 V484 K485	Y405-P481 WeakPolarHBondContact OH-CB 3.13Å; Q479-P481 WeakPolarHBondContact O-CD 3.29Å; P481-V484 PolarHBondContact O-N 2.98Å; P481-K485 WeakPolarHBondContact O-CG 3.3Å; P481-K485 PolarHBondContact O-N 2.78Å
482	H	98.1	Very high	97.6	Very high	122 Å²	122	61 Å²	61	57%	0.565	29%	0.288	S	S	*	.	H	α-helix	trans	-69.2	-37.8	175.3	61.7	-84.5	0	0	0	112.2	Y480 K485 K486	Y480-H482 AromaticContact CD1-CE1 3.79Å; Y480-H482 PolarHBondContact O-N 3.1Å; H482-K485 PolarHBondContact O-N 2.8Å; H482-K486 PolarHBondContact O-N 2.79Å; H482-K486 VanDerWaalsContact O-N 3.1Å
483	I	98.5	Very high	97.6	Very high	25 Å²	25	65.7 Å²	65.7	13%	0.128	31%	0.31	C	S	.	.	H	α-helix	trans	-67.5	-43.9	173.1	-70.5	165.1	0	0	0	109.8	W421 L463 Y480 K485 K486 M487	W421-I483 HydrophobicContact CB-CG2 4.4Å; W421-I483 HydrophobicContact CD2-CD1 4.18Å; W421-I483 HydrophobicContact CD2-CG2 3.92Å; W421-I483 HydrophobicContact CE3-CG2 4.25Å; W421-I483 HydrophobicContact CG-CG2 3.96Å; W421-I483 HydrophobicContact CH2-CD1 3.75Å; W421-I483 HydrophobicContact CZ2-CD1 3.35Å; W421-I483 HydrophobicContact CZ3-CD1 4.31Å; L463-I483 HydrophobicContact CD1-CG2 3.92Å; L463-I483 HydrophobicContact CD2-CB 4.02Å; L463-I483 HydrophobicContact CD2-CG2 3.75Å; L463-I483 HydrophobicContact CG-CG2 4.47Å; Y480-I483 HydrophobicContact CD1-CD1 3.88Å; Y480-I483 HydrophobicContact CG-CD1 4.04Å; Y480-I483 PolarHBondContact O-N 3.27Å; Y480-I483 VanDerWaalsContact O-N 3.08Å; I483-K485 VanDerWaalsContact C-N 3.33Å; I483-K485 PolarHBondContact O-N 3.2Å; I483-K486 PolarHBondContact O-N 2.9Å; I483-K486 VanDerWaalsContact O-N 3.11Å; I483-M487 HydrophobicContact CG2-CG 4.21Å; I483-M487 HydrophobicContact CG2-SD 4.12Å; I483-M487 WeakPolarHBondContact O-CG 3.32Å; I483-M487 PolarHBondContact O-N 3.3Å
484	V	98.6	Very high	97.8	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.012	30%	0.297	C	S	.	.	H	α-helix	trans	-53.4	-50.3	174.9	175.7	0	0	0	0	111	Y405 L423 I461 L463 Y480 P481 K486 M487 L488	Y405-V484 HydrophobicContact CE2-CG1 3.96Å; L423-V484 HydrophobicContact CD1-CG1 4.15Å; I461-V484 HydrophobicContact CD1-CG1 3.35Å; I461-V484 HydrophobicContact CG1-CG1 4.21Å; L463-V484 HydrophobicContact CB-CG2 4.13Å; L463-V484 HydrophobicContact CD2-CG2 3.83Å; L463-V484 HydrophobicContact CG-CG2 4.45Å; Y480-V484 PolarHBondContact O-N 2.88Å; Y480-V484 VanDerWaalsContact O-N 3.12Å; P481-V484 PolarHBondContact O-N 2.98Å; V484-K486 PolarHBondContact O-N 3.37Å; V484-M487 PolarHBondContact O-N 3.11Å; V484-L488 HydrophobicContact CG1-CD1 3.88Å; V484-L488 HydrophobicContact CG1-CG 4.27Å; V484-L488 VanDerWaalsContact O-CG 3.31Å; V484-L488 WeakPolarHBondContact O-CG 3.33Å; V484-L488 PolarHBondContact O-N 3.42Å
485	K	98.4	Very high	97.9	Very high	90 Å²	90	61.5 Å²	61.5	39%	0.391	29%	0.29	S	S	.	.	H	α-helix	trans	-57.4	-45.2	176.6	-73.3	174	-178.2	-178.7	0	112.2	Y405 L407 P481 H482 I483 M487 L488 M489	Y405-K485 HydrophobicContact CD1-CD 4.37Å; Y405-K485 HydrophobicContact CD1-CG 4.31Å; Y405-K485 HydrophobicContact CD2-CG 3.63Å; Y405-K485 VanDerWaalsContact CE1-CE 3.46Å; Y405-K485 HydrophobicContact CE2-CG 3.93Å; Y405-K485 HydrophobicContact CG-CD 4.3Å; Y405-K485 HydrophobicContact CG-CG 3.83Å; L407-K485 HydrophobicContact CD1-CB 4.48Å; P481-K485 WeakPolarHBondContact O-CG 3.3Å; P481-K485 PolarHBondContact O-N 2.78Å; H482-K485 PolarHBondContact O-N 2.8Å; I483-K485 VanDerWaalsContact C-N 3.33Å; I483-K485 PolarHBondContact O-N 3.2Å; K485-M487 PolarHBondContact O-N 3.44Å; K485-L488 PolarHBondContact O-N 3.24Å; K485-M489 WeakPolarHBondContact O-CG 3.28Å; K485-M489 PolarHBondContact O-N 3.01Å
486	K	98.4	Very high	98	Very high	149 Å²	149	67.9 Å²	67.9	65%	0.648	32%	0.316	S	S	*	.	H	α-helix	trans	-59.7	-44.6	177.6	-172.4	176.7	179.5	178.7	0	112	H482 I483 V484 M489 R490	H482-K486 PolarHBondContact O-N 2.79Å; H482-K486 VanDerWaalsContact O-N 3.1Å; I483-K486 PolarHBondContact O-N 2.9Å; I483-K486 VanDerWaalsContact O-N 3.11Å; V484-K486 PolarHBondContact O-N 3.37Å; K486-M489 HydrophobicContact CB-CE 4.43Å; K486-M489 PolarHBondContact O-N 2.9Å; K486-R490 PolarHBondContact O-N 3.37Å; K486-R490 VanDerWaalsContact O-N 3.11Å
487	M	98.6	Very high	98	Very high	7 Å²	7	70.2 Å²	70.2	3%	0.034	33%	0.332	C	S	.	.	H	α-helix	trans	-68.5	-38.7	178.2	-65.3	-167.5	78.7	0	0	112.3	L416 V418 W421 L423 L463 I483 V484 K485 R490 L491	L416-M487 HydrophobicContact CD2-CB 4.3Å; L416-M487 HydrophobicContact CD2-CE 4.29Å; L416-M487 VanDerWaalsContact CD2-O 3.29Å; L416-M487 WeakPolarHBondContact CD2-O 3.3Å; L416-M487 HydrophobicContact CG-CE 4.27Å; L416-M487 WeakPolarHBondContact O-CE 3.38Å; V418-M487 HydrophobicContact CB-CE 4.28Å; V418-M487 HydrophobicContact CG2-CE 4.11Å; W421-M487 HydrophobicContact CB-CE 4.02Å; W421-M487 HydrophobicContact CB-SD 3.55Å; W421-M487 VanDerWaalsContact CB-SD 3.55Å; W421-M487 VanDerWaalsContact O-CE 3.22Å; W421-M487 WeakPolarHBondContact O-CE 3.49Å; L423-M487 HydrophobicContact CB-CB 3.99Å; L423-M487 HydrophobicContact CB-CE 3.58Å; L423-M487 HydrophobicContact CB-SD 3.76Å; L423-M487 HydrophobicContact CD1-CB 4.4Å; L423-M487 HydrophobicContact CD2-CB 3.81Å; L423-M487 HydrophobicContact CG-CB 4.29Å; L463-M487 HydrophobicContact CD1-SD 3.37Å; L463-M487 WeakPolarHBondContact CD1-SD 3.3Å; I483-M487 HydrophobicContact CG2-CG 4.21Å; I483-M487 HydrophobicContact CG2-SD 4.12Å; I483-M487 WeakPolarHBondContact O-CG 3.32Å; I483-M487 PolarHBondContact O-N 3.3Å; V484-M487 PolarHBondContact O-N 3.11Å; K485-M487 PolarHBondContact O-N 3.44Å; M487-R490 PolarHBondContact O-N 3.11Å; M487-L491 PolarHBondContact O-N 2.86Å
488	L	98.7	Very high	98	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-63.6	-39.2	173.8	-69.2	173.1	0	0	0	112	Y405 W408 L423 T425 I461 V484 K485 R490 L491 V492	Y405-L488 HydrophobicContact CD2-CD1 4Å; Y405-L488 HydrophobicContact CE2-CD1 4.46Å; W408-L488 HydrophobicContact CB-CB 4.39Å; W408-L488 HydrophobicContact CB-CD2 3.84Å; W408-L488 HydrophobicContact CG-CD2 3.96Å; L423-L488 HydrophobicContact CD2-CD2 3.62Å; L423-L488 HydrophobicContact CD2-CG 4.04Å; T425-L488 HydrophobicContact CG2-CD2 3.92Å; I461-L488 HydrophobicContact CD1-CD1 4.04Å; I461-L488 HydrophobicContact CD1-CD2 4.28Å; I461-L488 HydrophobicContact CD1-CG 4.47Å; V484-L488 HydrophobicContact CG1-CD1 3.88Å; V484-L488 HydrophobicContact CG1-CG 4.27Å; V484-L488 VanDerWaalsContact O-CG 3.31Å; V484-L488 WeakPolarHBondContact O-CG 3.33Å; V484-L488 PolarHBondContact O-N 3.42Å; K485-L488 PolarHBondContact O-N 3.24Å; L488-R490 VanDerWaalsContact C-N 3.32Å; L488-R490 PolarHBondContact O-N 3.07Å; L488-L491 WeakPolarHBondContact O-CB 3.28Å; L488-L491 PolarHBondContact O-N 3Å; L488-V492 WeakPolarHBondContact O-CG2 3.39Å; L488-V492 PolarHBondContact O-N 2.77Å
489	M	98.4	Very high	98.1	Very high	94 Å²	94	65.6 Å²	65.6	46%	0.463	32%	0.319	S	S	.	.	H	α-helix	trans	-61.7	-40.7	173.2	-71.1	-173	-66.3	0	0	111.9	L407 K485 K486 L491 V492 Q493	L407-M489 HydrophobicContact CD1-CG 3.86Å; L407-M489 HydrophobicContact CD2-CG 4.44Å; K485-M489 WeakPolarHBondContact O-CG 3.28Å; K485-M489 PolarHBondContact O-N 3.01Å; K486-M489 HydrophobicContact CB-CE 4.43Å; K486-M489 PolarHBondContact O-N 2.9Å; M489-L491 VanDerWaalsContact C-N 3.34Å; M489-V492 WeakPolarHBondContact O-CB 3.5Å; M489-V492 PolarHBondContact O-N 3.45Å; M489-Q493 WeakPolarHBondContact O-CG 3.46Å; M489-Q493 PolarHBondContact O-N 2.84Å
490	R	98.1	Very high	98.1	Very high	80 Å²	80	65 Å²	65	30%	0.302	33%	0.325	S	S	.	.	H	α-helix	trans	-64.9	-39.4	174.9	-176	56.1	171.8	167.7	2.7	111.7	D384 L416 V418 K486 M487 L488 V492 Q493 Y494	D384-R490 IonicContact OD1-NH2 2.79Å; D384-R490 IonicContact OD2-CZ 3.72Å; D384-R490 IonicContact OD2-NE 3.76Å; D384-R490 PolarHBondContact OD2-NE 3.41Å; D384-R490 IonicContact OD2-NH2 3.25Å; D384-R490 PolarHBondContact OD2-NH2 3.41Å; L416-R490 HydrophobicContact CD1-CG 4.37Å; L416-R490 HydrophobicContact CD2-CB 3.9Å; L416-R490 HydrophobicContact CD2-CG 3.95Å; V418-R490 HydrophobicContact CG2-CG 4.31Å; K486-R490 PolarHBondContact O-N 3.37Å; K486-R490 VanDerWaalsContact O-N 3.11Å; M487-R490 PolarHBondContact O-N 3.11Å; L488-R490 VanDerWaalsContact C-N 3.32Å; L488-R490 PolarHBondContact O-N 3.07Å; R490-V492 VanDerWaalsContact C-N 3.33Å; R490-V492 PolarHBondContact O-N 2.58Å; R490-Q493 WeakPolarHBondContact O-CB 3.4Å; R490-Q493 PolarHBondContact O-N 3.28Å; R490-Q493 VanDerWaalsContact O-N 3.15Å; R490-Y494 HydrophobicContact CG-CD2 4.31Å; R490-Y494 HydrophobicContact CG-CE2 3.99Å; R490-Y494 PolarHBondContact NH2-OH 2.85Å; R490-Y494 WeakPolarHBondContact O-CD2 3.36Å; R490-Y494 PolarHBondContact O-N 3.03Å; R490-Y494 VanDerWaalsContact O-N 3.17Å
491	L	97.9	Very high	98.1	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-61.5	-40.4	174.3	-168.8	62.4	0	0	0	112.2	L386 I389 W408 A414 L416 M487 L488 M489 Q493 Y494 N495	L386-L491 HydrophobicContact CD1-CD1 3.57Å; I389-L491 HydrophobicContact CD1-CD1 3.81Å; I389-L491 HydrophobicContact CD1-CG 4.4Å; I389-L491 HydrophobicContact CG1-CD1 3.91Å; W408-L491 HydrophobicContact CD2-CD2 3.77Å; W408-L491 HydrophobicContact CD2-CG 4.22Å; W408-L491 HydrophobicContact CE3-CD2 4.31Å; W408-L491 HydrophobicContact CE3-CG 4.25Å; W408-L491 HydrophobicContact CG-CD2 4.23Å; W408-L491 HydrophobicContact CH2-CD2 4.2Å; W408-L491 HydrophobicContact CH2-CG 4.01Å; W408-L491 HydrophobicContact CZ2-CD2 3.63Å; W408-L491 HydrophobicContact CZ2-CG 3.95Å; W408-L491 HydrophobicContact CZ3-CG 4.15Å; A414-L491 HydrophobicContact CB-CD1 4.07Å; A414-L491 HydrophobicContact CB-CD2 3.81Å; L416-L491 HydrophobicContact CB-CD1 4.46Å; L416-L491 HydrophobicContact CD2-CB 4.4Å; M487-L491 PolarHBondContact O-N 2.86Å; L488-L491 WeakPolarHBondContact O-CB 3.28Å; L488-L491 PolarHBondContact O-N 3Å; M489-L491 VanDerWaalsContact C-N 3.34Å; L491-Q493 VanDerWaalsContact C-N 3.33Å; L491-Q493 PolarHBondContact O-N 3.2Å; L491-Y494 PolarHBondContact O-N 2.97Å; L491-N495 WeakPolarHBondContact O-CB 3.47Å; L491-N495 PolarHBondContact O-N 2.86Å
492	V	98.3	Very high	98.1	Very high	38 Å²	38	65 Å²	65	23%	0.23	32%	0.323	C	S	.	.	H	α-helix	trans	-61.2	-40.7	173.1	170.8	0	0	0	0	111.3	L407 W408 L488 M489 R490 N495 K496	L407-V492 WeakPolarHBondContact O-CG2 3.41Å; W408-V492 HydrophobicContact CE3-CG2 3.87Å; L488-V492 WeakPolarHBondContact O-CG2 3.39Å; L488-V492 PolarHBondContact O-N 2.77Å; M489-V492 WeakPolarHBondContact O-CB 3.5Å; M489-V492 PolarHBondContact O-N 3.45Å; R490-V492 VanDerWaalsContact C-N 3.33Å; R490-V492 PolarHBondContact O-N 2.58Å; V492-N495 PolarHBondContact O-N 2.73Å; V492-K496 WeakPolarHBondContact O-CG 3.41Å; V492-K496 PolarHBondContact O-N 2.94Å
493	Q	98.1	Very high	98.1	Very high	99 Å²	99	62.5 Å²	62.5	46%	0.463	31%	0.309	S	S	.	.	H	α-helix	trans	-60.3	-46	177.2	-70.3	173.1	-6.8	0	0	111.9	M489 R490 L491 N495 K496	M489-Q493 WeakPolarHBondContact O-CG 3.46Å; M489-Q493 PolarHBondContact O-N 2.84Å; R490-Q493 WeakPolarHBondContact O-CB 3.4Å; R490-Q493 PolarHBondContact O-N 3.28Å; R490-Q493 VanDerWaalsContact O-N 3.15Å; L491-Q493 VanDerWaalsContact C-N 3.33Å; L491-Q493 PolarHBondContact O-N 3.2Å; Q493-N495 PolarHBondContact O-N 2.97Å; Q493-K496 PolarHBondContact O-N 2.85Å
494	Y	98.3	Very high	98	Very high	19 Å²	19	63.4 Å²	63.4	8%	0.075	32%	0.316	C	S	.	.	H	α-helix	trans	-59.5	-47.5	173.8	-79.3	-65.8	0	0	0	111.8	Y100 I102 D384 L386 L416 R490 L491 K496 T497	Y100-Y494 HydrophobicContact CD2-CE1 4.38Å; Y100-Y494 AromaticContact CE2-CE1 3.95Å; Y100-Y494 HydrophobicContact CE2-CE1 3.95Å; I102-Y494 HydrophobicContact CD1-CD1 4.32Å; D384-Y494 PolarHBondContact OD1-OH 3.49Å; D384-Y494 VanDerWaalsContact OD1-OH 3.05Å; D384-Y494 PolarHBondContact OD2-OH 3.17Å; L386-Y494 HydrophobicContact CB-CD1 4.08Å; L386-Y494 HydrophobicContact CB-CD2 4.02Å; L386-Y494 HydrophobicContact CB-CE1 4.05Å; L386-Y494 HydrophobicContact CB-CE2 3.98Å; L386-Y494 HydrophobicContact CB-CG 4.06Å; L386-Y494 HydrophobicContact CD1-CD2 4.12Å; L386-Y494 HydrophobicContact CD1-CG 4.26Å; L386-Y494 HydrophobicContact CD2-CD1 4.01Å; L386-Y494 HydrophobicContact CD2-CG 3.88Å; L386-Y494 HydrophobicContact CG-CD2 4.45Å; L386-Y494 HydrophobicContact CG-CG 4.3Å; L416-Y494 HydrophobicContact CD1-CD2 4.06Å; L416-Y494 HydrophobicContact CD1-CE2 3.63Å; R490-Y494 HydrophobicContact CG-CD2 4.31Å; R490-Y494 HydrophobicContact CG-CE2 3.99Å; R490-Y494 PolarHBondContact NH2-OH 2.85Å; R490-Y494 WeakPolarHBondContact O-CD2 3.36Å; R490-Y494 PolarHBondContact O-N 3.03Å; R490-Y494 VanDerWaalsContact O-N 3.17Å; L491-Y494 PolarHBondContact O-N 2.97Å; Y494-K496 PolarHBondContact O-N 2.99Å; Y494-T497 PolarHBondContact O-N 3.06Å; Y494-T497 PolarHBondContact O-OG1 3.16Å
495	N	98.1	Very high	98	Very high	71 Å²	71	67.2 Å²	67.2	38%	0.38	35%	0.348	S	S	.	.	H	α-helix	trans	-62.6	-26.1	-177.3	-165.4	63	0	0	0	113.7	I389 W408 L491 V492 Q493 T497 A498	I389-N495 HydrophobicContact CD1-CB 3.86Å; W408-N495 HydrophobicContact CH2-CB 4Å; W408-N495 HydrophobicContact CZ3-CB 3.62Å; L491-N495 WeakPolarHBondContact O-CB 3.47Å; L491-N495 PolarHBondContact O-N 2.86Å; V492-N495 PolarHBondContact O-N 2.73Å; Q493-N495 PolarHBondContact O-N 2.97Å; N495-T497 PolarHBondContact O-N 3.24Å; N495-A498 WeakPolarHBondContact O-CB 3.32Å; N495-A498 PolarHBondContact O-N 3.16Å
496	K	97.6	Very high	97.8	Very high	167 Å²	167	69.9 Å²	69.9	73%	0.726	36%	0.36	S	S	*	.	H	α-helix	trans	-62.2	-26.3	174.6	-75.3	176.6	179.7	-173.8	0	113.2	V492 Q493 Y494	V492-K496 WeakPolarHBondContact O-CG 3.41Å; V492-K496 PolarHBondContact O-N 2.94Å; Q493-K496 PolarHBondContact O-N 2.85Å; Y494-K496 PolarHBondContact O-N 2.99Å
497	T	96.6	Very high	97.7	Very high	76 Å²	76	63.9 Å²	63.9	47%	0.466	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-1.7	179.5	66.3	0	0	0	0	112.9	H103 Y494 N495 V499	H103-T497 PolarHBondContact CD2-O 3.09Å; H103-T497 PolarHBondContact NE2-OG1 2.9Å; Y494-T497 PolarHBondContact O-N 3.06Å; Y494-T497 PolarHBondContact O-OG1 3.16Å; N495-T497 PolarHBondContact O-N 3.24Å; T497-V499 PolarHBondContact O-N 3.22Å
498	A	97.8	Very high	97.4	Very high	33 Å²	33	68.3 Å²	68.3	27%	0.273	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-72.3	131.1	-174.7	0	0	0	0	0	111.5	I102 N495	I102-A498 HydrophobicContact CB-CB 3.9Å; I102-A498 HydrophobicContact CG2-CB 4.36Å; I102-A498 CarbonylContact O-C 3.4Å; I102-A498 VanDerWaalsContact O-CA 3.27Å; I102-A498 WeakPolarHBondContact O-CA 3.47Å; N495-A498 WeakPolarHBondContact O-CB 3.32Å; N495-A498 PolarHBondContact O-N 3.16Å
499	V	97.7	Very high	97.3	Very high	57 Å²	57	74.8 Å²	74.8	35%	0.345	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-80.4	157.8	169.6	-52.7	0	0	0	0	110.3	I102 G105 Q107 T497	I102-V499 WeakPolarHBondContact O-CG2 3.35Å; I102-V499 PolarHBondContact O-N 2.74Å; G105-V499 VanDerWaalsContact N-CG2 3.29Å; Q107-V499 PolarHBondContact NE2-O 2.67Å; T497-V499 PolarHBondContact O-N 3.22Å
500	P	97.9	Very high	97.1	Very high	111 Å²	111	70.6 Å²	70.6	72%	0.721	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-57.3	146.2	176.2	-25.6	35.5	0	0	0	113.1	R502	P500-R502 PolarHBondContact O-N 2.72Å
501	V	98.4	Very high	97	Very high	35 Å²	35	67.6 Å²	67.6	21%	0.212	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-64.9	127.6	175.3	-176.3	0	0	0	0	110.2	Q107 H108 P391 I392	Q107-V501 HydrophobicContact CB-CG2 4.27Å; H108-V501 HydrophobicContact CB-CG1 3.56Å; P391-V501 HydrophobicContact CG-CG2 3.65Å; I392-V501 HydrophobicContact CD1-CB 4.29Å; I392-V501 HydrophobicContact CD1-CG1 3.65Å; I392-V501 HydrophobicContact CG1-CG1 4.2Å
502	R	97.7	Very high	96.9	Very high	88 Å²	88	67.6 Å²	67.6	33%	0.332	35%	0.352	S	S	.	.			trans	-102.2	98.1	174.7	-67.7	177.7	56	175.2	-5.1	110.1	G105 N117 P500	G105-R502 WeakPolarHBondContact O-CB 3.25Å; G105-R502 PolarHBondContact O-N 3.43Å; N117-R502 PolarHBondContact ND2-O 2.95Å; N117-R502 PolarHBondContact OD1-NH2 2.92Å; P500-R502 PolarHBondContact O-N 2.72Å
503	Y	97.6	Very high	96.7	Very high	70 Å²	70	71.9 Å²	71.9	28%	0.275	37%	0.37	S	S	.	.			trans	-137.7	73.5	177.6	-162.7	-109	0	0	0	110.9	H108 S109 R112 Q115	H108-Y503 AromaticContact CD2-CD1 3.61Å; H108-Y503 AromaticContact CD2-CD2 3.82Å; H108-Y503 AromaticContact CD2-CE1 3.66Å; H108-Y503 AromaticContact CD2-CE2 3.9Å; H108-Y503 AromaticContact CD2-CG 3.66Å; H108-Y503 AromaticContact CD2-CZ 3.79Å; H108-Y503 AromaticContact NE2-CE1 3.94Å; S109-Y503 PolarHBondContact OG-OH 3.08Å; R112-Y503 PolarHBondContact NE-OH 3.25Å; R112-Y503 VanDerWaalsContact NE-OH 3.11Å; Q115-Y503 VanDerWaalsContact NE2-CE2 3.31Å
504	P	97.6	Very high	96.4	Very high	43 Å²	43	75.3 Å²	75.3	28%	0.279	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-64.6	157.7	-176.2	28	-34.6	0	0	0	111.7	Q115 P116 N117	Q115-P504 HydrophobicContact CB-CG 4.49Å; Q115-P504 WeakPolarHBondContact CG-O 3.43Å; Q115-P504 PolarHBondContact NE2-O 3.36Å; P116-P504 HydrophobicContact CG-CB 4.18Å; P116-P504 HydrophobicContact CG-CG 4.21Å; N117-P504 HydrophobicContact CB-CG 3.81Å
505	A	97.1	Very high	95.9	Very high	83 Å²	83	77.8 Å²	77.8	69%	0.686	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-64.1	163.6	172.5	0	0	0	0	0	111.4	P116	P116-A505 VanDerWaalsContact CD-O 3.3Å; P116-A505 WeakPolarHBondContact CD-O 3.34Å
506	K	95.2	Very high	95.5	Very high	146 Å²	146	77.9 Å²	77.9	64%	0.635	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-61.3	142	172.2	64.1	174.9	-174.6	176.7	0	111	T114 L508	T114-K506 CarbonylContact O-C 3.55Å; T114-K506 WeakPolarHBondContact O-CA 3.17Å; T114-K506 WeakPolarHBondContact OG1-CB 3.46Å; K506-L508 HydrophobicContact CD-CD2 4.34Å
507	D	95.6	Very high	95.4	Very high	22 Å²	22	71.1 Å²	71.1	12%	0.118	39%	0.39	C	S	.	.			trans	-111.4	118.9	170.1	-177.4	-7.5	0	0	0	109.1	T114 P116 R509 S510 W522 Y523	T114-D507 PolarHBondContact O-N 2.69Å; P116-D507 HydrophobicContact CG-CB 4.35Å; D507-R509 PolarHBondContact O-N 2.91Å; D507-R509 WeakPolarHBondContact OD1-CB 3.11Å; D507-R509 WeakPolarHBondContact OD1-CG 3.48Å; D507-R509 PolarHBondContact OD1-N 3.09Å; D507-R509 IonicContact OD1-NE 2.69Å; D507-R509 PolarHBondContact OD1-NE 3.02Å; D507-R509 VanDerWaalsContact OD1-NE 3.16Å; D507-R509 IonicContact OD2-CZ 2.74Å; D507-R509 VanDerWaalsContact OD2-CZ 3.3Å; D507-R509 IonicContact OD2-NE 2.67Å; D507-R509 PolarHBondContact OD2-NE 3.27Å; D507-R509 IonicContact OD2-NH2 2.72Å; D507-R509 PolarHBondContact OD2-NH2 3.37Å; D507-S510 VanDerWaalsContact O-CB 3.3Å; D507-S510 WeakPolarHBondContact O-CB 3.14Å; D507-S510 PolarHBondContact O-N 3.45Å; D507-S510 PolarHBondContact O-OG 2.8Å; D507-W522 HydrophobicContact CB-CZ2 4.37Å; D507-W522 PolarHBondContact OD2-NE1 3.3Å; D507-Y523 WeakPolarHBondContact OD2-CE2 3.41Å; D507-Y523 PolarHBondContact OD2-OH 3.08Å
508	L	93.8	Very high	95.4	Very high	101 Å²	101	68.1 Å²	68.1	53%	0.529	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-70.3	-16.2	-176.5	-62.1	179.2	0	0	0	113.4	M183 K506 S510 N511	M183-L508 HydrophobicContact CE-CD2 4.17Å; K506-L508 HydrophobicContact CD-CD2 4.34Å; L508-S510 PolarHBondContact O-N 2.99Å; L508-N511 WeakPolarHBondContact O-CB 3.25Å; L508-N511 PolarHBondContact O-N 2.96Å; L508-N511 VanDerWaalsContact O-N 3.09Å
509	R	94.9	Very high	95.4	Very high	136 Å²	136	66.6 Å²	66.6	51%	0.513	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-65.3	-16.7	173.1	-64.3	176.9	-65.2	172.7	2.2	112.8	D507 N511 W522 Y523	D507-R509 PolarHBondContact O-N 2.91Å; D507-R509 WeakPolarHBondContact OD1-CB 3.11Å; D507-R509 WeakPolarHBondContact OD1-CG 3.48Å; D507-R509 PolarHBondContact OD1-N 3.09Å; D507-R509 IonicContact OD1-NE 2.69Å; D507-R509 PolarHBondContact OD1-NE 3.02Å; D507-R509 VanDerWaalsContact OD1-NE 3.16Å; D507-R509 IonicContact OD2-CZ 2.74Å; D507-R509 VanDerWaalsContact OD2-CZ 3.3Å; D507-R509 IonicContact OD2-NE 2.67Å; D507-R509 PolarHBondContact OD2-NE 3.27Å; D507-R509 IonicContact OD2-NH2 2.72Å; D507-R509 PolarHBondContact OD2-NH2 3.37Å; R509-N511 PolarHBondContact O-N 3.45Å; R509-W522 HydrophobicContact CB-CG 4.44Å; R509-Y523 PolarHBondContact NH2-OH 3.37Å
510	S	94.9	Very high	95.3	Very high	6 Å²	6	64 Å²	64	4%	0.042	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-66.6	-9.5	170.7	63.9	0	0	0	0	114.3	T114 D507 L508 P512 W519	T114-S510 VanDerWaalsContact CA-OG 3.3Å; T114-S510 WeakPolarHBondContact CA-OG 3.49Å; T114-S510 VanDerWaalsContact CB-OG 3.29Å; T114-S510 WeakPolarHBondContact CB-OG 3.23Å; T114-S510 WeakPolarHBondContact CG2-OG 2.98Å; D507-S510 VanDerWaalsContact O-CB 3.3Å; D507-S510 WeakPolarHBondContact O-CB 3.14Å; D507-S510 PolarHBondContact O-N 3.45Å; D507-S510 PolarHBondContact O-OG 2.8Å; L508-S510 PolarHBondContact O-N 2.99Å; S510-P512 WeakPolarHBondContact O-CD 3.48Å; S510-W519 VanDerWaalsContact O-CZ3 3.28Å; S510-W519 WeakPolarHBondContact O-CZ3 3.41Å
511	N	96.1	Very high	95.2	Very high	17 Å²	17	60.8 Å²	60.8	9%	0.091	32%	0.323	C	S	.	.			trans	-58.4	122.3	-178.6	-174.5	-15.6	0	0	0	110.4	L508 R509 Q513 Y514	L508-N511 WeakPolarHBondContact O-CB 3.25Å; L508-N511 PolarHBondContact O-N 2.96Å; L508-N511 VanDerWaalsContact O-N 3.09Å; R509-N511 PolarHBondContact O-N 3.45Å; N511-Q513 PolarHBondContact O-N 2.64Å; N511-Q513 WeakPolarHBondContact OD1-CG 3.47Å; N511-Q513 PolarHBondContact OD1-N 3.44Å; N511-Q513 VanDerWaalsContact OD1-N 3.09Å; N511-Y514 HydrophobicContact CB-CD2 3.76Å; N511-Y514 HydrophobicContact CB-CE2 3.73Å; N511-Y514 PolarHBondContact O-N 2.88Å
512	P	96.3	Very high	95.1	Very high	1 Å²	1	61 Å²	61	1%	0.006	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-55.4	-22.9	-179.9	-29.5	37.3	0	0	0	114.8	S510 Y514 N515 G517 W519	S510-P512 WeakPolarHBondContact O-CD 3.48Å; P512-Y514 PolarHBondContact O-N 2.81Å; P512-Y514 VanDerWaalsContact O-N 3.16Å; P512-N515 CarbonylContact O-C 3.3Å; P512-N515 PolarHBondContact O-N 2.99Å; P512-G517 VanDerWaalsContact O-CA 3.28Å; P512-G517 WeakPolarHBondContact O-CA 3.36Å; P512-G517 PolarHBondContact O-N 3.44Å; P512-W519 HydrophobicContact CG-CD2 3.35Å; P512-W519 HydrophobicContact CG-CE3 3.69Å; P512-W519 HydrophobicContact CG-CG 3.79Å; P512-W519 HydrophobicContact CG-CH2 4.01Å; P512-W519 HydrophobicContact CG-CZ2 3.69Å; P512-W519 HydrophobicContact CG-CZ3 4.01Å
513	Q	94.1	Very high	94.7	Very high	129 Å²	129	60.4 Å²	60.4	60%	0.603	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-58	-25.5	174.1	-68.6	-178.4	-12.6	0	0	113.2	G182 N511 N515	G182-Q513 PolarHBondContact O-NE2 2.8Å; N511-Q513 PolarHBondContact O-N 2.64Å; N511-Q513 WeakPolarHBondContact OD1-CG 3.47Å; N511-Q513 PolarHBondContact OD1-N 3.44Å; N511-Q513 VanDerWaalsContact OD1-N 3.09Å; Q513-N515 VanDerWaalsContact C-N 3.34Å
514	Y	92.4	Very high	93.8	Very high	170 Å²	170	61.8 Å²	61.8	67%	0.667	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-87.3	-4.2	175.6	-53.7	-48.9	0	0	0	113.4	N511 P512	N511-Y514 HydrophobicContact CB-CD2 3.76Å; N511-Y514 HydrophobicContact CB-CE2 3.73Å; N511-Y514 PolarHBondContact O-N 2.88Å; P512-Y514 PolarHBondContact O-N 2.81Å; P512-Y514 VanDerWaalsContact O-N 3.16Å
515	N	86.6	Confident	92.1	Very high	72 Å²	72	62.6 Å²	62.6	39%	0.385	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.6	52.3	-175.2	-168.4	38.7	0	0	0	111.7	P512 Q513 G517 V518	P512-N515 CarbonylContact O-C 3.3Å; P512-N515 PolarHBondContact O-N 2.99Å; Q513-N515 VanDerWaalsContact C-N 3.34Å; N515-G517 PolarHBondContact O-N 2.73Å; N515-V518 PolarHBondContact ND2-O 3.4Å; N515-V518 PolarHBondContact O-N 3.01Å
516	G	89.1	Confident	90.1	Very high	73 Å²	73	65.1 Å²	65.1	75%	0.753	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	18.3	174.1	0	0	0	0	0	115.2
517	G	95.3	Very high	88.2	Confident	25 Å²	25	65.4 Å²	65.4	26%	0.258	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	13.3	-175.4	0	0	0	0	0	114.5	G185 Y186 P512 N515	G185-G517 CarbonylContact C-O 3.6Å; G185-G517 WeakPolarHBondContact CA-O 3.32Å; Y186-G517 PolarHBondContact N-O 3.19Å; P512-G517 VanDerWaalsContact O-CA 3.28Å; P512-G517 WeakPolarHBondContact O-CA 3.36Å; P512-G517 PolarHBondContact O-N 3.44Å; N515-G517 PolarHBondContact O-N 2.73Å
518	V	96.9	Very high	86.2	Confident	12 Å²	12	68.1 Å²	68.1	7%	0.073	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-114.9	138.3	-177.3	-171.5	0	0	0	0	111.1	Y186 Y189 A194 W196 N515 G520	Y186-V518 WeakPolarHBondContact O-CA 3.42Å; Y186-V518 WeakPolarHBondContact O-CG1 3.43Å; Y189-V518 HydrophobicContact CE2-CG1 4.2Å; Y189-V518 VanDerWaalsContact OH-CG1 3.29Å; Y189-V518 WeakPolarHBondContact OH-CG1 3.4Å; A194-V518 HydrophobicContact CB-CG1 4.09Å; A194-V518 HydrophobicContact CB-CG2 3.91Å; W196-V518 HydrophobicContact CH2-CG2 4.3Å; W196-V518 HydrophobicContact CZ2-CG2 3.45Å; W196-V518 VanDerWaalsContact CZ2-CG2 3.45Å; N515-V518 PolarHBondContact ND2-O 3.4Å; N515-V518 PolarHBondContact O-N 3.01Å; V518-G520 PolarHBondContact O-N 2.95Å
519	W	97.6	Very high	84.2	Confident	1 Å²	1	68 Å²	68	0%	0.004	34%	0.335	C	S	.	.			trans	-74.1	100.7	169	-74	107.1	0	0	0	110.5	A113 T114 F147 L167 K177 E179 M183 G185 Y186 D187 Y189 S510 P512	A113-W519 HydrophobicContact CB-CE3 4.16Å; A113-W519 HydrophobicContact CB-CH2 3.94Å; A113-W519 HydrophobicContact CB-CZ2 4.43Å; A113-W519 HydrophobicContact CB-CZ3 3.8Å; T114-W519 HydrophobicContact CG2-CH2 4.07Å; T114-W519 HydrophobicContact CG2-CZ3 4.17Å; F147-W519 HydrophobicContact CE2-CB 4.47Å; F147-W519 HydrophobicContact CZ-CE3 4.33Å; L167-W519 HydrophobicContact CD1-CB 3.78Å; L167-W519 VanDerWaalsContact CD1-CD1 3.43Å; L167-W519 HydrophobicContact CD1-CD2 3.89Å; L167-W519 HydrophobicContact CD1-CG 3.43Å; L167-W519 VanDerWaalsContact CD1-CG 3.43Å; L167-W519 HydrophobicContact CG-CB 4.48Å; L167-W519 HydrophobicContact CG-CG 4.49Å; K177-W519 PolarHBondContact O-NE1 3.35Å; E179-W519 HydrophobicContact CB-CH2 4.45Å; E179-W519 HydrophobicContact CB-CZ2 4.5Å; E179-W519 HydrophobicContact CG-CH2 4.02Å; E179-W519 HydrophobicContact CG-CZ2 4.06Å; M183-W519 HydrophobicContact CG-CH2 3.62Å; M183-W519 HydrophobicContact CG-CZ2 4Å; M183-W519 HydrophobicContact SD-CH2 4.06Å; G185-W519 VanDerWaalsContact C-CD1 3.45Å; G185-W519 VanDerWaalsContact O-CD1 3.25Å; G185-W519 PolarHBondContact O-NE1 2.89Å; Y186-W519 PolarHBondContact O-N 3.26Å; D187-W519 HydrophobicContact CB-CB 4.35Å; Y189-W519 WeakPolarHBondContact CE2-O 3.37Å; Y189-W519 PolarHBondContact OH-O 2.87Å; S510-W519 VanDerWaalsContact O-CZ3 3.28Å; S510-W519 WeakPolarHBondContact O-CZ3 3.41Å; P512-W519 HydrophobicContact CG-CD2 3.35Å; P512-W519 HydrophobicContact CG-CE3 3.69Å; P512-W519 HydrophobicContact CG-CG 3.79Å; P512-W519 HydrophobicContact CG-CH2 4.01Å; P512-W519 HydrophobicContact CG-CZ2 3.69Å; P512-W519 HydrophobicContact CG-CZ3 4.01Å
520	G	96.2	Very high	82.1	Confident	3 Å²	3	67.3 Å²	67.3	3%	0.031	33%	0.332	C	S	.	.			trans	-144.3	-177.8	-178.6	0	0	0	0	0	112.9	Y189 V518 W522	Y189-G520 WeakPolarHBondContact OH-CA 3.44Å; Y189-G520 PolarHBondContact OH-N 2.81Å; V518-G520 PolarHBondContact O-N 2.95Å; G520-W522 PolarHBondContact O-N 3.39Å
521	P	96.4	Very high	80.1	Confident	44 Å²	44	71.5 Å²	71.5	29%	0.286	35%	0.354	S	S	.	.			trans	-55.5	136.7	177.5	-22.6	31.6	0	0	0	112.4	F147 L153	F147-P521 VanDerWaalsContact O-CA 3.23Å; F147-P521 WeakPolarHBondContact O-CA 3.41Å; F147-P521 WeakPolarHBondContact O-CB 3.47Å; F147-P521 WeakPolarHBondContact O-CG 3.31Å; L153-P521 HydrophobicContact CD1-CG 4.08Å; L153-P521 HydrophobicContact CD2-CG 4.1Å; L153-P521 HydrophobicContact CG-CG 4.27Å
522	W	95.1	Very high	78.3	Confident	40 Å²	40	74.5 Å²	74.5	15%	0.152	37%	0.367	C	S	.	.			trans	-127.4	-8.6	177.6	70.3	91.3	0	0	0	113.3	A113 Q115 P116 F147 Y148 D507 R509 G520	A113-W522 WeakPolarHBondContact O-CH2 3.1Å; Q115-W522 WeakPolarHBondContact O-CH2 3.07Å; P116-W522 HydrophobicContact CB-CZ2 4.18Å; F147-W522 HydrophobicContact CD2-CZ3 4.17Å; F147-W522 HydrophobicContact CE2-CE3 4.3Å; F147-W522 AromaticContact CE2-CZ3 3.64Å; F147-W522 HydrophobicContact CE2-CZ3 3.64Å; F147-W522 HydrophobicContact CZ-CZ3 4.11Å; Y148-W522 PolarHBondContact O-N 3.04Å; D507-W522 HydrophobicContact CB-CZ2 4.37Å; D507-W522 PolarHBondContact OD2-NE1 3.3Å; R509-W522 HydrophobicContact CB-CG 4.44Å; G520-W522 PolarHBondContact O-N 3.39Å
523	Y	90.6	Very high	76.3	Confident	74 Å²	74	81 Å²	81	29%	0.29	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-93.1	122.9	166.9	-85.9	-109.2	0	0	0	109.2	P116 Y148 D507 R509	P116-Y523 HydrophobicContact CB-CD2 4.34Å; P116-Y523 HydrophobicContact CB-CE2 3.58Å; P116-Y523 HydrophobicContact CG-CE2 4.49Å; Y148-Y523 AromaticContact CD2-CD2 3.54Å; Y148-Y523 HydrophobicContact CD2-CD2 3.54Å; Y148-Y523 HydrophobicContact CD2-CE2 4.02Å; Y148-Y523 AromaticContact CD2-CG 3.8Å; Y148-Y523 HydrophobicContact CD2-CG 3.8Å; Y148-Y523 HydrophobicContact CE2-CD1 4.38Å; Y148-Y523 HydrophobicContact CE2-CD2 4.19Å; Y148-Y523 HydrophobicContact CE2-CG 4.08Å; Y148-Y523 PolarHBondContact O-N 3.31Å; D507-Y523 WeakPolarHBondContact OD2-CE2 3.41Å; D507-Y523 PolarHBondContact OD2-OH 3.08Å; R509-Y523 PolarHBondContact NH2-OH 3.37Å
524	K	77.2	Confident	74.8	Confident	100 Å²	100	80.5 Å²	80.5	44%	0.435	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-81.6	144.3	169.5	-60.4	-169.8	176.5	-154.1	0	109.3	E529 E532	K524-E529 HydrophobicContact CB-CG 3.87Å; K524-E529 HydrophobicContact CD-CG 4.28Å; K524-E532 IonicContact NZ-OE1 3.2Å; K524-E532 PolarHBondContact NZ-OE1 3.39Å; K524-E532 IonicContact NZ-OE2 2.58Å; K524-E532 PolarHBondContact NZ-OE2 3.04Å
525	D	62.7	Low	73.4	Confident	59 Å²	59	78.3 Å²	78.3	32%	0.316	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-75.8	142.4	168.9	-73.7	-38.1	0	0	0	109.1	K527 Q528 E529	D525-K527 PolarHBondContact O-N 3.31Å; D525-Q528 WeakPolarHBondContact O-CA 3.47Å; D525-Q528 VanDerWaalsContact O-CB 3.28Å; D525-Q528 WeakPolarHBondContact O-CB 3.4Å; D525-Q528 PolarHBondContact O-N 3.16Å; D525-E529 PolarHBondContact O-N 3.06Å; D525-E529 VanDerWaalsContact O-N 3.07Å
526	E	55.3	Low	72.6	Confident	137 Å²	137	83.6 Å²	83.6	64%	0.64	41%	0.406	S	S	*	.	H	α-helix	trans	-55	-28	-178.5	-67.2	-179.9	179.6	0	0	113.4	R530	E526-R530 WeakPolarHBondContact O-CG 3.49Å; E526-R530 PolarHBondContact O-N 3.25Å; E526-R530 IonicContact OE2-NH1 3.18Å
527	K	54.3	Low	71.5	Confident	152 Å²	152	86.9 Å²	86.9	66%	0.661	40%	0.396	S	S	*	.	H	α-helix	trans	-68.8	-35.3	173.1	-78.5	-174.8	176.5	-179.4	0	112.3	D525 N531	D525-K527 PolarHBondContact O-N 3.31Å; K527-N531 WeakPolarHBondContact O-CB 3.26Å; K527-N531 PolarHBondContact O-N 3Å; K527-N531 PolarHBondContact O-OD1 3.4Å
528	Q	53.6	Low	70	Confident	78 Å²	78	89.9 Å²	89.9	36%	0.364	41%	0.407	S	S	.	.	H	α-helix	trans	-73.9	-38	177.6	-129.6	171.8	-2.3	0	0	110.8	D525 N531 E532	D525-Q528 WeakPolarHBondContact O-CA 3.47Å; D525-Q528 VanDerWaalsContact O-CB 3.28Å; D525-Q528 WeakPolarHBondContact O-CB 3.4Å; D525-Q528 PolarHBondContact O-N 3.16Å; Q528-N531 PolarHBondContact O-N 2.9Å; Q528-E532 VanDerWaalsContact O-CB 3.29Å; Q528-E532 WeakPolarHBondContact O-CB 3.26Å; Q528-E532 VanDerWaalsContact O-CG 3.29Å; Q528-E532 WeakPolarHBondContact O-CG 3.39Å; Q528-E532 PolarHBondContact O-N 3.5Å
529	E	52.7	Low	68.5	Low	98 Å²	98	93.6 Å²	93.6	46%	0.458	43%	0.426	S	S	.	.	H	α-helix	trans	-60.9	-45.9	169.9	-71.2	-177.9	161	0	0	111.3	K524 D525 E532 E533	K524-E529 HydrophobicContact CB-CG 3.87Å; K524-E529 HydrophobicContact CD-CG 4.28Å; D525-E529 PolarHBondContact O-N 3.06Å; D525-E529 VanDerWaalsContact O-N 3.07Å; E529-E532 PolarHBondContact O-N 3.3Å; E529-E533 VanDerWaalsContact O-CB 3.27Å; E529-E533 WeakPolarHBondContact O-CB 3.38Å; E529-E533 VanDerWaalsContact O-CG 3.3Å; E529-E533 WeakPolarHBondContact O-CG 3.41Å; E529-E533 PolarHBondContact O-N 3.23Å
530	R	50.9	Low	66.9	Low	122 Å²	122	98.8 Å²	98.8	46%	0.46	45%	0.453	S	S	.	.	H	α-helix	trans	-61.8	-43.5	174.8	-77.4	-173.8	-67.4	-101.7	-5.1	113.1	E526 E533 E534	E526-R530 WeakPolarHBondContact O-CG 3.49Å; E526-R530 PolarHBondContact O-N 3.25Å; E526-R530 IonicContact OE2-NH1 3.18Å; R530-E533 PolarHBondContact O-N 3.37Å; R530-E534 WeakPolarHBondContact O-CB 3.04Å; R530-E534 WeakPolarHBondContact O-CG 3.3Å; R530-E534 PolarHBondContact O-N 2.86Å
531	N	53.4	Low	65.2	Low	94 Å²	94	103 Å²	103	50%	0.503	47%	0.471	S	S	.	.	H	α-helix	trans	-69.1	-39.5	179.6	-70.8	-0.2	0	0	0	112	K527 Q528 E534 E535	K527-N531 WeakPolarHBondContact O-CB 3.26Å; K527-N531 PolarHBondContact O-N 3Å; K527-N531 PolarHBondContact O-OD1 3.4Å; Q528-N531 PolarHBondContact O-N 2.9Å; N531-E534 PolarHBondContact O-N 2.96Å; N531-E535 WeakPolarHBondContact O-CB 3.35Å; N531-E535 WeakPolarHBondContact O-CG 3.2Å; N531-E535 PolarHBondContact O-N 3.17Å
532	E	57.1	Low	63.5	Low	80 Å²	80	106.5 Å²	106.5	37%	0.374	49%	0.486	S	S	.	.	H	α-helix	trans	-69	-34.7	174.2	-74.7	-179.9	-168.2	0	0	111.5	K524 Q528 E529 R536	K524-E532 IonicContact NZ-OE1 3.2Å; K524-E532 PolarHBondContact NZ-OE1 3.39Å; K524-E532 IonicContact NZ-OE2 2.58Å; K524-E532 PolarHBondContact NZ-OE2 3.04Å; Q528-E532 VanDerWaalsContact O-CB 3.29Å; Q528-E532 WeakPolarHBondContact O-CB 3.26Å; Q528-E532 VanDerWaalsContact O-CG 3.29Å; Q528-E532 WeakPolarHBondContact O-CG 3.39Å; Q528-E532 PolarHBondContact O-N 3.5Å; E529-E532 PolarHBondContact O-N 3.3Å; E532-R536 WeakPolarHBondContact O-CB 3.48Å; E532-R536 PolarHBondContact O-N 3.06Å
533	E	55.7	Low	61.6	Low	137 Å²	137	109.3 Å²	109.3	64%	0.64	50%	0.504	S	S	*	.	H	α-helix	trans	-66.6	-42.5	171.6	-80.6	-176	165.6	0	0	111.6	E529 R530 R536 Y537	E529-E533 VanDerWaalsContact O-CB 3.27Å; E529-E533 WeakPolarHBondContact O-CB 3.38Å; E529-E533 VanDerWaalsContact O-CG 3.3Å; E529-E533 WeakPolarHBondContact O-CG 3.41Å; E529-E533 PolarHBondContact O-N 3.23Å; R530-E533 PolarHBondContact O-N 3.37Å; E533-R536 PolarHBondContact O-N 3.1Å; E533-Y537 WeakPolarHBondContact O-CB 3.02Å; E533-Y537 PolarHBondContact O-N 3.1Å
534	E	61.2	Low	59.8	Low	120 Å²	120	111.5 Å²	111.5	56%	0.561	52%	0.517	S	S	*	.	H	α-helix	trans	-64.9	-42.6	173.6	-80.4	-175.9	177.3	0	0	111.8	R530 N531 Y537 N538	R530-E534 WeakPolarHBondContact O-CB 3.04Å; R530-E534 WeakPolarHBondContact O-CG 3.3Å; R530-E534 PolarHBondContact O-N 2.86Å; N531-E534 PolarHBondContact O-N 2.96Å; E534-Y537 PolarHBondContact O-N 3.09Å; E534-N538 WeakPolarHBondContact O-CB 3.36Å; E534-N538 PolarHBondContact O-N 2.7Å; E534-N538 PolarHBondContact O-ND2 2.93Å
535	E	64.5	Low	58.7	Low	123 Å²	123	112 Å²	112	58%	0.575	52%	0.519	S	S	*	.	H	α-helix	trans	-65.6	-40.9	174	-83.2	-171.5	164.6	0	0	111.8	N531 Y537 N538 N539	N531-E535 WeakPolarHBondContact O-CB 3.35Å; N531-E535 WeakPolarHBondContact O-CG 3.2Å; N531-E535 PolarHBondContact O-N 3.17Å; E535-Y537 VanDerWaalsContact C-N 3.34Å; E535-N538 PolarHBondContact O-N 2.04Å; E535-N539 WeakPolarHBondContact O-CB 3.44Å; E535-N539 PolarHBondContact O-N 3.09Å; E535-N539 PolarHBondContact O-ND2 3.29Å
536	R	67.8	Low	58.1	Low	184 Å²	184	111.2 Å²	111.2	69%	0.694	52%	0.524	S	S	*	.	H	α-helix	trans	-66.3	-39.2	175.7	-171.3	-178.4	-101.2	-174.6	-5	110.3	E532 E533 L540	E532-R536 WeakPolarHBondContact O-CB 3.48Å; E532-R536 PolarHBondContact O-N 3.06Å; E533-R536 PolarHBondContact O-N 3.1Å; R536-L540 HydrophobicContact CG-CD1 4.2Å; R536-L540 VanDerWaalsContact O-CB 3.28Å; R536-L540 WeakPolarHBondContact O-CB 3.39Å; R536-L540 WeakPolarHBondContact O-CD1 3.34Å; R536-L540 WeakPolarHBondContact O-CG 3.44Å; R536-L540 PolarHBondContact O-N 3Å
537	Y	67.1	Low	57.7	Low	141 Å²	141	111.7 Å²	111.7	55%	0.553	53%	0.525	S	S	*	.	H	α-helix	trans	-65.6	-45.3	174.1	-167.9	-93.6	0	0	0	111.4	E533 E534 E535 L540 F541	E533-Y537 WeakPolarHBondContact O-CB 3.02Å; E533-Y537 PolarHBondContact O-N 3.1Å; E534-Y537 PolarHBondContact O-N 3.09Å; E535-Y537 VanDerWaalsContact C-N 3.34Å; Y537-L540 PolarHBondContact O-N 3.04Å; Y537-F541 AromaticContact CD1-CD2 3.7Å; Y537-F541 HydrophobicContact CD1-CD2 3.7Å; Y537-F541 AromaticContact CD1-CE2 3.99Å; Y537-F541 HydrophobicContact CD1-CE2 3.99Å; Y537-F541 AromaticContact CE1-CD2 3.36Å; Y537-F541 HydrophobicContact CE1-CD2 3.36Å; Y537-F541 AromaticContact CE1-CE2 3.15Å; Y537-F541 HydrophobicContact CE1-CE2 3.15Å; Y537-F541 HydrophobicContact CE1-CG 4.33Å; Y537-F541 AromaticContact CE1-CZ 3.96Å; Y537-F541 HydrophobicContact CE1-CZ 3.96Å; Y537-F541 HydrophobicContact CE2-CD2 4.44Å; Y537-F541 HydrophobicContact CE2-CE2 4.07Å; Y537-F541 HydrophobicContact CG-CD2 4.39Å; Y537-F541 AromaticContact CZ-CD2 3.8Å; Y537-F541 AromaticContact CZ-CE2 3.22Å; Y537-F541 WeakPolarHBondContact O-CB 3.2Å; Y537-F541 PolarHBondContact O-N 3.28Å; Y537-F541 VanDerWaalsContact OH-CE2 3.23Å; Y537-F541 WeakPolarHBondContact OH-CE2 3.31Å
538	N	63.9	Low	57.4	Low	88 Å²	88	111.7 Å²	111.7	47%	0.471	52%	0.52	S	S	.	.	H	α-helix	trans	-64	-42.2	176.1	-76	-27.1	0	0	0	111.7	E534 E535 F541 I542	E534-N538 WeakPolarHBondContact O-CB 3.36Å; E534-N538 PolarHBondContact O-N 2.7Å; E534-N538 PolarHBondContact O-ND2 2.93Å; E535-N538 PolarHBondContact O-N 2.04Å; N538-F541 WeakPolarHBondContact O-CB 3.44Å; N538-F541 PolarHBondContact O-N 3.43Å; N538-I542 WeakPolarHBondContact O-CB 3.48Å; N538-I542 VanDerWaalsContact O-CG1 3.22Å; N538-I542 WeakPolarHBondContact O-CG1 3.25Å; N538-I542 PolarHBondContact O-N 3.09Å
539	N	65.9	Low	56.9	Low	90 Å²	90	118.1 Å²	118.1	48%	0.481	54%	0.541	S	S	.	.	H	α-helix	trans	-67.9	-35.6	175.4	-77.1	-37.4	0	0	0	112.3	E535 N543	E535-N539 WeakPolarHBondContact O-CB 3.44Å; E535-N539 PolarHBondContact O-N 3.09Å; E535-N539 PolarHBondContact O-ND2 3.29Å; N539-N543 VanDerWaalsContact O-CB 3.26Å; N539-N543 WeakPolarHBondContact O-CB 3.35Å; N539-N543 PolarHBondContact O-N 3.27Å; N539-N543 PolarHBondContact O-ND2 2.73Å
540	L	62.6	Low	56.5	Low	110 Å²	110	123.5 Å²	123.5	58%	0.576	56%	0.557	S	S	*	*	H	α-helix	trans	-67.2	-41.1	170.8	-76.9	163.5	0	0	0	111.2	R536 Y537 N543 H544	R536-L540 HydrophobicContact CG-CD1 4.2Å; R536-L540 VanDerWaalsContact O-CB 3.28Å; R536-L540 WeakPolarHBondContact O-CB 3.39Å; R536-L540 WeakPolarHBondContact O-CD1 3.34Å; R536-L540 WeakPolarHBondContact O-CG 3.44Å; R536-L540 PolarHBondContact O-N 3Å; Y537-L540 PolarHBondContact O-N 3.04Å; L540-N543 PolarHBondContact O-N 3.45Å; L540-H544 WeakPolarHBondContact O-CB 3.27Å; L540-H544 PolarHBondContact O-N 2.74Å
541	F	60.9	Low	56.2	Low	93 Å²	93	125 Å²	125	41%	0.408	57%	0.567	S	S	.	*	H	α-helix	trans	-62.7	-48.4	175.5	-108.1	-103.7	0	0	0	112	Y537 N538 N543 H544 F545	Y537-F541 AromaticContact CD1-CD2 3.7Å; Y537-F541 HydrophobicContact CD1-CD2 3.7Å; Y537-F541 AromaticContact CD1-CE2 3.99Å; Y537-F541 HydrophobicContact CD1-CE2 3.99Å; Y537-F541 AromaticContact CE1-CD2 3.36Å; Y537-F541 HydrophobicContact CE1-CD2 3.36Å; Y537-F541 AromaticContact CE1-CE2 3.15Å; Y537-F541 HydrophobicContact CE1-CE2 3.15Å; Y537-F541 HydrophobicContact CE1-CG 4.33Å; Y537-F541 AromaticContact CE1-CZ 3.96Å; Y537-F541 HydrophobicContact CE1-CZ 3.96Å; Y537-F541 HydrophobicContact CE2-CD2 4.44Å; Y537-F541 HydrophobicContact CE2-CE2 4.07Å; Y537-F541 HydrophobicContact CG-CD2 4.39Å; Y537-F541 AromaticContact CZ-CD2 3.8Å; Y537-F541 AromaticContact CZ-CE2 3.22Å; Y537-F541 WeakPolarHBondContact O-CB 3.2Å; Y537-F541 PolarHBondContact O-N 3.28Å; Y537-F541 VanDerWaalsContact OH-CE2 3.23Å; Y537-F541 WeakPolarHBondContact OH-CE2 3.31Å; N538-F541 WeakPolarHBondContact O-CB 3.44Å; N538-F541 PolarHBondContact O-N 3.43Å; F541-N543 VanDerWaalsContact C-N 3.33Å; F541-N543 PolarHBondContact O-N 3.21Å; F541-H544 PolarHBondContact O-N 2.84Å; F541-F545 HydrophobicContact CD1-CD2 4.08Å; F541-F545 AromaticContact CD1-CE2 3.81Å; F541-F545 HydrophobicContact CD1-CE2 3.81Å; F541-F545 AromaticContact CE1-CE2 3.88Å; F541-F545 HydrophobicContact CE1-CE2 3.88Å; F541-F545 WeakPolarHBondContact O-CD2 3.35Å; F541-F545 PolarHBondContact O-N 2.89Å
542	I	60.1	Low	55.8	Low	116 Å²	116	125.9 Å²	125.9	60%	0.595	57%	0.572	S	S	*	*	H	α-helix	trans	-62.2	-41.2	177.4	-69.4	167.1	0	0	0	110.5	N538 H544 G546	N538-I542 WeakPolarHBondContact O-CB 3.48Å; N538-I542 VanDerWaalsContact O-CG1 3.22Å; N538-I542 WeakPolarHBondContact O-CG1 3.25Å; N538-I542 PolarHBondContact O-N 3.09Å; I542-H544 PolarHBondContact O-N 3.47Å; I542-G546 WeakPolarHBondContact O-CA 3.37Å; I542-G546 PolarHBondContact O-N 3.29Å
543	N	56	Low	55.3	Low	100 Å²	100	129.6 Å²	129.6	54%	0.535	59%	0.587	S	S	.	*	H	α-helix	trans	-68.7	-32.2	175.7	-81.8	-48.4	0	0	0	113.3	N539 L540 F541 K547	N539-N543 VanDerWaalsContact O-CB 3.26Å; N539-N543 WeakPolarHBondContact O-CB 3.35Å; N539-N543 PolarHBondContact O-N 3.27Å; N539-N543 PolarHBondContact O-ND2 2.73Å; L540-N543 PolarHBondContact O-N 3.45Å; F541-N543 VanDerWaalsContact C-N 3.33Å; F541-N543 PolarHBondContact O-N 3.21Å; N543-K547 WeakPolarHBondContact O-CB 3.42Å; N543-K547 VanDerWaalsContact O-CG 3.3Å; N543-K547 WeakPolarHBondContact O-CG 3.45Å; N543-K547 PolarHBondContact O-N 2.52Å
544	H	53.8	Low	54.9	Low	119 Å²	119	126 Å²	126	55%	0.551	58%	0.577	S	S	*	*	H	α-helix	trans	-75.4	-39.3	178.6	-152.2	82.6	0	0	0	112.3	L540 F541 I542 R548	L540-H544 WeakPolarHBondContact O-CB 3.27Å; L540-H544 PolarHBondContact O-N 2.74Å; F541-H544 PolarHBondContact O-N 2.84Å; I542-H544 PolarHBondContact O-N 3.47Å; H544-R548 PolarHBondContact O-N 3.05Å
545	F	53	Low	54.2	Low	112 Å²	112	129 Å²	129	49%	0.491	58%	0.583	S	S	.	*	H	α-helix	trans	-81	-32.8	175.9	-80.8	-83.4	0	0	0	113.5	F541 K547 R548 R549	F541-F545 HydrophobicContact CD1-CD2 4.08Å; F541-F545 AromaticContact CD1-CE2 3.81Å; F541-F545 HydrophobicContact CD1-CE2 3.81Å; F541-F545 AromaticContact CE1-CE2 3.88Å; F541-F545 HydrophobicContact CE1-CE2 3.88Å; F541-F545 WeakPolarHBondContact O-CD2 3.35Å; F541-F545 PolarHBondContact O-N 2.89Å; F545-K547 VanDerWaalsContact C-N 3.34Å; F545-K547 PolarHBondContact O-N 3.43Å; F545-R548 PolarHBondContact O-N 3.03Å; F545-R549 PolarHBondContact O-N 3.05Å
546	G	49.5	Very low	53.3	Low	41 Å²	41	129 Å²	129	42%	0.423	59%	0.587	S	S	.	*	H	α-helix	trans	-60.9	-41.3	171.5	0	0	0	0	0	112.2	I542 R549 W550	I542-G546 WeakPolarHBondContact O-CA 3.37Å; I542-G546 PolarHBondContact O-N 3.29Å; G546-R549 PolarHBondContact O-N 3.32Å; G546-W550 PolarHBondContact O-N 3.26Å; G546-W550 VanDerWaalsContact O-N 3.1Å
547	K	47.8	Very low	52.4	Low	148 Å²	148	126.1 Å²	126.1	64%	0.643	58%	0.584	S	S	*	*	H	α-helix	trans	-69.8	-32	174	-75.9	178.1	-179.8	176.7	0	113.4	N543 F545 K551	N543-K547 WeakPolarHBondContact O-CB 3.42Å; N543-K547 VanDerWaalsContact O-CG 3.3Å; N543-K547 WeakPolarHBondContact O-CG 3.45Å; N543-K547 PolarHBondContact O-N 2.52Å; F545-K547 VanDerWaalsContact C-N 3.34Å; F545-K547 PolarHBondContact O-N 3.43Å; K547-K551 WeakPolarHBondContact O-CB 3.45Å; K547-K551 PolarHBondContact O-N 3.46Å
548	R	47.7	Very low	51.5	Low	151 Å²	151	127.9 Å²	127.9	57%	0.57	60%	0.595	S	S	*	*	H	α-helix	trans	-69.9	-38.8	172.7	-85.3	-177.7	168.7	-177.3	-3.1	112.3	H544 F545 K551 N552	H544-R548 PolarHBondContact O-N 3.05Å; F545-R548 PolarHBondContact O-N 3.03Å; R548-K551 PolarHBondContact O-N 3.13Å; R548-N552 PolarHBondContact O-N 3.19Å; R548-N552 VanDerWaalsContact O-N 3.15Å
549	R	44.1	Very low	50.8	Low	213 Å²	213	130.2 Å²	130.2	80%	0.804	61%	0.607	S	S	*	*	H	α-helix	trans	-69.5	-33.8	177.9	-139.3	172.3	177	176.6	-1.8	112.1	F545 G546 K553	F545-R549 PolarHBondContact O-N 3.05Å; G546-R549 PolarHBondContact O-N 3.32Å; R549-K553 PolarHBondContact O-N 3.11Å
550	W	42.6	Very low	49.9	Very low	211 Å²	211	134.9 Å²	134.9	80%	0.799	62%	0.623	S	S	*	*	H	α-helix	trans	-73.3	-39.9	173.1	-117.3	59.2	0	0	0	113.5	G546 N552 K553 S554	G546-W550 PolarHBondContact O-N 3.26Å; G546-W550 VanDerWaalsContact O-N 3.1Å; W550-N552 VanDerWaalsContact C-N 3.32Å; W550-N552 PolarHBondContact O-N 3.31Å; W550-K553 PolarHBondContact O-N 3.46Å; W550-S554 PolarHBondContact O-N 2.97Å; W550-S554 PolarHBondContact O-OG 2.72Å
551	K	45.8	Very low	49.3	Very low	153 Å²	153	140.7 Å²	140.7	67%	0.665	64%	0.637	S	S	*	*	H	α-helix	trans	-65.2	-31.3	175.7	-84.9	-175.7	174.4	-179.2	0	113.5	K547 R548 S554 R555	K547-K551 WeakPolarHBondContact O-CB 3.45Å; K547-K551 PolarHBondContact O-N 3.46Å; R548-K551 PolarHBondContact O-N 3.13Å; K551-S554 PolarHBondContact O-OG 3.46Å; K551-R555 PolarHBondContact O-N 2.89Å
552	N	45	Very low	48.8	Very low	113 Å²	113	145.8 Å²	145.8	60%	0.604	66%	0.659	S	S	*	*	H	α-helix	trans	-77.5	-33.3	175.1	-79	-4.2	0	0	0	112.9	R548 W550 N556	R548-N552 PolarHBondContact O-N 3.19Å; R548-N552 VanDerWaalsContact O-N 3.15Å; W550-N552 VanDerWaalsContact C-N 3.32Å; W550-N552 PolarHBondContact O-N 3.31Å; N552-N556 PolarHBondContact O-N 3.31Å
553	K	45.6	Very low	48.3	Very low	158 Å²	158	144.6 Å²	144.6	69%	0.687	67%	0.666	S	S	*	*	H	α-helix	trans	-70.6	-37.2	173.3	-117.8	-179	179.4	-177.1	0	112.3	R549 W550 I557	R549-K553 PolarHBondContact O-N 3.11Å; W550-K553 PolarHBondContact O-N 3.46Å; K553-I557 WeakPolarHBondContact O-CG1 3.41Å; K553-I557 PolarHBondContact O-N 2.72Å
554	S	47.4	Very low	48.1	Very low	61 Å²	61	148.7 Å²	148.7	43%	0.427	68%	0.682	S	S	.	*	H	α-helix	trans	-73.9	-25.9	178.4	65.5	0	0	0	0	113.9	W550 K551 K558	W550-S554 PolarHBondContact O-N 2.97Å; W550-S554 PolarHBondContact O-OG 2.72Å; K551-S554 PolarHBondContact O-OG 3.46Å; S554-K558 PolarHBondContact O-N 3.36Å
555	R	46.6	Very low	47.5	Very low	183 Å²	183	155.7 Å²	155.7	69%	0.691	71%	0.714	S	S	*	*	H	α-helix	trans	-72.7	-36.2	173.7	-97.5	-179.3	163.6	174.8	-5.6	112.6	K551 I557 L559	K551-R555 PolarHBondContact O-N 2.89Å; R555-I557 VanDerWaalsContact C-N 3.35Å; R555-I557 PolarHBondContact O-N 3.21Å; R555-L559 PolarHBondContact O-N 2.83Å
556	N	45.9	Very low	47.2	Very low	124 Å²	124	157.9 Å²	157.9	66%	0.663	73%	0.726	S	S	*	*	H	α-helix	trans	-73.7	-21.3	176.6	-85.1	-7.7	0	0	0	114.2	N552	N552-N556 PolarHBondContact O-N 3.31Å
557	I	49.2	Very low	47.1	Very low	123 Å²	123	164 Å²	164	63%	0.631	74%	0.742	S	S	*	*	H	α-helix	trans	-84.8	-26.2	176.8	-66	170	0	0	0	112	K553 R555	K553-I557 WeakPolarHBondContact O-CG1 3.41Å; K553-I557 PolarHBondContact O-N 2.72Å; R555-I557 VanDerWaalsContact C-N 3.35Å; R555-I557 PolarHBondContact O-N 3.21Å
558	K	48.1	Very low	47.1	Very low	179 Å²	179	164.9 Å²	164.9	78%	0.778	75%	0.747	S	S	*	*	H	α-helix	trans	-84.9	-14	176.6	-86.8	-175.5	173.8	-177.8	0	115	S554	S554-K558 PolarHBondContact O-N 3.36Å
559	L	48	Very low	47	Very low	137 Å²	137	165.7 Å²	165.7	72%	0.717	76%	0.757	S	S	*	*	S	Bend	trans	-91.1	-6.8	175.8	-90.1	150.9	0	0	0	114.2	R555	R555-L559 PolarHBondContact O-N 2.83Å
560	K	47.8	Very low	47.2	Very low	188 Å²	188	162.8 Å²	162.8	82%	0.817	76%	0.755	S	S	*	*	S	Bend	trans	-99.9	4.2	174.9	-94	-170.8	174.3	-171.8	0	115.3
561	R	50.5	Low	47.5	Very low	232 Å²	232	159.5 Å²	159.5	88%	0.875	75%	0.752	S	S	*	*	S	Bend	trans	-117.9	21.4	178.5	-87.8	-171.8	171.8	-173.2	-2	114.2
562	K	49.9	Very low	47.6	Very low	199 Å²	199	160 Å²	160	87%	0.865	76%	0.758	S	S	*	*	S	Bend	trans	-130.1	27.7	176.5	-106.9	-168.3	177.2	-167.1	0	113.1
563	A	50.8	Low	47.8	Very low	91 Å²	91	163.6 Å²	163.6	75%	0.752	77%	0.77	S	S	*	*	S	Bend	trans	-131.3	26.1	175.6	0	0	0	0	0	112.5
564	E	50.2	Low	48	Very low	186 Å²	186	164.1 Å²	164.1	87%	0.869	78%	0.776	S	S	*	*			trans	-142.3	73.1	164.2	-74.9	-175.7	168.8	0	0	107.6
565	H	41.8	Very low	48.1	Very low	266 Å²	266	173.5 Å²	173.5	100%	1.231	81%	0.808	S	S	*	*			trans	-173.1	0	140.9	-101.9	-44.5	0	0	0	109.9

Retrieved 565 of 565 residues in 262.5 ms (Link to these results)

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