A0A087XBA2_POEFO Loading...

Arylsulfatase family member I

AlphaFold DB , UniProt , Accession A0A087XBA2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 568 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	T	37.2	Very low	33.8	Very low	186 Å²	186	129 Å²	129	100%	1.141	77%	0.765	S	S	*	*				0	110.2	0	4	0	0	0	0	108.6
2	T	35.1	Very low	33.6	Very low	123 Å²	123	130.5 Å²	130.5	76%	0.755	77%	0.765	S	S	*	*			trans	18.5	111.9	148.7	28.4	0	0	0	0	120.6
3	T	36.6	Very low	33.4	Very low	114 Å²	114	131.7 Å²	131.7	70%	0.699	77%	0.765	S	S	*	*				26.4	142.3	115.5	58.1	0	0	0	0	119.6
4	L	34.7	Very low	33.3	Very low	143 Å²	143	128.6 Å²	128.6	75%	0.749	76%	0.755	S	S	*	*				-172.3	149.1	54.8	-116.8	122	0	0	0	112.1
5	T	38	Very low	33.2	Very low	126 Å²	126	131.7 Å²	131.7	77%	0.773	77%	0.766	S	S	*	*			trans	38.3	150.9	146.7	52.8	0	0	0	0	124.1
6	G	33.1	Very low	32.9	Very low	62 Å²	62	127.6 Å²	127.6	64%	0.639	76%	0.76	S	S	*	*			cis	164.3	172.8	-1.9	0	0	0	0	0	114.1
7	F	31.4	Very low	32.8	Very low	210 Å²	210	133.1 Å²	133.1	92%	0.921	77%	0.766	S	S	*	*			trans	66	147.5	170.8	-64.4	-92	0	0	0	119
8	S	32.3	Very low	32.7	Very low	91 Å²	91	132.9 Å²	132.9	64%	0.636	76%	0.762	S	S	*	*			cis	-170.8	125.1	-15.6	174.4	0	0	0	0	114.5
9	V	31.8	Very low	32.6	Very low	114 Å²	114	130.4 Å²	130.4	69%	0.691	75%	0.753	S	S	*	*			trans	55.5	108.3	137.6	-173.9	0	0	0	0	120.7
10	M	31	Very low	32.4	Very low	164 Å²	164	135.3 Å²	135.3	81%	0.808	76%	0.758	S	S	*	*				175.5	159.9	105.7	-92.2	-46.2	177	0	0	110.2
11	S	30.5	Very low	32.3	Very low	86 Å²	86	134.3 Å²	134.3	60%	0.601	75%	0.752	S	S	*	*			cis	-167.9	161.9	-21.2	-151.5	0	0	0	0	113.9
12	L	32.1	Very low	31.9	Very low	147 Å²	147	132.6 Å²	132.6	77%	0.77	74%	0.735	S	S	*	*			trans	61.6	132.6	146.9	-84.1	165.6	0	0	0	125.7
13	L	30.6	Very low	31.6	Very low	146 Å²	146	135.4 Å²	135.4	76%	0.764	74%	0.741	S	S	*	*			trans	76.5	109.4	158.2	-56.5	163.4	0	0	0	117.7
14	S	32	Very low	31.4	Very low	89 Å²	89	135.3 Å²	135.3	62%	0.622	75%	0.745	S	S	*	*				74	132.6	53	83.7	0	0	0	0	113.2
15	L	31.2	Very low	31.5	Very low	175 Å²	175	133.4 Å²	133.4	92%	0.916	74%	0.742	S	S	*	*			cis	-146.4	177.4	5.7	-81.5	114.7	0	0	0	107.7
16	G	29.1	Very low	31.2	Very low	65 Å²	65	134.6 Å²	134.6	67%	0.67	74%	0.743	S	S	*	*			cis	-175.2	169.3	5.3	0	0	0	0	0	111
17	Y	31.7	Very low	31	Very low	222 Å²	222	140.4 Å²	140.4	87%	0.871	75%	0.754	S	S	*	*			trans	-105.3	141.4	-161.4	-102.9	-131.3	0	0	0	115.4
18	L	31.1	Very low	31	Very low	130 Å²	130	137.5 Å²	137.5	68%	0.681	75%	0.753	S	S	*	*				40.8	108.7	127	-80.7	137.7	0	0	0	122.4
19	S	30.1	Very low	31	Very low	85 Å²	85	141.8 Å²	141.8	59%	0.594	76%	0.763	S	S	*	*				77.3	135	101.8	82.3	0	0	0	0	125.5
20	W	28.5	Very low	31	Very low	227 Å²	227	144.3 Å²	144.3	86%	0.86	77%	0.772	S	S	*	*			trans	110.2	133	141.3	-75.5	19.6	0	0	0	122.5
21	D	29.3	Very low	31.2	Very low	116 Å²	116	145.5 Å²	145.5	62%	0.62	78%	0.776	S	S	*	*			trans	69.4	105	143.9	-65	-8.6	0	0	0	126.4
22	L	30.7	Very low	31.4	Very low	150 Å²	150	146.7 Å²	146.7	79%	0.785	78%	0.781	S	S	*	*				65.5	133.3	115.1	-100.4	132	0	0	0	124.5
23	M	27.6	Very low	31.6	Very low	182 Å²	182	146.8 Å²	146.8	90%	0.897	78%	0.783	S	S	*	*			trans	103.5	137.8	158.3	-51.6	-157.8	84.5	0	0	119.2
24	S	32.6	Very low	31.7	Very low	112 Å²	112	147.7 Å²	147.7	78%	0.783	78%	0.783	S	S	*	*			trans	-98.1	171.1	-172.6	-158.5	0	0	0	0	110.2
25	P	37.8	Very low	31.8	Very low	103 Å²	103	149.6 Å²	149.6	67%	0.669	79%	0.791	S	S	*	*			cis	-148.2	177.8	19.1	43.8	-23.2	0	0	0	120
26	N	29.8	Very low	32.1	Very low	151 Å²	151	150.5 Å²	150.5	81%	0.807	79%	0.788	S	S	*	*			trans	80.1	149.9	152.5	-85.2	-4.7	0	0	0	122.2
27	Q	29.8	Very low	32.3	Very low	184 Å²	184	151.6 Å²	151.6	86%	0.86	79%	0.786	S	S	*	*			trans	79.5	108	168.2	-54.3	-162.1	-21.7	0	0	118.9
28	V	31.6	Very low	32.5	Very low	148 Å²	148	148.4 Å²	148.4	90%	0.897	78%	0.784	S	S	*	*			trans	-133.8	145.2	143.1	180	0	0	0	0	106.8
29	E	32.2	Very low	32.7	Very low	182 Å²	182	152.4 Å²	152.4	85%	0.85	79%	0.79	S	S	*	*			trans	-84.8	165.6	-158.9	-65	157.9	128	0	0	114.5
30	N	32.2	Very low	32.9	Very low	167 Å²	167	152.7 Å²	152.7	89%	0.893	79%	0.792	S	S	*	*			trans	-85.9	134.6	175.1	-61.9	-58.6	0	0	0	110.9
31	E	33.9	Very low	33.5	Very low	188 Å²	188	147.5 Å²	147.5	88%	0.879	79%	0.787	S	S	*	*			trans	-114.4	156.5	158.1	-91.4	-150.5	158.6	0	0	111.1
32	P	35.5	Very low	34.1	Very low	111 Å²	111	148.5 Å²	148.5	72%	0.721	80%	0.797	S	S	*	*			trans	-85	130.6	-149.9	30.7	-35.6	0	0	0	115.6	Q34	P32-Q34 PolarHBondContact O-N 3.13Å; P32-Q34 VanDerWaalsContact O-N 3.13Å
33	D	35.4	Very low	35.8	Very low	149 Å²	149	149.3 Å²	149.3	80%	0.797	80%	0.797	S	S	*	*			trans	0.9	87.9	150.2	-152.9	4.2	0	0	0	116.9	T35	D33-T35 PolarHBondContact O-N 3.2Å
34	Q	34.2	Very low	38.6	Very low	165 Å²	165	145 Å²	145	77%	0.771	78%	0.775	S	S	*	*			trans	-76.7	116.1	154.2	-76.3	-168.4	-3.2	0	0	108.2	P32 F36	P32-Q34 PolarHBondContact O-N 3.13Å; P32-Q34 VanDerWaalsContact O-N 3.13Å; Q34-F36 WeakPolarHBondContact O-CD2 3.33Å; Q34-F36 PolarHBondContact O-N 2.79Å
35	T	32.9	Very low	41.6	Very low	130 Å²	130	141.8 Å²	141.8	80%	0.798	75%	0.751	S	S	*	*			trans	-57.2	92.9	-179.3	53.7	0	0	0	0	111.7	D33 S37	D33-T35 PolarHBondContact O-N 3.2Å; T35-S37 PolarHBondContact O-N 3.48Å
36	F	37.9	Very low	44.4	Very low	193 Å²	193	137.3 Å²	137.3	85%	0.846	72%	0.722	S	S	*	*			trans	-64.9	117.8	166.9	-83.2	-87.9	0	0	0	108.1	Q34 D38	Q34-F36 WeakPolarHBondContact O-CD2 3.33Å; Q34-F36 PolarHBondContact O-N 2.79Å; F36-D38 PolarHBondContact O-N 2.71Å
37	S	34.1	Very low	47.7	Very low	89 Å²	89	130.4 Å²	130.4	62%	0.622	69%	0.685	S	S	*	*			trans	-52.7	129	173.1	60	0	0	0	0	109.7	T35 R39	T35-S37 PolarHBondContact O-N 3.48Å; S37-R39 PolarHBondContact O-N 3.27Å
38	D	35	Very low	51	Low	155 Å²	155	121.6 Å²	121.6	83%	0.829	64%	0.644	S	S	*	*			trans	-67.6	75.2	176.3	-171.8	11.3	0	0	0	110.8	F36	F36-D38 PolarHBondContact O-N 2.71Å
39	R	34.9	Very low	54.2	Low	213 Å²	213	114.6 Å²	114.6	80%	0.804	60%	0.601	S	S	*	*			trans	-94.5	101.3	157.9	-67.9	-172.6	-176.5	-169.4	2.1	105.5	S37	S37-R39 PolarHBondContact O-N 3.27Å
40	S	35.7	Very low	57.4	Low	91 Å²	91	106 Å²	106	64%	0.636	56%	0.561	S	S	*	*			trans	-44.8	126.3	162.6	-42.9	0	0	0	0	107.8	V42	S40-V42 PolarHBondContact O-N 2.67Å; S40-V42 VanDerWaalsContact O-N 3.07Å
41	P	40	Very low	60.6	Low	119 Å²	119	98 Å²	98	77%	0.773	52%	0.519	S	S	*	.			trans	-57.8	123.6	-173	22	-32.6	0	0	0	108.4	Q43	P41-Q43 VanDerWaalsContact C-N 3.34Å; P41-Q43 PolarHBondContact O-N 2.69Å
42	V	41.8	Very low	63.7	Low	137 Å²	137	89 Å²	89	83%	0.83	48%	0.477	S	S	*	.			trans	-58.8	102.9	175.6	177.3	0	0	0	0	106.2	S40 Q44	S40-V42 PolarHBondContact O-N 2.67Å; S40-V42 VanDerWaalsContact O-N 3.07Å; V42-Q44 PolarHBondContact O-N 3.08Å
43	Q	67.1	Low	66.7	Low	166 Å²	166	83.8 Å²	83.8	78%	0.776	44%	0.442	S	S	*	.			trans	-72.2	95.6	-169.2	-171.7	167.8	13.2	0	0	108	P41	P41-Q43 VanDerWaalsContact C-N 3.34Å; P41-Q43 PolarHBondContact O-N 2.69Å
44	Q	85.8	Confident	69.7	Low	92 Å²	92	76.7 Å²	76.7	43%	0.43	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-53.9	132.2	-176.8	-74.4	-168.5	-25.9	0	0	110	V42 L225 N289	V42-Q44 PolarHBondContact O-N 3.08Å; Q44-L225 PolarHBondContact NE2-O 2.86Å; Q44-N289 PolarHBondContact O-ND2 3.44Å
45	P	95.3	Very high	72.7	Confident	45 Å²	45	69 Å²	69	29%	0.292	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-51	138	176.3	-27.4	34.8	0	0	0	111.3	Y139 P228 N289	P45-Y139 HydrophobicContact CB-CE2 3.87Å; P45-Y139 VanDerWaalsContact CB-OH 3.23Å; P45-Y139 WeakPolarHBondContact CB-OH 3.26Å; P45-P228 HydrophobicContact CB-CB 4.22Å; P45-P228 HydrophobicContact CB-CG 4.31Å; P45-N289 PolarHBondContact O-ND2 2.76Å
46	P	98	Very high	75.9	Confident	9 Å²	9	62.9 Å²	62.9	6%	0.058	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-73.4	148.7	-173.3	31.1	-35.3	0	0	0	111.4	Y139 N289 V291 L333 L357	P46-Y139 VanDerWaalsContact O-CE1 3.24Å; P46-Y139 WeakPolarHBondContact O-CE1 3.17Å; P46-Y139 PolarHBondContact O-OH 3.3Å; P46-N289 CarbonylContact C-O 3.45Å; P46-N289 VanDerWaalsContact CA-O 3.26Å; P46-N289 WeakPolarHBondContact CA-O 3.42Å; P46-N289 WeakPolarHBondContact CB-O 3.48Å; P46-V291 HydrophobicContact CB-CG2 4.1Å; P46-V291 HydrophobicContact CG-CG2 4.22Å; P46-L333 HydrophobicContact CB-CD1 3.59Å; P46-L333 HydrophobicContact CG-CD1 4.38Å; P46-L357 VanDerWaalsContact CD-O 3.24Å; P46-L357 WeakPolarHBondContact CD-O 3.42Å; P46-L357 HydrophobicContact CG-CB 4.26Å; P46-L357 HydrophobicContact CG-CD2 4.35Å
47	H	98.8	Very high	78.7	Confident	5 Å²	5	53.7 Å²	53.7	2%	0.023	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	138.9	165.4	-46.7	-80.2	0	0	0	109.5	P224 L229 Y286 N289 S290 V291	H47-P224 PolarHBondContact CE1-O 3.06Å; H47-P224 VanDerWaalsContact CE1-O 3.24Å; H47-P224 PolarHBondContact NE2-O 2.87Å; H47-L229 CarbonylContact C-O 3.51Å; H47-L229 WeakPolarHBondContact CA-O 3.06Å; H47-L229 PolarHBondContact ND1-N 3.46Å; H47-Y286 HydrophobicContact CB-CD1 4.45Å; H47-Y286 AromaticContact CD2-CD1 3.68Å; H47-Y286 AromaticContact CE1-CD1 3.72Å; H47-Y286 AromaticContact CE1-CE1 3.87Å; H47-Y286 AromaticContact CG-CD1 3.73Å; H47-Y286 AromaticContact ND1-CD1 3.74Å; H47-Y286 AromaticContact ND1-CE1 3.96Å; H47-Y286 AromaticContact NE2-CD1 3.66Å; H47-N289 PolarHBondContact CD2-O 3.01Å; H47-N289 PolarHBondContact N-O 3.07Å; H47-S290 CarbonylContact O-C 3.6Å; H47-S290 WeakPolarHBondContact O-CA 3.27Å; H47-V291 PolarHBondContact O-N 3.07Å
48	I	98.9	Very high	81.8	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	116.2	-176	-62.4	163.1	0	0	0	108.1	L134 Y139 L229 F230 I231 I293 L354	I48-L134 HydrophobicContact CD1-CD1 4.37Å; I48-L134 HydrophobicContact CD1-CD2 4.18Å; I48-Y139 HydrophobicContact CD1-CD1 4.47Å; I48-Y139 HydrophobicContact CD1-CE1 3.65Å; I48-Y139 HydrophobicContact CG1-CE1 4.05Å; I48-L229 PolarHBondContact N-O 2.87Å; I48-F230 HydrophobicContact CB-CD2 3.87Å; I48-F230 HydrophobicContact CG2-CD2 3.6Å; I48-F230 HydrophobicContact CG2-CE2 3.88Å; I48-F230 WeakPolarHBondContact O-CA 3.07Å; I48-I231 PolarHBondContact O-N 3.46Å; I48-I293 HydrophobicContact CG2-CD1 4.2Å; I48-L354 HydrophobicContact CD1-CB 4.2Å; I48-L354 HydrophobicContact CD1-CD2 4.07Å; I48-L354 HydrophobicContact CG1-CD2 4.22Å; I48-L354 HydrophobicContact CG2-CD1 4.09Å; I48-L354 HydrophobicContact CG2-CD2 3.66Å; I48-L354 HydrophobicContact CG2-CG 4.42Å
49	I	98.9	Very high	84.7	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	94.6	178.2	-49.8	-61.9	0	0	0	107.7	I51 L229 I231 I277 L281 V291 L292 I293	I49-I51 HydrophobicContact CG2-CD1 4.2Å; I49-I51 HydrophobicContact CG2-CG1 4.04Å; I49-L229 HydrophobicContact CD1-CD2 4.22Å; I49-I231 HydrophobicContact CD1-CB 4.07Å; I49-I231 HydrophobicContact CD1-CD1 3.97Å; I49-I231 HydrophobicContact CD1-CG1 4.47Å; I49-I277 HydrophobicContact CG2-CG2 4.46Å; I49-L281 HydrophobicContact CD1-CD2 4.04Å; I49-L281 HydrophobicContact CG1-CD1 4.11Å; I49-L281 HydrophobicContact CG1-CD2 4.04Å; I49-V291 PolarHBondContact N-O 3.21Å; I49-L292 WeakPolarHBondContact O-CA 3.39Å; I49-I293 PolarHBondContact O-N 2.81Å
50	F	98.9	Very high	87.7	Confident	1 Å²	1	33.2 Å²	33.2	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	111.1	-179.5	-161.3	-72.7	0	0	0	109.8	M52 L99 F230 I231 F232 L233 I293 T295 W350 L354	F50-M52 HydrophobicContact CE1-CB 4.32Å; F50-M52 HydrophobicContact CE1-CE 4.27Å; F50-L99 HydrophobicContact CD1-CD2 4.1Å; F50-L99 HydrophobicContact CD2-CD1 4.49Å; F50-L99 HydrophobicContact CE1-CD1 4.16Å; F50-L99 HydrophobicContact CE1-CD2 3.57Å; F50-L99 HydrophobicContact CE2-CD1 3.79Å; F50-L99 HydrophobicContact CZ-CD1 3.6Å; F50-L99 HydrophobicContact CZ-CD2 3.88Å; F50-L99 HydrophobicContact CZ-CG 4.42Å; F50-F230 HydrophobicContact CB-CE2 4.02Å; F50-I231 PolarHBondContact N-O 3.45Å; F50-F232 HydrophobicContact CB-CD2 4.36Å; F50-F232 AromaticContact CD1-CD2 3.82Å; F50-F232 HydrophobicContact CD1-CD2 3.82Å; F50-F232 AromaticContact CD1-CE2 3.86Å; F50-F232 HydrophobicContact CD1-CE2 3.86Å; F50-F232 HydrophobicContact CE1-CE2 4.29Å; F50-F232 HydrophobicContact CG-CD2 4.42Å; F50-L233 PolarHBondContact O-N 2.95Å; F50-I293 HydrophobicContact CD2-CB 3.88Å; F50-I293 HydrophobicContact CD2-CD1 4.16Å; F50-I293 HydrophobicContact CD2-CG1 4.25Å; F50-I293 HydrophobicContact CD2-CG2 4.09Å; F50-I293 HydrophobicContact CE2-CB 4.1Å; F50-I293 HydrophobicContact CE2-CG2 3.77Å; F50-I293 HydrophobicContact CG-CB 4.43Å; F50-I293 HydrophobicContact CZ-CG2 4.21Å; F50-T295 HydrophobicContact CE1-CG2 3.46Å; F50-T295 VanDerWaalsContact CE1-CG2 3.46Å; F50-T295 HydrophobicContact CZ-CG2 3.72Å; F50-W350 HydrophobicContact CE2-CB 4.08Å; F50-W350 AromaticContact CE2-CD1 3.72Å; F50-W350 AromaticContact CE2-CD2 3.85Å; F50-W350 HydrophobicContact CE2-CD2 3.85Å; F50-W350 HydrophobicContact CE2-CE3 4.49Å; F50-W350 AromaticContact CE2-CG 3.62Å; F50-W350 HydrophobicContact CE2-CG 3.62Å; F50-W350 AromaticContact CZ-CD1 3.74Å; F50-W350 HydrophobicContact CZ-CG 4.11Å; F50-W350 AromaticContact CZ-NE1 3.93Å; F50-L354 HydrophobicContact CD2-CD1 4.05Å
51	I	98.9	Very high	90.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	120.4	-178.4	-51.2	-174.7	0	0	0	108.7	I49 L233 F235 V274 L292 I293 F294 T295	I49-I51 HydrophobicContact CG2-CD1 4.2Å; I49-I51 HydrophobicContact CG2-CG1 4.04Å; I51-L233 WeakPolarHBondContact CA-O 3.24Å; I51-L233 HydrophobicContact CD1-CD2 4.46Å; I51-L233 HydrophobicContact CG1-CB 4.43Å; I51-L233 HydrophobicContact CG1-CD2 4.35Å; I51-L233 HydrophobicContact CG2-CD2 4.29Å; I51-L233 HydrophobicContact CG2-CG 4.49Å; I51-F235 HydrophobicContact CG2-CD2 3.93Å; I51-F235 HydrophobicContact CG2-CE2 3.7Å; I51-V274 HydrophobicContact CD1-CG1 4.41Å; I51-V274 HydrophobicContact CD1-CG2 3.9Å; I51-V274 HydrophobicContact CG2-CG2 4.34Å; I51-L292 HydrophobicContact CD1-CD1 4.09Å; I51-L292 HydrophobicContact CD1-CD2 4.48Å; I51-L292 HydrophobicContact CD1-CG 4.27Å; I51-I293 PolarHBondContact N-O 3.07Å; I51-F294 HydrophobicContact CB-CD2 4.01Å; I51-F294 HydrophobicContact CG2-CD2 3.75Å; I51-F294 HydrophobicContact CG2-CE2 3.96Å; I51-F294 CarbonylContact O-C 3.56Å; I51-F294 WeakPolarHBondContact O-CA 3.45Å; I51-T295 PolarHBondContact O-N 3.19Å
52	M	98.9	Very high	93.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.7	178.6	175.4	175.1	-88.9	0	0	110	F50 R96 L99 F232 L233 F235 T295 D297 I347	F50-M52 HydrophobicContact CE1-CB 4.32Å; F50-M52 HydrophobicContact CE1-CE 4.27Å; M52-R96 HydrophobicContact SD-CG 4.01Å; M52-L99 HydrophobicContact CE-CD2 3.74Å; M52-F232 HydrophobicContact CB-CE2 3.88Å; M52-F232 HydrophobicContact SD-CE2 4.09Å; M52-F232 HydrophobicContact SD-CZ 3.92Å; M52-L233 PolarHBondContact N-O 3.39Å; M52-F235 WeakPolarHBondContact O-CB 3.41Å; M52-F235 PolarHBondContact O-N 2.94Å; M52-T295 CarbonylContact C-O 3.31Å; M52-T295 VanDerWaalsContact CA-O 3.27Å; M52-T295 WeakPolarHBondContact CA-O 3.48Å; M52-T295 HydrophobicContact CB-CG2 4.17Å; M52-T295 HydrophobicContact CE-CG2 4.08Å; M52-T295 HydrophobicContact CG-CG2 4.39Å; M52-D297 HydrophobicContact CE-CB 3.98Å; M52-D297 HydrophobicContact CG-CB 3.98Å; M52-D297 HydrophobicContact SD-CB 3.69Å; M52-I347 HydrophobicContact CE-CD1 3.79Å
53	T	98.8	Very high	96.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	159.6	166.6	50.6	0	0	0	0	111.4	Q56 F235 A237 V270 F294 T295 T296 D297	T53-Q56 VanDerWaalsContact OG1-CB 3.22Å; T53-Q56 WeakPolarHBondContact OG1-CB 3.25Å; T53-Q56 PolarHBondContact OG1-OE1 3.44Å; T53-F235 HydrophobicContact CG2-CD2 4.35Å; T53-A237 WeakPolarHBondContact CA-O 3.44Å; T53-A237 WeakPolarHBondContact CB-O 3.2Å; T53-V270 HydrophobicContact CG2-CG1 3.74Å; T53-V270 HydrophobicContact CG2-CG2 4.3Å; T53-F294 HydrophobicContact CG2-CE2 4.1Å; T53-F294 HydrophobicContact CG2-CZ 3.79Å; T53-T295 PolarHBondContact N-O 2.89Å; T53-T295 PolarHBondContact OG1-O 3.48Å; T53-T296 CarbonylContact O-C 3.59Å; T53-D297 PolarHBondContact O-N 2.92Å
54	D	98.5	Very high	97.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.071	C	C	.	.	S	Bend	trans	-111.8	121.1	-176.5	-166.1	19	0	0	0	107.3	Q56 C92 R96 K146 F235 Q236 A237 V238 H239 D297	D54-Q56 VanDerWaalsContact C-N 3.32Å; D54-Q56 PolarHBondContact O-N 2.77Å; D54-C92 PolarHBondContact OD1-SG 3.41Å; D54-R96 IonicContact OD1-NH2 3.9Å; D54-R96 PolarHBondContact OD1-NH2 2.99Å; D54-R96 IonicContact OD2-NH2 3.26Å; D54-K146 IonicContact OD1-NZ 3.61Å; D54-K146 PolarHBondContact OD1-NZ 3Å; D54-K146 WeakPolarHBondContact OD2-CD 3.25Å; D54-K146 WeakPolarHBondContact OD2-CE 3.45Å; D54-K146 IonicContact OD2-NZ 3.3Å; D54-K146 PolarHBondContact OD2-NZ 3.05Å; D54-F235 WeakPolarHBondContact CB-O 3.44Å; D54-Q236 WeakPolarHBondContact CB-O 3.49Å; D54-A237 PolarHBondContact N-O 3.4Å; D54-A237 CarbonylContact O-C 3.35Å; D54-V238 CarbonylContact O-C 3.58Å; D54-V238 PolarHBondContact O-N 3.1Å; D54-H239 HydrophobicContact CB-CB 3.96Å; D54-H239 VanDerWaalsContact CG-CB 3.49Å; D54-H239 PolarHBondContact O-N 3.2Å; D54-H239 VanDerWaalsContact O-N 3.13Å; D54-H239 IonicContact OD1-CD2 3.54Å; D54-H239 PolarHBondContact OD1-CD2 3.33Å; D54-H239 WeakPolarHBondContact OD2-CB 3.21Å; D54-H239 IonicContact OD2-CD2 3.69Å; D54-H239 IonicContact OD2-CG 3.43Å; D54-D297 WeakPolarHBondContact CA-OD1 3.4Å
55	D	98.1	Very high	97.8	Very high	5 Å²	5	14.3 Å²	14.3	3%	0.027	9%	0.089	C	C	.	.	S	Bend	trans	59.6	25.7	-175.7	-63.5	7.5	0	0	0	116.5	G57 H239 Y263 D297 N298 G300 K315	D55-G57 PolarHBondContact O-N 3Å; D55-H239 VanDerWaalsContact CG-CD2 3.46Å; D55-H239 IonicContact OD1-CD2 2.74Å; D55-H239 IonicContact OD2-CD2 3.18Å; D55-H239 PolarHBondContact OD2-CD2 3.17Å; D55-H239 VanDerWaalsContact OD2-CD2 3.26Å; D55-H239 IonicContact OD2-CG 3.29Å; D55-H239 IonicContact OD2-NE2 3.48Å; D55-Y263 PolarHBondContact O-OH 3.05Å; D55-D297 PolarHBondContact N-OD1 3.47Å; D55-N298 PolarHBondContact OD1-ND2 2.82Å; D55-G300 WeakPolarHBondContact O-CA 3.46Å; D55-K315 VanDerWaalsContact OD1-CD 3.26Å; D55-K315 WeakPolarHBondContact OD1-CD 3.39Å; D55-K315 VanDerWaalsContact OD1-CE 3.31Å; D55-K315 WeakPolarHBondContact OD1-CE 3.48Å; D55-K315 IonicContact OD1-NZ 2.62Å; D55-K315 PolarHBondContact OD1-NZ 2.79Å; D55-K315 VanDerWaalsContact OD2-CD 3.22Å; D55-K315 WeakPolarHBondContact OD2-CD 3.31Å; D55-K315 IonicContact OD2-NZ 2.63Å; D55-K315 PolarHBondContact OD2-NZ 3.08Å
56	Q	98.5	Very high	97.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.082	C	C	.	.			trans	-75.9	115.9	171	-165.7	169.6	-3.4	0	0	110.7	T53 D54 D60 V238 Y263 T296 L326	T53-Q56 VanDerWaalsContact OG1-CB 3.22Å; T53-Q56 WeakPolarHBondContact OG1-CB 3.25Å; T53-Q56 PolarHBondContact OG1-OE1 3.44Å; D54-Q56 VanDerWaalsContact C-N 3.32Å; D54-Q56 PolarHBondContact O-N 2.77Å; Q56-D60 HydrophobicContact CG-CB 3.91Å; Q56-D60 PolarHBondContact NE2-O 3.47Å; Q56-V238 HydrophobicContact CB-CG2 4.12Å; Q56-Y263 VanDerWaalsContact CA-OH 3.31Å; Q56-Y263 WeakPolarHBondContact CA-OH 3.45Å; Q56-T296 PolarHBondContact N-OG1 3.36Å; Q56-T296 VanDerWaalsContact O-CB 3.31Å; Q56-T296 WeakPolarHBondContact O-CB 3.24Å; Q56-T296 PolarHBondContact O-OG1 3.42Å; Q56-L326 HydrophobicContact CG-CD2 3.86Å
57	G	97.9	Very high	97.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.091	C	C	.	.			trans	-75.3	161.9	-176.9	0	0	0	0	0	114.1	D55 N59 D60 Y263 S307 N308	D55-G57 PolarHBondContact O-N 3Å; G57-N59 PolarHBondContact O-N 3.24Å; G57-D60 WeakPolarHBondContact CA-OD2 3.25Å; G57-D60 PolarHBondContact N-OD2 3.48Å; G57-D60 WeakPolarHBondContact O-CB 3.48Å; G57-D60 PolarHBondContact O-N 3.28Å; G57-D60 VanDerWaalsContact O-N 3.08Å; G57-Y263 PolarHBondContact N-OH 3.3Å; G57-S307 CarbonylContact C-O 3.6Å; G57-S307 VanDerWaalsContact CA-O 3.28Å; G57-S307 WeakPolarHBondContact CA-O 3.28Å; G57-N308 VanDerWaalsContact CA-OD1 3.24Å; G57-N308 WeakPolarHBondContact CA-OD1 3.35Å
58	F	98.1	Very high	97.2	Very high	20 Å²	20	14.8 Å²	14.8	9%	0.088	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-33.5	-177.5	-169.3	-96.4	0	0	0	112.5	H64 S307 N308 L311 R324	F58-H64 AromaticContact CD1-ND1 3.83Å; F58-H64 AromaticContact CE1-CE1 3.53Å; F58-H64 AromaticContact CE1-ND1 3.65Å; F58-H64 AromaticContact CE2-CE1 3.61Å; F58-H64 AromaticContact CZ-CE1 3.25Å; F58-H64 WeakPolarHBondContact CZ-CE1 3.49Å; F58-H64 AromaticContact CZ-ND1 3.84Å; F58-H64 AromaticContact CZ-NE2 3.79Å; F58-H64 PolarHBondContact O-ND1 3.17Å; F58-S307 PolarHBondContact N-O 2.71Å; F58-S307 VanDerWaalsContact N-O 3.15Å; F58-N308 HydrophobicContact CB-CB 4.49Å; F58-N308 PolarHBondContact N-OD1 3.36Å; F58-N308 VanDerWaalsContact N-OD1 3.15Å; F58-L311 HydrophobicContact CB-CD1 3.72Å; F58-L311 HydrophobicContact CB-CG 4.44Å; F58-L311 HydrophobicContact CD1-CD1 3.76Å; F58-L311 HydrophobicContact CD1-CG 3.93Å; F58-L311 HydrophobicContact CD2-CD1 3.75Å; F58-L311 HydrophobicContact CE1-CD1 4.32Å; F58-L311 HydrophobicContact CE1-CG 4.4Å; F58-L311 HydrophobicContact CE2-CD1 4.31Å; F58-L311 HydrophobicContact CG-CD1 3.45Å; F58-L311 VanDerWaalsContact CG-CD1 3.45Å; F58-L311 HydrophobicContact CG-CG 4.13Å; F58-R324 HydrophobicContact CE2-CG 4.31Å
59	N	97.5	Very high	97.1	Very high	8 Å²	8	22.6 Å²	22.6	4%	0.043	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	19	-179.7	179.5	-125.4	0	0	0	113	G57 H64 S66 S307 W309 P439	G57-N59 PolarHBondContact O-N 3.24Å; N59-H64 PolarHBondContact ND2-O 2.85Å; N59-S66 WeakPolarHBondContact O-CB 3.45Å; N59-S66 PolarHBondContact O-OG 2.86Å; N59-S307 WeakPolarHBondContact CB-O 3.27Å; N59-S307 WeakPolarHBondContact CB-OG 3.42Å; N59-S307 PolarHBondContact N-O 3.32Å; N59-S307 WeakPolarHBondContact OD1-CB 3.38Å; N59-S307 PolarHBondContact OD1-OG 2.78Å; N59-W309 HydrophobicContact CB-CB 4.46Å; N59-W309 VanDerWaalsContact CB-O 3.27Å; N59-W309 WeakPolarHBondContact CB-O 3.4Å; N59-P439 WeakPolarHBondContact OD1-CG 3.4Å
60	D	98.1	Very high	97.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-106	30.9	-175.4	-58.4	-29.2	0	0	0	112.2	Q56 G57 I68 R260 Y263 G306 S307	Q56-D60 HydrophobicContact CG-CB 3.91Å; Q56-D60 PolarHBondContact NE2-O 3.47Å; G57-D60 WeakPolarHBondContact CA-OD2 3.25Å; G57-D60 PolarHBondContact N-OD2 3.48Å; G57-D60 WeakPolarHBondContact O-CB 3.48Å; G57-D60 PolarHBondContact O-N 3.28Å; G57-D60 VanDerWaalsContact O-N 3.08Å; D60-I68 HydrophobicContact CB-CD1 4.02Å; D60-R260 IonicContact OD1-CZ 2.66Å; D60-R260 IonicContact OD1-NH1 2.76Å; D60-R260 PolarHBondContact OD1-NH1 3.41Å; D60-R260 IonicContact OD1-NH2 2.85Å; D60-R260 PolarHBondContact OD1-NH2 2.67Å; D60-R260 IonicContact OD2-NH1 3.24Å; D60-Y263 HydrophobicContact CB-CE1 4.02Å; D60-Y263 WeakPolarHBondContact OD2-CE1 3.46Å; D60-Y263 PolarHBondContact OD2-OH 2.87Å; D60-G306 VanDerWaalsContact OD2-CA 3.3Å; D60-G306 WeakPolarHBondContact OD2-CA 3.34Å; D60-S307 VanDerWaalsContact OD1-CB 3.3Å; D60-S307 WeakPolarHBondContact OD1-CB 3.44Å; D60-S307 PolarHBondContact OD1-N 3.28Å; D60-S307 VanDerWaalsContact OD1-N 3.14Å; D60-S307 PolarHBondContact OD2-N 3.21Å
61	I	98.1	Very high	97	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-140.6	145.1	173.9	-160.5	154.1	0	0	0	110.2	Y63 H64 S66 L73 L326 F328	I61-Y63 VanDerWaalsContact C-N 3.3Å; I61-Y63 HydrophobicContact CB-CE1 4.46Å; I61-Y63 HydrophobicContact CD1-CD1 3.87Å; I61-Y63 HydrophobicContact CD1-CE1 3.32Å; I61-Y63 HydrophobicContact CG1-CD1 3.76Å; I61-Y63 HydrophobicContact CG1-CE1 3.73Å; I61-Y63 HydrophobicContact CG2-CD1 4Å; I61-Y63 HydrophobicContact CG2-CD2 4.19Å; I61-Y63 HydrophobicContact CG2-CE1 3.92Å; I61-Y63 HydrophobicContact CG2-CE2 4.09Å; I61-Y63 HydrophobicContact CG2-CG 4.14Å; I61-Y63 PolarHBondContact O-N 3.41Å; I61-H64 HydrophobicContact CG2-CB 3.98Å; I61-H64 PolarHBondContact O-N 3.07Å; I61-S66 VanDerWaalsContact O-CB 3.22Å; I61-S66 WeakPolarHBondContact O-CB 3.28Å; I61-L73 HydrophobicContact CD1-CB 3.78Å; I61-L73 HydrophobicContact CD1-CD1 4.16Å; I61-L73 HydrophobicContact CG1-CB 4.36Å; I61-L326 HydrophobicContact CB-CD1 4.16Å; I61-L326 HydrophobicContact CB-CD2 4.16Å; I61-L326 HydrophobicContact CD1-CD1 4.14Å; I61-L326 HydrophobicContact CD1-CD2 4.17Å; I61-L326 HydrophobicContact CG2-CD1 3.56Å; I61-L326 HydrophobicContact CG2-CD2 4.42Å; I61-F328 HydrophobicContact CD1-CE1 4.29Å
62	G	97.3	Very high	97	Very high	23 Å²	23	28 Å²	28	24%	0.237	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-63.3	-35	-170.3	0	0	0	0	0	112.8	H64 S65 T70 D74	G62-H64 PolarHBondContact O-N 2.56Å; G62-H64 VanDerWaalsContact O-N 3.13Å; G62-S65 WeakPolarHBondContact O-CA 3.13Å; G62-S65 PolarHBondContact O-N 2.91Å; G62-T70 PolarHBondContact N-OG1 2.74Å; G62-D74 WeakPolarHBondContact CA-OD1 3.44Å; G62-D74 WeakPolarHBondContact CA-OD2 3.48Å; G62-D74 PolarHBondContact N-OD1 2.63Å
63	Y	96.9	Very high	97	Very high	38 Å²	38	28 Å²	28	15%	0.149	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-69.5	-5.3	175.9	74.4	-107.9	0	0	0	115.5	I61 D74 A77 K82 L326 F328	I61-Y63 VanDerWaalsContact C-N 3.3Å; I61-Y63 HydrophobicContact CB-CE1 4.46Å; I61-Y63 HydrophobicContact CD1-CD1 3.87Å; I61-Y63 HydrophobicContact CD1-CE1 3.32Å; I61-Y63 HydrophobicContact CG1-CD1 3.76Å; I61-Y63 HydrophobicContact CG1-CE1 3.73Å; I61-Y63 HydrophobicContact CG2-CD1 4Å; I61-Y63 HydrophobicContact CG2-CD2 4.19Å; I61-Y63 HydrophobicContact CG2-CE1 3.92Å; I61-Y63 HydrophobicContact CG2-CE2 4.09Å; I61-Y63 HydrophobicContact CG2-CG 4.14Å; I61-Y63 PolarHBondContact O-N 3.41Å; Y63-D74 WeakPolarHBondContact CD1-OD1 3.23Å; Y63-D74 PolarHBondContact N-OD1 3.26Å; Y63-A77 HydrophobicContact CD1-CB 3.81Å; Y63-A77 HydrophobicContact CE1-CB 3.44Å; Y63-A77 VanDerWaalsContact CE1-CB 3.44Å; Y63-K82 VanDerWaalsContact CB-NZ 3.26Å; Y63-K82 HydrophobicContact CD2-CD 3.76Å; Y63-K82 HydrophobicContact CE2-CD 3.83Å; Y63-K82 HydrophobicContact CE2-CG 4.13Å; Y63-K82 HydrophobicContact CG-CD 4.2Å; Y63-L326 WeakPolarHBondContact OH-CD1 3.37Å; Y63-F328 HydrophobicContact CE1-CD1 4.23Å
64	H	97.3	Very high	97	Very high	32 Å²	32	29.8 Å²	29.8	15%	0.148	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-105.9	26.3	166.2	-70.1	165.1	0	0	0	112.6	F58 N59 I61 G62 S66 E84	F58-H64 AromaticContact CD1-ND1 3.83Å; F58-H64 AromaticContact CE1-CE1 3.53Å; F58-H64 AromaticContact CE1-ND1 3.65Å; F58-H64 AromaticContact CE2-CE1 3.61Å; F58-H64 AromaticContact CZ-CE1 3.25Å; F58-H64 WeakPolarHBondContact CZ-CE1 3.49Å; F58-H64 AromaticContact CZ-ND1 3.84Å; F58-H64 AromaticContact CZ-NE2 3.79Å; F58-H64 PolarHBondContact O-ND1 3.17Å; N59-H64 PolarHBondContact ND2-O 2.85Å; I61-H64 HydrophobicContact CG2-CB 3.98Å; I61-H64 PolarHBondContact O-N 3.07Å; G62-H64 PolarHBondContact O-N 2.56Å; G62-H64 VanDerWaalsContact O-N 3.13Å; H64-S66 VanDerWaalsContact C-N 3.32Å; H64-S66 PolarHBondContact O-N 3.03Å; H64-E84 IonicContact CE1-OE1 3.87Å; H64-E84 IonicContact CE1-OE2 3.92Å; H64-E84 IonicContact NE2-OE1 3.21Å; H64-E84 PolarHBondContact NE2-OE1 2.67Å; H64-E84 IonicContact NE2-OE2 3.26Å; H64-E84 PolarHBondContact NE2-OE2 3.45Å
65	S	91.9	Very high	97	Very high	114 Å²	114	35.3 Å²	35.3	80%	0.797	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	42.7	179.1	-55.4	0	0	0	0	113	G62	G62-S65 WeakPolarHBondContact O-CA 3.13Å; G62-S65 PolarHBondContact O-N 2.91Å
66	S	92.6	Very high	97.1	Very high	22 Å²	22	35.5 Å²	35.5	15%	0.154	19%	0.189	C	C	.	.			trans	-72.4	152.1	175.5	-160.9	0	0	0	0	112.5	N59 I61 H64 I68 R260	N59-S66 WeakPolarHBondContact O-CB 3.45Å; N59-S66 PolarHBondContact O-OG 2.86Å; I61-S66 VanDerWaalsContact O-CB 3.22Å; I61-S66 WeakPolarHBondContact O-CB 3.28Å; H64-S66 VanDerWaalsContact C-N 3.32Å; H64-S66 PolarHBondContact O-N 3.03Å; S66-I68 PolarHBondContact O-N 3.03Å; S66-I68 WeakPolarHBondContact OG-CB 3.28Å; S66-I68 WeakPolarHBondContact OG-CG1 3.49Å; S66-I68 PolarHBondContact OG-N 3.13Å; S66-I68 VanDerWaalsContact OG-N 3.11Å; S66-R260 PolarHBondContact OG-NH2 2.88Å
67	D	91.3	Very high	97.1	Very high	45 Å²	45	35.5 Å²	35.5	24%	0.241	19%	0.189	C	C	.	.	S	Bend	trans	-69.8	-13.5	160.3	57.3	-50.4	0	0	0	112.8	L255 R260	D67-L255 HydrophobicContact CB-CD2 4.16Å; D67-L255 WeakPolarHBondContact OD2-CD1 3.47Å; D67-R260 IonicContact OD1-CZ 3.81Å; D67-R260 VanDerWaalsContact OD1-CZ 3.27Å; D67-R260 IonicContact OD1-NE 2.61Å; D67-R260 PolarHBondContact OD1-NE 2.95Å; D67-R260 VanDerWaalsContact OD1-NE 3.12Å; D67-R260 IonicContact OD1-NH2 3.02Å; D67-R260 PolarHBondContact OD1-NH2 2.87Å; D67-R260 WeakPolarHBondContact OD2-CG 3.34Å; D67-R260 IonicContact OD2-CZ 3.76Å; D67-R260 IonicContact OD2-NE 3.48Å; D67-R260 PolarHBondContact OD2-NE 3.24Å; D67-R260 IonicContact OD2-NH2 3.91Å
68	I	96.1	Very high	97.1	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.015	21%	0.207	C	C	.	.	S	Bend	trans	-88.6	128.9	178.8	-50.9	179.8	0	0	0	111	D60 S66 T70 Y263 A264 V267	D60-I68 HydrophobicContact CB-CD1 4.02Å; S66-I68 PolarHBondContact O-N 3.03Å; S66-I68 WeakPolarHBondContact OG-CB 3.28Å; S66-I68 WeakPolarHBondContact OG-CG1 3.49Å; S66-I68 PolarHBondContact OG-N 3.13Å; S66-I68 VanDerWaalsContact OG-N 3.11Å; I68-T70 HydrophobicContact CG2-CG2 4.26Å; I68-T70 PolarHBondContact O-N 2.79Å; I68-Y263 HydrophobicContact CD1-CD1 3.79Å; I68-Y263 HydrophobicContact CD1-CE1 3.88Å; I68-A264 HydrophobicContact CB-CB 4.46Å; I68-A264 HydrophobicContact CD1-CB 4.18Å; I68-A264 HydrophobicContact CG1-CB 3.76Å; I68-A264 HydrophobicContact CG2-CB 4.2Å; I68-V267 HydrophobicContact CD1-CB 4.44Å; I68-V267 HydrophobicContact CD1-CG2 4.08Å; I68-V267 HydrophobicContact CG2-CB 3.78Å; I68-V267 HydrophobicContact CG2-CG1 3.69Å
69	R	96.1	Very high	97.2	Very high	164 Å²	164	38.5 Å²	38.5	62%	0.619	21%	0.213	S	C	*	.			trans	-84.5	115.8	179.6	-53.9	178.6	-172.9	177.6	3.3	110	P71 Y252	R69-P71 VanDerWaalsContact C-CD 3.45Å; R69-Y252 WeakPolarHBondContact CB-OH 3.27Å; R69-Y252 HydrophobicContact CG-CE1 4.33Å; R69-Y252 PolarHBondContact N-OH 2.98Å
70	T	98.4	Very high	97.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.211	C	C	.	.			trans	-132.5	54.9	180	39.8	0	0	0	0	111.5	G62 I68 V72 L73 D74 V267 D271	G62-T70 PolarHBondContact N-OG1 2.74Å; I68-T70 HydrophobicContact CG2-CG2 4.26Å; I68-T70 PolarHBondContact O-N 2.79Å; T70-V72 PolarHBondContact O-N 3.47Å; T70-V72 VanDerWaalsContact O-N 3.15Å; T70-L73 HydrophobicContact CG2-CD1 4.01Å; T70-L73 PolarHBondContact O-N 3.01Å; T70-D74 VanDerWaalsContact O-CB 3.31Å; T70-D74 WeakPolarHBondContact O-CB 3.4Å; T70-D74 PolarHBondContact O-N 3.24Å; T70-V267 HydrophobicContact CG2-CG1 3.45Å; T70-V267 VanDerWaalsContact CG2-CG1 3.45Å; T70-D271 VanDerWaalsContact CA-OD1 3.24Å; T70-D271 WeakPolarHBondContact CA-OD1 3.29Å; T70-D271 HydrophobicContact CG2-CB 4.33Å; T70-D271 VanDerWaalsContact O-OD1 3.12Å
71	P	98.6	Very high	97.3	Very high	83 Å²	83	38.1 Å²	38.1	54%	0.539	21%	0.211	S	C	.	.	H	α-helix	trans	-61.7	-26.9	-169.1	26.9	-36.8	0	0	0	114.3	R69 K75 D271	R69-P71 VanDerWaalsContact C-CD 3.45Å; P71-K75 VanDerWaalsContact O-CB 3.24Å; P71-K75 WeakPolarHBondContact O-CB 3.34Å; P71-K75 PolarHBondContact O-N 3.3Å; P71-K75 VanDerWaalsContact O-N 3.09Å; P71-D271 VanDerWaalsContact CD-OD2 3.31Å; P71-D271 WeakPolarHBondContact CD-OD2 3.29Å
72	V	98.8	Very high	97.3	Very high	30 Å²	30	40.1 Å²	40.1	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-81.2	-45.4	-179.6	178	0	0	0	0	110.1	T70 D74 K75 L76 D271 V274 R275	T70-V72 PolarHBondContact O-N 3.47Å; T70-V72 VanDerWaalsContact O-N 3.15Å; V72-D74 VanDerWaalsContact C-N 3.34Å; V72-K75 PolarHBondContact O-N 3.01Å; V72-L76 HydrophobicContact CG1-CD1 4.04Å; V72-L76 VanDerWaalsContact O-CG 3.26Å; V72-L76 WeakPolarHBondContact O-CG 3.25Å; V72-L76 PolarHBondContact O-N 2.64Å; V72-D271 WeakPolarHBondContact CA-OD1 3.39Å; V72-D271 WeakPolarHBondContact CB-OD1 3.3Å; V72-D271 WeakPolarHBondContact CB-OD2 3.31Å; V72-D271 VanDerWaalsContact CG2-OD2 3.29Å; V72-D271 WeakPolarHBondContact CG2-OD2 3.37Å; V72-D271 PolarHBondContact N-OD1 3.35Å; V72-D271 PolarHBondContact N-OD2 3.32Å; V72-V274 HydrophobicContact CG1-CG1 4.49Å; V72-R275 HydrophobicContact CB-CB 4.4Å; V72-R275 HydrophobicContact CG1-CB 3.98Å; V72-R275 HydrophobicContact CG2-CB 3.84Å; V72-R275 HydrophobicContact CG2-CG 4.02Å
73	L	98.9	Very high	97.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.9	-44.9	173	-59.7	177.4	0	0	0	110.6	I61 T70 K75 L76 A77 D271 V274 F294 F328	I61-L73 HydrophobicContact CD1-CB 3.78Å; I61-L73 HydrophobicContact CD1-CD1 4.16Å; I61-L73 HydrophobicContact CG1-CB 4.36Å; T70-L73 HydrophobicContact CG2-CD1 4.01Å; T70-L73 PolarHBondContact O-N 3.01Å; L73-K75 VanDerWaalsContact C-N 3.33Å; L73-K75 PolarHBondContact O-N 3.15Å; L73-L76 PolarHBondContact O-N 2.88Å; L73-A77 VanDerWaalsContact O-CB 3.23Å; L73-A77 WeakPolarHBondContact O-CB 3.35Å; L73-A77 PolarHBondContact O-N 2.96Å; L73-D271 HydrophobicContact CG-CB 4.48Å; L73-D271 WeakPolarHBondContact CG-OD1 3.49Å; L73-D271 PolarHBondContact N-OD1 3.28Å; L73-V274 HydrophobicContact CD2-CB 3.99Å; L73-V274 HydrophobicContact CD2-CG1 4Å; L73-V274 HydrophobicContact CD2-CG2 3.86Å; L73-F294 HydrophobicContact CD1-CE1 4.15Å; L73-F294 HydrophobicContact CD1-CE2 4.15Å; L73-F294 HydrophobicContact CD1-CZ 3.71Å; L73-F294 HydrophobicContact CD2-CD2 3.73Å; L73-F294 HydrophobicContact CD2-CE1 4.39Å; L73-F294 HydrophobicContact CD2-CE2 3.57Å; L73-F294 HydrophobicContact CD2-CG 4.22Å; L73-F294 HydrophobicContact CD2-CZ 3.93Å; L73-F294 HydrophobicContact CG-CZ 4.49Å; L73-F328 HydrophobicContact CB-CE1 4.16Å; L73-F328 HydrophobicContact CB-CZ 4.34Å; L73-F328 HydrophobicContact CD2-CE1 4.27Å; L73-F328 HydrophobicContact CD2-CZ 4.01Å
74	D	98.8	Very high	97.4	Very high	38 Å²	38	39 Å²	39	20%	0.203	21%	0.209	C	C	.	.	H	α-helix	trans	-57.1	-45.1	175.4	-73.2	-27.1	0	0	0	111.9	G62 Y63 T70 V72 A78	G62-D74 WeakPolarHBondContact CA-OD1 3.44Å; G62-D74 WeakPolarHBondContact CA-OD2 3.48Å; G62-D74 PolarHBondContact N-OD1 2.63Å; Y63-D74 WeakPolarHBondContact CD1-OD1 3.23Å; Y63-D74 PolarHBondContact N-OD1 3.26Å; T70-D74 VanDerWaalsContact O-CB 3.31Å; T70-D74 WeakPolarHBondContact O-CB 3.4Å; T70-D74 PolarHBondContact O-N 3.24Å; V72-D74 VanDerWaalsContact C-N 3.34Å; D74-A78 WeakPolarHBondContact O-CB 3.32Å; D74-A78 PolarHBondContact O-N 3.35Å
75	K	98.8	Very high	97.5	Very high	116 Å²	116	38.4 Å²	38.4	50%	0.504	21%	0.207	S	C	.	.	H	α-helix	trans	-67.6	-43.2	179.1	-177.1	51.4	171.5	151.5	0	112.1	P71 V72 L73 A78 D79	P71-K75 VanDerWaalsContact O-CB 3.24Å; P71-K75 WeakPolarHBondContact O-CB 3.34Å; P71-K75 PolarHBondContact O-N 3.3Å; P71-K75 VanDerWaalsContact O-N 3.09Å; V72-K75 PolarHBondContact O-N 3.01Å; L73-K75 VanDerWaalsContact C-N 3.33Å; L73-K75 PolarHBondContact O-N 3.15Å; K75-A78 PolarHBondContact O-N 2.99Å; K75-D79 WeakPolarHBondContact CD-OD2 3.45Å; K75-D79 WeakPolarHBondContact CE-OD2 3.28Å; K75-D79 IonicContact NZ-OD1 3.96Å; K75-D79 PolarHBondContact NZ-OD1 3.41Å; K75-D79 VanDerWaalsContact NZ-OD1 3.07Å; K75-D79 IonicContact NZ-OD2 2.83Å; K75-D79 PolarHBondContact NZ-OD2 3.05Å; K75-D79 PolarHBondContact O-N 3.45Å
76	L	98.9	Very high	97.8	Very high	9 Å²	9	33 Å²	33	5%	0.047	17%	0.169	C	C	.	.	H	α-helix	trans	-64.1	-42.8	177.3	-68.7	168.1	0	0	0	111.5	V72 L73 D79 G80 V274 T278 F328 H330	V72-L76 HydrophobicContact CG1-CD1 4.04Å; V72-L76 VanDerWaalsContact O-CG 3.26Å; V72-L76 WeakPolarHBondContact O-CG 3.25Å; V72-L76 PolarHBondContact O-N 2.64Å; L73-L76 PolarHBondContact O-N 2.88Å; L76-D79 PolarHBondContact O-N 3.03Å; L76-G80 PolarHBondContact O-N 3.27Å; L76-V274 HydrophobicContact CD1-CG1 3.43Å; L76-V274 VanDerWaalsContact CD1-CG1 3.43Å; L76-T278 HydrophobicContact CD1-CG2 3.94Å; L76-T278 HydrophobicContact CD2-CG2 4.15Å; L76-F328 HydrophobicContact CB-CE2 3.67Å; L76-F328 HydrophobicContact CB-CZ 4.02Å; L76-H330 HydrophobicContact CB-CB 4.31Å; L76-H330 PolarHBondContact O-ND1 2.98Å
77	A	98.8	Very high	98.1	Very high	1 Å²	1	32 Å²	32	1%	0.008	16%	0.162	C	C	.	.	H	α-helix	trans	-65.8	-39.7	175.5	0	0	0	0	0	112.3	Y63 L73 G80 K82 F328	Y63-A77 HydrophobicContact CD1-CB 3.81Å; Y63-A77 HydrophobicContact CE1-CB 3.44Å; Y63-A77 VanDerWaalsContact CE1-CB 3.44Å; L73-A77 VanDerWaalsContact O-CB 3.23Å; L73-A77 WeakPolarHBondContact O-CB 3.35Å; L73-A77 PolarHBondContact O-N 2.96Å; A77-G80 PolarHBondContact O-N 3.3Å; A77-K82 HydrophobicContact CB-CG 4.03Å; A77-F328 HydrophobicContact CB-CB 3.97Å; A77-F328 HydrophobicContact CB-CD1 3.68Å; A77-F328 HydrophobicContact CB-CD2 4.09Å; A77-F328 HydrophobicContact CB-CE1 4.12Å; A77-F328 HydrophobicContact CB-CG 3.65Å
78	A	98.7	Very high	98.5	Very high	46 Å²	46	29.8 Å²	29.8	38%	0.38	15%	0.151	S	C	.	.	H	α-helix	trans	-69.3	-35.2	177.2	0	0	0	0	0	113.2	D74 K75 R338	D74-A78 WeakPolarHBondContact O-CB 3.32Å; D74-A78 PolarHBondContact O-N 3.35Å; K75-A78 PolarHBondContact O-N 2.99Å; A78-R338 WeakPolarHBondContact O-CA 3.33Å; A78-R338 WeakPolarHBondContact O-CG 3.48Å
79	D	98.6	Very high	98.6	Very high	37 Å²	37	29.7 Å²	29.7	20%	0.198	15%	0.15	C	C	.	.	H	α-helix	trans	-82	-14.6	173.1	-75.7	-34.9	0	0	0	113.4	K75 L76 K337 R338	K75-D79 WeakPolarHBondContact CD-OD2 3.45Å; K75-D79 WeakPolarHBondContact CE-OD2 3.28Å; K75-D79 IonicContact NZ-OD1 3.96Å; K75-D79 PolarHBondContact NZ-OD1 3.41Å; K75-D79 VanDerWaalsContact NZ-OD1 3.07Å; K75-D79 IonicContact NZ-OD2 2.83Å; K75-D79 PolarHBondContact NZ-OD2 3.05Å; K75-D79 PolarHBondContact O-N 3.45Å; L76-D79 PolarHBondContact O-N 3.03Å; D79-K337 WeakPolarHBondContact O-CB 3.47Å; D79-R338 IonicContact OD1-CZ 3.82Å; D79-R338 IonicContact OD1-NE 2.67Å; D79-R338 PolarHBondContact OD1-NE 3.16Å; D79-R338 IonicContact OD1-NH2 3.8Å; D79-R338 PolarHBondContact OD1-NH2 3.33Å
80	G	98.8	Very high	98.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-104.4	-137	-178.4	0	0	0	0	0	114	L76 A77 V329 R338 R339	L76-G80 PolarHBondContact O-N 3.27Å; A77-G80 PolarHBondContact O-N 3.3Å; G80-V329 CarbonylContact C-O 3.6Å; G80-V329 VanDerWaalsContact CA-O 3.3Å; G80-V329 WeakPolarHBondContact CA-O 3.44Å; G80-R338 WeakPolarHBondContact O-CA 3.38Å; G80-R338 PolarHBondContact O-N 3.28Å; G80-R339 PolarHBondContact O-N 3.26Å
81	V	98.9	Very high	98.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	117.4	176.8	178.9	0	0	0	0	109.6	L83 F328 V329 L334 R339 I377	V81-L83 HydrophobicContact CG1-CD2 4.18Å; V81-F328 CarbonylContact O-C 3.54Å; V81-F328 VanDerWaalsContact O-CA 3.28Å; V81-F328 WeakPolarHBondContact O-CA 3.49Å; V81-F328 WeakPolarHBondContact O-CB 3.02Å; V81-V329 PolarHBondContact N-O 3.38Å; V81-V329 PolarHBondContact O-N 3.49Å; V81-L334 HydrophobicContact CG2-CD1 4.1Å; V81-L334 HydrophobicContact CG2-CD2 4.12Å; V81-R339 WeakPolarHBondContact CA-O 3.44Å; V81-R339 HydrophobicContact CG1-CG 4.26Å; V81-R339 HydrophobicContact CG2-CG 3.85Å; V81-I377 HydrophobicContact CB-CG2 4.34Å; V81-I377 HydrophobicContact CG1-CG2 4.32Å
82	K	98.9	Very high	98.6	Very high	41 Å²	41	20 Å²	20	18%	0.178	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	138.3	172.2	-66.3	174.5	179.8	179.4	0	110.4	Y63 A77 R339 V340 S341	Y63-K82 VanDerWaalsContact CB-NZ 3.26Å; Y63-K82 HydrophobicContact CD2-CD 3.76Å; Y63-K82 HydrophobicContact CE2-CD 3.83Å; Y63-K82 HydrophobicContact CE2-CG 4.13Å; Y63-K82 HydrophobicContact CG-CD 4.2Å; A77-K82 HydrophobicContact CB-CG 4.03Å; K82-R339 PolarHBondContact N-O 3.16Å; K82-V340 HydrophobicContact CB-CG2 4.32Å; K82-V340 HydrophobicContact CD-CG2 4.27Å; K82-S341 WeakPolarHBondContact O-CB 3.2Å; K82-S341 PolarHBondContact O-N 3.44Å
83	L	98.8	Very high	98.6	Very high	5 Å²	5	18.6 Å²	18.6	3%	0.026	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	85.9	-176.9	-54	179.5	0	0	0	110.7	V81 N85 Y86 G327 V329 W350 I377	V81-L83 HydrophobicContact CG1-CD2 4.18Å; L83-N85 VanDerWaalsContact C-N 3.28Å; L83-N85 PolarHBondContact O-N 3.47Å; L83-Y86 HydrophobicContact CB-CG 4.28Å; L83-Y86 HydrophobicContact CD1-CD2 4.44Å; L83-Y86 HydrophobicContact CD1-CG 4.32Å; L83-G327 WeakPolarHBondContact CB-O 3.36Å; L83-G327 PolarHBondContact N-O 2.79Å; L83-V329 HydrophobicContact CD1-CG2 4.33Å; L83-W350 HydrophobicContact CD1-CH2 3.97Å; L83-W350 HydrophobicContact CD1-CZ2 3.8Å; L83-I377 HydrophobicContact CD2-CD1 4.42Å; L83-I377 HydrophobicContact CD2-CG1 4.2Å
84	E	98.1	Very high	98.5	Very high	32 Å²	32	18.6 Å²	18.6	15%	0.15	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-0.2	-173.3	-64	-54.5	142.2	0	0	114.3	H64 R324 V340 S341	H64-E84 IonicContact CE1-OE1 3.87Å; H64-E84 IonicContact CE1-OE2 3.92Å; H64-E84 IonicContact NE2-OE1 3.21Å; H64-E84 PolarHBondContact NE2-OE1 2.67Å; H64-E84 IonicContact NE2-OE2 3.26Å; H64-E84 PolarHBondContact NE2-OE2 3.45Å; E84-R324 PolarHBondContact O-NE 3.14Å; E84-R324 PolarHBondContact O-NH2 3Å; E84-V340 HydrophobicContact CB-CG1 4.02Å; E84-V340 HydrophobicContact CG-CB 4.49Å; E84-V340 HydrophobicContact CG-CG1 3.45Å; E84-V340 VanDerWaalsContact CG-CG1 3.45Å; E84-V340 HydrophobicContact CG-CG2 4.41Å; E84-S341 PolarHBondContact N-O 3.44Å
85	N	98.3	Very high	98.5	Very high	21 Å²	21	16.8 Å²	16.8	11%	0.112	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.7	39.7	179.4	-162.8	28.1	0	0	0	110.7	L83 K342 V345 R420	L83-N85 VanDerWaalsContact C-N 3.28Å; L83-N85 PolarHBondContact O-N 3.47Å; N85-K342 WeakPolarHBondContact CB-O 3.26Å; N85-K342 PolarHBondContact ND2-O 3.02Å; N85-V345 PolarHBondContact O-N 3.26Å; N85-V345 VanDerWaalsContact O-N 3.14Å; N85-R420 PolarHBondContact OD1-NH1 2.74Å; N85-R420 PolarHBondContact OD1-NH2 2.81Å
86	Y	98.9	Very high	98.5	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	141.7	-173.9	167.1	-109.6	0	0	0	112.7	L83 V88 T295 G325 V345 W350	L83-Y86 HydrophobicContact CB-CG 4.28Å; L83-Y86 HydrophobicContact CD1-CD2 4.44Å; L83-Y86 HydrophobicContact CD1-CG 4.32Å; Y86-V88 HydrophobicContact CE1-CG1 3.64Å; Y86-T295 WeakPolarHBondContact CE1-OG1 3.31Å; Y86-T295 PolarHBondContact OH-OG1 3.19Å; Y86-G325 PolarHBondContact O-N 3.23Å; Y86-V345 CarbonylContact C-O 3.51Å; Y86-V345 VanDerWaalsContact CA-O 3.29Å; Y86-V345 WeakPolarHBondContact CA-O 3.39Å; Y86-V345 HydrophobicContact CD2-CB 3.98Å; Y86-V345 HydrophobicContact CD2-CG1 3.76Å; Y86-V345 HydrophobicContact CE2-CG1 4.25Å; Y86-W350 HydrophobicContact CE2-CZ2 4.25Å; Y86-W350 AromaticContact CE2-NE1 3.51Å; Y86-W350 AromaticContact CZ-NE1 3.68Å; Y86-W350 PolarHBondContact OH-NE1 3.36Å; Y86-W350 VanDerWaalsContact OH-NE1 3.13Å
87	Y	98.9	Very high	98.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	143.3	-171.4	-67.5	-94.3	0	0	0	113.2	E320 V323 R324 L344 V345 H346 I347 I388 H390 R420	Y87-E320 WeakPolarHBondContact CE1-OE1 3.43Å; Y87-E320 PolarHBondContact OH-OE2 2.88Å; Y87-V323 CarbonylContact C-O 3.59Å; Y87-V323 VanDerWaalsContact CA-O 3.28Å; Y87-V323 WeakPolarHBondContact CA-O 3.28Å; Y87-V323 HydrophobicContact CD1-CB 4.43Å; Y87-V323 HydrophobicContact CD1-CG2 4.05Å; Y87-V323 HydrophobicContact CE1-CG2 4.34Å; Y87-R324 HydrophobicContact CD1-CB 4.31Å; Y87-R324 HydrophobicContact CE1-CB 4.01Å; Y87-R324 HydrophobicContact CE1-CG 4.23Å; Y87-L344 HydrophobicContact CD2-CD1 3.83Å; Y87-L344 HydrophobicContact CE2-CD1 3.87Å; Y87-V345 PolarHBondContact N-O 3.38Å; Y87-H346 CarbonylContact O-C 3.21Å; Y87-H346 WeakPolarHBondContact O-CA 3.21Å; Y87-H346 PolarHBondContact O-CD2 3Å; Y87-H346 VanDerWaalsContact O-CD2 3.3Å; Y87-I347 PolarHBondContact O-N 3.1Å; Y87-I388 HydrophobicContact CD2-CD1 3.78Å; Y87-I388 HydrophobicContact CG-CD1 3.92Å; Y87-H390 AromaticContact CD1-CE1 3.51Å; Y87-R420 VanDerWaalsContact CZ-NH1 3.29Å; Y87-R420 PolarHBondContact OH-NH1 3.04Å
88	V	98.9	Very high	98.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.061	C	C	.	.			trans	-127.9	177.6	175.5	-60	0	0	0	0	108.4	Y86 D297 V323 I347	Y86-V88 HydrophobicContact CE1-CG1 3.64Å; V88-D297 WeakPolarHBondContact CB-O 3.37Å; V88-D297 WeakPolarHBondContact CG2-O 3.28Å; V88-V323 PolarHBondContact N-O 3.22Å; V88-V323 WeakPolarHBondContact O-CB 3.37Å; V88-V323 VanDerWaalsContact O-O 3.07Å; V88-I347 HydrophobicContact CB-CD1 4.43Å; V88-I347 HydrophobicContact CG1-CB 4.27Å; V88-I347 HydrophobicContact CG1-CD1 4.08Å
89	Q	98.8	Very high	98.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.044	C	C	.	.			trans	-84.7	160.7	171.2	-63.8	-61.6	-28.2	0	0	111	I91 P94 S95 Q98 Q105 N298 H346 H390	Q89-I91 PolarHBondContact O-N 2.87Å; Q89-P94 HydrophobicContact CB-CB 3.53Å; Q89-P94 HydrophobicContact CG-CB 3.93Å; Q89-S95 WeakPolarHBondContact CA-OG 3.49Å; Q89-S95 VanDerWaalsContact CB-OG 3.29Å; Q89-S95 WeakPolarHBondContact CB-OG 3.45Å; Q89-S95 PolarHBondContact N-OG 2.95Å; Q89-S95 PolarHBondContact O-OG 3.36Å; Q89-Q98 VanDerWaalsContact CD-NE2 3.27Å; Q89-Q98 HydrophobicContact CG-CG 4.21Å; Q89-Q98 VanDerWaalsContact NE2-OE1 3.11Å; Q89-Q105 VanDerWaalsContact CD-OE1 3.3Å; Q89-N298 VanDerWaalsContact O-CB 3.29Å; Q89-N298 WeakPolarHBondContact O-CB 3.32Å; Q89-H346 PolarHBondContact NE2-NE2 2.86Å; Q89-H390 VanDerWaalsContact CD-O 3.27Å; Q89-H390 PolarHBondContact NE2-O 3.14Å; Q89-H390 PolarHBondContact OE1-O 3.21Å
90	P	98	Very high	98.6	Very high	5 Å²	5	7.1 Å²	7.1	3%	0.032	4%	0.035	C	C	.	.	S	Bend	trans	-79.7	-2.1	-170.8	32	-35.9	0	0	0	114.6	N298 G316 T317 Y318 G322 V323	P90-N298 VanDerWaalsContact C-CB 3.43Å; P90-N298 WeakPolarHBondContact O-CB 3.39Å; P90-G316 PolarHBondContact O-N 3.05Å; P90-T317 VanDerWaalsContact CB-O 3.24Å; P90-T317 WeakPolarHBondContact CB-O 3.17Å; P90-Y318 HydrophobicContact CB-CD1 4.49Å; P90-Y318 HydrophobicContact CG-CD1 3.8Å; P90-Y318 HydrophobicContact CG-CE1 3.79Å; P90-G322 WeakPolarHBondContact CA-O 3.47Å; P90-V323 HydrophobicContact CB-CG1 3.96Å; P90-V323 HydrophobicContact CG-CG1 4.24Å
91	I	96.9	Very high	98.6	Very high	35 Å²	35	7.2 Å²	7.2	18%	0.179	4%	0.036	C	C	.	.	S	Bend	trans	-150.8	158.5	-177.5	40.4	163.3	0	0	0	111.7	Q89 P94 S95 S113 I114 N298 K315	Q89-I91 PolarHBondContact O-N 2.87Å; I91-P94 HydrophobicContact CD1-CG 3.81Å; I91-P94 HydrophobicContact CG1-CB 4.35Å; I91-P94 HydrophobicContact CG1-CG 3.75Å; I91-P94 WeakPolarHBondContact O-CD 3.15Å; I91-S95 PolarHBondContact O-N 3.13Å; I91-S113 VanDerWaalsContact CD1-O 3.28Å; I91-S113 WeakPolarHBondContact CD1-O 3.29Å; I91-I114 HydrophobicContact CB-CG2 4.19Å; I91-I114 HydrophobicContact CD1-CG2 3.98Å; I91-N298 VanDerWaalsContact C-OD1 3.3Å; I91-N298 WeakPolarHBondContact CA-OD1 3.47Å; I91-K315 HydrophobicContact CG2-CG 4.31Å
92	C	97.7	Very high	98.5	Very high	3 Å²	3	7.2 Å²	7.2	2%	0.02	4%	0.036	C	C	.	.	H	α-helix	trans	-58.6	-60.3	-163.8	-40.7	0	0	0	0	115.6	D54 S95 R96 K146 H148 D297 N298	D54-C92 PolarHBondContact OD1-SG 3.41Å; C92-S95 PolarHBondContact O-N 3.19Å; C92-R96 WeakPolarHBondContact O-CB 3.3Å; C92-R96 VanDerWaalsContact O-CD 3.29Å; C92-R96 WeakPolarHBondContact O-CD 3.24Å; C92-R96 VanDerWaalsContact O-CG 3.27Å; C92-R96 WeakPolarHBondContact O-CG 3.35Å; C92-R96 PolarHBondContact O-N 3.5Å; C92-K146 PolarHBondContact SG-NZ 3.2Å; C92-K146 VanDerWaalsContact SG-NZ 3.43Å; C92-H148 WeakPolarHBondContact CB-ND1 3.34Å; C92-D297 VanDerWaalsContact CA-OD2 3.26Å; C92-D297 WeakPolarHBondContact CA-OD2 3.4Å; C92-D297 WeakPolarHBondContact CB-OD2 3.47Å; C92-N298 PolarHBondContact N-OD1 3.42Å; C92-N298 VanDerWaalsContact N-OD1 3.16Å; C92-N298 PolarHBondContact SG-OD1 3.32Å
93	T	98.6	Very high	98.5	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.006	4%	0.038	C	C	.	.	H	α-helix	trans	-56.9	-49	-175.9	-66.2	0	0	0	0	112	S95 R96 S97 L110 I115 H148 L149	T93-S95 PolarHBondContact O-N 2.69Å; T93-R96 PolarHBondContact O-N 2.94Å; T93-S97 VanDerWaalsContact O-CB 3.31Å; T93-S97 WeakPolarHBondContact O-CB 3.43Å; T93-S97 PolarHBondContact O-N 2.94Å; T93-S97 PolarHBondContact O-OG 3.36Å; T93-L110 HydrophobicContact CG2-CD1 4.46Å; T93-I115 HydrophobicContact CG2-CB 4.38Å; T93-I115 HydrophobicContact CG2-CD1 3.73Å; T93-I115 HydrophobicContact CG2-CG1 3.93Å; T93-I115 PolarHBondContact OG1-N 2.96Å; T93-H148 PolarHBondContact OG1-CD2 3.37Å; T93-H148 PolarHBondContact OG1-CE1 2.99Å; T93-H148 PolarHBondContact OG1-ND1 2.98Å; T93-H148 PolarHBondContact OG1-NE2 2.9Å; T93-H148 PolarHBondContact OG1-O 3.07Å; T93-L149 HydrophobicContact CG2-CD2 4.06Å; T93-L149 WeakPolarHBondContact O-CD2 3.2Å
94	P	98.6	Very high	98.5	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-43.6	-63.8	168.2	-41.3	46.7	0	0	0	114.4	Q89 I91 R96 S97 Q98 Q105	Q89-P94 HydrophobicContact CB-CB 3.53Å; Q89-P94 HydrophobicContact CG-CB 3.93Å; I91-P94 HydrophobicContact CD1-CG 3.81Å; I91-P94 HydrophobicContact CG1-CB 4.35Å; I91-P94 HydrophobicContact CG1-CG 3.75Å; I91-P94 WeakPolarHBondContact O-CD 3.15Å; P94-R96 VanDerWaalsContact C-N 3.31Å; P94-R96 PolarHBondContact O-N 3.06Å; P94-S97 PolarHBondContact O-N 3.38Å; P94-S97 PolarHBondContact O-OG 3.19Å; P94-Q98 VanDerWaalsContact O-CG 3.3Å; P94-Q98 WeakPolarHBondContact O-CG 3.24Å; P94-Q98 PolarHBondContact O-N 3.25Å; P94-Q105 VanDerWaalsContact CB-CD 3.42Å; P94-Q105 HydrophobicContact CB-CG 4.12Å; P94-Q105 HydrophobicContact CG-CG 4.4Å
95	S	98.8	Very high	98.5	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-56.6	-44	-177.2	-80.4	0	0	0	0	113.3	Q89 I91 C92 T93 S97 Q98 L99 D297 I347	Q89-S95 WeakPolarHBondContact CA-OG 3.49Å; Q89-S95 VanDerWaalsContact CB-OG 3.29Å; Q89-S95 WeakPolarHBondContact CB-OG 3.45Å; Q89-S95 PolarHBondContact N-OG 2.95Å; Q89-S95 PolarHBondContact O-OG 3.36Å; I91-S95 PolarHBondContact O-N 3.13Å; C92-S95 PolarHBondContact O-N 3.19Å; T93-S95 PolarHBondContact O-N 2.69Å; S95-S97 VanDerWaalsContact C-N 3.32Å; S95-S97 PolarHBondContact O-N 2.79Å; S95-Q98 PolarHBondContact O-N 3.28Å; S95-L99 WeakPolarHBondContact O-CB 3.23Å; S95-L99 PolarHBondContact O-N 3.42Å; S95-D297 WeakPolarHBondContact CB-O 3.11Å; S95-D297 PolarHBondContact OG-O 3.38Å; S95-I347 WeakPolarHBondContact O-CD1 3.43Å
96	R	98.9	Very high	98.5	Very high	2 Å²	2	5.7 Å²	5.7	1%	0.008	3%	0.026	C	C	.	.	H	α-helix	trans	-64.6	-38.8	179.8	-66.8	159.5	-168.6	-91.4	-8.5	110.9	M52 D54 C92 T93 P94 I100 K146 L149 S234 D297	M52-R96 HydrophobicContact SD-CG 4.01Å; D54-R96 IonicContact OD1-NH2 3.9Å; D54-R96 PolarHBondContact OD1-NH2 2.99Å; D54-R96 IonicContact OD2-NH2 3.26Å; C92-R96 WeakPolarHBondContact O-CB 3.3Å; C92-R96 VanDerWaalsContact O-CD 3.29Å; C92-R96 WeakPolarHBondContact O-CD 3.24Å; C92-R96 VanDerWaalsContact O-CG 3.27Å; C92-R96 WeakPolarHBondContact O-CG 3.35Å; C92-R96 PolarHBondContact O-N 3.5Å; T93-R96 PolarHBondContact O-N 2.94Å; P94-R96 VanDerWaalsContact C-N 3.31Å; P94-R96 PolarHBondContact O-N 3.06Å; R96-I100 WeakPolarHBondContact O-CB 3.48Å; R96-I100 VanDerWaalsContact O-CG1 3.23Å; R96-I100 WeakPolarHBondContact O-CG1 3.33Å; R96-I100 PolarHBondContact O-N 2.8Å; R96-K146 PolarHBondContact NH1-O 3.29Å; R96-L149 HydrophobicContact CB-CD1 4.38Å; R96-L149 HydrophobicContact CB-CD2 3.74Å; R96-L149 HydrophobicContact CB-CG 4.17Å; R96-S234 PolarHBondContact NH1-OG 3.31Å; R96-D297 IonicContact CZ-OD2 3.95Å; R96-D297 IonicContact NE-OD2 2.83Å; R96-D297 PolarHBondContact NE-OD2 3.14Å; R96-D297 IonicContact NH2-OD2 3.82Å; R96-D297 PolarHBondContact NH2-OD2 2.8Å
97	S	98.7	Very high	98.5	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-68.3	-39.7	178.8	74	0	0	0	0	111.6	T93 P94 S95 I100 T101	T93-S97 VanDerWaalsContact O-CB 3.31Å; T93-S97 WeakPolarHBondContact O-CB 3.43Å; T93-S97 PolarHBondContact O-N 2.94Å; T93-S97 PolarHBondContact O-OG 3.36Å; P94-S97 PolarHBondContact O-N 3.38Å; P94-S97 PolarHBondContact O-OG 3.19Å; S95-S97 VanDerWaalsContact C-N 3.32Å; S95-S97 PolarHBondContact O-N 2.79Å; S97-I100 PolarHBondContact O-N 2.86Å; S97-T101 WeakPolarHBondContact O-CB 3.47Å; S97-T101 PolarHBondContact O-N 2.89Å; S97-T101 PolarHBondContact O-OG1 3.18Å
98	Q	98.9	Very high	98.5	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-73.3	-34.7	180	-62.7	-155	9.1	0	0	112.1	Q89 P94 S95 G102 R103 Q105 H346 I347 T348	Q89-Q98 VanDerWaalsContact CD-NE2 3.27Å; Q89-Q98 HydrophobicContact CG-CG 4.21Å; Q89-Q98 VanDerWaalsContact NE2-OE1 3.11Å; P94-Q98 VanDerWaalsContact O-CG 3.3Å; P94-Q98 WeakPolarHBondContact O-CG 3.24Å; P94-Q98 PolarHBondContact O-N 3.25Å; S95-Q98 PolarHBondContact O-N 3.28Å; Q98-G102 VanDerWaalsContact O-CA 3.25Å; Q98-G102 WeakPolarHBondContact O-CA 3.43Å; Q98-G102 PolarHBondContact O-N 3.41Å; Q98-R103 WeakPolarHBondContact CA-O 3.26Å; Q98-R103 VanDerWaalsContact CG-O 3.23Å; Q98-R103 WeakPolarHBondContact CG-O 3.41Å; Q98-Q105 HydrophobicContact CG-CG 4.39Å; Q98-H346 PolarHBondContact OE1-CE1 3.39Å; Q98-I347 HydrophobicContact CB-CG2 3.91Å; Q98-T348 HydrophobicContact CB-CG2 3.8Å; Q98-T348 HydrophobicContact CG-CG2 4.43Å
99	L	98.9	Very high	98.4	Very high	3 Å²	3	7 Å²	7	2%	0.016	3%	0.032	C	C	.	.	H	α-helix	trans	-62	-50.2	168.9	174.8	59.9	0	0	0	111.7	F50 M52 S95 T101 F232 I347 W350	F50-L99 HydrophobicContact CD1-CD2 4.1Å; F50-L99 HydrophobicContact CD2-CD1 4.49Å; F50-L99 HydrophobicContact CE1-CD1 4.16Å; F50-L99 HydrophobicContact CE1-CD2 3.57Å; F50-L99 HydrophobicContact CE2-CD1 3.79Å; F50-L99 HydrophobicContact CZ-CD1 3.6Å; F50-L99 HydrophobicContact CZ-CD2 3.88Å; F50-L99 HydrophobicContact CZ-CG 4.42Å; M52-L99 HydrophobicContact CE-CD2 3.74Å; S95-L99 WeakPolarHBondContact O-CB 3.23Å; S95-L99 PolarHBondContact O-N 3.42Å; L99-T101 VanDerWaalsContact C-N 3.34Å; L99-T101 PolarHBondContact O-N 3.07Å; L99-F232 HydrophobicContact CD2-CD2 4.4Å; L99-F232 HydrophobicContact CD2-CE2 3.65Å; L99-F232 HydrophobicContact CD2-CZ 3.75Å; L99-I347 HydrophobicContact CB-CD1 4.14Å; L99-I347 HydrophobicContact CB-CG1 3.95Å; L99-W350 HydrophobicContact CD1-CB 3.67Å; L99-W350 HydrophobicContact CD1-CG 4.15Å
100	I	98.7	Very high	98.4	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.005	3%	0.034	C	C	.	.	H	α-helix	trans	-73.8	-23	-172.3	-67.8	-66.7	0	0	0	112.6	R96 S97 L123 T129 L130 W147 L149 F163 F232	R96-I100 WeakPolarHBondContact O-CB 3.48Å; R96-I100 VanDerWaalsContact O-CG1 3.23Å; R96-I100 WeakPolarHBondContact O-CG1 3.33Å; R96-I100 PolarHBondContact O-N 2.8Å; S97-I100 PolarHBondContact O-N 2.86Å; I100-L123 HydrophobicContact CG2-CD2 3.88Å; I100-T129 HydrophobicContact CG2-CG2 3.79Å; I100-T129 CarbonylContact O-C 3.44Å; I100-T129 VanDerWaalsContact O-CA 3.31Å; I100-T129 WeakPolarHBondContact O-CA 3.21Å; I100-L130 PolarHBondContact O-N 3.48Å; I100-W147 HydrophobicContact CD1-CZ3 4.45Å; I100-W147 HydrophobicContact CG1-CZ3 4.32Å; I100-W147 HydrophobicContact CG2-CH2 4.4Å; I100-L149 HydrophobicContact CB-CD1 4.06Å; I100-L149 HydrophobicContact CG1-CD1 3.91Å; I100-L149 HydrophobicContact CG2-CD1 4.31Å; I100-F163 HydrophobicContact CD1-CE2 4.32Å; I100-F163 HydrophobicContact CD1-CZ 4.15Å; I100-F232 HydrophobicContact CD1-CD1 4.33Å; I100-F232 HydrophobicContact CD1-CE1 4.27Å
101	T	98.6	Very high	98.4	Very high	3 Å²	3	7.5 Å²	7.5	2%	0.018	3%	0.034	C	C	.	.	H	α-helix	trans	-112.5	-18.2	179.9	60.3	0	0	0	0	115	S97 L99 R103 L123 Q127 Y351	S97-T101 WeakPolarHBondContact O-CB 3.47Å; S97-T101 PolarHBondContact O-N 2.89Å; S97-T101 PolarHBondContact O-OG1 3.18Å; L99-T101 VanDerWaalsContact C-N 3.34Å; L99-T101 PolarHBondContact O-N 3.07Å; T101-R103 WeakPolarHBondContact O-CG 3.5Å; T101-R103 PolarHBondContact O-N 2.74Å; T101-R103 PolarHBondContact OG1-N 3.37Å; T101-L123 HydrophobicContact CG2-CD1 3.75Å; T101-L123 HydrophobicContact CG2-CD2 3.83Å; T101-L123 HydrophobicContact CG2-CG 4.13Å; T101-Q127 HydrophobicContact CG2-CB 3.75Å; T101-Q127 HydrophobicContact CG2-CG 4.28Å; T101-Y351 WeakPolarHBondContact O-CD2 3.47Å; T101-Y351 WeakPolarHBondContact O-CE2 3.31Å
102	G	98.6	Very high	98.4	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	3%	0.034	C	C	.	.	S	Bend	trans	69.3	9.4	-169.1	0	0	0	0	0	114	Q98 T348 D369 G370	Q98-G102 VanDerWaalsContact O-CA 3.25Å; Q98-G102 WeakPolarHBondContact O-CA 3.43Å; Q98-G102 PolarHBondContact O-N 3.41Å; G102-T348 WeakPolarHBondContact O-CB 3.38Å; G102-D369 PolarHBondContact O-N 2.81Å; G102-G370 PolarHBondContact O-N 2.8Å; G102-G370 VanDerWaalsContact O-N 3.11Å
103	R	98.6	Very high	98.3	Very high	59 Å²	59	9.2 Å²	9.2	22%	0.223	5%	0.045	C	C	.	.	S	Bend	trans	-115.7	149.7	-174.5	-53.4	-170	76.5	-165.5	-0.5	112	Q98 T101 H107 T108 G367 D369	Q98-R103 WeakPolarHBondContact CA-O 3.26Å; Q98-R103 VanDerWaalsContact CG-O 3.23Å; Q98-R103 WeakPolarHBondContact CG-O 3.41Å; T101-R103 WeakPolarHBondContact O-CG 3.5Å; T101-R103 PolarHBondContact O-N 2.74Å; T101-R103 PolarHBondContact OG1-N 3.37Å; R103-H107 PolarHBondContact NH2-ND1 3.22Å; R103-H107 VanDerWaalsContact NH2-ND1 3.12Å; R103-T108 HydrophobicContact CB-CG2 4.47Å; R103-G367 PolarHBondContact NE-O 3.41Å; R103-G367 VanDerWaalsContact NE-O 3.12Å; R103-D369 VanDerWaalsContact CA-OD2 3.29Å; R103-D369 WeakPolarHBondContact CA-OD2 3.38Å
104	Y	98.8	Very high	98.2	Very high	4 Å²	4	11.8 Å²	11.8	2%	0.016	6%	0.058	C	C	.	.			trans	-69.2	154.1	171.8	-62.4	-56.8	0	0	0	111.3	I106 H107 H346 T348 D369 R385 L389 Y495	Y104-I106 PolarHBondContact O-N 3.4Å; Y104-I106 VanDerWaalsContact O-N 3.1Å; Y104-H107 PolarHBondContact O-N 3.31Å; Y104-H346 AromaticContact CD1-CE1 3.85Å; Y104-H346 AromaticContact CE1-CE1 3.45Å; Y104-H346 VanDerWaalsContact CE1-CE1 3.45Å; Y104-H346 WeakPolarHBondContact CE1-CE1 3.41Å; Y104-H346 AromaticContact CE1-ND1 3.77Å; Y104-T348 HydrophobicContact CD1-CG2 4.3Å; Y104-D369 HydrophobicContact CD2-CB 3.47Å; Y104-D369 VanDerWaalsContact CD2-CB 3.47Å; Y104-D369 WeakPolarHBondContact CD2-OD1 3.05Å; Y104-D369 WeakPolarHBondContact CD2-OD2 3.47Å; Y104-D369 HydrophobicContact CE2-CB 3.51Å; Y104-D369 HydrophobicContact CG-CB 4Å; Y104-D369 PolarHBondContact N-OD2 3.38Å; Y104-R385 PolarHBondContact OH-NH1 3.26Å; Y104-L389 HydrophobicContact CD2-CB 4.36Å; Y104-L389 HydrophobicContact CE1-CB 4.36Å; Y104-L389 WeakPolarHBondContact CE1-O 3.22Å; Y104-L389 HydrophobicContact CE2-CB 4.11Å; Y104-L389 PolarHBondContact OH-N 2.92Å; Y104-Y495 HydrophobicContact CD2-CE1 4.35Å; Y104-Y495 AromaticContact CE2-CE1 3.88Å; Y104-Y495 HydrophobicContact CE2-CE1 3.88Å
105	Q	98.3	Very high	98.2	Very high	3 Å²	3	12.1 Å²	12.1	1%	0.014	6%	0.06	C	C	.	.	H	α-helix	trans	-55.5	-29.7	175.3	-71	151.1	-94.7	0	0	113.8	Q89 P94 Q98 H107 T108 G109 L110 Q111	Q89-Q105 VanDerWaalsContact CD-OE1 3.3Å; P94-Q105 VanDerWaalsContact CB-CD 3.42Å; P94-Q105 HydrophobicContact CB-CG 4.12Å; P94-Q105 HydrophobicContact CG-CG 4.4Å; Q98-Q105 HydrophobicContact CG-CG 4.39Å; Q105-H107 PolarHBondContact O-N 3.23Å; Q105-H107 VanDerWaalsContact O-N 3.12Å; Q105-T108 WeakPolarHBondContact CA-OG1 3.4Å; Q105-T108 PolarHBondContact O-N 3.23Å; Q105-T108 VanDerWaalsContact O-N 3.09Å; Q105-T108 PolarHBondContact O-OG1 2.75Å; Q105-G109 PolarHBondContact O-N 3.38Å; Q105-L110 HydrophobicContact CG-CB 4.3Å; Q105-L110 VanDerWaalsContact CG-O 3.27Å; Q105-L110 WeakPolarHBondContact CG-O 3.13Å; Q105-L110 PolarHBondContact NE2-O 2.96Å; Q105-L110 PolarHBondContact O-N 3.34Å; Q105-Q111 HydrophobicContact CB-CG 4.29Å; Q105-Q111 PolarHBondContact NE2-O 2.68Å
106	I	98.4	Very high	98	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-61.2	-17.6	176.7	59.9	152.1	0	0	0	113	Y104 Q111 L389 I392 Y495 A499 V500	Y104-I106 PolarHBondContact O-N 3.4Å; Y104-I106 VanDerWaalsContact O-N 3.1Å; I106-Q111 HydrophobicContact CB-CG 4.47Å; I106-Q111 HydrophobicContact CG2-CG 3.92Å; I106-L389 HydrophobicContact CD1-CD2 3.59Å; I106-L389 HydrophobicContact CG1-CD2 3.91Å; I106-L389 HydrophobicContact CG2-CD2 3.93Å; I106-I392 HydrophobicContact CG2-CB 4.13Å; I106-I392 HydrophobicContact CG2-CG1 4.44Å; I106-Y495 HydrophobicContact CD1-CD1 4Å; I106-Y495 HydrophobicContact CD1-CG 4.49Å; I106-A499 HydrophobicContact CB-CB 3.99Å; I106-A499 HydrophobicContact CG2-CB 4.45Å; I106-A499 CarbonylContact O-C 3.58Å; I106-A499 VanDerWaalsContact O-CA 3.22Å; I106-A499 WeakPolarHBondContact O-CA 3.4Å; I106-V500 PolarHBondContact O-N 2.69Å
107	H	98.4	Very high	97.9	Very high	26 Å²	26	17.6 Å²	17.6	12%	0.12	8%	0.083	C	C	.	.	H	α-helix	trans	-102.7	-11.4	175	-62.2	169.1	0	0	0	113.9	R103 Y104 Q105 D369 T498	R103-H107 PolarHBondContact NH2-ND1 3.22Å; R103-H107 VanDerWaalsContact NH2-ND1 3.12Å; Y104-H107 PolarHBondContact O-N 3.31Å; Q105-H107 PolarHBondContact O-N 3.23Å; Q105-H107 VanDerWaalsContact O-N 3.12Å; H107-D369 IonicContact CE1-OD1 2.85Å; H107-D369 PolarHBondContact CE1-OD1 2.74Å; H107-D369 VanDerWaalsContact CE1-OD1 3.29Å; H107-D369 IonicContact CE1-OD2 2.74Å; H107-D369 PolarHBondContact CE1-OD2 3.32Å; H107-D369 IonicContact ND1-OD1 2.8Å; H107-D369 IonicContact ND1-OD2 3.38Å; H107-D369 PolarHBondContact ND1-OD2 2.85Å; H107-T498 PolarHBondContact CD2-O 2.88Å; H107-T498 PolarHBondContact NE2-OG1 3.22Å
108	T	97.8	Very high	97.8	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.012	9%	0.093	C	C	.	.	H	α-helix	trans	-105.9	-10	179.8	63.7	0	0	0	0	113.7	R103 Q105 L110 P124 Q127	R103-T108 HydrophobicContact CB-CG2 4.47Å; Q105-T108 WeakPolarHBondContact CA-OG1 3.4Å; Q105-T108 PolarHBondContact O-N 3.23Å; Q105-T108 VanDerWaalsContact O-N 3.09Å; Q105-T108 PolarHBondContact O-OG1 2.75Å; T108-L110 VanDerWaalsContact C-N 3.29Å; T108-P124 WeakPolarHBondContact O-CG 3.37Å; T108-Q127 HydrophobicContact CG2-CG 4.42Å
109	G	97.9	Very high	97.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	7.6	-175.6	0	0	0	0	0	113.6	Q105 Q111 V500 R503	Q105-G109 PolarHBondContact O-N 3.38Å; G109-Q111 VanDerWaalsContact C-N 3.34Å; G109-Q111 PolarHBondContact O-N 3.24Å; G109-Q111 PolarHBondContact O-OE1 3.42Å; G109-V500 VanDerWaalsContact N-CG2 3.29Å; G109-R503 PolarHBondContact O-N 2.95Å
110	L	98.1	Very high	97.6	Very high	8 Å²	8	21.5 Å²	21.5	4%	0.042	10%	0.1	C	C	.	.			trans	-96.5	30	-176.8	-58.5	177.8	0	0	0	112.5	T93 Q105 T108 H112 I115 L123	T93-L110 HydrophobicContact CG2-CD1 4.46Å; Q105-L110 HydrophobicContact CG-CB 4.3Å; Q105-L110 VanDerWaalsContact CG-O 3.27Å; Q105-L110 WeakPolarHBondContact CG-O 3.13Å; Q105-L110 PolarHBondContact NE2-O 2.96Å; Q105-L110 PolarHBondContact O-N 3.34Å; T108-L110 VanDerWaalsContact C-N 3.29Å; L110-H112 VanDerWaalsContact C-N 3.33Å; L110-H112 PolarHBondContact O-N 3.43Å; L110-I115 HydrophobicContact CD1-CD1 4.48Å; L110-I115 HydrophobicContact CD2-CD1 4.04Å; L110-I115 HydrophobicContact CD2-CG1 4.19Å; L110-L123 HydrophobicContact CD1-CD1 4.25Å
111	Q	97.6	Very high	97.6	Very high	6 Å²	6	21.6 Å²	21.6	3%	0.028	10%	0.101	C	C	.	.			trans	-65.1	-36.8	-176.5	-58.8	94.1	-38.3	0	0	112.5	Q105 I106 G109 N391 I392 V500 V502	Q105-Q111 HydrophobicContact CB-CG 4.29Å; Q105-Q111 PolarHBondContact NE2-O 2.68Å; I106-Q111 HydrophobicContact CB-CG 4.47Å; I106-Q111 HydrophobicContact CG2-CG 3.92Å; G109-Q111 VanDerWaalsContact C-N 3.34Å; G109-Q111 PolarHBondContact O-N 3.24Å; G109-Q111 PolarHBondContact O-OE1 3.42Å; Q111-N391 PolarHBondContact O-ND2 2.9Å; Q111-I392 WeakPolarHBondContact CB-O 3.41Å; Q111-I392 WeakPolarHBondContact CG-O 3.45Å; Q111-V500 PolarHBondContact NE2-O 3.31Å; Q111-V502 HydrophobicContact CB-CG2 4.24Å
112	H	96.9	Very high	97.5	Very high	38 Å²	38	21.4 Å²	21.4	18%	0.176	10%	0.1	C	C	.	.	S	Bend	trans	-98.2	125.6	-173	-172.7	65.9	0	0	0	111.7	L110 D393 L395 V502 Y504	L110-H112 VanDerWaalsContact C-N 3.33Å; L110-H112 PolarHBondContact O-N 3.43Å; H112-D393 WeakPolarHBondContact CA-OD2 3.21Å; H112-D393 IonicContact CE1-OD2 2.75Å; H112-D393 IonicContact CG-OD1 3.67Å; H112-D393 IonicContact CG-OD2 3.65Å; H112-D393 IonicContact ND1-OD1 3.67Å; H112-D393 PolarHBondContact ND1-OD1 3.2Å; H112-D393 IonicContact ND1-OD2 3.53Å; H112-D393 PolarHBondContact ND1-OD2 2.99Å; H112-L395 HydrophobicContact CB-CB 4.45Å; H112-L395 HydrophobicContact CB-CD1 4.03Å; H112-V502 HydrophobicContact CB-CG1 3.59Å; H112-Y504 AromaticContact CD2-CD1 3.71Å; H112-Y504 AromaticContact CD2-CD2 3.89Å; H112-Y504 AromaticContact CD2-CE1 3.78Å; H112-Y504 AromaticContact CD2-CE2 3.98Å; H112-Y504 AromaticContact CD2-CG 3.74Å; H112-Y504 AromaticContact CD2-CZ 3.9Å
113	S	95.4	Very high	97.4	Very high	36 Å²	36	21.5 Å²	21.5	25%	0.252	10%	0.1	S	C	.	.	S	Bend	trans	57.7	-154.7	169.1	-169.1	0	0	0	0	113.5	I91 Y504	I91-S113 VanDerWaalsContact CD1-O 3.28Å; I91-S113 WeakPolarHBondContact CD1-O 3.29Å; S113-Y504 PolarHBondContact OG-OH 3.42Å
114	I	97	Very high	97.3	Very high	56 Å²	56	19.3 Å²	19.3	29%	0.287	9%	0.094	S	C	.	.			trans	-110.9	166.4	172.8	58.2	172.5	0	0	0	110.3	I91 R116 Q119	I91-I114 HydrophobicContact CB-CG2 4.19Å; I91-I114 HydrophobicContact CD1-CG2 3.98Å; I114-R116 PolarHBondContact O-N 3.47Å; I114-Q119 PolarHBondContact O-OE1 3.23Å
115	I	98	Very high	97.1	Very high	6 Å²	6	23.3 Å²	23.3	3%	0.031	11%	0.112	C	C	.	.			trans	-77.7	115.1	168.4	-66.8	157.1	0	0	0	108.2	T93 L110 N121 H148	T93-I115 HydrophobicContact CG2-CB 4.38Å; T93-I115 HydrophobicContact CG2-CD1 3.73Å; T93-I115 HydrophobicContact CG2-CG1 3.93Å; T93-I115 PolarHBondContact OG1-N 2.96Å; L110-I115 HydrophobicContact CD1-CD1 4.48Å; L110-I115 HydrophobicContact CD2-CD1 4.04Å; L110-I115 HydrophobicContact CD2-CG1 4.19Å; I115-N121 HydrophobicContact CG1-CB 4.43Å; I115-N121 HydrophobicContact CG2-CB 4.43Å; I115-N121 WeakPolarHBondContact CG2-O 3.48Å; I115-H148 PolarHBondContact O-NE2 2.83Å
116	R	96.3	Very high	96.8	Very high	100 Å²	100	29 Å²	29	38%	0.377	14%	0.142	S	C	.	.			trans	-75.1	155.9	175.3	-64.9	-175.4	171.9	-159.6	-7.5	111.7	I114 R118 Q119 E507	I114-R116 PolarHBondContact O-N 3.47Å; R116-R118 VanDerWaalsContact C-N 3.29Å; R116-R118 PolarHBondContact O-N 3.37Å; R116-Q119 HydrophobicContact CB-CB 4.49Å; R116-Q119 HydrophobicContact CB-CG 4.03Å; R116-Q119 PolarHBondContact O-N 2.85Å; R116-E507 VanDerWaalsContact CD-OE1 3.27Å; R116-E507 WeakPolarHBondContact CD-OE1 3.34Å; R116-E507 IonicContact CZ-OE1 3.19Å; R116-E507 IonicContact NE-OE1 2.73Å; R116-E507 IonicContact NH1-OE1 2.82Å; R116-E507 PolarHBondContact NH1-OE1 3.21Å
117	P	96.4	Very high	96.6	Very high	17 Å²	17	29.6 Å²	29.6	11%	0.11	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-40.7	-178.9	-28.4	37.3	0	0	0	114.3	F151 T171 D183 W520 W523	P117-F151 HydrophobicContact CB-CZ 4.11Å; P117-F151 VanDerWaalsContact O-CZ 3.31Å; P117-F151 WeakPolarHBondContact O-CZ 3.43Å; P117-T171 HydrophobicContact CB-CG2 4.13Å; P117-T171 HydrophobicContact CG-CG2 4.09Å; P117-D183 HydrophobicContact CB-CB 4.48Å; P117-D183 HydrophobicContact CG-CB 4.22Å; P117-W520 HydrophobicContact CB-CD2 4.04Å; P117-W520 HydrophobicContact CB-CE3 3.67Å; P117-W520 HydrophobicContact CB-CH2 3.58Å; P117-W520 HydrophobicContact CB-CZ2 3.94Å; P117-W520 HydrophobicContact CB-CZ3 3.43Å; P117-W520 VanDerWaalsContact CB-CZ3 3.43Å; P117-W523 WeakPolarHBondContact O-CH2 3.37Å; P117-W523 WeakPolarHBondContact O-CZ3 3.14Å
118	R	96	Very high	96.5	Very high	56 Å²	56	31.1 Å²	31.1	21%	0.211	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	4	179.2	-66.1	-171.6	-81.5	123	12.4	115.5	R116 D183 L187 E507 D508 A511 W520	R116-R118 VanDerWaalsContact C-N 3.29Å; R116-R118 PolarHBondContact O-N 3.37Å; R118-D183 IonicContact CZ-OD2 3.42Å; R118-D183 IonicContact NE-OD2 3.8Å; R118-D183 PolarHBondContact NE-OD2 2.93Å; R118-D183 IonicContact NH2-OD2 2.82Å; R118-D183 PolarHBondContact NH2-OD2 2.98Å; R118-L187 HydrophobicContact CG-CD2 3.98Å; R118-E507 HydrophobicContact CB-CB 3.96Å; R118-E507 HydrophobicContact CB-CG 4.25Å; R118-E507 IonicContact CZ-OE2 3.58Å; R118-E507 IonicContact NH1-OE2 3.69Å; R118-E507 PolarHBondContact NH1-OE2 3.02Å; R118-E507 IonicContact NH2-OE1 3.89Å; R118-E507 IonicContact NH2-OE2 2.72Å; R118-E507 PolarHBondContact NH2-OE2 3.27Å; R118-E507 CarbonylContact O-C 3.58Å; R118-E507 WeakPolarHBondContact O-CA 3.34Å; R118-D508 PolarHBondContact O-N 2.99Å; R118-A511 HydrophobicContact CB-CB 3.94Å; R118-A511 HydrophobicContact CG-CB 3.83Å; R118-W520 HydrophobicContact CG-CH2 3.94Å; R118-W520 HydrophobicContact CG-CZ3 3.89Å
119	Q	96.6	Very high	96.6	Very high	4 Å²	4	31 Å²	31	2%	0.019	16%	0.155	C	C	.	.			trans	-85.3	129.5	179.6	-81.1	179	-50.3	0	0	110.8	I114 R116 N121 Y504 P505 E507	I114-Q119 PolarHBondContact O-OE1 3.23Å; R116-Q119 HydrophobicContact CB-CB 4.49Å; R116-Q119 HydrophobicContact CB-CG 4.03Å; R116-Q119 PolarHBondContact O-N 2.85Å; Q119-N121 HydrophobicContact CB-CB 4.32Å; Q119-N121 PolarHBondContact O-N 3.46Å; Q119-Y504 VanDerWaalsContact NE2-CE2 3.32Å; Q119-P505 HydrophobicContact CB-CG 4.47Å; Q119-P505 PolarHBondContact NE2-O 3.37Å; Q119-E507 HydrophobicContact CG-CG 4.28Å
120	P	97.3	Very high	96.6	Very high	25 Å²	25	31 Å²	31	16%	0.162	16%	0.155	C	C	.	.	S	Bend	trans	-76.2	63.8	174	33.2	-35.2	0	0	0	110.1	Y152 P505 S506 D508 W523 M524	P120-Y152 HydrophobicContact CB-CD2 3.81Å; P120-Y152 HydrophobicContact CB-CE2 4.15Å; P120-Y152 HydrophobicContact CB-CG 4.24Å; P120-P505 HydrophobicContact CG-CB 4.12Å; P120-P505 HydrophobicContact CG-CG 4.08Å; P120-S506 VanDerWaalsContact CD-O 3.23Å; P120-S506 WeakPolarHBondContact CD-O 3.48Å; P120-D508 HydrophobicContact CG-CB 4.46Å; P120-W523 HydrophobicContact CB-CZ2 4.2Å; P120-M524 HydrophobicContact CB-CE 3.48Å; P120-M524 VanDerWaalsContact CB-CE 3.48Å; P120-M524 HydrophobicContact CB-SD 4.28Å; P120-M524 HydrophobicContact CG-CE 4.31Å
121	N	97.6	Very high	96.6	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.016	15%	0.153	C	C	.	.			trans	-141.5	145.2	-174.3	-162.6	10.9	0	0	0	109.9	I115 Q119 G150 R503 P505	I115-N121 HydrophobicContact CG1-CB 4.43Å; I115-N121 HydrophobicContact CG2-CB 4.43Å; I115-N121 WeakPolarHBondContact CG2-O 3.48Å; Q119-N121 HydrophobicContact CB-CB 4.32Å; Q119-N121 PolarHBondContact O-N 3.46Å; N121-G150 WeakPolarHBondContact O-CA 3.25Å; N121-R503 PolarHBondContact ND2-O 2.74Å; N121-R503 PolarHBondContact OD1-NH1 3.47Å; N121-R503 PolarHBondContact OD1-NH2 3.11Å; N121-P505 HydrophobicContact CB-CG 3.89Å
122	C	97.9	Very high	96.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.163	C	C	.	.			trans	-156.2	176.7	170.8	78	0	0	0	0	110.2	L149 Y152 C156 R503	C122-L149 CarbonylContact C-O 3.51Å; C122-L149 WeakPolarHBondContact CA-O 3.46Å; C122-L149 VanDerWaalsContact CB-O 3.23Å; C122-L149 WeakPolarHBondContact CB-O 3.31Å; C122-Y152 HydrophobicContact CB-CD1 4.14Å; C122-Y152 HydrophobicContact CB-CE1 4.05Å; C122-C156 HydrophobicContact CB-CB 3.41Å; C122-C156 VanDerWaalsContact CB-CB 3.41Å; C122-C156 WeakPolarHBondContact CB-SG 3.35Å; C122-C156 WeakPolarHBondContact SG-CB 3.35Å; C122-C156 CovalentContact SG-SG 2.04Å; C122-C156 PolarHBondContact SG-SG 3.38Å; C122-R503 PolarHBondContact O-NH1 2.88Å
123	L	97.1	Very high	96.7	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.163	C	C	.	.	S	Bend	trans	-47	129.1	169.1	-164.6	69.3	0	0	0	109.4	I100 T101 L110 T129 L149 R161	I100-L123 HydrophobicContact CG2-CD2 3.88Å; T101-L123 HydrophobicContact CG2-CD1 3.75Å; T101-L123 HydrophobicContact CG2-CD2 3.83Å; T101-L123 HydrophobicContact CG2-CG 4.13Å; L110-L123 HydrophobicContact CD1-CD1 4.25Å; L123-T129 HydrophobicContact CD2-CG2 4.07Å; L123-L149 HydrophobicContact CB-CB 4.42Å; L123-L149 HydrophobicContact CD2-CD1 4.42Å; L123-L149 PolarHBondContact N-O 2.63Å; L123-R161 PolarHBondContact O-NH2 2.95Å
124	P	96.3	Very high	96.9	Very high	13 Å²	13	31.3 Å²	31.3	8%	0.084	15%	0.151	C	C	.	.			trans	-59.6	143.2	-174.9	-19.5	28.3	0	0	0	112.5	T108 D126 Q127	T108-P124 WeakPolarHBondContact O-CG 3.37Å; P124-D126 WeakPolarHBondContact CB-OD1 3.47Å; P124-D126 PolarHBondContact O-N 3.01Å; P124-Q127 HydrophobicContact CB-CG 4.01Å; P124-Q127 HydrophobicContact CG-CG 4.18Å; P124-Q127 PolarHBondContact O-N 2.78Å
125	F	94.2	Very high	96.9	Very high	89 Å²	89	32 Å²	32	39%	0.39	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-21.1	-173.5	-57.1	-68.6	0	0	0	114.4	Q127 E155 R161	F125-Q127 VanDerWaalsContact C-N 3.31Å; F125-E155 HydrophobicContact CD1-CB 3.76Å; F125-E155 HydrophobicContact CE1-CB 3.38Å; F125-E155 HydrophobicContact CE1-CG 4.44Å; F125-E155 HydrophobicContact CZ-CB 4.31Å; F125-R161 VanDerWaalsContact CE1-NH2 3.28Å
126	D	92.1	Very high	96.9	Very high	123 Å²	123	37.4 Å²	37.4	66%	0.658	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-1.5	178.2	66.6	-31.9	0	0	0	113.9	P124	P124-D126 WeakPolarHBondContact CB-OD1 3.47Å; P124-D126 PolarHBondContact O-N 3.01Å
127	Q	94.1	Very high	97	Very high	13 Å²	13	34.8 Å²	34.8	6%	0.061	17%	0.171	C	C	.	.			trans	-90.9	114	176.9	-49.7	-50.4	-58.5	0	0	111.2	T101 T108 P124 F125 T129	T101-Q127 HydrophobicContact CG2-CB 3.75Å; T101-Q127 HydrophobicContact CG2-CG 4.28Å; T108-Q127 HydrophobicContact CG2-CG 4.42Å; P124-Q127 HydrophobicContact CB-CG 4.01Å; P124-Q127 HydrophobicContact CG-CG 4.18Å; P124-Q127 PolarHBondContact O-N 2.78Å; F125-Q127 VanDerWaalsContact C-N 3.31Å; Q127-T129 PolarHBondContact O-N 3.29Å
128	V	96.3	Very high	97	Very high	57 Å²	57	35.7 Å²	35.7	35%	0.345	18%	0.184	S	C	.	.			trans	-71.9	119.8	172.3	-173.8	0	0	0	0	109.5	Q132 R133 Y351	V128-Q132 HydrophobicContact CG1-CB 4.19Å; V128-R133 HydrophobicContact CG1-CG 4.13Å; V128-Y351 WeakPolarHBondContact O-CE2 3.49Å; V128-Y351 PolarHBondContact O-OH 3.25Å
129	T	98.5	Very high	97.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.174	C	C	.	.			trans	-82	156.4	-173.5	70.7	0	0	0	0	112.7	I100 L123 Q127 P131 Q132 R133 R161	I100-T129 HydrophobicContact CG2-CG2 3.79Å; I100-T129 CarbonylContact O-C 3.44Å; I100-T129 VanDerWaalsContact O-CA 3.31Å; I100-T129 WeakPolarHBondContact O-CA 3.21Å; L123-T129 HydrophobicContact CD2-CG2 4.07Å; Q127-T129 PolarHBondContact O-N 3.29Å; T129-P131 WeakPolarHBondContact OG1-CG 3.37Å; T129-Q132 WeakPolarHBondContact O-CB 3.35Å; T129-Q132 PolarHBondContact O-N 2.97Å; T129-Q132 VanDerWaalsContact O-N 3.15Å; T129-Q132 WeakPolarHBondContact OG1-CB 3.44Å; T129-Q132 WeakPolarHBondContact OG1-CG 3.39Å; T129-Q132 PolarHBondContact OG1-N 2.67Å; T129-Q132 PolarHBondContact OG1-OE1 3.42Å; T129-R133 PolarHBondContact O-N 2.9Å; T129-R161 HydrophobicContact CG2-CB 4.32Å; T129-R161 PolarHBondContact OG1-O 2.91Å
130	L	98.8	Very high	97.2	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-51.3	-53.1	172	171.2	60.8	0	0	0	112.2	I100 Q132 R133 L134 F230 Y351 L354 V355	I100-L130 PolarHBondContact O-N 3.48Å; L130-Q132 VanDerWaalsContact C-N 3.32Å; L130-Q132 PolarHBondContact O-N 3.31Å; L130-R133 WeakPolarHBondContact O-CB 3.14Å; L130-R133 PolarHBondContact O-N 2.75Å; L130-R133 VanDerWaalsContact O-N 3.08Å; L130-L134 HydrophobicContact CD1-CD1 3.82Å; L130-L134 HydrophobicContact CD1-CD2 4.49Å; L130-L134 HydrophobicContact CD1-CG 3.95Å; L130-L134 HydrophobicContact CG-CD1 3.98Å; L130-L134 HydrophobicContact CG-CG 4.47Å; L130-L134 WeakPolarHBondContact O-CG 3.3Å; L130-L134 PolarHBondContact O-N 3.41Å; L130-F230 HydrophobicContact CD2-CZ 4.07Å; L130-Y351 HydrophobicContact CB-CD2 3.64Å; L130-Y351 HydrophobicContact CB-CE2 4Å; L130-Y351 HydrophobicContact CB-CG 4.33Å; L130-Y351 HydrophobicContact CD1-CG 4.48Å; L130-L354 HydrophobicContact CD1-CB 4.07Å; L130-L354 HydrophobicContact CD2-CD1 3.82Å; L130-V355 HydrophobicContact CD1-CG2 4Å
131	P	98.7	Very high	97.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.8	-33.9	177.1	24.4	-36.5	0	0	0	113.3	T129 R133 L134 Q135 T141 R161 G162 F163 F230	T129-P131 WeakPolarHBondContact OG1-CG 3.37Å; P131-R133 PolarHBondContact O-N 3.11Å; P131-L134 PolarHBondContact O-N 2.96Å; P131-Q135 WeakPolarHBondContact O-CG 3.47Å; P131-Q135 PolarHBondContact O-N 2.66Å; P131-T141 HydrophobicContact CB-CG2 4.22Å; P131-R161 WeakPolarHBondContact CG-O 3.41Å; P131-G162 WeakPolarHBondContact CB-O 3.35Å; P131-F163 HydrophobicContact CB-CD1 3.93Å; P131-F163 HydrophobicContact CB-CD2 4.41Å; P131-F163 HydrophobicContact CB-CE1 3.76Å; P131-F163 HydrophobicContact CB-CE2 4.26Å; P131-F163 HydrophobicContact CB-CG 4.27Å; P131-F163 HydrophobicContact CB-CZ 3.94Å; P131-F163 HydrophobicContact CG-CD1 4.4Å; P131-F163 HydrophobicContact CG-CD2 4.08Å; P131-F163 HydrophobicContact CG-CE1 4.02Å; P131-F163 HydrophobicContact CG-CE2 3.69Å; P131-F163 HydrophobicContact CG-CG 4.44Å; P131-F163 HydrophobicContact CG-CZ 3.66Å; P131-F230 HydrophobicContact CB-CD1 4.23Å; P131-F230 HydrophobicContact CB-CE1 4.03Å
132	Q	98.5	Very high	97.3	Very high	50 Å²	50	32.9 Å²	32.9	23%	0.234	17%	0.172	C	C	.	.	H	α-helix	trans	-62.4	-39.4	170.6	-74.9	171.1	-29.3	0	0	112.3	V128 T129 L130 Q136	V128-Q132 HydrophobicContact CG1-CB 4.19Å; T129-Q132 WeakPolarHBondContact O-CB 3.35Å; T129-Q132 PolarHBondContact O-N 2.97Å; T129-Q132 VanDerWaalsContact O-N 3.15Å; T129-Q132 WeakPolarHBondContact OG1-CB 3.44Å; T129-Q132 WeakPolarHBondContact OG1-CG 3.39Å; T129-Q132 PolarHBondContact OG1-N 2.67Å; T129-Q132 PolarHBondContact OG1-OE1 3.42Å; L130-Q132 VanDerWaalsContact C-N 3.32Å; L130-Q132 PolarHBondContact O-N 3.31Å; Q132-Q136 VanDerWaalsContact O-CG 3.32Å; Q132-Q136 WeakPolarHBondContact O-CG 3.29Å; Q132-Q136 PolarHBondContact O-N 3.42Å
133	R	98.2	Very high	97.4	Very high	44 Å²	44	32.9 Å²	32.9	17%	0.166	17%	0.172	C	C	.	.	H	α-helix	trans	-66.3	-38.6	173.4	-66.9	-53.8	-161.3	-176.5	4.8	112.6	V128 T129 L130 P131 Q136 L137 Y351 V355 L364	V128-R133 HydrophobicContact CG1-CG 4.13Å; T129-R133 PolarHBondContact O-N 2.9Å; L130-R133 WeakPolarHBondContact O-CB 3.14Å; L130-R133 PolarHBondContact O-N 2.75Å; L130-R133 VanDerWaalsContact O-N 3.08Å; P131-R133 PolarHBondContact O-N 3.11Å; R133-Q136 VanDerWaalsContact CD-OE1 3.27Å; R133-Q136 WeakPolarHBondContact O-CB 3.48Å; R133-Q136 PolarHBondContact O-N 3.11Å; R133-L137 WeakPolarHBondContact O-CG 3.46Å; R133-L137 PolarHBondContact O-N 3Å; R133-L137 VanDerWaalsContact O-N 3.12Å; R133-Y351 HydrophobicContact CG-CE1 4.06Å; R133-Y351 WeakPolarHBondContact CG-OH 3.41Å; R133-V355 HydrophobicContact CB-CG2 3.79Å; R133-V355 HydrophobicContact CG-CG2 4.29Å; R133-L364 PolarHBondContact NE-O 3Å; R133-L364 PolarHBondContact NH2-O 3.21Å; R133-L364 VanDerWaalsContact NH2-O 3.17Å
134	L	98.7	Very high	97.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-69.5	-38.2	178	-66.1	174.3	0	0	0	111.4	I48 L130 P131 L137 G138 Y139 T141 F230 A358	I48-L134 HydrophobicContact CD1-CD1 4.37Å; I48-L134 HydrophobicContact CD1-CD2 4.18Å; L130-L134 HydrophobicContact CD1-CD1 3.82Å; L130-L134 HydrophobicContact CD1-CD2 4.49Å; L130-L134 HydrophobicContact CD1-CG 3.95Å; L130-L134 HydrophobicContact CG-CD1 3.98Å; L130-L134 HydrophobicContact CG-CG 4.47Å; L130-L134 WeakPolarHBondContact O-CG 3.3Å; L130-L134 PolarHBondContact O-N 3.41Å; P131-L134 PolarHBondContact O-N 2.96Å; L134-L137 CarbonylContact O-C 3.25Å; L134-L137 VanDerWaalsContact O-C 3.31Å; L134-L137 WeakPolarHBondContact O-CA 3.4Å; L134-L137 PolarHBondContact O-N 3.43Å; L134-G138 PolarHBondContact O-N 3.11Å; L134-G138 VanDerWaalsContact O-N 3.17Å; L134-Y139 HydrophobicContact CB-CD2 4.45Å; L134-Y139 HydrophobicContact CB-CG 4.11Å; L134-Y139 HydrophobicContact CD2-CD2 4.36Å; L134-Y139 HydrophobicContact CD2-CE2 4.45Å; L134-Y139 HydrophobicContact CD2-CG 4.47Å; L134-Y139 WeakPolarHBondContact O-CB 3.43Å; L134-Y139 PolarHBondContact O-N 3.46Å; L134-T141 HydrophobicContact CB-CG2 4.27Å; L134-F230 HydrophobicContact CD1-CB 3.93Å; L134-F230 HydrophobicContact CD1-CD1 3.52Å; L134-F230 HydrophobicContact CD1-CD2 3.99Å; L134-F230 HydrophobicContact CD1-CE1 3.94Å; L134-F230 HydrophobicContact CD1-CE2 4.36Å; L134-F230 HydrophobicContact CD1-CG 3.54Å; L134-F230 HydrophobicContact CD1-CZ 4.33Å; L134-A358 HydrophobicContact CD2-CB 3.49Å; L134-A358 VanDerWaalsContact CD2-CB 3.49Å
135	Q	97.8	Very high	97.6	Very high	71 Å²	71	32.2 Å²	32.2	33%	0.332	17%	0.168	S	C	.	.	H	α-helix	trans	-58.9	-43.9	168.8	-76.3	177.7	-38.9	0	0	112	P131 L137 G138 T141 G162 D164	P131-Q135 WeakPolarHBondContact O-CG 3.47Å; P131-Q135 PolarHBondContact O-N 2.66Å; Q135-L137 PolarHBondContact O-N 3.46Å; Q135-G138 PolarHBondContact O-N 3.16Å; Q135-T141 HydrophobicContact CG-CG2 3.78Å; Q135-G162 PolarHBondContact NE2-O 3.09Å; Q135-G162 VanDerWaalsContact NE2-O 3.16Å; Q135-G162 VanDerWaalsContact OE1-CA 3.22Å; Q135-G162 PolarHBondContact OE1-O 3Å; Q135-D164 PolarHBondContact NE2-OD1 2.94Å
136	Q	97.2	Very high	97.8	Very high	118 Å²	118	28 Å²	28	55%	0.551	15%	0.149	S	C	*	.	H	α-helix	trans	-59.8	-25.8	174	-72.8	168.4	4.4	0	0	112.9	Q132 R133	Q132-Q136 VanDerWaalsContact O-CG 3.32Å; Q132-Q136 WeakPolarHBondContact O-CG 3.29Å; Q132-Q136 PolarHBondContact O-N 3.42Å; R133-Q136 VanDerWaalsContact CD-OE1 3.27Å; R133-Q136 WeakPolarHBondContact O-CB 3.48Å; R133-Q136 PolarHBondContact O-N 3.11Å
137	L	97.7	Very high	98.1	Very high	45 Å²	45	22.3 Å²	22.3	24%	0.236	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	14.2	175.2	-63.7	169.6	0	0	0	113	R133 L134 Q135 Y139 V355 A358 L364	R133-L137 WeakPolarHBondContact O-CG 3.46Å; R133-L137 PolarHBondContact O-N 3Å; R133-L137 VanDerWaalsContact O-N 3.12Å; L134-L137 CarbonylContact O-C 3.25Å; L134-L137 VanDerWaalsContact O-C 3.31Å; L134-L137 WeakPolarHBondContact O-CA 3.4Å; L134-L137 PolarHBondContact O-N 3.43Å; Q135-L137 PolarHBondContact O-N 3.46Å; L137-Y139 HydrophobicContact CB-CD2 4.41Å; L137-V355 HydrophobicContact CD1-CG1 4.15Å; L137-A358 HydrophobicContact CB-CB 4.26Å; L137-A358 HydrophobicContact CD1-CB 3.61Å; L137-L364 HydrophobicContact CD1-CD1 4.14Å; L137-L364 HydrophobicContact CD2-CD1 3.86Å; L137-L364 HydrophobicContact CG-CD1 4.18Å
138	G	97.3	Very high	98.4	Very high	37 Å²	37	22 Å²	22	38%	0.381	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	11	172.6	0	0	0	0	0	116	L134 Q135 Q227	L134-G138 PolarHBondContact O-N 3.11Å; L134-G138 VanDerWaalsContact O-N 3.17Å; Q135-G138 PolarHBondContact O-N 3.16Å; G138-Q227 WeakPolarHBondContact O-CG 3.32Å; G138-Q227 PolarHBondContact O-NE2 2.94Å
139	Y	98.6	Very high	98.5	Very high	3 Å²	3	19.3 Å²	19.3	1%	0.012	10%	0.101	C	C	.	.			trans	-75.6	142.1	175.9	-78.3	-118.6	0	0	0	111.9	P45 P46 I48 L134 L137 P228 F230 A358	P45-Y139 HydrophobicContact CB-CE2 3.87Å; P45-Y139 VanDerWaalsContact CB-OH 3.23Å; P45-Y139 WeakPolarHBondContact CB-OH 3.26Å; P46-Y139 VanDerWaalsContact O-CE1 3.24Å; P46-Y139 WeakPolarHBondContact O-CE1 3.17Å; P46-Y139 PolarHBondContact O-OH 3.3Å; I48-Y139 HydrophobicContact CD1-CD1 4.47Å; I48-Y139 HydrophobicContact CD1-CE1 3.65Å; I48-Y139 HydrophobicContact CG1-CE1 4.05Å; L134-Y139 HydrophobicContact CB-CD2 4.45Å; L134-Y139 HydrophobicContact CB-CG 4.11Å; L134-Y139 HydrophobicContact CD2-CD2 4.36Å; L134-Y139 HydrophobicContact CD2-CE2 4.45Å; L134-Y139 HydrophobicContact CD2-CG 4.47Å; L134-Y139 WeakPolarHBondContact O-CB 3.43Å; L134-Y139 PolarHBondContact O-N 3.46Å; L137-Y139 HydrophobicContact CB-CD2 4.41Å; Y139-P228 WeakPolarHBondContact CA-O 3.42Å; Y139-P228 HydrophobicContact CD1-CB 3.96Å; Y139-P228 HydrophobicContact CD1-CG 4.34Å; Y139-P228 HydrophobicContact CD2-CB 4.1Å; Y139-P228 HydrophobicContact CD2-CG 3.68Å; Y139-P228 HydrophobicContact CE1-CB 3.73Å; Y139-P228 HydrophobicContact CE1-CG 4.39Å; Y139-P228 HydrophobicContact CE2-CB 3.85Å; Y139-P228 HydrophobicContact CE2-CG 3.7Å; Y139-P228 HydrophobicContact CG-CB 4.13Å; Y139-P228 HydrophobicContact CG-CG 3.99Å; Y139-F230 HydrophobicContact CD1-CB 4.02Å; Y139-A358 HydrophobicContact CD2-CB 4.14Å; Y139-A358 HydrophobicContact CE2-CB 3.32Å
140	S	98.4	Very high	98.4	Very high	13 Å²	13	19.4 Å²	19.4	9%	0.091	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	130.6	158.5	-169.3	0	0	0	0	110.1	H142 D164 P228 L229 F230	S140-H142 PolarHBondContact OG-CE1 3.14Å; S140-H142 VanDerWaalsContact OG-CE1 3.29Å; S140-H142 PolarHBondContact OG-NE2 2.7Å; S140-D164 VanDerWaalsContact CA-OD2 3.28Å; S140-D164 WeakPolarHBondContact CA-OD2 3.44Å; S140-D164 PolarHBondContact OG-OD2 2.9Å; S140-D164 VanDerWaalsContact OG-OD2 3.05Å; S140-P228 PolarHBondContact N-O 2.87Å; S140-L229 WeakPolarHBondContact O-CA 3.22Å; S140-F230 PolarHBondContact O-N 3.5Å
141	T	98.9	Very high	98.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.8	-168.5	56.6	0	0	0	0	112	P131 L134 Q135 G162 F163 D164 T165 F230	P131-T141 HydrophobicContact CB-CG2 4.22Å; L134-T141 HydrophobicContact CB-CG2 4.27Å; Q135-T141 HydrophobicContact CG-CG2 3.78Å; T141-G162 WeakPolarHBondContact CB-O 3.44Å; T141-G162 PolarHBondContact OG1-O 3.14Å; T141-F163 CarbonylContact O-C 3.55Å; T141-F163 WeakPolarHBondContact OG1-CA 3.46Å; T141-D164 PolarHBondContact N-OD2 2.77Å; T141-D164 WeakPolarHBondContact O-CB 3.41Å; T141-D164 PolarHBondContact O-N 2.85Å; T141-D164 PolarHBondContact OG1-N 3.32Å; T141-D164 PolarHBondContact OG1-OD2 3.4Å; T141-T165 PolarHBondContact O-N 2.85Å; T141-F230 HydrophobicContact CG2-CB 4.3Å; T141-F230 HydrophobicContact CG2-CD1 4.16Å
142	H	98.9	Very high	98.4	Very high	13 Å²	13	20.8 Å²	20.8	6%	0.06	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	128.7	-178.6	-46.8	-77.5	0	0	0	111.1	S140 T165 I218 F230 I231 F232	S140-H142 PolarHBondContact OG-CE1 3.14Å; S140-H142 VanDerWaalsContact OG-CE1 3.29Å; S140-H142 PolarHBondContact OG-NE2 2.7Å; H142-T165 WeakPolarHBondContact CA-O 3.41Å; H142-T165 PolarHBondContact ND1-OG1 2.79Å; H142-I218 HydrophobicContact CB-CD1 3.81Å; H142-F230 PolarHBondContact N-O 2.81Å; H142-I231 HydrophobicContact CB-CG1 4.14Å; H142-I231 WeakPolarHBondContact O-CA 3.27Å; H142-F232 PolarHBondContact O-N 3.41Å
143	M	98.9	Very high	98.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	134.1	168.9	-178.8	166.7	-175.1	0	0	110.6	K146 W147 P158 F163 T165 Y166 L167 F232	M143-K146 WeakPolarHBondContact CE-O 3.21Å; M143-W147 HydrophobicContact CE-CB 4.24Å; M143-W147 HydrophobicContact CE-CE3 3.93Å; M143-W147 HydrophobicContact SD-CE3 3.59Å; M143-W147 VanDerWaalsContact SD-CE3 3.59Å; M143-W147 HydrophobicContact SD-CZ3 4.11Å; M143-P158 HydrophobicContact SD-CB 4.24Å; M143-P158 HydrophobicContact SD-CG 4.31Å; M143-F163 HydrophobicContact CB-CB 4.24Å; M143-F163 HydrophobicContact CB-CD1 3.65Å; M143-F163 HydrophobicContact CB-CD2 3.79Å; M143-F163 HydrophobicContact CB-CE1 3.8Å; M143-F163 HydrophobicContact CB-CE2 3.93Å; M143-F163 HydrophobicContact CB-CG 3.63Å; M143-F163 HydrophobicContact CB-CZ 3.93Å; M143-F163 HydrophobicContact CG-CE2 4.35Å; M143-F163 HydrophobicContact CG-CZ 4.41Å; M143-F163 HydrophobicContact SD-CD2 4.14Å; M143-F163 HydrophobicContact SD-CE2 3.71Å; M143-F163 HydrophobicContact SD-CZ 4.16Å; M143-T165 PolarHBondContact N-O 2.8Å; M143-Y166 HydrophobicContact CB-CD2 3.97Å; M143-Y166 HydrophobicContact CE-CE2 4.5Å; M143-Y166 HydrophobicContact CG-CD2 3.88Å; M143-Y166 HydrophobicContact CG-CE2 4.07Å; M143-Y166 WeakPolarHBondContact O-CA 3.31Å; M143-Y166 HydrophobicContact SD-CD2 4.32Å; M143-Y166 HydrophobicContact SD-CE2 4.19Å; M143-L167 PolarHBondContact O-N 3.27Å; M143-L167 VanDerWaalsContact O-N 3.12Å; M143-F232 WeakPolarHBondContact CA-O 3.45Å; M143-F232 HydrophobicContact CE-CD1 3.73Å; M143-F232 HydrophobicContact CE-CE1 3.62Å; M143-F232 HydrophobicContact CG-CD1 4.05Å; M143-F232 HydrophobicContact SD-CD1 3.82Å; M143-F232 HydrophobicContact SD-CE1 4.21Å
144	V	98.9	Very high	98.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	119.4	174.1	-171.8	0	0	0	0	109.2	L167 Y211 R214 V215 I218 F232 L233 S234	V144-L167 CarbonylContact C-O 3.35Å; V144-L167 WeakPolarHBondContact CA-O 3.33Å; V144-Y211 HydrophobicContact CG1-CD1 3.68Å; V144-Y211 HydrophobicContact CG1-CG 3.85Å; V144-R214 HydrophobicContact CG1-CB 4.06Å; V144-R214 HydrophobicContact CG1-CG 4.08Å; V144-R214 HydrophobicContact CG2-CB 4.44Å; V144-R214 HydrophobicContact CG2-CG 3.74Å; V144-V215 HydrophobicContact CB-CG2 4.24Å; V144-V215 HydrophobicContact CG2-CG2 3.94Å; V144-I218 HydrophobicContact CG2-CD1 4.04Å; V144-F232 PolarHBondContact N-O 2.82Å; V144-L233 HydrophobicContact CB-CD1 4.02Å; V144-L233 HydrophobicContact CG1-CD1 4.16Å; V144-L233 CarbonylContact O-C 3.52Å; V144-S234 PolarHBondContact O-N 2.99Å
145	G	98.8	Very high	98.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	103.7	-153.8	178.8	0	0	0	0	0	115.1	W147 Y166 L167 G168 S234	G145-W147 PolarHBondContact O-N 2.84Å; G145-Y166 WeakPolarHBondContact O-CE2 3.36Å; G145-L167 PolarHBondContact N-O 3.16Å; G145-G168 WeakPolarHBondContact O-CA 3.23Å; G145-S234 CarbonylContact C-O 3.57Å; G145-S234 WeakPolarHBondContact CA-O 3.24Å
146	K	98.9	Very high	98.2	Very high	1 Å²	1	22 Å²	22	0%	0.004	11%	0.113	C	C	.	.			trans	-67.6	121	-163.2	173.4	179.3	168.7	177.6	0	113.6	D54 C92 R96 M143 H148 S169 G172 S234	D54-K146 IonicContact OD1-NZ 3.61Å; D54-K146 PolarHBondContact OD1-NZ 3Å; D54-K146 WeakPolarHBondContact OD2-CD 3.25Å; D54-K146 WeakPolarHBondContact OD2-CE 3.45Å; D54-K146 IonicContact OD2-NZ 3.3Å; D54-K146 PolarHBondContact OD2-NZ 3.05Å; C92-K146 PolarHBondContact SG-NZ 3.2Å; C92-K146 VanDerWaalsContact SG-NZ 3.43Å; R96-K146 PolarHBondContact NH1-O 3.29Å; M143-K146 WeakPolarHBondContact CE-O 3.21Å; K146-H148 WeakPolarHBondContact CE-ND1 3.48Å; K146-H148 HydrophobicContact CG-CB 4.02Å; K146-S169 WeakPolarHBondContact CA-O 3.37Å; K146-G172 WeakPolarHBondContact CE-O 3.49Å; K146-G172 PolarHBondContact NZ-O 3.42Å; K146-S234 PolarHBondContact N-O 2.94Å; K146-S234 WeakPolarHBondContact O-CB 3.48Å; K146-S234 PolarHBondContact O-OG 3.07Å; K146-S234 VanDerWaalsContact O-OG 3.11Å
147	W	98.8	Very high	98.2	Very high	3 Å²	3	16.8 Å²	16.8	1%	0.011	9%	0.089	C	C	.	.			trans	-81.5	-71.7	174.7	178.2	-130.1	0	0	0	112.5	I100 M143 G145 L149 G150 C156 P158 R161 F163 S169 L170	I100-W147 HydrophobicContact CD1-CZ3 4.45Å; I100-W147 HydrophobicContact CG1-CZ3 4.32Å; I100-W147 HydrophobicContact CG2-CH2 4.4Å; M143-W147 HydrophobicContact CE-CB 4.24Å; M143-W147 HydrophobicContact CE-CE3 3.93Å; M143-W147 HydrophobicContact SD-CE3 3.59Å; M143-W147 VanDerWaalsContact SD-CE3 3.59Å; M143-W147 HydrophobicContact SD-CZ3 4.11Å; G145-W147 PolarHBondContact O-N 2.84Å; W147-L149 VanDerWaalsContact C-N 3.25Å; W147-L149 HydrophobicContact CD2-CB 4.06Å; W147-L149 HydrophobicContact CD2-CG 4.37Å; W147-L149 HydrophobicContact CE3-CB 4.48Å; W147-L149 HydrophobicContact CE3-CD1 4.2Å; W147-L149 HydrophobicContact CE3-CG 4.36Å; W147-L149 HydrophobicContact CH2-CB 4.25Å; W147-L149 HydrophobicContact CH2-CD1 3.75Å; W147-L149 HydrophobicContact CH2-CG 4.43Å; W147-L149 HydrophobicContact CZ2-CB 3.75Å; W147-L149 HydrophobicContact CZ2-CD1 4.14Å; W147-L149 HydrophobicContact CZ2-CG 4.41Å; W147-L149 HydrophobicContact CZ3-CD1 3.78Å; W147-L149 HydrophobicContact CZ3-CG 4.4Å; W147-L149 PolarHBondContact O-N 2.83Å; W147-G150 PolarHBondContact NE1-O 2.89Å; W147-G150 VanDerWaalsContact NE1-O 3.1Å; W147-C156 PolarHBondContact NE1-O 2.88Å; W147-P158 HydrophobicContact CB-CG 4.01Å; W147-P158 HydrophobicContact CD2-CG 3.67Å; W147-P158 HydrophobicContact CE3-CG 4.08Å; W147-P158 HydrophobicContact CG-CG 3.66Å; W147-R161 HydrophobicContact CH2-CB 3.94Å; W147-R161 HydrophobicContact CH2-CG 4.16Å; W147-R161 HydrophobicContact CZ2-CB 4.1Å; W147-R161 HydrophobicContact CZ2-CG 3.85Å; W147-F163 HydrophobicContact CZ3-CE2 4.1Å; W147-S169 PolarHBondContact N-O 3.5Å; W147-L170 HydrophobicContact CB-CD2 4.35Å; W147-L170 HydrophobicContact CG-CD2 4.49Å
148	H	98.7	Very high	98.3	Very high	5 Å²	5	14.7 Å²	14.7	2%	0.023	8%	0.078	C	C	.	.			trans	58.6	27.9	176	-161.2	-159.2	0	0	0	115.7	C92 T93 I115 K146 L170 G172	C92-H148 WeakPolarHBondContact CB-ND1 3.34Å; T93-H148 PolarHBondContact OG1-CD2 3.37Å; T93-H148 PolarHBondContact OG1-CE1 2.99Å; T93-H148 PolarHBondContact OG1-ND1 2.98Å; T93-H148 PolarHBondContact OG1-NE2 2.9Å; T93-H148 PolarHBondContact OG1-O 3.07Å; I115-H148 PolarHBondContact O-NE2 2.83Å; K146-H148 WeakPolarHBondContact CE-ND1 3.48Å; K146-H148 HydrophobicContact CG-CB 4.02Å; H148-L170 WeakPolarHBondContact CA-O 3.4Å; H148-L170 PolarHBondContact N-O 3.49Å; H148-L170 VanDerWaalsContact N-O 3.08Å; H148-G172 WeakPolarHBondContact CD2-CA 3.11Å; H148-G172 VanDerWaalsContact CE1-CA 3.45Å; H148-G172 WeakPolarHBondContact CE1-CA 2.92Å; H148-G172 VanDerWaalsContact NE2-CA 3.31Å; H148-G172 WeakPolarHBondContact NE2-CA 3.49Å
149	L	98.6	Very high	98.3	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	7%	0.07	C	C	.	.	S	Bend	trans	-111.9	24.2	172.3	-59.6	-175.5	0	0	0	113.2	T93 R96 I100 C122 L123 W147	T93-L149 HydrophobicContact CG2-CD2 4.06Å; T93-L149 WeakPolarHBondContact O-CD2 3.2Å; R96-L149 HydrophobicContact CB-CD1 4.38Å; R96-L149 HydrophobicContact CB-CD2 3.74Å; R96-L149 HydrophobicContact CB-CG 4.17Å; I100-L149 HydrophobicContact CB-CD1 4.06Å; I100-L149 HydrophobicContact CG1-CD1 3.91Å; I100-L149 HydrophobicContact CG2-CD1 4.31Å; C122-L149 CarbonylContact C-O 3.51Å; C122-L149 WeakPolarHBondContact CA-O 3.46Å; C122-L149 VanDerWaalsContact CB-O 3.23Å; C122-L149 WeakPolarHBondContact CB-O 3.31Å; L123-L149 HydrophobicContact CB-CB 4.42Å; L123-L149 HydrophobicContact CD2-CD1 4.42Å; L123-L149 PolarHBondContact N-O 2.63Å; W147-L149 VanDerWaalsContact C-N 3.25Å; W147-L149 HydrophobicContact CD2-CB 4.06Å; W147-L149 HydrophobicContact CD2-CG 4.37Å; W147-L149 HydrophobicContact CE3-CB 4.48Å; W147-L149 HydrophobicContact CE3-CD1 4.2Å; W147-L149 HydrophobicContact CE3-CG 4.36Å; W147-L149 HydrophobicContact CH2-CB 4.25Å; W147-L149 HydrophobicContact CH2-CD1 3.75Å; W147-L149 HydrophobicContact CH2-CG 4.43Å; W147-L149 HydrophobicContact CZ2-CB 3.75Å; W147-L149 HydrophobicContact CZ2-CD1 4.14Å; W147-L149 HydrophobicContact CZ2-CG 4.41Å; W147-L149 HydrophobicContact CZ3-CD1 3.78Å; W147-L149 HydrophobicContact CZ3-CG 4.4Å; W147-L149 PolarHBondContact O-N 2.83Å
150	G	98.1	Very high	98.3	Very high	2 Å²	2	20.7 Å²	20.7	2%	0.021	9%	0.093	C	C	.	.			trans	85.1	154.4	179.9	0	0	0	0	0	113.6	N121 W147 C156	N121-G150 WeakPolarHBondContact O-CA 3.25Å; W147-G150 PolarHBondContact NE1-O 2.89Å; W147-G150 VanDerWaalsContact NE1-O 3.1Å; G150-C156 WeakPolarHBondContact O-CB 3.36Å
151	F	97.9	Very high	98.3	Very high	7 Å²	7	20.6 Å²	20.6	3%	0.031	9%	0.091	C	C	.	.			trans	-152.7	8	-171.2	57.1	-94.8	0	0	0	114.1	P117 K153 L157 L170 T171 W520 G521 P522 W523	P117-F151 HydrophobicContact CB-CZ 4.11Å; P117-F151 VanDerWaalsContact O-CZ 3.31Å; P117-F151 WeakPolarHBondContact O-CZ 3.43Å; F151-K153 PolarHBondContact O-N 2.97Å; F151-K153 VanDerWaalsContact O-N 3.14Å; F151-L157 HydrophobicContact CB-CD2 4.02Å; F151-L170 HydrophobicContact CB-CB 4.04Å; F151-L170 HydrophobicContact CB-CD1 3.95Å; F151-L170 HydrophobicContact CB-CD2 4.38Å; F151-L170 HydrophobicContact CB-CG 4.35Å; F151-L170 HydrophobicContact CD1-CB 3.66Å; F151-L170 HydrophobicContact CE1-CB 4.27Å; F151-L170 HydrophobicContact CG-CB 3.85Å; F151-L170 HydrophobicContact CG-CD1 4.22Å; F151-T171 HydrophobicContact CE1-CG2 3.81Å; F151-T171 HydrophobicContact CZ-CG2 3.83Å; F151-W520 HydrophobicContact CE2-CB 4.2Å; F151-W520 HydrophobicContact CE2-CE3 4.3Å; F151-W520 HydrophobicContact CZ-CB 4.29Å; F151-W520 HydrophobicContact CZ-CE3 4.14Å; F151-G521 WeakPolarHBondContact CD2-O 3.44Å; F151-P522 WeakPolarHBondContact O-CA 3.23Å; F151-P522 WeakPolarHBondContact O-CB 3.25Å; F151-P522 WeakPolarHBondContact O-CG 3.49Å; F151-W523 HydrophobicContact CD2-CZ3 4.2Å; F151-W523 HydrophobicContact CE2-CE3 4.48Å; F151-W523 AromaticContact CE2-CZ3 3.83Å; F151-W523 HydrophobicContact CE2-CZ3 3.83Å
152	Y	97.9	Very high	98.3	Very high	24 Å²	24	20.8 Å²	20.8	9%	0.094	9%	0.093	C	C	.	.	S	Bend	trans	-61	-24.8	-173.7	80.5	-77	0	0	0	114.8	P120 C122 C156 P522 W523 M524	P120-Y152 HydrophobicContact CB-CD2 3.81Å; P120-Y152 HydrophobicContact CB-CE2 4.15Å; P120-Y152 HydrophobicContact CB-CG 4.24Å; C122-Y152 HydrophobicContact CB-CD1 4.14Å; C122-Y152 HydrophobicContact CB-CE1 4.05Å; Y152-C156 WeakPolarHBondContact CE1-SG 3.45Å; Y152-P522 WeakPolarHBondContact O-CA 3.27Å; Y152-W523 VanDerWaalsContact CB-CZ2 3.47Å; Y152-W523 PolarHBondContact O-N 3.14Å; Y152-W523 VanDerWaalsContact O-N 3.1Å; Y152-M524 HydrophobicContact CD2-CB 4.2Å; Y152-M524 HydrophobicContact CD2-CE 4.3Å; Y152-M524 HydrophobicContact CD2-CG 4.05Å; Y152-M524 HydrophobicContact CD2-SD 3.44Å; Y152-M524 WeakPolarHBondContact CD2-SD 3.4Å; Y152-M524 HydrophobicContact CE2-SD 3.5Å; Y152-M524 WeakPolarHBondContact CE2-SD 3.16Å; Y152-M524 PolarHBondContact O-N 2.9Å; Y152-M524 VanDerWaalsContact O-N 3.08Å
153	K	97	Very high	98.3	Very high	19 Å²	19	20.3 Å²	20.3	8%	0.083	9%	0.09	C	C	.	.	S	Bend	trans	-123	157.2	171.2	-80.4	-167.9	173.5	-139.3	0	110.8	F151 E155 C156 M524 G525	F151-K153 PolarHBondContact O-N 2.97Å; F151-K153 VanDerWaalsContact O-N 3.14Å; K153-E155 VanDerWaalsContact C-N 3.26Å; K153-E155 PolarHBondContact O-N 3.38Å; K153-C156 VanDerWaalsContact O-CB 3.26Å; K153-C156 WeakPolarHBondContact O-CB 3.2Å; K153-C156 PolarHBondContact O-N 2.89Å; K153-C156 VanDerWaalsContact O-N 3.1Å; K153-M524 HydrophobicContact CG-CB 3.83Å; K153-G525 WeakPolarHBondContact CE-O 3.22Å; K153-G525 PolarHBondContact NZ-O 3.11Å
154	K	96.7	Very high	98.3	Very high	105 Å²	105	24 Å²	24	46%	0.457	11%	0.11	S	C	.	.	G	3₁₀ helix	trans	-60.5	-36	179.5	-71.7	177	-175.5	163.2	0	112.3	C156 L157 R160 P522	K154-C156 PolarHBondContact O-N 2.95Å; K154-C156 VanDerWaalsContact O-N 3.1Å; K154-L157 VanDerWaalsContact O-CB 3.24Å; K154-L157 WeakPolarHBondContact O-CB 3.11Å; K154-L157 VanDerWaalsContact O-CG 3.32Å; K154-L157 WeakPolarHBondContact O-CG 3.39Å; K154-L157 PolarHBondContact O-N 2.86Å; K154-R160 WeakPolarHBondContact O-CG 3.42Å; K154-P522 HydrophobicContact CG-CB 4.31Å; K154-P522 HydrophobicContact CG-CG 4.17Å
155	E	97.1	Very high	98.3	Very high	66 Å²	66	25.8 Å²	25.8	31%	0.308	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-63.1	-19.4	179.7	-64.5	59.3	-117.6	0	0	112.1	F125 K153 R161	F125-E155 HydrophobicContact CD1-CB 3.76Å; F125-E155 HydrophobicContact CE1-CB 3.38Å; F125-E155 HydrophobicContact CE1-CG 4.44Å; F125-E155 HydrophobicContact CZ-CB 4.31Å; K153-E155 VanDerWaalsContact C-N 3.26Å; K153-E155 PolarHBondContact O-N 3.38Å; E155-R161 WeakPolarHBondContact O-CD 3.43Å; E155-R161 PolarHBondContact O-NE 3.21Å
156	C	98.3	Very high	98.3	Very high	1 Å²	1	26 Å²	26	1%	0.007	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-81.9	-16.3	175.2	-55.8	0	0	0	0	113.4	C122 W147 G150 Y152 K153 K154	C122-C156 HydrophobicContact CB-CB 3.41Å; C122-C156 VanDerWaalsContact CB-CB 3.41Å; C122-C156 WeakPolarHBondContact CB-SG 3.35Å; C122-C156 WeakPolarHBondContact SG-CB 3.35Å; C122-C156 CovalentContact SG-SG 2.04Å; C122-C156 PolarHBondContact SG-SG 3.38Å; W147-C156 PolarHBondContact NE1-O 2.88Å; G150-C156 WeakPolarHBondContact O-CB 3.36Å; Y152-C156 WeakPolarHBondContact CE1-SG 3.45Å; K153-C156 VanDerWaalsContact O-CB 3.26Å; K153-C156 WeakPolarHBondContact O-CB 3.2Å; K153-C156 PolarHBondContact O-N 2.89Å; K153-C156 VanDerWaalsContact O-N 3.1Å; K154-C156 PolarHBondContact O-N 2.95Å; K154-C156 VanDerWaalsContact O-N 3.1Å
157	L	98.6	Very high	98.3	Very high	8 Å²	8	26 Å²	26	4%	0.042	12%	0.122	C	C	.	.	S	Bend	trans	-70.1	150	-176.2	-61.6	177.9	0	0	0	112.2	F151 K154 T159 R160 R161 L170 E196 P522	F151-L157 HydrophobicContact CB-CD2 4.02Å; K154-L157 VanDerWaalsContact O-CB 3.24Å; K154-L157 WeakPolarHBondContact O-CB 3.11Å; K154-L157 VanDerWaalsContact O-CG 3.32Å; K154-L157 WeakPolarHBondContact O-CG 3.39Å; K154-L157 PolarHBondContact O-N 2.86Å; L157-T159 PolarHBondContact O-N 2.94Å; L157-T159 VanDerWaalsContact O-N 3.11Å; L157-R160 CarbonylContact O-C 3.55Å; L157-R160 PolarHBondContact O-N 2.98Å; L157-R161 WeakPolarHBondContact O-CG 3.37Å; L157-R161 PolarHBondContact O-N 2.76Å; L157-R161 VanDerWaalsContact O-N 3.12Å; L157-L170 HydrophobicContact CD2-CD1 3.75Å; L157-L170 HydrophobicContact CD2-CD2 3.83Å; L157-L170 HydrophobicContact CD2-CG 4.48Å; L157-E196 HydrophobicContact CD1-CB 4.26Å; L157-E196 HydrophobicContact CD1-CG 3.98Å; L157-P522 HydrophobicContact CD1-CG 3.96Å; L157-P522 HydrophobicContact CD2-CG 4.08Å; L157-P522 HydrophobicContact CG-CG 4.17Å
158	P	98.7	Very high	98.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-51.8	-38	179.5	-28.5	35.5	0	0	0	114.3	M143 W147 R160 R161 G162 F163 Y166 L170	M143-P158 HydrophobicContact SD-CB 4.24Å; M143-P158 HydrophobicContact SD-CG 4.31Å; W147-P158 HydrophobicContact CB-CG 4.01Å; W147-P158 HydrophobicContact CD2-CG 3.67Å; W147-P158 HydrophobicContact CE3-CG 4.08Å; W147-P158 HydrophobicContact CG-CG 3.66Å; P158-R160 VanDerWaalsContact C-N 3.32Å; P158-R160 PolarHBondContact O-N 3.02Å; P158-R161 CarbonylContact O-C 3.54Å; P158-R161 WeakPolarHBondContact O-CA 3.45Å; P158-R161 PolarHBondContact O-N 2.99Å; P158-G162 PolarHBondContact O-N 2.99Å; P158-F163 HydrophobicContact CB-CD2 3.95Å; P158-F163 PolarHBondContact O-N 3.36Å; P158-F163 VanDerWaalsContact O-N 3.17Å; P158-Y166 HydrophobicContact CB-CD1 4.35Å; P158-Y166 HydrophobicContact CB-CD2 3.87Å; P158-Y166 HydrophobicContact CB-CE2 4.31Å; P158-Y166 HydrophobicContact CB-CG 3.88Å; P158-Y166 HydrophobicContact CG-CD1 3.98Å; P158-Y166 HydrophobicContact CG-CD2 3.78Å; P158-Y166 HydrophobicContact CG-CE1 3.93Å; P158-Y166 HydrophobicContact CG-CE2 3.73Å; P158-Y166 HydrophobicContact CG-CG 3.9Å; P158-L170 HydrophobicContact CG-CD2 4.45Å
159	T	98.5	Very high	98.2	Very high	36 Å²	36	25.7 Å²	25.7	22%	0.221	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-62.1	-33.4	176.9	45	0	0	0	0	113.5	L157 F163 E196	L157-T159 PolarHBondContact O-N 2.94Å; L157-T159 VanDerWaalsContact O-N 3.11Å; T159-F163 WeakPolarHBondContact CA-O 3.24Å; T159-E196 WeakPolarHBondContact CB-OE1 3.28Å; T159-E196 HydrophobicContact CG2-CG 4.09Å; T159-E196 VanDerWaalsContact OG1-CG 3.31Å; T159-E196 WeakPolarHBondContact OG1-CG 3.46Å; T159-E196 PolarHBondContact OG1-OE1 3.32Å
160	R	97.9	Very high	98.3	Very high	131 Å²	131	25.7 Å²	25.7	49%	0.494	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-90.9	-2	173.8	-53.3	-56.8	170.3	146.1	0.7	113	K154 L157 P158 E196	K154-R160 WeakPolarHBondContact O-CG 3.42Å; L157-R160 CarbonylContact O-C 3.55Å; L157-R160 PolarHBondContact O-N 2.98Å; P158-R160 VanDerWaalsContact C-N 3.32Å; P158-R160 PolarHBondContact O-N 3.02Å; R160-E196 IonicContact CZ-OE1 3.73Å; R160-E196 IonicContact CZ-OE2 2.71Å; R160-E196 IonicContact NE-OE1 2.93Å; R160-E196 PolarHBondContact NE-OE1 3.22Å; R160-E196 IonicContact NE-OE2 3.06Å; R160-E196 IonicContact NH2-OE1 2.67Å; R160-E196 PolarHBondContact NH2-OE1 3.39Å; R160-E196 IonicContact NH2-OE2 3.22Å; R160-E196 PolarHBondContact NH2-OE2 3.24Å
161	R	98.3	Very high	98.2	Very high	11 Å²	11	25.7 Å²	25.7	4%	0.042	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-109.5	18.6	178.5	-65.2	-57.9	-162.9	-159.4	0.9	113.7	L123 F125 T129 P131 W147 E155 L157 P158	L123-R161 PolarHBondContact O-NH2 2.95Å; F125-R161 VanDerWaalsContact CE1-NH2 3.28Å; T129-R161 HydrophobicContact CG2-CB 4.32Å; T129-R161 PolarHBondContact OG1-O 2.91Å; P131-R161 WeakPolarHBondContact CG-O 3.41Å; W147-R161 HydrophobicContact CH2-CB 3.94Å; W147-R161 HydrophobicContact CH2-CG 4.16Å; W147-R161 HydrophobicContact CZ2-CB 4.1Å; W147-R161 HydrophobicContact CZ2-CG 3.85Å; E155-R161 WeakPolarHBondContact O-CD 3.43Å; E155-R161 PolarHBondContact O-NE 3.21Å; L157-R161 WeakPolarHBondContact O-CG 3.37Å; L157-R161 PolarHBondContact O-N 2.76Å; L157-R161 VanDerWaalsContact O-N 3.12Å; P158-R161 CarbonylContact O-C 3.54Å; P158-R161 WeakPolarHBondContact O-CA 3.45Å; P158-R161 PolarHBondContact O-N 2.99Å
162	G	98.2	Very high	98.1	Very high	4 Å²	4	25.9 Å²	25.9	4%	0.041	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.7	10.2	169.5	0	0	0	0	0	116	P131 Q135 T141 P158	P131-G162 WeakPolarHBondContact CB-O 3.35Å; Q135-G162 PolarHBondContact NE2-O 3.09Å; Q135-G162 VanDerWaalsContact NE2-O 3.16Å; Q135-G162 VanDerWaalsContact OE1-CA 3.22Å; Q135-G162 PolarHBondContact OE1-O 3Å; T141-G162 WeakPolarHBondContact CB-O 3.44Å; T141-G162 PolarHBondContact OG1-O 3.14Å; P158-G162 PolarHBondContact O-N 2.99Å
163	F	98.8	Very high	98	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.009	13%	0.134	C	C	.	.			trans	-94.7	115.6	170.5	-68.2	-72.3	0	0	0	110.8	I100 P131 T141 M143 W147 P158 T159 T165 F230 F232	I100-F163 HydrophobicContact CD1-CE2 4.32Å; I100-F163 HydrophobicContact CD1-CZ 4.15Å; P131-F163 HydrophobicContact CB-CD1 3.93Å; P131-F163 HydrophobicContact CB-CD2 4.41Å; P131-F163 HydrophobicContact CB-CE1 3.76Å; P131-F163 HydrophobicContact CB-CE2 4.26Å; P131-F163 HydrophobicContact CB-CG 4.27Å; P131-F163 HydrophobicContact CB-CZ 3.94Å; P131-F163 HydrophobicContact CG-CD1 4.4Å; P131-F163 HydrophobicContact CG-CD2 4.08Å; P131-F163 HydrophobicContact CG-CE1 4.02Å; P131-F163 HydrophobicContact CG-CE2 3.69Å; P131-F163 HydrophobicContact CG-CG 4.44Å; P131-F163 HydrophobicContact CG-CZ 3.66Å; T141-F163 CarbonylContact O-C 3.55Å; T141-F163 WeakPolarHBondContact OG1-CA 3.46Å; M143-F163 HydrophobicContact CB-CB 4.24Å; M143-F163 HydrophobicContact CB-CD1 3.65Å; M143-F163 HydrophobicContact CB-CD2 3.79Å; M143-F163 HydrophobicContact CB-CE1 3.8Å; M143-F163 HydrophobicContact CB-CE2 3.93Å; M143-F163 HydrophobicContact CB-CG 3.63Å; M143-F163 HydrophobicContact CB-CZ 3.93Å; M143-F163 HydrophobicContact CG-CE2 4.35Å; M143-F163 HydrophobicContact CG-CZ 4.41Å; M143-F163 HydrophobicContact SD-CD2 4.14Å; M143-F163 HydrophobicContact SD-CE2 3.71Å; M143-F163 HydrophobicContact SD-CZ 4.16Å; W147-F163 HydrophobicContact CZ3-CE2 4.1Å; P158-F163 HydrophobicContact CB-CD2 3.95Å; P158-F163 PolarHBondContact O-N 3.36Å; P158-F163 VanDerWaalsContact O-N 3.17Å; T159-F163 WeakPolarHBondContact CA-O 3.24Å; F163-T165 PolarHBondContact O-N 3.3Å; F163-F230 HydrophobicContact CE1-CD1 4.05Å; F163-F230 AromaticContact CE1-CE1 3.64Å; F163-F230 HydrophobicContact CE1-CE1 3.64Å; F163-F230 HydrophobicContact CZ-CE1 4.13Å; F163-F232 HydrophobicContact CE1-CB 3.91Å; F163-F232 HydrophobicContact CZ-CB 3.95Å; F163-F232 AromaticContact CZ-CD1 3.89Å; F163-F232 HydrophobicContact CZ-CD1 3.89Å; F163-F232 HydrophobicContact CZ-CG 4.39Å
164	D	98.7	Very high	98	Very high	78 Å²	78	26 Å²	26	42%	0.417	13%	0.131	S	C	.	.	S	Bend	trans	-55.8	-35.7	175.6	-56.8	-37.2	0	0	0	112	Q135 S140 T141	Q135-D164 PolarHBondContact NE2-OD1 2.94Å; S140-D164 VanDerWaalsContact CA-OD2 3.28Å; S140-D164 WeakPolarHBondContact CA-OD2 3.44Å; S140-D164 PolarHBondContact OG-OD2 2.9Å; S140-D164 VanDerWaalsContact OG-OD2 3.05Å; T141-D164 PolarHBondContact N-OD2 2.77Å; T141-D164 WeakPolarHBondContact O-CB 3.41Å; T141-D164 PolarHBondContact O-N 2.85Å; T141-D164 PolarHBondContact OG1-N 3.32Å; T141-D164 PolarHBondContact OG1-OD2 3.4Å
165	T	98.9	Very high	98	Very high	37 Å²	37	22.8 Å²	22.8	23%	0.227	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	143.6	175.6	84.3	0	0	0	0	112.7	T141 H142 M143 F163 R214	T141-T165 PolarHBondContact O-N 2.85Å; H142-T165 WeakPolarHBondContact CA-O 3.41Å; H142-T165 PolarHBondContact ND1-OG1 2.79Å; M143-T165 PolarHBondContact N-O 2.8Å; F163-T165 PolarHBondContact O-N 3.3Å; T165-R214 PolarHBondContact OG1-NH2 3.35Å
166	Y	98.9	Very high	98.1	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.016	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	141.5	176.4	177.3	-125.5	0	0	0	111.6	M143 G145 P158 G168 S169 L170 H193 G195	M143-Y166 HydrophobicContact CB-CD2 3.97Å; M143-Y166 HydrophobicContact CE-CE2 4.5Å; M143-Y166 HydrophobicContact CG-CD2 3.88Å; M143-Y166 HydrophobicContact CG-CE2 4.07Å; M143-Y166 WeakPolarHBondContact O-CA 3.31Å; M143-Y166 HydrophobicContact SD-CD2 4.32Å; M143-Y166 HydrophobicContact SD-CE2 4.19Å; G145-Y166 WeakPolarHBondContact O-CE2 3.36Å; P158-Y166 HydrophobicContact CB-CD1 4.35Å; P158-Y166 HydrophobicContact CB-CD2 3.87Å; P158-Y166 HydrophobicContact CB-CE2 4.31Å; P158-Y166 HydrophobicContact CB-CG 3.88Å; P158-Y166 HydrophobicContact CG-CD1 3.98Å; P158-Y166 HydrophobicContact CG-CD2 3.78Å; P158-Y166 HydrophobicContact CG-CE1 3.93Å; P158-Y166 HydrophobicContact CG-CE2 3.73Å; P158-Y166 HydrophobicContact CG-CG 3.9Å; Y166-G168 PolarHBondContact OH-O 3.24Å; Y166-S169 PolarHBondContact OH-N 3.26Å; Y166-S169 VanDerWaalsContact OH-N 3.15Å; Y166-S169 PolarHBondContact OH-O 2.73Å; Y166-S169 VanDerWaalsContact OH-O 3.07Å; Y166-L170 HydrophobicContact CE1-CD2 3.82Å; Y166-H193 HydrophobicContact CD1-CB 4.36Å; Y166-H193 HydrophobicContact CE1-CB 3.98Å; Y166-G195 PolarHBondContact O-N 3.09Å
167	L	98.9	Very high	98.1	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.016	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	111.1	161.2	175.3	74.5	0	0	0	108.9	M143 V144 G145 H193 E194 L210 R214	M143-L167 PolarHBondContact O-N 3.27Å; M143-L167 VanDerWaalsContact O-N 3.12Å; V144-L167 CarbonylContact C-O 3.35Å; V144-L167 WeakPolarHBondContact CA-O 3.33Å; G145-L167 PolarHBondContact N-O 3.16Å; L167-H193 CarbonylContact C-O 3.59Å; L167-H193 VanDerWaalsContact CA-O 3.26Å; L167-H193 WeakPolarHBondContact CA-O 3.16Å; L167-E194 HydrophobicContact CD1-CB 3.82Å; L167-E194 HydrophobicContact CD1-CG 4.03Å; L167-L210 HydrophobicContact CD2-CD1 4.35Å; L167-L210 HydrophobicContact CD2-CD2 4.49Å; L167-L210 HydrophobicContact CD2-CG 4.15Å; L167-R214 HydrophobicContact CB-CG 4.09Å; L167-R214 HydrophobicContact CD2-CB 3.58Å; L167-R214 HydrophobicContact CD2-CG 3.64Å
168	G	98.6	Very high	98.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.4	-171	-175.5	0	0	0	0	0	116.1	G145 Y166 L192 H193	G145-G168 WeakPolarHBondContact O-CA 3.23Å; Y166-G168 PolarHBondContact OH-O 3.24Å; G168-L192 WeakPolarHBondContact O-CA 3.49Å; G168-H193 PolarHBondContact N-O 3.3Å; G168-H193 PolarHBondContact O-N 2.91Å
169	S	98.6	Very high	98	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.007	13%	0.125	C	C	.	.			trans	-103.9	132	-178.8	64.5	0	0	0	0	111.2	K146 W147 Y166 D191	K146-S169 WeakPolarHBondContact CA-O 3.37Å; W147-S169 PolarHBondContact N-O 3.5Å; Y166-S169 PolarHBondContact OH-N 3.26Å; Y166-S169 VanDerWaalsContact OH-N 3.15Å; Y166-S169 PolarHBondContact OH-O 2.73Å; Y166-S169 VanDerWaalsContact OH-O 3.07Å; S169-D191 WeakPolarHBondContact CA-OD1 3.45Å; S169-D191 VanDerWaalsContact CB-O 3.3Å; S169-D191 WeakPolarHBondContact CB-O 3.31Å; S169-D191 WeakPolarHBondContact CB-OD2 3.37Å
170	L	98.7	Very high	98	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.135	C	C	.	.	S	Bend	trans	-80.2	-32.5	-178.4	-62.5	174.2	0	0	0	112.7	W147 H148 F151 L157 P158 Y166 D191 H193	W147-L170 HydrophobicContact CB-CD2 4.35Å; W147-L170 HydrophobicContact CG-CD2 4.49Å; H148-L170 WeakPolarHBondContact CA-O 3.4Å; H148-L170 PolarHBondContact N-O 3.49Å; H148-L170 VanDerWaalsContact N-O 3.08Å; F151-L170 HydrophobicContact CB-CB 4.04Å; F151-L170 HydrophobicContact CB-CD1 3.95Å; F151-L170 HydrophobicContact CB-CD2 4.38Å; F151-L170 HydrophobicContact CB-CG 4.35Å; F151-L170 HydrophobicContact CD1-CB 3.66Å; F151-L170 HydrophobicContact CE1-CB 4.27Å; F151-L170 HydrophobicContact CG-CB 3.85Å; F151-L170 HydrophobicContact CG-CD1 4.22Å; L157-L170 HydrophobicContact CD2-CD1 3.75Å; L157-L170 HydrophobicContact CD2-CD2 3.83Å; L157-L170 HydrophobicContact CD2-CG 4.48Å; P158-L170 HydrophobicContact CG-CD2 4.45Å; Y166-L170 HydrophobicContact CE1-CD2 3.82Å; L170-D191 PolarHBondContact N-OD1 3.06Å; L170-D191 PolarHBondContact N-OD2 3.12Å; L170-H193 WeakPolarHBondContact CD1-NE2 3.29Å
171	T	97.9	Very high	98	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.006	11%	0.112	C	C	.	.	S	Bend	trans	-82.2	-178.5	-178	75.5	0	0	0	0	113.5	P117 F151 S173 S181 D191 W520	P117-T171 HydrophobicContact CB-CG2 4.13Å; P117-T171 HydrophobicContact CG-CG2 4.09Å; F151-T171 HydrophobicContact CE1-CG2 3.81Å; F151-T171 HydrophobicContact CZ-CG2 3.83Å; T171-S173 PolarHBondContact OG1-O 3.43Å; T171-S181 WeakPolarHBondContact OG1-CB 3.36Å; T171-S181 PolarHBondContact OG1-OG 2.98Å; T171-D191 WeakPolarHBondContact CA-OD2 3.41Å; T171-D191 WeakPolarHBondContact CB-OD2 3.4Å; T171-D191 HydrophobicContact CG2-CB 4.32Å; T171-D191 VanDerWaalsContact CG2-OD2 3.29Å; T171-D191 WeakPolarHBondContact CG2-OD2 3.38Å; T171-D191 PolarHBondContact N-OD2 3.2Å; T171-D191 PolarHBondContact OG1-OD2 3.25Å; T171-W520 HydrophobicContact CG2-CB 3.98Å; T171-W520 HydrophobicContact CG2-CD2 4.15Å; T171-W520 HydrophobicContact CG2-CG 3.76Å
172	G	95.4	Very high	97.8	Very high	11 Å²	11	23.1 Å²	23.1	11%	0.113	13%	0.13	C	C	.	.	S	Bend	trans	-79.7	-18.2	-176.9	0	0	0	0	0	116.7	K146 H148	K146-G172 WeakPolarHBondContact CE-O 3.49Å; K146-G172 PolarHBondContact NZ-O 3.42Å; H148-G172 WeakPolarHBondContact CD2-CA 3.11Å; H148-G172 VanDerWaalsContact CE1-CA 3.45Å; H148-G172 WeakPolarHBondContact CE1-CA 2.92Å; H148-G172 VanDerWaalsContact NE2-CA 3.31Å; H148-G172 WeakPolarHBondContact NE2-CA 3.49Å
173	S	94.9	Very high	97.4	Very high	42 Å²	42	24.3 Å²	24.3	29%	0.294	14%	0.135	S	C	.	.			trans	-171.1	148.1	-179.2	55.3	0	0	0	0	110.8	T171 S181	T171-S173 PolarHBondContact OG1-O 3.43Å; S173-S181 WeakPolarHBondContact O-CB 3.29Å; S173-S181 PolarHBondContact O-OG 2.79Å
174	M	96.4	Very high	96.8	Very high	5 Å²	5	26.4 Å²	26.4	3%	0.025	16%	0.157	C	C	.	.			trans	-147.9	171.6	178.6	61.8	168.3	178.7	0	0	112	Y179 E180 L192 Y211 Q236 P241	M174-Y179 HydrophobicContact CE-CD1 3.83Å; M174-Y179 HydrophobicContact CE-CE1 4.48Å; M174-Y179 HydrophobicContact SD-CD1 3.75Å; M174-Y179 HydrophobicContact SD-CG 4.11Å; M174-E180 CarbonylContact C-O 3.55Å; M174-E180 WeakPolarHBondContact CA-O 3.24Å; M174-L192 HydrophobicContact CE-CD1 4.39Å; M174-Y211 WeakPolarHBondContact CE-OH 3.45Å; M174-Q236 VanDerWaalsContact CE-OE1 3.29Å; M174-Q236 PolarHBondContact O-NE2 3.21Å; M174-P241 WeakPolarHBondContact O-CD 3.43Å
175	N	97.9	Very high	95.9	Very high	36 Å²	36	29 Å²	29	19%	0.193	18%	0.179	C	C	.	.			trans	-68	133.7	167.2	-175.7	-58.8	0	0	0	110.8	Y177 T178 Y179 E180 Q243	N175-Y177 PolarHBondContact O-N 2.95Å; N175-Y177 VanDerWaalsContact O-N 3.15Å; N175-Y177 PolarHBondContact OD1-N 2.99Å; N175-T178 WeakPolarHBondContact CB-OG1 3.19Å; N175-T178 PolarHBondContact ND2-OG1 3.28Å; N175-T178 PolarHBondContact OD1-N 2.77Å; N175-T178 PolarHBondContact OD1-OG1 2.92Å; N175-Y179 VanDerWaalsContact O-CA 3.27Å; N175-Y179 WeakPolarHBondContact O-CA 3.4Å; N175-Y179 PolarHBondContact O-N 3.13Å; N175-E180 HydrophobicContact CB-CB 4.39Å; N175-E180 PolarHBondContact N-O 2.78Å; N175-Q243 PolarHBondContact ND2-NE2 3.12Å; N175-Q243 VanDerWaalsContact ND2-NE2 3.11Å; N175-Q243 PolarHBondContact OD1-OE1 2.65Å
176	Y	98.5	Very high	94.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.3	-175.2	-80.8	-101.9	0	0	0	114.8	Y179 Y206 S207 Q236 A237 H239 P241 Q243 M266	Y176-Y179 WeakPolarHBondContact O-CE1 3.29Å; Y176-Y206 HydrophobicContact CD1-CD2 4.17Å; Y176-Y206 AromaticContact CD1-CE2 3.38Å; Y176-Y206 HydrophobicContact CD1-CE2 3.38Å; Y176-Y206 AromaticContact CD1-CZ 3.62Å; Y176-Y206 HydrophobicContact CE1-CE2 4.33Å; Y176-Y206 HydrophobicContact CG-CD2 4.37Å; Y176-Y206 AromaticContact CG-CE2 3.7Å; Y176-Y206 HydrophobicContact CG-CE2 3.7Å; Y176-Y206 CarbonylContact O-C 3.59Å; Y176-Y206 WeakPolarHBondContact O-CA 3.43Å; Y176-S207 WeakPolarHBondContact CD1-OG 3.27Å; Y176-S207 PolarHBondContact O-N 3.05Å; Y176-Q236 HydrophobicContact CE1-CB 4.48Å; Y176-Q236 HydrophobicContact CE1-CG 4.45Å; Y176-Q236 PolarHBondContact OH-O 2.86Å; Y176-A237 HydrophobicContact CE1-CB 4.4Å; Y176-A237 WeakPolarHBondContact OH-CA 3.32Å; Y176-H239 WeakPolarHBondContact CE2-O 3.47Å; Y176-H239 PolarHBondContact OH-N 3.45Å; Y176-H239 PolarHBondContact OH-O 3.03Å; Y176-P241 HydrophobicContact CD2-CG 4.37Å; Y176-P241 WeakPolarHBondContact CD2-O 3.29Å; Y176-P241 WeakPolarHBondContact CE2-O 3.32Å; Y176-Q243 HydrophobicContact CD2-CB 3.97Å; Y176-Q243 HydrophobicContact CG-CB 4.23Å; Y176-M266 HydrophobicContact CD2-CE 4.49Å; Y176-M266 HydrophobicContact CE1-CE 3.98Å; Y176-M266 HydrophobicContact CE2-CE 3.64Å; Y176-M266 WeakPolarHBondContact OH-CE 3.38Å
177	Y	98.4	Very high	94.6	Very high	67 Å²	67	32.9 Å²	32.9	26%	0.263	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-42.6	-178.3	-63	-89.6	0	0	0	113	N175 G204 Y206 Q243 C244 P245	N175-Y177 PolarHBondContact O-N 2.95Å; N175-Y177 VanDerWaalsContact O-N 3.15Å; N175-Y177 PolarHBondContact OD1-N 2.99Å; Y177-G204 PolarHBondContact O-N 2.78Å; Y177-Y206 HydrophobicContact CD1-CD2 4.42Å; Y177-Y206 HydrophobicContact CD2-CD2 4.35Å; Y177-Y206 AromaticContact CE1-CD2 3.89Å; Y177-Y206 HydrophobicContact CE1-CD2 3.89Å; Y177-Y206 HydrophobicContact CE1-CG 4.27Å; Y177-Y206 AromaticContact CE2-CD2 3.81Å; Y177-Y206 HydrophobicContact CE2-CD2 3.81Å; Y177-Y206 HydrophobicContact CE2-CE2 4.31Å; Y177-Y206 AromaticContact CZ-CD2 3.57Å; Y177-Q243 HydrophobicContact CE2-CB 4.31Å; Y177-C244 PolarHBondContact OH-O 2.63Å; Y177-P245 WeakPolarHBondContact OH-CA 3.35Å; Y177-P245 WeakPolarHBondContact OH-CG 3.28Å; Y177-P245 VanDerWaalsContact OH-N 3.1Å
178	T	98.1	Very high	94.5	Very high	39 Å²	39	34.7 Å²	34.7	24%	0.239	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-17.3	-179.3	67	0	0	0	0	113	N175 E180 F190	N175-T178 WeakPolarHBondContact CB-OG1 3.19Å; N175-T178 PolarHBondContact ND2-OG1 3.28Å; N175-T178 PolarHBondContact OD1-N 2.77Å; N175-T178 PolarHBondContact OD1-OG1 2.92Å; T178-E180 PolarHBondContact O-N 3.29Å; T178-E180 WeakPolarHBondContact OG1-CB 3.25Å; T178-E180 PolarHBondContact OG1-N 2.81Å; T178-F190 VanDerWaalsContact O-CD2 3.25Å; T178-F190 WeakPolarHBondContact O-CD2 3.11Å; T178-F190 VanDerWaalsContact O-CE2 3.23Å; T178-F190 WeakPolarHBondContact O-CE2 3.45Å
179	Y	98.2	Very high	94.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	22%	0.221	C	C	.	.			trans	55.6	23	-172.1	-40.2	-51.2	0	0	0	114.3	M174 N175 Y176 F190 D191 L192 H202 K205	M174-Y179 HydrophobicContact CE-CD1 3.83Å; M174-Y179 HydrophobicContact CE-CE1 4.48Å; M174-Y179 HydrophobicContact SD-CD1 3.75Å; M174-Y179 HydrophobicContact SD-CG 4.11Å; N175-Y179 VanDerWaalsContact O-CA 3.27Å; N175-Y179 WeakPolarHBondContact O-CA 3.4Å; N175-Y179 PolarHBondContact O-N 3.13Å; Y176-Y179 WeakPolarHBondContact O-CE1 3.29Å; Y179-F190 AromaticContact CD2-CE2 3.69Å; Y179-F190 HydrophobicContact CD2-CE2 3.69Å; Y179-F190 AromaticContact CD2-CZ 3.68Å; Y179-F190 HydrophobicContact CD2-CZ 3.68Å; Y179-F190 HydrophobicContact CG-CE2 4.29Å; Y179-F190 HydrophobicContact CG-CZ 4.47Å; Y179-D191 PolarHBondContact O-N 3.17Å; Y179-L192 HydrophobicContact CD2-CB 3.8Å; Y179-L192 HydrophobicContact CD2-CD2 3.59Å; Y179-L192 HydrophobicContact CD2-CG 4.22Å; Y179-L192 HydrophobicContact CE2-CD2 3.44Å; Y179-L192 VanDerWaalsContact CE2-CD2 3.44Å; Y179-L192 HydrophobicContact CE2-CG 4.48Å; Y179-L192 HydrophobicContact CG-CB 3.9Å; Y179-L192 HydrophobicContact CG-CD2 4.21Å; Y179-L192 HydrophobicContact CG-CG 4.46Å; Y179-H202 HydrophobicContact CE2-CB 3.8Å; Y179-H202 WeakPolarHBondContact CE2-O 3.43Å; Y179-H202 PolarHBondContact OH-O 3.01Å; Y179-K205 PolarHBondContact OH-O 2.79Å
180	E	97.4	Very high	94.4	Very high	90 Å²	90	35.1 Å²	35.1	42%	0.421	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	124.6	171.3	-173.2	166.5	-140.6	0	0	109.7	M174 N175 T178 C188 G189	M174-E180 CarbonylContact C-O 3.55Å; M174-E180 WeakPolarHBondContact CA-O 3.24Å; N175-E180 HydrophobicContact CB-CB 4.39Å; N175-E180 PolarHBondContact N-O 2.78Å; T178-E180 PolarHBondContact O-N 3.29Å; T178-E180 WeakPolarHBondContact OG1-CB 3.25Å; T178-E180 PolarHBondContact OG1-N 2.81Å; E180-C188 HydrophobicContact CG-CB 3.94Å; E180-G189 WeakPolarHBondContact CA-O 3.09Å
181	S	97.1	Very high	94.4	Very high	4 Å²	4	35 Å²	35	3%	0.028	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.8	174	177.3	0	0	0	0	108.4	T171 S173 C188 G189 W520	T171-S181 WeakPolarHBondContact OG1-CB 3.36Å; T171-S181 PolarHBondContact OG1-OG 2.98Å; S173-S181 WeakPolarHBondContact O-CB 3.29Å; S173-S181 PolarHBondContact O-OG 2.79Å; S181-C188 WeakPolarHBondContact O-CA 3.39Å; S181-G189 PolarHBondContact N-O 3.14Å; S181-G189 PolarHBondContact O-N 3.16Å; S181-W520 PolarHBondContact O-NE1 2.72Å
182	C	94.6	Very high	94.4	Very high	60 Å²	60	35 Å²	35	41%	0.405	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.1	-176	-56	0	0	0	0	111.2	L187 C188	C182-L187 CarbonylContact C-O 3.51Å; C182-L187 WeakPolarHBondContact CA-O 3.14Å; C182-C188 HydrophobicContact CB-CB 4.1Å; C182-C188 WeakPolarHBondContact CB-SG 3.36Å; C182-C188 WeakPolarHBondContact SG-CB 3.44Å; C182-C188 CovalentContact SG-SG 2.04Å; C182-C188 PolarHBondContact SG-SG 2.85Å
183	D	90.1	Very high	94.6	Very high	30 Å²	30	34.8 Å²	34.8	16%	0.16	22%	0.217	C	C	.	.	S	Bend	trans	-101.9	88.1	171.5	-175.1	38.4	0	0	0	109.2	P117 R118 L187 W520	P117-D183 HydrophobicContact CB-CB 4.48Å; P117-D183 HydrophobicContact CG-CB 4.22Å; R118-D183 IonicContact CZ-OD2 3.42Å; R118-D183 IonicContact NE-OD2 3.8Å; R118-D183 PolarHBondContact NE-OD2 2.93Å; R118-D183 IonicContact NH2-OD2 2.82Å; R118-D183 PolarHBondContact NH2-OD2 2.98Å; D183-L187 HydrophobicContact CB-CD2 4.5Å; D183-L187 PolarHBondContact N-O 2.93Å; D183-W520 HydrophobicContact CB-CH2 4.11Å; D183-W520 HydrophobicContact CB-CZ2 4.15Å
184	G	85.8	Confident	94.7	Very high	45 Å²	45	35.7 Å²	35.7	46%	0.464	22%	0.216	S	C	.	.	S	Bend	trans	84.8	-169.2	-169.1	0	0	0	0	0	113.3
185	P	80.2	Confident	94.8	Very high	134 Å²	134	36.7 Å²	36.7	87%	0.87	23%	0.228	S	C	*	.	S	Bend	trans	-82	-17.3	-168.4	32	-36.3	0	0	0	114.9
186	S	78.7	Confident	94.8	Very high	102 Å²	102	38.3 Å²	38.3	71%	0.713	24%	0.235	S	C	*	.	S	Bend	trans	-121.9	-12.2	-168.7	55.6	0	0	0	0	114.8
187	L	92.3	Very high	94.8	Very high	19 Å²	19	44.8 Å²	44.8	10%	0.099	27%	0.268	C	S	.	.			trans	-113.8	98	-176	-173.8	68.4	0	0	0	110.1	R118 C182 D183 D512 W520	R118-L187 HydrophobicContact CG-CD2 3.98Å; C182-L187 CarbonylContact C-O 3.51Å; C182-L187 WeakPolarHBondContact CA-O 3.14Å; D183-L187 HydrophobicContact CB-CD2 4.5Å; D183-L187 PolarHBondContact N-O 2.93Å; L187-D512 HydrophobicContact CD1-CB 4.18Å; L187-D512 VanDerWaalsContact CD1-OD1 3.27Å; L187-D512 WeakPolarHBondContact CD1-OD1 3.46Å; L187-D512 WeakPolarHBondContact CD1-OD2 3.3Å; L187-W520 HydrophobicContact CD2-CH2 3.79Å; L187-W520 HydrophobicContact CD2-CZ2 4.43Å; L187-W520 HydrophobicContact CG-CH2 4.12Å; L187-W520 HydrophobicContact CG-CZ2 4.32Å
188	C	95.6	Very high	94.8	Very high	42 Å²	42	43.9 Å²	43.9	28%	0.284	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	145.6	-179.5	-61.3	0	0	0	0	110.8	E180 S181 C182	E180-C188 HydrophobicContact CG-CB 3.94Å; S181-C188 WeakPolarHBondContact O-CA 3.39Å; C182-C188 HydrophobicContact CB-CB 4.1Å; C182-C188 WeakPolarHBondContact CB-SG 3.36Å; C182-C188 WeakPolarHBondContact SG-CB 3.44Å; C182-C188 CovalentContact SG-SG 2.04Å; C182-C188 PolarHBondContact SG-SG 2.85Å
189	G	97.3	Very high	94.8	Very high	4 Å²	4	42.2 Å²	42.2	4%	0.041	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	156.9	176.6	0	0	0	0	0	110.9	E180 S181	E180-G189 WeakPolarHBondContact CA-O 3.09Å; S181-G189 PolarHBondContact N-O 3.14Å; S181-G189 PolarHBondContact O-N 3.16Å
190	F	98.3	Very high	94.8	Very high	5 Å²	5	47.7 Å²	47.7	2%	0.022	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	135.1	173.6	-173.9	-92.7	0	0	0	110.8	T178 Y179 L192 V198 W200 R203 G518 A519 W520	T178-F190 VanDerWaalsContact O-CD2 3.25Å; T178-F190 WeakPolarHBondContact O-CD2 3.11Å; T178-F190 VanDerWaalsContact O-CE2 3.23Å; T178-F190 WeakPolarHBondContact O-CE2 3.45Å; Y179-F190 AromaticContact CD2-CE2 3.69Å; Y179-F190 HydrophobicContact CD2-CE2 3.69Å; Y179-F190 AromaticContact CD2-CZ 3.68Å; Y179-F190 HydrophobicContact CD2-CZ 3.68Å; Y179-F190 HydrophobicContact CG-CE2 4.29Å; Y179-F190 HydrophobicContact CG-CZ 4.47Å; F190-L192 HydrophobicContact CE1-CB 3.81Å; F190-L192 WeakPolarHBondContact CE1-O 3.18Å; F190-L192 HydrophobicContact CZ-CB 4.01Å; F190-V198 HydrophobicContact CD1-CG1 3.37Å; F190-V198 HydrophobicContact CE1-CG1 3.63Å; F190-W200 HydrophobicContact CB-CE3 4.15Å; F190-W200 HydrophobicContact CB-CH2 3.59Å; F190-W200 HydrophobicContact CB-CZ3 3.33Å; F190-W200 HydrophobicContact CD1-CD2 4.22Å; F190-W200 AromaticContact CD1-CE3 3.77Å; F190-W200 HydrophobicContact CD1-CE3 3.77Å; F190-W200 HydrophobicContact CD1-CH2 4.25Å; F190-W200 AromaticContact CD1-CZ3 3.81Å; F190-W200 HydrophobicContact CD1-CZ3 3.81Å; F190-W200 AromaticContact CD2-CE3 3.88Å; F190-W200 HydrophobicContact CD2-CE3 3.88Å; F190-W200 AromaticContact CD2-CZ3 3.79Å; F190-W200 HydrophobicContact CD2-CZ3 3.79Å; F190-W200 HydrophobicContact CE1-CD2 4.27Å; F190-W200 HydrophobicContact CE1-CE3 4Å; F190-W200 HydrophobicContact CE1-CZ3 4.49Å; F190-W200 HydrophobicContact CE2-CE3 4.09Å; F190-W200 HydrophobicContact CE2-CZ3 4.46Å; F190-W200 AromaticContact CG-CE3 3.68Å; F190-W200 HydrophobicContact CG-CE3 3.68Å; F190-W200 HydrophobicContact CG-CH2 4.02Å; F190-W200 AromaticContact CG-CZ3 3.38Å; F190-W200 HydrophobicContact CG-CZ3 3.38Å; F190-W200 HydrophobicContact CZ-CE3 4.14Å; F190-R203 HydrophobicContact CE2-CB 4.48Å; F190-G518 PolarHBondContact N-O 2.88Å; F190-A519 HydrophobicContact CB-CB 4.43Å; F190-A519 CarbonylContact O-C 3.56Å; F190-A519 VanDerWaalsContact O-CA 3.23Å; F190-A519 WeakPolarHBondContact O-CA 3.45Å; F190-A519 WeakPolarHBondContact O-CB 3.19Å; F190-W520 PolarHBondContact O-N 2.94Å
191	D	98.4	Very high	94.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.291	C	S	.	.			trans	-134.6	69.4	-176.6	-178.6	24.8	0	0	0	111.2	S169 L170 T171 Y179 H193 W520	S169-D191 WeakPolarHBondContact CA-OD1 3.45Å; S169-D191 VanDerWaalsContact CB-O 3.3Å; S169-D191 WeakPolarHBondContact CB-O 3.31Å; S169-D191 WeakPolarHBondContact CB-OD2 3.37Å; L170-D191 PolarHBondContact N-OD1 3.06Å; L170-D191 PolarHBondContact N-OD2 3.12Å; T171-D191 WeakPolarHBondContact CA-OD2 3.41Å; T171-D191 WeakPolarHBondContact CB-OD2 3.4Å; T171-D191 HydrophobicContact CG2-CB 4.32Å; T171-D191 VanDerWaalsContact CG2-OD2 3.29Å; T171-D191 WeakPolarHBondContact CG2-OD2 3.38Å; T171-D191 PolarHBondContact N-OD2 3.2Å; T171-D191 PolarHBondContact OG1-OD2 3.25Å; Y179-D191 PolarHBondContact O-N 3.17Å; D191-H193 IonicContact OD1-CD2 2.75Å; D191-H193 IonicContact OD1-NE2 3.78Å; D191-W520 HydrophobicContact CB-CB 4.45Å
192	L	98.7	Very high	94.8	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.293	C	S	.	.			trans	-142.6	129.9	164.3	-170.7	79.9	0	0	0	109.6	G168 M174 Y179 F190 A199 H202 L210 Y211	G168-L192 WeakPolarHBondContact O-CA 3.49Å; M174-L192 HydrophobicContact CE-CD1 4.39Å; Y179-L192 HydrophobicContact CD2-CB 3.8Å; Y179-L192 HydrophobicContact CD2-CD2 3.59Å; Y179-L192 HydrophobicContact CD2-CG 4.22Å; Y179-L192 HydrophobicContact CE2-CD2 3.44Å; Y179-L192 VanDerWaalsContact CE2-CD2 3.44Å; Y179-L192 HydrophobicContact CE2-CG 4.48Å; Y179-L192 HydrophobicContact CG-CB 3.9Å; Y179-L192 HydrophobicContact CG-CD2 4.21Å; Y179-L192 HydrophobicContact CG-CG 4.46Å; F190-L192 HydrophobicContact CE1-CB 3.81Å; F190-L192 WeakPolarHBondContact CE1-O 3.18Å; F190-L192 HydrophobicContact CZ-CB 4.01Å; L192-A199 HydrophobicContact CD2-CB 4Å; L192-A199 HydrophobicContact CG-CB 4.12Å; L192-A199 PolarHBondContact O-N 3.36Å; L192-H202 HydrophobicContact CD2-CB 3.66Å; L192-L210 HydrophobicContact CD2-CD2 3.81Å; L192-Y211 HydrophobicContact CD1-CE1 4.06Å
193	H	98.8	Very high	94.9	Very high	7 Å²	7	55.5 Å²	55.5	3%	0.032	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	147.9	-175.2	-58.8	-100.8	0	0	0	111.1	Y166 L167 G168 L170 D191 L197 W520	Y166-H193 HydrophobicContact CD1-CB 4.36Å; Y166-H193 HydrophobicContact CE1-CB 3.98Å; L167-H193 CarbonylContact C-O 3.59Å; L167-H193 VanDerWaalsContact CA-O 3.26Å; L167-H193 WeakPolarHBondContact CA-O 3.16Å; G168-H193 PolarHBondContact N-O 3.3Å; G168-H193 PolarHBondContact O-N 2.91Å; L170-H193 WeakPolarHBondContact CD1-NE2 3.29Å; D191-H193 IonicContact OD1-CD2 2.75Å; D191-H193 IonicContact OD1-NE2 3.78Å; H193-L197 CarbonylContact C-O 3.48Å; H193-L197 WeakPolarHBondContact CA-O 3.3Å; H193-W520 PolarHBondContact CE1-O 2.98Å; H193-W520 PolarHBondContact NE2-O 3.17Å; H193-W520 VanDerWaalsContact NE2-O 3.09Å
194	E	98.6	Very high	95.3	Very high	60 Å²	60	56.6 Å²	56.6	28%	0.28	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	112.1	171.6	-172.2	171.1	-160.6	0	0	107.6	L167 E196 L197 A199 R201 H202	L167-E194 HydrophobicContact CD1-CB 3.82Å; L167-E194 HydrophobicContact CD1-CG 4.03Å; E194-E196 PolarHBondContact O-N 2.96Å; E194-L197 PolarHBondContact N-O 2.76Å; E194-L197 PolarHBondContact O-N 3.39Å; E194-A199 HydrophobicContact CB-CB 4.04Å; E194-R201 IonicContact OE1-NH2 2.88Å; E194-R201 PolarHBondContact OE1-NH2 3.12Å; E194-R201 IonicContact OE2-CZ 3.71Å; E194-R201 VanDerWaalsContact OE2-CZ 3.22Å; E194-R201 IonicContact OE2-NE 3.74Å; E194-R201 PolarHBondContact OE2-NE 2.8Å; E194-R201 IonicContact OE2-NH2 2.7Å; E194-R201 PolarHBondContact OE2-NH2 3.25Å; E194-H202 IonicContact OE2-NE2 3.14Å
195	G	98.3	Very high	95.9	Very high	27 Å²	27	59.1 Å²	59.1	28%	0.278	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	-126.3	-157.9	0	0	0	0	0	110.4	Y166	Y166-G195 PolarHBondContact O-N 3.09Å
196	E	97.8	Very high	96.7	Very high	70 Å²	70	53.1 Å²	53.1	33%	0.327	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-0.1	178	-56.3	-172.6	164.2	0	0	112.6	L157 T159 R160 E194	L157-E196 HydrophobicContact CD1-CB 4.26Å; L157-E196 HydrophobicContact CD1-CG 3.98Å; T159-E196 WeakPolarHBondContact CB-OE1 3.28Å; T159-E196 HydrophobicContact CG2-CG 4.09Å; T159-E196 VanDerWaalsContact OG1-CG 3.31Å; T159-E196 WeakPolarHBondContact OG1-CG 3.46Å; T159-E196 PolarHBondContact OG1-OE1 3.32Å; R160-E196 IonicContact CZ-OE1 3.73Å; R160-E196 IonicContact CZ-OE2 2.71Å; R160-E196 IonicContact NE-OE1 2.93Å; R160-E196 PolarHBondContact NE-OE1 3.22Å; R160-E196 IonicContact NE-OE2 3.06Å; R160-E196 IonicContact NH2-OE1 2.67Å; R160-E196 PolarHBondContact NH2-OE1 3.39Å; R160-E196 IonicContact NH2-OE2 3.22Å; R160-E196 PolarHBondContact NH2-OE2 3.24Å; E194-E196 PolarHBondContact O-N 2.96Å
197	L	97.9	Very high	97.7	Very high	135 Å²	135	48.3 Å²	48.3	71%	0.707	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	147.2	-175.3	-60.4	178.9	0	0	0	112.2	H193 E194 A199	H193-L197 CarbonylContact C-O 3.48Å; H193-L197 WeakPolarHBondContact CA-O 3.3Å; E194-L197 PolarHBondContact N-O 2.76Å; E194-L197 PolarHBondContact O-N 3.39Å; L197-A199 PolarHBondContact O-N 2.98Å
198	V	98.4	Very high	98	Very high	48 Å²	48	47.4 Å²	47.4	29%	0.291	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	123.7	177.5	-171.1	0	0	0	0	111	F190 W200 A519	F190-V198 HydrophobicContact CD1-CG1 3.37Å; F190-V198 HydrophobicContact CE1-CG1 3.63Å; V198-W200 HydrophobicContact CB-CZ2 4.48Å; V198-W200 HydrophobicContact CG1-CD2 3.87Å; V198-W200 VanDerWaalsContact CG1-CE2 3.42Å; V198-W200 HydrophobicContact CG1-CG 4.21Å; V198-W200 HydrophobicContact CG1-CH2 4.42Å; V198-W200 HydrophobicContact CG1-CZ2 3.74Å; V198-W200 PolarHBondContact O-N 2.86Å; V198-A519 HydrophobicContact CG1-CB 3.9Å; V198-A519 HydrophobicContact CG2-CB 3.8Å
199	A	98.1	Very high	98.1	Very high	5 Å²	5	48.7 Å²	48.7	4%	0.041	24%	0.238	C	C	.	.			trans	-92.8	48	-168.3	0	0	0	0	0	114	L192 E194 L197 R201 H202	L192-A199 HydrophobicContact CD2-CB 4Å; L192-A199 HydrophobicContact CG-CB 4.12Å; L192-A199 PolarHBondContact O-N 3.36Å; E194-A199 HydrophobicContact CB-CB 4.04Å; L197-A199 PolarHBondContact O-N 2.98Å; A199-R201 PolarHBondContact O-N 3.37Å; A199-H202 PolarHBondContact O-N 3.32Å; A199-H202 VanDerWaalsContact O-N 3.08Å
200	W	97.8	Very high	98.2	Very high	114 Å²	114	48.9 Å²	48.9	43%	0.432	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-44.7	-38.7	-178.5	-58.8	108	0	0	0	114.4	F190 V198 H202 R203 A519	F190-W200 HydrophobicContact CB-CE3 4.15Å; F190-W200 HydrophobicContact CB-CH2 3.59Å; F190-W200 HydrophobicContact CB-CZ3 3.33Å; F190-W200 HydrophobicContact CD1-CD2 4.22Å; F190-W200 AromaticContact CD1-CE3 3.77Å; F190-W200 HydrophobicContact CD1-CE3 3.77Å; F190-W200 HydrophobicContact CD1-CH2 4.25Å; F190-W200 AromaticContact CD1-CZ3 3.81Å; F190-W200 HydrophobicContact CD1-CZ3 3.81Å; F190-W200 AromaticContact CD2-CE3 3.88Å; F190-W200 HydrophobicContact CD2-CE3 3.88Å; F190-W200 AromaticContact CD2-CZ3 3.79Å; F190-W200 HydrophobicContact CD2-CZ3 3.79Å; F190-W200 HydrophobicContact CE1-CD2 4.27Å; F190-W200 HydrophobicContact CE1-CE3 4Å; F190-W200 HydrophobicContact CE1-CZ3 4.49Å; F190-W200 HydrophobicContact CE2-CE3 4.09Å; F190-W200 HydrophobicContact CE2-CZ3 4.46Å; F190-W200 AromaticContact CG-CE3 3.68Å; F190-W200 HydrophobicContact CG-CE3 3.68Å; F190-W200 HydrophobicContact CG-CH2 4.02Å; F190-W200 AromaticContact CG-CZ3 3.38Å; F190-W200 HydrophobicContact CG-CZ3 3.38Å; F190-W200 HydrophobicContact CZ-CE3 4.14Å; V198-W200 HydrophobicContact CB-CZ2 4.48Å; V198-W200 HydrophobicContact CG1-CD2 3.87Å; V198-W200 VanDerWaalsContact CG1-CE2 3.42Å; V198-W200 HydrophobicContact CG1-CG 4.21Å; V198-W200 HydrophobicContact CG1-CH2 4.42Å; V198-W200 HydrophobicContact CG1-CZ2 3.74Å; V198-W200 PolarHBondContact O-N 2.86Å; W200-H202 PolarHBondContact O-N 2.83Å; W200-R203 WeakPolarHBondContact O-CB 3.42Å; W200-R203 PolarHBondContact O-N 3.18Å; W200-R203 VanDerWaalsContact O-N 3.11Å; W200-A519 HydrophobicContact CH2-CB 4.22Å; W200-A519 HydrophobicContact CZ2-CB 4.06Å
201	R	97.5	Very high	98.2	Very high	170 Å²	170	48.7 Å²	48.7	64%	0.642	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-57.4	-7.8	-179.7	72.3	-178.5	-165.4	139.3	-1.3	116.1	E194 A199	E194-R201 IonicContact OE1-NH2 2.88Å; E194-R201 PolarHBondContact OE1-NH2 3.12Å; E194-R201 IonicContact OE2-CZ 3.71Å; E194-R201 VanDerWaalsContact OE2-CZ 3.22Å; E194-R201 IonicContact OE2-NE 3.74Å; E194-R201 PolarHBondContact OE2-NE 2.8Å; E194-R201 IonicContact OE2-NH2 2.7Å; E194-R201 PolarHBondContact OE2-NH2 3.25Å; A199-R201 PolarHBondContact O-N 3.37Å
202	H	97.8	Very high	98.3	Very high	14 Å²	14	49 Å²	49	7%	0.065	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-100.5	-10.7	179.9	-69.3	-22	0	0	0	114	Y179 L192 E194 A199 W200 G204 K205 L210	Y179-H202 HydrophobicContact CE2-CB 3.8Å; Y179-H202 WeakPolarHBondContact CE2-O 3.43Å; Y179-H202 PolarHBondContact OH-O 3.01Å; L192-H202 HydrophobicContact CD2-CB 3.66Å; E194-H202 IonicContact OE2-NE2 3.14Å; A199-H202 PolarHBondContact O-N 3.32Å; A199-H202 VanDerWaalsContact O-N 3.08Å; W200-H202 PolarHBondContact O-N 2.83Å; H202-G204 PolarHBondContact O-N 3.12Å; H202-K205 WeakPolarHBondContact O-CB 3.25Å; H202-K205 WeakPolarHBondContact O-CG 3.24Å; H202-K205 PolarHBondContact O-N 3.48Å; H202-K205 VanDerWaalsContact O-N 3.14Å; H202-L210 HydrophobicContact CB-CD2 3.89Å
203	R	97.4	Very high	98.3	Very high	135 Å²	135	53.4 Å²	53.4	51%	0.509	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48	136.4	-179.8	-177.3	177.8	-75.1	-120.7	1.8	111.5	F190 W200	F190-R203 HydrophobicContact CE2-CB 4.48Å; W200-R203 WeakPolarHBondContact O-CB 3.42Å; W200-R203 PolarHBondContact O-N 3.18Å; W200-R203 VanDerWaalsContact O-N 3.11Å
204	G	97.4	Very high	98.3	Very high	53 Å²	53	55.8 Å²	55.8	55%	0.546	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.5	-7.3	-176.9	0	0	0	0	0	114.9	Y177 H202	Y177-G204 PolarHBondContact O-N 2.78Å; H202-G204 PolarHBondContact O-N 3.12Å
205	K	98.1	Very high	98.3	Very high	98 Å²	98	52.9 Å²	52.9	43%	0.426	26%	0.255	S	S	.	.	S	Bend	trans	-92.5	136.6	176.3	-59.6	176.4	-172.6	-174.9	0	110.4	Y179 H202 S207	Y179-K205 PolarHBondContact OH-O 2.79Å; H202-K205 WeakPolarHBondContact O-CB 3.25Å; H202-K205 WeakPolarHBondContact O-CG 3.24Å; H202-K205 PolarHBondContact O-N 3.48Å; H202-K205 VanDerWaalsContact O-N 3.14Å; K205-S207 PolarHBondContact O-N 2.74Å
206	Y	98.6	Very high	98.3	Very high	8 Å²	8	56.3 Å²	56.3	3%	0.031	26%	0.259	C	S	.	.			trans	-65.2	124.2	175.4	-171.2	-116.9	0	0	0	110.9	Y176 Y177 T208 H209 L210 Q243 P245 I269	Y176-Y206 HydrophobicContact CD1-CD2 4.17Å; Y176-Y206 AromaticContact CD1-CE2 3.38Å; Y176-Y206 HydrophobicContact CD1-CE2 3.38Å; Y176-Y206 AromaticContact CD1-CZ 3.62Å; Y176-Y206 HydrophobicContact CE1-CE2 4.33Å; Y176-Y206 HydrophobicContact CG-CD2 4.37Å; Y176-Y206 AromaticContact CG-CE2 3.7Å; Y176-Y206 HydrophobicContact CG-CE2 3.7Å; Y176-Y206 CarbonylContact O-C 3.59Å; Y176-Y206 WeakPolarHBondContact O-CA 3.43Å; Y177-Y206 HydrophobicContact CD1-CD2 4.42Å; Y177-Y206 HydrophobicContact CD2-CD2 4.35Å; Y177-Y206 AromaticContact CE1-CD2 3.89Å; Y177-Y206 HydrophobicContact CE1-CD2 3.89Å; Y177-Y206 HydrophobicContact CE1-CG 4.27Å; Y177-Y206 AromaticContact CE2-CD2 3.81Å; Y177-Y206 HydrophobicContact CE2-CD2 3.81Å; Y177-Y206 HydrophobicContact CE2-CE2 4.31Å; Y177-Y206 AromaticContact CZ-CD2 3.57Å; Y206-T208 VanDerWaalsContact C-N 3.34Å; Y206-T208 VanDerWaalsContact CE1-OG1 3.31Å; Y206-T208 WeakPolarHBondContact CE1-OG1 3.41Å; Y206-T208 PolarHBondContact O-N 2.89Å; Y206-H209 AromaticContact CD1-CG 3.98Å; Y206-H209 WeakPolarHBondContact O-CB 3.5Å; Y206-H209 PolarHBondContact O-N 3.34Å; Y206-L210 PolarHBondContact O-N 3.24Å; Y206-Q243 VanDerWaalsContact CE2-O 3.27Å; Y206-Q243 WeakPolarHBondContact CE2-O 3.12Å; Y206-Q243 PolarHBondContact OH-O 3.29Å; Y206-P245 HydrophobicContact CD1-CG 4.33Å; Y206-P245 HydrophobicContact CG-CG 4.22Å; Y206-I269 HydrophobicContact CD1-CD1 4.43Å; Y206-I269 HydrophobicContact CD1-CG2 4.33Å; Y206-I269 HydrophobicContact CE1-CB 4.4Å; Y206-I269 HydrophobicContact CE1-CD1 3.6Å; Y206-I269 HydrophobicContact CE1-CG2 3.87Å
207	S	98.5	Very high	98.4	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-54.8	-44.2	-169.9	64.9	0	0	0	0	113.2	Y176 K205 H209 L210 Y211 Q236	Y176-S207 WeakPolarHBondContact CD1-OG 3.27Å; Y176-S207 PolarHBondContact O-N 3.05Å; K205-S207 PolarHBondContact O-N 2.74Å; S207-H209 VanDerWaalsContact C-N 3.33Å; S207-H209 PolarHBondContact O-N 3.37Å; S207-L210 WeakPolarHBondContact O-CB 3.47Å; S207-L210 PolarHBondContact O-N 3.17Å; S207-Y211 WeakPolarHBondContact O-CB 3.33Å; S207-Y211 WeakPolarHBondContact O-CD2 3.07Å; S207-Y211 PolarHBondContact O-N 2.8Å; S207-Q236 PolarHBondContact OG-OE1 3.4Å
208	T	98.8	Very high	98.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.7	-40.4	177.3	-43.8	0	0	0	0	112.4	Y206 T212 F235 A237 I269 V270 A273	Y206-T208 VanDerWaalsContact C-N 3.34Å; Y206-T208 VanDerWaalsContact CE1-OG1 3.31Å; Y206-T208 WeakPolarHBondContact CE1-OG1 3.41Å; Y206-T208 PolarHBondContact O-N 2.89Å; T208-T212 WeakPolarHBondContact O-CB 3.29Å; T208-T212 PolarHBondContact O-N 2.82Å; T208-T212 PolarHBondContact O-OG1 2.87Å; T208-F235 HydrophobicContact CG2-CD1 3.89Å; T208-F235 HydrophobicContact CG2-CE1 3.64Å; T208-F235 HydrophobicContact CG2-CZ 4.36Å; T208-A237 HydrophobicContact CG2-CB 4.34Å; T208-I269 HydrophobicContact CG2-CG2 3.86Å; T208-V270 HydrophobicContact CG2-CG2 4.43Å; T208-A273 HydrophobicContact CG2-CB 4.32Å
209	H	98.8	Very high	98.4	Very high	69 Å²	69	50.6 Å²	50.6	32%	0.319	22%	0.224	S	C	.	.	H	α-helix	trans	-69.3	-41.4	176	-64.6	166.9	0	0	0	111.6	Y206 S207 T212 Q213 I269	Y206-H209 AromaticContact CD1-CG 3.98Å; Y206-H209 WeakPolarHBondContact O-CB 3.5Å; Y206-H209 PolarHBondContact O-N 3.34Å; S207-H209 VanDerWaalsContact C-N 3.33Å; S207-H209 PolarHBondContact O-N 3.37Å; H209-T212 PolarHBondContact O-N 3.34Å; H209-Q213 WeakPolarHBondContact O-CB 3.4Å; H209-Q213 PolarHBondContact O-N 2.84Å; H209-I269 VanDerWaalsContact NE2-CG2 3.34Å; H209-I269 WeakPolarHBondContact NE2-CG2 3.42Å
210	L	98.8	Very high	98.4	Very high	9 Å²	9	52.8 Å²	52.8	5%	0.047	24%	0.242	C	C	.	.	H	α-helix	trans	-59.5	-49.3	176	175.5	65.3	0	0	0	111.5	L167 L192 H202 Y206 S207 Q213 R214	L167-L210 HydrophobicContact CD2-CD1 4.35Å; L167-L210 HydrophobicContact CD2-CD2 4.49Å; L167-L210 HydrophobicContact CD2-CG 4.15Å; L192-L210 HydrophobicContact CD2-CD2 3.81Å; H202-L210 HydrophobicContact CB-CD2 3.89Å; Y206-L210 PolarHBondContact O-N 3.24Å; S207-L210 WeakPolarHBondContact O-CB 3.47Å; S207-L210 PolarHBondContact O-N 3.17Å; L210-Q213 PolarHBondContact O-N 2.9Å; L210-R214 PolarHBondContact O-N 3.35Å
211	Y	98.9	Very high	98.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.3	-43.2	179.5	-62.7	-22.8	0	0	0	111.9	V144 M174 L192 S207 Q213 R214 V215 F235	V144-Y211 HydrophobicContact CG1-CD1 3.68Å; V144-Y211 HydrophobicContact CG1-CG 3.85Å; M174-Y211 WeakPolarHBondContact CE-OH 3.45Å; L192-Y211 HydrophobicContact CD1-CE1 4.06Å; S207-Y211 WeakPolarHBondContact O-CB 3.33Å; S207-Y211 WeakPolarHBondContact O-CD2 3.07Å; S207-Y211 PolarHBondContact O-N 2.8Å; Y211-Q213 VanDerWaalsContact C-N 3.32Å; Y211-Q213 PolarHBondContact O-N 2.89Å; Y211-R214 PolarHBondContact O-N 2.98Å; Y211-V215 PolarHBondContact O-N 3.43Å; Y211-F235 HydrophobicContact CD2-CD1 4.27Å
212	T	98.9	Very high	98.4	Very high	7 Å²	7	45.3 Å²	45.3	4%	0.043	24%	0.235	C	C	.	.	H	α-helix	trans	-58.3	-43.9	172.6	-55.2	0	0	0	0	111.6	T208 H209 V215 R216 A273 N276 I277	T208-T212 WeakPolarHBondContact O-CB 3.29Å; T208-T212 PolarHBondContact O-N 2.82Å; T208-T212 PolarHBondContact O-OG1 2.87Å; H209-T212 PolarHBondContact O-N 3.34Å; T212-V215 PolarHBondContact O-N 3.34Å; T212-R216 WeakPolarHBondContact O-CG 3.24Å; T212-R216 PolarHBondContact O-N 2.96Å; T212-A273 HydrophobicContact CG2-CB 4.18Å; T212-A273 WeakPolarHBondContact OG1-CB 3.38Å; T212-N276 HydrophobicContact CG2-CB 3.81Å; T212-I277 HydrophobicContact CG2-CG1 4.32Å
213	Q	98.8	Very high	98.3	Very high	93 Å²	93	48.2 Å²	48.2	44%	0.435	25%	0.251	S	S	.	.	H	α-helix	trans	-66	-38.9	178	-166.2	-175.6	42.7	0	0	111.9	H209 L210 Y211 R216 K217	H209-Q213 WeakPolarHBondContact O-CB 3.4Å; H209-Q213 PolarHBondContact O-N 2.84Å; L210-Q213 PolarHBondContact O-N 2.9Å; Y211-Q213 VanDerWaalsContact C-N 3.32Å; Y211-Q213 PolarHBondContact O-N 2.89Å; Q213-R216 PolarHBondContact O-N 3.18Å; Q213-K217 WeakPolarHBondContact O-CG 3.45Å; Q213-K217 PolarHBondContact O-N 3.33Å
214	R	98.9	Very high	98.1	Very high	56 Å²	56	43 Å²	43	21%	0.211	24%	0.235	C	C	.	.	H	α-helix	trans	-62.8	-46.7	176.3	176.5	61.6	178.4	150.6	4.5	111.7	V144 T165 L167 L210 Y211 R216 K217 I218	V144-R214 HydrophobicContact CG1-CB 4.06Å; V144-R214 HydrophobicContact CG1-CG 4.08Å; V144-R214 HydrophobicContact CG2-CB 4.44Å; V144-R214 HydrophobicContact CG2-CG 3.74Å; T165-R214 PolarHBondContact OG1-NH2 3.35Å; L167-R214 HydrophobicContact CB-CG 4.09Å; L167-R214 HydrophobicContact CD2-CB 3.58Å; L167-R214 HydrophobicContact CD2-CG 3.64Å; L210-R214 PolarHBondContact O-N 3.35Å; Y211-R214 PolarHBondContact O-N 2.98Å; R214-R216 VanDerWaalsContact C-N 3.34Å; R214-R216 PolarHBondContact O-N 3.04Å; R214-K217 WeakPolarHBondContact O-CB 3.43Å; R214-K217 PolarHBondContact O-N 3.26Å; R214-K217 VanDerWaalsContact O-N 3.12Å; R214-I218 HydrophobicContact CG-CD1 4.07Å; R214-I218 WeakPolarHBondContact O-CG1 3.31Å; R214-I218 PolarHBondContact O-N 2.85Å
215	V	98.9	Very high	97.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.6	-45.5	175	166.1	0	0	0	0	111.4	V144 Y211 T212 K217 I218 L219 I231 L233 I277	V144-V215 HydrophobicContact CB-CG2 4.24Å; V144-V215 HydrophobicContact CG2-CG2 3.94Å; Y211-V215 PolarHBondContact O-N 3.43Å; T212-V215 PolarHBondContact O-N 3.34Å; V215-K217 VanDerWaalsContact C-N 3.26Å; V215-K217 PolarHBondContact O-N 2.89Å; V215-I218 PolarHBondContact O-N 3.13Å; V215-L219 HydrophobicContact CG1-CD1 4.1Å; V215-L219 WeakPolarHBondContact O-CG 3.18Å; V215-L219 PolarHBondContact O-N 2.87Å; V215-I231 HydrophobicContact CG1-CD1 4.08Å; V215-I231 HydrophobicContact CG2-CG2 4Å; V215-L233 HydrophobicContact CG2-CD1 4Å; V215-L233 HydrophobicContact CG2-CD2 4.21Å; V215-L233 HydrophobicContact CG2-CG 4.49Å; V215-I277 HydrophobicContact CB-CG1 4.41Å; V215-I277 HydrophobicContact CG1-CD1 4.19Å; V215-I277 HydrophobicContact CG1-CG1 3.8Å; V215-I277 HydrophobicContact CG1-CG2 4Å
216	R	98.9	Very high	97.6	Very high	99 Å²	99	45.9 Å²	45.9	37%	0.374	25%	0.249	S	C	.	.	H	α-helix	trans	-62.7	-30.2	176.4	-71.2	176.9	65.4	-163.9	0.4	113.6	T212 Q213 R214 A220 A280	T212-R216 WeakPolarHBondContact O-CG 3.24Å; T212-R216 PolarHBondContact O-N 2.96Å; Q213-R216 PolarHBondContact O-N 3.18Å; R214-R216 VanDerWaalsContact C-N 3.34Å; R214-R216 PolarHBondContact O-N 3.04Å; R216-A220 VanDerWaalsContact O-CB 3.29Å; R216-A220 WeakPolarHBondContact O-CB 3.38Å; R216-A220 PolarHBondContact O-N 3.42Å; R216-A280 HydrophobicContact CG-CB 4.02Å
217	K	98.8	Very high	97.5	Very high	122 Å²	122	49 Å²	49	53%	0.53	26%	0.263	S	S	.	.	H	α-helix	trans	-73.6	-40.4	174.1	-76.3	178.9	176.6	-175	0	112.2	Q213 R214 V215 A220 A221	Q213-K217 WeakPolarHBondContact O-CG 3.45Å; Q213-K217 PolarHBondContact O-N 3.33Å; R214-K217 WeakPolarHBondContact O-CB 3.43Å; R214-K217 PolarHBondContact O-N 3.26Å; R214-K217 VanDerWaalsContact O-N 3.12Å; V215-K217 VanDerWaalsContact C-N 3.26Å; V215-K217 PolarHBondContact O-N 2.89Å; K217-A220 PolarHBondContact O-N 2.93Å; K217-A221 WeakPolarHBondContact O-CB 3.14Å; K217-A221 PolarHBondContact O-N 3.03Å; K217-A221 VanDerWaalsContact O-N 3.11Å
218	I	98.8	Very high	97.4	Very high	9 Å²	9	50.1 Å²	50.1	5%	0.046	27%	0.27	C	S	.	.	H	α-helix	trans	-58.5	-54	174.4	-69.1	160	0	0	0	109.5	H142 V144 R214 V215 A220 A221 H222 L229 I231	H142-I218 HydrophobicContact CB-CD1 3.81Å; V144-I218 HydrophobicContact CG2-CD1 4.04Å; R214-I218 HydrophobicContact CG-CD1 4.07Å; R214-I218 WeakPolarHBondContact O-CG1 3.31Å; R214-I218 PolarHBondContact O-N 2.85Å; V215-I218 PolarHBondContact O-N 3.13Å; I218-A220 PolarHBondContact O-N 3.46Å; I218-A220 VanDerWaalsContact O-N 3.13Å; I218-A221 PolarHBondContact O-N 3.3Å; I218-A221 VanDerWaalsContact O-N 3.1Å; I218-H222 WeakPolarHBondContact O-CB 3.35Å; I218-H222 PolarHBondContact O-N 2.91Å; I218-L229 HydrophobicContact CG2-CD1 3.92Å; I218-I231 HydrophobicContact CG2-CD1 4.08Å; I218-I231 HydrophobicContact CG2-CG1 4.48Å
219	L	98.7	Very high	97.4	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-62.1	-21.5	178.6	-64.8	174.4	0	0	0	114.4	V215 L229 I231 A280 L281 Y284 Y286	V215-L219 HydrophobicContact CG1-CD1 4.1Å; V215-L219 WeakPolarHBondContact O-CG 3.18Å; V215-L219 PolarHBondContact O-N 2.87Å; L219-L229 HydrophobicContact CD2-CD2 4.42Å; L219-I231 HydrophobicContact CD2-CD1 4.1Å; L219-I231 HydrophobicContact CG-CD1 4.3Å; L219-A280 HydrophobicContact CD1-CB 3.98Å; L219-L281 HydrophobicContact CD1-CD2 3.69Å; L219-L281 HydrophobicContact CD1-CG 4Å; L219-L281 HydrophobicContact CD2-CD2 3.71Å; L219-L281 HydrophobicContact CG-CD2 4.37Å; L219-Y284 HydrophobicContact CB-CD2 4.11Å; L219-Y284 WeakPolarHBondContact O-CB 3.22Å; L219-Y284 WeakPolarHBondContact O-CD2 3.47Å; L219-Y286 HydrophobicContact CB-CE2 4.28Å; L219-Y286 HydrophobicContact CD2-CD1 4.05Å; L219-Y286 HydrophobicContact CD2-CD2 4.06Å; L219-Y286 HydrophobicContact CD2-CE1 4.06Å; L219-Y286 HydrophobicContact CD2-CE2 4.11Å; L219-Y286 HydrophobicContact CD2-CG 4.06Å; L219-Y286 VanDerWaalsContact O-CE2 3.24Å; L219-Y286 WeakPolarHBondContact O-CE2 3.24Å
220	A	98.4	Very high	97.4	Very high	51 Å²	51	47 Å²	47	42%	0.421	26%	0.256	S	S	.	.	H	α-helix	trans	-89.8	-18.6	178.1	0	0	0	0	0	113.7	R216 K217 I218 Y284	R216-A220 VanDerWaalsContact O-CB 3.29Å; R216-A220 WeakPolarHBondContact O-CB 3.38Å; R216-A220 PolarHBondContact O-N 3.42Å; K217-A220 PolarHBondContact O-N 2.93Å; I218-A220 PolarHBondContact O-N 3.46Å; I218-A220 VanDerWaalsContact O-N 3.13Å; A220-Y284 HydrophobicContact CB-CD2 4.27Å; A220-Y284 HydrophobicContact CB-CE1 4.29Å; A220-Y284 HydrophobicContact CB-CE2 3.6Å
221	A	97.8	Very high	97.4	Very high	92 Å²	92	46.5 Å²	46.5	76%	0.76	25%	0.254	S	S	*	.	H	α-helix	trans	-105.3	-23.3	-176.5	0	0	0	0	0	113	K217 I218	K217-A221 WeakPolarHBondContact O-CB 3.14Å; K217-A221 PolarHBondContact O-N 3.03Å; K217-A221 VanDerWaalsContact O-N 3.11Å; I218-A221 PolarHBondContact O-N 3.3Å; I218-A221 VanDerWaalsContact O-N 3.1Å
222	H	97	Very high	97.4	Very high	36 Å²	36	46.7 Å²	46.7	17%	0.167	25%	0.254	C	S	.	.	S	Bend	trans	-85.7	150.3	174.6	-170.2	91.4	0	0	0	110.7	I218 Q227 L229 Y286	I218-H222 WeakPolarHBondContact O-CB 3.35Å; I218-H222 PolarHBondContact O-N 2.91Å; H222-Q227 PolarHBondContact NE2-O 3.2Å; H222-L229 HydrophobicContact CB-CD1 3.91Å; H222-Y286 VanDerWaalsContact CB-OH 3.27Å; H222-Y286 WeakPolarHBondContact CB-OH 3.33Å; H222-Y286 PolarHBondContact CD2-OH 3.16Å; H222-Y286 VanDerWaalsContact CD2-OH 3.28Å; H222-Y286 PolarHBondContact O-OH 3.25Å
223	D	94.6	Very high	97.4	Very high	75 Å²	75	46.3 Å²	46.3	40%	0.401	25%	0.252	S	S	.	.			trans	-99.1	119.7	173.5	162.8	30.9	0	0	0	110.1	L225 S226	D223-L225 PolarHBondContact O-N 3.29Å; D223-L225 PolarHBondContact OD1-N 3.35Å; D223-S226 WeakPolarHBondContact CB-OG 3.12Å; D223-S226 PolarHBondContact O-OG 3.24Å; D223-S226 WeakPolarHBondContact OD2-CB 3.49Å; D223-S226 PolarHBondContact OD2-N 3.16Å; D223-S226 PolarHBondContact OD2-OG 2.94Å
224	P	93.3	Very high	97.4	Very high	25 Å²	25	41.9 Å²	41.9	16%	0.162	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.6	-178.6	29	-38.3	0	0	0	114.1	H47 Y284 Y286	H47-P224 PolarHBondContact CE1-O 3.06Å; H47-P224 VanDerWaalsContact CE1-O 3.24Å; H47-P224 PolarHBondContact NE2-O 2.87Å; P224-Y284 WeakPolarHBondContact CG-O 3.48Å; P224-Y286 HydrophobicContact CB-CD1 3.87Å; P224-Y286 HydrophobicContact CB-CD2 4.25Å; P224-Y286 HydrophobicContact CB-CE1 3.76Å; P224-Y286 HydrophobicContact CB-CE2 4.1Å; P224-Y286 HydrophobicContact CB-CG 4.1Å; P224-Y286 HydrophobicContact CG-CE2 4.3Å
225	L	93.3	Very high	97.4	Very high	124 Å²	124	39.2 Å²	39.2	65%	0.649	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-25.4	-173.7	-60.3	-178.3	0	0	0	113.9	Q44 D223	Q44-L225 PolarHBondContact NE2-O 2.86Å; D223-L225 PolarHBondContact O-N 3.29Å; D223-L225 PolarHBondContact OD1-N 3.35Å
226	S	92.8	Very high	97.3	Very high	88 Å²	88	39.3 Å²	39.3	62%	0.615	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-35.2	-176.1	50	0	0	0	0	114.2	D223	D223-S226 WeakPolarHBondContact CB-OG 3.12Å; D223-S226 PolarHBondContact O-OG 3.24Å; D223-S226 WeakPolarHBondContact OD2-CB 3.49Å; D223-S226 PolarHBondContact OD2-N 3.16Å; D223-S226 PolarHBondContact OD2-OG 2.94Å
227	Q	95.6	Very high	97.3	Very high	73 Å²	73	34.6 Å²	34.6	34%	0.341	20%	0.204	S	C	.	.	S	Bend	trans	-150.2	135.2	-174.9	-165.3	-176.1	13.7	0	0	112.1	G138 H222	G138-Q227 WeakPolarHBondContact O-CG 3.32Å; G138-Q227 PolarHBondContact O-NE2 2.94Å; H222-Q227 PolarHBondContact NE2-O 3.2Å
228	P	97.9	Very high	97.2	Very high	23 Å²	23	28.8 Å²	28.8	15%	0.149	18%	0.179	C	C	.	.			trans	-68.4	157.7	172.1	31.8	-35.8	0	0	0	110.7	P45 Y139 S140	P45-P228 HydrophobicContact CB-CB 4.22Å; P45-P228 HydrophobicContact CB-CG 4.31Å; Y139-P228 WeakPolarHBondContact CA-O 3.42Å; Y139-P228 HydrophobicContact CD1-CB 3.96Å; Y139-P228 HydrophobicContact CD1-CG 4.34Å; Y139-P228 HydrophobicContact CD2-CB 4.1Å; Y139-P228 HydrophobicContact CD2-CG 3.68Å; Y139-P228 HydrophobicContact CE1-CB 3.73Å; Y139-P228 HydrophobicContact CE1-CG 4.39Å; Y139-P228 HydrophobicContact CE2-CB 3.85Å; Y139-P228 HydrophobicContact CE2-CG 3.7Å; Y139-P228 HydrophobicContact CG-CB 4.13Å; Y139-P228 HydrophobicContact CG-CG 3.99Å; S140-P228 PolarHBondContact N-O 2.87Å
229	L	97.6	Very high	97.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	133.7	-166	179.5	146.6	0	0	0	111.1	H47 I48 I49 S140 I218 L219 H222 I231	H47-L229 CarbonylContact C-O 3.51Å; H47-L229 WeakPolarHBondContact CA-O 3.06Å; H47-L229 PolarHBondContact ND1-N 3.46Å; I48-L229 PolarHBondContact N-O 2.87Å; I49-L229 HydrophobicContact CD1-CD2 4.22Å; S140-L229 WeakPolarHBondContact O-CA 3.22Å; I218-L229 HydrophobicContact CG2-CD1 3.92Å; L219-L229 HydrophobicContact CD2-CD2 4.42Å; H222-L229 HydrophobicContact CB-CD1 3.91Å; L229-I231 HydrophobicContact CD2-CB 4.44Å; L229-I231 HydrophobicContact CD2-CD1 3.51Å; L229-I231 HydrophobicContact CD2-CG1 3.61Å
230	F	98.9	Very high	97	Very high	3 Å²	3	31.6 Å²	31.6	1%	0.013	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	113.4	175.6	173.6	-132	0	0	0	109.8	I48 F50 L130 P131 L134 Y139 S140 T141 H142 F163 F232	I48-F230 HydrophobicContact CB-CD2 3.87Å; I48-F230 HydrophobicContact CG2-CD2 3.6Å; I48-F230 HydrophobicContact CG2-CE2 3.88Å; I48-F230 WeakPolarHBondContact O-CA 3.07Å; F50-F230 HydrophobicContact CB-CE2 4.02Å; L130-F230 HydrophobicContact CD2-CZ 4.07Å; P131-F230 HydrophobicContact CB-CD1 4.23Å; P131-F230 HydrophobicContact CB-CE1 4.03Å; L134-F230 HydrophobicContact CD1-CB 3.93Å; L134-F230 HydrophobicContact CD1-CD1 3.52Å; L134-F230 HydrophobicContact CD1-CD2 3.99Å; L134-F230 HydrophobicContact CD1-CE1 3.94Å; L134-F230 HydrophobicContact CD1-CE2 4.36Å; L134-F230 HydrophobicContact CD1-CG 3.54Å; L134-F230 HydrophobicContact CD1-CZ 4.33Å; Y139-F230 HydrophobicContact CD1-CB 4.02Å; S140-F230 PolarHBondContact O-N 3.5Å; T141-F230 HydrophobicContact CG2-CB 4.3Å; T141-F230 HydrophobicContact CG2-CD1 4.16Å; H142-F230 PolarHBondContact N-O 2.81Å; F163-F230 HydrophobicContact CE1-CD1 4.05Å; F163-F230 AromaticContact CE1-CE1 3.64Å; F163-F230 HydrophobicContact CE1-CE1 3.64Å; F163-F230 HydrophobicContact CZ-CE1 4.13Å; F230-F232 HydrophobicContact CE1-CB 4.33Å; F230-F232 HydrophobicContact CE2-CB 4.44Å; F230-F232 HydrophobicContact CZ-CB 3.94Å
231	I	98.9	Very high	97	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	119.9	167.1	-77	159.4	0	0	0	108.8	I48 I49 F50 H142 V215 I218 L219 L229 L233	I48-I231 PolarHBondContact O-N 3.46Å; I49-I231 HydrophobicContact CD1-CB 4.07Å; I49-I231 HydrophobicContact CD1-CD1 3.97Å; I49-I231 HydrophobicContact CD1-CG1 4.47Å; F50-I231 PolarHBondContact N-O 3.45Å; H142-I231 HydrophobicContact CB-CG1 4.14Å; H142-I231 WeakPolarHBondContact O-CA 3.27Å; V215-I231 HydrophobicContact CG1-CD1 4.08Å; V215-I231 HydrophobicContact CG2-CG2 4Å; I218-I231 HydrophobicContact CG2-CD1 4.08Å; I218-I231 HydrophobicContact CG2-CG1 4.48Å; L219-I231 HydrophobicContact CD2-CD1 4.1Å; L219-I231 HydrophobicContact CG-CD1 4.3Å; L229-I231 HydrophobicContact CD2-CB 4.44Å; L229-I231 HydrophobicContact CD2-CD1 3.51Å; L229-I231 HydrophobicContact CD2-CG1 3.61Å; I231-L233 HydrophobicContact CG2-CB 3.97Å
232	F	98.9	Very high	97	Very high	3 Å²	3	28.7 Å²	28.7	1%	0.013	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	98.5	159.5	-178.2	-144.2	0	0	0	109.1	F50 M52 L99 I100 H142 M143 V144 F163 F230 S234	F50-F232 HydrophobicContact CB-CD2 4.36Å; F50-F232 AromaticContact CD1-CD2 3.82Å; F50-F232 HydrophobicContact CD1-CD2 3.82Å; F50-F232 AromaticContact CD1-CE2 3.86Å; F50-F232 HydrophobicContact CD1-CE2 3.86Å; F50-F232 HydrophobicContact CE1-CE2 4.29Å; F50-F232 HydrophobicContact CG-CD2 4.42Å; M52-F232 HydrophobicContact CB-CE2 3.88Å; M52-F232 HydrophobicContact SD-CE2 4.09Å; M52-F232 HydrophobicContact SD-CZ 3.92Å; L99-F232 HydrophobicContact CD2-CD2 4.4Å; L99-F232 HydrophobicContact CD2-CE2 3.65Å; L99-F232 HydrophobicContact CD2-CZ 3.75Å; I100-F232 HydrophobicContact CD1-CD1 4.33Å; I100-F232 HydrophobicContact CD1-CE1 4.27Å; H142-F232 PolarHBondContact O-N 3.41Å; M143-F232 WeakPolarHBondContact CA-O 3.45Å; M143-F232 HydrophobicContact CE-CD1 3.73Å; M143-F232 HydrophobicContact CE-CE1 3.62Å; M143-F232 HydrophobicContact CG-CD1 4.05Å; M143-F232 HydrophobicContact SD-CD1 3.82Å; M143-F232 HydrophobicContact SD-CE1 4.21Å; V144-F232 PolarHBondContact N-O 2.82Å; F163-F232 HydrophobicContact CE1-CB 3.91Å; F163-F232 HydrophobicContact CZ-CB 3.95Å; F163-F232 AromaticContact CZ-CD1 3.89Å; F163-F232 HydrophobicContact CZ-CD1 3.89Å; F163-F232 HydrophobicContact CZ-CG 4.39Å; F230-F232 HydrophobicContact CE1-CB 4.33Å; F230-F232 HydrophobicContact CE2-CB 4.44Å; F230-F232 HydrophobicContact CZ-CB 3.94Å; F232-S234 WeakPolarHBondContact CZ-OG 3.46Å; F232-S234 PolarHBondContact O-N 2.82Å
233	L	98.9	Very high	97	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	96.1	174	178	57.7	0	0	0	108.9	F50 I51 M52 V144 V215 I231 F235 I277	F50-L233 PolarHBondContact O-N 2.95Å; I51-L233 WeakPolarHBondContact CA-O 3.24Å; I51-L233 HydrophobicContact CD1-CD2 4.46Å; I51-L233 HydrophobicContact CG1-CB 4.43Å; I51-L233 HydrophobicContact CG1-CD2 4.35Å; I51-L233 HydrophobicContact CG2-CD2 4.29Å; I51-L233 HydrophobicContact CG2-CG 4.49Å; M52-L233 PolarHBondContact N-O 3.39Å; V144-L233 HydrophobicContact CB-CD1 4.02Å; V144-L233 HydrophobicContact CG1-CD1 4.16Å; V144-L233 CarbonylContact O-C 3.52Å; V215-L233 HydrophobicContact CG2-CD1 4Å; V215-L233 HydrophobicContact CG2-CD2 4.21Å; V215-L233 HydrophobicContact CG2-CG 4.49Å; I231-L233 HydrophobicContact CG2-CB 3.97Å; L233-F235 HydrophobicContact CD1-CD1 4.27Å; L233-F235 HydrophobicContact CD1-CE1 3.93Å; L233-F235 HydrophobicContact CD1-CE2 4.42Å; L233-F235 HydrophobicContact CD1-CZ 4.03Å; L233-F235 HydrophobicContact CD2-CD2 4.41Å; L233-F235 HydrophobicContact CD2-CE1 4.2Å; L233-F235 HydrophobicContact CD2-CE2 3.57Å; L233-F235 HydrophobicContact CD2-CZ 3.44Å; L233-F235 VanDerWaalsContact CD2-CZ 3.44Å; L233-F235 HydrophobicContact CG-CD2 4.15Å; L233-F235 HydrophobicContact CG-CE1 4.2Å; L233-F235 HydrophobicContact CG-CE2 3.78Å; L233-F235 HydrophobicContact CG-CZ 3.81Å; L233-I277 HydrophobicContact CD2-CD1 3.23Å
234	S	98.7	Very high	97	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	82.5	-175.4	-158.8	0	0	0	0	109.9	R96 V144 G145 K146 F232	R96-S234 PolarHBondContact NH1-OG 3.31Å; V144-S234 PolarHBondContact O-N 2.99Å; G145-S234 CarbonylContact C-O 3.57Å; G145-S234 WeakPolarHBondContact CA-O 3.24Å; K146-S234 PolarHBondContact N-O 2.94Å; K146-S234 WeakPolarHBondContact O-CB 3.48Å; K146-S234 PolarHBondContact O-OG 3.07Å; K146-S234 VanDerWaalsContact O-OG 3.11Å; F232-S234 WeakPolarHBondContact CZ-OG 3.46Å; F232-S234 PolarHBondContact O-N 2.82Å
235	F	98.8	Very high	97.2	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.148	C	C	.	.			trans	-60	144.9	-178.5	-73.9	-64.4	0	0	0	111.6	I51 M52 T53 D54 T208 Y211 L233 A237 V270 A273	I51-F235 HydrophobicContact CG2-CD2 3.93Å; I51-F235 HydrophobicContact CG2-CE2 3.7Å; M52-F235 WeakPolarHBondContact O-CB 3.41Å; M52-F235 PolarHBondContact O-N 2.94Å; T53-F235 HydrophobicContact CG2-CD2 4.35Å; D54-F235 WeakPolarHBondContact CB-O 3.44Å; T208-F235 HydrophobicContact CG2-CD1 3.89Å; T208-F235 HydrophobicContact CG2-CE1 3.64Å; T208-F235 HydrophobicContact CG2-CZ 4.36Å; Y211-F235 HydrophobicContact CD2-CD1 4.27Å; L233-F235 HydrophobicContact CD1-CD1 4.27Å; L233-F235 HydrophobicContact CD1-CE1 3.93Å; L233-F235 HydrophobicContact CD1-CE2 4.42Å; L233-F235 HydrophobicContact CD1-CZ 4.03Å; L233-F235 HydrophobicContact CD2-CD2 4.41Å; L233-F235 HydrophobicContact CD2-CE1 4.2Å; L233-F235 HydrophobicContact CD2-CE2 3.57Å; L233-F235 HydrophobicContact CD2-CZ 3.44Å; L233-F235 VanDerWaalsContact CD2-CZ 3.44Å; L233-F235 HydrophobicContact CG-CD2 4.15Å; L233-F235 HydrophobicContact CG-CE1 4.2Å; L233-F235 HydrophobicContact CG-CE2 3.78Å; L233-F235 HydrophobicContact CG-CZ 3.81Å; F235-A237 VanDerWaalsContact C-N 3.31Å; F235-A237 HydrophobicContact CB-CB 4.14Å; F235-V270 HydrophobicContact CD2-CG1 4.27Å; F235-V270 HydrophobicContact CE2-CG1 4.16Å; F235-A273 HydrophobicContact CE1-CB 4.31Å; F235-A273 HydrophobicContact CE2-CB 4.48Å; F235-A273 HydrophobicContact CZ-CB 3.67Å
236	Q	96.9	Very high	97.2	Very high	1 Å²	1	27 Å²	27	1%	0.005	15%	0.149	C	C	.	.			trans	-75.3	-27.8	158.8	-169.7	-154.7	-17.5	0	0	110.8	D54 M174 Y176 S207 V238 H239	D54-Q236 WeakPolarHBondContact CB-O 3.49Å; M174-Q236 VanDerWaalsContact CE-OE1 3.29Å; M174-Q236 PolarHBondContact O-NE2 3.21Å; Y176-Q236 HydrophobicContact CE1-CB 4.48Å; Y176-Q236 HydrophobicContact CE1-CG 4.45Å; Y176-Q236 PolarHBondContact OH-O 2.86Å; S207-Q236 PolarHBondContact OG-OE1 3.4Å; Q236-V238 PolarHBondContact O-N 3.38Å; Q236-H239 VanDerWaalsContact O-CB 3.3Å; Q236-H239 WeakPolarHBondContact O-CB 3.42Å; Q236-H239 PolarHBondContact O-N 2.91Å
237	A	98.2	Very high	97.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	128.3	173	0	0	0	0	0	109.5	T53 D54 Y176 T208 F235 V270	T53-A237 WeakPolarHBondContact CA-O 3.44Å; T53-A237 WeakPolarHBondContact CB-O 3.2Å; D54-A237 PolarHBondContact N-O 3.4Å; D54-A237 CarbonylContact O-C 3.35Å; Y176-A237 HydrophobicContact CE1-CB 4.4Å; Y176-A237 WeakPolarHBondContact OH-CA 3.32Å; T208-A237 HydrophobicContact CG2-CB 4.34Å; F235-A237 VanDerWaalsContact C-N 3.31Å; F235-A237 HydrophobicContact CB-CB 4.14Å; A237-V270 HydrophobicContact CB-CG2 3.45Å; A237-V270 VanDerWaalsContact CB-CG2 3.45Å
238	V	97.6	Very high	97.4	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	cis	-119.3	31	14.9	-67.6	0	0	0	0	113.5	D54 Q56 Q236 Y263 M266 V267 V270	D54-V238 CarbonylContact O-C 3.58Å; D54-V238 PolarHBondContact O-N 3.1Å; Q56-V238 HydrophobicContact CB-CG2 4.12Å; Q236-V238 PolarHBondContact O-N 3.38Å; V238-Y263 HydrophobicContact CB-CD2 4.27Å; V238-Y263 HydrophobicContact CB-CE2 3.91Å; V238-Y263 HydrophobicContact CG2-CD2 4.2Å; V238-Y263 HydrophobicContact CG2-CE1 4.2Å; V238-Y263 HydrophobicContact CG2-CE2 3.38Å; V238-Y263 WeakPolarHBondContact CG2-OH 3.46Å; V238-M266 HydrophobicContact CB-CB 4.29Å; V238-M266 HydrophobicContact CG1-CB 3.78Å; V238-V267 HydrophobicContact CB-CG2 4.22Å; V238-V267 HydrophobicContact CG1-CB 4.31Å; V238-V267 HydrophobicContact CG1-CG2 3.66Å; V238-V267 HydrophobicContact CG2-CG2 3.97Å; V238-V270 HydrophobicContact CG1-CG2 4.2Å
239	H	98.1	Very high	97.2	Very high	20 Å²	20	27 Å²	27	9%	0.093	14%	0.137	C	C	.	.	S	Bend	trans	-62.8	157.9	177.8	-165.7	-78	0	0	0	112.4	D54 D55 Y176 Q236 K315	D54-H239 HydrophobicContact CB-CB 3.96Å; D54-H239 VanDerWaalsContact CG-CB 3.49Å; D54-H239 PolarHBondContact O-N 3.2Å; D54-H239 VanDerWaalsContact O-N 3.13Å; D54-H239 IonicContact OD1-CD2 3.54Å; D54-H239 PolarHBondContact OD1-CD2 3.33Å; D54-H239 WeakPolarHBondContact OD2-CB 3.21Å; D54-H239 IonicContact OD2-CD2 3.69Å; D54-H239 IonicContact OD2-CG 3.43Å; D55-H239 VanDerWaalsContact CG-CD2 3.46Å; D55-H239 IonicContact OD1-CD2 2.74Å; D55-H239 IonicContact OD2-CD2 3.18Å; D55-H239 PolarHBondContact OD2-CD2 3.17Å; D55-H239 VanDerWaalsContact OD2-CD2 3.26Å; D55-H239 IonicContact OD2-CG 3.29Å; D55-H239 IonicContact OD2-NE2 3.48Å; Y176-H239 WeakPolarHBondContact CE2-O 3.47Å; Y176-H239 PolarHBondContact OH-N 3.45Å; Y176-H239 PolarHBondContact OH-O 3.03Å; Q236-H239 VanDerWaalsContact O-CB 3.3Å; Q236-H239 WeakPolarHBondContact O-CB 3.42Å; Q236-H239 PolarHBondContact O-N 2.91Å; H239-K315 PolarHBondContact CD2-NZ 3.33Å; H239-K315 PolarHBondContact NE2-NZ 2.93Å
240	T	95.8	Very high	97	Very high	48 Å²	48	32.9 Å²	32.9	29%	0.294	16%	0.164	S	C	.	.	S	Bend	trans	-60.7	154.8	171.4	50.1	0	0	0	0	112.6	L242 S304	T240-L242 HydrophobicContact CG2-CD2 4.43Å; T240-L242 HydrophobicContact CG2-CG 4.45Å; T240-S304 VanDerWaalsContact CG2-CB 3.48Å; T240-S304 WeakPolarHBondContact CG2-OG 3.3Å
241	P	97.1	Very high	96.8	Very high	50 Å²	50	35.7 Å²	35.7	33%	0.325	18%	0.182	S	C	.	.	S	Bend	cis	-72.7	148.3	-0.8	31.7	-35.7	0	0	0	113	M174 Y176 Q243	M174-P241 WeakPolarHBondContact O-CD 3.43Å; Y176-P241 HydrophobicContact CD2-CG 4.37Å; Y176-P241 WeakPolarHBondContact CD2-O 3.29Å; Y176-P241 WeakPolarHBondContact CE2-O 3.32Å; P241-Q243 HydrophobicContact CB-CG 4.25Å; P241-Q243 HydrophobicContact CG-CG 4.2Å; P241-Q243 PolarHBondContact O-N 2.78Å
242	L	97.3	Very high	96.6	Very high	32 Å²	32	36.1 Å²	36.1	17%	0.168	18%	0.184	C	C	.	.			trans	-75.6	90.8	-178	-59.1	-179.3	0	0	0	111.3	T240 A259 K262 Y263 M266 S304	T240-L242 HydrophobicContact CG2-CD2 4.43Å; T240-L242 HydrophobicContact CG2-CG 4.45Å; L242-A259 HydrophobicContact CD1-CB 3.7Å; L242-K262 HydrophobicContact CB-CB 4.04Å; L242-K262 HydrophobicContact CB-CD 4.24Å; L242-Y263 HydrophobicContact CD2-CD2 4.21Å; L242-M266 HydrophobicContact CB-SD 4.19Å; L242-M266 HydrophobicContact CD2-CE 4.38Å; L242-M266 HydrophobicContact CD2-SD 3.88Å; L242-S304 WeakPolarHBondContact CD1-O 3.37Å; L242-S304 WeakPolarHBondContact CD2-O 3.39Å
243	Q	97.6	Very high	96.3	Very high	51 Å²	51	40.9 Å²	40.9	24%	0.238	20%	0.204	C	C	.	.			trans	-130.4	132.3	-175.7	-67.3	175.3	-26.5	0	0	109.1	N175 Y176 Y177 Y206 P241 M266	N175-Q243 PolarHBondContact ND2-NE2 3.12Å; N175-Q243 VanDerWaalsContact ND2-NE2 3.11Å; N175-Q243 PolarHBondContact OD1-OE1 2.65Å; Y176-Q243 HydrophobicContact CD2-CB 3.97Å; Y176-Q243 HydrophobicContact CG-CB 4.23Å; Y177-Q243 HydrophobicContact CE2-CB 4.31Å; Y206-Q243 VanDerWaalsContact CE2-O 3.27Å; Y206-Q243 WeakPolarHBondContact CE2-O 3.12Å; Y206-Q243 PolarHBondContact OH-O 3.29Å; P241-Q243 HydrophobicContact CB-CG 4.25Å; P241-Q243 HydrophobicContact CG-CG 4.2Å; P241-Q243 PolarHBondContact O-N 2.78Å; Q243-M266 WeakPolarHBondContact O-CG 3.29Å
244	C	95.3	Very high	95.9	Very high	16 Å²	16	47.1 Å²	47.1	11%	0.108	23%	0.234	C	C	.	.			trans	-153	162.7	175	40	0	0	0	0	109.2	Y177 A265 M266 I269	Y177-C244 PolarHBondContact OH-O 2.63Å; C244-A265 HydrophobicContact CB-CB 4.33Å; C244-M266 HydrophobicContact CB-CG 3.74Å; C244-I269 HydrophobicContact CB-CD1 3.78Å
245	P	96.5	Very high	95.5	Very high	14 Å²	14	48.3 Å²	48.3	9%	0.091	24%	0.24	C	C	.	.			trans	-65.9	144.5	168.4	-19.1	33.5	0	0	0	110.8	Y177 Y206 E247 Y248	Y177-P245 WeakPolarHBondContact OH-CA 3.35Å; Y177-P245 WeakPolarHBondContact OH-CG 3.28Å; Y177-P245 VanDerWaalsContact OH-N 3.1Å; Y206-P245 HydrophobicContact CD1-CG 4.33Å; Y206-P245 HydrophobicContact CG-CG 4.22Å; P245-E247 VanDerWaalsContact C-N 3.28Å; P245-E247 WeakPolarHBondContact CB-OE1 3.41Å; P245-E247 WeakPolarHBondContact CB-OE2 3.39Å; P245-E247 PolarHBondContact O-N 3.33Å; P245-Y248 HydrophobicContact CB-CD2 4.01Å; P245-Y248 HydrophobicContact CB-CE2 4.33Å; P245-Y248 HydrophobicContact CG-CD2 4.21Å; P245-Y248 HydrophobicContact CG-CE2 4.31Å; P245-Y248 PolarHBondContact O-N 3.29Å
246	Q	93.4	Very high	95.1	Very high	144 Å²	144	53.2 Å²	53.2	67%	0.673	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-64.1	-31.3	-166.8	-174.5	65.8	17.4	0	0	113	Y248 I249	Q246-Y248 VanDerWaalsContact C-N 3.25Å; Q246-Y248 PolarHBondContact O-N 3.14Å; Q246-I249 WeakPolarHBondContact O-CB 3.49Å; Q246-I249 PolarHBondContact O-N 2.83Å; Q246-I249 VanDerWaalsContact O-N 3.08Å
247	E	95	Very high	94.9	Very high	124 Å²	124	53.9 Å²	53.9	58%	0.579	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-60.6	-31.6	179.7	64	-84.1	-161.4	0	0	112.9	P245 I249 P251	P245-E247 VanDerWaalsContact C-N 3.28Å; P245-E247 WeakPolarHBondContact CB-OE1 3.41Å; P245-E247 WeakPolarHBondContact CB-OE2 3.39Å; P245-E247 PolarHBondContact O-N 3.33Å; E247-I249 VanDerWaalsContact C-N 3.3Å; E247-I249 PolarHBondContact O-N 2.79Å; E247-P251 WeakPolarHBondContact O-CD 3.48Å
248	Y	97.1	Very high	94.6	Very high	39 Å²	39	58.1 Å²	58.1	15%	0.153	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-77	-13.7	177.3	-67.3	-88.7	0	0	0	113.6	P245 Q246 P251 A265 I269	P245-Y248 HydrophobicContact CB-CD2 4.01Å; P245-Y248 HydrophobicContact CB-CE2 4.33Å; P245-Y248 HydrophobicContact CG-CD2 4.21Å; P245-Y248 HydrophobicContact CG-CE2 4.31Å; P245-Y248 PolarHBondContact O-N 3.29Å; Q246-Y248 VanDerWaalsContact C-N 3.25Å; Q246-Y248 PolarHBondContact O-N 3.14Å; Y248-P251 WeakPolarHBondContact O-CD 3.22Å; Y248-A265 WeakPolarHBondContact O-CB 3.3Å; Y248-I269 HydrophobicContact CD1-CD1 4.28Å; Y248-I269 HydrophobicContact CD1-CG1 3.42Å; Y248-I269 VanDerWaalsContact CD1-CG1 3.42Å; Y248-I269 HydrophobicContact CD2-CD1 3.8Å; Y248-I269 HydrophobicContact CD2-CG1 3.71Å; Y248-I269 HydrophobicContact CE1-CB 4.46Å; Y248-I269 HydrophobicContact CE1-CG1 3.56Å; Y248-I269 HydrophobicContact CE2-CD1 4.22Å; Y248-I269 HydrophobicContact CE2-CG1 3.86Å; Y248-I269 HydrophobicContact CG-CD1 3.83Å; Y248-I269 HydrophobicContact CG-CG1 3.49Å; Y248-I269 VanDerWaalsContact CG-CG1 3.49Å
249	I	95.1	Very high	94.4	Very high	22 Å²	22	59.2 Å²	59.2	11%	0.113	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-30.9	178.8	-58.3	-178	0	0	0	111	Q246 E247 Y252 K253 R261 K262 A265	Q246-I249 WeakPolarHBondContact O-CB 3.49Å; Q246-I249 PolarHBondContact O-N 2.83Å; Q246-I249 VanDerWaalsContact O-N 3.08Å; E247-I249 VanDerWaalsContact C-N 3.3Å; E247-I249 PolarHBondContact O-N 2.79Å; I249-Y252 PolarHBondContact O-N 2.88Å; I249-Y252 VanDerWaalsContact O-N 3.08Å; I249-K253 PolarHBondContact O-N 2.75Å; I249-R261 HydrophobicContact CG2-CG 3.95Å; I249-K262 HydrophobicContact CD1-CG 4.3Å; I249-A265 HydrophobicContact CG1-CB 4.02Å
250	H	93.8	Very high	94.3	Very high	123 Å²	123	58.3 Å²	58.3	57%	0.569	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-58	-43.2	-175.5	-172.9	95.2	0	0	0	114.4	Y252 K253	H250-Y252 PolarHBondContact O-N 3.19Å; H250-K253 WeakPolarHBondContact O-CB 3.31Å; H250-K253 PolarHBondContact O-N 3.24Å
251	P	94.8	Very high	94.3	Very high	61 Å²	61	58.8 Å²	58.8	40%	0.396	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-58.7	-19.2	176.6	-25.8	36	0	0	0	114.9	E247 Y248	E247-P251 WeakPolarHBondContact O-CD 3.48Å; Y248-P251 WeakPolarHBondContact O-CD 3.22Å
252	Y	94.8	Very high	94.3	Very high	10 Å²	10	60.2 Å²	60.2	4%	0.039	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-109.7	12.6	-176.2	-63.3	-68.5	0	0	0	113.7	R69 I249 H250 E254 L255 R261 A264 A265 S268	R69-Y252 WeakPolarHBondContact CB-OH 3.27Å; R69-Y252 HydrophobicContact CG-CE1 4.33Å; R69-Y252 PolarHBondContact N-OH 2.98Å; I249-Y252 PolarHBondContact O-N 2.88Å; I249-Y252 VanDerWaalsContact O-N 3.08Å; H250-Y252 PolarHBondContact O-N 3.19Å; Y252-E254 PolarHBondContact O-N 3.18Å; Y252-L255 HydrophobicContact CD1-CD1 3.7Å; Y252-L255 HydrophobicContact CD1-CG 4.48Å; Y252-L255 HydrophobicContact CG-CD1 4.21Å; Y252-L255 WeakPolarHBondContact O-CB 3.46Å; Y252-L255 PolarHBondContact O-N 2.86Å; Y252-R261 WeakPolarHBondContact O-CG 3.43Å; Y252-A264 HydrophobicContact CD1-CB 3.71Å; Y252-A264 HydrophobicContact CD2-CB 3.89Å; Y252-A264 HydrophobicContact CE1-CB 3.8Å; Y252-A264 HydrophobicContact CE2-CB 3.97Å; Y252-A264 WeakPolarHBondContact CE2-O 3.45Å; Y252-A264 HydrophobicContact CG-CB 3.75Å; Y252-A265 HydrophobicContact CD2-CB 4.43Å; Y252-S268 WeakPolarHBondContact CE2-OG 3.44Å; Y252-S268 VanDerWaalsContact CZ-OG 3.32Å; Y252-S268 PolarHBondContact OH-OG 2.78Å
253	K	91.6	Very high	94.3	Very high	102 Å²	102	58.8 Å²	58.8	44%	0.443	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-26.7	-176.6	70.7	-170.2	-175.9	-174.1	0	114.8	I249 H250 R261	I249-K253 PolarHBondContact O-N 2.75Å; H250-K253 WeakPolarHBondContact O-CB 3.31Å; H250-K253 PolarHBondContact O-N 3.24Å; K253-R261 PolarHBondContact O-NH1 2.82Å; K253-R261 PolarHBondContact O-NH2 2.98Å
254	E	90.9	Very high	94.3	Very high	132 Å²	132	56.3 Å²	56.3	62%	0.617	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-21.2	177.9	-49.4	-51	148.6	0	0	113.7	Y252 Q256	Y252-E254 PolarHBondContact O-N 3.18Å; E254-Q256 PolarHBondContact O-N 2.91Å; E254-Q256 VanDerWaalsContact O-N 3.09Å; E254-Q256 PolarHBondContact O-NE2 2.85Å
255	L	91	Very high	94.5	Very high	25 Å²	25	55.6 Å²	55.6	13%	0.131	27%	0.271	C	S	.	.			trans	-71.3	105.4	176.9	-62.8	-178.2	0	0	0	109.2	D67 Y252 N257 R260 R261 A264	D67-L255 HydrophobicContact CB-CD2 4.16Å; D67-L255 WeakPolarHBondContact OD2-CD1 3.47Å; Y252-L255 HydrophobicContact CD1-CD1 3.7Å; Y252-L255 HydrophobicContact CD1-CG 4.48Å; Y252-L255 HydrophobicContact CG-CD1 4.21Å; Y252-L255 WeakPolarHBondContact O-CB 3.46Å; Y252-L255 PolarHBondContact O-N 2.86Å; L255-N257 VanDerWaalsContact C-N 3.28Å; L255-N257 PolarHBondContact O-N 3.29Å; L255-R260 HydrophobicContact CD1-CG 4.16Å; L255-R261 HydrophobicContact CB-CB 4.28Å; L255-R261 VanDerWaalsContact O-CZ 3.23Å; L255-R261 PolarHBondContact O-NE 2.96Å; L255-R261 PolarHBondContact O-NH2 3.08Å; L255-A264 HydrophobicContact CD1-CB 4.11Å
256	Q	90.3	Very high	94.6	Very high	103 Å²	103	54.9 Å²	54.9	48%	0.481	27%	0.266	S	S	.	.			trans	-65.7	-32.7	-171.6	-59.5	-56.9	-53.2	0	0	112.6	E254 V258 P443	E254-Q256 PolarHBondContact O-N 2.91Å; E254-Q256 VanDerWaalsContact O-N 3.09Å; E254-Q256 PolarHBondContact O-NE2 2.85Å; Q256-V258 PolarHBondContact O-N 3.24Å; Q256-P443 HydrophobicContact CB-CB 4.21Å; Q256-P443 HydrophobicContact CB-CG 3.76Å; Q256-P443 HydrophobicContact CG-CG 4.39Å
257	N	91.6	Very high	94.8	Very high	14 Å²	14	48 Å²	48	8%	0.075	23%	0.234	C	C	.	.			trans	-70.3	113.3	175.2	-167	-71.1	0	0	0	111.4	L255 A259 R260 R261 P440 L442	L255-N257 VanDerWaalsContact C-N 3.28Å; L255-N257 PolarHBondContact O-N 3.29Å; N257-A259 VanDerWaalsContact C-N 3.29Å; N257-A259 PolarHBondContact O-N 2.74Å; N257-A259 WeakPolarHBondContact OD1-CB 3.42Å; N257-A259 PolarHBondContact OD1-N 2.79Å; N257-A259 VanDerWaalsContact OD1-N 3.12Å; N257-R260 HydrophobicContact CB-CB 3.84Å; N257-R260 PolarHBondContact O-N 3.26Å; N257-R260 PolarHBondContact OD1-N 2.83Å; N257-R261 WeakPolarHBondContact O-CB 3.37Å; N257-R261 PolarHBondContact O-N 3.5Å; N257-P440 WeakPolarHBondContact CB-O 3.36Å; N257-L442 VanDerWaalsContact CB-O 3.31Å; N257-L442 WeakPolarHBondContact CB-O 3.41Å; N257-L442 PolarHBondContact ND2-O 3.15Å; N257-L442 VanDerWaalsContact ND2-O 3.16Å
258	V	92.6	Very high	95	Very high	89 Å²	89	43 Å²	43	54%	0.539	21%	0.213	S	C	.	.	H	α-helix	trans	-63.1	-34.1	-177	179.2	0	0	0	0	112.4	Q256 K262	Q256-V258 PolarHBondContact O-N 3.24Å; V258-K262 HydrophobicContact CG1-CD 4.47Å; V258-K262 WeakPolarHBondContact O-CG 3.23Å; V258-K262 PolarHBondContact O-N 2.79Å; V258-K262 VanDerWaalsContact O-N 3.13Å
259	A	93.6	Very high	95.1	Very high	25 Å²	25	41.2 Å²	41.2	21%	0.207	21%	0.206	C	C	.	.	H	α-helix	trans	-68.5	-51	176.7	0	0	0	0	0	110.7	L242 N257 R261 K262 Y263	L242-A259 HydrophobicContact CD1-CB 3.7Å; N257-A259 VanDerWaalsContact C-N 3.29Å; N257-A259 PolarHBondContact O-N 2.74Å; N257-A259 WeakPolarHBondContact OD1-CB 3.42Å; N257-A259 PolarHBondContact OD1-N 2.79Å; N257-A259 VanDerWaalsContact OD1-N 3.12Å; A259-R261 VanDerWaalsContact C-N 3.28Å; A259-R261 PolarHBondContact O-N 3.1Å; A259-K262 PolarHBondContact O-N 3.5Å; A259-Y263 VanDerWaalsContact O-CB 3.22Å; A259-Y263 WeakPolarHBondContact O-CB 3.46Å; A259-Y263 PolarHBondContact O-N 3.48Å
260	R	95.2	Very high	95.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-55.9	-42.2	174.5	-173.8	53.5	167.8	-169.3	2.1	112	D60 S66 D67 L255 N257 Y263 A264 G305 P440	D60-R260 IonicContact OD1-CZ 2.66Å; D60-R260 IonicContact OD1-NH1 2.76Å; D60-R260 PolarHBondContact OD1-NH1 3.41Å; D60-R260 IonicContact OD1-NH2 2.85Å; D60-R260 PolarHBondContact OD1-NH2 2.67Å; D60-R260 IonicContact OD2-NH1 3.24Å; S66-R260 PolarHBondContact OG-NH2 2.88Å; D67-R260 IonicContact OD1-CZ 3.81Å; D67-R260 VanDerWaalsContact OD1-CZ 3.27Å; D67-R260 IonicContact OD1-NE 2.61Å; D67-R260 PolarHBondContact OD1-NE 2.95Å; D67-R260 VanDerWaalsContact OD1-NE 3.12Å; D67-R260 IonicContact OD1-NH2 3.02Å; D67-R260 PolarHBondContact OD1-NH2 2.87Å; D67-R260 WeakPolarHBondContact OD2-CG 3.34Å; D67-R260 IonicContact OD2-CZ 3.76Å; D67-R260 IonicContact OD2-NE 3.48Å; D67-R260 PolarHBondContact OD2-NE 3.24Å; D67-R260 IonicContact OD2-NH2 3.91Å; L255-R260 HydrophobicContact CD1-CG 4.16Å; N257-R260 HydrophobicContact CB-CB 3.84Å; N257-R260 PolarHBondContact O-N 3.26Å; N257-R260 PolarHBondContact OD1-N 2.83Å; R260-Y263 PolarHBondContact O-N 3.38Å; R260-A264 VanDerWaalsContact O-CB 3.27Å; R260-A264 WeakPolarHBondContact O-CB 3.37Å; R260-A264 PolarHBondContact O-N 3.08Å; R260-G305 WeakPolarHBondContact CD-O 3.22Å; R260-G305 PolarHBondContact NH1-O 2.91Å; R260-P440 HydrophobicContact CB-CG 4.08Å; R260-P440 WeakPolarHBondContact CB-O 3.38Å; R260-P440 HydrophobicContact CG-CG 4.11Å
261	R	95.6	Very high	95.5	Very high	58 Å²	58	34.8 Å²	34.8	22%	0.219	18%	0.176	C	C	.	.	H	α-helix	trans	-60.3	-48.6	178.7	-169.7	-174.8	-55.2	-174.6	1.7	112.6	I249 Y252 K253 L255 N257 A259 A265	I249-R261 HydrophobicContact CG2-CG 3.95Å; Y252-R261 WeakPolarHBondContact O-CG 3.43Å; K253-R261 PolarHBondContact O-NH1 2.82Å; K253-R261 PolarHBondContact O-NH2 2.98Å; L255-R261 HydrophobicContact CB-CB 4.28Å; L255-R261 VanDerWaalsContact O-CZ 3.23Å; L255-R261 PolarHBondContact O-NE 2.96Å; L255-R261 PolarHBondContact O-NH2 3.08Å; N257-R261 WeakPolarHBondContact O-CB 3.37Å; N257-R261 PolarHBondContact O-N 3.5Å; A259-R261 VanDerWaalsContact C-N 3.28Å; A259-R261 PolarHBondContact O-N 3.1Å; R261-A265 PolarHBondContact O-N 2.99Å
262	K	96.9	Very high	95.7	Very high	80 Å²	80	34.7 Å²	34.7	35%	0.348	17%	0.17	S	C	.	.	H	α-helix	trans	-67.2	-39.8	176.8	-71.4	-179.2	174.4	-171	0	111.7	L242 I249 V258 A259 A265 M266	L242-K262 HydrophobicContact CB-CB 4.04Å; L242-K262 HydrophobicContact CB-CD 4.24Å; I249-K262 HydrophobicContact CD1-CG 4.3Å; V258-K262 HydrophobicContact CG1-CD 4.47Å; V258-K262 WeakPolarHBondContact O-CG 3.23Å; V258-K262 PolarHBondContact O-N 2.79Å; V258-K262 VanDerWaalsContact O-N 3.13Å; A259-K262 PolarHBondContact O-N 3.5Å; K262-A265 WeakPolarHBondContact O-CB 3.27Å; K262-A265 PolarHBondContact O-N 3.47Å; K262-M266 VanDerWaalsContact O-CG 3.22Å; K262-M266 WeakPolarHBondContact O-CG 3.49Å; K262-M266 PolarHBondContact O-N 3.15Å
263	Y	97.9	Very high	95.9	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.008	17%	0.169	C	C	.	.	H	α-helix	trans	-62.3	-45.9	176.4	-176.1	-85.7	0	0	0	112	D55 Q56 G57 D60 I68 V238 L242 A259 R260 A265 M266 V267 S304 G305 G306	D55-Y263 PolarHBondContact O-OH 3.05Å; Q56-Y263 VanDerWaalsContact CA-OH 3.31Å; Q56-Y263 WeakPolarHBondContact CA-OH 3.45Å; G57-Y263 PolarHBondContact N-OH 3.3Å; D60-Y263 HydrophobicContact CB-CE1 4.02Å; D60-Y263 WeakPolarHBondContact OD2-CE1 3.46Å; D60-Y263 PolarHBondContact OD2-OH 2.87Å; I68-Y263 HydrophobicContact CD1-CD1 3.79Å; I68-Y263 HydrophobicContact CD1-CE1 3.88Å; V238-Y263 HydrophobicContact CB-CD2 4.27Å; V238-Y263 HydrophobicContact CB-CE2 3.91Å; V238-Y263 HydrophobicContact CG2-CD2 4.2Å; V238-Y263 HydrophobicContact CG2-CE1 4.2Å; V238-Y263 HydrophobicContact CG2-CE2 3.38Å; V238-Y263 WeakPolarHBondContact CG2-OH 3.46Å; L242-Y263 HydrophobicContact CD2-CD2 4.21Å; A259-Y263 VanDerWaalsContact O-CB 3.22Å; A259-Y263 WeakPolarHBondContact O-CB 3.46Å; A259-Y263 PolarHBondContact O-N 3.48Å; R260-Y263 PolarHBondContact O-N 3.38Å; Y263-A265 VanDerWaalsContact C-N 3.32Å; Y263-A265 PolarHBondContact O-N 3.2Å; Y263-M266 WeakPolarHBondContact O-CA 3.4Å; Y263-M266 WeakPolarHBondContact O-CB 3.38Å; Y263-M266 PolarHBondContact O-N 3.36Å; Y263-V267 HydrophobicContact CD1-CG2 3.97Å; Y263-V267 HydrophobicContact CE1-CG2 3.67Å; Y263-V267 WeakPolarHBondContact O-CG2 3.47Å; Y263-V267 PolarHBondContact O-N 3.29Å; Y263-S304 VanDerWaalsContact CD2-O 3.24Å; Y263-S304 WeakPolarHBondContact CD2-O 3.39Å; Y263-G305 VanDerWaalsContact CD1-O 3.27Å; Y263-G305 WeakPolarHBondContact CD1-O 3.48Å; Y263-G306 VanDerWaalsContact CZ-CA 3.46Å
264	A	97.9	Very high	96.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60	-40.5	175.7	0	0	0	0	0	112.6	I68 Y252 L255 R260 V267 S268	I68-A264 HydrophobicContact CB-CB 4.46Å; I68-A264 HydrophobicContact CD1-CB 4.18Å; I68-A264 HydrophobicContact CG1-CB 3.76Å; I68-A264 HydrophobicContact CG2-CB 4.2Å; Y252-A264 HydrophobicContact CD1-CB 3.71Å; Y252-A264 HydrophobicContact CD2-CB 3.89Å; Y252-A264 HydrophobicContact CE1-CB 3.8Å; Y252-A264 HydrophobicContact CE2-CB 3.97Å; Y252-A264 WeakPolarHBondContact CE2-O 3.45Å; Y252-A264 HydrophobicContact CG-CB 3.75Å; L255-A264 HydrophobicContact CD1-CB 4.11Å; R260-A264 VanDerWaalsContact O-CB 3.27Å; R260-A264 WeakPolarHBondContact O-CB 3.37Å; R260-A264 PolarHBondContact O-N 3.08Å; A264-V267 PolarHBondContact O-N 3.25Å; A264-S268 WeakPolarHBondContact O-CB 3.24Å; A264-S268 PolarHBondContact O-N 2.83Å; A264-S268 PolarHBondContact O-OG 2.8Å
265	A	98.3	Very high	96.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60	-46.2	171	0	0	0	0	0	111.6	C244 Y248 I249 Y252 R261 K262 Y263 S268 I269	C244-A265 HydrophobicContact CB-CB 4.33Å; Y248-A265 WeakPolarHBondContact O-CB 3.3Å; I249-A265 HydrophobicContact CG1-CB 4.02Å; Y252-A265 HydrophobicContact CD2-CB 4.43Å; R261-A265 PolarHBondContact O-N 2.99Å; K262-A265 WeakPolarHBondContact O-CB 3.27Å; K262-A265 PolarHBondContact O-N 3.47Å; Y263-A265 VanDerWaalsContact C-N 3.32Å; Y263-A265 PolarHBondContact O-N 3.2Å; A265-S268 WeakPolarHBondContact O-CB 3.39Å; A265-S268 PolarHBondContact O-N 3.37Å; A265-I269 WeakPolarHBondContact O-CG1 3.27Å; A265-I269 PolarHBondContact O-N 3.23Å; A265-I269 VanDerWaalsContact O-N 3.14Å
266	M	98.8	Very high	97	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.7	-42.7	177.7	-64.6	162.9	72	0	0	112.8	Y176 V238 L242 Q243 C244 K262 Y263 S268 I269 V270	Y176-M266 HydrophobicContact CD2-CE 4.49Å; Y176-M266 HydrophobicContact CE1-CE 3.98Å; Y176-M266 HydrophobicContact CE2-CE 3.64Å; Y176-M266 WeakPolarHBondContact OH-CE 3.38Å; V238-M266 HydrophobicContact CB-CB 4.29Å; V238-M266 HydrophobicContact CG1-CB 3.78Å; L242-M266 HydrophobicContact CB-SD 4.19Å; L242-M266 HydrophobicContact CD2-CE 4.38Å; L242-M266 HydrophobicContact CD2-SD 3.88Å; Q243-M266 WeakPolarHBondContact O-CG 3.29Å; C244-M266 HydrophobicContact CB-CG 3.74Å; K262-M266 VanDerWaalsContact O-CG 3.22Å; K262-M266 WeakPolarHBondContact O-CG 3.49Å; K262-M266 PolarHBondContact O-N 3.15Å; Y263-M266 WeakPolarHBondContact O-CA 3.4Å; Y263-M266 WeakPolarHBondContact O-CB 3.38Å; Y263-M266 PolarHBondContact O-N 3.36Å; M266-S268 VanDerWaalsContact C-N 3.3Å; M266-S268 PolarHBondContact O-N 3.28Å; M266-I269 PolarHBondContact O-N 2.71Å; M266-V270 PolarHBondContact O-N 3.09Å
267	V	98.8	Very high	97.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.1	-37.3	174.7	175.6	0	0	0	0	111	I68 T70 V238 Y263 A264 I269 V270 D271	I68-V267 HydrophobicContact CD1-CB 4.44Å; I68-V267 HydrophobicContact CD1-CG2 4.08Å; I68-V267 HydrophobicContact CG2-CB 3.78Å; I68-V267 HydrophobicContact CG2-CG1 3.69Å; T70-V267 HydrophobicContact CG2-CG1 3.45Å; T70-V267 VanDerWaalsContact CG2-CG1 3.45Å; V238-V267 HydrophobicContact CB-CG2 4.22Å; V238-V267 HydrophobicContact CG1-CB 4.31Å; V238-V267 HydrophobicContact CG1-CG2 3.66Å; V238-V267 HydrophobicContact CG2-CG2 3.97Å; Y263-V267 HydrophobicContact CD1-CG2 3.97Å; Y263-V267 HydrophobicContact CE1-CG2 3.67Å; Y263-V267 WeakPolarHBondContact O-CG2 3.47Å; Y263-V267 PolarHBondContact O-N 3.29Å; A264-V267 PolarHBondContact O-N 3.25Å; V267-I269 VanDerWaalsContact C-N 3.28Å; V267-I269 PolarHBondContact O-N 3.05Å; V267-V270 WeakPolarHBondContact O-CA 3.44Å; V267-V270 WeakPolarHBondContact O-CB 3.09Å; V267-V270 PolarHBondContact O-N 2.82Å; V267-D271 PolarHBondContact O-N 2.95Å
268	S	98.6	Very high	97.7	Very high	18 Å²	18	24.1 Å²	24.1	13%	0.126	12%	0.119	C	C	.	.	H	α-helix	trans	-65.6	-31.1	177.1	-53.8	0	0	0	0	112.6	Y252 A264 A265 M266 V270 D271 E272	Y252-S268 WeakPolarHBondContact CE2-OG 3.44Å; Y252-S268 VanDerWaalsContact CZ-OG 3.32Å; Y252-S268 PolarHBondContact OH-OG 2.78Å; A264-S268 WeakPolarHBondContact O-CB 3.24Å; A264-S268 PolarHBondContact O-N 2.83Å; A264-S268 PolarHBondContact O-OG 2.8Å; A265-S268 WeakPolarHBondContact O-CB 3.39Å; A265-S268 PolarHBondContact O-N 3.37Å; M266-S268 VanDerWaalsContact C-N 3.3Å; M266-S268 PolarHBondContact O-N 3.28Å; S268-V270 VanDerWaalsContact C-N 3.32Å; S268-D271 WeakPolarHBondContact O-CB 3.47Å; S268-D271 PolarHBondContact O-N 2.82Å; S268-E272 PolarHBondContact O-N 2.71Å
269	I	98.8	Very high	98	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-71.2	-30.7	173.4	-57.2	159.5	0	0	0	110.7	Y206 T208 H209 C244 Y248 A265 M266 V267 A273	Y206-I269 HydrophobicContact CD1-CD1 4.43Å; Y206-I269 HydrophobicContact CD1-CG2 4.33Å; Y206-I269 HydrophobicContact CE1-CB 4.4Å; Y206-I269 HydrophobicContact CE1-CD1 3.6Å; Y206-I269 HydrophobicContact CE1-CG2 3.87Å; T208-I269 HydrophobicContact CG2-CG2 3.86Å; H209-I269 VanDerWaalsContact NE2-CG2 3.34Å; H209-I269 WeakPolarHBondContact NE2-CG2 3.42Å; C244-I269 HydrophobicContact CB-CD1 3.78Å; Y248-I269 HydrophobicContact CD1-CD1 4.28Å; Y248-I269 HydrophobicContact CD1-CG1 3.42Å; Y248-I269 VanDerWaalsContact CD1-CG1 3.42Å; Y248-I269 HydrophobicContact CD2-CD1 3.8Å; Y248-I269 HydrophobicContact CD2-CG1 3.71Å; Y248-I269 HydrophobicContact CE1-CB 4.46Å; Y248-I269 HydrophobicContact CE1-CG1 3.56Å; Y248-I269 HydrophobicContact CE2-CD1 4.22Å; Y248-I269 HydrophobicContact CE2-CG1 3.86Å; Y248-I269 HydrophobicContact CG-CD1 3.83Å; Y248-I269 HydrophobicContact CG-CG1 3.49Å; Y248-I269 VanDerWaalsContact CG-CG1 3.49Å; A265-I269 WeakPolarHBondContact O-CG1 3.27Å; A265-I269 PolarHBondContact O-N 3.23Å; A265-I269 VanDerWaalsContact O-N 3.14Å; M266-I269 PolarHBondContact O-N 2.71Å; V267-I269 VanDerWaalsContact C-N 3.28Å; V267-I269 PolarHBondContact O-N 3.05Å; I269-A273 VanDerWaalsContact O-CB 3.27Å; I269-A273 WeakPolarHBondContact O-CB 3.49Å; I269-A273 PolarHBondContact O-N 2.88Å
270	V	98.9	Very high	98.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-67.4	-42.5	170.3	178.5	0	0	0	0	111	T53 T208 F235 A237 V238 M266 V267 S268 E272 A273 V274 F294	T53-V270 HydrophobicContact CG2-CG1 3.74Å; T53-V270 HydrophobicContact CG2-CG2 4.3Å; T208-V270 HydrophobicContact CG2-CG2 4.43Å; F235-V270 HydrophobicContact CD2-CG1 4.27Å; F235-V270 HydrophobicContact CE2-CG1 4.16Å; A237-V270 HydrophobicContact CB-CG2 3.45Å; A237-V270 VanDerWaalsContact CB-CG2 3.45Å; V238-V270 HydrophobicContact CG1-CG2 4.2Å; M266-V270 PolarHBondContact O-N 3.09Å; V267-V270 WeakPolarHBondContact O-CA 3.44Å; V267-V270 WeakPolarHBondContact O-CB 3.09Å; V267-V270 PolarHBondContact O-N 2.82Å; S268-V270 VanDerWaalsContact C-N 3.32Å; V270-E272 PolarHBondContact O-N 3.44Å; V270-A273 WeakPolarHBondContact O-CB 3.43Å; V270-A273 PolarHBondContact O-N 3.12Å; V270-A273 VanDerWaalsContact O-N 3.14Å; V270-V274 HydrophobicContact CG1-CG2 4.46Å; V270-V274 WeakPolarHBondContact O-CG2 3.27Å; V270-V274 PolarHBondContact O-N 3.04Å; V270-F294 HydrophobicContact CG1-CE2 4Å; V270-F294 HydrophobicContact CG1-CZ 4.25Å
271	D	98.9	Very high	98.5	Very high	11 Å²	11	25.4 Å²	25.4	6%	0.059	11%	0.11	C	C	.	.	H	α-helix	trans	-58.2	-46.8	174.7	-170	80.5	0	0	0	111.5	T70 P71 V72 L73 V267 S268 A273 V274 R275	T70-D271 VanDerWaalsContact CA-OD1 3.24Å; T70-D271 WeakPolarHBondContact CA-OD1 3.29Å; T70-D271 HydrophobicContact CG2-CB 4.33Å; T70-D271 VanDerWaalsContact O-OD1 3.12Å; P71-D271 VanDerWaalsContact CD-OD2 3.31Å; P71-D271 WeakPolarHBondContact CD-OD2 3.29Å; V72-D271 WeakPolarHBondContact CA-OD1 3.39Å; V72-D271 WeakPolarHBondContact CB-OD1 3.3Å; V72-D271 WeakPolarHBondContact CB-OD2 3.31Å; V72-D271 VanDerWaalsContact CG2-OD2 3.29Å; V72-D271 WeakPolarHBondContact CG2-OD2 3.37Å; V72-D271 PolarHBondContact N-OD1 3.35Å; V72-D271 PolarHBondContact N-OD2 3.32Å; L73-D271 HydrophobicContact CG-CB 4.48Å; L73-D271 WeakPolarHBondContact CG-OD1 3.49Å; L73-D271 PolarHBondContact N-OD1 3.28Å; V267-D271 PolarHBondContact O-N 2.95Å; S268-D271 WeakPolarHBondContact O-CB 3.47Å; S268-D271 PolarHBondContact O-N 2.82Å; D271-A273 PolarHBondContact O-N 3.44Å; D271-V274 PolarHBondContact O-N 3.46Å; D271-R275 PolarHBondContact O-N 3.04Å
272	E	98.8	Very high	98.6	Very high	59 Å²	59	29.5 Å²	29.5	28%	0.276	13%	0.125	S	C	.	.	H	α-helix	trans	-62.8	-40.8	172.3	171.5	162.1	145.8	0	0	112.4	S268 V270 V274 R275 N276	S268-E272 PolarHBondContact O-N 2.71Å; V270-E272 PolarHBondContact O-N 3.44Å; E272-V274 VanDerWaalsContact C-N 3.32Å; E272-V274 PolarHBondContact O-N 2.99Å; E272-R275 VanDerWaalsContact O-CB 3.27Å; E272-R275 WeakPolarHBondContact O-CB 3.42Å; E272-R275 PolarHBondContact O-N 2.92Å; E272-R275 IonicContact OE1-NH2 3.9Å; E272-R275 IonicContact OE2-CZ 2.97Å; E272-R275 IonicContact OE2-NH2 2.67Å; E272-R275 PolarHBondContact OE2-NH2 3.34Å; E272-N276 WeakPolarHBondContact CG-ND2 3.27Å; E272-N276 WeakPolarHBondContact O-CB 3.42Å; E272-N276 PolarHBondContact O-N 3.1Å; E272-N276 PolarHBondContact O-ND2 2.82Å; E272-N276 PolarHBondContact OE1-ND2 2.83Å
273	A	98.9	Very high	98.7	Very high	2 Å²	2	31.6 Å²	31.6	2%	0.017	13%	0.134	C	C	.	.	H	α-helix	trans	-58.7	-46.1	177.6	0	0	0	0	0	111.2	T208 T212 F235 I269 V270 D271 R275 N276 I277	T208-A273 HydrophobicContact CG2-CB 4.32Å; T212-A273 HydrophobicContact CG2-CB 4.18Å; T212-A273 WeakPolarHBondContact OG1-CB 3.38Å; F235-A273 HydrophobicContact CE1-CB 4.31Å; F235-A273 HydrophobicContact CE2-CB 4.48Å; F235-A273 HydrophobicContact CZ-CB 3.67Å; I269-A273 VanDerWaalsContact O-CB 3.27Å; I269-A273 WeakPolarHBondContact O-CB 3.49Å; I269-A273 PolarHBondContact O-N 2.88Å; V270-A273 WeakPolarHBondContact O-CB 3.43Å; V270-A273 PolarHBondContact O-N 3.12Å; V270-A273 VanDerWaalsContact O-N 3.14Å; D271-A273 PolarHBondContact O-N 3.44Å; A273-R275 VanDerWaalsContact C-N 3.35Å; A273-R275 PolarHBondContact O-N 2.99Å; A273-N276 PolarHBondContact O-N 3.03Å; A273-I277 WeakPolarHBondContact O-CD1 3.46Å; A273-I277 VanDerWaalsContact O-CG1 3.24Å; A273-I277 WeakPolarHBondContact O-CG1 3.37Å; A273-I277 PolarHBondContact O-N 3.5Å
274	V	98.9	Very high	98.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-66.4	-35.1	176.9	177.7	0	0	0	0	111.6	I51 V72 L73 L76 V270 D271 E272 I277 T278 F294	I51-V274 HydrophobicContact CD1-CG1 4.41Å; I51-V274 HydrophobicContact CD1-CG2 3.9Å; I51-V274 HydrophobicContact CG2-CG2 4.34Å; V72-V274 HydrophobicContact CG1-CG1 4.49Å; L73-V274 HydrophobicContact CD2-CB 3.99Å; L73-V274 HydrophobicContact CD2-CG1 4Å; L73-V274 HydrophobicContact CD2-CG2 3.86Å; L76-V274 HydrophobicContact CD1-CG1 3.43Å; L76-V274 VanDerWaalsContact CD1-CG1 3.43Å; V270-V274 HydrophobicContact CG1-CG2 4.46Å; V270-V274 WeakPolarHBondContact O-CG2 3.27Å; V270-V274 PolarHBondContact O-N 3.04Å; D271-V274 PolarHBondContact O-N 3.46Å; E272-V274 VanDerWaalsContact C-N 3.32Å; E272-V274 PolarHBondContact O-N 2.99Å; V274-I277 PolarHBondContact O-N 3.33Å; V274-T278 HydrophobicContact CG1-CG2 4.26Å; V274-T278 WeakPolarHBondContact O-CB 3.28Å; V274-T278 WeakPolarHBondContact O-CG2 3.43Å; V274-T278 PolarHBondContact O-N 2.98Å; V274-T278 PolarHBondContact O-OG1 2.85Å; V274-F294 HydrophobicContact CG2-CD2 4.32Å; V274-F294 HydrophobicContact CG2-CE2 4.21Å
275	R	98.9	Very high	98.7	Very high	118 Å²	118	37.5 Å²	37.5	45%	0.445	17%	0.173	S	C	.	.	H	α-helix	trans	-57.8	-48.4	169.1	-169.9	-173.5	62.6	161.7	-8.4	111.9	V72 D271 E272 A273 I277 T278 Y279	V72-R275 HydrophobicContact CB-CB 4.4Å; V72-R275 HydrophobicContact CG1-CB 3.98Å; V72-R275 HydrophobicContact CG2-CB 3.84Å; V72-R275 HydrophobicContact CG2-CG 4.02Å; D271-R275 PolarHBondContact O-N 3.04Å; E272-R275 VanDerWaalsContact O-CB 3.27Å; E272-R275 WeakPolarHBondContact O-CB 3.42Å; E272-R275 PolarHBondContact O-N 2.92Å; E272-R275 IonicContact OE1-NH2 3.9Å; E272-R275 IonicContact OE2-CZ 2.97Å; E272-R275 IonicContact OE2-NH2 2.67Å; E272-R275 PolarHBondContact OE2-NH2 3.34Å; A273-R275 VanDerWaalsContact C-N 3.35Å; A273-R275 PolarHBondContact O-N 2.99Å; R275-I277 VanDerWaalsContact C-N 3.31Å; R275-I277 PolarHBondContact O-N 3.25Å; R275-T278 PolarHBondContact O-N 2.8Å; R275-T278 PolarHBondContact O-OG1 2.97Å; R275-Y279 VanDerWaalsContact O-CB 3.28Å; R275-Y279 WeakPolarHBondContact O-CB 3.27Å; R275-Y279 PolarHBondContact O-N 2.8Å
276	N	98.9	Very high	98.7	Very high	34 Å²	34	37.5 Å²	37.5	18%	0.182	17%	0.173	C	C	.	.	H	α-helix	trans	-67.9	-32.1	-176.6	-70.5	-21.5	0	0	0	111.9	T212 E272 A273 A280	T212-N276 HydrophobicContact CG2-CB 3.81Å; E272-N276 WeakPolarHBondContact CG-ND2 3.27Å; E272-N276 WeakPolarHBondContact O-CB 3.42Å; E272-N276 PolarHBondContact O-N 3.1Å; E272-N276 PolarHBondContact O-ND2 2.82Å; E272-N276 PolarHBondContact OE1-ND2 2.83Å; A273-N276 PolarHBondContact O-N 3.03Å; N276-A280 PolarHBondContact O-N 3.13Å
277	I	98.9	Very high	98.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-74.9	-49	174.6	-66.4	160.6	0	0	0	111	I49 T212 V215 L233 A273 V274 R275 Y279 A280 L281	I49-I277 HydrophobicContact CG2-CG2 4.46Å; T212-I277 HydrophobicContact CG2-CG1 4.32Å; V215-I277 HydrophobicContact CB-CG1 4.41Å; V215-I277 HydrophobicContact CG1-CD1 4.19Å; V215-I277 HydrophobicContact CG1-CG1 3.8Å; V215-I277 HydrophobicContact CG1-CG2 4Å; L233-I277 HydrophobicContact CD2-CD1 3.23Å; A273-I277 WeakPolarHBondContact O-CD1 3.46Å; A273-I277 VanDerWaalsContact O-CG1 3.24Å; A273-I277 WeakPolarHBondContact O-CG1 3.37Å; A273-I277 PolarHBondContact O-N 3.5Å; V274-I277 PolarHBondContact O-N 3.33Å; R275-I277 VanDerWaalsContact C-N 3.31Å; R275-I277 PolarHBondContact O-N 3.25Å; I277-Y279 VanDerWaalsContact C-N 3.29Å; I277-Y279 PolarHBondContact O-N 3.26Å; I277-A280 WeakPolarHBondContact O-CA 3.42Å; I277-A280 WeakPolarHBondContact O-CB 3.4Å; I277-A280 PolarHBondContact O-N 3.48Å; I277-L281 HydrophobicContact CG2-CD1 4.29Å; I277-L281 HydrophobicContact CG2-CG 4.46Å; I277-L281 WeakPolarHBondContact O-CG 3.41Å; I277-L281 PolarHBondContact O-N 3.37Å
278	T	98.8	Very high	98.6	Very high	10 Å²	10	45.8 Å²	45.8	6%	0.061	21%	0.21	C	C	.	.	H	α-helix	trans	-65	-32.4	178.9	51.1	0	0	0	0	112.7	L76 V274 R275 R282 L292	L76-T278 HydrophobicContact CD1-CG2 3.94Å; L76-T278 HydrophobicContact CD2-CG2 4.15Å; V274-T278 HydrophobicContact CG1-CG2 4.26Å; V274-T278 WeakPolarHBondContact O-CB 3.28Å; V274-T278 WeakPolarHBondContact O-CG2 3.43Å; V274-T278 PolarHBondContact O-N 2.98Å; V274-T278 PolarHBondContact O-OG1 2.85Å; R275-T278 PolarHBondContact O-N 2.8Å; R275-T278 PolarHBondContact O-OG1 2.97Å; T278-R282 WeakPolarHBondContact O-CG 3.33Å; T278-R282 PolarHBondContact O-N 3.43Å; T278-L292 HydrophobicContact CG2-CD1 3.69Å
279	Y	98.8	Very high	98.6	Very high	138 Å²	138	46.6 Å²	46.6	54%	0.541	21%	0.213	S	C	.	.	H	α-helix	trans	-62	-45.2	166.9	175.8	-95.3	0	0	0	112.1	R275 I277 R282 K283	R275-Y279 VanDerWaalsContact O-CB 3.28Å; R275-Y279 WeakPolarHBondContact O-CB 3.27Å; R275-Y279 PolarHBondContact O-N 2.8Å; I277-Y279 VanDerWaalsContact C-N 3.29Å; I277-Y279 PolarHBondContact O-N 3.26Å; Y279-R282 PolarHBondContact O-N 3.42Å; Y279-K283 HydrophobicContact CE1-CB 4.37Å; Y279-K283 HydrophobicContact CE1-CD 4.08Å; Y279-K283 WeakPolarHBondContact O-CB 3.31Å; Y279-K283 PolarHBondContact O-N 2.95Å
280	A	98.8	Very high	98.6	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.008	21%	0.214	C	C	.	.	H	α-helix	trans	-64.9	-40.7	178	0	0	0	0	0	112.7	R216 L219 N276 I277 R282 K283 Y284	R216-A280 HydrophobicContact CG-CB 4.02Å; L219-A280 HydrophobicContact CD1-CB 3.98Å; N276-A280 PolarHBondContact O-N 3.13Å; I277-A280 WeakPolarHBondContact O-CA 3.42Å; I277-A280 WeakPolarHBondContact O-CB 3.4Å; I277-A280 PolarHBondContact O-N 3.48Å; A280-R282 VanDerWaalsContact C-N 3.25Å; A280-R282 PolarHBondContact O-N 3.22Å; A280-K283 PolarHBondContact O-N 3Å; A280-Y284 HydrophobicContact CB-CD2 4.24Å; A280-Y284 HydrophobicContact CB-CE2 4.24Å; A280-Y284 VanDerWaalsContact O-CD2 3.3Å; A280-Y284 WeakPolarHBondContact O-CD2 3.22Å; A280-Y284 PolarHBondContact O-N 2.87Å
281	L	98.8	Very high	98.6	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-57.9	-37.9	173.7	-68.5	171	0	0	0	111.9	I49 L219 I277 G285 Y286 Y287	I49-L281 HydrophobicContact CD1-CD2 4.04Å; I49-L281 HydrophobicContact CG1-CD1 4.11Å; I49-L281 HydrophobicContact CG1-CD2 4.04Å; L219-L281 HydrophobicContact CD1-CD2 3.69Å; L219-L281 HydrophobicContact CD1-CG 4Å; L219-L281 HydrophobicContact CD2-CD2 3.71Å; L219-L281 HydrophobicContact CG-CD2 4.37Å; I277-L281 HydrophobicContact CG2-CD1 4.29Å; I277-L281 HydrophobicContact CG2-CG 4.46Å; I277-L281 WeakPolarHBondContact O-CG 3.41Å; I277-L281 PolarHBondContact O-N 3.37Å; L281-G285 CarbonylContact O-C 3.5Å; L281-G285 PolarHBondContact O-N 3.33Å; L281-Y286 HydrophobicContact CD2-CG 4.12Å; L281-Y286 PolarHBondContact O-N 2.88Å; L281-Y287 HydrophobicContact CB-CD2 4.33Å; L281-Y287 PolarHBondContact O-N 2.92Å
282	R	98.6	Very high	98.6	Very high	144 Å²	144	46.4 Å²	46.4	54%	0.543	21%	0.212	S	C	.	.	H	α-helix	trans	-73.2	-47	175.3	-69.8	173.9	-176.1	172.6	3.1	111.8	T278 Y279 A280 Y284 G285 Y287	T278-R282 WeakPolarHBondContact O-CG 3.33Å; T278-R282 PolarHBondContact O-N 3.43Å; Y279-R282 PolarHBondContact O-N 3.42Å; A280-R282 VanDerWaalsContact C-N 3.25Å; A280-R282 PolarHBondContact O-N 3.22Å; R282-Y284 VanDerWaalsContact C-N 3.28Å; R282-Y284 PolarHBondContact O-N 2.89Å; R282-G285 PolarHBondContact O-N 2.53Å; R282-Y287 HydrophobicContact CG-CD1 4.06Å; R282-Y287 HydrophobicContact CG-CD2 3.59Å; R282-Y287 HydrophobicContact CG-CE2 4.15Å; R282-Y287 HydrophobicContact CG-CG 3.52Å; R282-Y287 PolarHBondContact NH2-OH 3.17Å
283	K	98.6	Very high	98.6	Very high	124 Å²	124	43.6 Å²	43.6	54%	0.539	20%	0.199	S	C	.	.	H	α-helix	trans	-58.9	-38.8	-178.3	-175.6	-175.5	173.7	-163.7	0	112.4	Y279 A280	Y279-K283 HydrophobicContact CE1-CB 4.37Å; Y279-K283 HydrophobicContact CE1-CD 4.08Å; Y279-K283 WeakPolarHBondContact O-CB 3.31Å; Y279-K283 PolarHBondContact O-N 2.95Å; A280-K283 PolarHBondContact O-N 3Å
284	Y	98.4	Very high	98.6	Very high	75 Å²	75	43.5 Å²	43.5	29%	0.294	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	21.5	-176.1	-52.9	-54.9	0	0	0	113.3	L219 A220 P224 A280 R282 Y286	L219-Y284 HydrophobicContact CB-CD2 4.11Å; L219-Y284 WeakPolarHBondContact O-CB 3.22Å; L219-Y284 WeakPolarHBondContact O-CD2 3.47Å; A220-Y284 HydrophobicContact CB-CD2 4.27Å; A220-Y284 HydrophobicContact CB-CE1 4.29Å; A220-Y284 HydrophobicContact CB-CE2 3.6Å; P224-Y284 WeakPolarHBondContact CG-O 3.48Å; A280-Y284 HydrophobicContact CB-CD2 4.24Å; A280-Y284 HydrophobicContact CB-CE2 4.24Å; A280-Y284 VanDerWaalsContact O-CD2 3.3Å; A280-Y284 WeakPolarHBondContact O-CD2 3.22Å; A280-Y284 PolarHBondContact O-N 2.87Å; R282-Y284 VanDerWaalsContact C-N 3.28Å; R282-Y284 PolarHBondContact O-N 2.89Å; Y284-Y286 VanDerWaalsContact C-N 3.33Å; Y284-Y286 WeakPolarHBondContact O-CD2 3.43Å; Y284-Y286 VanDerWaalsContact O-CE2 3.29Å; Y284-Y286 WeakPolarHBondContact O-CE2 3.24Å; Y284-Y286 PolarHBondContact O-N 3.26Å
285	G	97.6	Very high	98.6	Very high	50 Å²	50	43.5 Å²	43.5	52%	0.515	20%	0.198	S	C	.	.	S	Bend	trans	83.7	-20.7	168.8	0	0	0	0	0	117.6	L281 R282 Y287	L281-G285 CarbonylContact O-C 3.5Å; L281-G285 PolarHBondContact O-N 3.33Å; R282-G285 PolarHBondContact O-N 2.53Å; G285-Y287 VanDerWaalsContact C-N 3.28Å; G285-Y287 PolarHBondContact O-N 2.74Å; G285-Y287 VanDerWaalsContact O-N 3.16Å
286	Y	98.4	Very high	98.6	Very high	1 Å²	1	38 Å²	38	0%	0.004	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-54.7	-33.8	-178.1	-64.1	-94.4	0	0	0	115.7	H47 L219 H222 P224 L281 Y284 Q288 N289 S290	H47-Y286 HydrophobicContact CB-CD1 4.45Å; H47-Y286 AromaticContact CD2-CD1 3.68Å; H47-Y286 AromaticContact CE1-CD1 3.72Å; H47-Y286 AromaticContact CE1-CE1 3.87Å; H47-Y286 AromaticContact CG-CD1 3.73Å; H47-Y286 AromaticContact ND1-CD1 3.74Å; H47-Y286 AromaticContact ND1-CE1 3.96Å; H47-Y286 AromaticContact NE2-CD1 3.66Å; L219-Y286 HydrophobicContact CB-CE2 4.28Å; L219-Y286 HydrophobicContact CD2-CD1 4.05Å; L219-Y286 HydrophobicContact CD2-CD2 4.06Å; L219-Y286 HydrophobicContact CD2-CE1 4.06Å; L219-Y286 HydrophobicContact CD2-CE2 4.11Å; L219-Y286 HydrophobicContact CD2-CG 4.06Å; L219-Y286 VanDerWaalsContact O-CE2 3.24Å; L219-Y286 WeakPolarHBondContact O-CE2 3.24Å; H222-Y286 VanDerWaalsContact CB-OH 3.27Å; H222-Y286 WeakPolarHBondContact CB-OH 3.33Å; H222-Y286 PolarHBondContact CD2-OH 3.16Å; H222-Y286 VanDerWaalsContact CD2-OH 3.28Å; H222-Y286 PolarHBondContact O-OH 3.25Å; P224-Y286 HydrophobicContact CB-CD1 3.87Å; P224-Y286 HydrophobicContact CB-CD2 4.25Å; P224-Y286 HydrophobicContact CB-CE1 3.76Å; P224-Y286 HydrophobicContact CB-CE2 4.1Å; P224-Y286 HydrophobicContact CB-CG 4.1Å; P224-Y286 HydrophobicContact CG-CE2 4.3Å; L281-Y286 HydrophobicContact CD2-CG 4.12Å; L281-Y286 PolarHBondContact O-N 2.88Å; Y284-Y286 VanDerWaalsContact C-N 3.33Å; Y284-Y286 WeakPolarHBondContact O-CD2 3.43Å; Y284-Y286 VanDerWaalsContact O-CE2 3.29Å; Y284-Y286 WeakPolarHBondContact O-CE2 3.24Å; Y284-Y286 PolarHBondContact O-N 3.26Å; Y286-Q288 VanDerWaalsContact C-N 3.29Å; Y286-Q288 PolarHBondContact O-N 3.19Å; Y286-Q288 VanDerWaalsContact O-N 3.11Å; Y286-N289 CarbonylContact O-C 3.5Å; Y286-N289 PolarHBondContact O-N 3.46Å; Y286-N289 VanDerWaalsContact O-N 3.14Å; Y286-S290 PolarHBondContact O-N 3.22Å; Y286-S290 PolarHBondContact O-OG 2.86Å
287	Y	98.4	Very high	98.6	Very high	38 Å²	38	36.3 Å²	36.3	15%	0.149	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-56.2	-37.2	-161.2	-175.8	-95.6	0	0	0	114.6	L281 R282 G285 N289 S290 H330 P332	L281-Y287 HydrophobicContact CB-CD2 4.33Å; L281-Y287 PolarHBondContact O-N 2.92Å; R282-Y287 HydrophobicContact CG-CD1 4.06Å; R282-Y287 HydrophobicContact CG-CD2 3.59Å; R282-Y287 HydrophobicContact CG-CE2 4.15Å; R282-Y287 HydrophobicContact CG-CG 3.52Å; R282-Y287 PolarHBondContact NH2-OH 3.17Å; G285-Y287 VanDerWaalsContact C-N 3.28Å; G285-Y287 PolarHBondContact O-N 2.74Å; G285-Y287 VanDerWaalsContact O-N 3.16Å; Y287-N289 PolarHBondContact O-N 3.24Å; Y287-S290 PolarHBondContact O-N 2.86Å; Y287-H330 AromaticContact CZ-NE2 3.74Å; Y287-H330 PolarHBondContact OH-NE2 3.33Å; Y287-P332 HydrophobicContact CD1-CG 4.05Å; Y287-P332 HydrophobicContact CE1-CG 3.88Å; Y287-P332 WeakPolarHBondContact O-CD 3.47Å; Y287-P332 WeakPolarHBondContact O-CG 3.42Å
288	Q	97.9	Very high	98.6	Very high	136 Å²	136	36.3 Å²	36.3	64%	0.636	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-69.6	-32.4	-176.5	-61.9	-63.4	2.1	0	0	113.1	Y286	Y286-Q288 VanDerWaalsContact C-N 3.29Å; Y286-Q288 PolarHBondContact O-N 3.19Å; Y286-Q288 VanDerWaalsContact O-N 3.11Å
289	N	98.2	Very high	98.6	Very high	35 Å²	35	36 Å²	36	19%	0.187	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-108.7	33.4	177.2	-159.5	28.7	0	0	0	112.3	Q44 P45 P46 H47 Y286 Y287	Q44-N289 PolarHBondContact O-ND2 3.44Å; P45-N289 PolarHBondContact O-ND2 2.76Å; P46-N289 CarbonylContact C-O 3.45Å; P46-N289 VanDerWaalsContact CA-O 3.26Å; P46-N289 WeakPolarHBondContact CA-O 3.42Å; P46-N289 WeakPolarHBondContact CB-O 3.48Å; H47-N289 PolarHBondContact CD2-O 3.01Å; H47-N289 PolarHBondContact N-O 3.07Å; Y286-N289 CarbonylContact O-C 3.5Å; Y286-N289 PolarHBondContact O-N 3.46Å; Y286-N289 VanDerWaalsContact O-N 3.14Å; Y287-N289 PolarHBondContact O-N 3.24Å
290	S	98.6	Very high	98.5	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.021	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.4	179.4	-69.1	0	0	0	0	112.5	H47 Y286 Y287 S331	H47-S290 CarbonylContact O-C 3.6Å; H47-S290 WeakPolarHBondContact O-CA 3.27Å; Y286-S290 PolarHBondContact O-N 3.22Å; Y286-S290 PolarHBondContact O-OG 2.86Å; Y287-S290 PolarHBondContact O-N 2.86Å; S290-S331 VanDerWaalsContact O-CB 3.28Å; S290-S331 WeakPolarHBondContact O-CB 3.46Å; S290-S331 PolarHBondContact O-OG 2.92Å
291	V	98.9	Very high	98.3	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	112.7	162.5	-174.3	0	0	0	0	108.7	P46 H47 I49 I293 V329 L333 L357 W374	P46-V291 HydrophobicContact CB-CG2 4.1Å; P46-V291 HydrophobicContact CG-CG2 4.22Å; H47-V291 PolarHBondContact O-N 3.07Å; I49-V291 PolarHBondContact N-O 3.21Å; V291-I293 HydrophobicContact CG1-CD1 3.81Å; V291-I293 HydrophobicContact CG1-CG1 4.35Å; V291-V329 HydrophobicContact CG1-CG1 3.98Å; V291-L333 HydrophobicContact CG2-CD1 4.12Å; V291-L357 HydrophobicContact CG2-CD1 4.4Å; V291-W374 HydrophobicContact CG1-CH2 4.17Å; V291-W374 HydrophobicContact CG1-CZ3 3.97Å; V291-W374 HydrophobicContact CG2-CH2 4.08Å
292	L	98.9	Very high	98	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.4	173	-173.9	154.1	0	0	0	109.3	I49 I51 T278 F294 F328 V329 H330	I49-L292 WeakPolarHBondContact O-CA 3.39Å; I51-L292 HydrophobicContact CD1-CD1 4.09Å; I51-L292 HydrophobicContact CD1-CD2 4.48Å; I51-L292 HydrophobicContact CD1-CG 4.27Å; T278-L292 HydrophobicContact CG2-CD1 3.69Å; L292-F294 HydrophobicContact CD2-CB 4.39Å; L292-F328 HydrophobicContact CD2-CE2 4.13Å; L292-V329 WeakPolarHBondContact O-CA 3.23Å; L292-H330 HydrophobicContact CB-CB 4.48Å; L292-H330 WeakPolarHBondContact CB-O 3.31Å; L292-H330 HydrophobicContact CD2-CB 4.43Å; L292-H330 PolarHBondContact N-O 3.46Å; L292-H330 PolarHBondContact O-N 3.39Å
293	I	98.9	Very high	97.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131.1	172.5	-55.2	89.7	0	0	0	107.1	I48 I49 F50 I51 V291 V329 W350 L354	I48-I293 HydrophobicContact CG2-CD1 4.2Å; I49-I293 PolarHBondContact O-N 2.81Å; F50-I293 HydrophobicContact CD2-CB 3.88Å; F50-I293 HydrophobicContact CD2-CD1 4.16Å; F50-I293 HydrophobicContact CD2-CG1 4.25Å; F50-I293 HydrophobicContact CD2-CG2 4.09Å; F50-I293 HydrophobicContact CE2-CB 4.1Å; F50-I293 HydrophobicContact CE2-CG2 3.77Å; F50-I293 HydrophobicContact CG-CB 4.43Å; F50-I293 HydrophobicContact CZ-CG2 4.21Å; I51-I293 PolarHBondContact N-O 3.07Å; V291-I293 HydrophobicContact CG1-CD1 3.81Å; V291-I293 HydrophobicContact CG1-CG1 4.35Å; I293-V329 HydrophobicContact CG1-CG2 4.33Å; I293-W350 HydrophobicContact CG1-CE3 4.39Å; I293-W350 HydrophobicContact CG1-CH2 4.25Å; I293-W350 HydrophobicContact CG1-CZ3 3.98Å; I293-W350 HydrophobicContact CG2-CH2 3.77Å; I293-W350 HydrophobicContact CG2-CZ2 3.65Å; I293-W350 HydrophobicContact CG2-CZ3 4.22Å; I293-L354 HydrophobicContact CD1-CD2 4.06Å
294	F	98.9	Very high	97.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133.3	171.1	-174.8	-88	0	0	0	109.2	I51 T53 L73 V270 V274 L292 L326 G327 F328	I51-F294 HydrophobicContact CB-CD2 4.01Å; I51-F294 HydrophobicContact CG2-CD2 3.75Å; I51-F294 HydrophobicContact CG2-CE2 3.96Å; I51-F294 CarbonylContact O-C 3.56Å; I51-F294 WeakPolarHBondContact O-CA 3.45Å; T53-F294 HydrophobicContact CG2-CE2 4.1Å; T53-F294 HydrophobicContact CG2-CZ 3.79Å; L73-F294 HydrophobicContact CD1-CE1 4.15Å; L73-F294 HydrophobicContact CD1-CE2 4.15Å; L73-F294 HydrophobicContact CD1-CZ 3.71Å; L73-F294 HydrophobicContact CD2-CD2 3.73Å; L73-F294 HydrophobicContact CD2-CE1 4.39Å; L73-F294 HydrophobicContact CD2-CE2 3.57Å; L73-F294 HydrophobicContact CD2-CG 4.22Å; L73-F294 HydrophobicContact CD2-CZ 3.93Å; L73-F294 HydrophobicContact CG-CZ 4.49Å; V270-F294 HydrophobicContact CG1-CE2 4Å; V270-F294 HydrophobicContact CG1-CZ 4.25Å; V274-F294 HydrophobicContact CG2-CD2 4.32Å; V274-F294 HydrophobicContact CG2-CE2 4.21Å; L292-F294 HydrophobicContact CD2-CB 4.39Å; F294-L326 HydrophobicContact CE1-CD2 4.14Å; F294-G327 CarbonylContact O-C 3.58Å; F294-G327 WeakPolarHBondContact O-CA 3.31Å; F294-F328 HydrophobicContact CB-CD1 3.97Å; F294-F328 HydrophobicContact CB-CD2 4.2Å; F294-F328 HydrophobicContact CB-CE1 3.54Å; F294-F328 HydrophobicContact CB-CE2 3.77Å; F294-F328 HydrophobicContact CB-CG 4.29Å; F294-F328 HydrophobicContact CB-CZ 3.43Å; F294-F328 VanDerWaalsContact CB-CZ 3.43Å; F294-F328 HydrophobicContact CD1-CD1 4.02Å; F294-F328 AromaticContact CD1-CE1 3.52Å; F294-F328 HydrophobicContact CD1-CE1 3.52Å; F294-F328 HydrophobicContact CD1-CZ 4.17Å; F294-F328 HydrophobicContact CD2-CZ 4.48Å; F294-F328 HydrophobicContact CE1-CE1 4.4Å; F294-F328 HydrophobicContact CG-CD1 4.32Å; F294-F328 AromaticContact CG-CE1 3.63Å; F294-F328 HydrophobicContact CG-CE1 3.63Å; F294-F328 AromaticContact CG-CZ 3.79Å; F294-F328 HydrophobicContact CG-CZ 3.79Å; F294-F328 PolarHBondContact N-O 2.88Å; F294-F328 PolarHBondContact O-N 3.24Å
295	T	98.9	Very high	96.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	159.3	-179.9	-173.7	0	0	0	0	111.8	F50 I51 M52 T53 Y86 L326	F50-T295 HydrophobicContact CE1-CG2 3.46Å; F50-T295 VanDerWaalsContact CE1-CG2 3.46Å; F50-T295 HydrophobicContact CZ-CG2 3.72Å; I51-T295 PolarHBondContact O-N 3.19Å; M52-T295 CarbonylContact C-O 3.31Å; M52-T295 VanDerWaalsContact CA-O 3.27Å; M52-T295 WeakPolarHBondContact CA-O 3.48Å; M52-T295 HydrophobicContact CB-CG2 4.17Å; M52-T295 HydrophobicContact CE-CG2 4.08Å; M52-T295 HydrophobicContact CG-CG2 4.39Å; T53-T295 PolarHBondContact N-O 2.89Å; T53-T295 PolarHBondContact OG1-O 3.48Å; Y86-T295 WeakPolarHBondContact CE1-OG1 3.31Å; Y86-T295 PolarHBondContact OH-OG1 3.19Å; T295-L326 VanDerWaalsContact CA-O 3.3Å; T295-L326 WeakPolarHBondContact CA-O 3.5Å; T295-L326 PolarHBondContact OG1-O 2.97Å
296	T	98.9	Very high	96.8	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	162.4	157.2	-169.2	0	0	0	0	110.6	T53 Q56 N298 L326	T53-T296 CarbonylContact O-C 3.59Å; Q56-T296 PolarHBondContact N-OG1 3.36Å; Q56-T296 VanDerWaalsContact O-CB 3.31Å; Q56-T296 WeakPolarHBondContact O-CB 3.24Å; Q56-T296 PolarHBondContact O-OG1 3.42Å; T296-N298 WeakPolarHBondContact CG2-O 3.4Å; T296-N298 PolarHBondContact OG1-O 2.99Å; T296-L326 HydrophobicContact CG2-CB 4.06Å; T296-L326 PolarHBondContact N-O 2.79Å; T296-L326 VanDerWaalsContact N-O 3.12Å
297	D	98.6	Very high	96.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-86.5	-30.2	168.2	76.6	-19.3	0	0	0	113.3	M52 T53 D54 D55 V88 C92 S95 R96	M52-D297 HydrophobicContact CE-CB 3.98Å; M52-D297 HydrophobicContact CG-CB 3.98Å; M52-D297 HydrophobicContact SD-CB 3.69Å; T53-D297 PolarHBondContact O-N 2.92Å; D54-D297 WeakPolarHBondContact CA-OD1 3.4Å; D55-D297 PolarHBondContact N-OD1 3.47Å; V88-D297 WeakPolarHBondContact CB-O 3.37Å; V88-D297 WeakPolarHBondContact CG2-O 3.28Å; C92-D297 VanDerWaalsContact CA-OD2 3.26Å; C92-D297 WeakPolarHBondContact CA-OD2 3.4Å; C92-D297 WeakPolarHBondContact CB-OD2 3.47Å; S95-D297 WeakPolarHBondContact CB-O 3.11Å; S95-D297 PolarHBondContact OG-O 3.38Å; R96-D297 IonicContact CZ-OD2 3.95Å; R96-D297 IonicContact NE-OD2 2.83Å; R96-D297 PolarHBondContact NE-OD2 3.14Å; R96-D297 IonicContact NH2-OD2 3.82Å; R96-D297 PolarHBondContact NH2-OD2 2.8Å
298	N	98.8	Very high	96.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-151.7	169	172.6	50.8	-127.9	0	0	0	111.6	D55 Q89 P90 I91 C92 T296	D55-N298 PolarHBondContact OD1-ND2 2.82Å; Q89-N298 VanDerWaalsContact O-CB 3.29Å; Q89-N298 WeakPolarHBondContact O-CB 3.32Å; P90-N298 VanDerWaalsContact C-CB 3.43Å; P90-N298 WeakPolarHBondContact O-CB 3.39Å; I91-N298 VanDerWaalsContact C-OD1 3.3Å; I91-N298 WeakPolarHBondContact CA-OD1 3.47Å; C92-N298 PolarHBondContact N-OD1 3.42Å; C92-N298 VanDerWaalsContact N-OD1 3.16Å; C92-N298 PolarHBondContact SG-OD1 3.32Å; T296-N298 WeakPolarHBondContact CG2-O 3.4Å; T296-N298 PolarHBondContact OG1-O 2.99Å
299	G	98.3	Very high	96.5	Very high	2 Å²	2	13.9 Å²	13.9	2%	0.021	7%	0.069	C	C	.	.			trans	-55.7	156.8	168.6	0	0	0	0	0	112.6	K315 G321 G322	G299-K315 WeakPolarHBondContact O-CB 3.22Å; G299-G321 WeakPolarHBondContact CA-O 3.42Å; G299-G322 PolarHBondContact N-O 2.73Å
300	G	97.1	Very high	96.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.07	C	C	.	.			trans	-72	165	-172.8	0	0	0	0	0	113.7	D55 P302 N308 K315	D55-G300 WeakPolarHBondContact O-CA 3.46Å; G300-P302 WeakPolarHBondContact O-CD 3.5Å; G300-N308 PolarHBondContact N-ND2 3Å; G300-N308 PolarHBondContact N-OD1 2.99Å; G300-N308 PolarHBondContact O-ND2 3Å; G300-K315 PolarHBondContact O-N 3.22Å
301	Q	94.8	Very high	96.3	Very high	28 Å²	28	13.9 Å²	13.9	13%	0.131	7%	0.07	C	C	.	.			trans	-109.4	104.2	177.1	179.8	57.3	-99	0	0	111.4	L303 S304 G305 G306 K315	Q301-L303 VanDerWaalsContact C-N 3.34Å; Q301-L303 HydrophobicContact CG-CB 4.43Å; Q301-L303 PolarHBondContact O-N 3.2Å; Q301-S304 WeakPolarHBondContact CG-OG 3.39Å; Q301-S304 CarbonylContact O-C 3.48Å; Q301-S304 WeakPolarHBondContact O-CA 3.3Å; Q301-S304 PolarHBondContact O-N 2.98Å; Q301-G305 PolarHBondContact O-N 2.86Å; Q301-G306 PolarHBondContact O-N 3.28Å; Q301-K315 HydrophobicContact CB-CB 4.39Å; Q301-K315 HydrophobicContact CB-CD 4.45Å
302	P	91.9	Very high	96.1	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.006	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-65.1	-29.4	-177.3	-26.1	36.6	0	0	0	115.9	G300 S304 G305 G306 R314 I437 F445 W450	G300-P302 WeakPolarHBondContact O-CD 3.5Å; P302-S304 PolarHBondContact O-N 2.76Å; P302-S304 VanDerWaalsContact O-N 3.13Å; P302-G305 PolarHBondContact O-N 3.48Å; P302-G305 VanDerWaalsContact O-N 3.11Å; P302-G306 WeakPolarHBondContact CA-O 3.48Å; P302-R314 HydrophobicContact CG-CB 4.26Å; P302-I437 HydrophobicContact CB-CD1 4.2Å; P302-I437 HydrophobicContact CB-CG2 3.59Å; P302-I437 HydrophobicContact CG-CB 4.26Å; P302-I437 HydrophobicContact CG-CD1 3.87Å; P302-I437 HydrophobicContact CG-CG2 3.77Å; P302-F445 HydrophobicContact CB-CE2 4.16Å; P302-F445 HydrophobicContact CB-CZ 3.77Å; P302-F445 WeakPolarHBondContact O-CE2 3.43Å; P302-W450 HydrophobicContact CB-CH2 4.4Å; P302-W450 HydrophobicContact CB-CZ2 4.5Å
303	L	86.8	Confident	95.9	Very high	103 Å²	103	13.9 Å²	13.9	54%	0.539	7%	0.071	S	C	.	.	G	3₁₀ helix	trans	-63.6	-15.7	170.5	-65.7	175.6	0	0	0	113.1	Q301 W450	Q301-L303 VanDerWaalsContact C-N 3.34Å; Q301-L303 HydrophobicContact CG-CB 4.43Å; Q301-L303 PolarHBondContact O-N 3.2Å; L303-W450 HydrophobicContact CD1-CH2 4.13Å; L303-W450 HydrophobicContact CD1-CZ3 4.27Å; L303-W450 HydrophobicContact CD2-CH2 3.59Å; L303-W450 HydrophobicContact CD2-CZ2 3.33Å; L303-W450 HydrophobicContact CD2-CZ3 4.25Å; L303-W450 HydrophobicContact CG-CH2 3.46Å; L303-W450 VanDerWaalsContact CG-CH2 3.46Å; L303-W450 HydrophobicContact CG-CZ2 3.75Å; L303-W450 HydrophobicContact CG-CZ3 4.1Å
304	S	92.1	Very high	95.7	Very high	20 Å²	20	15.1 Å²	15.1	14%	0.14	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-116.2	18.5	179.4	-51.2	0	0	0	0	111.6	T240 L242 Y263 Q301 P302	T240-S304 VanDerWaalsContact CG2-CB 3.48Å; T240-S304 WeakPolarHBondContact CG2-OG 3.3Å; L242-S304 WeakPolarHBondContact CD1-O 3.37Å; L242-S304 WeakPolarHBondContact CD2-O 3.39Å; Y263-S304 VanDerWaalsContact CD2-O 3.24Å; Y263-S304 WeakPolarHBondContact CD2-O 3.39Å; Q301-S304 WeakPolarHBondContact CG-OG 3.39Å; Q301-S304 CarbonylContact O-C 3.48Å; Q301-S304 WeakPolarHBondContact O-CA 3.3Å; Q301-S304 PolarHBondContact O-N 2.98Å; P302-S304 PolarHBondContact O-N 2.76Å; P302-S304 VanDerWaalsContact O-N 3.13Å
305	G	94	Very high	95.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	3.5	174.2	0	0	0	0	0	115.9	R260 Y263 Q301 P302	R260-G305 WeakPolarHBondContact CD-O 3.22Å; R260-G305 PolarHBondContact NH1-O 2.91Å; Y263-G305 VanDerWaalsContact CD1-O 3.27Å; Y263-G305 WeakPolarHBondContact CD1-O 3.48Å; Q301-G305 PolarHBondContact O-N 2.86Å; P302-G305 PolarHBondContact O-N 3.48Å; P302-G305 VanDerWaalsContact O-N 3.11Å
306	G	95.9	Very high	95.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.099	C	C	.	.			trans	-78	158.5	171.3	0	0	0	0	0	113.3	D60 Y263 Q301 P302	D60-G306 VanDerWaalsContact OD2-CA 3.3Å; D60-G306 WeakPolarHBondContact OD2-CA 3.34Å; Y263-G306 VanDerWaalsContact CZ-CA 3.46Å; Q301-G306 PolarHBondContact O-N 3.28Å; P302-G306 WeakPolarHBondContact CA-O 3.48Å
307	S	96.3	Very high	95.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.1	C	C	.	.			trans	-133.6	133.1	179	-175.8	0	0	0	0	111.2	G57 F58 N59 D60 W309	G57-S307 CarbonylContact C-O 3.6Å; G57-S307 VanDerWaalsContact CA-O 3.28Å; G57-S307 WeakPolarHBondContact CA-O 3.28Å; F58-S307 PolarHBondContact N-O 2.71Å; F58-S307 VanDerWaalsContact N-O 3.15Å; N59-S307 WeakPolarHBondContact CB-O 3.27Å; N59-S307 WeakPolarHBondContact CB-OG 3.42Å; N59-S307 PolarHBondContact N-O 3.32Å; N59-S307 WeakPolarHBondContact OD1-CB 3.38Å; N59-S307 PolarHBondContact OD1-OG 2.78Å; D60-S307 VanDerWaalsContact OD1-CB 3.3Å; D60-S307 WeakPolarHBondContact OD1-CB 3.44Å; D60-S307 PolarHBondContact OD1-N 3.28Å; D60-S307 VanDerWaalsContact OD1-N 3.14Å; D60-S307 PolarHBondContact OD2-N 3.21Å; S307-W309 PolarHBondContact OG-N 3.37Å
308	N	97.1	Very high	95.2	Very high	5 Å²	5	18.8 Å²	18.8	3%	0.027	10%	0.101	C	C	.	.			trans	-112	6.5	173.7	-56.7	-55.8	0	0	0	112.6	G57 F58 G300 L311 G321	G57-N308 VanDerWaalsContact CA-OD1 3.24Å; G57-N308 WeakPolarHBondContact CA-OD1 3.35Å; F58-N308 HydrophobicContact CB-CB 4.49Å; F58-N308 PolarHBondContact N-OD1 3.36Å; F58-N308 VanDerWaalsContact N-OD1 3.15Å; G300-N308 PolarHBondContact N-ND2 3Å; G300-N308 PolarHBondContact N-OD1 2.99Å; G300-N308 PolarHBondContact O-ND2 3Å; N308-L311 WeakPolarHBondContact O-CA 3.42Å; N308-L311 WeakPolarHBondContact O-CB 3.18Å; N308-L311 WeakPolarHBondContact O-CG 3.38Å; N308-L311 PolarHBondContact O-N 2.86Å; N308-G321 PolarHBondContact ND2-O 2.65Å; N308-G321 VanDerWaalsContact ND2-O 3.08Å; N308-G321 PolarHBondContact OD1-O 3.06Å
309	W	95	Very high	95.1	Very high	89 Å²	89	18.9 Å²	18.9	34%	0.337	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	141.6	-174.4	-176.9	-97.1	0	0	0	112.6	N59 S307 W436 P438 P439	N59-W309 HydrophobicContact CB-CB 4.46Å; N59-W309 VanDerWaalsContact CB-O 3.27Å; N59-W309 WeakPolarHBondContact CB-O 3.4Å; S307-W309 PolarHBondContact OG-N 3.37Å; W309-W436 HydrophobicContact CZ3-CB 3.94Å; W309-P438 VanDerWaalsContact CE3-CA 3.48Å; W309-P438 HydrophobicContact CE3-CB 4.16Å; W309-P438 HydrophobicContact CZ3-CB 4.16Å; W309-P439 HydrophobicContact CB-CG 4Å; W309-P439 HydrophobicContact CG-CG 4.12Å
310	P	95.1	Very high	95.1	Very high	34 Å²	34	18.8 Å²	18.8	22%	0.221	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88.2	14.7	-1.7	36.4	-37.7	0	0	0	114.4	Y472	P310-Y472 HydrophobicContact CB-CD1 4.36Å; P310-Y472 HydrophobicContact CB-CE1 4.28Å; P310-Y472 HydrophobicContact CB-CE2 4.47Å; P310-Y472 HydrophobicContact CG-CD1 3.96Å; P310-Y472 HydrophobicContact CG-CE1 3.43Å; P310-Y472 VanDerWaalsContact CG-CE1 3.43Å; P310-Y472 HydrophobicContact CG-CE2 4.07Å; P310-Y472 VanDerWaalsContact CG-CZ 3.47Å
311	L	97.1	Very high	95.2	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.016	10%	0.101	C	C	.	.	S	Bend	trans	-66.1	158.9	175.6	-48.4	-177.8	0	0	0	111.4	F58 N308 E320 R324 Y472	F58-L311 HydrophobicContact CB-CD1 3.72Å; F58-L311 HydrophobicContact CB-CG 4.44Å; F58-L311 HydrophobicContact CD1-CD1 3.76Å; F58-L311 HydrophobicContact CD1-CG 3.93Å; F58-L311 HydrophobicContact CD2-CD1 3.75Å; F58-L311 HydrophobicContact CE1-CD1 4.32Å; F58-L311 HydrophobicContact CE1-CG 4.4Å; F58-L311 HydrophobicContact CE2-CD1 4.31Å; F58-L311 HydrophobicContact CG-CD1 3.45Å; F58-L311 VanDerWaalsContact CG-CD1 3.45Å; F58-L311 HydrophobicContact CG-CG 4.13Å; N308-L311 WeakPolarHBondContact O-CA 3.42Å; N308-L311 WeakPolarHBondContact O-CB 3.18Å; N308-L311 WeakPolarHBondContact O-CG 3.38Å; N308-L311 PolarHBondContact O-N 2.86Å; L311-E320 HydrophobicContact CB-CB 4.14Å; L311-E320 HydrophobicContact CD1-CB 4.35Å; L311-E320 HydrophobicContact CD2-CB 4.29Å; L311-R324 HydrophobicContact CD1-CB 3.99Å; L311-R324 HydrophobicContact CD1-CG 4.37Å; L311-Y472 HydrophobicContact CD2-CD1 3.95Å; L311-Y472 HydrophobicContact CD2-CE1 4.14Å
312	R	95.1	Very high	95.4	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.008	10%	0.095	C	C	.	.	S	Bend	trans	-88.4	139.5	-177.8	-168	175.3	-177.4	-175.7	-21.5	111.6	W319 G321 G434 W436 E453 E473	R312-W319 HydrophobicContact CB-CB 4.25Å; R312-W319 HydrophobicContact CG-CB 4.31Å; R312-W319 HydrophobicContact CG-CD2 4.33Å; R312-W319 HydrophobicContact CG-CE3 4.34Å; R312-W319 HydrophobicContact CG-CG 4.32Å; R312-W319 WeakPolarHBondContact O-CB 3.3Å; R312-G321 WeakPolarHBondContact O-CA 3.35Å; R312-G321 PolarHBondContact O-N 2.68Å; R312-G434 PolarHBondContact NE-O 2.81Å; R312-G434 PolarHBondContact NH2-O 3.43Å; R312-W436 HydrophobicContact CB-CD2 4.47Å; R312-W436 HydrophobicContact CB-CZ2 4.29Å; R312-W436 VanDerWaalsContact CD-CZ2 3.4Å; R312-W436 HydrophobicContact CG-CD2 4.03Å; R312-W436 HydrophobicContact CG-CG 4.5Å; R312-W436 HydrophobicContact CG-CH2 4.37Å; R312-W436 HydrophobicContact CG-CZ2 3.88Å; R312-E453 IonicContact CZ-OE1 3.24Å; R312-E453 IonicContact CZ-OE2 3.69Å; R312-E453 IonicContact NH1-OE1 3.24Å; R312-E453 PolarHBondContact NH1-OE1 3.15Å; R312-E453 VanDerWaalsContact NH1-OE1 3.08Å; R312-E453 IonicContact NH1-OE2 3.07Å; R312-E453 IonicContact NH2-OE1 2.69Å; R312-E453 PolarHBondContact NH2-OE1 3.38Å; R312-E453 IonicContact NH2-OE2 2.79Å; R312-E453 PolarHBondContact NH2-OE2 3.15Å; R312-E473 HydrophobicContact CB-CB 4.31Å; R312-E473 WeakPolarHBondContact CB-OE2 3.49Å; R312-E473 PolarHBondContact NH1-O 3.34Å; R312-E473 VanDerWaalsContact NH1-O 3.16Å
313	G	94.2	Very high	95.7	Very high	3 Å²	3	17.5 Å²	17.5	3%	0.031	10%	0.095	C	C	.	.			trans	74.4	-159.1	175.1	0	0	0	0	0	114.9	Y433 D435	G313-Y433 WeakPolarHBondContact CA-O 3.1Å; G313-D435 PolarHBondContact N-O 3.15Å
314	R	94.6	Very high	96.2	Very high	27 Å²	27	14 Å²	14	10%	0.102	8%	0.075	C	C	.	.			trans	-160.4	-177.5	-166.8	58.6	173.8	-178.5	130.8	2.2	113.2	P302 G316 T317 G321 G322 Y433	P302-R314 HydrophobicContact CG-CB 4.26Å; R314-G316 PolarHBondContact O-N 3.24Å; R314-T317 HydrophobicContact CG-CG2 4.05Å; R314-T317 PolarHBondContact N-OG1 2.99Å; R314-T317 VanDerWaalsContact N-OG1 3.09Å; R314-T317 WeakPolarHBondContact O-CB 3.22Å; R314-T317 WeakPolarHBondContact O-CG2 3.34Å; R314-T317 PolarHBondContact O-N 3.08Å; R314-T317 VanDerWaalsContact O-N 3.14Å; R314-T317 PolarHBondContact O-OG1 2.67Å; R314-G321 CarbonylContact C-O 3.51Å; R314-G321 WeakPolarHBondContact CA-O 3.47Å; R314-G322 VanDerWaalsContact O-CA 3.22Å; R314-G322 WeakPolarHBondContact O-CA 3.14Å; R314-Y433 VanDerWaalsContact NH2-CE2 3.31Å
315	K	96.4	Very high	96.5	Very high	30 Å²	30	13.1 Å²	13.1	13%	0.13	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-38.6	133.5	163.8	-179	170.2	-177.7	163.7	0	112.3	D55 I91 H239 G299 G300 Q301	D55-K315 VanDerWaalsContact OD1-CD 3.26Å; D55-K315 WeakPolarHBondContact OD1-CD 3.39Å; D55-K315 VanDerWaalsContact OD1-CE 3.31Å; D55-K315 WeakPolarHBondContact OD1-CE 3.48Å; D55-K315 IonicContact OD1-NZ 2.62Å; D55-K315 PolarHBondContact OD1-NZ 2.79Å; D55-K315 VanDerWaalsContact OD2-CD 3.22Å; D55-K315 WeakPolarHBondContact OD2-CD 3.31Å; D55-K315 IonicContact OD2-NZ 2.63Å; D55-K315 PolarHBondContact OD2-NZ 3.08Å; I91-K315 HydrophobicContact CG2-CG 4.31Å; H239-K315 PolarHBondContact CD2-NZ 3.33Å; H239-K315 PolarHBondContact NE2-NZ 2.93Å; G299-K315 WeakPolarHBondContact O-CB 3.22Å; G300-K315 PolarHBondContact O-N 3.22Å; Q301-K315 HydrophobicContact CB-CB 4.39Å; Q301-K315 HydrophobicContact CB-CD 4.45Å
316	G	95.3	Very high	96.7	Very high	36 Å²	36	13.2 Å²	13.2	37%	0.371	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	13.3	179.8	0	0	0	0	0	115	P90 R314	P90-G316 PolarHBondContact O-N 3.05Å; R314-G316 PolarHBondContact O-N 3.24Å
317	T	95.8	Very high	96.8	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.012	7%	0.07	C	C	.	.	S	Bend	trans	-128.8	149.6	-179.1	77.3	0	0	0	0	111.3	P90 R314 W319 G322 P431	P90-T317 VanDerWaalsContact CB-O 3.24Å; P90-T317 WeakPolarHBondContact CB-O 3.17Å; R314-T317 HydrophobicContact CG-CG2 4.05Å; R314-T317 PolarHBondContact N-OG1 2.99Å; R314-T317 VanDerWaalsContact N-OG1 3.09Å; R314-T317 WeakPolarHBondContact O-CB 3.22Å; R314-T317 WeakPolarHBondContact O-CG2 3.34Å; R314-T317 PolarHBondContact O-N 3.08Å; R314-T317 VanDerWaalsContact O-N 3.14Å; R314-T317 PolarHBondContact O-OG1 2.67Å; T317-W319 VanDerWaalsContact C-N 3.28Å; T317-G322 WeakPolarHBondContact O-CA 3.39Å; T317-P431 CarbonylContact C-O 3.35Å; T317-P431 VanDerWaalsContact CA-O 3.24Å; T317-P431 WeakPolarHBondContact CA-O 3.43Å; T317-P431 WeakPolarHBondContact CB-O 3.2Å
318	Y	96.9	Very high	96.9	Very high	9 Å²	9	13.3 Å²	13.3	4%	0.035	7%	0.07	C	C	.	.	S	Bend	trans	-87.4	-0.1	-176.6	-68.4	12.6	0	0	0	112.5	P90 N391 Q416 K425 L427 P431	P90-Y318 HydrophobicContact CB-CD1 4.49Å; P90-Y318 HydrophobicContact CG-CD1 3.8Å; P90-Y318 HydrophobicContact CG-CE1 3.79Å; Y318-N391 HydrophobicContact CE2-CB 4.08Å; Y318-N391 PolarHBondContact OH-ND2 2.68Å; Y318-Q416 HydrophobicContact CD2-CG 4.13Å; Y318-Q416 HydrophobicContact CE1-CG 4.49Å; Y318-Q416 HydrophobicContact CE2-CG 3.65Å; Y318-Q416 PolarHBondContact OH-OE1 3.09Å; Y318-K425 VanDerWaalsContact O-CE 3.27Å; Y318-K425 WeakPolarHBondContact O-CE 3.4Å; Y318-K425 PolarHBondContact O-NZ 2.04Å; Y318-L427 WeakPolarHBondContact O-CD2 3.39Å; Y318-P431 PolarHBondContact N-O 3.09Å
319	W	97.9	Very high	97	Very high	3 Å²	3	13 Å²	13	1%	0.011	7%	0.068	C	C	.	.	S	Bend	trans	-62.7	159.3	168.6	-53.2	114.7	0	0	0	111.6	R312 T317 G321 G322 V323 L427 P431 G432 Y433 G434 W463 F465 E473	R312-W319 HydrophobicContact CB-CB 4.25Å; R312-W319 HydrophobicContact CG-CB 4.31Å; R312-W319 HydrophobicContact CG-CD2 4.33Å; R312-W319 HydrophobicContact CG-CE3 4.34Å; R312-W319 HydrophobicContact CG-CG 4.32Å; R312-W319 WeakPolarHBondContact O-CB 3.3Å; T317-W319 VanDerWaalsContact C-N 3.28Å; W319-G321 VanDerWaalsContact C-N 3.26Å; W319-G321 PolarHBondContact O-N 2.97Å; W319-G322 PolarHBondContact O-N 3.16Å; W319-V323 PolarHBondContact O-N 2.89Å; W319-L427 HydrophobicContact CD2-CD2 4.35Å; W319-L427 HydrophobicContact CE3-CD2 4.01Å; W319-L427 HydrophobicContact CZ3-CD1 4.3Å; W319-L427 HydrophobicContact CZ3-CD2 4.28Å; W319-P431 HydrophobicContact CD2-CB 4.33Å; W319-P431 HydrophobicContact CH2-CB 4.47Å; W319-P431 HydrophobicContact CH2-CG 4.33Å; W319-P431 HydrophobicContact CZ2-CB 3.8Å; W319-P431 HydrophobicContact CZ2-CG 3.94Å; W319-G432 PolarHBondContact NE1-O 3.22Å; W319-Y433 VanDerWaalsContact CD1-O 3.31Å; W319-G434 VanDerWaalsContact CD1-CA 3.48Å; W319-W463 AromaticContact CH2-CD1 3.74Å; W319-W463 HydrophobicContact CH2-CD2 4.08Å; W319-W463 AromaticContact CH2-CE2 3.9Å; W319-W463 HydrophobicContact CH2-CG 4.02Å; W319-W463 AromaticContact CH2-NE1 3.64Å; W319-W463 HydrophobicContact CZ3-CG 4.46Å; W319-F465 AromaticContact CZ3-CE2 3.76Å; W319-F465 HydrophobicContact CZ3-CE2 3.76Å; W319-F465 HydrophobicContact CZ3-CZ 4.02Å; W319-E473 WeakPolarHBondContact CA-OE2 3.15Å; W319-E473 WeakPolarHBondContact CB-OE2 3.37Å
320	E	98.7	Very high	97.2	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-53.3	-40.7	-176.3	-72.5	-65.8	93	0	0	112.6	Y87 L311 G322 V323 R324 K425 E473	Y87-E320 WeakPolarHBondContact CE1-OE1 3.43Å; Y87-E320 PolarHBondContact OH-OE2 2.88Å; L311-E320 HydrophobicContact CB-CB 4.14Å; L311-E320 HydrophobicContact CD1-CB 4.35Å; L311-E320 HydrophobicContact CD2-CB 4.29Å; E320-G322 PolarHBondContact O-N 2.94Å; E320-G322 VanDerWaalsContact O-N 3.14Å; E320-V323 PolarHBondContact O-N 2.69Å; E320-R324 HydrophobicContact CB-CB 4.45Å; E320-R324 WeakPolarHBondContact O-CA 3.44Å; E320-R324 WeakPolarHBondContact O-CB 3.47Å; E320-R324 PolarHBondContact O-N 3.11Å; E320-R324 WeakPolarHBondContact OE2-CD 3.46Å; E320-R324 IonicContact OE2-CZ 2.73Å; E320-R324 IonicContact OE2-NH1 3.6Å; E320-R324 PolarHBondContact OE2-NH1 2.83Å; E320-K425 IonicContact OE1-NZ 3.75Å; E320-K425 PolarHBondContact OE1-NZ 3.44Å; E320-E473 HydrophobicContact CG-CG 3.88Å; E320-E473 PolarHBondContact N-OE2 3.32Å
321	G	98.2	Very high	97.4	Very high	1 Å²	1	8 Å²	8	1%	0.01	5%	0.046	C	C	.	.	H	α-helix	trans	-70.9	-1.3	177.2	0	0	0	0	0	115.1	G299 N308 R312 R314 W319	G299-G321 WeakPolarHBondContact CA-O 3.42Å; N308-G321 PolarHBondContact ND2-O 2.65Å; N308-G321 VanDerWaalsContact ND2-O 3.08Å; N308-G321 PolarHBondContact OD1-O 3.06Å; R312-G321 WeakPolarHBondContact O-CA 3.35Å; R312-G321 PolarHBondContact O-N 2.68Å; R314-G321 CarbonylContact C-O 3.51Å; R314-G321 WeakPolarHBondContact CA-O 3.47Å; W319-G321 VanDerWaalsContact C-N 3.26Å; W319-G321 PolarHBondContact O-N 2.97Å
322	G	98.2	Very high	97.4	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-102.4	-39.4	166.6	0	0	0	0	0	113.6	P90 G299 R314 T317 W319 E320	P90-G322 WeakPolarHBondContact CA-O 3.47Å; G299-G322 PolarHBondContact N-O 2.73Å; R314-G322 VanDerWaalsContact O-CA 3.22Å; R314-G322 WeakPolarHBondContact O-CA 3.14Å; T317-G322 WeakPolarHBondContact O-CA 3.39Å; W319-G322 PolarHBondContact O-N 3.16Å; E320-G322 PolarHBondContact O-N 2.94Å; E320-G322 VanDerWaalsContact O-N 3.14Å
323	V	98.7	Very high	97.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-109.3	-19.5	-170.5	-62	0	0	0	0	115.8	Y87 V88 P90 W319 E320 G325	Y87-V323 CarbonylContact C-O 3.59Å; Y87-V323 VanDerWaalsContact CA-O 3.28Å; Y87-V323 WeakPolarHBondContact CA-O 3.28Å; Y87-V323 HydrophobicContact CD1-CB 4.43Å; Y87-V323 HydrophobicContact CD1-CG2 4.05Å; Y87-V323 HydrophobicContact CE1-CG2 4.34Å; V88-V323 PolarHBondContact N-O 3.22Å; V88-V323 WeakPolarHBondContact O-CB 3.37Å; V88-V323 VanDerWaalsContact O-O 3.07Å; P90-V323 HydrophobicContact CB-CG1 3.96Å; P90-V323 HydrophobicContact CG-CG1 4.24Å; W319-V323 PolarHBondContact O-N 2.89Å; E320-V323 PolarHBondContact O-N 2.69Å; V323-G325 PolarHBondContact O-N 3.14Å
324	R	98.7	Very high	97.8	Very high	31 Å²	31	11.9 Å²	11.9	12%	0.117	7%	0.068	C	C	.	.	B	Isolated β-bridge	trans	-82.8	108.3	176.7	-168.3	-175.9	-170.2	142.8	-11.3	108.6	F58 E84 Y87 L311 E320	F58-R324 HydrophobicContact CE2-CG 4.31Å; E84-R324 PolarHBondContact O-NE 3.14Å; E84-R324 PolarHBondContact O-NH2 3Å; Y87-R324 HydrophobicContact CD1-CB 4.31Å; Y87-R324 HydrophobicContact CE1-CB 4.01Å; Y87-R324 HydrophobicContact CE1-CG 4.23Å; L311-R324 HydrophobicContact CD1-CB 3.99Å; L311-R324 HydrophobicContact CD1-CG 4.37Å; E320-R324 HydrophobicContact CB-CB 4.45Å; E320-R324 WeakPolarHBondContact O-CA 3.44Å; E320-R324 WeakPolarHBondContact O-CB 3.47Å; E320-R324 PolarHBondContact O-N 3.11Å; E320-R324 WeakPolarHBondContact OE2-CD 3.46Å; E320-R324 IonicContact OE2-CZ 2.73Å; E320-R324 IonicContact OE2-NH1 3.6Å; E320-R324 PolarHBondContact OE2-NH1 2.83Å
325	G	97.9	Very high	98	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.01	10%	0.096	C	C	.	.			trans	-79.4	145.5	-170.9	0	0	0	0	0	112.4	Y86 V323	Y86-G325 PolarHBondContact O-N 3.23Å; V323-G325 PolarHBondContact O-N 3.14Å
326	L	97.3	Very high	98	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	11%	0.113	C	C	.	.			trans	-66	131.8	156	175.6	62.7	0	0	0	109	Q56 I61 Y63 F294 T295 T296	Q56-L326 HydrophobicContact CG-CD2 3.86Å; I61-L326 HydrophobicContact CB-CD1 4.16Å; I61-L326 HydrophobicContact CB-CD2 4.16Å; I61-L326 HydrophobicContact CD1-CD1 4.14Å; I61-L326 HydrophobicContact CD1-CD2 4.17Å; I61-L326 HydrophobicContact CG2-CD1 3.56Å; I61-L326 HydrophobicContact CG2-CD2 4.42Å; Y63-L326 WeakPolarHBondContact OH-CD1 3.37Å; F294-L326 HydrophobicContact CE1-CD2 4.14Å; T295-L326 VanDerWaalsContact CA-O 3.3Å; T295-L326 WeakPolarHBondContact CA-O 3.5Å; T295-L326 PolarHBondContact OG1-O 2.97Å; T296-L326 HydrophobicContact CG2-CB 4.06Å; T296-L326 PolarHBondContact N-O 2.79Å; T296-L326 VanDerWaalsContact N-O 3.12Å
327	G	98.5	Very high	98.2	Very high	2 Å²	2	26.5 Å²	26.5	2%	0.021	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	152.3	171.8	0	0	0	0	0	116.7	L83 F294	L83-G327 WeakPolarHBondContact CB-O 3.36Å; L83-G327 PolarHBondContact N-O 2.79Å; F294-G327 CarbonylContact O-C 3.58Å; F294-G327 WeakPolarHBondContact O-CA 3.31Å
328	F	98.9	Very high	98.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	159.4	171.8	66.2	-98.2	0	0	0	111.9	I61 Y63 L73 L76 A77 V81 L292 F294 H330	I61-F328 HydrophobicContact CD1-CE1 4.29Å; Y63-F328 HydrophobicContact CE1-CD1 4.23Å; L73-F328 HydrophobicContact CB-CE1 4.16Å; L73-F328 HydrophobicContact CB-CZ 4.34Å; L73-F328 HydrophobicContact CD2-CE1 4.27Å; L73-F328 HydrophobicContact CD2-CZ 4.01Å; L76-F328 HydrophobicContact CB-CE2 3.67Å; L76-F328 HydrophobicContact CB-CZ 4.02Å; A77-F328 HydrophobicContact CB-CB 3.97Å; A77-F328 HydrophobicContact CB-CD1 3.68Å; A77-F328 HydrophobicContact CB-CD2 4.09Å; A77-F328 HydrophobicContact CB-CE1 4.12Å; A77-F328 HydrophobicContact CB-CG 3.65Å; V81-F328 CarbonylContact O-C 3.54Å; V81-F328 VanDerWaalsContact O-CA 3.28Å; V81-F328 WeakPolarHBondContact O-CA 3.49Å; V81-F328 WeakPolarHBondContact O-CB 3.02Å; L292-F328 HydrophobicContact CD2-CE2 4.13Å; F294-F328 HydrophobicContact CB-CD1 3.97Å; F294-F328 HydrophobicContact CB-CD2 4.2Å; F294-F328 HydrophobicContact CB-CE1 3.54Å; F294-F328 HydrophobicContact CB-CE2 3.77Å; F294-F328 HydrophobicContact CB-CG 4.29Å; F294-F328 HydrophobicContact CB-CZ 3.43Å; F294-F328 VanDerWaalsContact CB-CZ 3.43Å; F294-F328 HydrophobicContact CD1-CD1 4.02Å; F294-F328 AromaticContact CD1-CE1 3.52Å; F294-F328 HydrophobicContact CD1-CE1 3.52Å; F294-F328 HydrophobicContact CD1-CZ 4.17Å; F294-F328 HydrophobicContact CD2-CZ 4.48Å; F294-F328 HydrophobicContact CE1-CE1 4.4Å; F294-F328 HydrophobicContact CG-CD1 4.32Å; F294-F328 AromaticContact CG-CE1 3.63Å; F294-F328 HydrophobicContact CG-CE1 3.63Å; F294-F328 AromaticContact CG-CZ 3.79Å; F294-F328 HydrophobicContact CG-CZ 3.79Å; F294-F328 PolarHBondContact N-O 2.88Å; F294-F328 PolarHBondContact O-N 3.24Å; F328-H330 HydrophobicContact CD2-CB 4.45Å; F328-H330 HydrophobicContact CE2-CB 4.39Å
329	V	98.9	Very high	98.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.3	171.7	-179.3	0	0	0	0	109.8	G80 V81 L83 V291 L292 I293 L334 W350 W374 I377	G80-V329 CarbonylContact C-O 3.6Å; G80-V329 VanDerWaalsContact CA-O 3.3Å; G80-V329 WeakPolarHBondContact CA-O 3.44Å; V81-V329 PolarHBondContact N-O 3.38Å; V81-V329 PolarHBondContact O-N 3.49Å; L83-V329 HydrophobicContact CD1-CG2 4.33Å; V291-V329 HydrophobicContact CG1-CG1 3.98Å; L292-V329 WeakPolarHBondContact O-CA 3.23Å; I293-V329 HydrophobicContact CG1-CG2 4.33Å; V329-L334 HydrophobicContact CG1-CD1 4.46Å; V329-L334 HydrophobicContact CG1-CD2 4.23Å; V329-W350 HydrophobicContact CG2-CH2 3.6Å; V329-W350 HydrophobicContact CG2-CZ3 4.2Å; V329-W374 HydrophobicContact CG1-CZ3 4.18Å; V329-I377 HydrophobicContact CB-CG2 4.01Å; V329-I377 HydrophobicContact CG1-CG2 4.31Å; V329-I377 HydrophobicContact CG2-CD1 4.28Å; V329-I377 HydrophobicContact CG2-CG2 3.97Å
330	H	98.9	Very high	98.3	Very high	13 Å²	13	42.7 Å²	42.7	6%	0.06	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.5	175.4	-176.8	92	0	0	0	110.1	L76 Y287 L292 F328	L76-H330 HydrophobicContact CB-CB 4.31Å; L76-H330 PolarHBondContact O-ND1 2.98Å; Y287-H330 AromaticContact CZ-NE2 3.74Å; Y287-H330 PolarHBondContact OH-NE2 3.33Å; L292-H330 HydrophobicContact CB-CB 4.48Å; L292-H330 WeakPolarHBondContact CB-O 3.31Å; L292-H330 HydrophobicContact CD2-CB 4.43Å; L292-H330 PolarHBondContact N-O 3.46Å; L292-H330 PolarHBondContact O-N 3.39Å; F328-H330 HydrophobicContact CD2-CB 4.45Å; F328-H330 HydrophobicContact CE2-CB 4.39Å
331	S	98.8	Very high	98.3	Very high	4 Å²	4	43 Å²	43	3%	0.028	19%	0.187	C	C	.	.			trans	-159.8	143	175	-177.3	0	0	0	0	111.4	S290 L333 L334 K337	S290-S331 VanDerWaalsContact O-CB 3.28Å; S290-S331 WeakPolarHBondContact O-CB 3.46Å; S290-S331 PolarHBondContact O-OG 2.92Å; S331-L333 PolarHBondContact O-N 2.78Å; S331-L333 WeakPolarHBondContact OG-CB 3.47Å; S331-L333 WeakPolarHBondContact OG-CG 3.39Å; S331-L333 PolarHBondContact OG-N 2.96Å; S331-L334 PolarHBondContact O-N 3.22Å; S331-K337 VanDerWaalsContact O-CE 3.28Å; S331-K337 WeakPolarHBondContact O-CE 3.48Å
332	P	98.3	Very high	98.3	Very high	31 Å²	31	50.8 Å²	50.8	20%	0.201	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23	163.8	-27.6	40	0	0	0	113.5	Y287 L334 K337	Y287-P332 HydrophobicContact CD1-CG 4.05Å; Y287-P332 HydrophobicContact CE1-CG 3.88Å; Y287-P332 WeakPolarHBondContact O-CD 3.47Å; Y287-P332 WeakPolarHBondContact O-CG 3.42Å; P332-L334 VanDerWaalsContact C-N 3.34Å; P332-L334 PolarHBondContact O-N 3.12Å; P332-K337 VanDerWaalsContact O-CE 3.28Å; P332-K337 WeakPolarHBondContact O-CE 3.29Å; P332-K337 PolarHBondContact O-NZ 2.78Å
333	L	98.3	Very high	98.3	Very high	53 Å²	53	51.6 Å²	51.6	28%	0.277	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-5.9	-178.6	-50.7	174.7	0	0	0	114.4	P46 V291 S331 R335	P46-L333 HydrophobicContact CB-CD1 3.59Å; P46-L333 HydrophobicContact CG-CD1 4.38Å; V291-L333 HydrophobicContact CG2-CD1 4.12Å; S331-L333 PolarHBondContact O-N 2.78Å; S331-L333 WeakPolarHBondContact OG-CB 3.47Å; S331-L333 WeakPolarHBondContact OG-CG 3.39Å; S331-L333 PolarHBondContact OG-N 2.96Å; L333-R335 PolarHBondContact O-N 3.3Å
334	L	98.6	Very high	98.3	Very high	6 Å²	6	52.2 Å²	52.2	3%	0.031	23%	0.23	C	C	.	.			trans	-66.8	125	174.4	-71.5	163.6	0	0	0	110.6	V81 V329 S331 P332 K337 W374 I377 S378	V81-L334 HydrophobicContact CG2-CD1 4.1Å; V81-L334 HydrophobicContact CG2-CD2 4.12Å; V329-L334 HydrophobicContact CG1-CD1 4.46Å; V329-L334 HydrophobicContact CG1-CD2 4.23Å; S331-L334 PolarHBondContact O-N 3.22Å; P332-L334 VanDerWaalsContact C-N 3.34Å; P332-L334 PolarHBondContact O-N 3.12Å; L334-K337 HydrophobicContact CB-CG 3.78Å; L334-K337 HydrophobicContact CD1-CG 4.49Å; L334-K337 VanDerWaalsContact O-CE 3.25Å; L334-K337 WeakPolarHBondContact O-CE 3.46Å; L334-W374 HydrophobicContact CD2-CH2 3.79Å; L334-W374 HydrophobicContact CD2-CZ2 4.45Å; L334-W374 HydrophobicContact CD2-CZ3 4.14Å; L334-W374 HydrophobicContact CG-CH2 4.35Å; L334-I377 HydrophobicContact CD2-CG2 4.04Å; L334-S378 WeakPolarHBondContact CA-OG 3.1Å
335	R	98.1	Very high	98.3	Very high	185 Å²	185	50.8 Å²	50.8	70%	0.698	23%	0.225	S	C	*	.	S	Bend	trans	-70.8	-36.1	178.7	-67.5	-175.9	67.9	-174.8	7.6	112.5	L333 S378 E379	L333-R335 PolarHBondContact O-N 3.3Å; R335-S378 CarbonylContact C-O 3.58Å; R335-S378 PolarHBondContact N-O 3.32Å; R335-S378 PolarHBondContact N-OG 3.47Å; R335-E379 VanDerWaalsContact CD-OE1 3.27Å; R335-E379 WeakPolarHBondContact CD-OE1 3.13Å; R335-E379 IonicContact CZ-OE1 2.98Å; R335-E379 IonicContact NE-OE1 3.08Å; R335-E379 IonicContact NH1-OE1 3.91Å; R335-E379 PolarHBondContact NH1-OE1 2.78Å; R335-E379 IonicContact NH1-OE2 3.62Å
336	K	98.2	Very high	98.3	Very high	113 Å²	113	50.7 Å²	50.7	49%	0.491	23%	0.225	S	C	.	.	S	Bend	trans	-123.4	99.7	175	-64.2	-172.1	-168.4	156.5	0	110.6	R339 S378 E379	K336-R339 WeakPolarHBondContact O-CD 3.29Å; K336-S378 PolarHBondContact N-O 3.3Å; K336-E379 VanDerWaalsContact CD-O 3.25Å; K336-E379 WeakPolarHBondContact CD-O 3.27Å; K336-E379 WeakPolarHBondContact CE-O 3.45Å; K336-E379 PolarHBondContact NZ-O 2.73Å
337	K	97.7	Very high	98.4	Very high	101 Å²	101	50.7 Å²	50.7	44%	0.439	22%	0.224	S	C	.	.			trans	-86.5	174.9	177.9	-70	166.7	-173.9	157.2	0	111.7	D79 S331 P332 L334 R339	D79-K337 WeakPolarHBondContact O-CB 3.47Å; S331-K337 VanDerWaalsContact O-CE 3.28Å; S331-K337 WeakPolarHBondContact O-CE 3.48Å; P332-K337 VanDerWaalsContact O-CE 3.28Å; P332-K337 WeakPolarHBondContact O-CE 3.29Å; P332-K337 PolarHBondContact O-NZ 2.78Å; L334-K337 HydrophobicContact CB-CG 3.78Å; L334-K337 HydrophobicContact CD1-CG 4.49Å; L334-K337 VanDerWaalsContact O-CE 3.25Å; L334-K337 WeakPolarHBondContact O-CE 3.46Å; K337-R339 PolarHBondContact O-N 3.28Å
338	R	98.1	Very high	98.4	Very high	191 Å²	191	50.6 Å²	50.6	72%	0.721	22%	0.223	S	C	*	.	S	Bend	trans	55.4	48.9	173.3	-57.3	-174.9	172	153.4	3	114.1	A78 D79 G80	A78-R338 WeakPolarHBondContact O-CA 3.33Å; A78-R338 WeakPolarHBondContact O-CG 3.48Å; D79-R338 IonicContact OD1-CZ 3.82Å; D79-R338 IonicContact OD1-NE 2.67Å; D79-R338 PolarHBondContact OD1-NE 3.16Å; D79-R338 IonicContact OD1-NH2 3.8Å; D79-R338 PolarHBondContact OD1-NH2 3.33Å; G80-R338 WeakPolarHBondContact O-CA 3.38Å; G80-R338 PolarHBondContact O-N 3.28Å
339	R	97.8	Very high	98.4	Very high	95 Å²	95	50.6 Å²	50.6	36%	0.358	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	157.6	-176.9	64.4	175.8	-64.5	94.4	1.3	114.6	G80 V81 K82 K336 K337	G80-R339 PolarHBondContact O-N 3.26Å; V81-R339 WeakPolarHBondContact CA-O 3.44Å; V81-R339 HydrophobicContact CG1-CG 4.26Å; V81-R339 HydrophobicContact CG2-CG 3.85Å; K82-R339 PolarHBondContact N-O 3.16Å; K336-R339 WeakPolarHBondContact O-CD 3.29Å; K337-R339 PolarHBondContact O-N 3.28Å
340	V	98.5	Very high	98.4	Very high	69 Å²	69	50.7 Å²	50.7	42%	0.418	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	128.6	163.7	164.7	0	0	0	0	108.7	K82 E84 K342	K82-V340 HydrophobicContact CB-CG2 4.32Å; K82-V340 HydrophobicContact CD-CG2 4.27Å; E84-V340 HydrophobicContact CB-CG1 4.02Å; E84-V340 HydrophobicContact CG-CB 4.49Å; E84-V340 HydrophobicContact CG-CG1 3.45Å; E84-V340 VanDerWaalsContact CG-CG1 3.45Å; E84-V340 HydrophobicContact CG-CG2 4.41Å; V340-K342 HydrophobicContact CG1-CG 4.36Å
341	S	98.3	Very high	98.4	Very high	5 Å²	5	50.3 Å²	50.3	4%	0.035	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130	168.7	-170.1	0	0	0	0	110.4	K82 E84 A343	K82-S341 WeakPolarHBondContact O-CB 3.2Å; K82-S341 PolarHBondContact O-N 3.44Å; E84-S341 PolarHBondContact N-O 3.44Å; S341-A343 WeakPolarHBondContact OG-CB 3.42Å; S341-A343 PolarHBondContact OG-N 2.87Å
342	K	97.3	Very high	98.4	Very high	165 Å²	165	50.4 Å²	50.4	72%	0.717	22%	0.223	S	C	*	.			trans	-107.3	9.9	167.4	-63.5	-172.2	177.6	-173.6	0	112	N85 V340 L344	N85-K342 WeakPolarHBondContact CB-O 3.26Å; N85-K342 PolarHBondContact ND2-O 3.02Å; V340-K342 HydrophobicContact CG1-CG 4.36Å; K342-L344 PolarHBondContact O-N 2.64Å
343	A	97.7	Very high	98.4	Very high	17 Å²	17	49 Å²	49	14%	0.14	21%	0.213	C	C	.	.	S	Bend	trans	-60	135.1	170.8	0	0	0	0	0	109.3	S341 V345 A376	S341-A343 WeakPolarHBondContact OG-CB 3.42Å; S341-A343 PolarHBondContact OG-N 2.87Å; A343-V345 PolarHBondContact O-N 3.17Å; A343-A376 HydrophobicContact CB-CB 3.96Å
344	L	98.6	Very high	98.4	Very high	13 Å²	13	46.5 Å²	46.5	7%	0.068	20%	0.2	C	C	.	.			trans	-70	118.7	-180	178.9	51.2	0	0	0	110	Y87 K342 S383 R385 I388 R420	Y87-L344 HydrophobicContact CD2-CD1 3.83Å; Y87-L344 HydrophobicContact CE2-CD1 3.87Å; K342-L344 PolarHBondContact O-N 2.64Å; L344-S383 VanDerWaalsContact O-CB 3.3Å; L344-S383 WeakPolarHBondContact O-CB 3.24Å; L344-S383 PolarHBondContact O-OG 3Å; L344-R385 HydrophobicContact CD2-CG 4.1Å; L344-R385 HydrophobicContact CG-CG 3.95Å; L344-I388 HydrophobicContact CD1-CD1 3.5Å; L344-I388 VanDerWaalsContact CD1-CD1 3.5Å; L344-I388 HydrophobicContact CD1-CG1 4.32Å; L344-I388 HydrophobicContact CD2-CD1 4.47Å; L344-I388 HydrophobicContact CD2-CG1 4.44Å; L344-I388 HydrophobicContact CG-CD1 4.11Å; L344-I388 HydrophobicContact CG-CG1 4.49Å; L344-R420 VanDerWaalsContact CD1-NH1 3.27Å
345	V	98.8	Very high	98.4	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146.5	179	-176.8	0	0	0	0	109.5	N85 Y86 Y87 A343 D349 V373	N85-V345 PolarHBondContact O-N 3.26Å; N85-V345 VanDerWaalsContact O-N 3.14Å; Y86-V345 CarbonylContact C-O 3.51Å; Y86-V345 VanDerWaalsContact CA-O 3.29Å; Y86-V345 WeakPolarHBondContact CA-O 3.39Å; Y86-V345 HydrophobicContact CD2-CB 3.98Å; Y86-V345 HydrophobicContact CD2-CG1 3.76Å; Y86-V345 HydrophobicContact CE2-CG1 4.25Å; Y87-V345 PolarHBondContact N-O 3.38Å; A343-V345 PolarHBondContact O-N 3.17Å; V345-D349 WeakPolarHBondContact CA-OD2 3.36Å; V345-D349 HydrophobicContact CG1-CB 4.24Å; V345-V373 HydrophobicContact CG1-CG2 3.94Å; V345-V373 HydrophobicContact CG2-CB 4.32Å; V345-V373 HydrophobicContact CG2-CG1 4.37Å; V345-V373 HydrophobicContact CG2-CG2 4.24Å
346	H	98.9	Very high	98.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	156.7	176.9	-175.4	-121.2	0	0	0	110.9	Y87 Q89 Q98 Y104 T348 D349 I388	Y87-H346 CarbonylContact O-C 3.21Å; Y87-H346 WeakPolarHBondContact O-CA 3.21Å; Y87-H346 PolarHBondContact O-CD2 3Å; Y87-H346 VanDerWaalsContact O-CD2 3.3Å; Q89-H346 PolarHBondContact NE2-NE2 2.86Å; Q98-H346 PolarHBondContact OE1-CE1 3.39Å; Y104-H346 AromaticContact CD1-CE1 3.85Å; Y104-H346 AromaticContact CE1-CE1 3.45Å; Y104-H346 VanDerWaalsContact CE1-CE1 3.45Å; Y104-H346 WeakPolarHBondContact CE1-CE1 3.41Å; Y104-H346 AromaticContact CE1-ND1 3.77Å; H346-T348 PolarHBondContact ND1-N 3.11Å; H346-T348 PolarHBondContact ND1-OG1 3.13Å; H346-T348 PolarHBondContact O-N 2.68Å; H346-T348 VanDerWaalsContact O-N 3.14Å; H346-D349 PolarHBondContact N-OD2 3.07Å; H346-D349 WeakPolarHBondContact O-CB 3.13Å; H346-D349 PolarHBondContact O-N 3.25Å; H346-I388 HydrophobicContact CB-CD1 3.76Å; H346-I388 HydrophobicContact CB-CG1 4.11Å
347	I	98.9	Very high	98.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-58.7	-27.5	-179	-163.9	165.6	0	0	0	114	M52 Y87 V88 S95 Q98 L99 D349 W350	M52-I347 HydrophobicContact CE-CD1 3.79Å; Y87-I347 PolarHBondContact O-N 3.1Å; V88-I347 HydrophobicContact CB-CD1 4.43Å; V88-I347 HydrophobicContact CG1-CB 4.27Å; V88-I347 HydrophobicContact CG1-CD1 4.08Å; S95-I347 WeakPolarHBondContact O-CD1 3.43Å; Q98-I347 HydrophobicContact CB-CG2 3.91Å; L99-I347 HydrophobicContact CB-CD1 4.14Å; L99-I347 HydrophobicContact CB-CG1 3.95Å; I347-D349 VanDerWaalsContact C-N 3.28Å; I347-D349 PolarHBondContact O-N 2.99Å; I347-W350 PolarHBondContact O-N 2.7Å
348	T	98.9	Very high	98.4	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-67.2	-25	172.8	54.8	0	0	0	0	113.5	Q98 G102 Y104 H346 W350 Y351 P352 G370 R385	Q98-T348 HydrophobicContact CB-CG2 3.8Å; Q98-T348 HydrophobicContact CG-CG2 4.43Å; G102-T348 WeakPolarHBondContact O-CB 3.38Å; Y104-T348 HydrophobicContact CD1-CG2 4.3Å; H346-T348 PolarHBondContact ND1-N 3.11Å; H346-T348 PolarHBondContact ND1-OG1 3.13Å; H346-T348 PolarHBondContact O-N 2.68Å; H346-T348 VanDerWaalsContact O-N 3.14Å; T348-W350 PolarHBondContact O-N 3.47Å; T348-Y351 PolarHBondContact O-N 2.79Å; T348-P352 WeakPolarHBondContact O-CD 3.22Å; T348-G370 WeakPolarHBondContact O-CA 3.48Å; T348-R385 PolarHBondContact OG1-NH2 2.75Å; T348-R385 VanDerWaalsContact OG1-NH2 3.11Å
349	D	98.9	Very high	98.3	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-65.9	-24.8	-179.3	-64.1	-30.6	0	0	0	112.3	V345 H346 I347 Y351 P352 T353 G370 H371 V373 R385	V345-D349 WeakPolarHBondContact CA-OD2 3.36Å; V345-D349 HydrophobicContact CG1-CB 4.24Å; H346-D349 PolarHBondContact N-OD2 3.07Å; H346-D349 WeakPolarHBondContact O-CB 3.13Å; H346-D349 PolarHBondContact O-N 3.25Å; I347-D349 VanDerWaalsContact C-N 3.28Å; I347-D349 PolarHBondContact O-N 2.99Å; D349-Y351 VanDerWaalsContact C-N 3.26Å; D349-Y351 PolarHBondContact O-N 2.94Å; D349-P352 WeakPolarHBondContact O-CD 3.39Å; D349-P352 WeakPolarHBondContact O-CG 3.26Å; D349-T353 WeakPolarHBondContact O-CB 3.46Å; D349-T353 PolarHBondContact O-N 3.21Å; D349-T353 PolarHBondContact O-OG1 2.99Å; D349-G370 WeakPolarHBondContact OD1-CA 3.27Å; D349-H371 WeakPolarHBondContact CA-O 3.48Å; D349-H371 VanDerWaalsContact CB-O 3.29Å; D349-H371 WeakPolarHBondContact CB-O 3.27Å; D349-H371 IonicContact OD1-CD2 3.44Å; D349-H371 PolarHBondContact OD1-N 3.24Å; D349-V373 HydrophobicContact CB-CG1 3.89Å; D349-V373 HydrophobicContact CB-CG2 3.93Å; D349-R385 VanDerWaalsContact CG-NE 3.3Å; D349-R385 IonicContact OD1-CZ 2.68Å; D349-R385 VanDerWaalsContact OD1-CZ 3.24Å; D349-R385 IonicContact OD1-NE 2.65Å; D349-R385 PolarHBondContact OD1-NE 3.45Å; D349-R385 IonicContact OD1-NH2 3.82Å; D349-R385 PolarHBondContact OD1-NH2 2.86Å; D349-R385 WeakPolarHBondContact OD2-CD 3.4Å; D349-R385 IonicContact OD2-CZ 2.92Å; D349-R385 IonicContact OD2-NE 3.12Å; D349-R385 PolarHBondContact OD2-NE 3.33Å; D349-R385 IonicContact OD2-NH2 2.91Å
350	W	98.9	Very high	98.2	Very high	3 Å²	3	20.3 Å²	20.3	1%	0.011	13%	0.131	C	C	.	.	H	α-helix	trans	-60.8	-34	178.4	-65.8	125.4	0	0	0	112.6	F50 L83 Y86 L99 I293 V329 I347 T348 T353 L354 I377	F50-W350 HydrophobicContact CE2-CB 4.08Å; F50-W350 AromaticContact CE2-CD1 3.72Å; F50-W350 AromaticContact CE2-CD2 3.85Å; F50-W350 HydrophobicContact CE2-CD2 3.85Å; F50-W350 HydrophobicContact CE2-CE3 4.49Å; F50-W350 AromaticContact CE2-CG 3.62Å; F50-W350 HydrophobicContact CE2-CG 3.62Å; F50-W350 AromaticContact CZ-CD1 3.74Å; F50-W350 HydrophobicContact CZ-CG 4.11Å; F50-W350 AromaticContact CZ-NE1 3.93Å; L83-W350 HydrophobicContact CD1-CH2 3.97Å; L83-W350 HydrophobicContact CD1-CZ2 3.8Å; Y86-W350 HydrophobicContact CE2-CZ2 4.25Å; Y86-W350 AromaticContact CE2-NE1 3.51Å; Y86-W350 AromaticContact CZ-NE1 3.68Å; Y86-W350 PolarHBondContact OH-NE1 3.36Å; Y86-W350 VanDerWaalsContact OH-NE1 3.13Å; L99-W350 HydrophobicContact CD1-CB 3.67Å; L99-W350 HydrophobicContact CD1-CG 4.15Å; I293-W350 HydrophobicContact CG1-CE3 4.39Å; I293-W350 HydrophobicContact CG1-CH2 4.25Å; I293-W350 HydrophobicContact CG1-CZ3 3.98Å; I293-W350 HydrophobicContact CG2-CH2 3.77Å; I293-W350 HydrophobicContact CG2-CZ2 3.65Å; I293-W350 HydrophobicContact CG2-CZ3 4.22Å; V329-W350 HydrophobicContact CG2-CH2 3.6Å; V329-W350 HydrophobicContact CG2-CZ3 4.2Å; I347-W350 PolarHBondContact O-N 2.7Å; T348-W350 PolarHBondContact O-N 3.47Å; W350-T353 HydrophobicContact CE3-CG2 4.47Å; W350-L354 HydrophobicContact CB-CD1 4.29Å; W350-L354 WeakPolarHBondContact O-CB 3.35Å; W350-L354 WeakPolarHBondContact O-CG 3.48Å; W350-L354 PolarHBondContact O-N 3.31Å; W350-I377 HydrophobicContact CH2-CD1 3.74Å; W350-I377 HydrophobicContact CZ3-CD1 3.87Å
351	Y	98.8	Very high	97.9	Very high	5 Å²	5	21.7 Å²	21.7	2%	0.02	14%	0.137	C	C	.	.	H	α-helix	trans	-59.7	-63.4	178.8	-173.5	-64.7	0	0	0	111.9	T101 V128 L130 R133 T348 D349 T353 L354 V355 V368	T101-Y351 WeakPolarHBondContact O-CD2 3.47Å; T101-Y351 WeakPolarHBondContact O-CE2 3.31Å; V128-Y351 WeakPolarHBondContact O-CE2 3.49Å; V128-Y351 PolarHBondContact O-OH 3.25Å; L130-Y351 HydrophobicContact CB-CD2 3.64Å; L130-Y351 HydrophobicContact CB-CE2 4Å; L130-Y351 HydrophobicContact CB-CG 4.33Å; L130-Y351 HydrophobicContact CD1-CG 4.48Å; R133-Y351 HydrophobicContact CG-CE1 4.06Å; R133-Y351 WeakPolarHBondContact CG-OH 3.41Å; T348-Y351 PolarHBondContact O-N 2.79Å; D349-Y351 VanDerWaalsContact C-N 3.26Å; D349-Y351 PolarHBondContact O-N 2.94Å; Y351-T353 VanDerWaalsContact C-N 3.3Å; Y351-T353 PolarHBondContact O-N 3.15Å; Y351-L354 PolarHBondContact O-N 3.35Å; Y351-V355 HydrophobicContact CD1-CG2 4.12Å; Y351-V355 HydrophobicContact CE1-CG2 4.11Å; Y351-V355 WeakPolarHBondContact O-CB 3.46Å; Y351-V355 VanDerWaalsContact O-CG2 3.31Å; Y351-V355 WeakPolarHBondContact O-CG2 3.17Å; Y351-V355 PolarHBondContact O-N 3.12Å; Y351-V368 HydrophobicContact CD1-CG1 3.99Å; Y351-V368 HydrophobicContact CE1-CG1 3.94Å
352	P	98.8	Very high	97.4	Very high	6 Å²	6	29.6 Å²	29.6	4%	0.039	17%	0.173	C	C	.	.	H	α-helix	trans	-68.1	-27.2	178.9	27.2	-35.9	0	0	0	113.5	T348 D349 G356 T365 V368 H371	T348-P352 WeakPolarHBondContact O-CD 3.22Å; D349-P352 WeakPolarHBondContact O-CD 3.39Å; D349-P352 WeakPolarHBondContact O-CG 3.26Å; P352-G356 PolarHBondContact O-N 3.45Å; P352-T365 HydrophobicContact CB-CG2 3.69Å; P352-V368 HydrophobicContact CB-CG2 4.42Å; P352-V368 HydrophobicContact CG-CG2 4.17Å; P352-H371 VanDerWaalsContact CG-C 3.46Å
353	T	98.8	Very high	97.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.3	-44.8	175	-59.6	0	0	0	0	111.6	D349 W350 Y351 L357 H371 N372 V373 W374	D349-T353 WeakPolarHBondContact O-CB 3.46Å; D349-T353 PolarHBondContact O-N 3.21Å; D349-T353 PolarHBondContact O-OG1 2.99Å; W350-T353 HydrophobicContact CE3-CG2 4.47Å; Y351-T353 VanDerWaalsContact C-N 3.3Å; Y351-T353 PolarHBondContact O-N 3.15Å; T353-L357 HydrophobicContact CG2-CD1 4.42Å; T353-L357 WeakPolarHBondContact O-CG 3.49Å; T353-L357 PolarHBondContact O-N 3.49Å; T353-H371 PolarHBondContact OG1-O 2.99Å; T353-N372 WeakPolarHBondContact OG1-CA 3.36Å; T353-V373 HydrophobicContact CG2-CG2 4.33Å; T353-V373 WeakPolarHBondContact OG1-CG2 3.47Å; T353-V373 PolarHBondContact OG1-N 3.48Å; T353-W374 HydrophobicContact CG2-CB 3.98Å
354	L	98.8	Very high	96.9	Very high	1 Å²	1	26 Å²	26	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-77.2	-36.2	-178.9	-65.2	175.8	0	0	0	111.9	I48 F50 L130 I293 W350 Y351 L357 A358	I48-L354 HydrophobicContact CD1-CB 4.2Å; I48-L354 HydrophobicContact CD1-CD2 4.07Å; I48-L354 HydrophobicContact CG1-CD2 4.22Å; I48-L354 HydrophobicContact CG2-CD1 4.09Å; I48-L354 HydrophobicContact CG2-CD2 3.66Å; I48-L354 HydrophobicContact CG2-CG 4.42Å; F50-L354 HydrophobicContact CD2-CD1 4.05Å; L130-L354 HydrophobicContact CD1-CB 4.07Å; L130-L354 HydrophobicContact CD2-CD1 3.82Å; I293-L354 HydrophobicContact CD1-CD2 4.06Å; W350-L354 HydrophobicContact CB-CD1 4.29Å; W350-L354 WeakPolarHBondContact O-CB 3.35Å; W350-L354 WeakPolarHBondContact O-CG 3.48Å; W350-L354 PolarHBondContact O-N 3.31Å; Y351-L354 PolarHBondContact O-N 3.35Å; L354-L357 HydrophobicContact CD2-CD1 4.14Å; L354-L357 PolarHBondContact O-N 3.02Å; L354-A358 WeakPolarHBondContact O-CB 3.5Å; L354-A358 PolarHBondContact O-N 2.8Å
355	V	98.6	Very high	96.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.9	-43.6	169.8	170.1	0	0	0	0	111.1	L130 R133 L137 Y351 A358 G359 G360 L364 T365	L130-V355 HydrophobicContact CD1-CG2 4Å; R133-V355 HydrophobicContact CB-CG2 3.79Å; R133-V355 HydrophobicContact CG-CG2 4.29Å; L137-V355 HydrophobicContact CD1-CG1 4.15Å; Y351-V355 HydrophobicContact CD1-CG2 4.12Å; Y351-V355 HydrophobicContact CE1-CG2 4.11Å; Y351-V355 WeakPolarHBondContact O-CB 3.46Å; Y351-V355 VanDerWaalsContact O-CG2 3.31Å; Y351-V355 WeakPolarHBondContact O-CG2 3.17Å; Y351-V355 PolarHBondContact O-N 3.12Å; V355-A358 WeakPolarHBondContact O-CB 3.24Å; V355-A358 PolarHBondContact O-N 2.92Å; V355-G359 PolarHBondContact O-N 3.11Å; V355-G360 WeakPolarHBondContact O-CA 3.27Å; V355-G360 PolarHBondContact O-N 2.75Å; V355-L364 HydrophobicContact CG1-CB 3.93Å; V355-L364 HydrophobicContact CG1-CD1 4.34Å; V355-T365 HydrophobicContact CB-CG2 4.02Å; V355-T365 HydrophobicContact CG1-CG2 3.77Å
356	G	97.9	Very high	96.2	Very high	27 Å²	27	34.6 Å²	34.6	28%	0.278	21%	0.206	S	C	.	.	H	α-helix	trans	-66.2	-38.5	176	0	0	0	0	0	113.6	P352 A358 G359	P352-G356 PolarHBondContact O-N 3.45Å; G356-A358 VanDerWaalsContact C-N 3.28Å; G356-A358 PolarHBondContact O-N 3.38Å; G356-G359 PolarHBondContact O-N 3.05Å
357	L	98	Very high	95.9	Very high	29 Å²	29	37 Å²	37	15%	0.152	23%	0.232	C	C	.	.	H	α-helix	trans	-63.6	-34	172.2	-81.4	168.6	0	0	0	112.6	P46 V291 T353 L354 G359 W374	P46-L357 VanDerWaalsContact CD-O 3.24Å; P46-L357 WeakPolarHBondContact CD-O 3.42Å; P46-L357 HydrophobicContact CG-CB 4.26Å; P46-L357 HydrophobicContact CG-CD2 4.35Å; V291-L357 HydrophobicContact CG2-CD1 4.4Å; T353-L357 HydrophobicContact CG2-CD1 4.42Å; T353-L357 WeakPolarHBondContact O-CG 3.49Å; T353-L357 PolarHBondContact O-N 3.49Å; L354-L357 HydrophobicContact CD2-CD1 4.14Å; L354-L357 PolarHBondContact O-N 3.02Å; L357-G359 PolarHBondContact O-N 3.46Å; L357-W374 HydrophobicContact CD1-CD2 4.13Å; L357-W374 HydrophobicContact CD1-CE3 3.88Å; L357-W374 HydrophobicContact CD1-CZ3 4.2Å; L357-W374 HydrophobicContact CD2-CD2 3.83Å; L357-W374 HydrophobicContact CD2-CE3 4.37Å; L357-W374 HydrophobicContact CD2-CG 4.03Å; L357-W374 HydrophobicContact CD2-CZ2 4.16Å; L357-W374 HydrophobicContact CG-CD2 4.27Å; L357-W374 HydrophobicContact CG-CG 4.35Å
358	A	97.9	Very high	95.8	Very high	4 Å²	4	38.5 Å²	38.5	3%	0.033	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	5.2	175	0	0	0	0	0	114.3	L134 L137 Y139 L354 V355 G356 G360	L134-A358 HydrophobicContact CD2-CB 3.49Å; L134-A358 VanDerWaalsContact CD2-CB 3.49Å; L137-A358 HydrophobicContact CB-CB 4.26Å; L137-A358 HydrophobicContact CD1-CB 3.61Å; Y139-A358 HydrophobicContact CD2-CB 4.14Å; Y139-A358 HydrophobicContact CE2-CB 3.32Å; L354-A358 WeakPolarHBondContact O-CB 3.5Å; L354-A358 PolarHBondContact O-N 2.8Å; V355-A358 WeakPolarHBondContact O-CB 3.24Å; V355-A358 PolarHBondContact O-N 2.92Å; G356-A358 VanDerWaalsContact C-N 3.28Å; G356-A358 PolarHBondContact O-N 3.38Å; A358-G360 VanDerWaalsContact C-N 3.34Å
359	G	95.9	Very high	95.8	Very high	65 Å²	65	39.9 Å²	39.9	67%	0.67	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.7	8.5	-177.6	0	0	0	0	0	114.5	V355 G356 L357	V355-G359 PolarHBondContact O-N 3.11Å; G356-G359 PolarHBondContact O-N 3.05Å; L357-G359 PolarHBondContact O-N 3.46Å
360	G	95.4	Very high	95.8	Very high	16 Å²	16	40.2 Å²	40.2	17%	0.165	25%	0.251	C	S	.	.			trans	-70.7	148.1	175.1	0	0	0	0	0	113.1	V355 A358	V355-G360 WeakPolarHBondContact O-CA 3.27Å; V355-G360 PolarHBondContact O-N 2.75Å; A358-G360 VanDerWaalsContact C-N 3.34Å
361	N	91.1	Very high	95.7	Very high	99 Å²	99	43.7 Å²	43.7	53%	0.529	27%	0.268	S	S	.	.			trans	-95.8	175.3	177.3	66.6	15.9	0	0	0	112.1	S363 L364	N361-S363 VanDerWaalsContact C-N 3.26Å; N361-S363 PolarHBondContact O-N 2.85Å; N361-S363 PolarHBondContact OD1-N 3.37Å; N361-S363 PolarHBondContact OD1-OG 3.38Å; N361-L364 PolarHBondContact O-N 3.02Å
362	E	87.6	Confident	95.7	Very high	171 Å²	171	47.1 Å²	47.1	80%	0.799	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-60.7	-30	-175.2	-61.7	-174.7	163.8	0	0	113.8	L364 T365 E366	E362-L364 VanDerWaalsContact C-N 3.28Å; E362-L364 PolarHBondContact O-N 2.73Å; E362-T365 CarbonylContact O-C 3.59Å; E362-T365 WeakPolarHBondContact O-CA 3.22Å; E362-T365 PolarHBondContact O-N 3.03Å; E362-T365 PolarHBondContact O-OG1 3.45Å; E362-E366 PolarHBondContact O-N 3.05Å
363	S	92.1	Very high	95.7	Very high	73 Å²	73	46.9 Å²	46.9	51%	0.51	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-69.1	-24.4	-179.1	70.7	0	0	0	0	113.4	N361 T365	N361-S363 VanDerWaalsContact C-N 3.26Å; N361-S363 PolarHBondContact O-N 2.85Å; N361-S363 PolarHBondContact OD1-N 3.37Å; N361-S363 PolarHBondContact OD1-OG 3.38Å; S363-T365 PolarHBondContact O-N 3.46Å
364	L	92.6	Very high	95.7	Very high	33 Å²	33	49 Å²	49	17%	0.173	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-70.9	-13.9	170.9	-61.6	180	0	0	0	112.8	R133 L137 V355 N361 E362	R133-L364 PolarHBondContact NE-O 3Å; R133-L364 PolarHBondContact NH2-O 3.21Å; R133-L364 VanDerWaalsContact NH2-O 3.17Å; L137-L364 HydrophobicContact CD1-CD1 4.14Å; L137-L364 HydrophobicContact CD2-CD1 3.86Å; L137-L364 HydrophobicContact CG-CD1 4.18Å; V355-L364 HydrophobicContact CG1-CB 3.93Å; V355-L364 HydrophobicContact CG1-CD1 4.34Å; N361-L364 PolarHBondContact O-N 3.02Å; E362-L364 VanDerWaalsContact C-N 3.28Å; E362-L364 PolarHBondContact O-N 2.73Å
365	T	93.1	Very high	95.7	Very high	27 Å²	27	50.8 Å²	50.8	17%	0.166	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-114.7	9	-178.1	62.8	0	0	0	0	113.3	P352 V355 E362 S363 G367 V368	P352-T365 HydrophobicContact CB-CG2 3.69Å; V355-T365 HydrophobicContact CB-CG2 4.02Å; V355-T365 HydrophobicContact CG1-CG2 3.77Å; E362-T365 CarbonylContact O-C 3.59Å; E362-T365 WeakPolarHBondContact O-CA 3.22Å; E362-T365 PolarHBondContact O-N 3.03Å; E362-T365 PolarHBondContact O-OG1 3.45Å; S363-T365 PolarHBondContact O-N 3.46Å; T365-G367 PolarHBondContact O-N 2.86Å; T365-V368 VanDerWaalsContact O-CG2 3.24Å; T365-V368 WeakPolarHBondContact O-CG2 3.22Å; T365-V368 PolarHBondContact O-N 3.45Å
366	E	91.3	Very high	95.7	Very high	168 Å²	168	50.9 Å²	50.9	79%	0.785	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	133.6	178.1	-169.9	174.6	-174.4	0	0	111.3	E362	E362-E366 PolarHBondContact O-N 3.05Å
367	G	91.8	Very high	95.7	Very high	51 Å²	51	49.6 Å²	49.6	53%	0.526	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	3.1	178.6	0	0	0	0	0	116.2	R103 T365	R103-G367 PolarHBondContact NE-O 3.41Å; R103-G367 VanDerWaalsContact NE-O 3.12Å; T365-G367 PolarHBondContact O-N 2.86Å
368	V	97.1	Very high	95.7	Very high	30 Å²	30	48.2 Å²	48.2	18%	0.182	29%	0.288	C	S	.	.			trans	-79.6	153.2	170.2	-49.6	0	0	0	0	111.7	Y351 P352 T365	Y351-V368 HydrophobicContact CD1-CG1 3.99Å; Y351-V368 HydrophobicContact CE1-CG1 3.94Å; P352-V368 HydrophobicContact CB-CG2 4.42Å; P352-V368 HydrophobicContact CG-CG2 4.17Å; T365-V368 VanDerWaalsContact O-CG2 3.24Å; T365-V368 WeakPolarHBondContact O-CG2 3.22Å; T365-V368 PolarHBondContact O-N 3.45Å
369	D	98.4	Very high	95.7	Very high	29 Å²	29	49.8 Å²	49.8	16%	0.155	29%	0.294	C	S	.	.	S	Bend	trans	-91.6	-2.4	173.2	-64.3	-71.3	0	0	0	112.8	G102 R103 Y104 H107 R385	G102-D369 PolarHBondContact O-N 2.81Å; R103-D369 VanDerWaalsContact CA-OD2 3.29Å; R103-D369 WeakPolarHBondContact CA-OD2 3.38Å; Y104-D369 HydrophobicContact CD2-CB 3.47Å; Y104-D369 VanDerWaalsContact CD2-CB 3.47Å; Y104-D369 WeakPolarHBondContact CD2-OD1 3.05Å; Y104-D369 WeakPolarHBondContact CD2-OD2 3.47Å; Y104-D369 HydrophobicContact CE2-CB 3.51Å; Y104-D369 HydrophobicContact CG-CB 4Å; Y104-D369 PolarHBondContact N-OD2 3.38Å; H107-D369 IonicContact CE1-OD1 2.85Å; H107-D369 PolarHBondContact CE1-OD1 2.74Å; H107-D369 VanDerWaalsContact CE1-OD1 3.29Å; H107-D369 IonicContact CE1-OD2 2.74Å; H107-D369 PolarHBondContact CE1-OD2 3.32Å; H107-D369 IonicContact ND1-OD1 2.8Å; H107-D369 IonicContact ND1-OD2 3.38Å; H107-D369 PolarHBondContact ND1-OD2 2.85Å; D369-R385 PolarHBondContact O-NH2 2.83Å
370	G	97.9	Very high	95.8	Very high	8 Å²	8	48.2 Å²	48.2	8%	0.082	28%	0.278	C	S	.	.			trans	-80.1	161.6	173.3	0	0	0	0	0	113.6	G102 T348 D349	G102-G370 PolarHBondContact O-N 2.8Å; G102-G370 VanDerWaalsContact O-N 3.11Å; T348-G370 WeakPolarHBondContact O-CA 3.48Å; D349-G370 WeakPolarHBondContact OD1-CA 3.27Å
371	H	98.2	Very high	95.9	Very high	76 Å²	76	53.3 Å²	53.3	35%	0.352	30%	0.296	S	S	.	.			trans	-123.6	151.2	167.4	-56	-79.7	0	0	0	110.4	D349 P352 T353 V373 P384	D349-H371 WeakPolarHBondContact CA-O 3.48Å; D349-H371 VanDerWaalsContact CB-O 3.29Å; D349-H371 WeakPolarHBondContact CB-O 3.27Å; D349-H371 IonicContact OD1-CD2 3.44Å; D349-H371 PolarHBondContact OD1-N 3.24Å; P352-H371 VanDerWaalsContact CG-C 3.46Å; T353-H371 PolarHBondContact OG1-O 2.99Å; H371-V373 PolarHBondContact O-N 3.16Å; H371-V373 VanDerWaalsContact O-N 3.13Å; H371-P384 HydrophobicContact CB-CB 4.13Å; H371-P384 HydrophobicContact CB-CG 3.64Å
372	N	98.4	Very high	96.2	Very high	77 Å²	77	57.3 Å²	57.3	41%	0.412	31%	0.312	S	S	.	.			trans	-71.5	107	170.3	-177.2	-14	0	0	0	109.8	T353 W374	T353-N372 WeakPolarHBondContact OG1-CA 3.36Å; N372-W374 WeakPolarHBondContact OD1-CB 3Å; N372-W374 PolarHBondContact OD1-N 3.4Å
373	V	98.6	Very high	96.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.282	C	S	.	.			trans	-99.2	7.4	-178	-63.2	0	0	0	0	113.3	V345 D349 T353 H371 A375 A376 I377 P384	V345-V373 HydrophobicContact CG1-CG2 3.94Å; V345-V373 HydrophobicContact CG2-CB 4.32Å; V345-V373 HydrophobicContact CG2-CG1 4.37Å; V345-V373 HydrophobicContact CG2-CG2 4.24Å; D349-V373 HydrophobicContact CB-CG1 3.89Å; D349-V373 HydrophobicContact CB-CG2 3.93Å; T353-V373 HydrophobicContact CG2-CG2 4.33Å; T353-V373 WeakPolarHBondContact OG1-CG2 3.47Å; T353-V373 PolarHBondContact OG1-N 3.48Å; H371-V373 PolarHBondContact O-N 3.16Å; H371-V373 VanDerWaalsContact O-N 3.13Å; V373-A375 VanDerWaalsContact C-N 3.26Å; V373-A375 PolarHBondContact O-N 3.31Å; V373-A376 WeakPolarHBondContact O-CB 3.45Å; V373-A376 PolarHBondContact O-N 3.5Å; V373-I377 HydrophobicContact CG2-CD1 3.7Å; V373-I377 HydrophobicContact CG2-CG1 4.28Å; V373-I377 PolarHBondContact O-N 2.78Å; V373-P384 HydrophobicContact CG1-CG 4.27Å
374	W	98.6	Very high	97	Very high	45 Å²	45	50.5 Å²	50.5	17%	0.17	28%	0.281	C	S	.	.	H	α-helix	trans	-56.2	-40.4	-175.7	-178	-119.3	0	0	0	112.6	V291 V329 L334 T353 L357 N372 A376 I377 S378	V291-W374 HydrophobicContact CG1-CH2 4.17Å; V291-W374 HydrophobicContact CG1-CZ3 3.97Å; V291-W374 HydrophobicContact CG2-CH2 4.08Å; V329-W374 HydrophobicContact CG1-CZ3 4.18Å; L334-W374 HydrophobicContact CD2-CH2 3.79Å; L334-W374 HydrophobicContact CD2-CZ2 4.45Å; L334-W374 HydrophobicContact CD2-CZ3 4.14Å; L334-W374 HydrophobicContact CG-CH2 4.35Å; T353-W374 HydrophobicContact CG2-CB 3.98Å; L357-W374 HydrophobicContact CD1-CD2 4.13Å; L357-W374 HydrophobicContact CD1-CE3 3.88Å; L357-W374 HydrophobicContact CD1-CZ3 4.2Å; L357-W374 HydrophobicContact CD2-CD2 3.83Å; L357-W374 HydrophobicContact CD2-CE3 4.37Å; L357-W374 HydrophobicContact CD2-CG 4.03Å; L357-W374 HydrophobicContact CD2-CZ2 4.16Å; L357-W374 HydrophobicContact CG-CD2 4.27Å; L357-W374 HydrophobicContact CG-CG 4.35Å; N372-W374 WeakPolarHBondContact OD1-CB 3Å; N372-W374 PolarHBondContact OD1-N 3.4Å; W374-A376 VanDerWaalsContact C-N 3.33Å; W374-A376 PolarHBondContact O-N 2.68Å; W374-I377 PolarHBondContact O-N 3.37Å; W374-S378 WeakPolarHBondContact O-CB 3.4Å; W374-S378 PolarHBondContact O-N 2.94Å
375	A	98.4	Very high	97.2	Very high	39 Å²	39	49.2 Å²	49.2	32%	0.322	27%	0.274	S	S	.	.	H	α-helix	trans	-65.7	-35	178.5	0	0	0	0	0	112.6	V373 E379 G380 K381	V373-A375 VanDerWaalsContact C-N 3.26Å; V373-A375 PolarHBondContact O-N 3.31Å; A375-E379 WeakPolarHBondContact O-CA 3.31Å; A375-E379 VanDerWaalsContact O-CB 3.24Å; A375-E379 WeakPolarHBondContact O-CB 3.39Å; A375-E379 PolarHBondContact O-N 3.13Å; A375-G380 PolarHBondContact O-N 2.84Å; A375-K381 HydrophobicContact CB-CD 4.05Å; A375-K381 PolarHBondContact O-N 2.8Å
376	A	98.4	Very high	97.4	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-70.2	-39.4	175.4	0	0	0	0	0	111.8	A343 V373 W374 G380 K381	A343-A376 HydrophobicContact CB-CB 3.96Å; V373-A376 WeakPolarHBondContact O-CB 3.45Å; V373-A376 PolarHBondContact O-N 3.5Å; W374-A376 VanDerWaalsContact C-N 3.33Å; W374-A376 PolarHBondContact O-N 2.68Å; A376-G380 VanDerWaalsContact O-CA 3.27Å; A376-G380 WeakPolarHBondContact O-CA 3.38Å; A376-G380 PolarHBondContact O-N 2.61Å; A376-K381 WeakPolarHBondContact CA-O 3.38Å; A376-K381 WeakPolarHBondContact CB-O 3.16Å
377	I	98.6	Very high	97.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-72	-57.1	177.6	-63.3	175.7	0	0	0	111.2	V81 L83 V329 L334 W350 V373 W374	V81-I377 HydrophobicContact CB-CG2 4.34Å; V81-I377 HydrophobicContact CG1-CG2 4.32Å; L83-I377 HydrophobicContact CD2-CD1 4.42Å; L83-I377 HydrophobicContact CD2-CG1 4.2Å; V329-I377 HydrophobicContact CB-CG2 4.01Å; V329-I377 HydrophobicContact CG1-CG2 4.31Å; V329-I377 HydrophobicContact CG2-CD1 4.28Å; V329-I377 HydrophobicContact CG2-CG2 3.97Å; L334-I377 HydrophobicContact CD2-CG2 4.04Å; W350-I377 HydrophobicContact CH2-CD1 3.74Å; W350-I377 HydrophobicContact CZ3-CD1 3.87Å; V373-I377 HydrophobicContact CG2-CD1 3.7Å; V373-I377 HydrophobicContact CG2-CG1 4.28Å; V373-I377 PolarHBondContact O-N 2.78Å; W374-I377 PolarHBondContact O-N 3.37Å
378	S	98.6	Very high	98.1	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.007	23%	0.233	C	C	.	.	H	α-helix	trans	-75.1	-35.8	-171.3	-173.6	0	0	0	0	113.3	L334 R335 K336 W374	L334-S378 WeakPolarHBondContact CA-OG 3.1Å; R335-S378 CarbonylContact C-O 3.58Å; R335-S378 PolarHBondContact N-O 3.32Å; R335-S378 PolarHBondContact N-OG 3.47Å; K336-S378 PolarHBondContact N-O 3.3Å; W374-S378 WeakPolarHBondContact O-CB 3.4Å; W374-S378 PolarHBondContact O-N 2.94Å
379	E	98.3	Very high	98.2	Very high	36 Å²	36	42.8 Å²	42.8	17%	0.168	23%	0.225	C	C	.	.	H	α-helix	trans	-109.5	-9.3	-173.7	-40.6	-166.4	152.5	0	0	113.4	R335 K336 A375 K381	R335-E379 VanDerWaalsContact CD-OE1 3.27Å; R335-E379 WeakPolarHBondContact CD-OE1 3.13Å; R335-E379 IonicContact CZ-OE1 2.98Å; R335-E379 IonicContact NE-OE1 3.08Å; R335-E379 IonicContact NH1-OE1 3.91Å; R335-E379 PolarHBondContact NH1-OE1 2.78Å; R335-E379 IonicContact NH1-OE2 3.62Å; K336-E379 VanDerWaalsContact CD-O 3.25Å; K336-E379 WeakPolarHBondContact CD-O 3.27Å; K336-E379 WeakPolarHBondContact CE-O 3.45Å; K336-E379 PolarHBondContact NZ-O 2.73Å; A375-E379 WeakPolarHBondContact O-CA 3.31Å; A375-E379 VanDerWaalsContact O-CB 3.24Å; A375-E379 WeakPolarHBondContact O-CB 3.39Å; A375-E379 PolarHBondContact O-N 3.13Å; E379-K381 VanDerWaalsContact C-N 3.29Å; E379-K381 HydrophobicContact CB-CD 4.45Å; E379-K381 HydrophobicContact CB-CG 4.35Å; E379-K381 WeakPolarHBondContact OE2-CD 3.33Å; E379-K381 WeakPolarHBondContact OE2-CE 3.45Å; E379-K381 IonicContact OE2-NZ 2.69Å; E379-K381 PolarHBondContact OE2-NZ 3.14Å
380	G	97.6	Very high	98.2	Very high	32 Å²	32	41.5 Å²	41.5	33%	0.33	22%	0.218	S	C	.	.			trans	66.2	29.4	-173.3	0	0	0	0	0	113.6	A375 A376	A375-G380 PolarHBondContact O-N 2.84Å; A376-G380 VanDerWaalsContact O-CA 3.27Å; A376-G380 WeakPolarHBondContact O-CA 3.38Å; A376-G380 PolarHBondContact O-N 2.61Å
381	K	98	Very high	98.2	Very high	123 Å²	123	41.3 Å²	41.3	54%	0.535	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-70.5	167.7	168.1	-78.5	170	169.8	161	0	110.8	A375 A376 E379	A375-K381 HydrophobicContact CB-CD 4.05Å; A375-K381 PolarHBondContact O-N 2.8Å; A376-K381 WeakPolarHBondContact CA-O 3.38Å; A376-K381 WeakPolarHBondContact CB-O 3.16Å; E379-K381 VanDerWaalsContact C-N 3.29Å; E379-K381 HydrophobicContact CB-CD 4.45Å; E379-K381 HydrophobicContact CB-CG 4.35Å; E379-K381 WeakPolarHBondContact OE2-CD 3.33Å; E379-K381 WeakPolarHBondContact OE2-CE 3.45Å; E379-K381 IonicContact OE2-NZ 2.69Å; E379-K381 PolarHBondContact OE2-NZ 3.14Å
382	E	97	Very high	98.2	Very high	184 Å²	184	37.8 Å²	37.8	86%	0.86	20%	0.199	S	C	*	.	P	Polyproline II helix	trans	-62.1	152	170.4	-61.5	-169.2	149.7	0	0	110.9
383	S	98.1	Very high	98.1	Very high	26 Å²	26	34.4 Å²	34.4	18%	0.182	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-75.4	138	175.3	-166.2	0	0	0	0	110.1	L344 R385	L344-S383 VanDerWaalsContact O-CB 3.3Å; L344-S383 WeakPolarHBondContact O-CB 3.24Å; L344-S383 PolarHBondContact O-OG 3Å; S383-R385 PolarHBondContact O-N 3.41Å; S383-R385 WeakPolarHBondContact OG-CB 3.47Å; S383-R385 PolarHBondContact OG-N 3.02Å; S383-R385 VanDerWaalsContact OG-N 3.15Å
384	P	97.8	Very high	97.8	Very high	75 Å²	75	37.3 Å²	37.3	49%	0.487	20%	0.2	S	C	.	.	S	Bend	trans	-63.5	-20.4	164.3	28.7	-36.2	0	0	0	112.3	H371 V373	H371-P384 HydrophobicContact CB-CB 4.13Å; H371-P384 HydrophobicContact CB-CG 3.64Å; V373-P384 HydrophobicContact CG1-CG 4.27Å
385	R	97.9	Very high	97.2	Very high	6 Å²	6	39.7 Å²	39.7	2%	0.023	22%	0.215	C	C	.	.			trans	-82.5	119.2	177.7	-179.6	174.4	-75.2	-72.7	-2.1	111.2	Y104 L344 T348 D349 D369 S383 E387 I388	Y104-R385 PolarHBondContact OH-NH1 3.26Å; L344-R385 HydrophobicContact CD2-CG 4.1Å; L344-R385 HydrophobicContact CG-CG 3.95Å; T348-R385 PolarHBondContact OG1-NH2 2.75Å; T348-R385 VanDerWaalsContact OG1-NH2 3.11Å; D349-R385 VanDerWaalsContact CG-NE 3.3Å; D349-R385 IonicContact OD1-CZ 2.68Å; D349-R385 VanDerWaalsContact OD1-CZ 3.24Å; D349-R385 IonicContact OD1-NE 2.65Å; D349-R385 PolarHBondContact OD1-NE 3.45Å; D349-R385 IonicContact OD1-NH2 3.82Å; D349-R385 PolarHBondContact OD1-NH2 2.86Å; D349-R385 WeakPolarHBondContact OD2-CD 3.4Å; D349-R385 IonicContact OD2-CZ 2.92Å; D349-R385 IonicContact OD2-NE 3.12Å; D349-R385 PolarHBondContact OD2-NE 3.33Å; D349-R385 IonicContact OD2-NH2 2.91Å; D369-R385 PolarHBondContact O-NH2 2.83Å; S383-R385 PolarHBondContact O-N 3.41Å; S383-R385 WeakPolarHBondContact OG-CB 3.47Å; S383-R385 PolarHBondContact OG-N 3.02Å; S383-R385 VanDerWaalsContact OG-N 3.15Å; R385-E387 WeakPolarHBondContact CG-O 3.47Å; R385-E387 PolarHBondContact NH1-O 2.77Å; R385-I388 HydrophobicContact CG-CG1 4.4Å
386	F	97.1	Very high	95.9	Very high	112 Å²	112	40.9 Å²	40.9	49%	0.491	21%	0.211	S	C	.	.			trans	-104.8	-25	170.6	-170.2	-86.5	0	0	0	113.4	A421 G422 M563	F386-A421 HydrophobicContact CE1-CB 4.24Å; F386-G422 VanDerWaalsContact CE1-N 3.3Å; F386-G422 VanDerWaalsContact CZ-CA 3.48Å; F386-G422 PolarHBondContact O-N 2.89Å; F386-M563 HydrophobicContact CD1-CE 4.45Å; F386-M563 HydrophobicContact CE1-CE 3.38Å; F386-M563 HydrophobicContact CE1-SD 4.38Å; F386-M563 HydrophobicContact CZ-CE 3.64Å
387	E	98.3	Very high	94.1	Very high	28 Å²	28	45.7 Å²	45.7	13%	0.131	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	148.3	-172	-167.9	174.8	63.5	0	0	111.5	R385 I419 R420 A421 R491 Y495	R385-E387 WeakPolarHBondContact CG-O 3.47Å; R385-E387 PolarHBondContact NH1-O 2.77Å; E387-I419 HydrophobicContact CG-CD1 4.17Å; E387-I419 HydrophobicContact CG-CG1 4.27Å; E387-R420 CarbonylContact C-O 3.5Å; E387-R420 VanDerWaalsContact CA-O 3.31Å; E387-R420 WeakPolarHBondContact CA-O 3.34Å; E387-R420 WeakPolarHBondContact CG-O 3.31Å; E387-A421 HydrophobicContact CB-CB 4.45Å; E387-A421 HydrophobicContact CG-CB 3.99Å; E387-R491 IonicContact OE1-CZ 2.71Å; E387-R491 IonicContact OE1-NE 3.75Å; E387-R491 PolarHBondContact OE1-NE 2.67Å; E387-R491 IonicContact OE1-NH2 3.8Å; E387-R491 PolarHBondContact OE1-NH2 2.87Å; E387-R491 WeakPolarHBondContact OE2-CG 3.07Å; E387-R491 IonicContact OE2-CZ 3.32Å; E387-R491 IonicContact OE2-NE 3.75Å; E387-R491 PolarHBondContact OE2-NE 2.93Å; E387-R491 IonicContact OE2-NH2 3.41Å; E387-Y495 HydrophobicContact CG-CE2 4.39Å; E387-Y495 VanDerWaalsContact OE1-CE2 3.31Å; E387-Y495 WeakPolarHBondContact OE1-CE2 3.48Å; E387-Y495 PolarHBondContact OE1-OH 3.23Å
388	I	98.7	Very high	92.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	121.3	171.5	-65.6	177.7	0	0	0	107.5	Y87 L344 H346 R385 I419 R420	Y87-I388 HydrophobicContact CD2-CD1 3.78Å; Y87-I388 HydrophobicContact CG-CD1 3.92Å; L344-I388 HydrophobicContact CD1-CD1 3.5Å; L344-I388 VanDerWaalsContact CD1-CD1 3.5Å; L344-I388 HydrophobicContact CD1-CG1 4.32Å; L344-I388 HydrophobicContact CD2-CD1 4.47Å; L344-I388 HydrophobicContact CD2-CG1 4.44Å; L344-I388 HydrophobicContact CG-CD1 4.11Å; L344-I388 HydrophobicContact CG-CG1 4.49Å; H346-I388 HydrophobicContact CB-CD1 3.76Å; H346-I388 HydrophobicContact CB-CG1 4.11Å; R385-I388 HydrophobicContact CG-CG1 4.4Å; I388-I419 CarbonylContact O-C 3.52Å; I388-I419 WeakPolarHBondContact O-CA 2.96Å; I388-I419 WeakPolarHBondContact O-CG1 3.23Å; I388-R420 PolarHBondContact N-O 2.93Å; I388-R420 PolarHBondContact O-N 2.74Å
389	L	98.8	Very high	90.1	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	119.9	155	-174.1	70.8	0	0	0	107.2	Y104 I106 I392 I419 L492 Y495	Y104-L389 HydrophobicContact CD2-CB 4.36Å; Y104-L389 HydrophobicContact CE1-CB 4.36Å; Y104-L389 WeakPolarHBondContact CE1-O 3.22Å; Y104-L389 HydrophobicContact CE2-CB 4.11Å; Y104-L389 PolarHBondContact OH-N 2.92Å; I106-L389 HydrophobicContact CD1-CD2 3.59Å; I106-L389 HydrophobicContact CG1-CD2 3.91Å; I106-L389 HydrophobicContact CG2-CD2 3.93Å; L389-I392 HydrophobicContact CD1-CD1 4.05Å; L389-I392 HydrophobicContact CD1-CG1 3.91Å; L389-I392 HydrophobicContact CD2-CD1 4.07Å; L389-I392 HydrophobicContact CD2-CG1 4.13Å; L389-I392 HydrophobicContact CG-CG1 4.45Å; L389-I419 HydrophobicContact CD1-CB 4.28Å; L389-I419 HydrophobicContact CD1-CG1 4.5Å; L389-L492 HydrophobicContact CD1-CD2 3.58Å; L389-Y495 HydrophobicContact CB-CD1 4.28Å; L389-Y495 HydrophobicContact CB-CD2 4.11Å; L389-Y495 HydrophobicContact CB-CE1 4.23Å; L389-Y495 HydrophobicContact CB-CE2 4.04Å; L389-Y495 HydrophobicContact CB-CG 4.22Å; L389-Y495 HydrophobicContact CD1-CD2 3.94Å; L389-Y495 HydrophobicContact CD1-CG 4.15Å; L389-Y495 HydrophobicContact CD2-CD1 3.97Å; L389-Y495 HydrophobicContact CD2-CD2 4.38Å; L389-Y495 HydrophobicContact CD2-CG 3.8Å; L389-Y495 HydrophobicContact CG-CD2 4.37Å; L389-Y495 HydrophobicContact CG-CG 4.28Å
390	H	98.6	Very high	88.4	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	-67.9	170.6	-64.6	-68.8	0	0	0	107.6	Y87 Q89 S418	Y87-H390 AromaticContact CD1-CE1 3.51Å; Q89-H390 VanDerWaalsContact CD-O 3.27Å; Q89-H390 PolarHBondContact NE2-O 3.14Å; Q89-H390 PolarHBondContact OE1-O 3.21Å; H390-S418 WeakPolarHBondContact CB-O 3.36Å; H390-S418 PolarHBondContact CD2-OG 3.48Å; H390-S418 VanDerWaalsContact CD2-OG 3.31Å; H390-S418 PolarHBondContact N-O 3.25Å
391	N	98.6	Very high	87.2	Confident	5 Å²	5	64 Å²	64	3%	0.027	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	168.6	173.2	-167.1	28	0	0	0	111.8	Q111 Y318 A417 S418	Q111-N391 PolarHBondContact O-ND2 2.9Å; Y318-N391 HydrophobicContact CE2-CB 4.08Å; Y318-N391 PolarHBondContact OH-ND2 2.68Å; N391-A417 VanDerWaalsContact O-CA 3.29Å; N391-A417 WeakPolarHBondContact O-CA 3.37Å; N391-S418 PolarHBondContact N-O 2.89Å; N391-S418 PolarHBondContact O-N 3.45Å; N391-S418 VanDerWaalsContact O-N 3.13Å
392	I	98	Very high	86.5	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.01	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	104.7	166.7	-58	173.8	0	0	0	107	I106 Q111 L389 P394 W411 I415 A417 L492 N496	I106-I392 HydrophobicContact CG2-CB 4.13Å; I106-I392 HydrophobicContact CG2-CG1 4.44Å; Q111-I392 WeakPolarHBondContact CB-O 3.41Å; Q111-I392 WeakPolarHBondContact CG-O 3.45Å; L389-I392 HydrophobicContact CD1-CD1 4.05Å; L389-I392 HydrophobicContact CD1-CG1 3.91Å; L389-I392 HydrophobicContact CD2-CD1 4.07Å; L389-I392 HydrophobicContact CD2-CG1 4.13Å; L389-I392 HydrophobicContact CG-CG1 4.45Å; I392-P394 WeakPolarHBondContact O-CD 3.32Å; I392-W411 HydrophobicContact CD1-CH2 4.02Å; I392-W411 HydrophobicContact CG1-CH2 4.37Å; I392-W411 HydrophobicContact CG2-CH2 3.74Å; I392-W411 HydrophobicContact CG2-CZ2 4.13Å; I392-I415 HydrophobicContact CG2-CG2 3.94Å; I392-A417 HydrophobicContact CG1-CB 4.21Å; I392-L492 HydrophobicContact CD1-CD2 4.38Å; I392-L492 HydrophobicContact CG1-CD2 4.3Å; I392-N496 HydrophobicContact CD1-CB 4Å
393	D	96.3	Very high	86.2	Confident	5 Å²	5	51.9 Å²	51.9	3%	0.027	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	102.8	176.4	-172.7	-17.3	0	0	0	110.3	H112 L395 Y396 Q416	H112-D393 WeakPolarHBondContact CA-OD2 3.21Å; H112-D393 IonicContact CE1-OD2 2.75Å; H112-D393 IonicContact CG-OD1 3.67Å; H112-D393 IonicContact CG-OD2 3.65Å; H112-D393 IonicContact ND1-OD1 3.67Å; H112-D393 PolarHBondContact ND1-OD1 3.2Å; H112-D393 IonicContact ND1-OD2 3.53Å; H112-D393 PolarHBondContact ND1-OD2 2.99Å; D393-L395 VanDerWaalsContact C-N 3.33Å; D393-L395 WeakPolarHBondContact OD1-CA 3.38Å; D393-L395 PolarHBondContact OD1-N 3Å; D393-Y396 PolarHBondContact OD1-N 3.06Å; D393-Q416 HydrophobicContact CB-CB 4.44Å; D393-Q416 PolarHBondContact N-O 3.04Å; D393-Q416 PolarHBondContact O-N 2.72Å
394	P	91.5	Very high	85.8	Confident	62 Å²	62	55.1 Å²	55.1	40%	0.403	27%	0.271	S	S	.	.	S	Bend	trans	-79.6	-12.6	177.5	33.8	-36.1	0	0	0	113.6	I392 V502	I392-P394 WeakPolarHBondContact O-CD 3.32Å; P394-V502 HydrophobicContact CG-CG2 3.64Å
395	L	87.3	Confident	85.5	Confident	94 Å²	94	59.9 Å²	59.9	49%	0.492	29%	0.287	S	S	.	.	S	Bend	trans	-87	-27.6	179.2	-58.3	-172.6	0	0	0	111.5	H112 D393 N397 V502	H112-L395 HydrophobicContact CB-CB 4.45Å; H112-L395 HydrophobicContact CB-CD1 4.03Å; D393-L395 VanDerWaalsContact C-N 3.33Å; D393-L395 WeakPolarHBondContact OD1-CA 3.38Å; D393-L395 PolarHBondContact OD1-N 3Å; L395-N397 VanDerWaalsContact C-N 3.26Å; L395-N397 PolarHBondContact O-N 3.37Å; L395-V502 HydrophobicContact CD1-CB 4.13Å; L395-V502 HydrophobicContact CD1-CG1 3.72Å; L395-V502 HydrophobicContact CG-CB 4.44Å; L395-V502 HydrophobicContact CG-CG1 4.34Å; L395-V502 HydrophobicContact CG-CG2 4.4Å
396	Y	71.6	Confident	85	Confident	64 Å²	64	64.4 Å²	64.4	25%	0.251	31%	0.307	S	S	.	.			trans	-76.9	69.2	174.9	-156.4	-90.9	0	0	0	112.8	D393 Y398 Q416 D430	D393-Y396 PolarHBondContact OD1-N 3.06Å; Y396-Y398 AromaticContact CD1-CD2 3.99Å; Y396-Y398 HydrophobicContact CD1-CD2 3.99Å; Y396-Y398 HydrophobicContact CD2-CD2 4.04Å; Y396-Y398 HydrophobicContact CD2-CE2 4.18Å; Y396-Y398 AromaticContact CE1-CD2 3.65Å; Y396-Y398 HydrophobicContact CE1-CD2 3.65Å; Y396-Y398 HydrophobicContact CE1-CG 4.35Å; Y396-Y398 AromaticContact CE2-CD2 3.7Å; Y396-Y398 HydrophobicContact CE2-CD2 3.7Å; Y396-Y398 AromaticContact CE2-CE2 3.78Å; Y396-Y398 HydrophobicContact CE2-CE2 3.78Å; Y396-Y398 HydrophobicContact CG-CD2 4.18Å; Y396-Y398 AromaticContact CZ-CD2 3.5Å; Y396-Y398 VanDerWaalsContact CZ-CD2 3.5Å; Y396-Y398 AromaticContact CZ-CE2 3.98Å; Y396-Y398 PolarHBondContact O-N 3.4Å; Y396-Q416 HydrophobicContact CD1-CB 4.18Å; Y396-Q416 HydrophobicContact CD1-CG 4.32Å; Y396-Q416 VanDerWaalsContact CD1-NE2 3.35Å; Y396-D430 HydrophobicContact CE1-CB 4.12Å
397	N	59.8	Low	84.8	Confident	102 Å²	102	59 Å²	59	55%	0.545	28%	0.283	S	S	.	.			trans	-97.6	43.2	-174.5	-164.4	15.7	0	0	0	113.9	L395 A399	L395-N397 VanDerWaalsContact C-N 3.26Å; L395-N397 PolarHBondContact O-N 3.37Å; N397-A399 PolarHBondContact O-N 3.18Å
398	Y	55.8	Low	84.7	Confident	161 Å²	161	62 Å²	62	63%	0.631	30%	0.296	S	S	*	.			trans	-73.6	-14.5	175.9	-76.7	-80.9	0	0	0	113.5	Y396 R400	Y396-Y398 AromaticContact CD1-CD2 3.99Å; Y396-Y398 HydrophobicContact CD1-CD2 3.99Å; Y396-Y398 HydrophobicContact CD2-CD2 4.04Å; Y396-Y398 HydrophobicContact CD2-CE2 4.18Å; Y396-Y398 AromaticContact CE1-CD2 3.65Å; Y396-Y398 HydrophobicContact CE1-CD2 3.65Å; Y396-Y398 HydrophobicContact CE1-CG 4.35Å; Y396-Y398 AromaticContact CE2-CD2 3.7Å; Y396-Y398 HydrophobicContact CE2-CD2 3.7Å; Y396-Y398 AromaticContact CE2-CE2 3.78Å; Y396-Y398 HydrophobicContact CE2-CE2 3.78Å; Y396-Y398 HydrophobicContact CG-CD2 4.18Å; Y396-Y398 AromaticContact CZ-CD2 3.5Å; Y396-Y398 VanDerWaalsContact CZ-CD2 3.5Å; Y396-Y398 AromaticContact CZ-CE2 3.98Å; Y396-Y398 PolarHBondContact O-N 3.4Å; Y398-R400 VanDerWaalsContact C-N 3.31Å; Y398-R400 PolarHBondContact O-N 3.03Å
399	A	56.6	Low	84.6	Confident	10 Å²	10	64.3 Å²	64.3	8%	0.083	32%	0.32	C	S	.	.			trans	-76.6	74.8	179.7	0	0	0	0	0	112.6	N397 T401 G402 G429 D430	N397-A399 PolarHBondContact O-N 3.18Å; A399-T401 PolarHBondContact O-N 2.8Å; A399-G402 PolarHBondContact O-N 2.91Å; A399-G429 VanDerWaalsContact CB-C 3.45Å; A399-D430 HydrophobicContact CB-CB 4.35Å
400	R	62.5	Low	84.5	Confident	239 Å²	239	67.7 Å²	67.7	90%	0.902	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	0.7	178.8	-61.8	-176.4	180	-177.4	-0.6	116.2	Y398	Y398-R400 VanDerWaalsContact C-N 3.31Å; Y398-R400 PolarHBondContact O-N 3.03Å
401	T	73.8	Confident	84.4	Confident	43 Å²	43	67.9 Å²	67.9	26%	0.264	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.3	-0.2	-169.3	66.7	0	0	0	0	114.7	A399 K406 R459	A399-T401 PolarHBondContact O-N 2.8Å; T401-K406 WeakPolarHBondContact O-CE 3.41Å; T401-K406 PolarHBondContact O-NZ 3.4Å; T401-R459 HydrophobicContact CG2-CB 4.31Å; T401-R459 HydrophobicContact CG2-CG 4.18Å; T401-R459 WeakPolarHBondContact OG1-CA 3.46Å; T401-R459 PolarHBondContact OG1-O 3.27Å
402	G	83.1	Confident	84.2	Confident	16 Å²	16	70.6 Å²	70.6	17%	0.165	35%	0.352	C	S	.	.			trans	-76.9	158.8	169.7	0	0	0	0	0	112.1	A399 T413 S461	A399-G402 PolarHBondContact O-N 2.91Å; G402-T413 VanDerWaalsContact CA-OG1 3.27Å; G402-T413 WeakPolarHBondContact CA-OG1 3.45Å; G402-S461 WeakPolarHBondContact CA-OG 3.48Å
403	S	89.4	Confident	84	Confident	38 Å²	38	70.5 Å²	70.5	27%	0.266	35%	0.352	S	S	.	.			trans	-158.6	164.7	176.7	76.6	0	0	0	0	112.9	Q405 K406 G407 N412 T413	S403-Q405 VanDerWaalsContact C-N 3.27Å; S403-Q405 PolarHBondContact O-N 3.11Å; S403-Q405 PolarHBondContact OG-N 3.13Å; S403-K406 PolarHBondContact O-N 3.48Å; S403-K406 PolarHBondContact OG-N 2.9Å; S403-K406 VanDerWaalsContact OG-N 3.1Å; S403-G407 PolarHBondContact O-N 3.08Å; S403-N412 WeakPolarHBondContact CA-OD1 3.28Å; S403-T413 PolarHBondContact N-OG1 2.87Å; S403-T413 VanDerWaalsContact N-OG1 3.07Å; S403-T413 PolarHBondContact O-N 3.12Å; S403-T413 PolarHBondContact O-OG1 3.09Å
404	L	91.3	Very high	83.8	Confident	94 Å²	94	70.5 Å²	70.5	49%	0.492	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-34.3	171.7	-173.8	61.6	0	0	0	112.2	G407 G409 W411	L404-G407 CarbonylContact O-C 3.54Å; L404-G407 PolarHBondContact O-N 3.33Å; L404-G409 WeakPolarHBondContact O-CA 3.31Å; L404-G409 PolarHBondContact O-N 3.03Å; L404-W411 WeakPolarHBondContact CA-O 3.38Å
405	Q	90.6	Very high	83.9	Confident	175 Å²	175	69.1 Å²	69.1	82%	0.818	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-40.5	178.1	-169.3	177.3	9.7	0	0	111.7	S403 G407 F408	S403-Q405 VanDerWaalsContact C-N 3.27Å; S403-Q405 PolarHBondContact O-N 3.11Å; S403-Q405 PolarHBondContact OG-N 3.13Å; Q405-G407 VanDerWaalsContact C-N 3.25Å; Q405-G407 PolarHBondContact O-N 3.05Å; Q405-F408 PolarHBondContact O-N 3.25Å
406	K	88.3	Confident	84.3	Confident	100 Å²	100	65.1 Å²	65.1	44%	0.435	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-31.1	172.8	-76.8	-176.8	175.3	-179.7	0	112.3	T401 S403 F408 T413 R459	T401-K406 WeakPolarHBondContact O-CE 3.41Å; T401-K406 PolarHBondContact O-NZ 3.4Å; S403-K406 PolarHBondContact O-N 3.48Å; S403-K406 PolarHBondContact OG-N 2.9Å; S403-K406 VanDerWaalsContact OG-N 3.1Å; K406-F408 VanDerWaalsContact C-N 3.28Å; K406-F408 PolarHBondContact O-N 3.19Å; K406-T413 HydrophobicContact CB-CG2 4.17Å; K406-R459 PolarHBondContact NZ-O 3.17Å
407	G	92.9	Very high	85.5	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	38	172.6	0	0	0	0	0	113.9	S403 L404 Q405 G409 I410 W411	S403-G407 PolarHBondContact O-N 3.08Å; L404-G407 CarbonylContact O-C 3.54Å; L404-G407 PolarHBondContact O-N 3.33Å; Q405-G407 VanDerWaalsContact C-N 3.25Å; Q405-G407 PolarHBondContact O-N 3.05Å; G407-G409 PolarHBondContact O-N 2.92Å; G407-I410 WeakPolarHBondContact O-CG1 3.43Å; G407-I410 PolarHBondContact O-N 3.19Å; G407-W411 VanDerWaalsContact CA-O 3.31Å; G407-W411 WeakPolarHBondContact CA-O 3.34Å; G407-W411 PolarHBondContact O-N 2.91Å; G407-W411 VanDerWaalsContact O-N 3.16Å
408	F	95.6	Very high	87.3	Confident	89 Å²	89	57.2 Å²	57.2	39%	0.39	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	27.7	174.2	-54.1	-88.4	0	0	0	115.6	Q405 K406 I410 P482 V485 K486 L489	Q405-F408 PolarHBondContact O-N 3.25Å; K406-F408 VanDerWaalsContact C-N 3.28Å; K406-F408 PolarHBondContact O-N 3.19Å; F408-I410 HydrophobicContact CB-CG1 4.47Å; F408-I410 PolarHBondContact O-N 3.11Å; F408-P482 HydrophobicContact CE1-CB 4.47Å; F408-P482 HydrophobicContact CZ-CB 3.97Å; F408-V485 HydrophobicContact CE2-CB 4.38Å; F408-V485 HydrophobicContact CE2-CG1 3.88Å; F408-K486 HydrophobicContact CB-CD 4.3Å; F408-K486 HydrophobicContact CB-CG 4.32Å; F408-K486 HydrophobicContact CD1-CD 4.27Å; F408-K486 HydrophobicContact CD2-CB 4Å; F408-K486 HydrophobicContact CD2-CG 4.16Å; F408-K486 HydrophobicContact CE2-CB 4.08Å; F408-K486 HydrophobicContact CG-CB 4.37Å; F408-K486 HydrophobicContact CG-CD 4.15Å; F408-K486 HydrophobicContact CG-CG 4.15Å; F408-L489 HydrophobicContact CD2-CD1 3.72Å; F408-L489 HydrophobicContact CE2-CD1 4.03Å
409	G	95.7	Very high	89.4	Confident	50 Å²	50	49.6 Å²	49.6	52%	0.515	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	1.1	-176.7	0	0	0	0	0	114.9	L404 G407	L404-G409 WeakPolarHBondContact O-CA 3.31Å; L404-G409 PolarHBondContact O-N 3.03Å; G407-G409 PolarHBondContact O-N 2.92Å
410	I	96.5	Very high	91.4	Very high	71 Å²	71	49.3 Å²	49.3	36%	0.364	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-29	-174.1	60.5	166.9	0	0	0	114	G407 F408 K486 L489 A490 V493	G407-I410 WeakPolarHBondContact O-CG1 3.43Å; G407-I410 PolarHBondContact O-N 3.19Å; F408-I410 HydrophobicContact CB-CG1 4.47Å; F408-I410 PolarHBondContact O-N 3.11Å; I410-K486 HydrophobicContact CD1-CG 4.3Å; I410-L489 HydrophobicContact CD1-CB 4.08Å; I410-L489 HydrophobicContact CG1-CB 4.47Å; I410-A490 HydrophobicContact CD1-CB 4.02Å; I410-V493 HydrophobicContact CB-CG2 4.41Å; I410-V493 WeakPolarHBondContact O-CG2 3.46Å
411	W	96.5	Very high	93.1	Very high	6 Å²	6	38.2 Å²	38.2	2%	0.023	21%	0.209	C	C	.	.			trans	-135.2	139.6	-178.6	-175.6	-103.2	0	0	0	111	I392 L404 G407 T413 I415 A417 T428 L489 L492 V493 N496	I392-W411 HydrophobicContact CD1-CH2 4.02Å; I392-W411 HydrophobicContact CG1-CH2 4.37Å; I392-W411 HydrophobicContact CG2-CH2 3.74Å; I392-W411 HydrophobicContact CG2-CZ2 4.13Å; L404-W411 WeakPolarHBondContact CA-O 3.38Å; G407-W411 VanDerWaalsContact CA-O 3.31Å; G407-W411 WeakPolarHBondContact CA-O 3.34Å; G407-W411 PolarHBondContact O-N 2.91Å; G407-W411 VanDerWaalsContact O-N 3.16Å; W411-T413 PolarHBondContact O-N 2.99Å; W411-I415 HydrophobicContact CZ2-CB 4.12Å; W411-I415 HydrophobicContact CZ2-CD1 4.38Å; W411-I415 HydrophobicContact CZ2-CG2 3.86Å; W411-A417 HydrophobicContact CZ2-CB 3.9Å; W411-T428 PolarHBondContact NE1-OG1 3.09Å; W411-T428 VanDerWaalsContact NE1-OG1 3.16Å; W411-L489 HydrophobicContact CB-CB 4.16Å; W411-L489 HydrophobicContact CB-CD2 3.85Å; W411-L489 HydrophobicContact CB-CG 4.46Å; W411-L489 VanDerWaalsContact CD1-CD2 3.42Å; W411-L489 HydrophobicContact CG-CD2 3.76Å; W411-L492 HydrophobicContact CD2-CB 4.03Å; W411-L492 HydrophobicContact CD2-CD1 4.36Å; W411-L492 HydrophobicContact CE3-CB 3.9Å; W411-L492 HydrophobicContact CH2-CB 3.98Å; W411-L492 HydrophobicContact CZ2-CB 4.09Å; W411-L492 HydrophobicContact CZ2-CD1 4.06Å; W411-L492 HydrophobicContact CZ3-CB 3.87Å; W411-V493 HydrophobicContact CB-CG2 4.41Å; W411-V493 HydrophobicContact CE3-CG2 3.78Å; W411-N496 HydrophobicContact CH2-CB 4.12Å; W411-N496 HydrophobicContact CZ3-CB 3.74Å
412	N	94.5	Very high	94.1	Very high	61 Å²	61	36.8 Å²	36.8	33%	0.326	20%	0.203	S	C	.	.			trans	-83.3	104.9	171.1	-178.6	11.4	0	0	0	109.8	S403 A414 I415	S403-N412 WeakPolarHBondContact CA-OD1 3.28Å; N412-A414 PolarHBondContact O-N 3.38Å; N412-A414 WeakPolarHBondContact OD1-CB 3.43Å; N412-A414 PolarHBondContact OD1-N 3.1Å; N412-I415 HydrophobicContact CB-CD1 4.08Å; N412-I415 HydrophobicContact CB-CG1 4.3Å; N412-I415 WeakPolarHBondContact O-CB 3.22Å; N412-I415 PolarHBondContact O-N 3.46Å
413	T	94.4	Very high	94.8	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-1.2	-176.8	70.7	0	0	0	0	114.2	G402 S403 K406 W411 I415 G429 S461 V462	G402-T413 VanDerWaalsContact CA-OG1 3.27Å; G402-T413 WeakPolarHBondContact CA-OG1 3.45Å; S403-T413 PolarHBondContact N-OG1 2.87Å; S403-T413 VanDerWaalsContact N-OG1 3.07Å; S403-T413 PolarHBondContact O-N 3.12Å; S403-T413 PolarHBondContact O-OG1 3.09Å; K406-T413 HydrophobicContact CB-CG2 4.17Å; W411-T413 PolarHBondContact O-N 2.99Å; T413-I415 VanDerWaalsContact C-N 3.33Å; T413-G429 VanDerWaalsContact O-CA 3.27Å; T413-G429 WeakPolarHBondContact O-CA 3.34Å; T413-G429 PolarHBondContact O-N 3.23Å; T413-S461 WeakPolarHBondContact O-CB 3.47Å; T413-S461 PolarHBondContact OG1-OG 3.3Å; T413-V462 HydrophobicContact CG2-CG2 3.5Å; T413-V462 VanDerWaalsContact CG2-CG2 3.5Å
414	A	92.4	Very high	95.3	Very high	6 Å²	6	40.9 Å²	40.9	5%	0.05	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-23.3	169.4	0	0	0	0	0	112.9	N412 Q416 G429	N412-A414 PolarHBondContact O-N 3.38Å; N412-A414 WeakPolarHBondContact OD1-CB 3.43Å; N412-A414 PolarHBondContact OD1-N 3.1Å; A414-Q416 PolarHBondContact O-N 3.23Å; A414-G429 WeakPolarHBondContact O-CA 3.18Å
415	I	93.7	Very high	95.6	Very high	33 Å²	33	36.4 Å²	36.4	17%	0.169	19%	0.19	C	C	.	.	S	Bend	trans	-68.1	129.1	178.6	-63.4	172.7	0	0	0	109.4	I392 W411 N412 T413 A417 T428 G429	I392-I415 HydrophobicContact CG2-CG2 3.94Å; W411-I415 HydrophobicContact CZ2-CB 4.12Å; W411-I415 HydrophobicContact CZ2-CD1 4.38Å; W411-I415 HydrophobicContact CZ2-CG2 3.86Å; N412-I415 HydrophobicContact CB-CD1 4.08Å; N412-I415 HydrophobicContact CB-CG1 4.3Å; N412-I415 WeakPolarHBondContact O-CB 3.22Å; N412-I415 PolarHBondContact O-N 3.46Å; T413-I415 VanDerWaalsContact C-N 3.33Å; I415-A417 PolarHBondContact O-N 3.43Å; I415-T428 CarbonylContact O-C 3.41Å; I415-T428 VanDerWaalsContact O-C 3.25Å; I415-T428 PolarHBondContact O-OG1 2.9Å; I415-G429 WeakPolarHBondContact O-CA 3.47Å; I415-G429 PolarHBondContact O-N 3.17Å
416	Q	94.4	Very high	96	Very high	10 Å²	10	28 Å²	28	5%	0.047	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	112.9	172.4	-173.4	-171	62.2	0	0	108.8	Y318 D393 Y396 A414 T428 D430	Y318-Q416 HydrophobicContact CD2-CG 4.13Å; Y318-Q416 HydrophobicContact CE1-CG 4.49Å; Y318-Q416 HydrophobicContact CE2-CG 3.65Å; Y318-Q416 PolarHBondContact OH-OE1 3.09Å; D393-Q416 HydrophobicContact CB-CB 4.44Å; D393-Q416 PolarHBondContact N-O 3.04Å; D393-Q416 PolarHBondContact O-N 2.72Å; Y396-Q416 HydrophobicContact CD1-CB 4.18Å; Y396-Q416 HydrophobicContact CD1-CG 4.32Å; Y396-Q416 VanDerWaalsContact CD1-NE2 3.35Å; A414-Q416 PolarHBondContact O-N 3.23Å; Q416-T428 WeakPolarHBondContact CA-O 3.42Å; Q416-D430 WeakPolarHBondContact CG-O 3.14Å; Q416-D430 PolarHBondContact NE2-O 3.22Å
417	A	97.4	Very high	96.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	153.5	177.8	0	0	0	0	0	110.8	N391 I392 W411 I415 L427 T428 L492	N391-A417 VanDerWaalsContact O-CA 3.29Å; N391-A417 WeakPolarHBondContact O-CA 3.37Å; I392-A417 HydrophobicContact CG1-CB 4.21Å; W411-A417 HydrophobicContact CZ2-CB 3.9Å; I415-A417 PolarHBondContact O-N 3.43Å; A417-L427 CarbonylContact O-C 3.57Å; A417-L427 WeakPolarHBondContact O-CA 3.45Å; A417-T428 PolarHBondContact N-O 3.12Å; A417-T428 VanDerWaalsContact N-O 3.17Å; A417-T428 PolarHBondContact O-N 3.01Å; A417-L492 HydrophobicContact CB-CD1 3.9Å; A417-L492 HydrophobicContact CB-CD2 4.08Å
418	S	98.5	Very high	96.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	143.3	167.1	-177.5	0	0	0	0	111.2	H390 N391 L426	H390-S418 WeakPolarHBondContact CB-O 3.36Å; H390-S418 PolarHBondContact CD2-OG 3.48Å; H390-S418 VanDerWaalsContact CD2-OG 3.31Å; H390-S418 PolarHBondContact N-O 3.25Å; N391-S418 PolarHBondContact N-O 2.89Å; N391-S418 PolarHBondContact O-N 3.45Å; N391-S418 VanDerWaalsContact O-N 3.13Å; S418-L426 VanDerWaalsContact CA-O 3.25Å; S418-L426 WeakPolarHBondContact CA-O 3.44Å; S418-L426 PolarHBondContact OG-O 3.19Å
419	I	98.8	Very high	96.5	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	143.7	179.4	-173.5	176.4	0	0	0	108.8	E387 I388 L389 K425 L426 L488 R491 L492 Y495	E387-I419 HydrophobicContact CG-CD1 4.17Å; E387-I419 HydrophobicContact CG-CG1 4.27Å; I388-I419 CarbonylContact O-C 3.52Å; I388-I419 WeakPolarHBondContact O-CA 2.96Å; I388-I419 WeakPolarHBondContact O-CG1 3.23Å; L389-I419 HydrophobicContact CD1-CB 4.28Å; L389-I419 HydrophobicContact CD1-CG1 4.5Å; I419-K425 WeakPolarHBondContact O-CA 3.47Å; I419-L426 HydrophobicContact CG2-CB 3.93Å; I419-L426 HydrophobicContact CG2-CD2 4.36Å; I419-L426 PolarHBondContact N-O 3.2Å; I419-L426 VanDerWaalsContact N-O 3.07Å; I419-L426 PolarHBondContact O-N 2.93Å; I419-L488 HydrophobicContact CG2-CB 4.23Å; I419-R491 HydrophobicContact CD1-CB 3.44Å; I419-R491 VanDerWaalsContact CD1-CB 3.44Å; I419-R491 HydrophobicContact CD1-CG 4.42Å; I419-L492 HydrophobicContact CB-CD2 3.79Å; I419-L492 HydrophobicContact CB-CG 4.43Å; I419-L492 HydrophobicContact CG2-CD1 4.46Å; I419-L492 HydrophobicContact CG2-CD2 3.81Å; I419-L492 HydrophobicContact CG2-CG 3.91Å; I419-Y495 HydrophobicContact CD1-CD2 4.02Å; I419-Y495 HydrophobicContact CD1-CE2 3.85Å
420	R	98.4	Very high	96.2	Very high	5 Å²	5	17.9 Å²	17.9	2%	0.019	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131.6	168	-177.1	-175.2	169.6	-166.5	4.3	110.2	N85 Y87 L344 E387 I388 G422 W424 K425 V467	N85-R420 PolarHBondContact OD1-NH1 2.74Å; N85-R420 PolarHBondContact OD1-NH2 2.81Å; Y87-R420 VanDerWaalsContact CZ-NH1 3.29Å; Y87-R420 PolarHBondContact OH-NH1 3.04Å; L344-R420 VanDerWaalsContact CD1-NH1 3.27Å; E387-R420 CarbonylContact C-O 3.5Å; E387-R420 VanDerWaalsContact CA-O 3.31Å; E387-R420 WeakPolarHBondContact CA-O 3.34Å; E387-R420 WeakPolarHBondContact CG-O 3.31Å; I388-R420 PolarHBondContact N-O 2.93Å; I388-R420 PolarHBondContact O-N 2.74Å; R420-G422 PolarHBondContact NE-O 3.23Å; R420-G422 PolarHBondContact NH2-O 3.11Å; R420-W424 CarbonylContact C-O 3.52Å; R420-W424 VanDerWaalsContact CA-O 3.25Å; R420-W424 WeakPolarHBondContact CA-O 3.3Å; R420-W424 VanDerWaalsContact CG-O 3.32Å; R420-W424 WeakPolarHBondContact CG-O 3.14Å; R420-K425 HydrophobicContact CB-CB 4.46Å; R420-K425 HydrophobicContact CB-CG 4.43Å; R420-K425 HydrophobicContact CG-CB 4.45Å; R420-V467 HydrophobicContact CG-CG2 4.36Å
421	A	98.2	Very high	95.9	Very high	6 Å²	6	14.6 Å²	14.6	5%	0.05	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	117.3	170.3	0	0	0	0	0	109.7	F386 E387 D423 W424 L488	F386-A421 HydrophobicContact CE1-CB 4.24Å; E387-A421 HydrophobicContact CB-CB 4.45Å; E387-A421 HydrophobicContact CG-CB 3.99Å; A421-D423 PolarHBondContact O-N 3.04Å; A421-W424 PolarHBondContact N-O 3.12Å; A421-W424 PolarHBondContact O-N 2.98Å; A421-L488 HydrophobicContact CB-CD2 3.7Å
422	G	96.3	Very high	95.6	Very high	13 Å²	13	14.6 Å²	14.6	13%	0.134	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	-120.6	-173	0	0	0	0	0	112.1	F386 R420 W424	F386-G422 VanDerWaalsContact CE1-N 3.3Å; F386-G422 VanDerWaalsContact CZ-CA 3.48Å; F386-G422 PolarHBondContact O-N 2.89Å; R420-G422 PolarHBondContact NE-O 3.23Å; R420-G422 PolarHBondContact NH2-O 3.11Å; G422-W424 VanDerWaalsContact C-N 3.35Å
423	D	97.6	Very high	95.2	Very high	84 Å²	84	15.9 Å²	15.9	45%	0.449	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-16.1	179.9	-61.1	-37.6	0	0	0	113.7	A421 N466 V467 S468	A421-D423 PolarHBondContact O-N 3.04Å; D423-N466 CarbonylContact O-C 3.34Å; D423-N466 VanDerWaalsContact O-CA 3.32Å; D423-N466 WeakPolarHBondContact O-CA 3.4Å; D423-V467 WeakPolarHBondContact O-CG2 3.48Å; D423-V467 PolarHBondContact O-N 3Å; D423-S468 WeakPolarHBondContact OD1-CB 3.36Å; D423-S468 PolarHBondContact OD1-OG 2.92Å
424	W	98.7	Very high	94.7	Very high	55 Å²	55	16 Å²	16	21%	0.208	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	136.6	-169.4	-60.8	98.3	0	0	0	113	R420 A421 G422 L464 F465 N466 L477 R481 V484 L488	R420-W424 CarbonylContact C-O 3.52Å; R420-W424 VanDerWaalsContact CA-O 3.25Å; R420-W424 WeakPolarHBondContact CA-O 3.3Å; R420-W424 VanDerWaalsContact CG-O 3.32Å; R420-W424 WeakPolarHBondContact CG-O 3.14Å; A421-W424 PolarHBondContact N-O 3.12Å; A421-W424 PolarHBondContact O-N 2.98Å; G422-W424 VanDerWaalsContact C-N 3.35Å; W424-L464 HydrophobicContact CB-CD1 4.4Å; W424-L464 HydrophobicContact CE3-CD1 4.02Å; W424-L464 HydrophobicContact CE3-CD2 4.02Å; W424-L464 HydrophobicContact CE3-CG 3.93Å; W424-L464 HydrophobicContact CZ3-CD2 4.08Å; W424-L464 HydrophobicContact CZ3-CG 4.27Å; W424-F465 CarbonylContact C-O 3.58Å; W424-F465 WeakPolarHBondContact CA-O 3.39Å; W424-N466 HydrophobicContact CE3-CB 4.1Å; W424-N466 HydrophobicContact CH2-CB 4.16Å; W424-N466 HydrophobicContact CZ3-CB 3.88Å; W424-L477 HydrophobicContact CH2-CD1 4.09Å; W424-L477 HydrophobicContact CZ3-CB 4.46Å; W424-L477 HydrophobicContact CZ3-CD1 3.72Å; W424-R481 HydrophobicContact CH2-CG 4.39Å; W424-V484 HydrophobicContact CB-CG1 4.14Å; W424-V484 HydrophobicContact CD2-CG1 3.81Å; W424-V484 HydrophobicContact CE3-CG1 4.14Å; W424-V484 HydrophobicContact CG-CG1 3.79Å; W424-L488 HydrophobicContact CB-CD1 3.84Å
425	K	98.8	Very high	94.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.9	171.8	-172.7	-177.2	177.6	-169.8	0	110.3	Y318 E320 I419 R420 L427 L464 F465 V467 E473	Y318-K425 VanDerWaalsContact O-CE 3.27Å; Y318-K425 WeakPolarHBondContact O-CE 3.4Å; Y318-K425 PolarHBondContact O-NZ 2.04Å; E320-K425 IonicContact OE1-NZ 3.75Å; E320-K425 PolarHBondContact OE1-NZ 3.44Å; I419-K425 WeakPolarHBondContact O-CA 3.47Å; R420-K425 HydrophobicContact CB-CB 4.46Å; R420-K425 HydrophobicContact CB-CG 4.43Å; R420-K425 HydrophobicContact CG-CB 4.45Å; K425-L427 HydrophobicContact CG-CD1 4.41Å; K425-L464 WeakPolarHBondContact O-CA 3.34Å; K425-F465 PolarHBondContact N-O 3.01Å; K425-F465 PolarHBondContact O-N 2.96Å; K425-V467 HydrophobicContact CB-CG1 3.59Å; K425-V467 HydrophobicContact CB-CG2 4.17Å; K425-V467 HydrophobicContact CD-CG1 3.9Å; K425-V467 HydrophobicContact CG-CG1 4.43Å; K425-E473 WeakPolarHBondContact CD-OE1 3.36Å; K425-E473 WeakPolarHBondContact CE-OE1 3.22Å; K425-E473 IonicContact NZ-OE1 3.35Å; K425-E473 PolarHBondContact NZ-OE1 2.95Å
426	L	98.8	Very high	94.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	140.9	174.6	-175.4	82.8	0	0	0	109.6	S418 I419 T428 V462 W463 L464 V485 L488 L489 L492	S418-L426 VanDerWaalsContact CA-O 3.25Å; S418-L426 WeakPolarHBondContact CA-O 3.44Å; S418-L426 PolarHBondContact OG-O 3.19Å; I419-L426 HydrophobicContact CG2-CB 3.93Å; I419-L426 HydrophobicContact CG2-CD2 4.36Å; I419-L426 PolarHBondContact N-O 3.2Å; I419-L426 VanDerWaalsContact N-O 3.07Å; I419-L426 PolarHBondContact O-N 2.93Å; L426-T428 HydrophobicContact CD2-CG2 4.26Å; L426-V462 HydrophobicContact CD1-CG1 4.01Å; L426-W463 WeakPolarHBondContact CA-O 3.26Å; L426-W463 WeakPolarHBondContact CD1-O 3.49Å; L426-L464 HydrophobicContact CB-CD1 4.48Å; L426-L464 HydrophobicContact CD1-CB 4.45Å; L426-L464 HydrophobicContact CD1-CD1 4.25Å; L426-V485 HydrophobicContact CD1-CB 4.39Å; L426-V485 HydrophobicContact CD1-CG1 4.01Å; L426-V485 HydrophobicContact CD1-CG2 4.25Å; L426-L488 HydrophobicContact CB-CB 3.88Å; L426-L488 HydrophobicContact CB-CD1 3.78Å; L426-L488 HydrophobicContact CB-CG 4.49Å; L426-L488 HydrophobicContact CD2-CB 3.76Å; L426-L488 HydrophobicContact CG-CB 4.29Å; L426-L489 HydrophobicContact CD2-CD2 3.74Å; L426-L489 HydrophobicContact CD2-CG 3.9Å; L426-L492 HydrophobicContact CD2-CD1 3.99Å
427	L	97.6	Very high	93.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139.1	168.3	-49.6	93.6	0	0	0	110	Y318 W319 A417 K425 P431 V462 W463 F465	Y318-L427 WeakPolarHBondContact O-CD2 3.39Å; W319-L427 HydrophobicContact CD2-CD2 4.35Å; W319-L427 HydrophobicContact CE3-CD2 4.01Å; W319-L427 HydrophobicContact CZ3-CD1 4.3Å; W319-L427 HydrophobicContact CZ3-CD2 4.28Å; A417-L427 CarbonylContact O-C 3.57Å; A417-L427 WeakPolarHBondContact O-CA 3.45Å; K425-L427 HydrophobicContact CG-CD1 4.41Å; L427-P431 HydrophobicContact CB-CB 4.38Å; L427-P431 HydrophobicContact CB-CG 3.85Å; L427-P431 HydrophobicContact CD2-CB 3.74Å; L427-P431 HydrophobicContact CD2-CG 4.09Å; L427-V462 WeakPolarHBondContact O-CA 3.4Å; L427-W463 HydrophobicContact CB-CE3 4.45Å; L427-W463 HydrophobicContact CD1-CB 4.15Å; L427-W463 PolarHBondContact N-O 3.47Å; L427-W463 PolarHBondContact O-N 3.43Å; L427-F465 HydrophobicContact CD1-CD2 3.81Å; L427-F465 HydrophobicContact CD1-CE2 3.74Å
428	T	95.9	Very high	93.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	165.1	170.7	70.1	0	0	0	0	112.3	W411 I415 Q416 A417 L426 S461 V462 L489 L492	W411-T428 PolarHBondContact NE1-OG1 3.09Å; W411-T428 VanDerWaalsContact NE1-OG1 3.16Å; I415-T428 CarbonylContact O-C 3.41Å; I415-T428 VanDerWaalsContact O-C 3.25Å; I415-T428 PolarHBondContact O-OG1 2.9Å; Q416-T428 WeakPolarHBondContact CA-O 3.42Å; A417-T428 PolarHBondContact N-O 3.12Å; A417-T428 VanDerWaalsContact N-O 3.17Å; A417-T428 PolarHBondContact O-N 3.01Å; L426-T428 HydrophobicContact CD2-CG2 4.26Å; T428-S461 VanDerWaalsContact CA-O 3.24Å; T428-S461 WeakPolarHBondContact CA-O 3.15Å; T428-V462 HydrophobicContact CG2-CG2 4.47Å; T428-L489 HydrophobicContact CG2-CD2 3.72Å; T428-L492 HydrophobicContact CG2-CD1 4.35Å
429	G	92.4	Very high	92.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	77.4	-134.8	179.9	0	0	0	0	0	112	A399 T413 A414 I415 S461 W463	A399-G429 VanDerWaalsContact CB-C 3.45Å; T413-G429 VanDerWaalsContact O-CA 3.27Å; T413-G429 WeakPolarHBondContact O-CA 3.34Å; T413-G429 PolarHBondContact O-N 3.23Å; A414-G429 WeakPolarHBondContact O-CA 3.18Å; I415-G429 WeakPolarHBondContact O-CA 3.47Å; I415-G429 PolarHBondContact O-N 3.17Å; G429-S461 PolarHBondContact N-O 2.62Å; G429-W463 WeakPolarHBondContact O-CZ3 3.49Å
430	D	90.4	Very high	91.5	Very high	26 Å²	26	20.1 Å²	20.1	14%	0.139	10%	0.103	C	C	.	.			trans	-110.4	100.2	171.3	174.5	2.1	0	0	0	108.1	Y396 A399 Q416 G432 R454	Y396-D430 HydrophobicContact CE1-CB 4.12Å; A399-D430 HydrophobicContact CB-CB 4.35Å; Q416-D430 WeakPolarHBondContact CG-O 3.14Å; Q416-D430 PolarHBondContact NE2-O 3.22Å; D430-G432 PolarHBondContact O-N 2.87Å; D430-G432 PolarHBondContact OD1-N 2.9Å; D430-R454 IonicContact OD1-CZ 3.93Å; D430-R454 IonicContact OD1-NE 3.69Å; D430-R454 IonicContact OD1-NH2 2.8Å; D430-R454 PolarHBondContact OD1-NH2 3.1Å; D430-R454 IonicContact OD2-CZ 3.72Å; D430-R454 IonicContact OD2-NH2 3.26Å; D430-R454 PolarHBondContact OD2-NH2 3.26Å
431	P	91	Very high	90	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.013	13%	0.125	C	C	.	.			trans	-68	-0.8	-177.7	-21.1	34.2	0	0	0	114.6	T317 Y318 W319 L427 W463	T317-P431 CarbonylContact C-O 3.35Å; T317-P431 VanDerWaalsContact CA-O 3.24Å; T317-P431 WeakPolarHBondContact CA-O 3.43Å; T317-P431 WeakPolarHBondContact CB-O 3.2Å; Y318-P431 PolarHBondContact N-O 3.09Å; W319-P431 HydrophobicContact CD2-CB 4.33Å; W319-P431 HydrophobicContact CH2-CB 4.47Å; W319-P431 HydrophobicContact CH2-CG 4.33Å; W319-P431 HydrophobicContact CZ2-CB 3.8Å; W319-P431 HydrophobicContact CZ2-CG 3.94Å; L427-P431 HydrophobicContact CB-CB 4.38Å; L427-P431 HydrophobicContact CB-CG 3.85Å; L427-P431 HydrophobicContact CD2-CB 3.74Å; L427-P431 HydrophobicContact CD2-CG 4.09Å; P431-W463 HydrophobicContact CG-CD2 4.48Å; P431-W463 HydrophobicContact CG-CE3 3.82Å; P431-W463 HydrophobicContact CG-CH2 4.13Å; P431-W463 HydrophobicContact CG-CZ3 3.64Å
432	G	88.8	Confident	88.2	Confident	5 Å²	5	28.7 Å²	28.7	5%	0.052	15%	0.147	C	C	.	.			trans	92.8	-175.2	-172.5	0	0	0	0	0	112.9	W319 D430 G434	W319-G432 PolarHBondContact NE1-O 3.22Å; D430-G432 PolarHBondContact O-N 2.87Å; D430-G432 PolarHBondContact OD1-N 2.9Å; G432-G434 PolarHBondContact O-N 2.79Å; G432-G434 VanDerWaalsContact O-N 3.09Å
433	Y	85.7	Confident	86.5	Confident	88 Å²	88	32.5 Å²	32.5	35%	0.345	17%	0.17	S	C	.	.			trans	-59.9	111.5	-178.4	-67.9	-94.3	0	0	0	111.7	G313 R314 W319 R454	G313-Y433 WeakPolarHBondContact CA-O 3.1Å; R314-Y433 VanDerWaalsContact NH2-CE2 3.31Å; W319-Y433 VanDerWaalsContact CD1-O 3.31Å; Y433-R454 VanDerWaalsContact CZ-NH1 3.26Å
434	G	85.1	Confident	84.7	Confident	3 Å²	3	30.7 Å²	30.7	3%	0.031	17%	0.171	C	C	.	.			trans	-104	33.1	-171.3	0	0	0	0	0	114.9	R312 W319 G432	R312-G434 PolarHBondContact NE-O 2.81Å; R312-G434 PolarHBondContact NH2-O 3.43Å; W319-G434 VanDerWaalsContact CD1-CA 3.48Å; G432-G434 PolarHBondContact O-N 2.79Å; G432-G434 VanDerWaalsContact O-N 3.09Å
435	D	85.9	Confident	82.9	Confident	4 Å²	4	30.7 Å²	30.7	2%	0.021	17%	0.172	C	C	.	.			trans	-84.9	150.6	178.2	-57.3	-73.9	0	0	0	111.3	G313 I437 Y449 S451 L452	G313-D435 PolarHBondContact N-O 3.15Å; D435-I437 HydrophobicContact CB-CG1 4.32Å; D435-I437 PolarHBondContact O-N 3.33Å; D435-Y449 WeakPolarHBondContact CB-O 3.41Å; D435-S451 PolarHBondContact OD2-N 2.78Å; D435-L452 WeakPolarHBondContact OD1-CB 3.39Å; D435-L452 PolarHBondContact OD1-N 3.07Å
436	W	89.8	Confident	81	Confident	50 Å²	50	32.7 Å²	32.7	19%	0.189	19%	0.185	C	C	.	.			trans	-90.6	102.5	168.2	-70	-91.8	0	0	0	108.8	W309 R312 P438 Y472 E473 R474	W309-W436 HydrophobicContact CZ3-CB 3.94Å; R312-W436 HydrophobicContact CB-CD2 4.47Å; R312-W436 HydrophobicContact CB-CZ2 4.29Å; R312-W436 VanDerWaalsContact CD-CZ2 3.4Å; R312-W436 HydrophobicContact CG-CD2 4.03Å; R312-W436 HydrophobicContact CG-CG 4.5Å; R312-W436 HydrophobicContact CG-CH2 4.37Å; R312-W436 HydrophobicContact CG-CZ2 3.88Å; W436-P438 WeakPolarHBondContact O-CD 3.19Å; W436-Y472 VanDerWaalsContact CE2-O 3.26Å; W436-Y472 WeakPolarHBondContact CZ2-O 3.43Å; W436-Y472 PolarHBondContact NE1-O 3.24Å; W436-E473 VanDerWaalsContact CZ2-O 3.25Å; W436-E473 WeakPolarHBondContact CZ2-O 3.27Å; W436-R474 VanDerWaalsContact CD1-CZ 3.44Å; W436-R474 VanDerWaalsContact CD1-NH2 3.27Å; W436-R474 HydrophobicContact CZ2-CB 4.5Å; W436-R474 HydrophobicContact CZ2-CG 4.14Å
437	I	87.1	Confident	79	Confident	8 Å²	8	42.8 Å²	42.8	4%	0.041	22%	0.224	C	C	.	.			trans	-90.7	112.3	-174.9	-70	166.8	0	0	0	108.6	P302 D435 F445 W450	P302-I437 HydrophobicContact CB-CD1 4.2Å; P302-I437 HydrophobicContact CB-CG2 3.59Å; P302-I437 HydrophobicContact CG-CB 4.26Å; P302-I437 HydrophobicContact CG-CD1 3.87Å; P302-I437 HydrophobicContact CG-CG2 3.77Å; D435-I437 HydrophobicContact CB-CG1 4.32Å; D435-I437 PolarHBondContact O-N 3.33Å; I437-F445 HydrophobicContact CG2-CE1 3.52Å; I437-F445 HydrophobicContact CG2-CZ 3.4Å; I437-W450 HydrophobicContact CD1-CH2 3.77Å; I437-W450 HydrophobicContact CD1-CZ2 4.18Å; I437-W450 HydrophobicContact CD1-CZ3 4.13Å
438	P	86.3	Confident	76.9	Confident	32 Å²	32	49 Å²	49	21%	0.208	25%	0.252	C	S	.	.			trans	-65.7	162.1	175.9	29.3	-35.1	0	0	0	111	W309 W436 Y449	W309-P438 VanDerWaalsContact CE3-CA 3.48Å; W309-P438 HydrophobicContact CE3-CB 4.16Å; W309-P438 HydrophobicContact CZ3-CB 4.16Å; W436-P438 WeakPolarHBondContact O-CD 3.19Å; P438-Y449 HydrophobicContact CG-CD2 4.4Å; P438-Y449 HydrophobicContact CG-CE1 4.28Å; P438-Y449 HydrophobicContact CG-CE2 3.96Å
439	P	83.4	Confident	75.1	Confident	34 Å²	34	53.2 Å²	53.2	22%	0.221	27%	0.269	C	S	.	.			trans	-54.4	131.7	178.7	-24.4	35.1	0	0	0	110.4	N59 W309 I441	N59-P439 WeakPolarHBondContact OD1-CG 3.4Å; W309-P439 HydrophobicContact CB-CG 4Å; W309-P439 HydrophobicContact CG-CG 4.12Å; P439-I441 HydrophobicContact CB-CG2 4.24Å; P439-I441 PolarHBondContact O-N 3.42Å
440	P	76.1	Confident	73.4	Confident	8 Å²	8	55.2 Å²	55.2	5%	0.052	28%	0.277	C	S	.	.			trans	-79.5	66	-170.9	32.1	-36.1	0	0	0	111.7	N257 R260 F445	N257-P440 WeakPolarHBondContact CB-O 3.36Å; R260-P440 HydrophobicContact CB-CG 4.08Å; R260-P440 WeakPolarHBondContact CB-O 3.38Å; R260-P440 HydrophobicContact CG-CG 4.11Å; P440-F445 HydrophobicContact CB-CD2 4.47Å; P440-F445 HydrophobicContact CB-CE2 3.6Å; P440-F445 HydrophobicContact CB-CZ 4Å
441	I	66.8	Low	71.8	Confident	90 Å²	90	55.4 Å²	55.4	46%	0.462	28%	0.28	S	S	.	.			trans	-84.5	-23.5	-179.1	60.9	178.6	0	0	0	112.9	P439	P439-I441 HydrophobicContact CB-CG2 4.24Å; P439-I441 PolarHBondContact O-N 3.42Å
442	L	60.7	Low	70	Confident	100 Å²	100	59.5 Å²	59.5	52%	0.524	30%	0.301	S	S	.	.	S	Bend	trans	-82.4	150.5	-177.8	-63.5	-179.2	0	0	0	112.4	N257 G444	N257-L442 VanDerWaalsContact CB-O 3.31Å; N257-L442 WeakPolarHBondContact CB-O 3.41Å; N257-L442 PolarHBondContact ND2-O 3.15Å; N257-L442 VanDerWaalsContact ND2-O 3.16Å; L442-G444 PolarHBondContact O-N 3.08Å; L442-G444 VanDerWaalsContact O-N 3.12Å
443	P	60.3	Low	68.3	Low	94 Å²	94	61.1 Å²	61.1	61%	0.61	31%	0.308	S	S	*	.	S	Bend	trans	-55.7	-34	-174.5	-18.5	23.8	0	0	0	114.4	Q256	Q256-P443 HydrophobicContact CB-CB 4.21Å; Q256-P443 HydrophobicContact CB-CG 3.76Å; Q256-P443 HydrophobicContact CG-CG 4.39Å
444	G	59.8	Low	66.7	Low	46 Å²	46	60.6 Å²	60.6	47%	0.474	31%	0.305	S	S	.	.	S	Bend	trans	-126.5	160.9	174.2	0	0	0	0	0	111.3	L442 P446	L442-G444 PolarHBondContact O-N 3.08Å; L442-G444 VanDerWaalsContact O-N 3.12Å; G444-P446 WeakPolarHBondContact O-CD 3.37Å
445	F	59.5	Low	65	Low	54 Å²	54	67.2 Å²	67.2	24%	0.237	34%	0.335	C	S	.	.			trans	-84.8	119.4	168.3	-113.8	-77.6	0	0	0	109.4	P302 I437 P440 R447 Y449 W450	P302-F445 HydrophobicContact CB-CE2 4.16Å; P302-F445 HydrophobicContact CB-CZ 3.77Å; P302-F445 WeakPolarHBondContact O-CE2 3.43Å; I437-F445 HydrophobicContact CG2-CE1 3.52Å; I437-F445 HydrophobicContact CG2-CZ 3.4Å; P440-F445 HydrophobicContact CB-CD2 4.47Å; P440-F445 HydrophobicContact CB-CE2 3.6Å; P440-F445 HydrophobicContact CB-CZ 4Å; F445-R447 PolarHBondContact O-N 2.98Å; F445-Y449 HydrophobicContact CD1-CD2 4.49Å; F445-W450 AromaticContact CD1-CE2 3.88Å; F445-W450 HydrophobicContact CD1-CZ2 4.05Å; F445-W450 AromaticContact CD1-NE1 3.17Å; F445-W450 AromaticContact CE1-CZ2 3.96Å; F445-W450 HydrophobicContact CE1-CZ2 3.96Å; F445-W450 AromaticContact CE1-NE1 3.87Å; F445-W450 HydrophobicContact CE2-CZ2 4.44Å; F445-W450 HydrophobicContact CG-CZ2 4.34Å; F445-W450 AromaticContact CG-NE1 3.53Å; F445-W450 HydrophobicContact CZ-CZ2 4.19Å
446	P	59	Low	63.5	Low	42 Å²	42	72.6 Å²	72.6	27%	0.273	36%	0.362	S	S	.	.			trans	-56.2	131.4	167	-27.3	37.4	0	0	0	110.2	G444 E448 Y449	G444-P446 WeakPolarHBondContact O-CD 3.37Å; P446-E448 VanDerWaalsContact C-OE2 3.23Å; P446-E448 WeakPolarHBondContact CA-OE2 3.39Å; P446-E448 WeakPolarHBondContact CB-OE2 3.41Å; P446-E448 PolarHBondContact O-N 2.85Å; P446-Y449 HydrophobicContact CB-CD2 3.74Å; P446-Y449 HydrophobicContact CB-CE2 3.82Å; P446-Y449 HydrophobicContact CG-CD2 3.89Å; P446-Y449 HydrophobicContact CG-CE2 3.61Å; P446-Y449 PolarHBondContact O-N 3.38Å
447	R	57.3	Low	62.3	Low	213 Å²	213	75 Å²	75	80%	0.804	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-63.7	-24.2	-180	-68.7	-173.3	-176.3	-171.6	3.2	111.3	F445 Y449 W450	F445-R447 PolarHBondContact O-N 2.98Å; R447-Y449 PolarHBondContact O-N 3.32Å; R447-W450 WeakPolarHBondContact O-CB 3.48Å; R447-W450 PolarHBondContact O-N 3.41Å; R447-W450 VanDerWaalsContact O-N 3.11Å
448	E	54.5	Low	61.1	Low	130 Å²	130	79.2 Å²	79.2	61%	0.607	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-61.2	-19.9	179	-60.2	68.3	-148.1	0	0	112.4	P446 L452	P446-E448 VanDerWaalsContact C-OE2 3.23Å; P446-E448 WeakPolarHBondContact CA-OE2 3.39Å; P446-E448 WeakPolarHBondContact CB-OE2 3.41Å; P446-E448 PolarHBondContact O-N 2.85Å; E448-L452 WeakPolarHBondContact O-CD1 3.14Å; E448-L452 WeakPolarHBondContact O-CD2 3.32Å; E448-L452 WeakPolarHBondContact O-CG 3.41Å
449	Y	57.1	Low	60.4	Low	88 Å²	88	87.3 Å²	87.3	35%	0.345	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-89.4	2.7	175.7	-63.1	-53.7	0	0	0	114.9	D435 P438 F445 P446 R447	D435-Y449 WeakPolarHBondContact CB-O 3.41Å; P438-Y449 HydrophobicContact CG-CD2 4.4Å; P438-Y449 HydrophobicContact CG-CE1 4.28Å; P438-Y449 HydrophobicContact CG-CE2 3.96Å; F445-Y449 HydrophobicContact CD1-CD2 4.49Å; P446-Y449 HydrophobicContact CB-CD2 3.74Å; P446-Y449 HydrophobicContact CB-CE2 3.82Å; P446-Y449 HydrophobicContact CG-CD2 3.89Å; P446-Y449 HydrophobicContact CG-CE2 3.61Å; P446-Y449 PolarHBondContact O-N 3.38Å; R447-Y449 PolarHBondContact O-N 3.32Å
450	W	58	Low	60.6	Low	43 Å²	43	87.4 Å²	87.4	16%	0.163	43%	0.425	C	S	.	.	S	Bend	trans	-107.4	1.9	-165.9	-80.2	99.9	0	0	0	117	P302 L303 I437 F445 R447	P302-W450 HydrophobicContact CB-CH2 4.4Å; P302-W450 HydrophobicContact CB-CZ2 4.5Å; L303-W450 HydrophobicContact CD1-CH2 4.13Å; L303-W450 HydrophobicContact CD1-CZ3 4.27Å; L303-W450 HydrophobicContact CD2-CH2 3.59Å; L303-W450 HydrophobicContact CD2-CZ2 3.33Å; L303-W450 HydrophobicContact CD2-CZ3 4.25Å; L303-W450 HydrophobicContact CG-CH2 3.46Å; L303-W450 VanDerWaalsContact CG-CH2 3.46Å; L303-W450 HydrophobicContact CG-CZ2 3.75Å; L303-W450 HydrophobicContact CG-CZ3 4.1Å; I437-W450 HydrophobicContact CD1-CH2 3.77Å; I437-W450 HydrophobicContact CD1-CZ2 4.18Å; I437-W450 HydrophobicContact CD1-CZ3 4.13Å; F445-W450 AromaticContact CD1-CE2 3.88Å; F445-W450 HydrophobicContact CD1-CZ2 4.05Å; F445-W450 AromaticContact CD1-NE1 3.17Å; F445-W450 AromaticContact CE1-CZ2 3.96Å; F445-W450 HydrophobicContact CE1-CZ2 3.96Å; F445-W450 AromaticContact CE1-NE1 3.87Å; F445-W450 HydrophobicContact CE2-CZ2 4.44Å; F445-W450 HydrophobicContact CG-CZ2 4.34Å; F445-W450 AromaticContact CG-NE1 3.53Å; F445-W450 HydrophobicContact CZ-CZ2 4.19Å; R447-W450 WeakPolarHBondContact O-CB 3.48Å; R447-W450 PolarHBondContact O-N 3.41Å; R447-W450 VanDerWaalsContact O-N 3.11Å
451	S	55.6	Low	61.3	Low	29 Å²	29	87.2 Å²	87.2	20%	0.203	42%	0.424	C	S	.	.	S	Bend	trans	-163.1	14.4	-178.4	59.2	0	0	0	0	116.8	D435 E453 R454 H455	D435-S451 PolarHBondContact OD2-N 2.78Å; S451-E453 PolarHBondContact O-N 3.41Å; S451-R454 PolarHBondContact O-N 3.19Å; S451-R454 VanDerWaalsContact O-N 3.17Å; S451-H455 WeakPolarHBondContact CB-NE2 3.46Å; S451-H455 PolarHBondContact O-N 2.92Å; S451-H455 PolarHBondContact OG-CD2 3.17Å; S451-H455 PolarHBondContact OG-NE2 3.36Å
452	L	53.2	Low	62.6	Low	89 Å²	89	83.9 Å²	83.9	47%	0.466	41%	0.408	S	S	.	.	H	α-helix	trans	-53.3	-56.2	-168.7	-68.2	166.6	0	0	0	111.6	D435 E448 H455 I456	D435-L452 WeakPolarHBondContact OD1-CB 3.39Å; D435-L452 PolarHBondContact OD1-N 3.07Å; E448-L452 WeakPolarHBondContact O-CD1 3.14Å; E448-L452 WeakPolarHBondContact O-CD2 3.32Å; E448-L452 WeakPolarHBondContact O-CG 3.41Å; L452-H455 PolarHBondContact O-N 3Å; L452-I456 HydrophobicContact CB-CD1 4.4Å; L452-I456 WeakPolarHBondContact O-CB 3.29Å; L452-I456 VanDerWaalsContact O-CD1 3.3Å; L452-I456 WeakPolarHBondContact O-CD1 3.31Å; L452-I456 WeakPolarHBondContact O-CG1 3.24Å; L452-I456 PolarHBondContact O-N 2.8Å
453	E	52.4	Low	64.3	Low	39 Å²	39	79.8 Å²	79.8	18%	0.182	39%	0.385	C	S	.	.	H	α-helix	trans	-73.7	-31.2	-177.8	-129.5	-157.9	-131.3	0	0	113.5	R312 S451 H455 I456 K457 W463	R312-E453 IonicContact CZ-OE1 3.24Å; R312-E453 IonicContact CZ-OE2 3.69Å; R312-E453 IonicContact NH1-OE1 3.24Å; R312-E453 PolarHBondContact NH1-OE1 3.15Å; R312-E453 VanDerWaalsContact NH1-OE1 3.08Å; R312-E453 IonicContact NH1-OE2 3.07Å; R312-E453 IonicContact NH2-OE1 2.69Å; R312-E453 PolarHBondContact NH2-OE1 3.38Å; R312-E453 IonicContact NH2-OE2 2.79Å; R312-E453 PolarHBondContact NH2-OE2 3.15Å; S451-E453 PolarHBondContact O-N 3.41Å; E453-H455 VanDerWaalsContact C-N 3.27Å; E453-H455 PolarHBondContact O-N 3.33Å; E453-I456 PolarHBondContact O-N 3.5Å; E453-K457 PolarHBondContact O-N 3.39Å; E453-W463 PolarHBondContact OE2-NE1 2.9Å; E453-W463 VanDerWaalsContact OE2-NE1 3.1Å
454	R	52.8	Low	66.1	Low	76 Å²	76	75.3 Å²	75.3	29%	0.287	36%	0.356	S	S	.	.	H	α-helix	trans	-66.6	-27.7	175.9	-86	-174.5	169.2	-172.9	-5	112.7	D430 Y433 S451	D430-R454 IonicContact OD1-CZ 3.93Å; D430-R454 IonicContact OD1-NE 3.69Å; D430-R454 IonicContact OD1-NH2 2.8Å; D430-R454 PolarHBondContact OD1-NH2 3.1Å; D430-R454 IonicContact OD2-CZ 3.72Å; D430-R454 IonicContact OD2-NH2 3.26Å; D430-R454 PolarHBondContact OD2-NH2 3.26Å; Y433-R454 VanDerWaalsContact CZ-NH1 3.26Å; S451-R454 PolarHBondContact O-N 3.19Å; S451-R454 VanDerWaalsContact O-N 3.17Å
455	H	50	Low	68	Low	142 Å²	142	73.1 Å²	73.1	66%	0.657	33%	0.334	S	S	*	.	H	α-helix	trans	-88.9	-33.6	174.5	-67.1	-3.1	0	0	0	112.5	S451 L452 E453	S451-H455 WeakPolarHBondContact CB-NE2 3.46Å; S451-H455 PolarHBondContact O-N 2.92Å; S451-H455 PolarHBondContact OG-CD2 3.17Å; S451-H455 PolarHBondContact OG-NE2 3.36Å; L452-H455 PolarHBondContact O-N 3Å; E453-H455 VanDerWaalsContact C-N 3.27Å; E453-H455 PolarHBondContact O-N 3.33Å
456	I	54.3	Low	69.8	Low	118 Å²	118	72.8 Å²	72.8	61%	0.605	34%	0.335	S	S	*	.	H	α-helix	trans	-78	-34.4	-178	-64.5	164.6	0	0	0	112.7	L452 E453	L452-I456 HydrophobicContact CB-CD1 4.4Å; L452-I456 WeakPolarHBondContact O-CB 3.29Å; L452-I456 VanDerWaalsContact O-CD1 3.3Å; L452-I456 WeakPolarHBondContact O-CD1 3.31Å; L452-I456 WeakPolarHBondContact O-CG1 3.24Å; L452-I456 PolarHBondContact O-N 2.8Å; E453-I456 PolarHBondContact O-N 3.5Å
457	K	64.7	Low	71.6	Confident	101 Å²	101	71 Å²	71	44%	0.439	32%	0.323	S	S	.	.			trans	-130.5	58.1	-177.5	-61.4	-169	-179.6	178.4	0	114.9	E453 R459 K460	E453-K457 PolarHBondContact O-N 3.39Å; K457-R459 PolarHBondContact O-N 2.88Å; K457-K460 HydrophobicContact CB-CB 4.23Å; K457-K460 HydrophobicContact CD-CD 4.02Å; K457-K460 PolarHBondContact O-N 3.35Å; K457-K460 VanDerWaalsContact O-N 3.16Å
458	P	61.5	Low	73.5	Confident	96 Å²	96	63.9 Å²	63.9	62%	0.623	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-0.9	-173.9	28.3	-37.4	0	0	0	116.4
459	R	71.2	Confident	75.5	Confident	201 Å²	201	60.7 Å²	60.7	76%	0.758	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	6.3	179.1	-61.5	-172.2	170.2	161.3	-2.5	114.5	T401 K406 K457	T401-R459 HydrophobicContact CG2-CB 4.31Å; T401-R459 HydrophobicContact CG2-CG 4.18Å; T401-R459 WeakPolarHBondContact OG1-CA 3.46Å; T401-R459 PolarHBondContact OG1-O 3.27Å; K406-R459 PolarHBondContact NZ-O 3.17Å; K457-R459 PolarHBondContact O-N 2.88Å
460	K	86.8	Confident	77.4	Confident	37 Å²	37	57.4 Å²	57.4	16%	0.161	30%	0.296	C	S	.	.			trans	-83.8	142.4	179	-163.8	162.6	175.5	65.5	0	110.3	K457 V462 W463 D476 S478	K457-K460 HydrophobicContact CB-CB 4.23Å; K457-K460 HydrophobicContact CD-CD 4.02Å; K457-K460 PolarHBondContact O-N 3.35Å; K457-K460 VanDerWaalsContact O-N 3.16Å; K460-V462 WeakPolarHBondContact CE-O 3.42Å; K460-V462 WeakPolarHBondContact CG-O 3.26Å; K460-V462 PolarHBondContact NZ-O 2.75Å; K460-W463 HydrophobicContact CB-CH2 4.08Å; K460-W463 HydrophobicContact CB-CZ2 3.74Å; K460-W463 HydrophobicContact CD-CD2 4.2Å; K460-W463 HydrophobicContact CD-CG 4.37Å; K460-W463 HydrophobicContact CD-CZ2 4.04Å; K460-W463 HydrophobicContact CG-CD2 4.08Å; K460-W463 HydrophobicContact CG-CE3 4.48Å; K460-W463 HydrophobicContact CG-CH2 4.09Å; K460-W463 HydrophobicContact CG-CZ2 3.68Å; K460-W463 HydrophobicContact CG-CZ3 4.47Å; K460-W463 WeakPolarHBondContact O-CH2 3.18Å; K460-D476 WeakPolarHBondContact CE-OD2 3.41Å; K460-D476 IonicContact NZ-OD1 3.21Å; K460-D476 IonicContact NZ-OD2 3.98Å; K460-D476 PolarHBondContact NZ-OD2 2.9Å; K460-S478 PolarHBondContact NZ-OG 3.12Å
461	S	91.2	Very high	79.2	Confident	4 Å²	4	56.7 Å²	56.7	3%	0.028	30%	0.297	C	S	.	.			trans	-148.4	9.7	-176.6	53.7	0	0	0	0	112.7	G402 T413 T428 G429	G402-S461 WeakPolarHBondContact CA-OG 3.48Å; T413-S461 WeakPolarHBondContact O-CB 3.47Å; T413-S461 PolarHBondContact OG1-OG 3.3Å; T428-S461 VanDerWaalsContact CA-O 3.24Å; T428-S461 WeakPolarHBondContact CA-O 3.15Å; G429-S461 PolarHBondContact N-O 2.62Å
462	V	94.7	Very high	81.2	Confident	19 Å²	19	59.9 Å²	59.9	12%	0.115	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	130.2	177.6	-176.6	0	0	0	0	107.1	T413 L426 L427 T428 K460 V485	T413-V462 HydrophobicContact CG2-CG2 3.5Å; T413-V462 VanDerWaalsContact CG2-CG2 3.5Å; L426-V462 HydrophobicContact CD1-CG1 4.01Å; L427-V462 WeakPolarHBondContact O-CA 3.4Å; T428-V462 HydrophobicContact CG2-CG2 4.47Å; K460-V462 WeakPolarHBondContact CE-O 3.42Å; K460-V462 WeakPolarHBondContact CG-O 3.26Å; K460-V462 PolarHBondContact NZ-O 2.75Å; V462-V485 HydrophobicContact CG1-CG1 3.78Å
463	W	96.3	Very high	83.3	Confident	14 Å²	14	55.7 Å²	55.7	5%	0.053	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	146.6	170.3	-61.1	-113.3	0	0	0	108.6	W319 L426 L427 G429 P431 E453 K460 F465 D476	W319-W463 AromaticContact CH2-CD1 3.74Å; W319-W463 HydrophobicContact CH2-CD2 4.08Å; W319-W463 AromaticContact CH2-CE2 3.9Å; W319-W463 HydrophobicContact CH2-CG 4.02Å; W319-W463 AromaticContact CH2-NE1 3.64Å; W319-W463 HydrophobicContact CZ3-CG 4.46Å; L426-W463 WeakPolarHBondContact CA-O 3.26Å; L426-W463 WeakPolarHBondContact CD1-O 3.49Å; L427-W463 HydrophobicContact CB-CE3 4.45Å; L427-W463 HydrophobicContact CD1-CB 4.15Å; L427-W463 PolarHBondContact N-O 3.47Å; L427-W463 PolarHBondContact O-N 3.43Å; G429-W463 WeakPolarHBondContact O-CZ3 3.49Å; P431-W463 HydrophobicContact CG-CD2 4.48Å; P431-W463 HydrophobicContact CG-CE3 3.82Å; P431-W463 HydrophobicContact CG-CH2 4.13Å; P431-W463 HydrophobicContact CG-CZ3 3.64Å; E453-W463 PolarHBondContact OE2-NE1 2.9Å; E453-W463 VanDerWaalsContact OE2-NE1 3.1Å; K460-W463 HydrophobicContact CB-CH2 4.08Å; K460-W463 HydrophobicContact CB-CZ2 3.74Å; K460-W463 HydrophobicContact CD-CD2 4.2Å; K460-W463 HydrophobicContact CD-CG 4.37Å; K460-W463 HydrophobicContact CD-CZ2 4.04Å; K460-W463 HydrophobicContact CG-CD2 4.08Å; K460-W463 HydrophobicContact CG-CE3 4.48Å; K460-W463 HydrophobicContact CG-CH2 4.09Å; K460-W463 HydrophobicContact CG-CZ2 3.68Å; K460-W463 HydrophobicContact CG-CZ3 4.47Å; K460-W463 WeakPolarHBondContact O-CH2 3.18Å; W463-F465 HydrophobicContact CB-CD2 4.46Å; W463-F465 HydrophobicContact CB-CE2 3.58Å; W463-F465 HydrophobicContact CB-CZ 4.03Å; W463-F465 HydrophobicContact CG-CE2 4.3Å; W463-F465 HydrophobicContact CG-CZ 4.41Å; W463-D476 WeakPolarHBondContact CA-OD1 3.5Å
464	L	98.5	Very high	85.2	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	130.7	175.5	178	73.3	0	0	0	109.5	W424 K425 L426 D476 L477 R481 V484 V485 L488	W424-L464 HydrophobicContact CB-CD1 4.4Å; W424-L464 HydrophobicContact CE3-CD1 4.02Å; W424-L464 HydrophobicContact CE3-CD2 4.02Å; W424-L464 HydrophobicContact CE3-CG 3.93Å; W424-L464 HydrophobicContact CZ3-CD2 4.08Å; W424-L464 HydrophobicContact CZ3-CG 4.27Å; K425-L464 WeakPolarHBondContact O-CA 3.34Å; L426-L464 HydrophobicContact CB-CD1 4.48Å; L426-L464 HydrophobicContact CD1-CB 4.45Å; L426-L464 HydrophobicContact CD1-CD1 4.25Å; L464-D476 PolarHBondContact N-OD1 3.43Å; L464-D476 WeakPolarHBondContact O-CA 3.38Å; L464-L477 HydrophobicContact CD2-CB 4.41Å; L464-L477 PolarHBondContact O-N 3.32Å; L464-R481 HydrophobicContact CD2-CB 3.78Å; L464-V484 HydrophobicContact CD1-CG1 3.88Å; L464-V484 HydrophobicContact CD2-CB 3.83Å; L464-V484 HydrophobicContact CD2-CG1 3.91Å; L464-V485 HydrophobicContact CB-CG2 4.06Å; L464-V485 HydrophobicContact CD2-CG2 3.88Å; L464-V485 HydrophobicContact CG-CG2 4.44Å; L464-L488 HydrophobicContact CD1-CD1 3.71Å
465	F	98.6	Very high	87.3	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	145.6	176.9	-57.2	-81.2	0	0	0	110.9	W319 W424 K425 L427 W463 V467 E473 F475 D476	W319-F465 AromaticContact CZ3-CE2 3.76Å; W319-F465 HydrophobicContact CZ3-CE2 3.76Å; W319-F465 HydrophobicContact CZ3-CZ 4.02Å; W424-F465 CarbonylContact C-O 3.58Å; W424-F465 WeakPolarHBondContact CA-O 3.39Å; K425-F465 PolarHBondContact N-O 3.01Å; K425-F465 PolarHBondContact O-N 2.96Å; L427-F465 HydrophobicContact CD1-CD2 3.81Å; L427-F465 HydrophobicContact CD1-CE2 3.74Å; W463-F465 HydrophobicContact CB-CD2 4.46Å; W463-F465 HydrophobicContact CB-CE2 3.58Å; W463-F465 HydrophobicContact CB-CZ 4.03Å; W463-F465 HydrophobicContact CG-CE2 4.3Å; W463-F465 HydrophobicContact CG-CZ 4.41Å; F465-V467 HydrophobicContact CB-CG1 3.98Å; F465-V467 PolarHBondContact O-N 3.37Å; F465-E473 HydrophobicContact CB-CG 4.39Å; F465-E473 VanDerWaalsContact CD1-CA 3.49Å; F465-E473 HydrophobicContact CD1-CB 3.89Å; F465-E473 HydrophobicContact CD1-CG 4.37Å; F465-E473 HydrophobicContact CD2-CB 3.99Å; F465-E473 HydrophobicContact CD2-CG 3.85Å; F465-E473 HydrophobicContact CE1-CB 3.84Å; F465-E473 WeakPolarHBondContact CE1-O 3.3Å; F465-E473 HydrophobicContact CE2-CB 3.96Å; F465-E473 HydrophobicContact CE2-CG 4.21Å; F465-E473 HydrophobicContact CG-CB 3.96Å; F465-E473 HydrophobicContact CG-CG 3.94Å; F465-E473 HydrophobicContact CZ-CB 3.88Å; F465-F475 WeakPolarHBondContact CD1-O 3.48Å; F465-D476 HydrophobicContact CE1-CB 3.85Å; F465-D476 HydrophobicContact CZ-CB 4.07Å
466	N	98.3	Very high	89.5	Confident	48 Å²	48	56.9 Å²	56.9	26%	0.257	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	89.5	161	175.2	-15.9	0	0	0	107.2	D423 W424 S468 G469 D470 L477	D423-N466 CarbonylContact O-C 3.34Å; D423-N466 VanDerWaalsContact O-CA 3.32Å; D423-N466 WeakPolarHBondContact O-CA 3.4Å; W424-N466 HydrophobicContact CE3-CB 4.1Å; W424-N466 HydrophobicContact CH2-CB 4.16Å; W424-N466 HydrophobicContact CZ3-CB 3.88Å; N466-S468 PolarHBondContact O-N 3.01Å; N466-S468 PolarHBondContact OD1-N 2.69Å; N466-G469 PolarHBondContact O-N 3.17Å; N466-G469 PolarHBondContact OD1-N 3.25Å; N466-G469 VanDerWaalsContact OD1-N 3.07Å; N466-D470 WeakPolarHBondContact O-CA 3.29Å; N466-D470 PolarHBondContact O-N 2.74Å; N466-L477 HydrophobicContact CB-CD1 4.35Å
467	V	97.6	Very high	91.5	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.024	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-11.2	-174.1	-66.1	0	0	0	0	114.2	R420 D423 K425 F465 P471 E473	R420-V467 HydrophobicContact CG-CG2 4.36Å; D423-V467 WeakPolarHBondContact O-CG2 3.48Å; D423-V467 PolarHBondContact O-N 3Å; K425-V467 HydrophobicContact CB-CG1 3.59Å; K425-V467 HydrophobicContact CB-CG2 4.17Å; K425-V467 HydrophobicContact CD-CG1 3.9Å; K425-V467 HydrophobicContact CG-CG1 4.43Å; F465-V467 HydrophobicContact CB-CG1 3.98Å; F465-V467 PolarHBondContact O-N 3.37Å; V467-P471 VanDerWaalsContact O-CA 3.3Å; V467-P471 WeakPolarHBondContact O-CA 3.47Å; V467-E473 HydrophobicContact CG1-CG 4.42Å
468	S	95.3	Very high	93	Very high	64 Å²	64	49.5 Å²	49.5	45%	0.448	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-33.4	170.8	-68.3	0	0	0	0	112.4	D423 N466	D423-S468 WeakPolarHBondContact OD1-CB 3.36Å; D423-S468 PolarHBondContact OD1-OG 2.92Å; N466-S468 PolarHBondContact O-N 3.01Å; N466-S468 PolarHBondContact OD1-N 2.69Å
469	G	96.4	Very high	94.7	Very high	63 Å²	63	52.4 Å²	52.4	65%	0.649	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-30.9	174.8	0	0	0	0	0	114.6	N466 P471	N466-G469 PolarHBondContact O-N 3.17Å; N466-G469 PolarHBondContact OD1-N 3.25Å; N466-G469 VanDerWaalsContact OD1-N 3.07Å; G469-P471 WeakPolarHBondContact O-CD 3.16Å
470	D	97.4	Very high	95.9	Very high	19 Å²	19	48.5 Å²	48.5	10%	0.102	25%	0.25	C	S	.	.			trans	-125.5	72.6	177.7	177.5	20.7	0	0	0	109.9	N466 Y472 E473 R474 F475	N466-D470 WeakPolarHBondContact O-CA 3.29Å; N466-D470 PolarHBondContact O-N 2.74Å; D470-Y472 PolarHBondContact O-N 3.26Å; D470-Y472 PolarHBondContact OD1-N 3Å; D470-E473 PolarHBondContact O-N 3.26Å; D470-E473 PolarHBondContact OD1-N 2.88Å; D470-E473 VanDerWaalsContact OD1-N 3.16Å; D470-R474 VanDerWaalsContact CG-N 3.34Å; D470-R474 PolarHBondContact OD1-N 3.27Å; D470-R474 VanDerWaalsContact OD1-N 3.14Å; D470-R474 PolarHBondContact OD2-N 3.43Å; D470-F475 PolarHBondContact OD2-N 3.48Å
471	P	96.5	Very high	96.5	Very high	28 Å²	28	51.1 Å²	51.1	18%	0.182	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-0.2	179.2	29.7	-37.5	0	0	0	113.7	V467 G469	V467-P471 VanDerWaalsContact O-CA 3.3Å; V467-P471 WeakPolarHBondContact O-CA 3.47Å; G469-P471 WeakPolarHBondContact O-CD 3.16Å
472	Y	96.4	Very high	96.8	Very high	96 Å²	96	53.8 Å²	53.8	38%	0.376	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	4.1	-176.6	-49.5	-34.6	0	0	0	112.4	P310 L311 W436 D470 R474	P310-Y472 HydrophobicContact CB-CD1 4.36Å; P310-Y472 HydrophobicContact CB-CE1 4.28Å; P310-Y472 HydrophobicContact CB-CE2 4.47Å; P310-Y472 HydrophobicContact CG-CD1 3.96Å; P310-Y472 HydrophobicContact CG-CE1 3.43Å; P310-Y472 VanDerWaalsContact CG-CE1 3.43Å; P310-Y472 HydrophobicContact CG-CE2 4.07Å; P310-Y472 VanDerWaalsContact CG-CZ 3.47Å; L311-Y472 HydrophobicContact CD2-CD1 3.95Å; L311-Y472 HydrophobicContact CD2-CE1 4.14Å; W436-Y472 VanDerWaalsContact CE2-O 3.26Å; W436-Y472 WeakPolarHBondContact CZ2-O 3.43Å; W436-Y472 PolarHBondContact NE1-O 3.24Å; D470-Y472 PolarHBondContact O-N 3.26Å; D470-Y472 PolarHBondContact OD1-N 3Å; Y472-R474 VanDerWaalsContact C-N 3.28Å; Y472-R474 PolarHBondContact O-N 3.3Å
473	E	97.3	Very high	96.9	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.291	C	S	.	.			trans	56.2	38	175.2	-60.4	171.3	128	0	0	113.6	R312 W319 E320 K425 W436 F465 V467 D470	R312-E473 HydrophobicContact CB-CB 4.31Å; R312-E473 WeakPolarHBondContact CB-OE2 3.49Å; R312-E473 PolarHBondContact NH1-O 3.34Å; R312-E473 VanDerWaalsContact NH1-O 3.16Å; W319-E473 WeakPolarHBondContact CA-OE2 3.15Å; W319-E473 WeakPolarHBondContact CB-OE2 3.37Å; E320-E473 HydrophobicContact CG-CG 3.88Å; E320-E473 PolarHBondContact N-OE2 3.32Å; K425-E473 WeakPolarHBondContact CD-OE1 3.36Å; K425-E473 WeakPolarHBondContact CE-OE1 3.22Å; K425-E473 IonicContact NZ-OE1 3.35Å; K425-E473 PolarHBondContact NZ-OE1 2.95Å; W436-E473 VanDerWaalsContact CZ2-O 3.25Å; W436-E473 WeakPolarHBondContact CZ2-O 3.27Å; F465-E473 HydrophobicContact CB-CG 4.39Å; F465-E473 VanDerWaalsContact CD1-CA 3.49Å; F465-E473 HydrophobicContact CD1-CB 3.89Å; F465-E473 HydrophobicContact CD1-CG 4.37Å; F465-E473 HydrophobicContact CD2-CB 3.99Å; F465-E473 HydrophobicContact CD2-CG 3.85Å; F465-E473 HydrophobicContact CE1-CB 3.84Å; F465-E473 WeakPolarHBondContact CE1-O 3.3Å; F465-E473 HydrophobicContact CE2-CB 3.96Å; F465-E473 HydrophobicContact CE2-CG 4.21Å; F465-E473 HydrophobicContact CG-CB 3.96Å; F465-E473 HydrophobicContact CG-CG 3.94Å; F465-E473 HydrophobicContact CZ-CB 3.88Å; V467-E473 HydrophobicContact CG1-CG 4.42Å; D470-E473 PolarHBondContact O-N 3.26Å; D470-E473 PolarHBondContact OD1-N 2.88Å; D470-E473 VanDerWaalsContact OD1-N 3.16Å
474	R	94.3	Very high	97	Very high	103 Å²	103	56.6 Å²	56.6	39%	0.389	29%	0.292	S	S	.	.			trans	-78	-36.9	-177.8	-64.2	-76.1	178.7	-172.9	0.1	112.7	W436 D470 Y472	W436-R474 VanDerWaalsContact CD1-CZ 3.44Å; W436-R474 VanDerWaalsContact CD1-NH2 3.27Å; W436-R474 HydrophobicContact CZ2-CB 4.5Å; W436-R474 HydrophobicContact CZ2-CG 4.14Å; D470-R474 VanDerWaalsContact CG-N 3.34Å; D470-R474 PolarHBondContact OD1-N 3.27Å; D470-R474 VanDerWaalsContact OD1-N 3.14Å; D470-R474 PolarHBondContact OD2-N 3.43Å; Y472-R474 VanDerWaalsContact C-N 3.28Å; Y472-R474 PolarHBondContact O-N 3.3Å
475	F	95.3	Very high	97	Very high	152 Å²	152	56.8 Å²	56.8	67%	0.667	29%	0.293	S	S	*	.	S	Bend	trans	-120.1	95.3	-170.4	-59.2	-75.6	0	0	0	110.4	F465 D470 L477	F465-F475 WeakPolarHBondContact CD1-O 3.48Å; D470-F475 PolarHBondContact OD2-N 3.48Å; F475-L477 PolarHBondContact O-N 2.97Å
476	D	96	Very high	97	Very high	28 Å²	28	62 Å²	62	15%	0.15	32%	0.315	C	S	.	.			trans	-70.4	125.1	174	165.8	47.2	0	0	0	110.9	K460 W463 L464 F465 S478 Q480	K460-D476 WeakPolarHBondContact CE-OD2 3.41Å; K460-D476 IonicContact NZ-OD1 3.21Å; K460-D476 IonicContact NZ-OD2 3.98Å; K460-D476 PolarHBondContact NZ-OD2 2.9Å; W463-D476 WeakPolarHBondContact CA-OD1 3.5Å; L464-D476 PolarHBondContact N-OD1 3.43Å; L464-D476 WeakPolarHBondContact O-CA 3.38Å; F465-D476 HydrophobicContact CE1-CB 3.85Å; F465-D476 HydrophobicContact CZ-CB 4.07Å; D476-S478 WeakPolarHBondContact OD1-CB 3.45Å; D476-S478 PolarHBondContact OD1-N 3.08Å; D476-S478 PolarHBondContact OD1-OG 3.13Å; D476-S478 PolarHBondContact OD2-OG 3.25Å; D476-Q480 PolarHBondContact O-OE1 2.99Å
477	L	97.9	Very high	97	Very high	49 Å²	49	63.3 Å²	63.3	26%	0.257	32%	0.32	S	S	.	.			trans	-106.7	9.3	-176.3	-64.7	173.4	0	0	0	112.9	W424 L464 N466 F475 E479 Q480 R481	W424-L477 HydrophobicContact CH2-CD1 4.09Å; W424-L477 HydrophobicContact CZ3-CB 4.46Å; W424-L477 HydrophobicContact CZ3-CD1 3.72Å; L464-L477 HydrophobicContact CD2-CB 4.41Å; L464-L477 PolarHBondContact O-N 3.32Å; N466-L477 HydrophobicContact CB-CD1 4.35Å; F475-L477 PolarHBondContact O-N 2.97Å; L477-E479 VanDerWaalsContact C-N 3.28Å; L477-E479 PolarHBondContact O-N 3.33Å; L477-Q480 PolarHBondContact O-N 3.16Å; L477-Q480 PolarHBondContact O-OE1 2.76Å; L477-R481 PolarHBondContact O-N 3.45Å
478	S	96.4	Very high	97.1	Very high	15 Å²	15	63.5 Å²	63.5	11%	0.105	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-26.2	-171.9	52.3	0	0	0	0	114.8	K460 D476	K460-S478 PolarHBondContact NZ-OG 3.12Å; D476-S478 WeakPolarHBondContact OD1-CB 3.45Å; D476-S478 PolarHBondContact OD1-N 3.08Å; D476-S478 PolarHBondContact OD1-OG 3.13Å; D476-S478 PolarHBondContact OD2-OG 3.25Å
479	E	95.6	Very high	97.2	Very high	157 Å²	157	60.4 Å²	60.4	73%	0.734	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-30.8	176.6	-68.7	174	-164	0	0	111.9	L477	L477-E479 VanDerWaalsContact C-N 3.28Å; L477-E479 PolarHBondContact O-N 3.33Å
480	Q	98	Very high	97.3	Very high	119 Å²	119	58.9 Å²	58.9	56%	0.556	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-27.4	-179.4	-59.1	82.7	-10.3	0	0	112.5	D476 L477 P482	D476-Q480 PolarHBondContact O-OE1 2.99Å; L477-Q480 PolarHBondContact O-N 3.16Å; L477-Q480 PolarHBondContact O-OE1 2.76Å; Q480-P482 WeakPolarHBondContact O-CD 3.43Å
481	R	97.9	Very high	97.4	Very high	92 Å²	92	61.3 Å²	61.3	35%	0.347	29%	0.289	S	S	.	.			trans	-125.2	58.6	-178.1	-64.5	-58.3	-56.6	-87.4	4.2	113.1	W424 L464 L477 D483 V484 V485	W424-R481 HydrophobicContact CH2-CG 4.39Å; L464-R481 HydrophobicContact CD2-CB 3.78Å; L477-R481 PolarHBondContact O-N 3.45Å; R481-D483 VanDerWaalsContact CA-OD1 3.23Å; R481-D483 WeakPolarHBondContact CA-OD1 3.18Å; R481-D483 IonicContact CZ-OD1 3.21Å; R481-D483 IonicContact CZ-OD2 3.76Å; R481-D483 IonicContact NE-OD1 3.27Å; R481-D483 PolarHBondContact NE-OD1 3.34Å; R481-D483 IonicContact NE-OD2 3.63Å; R481-D483 PolarHBondContact NE-OD2 3.37Å; R481-D483 IonicContact NH2-OD1 3.84Å; R481-D483 IonicContact NH2-OD2 2.78Å; R481-D483 PolarHBondContact NH2-OD2 3.43Å; R481-D483 PolarHBondContact O-N 2.86Å; R481-V484 HydrophobicContact CB-CB 4.21Å; R481-V484 HydrophobicContact CB-CG2 4.08Å; R481-V484 VanDerWaalsContact NH2-CG2 3.26Å; R481-V484 PolarHBondContact O-N 3.13Å; R481-V484 VanDerWaalsContact O-N 3.13Å; R481-V485 WeakPolarHBondContact O-CG2 3.12Å; R481-V485 PolarHBondContact O-N 3.31Å
482	P	97.4	Very high	97.5	Very high	59 Å²	59	60 Å²	60	38%	0.383	28%	0.28	S	S	.	.	H	α-helix	trans	-64	-20.5	178.2	29.1	-36.1	0	0	0	112.8	F408 Q480 K486	F408-P482 HydrophobicContact CE1-CB 4.47Å; F408-P482 HydrophobicContact CZ-CB 3.97Å; Q480-P482 WeakPolarHBondContact O-CD 3.43Å; P482-K486 VanDerWaalsContact O-CB 3.28Å; P482-K486 WeakPolarHBondContact O-CB 3.13Å; P482-K486 PolarHBondContact O-N 3.25Å
483	D	97.9	Very high	97.6	Very high	83 Å²	83	56.7 Å²	56.7	44%	0.444	27%	0.269	S	S	.	.	H	α-helix	trans	-61.7	-52	170.4	61.9	-44.2	0	0	0	111.6	R481 K486 E487	R481-D483 VanDerWaalsContact CA-OD1 3.23Å; R481-D483 WeakPolarHBondContact CA-OD1 3.18Å; R481-D483 IonicContact CZ-OD1 3.21Å; R481-D483 IonicContact CZ-OD2 3.76Å; R481-D483 IonicContact NE-OD1 3.27Å; R481-D483 PolarHBondContact NE-OD1 3.34Å; R481-D483 IonicContact NE-OD2 3.63Å; R481-D483 PolarHBondContact NE-OD2 3.37Å; R481-D483 IonicContact NH2-OD1 3.84Å; R481-D483 IonicContact NH2-OD2 2.78Å; R481-D483 PolarHBondContact NH2-OD2 3.43Å; R481-D483 PolarHBondContact O-N 2.86Å; D483-K486 PolarHBondContact O-N 3.32Å; D483-E487 PolarHBondContact O-N 3.07Å
484	V	98.4	Very high	97.6	Very high	9 Å²	9	62.5 Å²	62.5	6%	0.055	29%	0.292	C	S	.	.	H	α-helix	trans	-67.9	-40.5	178.3	-177.3	0	0	0	0	110.8	W424 L464 R481 K486 E487 L488	W424-V484 HydrophobicContact CB-CG1 4.14Å; W424-V484 HydrophobicContact CD2-CG1 3.81Å; W424-V484 HydrophobicContact CE3-CG1 4.14Å; W424-V484 HydrophobicContact CG-CG1 3.79Å; L464-V484 HydrophobicContact CD1-CG1 3.88Å; L464-V484 HydrophobicContact CD2-CB 3.83Å; L464-V484 HydrophobicContact CD2-CG1 3.91Å; R481-V484 HydrophobicContact CB-CB 4.21Å; R481-V484 HydrophobicContact CB-CG2 4.08Å; R481-V484 VanDerWaalsContact NH2-CG2 3.26Å; R481-V484 PolarHBondContact O-N 3.13Å; R481-V484 VanDerWaalsContact O-N 3.13Å; V484-K486 VanDerWaalsContact C-N 3.33Å; V484-K486 PolarHBondContact O-N 3.34Å; V484-E487 PolarHBondContact O-N 3.01Å; V484-L488 HydrophobicContact CG1-CD1 3.96Å; V484-L488 HydrophobicContact CG1-CG 4.29Å; V484-L488 WeakPolarHBondContact O-CG 3.27Å; V484-L488 PolarHBondContact O-N 3.3Å
485	V	98.6	Very high	97.8	Very high	5 Å²	5	58.7 Å²	58.7	3%	0.03	28%	0.278	C	S	.	.	H	α-helix	trans	-55.5	-50	173.8	176.2	0	0	0	0	110.2	F408 L426 V462 L464 R481 E487 L488 L489	F408-V485 HydrophobicContact CE2-CB 4.38Å; F408-V485 HydrophobicContact CE2-CG1 3.88Å; L426-V485 HydrophobicContact CD1-CB 4.39Å; L426-V485 HydrophobicContact CD1-CG1 4.01Å; L426-V485 HydrophobicContact CD1-CG2 4.25Å; V462-V485 HydrophobicContact CG1-CG1 3.78Å; L464-V485 HydrophobicContact CB-CG2 4.06Å; L464-V485 HydrophobicContact CD2-CG2 3.88Å; L464-V485 HydrophobicContact CG-CG2 4.44Å; R481-V485 WeakPolarHBondContact O-CG2 3.12Å; R481-V485 PolarHBondContact O-N 3.31Å; V485-E487 VanDerWaalsContact C-N 3.33Å; V485-E487 PolarHBondContact O-N 3.26Å; V485-L488 PolarHBondContact O-N 2.71Å; V485-L489 HydrophobicContact CG1-CD1 3.71Å; V485-L489 HydrophobicContact CG1-CG 4.17Å; V485-L489 WeakPolarHBondContact O-CB 3.41Å; V485-L489 WeakPolarHBondContact O-CG 3.18Å; V485-L489 PolarHBondContact O-N 3.31Å
486	K	98.3	Very high	97.9	Very high	108 Å²	108	54.9 Å²	54.9	47%	0.47	27%	0.265	S	S	.	.	H	α-helix	trans	-64.1	-36.2	-178.8	-172.8	175	-179.4	177.8	0	112.8	F408 I410 P482 D483 V484 A490	F408-K486 HydrophobicContact CB-CD 4.3Å; F408-K486 HydrophobicContact CB-CG 4.32Å; F408-K486 HydrophobicContact CD1-CD 4.27Å; F408-K486 HydrophobicContact CD2-CB 4Å; F408-K486 HydrophobicContact CD2-CG 4.16Å; F408-K486 HydrophobicContact CE2-CB 4.08Å; F408-K486 HydrophobicContact CG-CB 4.37Å; F408-K486 HydrophobicContact CG-CD 4.15Å; F408-K486 HydrophobicContact CG-CG 4.15Å; I410-K486 HydrophobicContact CD1-CG 4.3Å; P482-K486 VanDerWaalsContact O-CB 3.28Å; P482-K486 WeakPolarHBondContact O-CB 3.13Å; P482-K486 PolarHBondContact O-N 3.25Å; D483-K486 PolarHBondContact O-N 3.32Å; V484-K486 VanDerWaalsContact C-N 3.33Å; V484-K486 PolarHBondContact O-N 3.34Å; K486-A490 PolarHBondContact O-N 2.93Å; K486-A490 VanDerWaalsContact O-N 3.07Å
487	E	98.4	Very high	98	Very high	77 Å²	77	61.7 Å²	61.7	36%	0.36	29%	0.288	S	S	.	.	H	α-helix	trans	-64.3	-50.5	174.4	-177.1	168	-168	0	0	111.9	D483 V484 V485 L489 A490 R491	D483-E487 PolarHBondContact O-N 3.07Å; V484-E487 PolarHBondContact O-N 3.01Å; V485-E487 VanDerWaalsContact C-N 3.33Å; V485-E487 PolarHBondContact O-N 3.26Å; E487-L489 PolarHBondContact O-N 3.24Å; E487-A490 CarbonylContact O-C 3.49Å; E487-A490 WeakPolarHBondContact O-CA 3.34Å; E487-A490 WeakPolarHBondContact O-CB 3.49Å; E487-A490 PolarHBondContact O-N 3.47Å; E487-R491 PolarHBondContact O-N 2.8Å
488	L	98.7	Very high	98	Very high	7 Å²	7	62.4 Å²	62.4	4%	0.037	30%	0.295	C	S	.	.	H	α-helix	trans	-68.7	-32.3	-179.8	-64.3	179.8	0	0	0	112.7	I419 A421 W424 L426 L464 V484 V485 A490 R491 L492	I419-L488 HydrophobicContact CG2-CB 4.23Å; A421-L488 HydrophobicContact CB-CD2 3.7Å; W424-L488 HydrophobicContact CB-CD1 3.84Å; L426-L488 HydrophobicContact CB-CB 3.88Å; L426-L488 HydrophobicContact CB-CD1 3.78Å; L426-L488 HydrophobicContact CB-CG 4.49Å; L426-L488 HydrophobicContact CD2-CB 3.76Å; L426-L488 HydrophobicContact CG-CB 4.29Å; L464-L488 HydrophobicContact CD1-CD1 3.71Å; V484-L488 HydrophobicContact CG1-CD1 3.96Å; V484-L488 HydrophobicContact CG1-CG 4.29Å; V484-L488 WeakPolarHBondContact O-CG 3.27Å; V484-L488 PolarHBondContact O-N 3.3Å; V485-L488 PolarHBondContact O-N 2.71Å; L488-A490 VanDerWaalsContact C-N 3.32Å; L488-A490 PolarHBondContact O-N 2.63Å; L488-R491 WeakPolarHBondContact O-CB 3.46Å; L488-R491 PolarHBondContact O-N 3.39Å; L488-L492 PolarHBondContact O-N 2.97Å
489	L	98.7	Very high	98	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.9	-38	168.2	-69.5	171.5	0	0	0	111.6	F408 I410 W411 L426 T428 V485 E487 R491 L492 V493	F408-L489 HydrophobicContact CD2-CD1 3.72Å; F408-L489 HydrophobicContact CE2-CD1 4.03Å; I410-L489 HydrophobicContact CD1-CB 4.08Å; I410-L489 HydrophobicContact CG1-CB 4.47Å; W411-L489 HydrophobicContact CB-CB 4.16Å; W411-L489 HydrophobicContact CB-CD2 3.85Å; W411-L489 HydrophobicContact CB-CG 4.46Å; W411-L489 VanDerWaalsContact CD1-CD2 3.42Å; W411-L489 HydrophobicContact CG-CD2 3.76Å; L426-L489 HydrophobicContact CD2-CD2 3.74Å; L426-L489 HydrophobicContact CD2-CG 3.9Å; T428-L489 HydrophobicContact CG2-CD2 3.72Å; V485-L489 HydrophobicContact CG1-CD1 3.71Å; V485-L489 HydrophobicContact CG1-CG 4.17Å; V485-L489 WeakPolarHBondContact O-CB 3.41Å; V485-L489 WeakPolarHBondContact O-CG 3.18Å; V485-L489 PolarHBondContact O-N 3.31Å; E487-L489 PolarHBondContact O-N 3.24Å; L489-R491 VanDerWaalsContact C-N 3.32Å; L489-R491 PolarHBondContact O-N 3.1Å; L489-L492 HydrophobicContact CD2-CD1 4.37Å; L489-L492 PolarHBondContact O-N 2.84Å; L489-V493 WeakPolarHBondContact O-CG2 3.47Å; L489-V493 PolarHBondContact O-N 2.85Å
490	A	98.5	Very high	98.1	Very high	31 Å²	31	58.6 Å²	58.6	26%	0.256	28%	0.284	S	S	.	.	H	α-helix	trans	-68.3	-30.1	174.1	0	0	0	0	0	112.6	I410 K486 E487 L488 V493 Y494	I410-A490 HydrophobicContact CD1-CB 4.02Å; K486-A490 PolarHBondContact O-N 2.93Å; K486-A490 VanDerWaalsContact O-N 3.07Å; E487-A490 CarbonylContact O-C 3.49Å; E487-A490 WeakPolarHBondContact O-CA 3.34Å; E487-A490 WeakPolarHBondContact O-CB 3.49Å; E487-A490 PolarHBondContact O-N 3.47Å; L488-A490 VanDerWaalsContact C-N 3.32Å; L488-A490 PolarHBondContact O-N 2.63Å; A490-V493 PolarHBondContact O-N 3.1Å; A490-Y494 PolarHBondContact O-N 2.82Å
491	R	98.5	Very high	98.1	Very high	70 Å²	70	57.3 Å²	57.3	26%	0.264	29%	0.286	S	S	.	.	H	α-helix	trans	-67.9	-41.3	169	-62.7	-58.6	-57.6	145.6	5.4	112.1	E387 I419 E487 L488 L489 V493 Y494 Y495	E387-R491 IonicContact OE1-CZ 2.71Å; E387-R491 IonicContact OE1-NE 3.75Å; E387-R491 PolarHBondContact OE1-NE 2.67Å; E387-R491 IonicContact OE1-NH2 3.8Å; E387-R491 PolarHBondContact OE1-NH2 2.87Å; E387-R491 WeakPolarHBondContact OE2-CG 3.07Å; E387-R491 IonicContact OE2-CZ 3.32Å; E387-R491 IonicContact OE2-NE 3.75Å; E387-R491 PolarHBondContact OE2-NE 2.93Å; E387-R491 IonicContact OE2-NH2 3.41Å; I419-R491 HydrophobicContact CD1-CB 3.44Å; I419-R491 VanDerWaalsContact CD1-CB 3.44Å; I419-R491 HydrophobicContact CD1-CG 4.42Å; E487-R491 PolarHBondContact O-N 2.8Å; L488-R491 WeakPolarHBondContact O-CB 3.46Å; L488-R491 PolarHBondContact O-N 3.39Å; L489-R491 VanDerWaalsContact C-N 3.32Å; L489-R491 PolarHBondContact O-N 3.1Å; R491-V493 VanDerWaalsContact C-N 3.33Å; R491-V493 PolarHBondContact O-N 2.77Å; R491-Y494 WeakPolarHBondContact O-CB 3.4Å; R491-Y494 PolarHBondContact O-N 3.29Å; R491-Y494 VanDerWaalsContact O-N 3.09Å; R491-Y495 WeakPolarHBondContact O-CD2 3.36Å; R491-Y495 PolarHBondContact O-N 3.06Å
492	L	98.6	Very high	98.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.8	-42.5	170.6	-69.9	179.9	0	0	0	112	L389 I392 W411 A417 I419 L426 T428 L488 L489 Y494 Y495 N496	L389-L492 HydrophobicContact CD1-CD2 3.58Å; I392-L492 HydrophobicContact CD1-CD2 4.38Å; I392-L492 HydrophobicContact CG1-CD2 4.3Å; W411-L492 HydrophobicContact CD2-CB 4.03Å; W411-L492 HydrophobicContact CD2-CD1 4.36Å; W411-L492 HydrophobicContact CE3-CB 3.9Å; W411-L492 HydrophobicContact CH2-CB 3.98Å; W411-L492 HydrophobicContact CZ2-CB 4.09Å; W411-L492 HydrophobicContact CZ2-CD1 4.06Å; W411-L492 HydrophobicContact CZ3-CB 3.87Å; A417-L492 HydrophobicContact CB-CD1 3.9Å; A417-L492 HydrophobicContact CB-CD2 4.08Å; I419-L492 HydrophobicContact CB-CD2 3.79Å; I419-L492 HydrophobicContact CB-CG 4.43Å; I419-L492 HydrophobicContact CG2-CD1 4.46Å; I419-L492 HydrophobicContact CG2-CD2 3.81Å; I419-L492 HydrophobicContact CG2-CG 3.91Å; L426-L492 HydrophobicContact CD2-CD1 3.99Å; T428-L492 HydrophobicContact CG2-CD1 4.35Å; L488-L492 PolarHBondContact O-N 2.97Å; L489-L492 HydrophobicContact CD2-CD1 4.37Å; L489-L492 PolarHBondContact O-N 2.84Å; L492-Y494 VanDerWaalsContact C-N 3.31Å; L492-Y494 PolarHBondContact O-N 2.54Å; L492-Y495 PolarHBondContact O-N 2.71Å; L492-N496 VanDerWaalsContact O-CB 3.29Å; L492-N496 WeakPolarHBondContact O-CB 3.42Å; L492-N496 PolarHBondContact O-N 3.3Å
493	V	98.3	Very high	98	Very high	26 Å²	26	54.5 Å²	54.5	16%	0.158	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-39.1	172.9	173	0	0	0	0	111.9	I410 W411 L489 A490 R491 R497	I410-V493 HydrophobicContact CB-CG2 4.41Å; I410-V493 WeakPolarHBondContact O-CG2 3.46Å; W411-V493 HydrophobicContact CB-CG2 4.41Å; W411-V493 HydrophobicContact CE3-CG2 3.78Å; L489-V493 WeakPolarHBondContact O-CG2 3.47Å; L489-V493 PolarHBondContact O-N 2.85Å; A490-V493 PolarHBondContact O-N 3.1Å; R491-V493 VanDerWaalsContact C-N 3.33Å; R491-V493 PolarHBondContact O-N 2.77Å; V493-R497 VanDerWaalsContact O-CG 3.29Å; V493-R497 WeakPolarHBondContact O-CG 3.16Å; V493-R497 PolarHBondContact O-N 2.59Å
494	Y	98.3	Very high	98	Very high	122 Å²	122	53.8 Å²	53.8	48%	0.478	26%	0.264	S	S	.	.	H	α-helix	trans	-61.8	-50.8	176.1	171	-93.3	0	0	0	111.4	A490 R491 L492 R497	A490-Y494 PolarHBondContact O-N 2.82Å; R491-Y494 WeakPolarHBondContact O-CB 3.4Å; R491-Y494 PolarHBondContact O-N 3.29Å; R491-Y494 VanDerWaalsContact O-N 3.09Å; L492-Y494 VanDerWaalsContact C-N 3.31Å; L492-Y494 PolarHBondContact O-N 2.54Å; Y494-R497 PolarHBondContact O-N 3.19Å
495	Y	98.4	Very high	97.9	Very high	23 Å²	23	54.9 Å²	54.9	9%	0.09	27%	0.271	C	S	.	.	H	α-helix	trans	-61.6	-45.6	177.3	-81	-67	0	0	0	112.6	Y104 I106 E387 L389 I419 R491 L492 R497 T498 A499	Y104-Y495 HydrophobicContact CD2-CE1 4.35Å; Y104-Y495 AromaticContact CE2-CE1 3.88Å; Y104-Y495 HydrophobicContact CE2-CE1 3.88Å; I106-Y495 HydrophobicContact CD1-CD1 4Å; I106-Y495 HydrophobicContact CD1-CG 4.49Å; E387-Y495 HydrophobicContact CG-CE2 4.39Å; E387-Y495 VanDerWaalsContact OE1-CE2 3.31Å; E387-Y495 WeakPolarHBondContact OE1-CE2 3.48Å; E387-Y495 PolarHBondContact OE1-OH 3.23Å; L389-Y495 HydrophobicContact CB-CD1 4.28Å; L389-Y495 HydrophobicContact CB-CD2 4.11Å; L389-Y495 HydrophobicContact CB-CE1 4.23Å; L389-Y495 HydrophobicContact CB-CE2 4.04Å; L389-Y495 HydrophobicContact CB-CG 4.22Å; L389-Y495 HydrophobicContact CD1-CD2 3.94Å; L389-Y495 HydrophobicContact CD1-CG 4.15Å; L389-Y495 HydrophobicContact CD2-CD1 3.97Å; L389-Y495 HydrophobicContact CD2-CD2 4.38Å; L389-Y495 HydrophobicContact CD2-CG 3.8Å; L389-Y495 HydrophobicContact CG-CD2 4.37Å; L389-Y495 HydrophobicContact CG-CG 4.28Å; I419-Y495 HydrophobicContact CD1-CD2 4.02Å; I419-Y495 HydrophobicContact CD1-CE2 3.85Å; R491-Y495 WeakPolarHBondContact O-CD2 3.36Å; R491-Y495 PolarHBondContact O-N 3.06Å; L492-Y495 PolarHBondContact O-N 2.71Å; Y495-R497 PolarHBondContact O-N 3.42Å; Y495-R497 VanDerWaalsContact O-N 3.17Å; Y495-T498 WeakPolarHBondContact O-CA 3.44Å; Y495-T498 PolarHBondContact O-N 2.92Å; Y495-T498 PolarHBondContact O-OG1 3.29Å; Y495-A499 PolarHBondContact O-N 2.86Å
496	N	97.8	Very high	97.8	Very high	72 Å²	72	59.6 Å²	59.6	39%	0.385	30%	0.304	S	S	.	.	H	α-helix	trans	-62.5	-25	-178.6	-163	41.9	0	0	0	113.5	I392 W411 L492 T498 A499	I392-N496 HydrophobicContact CD1-CB 4Å; W411-N496 HydrophobicContact CH2-CB 4.12Å; W411-N496 HydrophobicContact CZ3-CB 3.74Å; L492-N496 VanDerWaalsContact O-CB 3.29Å; L492-N496 WeakPolarHBondContact O-CB 3.42Å; L492-N496 PolarHBondContact O-N 3.3Å; N496-T498 PolarHBondContact O-N 2.78Å; N496-A499 WeakPolarHBondContact O-CB 3.21Å; N496-A499 PolarHBondContact O-N 3.2Å
497	R	97.6	Very high	97.6	Very high	171 Å²	171	57.5 Å²	57.5	65%	0.645	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-18.5	172.2	-73.8	166.1	179.3	174.8	3.2	113.8	V493 Y494 Y495	V493-R497 VanDerWaalsContact O-CG 3.29Å; V493-R497 WeakPolarHBondContact O-CG 3.16Å; V493-R497 PolarHBondContact O-N 2.59Å; Y494-R497 PolarHBondContact O-N 3.19Å; Y495-R497 PolarHBondContact O-N 3.42Å; Y495-R497 VanDerWaalsContact O-N 3.17Å
498	T	97	Very high	97.4	Very high	65 Å²	65	55.2 Å²	55.2	40%	0.399	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-5.2	175.8	69.7	0	0	0	0	112.6	H107 Y495 N496	H107-T498 PolarHBondContact CD2-O 2.88Å; H107-T498 PolarHBondContact NE2-OG1 3.22Å; Y495-T498 WeakPolarHBondContact O-CA 3.44Å; Y495-T498 PolarHBondContact O-N 2.92Å; Y495-T498 PolarHBondContact O-OG1 3.29Å; N496-T498 PolarHBondContact O-N 2.78Å
499	A	97.8	Very high	97.2	Very high	30 Å²	30	59.4 Å²	59.4	25%	0.248	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-71.3	133.8	-175.2	0	0	0	0	0	111.8	I106 Y495 N496	I106-A499 HydrophobicContact CB-CB 3.99Å; I106-A499 HydrophobicContact CG2-CB 4.45Å; I106-A499 CarbonylContact O-C 3.58Å; I106-A499 VanDerWaalsContact O-CA 3.22Å; I106-A499 WeakPolarHBondContact O-CA 3.4Å; Y495-A499 PolarHBondContact O-N 2.86Å; N496-A499 WeakPolarHBondContact O-CB 3.21Å; N496-A499 PolarHBondContact O-N 3.2Å
500	V	97.8	Very high	97.1	Very high	61 Å²	61	65 Å²	65	37%	0.37	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-80	156.8	166.4	-54.4	0	0	0	0	109.7	I106 G109 Q111	I106-V500 PolarHBondContact O-N 2.69Å; G109-V500 VanDerWaalsContact N-CG2 3.29Å; Q111-V500 PolarHBondContact NE2-O 3.31Å
501	P	97.1	Very high	96.9	Very high	92 Å²	92	63.6 Å²	63.6	60%	0.597	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-55.2	146.5	174.3	-25.3	35.3	0	0	0	112.4	R503	P501-R503 PolarHBondContact O-N 2.92Å
502	V	97.3	Very high	96.8	Very high	34 Å²	34	62.2 Å²	62.2	21%	0.206	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-66.4	126.9	175.8	-173.2	0	0	0	0	109.6	Q111 H112 P394 L395	Q111-V502 HydrophobicContact CB-CG2 4.24Å; H112-V502 HydrophobicContact CB-CG1 3.59Å; P394-V502 HydrophobicContact CG-CG2 3.64Å; L395-V502 HydrophobicContact CD1-CB 4.13Å; L395-V502 HydrophobicContact CD1-CG1 3.72Å; L395-V502 HydrophobicContact CG-CB 4.44Å; L395-V502 HydrophobicContact CG-CG1 4.34Å; L395-V502 HydrophobicContact CG-CG2 4.4Å
503	R	97.1	Very high	96.7	Very high	59 Å²	59	62.2 Å²	62.2	22%	0.223	33%	0.326	C	S	.	.			trans	-98.9	93.9	175.3	-67.3	175.9	65.4	-129.2	0.7	108.9	G109 N121 C122 P501	G109-R503 PolarHBondContact O-N 2.95Å; N121-R503 PolarHBondContact ND2-O 2.74Å; N121-R503 PolarHBondContact OD1-NH1 3.47Å; N121-R503 PolarHBondContact OD1-NH2 3.11Å; C122-R503 PolarHBondContact O-NH1 2.88Å; P501-R503 PolarHBondContact O-N 2.92Å
504	Y	96.3	Very high	96.5	Very high	68 Å²	68	68 Å²	68	27%	0.267	35%	0.352	S	S	.	.			trans	-135.8	74.6	176.3	-161.9	-105.1	0	0	0	109.9	H112 S113 Q119	H112-Y504 AromaticContact CD2-CD1 3.71Å; H112-Y504 AromaticContact CD2-CD2 3.89Å; H112-Y504 AromaticContact CD2-CE1 3.78Å; H112-Y504 AromaticContact CD2-CE2 3.98Å; H112-Y504 AromaticContact CD2-CG 3.74Å; H112-Y504 AromaticContact CD2-CZ 3.9Å; S113-Y504 PolarHBondContact OG-OH 3.42Å; Q119-Y504 VanDerWaalsContact NE2-CE2 3.32Å
505	P	96.8	Very high	96.3	Very high	32 Å²	32	67.3 Å²	67.3	21%	0.208	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-65.5	162.3	-177.9	28.9	-35	0	0	0	111.7	Q119 P120 N121	Q119-P505 HydrophobicContact CB-CG 4.47Å; Q119-P505 PolarHBondContact NE2-O 3.37Å; P120-P505 HydrophobicContact CG-CB 4.12Å; P120-P505 HydrophobicContact CG-CG 4.08Å; N121-P505 HydrophobicContact CB-CG 3.89Å
506	S	95.6	Very high	96	Very high	103 Å²	103	68.7 Å²	68.7	72%	0.72	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-59.4	159.2	166.3	48.1	0	0	0	0	111.3	P120	P120-S506 VanDerWaalsContact CD-O 3.23Å; P120-S506 WeakPolarHBondContact CD-O 3.48Å
507	E	94.4	Very high	95.7	Very high	64 Å²	64	68.3 Å²	68.3	30%	0.299	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-70.5	144.4	172.2	-64.5	160.8	175.3	0	0	110	R116 R118 Q119	R116-E507 VanDerWaalsContact CD-OE1 3.27Å; R116-E507 WeakPolarHBondContact CD-OE1 3.34Å; R116-E507 IonicContact CZ-OE1 3.19Å; R116-E507 IonicContact NE-OE1 2.73Å; R116-E507 IonicContact NH1-OE1 2.82Å; R116-E507 PolarHBondContact NH1-OE1 3.21Å; R118-E507 HydrophobicContact CB-CB 3.96Å; R118-E507 HydrophobicContact CB-CG 4.25Å; R118-E507 IonicContact CZ-OE2 3.58Å; R118-E507 IonicContact NH1-OE2 3.69Å; R118-E507 PolarHBondContact NH1-OE2 3.02Å; R118-E507 IonicContact NH2-OE1 3.89Å; R118-E507 IonicContact NH2-OE2 2.72Å; R118-E507 PolarHBondContact NH2-OE2 3.27Å; R118-E507 CarbonylContact O-C 3.58Å; R118-E507 WeakPolarHBondContact O-CA 3.34Å; Q119-E507 HydrophobicContact CG-CG 4.28Å
508	D	95.6	Very high	95.6	Very high	29 Å²	29	61.7 Å²	61.7	16%	0.155	36%	0.363	C	S	.	.			trans	-104	124.9	-178.7	-171.4	-14.7	0	0	0	109.6	R118 P120 E510 A511 W523 M524	R118-D508 PolarHBondContact O-N 2.99Å; P120-D508 HydrophobicContact CG-CB 4.46Å; D508-E510 VanDerWaalsContact C-N 3.3Å; D508-E510 PolarHBondContact O-N 3.48Å; D508-E510 PolarHBondContact OD1-N 3.1Å; D508-A511 WeakPolarHBondContact O-CB 3.39Å; D508-A511 PolarHBondContact O-N 3.14Å; D508-W523 HydrophobicContact CB-CZ2 4.07Å; D508-W523 PolarHBondContact OD2-NE1 2.94Å; D508-M524 WeakPolarHBondContact OD2-CE 3.49Å
509	P	94.3	Very high	95.7	Very high	96 Å²	96	58.8 Å²	58.8	62%	0.623	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-62.3	-31	175.5	-23.8	35.4	0	0	0	114.3	A511 D512	P509-A511 PolarHBondContact O-N 3.08Å; P509-A511 VanDerWaalsContact O-N 3.11Å; P509-D512 WeakPolarHBondContact O-CB 3.31Å; P509-D512 PolarHBondContact O-N 3.19Å; P509-D512 VanDerWaalsContact O-N 3.07Å
510	E	95.8	Very high	95.7	Very high	116 Å²	116	57.5 Å²	57.5	54%	0.542	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-68.4	-11.6	-178.4	-62.5	-55.8	133.4	0	0	112.8	D508 D512 N516 W523	D508-E510 VanDerWaalsContact C-N 3.3Å; D508-E510 PolarHBondContact O-N 3.48Å; D508-E510 PolarHBondContact OD1-N 3.1Å; E510-D512 PolarHBondContact O-N 3.45Å; E510-N516 PolarHBondContact O-ND2 2.79Å; E510-W523 WeakPolarHBondContact O-CB 3.21Å
511	A	95.5	Very high	95.6	Very high	2 Å²	2	55.1 Å²	55.1	2%	0.017	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-74.8	-2.2	171.6	0	0	0	0	0	114.3	R118 D508 P509 P513 W520 W523	R118-A511 HydrophobicContact CB-CB 3.94Å; R118-A511 HydrophobicContact CG-CB 3.83Å; D508-A511 WeakPolarHBondContact O-CB 3.39Å; D508-A511 PolarHBondContact O-N 3.14Å; P509-A511 PolarHBondContact O-N 3.08Å; P509-A511 VanDerWaalsContact O-N 3.11Å; A511-P513 WeakPolarHBondContact O-CD 3.43Å; A511-W520 WeakPolarHBondContact O-CZ3 3.23Å; A511-W523 HydrophobicContact CB-CD2 3.57Å; A511-W523 HydrophobicContact CB-CE3 3.58Å; A511-W523 HydrophobicContact CB-CG 4.3Å; A511-W523 HydrophobicContact CB-CH2 3.58Å; A511-W523 HydrophobicContact CB-CZ2 3.57Å; A511-W523 HydrophobicContact CB-CZ3 3.59Å
512	D	95.7	Very high	95.6	Very high	41 Å²	41	52.8 Å²	52.8	22%	0.219	31%	0.307	C	S	.	.			trans	-58.5	122.3	178.1	-172.2	-33.8	0	0	0	110.7	L187 P509 E510 Q514 L515 N516	L187-D512 HydrophobicContact CD1-CB 4.18Å; L187-D512 VanDerWaalsContact CD1-OD1 3.27Å; L187-D512 WeakPolarHBondContact CD1-OD1 3.46Å; L187-D512 WeakPolarHBondContact CD1-OD2 3.3Å; P509-D512 WeakPolarHBondContact O-CB 3.31Å; P509-D512 PolarHBondContact O-N 3.19Å; P509-D512 VanDerWaalsContact O-N 3.07Å; E510-D512 PolarHBondContact O-N 3.45Å; D512-Q514 PolarHBondContact O-N 3.09Å; D512-Q514 VanDerWaalsContact O-N 3.09Å; D512-Q514 VanDerWaalsContact OD1-CB 3.27Å; D512-Q514 WeakPolarHBondContact OD1-CB 3.23Å; D512-Q514 WeakPolarHBondContact OD1-CG 3.4Å; D512-Q514 PolarHBondContact OD1-N 3.03Å; D512-L515 HydrophobicContact CB-CD1 4.04Å; D512-L515 HydrophobicContact CB-CG 4.07Å; D512-L515 WeakPolarHBondContact O-CB 3.34Å; D512-L515 PolarHBondContact O-N 3.05Å; D512-N516 PolarHBondContact O-N 2.98Å; D512-N516 PolarHBondContact O-ND2 2.91Å
513	P	95.8	Very high	95.5	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-27.5	177.1	-29.2	38.2	0	0	0	114.3	A511 L515 N516 G517 G518 W520	A511-P513 WeakPolarHBondContact O-CD 3.43Å; P513-L515 VanDerWaalsContact C-N 3.3Å; P513-L515 PolarHBondContact O-N 2.8Å; P513-N516 CarbonylContact O-C 3.25Å; P513-N516 VanDerWaalsContact O-C 3.25Å; P513-N516 PolarHBondContact O-N 3.08Å; P513-N516 VanDerWaalsContact O-N 3.07Å; P513-G517 PolarHBondContact O-N 2.89Å; P513-G518 VanDerWaalsContact O-CA 3.23Å; P513-G518 WeakPolarHBondContact O-CA 3.35Å; P513-G518 PolarHBondContact O-N 2.7Å; P513-W520 HydrophobicContact CG-CD2 3.52Å; P513-W520 VanDerWaalsContact CG-CE2 3.4Å; P513-W520 HydrophobicContact CG-CE3 3.77Å; P513-W520 HydrophobicContact CG-CG 4.08Å; P513-W520 HydrophobicContact CG-CH2 3.85Å; P513-W520 HydrophobicContact CG-CZ2 3.6Å; P513-W520 HydrophobicContact CG-CZ3 3.92Å
514	Q	93.7	Very high	95.3	Very high	147 Å²	147	51.2 Å²	51.2	69%	0.687	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-31.7	177.5	-59.4	-176.3	40.5	0	0	112.2	D512 N516	D512-Q514 PolarHBondContact O-N 3.09Å; D512-Q514 VanDerWaalsContact O-N 3.09Å; D512-Q514 VanDerWaalsContact OD1-CB 3.27Å; D512-Q514 WeakPolarHBondContact OD1-CB 3.23Å; D512-Q514 WeakPolarHBondContact OD1-CG 3.4Å; D512-Q514 PolarHBondContact OD1-N 3.03Å; Q514-N516 VanDerWaalsContact C-N 3.33Å
515	L	94.4	Very high	94.3	Very high	108 Å²	108	50 Å²	50	57%	0.565	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-25.2	171.2	-56.1	176.5	0	0	0	111.5	D512 P513	D512-L515 HydrophobicContact CB-CD1 4.04Å; D512-L515 HydrophobicContact CB-CG 4.07Å; D512-L515 WeakPolarHBondContact O-CB 3.34Å; D512-L515 PolarHBondContact O-N 3.05Å; P513-L515 VanDerWaalsContact C-N 3.3Å; P513-L515 PolarHBondContact O-N 2.8Å
516	N	91.9	Very high	92.7	Very high	51 Å²	51	53.2 Å²	53.2	27%	0.273	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	37.4	-173.8	-64.5	-84.4	0	0	0	113.4	E510 D512 P513 Q514 G518	E510-N516 PolarHBondContact O-ND2 2.79Å; D512-N516 PolarHBondContact O-N 2.98Å; D512-N516 PolarHBondContact O-ND2 2.91Å; P513-N516 CarbonylContact O-C 3.25Å; P513-N516 VanDerWaalsContact O-C 3.25Å; P513-N516 PolarHBondContact O-N 3.08Å; P513-N516 VanDerWaalsContact O-N 3.07Å; Q514-N516 VanDerWaalsContact C-N 3.33Å; N516-G518 PolarHBondContact O-N 2.77Å
517	G	92.6	Very high	90.5	Very high	64 Å²	64	57.4 Å²	57.4	66%	0.66	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	23.5	172	0	0	0	0	0	115.7	P513	P513-G517 PolarHBondContact O-N 2.89Å
518	G	96	Very high	88.5	Confident	33 Å²	33	59 Å²	59	34%	0.34	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	9.4	-179.9	0	0	0	0	0	114.9	F190 P513 N516	F190-G518 PolarHBondContact N-O 2.88Å; P513-G518 VanDerWaalsContact O-CA 3.23Å; P513-G518 WeakPolarHBondContact O-CA 3.35Å; P513-G518 PolarHBondContact O-N 2.7Å; N516-G518 PolarHBondContact O-N 2.77Å
519	A	97.4	Very high	86.2	Confident	4 Å²	4	64.1 Å²	64.1	3%	0.033	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-130.1	153.3	-176.3	0	0	0	0	0	112.1	F190 V198 W200	F190-A519 HydrophobicContact CB-CB 4.43Å; F190-A519 CarbonylContact O-C 3.56Å; F190-A519 VanDerWaalsContact O-CA 3.23Å; F190-A519 WeakPolarHBondContact O-CA 3.45Å; F190-A519 WeakPolarHBondContact O-CB 3.19Å; V198-A519 HydrophobicContact CG1-CB 3.9Å; V198-A519 HydrophobicContact CG2-CB 3.8Å; W200-A519 HydrophobicContact CH2-CB 4.22Å; W200-A519 HydrophobicContact CZ2-CB 4.06Å
520	W	97.9	Very high	83.7	Confident	2 Å²	2	67.4 Å²	67.4	1%	0.008	37%	0.368	C	S	.	.			trans	-74.8	139.2	166.3	-66.9	100.6	0	0	0	109.2	P117 R118 F151 T171 S181 D183 L187 F190 D191 H193 A511 P513	P117-W520 HydrophobicContact CB-CD2 4.04Å; P117-W520 HydrophobicContact CB-CE3 3.67Å; P117-W520 HydrophobicContact CB-CH2 3.58Å; P117-W520 HydrophobicContact CB-CZ2 3.94Å; P117-W520 HydrophobicContact CB-CZ3 3.43Å; P117-W520 VanDerWaalsContact CB-CZ3 3.43Å; R118-W520 HydrophobicContact CG-CH2 3.94Å; R118-W520 HydrophobicContact CG-CZ3 3.89Å; F151-W520 HydrophobicContact CE2-CB 4.2Å; F151-W520 HydrophobicContact CE2-CE3 4.3Å; F151-W520 HydrophobicContact CZ-CB 4.29Å; F151-W520 HydrophobicContact CZ-CE3 4.14Å; T171-W520 HydrophobicContact CG2-CB 3.98Å; T171-W520 HydrophobicContact CG2-CD2 4.15Å; T171-W520 HydrophobicContact CG2-CG 3.76Å; S181-W520 PolarHBondContact O-NE1 2.72Å; D183-W520 HydrophobicContact CB-CH2 4.11Å; D183-W520 HydrophobicContact CB-CZ2 4.15Å; L187-W520 HydrophobicContact CD2-CH2 3.79Å; L187-W520 HydrophobicContact CD2-CZ2 4.43Å; L187-W520 HydrophobicContact CG-CH2 4.12Å; L187-W520 HydrophobicContact CG-CZ2 4.32Å; F190-W520 PolarHBondContact O-N 2.94Å; D191-W520 HydrophobicContact CB-CB 4.45Å; H193-W520 PolarHBondContact CE1-O 2.98Å; H193-W520 PolarHBondContact NE2-O 3.17Å; H193-W520 VanDerWaalsContact NE2-O 3.09Å; A511-W520 WeakPolarHBondContact O-CZ3 3.23Å; P513-W520 HydrophobicContact CG-CD2 3.52Å; P513-W520 VanDerWaalsContact CG-CE2 3.4Å; P513-W520 HydrophobicContact CG-CE3 3.77Å; P513-W520 HydrophobicContact CG-CG 4.08Å; P513-W520 HydrophobicContact CG-CH2 3.85Å; P513-W520 HydrophobicContact CG-CZ2 3.6Å; P513-W520 HydrophobicContact CG-CZ3 3.92Å
521	G	97	Very high	81.1	Confident	12 Å²	12	68 Å²	68	12%	0.124	38%	0.375	C	S	.	.			trans	-179.7	-177.6	-178.4	0	0	0	0	0	111.4	F151 W523	F151-G521 WeakPolarHBondContact CD2-O 3.44Å; G521-W523 PolarHBondContact O-N 3.44Å
522	P	97.1	Very high	78.6	Confident	43 Å²	43	74.6 Å²	74.6	28%	0.279	40%	0.4	S	S	.	.			trans	-63.5	130.9	173.6	-18.8	30.8	0	0	0	111.7	F151 Y152 K154 L157	F151-P522 WeakPolarHBondContact O-CA 3.23Å; F151-P522 WeakPolarHBondContact O-CB 3.25Å; F151-P522 WeakPolarHBondContact O-CG 3.49Å; Y152-P522 WeakPolarHBondContact O-CA 3.27Å; K154-P522 HydrophobicContact CG-CB 4.31Å; K154-P522 HydrophobicContact CG-CG 4.17Å; L157-P522 HydrophobicContact CD1-CG 3.96Å; L157-P522 HydrophobicContact CD2-CG 4.08Å; L157-P522 HydrophobicContact CG-CG 4.17Å
523	W	95.6	Very high	76.2	Confident	36 Å²	36	74.9 Å²	74.9	14%	0.136	41%	0.408	C	S	.	.			trans	-115.6	-23.1	177.2	67	91.1	0	0	0	112.8	P117 P120 F151 Y152 D508 E510 A511 G521	P117-W523 WeakPolarHBondContact O-CH2 3.37Å; P117-W523 WeakPolarHBondContact O-CZ3 3.14Å; P120-W523 HydrophobicContact CB-CZ2 4.2Å; F151-W523 HydrophobicContact CD2-CZ3 4.2Å; F151-W523 HydrophobicContact CE2-CE3 4.48Å; F151-W523 AromaticContact CE2-CZ3 3.83Å; F151-W523 HydrophobicContact CE2-CZ3 3.83Å; Y152-W523 VanDerWaalsContact CB-CZ2 3.47Å; Y152-W523 PolarHBondContact O-N 3.14Å; Y152-W523 VanDerWaalsContact O-N 3.1Å; D508-W523 HydrophobicContact CB-CZ2 4.07Å; D508-W523 PolarHBondContact OD2-NE1 2.94Å; E510-W523 WeakPolarHBondContact O-CB 3.21Å; A511-W523 HydrophobicContact CB-CD2 3.57Å; A511-W523 HydrophobicContact CB-CE3 3.58Å; A511-W523 HydrophobicContact CB-CG 4.3Å; A511-W523 HydrophobicContact CB-CH2 3.58Å; A511-W523 HydrophobicContact CB-CZ2 3.57Å; A511-W523 HydrophobicContact CB-CZ3 3.59Å; G521-W523 PolarHBondContact O-N 3.44Å
524	M	91.5	Very high	73.6	Confident	23 Å²	23	79.2 Å²	79.2	11%	0.113	43%	0.434	C	S	.	.			trans	-85.9	134.4	174.4	-74.2	-172.3	-174.5	0	0	111.9	P120 Y152 K153 D508	P120-M524 HydrophobicContact CB-CE 3.48Å; P120-M524 VanDerWaalsContact CB-CE 3.48Å; P120-M524 HydrophobicContact CB-SD 4.28Å; P120-M524 HydrophobicContact CG-CE 4.31Å; Y152-M524 HydrophobicContact CD2-CB 4.2Å; Y152-M524 HydrophobicContact CD2-CE 4.3Å; Y152-M524 HydrophobicContact CD2-CG 4.05Å; Y152-M524 HydrophobicContact CD2-SD 3.44Å; Y152-M524 WeakPolarHBondContact CD2-SD 3.4Å; Y152-M524 HydrophobicContact CE2-SD 3.5Å; Y152-M524 WeakPolarHBondContact CE2-SD 3.16Å; Y152-M524 PolarHBondContact O-N 2.9Å; Y152-M524 VanDerWaalsContact O-N 3.08Å; K153-M524 HydrophobicContact CG-CB 3.83Å; D508-M524 WeakPolarHBondContact OD2-CE 3.49Å
525	G	76.4	Confident	71.2	Confident	42 Å²	42	75.4 Å²	75.4	43%	0.433	42%	0.421	S	S	.	.			trans	-79.2	179.4	171	0	0	0	0	0	114.1	K153	K153-G525 WeakPolarHBondContact CE-O 3.22Å; K153-G525 PolarHBondContact NZ-O 3.11Å
526	D	61.9	Low	68.8	Low	100 Å²	100	75.5 Å²	75.5	54%	0.535	41%	0.414	S	S	.	.	S	Bend	trans	-78	-26	-176	-55.3	-27.7	0	0	0	111.7	E528	D526-E528 PolarHBondContact O-N 3.22Å
527	E	51	Low	66.3	Low	191 Å²	191	80.3 Å²	80.3	89%	0.893	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-17.1	-168.8	-61	-176.2	168.6	0	0	115.8	E529	E527-E529 PolarHBondContact O-N 3.45Å; E527-E529 VanDerWaalsContact O-N 3.11Å
528	E	52.1	Low	63.6	Low	99 Å²	99	84.9 Å²	84.9	46%	0.463	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	7.5	-174.8	-64.5	-163.5	139.1	0	0	115.5	D526 E530	D526-E528 PolarHBondContact O-N 3.22Å; E528-E530 PolarHBondContact O-N 3.06Å
529	E	46.5	Very low	61.1	Low	136 Å²	136	89 Å²	89	64%	0.636	45%	0.445	S	S	*	.	H	α-helix	trans	-68.6	-30.2	-169.1	-159.6	169.5	-132.2	0	0	113.9	E527 N531 A533	E527-E529 PolarHBondContact O-N 3.45Å; E527-E529 VanDerWaalsContact O-N 3.11Å; E529-N531 PolarHBondContact O-N 2.82Å; E529-A533 WeakPolarHBondContact O-CB 3.34Å; E529-A533 PolarHBondContact O-N 2.8Å
530	E	41.3	Very low	58.3	Low	165 Å²	165	92 Å²	92	77%	0.771	46%	0.46	S	S	*	.	H	α-helix	trans	-66.5	-34.5	-176.9	-66.4	-161.1	136	0	0	113.7	E528 T534	E528-E530 PolarHBondContact O-N 3.06Å; E530-T534 WeakPolarHBondContact O-CB 3.38Å; E530-T534 PolarHBondContact O-OG1 2.94Å
531	N	42.6	Very low	55.3	Low	127 Å²	127	98.6 Å²	98.6	68%	0.679	49%	0.493	S	S	*	.	H	α-helix	trans	-75.2	-50.6	-176	-84.7	-35.8	0	0	0	112.2	E529 T534 V535	E529-N531 PolarHBondContact O-N 2.82Å; N531-T534 WeakPolarHBondContact O-CB 3.45Å; N531-T534 PolarHBondContact O-N 3.38Å; N531-V535 PolarHBondContact O-N 2.92Å
532	W	42.6	Very low	52.3	Low	142 Å²	142	104.4 Å²	104.4	54%	0.538	52%	0.517	S	S	.	.	H	α-helix	trans	-70.5	-36.8	-174.9	-76.8	109.9	0	0	0	113.7	T534 V535 Y536	W532-T534 PolarHBondContact O-N 3.42Å; W532-V535 PolarHBondContact O-N 2.87Å; W532-Y536 PolarHBondContact O-N 2.91Å; W532-Y536 VanDerWaalsContact O-N 3.07Å
533	A	45.6	Very low	49.4	Very low	47 Å²	47	109.6 Å²	109.6	39%	0.388	53%	0.531	S	S	.	.	H	α-helix	trans	-61.9	-32	174.7	0	0	0	0	0	112.1	E529 K537	E529-A533 WeakPolarHBondContact O-CB 3.34Å; E529-A533 PolarHBondContact O-N 2.8Å; A533-K537 WeakPolarHBondContact O-CB 3.07Å; A533-K537 WeakPolarHBondContact O-CG 3.43Å; A533-K537 PolarHBondContact O-N 3.11Å; A533-K537 VanDerWaalsContact O-N 3.13Å
534	T	40.2	Very low	46.7	Very low	91 Å²	91	114.2 Å²	114.2	56%	0.558	55%	0.552	S	S	*	*	H	α-helix	trans	-73.5	-41	178.7	-59.5	0	0	0	0	111.8	E530 N531 W532 K538	E530-T534 WeakPolarHBondContact O-CB 3.38Å; E530-T534 PolarHBondContact O-OG1 2.94Å; N531-T534 WeakPolarHBondContact O-CB 3.45Å; N531-T534 PolarHBondContact O-N 3.38Å; W532-T534 PolarHBondContact O-N 3.42Å; T534-K538 PolarHBondContact O-N 3.04Å
535	V	43.2	Very low	44	Very low	67 Å²	67	123.7 Å²	123.7	41%	0.406	59%	0.587	S	S	.	*	H	α-helix	trans	-63	-52.8	174.5	176.9	0	0	0	0	111.1	N531 W532 K537 K538 E539	N531-V535 PolarHBondContact O-N 2.92Å; W532-V535 PolarHBondContact O-N 2.87Å; V535-K537 VanDerWaalsContact C-N 3.34Å; V535-K537 PolarHBondContact O-N 2.78Å; V535-K538 VanDerWaalsContact O-CB 3.29Å; V535-K538 WeakPolarHBondContact O-CB 3.23Å; V535-K538 PolarHBondContact O-N 3.43Å; V535-E539 PolarHBondContact O-N 3.15Å
536	Y	44.2	Very low	42.2	Very low	110 Å²	110	130.3 Å²	130.3	43%	0.431	60%	0.603	S	S	.	*	H	α-helix	trans	-62.6	-35.6	-179.2	-97.1	-88.1	0	0	0	113.4	W532 K538 N540	W532-Y536 PolarHBondContact O-N 2.91Å; W532-Y536 VanDerWaalsContact O-N 3.07Å; Y536-K538 VanDerWaalsContact C-N 3.3Å; Y536-K538 PolarHBondContact O-N 3.31Å; Y536-N540 VanDerWaalsContact O-CB 3.24Å; Y536-N540 WeakPolarHBondContact O-CB 3.08Å; Y536-N540 PolarHBondContact O-N 2.8Å
537	K	40.5	Very low	41.1	Very low	153 Å²	153	132.7 Å²	132.7	67%	0.665	61%	0.609	S	S	*	*	H	α-helix	trans	-61.9	-37.9	172.7	-86.1	175.9	178.7	168.2	0	111.8	A533 V535 M541	A533-K537 WeakPolarHBondContact O-CB 3.07Å; A533-K537 WeakPolarHBondContact O-CG 3.43Å; A533-K537 PolarHBondContact O-N 3.11Å; A533-K537 VanDerWaalsContact O-N 3.13Å; V535-K537 VanDerWaalsContact C-N 3.34Å; V535-K537 PolarHBondContact O-N 2.78Å; K537-M541 WeakPolarHBondContact O-CB 3.46Å; K537-M541 WeakPolarHBondContact O-CG 3.36Å; K537-M541 PolarHBondContact O-N 3.36Å; K537-M541 VanDerWaalsContact O-N 3.09Å
538	K	35.6	Very low	40.2	Very low	159 Å²	159	132.9 Å²	132.9	69%	0.691	61%	0.607	S	S	*	*	H	α-helix	trans	-65.5	-50.6	-177.9	-140	173.5	-176.2	179.7	0	111.4	T534 V535 Y536 N540 M541 E542	T534-K538 PolarHBondContact O-N 3.04Å; V535-K538 VanDerWaalsContact O-CB 3.29Å; V535-K538 WeakPolarHBondContact O-CB 3.23Å; V535-K538 PolarHBondContact O-N 3.43Å; Y536-K538 VanDerWaalsContact C-N 3.3Å; Y536-K538 PolarHBondContact O-N 3.31Å; K538-N540 PolarHBondContact O-N 2.81Å; K538-M541 PolarHBondContact O-N 3.07Å; K538-E542 PolarHBondContact O-N 3.11Å
539	E	42.5	Very low	39.3	Very low	120 Å²	120	136.6 Å²	136.6	56%	0.561	63%	0.626	S	S	*	*	H	α-helix	trans	-63.6	-41.6	178.5	-62.6	-173.8	152.1	0	0	112.5	V535 M541 E542 W543	V535-E539 PolarHBondContact O-N 3.15Å; E539-M541 VanDerWaalsContact C-N 3.29Å; E539-M541 PolarHBondContact O-N 3.4Å; E539-E542 PolarHBondContact O-N 3.46Å; E539-W543 PolarHBondContact O-N 2.99Å
540	N	39.7	Very low	38.9	Very low	67 Å²	67	138.3 Å²	138.3	36%	0.358	64%	0.639	S	S	.	*	H	α-helix	trans	-68.2	-29.3	-179.5	-157	-31.6	0	0	0	111.9	Y536 K538 K544	Y536-N540 VanDerWaalsContact O-CB 3.24Å; Y536-N540 WeakPolarHBondContact O-CB 3.08Å; Y536-N540 PolarHBondContact O-N 2.8Å; K538-N540 PolarHBondContact O-N 2.81Å; N540-K544 WeakPolarHBondContact O-CB 3.27Å; N540-K544 VanDerWaalsContact O-CG 3.31Å; N540-K544 WeakPolarHBondContact O-CG 3.27Å; N540-K544 PolarHBondContact O-N 2.87Å; N540-K544 VanDerWaalsContact O-N 3.1Å; N540-K544 WeakPolarHBondContact OD1-CE 3.36Å
541	M	33.9	Very low	38.4	Very low	140 Å²	140	140 Å²	140	69%	0.69	64%	0.644	S	S	*	*	H	α-helix	trans	-69.2	-41.1	171.3	-75.1	-110	-81.4	0	0	112.7	K537 K538 E539 R545	K537-M541 WeakPolarHBondContact O-CB 3.46Å; K537-M541 WeakPolarHBondContact O-CG 3.36Å; K537-M541 PolarHBondContact O-N 3.36Å; K537-M541 VanDerWaalsContact O-N 3.09Å; K538-M541 PolarHBondContact O-N 3.07Å; E539-M541 VanDerWaalsContact C-N 3.29Å; E539-M541 PolarHBondContact O-N 3.4Å; M541-R545 PolarHBondContact O-N 2.73Å
542	E	35.1	Very low	37.9	Very low	135 Å²	135	139.7 Å²	139.7	63%	0.631	65%	0.652	S	S	*	*	H	α-helix	trans	-66.2	-41.3	175.2	-67.3	-163.4	161.2	0	0	112.1	K538 E539 R545 K546	K538-E542 PolarHBondContact O-N 3.11Å; E539-E542 PolarHBondContact O-N 3.46Å; E542-R545 PolarHBondContact O-N 2.04Å; E542-K546 PolarHBondContact O-N 3.28Å
543	W	36.4	Very low	37.6	Very low	151 Å²	151	144.5 Å²	144.5	57%	0.572	67%	0.67	S	S	*	*	H	α-helix	trans	-62	-45.7	176.8	-168.8	86.7	0	0	0	112.1	E539 R545 K546 F547	E539-W543 PolarHBondContact O-N 2.99Å; W543-R545 VanDerWaalsContact C-N 3.29Å; W543-R545 PolarHBondContact O-N 3.31Å; W543-K546 PolarHBondContact O-N 2.82Å; W543-K546 VanDerWaalsContact O-N 3.16Å; W543-F547 HydrophobicContact CZ2-CD2 4.16Å; W543-F547 HydrophobicContact CZ2-CE2 4.24Å
544	K	37.6	Very low	36.9	Very low	133 Å²	133	148 Å²	148	58%	0.578	69%	0.691	S	S	*	*	H	α-helix	trans	-63.8	-28.6	177.3	-76.8	173.3	-179.6	169.4	0	113.7	N540	N540-K544 WeakPolarHBondContact O-CB 3.27Å; N540-K544 VanDerWaalsContact O-CG 3.31Å; N540-K544 WeakPolarHBondContact O-CG 3.27Å; N540-K544 PolarHBondContact O-N 2.87Å; N540-K544 VanDerWaalsContact O-N 3.1Å; N540-K544 WeakPolarHBondContact OD1-CE 3.36Å
545	R	36.1	Very low	36.7	Very low	223 Å²	223	151.3 Å²	151.3	84%	0.842	70%	0.698	S	S	*	*	H	α-helix	trans	-66.6	-37.6	173.6	-88.6	-179.2	164.8	176.7	-4.5	112.4	M541 E542 W543 F547	M541-R545 PolarHBondContact O-N 2.73Å; E542-R545 PolarHBondContact O-N 2.04Å; W543-R545 VanDerWaalsContact C-N 3.29Å; W543-R545 PolarHBondContact O-N 3.31Å; R545-F547 PolarHBondContact O-N 3.07Å
546	K	37.9	Very low	36.6	Very low	180 Å²	180	153.8 Å²	153.8	78%	0.783	70%	0.704	S	S	*	*	H	α-helix	trans	-70.9	-25.8	-179.3	-74.1	178	176.8	170.1	0	114.1	E542 W543	E542-K546 PolarHBondContact O-N 3.28Å; W543-K546 PolarHBondContact O-N 2.82Å; W543-K546 VanDerWaalsContact O-N 3.16Å
547	F	38	Very low	36	Very low	151 Å²	151	160.3 Å²	160.3	66%	0.662	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	5	-172	-111.5	-85.2	0	0	0	116.3	W543 R545 M549	W543-F547 HydrophobicContact CZ2-CD2 4.16Å; W543-F547 HydrophobicContact CZ2-CE2 4.24Å; R545-F547 PolarHBondContact O-N 3.07Å; F547-M549 VanDerWaalsContact C-N 3.32Å; F547-M549 PolarHBondContact O-N 3Å
548	K	32.3	Very low	35.7	Very low	195 Å²	195	163.8 Å²	163.8	85%	0.848	74%	0.737	S	S	*	*			trans	-79.9	-6.2	-173.5	-146.5	176.5	-178.2	-176.1	0	114.9
549	M	34.1	Very low	35.9	Very low	176 Å²	176	159.7 Å²	159.7	87%	0.867	72%	0.722	S	S	*	*	S	Bend	trans	-108.2	81.2	176.4	-72.8	-156.4	-75	0	0	112.5	F547	F547-M549 VanDerWaalsContact C-N 3.32Å; F547-M549 PolarHBondContact O-N 3Å
550	L	37.8	Very low	35.5	Very low	172 Å²	172	161.7 Å²	161.7	90%	0.901	74%	0.736	S	S	*	*			trans	168.1	107.6	148	-93.6	157	0	0	0	110
551	K	30.5	Very low	35.2	Very low	201 Å²	201	164.6 Å²	164.6	87%	0.874	76%	0.757	S	S	*	*			trans	-141	118	167.3	-79.8	-174.5	178.4	176.3	0	110.4
552	S	32.3	Very low	35.2	Very low	121 Å²	121	168.2 Å²	168.2	85%	0.846	76%	0.763	S	S	*	*			trans	-132.8	134.8	151.2	69	0	0	0	0	109
553	R	36.1	Very low	35.5	Very low	243 Å²	243	167 Å²	167	92%	0.917	76%	0.758	S	S	*	*			trans	-117.4	111.7	-179.3	-80.1	177.5	162.1	-178	-6.9	107.5
554	S	30.8	Very low	35.3	Very low	120 Å²	120	169.1 Å²	169.1	84%	0.839	78%	0.777	S	S	*	*			trans	-157.7	-34.1	173.4	-171.6	0	0	0	0	114.6	F556	S554-F556 PolarHBondContact O-N 3.47Å
555	F	35.5	Very low	35.2	Very low	160 Å²	160	167.2 Å²	167.2	70%	0.702	78%	0.78	S	S	*	*	G	3₁₀ helix	trans	-75.3	-28.2	-162.6	-166.2	-107.5	0	0	0	117.4	R557	F555-R557 PolarHBondContact O-N 2.73Å
556	F	41.1	Very low	34.9	Very low	120 Å²	120	164.2 Å²	164.2	53%	0.526	78%	0.781	S	S	.	*	G	3₁₀ helix	trans	-91.7	7.7	-154.6	-74	-79.2	0	0	0	117.8	S554 R558 L559	S554-F556 PolarHBondContact O-N 3.47Å; F556-R558 PolarHBondContact O-N 3.09Å; F556-L559 HydrophobicContact CD1-CD1 4.2Å; F556-L559 HydrophobicContact CE1-CD1 4.38Å
557	R	31.4	Very low	34.7	Very low	247 Å²	247	167.5 Å²	167.5	93%	0.932	79%	0.789	S	S	*	*	G	3₁₀ helix	trans	-86.5	5.3	-178.1	-137.4	179.2	-171.6	-173.2	1.6	115.3	F555	F555-R557 PolarHBondContact O-N 2.73Å
558	R	34.2	Very low	34.5	Very low	225 Å²	225	171.8 Å²	171.8	85%	0.849	82%	0.816	S	S	*	*	G	3₁₀ helix	trans	-116.7	1.2	-173.7	-87.4	-174.3	174.8	178.2	-1.3	116.6	F556	F556-R558 PolarHBondContact O-N 3.09Å
559	L	40.6	Very low	34.6	Very low	73 Å²	73	170.7 Å²	170.7	38%	0.382	81%	0.814	S	S	.	*	S	Bend	trans	-90	-30.8	-172.7	-94.5	152.5	0	0	0	115.1	F556 T561	F556-L559 HydrophobicContact CD1-CD1 4.2Å; F556-L559 HydrophobicContact CE1-CD1 4.38Å; L559-T561 PolarHBondContact O-N 2.78Å; L559-T561 VanDerWaalsContact O-N 3.08Å
560	N	33.3	Very low	34.6	Very low	162 Å²	162	170.4 Å²	170.4	87%	0.866	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-13.6	-175.4	-79.2	23	0	0	0	115.3
561	T	33.6	Very low	34.5	Very low	128 Å²	128	170.3 Å²	170.3	79%	0.785	81%	0.807	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-3.6	-172.9	-18.8	0	0	0	0	114.3	L559	L559-T561 PolarHBondContact O-N 2.78Å; L559-T561 VanDerWaalsContact O-N 3.08Å
562	R	34.3	Very low	34.7	Very low	217 Å²	217	168.5 Å²	168.5	82%	0.819	80%	0.803	S	S	*	*	S	Bend	trans	-105.2	-4.6	-168.6	-137.2	177.1	-172.1	-175.4	1.7	116
563	M	41.4	Very low	34.8	Very low	108 Å²	108	171.4 Å²	171.4	53%	0.532	80%	0.8	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.3	-5.6	-177.6	-62	-173.8	72.4	0	0	114.7	F386	F386-M563 HydrophobicContact CD1-CE 4.45Å; F386-M563 HydrophobicContact CE1-CE 3.38Å; F386-M563 HydrophobicContact CE1-SD 4.38Å; F386-M563 HydrophobicContact CZ-CE 3.64Å
564	M	33	Very low	34.7	Very low	196 Å²	196	166.7 Å²	166.7	97%	0.966	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	2.5	-178	-77.2	-164.6	152.8	0	0	115.2
565	S	34.3	Very low	35	Very low	93 Å²	93	170 Å²	170	65%	0.65	79%	0.789	S	S	*	*			trans	-134.8	95.4	177.2	-171.8	0	0	0	0	111
566	N	31	Very low	35	Very low	160 Å²	160	170.8 Å²	170.8	86%	0.856	80%	0.796	S	S	*	*			trans	-179.3	81.1	141.5	-89.1	-14.8	0	0	0	109.1
567	R	33.9	Very low	34.5	Very low	250 Å²	250	175 Å²	175	94%	0.943	82%	0.818	S	S	*	*			trans	-104.9	101.2	156.5	-84.8	-173	176.5	173.8	1.7	108
568	I	32.9	Very low	34.8	Very low	241 Å²	241	168.5 Å²	168.5	100%	1.236	81%	0.808	S	S	*	*			trans	-138	0	150.8	-59.1	-175	0	0	0	105

Retrieved 568 of 568 residues in 122.7 ms (Link to these results)

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