A0A096N7S3_PAPAN Loading...

Sodium channel regulatory subunit beta-2

Regulatory subunit of multiple voltage-gated sodium (Nav) channels directly mediating the depolarization of excitable membranes. Navs, also called VGSCs (voltage-gated sodium channels) or VDSCs (voltage-dependent sodium channels), operate by switching between closed and open conformations depending on the voltage difference across the membrane. In the open conformation they allow Na(+) ions to selectively pass through the pore, along their electrochemical gradient. The influx of Na+ ions provokes membrane depolarization, initiating the propagation of electrical signals throughout cells and tissues. The accessory beta subunits participate in localization and functional modulation of the Nav channels. Modulates the activity of SCN1A/Nav1.1, SCN2A/Nav1.2, SCN2A/Nav1.3, SCN5A/Nav1.5, SCN8A/Nav1.6, SCN9A/Nav1.7 and SCN10A/Nav1.8.

AlphaFold DB (G7NCB5), UniProt , Accession A0A096N7S3, Species PAPAN (Papio anubis, Olive baboon), Gene SCN2B, Length 215 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.1	Very low	45.1	Very low	238 Å²	238	169.3 Å²	169.3	100%	1.172	85%	0.854	S	S	*	*				0	99.7	0	-82.8	169.7	165.6	0	0	108.9
2	H	38.9	Very low	45.4	Very low	203 Å²	203	170 Å²	170	94%	0.94	85%	0.848	S	S	*	*			trans	-170.3	135.3	136.3	-105.5	-53.3	0	0	0	109.2
3	R	40.6	Very low	45.6	Very low	223 Å²	223	164.3 Å²	164.3	84%	0.842	84%	0.835	S	S	*	*			trans	-83.3	149.5	-167.8	-76.5	152.9	59.9	-164.9	0.1	112.2
4	D	45.7	Very low	46	Very low	142 Å²	142	164.8 Å²	164.8	76%	0.759	84%	0.839	S	S	*	*			trans	13.8	128.8	143.6	-46.3	-48.3	0	0	0	119.4
5	A	48.9	Very low	46.5	Very low	93 Å²	93	161.9 Å²	161.9	77%	0.769	83%	0.833	S	S	*	*			trans	-153.4	97.2	138.6	0	0	0	0	0	109.9
6	W	48.8	Very low	47.1	Very low	248 Å²	248	155.9 Å²	155.9	94%	0.939	82%	0.823	S	S	*	*			trans	-66.4	125.7	158.9	-84.9	54.4	0	0	0	108.8
7	L	43.2	Very low	47.6	Very low	159 Å²	159	157.1 Å²	157.1	83%	0.832	83%	0.829	S	S	*	*			trans	-124.4	122.2	161.7	-73.7	174.8	0	0	0	108.5
8	P	43.5	Very low	48.1	Very low	119 Å²	119	154.4 Å²	154.4	77%	0.773	83%	0.825	S	S	*	*			trans	-73.9	138.2	178.2	28.9	-29.7	0	0	0	110.2
9	R	47.6	Very low	48.5	Very low	236 Å²	236	154.2 Å²	154.2	89%	0.891	82%	0.823	S	S	*	*			trans	-61.5	134.2	172.9	-62.8	179.5	176.6	-157.9	-1.5	109.3	A11	R9-A11 PolarHBondContact O-N 3.41Å; R9-A11 VanDerWaalsContact O-N 3.1Å
10	P	43.8	Very low	48.8	Very low	102 Å²	102	156.8 Å²	156.8	66%	0.662	83%	0.827	S	S	*	*			trans	-68.9	110.9	171.3	27.3	-30.6	0	0	0	108.7	F12	P10-F12 HydrophobicContact CB-CD2 4.38Å; P10-F12 HydrophobicContact CB-CE2 4.02Å; P10-F12 HydrophobicContact CG-CD2 4.43Å; P10-F12 HydrophobicContact CG-CE2 3.84Å; P10-F12 PolarHBondContact O-N 3.22Å; P10-F12 VanDerWaalsContact O-N 3.09Å
11	A	52	Low	49.3	Very low	99 Å²	99	158 Å²	158	82%	0.818	83%	0.826	S	S	*	*			trans	-72.2	95.3	166.7	0	0	0	0	0	107.9	R9 S13	R9-A11 PolarHBondContact O-N 3.41Å; R9-A11 VanDerWaalsContact O-N 3.1Å; A11-S13 PolarHBondContact O-N 3.42Å
12	F	48.2	Very low	49.9	Very low	178 Å²	178	151 Å²	151	78%	0.781	80%	0.801	S	S	*	*			trans	-67.5	103.5	167.3	-73.5	-82.7	0	0	0	108.2	P10 L14	P10-F12 HydrophobicContact CB-CD2 4.38Å; P10-F12 HydrophobicContact CB-CE2 4.02Å; P10-F12 HydrophobicContact CG-CD2 4.43Å; P10-F12 HydrophobicContact CG-CE2 3.84Å; P10-F12 PolarHBondContact O-N 3.22Å; P10-F12 VanDerWaalsContact O-N 3.09Å; F12-L14 PolarHBondContact O-N 3.43Å; F12-L14 VanDerWaalsContact O-N 3.08Å
13	S	48.7	Very low	51.1	Low	96 Å²	96	149.5 Å²	149.5	67%	0.671	80%	0.798	S	S	*	*			trans	-68.4	100.2	174.7	-174.8	0	0	0	0	109.7	A11 T15	A11-S13 PolarHBondContact O-N 3.42Å; S13-T15 PolarHBondContact O-N 3.02Å; S13-T15 PolarHBondContact OG-OG1 3.46Å
14	L	51.3	Low	52.2	Low	171 Å²	171	144 Å²	144	90%	0.895	79%	0.79	S	S	*	*			trans	-78.2	52.3	168.5	-78.4	162.6	0	0	0	110.6	F12	F12-L14 PolarHBondContact O-N 3.43Å; F12-L14 VanDerWaalsContact O-N 3.08Å
15	T	53.7	Low	53.1	Low	122 Å²	122	142 Å²	142	75%	0.748	79%	0.785	S	S	*	*			trans	-121.6	71.1	176	54.3	0	0	0	0	109.8	S13	S13-T15 PolarHBondContact O-N 3.02Å; S13-T15 PolarHBondContact OG-OG1 3.46Å
16	G	55.9	Low	53.8	Low	66 Å²	66	143.3 Å²	143.3	68%	0.68	79%	0.785	S	S	*	*	S	Bend	trans	-171.5	32	-176.2	0	0	0	0	0	115.8
17	L	55.2	Low	54.3	Low	176 Å²	176	134.1 Å²	134.1	92%	0.921	77%	0.768	S	S	*	*	S	Bend	trans	-167.2	90.3	163.7	-134.3	93.6	0	0	0	109.3
18	S	57.4	Low	55.4	Low	109 Å²	109	137.3 Å²	137.3	76%	0.762	77%	0.768	S	S	*	*			trans	174.1	73.3	147.2	-162.2	0	0	0	0	110.7
19	L	55	Low	57.1	Low	150 Å²	150	135.6 Å²	135.6	79%	0.785	76%	0.759	S	S	*	*			trans	-133.9	49.8	160.5	-79.5	173.1	0	0	0	109.4	F21	L19-F21 VanDerWaalsContact C-N 3.32Å; L19-F21 HydrophobicContact CD2-CD2 3.84Å; L19-F21 HydrophobicContact CD2-CE2 4.2Å
20	F	55.4	Low	59.3	Low	205 Å²	205	125.1 Å²	125.1	90%	0.899	72%	0.721	S	S	*	*			trans	-97.6	73.5	146.1	-72	-78	0	0	0	106.1	S22	F20-S22 PolarHBondContact O-N 3.29Å
21	F	57.9	Low	61.7	Low	182 Å²	182	125.8 Å²	125.8	80%	0.798	72%	0.715	S	S	*	*			trans	-59.5	103.8	156.9	-102.6	-87.9	0	0	0	104.9	L19 L23	L19-F21 VanDerWaalsContact C-N 3.32Å; L19-F21 HydrophobicContact CD2-CD2 3.84Å; L19-F21 HydrophobicContact CD2-CE2 4.2Å; F21-L23 PolarHBondContact O-N 3.32Å
22	S	56.7	Low	63.8	Low	93 Å²	93	122.4 Å²	122.4	65%	0.65	68%	0.684	S	S	*	*			trans	-50.5	112.7	170.2	32.5	0	0	0	0	106.7	F20 V24	F20-S22 PolarHBondContact O-N 3.29Å; S22-V24 PolarHBondContact O-N 3.03Å
23	L	63.8	Low	66.2	Low	170 Å²	170	118 Å²	118	89%	0.89	67%	0.672	S	S	*	*			trans	-67.8	75.4	165.2	-147.5	84.9	0	0	0	105.3	F21 P25	F21-L23 PolarHBondContact O-N 3.32Å; L23-P25 WeakPolarHBondContact O-CD 3.35Å; L23-P25 VanDerWaalsContact O-N 3.1Å
24	V	63.6	Low	68.6	Low	109 Å²	109	115.2 Å²	115.2	66%	0.661	65%	0.651	S	S	*	*			trans	-61.8	114.2	171.3	178.4	0	0	0	0	103.9	S22	S22-V24 PolarHBondContact O-N 3.03Å
25	P	64.4	Low	70.8	Confident	100 Å²	100	109 Å²	109	65%	0.649	62%	0.621	S	S	*	*			trans	-53.7	133.3	174.1	-19.7	31.4	0	0	0	106.7	L23 G27	L23-P25 WeakPolarHBondContact O-CD 3.35Å; L23-P25 VanDerWaalsContact O-N 3.1Å; P25-G27 PolarHBondContact O-N 3.01Å
26	P	64.3	Low	72.9	Confident	119 Å²	119	107 Å²	107	77%	0.773	62%	0.616	S	S	*	*			trans	-48.3	126.7	176.4	18.8	-30.1	0	0	0	107.7	R28	P26-R28 PolarHBondContact O-N 3.33Å
27	G	59.3	Low	74.9	Confident	56 Å²	56	107.2 Å²	107.2	58%	0.577	60%	0.604	S	S	*	*			trans	-48.2	116	-179	0	0	0	0	0	108	P25 S29	P25-G27 PolarHBondContact O-N 3.01Å; G27-S29 PolarHBondContact O-N 3.5Å
28	R	66.6	Low	76.9	Confident	225 Å²	225	100.5 Å²	100.5	85%	0.849	57%	0.57	S	S	*	*			trans	-67.9	100.2	-176.7	-81.9	-173.2	156.5	143.1	-3.5	107.7	P26 H136	P26-R28 PolarHBondContact O-N 3.33Å; R28-H136 PolarHBondContact O-CE1 2.75Å; R28-H136 VanDerWaalsContact O-CG 3.26Å; R28-H136 PolarHBondContact O-ND1 3.1Å
29	S	79.1	Confident	78.8	Confident	83 Å²	83	99.1 Å²	99.1	58%	0.58	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-53.7	146.9	166.6	-170.1	0	0	0	0	109	G27 E31 R137	G27-S29 PolarHBondContact O-N 3.5Å; S29-E31 PolarHBondContact O-N 2.78Å; S29-R137 PolarHBondContact OG-O 2.9Å
30	M	92.1	Very high	80.8	Confident	16 Å²	16	92.6 Å²	92.6	8%	0.079	52%	0.52	C	S	.	.	B	Isolated β-bridge	trans	-59.9	127.2	173.6	173.1	177.3	164.8	0	0	108.8	F52 I129	M30-F52 HydrophobicContact CE-CB 3.24Å; M30-F52 HydrophobicContact CE-CD1 4.11Å; M30-F52 HydrophobicContact CE-CD2 3.05Å; M30-F52 HydrophobicContact CE-CE2 3.77Å; M30-F52 HydrophobicContact CE-CG 3.21Å; M30-I129 HydrophobicContact CE-CB 3.58Å; M30-I129 HydrophobicContact CE-CG1 4.34Å; M30-I129 HydrophobicContact CE-CG2 3.4Å; M30-I129 VanDerWaalsContact CE-CG2 3.4Å; M30-I129 HydrophobicContact SD-CB 4.29Å; M30-I129 HydrophobicContact SD-CG2 4.34Å
31	E	94.3	Very high	82.8	Confident	117 Å²	117	85.5 Å²	85.5	55%	0.547	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-76.8	130.1	-178.1	176.9	-179	-153.1	0	0	109.7	S29 F52 N53	S29-E31 PolarHBondContact O-N 2.78Å; E31-F52 WeakPolarHBondContact O-CA 3.39Å; E31-N53 HydrophobicContact CB-CB 4.14Å; E31-N53 HydrophobicContact CG-CB 4.48Å; E31-N53 PolarHBondContact O-N 3.18Å; E31-N53 PolarHBondContact OE2-ND2 3.31Å
32	V	97.8	Very high	84.8	Confident	28 Å²	28	79.6 Å²	79.6	17%	0.17	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	129.3	179.8	-177.6	0	0	0	0	108.3	V34 C50 T51 F52 I129	V32-V34 HydrophobicContact CG1-CG1 4.13Å; V32-C50 VanDerWaalsContact CG1-SG 3.57Å; V32-T51 CarbonylContact C-O 3.59Å; V32-T51 WeakPolarHBondContact CA-O 3.48Å; V32-T51 WeakPolarHBondContact CG1-O 3.43Å; V32-F52 HydrophobicContact CG2-CB 4.29Å; V32-I129 HydrophobicContact CG1-CD1 4.18Å; V32-I129 HydrophobicContact CG2-CD1 3.94Å
33	T	98.4	Very high	86.7	Confident	84 Å²	84	77 Å²	77	52%	0.515	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	115.8	-179.8	-45.7	0	0	0	0	109.3	T51	T33-T51 WeakPolarHBondContact CB-OG1 3.36Å; T33-T51 PolarHBondContact N-O 2.95Å; T33-T51 PolarHBondContact O-N 2.94Å; T33-T51 VanDerWaalsContact O-N 3.15Å
34	V	98.6	Very high	88.3	Confident	39 Å²	39	70.9 Å²	70.9	24%	0.236	43%	0.427	C	S	.	.			trans	-142.6	152.2	176	-65.1	0	0	0	0	109.4	V32 P49 C50 I142	V32-V34 HydrophobicContact CG1-CG1 4.13Å; V34-P49 WeakPolarHBondContact CG1-O 3.48Å; V34-C50 HydrophobicContact CG1-CB 3.82Å; V34-I142 HydrophobicContact CB-CD1 4.22Å; V34-I142 HydrophobicContact CB-CG1 3.78Å; V34-I142 HydrophobicContact CG1-CD1 4.17Å; V34-I142 HydrophobicContact CG1-CG1 4.1Å; V34-I142 HydrophobicContact CG2-CG1 4.33Å
35	P	98.2	Very high	89.9	Confident	40 Å²	40	69.5 Å²	69.5	26%	0.26	42%	0.416	S	S	.	.			trans	-69.4	138.2	166.2	29.8	-34.3	0	0	0	109.7	L38 P49 I142	P35-L38 HydrophobicContact CG-CB 4.38Å; P35-P49 HydrophobicContact CG-CG 3.79Å; P35-I142 HydrophobicContact CG-CG2 4.46Å
36	A	96.9	Very high	91.5	Very high	80 Å²	80	64.8 Å²	64.8	66%	0.661	39%	0.386	S	S	*	.	S	Bend	trans	-64.9	-43.2	176	0	0	0	0	0	111.5	H143	A36-H143 WeakPolarHBondContact O-CB 3.24Å; A36-H143 PolarHBondContact O-N 3.07Å
37	T	97.8	Very high	93.2	Very high	70 Å²	70	63.7 Å²	63.7	43%	0.429	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.8	175.3	-53	0	0	0	0	108.9	H143 Q145	T37-H143 CarbonylContact C-O 3.58Å; T37-H143 VanDerWaalsContact CA-O 3.29Å; T37-H143 WeakPolarHBondContact CA-O 3.41Å; T37-Q145 HydrophobicContact CG2-CG 3.89Å; T37-Q145 VanDerWaalsContact CG2-OE1 3.28Å
38	L	97.8	Very high	95	Very high	36 Å²	36	61 Å²	61	19%	0.188	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	113.5	175.4	-177.6	66.6	0	0	0	108.6	P35 V40 R47 L48 I142 H143 L144 Q145	P35-L38 HydrophobicContact CG-CB 4.38Å; L38-V40 HydrophobicContact CD2-CG2 4.1Å; L38-V40 HydrophobicContact CG-CG2 3.83Å; L38-R47 WeakPolarHBondContact CD2-O 3.34Å; L38-L48 HydrophobicContact CD2-CD2 3.71Å; L38-I142 HydrophobicContact CB-CG2 3.9Å; L38-H143 PolarHBondContact N-O 3.31Å; L38-L144 HydrophobicContact CB-CD1 4.29Å; L38-L144 HydrophobicContact CD2-CD1 3.96Å; L38-L144 HydrophobicContact CG-CD1 4.17Å; L38-L144 WeakPolarHBondContact O-CA 3.46Å; L38-Q145 PolarHBondContact O-N 2.91Å
39	N	97.4	Very high	96.6	Very high	80 Å²	80	52.2 Å²	52.2	43%	0.428	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	127.6	176.1	-61	-22.8	0	0	0	109	Q145 I147	N39-Q145 WeakPolarHBondContact CA-O 3.3Å; N39-Q145 PolarHBondContact OD1-OE1 3.07Å; N39-Q145 VanDerWaalsContact OD1-OE1 3.12Å; N39-I147 HydrophobicContact CB-CD1 4.16Å; N39-I147 HydrophobicContact CB-CG1 4.5Å; N39-I147 HydrophobicContact CB-CG2 4.45Å
40	V	97.4	Very high	97.5	Very high	13 Å²	13	48.2 Å²	48.2	8%	0.079	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	138.1	-179.3	-175.1	0	0	0	0	110.3	L38 S44 A46 V117 L144 Q145 V146 I147	L38-V40 HydrophobicContact CD2-CG2 4.1Å; L38-V40 HydrophobicContact CG-CG2 3.83Å; V40-S44 WeakPolarHBondContact CG1-OG 3.49Å; V40-A46 HydrophobicContact CB-CB 4.37Å; V40-A46 HydrophobicContact CG1-CB 3.98Å; V40-A46 HydrophobicContact CG2-CB 3.86Å; V40-V117 HydrophobicContact CG1-CB 4.39Å; V40-V117 HydrophobicContact CG1-CG1 4.47Å; V40-V117 HydrophobicContact CG1-CG2 4.06Å; V40-L144 HydrophobicContact CB-CD1 4.17Å; V40-L144 HydrophobicContact CG2-CD1 3.53Å; V40-Q145 PolarHBondContact N-O 3.26Å; V40-V146 CarbonylContact O-C 3.52Å; V40-V146 WeakPolarHBondContact O-CA 3.27Å; V40-I147 VanDerWaalsContact O-CG1 3.31Å; V40-I147 WeakPolarHBondContact O-CG1 3.49Å; V40-I147 PolarHBondContact O-N 2.61Å
41	L	97.6	Very high	97.8	Very high	56 Å²	56	50 Å²	50	29%	0.293	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	136.6	178.4	-71.9	165.4	0	0	0	111	G43 S44 I147 E150	L41-G43 PolarHBondContact O-N 3.5Å; L41-S44 PolarHBondContact N-OG 3.35Å; L41-S44 WeakPolarHBondContact O-CB 3.48Å; L41-S44 PolarHBondContact O-N 3.34Å; L41-S44 PolarHBondContact O-OG 3.09Å; L41-I147 WeakPolarHBondContact CA-O 3.28Å; L41-I147 HydrophobicContact CD2-CD1 3.93Å; L41-I147 HydrophobicContact CD2-CG1 3.95Å; L41-I147 HydrophobicContact CG-CD1 4.26Å; L41-I147 HydrophobicContact CG-CG1 4.31Å; L41-E150 HydrophobicContact CD1-CB 4.34Å; L41-E150 HydrophobicContact CD2-CB 4.25Å
42	N	97.9	Very high	98	Very high	57 Å²	57	44.9 Å²	44.9	31%	0.305	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	134.2	171.7	-176	17.1	0	0	0	110.8	S44 V117 V146 I147 M148	N42-S44 VanDerWaalsContact C-N 3.25Å; N42-S44 PolarHBondContact O-N 3.33Å; N42-V117 PolarHBondContact OD1-O 3.43Å; N42-V117 VanDerWaalsContact OD1-O 3.06Å; N42-V146 HydrophobicContact CB-CG1 4.01Å; N42-I147 PolarHBondContact N-O 3.47Å; N42-M148 HydrophobicContact CB-SD 3.9Å
43	G	97.1	Very high	97.9	Very high	39 Å²	39	48 Å²	48	40%	0.402	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	-8.2	-176.3	0	0	0	0	0	115.6	L41 N116 V117	L41-G43 PolarHBondContact O-N 3.5Å; G43-N116 WeakPolarHBondContact CA-OD1 3.17Å; G43-V117 PolarHBondContact N-O 2.95Å
44	S	97.6	Very high	97.7	Very high	42 Å²	42	44.5 Å²	44.5	29%	0.294	27%	0.266	S	S	.	.	S	Bend	trans	-88.1	172.2	176.1	74	0	0	0	0	112.2	V40 L41 N42 N116 V117	V40-S44 WeakPolarHBondContact CG1-OG 3.49Å; L41-S44 PolarHBondContact N-OG 3.35Å; L41-S44 WeakPolarHBondContact O-CB 3.48Å; L41-S44 PolarHBondContact O-N 3.34Å; L41-S44 PolarHBondContact O-OG 3.09Å; N42-S44 VanDerWaalsContact C-N 3.25Å; N42-S44 PolarHBondContact O-N 3.33Å; S44-N116 PolarHBondContact O-N 3.19Å; S44-V117 WeakPolarHBondContact O-CB 3.42Å; S44-V117 VanDerWaalsContact O-CG2 3.23Å; S44-V117 WeakPolarHBondContact O-CG2 3.48Å; S44-V117 PolarHBondContact O-N 3.32Å
45	D	98.3	Very high	97.4	Very high	79 Å²	79	48.6 Å²	48.6	42%	0.422	29%	0.294	S	S	.	.			trans	-92.4	127.7	176.9	-68.1	-19.2	0	0	0	110.6	M113 R115 N116	D45-M113 HydrophobicContact CB-SD 3.93Å; D45-R115 VanDerWaalsContact CG-CD 3.4Å; D45-R115 VanDerWaalsContact OD1-CA 3.23Å; D45-R115 WeakPolarHBondContact OD1-CA 3.42Å; D45-R115 WeakPolarHBondContact OD1-CD 3.44Å; D45-R115 VanDerWaalsContact OD2-CD 3.26Å; D45-R115 WeakPolarHBondContact OD2-CD 3.16Å; D45-R115 IonicContact OD2-CZ 2.69Å; D45-R115 IonicContact OD2-NE 3.25Å; D45-R115 IonicContact OD2-NH1 2.68Å; D45-R115 PolarHBondContact OD2-NH1 3.49Å; D45-N116 PolarHBondContact OD1-N 3.43Å
46	A	98.1	Very high	97.2	Very high	2 Å²	2	52.1 Å²	52.1	2%	0.017	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	115.5	174.3	0	0	0	0	0	110.8	V40 L48 M113 L114 V117 L144	V40-A46 HydrophobicContact CB-CB 4.37Å; V40-A46 HydrophobicContact CG1-CB 3.98Å; V40-A46 HydrophobicContact CG2-CB 3.86Å; A46-L48 HydrophobicContact CB-CD2 4.4Å; A46-M113 VanDerWaalsContact C-SD 3.58Å; A46-M113 CarbonylContact O-C 3.55Å; A46-M113 WeakPolarHBondContact O-CA 3.48Å; A46-L114 HydrophobicContact CB-CB 4.34Å; A46-L114 PolarHBondContact N-O 2.87Å; A46-L114 PolarHBondContact O-N 2.64Å; A46-V117 HydrophobicContact CB-CG2 3.51Å; A46-L144 HydrophobicContact CB-CD1 4.38Å
47	R	98.5	Very high	97.2	Very high	95 Å²	95	53.9 Å²	53.9	36%	0.358	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	119.3	158.5	-167.5	173.4	-169.5	-99.1	3.5	108	L38 P49 S102 D109 S111 M113	L38-R47 WeakPolarHBondContact CD2-O 3.34Å; R47-P49 WeakPolarHBondContact O-CD 3.29Å; R47-S102 PolarHBondContact NE-OG 3.36Å; R47-S102 PolarHBondContact NH2-O 2.96Å; R47-S102 VanDerWaalsContact NH2-O 3.15Å; R47-D109 IonicContact CZ-OD2 3.72Å; R47-D109 IonicContact NH1-OD2 3.81Å; R47-D109 IonicContact NH2-OD1 3.51Å; R47-D109 IonicContact NH2-OD2 2.75Å; R47-D109 PolarHBondContact NH2-OD2 3.18Å; R47-S111 VanDerWaalsContact CZ-CB 3.45Å; R47-S111 PolarHBondContact NH1-OG 2.85Å; R47-S111 PolarHBondContact NH2-OG 3.49Å; R47-M113 HydrophobicContact CB-CE 3.94Å; R47-M113 HydrophobicContact CB-SD 4.16Å; R47-M113 HydrophobicContact CG-CE 4.3Å
48	L	98.7	Very high	97.2	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	96.2	171.2	-55.7	-177	0	0	0	108.1	L38 A46 C50 W67 S111 V112 Y125 I142 L144	L38-L48 HydrophobicContact CD2-CD2 3.71Å; A46-L48 HydrophobicContact CB-CD2 4.4Å; L48-C50 PolarHBondContact O-N 3.27Å; L48-W67 HydrophobicContact CB-CH2 3.86Å; L48-W67 HydrophobicContact CB-CZ3 4.25Å; L48-W67 HydrophobicContact CD1-CZ3 4.25Å; L48-S111 VanDerWaalsContact O-CA 3.31Å; L48-S111 WeakPolarHBondContact O-CA 3.36Å; L48-S111 WeakPolarHBondContact O-CB 3.32Å; L48-V112 HydrophobicContact CB-CG2 3.79Å; L48-V112 HydrophobicContact CD1-CG2 3.73Å; L48-V112 HydrophobicContact CG-CG2 4.08Å; L48-V112 PolarHBondContact N-O 2.95Å; L48-V112 PolarHBondContact O-N 3.41Å; L48-Y125 HydrophobicContact CD1-CD1 3.28Å; L48-Y125 HydrophobicContact CD1-CD2 4.36Å; L48-Y125 HydrophobicContact CD1-CE1 3.74Å; L48-Y125 HydrophobicContact CD1-CG 3.63Å; L48-I142 HydrophobicContact CB-CD1 4.18Å; L48-L144 HydrophobicContact CD2-CD1 4.06Å
49	P	98.6	Very high	97.1	Very high	39 Å²	39	53 Å²	53	25%	0.253	30%	0.3	S	S	.	.			trans	-75.4	129.2	-174.3	32.8	-35.5	0	0	0	110.1	V34 P35 R47 S111 I142	V34-P49 WeakPolarHBondContact CG1-O 3.48Å; P35-P49 HydrophobicContact CG-CG 3.79Å; R47-P49 WeakPolarHBondContact O-CD 3.29Å; P49-S111 WeakPolarHBondContact CA-OG 3.46Å; P49-I142 WeakPolarHBondContact O-CD1 3.4Å
50	C	98.7	Very high	97	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.297	C	S	.	.			trans	-142.8	112	169.6	178.5	0	0	0	0	108.9	V32 V34 L48 W67 V110 S111 C127	V32-C50 VanDerWaalsContact CG1-SG 3.57Å; V34-C50 HydrophobicContact CG1-CB 3.82Å; L48-C50 PolarHBondContact O-N 3.27Å; C50-W67 HydrophobicContact CB-CH2 3.84Å; C50-W67 HydrophobicContact CB-CZ2 3.55Å; C50-V110 HydrophobicContact CB-CG2 3.92Å; C50-V110 WeakPolarHBondContact O-CG2 3.32Å; C50-V110 PolarHBondContact O-N 3.06Å; C50-V110 VanDerWaalsContact SG-CG2 3.57Å; C50-S111 PolarHBondContact N-OG 2.79Å; C50-S111 VanDerWaalsContact N-OG 3.1Å; C50-C127 HydrophobicContact CB-CB 3.92Å; C50-C127 WeakPolarHBondContact CB-SG 3.49Å; C50-C127 WeakPolarHBondContact SG-CB 3.17Å; C50-C127 CovalentContact SG-SG 2.06Å; C50-C127 PolarHBondContact SG-SG 3.47Å
51	T	98.6	Very high	96.9	Very high	52 Å²	52	61 Å²	61	32%	0.319	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	150	175.2	55.7	0	0	0	0	109.6	V32 T33 Y108 D109	V32-T51 CarbonylContact C-O 3.59Å; V32-T51 WeakPolarHBondContact CA-O 3.48Å; V32-T51 WeakPolarHBondContact CG1-O 3.43Å; T33-T51 WeakPolarHBondContact CB-OG1 3.36Å; T33-T51 PolarHBondContact N-O 2.95Å; T33-T51 PolarHBondContact O-N 2.94Å; T33-T51 VanDerWaalsContact O-N 3.15Å; T51-Y108 CarbonylContact C-O 3.44Å; T51-Y108 WeakPolarHBondContact CA-O 3.42Å; T51-D109 HydrophobicContact CG2-CB 4.14Å
52	F	97.6	Very high	96.8	Very high	10 Å²	10	63.6 Å²	63.6	4%	0.044	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	159.9	178.8	69.6	-94	0	0	0	112	M30 E31 V32 V58 F63 Y108 V110 I129 N131	M30-F52 HydrophobicContact CE-CB 3.24Å; M30-F52 HydrophobicContact CE-CD1 4.11Å; M30-F52 HydrophobicContact CE-CD2 3.05Å; M30-F52 HydrophobicContact CE-CE2 3.77Å; M30-F52 HydrophobicContact CE-CG 3.21Å; E31-F52 WeakPolarHBondContact O-CA 3.39Å; V32-F52 HydrophobicContact CG2-CB 4.29Å; F52-V58 HydrophobicContact CE2-CG2 4.33Å; F52-V58 HydrophobicContact CZ-CG2 3.72Å; F52-F63 AromaticContact CE1-CE2 3.87Å; F52-F63 HydrophobicContact CE1-CE2 3.87Å; F52-F63 HydrophobicContact CE1-CZ 4.04Å; F52-F63 AromaticContact CZ-CE2 3.65Å; F52-F63 HydrophobicContact CZ-CE2 3.65Å; F52-F63 HydrophobicContact CZ-CZ 4.25Å; F52-Y108 WeakPolarHBondContact CD1-O 3.31Å; F52-Y108 HydrophobicContact CD2-CD1 4.11Å; F52-Y108 HydrophobicContact CD2-CG 4.45Å; F52-Y108 AromaticContact CE2-CD1 3.47Å; F52-Y108 HydrophobicContact CE2-CD1 3.47Å; F52-Y108 VanDerWaalsContact CE2-CD1 3.47Å; F52-Y108 HydrophobicContact CE2-CE1 4.34Å; F52-Y108 HydrophobicContact CE2-CG 4.19Å; F52-Y108 AromaticContact CZ-CD1 3.71Å; F52-Y108 HydrophobicContact CZ-CD1 3.71Å; F52-Y108 HydrophobicContact CZ-CG 4.39Å; F52-Y108 PolarHBondContact N-O 2.96Å; F52-Y108 WeakPolarHBondContact O-CB 3.44Å; F52-V110 HydrophobicContact CD1-CG1 4.07Å; F52-V110 HydrophobicContact CD1-CG2 4.4Å; F52-V110 HydrophobicContact CE1-CG1 3.79Å; F52-I129 HydrophobicContact CD1-CG1 4.31Å; F52-I129 HydrophobicContact CD1-CG2 4Å; F52-I129 HydrophobicContact CE1-CG2 4.02Å; F52-I129 HydrophobicContact CG-CG2 4.27Å; F52-I129 HydrophobicContact CZ-CG2 4.3Å; F52-N131 HydrophobicContact CE2-CB 4.34Å
53	N	95.6	Very high	96.8	Very high	93 Å²	93	61 Å²	61	50%	0.497	33%	0.327	S	S	.	.			trans	-114.1	130.7	176.5	-169.1	15.8	0	0	0	109.6	E31	E31-N53 HydrophobicContact CB-CB 4.14Å; E31-N53 HydrophobicContact CG-CB 4.48Å; E31-N53 PolarHBondContact O-N 3.18Å; E31-N53 PolarHBondContact OE2-ND2 3.31Å
54	S	94.6	Very high	96.9	Very high	12 Å²	12	61.1 Å²	61.1	8%	0.084	32%	0.322	C	S	.	.			trans	-148.8	143.7	179.6	177.6	0	0	0	0	110.3	Y56 N131 D134	S54-Y56 PolarHBondContact OG-N 2.9Å; S54-Y56 VanDerWaalsContact OG-N 3.11Å; S54-Y56 PolarHBondContact OG-O 3.48Å; S54-N131 PolarHBondContact OG-ND2 2.53Å; S54-D134 WeakPolarHBondContact CB-OD2 3.3Å; S54-D134 PolarHBondContact OG-OD2 3.34Å
55	C	93.1	Very high	96.9	Very high	125 Å²	125	59.1 Å²	59.1	85%	0.845	31%	0.308	S	S	*	.	S	Bend	trans	-78.8	-9.1	173	-63.1	0	0	0	0	112.6
56	Y	94.4	Very high	96.9	Very high	114 Å²	114	57.1 Å²	57.1	45%	0.447	30%	0.297	S	S	.	.	S	Bend	trans	-114.3	142.3	-176	-54.7	-76.4	0	0	0	111.4	S54 N131 P133 D134	S54-Y56 PolarHBondContact OG-N 2.9Å; S54-Y56 VanDerWaalsContact OG-N 3.11Å; S54-Y56 PolarHBondContact OG-O 3.48Å; Y56-N131 PolarHBondContact O-ND2 3.39Å; Y56-N131 VanDerWaalsContact O-ND2 3.09Å; Y56-P133 HydrophobicContact CD1-CG 3.59Å; Y56-P133 HydrophobicContact CD2-CG 3.76Å; Y56-P133 HydrophobicContact CE1-CG 3.6Å; Y56-P133 HydrophobicContact CE2-CG 3.78Å; Y56-P133 HydrophobicContact CG-CG 3.67Å; Y56-D134 WeakPolarHBondContact CD2-OD1 3.38Å; Y56-D134 VanDerWaalsContact CE2-OD1 3.27Å; Y56-D134 WeakPolarHBondContact CE2-OD1 3.36Å
57	T	96.5	Very high	97	Very high	117 Å²	117	57 Å²	57	72%	0.718	30%	0.296	S	S	*	.			trans	-66.5	144.7	173.3	56.4	0	0	0	0	111	N59	T57-N59 PolarHBondContact O-N 3.44Å
58	V	96.9	Very high	97	Very high	20 Å²	20	52.9 Å²	52.9	12%	0.121	28%	0.282	C	S	.	.			trans	-70.2	118.2	179.6	-179.7	0	0	0	0	112	F52 F63 P105 Y108	F52-V58 HydrophobicContact CE2-CG2 4.33Å; F52-V58 HydrophobicContact CZ-CG2 3.72Å; V58-F63 HydrophobicContact CG1-CB 3.61Å; V58-F63 HydrophobicContact CG1-CD1 4.01Å; V58-F63 HydrophobicContact CG1-CD2 3.64Å; V58-F63 HydrophobicContact CG1-CE2 4.28Å; V58-F63 HydrophobicContact CG1-CG 3.47Å; V58-F63 VanDerWaalsContact CG1-CG 3.47Å; V58-F63 HydrophobicContact CG2-CD2 4.38Å; V58-P105 HydrophobicContact CG1-CB 4.21Å; V58-P105 WeakPolarHBondContact CG2-O 3.38Å; V58-Y108 HydrophobicContact CG2-CD1 4.11Å; V58-Y108 HydrophobicContact CG2-CE1 4.19Å
59	N	96.6	Very high	96.9	Very high	68 Å²	68	53.6 Å²	53.6	36%	0.364	28%	0.284	S	S	.	.			trans	-95.4	109.5	168.7	-179.5	-14	0	0	0	110.4	T57 K61 Q62 F63	T57-N59 PolarHBondContact O-N 3.44Å; N59-K61 PolarHBondContact O-N 3.36Å; N59-K61 PolarHBondContact OD1-N 2.87Å; N59-K61 VanDerWaalsContact OD1-N 3.1Å; N59-Q62 PolarHBondContact ND2-OE1 3.19Å; N59-Q62 PolarHBondContact O-N 3.43Å; N59-F63 VanDerWaalsContact O-CB 3.27Å; N59-F63 WeakPolarHBondContact O-CB 3.31Å; N59-F63 PolarHBondContact O-N 2.89Å
60	H	94.6	Very high	96.9	Very high	82 Å²	82	52.5 Å²	52.5	38%	0.38	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-22.7	-174.6	-72.4	-157.7	0	0	0	114.8	F83 M85	H60-F83 HydrophobicContact CB-CE1 4.35Å; H60-F83 HydrophobicContact CB-CZ 4.21Å; H60-F83 AromaticContact CG-CZ 3.95Å; H60-F83 AromaticContact ND1-CZ 3.91Å; H60-M85 WeakPolarHBondContact O-CA 3.23Å
61	K	95.5	Very high	96.7	Very high	179 Å²	179	54.6 Å²	54.6	78%	0.778	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-26.5	177.4	-67.3	-177.9	178.5	179.7	0	113.2	N59	N59-K61 PolarHBondContact O-N 3.36Å; N59-K61 PolarHBondContact OD1-N 2.87Å; N59-K61 VanDerWaalsContact OD1-N 3.1Å
62	Q	96.3	Very high	96.4	Very high	110 Å²	110	54.9 Å²	54.9	51%	0.514	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-27.8	-174.2	-66.8	177.5	-24.6	0	0	112.3	N59 P132	N59-Q62 PolarHBondContact ND2-OE1 3.19Å; N59-Q62 PolarHBondContact O-N 3.43Å; Q62-P132 HydrophobicContact CB-CB 4.19Å; Q62-P132 HydrophobicContact CB-CG 4.09Å; Q62-P132 WeakPolarHBondContact O-CD 3.38Å
63	F	97.8	Very high	96	Very high	3 Å²	3	59.7 Å²	59.7	1%	0.013	33%	0.327	C	S	.	.			trans	-62.6	136	176.3	-179.6	-102.2	0	0	0	110.9	F52 V58 N59 L65 F83 P105 V110 I129 M130 N131	F52-F63 AromaticContact CE1-CE2 3.87Å; F52-F63 HydrophobicContact CE1-CE2 3.87Å; F52-F63 HydrophobicContact CE1-CZ 4.04Å; F52-F63 AromaticContact CZ-CE2 3.65Å; F52-F63 HydrophobicContact CZ-CE2 3.65Å; F52-F63 HydrophobicContact CZ-CZ 4.25Å; V58-F63 HydrophobicContact CG1-CB 3.61Å; V58-F63 HydrophobicContact CG1-CD1 4.01Å; V58-F63 HydrophobicContact CG1-CD2 3.64Å; V58-F63 HydrophobicContact CG1-CE2 4.28Å; V58-F63 HydrophobicContact CG1-CG 3.47Å; V58-F63 VanDerWaalsContact CG1-CG 3.47Å; V58-F63 HydrophobicContact CG2-CD2 4.38Å; N59-F63 VanDerWaalsContact O-CB 3.27Å; N59-F63 WeakPolarHBondContact O-CB 3.31Å; N59-F63 PolarHBondContact O-N 2.89Å; F63-L65 HydrophobicContact CE1-CB 4.04Å; F63-L65 HydrophobicContact CZ-CB 4.28Å; F63-F83 AromaticContact CD1-CD1 3.52Å; F63-F83 HydrophobicContact CD1-CD1 3.52Å; F63-F83 AromaticContact CD1-CE1 3.8Å; F63-F83 HydrophobicContact CD1-CE1 3.8Å; F63-F83 HydrophobicContact CD1-CG 4.13Å; F63-F83 HydrophobicContact CE1-CB 4.38Å; F63-F83 HydrophobicContact CE1-CD1 4.06Å; F63-F83 HydrophobicContact CE1-CG 4.21Å; F63-P105 HydrophobicContact CD1-CB 4.43Å; F63-P105 HydrophobicContact CE1-CB 3.93Å; F63-P105 HydrophobicContact CE1-CG 4.24Å; F63-P105 HydrophobicContact CZ-CB 4.21Å; F63-V110 HydrophobicContact CE1-CG1 4.47Å; F63-V110 HydrophobicContact CZ-CG1 3.82Å; F63-I129 HydrophobicContact CD2-CG2 4.44Å; F63-I129 HydrophobicContact CE2-CG2 3.41Å; F63-I129 VanDerWaalsContact CE2-CG2 3.41Å; F63-I129 HydrophobicContact CZ-CG2 3.82Å; F63-M130 WeakPolarHBondContact CA-O 3.44Å; F63-M130 WeakPolarHBondContact CD2-O 3.47Å; F63-N131 HydrophobicContact CD2-CB 4.05Å; F63-N131 HydrophobicContact CE2-CB 4.4Å
64	S	97.9	Very high	95.8	Very high	41 Å²	41	62.9 Å²	62.9	29%	0.287	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	143.6	169.7	58.4	0	0	0	0	111.5	F83 M130	S64-F83 WeakPolarHBondContact CA-O 3.37Å; S64-M130 PolarHBondContact N-O 2.91Å; S64-M130 PolarHBondContact O-N 2.8Å; S64-M130 WeakPolarHBondContact OG-CB 3.33Å
65	L	98.6	Very high	95.7	Very high	0 Å²	0	65 Å²	65	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.8	175.7	168.8	69.6	0	0	0	107.1	F63 L81 Q82 F83 F101 V110 C127 Y128 I129	F63-L65 HydrophobicContact CE1-CB 4.04Å; F63-L65 HydrophobicContact CZ-CB 4.28Å; L65-L81 HydrophobicContact CD2-CD2 4.23Å; L65-Q82 CarbonylContact O-C 3.6Å; L65-Q82 VanDerWaalsContact O-CA 3.27Å; L65-Q82 WeakPolarHBondContact O-CA 3.23Å; L65-F83 HydrophobicContact CB-CB 3.72Å; L65-F83 HydrophobicContact CD2-CB 4.39Å; L65-F83 PolarHBondContact N-O 3.45Å; L65-F83 PolarHBondContact O-N 2.92Å; L65-F101 HydrophobicContact CD2-CE2 3.86Å; L65-V110 HydrophobicContact CD1-CB 3.77Å; L65-V110 HydrophobicContact CD1-CG1 4.17Å; L65-V110 HydrophobicContact CD1-CG2 3.88Å; L65-V110 HydrophobicContact CD2-CB 3.71Å; L65-V110 HydrophobicContact CD2-CG1 4.02Å; L65-V110 HydrophobicContact CG-CB 4.34Å; L65-C127 HydrophobicContact CD1-CB 4.45Å; L65-Y128 CarbonylContact C-O 3.6Å; L65-Y128 VanDerWaalsContact CA-O 3.31Å; L65-Y128 WeakPolarHBondContact CA-O 3.43Å; L65-I129 HydrophobicContact CD1-CG1 4.09Å
66	N	98.6	Very high	95.9	Very high	37 Å²	37	63.9 Å²	63.9	20%	0.198	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131	165.3	-66.8	-24.1	0	0	0	108.9	M79 Q82 Y128	N66-M79 HydrophobicContact CB-CE 3.96Å; N66-M79 HydrophobicContact CB-SD 4.46Å; N66-M79 VanDerWaalsContact CG-CE 3.46Å; N66-M79 WeakPolarHBondContact ND2-CE 3.48Å; N66-Q82 WeakPolarHBondContact OD1-CG 3.39Å; N66-Q82 PolarHBondContact OD1-NE2 3.39Å; N66-Y128 PolarHBondContact N-O 3.49Å; N66-Y128 PolarHBondContact O-N 3.43Å
67	W	98.6	Very high	96	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	128	165.6	-86.6	95.9	0	0	0	109.4	L48 C50 M79 F80 L81 V110 V112 N126 C127 I142	L48-W67 HydrophobicContact CB-CH2 3.86Å; L48-W67 HydrophobicContact CB-CZ3 4.25Å; L48-W67 HydrophobicContact CD1-CZ3 4.25Å; C50-W67 HydrophobicContact CB-CH2 3.84Å; C50-W67 HydrophobicContact CB-CZ2 3.55Å; W67-M79 WeakPolarHBondContact O-CA 3.26Å; W67-F80 HydrophobicContact CB-CD1 4.44Å; W67-F80 HydrophobicContact CB-CD2 4.42Å; W67-F80 HydrophobicContact CB-CE1 3.87Å; W67-F80 HydrophobicContact CB-CE2 3.85Å; W67-F80 HydrophobicContact CB-CZ 3.56Å; W67-F80 HydrophobicContact CD2-CZ 4.2Å; W67-F80 HydrophobicContact CE3-CE1 4.46Å; W67-F80 AromaticContact CE3-CZ 3.95Å; W67-F80 HydrophobicContact CE3-CZ 3.95Å; W67-F80 HydrophobicContact CG-CE2 4.43Å; W67-F80 HydrophobicContact CG-CZ 4.11Å; W67-F80 PolarHBondContact O-N 3.08Å; W67-L81 HydrophobicContact CB-CB 4.13Å; W67-L81 PolarHBondContact N-O 3.48Å; W67-V110 PolarHBondContact NE1-O 2.94Å; W67-V112 HydrophobicContact CD2-CG1 4.22Å; W67-V112 HydrophobicContact CD2-CG2 4Å; W67-V112 HydrophobicContact CE3-CG2 4.25Å; W67-V112 HydrophobicContact CG-CG1 4.06Å; W67-V112 HydrophobicContact CH2-CG2 4.21Å; W67-V112 HydrophobicContact CZ2-CG1 4.46Å; W67-V112 HydrophobicContact CZ2-CG2 3.95Å; W67-V112 HydrophobicContact CZ3-CG2 4.36Å; W67-N126 CarbonylContact C-O 3.57Å; W67-N126 VanDerWaalsContact CA-O 3.28Å; W67-N126 WeakPolarHBondContact CA-O 3.49Å; W67-C127 HydrophobicContact CD2-CB 3.96Å; W67-C127 HydrophobicContact CE3-CB 4.14Å; W67-C127 HydrophobicContact CH2-CB 3.95Å; W67-C127 HydrophobicContact CZ2-CB 3.75Å; W67-C127 HydrophobicContact CZ3-CB 4.11Å; W67-I142 HydrophobicContact CH2-CD1 3.93Å; W67-I142 HydrophobicContact CZ3-CD1 4.29Å
68	T	98.4	Very high	96	Very high	8 Å²	8	61.6 Å²	61.6	5%	0.049	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	152.2	177.1	72.8	0	0	0	0	111	E77 E78 M79 Y125 N126 Y128	T68-E77 WeakPolarHBondContact CB-OE2 3.32Å; T68-E77 PolarHBondContact OG1-OE2 3.14Å; T68-E78 CarbonylContact C-O 3.53Å; T68-E78 VanDerWaalsContact CA-O 3.24Å; T68-E78 WeakPolarHBondContact CA-O 3.41Å; T68-M79 HydrophobicContact CG2-CB 4.25Å; T68-Y125 WeakPolarHBondContact O-CA 3.29Å; T68-N126 PolarHBondContact N-O 3.26Å; T68-N126 PolarHBondContact O-N 2.79Å; T68-N126 WeakPolarHBondContact OG1-CB 3.45Å; T68-N126 PolarHBondContact OG1-ND2 3.26Å; T68-Y128 HydrophobicContact CG2-CD2 4.35Å; T68-Y128 HydrophobicContact CG2-CE2 4.17Å
69	Y	98.3	Very high	96.1	Very high	15 Å²	15	63.4 Å²	63.4	6%	0.059	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	144.8	174	169.2	-97.4	0	0	0	109.6	G71 E77 E78 R94 F95 E122 I124 Y125	Y69-G71 VanDerWaalsContact OH-CA 3.3Å; Y69-G71 WeakPolarHBondContact OH-CA 3.36Å; Y69-E77 WeakPolarHBondContact O-CA 3.27Å; Y69-E78 PolarHBondContact N-O 3.12Å; Y69-E78 PolarHBondContact O-N 3.35Å; Y69-R94 VanDerWaalsContact CE2-NH1 3.28Å; Y69-R94 VanDerWaalsContact CZ-NH1 3.28Å; Y69-R94 PolarHBondContact OH-NH2 2.98Å; Y69-F95 AromaticContact CD2-CZ 3.93Å; Y69-F95 HydrophobicContact CD2-CZ 3.93Å; Y69-F95 HydrophobicContact CG-CE2 4.22Å; Y69-F95 AromaticContact CG-CZ 3.86Å; Y69-F95 HydrophobicContact CG-CZ 3.86Å; Y69-E122 PolarHBondContact OH-O 2.79Å; Y69-I124 CarbonylContact C-O 3.6Å; Y69-I124 WeakPolarHBondContact CA-O 3.34Å; Y69-Y125 HydrophobicContact CD2-CD1 4.33Å; Y69-Y125 HydrophobicContact CD2-CD2 4.32Å; Y69-Y125 AromaticContact CD2-CE1 3.89Å; Y69-Y125 HydrophobicContact CD2-CE1 3.89Å; Y69-Y125 AromaticContact CD2-CE2 3.83Å; Y69-Y125 HydrophobicContact CD2-CE2 3.83Å; Y69-Y125 AromaticContact CD2-CZ 3.61Å; Y69-Y125 HydrophobicContact CE2-CE2 4.02Å; Y69-Y125 AromaticContact CE2-CZ 4Å
70	Q	97.1	Very high	96.2	Very high	17 Å²	17	60.2 Å²	60.2	8%	0.079	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	118.5	177.3	-167.8	-161.3	31.6	0	0	108.7	C72 N73 C75 E77 I124	Q70-C72 VanDerWaalsContact C-N 3.27Å; Q70-C72 WeakPolarHBondContact CG-O 3.41Å; Q70-C72 PolarHBondContact NE2-O 3.03Å; Q70-C72 PolarHBondContact O-N 2.94Å; Q70-C72 PolarHBondContact OE1-O 2.88Å; Q70-N73 PolarHBondContact NE2-O 3.47Å; Q70-C75 HydrophobicContact CG-CB 3.89Å; Q70-C75 WeakPolarHBondContact CG-O 3.46Å; Q70-C75 PolarHBondContact NE2-O 3.48Å; Q70-E77 HydrophobicContact CB-CG 4.28Å; Q70-E77 HydrophobicContact CG-CG 4.4Å; Q70-I124 HydrophobicContact CB-CB 4.18Å; Q70-I124 PolarHBondContact N-O 2.89Å; Q70-I124 PolarHBondContact O-N 2.91Å
71	G	94.9	Very high	96.3	Very high	43 Å²	43	56.3 Å²	56.3	44%	0.443	31%	0.31	S	S	.	.	S	Bend	trans	-72.2	-16.2	-176.1	0	0	0	0	0	115.2	Y69	Y69-G71 VanDerWaalsContact OH-CA 3.3Å; Y69-G71 WeakPolarHBondContact OH-CA 3.36Å
72	C	91.7	Very high	96.5	Very high	58 Å²	58	50 Å²	50	39%	0.392	28%	0.283	S	S	.	.	S	Bend	trans	-154.4	158	177	77.6	0	0	0	0	110.3	Q70 N74 C75	Q70-C72 VanDerWaalsContact C-N 3.27Å; Q70-C72 WeakPolarHBondContact CG-O 3.41Å; Q70-C72 PolarHBondContact NE2-O 3.03Å; Q70-C72 PolarHBondContact O-N 2.94Å; Q70-C72 PolarHBondContact OE1-O 2.88Å; C72-N74 PolarHBondContact O-N 3.5Å; C72-C75 HydrophobicContact CB-CB 4.16Å; C72-C75 WeakPolarHBondContact CB-SG 3.3Å; C72-C75 PolarHBondContact N-SG 3.37Å; C72-C75 WeakPolarHBondContact O-CB 3.34Å; C72-C75 PolarHBondContact O-N 3.36Å; C72-C75 WeakPolarHBondContact SG-CB 3.28Å; C72-C75 PolarHBondContact SG-N 3.28Å; C72-C75 CovalentContact SG-SG 2.05Å; C72-C75 PolarHBondContact SG-SG 3.07Å
73	N	89.4	Confident	96.5	Very high	111 Å²	111	45.3 Å²	45.3	59%	0.594	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-29.6	-174.8	-81.5	-46.2	0	0	0	115.6	Q70 I124 K141	Q70-N73 PolarHBondContact NE2-O 3.47Å; N73-I124 HydrophobicContact CB-CD1 4.42Å; N73-I124 WeakPolarHBondContact OD1-CD1 3.42Å; N73-K141 PolarHBondContact OD1-NZ 3Å; N73-K141 VanDerWaalsContact OD1-NZ 3.11Å
74	N	91.2	Very high	96.4	Very high	161 Å²	161	53.3 Å²	53.3	86%	0.861	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	10	-178.7	-65.9	-14.8	0	0	0	113.3	C72	C72-N74 PolarHBondContact O-N 3.5Å
75	C	94.3	Very high	96.2	Very high	55 Å²	55	57.5 Å²	57.5	37%	0.372	31%	0.308	S	S	.	.	S	Bend	trans	-74.8	164	177.3	-73.6	0	0	0	0	110.5	Q70 C72	Q70-C75 HydrophobicContact CG-CB 3.89Å; Q70-C75 WeakPolarHBondContact CG-O 3.46Å; Q70-C75 PolarHBondContact NE2-O 3.48Å; C72-C75 HydrophobicContact CB-CB 4.16Å; C72-C75 WeakPolarHBondContact CB-SG 3.3Å; C72-C75 PolarHBondContact N-SG 3.37Å; C72-C75 WeakPolarHBondContact O-CB 3.34Å; C72-C75 PolarHBondContact O-N 3.36Å; C72-C75 WeakPolarHBondContact SG-CB 3.28Å; C72-C75 PolarHBondContact SG-N 3.28Å; C72-C75 CovalentContact SG-SG 2.05Å; C72-C75 PolarHBondContact SG-SG 3.07Å
76	S	95.8	Very high	96.1	Very high	103 Å²	103	64.4 Å²	64.4	72%	0.72	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-68.6	146.3	171.7	-60.4	0	0	0	0	111
77	E	97.3	Very high	96	Very high	87 Å²	87	65.5 Å²	65.5	41%	0.407	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-83.9	133.5	173	-71.3	-173	-153.8	0	0	111	T68 Y69 Q70 Y128	T68-E77 WeakPolarHBondContact CB-OE2 3.32Å; T68-E77 PolarHBondContact OG1-OE2 3.14Å; Y69-E77 WeakPolarHBondContact O-CA 3.27Å; Q70-E77 HydrophobicContact CB-CG 4.28Å; Q70-E77 HydrophobicContact CG-CG 4.4Å; E77-Y128 PolarHBondContact OE1-OH 2.76Å; E77-Y128 WeakPolarHBondContact OE2-CE2 3.41Å; E77-Y128 PolarHBondContact OE2-OH 2.97Å
78	E	97.4	Very high	96	Very high	95 Å²	95	68.4 Å²	68.4	44%	0.444	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	119.3	176.3	-64.4	-179.6	-108	0	0	109.9	T68 Y69 F80 L92	T68-E78 CarbonylContact C-O 3.53Å; T68-E78 VanDerWaalsContact CA-O 3.24Å; T68-E78 WeakPolarHBondContact CA-O 3.41Å; Y69-E78 PolarHBondContact N-O 3.12Å; Y69-E78 PolarHBondContact O-N 3.35Å; E78-F80 PolarHBondContact O-N 3.42Å; E78-L92 HydrophobicContact CB-CD1 4.29Å; E78-L92 HydrophobicContact CB-CD2 3.61Å; E78-L92 HydrophobicContact CG-CD2 4.5Å
79	M	97.8	Very high	95.8	Very high	58 Å²	58	70.5 Å²	70.5	29%	0.286	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	125.8	177.7	-173.7	-176.7	-57.6	0	0	110.2	N66 W67 T68 Q82 L90	N66-M79 HydrophobicContact CB-CE 3.96Å; N66-M79 HydrophobicContact CB-SD 4.46Å; N66-M79 VanDerWaalsContact CG-CE 3.46Å; N66-M79 WeakPolarHBondContact ND2-CE 3.48Å; W67-M79 WeakPolarHBondContact O-CA 3.26Å; T68-M79 HydrophobicContact CG2-CB 4.25Å; M79-Q82 HydrophobicContact SD-CB 3.98Å; M79-L90 HydrophobicContact CB-CD2 4.18Å; M79-L90 HydrophobicContact CG-CD1 4.46Å; M79-L90 HydrophobicContact CG-CD2 4.11Å; M79-L90 WeakPolarHBondContact O-CD2 3.47Å; M79-L90 HydrophobicContact SD-CD1 4.47Å; M79-L90 HydrophobicContact SD-CD2 4.23Å
80	F	97.9	Very high	95.7	Very high	2 Å²	2	73.6 Å²	73.6	1%	0.009	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	-19.7	179.1	66.9	-96.5	0	0	0	113.2	W67 E78 N89 L90 L92 F95 V99 V112 Y125	W67-F80 HydrophobicContact CB-CD1 4.44Å; W67-F80 HydrophobicContact CB-CD2 4.42Å; W67-F80 HydrophobicContact CB-CE1 3.87Å; W67-F80 HydrophobicContact CB-CE2 3.85Å; W67-F80 HydrophobicContact CB-CZ 3.56Å; W67-F80 HydrophobicContact CD2-CZ 4.2Å; W67-F80 HydrophobicContact CE3-CE1 4.46Å; W67-F80 AromaticContact CE3-CZ 3.95Å; W67-F80 HydrophobicContact CE3-CZ 3.95Å; W67-F80 HydrophobicContact CG-CE2 4.43Å; W67-F80 HydrophobicContact CG-CZ 4.11Å; W67-F80 PolarHBondContact O-N 3.08Å; E78-F80 PolarHBondContact O-N 3.42Å; F80-N89 PolarHBondContact O-OD1 2.91Å; F80-L90 PolarHBondContact O-N 3.32Å; F80-L92 HydrophobicContact CB-CB 4.09Å; F80-L92 HydrophobicContact CB-CD2 4.28Å; F80-F95 HydrophobicContact CB-CD2 3.76Å; F80-F95 HydrophobicContact CB-CE2 3.81Å; F80-F95 HydrophobicContact CD1-CD2 4.46Å; F80-F95 AromaticContact CD1-CE2 3.71Å; F80-F95 HydrophobicContact CD1-CE2 3.71Å; F80-F95 HydrophobicContact CD1-CZ 4.42Å; F80-F95 HydrophobicContact CD2-CD2 4.44Å; F80-F95 HydrophobicContact CD2-CE2 4.34Å; F80-F95 HydrophobicContact CE1-CE2 4.32Å; F80-F95 HydrophobicContact CG-CD2 4Å; F80-F95 AromaticContact CG-CE2 3.7Å; F80-F95 HydrophobicContact CG-CE2 3.7Å; F80-V99 HydrophobicContact CD2-CB 4.5Å; F80-V99 HydrophobicContact CD2-CG1 3.85Å; F80-V99 HydrophobicContact CD2-CG2 4.06Å; F80-V99 HydrophobicContact CE2-CG1 3.84Å; F80-V99 HydrophobicContact CE2-CG2 4.26Å; F80-V112 HydrophobicContact CE2-CG2 4.29Å; F80-V112 HydrophobicContact CZ-CG2 4.34Å; F80-Y125 AromaticContact CE1-CD1 3.8Å; F80-Y125 HydrophobicContact CE1-CD1 3.8Å; F80-Y125 HydrophobicContact CE1-CE1 4.26Å; F80-Y125 AromaticContact CZ-CD1 3.86Å; F80-Y125 HydrophobicContact CZ-CD1 3.86Å; F80-Y125 HydrophobicContact CZ-CE1 4.31Å
81	L	98.3	Very high	95.4	Very high	0 Å²	0	78.7 Å²	78.7	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	140.1	175.9	-176.7	148.7	0	0	0	111.3	L65 W67 I87 V99 F101 V112	L65-L81 HydrophobicContact CD2-CD2 4.23Å; W67-L81 HydrophobicContact CB-CB 4.13Å; W67-L81 PolarHBondContact N-O 3.48Å; L81-I87 HydrophobicContact CD1-CG2 4.24Å; L81-I87 HydrophobicContact CD2-CD1 4.33Å; L81-I87 HydrophobicContact CG-CG2 4.42Å; L81-V99 HydrophobicContact CD1-CG1 3.99Å; L81-F101 HydrophobicContact CD1-CB 4.23Å; L81-F101 HydrophobicContact CD2-CD2 4.26Å; L81-V112 HydrophobicContact CD1-CG1 3.94Å; L81-V112 HydrophobicContact CD2-CG1 4.22Å
82	Q	98.1	Very high	95.4	Very high	47 Å²	47	78 Å²	78	22%	0.22	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	143.8	177.2	174	170.4	84.8	0	0	111.1	L65 N66 M79 R84 I87 I88 L90	L65-Q82 CarbonylContact O-C 3.6Å; L65-Q82 VanDerWaalsContact O-CA 3.27Å; L65-Q82 WeakPolarHBondContact O-CA 3.23Å; N66-Q82 WeakPolarHBondContact OD1-CG 3.39Å; N66-Q82 PolarHBondContact OD1-NE2 3.39Å; M79-Q82 HydrophobicContact SD-CB 3.98Å; Q82-R84 HydrophobicContact CG-CB 4.38Å; Q82-I87 CarbonylContact O-C 3.52Å; Q82-I88 HydrophobicContact CB-CB 4.49Å; Q82-I88 PolarHBondContact N-O 2.89Å; Q82-I88 PolarHBondContact O-N 3.33Å; Q82-L90 HydrophobicContact CB-CD1 4.25Å
83	F	98	Very high	95.4	Very high	11 Å²	11	83.8 Å²	83.8	5%	0.048	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	120.3	160	-171.5	-79	0	0	0	109.6	H60 F63 S64 L65 K86 I87 P105	H60-F83 HydrophobicContact CB-CE1 4.35Å; H60-F83 HydrophobicContact CB-CZ 4.21Å; H60-F83 AromaticContact CG-CZ 3.95Å; H60-F83 AromaticContact ND1-CZ 3.91Å; F63-F83 AromaticContact CD1-CD1 3.52Å; F63-F83 HydrophobicContact CD1-CD1 3.52Å; F63-F83 AromaticContact CD1-CE1 3.8Å; F63-F83 HydrophobicContact CD1-CE1 3.8Å; F63-F83 HydrophobicContact CD1-CG 4.13Å; F63-F83 HydrophobicContact CE1-CB 4.38Å; F63-F83 HydrophobicContact CE1-CD1 4.06Å; F63-F83 HydrophobicContact CE1-CG 4.21Å; S64-F83 WeakPolarHBondContact CA-O 3.37Å; L65-F83 HydrophobicContact CB-CB 3.72Å; L65-F83 HydrophobicContact CD2-CB 4.39Å; L65-F83 PolarHBondContact N-O 3.45Å; L65-F83 PolarHBondContact O-N 2.92Å; F83-K86 WeakPolarHBondContact CA-O 3.4Å; F83-I87 HydrophobicContact CB-CD1 4.19Å; F83-I87 HydrophobicContact CD2-CD1 3.59Å; F83-I87 HydrophobicContact CD2-CG1 4.02Å; F83-I87 HydrophobicContact CG-CD1 4.37Å; F83-P105 HydrophobicContact CE2-CG 4.45Å
84	R	95.4	Very high	95.6	Very high	170 Å²	170	81.7 Å²	81.7	64%	0.642	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144	98.2	167.7	-175.1	179	-178.9	-174.9	0.3	108.6	Q82 K86 I88	Q82-R84 HydrophobicContact CG-CB 4.38Å; R84-K86 PolarHBondContact N-O 2.97Å; R84-K86 PolarHBondContact O-N 3.06Å; R84-I88 HydrophobicContact CB-CD1 4.44Å
85	M	93.8	Very high	95.8	Very high	130 Å²	130	74.1 Å²	74.1	64%	0.64	36%	0.358	S	S	*	.	S	Bend	trans	62.4	-32.3	-166.6	-52.9	-176.5	-70.1	0	0	115	H60	H60-M85 WeakPolarHBondContact O-CA 3.23Å
86	K	95.8	Very high	95.6	Very high	144 Å²	144	77.9 Å²	77.9	63%	0.626	37%	0.37	S	S	*	.	S	Bend	trans	-143.8	165.6	175.8	61.7	178.9	-178.7	175.9	0	109.7	F83 R84 I88	F83-K86 WeakPolarHBondContact CA-O 3.4Å; R84-K86 PolarHBondContact N-O 2.97Å; R84-K86 PolarHBondContact O-N 3.06Å; K86-I88 HydrophobicContact CG-CG1 4.33Å
87	I	97.4	Very high	95.5	Very high	60 Å²	60	78.1 Å²	78.1	31%	0.308	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	134.5	169.2	-63.8	-69.1	0	0	0	109.6	L81 Q82 F83 F101	L81-I87 HydrophobicContact CD1-CG2 4.24Å; L81-I87 HydrophobicContact CD2-CD1 4.33Å; L81-I87 HydrophobicContact CG-CG2 4.42Å; Q82-I87 CarbonylContact O-C 3.52Å; F83-I87 HydrophobicContact CB-CD1 4.19Å; F83-I87 HydrophobicContact CD2-CD1 3.59Å; F83-I87 HydrophobicContact CD2-CG1 4.02Å; F83-I87 HydrophobicContact CG-CD1 4.37Å; I87-F101 HydrophobicContact CD1-CB 3.89Å; I87-F101 HydrophobicContact CD1-CD1 3.63Å; I87-F101 HydrophobicContact CD1-CD2 3.48Å; I87-F101 VanDerWaalsContact CD1-CD2 3.48Å; I87-F101 HydrophobicContact CD1-CE1 3.98Å; I87-F101 HydrophobicContact CD1-CE2 3.86Å; I87-F101 HydrophobicContact CD1-CG 3.36Å; I87-F101 HydrophobicContact CD1-CZ 4.09Å; I87-F101 HydrophobicContact CG1-CB 4.04Å; I87-F101 HydrophobicContact CG1-CD1 3.83Å; I87-F101 HydrophobicContact CG1-CD2 4.45Å; I87-F101 HydrophobicContact CG1-CE1 4.41Å; I87-F101 HydrophobicContact CG1-CG 3.84Å; I87-F101 HydrophobicContact CG2-CB 4.07Å
88	I	97.2	Very high	95.5	Very high	62 Å²	62	75.5 Å²	75.5	32%	0.318	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	109.7	175.7	-54.6	173.4	0	0	0	106	Q82 R84 K86 L90	Q82-I88 HydrophobicContact CB-CB 4.49Å; Q82-I88 PolarHBondContact N-O 2.89Å; Q82-I88 PolarHBondContact O-N 3.33Å; R84-I88 HydrophobicContact CB-CD1 4.44Å; K86-I88 HydrophobicContact CG-CG1 4.33Å; I88-L90 HydrophobicContact CG2-CD1 4.19Å
89	N	95.7	Very high	95.6	Very high	52 Å²	52	71.3 Å²	71.3	28%	0.278	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	122.8	171.3	-173.3	-27.3	0	0	0	108	F80 K91 V99	F80-N89 PolarHBondContact O-OD1 2.91Å; N89-K91 VanDerWaalsContact C-N 3.26Å; N89-K91 PolarHBondContact OD1-N 3.06Å; N89-V99 PolarHBondContact ND2-O 2.92Å
90	L	95.3	Very high	95.6	Very high	79 Å²	79	72.6 Å²	72.6	41%	0.414	34%	0.336	S	S	.	.			trans	-82.4	-6	-177.3	-80.9	74.7	0	0	0	112.5	M79 F80 Q82 I88 L92	M79-L90 HydrophobicContact CB-CD2 4.18Å; M79-L90 HydrophobicContact CG-CD1 4.46Å; M79-L90 HydrophobicContact CG-CD2 4.11Å; M79-L90 WeakPolarHBondContact O-CD2 3.47Å; M79-L90 HydrophobicContact SD-CD1 4.47Å; M79-L90 HydrophobicContact SD-CD2 4.23Å; F80-L90 PolarHBondContact O-N 3.32Å; Q82-L90 HydrophobicContact CB-CD1 4.25Å; I88-L90 HydrophobicContact CG2-CD1 4.19Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L90-L92 PolarHBondContact O-N 3.26Å
91	K	91.6	Very high	95.6	Very high	124 Å²	124	75.1 Å²	75.1	54%	0.539	35%	0.347	S	S	.	.			trans	48.7	53	177.9	-61.3	-167.9	174.2	-145.9	0	112.5	N89 E93 D97	N89-K91 VanDerWaalsContact C-N 3.26Å; N89-K91 PolarHBondContact OD1-N 3.06Å; K91-E93 PolarHBondContact O-N 3.01Å; K91-D97 WeakPolarHBondContact CD-OD1 3.31Å; K91-D97 WeakPolarHBondContact CE-OD1 3.34Å; K91-D97 IonicContact NZ-OD1 3.88Å; K91-D97 PolarHBondContact NZ-OD1 2.87Å; K91-D97 IonicContact NZ-OD2 3.85Å
92	L	93.8	Very high	95.6	Very high	29 Å²	29	77 Å²	77	15%	0.152	36%	0.36	C	S	.	.			trans	-54.8	131	175.3	-141.5	73.6	0	0	0	109	E78 F80 L90 R94 F95 Q96	E78-L92 HydrophobicContact CB-CD1 4.29Å; E78-L92 HydrophobicContact CB-CD2 3.61Å; E78-L92 HydrophobicContact CG-CD2 4.5Å; F80-L92 HydrophobicContact CB-CB 4.09Å; F80-L92 HydrophobicContact CB-CD2 4.28Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L90-L92 PolarHBondContact O-N 3.26Å; L92-R94 HydrophobicContact CB-CG 4.38Å; L92-R94 HydrophobicContact CD2-CG 4.02Å; L92-R94 HydrophobicContact CG-CG 4.45Å; L92-R94 PolarHBondContact O-N 3.5Å; L92-F95 HydrophobicContact CB-CD2 3.88Å; L92-F95 HydrophobicContact CD2-CD2 4.21Å; L92-F95 HydrophobicContact CD2-CE2 4.16Å; L92-F95 PolarHBondContact O-N 3.49Å; L92-Q96 PolarHBondContact O-N 3.04Å
93	E	92.6	Very high	95.5	Very high	179 Å²	179	75.7 Å²	75.7	84%	0.836	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-39.3	-169.4	-173.6	176.5	178	0	0	112.8	K91 F95 Q96	K91-E93 PolarHBondContact O-N 3.01Å; E93-F95 VanDerWaalsContact C-N 3.27Å; E93-F95 PolarHBondContact O-N 3.02Å; E93-Q96 WeakPolarHBondContact O-CG 3.19Å; E93-Q96 PolarHBondContact O-N 3.5Å
94	R	93.1	Very high	95.5	Very high	67 Å²	67	78.3 Å²	78.3	25%	0.253	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-33.4	176.6	72.7	-174.9	-46.7	-83	-8.7	114.6	Y69 L92 R98 E120 D121	Y69-R94 VanDerWaalsContact CE2-NH1 3.28Å; Y69-R94 VanDerWaalsContact CZ-NH1 3.28Å; Y69-R94 PolarHBondContact OH-NH2 2.98Å; L92-R94 HydrophobicContact CB-CG 4.38Å; L92-R94 HydrophobicContact CD2-CG 4.02Å; L92-R94 HydrophobicContact CG-CG 4.45Å; L92-R94 PolarHBondContact O-N 3.5Å; R94-R98 PolarHBondContact O-NH2 3.04Å; R94-E120 PolarHBondContact NH2-O 3.46Å; R94-D121 IonicContact NH1-OD1 3.91Å
95	F	95.1	Very high	95.6	Very high	3 Å²	3	70.7 Å²	70.7	1%	0.013	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-16.6	-178.2	-66.3	-51.2	0	0	0	112.3	Y69 F80 L92 E93 D97 R98 V99 L114 Y125	Y69-F95 AromaticContact CD2-CZ 3.93Å; Y69-F95 HydrophobicContact CD2-CZ 3.93Å; Y69-F95 HydrophobicContact CG-CE2 4.22Å; Y69-F95 AromaticContact CG-CZ 3.86Å; Y69-F95 HydrophobicContact CG-CZ 3.86Å; F80-F95 HydrophobicContact CB-CD2 3.76Å; F80-F95 HydrophobicContact CB-CE2 3.81Å; F80-F95 HydrophobicContact CD1-CD2 4.46Å; F80-F95 AromaticContact CD1-CE2 3.71Å; F80-F95 HydrophobicContact CD1-CE2 3.71Å; F80-F95 HydrophobicContact CD1-CZ 4.42Å; F80-F95 HydrophobicContact CD2-CD2 4.44Å; F80-F95 HydrophobicContact CD2-CE2 4.34Å; F80-F95 HydrophobicContact CE1-CE2 4.32Å; F80-F95 HydrophobicContact CG-CD2 4Å; F80-F95 AromaticContact CG-CE2 3.7Å; F80-F95 HydrophobicContact CG-CE2 3.7Å; L92-F95 HydrophobicContact CB-CD2 3.88Å; L92-F95 HydrophobicContact CD2-CD2 4.21Å; L92-F95 HydrophobicContact CD2-CE2 4.16Å; L92-F95 PolarHBondContact O-N 3.49Å; E93-F95 VanDerWaalsContact C-N 3.27Å; E93-F95 PolarHBondContact O-N 3.02Å; F95-D97 PolarHBondContact O-N 3.37Å; F95-R98 VanDerWaalsContact O-CB 3.3Å; F95-R98 WeakPolarHBondContact O-CB 3.36Å; F95-R98 WeakPolarHBondContact O-CG 3.2Å; F95-R98 PolarHBondContact O-N 3.14Å; F95-V99 HydrophobicContact CB-CG2 3.82Å; F95-V99 HydrophobicContact CD1-CG2 4.28Å; F95-V99 HydrophobicContact CD2-CG2 4.24Å; F95-V99 HydrophobicContact CG-CG2 3.88Å; F95-L114 HydrophobicContact CD1-CD1 3.75Å; F95-L114 HydrophobicContact CE1-CD1 4.18Å; F95-L114 HydrophobicContact CE1-CD2 4.17Å; F95-Y125 AromaticContact CE1-CE1 3.94Å; F95-Y125 HydrophobicContact CE1-CE1 3.94Å; F95-Y125 WeakPolarHBondContact CE1-OH 3.4Å; F95-Y125 AromaticContact CZ-CE1 3.54Å; F95-Y125 HydrophobicContact CZ-CE1 3.54Å; F95-Y125 AromaticContact CZ-CZ 3.95Å
96	Q	90.4	Very high	95.6	Very high	134 Å²	134	67.8 Å²	67.8	63%	0.626	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	-121.9	-175.3	-55.3	174	4.2	0	0	109.9	L92 E93	L92-Q96 PolarHBondContact O-N 3.04Å; E93-Q96 WeakPolarHBondContact O-CG 3.19Å; E93-Q96 PolarHBondContact O-N 3.5Å
97	D	94	Very high	95.7	Very high	108 Å²	108	68.6 Å²	68.6	58%	0.578	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	16.9	176.8	-71	-47	0	0	0	113.3	K91 F95 V99	K91-D97 WeakPolarHBondContact CD-OD1 3.31Å; K91-D97 WeakPolarHBondContact CE-OD1 3.34Å; K91-D97 IonicContact NZ-OD1 3.88Å; K91-D97 PolarHBondContact NZ-OD1 2.87Å; K91-D97 IonicContact NZ-OD2 3.85Å; F95-D97 PolarHBondContact O-N 3.37Å; D97-V99 PolarHBondContact O-N 3.31Å
98	R	97.6	Very high	95.7	Very high	31 Å²	31	69.1 Å²	69.1	12%	0.117	34%	0.341	C	S	.	.			trans	-81.9	-8.3	-173.5	-60	-176.5	-60.6	112.6	-3.4	114.7	R94 F95 L114 R115 N116 D121	R94-R98 PolarHBondContact O-NH2 3.04Å; F95-R98 VanDerWaalsContact O-CB 3.3Å; F95-R98 WeakPolarHBondContact O-CB 3.36Å; F95-R98 WeakPolarHBondContact O-CG 3.2Å; F95-R98 PolarHBondContact O-N 3.14Å; R98-L114 HydrophobicContact CB-CD1 4.06Å; R98-R115 HydrophobicContact CB-CB 4.23Å; R98-R115 WeakPolarHBondContact CB-O 3.33Å; R98-R115 WeakPolarHBondContact CD-O 3.47Å; R98-R115 PolarHBondContact NH1-O 3.01Å; R98-R115 PolarHBondContact O-N 2.81Å; R98-N116 PolarHBondContact NH1-O 2.94Å; R98-D121 IonicContact CZ-OD1 3.37Å; R98-D121 IonicContact CZ-OD2 2.81Å; R98-D121 VanDerWaalsContact CZ-OD2 3.25Å; R98-D121 IonicContact NH1-OD1 3.87Å; R98-D121 IonicContact NH1-OD2 2.71Å; R98-D121 PolarHBondContact NH1-OD2 2.76Å; R98-D121 IonicContact NH2-OD1 3.89Å; R98-D121 PolarHBondContact NH2-OD1 3.36Å; R98-D121 IonicContact NH2-OD2 3.01Å; R98-D121 PolarHBondContact NH2-OD2 2.98Å
99	V	98.2	Very high	95.8	Very high	8 Å²	8	67.6 Å²	67.6	5%	0.048	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	127.3	-179	173.9	0	0	0	0	111.3	F80 L81 N89 F95 D97 M113 L114	F80-V99 HydrophobicContact CD2-CB 4.5Å; F80-V99 HydrophobicContact CD2-CG1 3.85Å; F80-V99 HydrophobicContact CD2-CG2 4.06Å; F80-V99 HydrophobicContact CE2-CG1 3.84Å; F80-V99 HydrophobicContact CE2-CG2 4.26Å; L81-V99 HydrophobicContact CD1-CG1 3.99Å; N89-V99 PolarHBondContact ND2-O 2.92Å; F95-V99 HydrophobicContact CB-CG2 3.82Å; F95-V99 HydrophobicContact CD1-CG2 4.28Å; F95-V99 HydrophobicContact CD2-CG2 4.24Å; F95-V99 HydrophobicContact CG-CG2 3.88Å; D97-V99 PolarHBondContact O-N 3.31Å; V99-M113 WeakPolarHBondContact CA-O 3.35Å; V99-L114 HydrophobicContact CG2-CD1 3.8Å
100	E	97.8	Very high	95.9	Very high	85 Å²	85	65.1 Å²	65.1	40%	0.397	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	142.4	175.6	-62.3	173.5	170.4	0	0	110.5	S102 V112 M113 R115	E100-S102 PolarHBondContact O-N 3.27Å; E100-V112 CarbonylContact O-C 3.6Å; E100-V112 WeakPolarHBondContact O-CA 3.47Å; E100-M113 HydrophobicContact CB-CB 4.26Å; E100-M113 PolarHBondContact N-O 3.44Å; E100-M113 PolarHBondContact O-N 2.9Å; E100-R115 IonicContact OE1-NE 3.75Å; E100-R115 IonicContact OE2-CZ 2.95Å; E100-R115 IonicContact OE2-NE 2.74Å; E100-R115 PolarHBondContact OE2-NE 3.34Å; E100-R115 IonicContact OE2-NH2 3.64Å; E100-R115 PolarHBondContact OE2-NH2 2.69Å
101	F	98.1	Very high	96.1	Very high	55 Å²	55	61.4 Å²	61.4	24%	0.241	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	127.2	169.1	-174.2	-109.6	0	0	0	109.6	L65 L81 I87 G103 P105 V112	L65-F101 HydrophobicContact CD2-CE2 3.86Å; L81-F101 HydrophobicContact CD1-CB 4.23Å; L81-F101 HydrophobicContact CD2-CD2 4.26Å; I87-F101 HydrophobicContact CD1-CB 3.89Å; I87-F101 HydrophobicContact CD1-CD1 3.63Å; I87-F101 HydrophobicContact CD1-CD2 3.48Å; I87-F101 VanDerWaalsContact CD1-CD2 3.48Å; I87-F101 HydrophobicContact CD1-CE1 3.98Å; I87-F101 HydrophobicContact CD1-CE2 3.86Å; I87-F101 HydrophobicContact CD1-CG 3.36Å; I87-F101 HydrophobicContact CD1-CZ 4.09Å; I87-F101 HydrophobicContact CG1-CB 4.04Å; I87-F101 HydrophobicContact CG1-CD1 3.83Å; I87-F101 HydrophobicContact CG1-CD2 4.45Å; I87-F101 HydrophobicContact CG1-CE1 4.41Å; I87-F101 HydrophobicContact CG1-CG 3.84Å; I87-F101 HydrophobicContact CG2-CB 4.07Å; F101-G103 WeakPolarHBondContact CE1-O 3.3Å; F101-P105 HydrophobicContact CE1-CG 4.26Å; F101-P105 HydrophobicContact CZ-CG 3.86Å; F101-V112 HydrophobicContact CD2-CG1 4.27Å
102	S	98.3	Very high	96.4	Very high	39 Å²	39	55.5 Å²	55.5	27%	0.273	28%	0.275	S	S	.	.			trans	-124.3	7.5	-176	71.9	0	0	0	0	113.9	R47 E100 S111	R47-S102 PolarHBondContact NE-OG 3.36Å; R47-S102 PolarHBondContact NH2-O 2.96Å; R47-S102 VanDerWaalsContact NH2-O 3.15Å; E100-S102 PolarHBondContact O-N 3.27Å; S102-S111 CarbonylContact C-O 3.54Å; S102-S111 PolarHBondContact N-O 3.31Å; S102-S111 PolarHBondContact OG-O 2.83Å
103	G	97.4	Very high	96.7	Very high	19 Å²	19	55.7 Å²	55.7	20%	0.196	28%	0.276	C	S	.	.			trans	-94.8	178	179.2	0	0	0	0	0	113.9	F101 D109 S111	F101-G103 WeakPolarHBondContact CE1-O 3.3Å; G103-D109 CarbonylContact C-O 3.51Å; G103-D109 WeakPolarHBondContact CA-O 3.23Å; G103-S111 PolarHBondContact N-O 2.92Å
104	N	97.1	Very high	97	Very high	67 Å²	67	47.3 Å²	47.3	36%	0.358	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-135	102.9	167.5	179.8	-16.8	0	0	0	108.6	S106 K107 Y108 D109	N104-S106 PolarHBondContact O-N 2.87Å; N104-S106 WeakPolarHBondContact OD1-CB 3.23Å; N104-S106 PolarHBondContact OD1-N 3.2Å; N104-S106 VanDerWaalsContact OD1-N 3.07Å; N104-K107 HydrophobicContact CB-CB 4.28Å; N104-K107 HydrophobicContact CB-CG 4.5Å; N104-K107 CarbonylContact O-C 3.51Å; N104-K107 WeakPolarHBondContact O-CA 3.45Å; N104-K107 PolarHBondContact O-N 2.82Å; N104-Y108 PolarHBondContact O-N 3.01Å; N104-D109 CarbonylContact C-O 3.53Å; N104-D109 WeakPolarHBondContact CA-O 3.43Å; N104-D109 PolarHBondContact N-O 2.68Å; N104-D109 PolarHBondContact O-N 3.21Å; N104-D109 VanDerWaalsContact O-N 3.11Å
105	P	96.7	Very high	97.2	Very high	9 Å²	9	48.3 Å²	48.3	6%	0.058	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-58	-32.9	-176.8	-27.6	36.1	0	0	0	113.3	V58 F63 F83 F101 K107 Y108	V58-P105 HydrophobicContact CG1-CB 4.21Å; V58-P105 WeakPolarHBondContact CG2-O 3.38Å; F63-P105 HydrophobicContact CD1-CB 4.43Å; F63-P105 HydrophobicContact CE1-CB 3.93Å; F63-P105 HydrophobicContact CE1-CG 4.24Å; F63-P105 HydrophobicContact CZ-CB 4.21Å; F83-P105 HydrophobicContact CE2-CG 4.45Å; F101-P105 HydrophobicContact CE1-CG 4.26Å; F101-P105 HydrophobicContact CZ-CG 3.86Å; P105-K107 PolarHBondContact O-N 3.22Å; P105-Y108 WeakPolarHBondContact O-CA 3.39Å; P105-Y108 PolarHBondContact O-N 3.11Å
106	S	95.7	Very high	97.3	Very high	70 Å²	70	51.9 Å²	51.9	49%	0.49	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-67.3	-17.8	176.7	-48.7	0	0	0	0	113.5	N104	N104-S106 PolarHBondContact O-N 2.87Å; N104-S106 WeakPolarHBondContact OD1-CB 3.23Å; N104-S106 PolarHBondContact OD1-N 3.2Å; N104-S106 VanDerWaalsContact OD1-N 3.07Å
107	K	97.3	Very high	97.7	Very high	160 Å²	160	45.5 Å²	45.5	70%	0.696	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-103.3	16	170.5	-66.2	-174	174.5	-176	0	112.3	N104 P105 D109	N104-K107 HydrophobicContact CB-CB 4.28Å; N104-K107 HydrophobicContact CB-CG 4.5Å; N104-K107 CarbonylContact O-C 3.51Å; N104-K107 WeakPolarHBondContact O-CA 3.45Å; N104-K107 PolarHBondContact O-N 2.82Å; P105-K107 PolarHBondContact O-N 3.22Å; K107-D109 PolarHBondContact O-N 3.13Å
108	Y	97.8	Very high	97.9	Very high	72 Å²	72	43.1 Å²	43.1	28%	0.282	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	25.3	-178.8	-38.6	-66.2	0	0	0	114.5	T51 F52 V58 N104 P105	T51-Y108 CarbonylContact C-O 3.44Å; T51-Y108 WeakPolarHBondContact CA-O 3.42Å; F52-Y108 WeakPolarHBondContact CD1-O 3.31Å; F52-Y108 HydrophobicContact CD2-CD1 4.11Å; F52-Y108 HydrophobicContact CD2-CG 4.45Å; F52-Y108 AromaticContact CE2-CD1 3.47Å; F52-Y108 HydrophobicContact CE2-CD1 3.47Å; F52-Y108 VanDerWaalsContact CE2-CD1 3.47Å; F52-Y108 HydrophobicContact CE2-CE1 4.34Å; F52-Y108 HydrophobicContact CE2-CG 4.19Å; F52-Y108 AromaticContact CZ-CD1 3.71Å; F52-Y108 HydrophobicContact CZ-CD1 3.71Å; F52-Y108 HydrophobicContact CZ-CG 4.39Å; F52-Y108 PolarHBondContact N-O 2.96Å; F52-Y108 WeakPolarHBondContact O-CB 3.44Å; V58-Y108 HydrophobicContact CG2-CD1 4.11Å; V58-Y108 HydrophobicContact CG2-CE1 4.19Å; N104-Y108 PolarHBondContact O-N 3.01Å; P105-Y108 WeakPolarHBondContact O-CA 3.39Å; P105-Y108 PolarHBondContact O-N 3.11Å
109	D	98.6	Very high	97.8	Very high	30 Å²	30	44.2 Å²	44.2	16%	0.16	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-108.4	120.7	176.1	-175.6	-14.6	0	0	0	109.3	R47 T51 G103 N104 K107 S111	R47-D109 IonicContact CZ-OD2 3.72Å; R47-D109 IonicContact NH1-OD2 3.81Å; R47-D109 IonicContact NH2-OD1 3.51Å; R47-D109 IonicContact NH2-OD2 2.75Å; R47-D109 PolarHBondContact NH2-OD2 3.18Å; T51-D109 HydrophobicContact CG2-CB 4.14Å; G103-D109 CarbonylContact C-O 3.51Å; G103-D109 WeakPolarHBondContact CA-O 3.23Å; N104-D109 CarbonylContact C-O 3.53Å; N104-D109 WeakPolarHBondContact CA-O 3.43Å; N104-D109 PolarHBondContact N-O 2.68Å; N104-D109 PolarHBondContact O-N 3.21Å; N104-D109 VanDerWaalsContact O-N 3.11Å; K107-D109 PolarHBondContact O-N 3.13Å; D109-S111 WeakPolarHBondContact OD1-CB 3.08Å; D109-S111 PolarHBondContact OD1-N 3.05Å; D109-S111 PolarHBondContact OD1-OG 3.05Å
110	V	98.6	Very high	97.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.254	C	S	.	.			trans	-120.5	24.7	-178.9	-66.9	0	0	0	0	112.1	C50 F52 F63 L65 W67 I129	C50-V110 HydrophobicContact CB-CG2 3.92Å; C50-V110 WeakPolarHBondContact O-CG2 3.32Å; C50-V110 PolarHBondContact O-N 3.06Å; C50-V110 VanDerWaalsContact SG-CG2 3.57Å; F52-V110 HydrophobicContact CD1-CG1 4.07Å; F52-V110 HydrophobicContact CD1-CG2 4.4Å; F52-V110 HydrophobicContact CE1-CG1 3.79Å; F63-V110 HydrophobicContact CE1-CG1 4.47Å; F63-V110 HydrophobicContact CZ-CG1 3.82Å; L65-V110 HydrophobicContact CD1-CB 3.77Å; L65-V110 HydrophobicContact CD1-CG1 4.17Å; L65-V110 HydrophobicContact CD1-CG2 3.88Å; L65-V110 HydrophobicContact CD2-CB 3.71Å; L65-V110 HydrophobicContact CD2-CG1 4.02Å; L65-V110 HydrophobicContact CG-CB 4.34Å; W67-V110 PolarHBondContact NE1-O 2.94Å; V110-I129 HydrophobicContact CG2-CD1 4.46Å; V110-I129 HydrophobicContact CG2-CG1 4.03Å
111	S	98.8	Very high	97.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.235	C	C	.	.			trans	-62	150.8	-178.2	-53.3	0	0	0	0	113	R47 L48 P49 C50 S102 G103 D109	R47-S111 VanDerWaalsContact CZ-CB 3.45Å; R47-S111 PolarHBondContact NH1-OG 2.85Å; R47-S111 PolarHBondContact NH2-OG 3.49Å; L48-S111 VanDerWaalsContact O-CA 3.31Å; L48-S111 WeakPolarHBondContact O-CA 3.36Å; L48-S111 WeakPolarHBondContact O-CB 3.32Å; P49-S111 WeakPolarHBondContact CA-OG 3.46Å; C50-S111 PolarHBondContact N-OG 2.79Å; C50-S111 VanDerWaalsContact N-OG 3.1Å; S102-S111 CarbonylContact C-O 3.54Å; S102-S111 PolarHBondContact N-O 3.31Å; S102-S111 PolarHBondContact OG-O 2.83Å; G103-S111 PolarHBondContact N-O 2.92Å; D109-S111 WeakPolarHBondContact OD1-CB 3.08Å; D109-S111 PolarHBondContact OD1-N 3.05Å; D109-S111 PolarHBondContact OD1-OG 3.05Å
112	V	98.7	Very high	97.6	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	151.3	173	-64.2	0	0	0	0	109.8	L48 W67 F80 L81 E100 F101	L48-V112 HydrophobicContact CB-CG2 3.79Å; L48-V112 HydrophobicContact CD1-CG2 3.73Å; L48-V112 HydrophobicContact CG-CG2 4.08Å; L48-V112 PolarHBondContact N-O 2.95Å; L48-V112 PolarHBondContact O-N 3.41Å; W67-V112 HydrophobicContact CD2-CG1 4.22Å; W67-V112 HydrophobicContact CD2-CG2 4Å; W67-V112 HydrophobicContact CE3-CG2 4.25Å; W67-V112 HydrophobicContact CG-CG1 4.06Å; W67-V112 HydrophobicContact CH2-CG2 4.21Å; W67-V112 HydrophobicContact CZ2-CG1 4.46Å; W67-V112 HydrophobicContact CZ2-CG2 3.95Å; W67-V112 HydrophobicContact CZ3-CG2 4.36Å; F80-V112 HydrophobicContact CE2-CG2 4.29Å; F80-V112 HydrophobicContact CZ-CG2 4.34Å; L81-V112 HydrophobicContact CD1-CG1 3.94Å; L81-V112 HydrophobicContact CD2-CG1 4.22Å; E100-V112 CarbonylContact O-C 3.6Å; E100-V112 WeakPolarHBondContact O-CA 3.47Å; F101-V112 HydrophobicContact CD2-CG1 4.27Å
113	M	98.6	Very high	97.6	Very high	33 Å²	33	46 Å²	46	16%	0.163	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	129.9	173.1	-177.8	68.4	73.6	0	0	107.9	D45 A46 R47 V99 E100 R115	D45-M113 HydrophobicContact CB-SD 3.93Å; A46-M113 VanDerWaalsContact C-SD 3.58Å; A46-M113 CarbonylContact O-C 3.55Å; A46-M113 WeakPolarHBondContact O-CA 3.48Å; R47-M113 HydrophobicContact CB-CE 3.94Å; R47-M113 HydrophobicContact CB-SD 4.16Å; R47-M113 HydrophobicContact CG-CE 4.3Å; V99-M113 WeakPolarHBondContact CA-O 3.35Å; E100-M113 HydrophobicContact CB-CB 4.26Å; E100-M113 PolarHBondContact N-O 3.44Å; E100-M113 PolarHBondContact O-N 2.9Å; M113-R115 HydrophobicContact CG-CG 4.47Å
114	L	98.6	Very high	97.6	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.016	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	111.5	170.5	178	63.5	0	0	0	107.7	A46 F95 R98 V99 V117 D121 L144	A46-L114 HydrophobicContact CB-CB 4.34Å; A46-L114 PolarHBondContact N-O 2.87Å; A46-L114 PolarHBondContact O-N 2.64Å; F95-L114 HydrophobicContact CD1-CD1 3.75Å; F95-L114 HydrophobicContact CE1-CD1 4.18Å; F95-L114 HydrophobicContact CE1-CD2 4.17Å; R98-L114 HydrophobicContact CB-CD1 4.06Å; V99-L114 HydrophobicContact CG2-CD1 3.8Å; L114-V117 HydrophobicContact CD2-CG2 4.31Å; L114-V117 HydrophobicContact CG-CG2 4.26Å; L114-D121 HydrophobicContact CD2-CB 3.94Å; L114-L144 HydrophobicContact CD2-CD2 4.33Å
115	R	98.4	Very high	97.7	Very high	88 Å²	88	42.3 Å²	42.3	33%	0.332	21%	0.207	S	C	.	.			trans	-78.9	149.1	-177.5	-60.6	-63.6	-176	173.3	-1.4	111.8	D45 R98 E100 M113 V117	D45-R115 VanDerWaalsContact CG-CD 3.4Å; D45-R115 VanDerWaalsContact OD1-CA 3.23Å; D45-R115 WeakPolarHBondContact OD1-CA 3.42Å; D45-R115 WeakPolarHBondContact OD1-CD 3.44Å; D45-R115 VanDerWaalsContact OD2-CD 3.26Å; D45-R115 WeakPolarHBondContact OD2-CD 3.16Å; D45-R115 IonicContact OD2-CZ 2.69Å; D45-R115 IonicContact OD2-NE 3.25Å; D45-R115 IonicContact OD2-NH1 2.68Å; D45-R115 PolarHBondContact OD2-NH1 3.49Å; R98-R115 HydrophobicContact CB-CB 4.23Å; R98-R115 WeakPolarHBondContact CB-O 3.33Å; R98-R115 WeakPolarHBondContact CD-O 3.47Å; R98-R115 PolarHBondContact NH1-O 3.01Å; R98-R115 PolarHBondContact O-N 2.81Å; E100-R115 IonicContact OE1-NE 3.75Å; E100-R115 IonicContact OE2-CZ 2.95Å; E100-R115 IonicContact OE2-NE 2.74Å; E100-R115 PolarHBondContact OE2-NE 3.34Å; E100-R115 IonicContact OE2-NH2 3.64Å; E100-R115 PolarHBondContact OE2-NH2 2.69Å; M113-R115 HydrophobicContact CG-CG 4.47Å; R115-V117 PolarHBondContact O-N 2.84Å
116	N	97.6	Very high	97.8	Very high	78 Å²	78	42 Å²	42	42%	0.417	21%	0.205	S	C	.	.	S	Bend	trans	44.3	60.5	171.5	-177.2	39	0	0	0	111.9	G43 S44 D45 R98 Q118	G43-N116 WeakPolarHBondContact CA-OD1 3.17Å; S44-N116 PolarHBondContact O-N 3.19Å; D45-N116 PolarHBondContact OD1-N 3.43Å; R98-N116 PolarHBondContact NH1-O 2.94Å; N116-Q118 VanDerWaalsContact CG-NE2 3.33Å; N116-Q118 PolarHBondContact ND2-NE2 3.1Å; N116-Q118 VanDerWaalsContact ND2-NE2 3.13Å; N116-Q118 PolarHBondContact O-NE2 2.74Å; N116-Q118 PolarHBondContact OD1-NE2 2.86Å
117	V	98	Very high	97.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.182	C	C	.	.			trans	-55.5	135.6	-175.8	172.8	0	0	0	0	110.1	V40 N42 G43 S44 A46 L114 R115 D121 V146	V40-V117 HydrophobicContact CG1-CB 4.39Å; V40-V117 HydrophobicContact CG1-CG1 4.47Å; V40-V117 HydrophobicContact CG1-CG2 4.06Å; N42-V117 PolarHBondContact OD1-O 3.43Å; N42-V117 VanDerWaalsContact OD1-O 3.06Å; G43-V117 PolarHBondContact N-O 2.95Å; S44-V117 WeakPolarHBondContact O-CB 3.42Å; S44-V117 VanDerWaalsContact O-CG2 3.23Å; S44-V117 WeakPolarHBondContact O-CG2 3.48Å; S44-V117 PolarHBondContact O-N 3.32Å; A46-V117 HydrophobicContact CB-CG2 3.51Å; L114-V117 HydrophobicContact CD2-CG2 4.31Å; L114-V117 HydrophobicContact CG-CG2 4.26Å; R115-V117 PolarHBondContact O-N 2.84Å; V117-D121 HydrophobicContact CG1-CB 4.32Å; V117-V146 HydrophobicContact CG1-CG1 4.09Å; V117-V146 HydrophobicContact CG1-CG2 3.64Å
118	Q	97.3	Very high	98	Very high	57 Å²	57	33.7 Å²	33.7	27%	0.266	16%	0.159	S	C	.	.			trans	-116	158.3	177.7	-57.2	-58.3	-34.3	0	0	110.7	N116 E120 D121	N116-Q118 VanDerWaalsContact CG-NE2 3.33Å; N116-Q118 PolarHBondContact ND2-NE2 3.1Å; N116-Q118 VanDerWaalsContact ND2-NE2 3.13Å; N116-Q118 PolarHBondContact O-NE2 2.74Å; N116-Q118 PolarHBondContact OD1-NE2 2.86Å; Q118-E120 VanDerWaalsContact CB-OE2 3.23Å; Q118-E120 WeakPolarHBondContact CB-OE2 3.35Å; Q118-E120 PolarHBondContact O-N 2.71Å; Q118-E120 VanDerWaalsContact O-N 3.1Å; Q118-D121 PolarHBondContact N-OD2 2.84Å; Q118-D121 VanDerWaalsContact O-CB 3.23Å; Q118-D121 WeakPolarHBondContact O-CB 3.32Å; Q118-D121 PolarHBondContact O-N 3.18Å
119	P	96.6	Very high	98	Very high	55 Å²	55	30.2 Å²	30.2	36%	0.357	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-54.7	-31.6	178.2	-26.2	36.6	0	0	0	113.4	D121 E122	P119-D121 PolarHBondContact O-N 3.49Å; P119-E122 WeakPolarHBondContact O-CB 3.43Å; P119-E122 PolarHBondContact O-N 3.46Å
120	E	95.6	Very high	97.9	Very high	133 Å²	133	30.5 Å²	30.5	62%	0.621	15%	0.146	S	C	*	.	G	3₁₀ helix	trans	-68.7	-18.8	178.1	-57.3	71.2	-146.8	0	0	112.3	R94 Q118 E122	R94-E120 PolarHBondContact NH2-O 3.46Å; Q118-E120 VanDerWaalsContact CB-OE2 3.23Å; Q118-E120 WeakPolarHBondContact CB-OE2 3.35Å; Q118-E120 PolarHBondContact O-N 2.71Å; Q118-E120 VanDerWaalsContact O-N 3.1Å; E120-E122 PolarHBondContact O-N 2.89Å
121	D	97.1	Very high	97.9	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.011	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-73.3	-12.1	177	-66.5	-39.9	0	0	0	113.3	R94 R98 L114 V117 Q118 P119 G123 Y125 L144	R94-D121 IonicContact NH1-OD1 3.91Å; R98-D121 IonicContact CZ-OD1 3.37Å; R98-D121 IonicContact CZ-OD2 2.81Å; R98-D121 VanDerWaalsContact CZ-OD2 3.25Å; R98-D121 IonicContact NH1-OD1 3.87Å; R98-D121 IonicContact NH1-OD2 2.71Å; R98-D121 PolarHBondContact NH1-OD2 2.76Å; R98-D121 IonicContact NH2-OD1 3.89Å; R98-D121 PolarHBondContact NH2-OD1 3.36Å; R98-D121 IonicContact NH2-OD2 3.01Å; R98-D121 PolarHBondContact NH2-OD2 2.98Å; L114-D121 HydrophobicContact CD2-CB 3.94Å; V117-D121 HydrophobicContact CG1-CB 4.32Å; Q118-D121 PolarHBondContact N-OD2 2.84Å; Q118-D121 VanDerWaalsContact O-CB 3.23Å; Q118-D121 WeakPolarHBondContact O-CB 3.32Å; Q118-D121 PolarHBondContact O-N 3.18Å; P119-D121 PolarHBondContact O-N 3.49Å; D121-G123 PolarHBondContact O-N 2.92Å; D121-Y125 WeakPolarHBondContact O-CE2 3.35Å; D121-Y125 PolarHBondContact O-OH 3.32Å; D121-L144 HydrophobicContact CB-CD2 4.36Å
122	E	97.6	Very high	97.7	Very high	86 Å²	86	32.3 Å²	32.3	40%	0.402	16%	0.158	S	C	.	.			trans	-53.5	133.1	174.1	176	157.5	132.4	0	0	111.2	Y69 P119 E120 L144 V146	Y69-E122 PolarHBondContact OH-O 2.79Å; P119-E122 WeakPolarHBondContact O-CB 3.43Å; P119-E122 PolarHBondContact O-N 3.46Å; E120-E122 PolarHBondContact O-N 2.89Å; E122-L144 WeakPolarHBondContact CG-O 3.45Å; E122-V146 HydrophobicContact CB-CG2 4.18Å; E122-V146 PolarHBondContact OE2-N 2.97Å
123	G	97.5	Very high	97.6	Very high	4 Å²	4	36 Å²	36	4%	0.041	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.9	-161.5	-179.7	0	0	0	0	0	113.4	D121 L144	D121-G123 PolarHBondContact O-N 2.92Å; G123-L144 PolarHBondContact N-O 2.87Å; G123-L144 VanDerWaalsContact N-O 3.16Å; G123-L144 PolarHBondContact O-N 2.85Å
124	I	98.6	Very high	97.3	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	124.7	-174.1	-62.9	161.6	0	0	0	109.2	Y69 Q70 N73 K141 I142	Y69-I124 CarbonylContact C-O 3.6Å; Y69-I124 WeakPolarHBondContact CA-O 3.34Å; Q70-I124 HydrophobicContact CB-CB 4.18Å; Q70-I124 PolarHBondContact N-O 2.89Å; Q70-I124 PolarHBondContact O-N 2.91Å; N73-I124 HydrophobicContact CB-CD1 4.42Å; N73-I124 WeakPolarHBondContact OD1-CD1 3.42Å; I124-K141 HydrophobicContact CG2-CD 4.12Å; I124-K141 HydrophobicContact CG2-CG 3.72Å; I124-I142 CarbonylContact C-O 3.55Å; I124-I142 WeakPolarHBondContact CA-O 3.07Å
125	Y	98.6	Very high	96.9	Very high	1 Å²	1	47 Å²	47	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.1	176.9	-65.8	-104	0	0	0	109.1	L48 T68 Y69 F80 F95 D121 I142 L144	L48-Y125 HydrophobicContact CD1-CD1 3.28Å; L48-Y125 HydrophobicContact CD1-CD2 4.36Å; L48-Y125 HydrophobicContact CD1-CE1 3.74Å; L48-Y125 HydrophobicContact CD1-CG 3.63Å; T68-Y125 WeakPolarHBondContact O-CA 3.29Å; Y69-Y125 HydrophobicContact CD2-CD1 4.33Å; Y69-Y125 HydrophobicContact CD2-CD2 4.32Å; Y69-Y125 AromaticContact CD2-CE1 3.89Å; Y69-Y125 HydrophobicContact CD2-CE1 3.89Å; Y69-Y125 AromaticContact CD2-CE2 3.83Å; Y69-Y125 HydrophobicContact CD2-CE2 3.83Å; Y69-Y125 AromaticContact CD2-CZ 3.61Å; Y69-Y125 HydrophobicContact CE2-CE2 4.02Å; Y69-Y125 AromaticContact CE2-CZ 4Å; F80-Y125 AromaticContact CE1-CD1 3.8Å; F80-Y125 HydrophobicContact CE1-CD1 3.8Å; F80-Y125 HydrophobicContact CE1-CE1 4.26Å; F80-Y125 AromaticContact CZ-CD1 3.86Å; F80-Y125 HydrophobicContact CZ-CD1 3.86Å; F80-Y125 HydrophobicContact CZ-CE1 4.31Å; F95-Y125 AromaticContact CE1-CE1 3.94Å; F95-Y125 HydrophobicContact CE1-CE1 3.94Å; F95-Y125 WeakPolarHBondContact CE1-OH 3.4Å; F95-Y125 AromaticContact CZ-CE1 3.54Å; F95-Y125 HydrophobicContact CZ-CE1 3.54Å; F95-Y125 AromaticContact CZ-CZ 3.95Å; D121-Y125 WeakPolarHBondContact O-CE2 3.35Å; D121-Y125 PolarHBondContact O-OH 3.32Å; Y125-I142 PolarHBondContact N-O 3.02Å; Y125-I142 PolarHBondContact O-N 2.97Å; Y125-L144 HydrophobicContact CD2-CB 3.78Å; Y125-L144 HydrophobicContact CD2-CD2 4.41Å; Y125-L144 HydrophobicContact CE2-CB 3.58Å; Y125-L144 HydrophobicContact CE2-CD2 3.57Å; Y125-L144 HydrophobicContact CE2-CG 4.22Å
126	N	98.6	Very high	96.5	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.5	179.3	-55.4	-78.6	0	0	0	110.6	W67 T68 Y128 H139 G140	W67-N126 CarbonylContact C-O 3.57Å; W67-N126 VanDerWaalsContact CA-O 3.28Å; W67-N126 WeakPolarHBondContact CA-O 3.49Å; T68-N126 PolarHBondContact N-O 3.26Å; T68-N126 PolarHBondContact O-N 2.79Å; T68-N126 WeakPolarHBondContact OG1-CB 3.45Å; T68-N126 PolarHBondContact OG1-ND2 3.26Å; N126-Y128 HydrophobicContact CB-CD2 4.25Å; N126-Y128 HydrophobicContact CB-CE2 3.48Å; N126-Y128 VanDerWaalsContact CB-CE2 3.48Å; N126-H139 PolarHBondContact OD1-NE2 3.28Å; N126-G140 CarbonylContact C-O 2.97Å; N126-G140 VanDerWaalsContact CA-O 3.25Å; N126-G140 WeakPolarHBondContact CA-O 3.4Å
127	C	98.3	Very high	96.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.7	166.3	55.4	0	0	0	0	109.3	C50 L65 W67 I129 H139 G140	C50-C127 HydrophobicContact CB-CB 3.92Å; C50-C127 WeakPolarHBondContact CB-SG 3.49Å; C50-C127 WeakPolarHBondContact SG-CB 3.17Å; C50-C127 CovalentContact SG-SG 2.06Å; C50-C127 PolarHBondContact SG-SG 3.47Å; L65-C127 HydrophobicContact CD1-CB 4.45Å; W67-C127 HydrophobicContact CD2-CB 3.96Å; W67-C127 HydrophobicContact CE3-CB 4.14Å; W67-C127 HydrophobicContact CH2-CB 3.95Å; W67-C127 HydrophobicContact CZ2-CB 3.75Å; W67-C127 HydrophobicContact CZ3-CB 4.11Å; C127-I129 HydrophobicContact CB-CD1 4.17Å; C127-H139 WeakPolarHBondContact O-CA 3.15Å; C127-G140 PolarHBondContact N-O 3.32Å; C127-G140 PolarHBondContact O-N 3.41Å
128	Y	98.4	Very high	96.3	Very high	55 Å²	55	50.7 Å²	50.7	22%	0.216	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.6	173.6	-61.8	-82	0	0	0	109.8	L65 N66 T68 E77 N126 G138 H139	L65-Y128 CarbonylContact C-O 3.6Å; L65-Y128 VanDerWaalsContact CA-O 3.31Å; L65-Y128 WeakPolarHBondContact CA-O 3.43Å; N66-Y128 PolarHBondContact N-O 3.49Å; N66-Y128 PolarHBondContact O-N 3.43Å; T68-Y128 HydrophobicContact CG2-CD2 4.35Å; T68-Y128 HydrophobicContact CG2-CE2 4.17Å; E77-Y128 PolarHBondContact OE1-OH 2.76Å; E77-Y128 WeakPolarHBondContact OE2-CE2 3.41Å; E77-Y128 PolarHBondContact OE2-OH 2.97Å; N126-Y128 HydrophobicContact CB-CD2 4.25Å; N126-Y128 HydrophobicContact CB-CE2 3.48Å; N126-Y128 VanDerWaalsContact CB-CE2 3.48Å; Y128-G138 CarbonylContact C-O 3.48Å; Y128-G138 WeakPolarHBondContact CA-O 3.46Å; Y128-H139 HydrophobicContact CD1-CB 4.14Å; Y128-H139 AromaticContact CD1-CD2 3.75Å; Y128-H139 AromaticContact CD1-CG 4Å; Y128-H139 HydrophobicContact CE1-CB 4.16Å; Y128-H139 AromaticContact CE1-CD2 3.27Å; Y128-H139 WeakPolarHBondContact CE1-CD2 3.44Å; Y128-H139 AromaticContact CE1-CG 3.56Å; Y128-H139 AromaticContact CE1-NE2 3.59Å; Y128-H139 AromaticContact CZ-CD2 3.62Å; Y128-H139 AromaticContact CZ-NE2 3.55Å; Y128-H139 PolarHBondContact OH-NE2 3.35Å
129	I	98.2	Very high	96.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.5	-175.3	-48.9	79.5	0	0	0	109.7	M30 V32 F52 F63 L65 V110 C127 R137 G138	M30-I129 HydrophobicContact CE-CB 3.58Å; M30-I129 HydrophobicContact CE-CG1 4.34Å; M30-I129 HydrophobicContact CE-CG2 3.4Å; M30-I129 VanDerWaalsContact CE-CG2 3.4Å; M30-I129 HydrophobicContact SD-CB 4.29Å; M30-I129 HydrophobicContact SD-CG2 4.34Å; V32-I129 HydrophobicContact CG1-CD1 4.18Å; V32-I129 HydrophobicContact CG2-CD1 3.94Å; F52-I129 HydrophobicContact CD1-CG1 4.31Å; F52-I129 HydrophobicContact CD1-CG2 4Å; F52-I129 HydrophobicContact CE1-CG2 4.02Å; F52-I129 HydrophobicContact CG-CG2 4.27Å; F52-I129 HydrophobicContact CZ-CG2 4.3Å; F63-I129 HydrophobicContact CD2-CG2 4.44Å; F63-I129 HydrophobicContact CE2-CG2 3.41Å; F63-I129 VanDerWaalsContact CE2-CG2 3.41Å; F63-I129 HydrophobicContact CZ-CG2 3.82Å; L65-I129 HydrophobicContact CD1-CG1 4.09Å; V110-I129 HydrophobicContact CG2-CD1 4.46Å; V110-I129 HydrophobicContact CG2-CG1 4.03Å; C127-I129 HydrophobicContact CB-CD1 4.17Å; I129-R137 WeakPolarHBondContact O-CA 3.16Å; I129-G138 PolarHBondContact N-O 3.22Å; I129-G138 PolarHBondContact O-N 2.85Å
130	M	97.2	Very high	96.4	Very high	35 Å²	35	49.9 Å²	49.9	17%	0.172	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	118	169.6	-74.8	-68.5	-73.7	0	0	108.8	F63 S64 R137	F63-M130 WeakPolarHBondContact CA-O 3.44Å; F63-M130 WeakPolarHBondContact CD2-O 3.47Å; S64-M130 PolarHBondContact N-O 2.91Å; S64-M130 PolarHBondContact O-N 2.8Å; S64-M130 WeakPolarHBondContact OG-CB 3.33Å; M130-R137 HydrophobicContact CE-CG 4.42Å; M130-R137 HydrophobicContact CG-CG 4.32Å; M130-R137 HydrophobicContact SD-CB 3.74Å; M130-R137 WeakPolarHBondContact SD-CD 3.04Å; M130-R137 HydrophobicContact SD-CG 3.24Å; M130-R137 WeakPolarHBondContact SD-CG 3.43Å; M130-R137 PolarHBondContact SD-NE 3.07Å
131	N	97.2	Very high	96.5	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.218	C	C	.	.			trans	-123.3	76.3	178.6	-173.5	36.4	0	0	0	111.5	F52 S54 Y56 F63 D134	F52-N131 HydrophobicContact CE2-CB 4.34Å; S54-N131 PolarHBondContact OG-ND2 2.53Å; Y56-N131 PolarHBondContact O-ND2 3.39Å; Y56-N131 VanDerWaalsContact O-ND2 3.09Å; F63-N131 HydrophobicContact CD2-CB 4.05Å; F63-N131 HydrophobicContact CE2-CB 4.4Å; N131-D134 WeakPolarHBondContact O-CB 3.22Å; N131-D134 PolarHBondContact O-N 3.15Å
132	P	95.9	Very high	96.6	Very high	39 Å²	39	47.9 Å²	47.9	25%	0.253	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	138.5	175.9	-26.2	36.2	0	0	0	111.5	Q62	Q62-P132 HydrophobicContact CB-CB 4.19Å; Q62-P132 HydrophobicContact CB-CG 4.09Å; Q62-P132 WeakPolarHBondContact O-CD 3.38Å
133	P	95.1	Very high	96.6	Very high	79 Å²	79	46.8 Å²	46.8	51%	0.513	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	cis	-86.9	11.3	13.8	36.1	-37.7	0	0	0	115.6	Y56 R135	Y56-P133 HydrophobicContact CD1-CG 3.59Å; Y56-P133 HydrophobicContact CD2-CG 3.76Å; Y56-P133 HydrophobicContact CE1-CG 3.6Å; Y56-P133 HydrophobicContact CE2-CG 3.78Å; Y56-P133 HydrophobicContact CG-CG 3.67Å; P133-R135 PolarHBondContact O-N 3.27Å
134	D	93.7	Very high	96.7	Very high	35 Å²	35	46.6 Å²	46.6	19%	0.187	21%	0.21	C	C	.	.			trans	-56.3	128	169.5	-70.8	-40.3	0	0	0	110.1	S54 Y56 N131	S54-D134 WeakPolarHBondContact CB-OD2 3.3Å; S54-D134 PolarHBondContact OG-OD2 3.34Å; Y56-D134 WeakPolarHBondContact CD2-OD1 3.38Å; Y56-D134 VanDerWaalsContact CE2-OD1 3.27Å; Y56-D134 WeakPolarHBondContact CE2-OD1 3.36Å; N131-D134 WeakPolarHBondContact O-CB 3.22Å; N131-D134 PolarHBondContact O-N 3.15Å
135	R	89.2	Confident	96.6	Very high	231 Å²	231	49.6 Å²	49.6	87%	0.872	22%	0.224	S	C	*	.			trans	-82.4	-26.7	-178.8	-65.2	-174	177.8	-176.4	-0.6	112.5	P133	P133-R135 PolarHBondContact O-N 3.27Å
136	H	91.2	Very high	96.6	Very high	85 Å²	85	50.5 Å²	50.5	39%	0.394	23%	0.229	S	C	.	.	S	Bend	trans	-96.6	139.1	-174.6	-54	103.4	0	0	0	110.4	R28	R28-H136 PolarHBondContact O-CE1 2.75Å; R28-H136 VanDerWaalsContact O-CG 3.26Å; R28-H136 PolarHBondContact O-ND1 3.1Å
137	R	94.1	Very high	96.5	Very high	158 Å²	158	52.2 Å²	52.2	60%	0.596	24%	0.238	S	C	*	.	P	Polyproline II helix	trans	-75.2	139.6	173.3	-46.8	-133.2	167.2	-170.8	-2.8	109	S29 I129 M130	S29-R137 PolarHBondContact OG-O 2.9Å; I129-R137 WeakPolarHBondContact O-CA 3.16Å; M130-R137 HydrophobicContact CE-CG 4.42Å; M130-R137 HydrophobicContact CG-CG 4.32Å; M130-R137 HydrophobicContact SD-CB 3.74Å; M130-R137 WeakPolarHBondContact SD-CD 3.04Å; M130-R137 HydrophobicContact SD-CG 3.24Å; M130-R137 WeakPolarHBondContact SD-CG 3.43Å; M130-R137 PolarHBondContact SD-NE 3.07Å
138	G	96.9	Very high	96.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	140.2	163.4	0	0	0	0	0	109.9	Y128 I129	Y128-G138 CarbonylContact C-O 3.48Å; Y128-G138 WeakPolarHBondContact CA-O 3.46Å; I129-G138 PolarHBondContact N-O 3.22Å; I129-G138 PolarHBondContact O-N 2.85Å
139	H	97.9	Very high	95.9	Very high	94 Å²	94	64.1 Å²	64.1	44%	0.435	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	120.2	172.5	177.9	-150.8	0	0	0	109.6	N126 C127 Y128	N126-H139 PolarHBondContact OD1-NE2 3.28Å; C127-H139 WeakPolarHBondContact O-CA 3.15Å; Y128-H139 HydrophobicContact CD1-CB 4.14Å; Y128-H139 AromaticContact CD1-CD2 3.75Å; Y128-H139 AromaticContact CD1-CG 4Å; Y128-H139 HydrophobicContact CE1-CB 4.16Å; Y128-H139 AromaticContact CE1-CD2 3.27Å; Y128-H139 WeakPolarHBondContact CE1-CD2 3.44Å; Y128-H139 AromaticContact CE1-CG 3.56Å; Y128-H139 AromaticContact CE1-NE2 3.59Å; Y128-H139 AromaticContact CZ-CD2 3.62Å; Y128-H139 AromaticContact CZ-NE2 3.55Å; Y128-H139 PolarHBondContact OH-NE2 3.35Å
140	G	97.9	Very high	95.2	Very high	2 Å²	2	71.5 Å²	71.5	2%	0.021	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	139.7	167.8	0	0	0	0	0	110.2	N126 C127	N126-G140 CarbonylContact C-O 2.97Å; N126-G140 VanDerWaalsContact CA-O 3.25Å; N126-G140 WeakPolarHBondContact CA-O 3.4Å; C127-G140 PolarHBondContact N-O 3.32Å; C127-G140 PolarHBondContact O-N 3.41Å
141	K	98.1	Very high	94.2	Very high	93 Å²	93	73.4 Å²	73.4	40%	0.404	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.3	177.8	-179.9	177.7	173.8	168.8	0	109.2	N73 I124	N73-K141 PolarHBondContact OD1-NZ 3Å; N73-K141 VanDerWaalsContact OD1-NZ 3.11Å; I124-K141 HydrophobicContact CG2-CD 4.12Å; I124-K141 HydrophobicContact CG2-CG 3.72Å
142	I	98.6	Very high	93.1	Very high	0 Å²	0	79.3 Å²	79.3	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.4	178.2	-58.6	169.5	0	0	0	108.4	V34 P35 L38 L48 P49 W67 I124 Y125	V34-I142 HydrophobicContact CB-CD1 4.22Å; V34-I142 HydrophobicContact CB-CG1 3.78Å; V34-I142 HydrophobicContact CG1-CD1 4.17Å; V34-I142 HydrophobicContact CG1-CG1 4.1Å; V34-I142 HydrophobicContact CG2-CG1 4.33Å; P35-I142 HydrophobicContact CG-CG2 4.46Å; L38-I142 HydrophobicContact CB-CG2 3.9Å; L48-I142 HydrophobicContact CB-CD1 4.18Å; P49-I142 WeakPolarHBondContact O-CD1 3.4Å; W67-I142 HydrophobicContact CH2-CD1 3.93Å; W67-I142 HydrophobicContact CZ3-CD1 4.29Å; I124-I142 CarbonylContact C-O 3.55Å; I124-I142 WeakPolarHBondContact CA-O 3.07Å; Y125-I142 PolarHBondContact N-O 3.02Å; Y125-I142 PolarHBondContact O-N 2.97Å
143	H	98.4	Very high	91.9	Very high	63 Å²	63	85.8 Å²	85.8	29%	0.292	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	105.4	166.6	-174.3	-141.9	0	0	0	109.2	A36 T37 L38	A36-H143 WeakPolarHBondContact O-CB 3.24Å; A36-H143 PolarHBondContact O-N 3.07Å; T37-H143 CarbonylContact C-O 3.58Å; T37-H143 VanDerWaalsContact CA-O 3.29Å; T37-H143 WeakPolarHBondContact CA-O 3.41Å; L38-H143 PolarHBondContact N-O 3.31Å
144	L	98.3	Very high	90.4	Very high	0 Å²	0	93.1 Å²	93.1	0%	0	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	123.1	176.3	-178	72.2	0	0	0	108.6	L38 V40 A46 L48 L114 D121 E122 G123 Y125	L38-L144 HydrophobicContact CB-CD1 4.29Å; L38-L144 HydrophobicContact CD2-CD1 3.96Å; L38-L144 HydrophobicContact CG-CD1 4.17Å; L38-L144 WeakPolarHBondContact O-CA 3.46Å; V40-L144 HydrophobicContact CB-CD1 4.17Å; V40-L144 HydrophobicContact CG2-CD1 3.53Å; A46-L144 HydrophobicContact CB-CD1 4.38Å; L48-L144 HydrophobicContact CD2-CD1 4.06Å; L114-L144 HydrophobicContact CD2-CD2 4.33Å; D121-L144 HydrophobicContact CB-CD2 4.36Å; E122-L144 WeakPolarHBondContact CG-O 3.45Å; G123-L144 PolarHBondContact N-O 2.87Å; G123-L144 VanDerWaalsContact N-O 3.16Å; G123-L144 PolarHBondContact O-N 2.85Å; Y125-L144 HydrophobicContact CD2-CB 3.78Å; Y125-L144 HydrophobicContact CD2-CD2 4.41Å; Y125-L144 HydrophobicContact CE2-CB 3.58Å; Y125-L144 HydrophobicContact CE2-CD2 3.57Å; Y125-L144 HydrophobicContact CE2-CG 4.22Å
145	Q	97.7	Very high	88.9	Confident	69 Å²	69	96.1 Å²	96.1	32%	0.322	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	131.6	173.3	-62.8	-169.8	-57.7	0	0	109.5	T37 L38 N39 V40	T37-Q145 HydrophobicContact CG2-CG 3.89Å; T37-Q145 VanDerWaalsContact CG2-OE1 3.28Å; L38-Q145 PolarHBondContact O-N 2.91Å; N39-Q145 WeakPolarHBondContact CA-O 3.3Å; N39-Q145 PolarHBondContact OD1-OE1 3.07Å; N39-Q145 VanDerWaalsContact OD1-OE1 3.12Å; V40-Q145 PolarHBondContact N-O 3.26Å
146	V	97.6	Very high	88	Confident	19 Å²	19	89.3 Å²	89.3	12%	0.115	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	113.2	-179	-175.1	0	0	0	0	108.9	V40 N42 V117 E122	V40-V146 CarbonylContact O-C 3.52Å; V40-V146 WeakPolarHBondContact O-CA 3.27Å; N42-V146 HydrophobicContact CB-CG1 4.01Å; V117-V146 HydrophobicContact CG1-CG1 4.09Å; V117-V146 HydrophobicContact CG1-CG2 3.64Å; E122-V146 HydrophobicContact CB-CG2 4.18Å; E122-V146 PolarHBondContact OE2-N 2.97Å
147	I	96.8	Very high	87.1	Confident	40 Å²	40	89.4 Å²	89.4	21%	0.205	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	145.5	-177.8	53.5	165.3	0	0	0	110.3	N39 V40 L41 N42 P151	N39-I147 HydrophobicContact CB-CD1 4.16Å; N39-I147 HydrophobicContact CB-CG1 4.5Å; N39-I147 HydrophobicContact CB-CG2 4.45Å; V40-I147 VanDerWaalsContact O-CG1 3.31Å; V40-I147 WeakPolarHBondContact O-CG1 3.49Å; V40-I147 PolarHBondContact O-N 2.61Å; L41-I147 WeakPolarHBondContact CA-O 3.28Å; L41-I147 HydrophobicContact CD2-CD1 3.93Å; L41-I147 HydrophobicContact CD2-CG1 3.95Å; L41-I147 HydrophobicContact CG-CD1 4.26Å; L41-I147 HydrophobicContact CG-CG1 4.31Å; N42-I147 PolarHBondContact N-O 3.47Å; I147-P151 HydrophobicContact CD1-CG 4.33Å
148	M	94.6	Very high	86.3	Confident	139 Å²	139	86.2 Å²	86.2	69%	0.685	44%	0.437	S	S	*	.	S	Bend	trans	-89.1	-26.5	179	-59.4	-62.9	-82.4	0	0	112	N42	N42-M148 HydrophobicContact CB-SD 3.9Å
149	E	89.8	Confident	85.3	Confident	166 Å²	166	89.7 Å²	89.7	78%	0.776	47%	0.466	S	S	*	.	S	Bend	trans	-136.2	144.3	-179.7	-66.3	-177.5	170.4	0	0	109.3
150	E	82.3	Confident	84.6	Confident	154 Å²	154	90 Å²	90	72%	0.72	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-70.2	133.2	179.3	-165.7	163.8	-164.6	0	0	109.5	L41	L41-E150 HydrophobicContact CD1-CB 4.34Å; L41-E150 HydrophobicContact CD2-CB 4.25Å
151	P	76.3	Confident	83.8	Confident	76 Å²	76	95 Å²	95	49%	0.494	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-60.2	142.2	176.7	-17.5	30.7	0	0	0	109.2	I147 E153	I147-P151 HydrophobicContact CD1-CG 4.33Å; P151-E153 PolarHBondContact O-N 2.87Å
152	P	74.4	Confident	83.1	Confident	123 Å²	123	94.6 Å²	94.6	80%	0.799	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-56.4	129.3	177.8	23.1	-32.6	0	0	0	109.5	R154	P152-R154 PolarHBondContact O-N 3.28Å; P152-R154 VanDerWaalsContact O-N 3.11Å
153	E	72.2	Confident	82.4	Confident	176 Å²	176	96.9 Å²	96.9	82%	0.822	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-56.4	119.5	177.4	-140.1	-178.8	173.6	0	0	107.8	P151 D155	P151-E153 PolarHBondContact O-N 2.87Å; E153-D155 VanDerWaalsContact C-N 3.28Å; E153-D155 PolarHBondContact O-N 3.26Å
154	R	63.6	Low	81.9	Confident	233 Å²	233	97.1 Å²	97.1	88%	0.879	54%	0.541	S	S	*	.			trans	-75.3	90.4	179.2	-165.5	-168.3	-75.2	-122.2	3.9	107.2	P152 S156	P152-R154 PolarHBondContact O-N 3.28Å; P152-R154 VanDerWaalsContact O-N 3.11Å; R154-S156 PolarHBondContact O-N 3.38Å
155	D	61.9	Low	81.5	Confident	98 Å²	98	100.4 Å²	100.4	52%	0.524	56%	0.564	S	S	.	*			trans	-52.3	98	177.6	-78.3	-33.1	0	0	0	110.9	E153 T157 V158	E153-D155 VanDerWaalsContact C-N 3.28Å; E153-D155 PolarHBondContact O-N 3.26Å; D155-T157 PolarHBondContact O-N 2.86Å; D155-T157 VanDerWaalsContact O-N 3.12Å; D155-V158 HydrophobicContact CB-CG2 3.9Å; D155-V158 WeakPolarHBondContact O-CB 3.39Å; D155-V158 PolarHBondContact O-N 3.43Å
156	S	68.6	Low	81.3	Confident	88 Å²	88	101.1 Å²	101.1	62%	0.615	57%	0.573	S	S	*	*	H	α-helix	trans	-62.2	-19.1	174	-66.6	0	0	0	0	111.2	R154 V158 A159 V160	R154-S156 PolarHBondContact O-N 3.38Å; S156-V158 VanDerWaalsContact C-N 3.25Å; S156-V158 PolarHBondContact O-N 3.16Å; S156-A159 PolarHBondContact O-N 3.12Å; S156-V160 WeakPolarHBondContact O-CG2 3.37Å; S156-V160 PolarHBondContact O-N 2.83Å
157	T	74.2	Confident	81	Confident	87 Å²	87	102.2 Å²	102.2	53%	0.534	59%	0.588	S	S	.	*	H	α-helix	trans	-53.6	-39	168.4	-48.2	0	0	0	0	112.2	D155 V160 I161	D155-T157 PolarHBondContact O-N 2.86Å; D155-T157 VanDerWaalsContact O-N 3.12Å; T157-V160 PolarHBondContact O-N 3.42Å; T157-I161 HydrophobicContact CG2-CD1 3.77Å; T157-I161 HydrophobicContact CG2-CG1 4.39Å; T157-I161 WeakPolarHBondContact O-CB 3.39Å; T157-I161 WeakPolarHBondContact O-CD1 3.25Å; T157-I161 WeakPolarHBondContact O-CG1 3.12Å; T157-I161 PolarHBondContact O-N 2.67Å
158	V	76.2	Confident	80.8	Confident	90 Å²	90	102 Å²	102	55%	0.545	60%	0.596	S	S	.	*	H	α-helix	trans	-65.3	-45.6	178.6	179.9	0	0	0	0	110.6	D155 S156 V160 I161 V162	D155-V158 HydrophobicContact CB-CG2 3.9Å; D155-V158 WeakPolarHBondContact O-CB 3.39Å; D155-V158 PolarHBondContact O-N 3.43Å; S156-V158 VanDerWaalsContact C-N 3.25Å; S156-V158 PolarHBondContact O-N 3.16Å; V158-V160 PolarHBondContact O-N 2.98Å; V158-I161 PolarHBondContact O-N 2.76Å; V158-V162 VanDerWaalsContact O-CG2 3.31Å; V158-V162 WeakPolarHBondContact O-CG2 3.37Å; V158-V162 PolarHBondContact O-N 2.87Å; V158-V162 VanDerWaalsContact O-N 3.08Å
159	A	76.4	Confident	80.9	Confident	73 Å²	73	102.1 Å²	102.1	60%	0.603	59%	0.593	S	S	*	*	H	α-helix	trans	-65.2	-38.7	178.1	0	0	0	0	0	112.2	S156 G163	S156-A159 PolarHBondContact O-N 3.12Å; A159-G163 PolarHBondContact O-N 2.92Å
160	V	81.9	Confident	81.1	Confident	102 Å²	102	98.8 Å²	98.8	62%	0.618	58%	0.58	S	S	*	*	H	α-helix	trans	-66.5	-43.3	177	173.2	0	0	0	0	111.5	S156 T157 V158 G163 A164	S156-V160 WeakPolarHBondContact O-CG2 3.37Å; S156-V160 PolarHBondContact O-N 2.83Å; T157-V160 PolarHBondContact O-N 3.42Å; V158-V160 PolarHBondContact O-N 2.98Å; V160-G163 PolarHBondContact O-N 2.95Å; V160-A164 WeakPolarHBondContact O-CB 3.42Å; V160-A164 PolarHBondContact O-N 2.85Å
161	I	81.6	Confident	81.8	Confident	107 Å²	107	93.7 Å²	93.7	55%	0.549	56%	0.564	S	S	.	*	H	α-helix	trans	-62.6	-44.5	177.9	-69.8	166.3	0	0	0	110.9	T157 V158 A164 S165	T157-I161 HydrophobicContact CG2-CD1 3.77Å; T157-I161 HydrophobicContact CG2-CG1 4.39Å; T157-I161 WeakPolarHBondContact O-CB 3.39Å; T157-I161 WeakPolarHBondContact O-CD1 3.25Å; T157-I161 WeakPolarHBondContact O-CG1 3.12Å; T157-I161 PolarHBondContact O-N 2.67Å; V158-I161 PolarHBondContact O-N 2.76Å; I161-A164 PolarHBondContact O-N 3.15Å; I161-S165 WeakPolarHBondContact O-CB 3.31Å; I161-S165 PolarHBondContact O-N 3.24Å; I161-S165 PolarHBondContact O-OG 2.89Å
162	V	83.4	Confident	82.7	Confident	84 Å²	84	94.2 Å²	94.2	51%	0.509	57%	0.566	S	S	.	*	H	α-helix	trans	-64.6	-42.4	177.1	176.2	0	0	0	0	111	V158 S165 V166	V158-V162 VanDerWaalsContact O-CG2 3.31Å; V158-V162 WeakPolarHBondContact O-CG2 3.37Å; V158-V162 PolarHBondContact O-N 2.87Å; V158-V162 VanDerWaalsContact O-N 3.08Å; V162-S165 PolarHBondContact O-OG 2.89Å; V162-V166 WeakPolarHBondContact O-CG2 3.34Å; V162-V166 PolarHBondContact O-N 3.17Å
163	G	83.8	Confident	83.7	Confident	47 Å²	47	91.7 Å²	91.7	49%	0.485	55%	0.545	S	S	.	.	H	α-helix	trans	-63.7	-43.1	176.4	0	0	0	0	0	113.4	A159 V160 G167	A159-G163 PolarHBondContact O-N 2.92Å; V160-G163 PolarHBondContact O-N 2.95Å; G163-G167 PolarHBondContact O-N 3.21Å
164	A	87.8	Confident	84.8	Confident	68 Å²	68	88 Å²	88	56%	0.562	53%	0.53	S	S	*	.	H	α-helix	trans	-67.3	-40.2	-179	0	0	0	0	0	112.6	V160 I161 G168	V160-A164 WeakPolarHBondContact O-CB 3.42Å; V160-A164 PolarHBondContact O-N 2.85Å; I161-A164 PolarHBondContact O-N 3.15Å; A164-G168 PolarHBondContact O-N 3.11Å
165	S	91.8	Very high	86.4	Confident	69 Å²	69	82.4 Å²	82.4	48%	0.483	52%	0.516	S	S	.	.	H	α-helix	trans	-65.1	-48.6	179.1	52.6	0	0	0	0	112.5	I161 V162 F169	I161-S165 WeakPolarHBondContact O-CB 3.31Å; I161-S165 PolarHBondContact O-N 3.24Å; I161-S165 PolarHBondContact O-OG 2.89Å; V162-S165 PolarHBondContact O-OG 2.89Å; S165-F169 WeakPolarHBondContact O-CB 3.27Å; S165-F169 PolarHBondContact O-N 3.34Å
166	V	93.4	Very high	88	Confident	85 Å²	85	81.7 Å²	81.7	52%	0.515	52%	0.515	S	S	.	.	H	α-helix	trans	-66.5	-45.4	179.3	179.2	0	0	0	0	111.1	V162 F169 L170	V162-V166 WeakPolarHBondContact O-CG2 3.34Å; V162-V166 PolarHBondContact O-N 3.17Å; V166-F169 PolarHBondContact O-N 2.82Å; V166-L170 HydrophobicContact CG1-CD1 4.15Å; V166-L170 WeakPolarHBondContact O-CG 3.33Å; V166-L170 PolarHBondContact O-N 2.78Å; V166-L170 VanDerWaalsContact O-N 3.14Å
167	G	91.3	Very high	89.2	Confident	41 Å²	41	82.7 Å²	82.7	42%	0.423	51%	0.514	S	S	.	.	H	α-helix	trans	-64.3	-43.3	178.7	0	0	0	0	0	112.8	G163 L170 A171	G163-G167 PolarHBondContact O-N 3.21Å; G167-L170 PolarHBondContact O-N 2.95Å; G167-A171 WeakPolarHBondContact O-CB 3.5Å; G167-A171 PolarHBondContact O-N 2.84Å
168	G	92.5	Very high	90.2	Very high	36 Å²	36	84.4 Å²	84.4	37%	0.371	52%	0.517	S	S	.	.	H	α-helix	trans	-63.3	-45.5	177.3	0	0	0	0	0	112.5	A164 L170 A171 V172	A164-G168 PolarHBondContact O-N 3.11Å; G168-L170 PolarHBondContact O-N 3.47Å; G168-A171 PolarHBondContact O-N 2.88Å; G168-V172 WeakPolarHBondContact O-CG2 3.44Å; G168-V172 PolarHBondContact O-N 3.04Å
169	F	94.8	Very high	91.1	Very high	141 Å²	141	84.5 Å²	84.5	62%	0.618	52%	0.517	S	S	*	.	H	α-helix	trans	-61.9	-43.7	178.8	-173.3	-109.6	0	0	0	112.3	S165 V166 A171 V172 I173	S165-F169 WeakPolarHBondContact O-CB 3.27Å; S165-F169 PolarHBondContact O-N 3.34Å; V166-F169 PolarHBondContact O-N 2.82Å; F169-A171 PolarHBondContact O-N 2.82Å; F169-V172 PolarHBondContact O-N 2.82Å; F169-I173 HydrophobicContact CD1-CD1 3.68Å; F169-I173 HydrophobicContact CE1-CD1 3.3Å; F169-I173 HydrophobicContact CE1-CG1 4.37Å; F169-I173 HydrophobicContact CE2-CD1 4.41Å; F169-I173 HydrophobicContact CG-CD1 4.4Å; F169-I173 HydrophobicContact CZ-CD1 3.71Å; F169-I173 HydrophobicContact CZ-CG1 4.43Å; F169-I173 WeakPolarHBondContact O-CG1 3.41Å; F169-I173 PolarHBondContact O-N 3.33Å
170	L	95.9	Very high	91.9	Very high	96 Å²	96	83.8 Å²	83.8	50%	0.503	51%	0.506	S	S	.	.	H	α-helix	trans	-62.6	-42.3	175.5	-71.6	172	0	0	0	112.1	V166 G167 G168 I173 I174	V166-L170 HydrophobicContact CG1-CD1 4.15Å; V166-L170 WeakPolarHBondContact O-CG 3.33Å; V166-L170 PolarHBondContact O-N 2.78Å; V166-L170 VanDerWaalsContact O-N 3.14Å; G167-L170 PolarHBondContact O-N 2.95Å; G168-L170 PolarHBondContact O-N 3.47Å; L170-I173 PolarHBondContact O-N 2.93Å; L170-I174 VanDerWaalsContact O-CG1 3.28Å; L170-I174 WeakPolarHBondContact O-CG1 3.34Å; L170-I174 PolarHBondContact O-N 2.82Å
171	A	95.2	Very high	92.5	Very high	48 Å²	48	85.9 Å²	85.9	40%	0.397	51%	0.506	S	S	.	.	H	α-helix	trans	-62.5	-42.9	177.1	0	0	0	0	0	112.1	G167 G168 F169 I174 L175	G167-A171 WeakPolarHBondContact O-CB 3.5Å; G167-A171 PolarHBondContact O-N 2.84Å; G168-A171 PolarHBondContact O-N 2.88Å; F169-A171 PolarHBondContact O-N 2.82Å; A171-I174 PolarHBondContact O-N 2.9Å; A171-L175 WeakPolarHBondContact O-CG 3.14Å; A171-L175 PolarHBondContact O-N 2.93Å
172	V	96	Very high	92.9	Very high	87 Å²	87	84.6 Å²	84.6	53%	0.527	51%	0.506	S	S	.	.	H	α-helix	trans	-63	-43.8	176.9	172.9	0	0	0	0	111.2	G168 F169 I174 L175 V176	G168-V172 WeakPolarHBondContact O-CG2 3.44Å; G168-V172 PolarHBondContact O-N 3.04Å; F169-V172 PolarHBondContact O-N 2.82Å; V172-I174 VanDerWaalsContact C-N 3.34Å; V172-I174 PolarHBondContact O-N 2.89Å; V172-L175 PolarHBondContact O-N 2.84Å; V172-V176 HydrophobicContact CG1-CG2 4.47Å; V172-V176 WeakPolarHBondContact O-CG2 3.42Å; V172-V176 PolarHBondContact O-N 2.79Å
173	I	95.6	Very high	93.3	Very high	70 Å²	70	85 Å²	85	36%	0.359	51%	0.508	S	S	.	.	H	α-helix	trans	-59.1	-46	176	-71.5	170.4	0	0	0	110.9	F169 L170 L175 V176 L177	F169-I173 HydrophobicContact CD1-CD1 3.68Å; F169-I173 HydrophobicContact CE1-CD1 3.3Å; F169-I173 HydrophobicContact CE1-CG1 4.37Å; F169-I173 HydrophobicContact CE2-CD1 4.41Å; F169-I173 HydrophobicContact CG-CD1 4.4Å; F169-I173 HydrophobicContact CZ-CD1 3.71Å; F169-I173 HydrophobicContact CZ-CG1 4.43Å; F169-I173 WeakPolarHBondContact O-CG1 3.41Å; F169-I173 PolarHBondContact O-N 3.33Å; L170-I173 PolarHBondContact O-N 2.93Å; I173-L175 VanDerWaalsContact C-N 3.33Å; I173-L175 PolarHBondContact O-N 3.3Å; I173-V176 PolarHBondContact O-N 2.82Å; I173-L177 HydrophobicContact CG2-CD1 3.91Å; I173-L177 HydrophobicContact CG2-CG 4.3Å; I173-L177 VanDerWaalsContact O-CG 3.3Å; I173-L177 WeakPolarHBondContact O-CG 3.11Å; I173-L177 PolarHBondContact O-N 2.91Å
174	I	95.9	Very high	93.5	Very high	99 Å²	99	91.1 Å²	91.1	51%	0.508	52%	0.517	S	S	.	.	H	α-helix	trans	-61.8	-42.9	179.3	-67.5	164.6	0	0	0	110.9	L170 A171 V172 L177 M178	L170-I174 VanDerWaalsContact O-CG1 3.28Å; L170-I174 WeakPolarHBondContact O-CG1 3.34Å; L170-I174 PolarHBondContact O-N 2.82Å; A171-I174 PolarHBondContact O-N 2.9Å; V172-I174 VanDerWaalsContact C-N 3.34Å; V172-I174 PolarHBondContact O-N 2.89Å; I174-L177 PolarHBondContact O-N 2.86Å; I174-M178 HydrophobicContact CG2-CG 4.41Å; I174-M178 WeakPolarHBondContact O-CB 3.42Å; I174-M178 VanDerWaalsContact O-CG 3.27Å; I174-M178 WeakPolarHBondContact O-CG 3.44Å; I174-M178 PolarHBondContact O-N 3.1Å
175	L	95.6	Very high	93.4	Very high	114 Å²	114	96.3 Å²	96.3	60%	0.597	52%	0.522	S	S	*	.	H	α-helix	trans	-61.7	-44	176.3	-72.8	171.8	0	0	0	111.8	A171 V172 I173 M178 V179	A171-L175 WeakPolarHBondContact O-CG 3.14Å; A171-L175 PolarHBondContact O-N 2.93Å; V172-L175 PolarHBondContact O-N 2.84Å; I173-L175 VanDerWaalsContact C-N 3.33Å; I173-L175 PolarHBondContact O-N 3.3Å; L175-M178 WeakPolarHBondContact O-CB 3.39Å; L175-M178 PolarHBondContact O-N 3Å; L175-V179 VanDerWaalsContact O-CG2 3.32Å; L175-V179 WeakPolarHBondContact O-CG2 3.46Å; L175-V179 PolarHBondContact O-N 3.28Å
176	V	95.9	Very high	93	Very high	83 Å²	83	100.1 Å²	100.1	50%	0.503	53%	0.53	S	S	.	.	H	α-helix	trans	-61.9	-45.8	176.2	172	0	0	0	0	110.9	V172 I173 M178 V179 V180	V172-V176 HydrophobicContact CG1-CG2 4.47Å; V172-V176 WeakPolarHBondContact O-CG2 3.42Å; V172-V176 PolarHBondContact O-N 2.79Å; I173-V176 PolarHBondContact O-N 2.82Å; V176-M178 VanDerWaalsContact C-N 3.34Å; V176-M178 PolarHBondContact O-N 2.06Å; V176-V179 PolarHBondContact O-N 2.98Å; V176-V180 HydrophobicContact CG1-CG2 4.33Å; V176-V180 WeakPolarHBondContact O-CB 3.45Å; V176-V180 VanDerWaalsContact O-CG2 3.29Å; V176-V180 WeakPolarHBondContact O-CG2 3.38Å; V176-V180 PolarHBondContact O-N 3.09Å
177	L	94.8	Very high	92.4	Very high	110 Å²	110	103.4 Å²	103.4	58%	0.576	54%	0.537	S	S	*	.	H	α-helix	trans	-63	-38.9	178.2	-68.4	175.5	0	0	0	112.4	I173 I174 K181	I173-L177 HydrophobicContact CG2-CD1 3.91Å; I173-L177 HydrophobicContact CG2-CG 4.3Å; I173-L177 VanDerWaalsContact O-CG 3.3Å; I173-L177 WeakPolarHBondContact O-CG 3.11Å; I173-L177 PolarHBondContact O-N 2.91Å; I174-L177 PolarHBondContact O-N 2.86Å; L177-K181 WeakPolarHBondContact O-CB 3.14Å; L177-K181 PolarHBondContact O-N 2.92Å
178	M	94.1	Very high	91.9	Very high	123 Å²	123	107.3 Å²	107.3	61%	0.606	54%	0.544	S	S	*	.	H	α-helix	trans	-61.1	-50.8	173.7	-78.4	-89.1	-179.6	0	0	111.2	I174 L175 V176 V180 K181 C182	I174-M178 HydrophobicContact CG2-CG 4.41Å; I174-M178 WeakPolarHBondContact O-CB 3.42Å; I174-M178 VanDerWaalsContact O-CG 3.27Å; I174-M178 WeakPolarHBondContact O-CG 3.44Å; I174-M178 PolarHBondContact O-N 3.1Å; L175-M178 WeakPolarHBondContact O-CB 3.39Å; L175-M178 PolarHBondContact O-N 3Å; V176-M178 VanDerWaalsContact C-N 3.34Å; V176-M178 PolarHBondContact O-N 2.06Å; M178-V180 PolarHBondContact O-N 2.91Å; M178-K181 PolarHBondContact O-N 3.29Å; M178-C182 WeakPolarHBondContact O-CB 3.36Å; M178-C182 PolarHBondContact O-N 3.49Å; M178-C182 PolarHBondContact O-SG 2.96Å; M178-C182 VanDerWaalsContact O-SG 3.36Å
179	V	95.1	Very high	91	Very high	91 Å²	91	111.9 Å²	111.9	55%	0.552	56%	0.556	S	S	*	*	H	α-helix	trans	-60.8	-46.6	178.8	172.5	0	0	0	0	111	L175 V176 K181 C182 V183	L175-V179 VanDerWaalsContact O-CG2 3.32Å; L175-V179 WeakPolarHBondContact O-CG2 3.46Å; L175-V179 PolarHBondContact O-N 3.28Å; V176-V179 PolarHBondContact O-N 2.98Å; V179-K181 VanDerWaalsContact C-N 3.35Å; V179-K181 PolarHBondContact O-N 3.11Å; V179-C182 PolarHBondContact O-N 2.05Å; V179-V183 HydrophobicContact CG1-CG2 4.33Å; V179-V183 WeakPolarHBondContact O-CG2 3.27Å; V179-V183 PolarHBondContact O-N 3.26Å
180	V	94.3	Very high	89.9	Confident	59 Å²	59	112 Å²	112	36%	0.358	56%	0.556	S	S	.	*	H	α-helix	trans	-60.9	-43.3	177.7	171.9	0	0	0	0	111	V176 M178 V183 R184	V176-V180 HydrophobicContact CG1-CG2 4.33Å; V176-V180 WeakPolarHBondContact O-CB 3.45Å; V176-V180 VanDerWaalsContact O-CG2 3.29Å; V176-V180 WeakPolarHBondContact O-CG2 3.38Å; V176-V180 PolarHBondContact O-N 3.09Å; M178-V180 PolarHBondContact O-N 2.91Å; V180-V183 PolarHBondContact O-N 3.19Å; V180-R184 HydrophobicContact CG1-CG 4.35Å; V180-R184 WeakPolarHBondContact O-CB 3.39Å; V180-R184 VanDerWaalsContact O-CG 3.3Å; V180-R184 WeakPolarHBondContact O-CG 3.46Å; V180-R184 PolarHBondContact O-N 2.94Å
181	K	92.9	Very high	88.9	Confident	145 Å²	145	112.1 Å²	112.1	63%	0.63	56%	0.557	S	S	*	*	H	α-helix	trans	-61.9	-43.4	174.6	-97.8	-167.7	163.1	113	0	112.1	L177 M178 V179 R184 R185	L177-K181 WeakPolarHBondContact O-CB 3.14Å; L177-K181 PolarHBondContact O-N 2.92Å; M178-K181 PolarHBondContact O-N 3.29Å; V179-K181 VanDerWaalsContact C-N 3.35Å; V179-K181 PolarHBondContact O-N 3.11Å; K181-R184 PolarHBondContact O-N 2.52Å; K181-R185 WeakPolarHBondContact O-CB 3.45Å; K181-R185 WeakPolarHBondContact O-CG 3.14Å; K181-R185 PolarHBondContact O-N 3.05Å
182	C	89.9	Confident	87.3	Confident	81 Å²	81	113.4 Å²	113.4	55%	0.547	56%	0.563	S	S	.	*	H	α-helix	trans	-62.6	-43.8	177.3	-74.9	0	0	0	0	112.1	M178 V179 K186	M178-C182 WeakPolarHBondContact O-CB 3.36Å; M178-C182 PolarHBondContact O-N 3.49Å; M178-C182 PolarHBondContact O-SG 2.96Å; M178-C182 VanDerWaalsContact O-SG 3.36Å; V179-C182 PolarHBondContact O-N 2.05Å; C182-K186 PolarHBondContact O-N 2.85Å
183	V	92.1	Very high	86	Confident	92 Å²	92	112.7 Å²	112.7	56%	0.558	56%	0.559	S	S	*	*	H	α-helix	trans	-67.1	-44.6	177.7	173.9	0	0	0	0	111.1	V179 V180 K186 K187	V179-V183 HydrophobicContact CG1-CG2 4.33Å; V179-V183 WeakPolarHBondContact O-CG2 3.27Å; V179-V183 PolarHBondContact O-N 3.26Å; V180-V183 PolarHBondContact O-N 3.19Å; V183-K186 PolarHBondContact O-N 3.23Å; V183-K187 WeakPolarHBondContact O-CB 3.17Å; V183-K187 PolarHBondContact O-N 3.4Å
184	R	88.6	Confident	84.6	Confident	175 Å²	175	113.5 Å²	113.5	66%	0.66	56%	0.564	S	S	*	*	H	α-helix	trans	-58.8	-49.7	175	-73.9	-178.9	-176.7	-166.9	1.9	110.8	V180 K181 K186 K187 E188	V180-R184 HydrophobicContact CG1-CG 4.35Å; V180-R184 WeakPolarHBondContact O-CB 3.39Å; V180-R184 VanDerWaalsContact O-CG 3.3Å; V180-R184 WeakPolarHBondContact O-CG 3.46Å; V180-R184 PolarHBondContact O-N 2.94Å; K181-R184 PolarHBondContact O-N 2.52Å; R184-K186 VanDerWaalsContact C-N 3.34Å; R184-K186 PolarHBondContact O-N 2.88Å; R184-K187 WeakPolarHBondContact O-CA 3.46Å; R184-K187 WeakPolarHBondContact O-CB 3.2Å; R184-K187 PolarHBondContact O-N 2.66Å; R184-E188 WeakPolarHBondContact O-CG 3.39Å; R184-E188 PolarHBondContact O-N 2.98Å
185	R	85.5	Confident	83	Confident	178 Å²	178	113.3 Å²	113.3	67%	0.672	56%	0.564	S	S	*	*	H	α-helix	trans	-57.6	-42.3	175.8	-77.4	-178.9	171.4	-174.8	-3	113	K181 K187 E188 Q189	K181-R185 WeakPolarHBondContact O-CB 3.45Å; K181-R185 WeakPolarHBondContact O-CG 3.14Å; K181-R185 PolarHBondContact O-N 3.05Å; R185-K187 VanDerWaalsContact C-N 3.32Å; R185-K187 PolarHBondContact O-N 3.3Å; R185-E188 PolarHBondContact O-N 2.94Å; R185-Q189 WeakPolarHBondContact O-CG 3.27Å; R185-Q189 PolarHBondContact O-N 3.03Å
186	K	83.4	Confident	81.5	Confident	148 Å²	148	113.7 Å²	113.7	64%	0.643	57%	0.566	S	S	*	*	H	α-helix	trans	-64.1	-36.6	174.3	-96.9	-160.2	174.8	-170.9	0	112.5	C182 V183 R184 K190	C182-K186 PolarHBondContact O-N 2.85Å; V183-K186 PolarHBondContact O-N 3.23Å; R184-K186 VanDerWaalsContact C-N 3.34Å; R184-K186 PolarHBondContact O-N 2.88Å; K186-K190 WeakPolarHBondContact O-CG 3.32Å; K186-K190 PolarHBondContact O-N 2.81Å
187	K	81.6	Confident	79.7	Confident	154 Å²	154	116 Å²	116	67%	0.67	57%	0.569	S	S	*	*	H	α-helix	trans	-68	-44.7	177.6	-167.5	178.8	179	-175.6	0	111.1	V183 R184 R185 Q189 K190 L191	V183-K187 WeakPolarHBondContact O-CB 3.17Å; V183-K187 PolarHBondContact O-N 3.4Å; R184-K187 WeakPolarHBondContact O-CA 3.46Å; R184-K187 WeakPolarHBondContact O-CB 3.2Å; R184-K187 PolarHBondContact O-N 2.66Å; R185-K187 VanDerWaalsContact C-N 3.32Å; R185-K187 PolarHBondContact O-N 3.3Å; K187-Q189 PolarHBondContact O-N 2.95Å; K187-K190 PolarHBondContact O-N 2.88Å; K187-L191 PolarHBondContact O-N 2.89Å
188	E	79.3	Confident	78	Confident	123 Å²	123	115.6 Å²	115.6	58%	0.575	57%	0.571	S	S	*	*	H	α-helix	trans	-59.6	-44	173.8	-60.6	-56.9	129.7	0	0	111.4	R184 R185 K190 L191 S192	R184-E188 WeakPolarHBondContact O-CG 3.39Å; R184-E188 PolarHBondContact O-N 2.98Å; R185-E188 PolarHBondContact O-N 2.94Å; E188-K190 PolarHBondContact O-N 2.84Å; E188-L191 PolarHBondContact O-N 3.37Å; E188-S192 PolarHBondContact O-N 3.11Å; E188-S192 PolarHBondContact O-OG 3.29Å
189	Q	74.1	Confident	76.3	Confident	132 Å²	132	117 Å²	117	62%	0.617	58%	0.576	S	S	*	*	H	α-helix	trans	-64.8	-36.5	177.2	-78.6	-178.7	-29.5	0	0	113.6	R185 K187 T193	R185-Q189 WeakPolarHBondContact O-CG 3.27Å; R185-Q189 PolarHBondContact O-N 3.03Å; K187-Q189 PolarHBondContact O-N 2.95Å; Q189-T193 WeakPolarHBondContact O-CB 3.24Å; Q189-T193 PolarHBondContact O-N 2.97Å; Q189-T193 VanDerWaalsContact O-N 3.14Å; Q189-T193 PolarHBondContact O-OG1 2.73Å
190	K	72.6	Confident	74.4	Confident	143 Å²	143	120.2 Å²	120.2	62%	0.622	59%	0.586	S	S	*	*	H	α-helix	trans	-66.2	-43.6	174.7	-81.5	-173.9	172.6	-166.5	0	111.3	K186 K187 E188 S192 T193 D194	K186-K190 WeakPolarHBondContact O-CG 3.32Å; K186-K190 PolarHBondContact O-N 2.81Å; K187-K190 PolarHBondContact O-N 2.88Å; E188-K190 PolarHBondContact O-N 2.84Å; K190-S192 PolarHBondContact O-N 2.89Å; K190-T193 PolarHBondContact O-N 3.48Å; K190-T193 VanDerWaalsContact O-N 3.09Å; K190-D194 WeakPolarHBondContact O-CB 3.16Å; K190-D194 VanDerWaalsContact O-CG 3.27Å; K190-D194 PolarHBondContact O-N 3.45Å
191	L	74.1	Confident	72.5	Confident	100 Å²	100	125 Å²	125	52%	0.524	60%	0.604	S	S	.	*	H	α-helix	trans	-59.7	-47.3	177.6	-163.9	66	0	0	0	111.2	K187 E188 T193 D194 D195	K187-L191 PolarHBondContact O-N 2.89Å; E188-L191 PolarHBondContact O-N 3.37Å; L191-T193 VanDerWaalsContact C-N 3.27Å; L191-T193 PolarHBondContact O-N 3.29Å; L191-D194 PolarHBondContact O-N 3.22Å; L191-D195 VanDerWaalsContact O-CG 3.22Å; L191-D195 PolarHBondContact O-N 3.07Å
192	S	61.8	Low	70.6	Confident	75 Å²	75	121.3 Å²	121.3	52%	0.524	61%	0.607	S	S	.	*	H	α-helix	trans	-66.8	-20.5	175.4	-58	0	0	0	0	115.1	E188 K190	E188-S192 PolarHBondContact O-N 3.11Å; E188-S192 PolarHBondContact O-OG 3.29Å; K190-S192 PolarHBondContact O-N 2.89Å
193	T	68.1	Low	68.8	Low	72 Å²	72	126.2 Å²	126.2	44%	0.442	62%	0.62	S	S	.	*	H	α-helix	trans	-86.7	-33.9	176.3	-54.6	0	0	0	0	111.6	Q189 K190 L191 K197	Q189-T193 WeakPolarHBondContact O-CB 3.24Å; Q189-T193 PolarHBondContact O-N 2.97Å; Q189-T193 VanDerWaalsContact O-N 3.14Å; Q189-T193 PolarHBondContact O-OG1 2.73Å; K190-T193 PolarHBondContact O-N 3.48Å; K190-T193 VanDerWaalsContact O-N 3.09Å; L191-T193 VanDerWaalsContact C-N 3.27Å; L191-T193 PolarHBondContact O-N 3.29Å; T193-K197 PolarHBondContact O-N 2.97Å
194	D	67.1	Low	66.9	Low	87 Å²	87	126.9 Å²	126.9	47%	0.465	62%	0.624	S	S	.	*	H	α-helix	trans	-75.7	-35.2	178.4	-65.4	-25.4	0	0	0	110.9	K190 L191 L196 K197 T198	K190-D194 WeakPolarHBondContact O-CB 3.16Å; K190-D194 VanDerWaalsContact O-CG 3.27Å; K190-D194 PolarHBondContact O-N 3.45Å; L191-D194 PolarHBondContact O-N 3.22Å; D194-L196 PolarHBondContact O-N 3.34Å; D194-K197 PolarHBondContact O-N 2.83Å; D194-T198 PolarHBondContact O-N 2.88Å; D194-T198 PolarHBondContact O-OG1 2.95Å
195	D	62.1	Low	65.1	Low	94 Å²	94	126.4 Å²	126.4	50%	0.503	63%	0.634	S	S	.	*	H	α-helix	trans	-62.4	-41.5	172.6	-67.2	-28.9	0	0	0	111.6	L191 K197 T198 E199	L191-D195 VanDerWaalsContact O-CG 3.22Å; L191-D195 PolarHBondContact O-N 3.07Å; D195-K197 VanDerWaalsContact C-N 3.35Å; D195-K197 PolarHBondContact O-N 2.91Å; D195-T198 PolarHBondContact O-N 3.08Å; D195-E199 PolarHBondContact O-N 3.06Å
196	L	63.4	Low	63.4	Low	122 Å²	122	121.9 Å²	121.9	64%	0.639	64%	0.643	S	S	*	*	H	α-helix	trans	-67	-30.9	177.5	-116.5	82.2	0	0	0	113.6	D194 E200	D194-L196 PolarHBondContact O-N 3.34Å; L196-E200 PolarHBondContact O-N 2.73Å
197	K	58.6	Low	61.5	Low	131 Å²	131	124.7 Å²	124.7	57%	0.57	66%	0.659	S	S	*	*	H	α-helix	trans	-75.7	-31.6	177.1	-77.8	177.8	177	176.9	0	112.6	T193 D194 D195 E199 E200 E201	T193-K197 PolarHBondContact O-N 2.97Å; D194-K197 PolarHBondContact O-N 2.83Å; D195-K197 VanDerWaalsContact C-N 3.35Å; D195-K197 PolarHBondContact O-N 2.91Å; K197-E199 VanDerWaalsContact C-N 3.32Å; K197-E200 PolarHBondContact O-N 2.74Å; K197-E201 PolarHBondContact O-N 3.05Å
198	T	59.2	Low	59.6	Low	102 Å²	102	121.2 Å²	121.2	63%	0.626	67%	0.666	S	S	*	*	H	α-helix	trans	-73.7	-27.1	179.6	-42.4	0	0	0	0	111.4	D194 D195	D194-T198 PolarHBondContact O-N 2.88Å; D194-T198 PolarHBondContact O-OG1 2.95Å; D195-T198 PolarHBondContact O-N 3.08Å
199	E	58	Low	57.8	Low	152 Å²	152	121.7 Å²	121.7	71%	0.71	67%	0.673	S	S	*	*	H	α-helix	trans	-74.7	-32.3	171.4	-84.9	-174.7	141.5	0	0	113.8	D195 K197	D195-E199 PolarHBondContact O-N 3.06Å; K197-E199 VanDerWaalsContact C-N 3.32Å
200	E	56.4	Low	56.7	Low	159 Å²	159	120.9 Å²	120.9	74%	0.743	68%	0.679	S	S	*	*	H	α-helix	trans	-74.7	-39	177.9	-70.1	-99	146	0	0	112.2	L196 K197 G202	L196-E200 PolarHBondContact O-N 2.73Å; K197-E200 PolarHBondContact O-N 2.74Å; E200-G202 VanDerWaalsContact C-N 3.31Å; E200-G202 PolarHBondContact O-N 3.1Å
201	E	53.5	Low	55.6	Low	160 Å²	160	120.7 Å²	120.7	75%	0.748	69%	0.685	S	S	*	*	H	α-helix	trans	-72.8	-20.1	177.7	-73.8	-168.8	156.3	0	0	113.5	K197 K203	K197-E201 PolarHBondContact O-N 3.05Å; E201-K203 VanDerWaalsContact C-N 3.31Å; E201-K203 PolarHBondContact O-N 3.09Å
202	G	52.8	Low	54.2	Low	68 Å²	68	124 Å²	124	70%	0.701	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-6	177	0	0	0	0	0	115.5	E200	E200-G202 VanDerWaalsContact C-N 3.31Å; E200-G202 PolarHBondContact O-N 3.1Å
203	K	51.9	Low	53.2	Low	184 Å²	184	123.5 Å²	123.5	80%	0.8	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	-11.2	-172.5	-158.5	71.2	175.8	-176.6	0	114.4	E201	E201-K203 VanDerWaalsContact C-N 3.31Å; E201-K203 PolarHBondContact O-N 3.09Å
204	T	53.4	Low	52.3	Low	106 Å²	106	125.1 Å²	125.1	65%	0.65	73%	0.73	S	S	*	*	S	Bend	trans	-121.8	63.4	-175.6	51.1	0	0	0	0	111.6
205	D	50.2	Low	51	Low	164 Å²	164	134.3 Å²	134.3	88%	0.877	77%	0.766	S	S	*	*	S	Bend	trans	-156.9	109.7	160.2	-84.6	-38.4	0	0	0	110.4
206	G	50.6	Low	50.5	Low	84 Å²	84	136.3 Å²	136.3	87%	0.866	78%	0.779	S	S	*	*			trans	115.2	61.3	149.6	0	0	0	0	0	118.5
207	E	42.6	Very low	49.8	Very low	207 Å²	207	137.1 Å²	137.1	97%	0.967	79%	0.787	S	S	*	*			trans	-108.4	98	145.7	-168.4	150.8	144.7	0	0	108.7
208	G	42.1	Very low	49.3	Very low	80 Å²	80	137.4 Å²	137.4	83%	0.825	80%	0.799	S	S	*	*			trans	-120.3	109	173	0	0	0	0	0	109.8
209	N	41.9	Very low	48.8	Very low	134 Å²	134	139.5 Å²	139.5	72%	0.717	81%	0.809	S	S	*	*			trans	-89.2	148.4	162.5	-163.3	40	0	0	0	107.6
210	P	51.6	Low	48.2	Very low	114 Å²	114	138.7 Å²	138.7	74%	0.74	82%	0.815	S	S	*	*				-150.2	170.7	69.9	33.8	-9.7	0	0	0	117.8
211	D	47.5	Very low	47.6	Very low	140 Å²	140	137.3 Å²	137.3	75%	0.749	82%	0.82	S	S	*	*			trans	-24.2	144.8	159	-73.5	-55	0	0	0	117.3
212	D	45.4	Very low	47.2	Very low	168 Å²	168	135.7 Å²	135.7	90%	0.898	83%	0.825	S	S	*	*				-171.9	152	108.9	-134.4	-20.4	0	0	0	114.1
213	G	41.6	Very low	46.8	Very low	65 Å²	65	140.9 Å²	140.9	67%	0.67	84%	0.835	S	S	*	*			trans	101.4	92.4	139.9	0	0	0	0	0	119.7
214	A	47.6	Very low	46.3	Very low	106 Å²	106	137.3 Å²	137.3	88%	0.876	84%	0.838	S	S	*	*			trans	-56.4	142.2	160.8	0	0	0	0	0	114.1
215	K	41.8	Very low	45.7	Very low	280 Å²	280	140.2 Å²	140.2	100%	1.217	86%	0.855	S	S	*	*				-159.2	0	126.7	-143.7	173.7	-172.2	174.5	0	112

Retrieved 215 of 215 residues in 145.7 ms (Link to these results)

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