A0A087X7H7_POEFO Loading...

Thymidine kinase

AlphaFold DB , UniProt , Accession A0A087X7H7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 234 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.6	Very low	43.9	Very low	230 Å²	230	110.4 Å²	110.4	100%	1.133	59%	0.594	S	S	*	*				0	87.6	0	-70.5	-173.4	-179.6	0	0	110.2
2	D	30.9	Very low	44.5	Very low	113 Å²	113	113 Å²	113	60%	0.604	59%	0.589	S	S	*	*			cis	-150.7	117.6	-38.9	-80	-37.6	0	0	0	103.9	L4	D2-L4 PolarHBondContact O-N 3.15Å; D2-L4 VanDerWaalsContact O-N 3.11Å
3	F	36.6	Very low	45.2	Very low	205 Å²	205	113.8 Å²	113.8	90%	0.899	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	6.7	177.4	-98.7	-89.5	0	0	0	112.7
4	L	39	Very low	45.6	Very low	160 Å²	160	120 Å²	120	84%	0.838	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	-9.3	-171.8	-69.1	170.6	0	0	0	114.3	D2	D2-L4 PolarHBondContact O-N 3.15Å; D2-L4 VanDerWaalsContact O-N 3.11Å
5	D	39.5	Very low	46	Very low	148 Å²	148	122.8 Å²	122.8	79%	0.791	64%	0.635	S	S	*	*	S	Bend	trans	-108.5	11.1	-177.6	-89	-21.1	0	0	0	114.6
6	S	43.8	Very low	46.6	Very low	68 Å²	68	117.5 Å²	117.5	48%	0.476	61%	0.612	S	S	.	*			trans	-75.6	134.5	174.5	-159.8	0	0	0	0	110	V8	S6-V8 PolarHBondContact O-N 3.22Å; S6-V8 WeakPolarHBondContact OG-CG2 3.32Å
7	P	48.8	Very low	47	Very low	78 Å²	78	117.2 Å²	117.2	51%	0.506	62%	0.619	S	S	.	*	S	Bend	trans	-63.5	2.2	174.1	26.7	-34.6	0	0	0	113.7
8	V	53.4	Low	47.4	Very low	45 Å²	45	120.8 Å²	120.8	27%	0.273	63%	0.628	S	S	.	*	S	Bend	trans	-83.1	133.2	179.4	-175.8	0	0	0	0	109.8	S6	S6-V8 PolarHBondContact O-N 3.22Å; S6-V8 WeakPolarHBondContact OG-CG2 3.32Å
9	C	56.8	Low	47.9	Very low	22 Å²	22	124 Å²	124	15%	0.149	64%	0.637	C	S	.	*			trans	-38.8	118.8	173.5	-79.3	0	0	0	0	114.7	I11 C96	C9-I11 PolarHBondContact O-N 3.5Å; C9-I11 VanDerWaalsContact O-N 3.08Å; C9-C96 WeakPolarHBondContact CA-SG 3.37Å; C9-C96 HydrophobicContact CB-CB 4.12Å; C9-C96 WeakPolarHBondContact CB-SG 3.34Å; C9-C96 WeakPolarHBondContact SG-CA 3.4Å; C9-C96 WeakPolarHBondContact SG-CB 3.24Å; C9-C96 CovalentContact SG-SG 2.02Å; C9-C96 PolarHBondContact SG-SG 2.64Å
10	P	48.3	Very low	48.5	Very low	91 Å²	91	120.6 Å²	120.6	59%	0.591	62%	0.624	S	S	*	*	S	Bend	trans	-71.7	-6.9	-170.9	25.5	-32.9	0	0	0	114.1	R12	P10-R12 VanDerWaalsContact C-N 3.29Å; P10-R12 PolarHBondContact O-N 3Å; P10-R12 VanDerWaalsContact O-N 3.16Å
11	I	53.1	Low	50.1	Low	54 Å²	54	125.3 Å²	125.3	28%	0.277	63%	0.634	S	S	.	*			trans	-93.2	68.2	177.2	-49.2	-179.7	0	0	0	108.8	C9 L13 Q50	C9-I11 PolarHBondContact O-N 3.5Å; C9-I11 VanDerWaalsContact O-N 3.08Å; I11-L13 PolarHBondContact O-N 2.72Å; I11-Q50 VanDerWaalsContact CD1-C 3.41Å; I11-Q50 HydrophobicContact CD1-CB 3.97Å; I11-Q50 WeakPolarHBondContact CD1-O 3.42Å
12	R	51.5	Low	53	Low	142 Å²	142	115.1 Å²	115.1	54%	0.536	59%	0.588	S	S	.	*			trans	-77	100.1	156.2	-81.3	-170.6	-178.5	-159.7	-2.8	107.3	P10 Q14 S16 K18	P10-R12 VanDerWaalsContact C-N 3.29Å; P10-R12 PolarHBondContact O-N 3Å; P10-R12 VanDerWaalsContact O-N 3.16Å; R12-Q14 PolarHBondContact O-N 3.45Å; R12-S16 WeakPolarHBondContact CA-OG 3.5Å; R12-K18 PolarHBondContact NH2-O 2.86Å
13	L	53	Low	56.2	Low	123 Å²	123	112.2 Å²	112.2	64%	0.644	57%	0.57	S	S	*	*			trans	-56.1	139.7	156	-68.8	169	0	0	0	107.1	I11 N15 S16	I11-L13 PolarHBondContact O-N 2.72Å; L13-N15 PolarHBondContact O-N 3.38Å; L13-S16 WeakPolarHBondContact O-CB 3.4Å; L13-S16 PolarHBondContact O-N 3.13Å; L13-S16 PolarHBondContact O-OG 3.31Å
14	Q	51.1	Low	59.2	Low	201 Å²	201	102.5 Å²	102.5	94%	0.939	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-17.9	-173.4	-72.3	176.6	-8.4	0	0	113.8	R12	R12-Q14 PolarHBondContact O-N 3.45Å
15	N	51.5	Low	62	Low	162 Å²	162	96 Å²	96	87%	0.866	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	16	177.9	-64.4	-21.1	0	0	0	114.6	L13	L13-N15 PolarHBondContact O-N 3.38Å
16	S	55	Low	64.8	Low	38 Å²	38	88.9 Å²	88.9	27%	0.266	46%	0.455	S	S	.	.	S	Bend	trans	-78.4	140.6	178	56.4	0	0	0	0	111.8	R12 L13 K18	R12-S16 WeakPolarHBondContact CA-OG 3.5Å; L13-S16 WeakPolarHBondContact O-CB 3.4Å; L13-S16 PolarHBondContact O-N 3.13Å; L13-S16 PolarHBondContact O-OG 3.31Å; S16-K18 PolarHBondContact O-N 2.84Å
17	P	54.3	Low	67.4	Low	113 Å²	113	85.7 Å²	85.7	73%	0.734	43%	0.433	S	S	*	.			trans	-55.7	136	-178.9	18.1	-28.6	0	0	0	111.8	K19	P17-K19 PolarHBondContact O-N 2.75Å
18	K	54.5	Low	69.8	Low	182 Å²	182	82.3 Å²	82.3	79%	0.791	41%	0.41	S	S	*	.	S	Bend	trans	-60.5	-13.7	-165	-71	-177.4	177.1	178.4	0	116.4	R12 S16	R12-K18 PolarHBondContact NH2-O 2.86Å; S16-K18 PolarHBondContact O-N 2.84Å
19	K	55.9	Low	71.9	Confident	181 Å²	181	80.2 Å²	80.2	79%	0.787	40%	0.397	S	S	*	.	S	Bend	trans	-124.5	118.5	173.9	-86.6	-176.4	173	-177.7	0	109.2	P17 R21	P17-K19 PolarHBondContact O-N 2.75Å; K19-R21 PolarHBondContact O-N 2.75Å
20	S	61.3	Low	73.9	Confident	55 Å²	55	79.2 Å²	79.2	39%	0.385	39%	0.391	S	S	.	.			trans	-63.7	117	162.1	54.5	0	0	0	0	107.4
21	R	81	Confident	76.2	Confident	221 Å²	221	75.6 Å²	75.6	83%	0.834	37%	0.366	S	S	*	.			trans	-88.3	109.7	168.2	-61.5	-178.7	71.8	163.3	1.5	105	K19	K19-R21 PolarHBondContact O-N 2.75Å
22	G	94.2	Very high	78.3	Confident	15 Å²	15	76.8 Å²	76.8	16%	0.155	37%	0.369	C	S	.	.			trans	-61	162	167.7	0	0	0	0	0	109.6	A117 K121	G22-A117 WeakPolarHBondContact CA-O 3.31Å; G22-K121 CarbonylContact C-O 3.53Å; G22-K121 WeakPolarHBondContact CA-O 3.4Å
23	Q	97.4	Very high	80.4	Confident	52 Å²	52	70.7 Å²	70.7	24%	0.243	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	155	-178.9	64.5	-178	-47	0	0	110.1	Q25 K121 T122 V123 E148	Q23-Q25 VanDerWaalsContact CD-NE2 3.35Å; Q23-K121 PolarHBondContact N-O 3.14Å; Q23-T122 HydrophobicContact CG-CG2 3.81Å; Q23-T122 PolarHBondContact NE2-OG1 3.46Å; Q23-T122 VanDerWaalsContact NE2-OG1 3.14Å; Q23-V123 PolarHBondContact O-N 2.92Å; Q23-E148 WeakPolarHBondContact CA-OE2 3.44Å; Q23-E148 HydrophobicContact CB-CB 4.48Å; Q23-E148 HydrophobicContact CB-CG 4.32Å; Q23-E148 WeakPolarHBondContact CB-OE2 2.82Å
24	I	98.7	Very high	82.5	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.7	170.9	-55	171	0	0	0	108.2	I26 C113 A117 V123 L146 A147 E148 S149	I24-I26 HydrophobicContact CG2-CG1 4.18Å; I24-C113 HydrophobicContact CD1-CB 3.96Å; I24-C113 HydrophobicContact CG1-CB 4.33Å; I24-A117 HydrophobicContact CD1-CB 4.11Å; I24-A117 HydrophobicContact CG1-CB 3.64Å; I24-V123 CarbonylContact C-O 3.52Å; I24-V123 WeakPolarHBondContact CA-O 3.44Å; I24-L146 HydrophobicContact CD1-CB 4.1Å; I24-A147 HydrophobicContact CB-CB 4.07Å; I24-A147 HydrophobicContact CG2-CB 3.92Å; I24-A147 WeakPolarHBondContact O-CB 3.23Å; I24-E148 PolarHBondContact N-OE2 3.39Å; I24-E148 PolarHBondContact O-N 3.28Å; I24-E148 VanDerWaalsContact O-N 3.1Å; I24-S149 PolarHBondContact O-N 3.09Å
25	Q	98.8	Very high	84.7	Confident	23 Å²	23	57.3 Å²	57.3	11%	0.107	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	128.8	173.3	-57.4	-176.8	13.5	0	0	109.2	Q23 V123 I124 V125 S149	Q23-Q25 VanDerWaalsContact CD-NE2 3.35Å; Q25-V123 PolarHBondContact N-O 2.98Å; Q25-I124 HydrophobicContact CB-CG1 4.4Å; Q25-I124 HydrophobicContact CB-CG2 4.2Å; Q25-I124 CarbonylContact O-C 3.56Å; Q25-I124 WeakPolarHBondContact O-CA 3.5Å; Q25-V125 PolarHBondContact O-N 3.01Å; Q25-S149 CarbonylContact C-O 3.53Å; Q25-S149 WeakPolarHBondContact CA-O 3.46Å
26	I	98.8	Very high	86.8	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.3	-179.7	-44.4	173.9	0	0	0	110.4	I24 F28 V125 L143 V144 A147 S149 V150 V151	I24-I26 HydrophobicContact CG2-CG1 4.18Å; I26-F28 HydrophobicContact CB-CE2 4.28Å; I26-F28 HydrophobicContact CD1-CE2 4.27Å; I26-F28 HydrophobicContact CD1-CZ 4.28Å; I26-F28 HydrophobicContact CG2-CD1 3.87Å; I26-F28 HydrophobicContact CG2-CD2 3.81Å; I26-F28 HydrophobicContact CG2-CE1 3.59Å; I26-F28 HydrophobicContact CG2-CE2 3.52Å; I26-F28 HydrophobicContact CG2-CG 3.98Å; I26-F28 HydrophobicContact CG2-CZ 3.42Å; I26-F28 VanDerWaalsContact CG2-CZ 3.42Å; I26-V125 CarbonylContact C-O 3.59Å; I26-V125 WeakPolarHBondContact CA-O 3.44Å; I26-L143 HydrophobicContact CD1-CB 3.44Å; I26-L143 VanDerWaalsContact CD1-CB 3.44Å; I26-L143 HydrophobicContact CD1-CD1 4.45Å; I26-L143 HydrophobicContact CG1-CB 4.37Å; I26-V144 HydrophobicContact CD1-CG2 4.39Å; I26-A147 HydrophobicContact CD1-CB 3.59Å; I26-A147 HydrophobicContact CG1-CB 3.74Å; I26-S149 PolarHBondContact N-O 3.24Å; I26-V150 HydrophobicContact CB-CG1 4.41Å; I26-V150 HydrophobicContact CB-CG2 4.4Å; I26-V150 HydrophobicContact CD1-CG2 3.98Å; I26-V150 HydrophobicContact CG1-CG2 4.37Å; I26-V151 PolarHBondContact O-N 2.74Å
27	I	98.9	Very high	88.7	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	94.8	175.3	-54.9	156.8	0	0	0	107.5	K35 E38 L39 I124 V125 A126 A127 V151 L153	I27-K35 HydrophobicContact CG2-CB 4.25Å; I27-K35 HydrophobicContact CG2-CG 4.41Å; I27-E38 HydrophobicContact CD1-CB 4.28Å; I27-E38 HydrophobicContact CD1-CG 3.76Å; I27-E38 HydrophobicContact CG1-CG 4.16Å; I27-E38 HydrophobicContact CG2-CB 4.26Å; I27-E38 HydrophobicContact CG2-CG 4.11Å; I27-L39 HydrophobicContact CD1-CB 4.15Å; I27-I124 HydrophobicContact CD1-CG2 3.84Å; I27-V125 PolarHBondContact N-O 2.87Å; I27-A126 WeakPolarHBondContact O-CA 3.43Å; I27-A127 PolarHBondContact O-N 3.25Å; I27-V151 HydrophobicContact CB-CG2 4.28Å; I27-V151 HydrophobicContact CG1-CG2 4.09Å; I27-V151 HydrophobicContact CG2-CG2 4.2Å; I27-L153 HydrophobicContact CG2-CD1 3.55Å; I27-L153 HydrophobicContact CG2-CG 3.84Å
28	F	98.8	Very high	90.8	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.035	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	170.9	173.4	-70.6	-51.1	0	0	0	112.6	I26 A127 D129 I140 L141 V144 V150 V151 K152 L153	I26-F28 HydrophobicContact CB-CE2 4.28Å; I26-F28 HydrophobicContact CD1-CE2 4.27Å; I26-F28 HydrophobicContact CD1-CZ 4.28Å; I26-F28 HydrophobicContact CG2-CD1 3.87Å; I26-F28 HydrophobicContact CG2-CD2 3.81Å; I26-F28 HydrophobicContact CG2-CE1 3.59Å; I26-F28 HydrophobicContact CG2-CE2 3.52Å; I26-F28 HydrophobicContact CG2-CG 3.98Å; I26-F28 HydrophobicContact CG2-CZ 3.42Å; I26-F28 VanDerWaalsContact CG2-CZ 3.42Å; F28-A127 WeakPolarHBondContact CA-O 3.2Å; F28-A127 HydrophobicContact CD1-CB 4.34Å; F28-A127 HydrophobicContact CE1-CB 4.25Å; F28-D129 HydrophobicContact CB-CB 4Å; F28-D129 HydrophobicContact CD1-CB 3.72Å; F28-D129 HydrophobicContact CD2-CB 4.42Å; F28-D129 HydrophobicContact CE1-CB 4.25Å; F28-D129 HydrophobicContact CG-CB 3.81Å; F28-I140 HydrophobicContact CE1-CG1 3.92Å; F28-I140 HydrophobicContact CE1-CG2 4.11Å; F28-L141 HydrophobicContact CE1-CD2 4.38Å; F28-L141 HydrophobicContact CE2-CD2 4.36Å; F28-L141 HydrophobicContact CZ-CD2 3.95Å; F28-V144 HydrophobicContact CE2-CG2 3.71Å; F28-V144 HydrophobicContact CZ-CG2 4.14Å; F28-V150 HydrophobicContact CD2-CG1 3.71Å; F28-V150 HydrophobicContact CE2-CG1 3.8Å; F28-V151 PolarHBondContact N-O 3.41Å; F28-K152 HydrophobicContact CB-CB 4.21Å; F28-K152 HydrophobicContact CB-CG 4.19Å; F28-L153 PolarHBondContact O-N 3.46Å
29	G	98.2	Very high	92.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.216	C	C	.	.			trans	148.4	167	171.8	0	0	0	0	0	111.6	K35 L128 L153	G29-K35 WeakPolarHBondContact O-CD 3.37Å; G29-K35 PolarHBondContact O-NZ 3.03Å; G29-L128 WeakPolarHBondContact O-CD2 3.48Å; G29-L153 VanDerWaalsContact CA-O 3.28Å; G29-L153 WeakPolarHBondContact CA-O 3.4Å
30	P	98.2	Very high	94.7	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.013	19%	0.187	C	C	.	.			trans	-66.7	179.5	176.2	31.5	-36.1	0	0	0	111.4	S33 K35 L153 A155 A164 Y166	P30-S33 PolarHBondContact O-OG 3.18Å; P30-K35 PolarHBondContact O-NZ 3.16Å; P30-L153 WeakPolarHBondContact CD-O 3.48Å; P30-A155 HydrophobicContact CG-CB 4.04Å; P30-A164 WeakPolarHBondContact CG-O 3.29Å; P30-Y166 VanDerWaalsContact CB-C 3.48Å
31	M	96.4	Very high	96.4	Very high	15 Å²	15	38.4 Å²	38.4	7%	0.074	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	152.4	164.6	-67.1	179.5	66.9	0	0	109.9	S33 R63 L128 T167 G180 Y185	M31-S33 PolarHBondContact O-N 3.2Å; M31-R63 VanDerWaalsContact CE-NH1 3.29Å; M31-L128 HydrophobicContact CG-CD1 4.48Å; M31-L128 HydrophobicContact CG-CD2 4.03Å; M31-T167 HydrophobicContact CB-CG2 4.06Å; M31-T167 HydrophobicContact CG-CG2 3.73Å; M31-T167 PolarHBondContact N-OG1 3.23Å; M31-T167 HydrophobicContact SD-CG2 3.46Å; M31-T167 WeakPolarHBondContact SD-CG2 3.49Å; M31-G180 VanDerWaalsContact CE-O 3.32Å; M31-G180 WeakPolarHBondContact CE-O 3.45Å; M31-Y185 HydrophobicContact CE-CD2 3.75Å; M31-Y185 HydrophobicContact CE-CG 4.05Å; M31-Y185 VanDerWaalsContact SD-CB 3.58Å; M31-Y185 HydrophobicContact SD-CD1 4.08Å; M31-Y185 HydrophobicContact SD-CD2 3.65Å; M31-Y185 HydrophobicContact SD-CE2 4.32Å; M31-Y185 HydrophobicContact SD-CG 3.5Å
32	F	96.3	Very high	97.1	Very high	78 Å²	78	29 Å²	29	34%	0.342	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	67	10.1	178.1	-38.2	-73.1	0	0	0	116.3	G34 A155 M158 A182 Y185 A187	F32-G34 VanDerWaalsContact C-N 3.33Å; F32-A155 HydrophobicContact CB-CB 4.46Å; F32-M158 HydrophobicContact CB-CE 4.14Å; F32-M158 HydrophobicContact CD1-CE 4.07Å; F32-M158 HydrophobicContact CD2-CE 3.38Å; F32-M158 HydrophobicContact CD2-SD 4.44Å; F32-M158 HydrophobicContact CE1-CE 4.35Å; F32-M158 HydrophobicContact CE2-CE 3.71Å; F32-M158 HydrophobicContact CE2-SD 4.42Å; F32-M158 HydrophobicContact CG-CE 3.57Å; F32-M158 HydrophobicContact CZ-CE 4.19Å; F32-A182 HydrophobicContact CE1-CB 4.16Å; F32-A182 HydrophobicContact CZ-CB 4.07Å; F32-Y185 WeakPolarHBondContact CE2-O 3.5Å; F32-A187 HydrophobicContact CB-CB 4.45Å; F32-A187 HydrophobicContact CD2-CB 3.93Å
33	S	97.2	Very high	97.2	Very high	15 Å²	15	28.2 Å²	28.2	11%	0.105	15%	0.147	C	C	.	.	S	Bend	trans	-86.1	2.9	176.4	64	0	0	0	0	114.7	P30 M31 K35 L153	P30-S33 PolarHBondContact O-OG 3.18Å; M31-S33 PolarHBondContact O-N 3.2Å; S33-K35 VanDerWaalsContact OG-CG 3.31Å; S33-K35 WeakPolarHBondContact OG-CG 3.46Å; S33-L153 WeakPolarHBondContact O-CD1 3.31Å
34	G	96.5	Very high	97	Very high	32 Å²	32	31.3 Å²	31.3	33%	0.33	16%	0.156	S	C	.	.			trans	79	23.1	178.9	0	0	0	0	0	115.4	F32 S36 T37 E38	F32-G34 VanDerWaalsContact C-N 3.33Å; G34-S36 PolarHBondContact O-N 3.46Å; G34-T37 WeakPolarHBondContact O-CB 2.86Å; G34-T37 PolarHBondContact O-N 3.11Å; G34-T37 VanDerWaalsContact O-N 3.15Å; G34-E38 PolarHBondContact O-N 3.42Å
35	K	97.8	Very high	96.8	Very high	10 Å²	10	38.6 Å²	38.6	4%	0.043	18%	0.184	C	C	.	.	H	α-helix	trans	-54.1	-52.9	-179.6	-55.4	-173	-64	-60.6	0	113.3	I27 G29 P30 S33 T37 E38 L39 A126 A127 L153	I27-K35 HydrophobicContact CG2-CB 4.25Å; I27-K35 HydrophobicContact CG2-CG 4.41Å; G29-K35 WeakPolarHBondContact O-CD 3.37Å; G29-K35 PolarHBondContact O-NZ 3.03Å; P30-K35 PolarHBondContact O-NZ 3.16Å; S33-K35 VanDerWaalsContact OG-CG 3.31Å; S33-K35 WeakPolarHBondContact OG-CG 3.46Å; K35-T37 VanDerWaalsContact C-N 3.26Å; K35-T37 PolarHBondContact O-N 3.35Å; K35-E38 PolarHBondContact O-N 2.96Å; K35-L39 WeakPolarHBondContact O-CB 3.38Å; K35-L39 PolarHBondContact O-N 3.32Å; K35-A126 HydrophobicContact CB-CB 3.95Å; K35-A127 WeakPolarHBondContact CD-O 3.42Å; K35-A127 WeakPolarHBondContact CE-O 3.31Å; K35-L153 HydrophobicContact CG-CD1 4.43Å
36	S	94.6	Very high	96.5	Very high	34 Å²	34	39.6 Å²	39.6	24%	0.238	19%	0.188	C	C	.	.	H	α-helix	trans	-60.4	-37.2	178	-44.2	0	0	0	0	111.6	G34 L39 M40 D101	G34-S36 PolarHBondContact O-N 3.46Å; S36-L39 WeakPolarHBondContact O-CB 2.76Å; S36-L39 PolarHBondContact O-N 3.01Å; S36-M40 WeakPolarHBondContact O-CB 3.34Å; S36-M40 WeakPolarHBondContact O-CG 3.5Å; S36-M40 PolarHBondContact O-N 2.98Å; S36-D101 WeakPolarHBondContact CB-OD2 3.34Å; S36-D101 VanDerWaalsContact OG-CG 3.24Å; S36-D101 PolarHBondContact OG-OD1 3.08Å; S36-D101 PolarHBondContact OG-OD2 3.27Å
37	T	94.9	Very high	96	Very high	107 Å²	107	42.3 Å²	42.3	66%	0.656	20%	0.2	S	C	*	.	H	α-helix	trans	-64.2	-45.8	174.9	-50.5	0	0	0	0	111.9	G34 K35 M40 R41	G34-T37 WeakPolarHBondContact O-CB 2.86Å; G34-T37 PolarHBondContact O-N 3.11Å; G34-T37 VanDerWaalsContact O-N 3.15Å; K35-T37 VanDerWaalsContact C-N 3.26Å; K35-T37 PolarHBondContact O-N 3.35Å; T37-M40 PolarHBondContact O-N 2.8Å; T37-R41 WeakPolarHBondContact O-CB 3.44Å; T37-R41 PolarHBondContact O-N 2.02Å
38	E	98	Very high	95.5	Very high	37 Å²	37	47.3 Å²	47.3	17%	0.173	23%	0.23	C	C	.	.	H	α-helix	trans	-66.7	-39.8	177.1	176	57.1	-165.9	0	0	111.7	I27 G34 K35 R41 R42 L153	I27-E38 HydrophobicContact CD1-CB 4.28Å; I27-E38 HydrophobicContact CD1-CG 3.76Å; I27-E38 HydrophobicContact CG1-CG 4.16Å; I27-E38 HydrophobicContact CG2-CB 4.26Å; I27-E38 HydrophobicContact CG2-CG 4.11Å; G34-E38 PolarHBondContact O-N 3.42Å; K35-E38 PolarHBondContact O-N 2.96Å; E38-R41 PolarHBondContact O-N 2.85Å; E38-R41 IonicContact OE1-CZ 2.75Å; E38-R41 IonicContact OE1-NE 3.45Å; E38-R41 IonicContact OE1-NH2 3.66Å; E38-R41 PolarHBondContact OE1-NH2 3.45Å; E38-R41 IonicContact OE2-CZ 3.43Å; E38-R41 IonicContact OE2-NE 3.14Å; E38-R41 PolarHBondContact OE2-NE 3.26Å; E38-R41 IonicContact OE2-NH2 2.96Å; E38-R41 PolarHBondContact OE2-NH2 3.23Å; E38-R42 WeakPolarHBondContact O-CG 3.36Å; E38-R42 PolarHBondContact O-N 3.41Å; E38-R42 IonicContact OE1-CZ 2.64Å; E38-R42 IonicContact OE1-NE 3.33Å; E38-R42 PolarHBondContact OE1-NE 3.46Å; E38-R42 IonicContact OE1-NH2 2.79Å; E38-R42 PolarHBondContact OE1-NH2 2.83Å; E38-L153 HydrophobicContact CB-CD1 3.98Å; E38-L153 HydrophobicContact CG-CD1 4.41Å
39	L	97.7	Very high	95	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-54.4	-55.8	172.4	172.1	65.5	0	0	0	110.5	I27 K35 S36 R41 R42 V43 D101 I124 A126	I27-L39 HydrophobicContact CD1-CB 4.15Å; K35-L39 WeakPolarHBondContact O-CB 3.38Å; K35-L39 PolarHBondContact O-N 3.32Å; S36-L39 WeakPolarHBondContact O-CB 2.76Å; S36-L39 PolarHBondContact O-N 3.01Å; L39-R41 VanDerWaalsContact C-N 3.31Å; L39-R41 PolarHBondContact O-N 3.05Å; L39-R42 PolarHBondContact O-N 2.81Å; L39-R42 VanDerWaalsContact O-N 3.12Å; L39-V43 HydrophobicContact CD1-CG2 4.16Å; L39-V43 WeakPolarHBondContact O-CG2 3.13Å; L39-V43 PolarHBondContact O-N 2.8Å; L39-D101 HydrophobicContact CD2-CB 3.71Å; L39-I124 HydrophobicContact CD1-CB 3.72Å; L39-I124 HydrophobicContact CD1-CG2 3.5Å; L39-I124 VanDerWaalsContact CD1-CG2 3.5Å; L39-I124 VanDerWaalsContact CD1-O 3.28Å; L39-I124 WeakPolarHBondContact CD1-O 3.38Å; L39-A126 HydrophobicContact CB-CB 3.98Å; L39-A126 HydrophobicContact CD2-CB 4Å; L39-A126 HydrophobicContact CG-CB 4.47Å
40	M	95.5	Very high	94.5	Very high	36 Å²	36	56.1 Å²	56.1	18%	0.177	28%	0.281	C	S	.	.	H	α-helix	trans	-62.9	-37.8	-179.3	-70.6	-51.7	-63.2	0	0	112.4	S36 T37 R42 V43 R44 V55 M69 M77	S36-M40 WeakPolarHBondContact O-CB 3.34Å; S36-M40 WeakPolarHBondContact O-CG 3.5Å; S36-M40 PolarHBondContact O-N 2.98Å; T37-M40 PolarHBondContact O-N 2.8Å; M40-R42 VanDerWaalsContact C-N 3.34Å; M40-R42 PolarHBondContact O-N 2.88Å; M40-V43 PolarHBondContact O-N 3.25Å; M40-R44 WeakPolarHBondContact O-CB 3.45Å; M40-R44 PolarHBondContact O-N 2.78Å; M40-V55 HydrophobicContact CE-CG2 4.26Å; M40-V55 HydrophobicContact SD-CB 4.47Å; M40-V55 HydrophobicContact SD-CG1 3.92Å; M40-V55 HydrophobicContact SD-CG2 3.83Å; M40-M69 HydrophobicContact CE-CE 3.47Å; M40-M69 VanDerWaalsContact CE-CE 3.47Å; M40-M69 HydrophobicContact CE-SD 4.41Å; M40-M69 HydrophobicContact CG-CE 3.83Å; M40-M69 HydrophobicContact CG-SD 3.59Å; M40-M69 VanDerWaalsContact CG-SD 3.59Å; M40-M69 HydrophobicContact SD-CE 3.46Å; M40-M69 WeakPolarHBondContact SD-CE 3.2Å; M40-M69 HydrophobicContact SD-SD 4.05Å; M40-M77 HydrophobicContact CE-CB 4.16Å
41	R	95.9	Very high	94.1	Very high	120 Å²	120	59.5 Å²	59.5	45%	0.453	29%	0.294	S	S	.	.	H	α-helix	trans	-60	-44.1	174	-168.7	-163.4	68.5	84.4	0.8	111.3	T37 E38 L39 R45	T37-R41 WeakPolarHBondContact O-CB 3.44Å; T37-R41 PolarHBondContact O-N 2.02Å; E38-R41 PolarHBondContact O-N 2.85Å; E38-R41 IonicContact OE1-CZ 2.75Å; E38-R41 IonicContact OE1-NE 3.45Å; E38-R41 IonicContact OE1-NH2 3.66Å; E38-R41 PolarHBondContact OE1-NH2 3.45Å; E38-R41 IonicContact OE2-CZ 3.43Å; E38-R41 IonicContact OE2-NE 3.14Å; E38-R41 PolarHBondContact OE2-NE 3.26Å; E38-R41 IonicContact OE2-NH2 2.96Å; E38-R41 PolarHBondContact OE2-NH2 3.23Å; L39-R41 VanDerWaalsContact C-N 3.31Å; L39-R41 PolarHBondContact O-N 3.05Å; R41-R45 WeakPolarHBondContact O-CG 3.49Å; R41-R45 PolarHBondContact O-N 3.38Å
42	R	96.9	Very high	93.8	Very high	22 Å²	22	64.5 Å²	64.5	8%	0.083	32%	0.315	C	S	.	.	H	α-helix	trans	-67	-45	177.7	-67.6	-171.5	-171.7	-166.8	6.9	111.9	E38 L39 M40 R45 F46 I124	E38-R42 WeakPolarHBondContact O-CG 3.36Å; E38-R42 PolarHBondContact O-N 3.41Å; E38-R42 IonicContact OE1-CZ 2.64Å; E38-R42 IonicContact OE1-NE 3.33Å; E38-R42 PolarHBondContact OE1-NE 3.46Å; E38-R42 IonicContact OE1-NH2 2.79Å; E38-R42 PolarHBondContact OE1-NH2 2.83Å; L39-R42 PolarHBondContact O-N 2.81Å; L39-R42 VanDerWaalsContact O-N 3.12Å; M40-R42 VanDerWaalsContact C-N 3.34Å; M40-R42 PolarHBondContact O-N 2.88Å; R42-R45 WeakPolarHBondContact O-CB 3.36Å; R42-R45 PolarHBondContact O-N 3.08Å; R42-F46 VanDerWaalsContact O-CD2 3.31Å; R42-F46 WeakPolarHBondContact O-CD2 3.5Å; R42-I124 HydrophobicContact CB-CD1 3.69Å
43	V	95.5	Very high	93.7	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.9	-43.4	177.9	174.4	0	0	0	0	111.3	L39 M40 R45 F46 Q47 C53 V55 M77 V97 I124	L39-V43 HydrophobicContact CD1-CG2 4.16Å; L39-V43 WeakPolarHBondContact O-CG2 3.13Å; L39-V43 PolarHBondContact O-N 2.8Å; M40-V43 PolarHBondContact O-N 3.25Å; V43-R45 VanDerWaalsContact C-N 3.25Å; V43-R45 PolarHBondContact O-N 2.81Å; V43-F46 WeakPolarHBondContact O-CB 3.38Å; V43-F46 PolarHBondContact O-N 3.06Å; V43-Q47 PolarHBondContact O-N 3.38Å; V43-C53 HydrophobicContact CG1-CB 3.85Å; V43-V55 HydrophobicContact CB-CG2 4.49Å; V43-V55 HydrophobicContact CG1-CG2 3.9Å; V43-V55 HydrophobicContact CG2-CG2 4.36Å; V43-M77 HydrophobicContact CG1-CE 3.52Å; V43-M77 HydrophobicContact CG1-SD 3.42Å; V43-M77 WeakPolarHBondContact CG1-SD 3.04Å; V43-V97 HydrophobicContact CG2-CG1 4.42Å; V43-I124 HydrophobicContact CG2-CD1 4.19Å
44	R	93.5	Very high	93.7	Very high	116 Å²	116	62.5 Å²	62.5	44%	0.438	31%	0.309	S	S	.	.	H	α-helix	trans	-59.9	-32.3	178.9	-170	171.1	-177	175.8	0.3	112.7	M40 F46 Q47 V48 D73	M40-R44 WeakPolarHBondContact O-CB 3.45Å; M40-R44 PolarHBondContact O-N 2.78Å; R44-F46 VanDerWaalsContact C-N 3.29Å; R44-F46 PolarHBondContact O-N 3.43Å; R44-Q47 PolarHBondContact O-N 3.24Å; R44-V48 HydrophobicContact CG-CG2 4.36Å; R44-V48 VanDerWaalsContact O-CG2 3.32Å; R44-V48 WeakPolarHBondContact O-CG2 3.39Å; R44-V48 PolarHBondContact O-N 3.38Å; R44-D73 IonicContact CZ-OD2 3.64Å; R44-D73 IonicContact NH1-OD2 3.65Å; R44-D73 PolarHBondContact NH1-OD2 3.15Å; R44-D73 VanDerWaalsContact NH1-OD2 3.14Å; R44-D73 IonicContact NH2-OD2 3.39Å; R44-D73 PolarHBondContact NH2-OD2 3.18Å
45	R	93.9	Very high	93.7	Very high	155 Å²	155	61.1 Å²	61.1	59%	0.585	29%	0.294	S	S	*	.	H	α-helix	trans	-59.4	-39.9	173.9	-70.6	167.5	62.8	-157.9	-0.2	112.2	R41 R42 V43 A49	R41-R45 WeakPolarHBondContact O-CG 3.49Å; R41-R45 PolarHBondContact O-N 3.38Å; R42-R45 WeakPolarHBondContact O-CB 3.36Å; R42-R45 PolarHBondContact O-N 3.08Å; V43-R45 VanDerWaalsContact C-N 3.25Å; V43-R45 PolarHBondContact O-N 2.81Å; R45-A49 PolarHBondContact O-N 2.78Å
46	F	92.3	Very high	93.6	Very high	43 Å²	43	60.6 Å²	60.6	19%	0.189	29%	0.292	C	S	.	.	H	α-helix	trans	-75.6	-38.6	176.4	-69.6	-82.6	0	0	0	112	R42 V43 R44 V48 A49 Q50 Y51 V97 T122 I124	R42-F46 VanDerWaalsContact O-CD2 3.31Å; R42-F46 WeakPolarHBondContact O-CD2 3.5Å; V43-F46 WeakPolarHBondContact O-CB 3.38Å; V43-F46 PolarHBondContact O-N 3.06Å; R44-F46 VanDerWaalsContact C-N 3.29Å; R44-F46 PolarHBondContact O-N 3.43Å; F46-V48 PolarHBondContact O-N 2.98Å; F46-A49 CarbonylContact O-C 3.58Å; F46-A49 VanDerWaalsContact O-C 3.3Å; F46-A49 WeakPolarHBondContact O-CA 3.17Å; F46-A49 PolarHBondContact O-N 3.14Å; F46-A49 VanDerWaalsContact O-N 3.13Å; F46-Q50 PolarHBondContact O-N 3.15Å; F46-Y51 HydrophobicContact CB-CD2 4.28Å; F46-Y51 HydrophobicContact CB-CG 4.33Å; F46-Y51 HydrophobicContact CD1-CD2 4.09Å; F46-Y51 HydrophobicContact CD1-CE2 4.32Å; F46-Y51 HydrophobicContact CD1-CG 4.29Å; F46-Y51 WeakPolarHBondContact O-CB 3.47Å; F46-Y51 WeakPolarHBondContact O-CD2 3.32Å; F46-Y51 PolarHBondContact O-N 3.33Å; F46-V97 HydrophobicContact CB-CB 4.38Å; F46-V97 HydrophobicContact CB-CG1 4.5Å; F46-V97 HydrophobicContact CB-CG2 3.66Å; F46-V97 HydrophobicContact CD1-CG2 3.76Å; F46-V97 HydrophobicContact CD2-CG1 3.97Å; F46-V97 HydrophobicContact CD2-CG2 4.02Å; F46-V97 HydrophobicContact CE1-CG2 4.36Å; F46-V97 HydrophobicContact CE2-CG1 4.46Å; F46-V97 HydrophobicContact CG-CB 4.47Å; F46-V97 HydrophobicContact CG-CG1 4.33Å; F46-V97 HydrophobicContact CG-CG2 3.57Å; F46-T122 HydrophobicContact CE2-CG2 4.13Å; F46-T122 HydrophobicContact CZ-CG2 4.02Å; F46-I124 HydrophobicContact CE2-CD1 4.27Å
47	Q	88.3	Confident	93.6	Very high	58 Å²	58	62.6 Å²	62.6	27%	0.271	30%	0.296	S	S	.	.	H	α-helix	trans	-60.3	-43.1	175.9	-168.9	-172.3	19.8	0	0	112.4	V43 R44 A49 Q50 M77	V43-Q47 PolarHBondContact O-N 3.38Å; R44-Q47 PolarHBondContact O-N 3.24Å; Q47-A49 PolarHBondContact O-N 3.21Å; Q47-Q50 VanDerWaalsContact O-CA 3.31Å; Q47-Q50 WeakPolarHBondContact O-CA 3.34Å; Q47-Q50 PolarHBondContact O-N 3.35Å; Q47-M77 HydrophobicContact CB-CE 3.65Å; Q47-M77 HydrophobicContact CG-CE 3.62Å; Q47-M77 VanDerWaalsContact OE1-CE 3.28Å
48	V	89.9	Confident	93.5	Very high	104 Å²	104	57.9 Å²	57.9	63%	0.63	27%	0.267	S	S	*	.	H	α-helix	trans	-60.6	-38.2	175.7	169.5	0	0	0	0	110.7	R44 F46 Q50	R44-V48 HydrophobicContact CG-CG2 4.36Å; R44-V48 VanDerWaalsContact O-CG2 3.32Å; R44-V48 WeakPolarHBondContact O-CG2 3.39Å; R44-V48 PolarHBondContact O-N 3.38Å; F46-V48 PolarHBondContact O-N 2.98Å; V48-Q50 PolarHBondContact O-N 2.73Å; V48-Q50 VanDerWaalsContact O-N 3.15Å; V48-Q50 PolarHBondContact O-NE2 3.31Å
49	A	87.9	Confident	93.2	Very high	53 Å²	53	58.1 Å²	58.1	44%	0.438	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	16.4	171.4	0	0	0	0	0	113.9	R45 F46 Q47 Y51	R45-A49 PolarHBondContact O-N 2.78Å; F46-A49 CarbonylContact O-C 3.58Å; F46-A49 VanDerWaalsContact O-C 3.3Å; F46-A49 WeakPolarHBondContact O-CA 3.17Å; F46-A49 PolarHBondContact O-N 3.14Å; F46-A49 VanDerWaalsContact O-N 3.13Å; Q47-A49 PolarHBondContact O-N 3.21Å; A49-Y51 VanDerWaalsContact C-N 3.26Å; A49-Y51 HydrophobicContact CB-CD2 3.85Å; A49-Y51 HydrophobicContact CB-CE2 3.94Å; A49-Y51 PolarHBondContact O-N 2.91Å
50	Q	87.8	Confident	92.8	Very high	140 Å²	140	63.4 Å²	63.4	65%	0.654	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	5.6	175.2	-55.1	-59.7	-65	0	0	116.2	I11 F46 Q47 V48 K52	I11-Q50 VanDerWaalsContact CD1-C 3.41Å; I11-Q50 HydrophobicContact CD1-CB 3.97Å; I11-Q50 WeakPolarHBondContact CD1-O 3.42Å; F46-Q50 PolarHBondContact O-N 3.15Å; Q47-Q50 VanDerWaalsContact O-CA 3.31Å; Q47-Q50 WeakPolarHBondContact O-CA 3.34Å; Q47-Q50 PolarHBondContact O-N 3.35Å; V48-Q50 PolarHBondContact O-N 2.73Å; V48-Q50 VanDerWaalsContact O-N 3.15Å; V48-Q50 PolarHBondContact O-NE2 3.31Å; Q50-K52 PolarHBondContact O-N 2.96Å
51	Y	88.9	Confident	92.3	Very high	73 Å²	73	62.5 Å²	62.5	29%	0.286	29%	0.294	S	S	.	.			trans	-61.3	138.5	176.1	-72.4	-97.4	0	0	0	111.4	F46 A49 C53 C96	F46-Y51 HydrophobicContact CB-CD2 4.28Å; F46-Y51 HydrophobicContact CB-CG 4.33Å; F46-Y51 HydrophobicContact CD1-CD2 4.09Å; F46-Y51 HydrophobicContact CD1-CE2 4.32Å; F46-Y51 HydrophobicContact CD1-CG 4.29Å; F46-Y51 WeakPolarHBondContact O-CB 3.47Å; F46-Y51 WeakPolarHBondContact O-CD2 3.32Å; F46-Y51 PolarHBondContact O-N 3.33Å; A49-Y51 VanDerWaalsContact C-N 3.26Å; A49-Y51 HydrophobicContact CB-CD2 3.85Å; A49-Y51 HydrophobicContact CB-CE2 3.94Å; A49-Y51 PolarHBondContact O-N 2.91Å; Y51-C53 PolarHBondContact O-N 3.38Å; Y51-C53 PolarHBondContact O-SG 3.44Å; Y51-C96 HydrophobicContact CD1-CB 3.85Å
52	K	90.9	Very high	91.6	Very high	120 Å²	120	62.4 Å²	62.4	52%	0.522	30%	0.301	S	S	.	.			trans	-64.7	115.3	169.4	-68.6	-173.5	179.3	-178.8	0	109.1	Q50 K94 C96 V97	Q50-K52 PolarHBondContact O-N 2.96Å; K52-K94 WeakPolarHBondContact CD-O 3.42Å; K52-C96 WeakPolarHBondContact O-CA 3.28Å; K52-C96 WeakPolarHBondContact O-CB 3.26Å; K52-C96 PolarHBondContact O-N 3.46Å; K52-V97 PolarHBondContact O-N 2.86Å
53	C	94.4	Very high	90.4	Very high	31 Å²	31	64.7 Å²	64.7	21%	0.209	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	143.1	-177.6	-60.6	0	0	0	0	110.1	V43 Y51 M77 V97	V43-C53 HydrophobicContact CG1-CB 3.85Å; Y51-C53 PolarHBondContact O-N 3.38Å; Y51-C53 PolarHBondContact O-SG 3.44Å; C53-M77 HydrophobicContact CB-CE 3.35Å; C53-M77 HydrophobicContact CB-SD 3.55Å; C53-M77 VanDerWaalsContact CB-SD 3.55Å; C53-V97 CarbonylContact C-O 3.3Å; C53-V97 VanDerWaalsContact CA-O 3.31Å; C53-V97 WeakPolarHBondContact CA-O 3.31Å
54	L	95.7	Very high	88.7	Confident	20 Å²	20	71.1 Å²	71.1	11%	0.105	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.2	171.7	173.8	65	0	0	0	107.9	I56 V80 A91 A92 A95 V97 I98 G99	L54-I56 HydrophobicContact CD2-CD1 4.11Å; L54-I56 HydrophobicContact CD2-CG1 4.17Å; L54-I56 HydrophobicContact CG-CD1 4.33Å; L54-I56 HydrophobicContact CG-CG1 3.98Å; L54-V80 HydrophobicContact CD1-CB 4.35Å; L54-V80 HydrophobicContact CD1-CG2 3.69Å; L54-A91 HydrophobicContact CD2-CB 4.18Å; L54-A92 HydrophobicContact CD2-CB 3.98Å; L54-A95 HydrophobicContact CB-CB 3.72Å; L54-V97 PolarHBondContact N-O 2.76Å; L54-I98 CarbonylContact O-C 3.57Å; L54-I98 WeakPolarHBondContact O-CA 3.42Å; L54-G99 PolarHBondContact O-N 3.33Å
55	V	96.9	Very high	86.9	Confident	3 Å²	3	68.5 Å²	68.5	2%	0.018	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.5	171	174.1	0	0	0	0	108.5	M40 V43 M77 A79 V80 G99	M40-V55 HydrophobicContact CE-CG2 4.26Å; M40-V55 HydrophobicContact SD-CB 4.47Å; M40-V55 HydrophobicContact SD-CG1 3.92Å; M40-V55 HydrophobicContact SD-CG2 3.83Å; V43-V55 HydrophobicContact CB-CG2 4.49Å; V43-V55 HydrophobicContact CG1-CG2 3.9Å; V43-V55 HydrophobicContact CG2-CG2 4.36Å; V55-M77 HydrophobicContact CB-SD 4.3Å; V55-M77 HydrophobicContact CG2-CG 4.16Å; V55-M77 HydrophobicContact CG2-SD 3.37Å; V55-M77 WeakPolarHBondContact CG2-SD 3.48Å; V55-A79 HydrophobicContact CB-CB 4.27Å; V55-A79 HydrophobicContact CG1-CB 3.72Å; V55-A79 CarbonylContact O-C 3.56Å; V55-A79 WeakPolarHBondContact O-CA 3.38Å; V55-V80 PolarHBondContact O-N 2.95Å; V55-G99 CarbonylContact C-O 3.55Å; V55-G99 WeakPolarHBondContact CA-O 3.43Å
56	I	96.2	Very high	84.4	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	134	-173.7	-54.6	154.3	0	0	0	107.3	L54 V80 A82 L85 I88 I98 G99 I100 D101 F106	L54-I56 HydrophobicContact CD2-CD1 4.11Å; L54-I56 HydrophobicContact CD2-CG1 4.17Å; L54-I56 HydrophobicContact CG-CD1 4.33Å; L54-I56 HydrophobicContact CG-CG1 3.98Å; I56-V80 WeakPolarHBondContact CA-O 3.34Å; I56-A82 HydrophobicContact CG2-CB 4.15Å; I56-L85 HydrophobicContact CD1-CD2 4.15Å; I56-L85 HydrophobicContact CG2-CD2 3.87Å; I56-I88 HydrophobicContact CB-CD1 4.02Å; I56-I88 HydrophobicContact CD1-CD1 3.19Å; I56-I88 HydrophobicContact CG1-CD1 3.3Å; I56-I88 HydrophobicContact CG2-CD1 3.49Å; I56-I88 VanDerWaalsContact CG2-CD1 3.49Å; I56-I98 HydrophobicContact CD1-CG2 3.49Å; I56-I98 VanDerWaalsContact CD1-CG2 3.49Å; I56-G99 PolarHBondContact N-O 3.36Å; I56-I100 HydrophobicContact CD1-CG1 3.98Å; I56-D101 PolarHBondContact O-N 3.17Å; I56-F106 HydrophobicContact CG2-CE1 4.31Å; I56-F106 HydrophobicContact CG2-CZ 3.95Å
57	K	94.3	Very high	82	Confident	75 Å²	75	70.4 Å²	70.4	33%	0.326	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	151.9	175.8	65.5	176	-179.7	176.6	0	110.8	A59 A79 V80 P81 A82	K57-A59 PolarHBondContact O-N 2.92Å; K57-A79 HydrophobicContact CB-CB 4.32Å; K57-A79 HydrophobicContact CD-CB 4.07Å; K57-A79 HydrophobicContact CG-CB 4.13Å; K57-V80 PolarHBondContact N-O 2.9Å; K57-P81 HydrophobicContact CG-CB 4.27Å; K57-P81 WeakPolarHBondContact O-CA 3.2Å; K57-A82 PolarHBondContact O-N 3.23Å
58	Y	94.1	Very high	79.9	Confident	9 Å²	9	70 Å²	70	4%	0.035	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	122.3	175.6	-171.7	-122.1	0	0	0	111.2	K60 D61 A82 T83 F105 F106 E177	Y58-K60 VanDerWaalsContact C-N 3.3Å; Y58-K60 HydrophobicContact CD1-CB 4.02Å; Y58-K60 HydrophobicContact CE1-CB 3.52Å; Y58-K60 HydrophobicContact CE1-CD 3.95Å; Y58-K60 HydrophobicContact CE1-CG 3.83Å; Y58-K60 PolarHBondContact O-N 3.12Å; Y58-K60 WeakPolarHBondContact OH-CD 3.34Å; Y58-K60 VanDerWaalsContact OH-CE 3.23Å; Y58-K60 WeakPolarHBondContact OH-CE 3.21Å; Y58-K60 PolarHBondContact OH-NZ 2.78Å; Y58-D61 HydrophobicContact CD1-CB 4.4Å; Y58-D61 PolarHBondContact O-N 2.87Å; Y58-D61 VanDerWaalsContact O-N 3.08Å; Y58-A82 CarbonylContact C-O 3.52Å; Y58-A82 WeakPolarHBondContact CA-O 3.36Å; Y58-T83 HydrophobicContact CE2-CG2 4.17Å; Y58-F105 HydrophobicContact CD1-CB 3.71Å; Y58-F105 AromaticContact CD1-CD2 3.53Å; Y58-F105 HydrophobicContact CD1-CD2 3.53Å; Y58-F105 HydrophobicContact CD1-CE2 4.27Å; Y58-F105 AromaticContact CD1-CG 3.7Å; Y58-F105 HydrophobicContact CD1-CG 3.7Å; Y58-F105 HydrophobicContact CD2-CB 3.54Å; Y58-F105 HydrophobicContact CD2-CG 4.43Å; Y58-F105 HydrophobicContact CE1-CB 3.77Å; Y58-F105 HydrophobicContact CE1-CD1 4.24Å; Y58-F105 HydrophobicContact CE1-CD2 4.08Å; Y58-F105 AromaticContact CE1-CG 3.81Å; Y58-F105 HydrophobicContact CE1-CG 3.81Å; Y58-F105 HydrophobicContact CE2-CB 3.61Å; Y58-F105 HydrophobicContact CG-CB 3.59Å; Y58-F105 AromaticContact CG-CD2 3.87Å; Y58-F105 HydrophobicContact CG-CD2 3.87Å; Y58-F105 HydrophobicContact CG-CG 4.02Å; Y58-F106 HydrophobicContact CD2-CE1 4.2Å; Y58-F106 HydrophobicContact CD2-CE2 4.35Å; Y58-F106 HydrophobicContact CD2-CZ 4.11Å; Y58-E177 PolarHBondContact OH-OE1 3.26Å
59	A	91.3	Very high	77.7	Confident	42 Å²	42	69.1 Å²	69.1	35%	0.347	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-30.4	-169.9	0	0	0	0	0	113.8	K57 D61 P81 A82 T83	K57-A59 PolarHBondContact O-N 2.92Å; A59-D61 PolarHBondContact O-N 2.8Å; A59-P81 HydrophobicContact CB-CB 4.02Å; A59-A82 PolarHBondContact N-O 3.43Å; A59-T83 HydrophobicContact CB-CG2 3.93Å
60	K	89.1	Confident	75.2	Confident	111 Å²	111	71 Å²	71	48%	0.483	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-8.3	178.5	-49.2	-176	-166.3	157	0	113.1	Y58 I62 T83 E177	Y58-K60 VanDerWaalsContact C-N 3.3Å; Y58-K60 HydrophobicContact CD1-CB 4.02Å; Y58-K60 HydrophobicContact CE1-CB 3.52Å; Y58-K60 HydrophobicContact CE1-CD 3.95Å; Y58-K60 HydrophobicContact CE1-CG 3.83Å; Y58-K60 PolarHBondContact O-N 3.12Å; Y58-K60 WeakPolarHBondContact OH-CD 3.34Å; Y58-K60 VanDerWaalsContact OH-CE 3.23Å; Y58-K60 WeakPolarHBondContact OH-CE 3.21Å; Y58-K60 PolarHBondContact OH-NZ 2.78Å; K60-I62 PolarHBondContact O-N 2.99Å; K60-T83 HydrophobicContact CG-CG2 4.29Å; K60-E177 IonicContact NZ-OE1 3.28Å; K60-E177 PolarHBondContact NZ-OE1 3.32Å
61	D	84.2	Confident	72.8	Confident	18 Å²	18	69.7 Å²	69.7	10%	0.096	38%	0.383	C	S	.	.			trans	-85.7	85.6	173.6	-165.3	-11.8	0	0	0	111	Y58 A59 R63	Y58-D61 HydrophobicContact CD1-CB 4.4Å; Y58-D61 PolarHBondContact O-N 2.87Å; Y58-D61 VanDerWaalsContact O-N 3.08Å; A59-D61 PolarHBondContact O-N 2.8Å; D61-R63 VanDerWaalsContact C-N 3.33Å; D61-R63 WeakPolarHBondContact OD1-CB 3.42Å; D61-R63 VanDerWaalsContact OD1-CG 3.31Å; D61-R63 WeakPolarHBondContact OD1-CG 3.34Å; D61-R63 IonicContact OD1-CZ 2.73Å; D61-R63 PolarHBondContact OD1-N 3.07Å; D61-R63 IonicContact OD1-NE 3.43Å; D61-R63 PolarHBondContact OD1-NE 2.85Å; D61-R63 IonicContact OD1-NH2 3.31Å; D61-R63 IonicContact OD2-CZ 3.69Å; D61-R63 IonicContact OD2-NE 2.79Å; D61-R63 PolarHBondContact OD2-NE 3.49Å; D61-R63 IonicContact OD2-NH2 3.56Å; D61-R63 PolarHBondContact OD2-NH2 3.07Å
62	I	81.3	Confident	70.2	Confident	118 Å²	118	74.7 Å²	74.7	61%	0.605	41%	0.408	S	S	*	.			trans	-90.5	8.6	-179.8	62.9	170.7	0	0	0	113.3	K60 Y64 S65	K60-I62 PolarHBondContact O-N 2.99Å; I62-Y64 PolarHBondContact O-N 2.89Å; I62-S65 PolarHBondContact O-N 3.42Å; I62-S65 PolarHBondContact O-OG 3.01Å
63	R	71.6	Confident	67.5	Low	69 Å²	69	73 Å²	73	26%	0.26	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.3	-177.8	-64.6	177.1	-65.2	158.7	5.2	113.2	M31 D61 E102 I179 G180	M31-R63 VanDerWaalsContact CE-NH1 3.29Å; D61-R63 VanDerWaalsContact C-N 3.33Å; D61-R63 WeakPolarHBondContact OD1-CB 3.42Å; D61-R63 VanDerWaalsContact OD1-CG 3.31Å; D61-R63 WeakPolarHBondContact OD1-CG 3.34Å; D61-R63 IonicContact OD1-CZ 2.73Å; D61-R63 PolarHBondContact OD1-N 3.07Å; D61-R63 IonicContact OD1-NE 3.43Å; D61-R63 PolarHBondContact OD1-NE 2.85Å; D61-R63 IonicContact OD1-NH2 3.31Å; D61-R63 IonicContact OD2-CZ 3.69Å; D61-R63 IonicContact OD2-NE 2.79Å; D61-R63 PolarHBondContact OD2-NE 3.49Å; D61-R63 IonicContact OD2-NH2 3.56Å; D61-R63 PolarHBondContact OD2-NH2 3.07Å; R63-E102 IonicContact NH2-OE1 2.78Å; R63-E102 PolarHBondContact NH2-OE1 2.98Å; R63-I179 HydrophobicContact CG-CG2 3.7Å; R63-G180 WeakPolarHBondContact CD-O 3.34Å; R63-G180 PolarHBondContact NH1-O 3.3Å
64	Y	61.3	Low	64.7	Low	135 Å²	135	82 Å²	82	53%	0.529	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	13.3	-176.1	-53.3	-76.4	0	0	0	112.7	I62 D66 S67	I62-Y64 PolarHBondContact O-N 2.89Å; Y64-D66 VanDerWaalsContact C-N 3.27Å; Y64-D66 PolarHBondContact O-N 2.8Å; Y64-S67 PolarHBondContact O-N 3.26Å
65	S	53.8	Low	62.2	Low	62 Å²	62	86.8 Å²	86.8	43%	0.434	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.7	-172.9	55.1	0	0	0	0	114.5	I62	I62-S65 PolarHBondContact O-N 3.42Å; I62-S65 PolarHBondContact O-OG 3.01Å
66	D	42.3	Very low	60	Low	163 Å²	163	90.2 Å²	90.2	87%	0.872	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-3.8	-177.2	-69.3	-15.6	0	0	0	114.4	Y64	Y64-D66 VanDerWaalsContact C-N 3.27Å; Y64-D66 PolarHBondContact O-N 2.8Å
67	S	41.7	Very low	58.5	Low	75 Å²	75	91.4 Å²	91.4	52%	0.524	49%	0.493	S	S	.	.	S	Bend	trans	-127.3	86.2	172.4	53.5	0	0	0	0	108.4	Y64 M69	Y64-S67 PolarHBondContact O-N 3.26Å; S67-M69 PolarHBondContact O-N 3.29Å
68	G	44.3	Very low	57.7	Low	50 Å²	50	96.2 Å²	96.2	52%	0.515	52%	0.517	S	S	.	.			trans	-42	122.4	163.9	0	0	0	0	0	108.1	A70	G68-A70 PolarHBondContact O-N 2.94Å
69	M	43.6	Very low	57.3	Low	85 Å²	85	96.6 Å²	96.6	42%	0.419	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-35.2	101.9	-170.3	-74	-165.9	-72.4	0	0	111.7	M40 S67 T76 A79	M40-M69 HydrophobicContact CE-CE 3.47Å; M40-M69 VanDerWaalsContact CE-CE 3.47Å; M40-M69 HydrophobicContact CE-SD 4.41Å; M40-M69 HydrophobicContact CG-CE 3.83Å; M40-M69 HydrophobicContact CG-SD 3.59Å; M40-M69 VanDerWaalsContact CG-SD 3.59Å; M40-M69 HydrophobicContact SD-CE 3.46Å; M40-M69 WeakPolarHBondContact SD-CE 3.2Å; M40-M69 HydrophobicContact SD-SD 4.05Å; S67-M69 PolarHBondContact O-N 3.29Å; M69-T76 WeakPolarHBondContact O-CG2 3.39Å; M69-A79 HydrophobicContact CE-CB 4.46Å
70	A	35.9	Very low	57.4	Low	92 Å²	92	97.2 Å²	97.2	76%	0.76	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	28.3	85	178.3	0	0	0	0	0	115.6	G68 H72	G68-A70 PolarHBondContact O-N 2.94Å; A70-H72 PolarHBondContact O-N 3.35Å
71	T	36.3	Very low	57.6	Low	112 Å²	112	95.5 Å²	95.5	69%	0.687	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	75.3	168.8	36.2	0	0	0	0	113.1
72	H	35.5	Very low	58.1	Low	179 Å²	179	95 Å²	95	83%	0.829	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.4	-13.2	158.6	-147.9	-72.5	0	0	0	114.6	A70	A70-H72 PolarHBondContact O-N 3.35Å
73	D	34.6	Very low	58.7	Low	85 Å²	85	92.4 Å²	92.4	46%	0.455	51%	0.509	S	S	.	.	S	Bend	trans	-105.4	124.1	168.6	-70.4	-20.5	0	0	0	108.3	R44 N75	R44-D73 IonicContact CZ-OD2 3.64Å; R44-D73 IonicContact NH1-OD2 3.65Å; R44-D73 PolarHBondContact NH1-OD2 3.15Å; R44-D73 VanDerWaalsContact NH1-OD2 3.14Å; R44-D73 IonicContact NH2-OD2 3.39Å; R44-D73 PolarHBondContact NH2-OD2 3.18Å; D73-N75 PolarHBondContact O-N 3.29Å
74	K	34.6	Very low	59.9	Low	219 Å²	219	90.9 Å²	90.9	95%	0.952	51%	0.509	S	S	*	.	S	Bend	trans	-62.3	19.1	-178.7	-67.2	177.7	175	178.1	0	115.5
75	N	43.1	Very low	61.7	Low	120 Å²	120	84.5 Å²	84.5	64%	0.642	48%	0.484	S	S	*	.			trans	-129.7	36.2	-176.3	-74.5	-13.4	0	0	0	112.1	D73 M77	D73-N75 PolarHBondContact O-N 3.29Å; N75-M77 PolarHBondContact O-N 2.98Å
76	T	51.4	Low	63.7	Low	76 Å²	76	83.3 Å²	83.3	47%	0.466	48%	0.482	S	S	.	.			trans	-64	120.7	175.6	47.4	0	0	0	0	110.1	M69 E78	M69-T76 WeakPolarHBondContact O-CG2 3.39Å; T76-E78 PolarHBondContact O-N 2.89Å
77	M	65.4	Low	66.2	Low	24 Å²	24	81 Å²	81	12%	0.118	47%	0.469	C	S	.	.			trans	-72.8	111.6	170.9	-172.9	176.9	-55.8	0	0	108.3	M40 V43 Q47 C53 V55 N75 A79	M40-M77 HydrophobicContact CE-CB 4.16Å; V43-M77 HydrophobicContact CG1-CE 3.52Å; V43-M77 HydrophobicContact CG1-SD 3.42Å; V43-M77 WeakPolarHBondContact CG1-SD 3.04Å; Q47-M77 HydrophobicContact CB-CE 3.65Å; Q47-M77 HydrophobicContact CG-CE 3.62Å; Q47-M77 VanDerWaalsContact OE1-CE 3.28Å; C53-M77 HydrophobicContact CB-CE 3.35Å; C53-M77 HydrophobicContact CB-SD 3.55Å; C53-M77 VanDerWaalsContact CB-SD 3.55Å; V55-M77 HydrophobicContact CB-SD 4.3Å; V55-M77 HydrophobicContact CG2-CG 4.16Å; V55-M77 HydrophobicContact CG2-SD 3.37Å; V55-M77 WeakPolarHBondContact CG2-SD 3.48Å; N75-M77 PolarHBondContact O-N 2.98Å; M77-A79 PolarHBondContact O-N 3.2Å
78	E	75.8	Confident	68.7	Low	176 Å²	176	78.3 Å²	78.3	82%	0.822	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-67.4	128.6	179	-165.6	177.3	179.7	0	0	110.1	T76	T76-E78 PolarHBondContact O-N 2.89Å
79	A	86.8	Confident	71.2	Confident	17 Å²	17	80.4 Å²	80.4	14%	0.14	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	124	178.9	0	0	0	0	0	110.3	V55 K57 M69 M77 P81	V55-A79 HydrophobicContact CB-CB 4.27Å; V55-A79 HydrophobicContact CG1-CB 3.72Å; V55-A79 CarbonylContact O-C 3.56Å; V55-A79 WeakPolarHBondContact O-CA 3.38Å; K57-A79 HydrophobicContact CB-CB 4.32Å; K57-A79 HydrophobicContact CD-CB 4.07Å; K57-A79 HydrophobicContact CG-CB 4.13Å; M69-A79 HydrophobicContact CE-CB 4.46Å; M77-A79 PolarHBondContact O-N 3.2Å; A79-P81 WeakPolarHBondContact O-CD 3.47Å
80	V	92.1	Very high	73.6	Confident	55 Å²	55	80.1 Å²	80.1	33%	0.333	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	120	179.1	-178.5	0	0	0	0	109.3	L54 V55 I56 K57 I88	L54-V80 HydrophobicContact CD1-CB 4.35Å; L54-V80 HydrophobicContact CD1-CG2 3.69Å; V55-V80 PolarHBondContact O-N 2.95Å; I56-V80 WeakPolarHBondContact CA-O 3.34Å; K57-V80 PolarHBondContact N-O 2.9Å; V80-I88 HydrophobicContact CG1-CG2 4.07Å
81	P	93.6	Very high	76.3	Confident	76 Å²	76	77.7 Å²	77.7	49%	0.494	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	136	174.9	29.7	-32.4	0	0	0	110.9	K57 A59 A79	K57-P81 HydrophobicContact CG-CB 4.27Å; K57-P81 WeakPolarHBondContact O-CA 3.2Å; A59-P81 HydrophobicContact CB-CB 4.02Å; A79-P81 WeakPolarHBondContact O-CD 3.47Å
82	A	94.3	Very high	79.1	Confident	8 Å²	8	72.3 Å²	72.3	7%	0.066	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	159.6	173.4	0	0	0	0	0	111.4	I56 K57 Y58 A59 I88 F106	I56-A82 HydrophobicContact CG2-CB 4.15Å; K57-A82 PolarHBondContact O-N 3.23Å; Y58-A82 CarbonylContact C-O 3.52Å; Y58-A82 WeakPolarHBondContact CA-O 3.36Å; A59-A82 PolarHBondContact N-O 3.43Å; A82-I88 HydrophobicContact CB-CD1 4.37Å; A82-I88 HydrophobicContact CB-CG2 4.04Å; A82-F106 HydrophobicContact CB-CE1 4Å; A82-F106 VanDerWaalsContact O-CE1 3.23Å; A82-F106 WeakPolarHBondContact O-CE1 3.38Å
83	T	95.1	Very high	82	Confident	62 Å²	62	66.5 Å²	66.5	38%	0.38	37%	0.369	S	S	.	.	S	Bend	trans	-109.4	-19.1	168.4	48.2	0	0	0	0	112.9	Y58 A59 K60	Y58-T83 HydrophobicContact CE2-CG2 4.17Å; A59-T83 HydrophobicContact CB-CG2 3.93Å; K60-T83 HydrophobicContact CG-CG2 4.29Å
84	C	96.9	Very high	84.7	Confident	38 Å²	38	69.9 Å²	69.9	26%	0.257	38%	0.38	S	S	.	.			trans	-136.1	134.5	177.9	-177	0	0	0	0	107.3	G86 D87 D108	C84-G86 VanDerWaalsContact C-N 3.33Å; C84-D87 WeakPolarHBondContact CB-OD2 3.2Å; C84-D108 PolarHBondContact SG-OD2 3.21Å
85	L	97.8	Very high	87.5	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	34%	0.337	C	S	.	.	S	Bend	trans	-76.6	-25	-178.2	-59.7	169.6	0	0	0	111.6	I56 D87 I88 R89 I100 F106 D108 T109 F112	I56-L85 HydrophobicContact CD1-CD2 4.15Å; I56-L85 HydrophobicContact CG2-CD2 3.87Å; L85-D87 PolarHBondContact O-N 2.79Å; L85-I88 HydrophobicContact CD2-CD1 4.13Å; L85-I88 WeakPolarHBondContact O-CG1 3.33Å; L85-I88 PolarHBondContact O-N 2.81Å; L85-R89 PolarHBondContact O-N 2.74Å; L85-I100 HydrophobicContact CD1-CD1 3.9Å; L85-I100 HydrophobicContact CD2-CD1 4.3Å; L85-I100 HydrophobicContact CD2-CG1 4.47Å; L85-I100 HydrophobicContact CD2-CG2 4.31Å; L85-F106 HydrophobicContact CD1-CB 4.01Å; L85-F106 HydrophobicContact CD1-CG 4.26Å; L85-F106 HydrophobicContact CD2-CD1 3.69Å; L85-F106 HydrophobicContact CD2-CD2 4.35Å; L85-F106 HydrophobicContact CD2-CE1 3.79Å; L85-F106 HydrophobicContact CD2-CE2 4.45Å; L85-F106 HydrophobicContact CD2-CG 3.97Å; L85-F106 HydrophobicContact CD2-CZ 4.17Å; L85-F106 HydrophobicContact CG-CB 3.94Å; L85-F106 HydrophobicContact CG-CD1 3.7Å; L85-F106 HydrophobicContact CG-CE1 4.3Å; L85-F106 HydrophobicContact CG-CG 3.85Å; L85-D108 WeakPolarHBondContact CA-OD2 3.39Å; L85-D108 WeakPolarHBondContact CB-OD2 3.46Å; L85-D108 PolarHBondContact N-OD1 2.79Å; L85-D108 VanDerWaalsContact N-OD1 3.09Å; L85-D108 PolarHBondContact N-OD2 3.46Å; L85-T109 HydrophobicContact CD1-CG2 4.34Å; L85-F112 HydrophobicContact CB-CB 4Å; L85-F112 HydrophobicContact CB-CD1 4.04Å; L85-F112 HydrophobicContact CB-CD2 3.5Å; L85-F112 VanDerWaalsContact CB-CD2 3.5Å; L85-F112 HydrophobicContact CB-CE1 4.38Å; L85-F112 HydrophobicContact CB-CE2 3.87Å; L85-F112 HydrophobicContact CB-CG 3.57Å; L85-F112 HydrophobicContact CB-CZ 4.28Å; L85-F112 HydrophobicContact CD1-CB 3.84Å; L85-F112 HydrophobicContact CD1-CD1 3.75Å; L85-F112 HydrophobicContact CD1-CE1 4.44Å; L85-F112 HydrophobicContact CD1-CG 3.82Å; L85-F112 HydrophobicContact CG-CD1 4.41Å; L85-F112 HydrophobicContact CG-CG 4.32Å; L85-F112 WeakPolarHBondContact O-CE2 3.45Å
86	G	96.1	Very high	89.9	Confident	37 Å²	37	54.2 Å²	54.2	38%	0.381	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-55	-37.2	172	0	0	0	0	0	113.3	C84 I88 R89 D108	C84-G86 VanDerWaalsContact C-N 3.33Å; G86-I88 PolarHBondContact O-N 2.71Å; G86-R89 WeakPolarHBondContact O-CB 3.12Å; G86-R89 PolarHBondContact O-N 2.98Å; G86-R89 VanDerWaalsContact O-N 3.15Å; G86-D108 PolarHBondContact N-OD2 2.9Å
87	D	95.3	Very high	92	Very high	115 Å²	115	50.7 Å²	50.7	62%	0.615	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-63.9	-28.5	-177.9	-62	-21.4	0	0	0	112.6	C84 L85	C84-D87 WeakPolarHBondContact CB-OD2 3.2Å; L85-D87 PolarHBondContact O-N 2.79Å
88	I	94.8	Very high	93.6	Very high	18 Å²	18	49.6 Å²	49.6	9%	0.092	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-105.5	8.2	-178.4	58.3	163.6	0	0	0	112.6	I56 V80 A82 L85 G86 S90 A91 A92	I56-I88 HydrophobicContact CB-CD1 4.02Å; I56-I88 HydrophobicContact CD1-CD1 3.19Å; I56-I88 HydrophobicContact CG1-CD1 3.3Å; I56-I88 HydrophobicContact CG2-CD1 3.49Å; I56-I88 VanDerWaalsContact CG2-CD1 3.49Å; V80-I88 HydrophobicContact CG1-CG2 4.07Å; A82-I88 HydrophobicContact CB-CD1 4.37Å; A82-I88 HydrophobicContact CB-CG2 4.04Å; L85-I88 HydrophobicContact CD2-CD1 4.13Å; L85-I88 WeakPolarHBondContact O-CG1 3.33Å; L85-I88 PolarHBondContact O-N 2.81Å; G86-I88 PolarHBondContact O-N 2.71Å; I88-S90 PolarHBondContact O-N 2.81Å; I88-A91 WeakPolarHBondContact O-CB 3.27Å; I88-A91 PolarHBondContact O-N 2.84Å; I88-A92 PolarHBondContact O-N 3.04Å
89	R	95.8	Very high	94.6	Very high	94 Å²	94	41.2 Å²	41.2	36%	0.355	24%	0.241	S	C	.	.	H	α-helix	trans	-54.7	-38.6	-177.5	-175.3	177.8	173.1	-74.7	-4.5	112.4	L85 G86 A91 A92 L93 E115 M116	L85-R89 PolarHBondContact O-N 2.74Å; G86-R89 WeakPolarHBondContact O-CB 3.12Å; G86-R89 PolarHBondContact O-N 2.98Å; G86-R89 VanDerWaalsContact O-N 3.15Å; R89-A91 VanDerWaalsContact C-N 3.31Å; R89-A91 PolarHBondContact O-N 2.83Å; R89-A92 WeakPolarHBondContact O-CB 3.24Å; R89-A92 PolarHBondContact O-N 3.49Å; R89-L93 WeakPolarHBondContact O-CG 3.49Å; R89-L93 PolarHBondContact O-N 3.44Å; R89-E115 IonicContact CZ-OE1 3.16Å; R89-E115 IonicContact NE-OE1 2.86Å; R89-E115 PolarHBondContact NE-OE1 3.23Å; R89-E115 IonicContact NE-OE2 3.34Å; R89-E115 PolarHBondContact NE-OE2 2.85Å; R89-E115 IonicContact NH2-OE1 2.65Å; R89-E115 PolarHBondContact NH2-OE1 2.91Å; R89-M116 HydrophobicContact CG-CE 4.29Å
90	S	94.5	Very high	95.2	Very high	80 Å²	80	40.4 Å²	40.4	56%	0.559	24%	0.235	S	C	*	.	H	α-helix	trans	-62.5	-35	177.8	65.1	0	0	0	0	113.1	I88	I88-S90 PolarHBondContact O-N 2.81Å
91	A	93.5	Very high	95.4	Very high	40 Å²	40	39 Å²	39	33%	0.331	23%	0.225	S	C	.	.	H	α-helix	trans	-74.1	-42.1	173	0	0	0	0	0	111	L54 I88 R89 L93 K94 A95	L54-A91 HydrophobicContact CD2-CB 4.18Å; I88-A91 WeakPolarHBondContact O-CB 3.27Å; I88-A91 PolarHBondContact O-N 2.84Å; R89-A91 VanDerWaalsContact C-N 3.31Å; R89-A91 PolarHBondContact O-N 2.83Å; A91-L93 VanDerWaalsContact C-N 3.31Å; A91-L93 PolarHBondContact O-N 2.91Å; A91-K94 WeakPolarHBondContact O-CB 3.22Å; A91-K94 PolarHBondContact O-N 3.31Å; A91-K94 VanDerWaalsContact O-N 3.08Å; A91-A95 PolarHBondContact O-N 2.95Å
92	A	95.1	Very high	95.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.3	-38.3	178.1	0	0	0	0	0	112.8	L54 I88 R89 K94 A95 I98 F112 M116 K121	L54-A92 HydrophobicContact CD2-CB 3.98Å; I88-A92 PolarHBondContact O-N 3.04Å; R89-A92 WeakPolarHBondContact O-CB 3.24Å; R89-A92 PolarHBondContact O-N 3.49Å; A92-K94 PolarHBondContact O-N 3Å; A92-A95 PolarHBondContact O-N 3.27Å; A92-I98 HydrophobicContact CB-CD1 3.85Å; A92-F112 HydrophobicContact CB-CE2 4.07Å; A92-F112 HydrophobicContact CB-CZ 3.56Å; A92-M116 HydrophobicContact CB-SD 4.06Å; A92-K121 WeakPolarHBondContact O-CE 3.46Å; A92-K121 PolarHBondContact O-NZ 3.44Å
93	L	94.7	Very high	95.7	Very high	57 Å²	57	35.8 Å²	35.8	30%	0.298	20%	0.203	S	C	.	.	H	α-helix	trans	-58.8	-31.5	174.9	-76.4	178.5	0	0	0	113.2	R89 A91 A95 M116 L119 K121	R89-L93 WeakPolarHBondContact O-CG 3.49Å; R89-L93 PolarHBondContact O-N 3.44Å; A91-L93 VanDerWaalsContact C-N 3.31Å; A91-L93 PolarHBondContact O-N 2.91Å; L93-A95 VanDerWaalsContact C-N 3.34Å; L93-M116 HydrophobicContact CD2-CE 4.25Å; L93-M116 HydrophobicContact CD2-SD 4.46Å; L93-L119 HydrophobicContact CD2-CD1 3.69Å; L93-K121 PolarHBondContact O-NZ 3.26Å
94	K	92.1	Very high	95.9	Very high	156 Å²	156	33.2 Å²	33.2	68%	0.678	19%	0.186	S	C	*	.	H	α-helix	trans	-83.1	-11.9	179.1	-60.2	173	-173.2	176.6	0	113.1	K52 A91 A92	K52-K94 WeakPolarHBondContact CD-O 3.42Å; A91-K94 WeakPolarHBondContact O-CB 3.22Å; A91-K94 PolarHBondContact O-N 3.31Å; A91-K94 VanDerWaalsContact O-N 3.08Å; A92-K94 PolarHBondContact O-N 3Å
95	A	92.5	Very high	95.9	Very high	6 Å²	6	32.6 Å²	32.6	5%	0.05	18%	0.179	C	C	.	.			trans	-93.6	156.8	179.9	0	0	0	0	0	112.1	L54 A91 A92 L93 I98 K121	L54-A95 HydrophobicContact CB-CB 3.72Å; A91-A95 PolarHBondContact O-N 2.95Å; A92-A95 PolarHBondContact O-N 3.27Å; L93-A95 VanDerWaalsContact C-N 3.34Å; A95-I98 HydrophobicContact CB-CG1 4.21Å; A95-K121 PolarHBondContact O-NZ 2.96Å
96	C	93.8	Very high	95.9	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.027	18%	0.179	C	C	.	.	S	Bend	trans	-99.1	-36.7	173.4	-74.8	0	0	0	0	113.3	C9 Y51 K52 T122	C9-C96 WeakPolarHBondContact CA-SG 3.37Å; C9-C96 HydrophobicContact CB-CB 4.12Å; C9-C96 WeakPolarHBondContact CB-SG 3.34Å; C9-C96 WeakPolarHBondContact SG-CA 3.4Å; C9-C96 WeakPolarHBondContact SG-CB 3.24Å; C9-C96 CovalentContact SG-SG 2.02Å; C9-C96 PolarHBondContact SG-SG 2.64Å; Y51-C96 HydrophobicContact CD1-CB 3.85Å; K52-C96 WeakPolarHBondContact O-CA 3.28Å; K52-C96 WeakPolarHBondContact O-CB 3.26Å; K52-C96 PolarHBondContact O-N 3.46Å; C96-T122 PolarHBondContact O-N 3.04Å
97	V	96.3	Very high	95.9	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	127.7	-179.5	-174.6	0	0	0	0	107.3	V43 F46 K52 C53 L54 T122 I124	V43-V97 HydrophobicContact CG2-CG1 4.42Å; F46-V97 HydrophobicContact CB-CB 4.38Å; F46-V97 HydrophobicContact CB-CG1 4.5Å; F46-V97 HydrophobicContact CB-CG2 3.66Å; F46-V97 HydrophobicContact CD1-CG2 3.76Å; F46-V97 HydrophobicContact CD2-CG1 3.97Å; F46-V97 HydrophobicContact CD2-CG2 4.02Å; F46-V97 HydrophobicContact CE1-CG2 4.36Å; F46-V97 HydrophobicContact CE2-CG1 4.46Å; F46-V97 HydrophobicContact CG-CB 4.47Å; F46-V97 HydrophobicContact CG-CG1 4.33Å; F46-V97 HydrophobicContact CG-CG2 3.57Å; K52-V97 PolarHBondContact O-N 2.86Å; C53-V97 CarbonylContact C-O 3.3Å; C53-V97 VanDerWaalsContact CA-O 3.31Å; C53-V97 WeakPolarHBondContact CA-O 3.31Å; L54-V97 PolarHBondContact N-O 2.76Å; V97-T122 CarbonylContact C-O 3.52Å; V97-T122 VanDerWaalsContact CA-O 3.26Å; V97-T122 WeakPolarHBondContact CA-O 3.44Å; V97-T122 HydrophobicContact CG1-CG2 4.27Å; V97-I124 HydrophobicContact CG1-CD1 4.12Å; V97-I124 HydrophobicContact CG1-CG1 4.5Å
98	I	98	Very high	96.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	115.5	-178.7	-58.9	163.7	0	0	0	107.2	L54 I56 A92 A95 I100 F112 M116 K121 T122 V123 I124	L54-I98 CarbonylContact O-C 3.57Å; L54-I98 WeakPolarHBondContact O-CA 3.42Å; I56-I98 HydrophobicContact CD1-CG2 3.49Å; I56-I98 VanDerWaalsContact CD1-CG2 3.49Å; A92-I98 HydrophobicContact CB-CD1 3.85Å; A95-I98 HydrophobicContact CB-CG1 4.21Å; I98-I100 HydrophobicContact CG2-CG1 4.11Å; I98-F112 HydrophobicContact CD1-CE1 4.45Å; I98-F112 HydrophobicContact CG2-CE1 4.18Å; I98-M116 HydrophobicContact CD1-CB 3.95Å; I98-M116 HydrophobicContact CD1-CG 3.73Å; I98-M116 HydrophobicContact CD1-SD 4.05Å; I98-K121 HydrophobicContact CD1-CB 4.41Å; I98-K121 HydrophobicContact CD1-CD 3.57Å; I98-T122 PolarHBondContact N-O 3.06Å; I98-V123 CarbonylContact O-C 3.53Å; I98-V123 WeakPolarHBondContact O-CA 3.23Å; I98-I124 PolarHBondContact O-N 2.79Å
99	G	98.3	Very high	96.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	128.4	170.7	0	0	0	0	0	110.4	L54 V55 I56 I124	L54-G99 PolarHBondContact O-N 3.33Å; V55-G99 CarbonylContact C-O 3.55Å; V55-G99 WeakPolarHBondContact CA-O 3.43Å; I56-G99 PolarHBondContact N-O 3.36Å; G99-I124 CarbonylContact C-O 3.59Å; G99-I124 WeakPolarHBondContact CA-O 3.38Å
100	I	98.4	Very high	96.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	113.5	177	-56.7	171.9	0	0	0	107.3	I56 L85 I98 F106 F112 V123 I124 V125 A126	I56-I100 HydrophobicContact CD1-CG1 3.98Å; L85-I100 HydrophobicContact CD1-CD1 3.9Å; L85-I100 HydrophobicContact CD2-CD1 4.3Å; L85-I100 HydrophobicContact CD2-CG1 4.47Å; L85-I100 HydrophobicContact CD2-CG2 4.31Å; I98-I100 HydrophobicContact CG2-CG1 4.11Å; I100-F106 HydrophobicContact CG2-CD2 4.08Å; I100-F106 HydrophobicContact CG2-CE2 3.95Å; I100-F112 HydrophobicContact CD1-CD1 4Å; I100-F112 HydrophobicContact CD1-CE1 4.03Å; I100-V123 HydrophobicContact CD1-CG1 4.08Å; I100-I124 PolarHBondContact N-O 2.85Å; I100-V125 HydrophobicContact CB-CG1 4.44Å; I100-V125 HydrophobicContact CB-CG2 4.49Å; I100-V125 HydrophobicContact CD1-CG2 4.29Å; I100-V125 WeakPolarHBondContact O-CA 3.46Å; I100-A126 PolarHBondContact O-N 2.7Å
101	D	97.2	Very high	96.5	Very high	26 Å²	26	28.5 Å²	28.5	14%	0.139	15%	0.151	C	C	.	.	S	Bend	trans	-94.7	146.9	172.9	-158.8	16.8	0	0	0	111.1	S36 L39 I56 G103	S36-D101 WeakPolarHBondContact CB-OD2 3.34Å; S36-D101 VanDerWaalsContact OG-CG 3.24Å; S36-D101 PolarHBondContact OG-OD1 3.08Å; S36-D101 PolarHBondContact OG-OD2 3.27Å; L39-D101 HydrophobicContact CD2-CB 3.71Å; I56-D101 PolarHBondContact O-N 3.17Å; D101-G103 VanDerWaalsContact C-N 3.25Å; D101-G103 PolarHBondContact O-N 2.98Å
102	E	96.8	Very high	96.8	Very high	17 Å²	17	27 Å²	27	8%	0.079	14%	0.137	C	C	.	.	S	Bend	trans	52.5	42.6	-174.5	-55.4	-73.5	-166.2	0	0	112.9	R63 Q104 F105 A126	R63-E102 IonicContact NH2-OE1 2.78Å; R63-E102 PolarHBondContact NH2-OE1 2.98Å; E102-Q104 VanDerWaalsContact C-OE1 3.3Å; E102-Q104 PolarHBondContact O-N 3.18Å; E102-Q104 PolarHBondContact OE2-NE2 3.08Å; E102-F105 HydrophobicContact CB-CD2 3.65Å; E102-F105 HydrophobicContact CB-CE2 3.99Å; E102-F105 HydrophobicContact CG-CE2 4.42Å; E102-F105 PolarHBondContact O-N 3.44Å; E102-A126 PolarHBondContact N-O 3.17Å; E102-A126 VanDerWaalsContact N-O 3.1Å
103	G	97.7	Very high	97	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-51.7	-28.8	-174.6	0	0	0	0	0	114.5	D101 F105 F106 T109 A126	D101-G103 VanDerWaalsContact C-N 3.25Å; D101-G103 PolarHBondContact O-N 2.98Å; G103-F105 PolarHBondContact O-N 3.27Å; G103-F106 PolarHBondContact O-N 3.48Å; G103-T109 PolarHBondContact O-OG1 3.34Å; G103-A126 PolarHBondContact N-O 3.05Å
104	Q	98	Very high	97.1	Very high	7 Å²	7	27.1 Å²	27.1	3%	0.033	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-62	-16.3	178.9	74.9	-77.8	-13	0	0	114.9	E102 A127 L128 F137 I140	E102-Q104 VanDerWaalsContact C-OE1 3.3Å; E102-Q104 PolarHBondContact O-N 3.18Å; E102-Q104 PolarHBondContact OE2-NE2 3.08Å; Q104-A127 HydrophobicContact CB-CB 4.42Å; Q104-L128 HydrophobicContact CG-CB 4.2Å; Q104-F137 HydrophobicContact CB-CB 3.98Å; Q104-F137 HydrophobicContact CB-CD1 3.52Å; Q104-F137 HydrophobicContact CB-CD2 4.4Å; Q104-F137 HydrophobicContact CB-CE1 4.11Å; Q104-F137 HydrophobicContact CB-CG 3.71Å; Q104-F137 HydrophobicContact CG-CB 4.36Å; Q104-F137 HydrophobicContact CG-CD1 3.44Å; Q104-F137 VanDerWaalsContact CG-CD1 3.44Å; Q104-F137 HydrophobicContact CG-CD2 3.84Å; Q104-F137 HydrophobicContact CG-CE1 3.57Å; Q104-F137 HydrophobicContact CG-CE2 3.96Å; Q104-F137 HydrophobicContact CG-CG 3.61Å; Q104-F137 HydrophobicContact CG-CZ 3.84Å; Q104-I140 HydrophobicContact CB-CB 4.31Å; Q104-I140 HydrophobicContact CB-CG1 4.47Å; Q104-I140 HydrophobicContact CB-CG2 4.45Å
105	F	97.1	Very high	97.4	Very high	26 Å²	26	22.9 Å²	22.9	11%	0.114	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-89.2	-12.5	179.5	-66.8	-55	0	0	0	114.1	Y58 E102 G103 F137 E177 I179	Y58-F105 HydrophobicContact CD1-CB 3.71Å; Y58-F105 AromaticContact CD1-CD2 3.53Å; Y58-F105 HydrophobicContact CD1-CD2 3.53Å; Y58-F105 HydrophobicContact CD1-CE2 4.27Å; Y58-F105 AromaticContact CD1-CG 3.7Å; Y58-F105 HydrophobicContact CD1-CG 3.7Å; Y58-F105 HydrophobicContact CD2-CB 3.54Å; Y58-F105 HydrophobicContact CD2-CG 4.43Å; Y58-F105 HydrophobicContact CE1-CB 3.77Å; Y58-F105 HydrophobicContact CE1-CD1 4.24Å; Y58-F105 HydrophobicContact CE1-CD2 4.08Å; Y58-F105 AromaticContact CE1-CG 3.81Å; Y58-F105 HydrophobicContact CE1-CG 3.81Å; Y58-F105 HydrophobicContact CE2-CB 3.61Å; Y58-F105 HydrophobicContact CG-CB 3.59Å; Y58-F105 AromaticContact CG-CD2 3.87Å; Y58-F105 HydrophobicContact CG-CD2 3.87Å; Y58-F105 HydrophobicContact CG-CG 4.02Å; E102-F105 HydrophobicContact CB-CD2 3.65Å; E102-F105 HydrophobicContact CB-CE2 3.99Å; E102-F105 HydrophobicContact CG-CE2 4.42Å; E102-F105 PolarHBondContact O-N 3.44Å; G103-F105 PolarHBondContact O-N 3.27Å; F105-F137 HydrophobicContact CD1-CE1 4.09Å; F105-F137 HydrophobicContact CD1-CZ 4.12Å; F105-F137 HydrophobicContact CE1-CE1 4.01Å; F105-F137 AromaticContact CE1-CZ 3.56Å; F105-F137 HydrophobicContact CE1-CZ 3.56Å; F105-F137 HydrophobicContact CZ-CZ 4.23Å; F105-E177 HydrophobicContact CD1-CG 4.18Å; F105-E177 HydrophobicContact CE1-CB 4.39Å; F105-E177 HydrophobicContact CE1-CG 3.82Å; F105-I179 HydrophobicContact CE1-CD1 4.43Å; F105-I179 HydrophobicContact CE2-CD1 4.2Å; F105-I179 HydrophobicContact CZ-CD1 3.87Å
106	F	97.8	Very high	97.7	Very high	1 Å²	1	22.6 Å²	22.6	0%	0.004	12%	0.116	C	C	.	.			trans	-91.9	120.2	178.9	-59.5	-91.8	0	0	0	109.7	I56 Y58 A82 L85 I100 G103 D108 T109	I56-F106 HydrophobicContact CG2-CE1 4.31Å; I56-F106 HydrophobicContact CG2-CZ 3.95Å; Y58-F106 HydrophobicContact CD2-CE1 4.2Å; Y58-F106 HydrophobicContact CD2-CE2 4.35Å; Y58-F106 HydrophobicContact CD2-CZ 4.11Å; A82-F106 HydrophobicContact CB-CE1 4Å; A82-F106 VanDerWaalsContact O-CE1 3.23Å; A82-F106 WeakPolarHBondContact O-CE1 3.38Å; L85-F106 HydrophobicContact CD1-CB 4.01Å; L85-F106 HydrophobicContact CD1-CG 4.26Å; L85-F106 HydrophobicContact CD2-CD1 3.69Å; L85-F106 HydrophobicContact CD2-CD2 4.35Å; L85-F106 HydrophobicContact CD2-CE1 3.79Å; L85-F106 HydrophobicContact CD2-CE2 4.45Å; L85-F106 HydrophobicContact CD2-CG 3.97Å; L85-F106 HydrophobicContact CD2-CZ 4.17Å; L85-F106 HydrophobicContact CG-CB 3.94Å; L85-F106 HydrophobicContact CG-CD1 3.7Å; L85-F106 HydrophobicContact CG-CE1 4.3Å; L85-F106 HydrophobicContact CG-CG 3.85Å; I100-F106 HydrophobicContact CG2-CD2 4.08Å; I100-F106 HydrophobicContact CG2-CE2 3.95Å; G103-F106 PolarHBondContact O-N 3.48Å; F106-D108 PolarHBondContact O-N 2.85Å; F106-T109 VanDerWaalsContact CB-OG1 3.26Å; F106-T109 WeakPolarHBondContact CB-OG1 3.39Å; F106-T109 PolarHBondContact O-N 3.29Å; F106-T109 PolarHBondContact O-OG1 2.65Å
107	P	96.9	Very high	97.8	Very high	88 Å²	88	23 Å²	23	57%	0.571	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-27.3	-176.9	27.5	-34.4	0	0	0	112.6	N139	P107-N139 PolarHBondContact O-ND2 3.26Å
108	D	98.1	Very high	97.8	Very high	31 Å²	31	28.5 Å²	28.5	17%	0.166	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	15.3	-175.6	62.4	-31.3	0	0	0	113.4	C84 L85 G86 F106 V110 F112	C84-D108 PolarHBondContact SG-OD2 3.21Å; L85-D108 WeakPolarHBondContact CA-OD2 3.39Å; L85-D108 WeakPolarHBondContact CB-OD2 3.46Å; L85-D108 PolarHBondContact N-OD1 2.79Å; L85-D108 VanDerWaalsContact N-OD1 3.09Å; L85-D108 PolarHBondContact N-OD2 3.46Å; G86-D108 PolarHBondContact N-OD2 2.9Å; F106-D108 PolarHBondContact O-N 2.85Å; D108-V110 VanDerWaalsContact C-N 3.31Å; D108-V110 PolarHBondContact O-N 2.86Å; D108-F112 WeakPolarHBondContact O-CB 3.23Å; D108-F112 PolarHBondContact O-N 3.38Å
109	T	98.4	Very high	97.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-56.7	-44	-177	-51.1	0	0	0	0	112.7	L85 G103 F106 C113 V125 I140 L143	L85-T109 HydrophobicContact CD1-CG2 4.34Å; G103-T109 PolarHBondContact O-OG1 3.34Å; F106-T109 VanDerWaalsContact CB-OG1 3.26Å; F106-T109 WeakPolarHBondContact CB-OG1 3.39Å; F106-T109 PolarHBondContact O-N 3.29Å; F106-T109 PolarHBondContact O-OG1 2.65Å; T109-C113 WeakPolarHBondContact O-CB 3.33Å; T109-C113 PolarHBondContact O-N 3.09Å; T109-C113 PolarHBondContact O-SG 2.77Å; T109-V125 HydrophobicContact CG2-CG1 4.36Å; T109-I140 HydrophobicContact CG2-CD1 3.88Å; T109-L143 HydrophobicContact CG2-CD1 3.92Å
110	V	98.6	Very high	97.5	Very high	17 Å²	17	32 Å²	32	10%	0.103	17%	0.17	C	C	.	.	H	α-helix	trans	-66.7	-53.4	-172	-178.8	0	0	0	0	109.8	D108 F112 C113 E114 N139 N142 L143 L146	D108-V110 VanDerWaalsContact C-N 3.31Å; D108-V110 PolarHBondContact O-N 2.86Å; V110-F112 PolarHBondContact O-N 3.3Å; V110-C113 PolarHBondContact O-N 2.92Å; V110-E114 WeakPolarHBondContact O-CB 3.28Å; V110-E114 PolarHBondContact O-N 2.92Å; V110-E114 VanDerWaalsContact O-N 3.1Å; V110-N139 HydrophobicContact CG2-CB 4.26Å; V110-N139 WeakPolarHBondContact CG2-O 3.33Å; V110-N142 HydrophobicContact CG1-CB 4.27Å; V110-N142 HydrophobicContact CG2-CB 3.95Å; V110-L143 HydrophobicContact CB-CD2 4.43Å; V110-L143 HydrophobicContact CG1-CD2 4.41Å; V110-L143 HydrophobicContact CG2-CD2 4.48Å; V110-L143 HydrophobicContact CG2-CG 4.25Å; V110-L146 HydrophobicContact CG1-CD1 3.92Å
111	E	98.4	Very high	97.4	Very high	121 Å²	121	32.1 Å²	32.1	57%	0.565	17%	0.171	S	C	*	.	H	α-helix	trans	-62.4	-43.4	-179.3	-61.6	78.1	-170.9	0	0	111	E115	E111-E115 WeakPolarHBondContact O-CB 3.45Å; E111-E115 PolarHBondContact O-N 3.33Å
112	F	98.6	Very high	97.4	Very high	7 Å²	7	31.6 Å²	31.6	3%	0.031	17%	0.169	C	C	.	.	H	α-helix	trans	-63.8	-45.5	178.8	-179.4	-88	0	0	0	112.4	L85 A92 I98 I100 D108 V110 E115 M116	L85-F112 HydrophobicContact CB-CB 4Å; L85-F112 HydrophobicContact CB-CD1 4.04Å; L85-F112 HydrophobicContact CB-CD2 3.5Å; L85-F112 VanDerWaalsContact CB-CD2 3.5Å; L85-F112 HydrophobicContact CB-CE1 4.38Å; L85-F112 HydrophobicContact CB-CE2 3.87Å; L85-F112 HydrophobicContact CB-CG 3.57Å; L85-F112 HydrophobicContact CB-CZ 4.28Å; L85-F112 HydrophobicContact CD1-CB 3.84Å; L85-F112 HydrophobicContact CD1-CD1 3.75Å; L85-F112 HydrophobicContact CD1-CE1 4.44Å; L85-F112 HydrophobicContact CD1-CG 3.82Å; L85-F112 HydrophobicContact CG-CD1 4.41Å; L85-F112 HydrophobicContact CG-CG 4.32Å; L85-F112 WeakPolarHBondContact O-CE2 3.45Å; A92-F112 HydrophobicContact CB-CE2 4.07Å; A92-F112 HydrophobicContact CB-CZ 3.56Å; I98-F112 HydrophobicContact CD1-CE1 4.45Å; I98-F112 HydrophobicContact CG2-CE1 4.18Å; I100-F112 HydrophobicContact CD1-CD1 4Å; I100-F112 HydrophobicContact CD1-CE1 4.03Å; D108-F112 WeakPolarHBondContact O-CB 3.23Å; D108-F112 PolarHBondContact O-N 3.38Å; V110-F112 PolarHBondContact O-N 3.3Å; F112-E115 PolarHBondContact O-N 2.81Å; F112-M116 HydrophobicContact CD1-CG 4.07Å; F112-M116 HydrophobicContact CD2-CG 4.47Å; F112-M116 HydrophobicContact CE1-CG 3.75Å; F112-M116 HydrophobicContact CE2-CG 4.2Å; F112-M116 HydrophobicContact CG-CG 4.43Å; F112-M116 HydrophobicContact CZ-CG 3.84Å; F112-M116 HydrophobicContact CZ-SD 4.47Å; F112-M116 WeakPolarHBondContact O-CB 3.46Å; F112-M116 VanDerWaalsContact O-CG 3.24Å; F112-M116 WeakPolarHBondContact O-CG 3.11Å; F112-M116 PolarHBondContact O-N 3.5Å
113	C	98.6	Very high	97.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.5	-44.5	-179.3	-68.6	0	0	0	0	111.4	I24 T109 V110 M116 A117 V123 V125 L143	I24-C113 HydrophobicContact CD1-CB 3.96Å; I24-C113 HydrophobicContact CG1-CB 4.33Å; T109-C113 WeakPolarHBondContact O-CB 3.33Å; T109-C113 PolarHBondContact O-N 3.09Å; T109-C113 PolarHBondContact O-SG 2.77Å; V110-C113 PolarHBondContact O-N 2.92Å; C113-M116 PolarHBondContact O-N 2.78Å; C113-A117 VanDerWaalsContact O-CB 3.27Å; C113-A117 WeakPolarHBondContact O-CB 3.31Å; C113-A117 PolarHBondContact O-N 3.04Å; C113-V123 HydrophobicContact CB-CG1 4.14Å; C113-V125 VanDerWaalsContact SG-CG2 3.59Å; C113-L143 HydrophobicContact CB-CD2 3.63Å
114	E	98.3	Very high	97.6	Very high	60 Å²	60	30.8 Å²	30.8	28%	0.28	17%	0.165	S	C	.	.	H	α-helix	trans	-62.5	-46.1	178.3	-175.5	59.1	-158	0	0	111.3	V110 A117 N118 L146	V110-E114 WeakPolarHBondContact O-CB 3.28Å; V110-E114 PolarHBondContact O-N 2.92Å; V110-E114 VanDerWaalsContact O-N 3.1Å; E114-A117 PolarHBondContact O-N 2.77Å; E114-N118 WeakPolarHBondContact O-CB 3.33Å; E114-N118 PolarHBondContact O-N 3.1Å; E114-N118 PolarHBondContact O-ND2 2.92Å; E114-N118 PolarHBondContact OE1-ND2 3.1Å; E114-L146 HydrophobicContact CB-CD1 4.28Å; E114-L146 HydrophobicContact CG-CD1 4.47Å
115	E	97.9	Very high	97.6	Very high	68 Å²	68	30.4 Å²	30.4	32%	0.318	16%	0.163	S	C	.	.	H	α-helix	trans	-58.7	-51.9	176.3	-170.6	-162.1	165.6	0	0	111.2	R89 E111 F112 A117 N118 L119	R89-E115 IonicContact CZ-OE1 3.16Å; R89-E115 IonicContact NE-OE1 2.86Å; R89-E115 PolarHBondContact NE-OE1 3.23Å; R89-E115 IonicContact NE-OE2 3.34Å; R89-E115 PolarHBondContact NE-OE2 2.85Å; R89-E115 IonicContact NH2-OE1 2.65Å; R89-E115 PolarHBondContact NH2-OE1 2.91Å; E111-E115 WeakPolarHBondContact O-CB 3.45Å; E111-E115 PolarHBondContact O-N 3.33Å; F112-E115 PolarHBondContact O-N 2.81Å; E115-A117 PolarHBondContact O-N 2.77Å; E115-N118 PolarHBondContact O-N 2.9Å; E115-L119 HydrophobicContact CG-CD1 4.28Å; E115-L119 WeakPolarHBondContact O-CG 3.37Å; E115-L119 PolarHBondContact O-N 2.8Å
116	M	97.8	Very high	97.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.4	-38.5	-176.4	-70.2	-56.1	108.2	0	0	112.2	R89 A92 L93 I98 F112 C113 L119 G120 K121 V123	R89-M116 HydrophobicContact CG-CE 4.29Å; A92-M116 HydrophobicContact CB-SD 4.06Å; L93-M116 HydrophobicContact CD2-CE 4.25Å; L93-M116 HydrophobicContact CD2-SD 4.46Å; I98-M116 HydrophobicContact CD1-CB 3.95Å; I98-M116 HydrophobicContact CD1-CG 3.73Å; I98-M116 HydrophobicContact CD1-SD 4.05Å; F112-M116 HydrophobicContact CD1-CG 4.07Å; F112-M116 HydrophobicContact CD2-CG 4.47Å; F112-M116 HydrophobicContact CE1-CG 3.75Å; F112-M116 HydrophobicContact CE2-CG 4.2Å; F112-M116 HydrophobicContact CG-CG 4.43Å; F112-M116 HydrophobicContact CZ-CG 3.84Å; F112-M116 HydrophobicContact CZ-SD 4.47Å; F112-M116 WeakPolarHBondContact O-CB 3.46Å; F112-M116 VanDerWaalsContact O-CG 3.24Å; F112-M116 WeakPolarHBondContact O-CG 3.11Å; F112-M116 PolarHBondContact O-N 3.5Å; C113-M116 PolarHBondContact O-N 2.78Å; M116-L119 HydrophobicContact CE-CD1 3.77Å; M116-L119 PolarHBondContact O-N 2.96Å; M116-L119 HydrophobicContact SD-CD1 4.43Å; M116-G120 PolarHBondContact O-N 3.04Å; M116-K121 HydrophobicContact CB-CB 4.45Å; M116-K121 HydrophobicContact CB-CD 4.12Å; M116-K121 HydrophobicContact CG-CD 4.41Å; M116-K121 WeakPolarHBondContact O-CB 3.43Å; M116-K121 WeakPolarHBondContact O-CG 3.49Å; M116-K121 PolarHBondContact O-N 2.74Å; M116-K121 HydrophobicContact SD-CD 3.78Å; M116-V123 HydrophobicContact CB-CG2 3.7Å
117	A	97.6	Very high	97.7	Very high	11 Å²	11	29.1 Å²	29.1	9%	0.091	16%	0.158	C	C	.	.	H	α-helix	trans	-65.8	-43	174.8	0	0	0	0	0	111.6	G22 I24 C113 E114 E115 L119 G120	G22-A117 WeakPolarHBondContact CA-O 3.31Å; I24-A117 HydrophobicContact CD1-CB 4.11Å; I24-A117 HydrophobicContact CG1-CB 3.64Å; C113-A117 VanDerWaalsContact O-CB 3.27Å; C113-A117 WeakPolarHBondContact O-CB 3.31Å; C113-A117 PolarHBondContact O-N 3.04Å; E114-A117 PolarHBondContact O-N 2.77Å; E115-A117 PolarHBondContact O-N 2.77Å; A117-L119 PolarHBondContact O-N 3.28Å; A117-G120 WeakPolarHBondContact O-CA 3.44Å; A117-G120 PolarHBondContact O-N 3.24Å
118	N	96.4	Very high	97.8	Very high	118 Å²	118	25.6 Å²	25.6	63%	0.631	13%	0.134	S	C	*	.	H	α-helix	trans	-62.8	-28	174.7	-77.4	-43.9	0	0	0	113	E114 E115 G120	E114-N118 WeakPolarHBondContact O-CB 3.33Å; E114-N118 PolarHBondContact O-N 3.1Å; E114-N118 PolarHBondContact O-ND2 2.92Å; E114-N118 PolarHBondContact OE1-ND2 3.1Å; E115-N118 PolarHBondContact O-N 2.9Å; N118-G120 PolarHBondContact O-N 2.8Å
119	L	95.1	Very high	97.7	Very high	60 Å²	60	25.9 Å²	25.9	31%	0.314	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	7.2	170.1	-66.8	172.9	0	0	0	114	L93 E115 M116 A117	L93-L119 HydrophobicContact CD2-CD1 3.69Å; E115-L119 HydrophobicContact CG-CD1 4.28Å; E115-L119 WeakPolarHBondContact O-CG 3.37Å; E115-L119 PolarHBondContact O-N 2.8Å; M116-L119 HydrophobicContact CE-CD1 3.77Å; M116-L119 PolarHBondContact O-N 2.96Å; M116-L119 HydrophobicContact SD-CD1 4.43Å; A117-L119 PolarHBondContact O-N 3.28Å
120	G	94.6	Very high	97.7	Very high	13 Å²	13	26.5 Å²	26.5	13%	0.134	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	14.2	174.4	0	0	0	0	0	115	M116 A117 N118	M116-G120 PolarHBondContact O-N 3.04Å; A117-G120 WeakPolarHBondContact O-CA 3.44Å; A117-G120 PolarHBondContact O-N 3.24Å; N118-G120 PolarHBondContact O-N 2.8Å
121	K	95.5	Very high	97.6	Very high	3 Å²	3	26.1 Å²	26.1	1%	0.013	14%	0.14	C	C	.	.			trans	-89.2	152.3	-179.4	-52.1	-176	-175.1	-59.7	0	111.6	G22 Q23 A92 L93 A95 I98 M116	G22-K121 CarbonylContact C-O 3.53Å; G22-K121 WeakPolarHBondContact CA-O 3.4Å; Q23-K121 PolarHBondContact N-O 3.14Å; A92-K121 WeakPolarHBondContact O-CE 3.46Å; A92-K121 PolarHBondContact O-NZ 3.44Å; L93-K121 PolarHBondContact O-NZ 3.26Å; A95-K121 PolarHBondContact O-NZ 2.96Å; I98-K121 HydrophobicContact CD1-CB 4.41Å; I98-K121 HydrophobicContact CD1-CD 3.57Å; M116-K121 HydrophobicContact CB-CB 4.45Å; M116-K121 HydrophobicContact CB-CD 4.12Å; M116-K121 HydrophobicContact CG-CD 4.41Å; M116-K121 WeakPolarHBondContact O-CB 3.43Å; M116-K121 WeakPolarHBondContact O-CG 3.49Å; M116-K121 PolarHBondContact O-N 2.74Å; M116-K121 HydrophobicContact SD-CD 3.78Å
122	T	97.7	Very high	97.5	Very high	15 Å²	15	22.1 Å²	22.1	9%	0.092	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	113.7	167	-67.2	0	0	0	0	108.8	Q23 F46 C96 V97 I98 I124	Q23-T122 HydrophobicContact CG-CG2 3.81Å; Q23-T122 PolarHBondContact NE2-OG1 3.46Å; Q23-T122 VanDerWaalsContact NE2-OG1 3.14Å; F46-T122 HydrophobicContact CE2-CG2 4.13Å; F46-T122 HydrophobicContact CZ-CG2 4.02Å; C96-T122 PolarHBondContact O-N 3.04Å; V97-T122 CarbonylContact C-O 3.52Å; V97-T122 VanDerWaalsContact CA-O 3.26Å; V97-T122 WeakPolarHBondContact CA-O 3.44Å; V97-T122 HydrophobicContact CG1-CG2 4.27Å; I98-T122 PolarHBondContact N-O 3.06Å; T122-I124 HydrophobicContact CG2-CD1 4.22Å; T122-I124 HydrophobicContact CG2-CG1 3.95Å
123	V	98.6	Very high	97.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.3	177.8	-170.3	0	0	0	0	108.7	Q23 I24 Q25 I98 I100 C113 M116 V125	Q23-V123 PolarHBondContact O-N 2.92Å; I24-V123 CarbonylContact C-O 3.52Å; I24-V123 WeakPolarHBondContact CA-O 3.44Å; Q25-V123 PolarHBondContact N-O 2.98Å; I98-V123 CarbonylContact O-C 3.53Å; I98-V123 WeakPolarHBondContact O-CA 3.23Å; I100-V123 HydrophobicContact CD1-CG1 4.08Å; C113-V123 HydrophobicContact CB-CG1 4.14Å; M116-V123 HydrophobicContact CB-CG2 3.7Å; V123-V125 HydrophobicContact CG1-CG2 4.07Å
124	I	98.7	Very high	97.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	117.3	-179.3	-46.6	-178.2	0	0	0	107.7	Q25 I27 L39 R42 V43 F46 V97 I98 G99 I100 T122	Q25-I124 HydrophobicContact CB-CG1 4.4Å; Q25-I124 HydrophobicContact CB-CG2 4.2Å; Q25-I124 CarbonylContact O-C 3.56Å; Q25-I124 WeakPolarHBondContact O-CA 3.5Å; I27-I124 HydrophobicContact CD1-CG2 3.84Å; L39-I124 HydrophobicContact CD1-CB 3.72Å; L39-I124 HydrophobicContact CD1-CG2 3.5Å; L39-I124 VanDerWaalsContact CD1-CG2 3.5Å; L39-I124 VanDerWaalsContact CD1-O 3.28Å; L39-I124 WeakPolarHBondContact CD1-O 3.38Å; R42-I124 HydrophobicContact CB-CD1 3.69Å; V43-I124 HydrophobicContact CG2-CD1 4.19Å; F46-I124 HydrophobicContact CE2-CD1 4.27Å; V97-I124 HydrophobicContact CG1-CD1 4.12Å; V97-I124 HydrophobicContact CG1-CG1 4.5Å; I98-I124 PolarHBondContact O-N 2.79Å; G99-I124 CarbonylContact C-O 3.59Å; G99-I124 WeakPolarHBondContact CA-O 3.38Å; I100-I124 PolarHBondContact N-O 2.85Å; T122-I124 HydrophobicContact CG2-CD1 4.22Å; T122-I124 HydrophobicContact CG2-CG1 3.95Å
125	V	98.8	Very high	97.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	120.2	-174.1	-171.5	0	0	0	0	109.3	Q25 I26 I27 I100 T109 C113 V123 A127 I140 L143	Q25-V125 PolarHBondContact O-N 3.01Å; I26-V125 CarbonylContact C-O 3.59Å; I26-V125 WeakPolarHBondContact CA-O 3.44Å; I27-V125 PolarHBondContact N-O 2.87Å; I100-V125 HydrophobicContact CB-CG1 4.44Å; I100-V125 HydrophobicContact CB-CG2 4.49Å; I100-V125 HydrophobicContact CD1-CG2 4.29Å; I100-V125 WeakPolarHBondContact O-CA 3.46Å; T109-V125 HydrophobicContact CG2-CG1 4.36Å; C113-V125 VanDerWaalsContact SG-CG2 3.59Å; V123-V125 HydrophobicContact CG1-CG2 4.07Å; V125-A127 HydrophobicContact CG1-CB 4.36Å; V125-I140 HydrophobicContact CG1-CD1 4.25Å; V125-L143 HydrophobicContact CB-CD1 4.47Å; V125-L143 HydrophobicContact CG1-CD1 4.27Å; V125-L143 HydrophobicContact CG2-CD1 4.2Å
126	A	98.6	Very high	97.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.1	164.5	0	0	0	0	0	109.1	I27 K35 L39 I100 E102 G103	I27-A126 WeakPolarHBondContact O-CA 3.43Å; K35-A126 HydrophobicContact CB-CB 3.95Å; L39-A126 HydrophobicContact CB-CB 3.98Å; L39-A126 HydrophobicContact CD2-CB 4Å; L39-A126 HydrophobicContact CG-CB 4.47Å; I100-A126 PolarHBondContact O-N 2.7Å; E102-A126 PolarHBondContact N-O 3.17Å; E102-A126 VanDerWaalsContact N-O 3.1Å; G103-A126 PolarHBondContact N-O 3.05Å
127	A	98.5	Very high	97.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.			trans	-154	159.1	-178.4	0	0	0	0	0	113.4	I27 F28 K35 Q104 V125 I140	I27-A127 PolarHBondContact O-N 3.25Å; F28-A127 WeakPolarHBondContact CA-O 3.2Å; F28-A127 HydrophobicContact CD1-CB 4.34Å; F28-A127 HydrophobicContact CE1-CB 4.25Å; K35-A127 WeakPolarHBondContact CD-O 3.42Å; K35-A127 WeakPolarHBondContact CE-O 3.31Å; Q104-A127 HydrophobicContact CB-CB 4.42Å; V125-A127 HydrophobicContact CG1-CB 4.36Å; A127-I140 HydrophobicContact CB-CD1 3.92Å; A127-I140 HydrophobicContact CB-CG1 3.6Å
128	L	98.4	Very high	97	Very high	14 Å²	14	37.4 Å²	37.4	7%	0.073	21%	0.207	C	C	.	.			trans	-73.8	129.7	163.5	-63	175.5	0	0	0	109.2	G29 M31 Q104 G130 F137 I140	G29-L128 WeakPolarHBondContact O-CD2 3.48Å; M31-L128 HydrophobicContact CG-CD1 4.48Å; M31-L128 HydrophobicContact CG-CD2 4.03Å; Q104-L128 HydrophobicContact CG-CB 4.2Å; L128-G130 VanDerWaalsContact C-N 3.35Å; L128-F137 HydrophobicContact CB-CD2 4.01Å; L128-F137 HydrophobicContact CD1-CD2 4.05Å; L128-F137 HydrophobicContact CD1-CE2 3.9Å; L128-I140 WeakPolarHBondContact O-CG2 3.37Å
129	D	97.6	Very high	96.9	Very high	36 Å²	36	33.7 Å²	33.7	19%	0.193	19%	0.187	C	C	.	.	S	Bend	trans	-76.3	-26.4	173.5	58.9	-53.1	0	0	0	112.4	F28 F137 L141 K152	F28-D129 HydrophobicContact CB-CB 4Å; F28-D129 HydrophobicContact CD1-CB 3.72Å; F28-D129 HydrophobicContact CD2-CB 4.42Å; F28-D129 HydrophobicContact CE1-CB 4.25Å; F28-D129 HydrophobicContact CG-CB 3.81Å; D129-F137 PolarHBondContact O-N 3.32Å; D129-L141 HydrophobicContact CB-CD2 4.12Å; D129-K152 IonicContact OD1-NZ 3.77Å; D129-K152 VanDerWaalsContact OD2-CE 3.29Å; D129-K152 WeakPolarHBondContact OD2-CE 3.49Å; D129-K152 IonicContact OD2-NZ 2.64Å; D129-K152 PolarHBondContact OD2-NZ 2.97Å
130	G	97.1	Very high	97.1	Very high	13 Å²	13	30.8 Å²	30.8	13%	0.134	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-145.9	156.6	179.1	0	0	0	0	0	114.4	L128 K135	L128-G130 VanDerWaalsContact C-N 3.35Å; G130-K135 CarbonylContact C-O 3.44Å; G130-K135 WeakPolarHBondContact CA-O 3.33Å
131	T	97.1	Very high	97.2	Very high	10 Å²	10	33.2 Å²	33.2	6%	0.061	18%	0.182	C	C	.	.			trans	-72.3	177	175.9	72.5	0	0	0	0	111.4	Q133 R134 K135 F137 V176	T131-Q133 PolarHBondContact O-N 3.1Å; T131-Q133 PolarHBondContact OG1-N 3.47Å; T131-R134 PolarHBondContact O-N 3Å; T131-K135 PolarHBondContact N-O 2.96Å; T131-F137 HydrophobicContact CG2-CB 4.14Å; T131-F137 HydrophobicContact CG2-CD2 3.79Å; T131-F137 HydrophobicContact CG2-CE2 4.31Å; T131-F137 HydrophobicContact CG2-CG 3.92Å; T131-V176 HydrophobicContact CG2-CG1 3.55Å
132	F	95.4	Very high	97.4	Very high	37 Å²	37	37.8 Å²	37.8	16%	0.162	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-16.6	172.2	79.9	-82.9	0	0	0	114	T167 R169 Y185 Y193	F132-T167 WeakPolarHBondContact CA-O 3.45Å; F132-R169 HydrophobicContact CB-CB 3.83Å; F132-R169 VanDerWaalsContact CD1-CZ 3.45Å; F132-R169 HydrophobicContact CD2-CB 3.76Å; F132-R169 HydrophobicContact CG-CB 3.92Å; F132-Y185 HydrophobicContact CB-CE1 4.36Å; F132-Y193 WeakPolarHBondContact O-CE2 3.16Å; F132-Y193 PolarHBondContact O-OH 3.39Å
133	Q	95	Very high	97.4	Very high	83 Å²	83	37.1 Å²	37.1	39%	0.388	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	2.5	176.6	-59.1	177.2	-41.7	0	0	112.8	T131 K135 Y193	T131-Q133 PolarHBondContact O-N 3.1Å; T131-Q133 PolarHBondContact OG1-N 3.47Å; Q133-K135 HydrophobicContact CB-CG 4.23Å; Q133-K135 PolarHBondContact O-N 2.96Å; Q133-Y193 VanDerWaalsContact C-OH 3.29Å; Q133-Y193 WeakPolarHBondContact CA-OH 3.45Å
134	R	96	Very high	97.4	Very high	94 Å²	94	40 Å²	40	36%	0.355	22%	0.22	S	C	.	.	S	Bend	trans	58.6	26	-171.9	-59.2	168.2	57.4	-161.3	-8.1	113.8	T131 Y166 Y193	T131-R134 PolarHBondContact O-N 3Å; R134-Y166 HydrophobicContact CG-CD1 3.84Å; R134-Y166 HydrophobicContact CG-CE1 4.46Å; R134-Y166 HydrophobicContact CG-CG 4.24Å; R134-Y193 HydrophobicContact CG-CD2 4.38Å; R134-Y193 HydrophobicContact CG-CE1 4.1Å; R134-Y193 HydrophobicContact CG-CE2 3.77Å
135	K	97.1	Very high	97.4	Very high	126 Å²	126	45.4 Å²	45.4	55%	0.548	26%	0.255	S	S	.	.	S	Bend	trans	-89	154.5	167.4	-66.1	-175.9	178.7	-179.7	0	109.5	G130 T131 Q133 F137	G130-K135 CarbonylContact C-O 3.44Å; G130-K135 WeakPolarHBondContact CA-O 3.33Å; T131-K135 PolarHBondContact N-O 2.96Å; Q133-K135 HydrophobicContact CB-CG 4.23Å; Q133-K135 PolarHBondContact O-N 2.96Å; K135-F137 PolarHBondContact O-N 3.49Å
136	P	97.5	Very high	97.4	Very high	84 Å²	84	48.4 Å²	48.4	55%	0.545	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-47.6	136.3	171	-28.9	36.8	0	0	0	111.9	L141	P136-L141 HydrophobicContact CB-CD1 3.67Å; P136-L141 HydrophobicContact CB-CG 4.28Å; P136-L141 HydrophobicContact CG-CD1 3.81Å
137	F	97.6	Very high	97.4	Very high	19 Å²	19	49.4 Å²	49.4	8%	0.083	28%	0.279	C	S	.	.			trans	-90	108.9	177.7	-154	-51.1	0	0	0	110.2	Q104 F105 L128 D129 T131 K135 N139 I140 V176	Q104-F137 HydrophobicContact CB-CB 3.98Å; Q104-F137 HydrophobicContact CB-CD1 3.52Å; Q104-F137 HydrophobicContact CB-CD2 4.4Å; Q104-F137 HydrophobicContact CB-CE1 4.11Å; Q104-F137 HydrophobicContact CB-CG 3.71Å; Q104-F137 HydrophobicContact CG-CB 4.36Å; Q104-F137 HydrophobicContact CG-CD1 3.44Å; Q104-F137 VanDerWaalsContact CG-CD1 3.44Å; Q104-F137 HydrophobicContact CG-CD2 3.84Å; Q104-F137 HydrophobicContact CG-CE1 3.57Å; Q104-F137 HydrophobicContact CG-CE2 3.96Å; Q104-F137 HydrophobicContact CG-CG 3.61Å; Q104-F137 HydrophobicContact CG-CZ 3.84Å; F105-F137 HydrophobicContact CD1-CE1 4.09Å; F105-F137 HydrophobicContact CD1-CZ 4.12Å; F105-F137 HydrophobicContact CE1-CE1 4.01Å; F105-F137 AromaticContact CE1-CZ 3.56Å; F105-F137 HydrophobicContact CE1-CZ 3.56Å; F105-F137 HydrophobicContact CZ-CZ 4.23Å; L128-F137 HydrophobicContact CB-CD2 4.01Å; L128-F137 HydrophobicContact CD1-CD2 4.05Å; L128-F137 HydrophobicContact CD1-CE2 3.9Å; D129-F137 PolarHBondContact O-N 3.32Å; T131-F137 HydrophobicContact CG2-CB 4.14Å; T131-F137 HydrophobicContact CG2-CD2 3.79Å; T131-F137 HydrophobicContact CG2-CE2 4.31Å; T131-F137 HydrophobicContact CG2-CG 3.92Å; K135-F137 PolarHBondContact O-N 3.49Å; F137-N139 PolarHBondContact O-N 3.38Å; F137-I140 HydrophobicContact CB-CG2 4.42Å; F137-I140 WeakPolarHBondContact O-CG2 3.46Å; F137-I140 PolarHBondContact O-N 3.3Å; F137-V176 HydrophobicContact CE1-CG1 4.07Å; F137-V176 HydrophobicContact CE2-CG1 4.31Å; F137-V176 HydrophobicContact CZ-CG1 3.9Å
138	G	94.8	Very high	97.4	Very high	61 Å²	61	55.1 Å²	55.1	63%	0.629	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	-137.1	-178.1	0	0	0	0	0	111.6
139	N	95.9	Very high	97.4	Very high	39 Å²	39	56.4 Å²	56.4	21%	0.209	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	10.2	176	61.9	-5.7	0	0	0	113.2	P107 V110 F137 L141 N142	P107-N139 PolarHBondContact O-ND2 3.26Å; V110-N139 HydrophobicContact CG2-CB 4.26Å; V110-N139 WeakPolarHBondContact CG2-O 3.33Å; F137-N139 PolarHBondContact O-N 3.38Å; N139-L141 PolarHBondContact O-N 3.23Å; N139-L141 VanDerWaalsContact O-N 3.11Å; N139-N142 WeakPolarHBondContact O-CB 3.32Å; N139-N142 PolarHBondContact O-N 3.06Å
140	I	97.8	Very high	97.4	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-62	-29.3	-167.6	-159.6	65.6	0	0	0	114.1	F28 Q104 T109 V125 A127 L128 F137 N142 L143	F28-I140 HydrophobicContact CE1-CG1 3.92Å; F28-I140 HydrophobicContact CE1-CG2 4.11Å; Q104-I140 HydrophobicContact CB-CB 4.31Å; Q104-I140 HydrophobicContact CB-CG1 4.47Å; Q104-I140 HydrophobicContact CB-CG2 4.45Å; T109-I140 HydrophobicContact CG2-CD1 3.88Å; V125-I140 HydrophobicContact CG1-CD1 4.25Å; A127-I140 HydrophobicContact CB-CD1 3.92Å; A127-I140 HydrophobicContact CB-CG1 3.6Å; L128-I140 WeakPolarHBondContact O-CG2 3.37Å; F137-I140 HydrophobicContact CB-CG2 4.42Å; F137-I140 WeakPolarHBondContact O-CG2 3.46Å; F137-I140 PolarHBondContact O-N 3.3Å; I140-N142 PolarHBondContact O-N 2.79Å; I140-L143 HydrophobicContact CD1-CD1 3.81Å; I140-L143 WeakPolarHBondContact O-CB 3.26Å; I140-L143 PolarHBondContact O-N 3.28Å
141	L	98.4	Very high	97.5	Very high	63 Å²	63	59.2 Å²	59.2	33%	0.33	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-69.3	-18.1	177.9	-62	-172.5	0	0	0	112.6	F28 D129 P136 N139 L143 V144	F28-L141 HydrophobicContact CE1-CD2 4.38Å; F28-L141 HydrophobicContact CE2-CD2 4.36Å; F28-L141 HydrophobicContact CZ-CD2 3.95Å; D129-L141 HydrophobicContact CB-CD2 4.12Å; P136-L141 HydrophobicContact CB-CD1 3.67Å; P136-L141 HydrophobicContact CB-CG 4.28Å; P136-L141 HydrophobicContact CG-CD1 3.81Å; N139-L141 PolarHBondContact O-N 3.23Å; N139-L141 VanDerWaalsContact O-N 3.11Å; L141-L143 PolarHBondContact O-N 2.97Å; L141-V144 WeakPolarHBondContact O-CB 3.33Å; L141-V144 WeakPolarHBondContact O-CG2 3.15Å; L141-V144 PolarHBondContact O-N 3.24Å; L141-V144 VanDerWaalsContact O-N 3.08Å
142	N	98.7	Very high	97.6	Very high	100 Å²	100	62.5 Å²	62.5	54%	0.535	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-69.4	-12.9	175.7	-60.9	-9.2	0	0	0	112.4	V110 N139 I140 V144 P145	V110-N142 HydrophobicContact CG1-CB 4.27Å; V110-N142 HydrophobicContact CG2-CB 3.95Å; N139-N142 WeakPolarHBondContact O-CB 3.32Å; N139-N142 PolarHBondContact O-N 3.06Å; I140-N142 PolarHBondContact O-N 2.79Å; N142-V144 VanDerWaalsContact C-N 3.32Å; N142-P145 WeakPolarHBondContact O-CD 3.35Å
143	L	98.1	Very high	97.7	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-73.1	-22.4	169.9	-74.8	175.8	0	0	0	113.1	I26 T109 V110 C113 V125 I140 L141 L146 A147	I26-L143 HydrophobicContact CD1-CB 3.44Å; I26-L143 VanDerWaalsContact CD1-CB 3.44Å; I26-L143 HydrophobicContact CD1-CD1 4.45Å; I26-L143 HydrophobicContact CG1-CB 4.37Å; T109-L143 HydrophobicContact CG2-CD1 3.92Å; V110-L143 HydrophobicContact CB-CD2 4.43Å; V110-L143 HydrophobicContact CG1-CD2 4.41Å; V110-L143 HydrophobicContact CG2-CD2 4.48Å; V110-L143 HydrophobicContact CG2-CG 4.25Å; C113-L143 HydrophobicContact CB-CD2 3.63Å; V125-L143 HydrophobicContact CB-CD1 4.47Å; V125-L143 HydrophobicContact CG1-CD1 4.27Å; V125-L143 HydrophobicContact CG2-CD1 4.2Å; I140-L143 HydrophobicContact CD1-CD1 3.81Å; I140-L143 WeakPolarHBondContact O-CB 3.26Å; I140-L143 PolarHBondContact O-N 3.28Å; L141-L143 PolarHBondContact O-N 2.97Å; L143-L146 PolarHBondContact O-N 3.1Å; L143-A147 WeakPolarHBondContact O-CB 3.06Å; L143-A147 PolarHBondContact O-N 3.34Å; L143-A147 VanDerWaalsContact O-N 3.1Å
144	V	98.7	Very high	97.9	Very high	62 Å²	62	63 Å²	63	38%	0.376	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-58.2	-45.8	-173.2	173.2	0	0	0	0	112.8	I26 F28 L141 N142 L146 A147 V150	I26-V144 HydrophobicContact CD1-CG2 4.39Å; F28-V144 HydrophobicContact CE2-CG2 3.71Å; F28-V144 HydrophobicContact CZ-CG2 4.14Å; L141-V144 WeakPolarHBondContact O-CB 3.33Å; L141-V144 WeakPolarHBondContact O-CG2 3.15Å; L141-V144 PolarHBondContact O-N 3.24Å; L141-V144 VanDerWaalsContact O-N 3.08Å; N142-V144 VanDerWaalsContact C-N 3.32Å; V144-L146 PolarHBondContact O-N 3.17Å; V144-A147 PolarHBondContact O-N 2.86Å; V144-V150 HydrophobicContact CG1-CG2 4.46Å
145	P	98.6	Very high	98	Very high	113 Å²	113	59 Å²	59	73%	0.734	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-68.1	-18.1	177.8	-19.1	33.9	0	0	0	114	N142	N142-P145 WeakPolarHBondContact O-CD 3.35Å
146	L	98.4	Very high	98.1	Very high	63 Å²	63	57.6 Å²	57.6	33%	0.33	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-94	-15.6	-176.9	-53.3	178.3	0	0	0	112.4	I24 V110 E114 L143 V144	I24-L146 HydrophobicContact CD1-CB 4.1Å; V110-L146 HydrophobicContact CG1-CD1 3.92Å; E114-L146 HydrophobicContact CB-CD1 4.28Å; E114-L146 HydrophobicContact CG-CD1 4.47Å; L143-L146 PolarHBondContact O-N 3.1Å; V144-L146 PolarHBondContact O-N 3.17Å
147	A	98.4	Very high	98.1	Very high	20 Å²	20	53.6 Å²	53.6	17%	0.165	31%	0.311	C	S	.	.			trans	-94.9	134.7	-169.7	0	0	0	0	0	114.4	I24 I26 L143 V144 S149 V150	I24-A147 HydrophobicContact CB-CB 4.07Å; I24-A147 HydrophobicContact CG2-CB 3.92Å; I24-A147 WeakPolarHBondContact O-CB 3.23Å; I26-A147 HydrophobicContact CD1-CB 3.59Å; I26-A147 HydrophobicContact CG1-CB 3.74Å; L143-A147 WeakPolarHBondContact O-CB 3.06Å; L143-A147 PolarHBondContact O-N 3.34Å; L143-A147 VanDerWaalsContact O-N 3.1Å; V144-A147 PolarHBondContact O-N 2.86Å; A147-S149 VanDerWaalsContact C-N 3.3Å; A147-V150 HydrophobicContact CB-CG2 3.88Å
148	E	98.4	Very high	98.1	Very high	121 Å²	121	56.1 Å²	56.1	57%	0.565	32%	0.324	S	S	*	.	S	Bend	trans	-73.9	-21.7	172.9	-67.4	84.6	168.9	0	0	112.9	Q23 I24	Q23-E148 WeakPolarHBondContact CA-OE2 3.44Å; Q23-E148 HydrophobicContact CB-CB 4.48Å; Q23-E148 HydrophobicContact CB-CG 4.32Å; Q23-E148 WeakPolarHBondContact CB-OE2 2.82Å; I24-E148 PolarHBondContact N-OE2 3.39Å; I24-E148 PolarHBondContact O-N 3.28Å; I24-E148 VanDerWaalsContact O-N 3.1Å
149	S	98.4	Very high	98.2	Very high	40 Å²	40	57.4 Å²	57.4	28%	0.28	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	126	178.1	-175	0	0	0	0	111.1	I24 Q25 I26 A147	I24-S149 PolarHBondContact O-N 3.09Å; Q25-S149 CarbonylContact C-O 3.53Å; Q25-S149 WeakPolarHBondContact CA-O 3.46Å; I26-S149 PolarHBondContact N-O 3.24Å; A147-S149 VanDerWaalsContact C-N 3.3Å
150	V	98.8	Very high	98.3	Very high	62 Å²	62	57.7 Å²	57.7	38%	0.376	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	122.7	173.2	-174.7	0	0	0	0	108.4	I26 F28 V144 A147	I26-V150 HydrophobicContact CB-CG1 4.41Å; I26-V150 HydrophobicContact CB-CG2 4.4Å; I26-V150 HydrophobicContact CD1-CG2 3.98Å; I26-V150 HydrophobicContact CG1-CG2 4.37Å; F28-V150 HydrophobicContact CD2-CG1 3.71Å; F28-V150 HydrophobicContact CE2-CG1 3.8Å; V144-V150 HydrophobicContact CG1-CG2 4.46Å; A147-V150 HydrophobicContact CB-CG2 3.88Å
151	V	98.6	Very high	98.3	Very high	46 Å²	46	66.7 Å²	66.7	28%	0.279	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	143.6	172.4	-58.8	0	0	0	0	109.6	I26 I27 F28 L153	I26-V151 PolarHBondContact O-N 2.74Å; I27-V151 HydrophobicContact CB-CG2 4.28Å; I27-V151 HydrophobicContact CG1-CG2 4.09Å; I27-V151 HydrophobicContact CG2-CG2 4.2Å; F28-V151 PolarHBondContact N-O 3.41Å; V151-L153 HydrophobicContact CG2-CD2 4.49Å
152	K	98.7	Very high	98.3	Very high	80 Å²	80	70.9 Å²	70.9	35%	0.348	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	109.9	170.2	-176	171.1	176.5	170.6	0	109.1	F28 D129	F28-K152 HydrophobicContact CB-CB 4.21Å; F28-K152 HydrophobicContact CB-CG 4.19Å; D129-K152 IonicContact OD1-NZ 3.77Å; D129-K152 VanDerWaalsContact OD2-CE 3.29Å; D129-K152 WeakPolarHBondContact OD2-CE 3.49Å; D129-K152 IonicContact OD2-NZ 2.64Å; D129-K152 PolarHBondContact OD2-NZ 2.97Å
153	L	98.6	Very high	98.3	Very high	45 Å²	45	72.2 Å²	72.2	24%	0.236	37%	0.372	C	S	.	.			trans	-74.5	153.4	174.9	-56.3	-176.2	0	0	0	110.3	I27 F28 G29 P30 S33 K35 E38 V151	I27-L153 HydrophobicContact CG2-CD1 3.55Å; I27-L153 HydrophobicContact CG2-CG 3.84Å; F28-L153 PolarHBondContact O-N 3.46Å; G29-L153 VanDerWaalsContact CA-O 3.28Å; G29-L153 WeakPolarHBondContact CA-O 3.4Å; P30-L153 WeakPolarHBondContact CD-O 3.48Å; S33-L153 WeakPolarHBondContact O-CD1 3.31Å; K35-L153 HydrophobicContact CG-CD1 4.43Å; E38-L153 HydrophobicContact CB-CD1 3.98Å; E38-L153 HydrophobicContact CG-CD1 4.41Å; V151-L153 HydrophobicContact CG2-CD2 4.49Å
154	H	98.3	Very high	98.3	Very high	85 Å²	85	72.2 Å²	72.2	39%	0.394	37%	0.372	S	S	.	.			trans	-114.6	149.2	174.3	-62.3	97.6	0	0	0	110.3	E163 A164	H154-E163 HydrophobicContact CB-CG 3.38Å; H154-E163 IonicContact CD2-OE1 3.17Å; H154-E163 PolarHBondContact CD2-OE1 2.86Å; H154-E163 IonicContact CE1-OE1 3.24Å; H154-E163 PolarHBondContact CE1-OE1 3.3Å; H154-E163 VanDerWaalsContact CE1-OE1 3.24Å; H154-E163 IonicContact CG-OE1 3.05Å; H154-E163 IonicContact ND1-OE1 3.1Å; H154-E163 PolarHBondContact ND1-OE1 3.11Å; H154-E163 VanDerWaalsContact ND1-OE1 3.1Å; H154-E163 IonicContact NE2-OE1 3.34Å; H154-E163 PolarHBondContact NE2-OE1 3.23Å; H154-A164 WeakPolarHBondContact CA-O 3.46Å
155	A	98.1	Very high	98.2	Very high	10 Å²	10	70.1 Å²	70.1	8%	0.083	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-177.4	171.1	0	0	0	0	0	110.1	P30 F32 A164 A187	P30-A155 HydrophobicContact CG-CB 4.04Å; F32-A155 HydrophobicContact CB-CB 4.46Å; A155-A164 HydrophobicContact CB-CB 4.16Å; A155-A164 PolarHBondContact N-O 2.89Å; A155-A164 PolarHBondContact O-N 3.32Å; A155-A187 HydrophobicContact CB-CB 3.56Å
156	V	98.5	Very high	98.2	Very high	96 Å²	96	66.3 Å²	66.3	58%	0.582	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.7	166.2	-179.6	0	0	0	0	109	M158	V156-M158 PolarHBondContact O-N 3.33Å
157	C	98.4	Very high	98.2	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.32	C	S	.	.			trans	-66	120.5	178.1	-179.5	0	0	0	0	110.3	Q159 Y161 K162 A164 A187 C189	C157-Q159 PolarHBondContact O-N 2.64Å; C157-Q159 VanDerWaalsContact O-N 3.09Å; C157-Y161 VanDerWaalsContact O-CA 3.23Å; C157-Y161 WeakPolarHBondContact O-CA 3.43Å; C157-Y161 PolarHBondContact O-N 3.1Å; C157-K162 WeakPolarHBondContact CA-O 3.29Å; C157-K162 WeakPolarHBondContact CB-O 3.41Å; C157-K162 PolarHBondContact N-O 3.03Å; C157-A164 HydrophobicContact CB-CB 4.03Å; C157-A187 WeakPolarHBondContact CA-O 3.13Å; C157-C189 HydrophobicContact CB-CB 4.11Å; C157-C189 PolarHBondContact SG-N 2.85Å
158	M	97.8	Very high	98.1	Very high	73 Å²	73	65.9 Å²	65.9	36%	0.36	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-1	-177.8	-62.4	179.3	172.5	0	0	113.8	F32 V156 Q186 A187	F32-M158 HydrophobicContact CB-CE 4.14Å; F32-M158 HydrophobicContact CD1-CE 4.07Å; F32-M158 HydrophobicContact CD2-CE 3.38Å; F32-M158 HydrophobicContact CD2-SD 4.44Å; F32-M158 HydrophobicContact CE1-CE 4.35Å; F32-M158 HydrophobicContact CE2-CE 3.71Å; F32-M158 HydrophobicContact CE2-SD 4.42Å; F32-M158 HydrophobicContact CG-CE 3.57Å; F32-M158 HydrophobicContact CZ-CE 4.19Å; V156-M158 PolarHBondContact O-N 3.33Å; M158-Q186 HydrophobicContact CB-CB 4.32Å; M158-Q186 HydrophobicContact CB-CG 4.35Å; M158-Q186 HydrophobicContact SD-CB 3.91Å; M158-Q186 HydrophobicContact SD-CG 3.92Å; M158-A187 PolarHBondContact N-O 3.23Å
159	Q	96.9	Very high	98	Very high	88 Å²	88	61 Å²	61	41%	0.411	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-36.3	178.7	-63.1	-173.5	7.1	0	0	113.8	C157 Q186 V188 C192	C157-Q159 PolarHBondContact O-N 2.64Å; C157-Q159 VanDerWaalsContact O-N 3.09Å; Q159-Q186 VanDerWaalsContact NE2-OE1 3.17Å; Q159-V188 HydrophobicContact CG-CG1 4.35Å; Q159-C192 HydrophobicContact CB-CB 4.01Å; Q159-C192 HydrophobicContact CG-CB 4.37Å; Q159-C192 VanDerWaalsContact OE1-CB 3.24Å
160	C	97.6	Very high	97.7	Very high	45 Å²	45	63.3 Å²	63.3	30%	0.304	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.5	6	-176.9	71.1	0	0	0	0	114.6	K162 C189	C160-K162 PolarHBondContact O-N 3.41Å; C160-C189 PolarHBondContact SG-SG 3.28Å
161	Y	98	Very high	97.3	Very high	189 Å²	189	62.2 Å²	62.2	74%	0.741	31%	0.311	S	S	*	.	S	Bend	trans	61.9	9	173.6	-44.6	-71.2	0	0	0	116.2	C157	C157-Y161 VanDerWaalsContact O-CA 3.23Å; C157-Y161 WeakPolarHBondContact O-CA 3.43Å; C157-Y161 PolarHBondContact O-N 3.1Å
162	K	97.9	Very high	96.8	Very high	151 Å²	151	64.7 Å²	64.7	66%	0.657	34%	0.337	S	S	*	.	S	Bend	trans	-81.6	176.1	168.5	-61	-171.2	-179.9	-170.8	0	111.3	C157 C160 A164	C157-K162 WeakPolarHBondContact CA-O 3.29Å; C157-K162 WeakPolarHBondContact CB-O 3.41Å; C157-K162 PolarHBondContact N-O 3.03Å; C160-K162 PolarHBondContact O-N 3.41Å; K162-A164 PolarHBondContact O-N 2.81Å
163	E	98.3	Very high	96.4	Very high	128 Å²	128	64.8 Å²	64.8	60%	0.598	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.3	131.5	174.3	-163.2	174.1	121.3	0	0	112.5	H154 C189	H154-E163 HydrophobicContact CB-CG 3.38Å; H154-E163 IonicContact CD2-OE1 3.17Å; H154-E163 PolarHBondContact CD2-OE1 2.86Å; H154-E163 IonicContact CE1-OE1 3.24Å; H154-E163 PolarHBondContact CE1-OE1 3.3Å; H154-E163 VanDerWaalsContact CE1-OE1 3.24Å; H154-E163 IonicContact CG-OE1 3.05Å; H154-E163 IonicContact ND1-OE1 3.1Å; H154-E163 PolarHBondContact ND1-OE1 3.11Å; H154-E163 VanDerWaalsContact ND1-OE1 3.1Å; H154-E163 IonicContact NE2-OE1 3.34Å; H154-E163 PolarHBondContact NE2-OE1 3.23Å; E163-C189 WeakPolarHBondContact O-CB 3.37Å
164	A	98.4	Very high	95.9	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.4	179.5	0	0	0	0	0	111.5	P30 H154 A155 C157 K162 A187 V188	P30-A164 WeakPolarHBondContact CG-O 3.29Å; H154-A164 WeakPolarHBondContact CA-O 3.46Å; A155-A164 HydrophobicContact CB-CB 4.16Å; A155-A164 PolarHBondContact N-O 2.89Å; A155-A164 PolarHBondContact O-N 3.32Å; C157-A164 HydrophobicContact CB-CB 4.03Å; K162-A164 PolarHBondContact O-N 2.81Å; A164-A187 HydrophobicContact CB-CB 3.93Å; A164-V188 VanDerWaalsContact CB-C 3.45Å; A164-V188 WeakPolarHBondContact CB-O 3.48Å
165	A	98.1	Very high	95.6	Very high	18 Å²	18	73.8 Å²	73.8	15%	0.149	38%	0.376	C	S	.	.			trans	-115	-1.9	-178.9	0	0	0	0	0	113	V188	A165-V188 PolarHBondContact N-O 3.08Å
166	Y	98.1	Very high	95.3	Very high	33 Å²	33	76.2 Å²	76.2	13%	0.129	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	150.6	-173	-47.4	-62.6	0	0	0	111.9	P30 R134 A187 V188 R190	P30-Y166 VanDerWaalsContact CB-C 3.48Å; R134-Y166 HydrophobicContact CG-CD1 3.84Å; R134-Y166 HydrophobicContact CG-CE1 4.46Å; R134-Y166 HydrophobicContact CG-CG 4.24Å; Y166-A187 WeakPolarHBondContact O-CA 3.49Å; Y166-V188 PolarHBondContact N-O 3.43Å; Y166-V188 PolarHBondContact O-N 2.83Å; Y166-R190 HydrophobicContact CE2-CB 3.87Å; Y166-R190 HydrophobicContact CE2-CG 4.41Å; Y166-R190 PolarHBondContact OH-NH2 3.24Å
167	T	97.7	Very high	95	Very high	9 Å²	9	75.6 Å²	75.6	6%	0.055	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	127	167.9	-54.1	0	0	0	0	108.5	M31 F132 Y185 Q186	M31-T167 HydrophobicContact CB-CG2 4.06Å; M31-T167 HydrophobicContact CG-CG2 3.73Å; M31-T167 PolarHBondContact N-OG1 3.23Å; M31-T167 HydrophobicContact SD-CG2 3.46Å; M31-T167 WeakPolarHBondContact SD-CG2 3.49Å; F132-T167 WeakPolarHBondContact CA-O 3.45Å; T167-Y185 HydrophobicContact CG2-CD1 3.65Å; T167-Y185 HydrophobicContact CG2-CG 4.04Å; T167-Q186 CarbonylContact C-O 3.56Å; T167-Q186 WeakPolarHBondContact CA-O 3.39Å
168	K	96.6	Very high	94.6	Very high	65 Å²	65	76.8 Å²	76.8	28%	0.283	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	130.5	172.4	178.6	170.2	-177	162	0	109.4	Y185 Q186 V188 C192 Y193	K168-Y185 CarbonylContact O-C 3.55Å; K168-Y185 VanDerWaalsContact O-CA 3.29Å; K168-Y185 WeakPolarHBondContact O-CA 3.22Å; K168-Q186 PolarHBondContact N-O 3.02Å; K168-Q186 PolarHBondContact O-N 2.89Å; K168-V188 HydrophobicContact CB-CG1 4.14Å; K168-V188 HydrophobicContact CB-CG2 3.65Å; K168-V188 HydrophobicContact CD-CG1 4.41Å; K168-V188 HydrophobicContact CD-CG2 4.46Å; K168-C192 PolarHBondContact NZ-O 3.16Å; K168-Y193 HydrophobicContact CB-CD2 4.25Å; K168-Y193 PolarHBondContact NZ-O 2.96Å
169	R	95.8	Very high	94.3	Very high	19 Å²	19	75.4 Å²	75.4	7%	0.072	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	141.2	170.7	-174.9	175.2	-69.3	165.3	-1.5	110	F132 E173 E175 V176 K184 Y185	F132-R169 HydrophobicContact CB-CB 3.83Å; F132-R169 VanDerWaalsContact CD1-CZ 3.45Å; F132-R169 HydrophobicContact CD2-CB 3.76Å; F132-R169 HydrophobicContact CG-CB 3.92Å; R169-E173 PolarHBondContact NH1-O 2.95Å; R169-E175 PolarHBondContact NH1-O 3.45Å; R169-E175 PolarHBondContact NH2-O 2.83Å; R169-V176 PolarHBondContact NH2-O 3.3Å; R169-V176 VanDerWaalsContact NH2-O 3.17Å; R169-K184 WeakPolarHBondContact CA-O 3.31Å; R169-Y185 HydrophobicContact CB-CD1 3.99Å; R169-Y185 HydrophobicContact CB-CE1 3.81Å; R169-Y185 HydrophobicContact CG-CD1 4.36Å; R169-Y185 HydrophobicContact CG-CE1 3.96Å; R169-Y185 PolarHBondContact NE-OH 3.48Å; R169-Y185 PolarHBondContact NH2-OH 3.32Å
170	L	92.6	Very high	93.9	Very high	87 Å²	87	71.5 Å²	71.5	46%	0.455	37%	0.365	S	S	.	.			trans	-89.5	-36.7	179.1	-63.1	-179.1	0	0	0	112.9	K184 Q186	L170-K184 PolarHBondContact N-O 3.26Å; L170-Q186 HydrophobicContact CD1-CG 4.22Å; L170-Q186 HydrophobicContact CD2-CG 3.92Å; L170-Q186 HydrophobicContact CG-CG 4.32Å
171	G	89.6	Confident	93.6	Very high	39 Å²	39	70 Å²	70	40%	0.402	36%	0.358	S	S	.	.	S	Bend	trans	-83	175.6	178.5	0	0	0	0	0	114.2	E173	G171-E173 WeakPolarHBondContact CA-OE2 3.15Å
172	A	88.9	Confident	93.2	Very high	98 Å²	98	64 Å²	64	81%	0.81	35%	0.347	S	S	*	.			trans	-93.2	3.9	-177.3	0	0	0	0	0	113.7	K174	A172-K174 PolarHBondContact O-N 2.67Å
173	E	91.1	Very high	92.9	Very high	83 Å²	83	62.2 Å²	62.2	39%	0.388	34%	0.344	S	S	.	.			trans	-60.6	136	179.8	-54.9	93.5	144.9	0	0	110.4	R169 G171 V178	R169-E173 PolarHBondContact NH1-O 2.95Å; G171-E173 WeakPolarHBondContact CA-OE2 3.15Å; E173-V178 HydrophobicContact CB-CG2 4.3Å
174	K	87.7	Confident	92.6	Very high	179 Å²	179	59.3 Å²	59.3	78%	0.778	33%	0.33	S	S	*	.			trans	-95.1	-20.7	-178.2	-64.8	-176.4	-179.3	177.7	0	113.3	A172	A172-K174 PolarHBondContact O-N 2.67Å
175	E	92.5	Very high	92.5	Very high	139 Å²	139	60 Å²	60	65%	0.65	33%	0.333	S	S	*	.			trans	-62	137.6	-177.5	-58	-48.4	142.6	0	0	112	R169 V178	R169-E175 PolarHBondContact NH1-O 3.45Å; R169-E175 PolarHBondContact NH2-O 2.83Å; E175-V178 HydrophobicContact CB-CG2 3.99Å
176	V	90.1	Very high	92.4	Very high	62 Å²	62	61.4 Å²	61.4	38%	0.376	34%	0.336	S	S	.	.	S	Bend	trans	-68.1	-48.5	-178.1	175.1	0	0	0	0	110.6	T131 F137 R169 V178	T131-V176 HydrophobicContact CG2-CG1 3.55Å; F137-V176 HydrophobicContact CE1-CG1 4.07Å; F137-V176 HydrophobicContact CE2-CG1 4.31Å; F137-V176 HydrophobicContact CZ-CG1 3.9Å; R169-V176 PolarHBondContact NH2-O 3.3Å; R169-V176 VanDerWaalsContact NH2-O 3.17Å; V176-V178 PolarHBondContact O-N 2.81Å
177	E	92.1	Very high	92.4	Very high	82 Å²	82	59.8 Å²	59.8	38%	0.383	33%	0.33	S	S	.	.			trans	-86.4	95.9	178	-175.2	-179.6	147.6	0	0	110.3	Y58 K60 F105 I179	Y58-E177 PolarHBondContact OH-OE1 3.26Å; K60-E177 IonicContact NZ-OE1 3.28Å; K60-E177 PolarHBondContact NZ-OE1 3.32Å; F105-E177 HydrophobicContact CD1-CG 4.18Å; F105-E177 HydrophobicContact CE1-CB 4.39Å; F105-E177 HydrophobicContact CE1-CG 3.82Å; E177-I179 HydrophobicContact CG-CD1 4.48Å
178	V	91.1	Very high	92.4	Very high	26 Å²	26	59.4 Å²	59.4	16%	0.158	33%	0.327	C	S	.	.			trans	-129.1	108.2	167.7	178.5	0	0	0	0	107.8	E173 E175 V176 G180 K184 Y185	E173-V178 HydrophobicContact CB-CG2 4.3Å; E175-V178 HydrophobicContact CB-CG2 3.99Å; V176-V178 PolarHBondContact O-N 2.81Å; V178-G180 PolarHBondContact O-N 3.17Å; V178-K184 HydrophobicContact CG1-CD 3.91Å; V178-Y185 VanDerWaalsContact O-CE2 3.31Å; V178-Y185 WeakPolarHBondContact O-CE2 3.37Å; V178-Y185 PolarHBondContact O-OH 2.9Å
179	I	90.5	Very high	92.5	Very high	43 Å²	43	57 Å²	57	22%	0.221	32%	0.318	C	S	.	.			trans	-69.4	131.5	179	-52.6	-56.6	0	0	0	109.4	R63 F105 E177 K184	R63-I179 HydrophobicContact CG-CG2 3.7Å; F105-I179 HydrophobicContact CE1-CD1 4.43Å; F105-I179 HydrophobicContact CE2-CD1 4.2Å; F105-I179 HydrophobicContact CZ-CD1 3.87Å; E177-I179 HydrophobicContact CG-CD1 4.48Å; I179-K184 PolarHBondContact O-NZ 2.91Å
180	G	89.3	Confident	92.6	Very high	6 Å²	6	62.7 Å²	62.7	6%	0.062	34%	0.34	C	S	.	.			trans	-177.5	160.5	-179.8	0	0	0	0	0	112.3	M31 R63 V178	M31-G180 VanDerWaalsContact CE-O 3.32Å; M31-G180 WeakPolarHBondContact CE-O 3.45Å; R63-G180 WeakPolarHBondContact CD-O 3.34Å; R63-G180 PolarHBondContact NH1-O 3.3Å; V178-G180 PolarHBondContact O-N 3.17Å
181	G	90.7	Very high	92.7	Very high	14 Å²	14	67.1 Å²	67.1	14%	0.144	36%	0.356	C	S	.	.	S	Bend	trans	-102.9	-139.3	177.3	0	0	0	0	0	111.6	D183 K184 Y185	G181-D183 VanDerWaalsContact CA-OD1 3.24Å; G181-D183 WeakPolarHBondContact CA-OD1 3.47Å; G181-D183 PolarHBondContact N-OD1 3.5Å; G181-D183 PolarHBondContact O-N 2.95Å; G181-K184 PolarHBondContact O-N 3.28Å; G181-Y185 PolarHBondContact O-N 2.99Å
182	A	90.9	Very high	93	Very high	62 Å²	62	66.3 Å²	66.3	51%	0.512	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-15.4	177.9	0	0	0	0	0	113.5	F32 Y185	F32-A182 HydrophobicContact CE1-CB 4.16Å; F32-A182 HydrophobicContact CZ-CB 4.07Å; A182-Y185 WeakPolarHBondContact CA-O 3.48Å
183	D	90.8	Very high	93.3	Very high	114 Å²	114	64.1 Å²	64.1	61%	0.61	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-32.2	173.2	62	-52.6	0	0	0	112.6	G181	G181-D183 VanDerWaalsContact CA-OD1 3.24Å; G181-D183 WeakPolarHBondContact CA-OD1 3.47Å; G181-D183 PolarHBondContact N-OD1 3.5Å; G181-D183 PolarHBondContact O-N 2.95Å
184	K	92.8	Very high	93.1	Very high	67 Å²	67	62.3 Å²	62.3	29%	0.291	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-21.5	-179.7	-63.8	-170.8	-168.7	171	0	114	R169 L170 V178 I179 G181	R169-K184 WeakPolarHBondContact CA-O 3.31Å; L170-K184 PolarHBondContact N-O 3.26Å; V178-K184 HydrophobicContact CG1-CD 3.91Å; I179-K184 PolarHBondContact O-NZ 2.91Å; G181-K184 PolarHBondContact O-N 3.28Å
185	Y	95.6	Very high	92.1	Very high	15 Å²	15	54.9 Å²	54.9	6%	0.059	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	147.6	-170	-61.3	-79.7	0	0	0	113.3	M31 F32 F132 T167 K168 R169 V178 G181 A182	M31-Y185 HydrophobicContact CE-CD2 3.75Å; M31-Y185 HydrophobicContact CE-CG 4.05Å; M31-Y185 VanDerWaalsContact SD-CB 3.58Å; M31-Y185 HydrophobicContact SD-CD1 4.08Å; M31-Y185 HydrophobicContact SD-CD2 3.65Å; M31-Y185 HydrophobicContact SD-CE2 4.32Å; M31-Y185 HydrophobicContact SD-CG 3.5Å; F32-Y185 WeakPolarHBondContact CE2-O 3.5Å; F132-Y185 HydrophobicContact CB-CE1 4.36Å; T167-Y185 HydrophobicContact CG2-CD1 3.65Å; T167-Y185 HydrophobicContact CG2-CG 4.04Å; K168-Y185 CarbonylContact O-C 3.55Å; K168-Y185 VanDerWaalsContact O-CA 3.29Å; K168-Y185 WeakPolarHBondContact O-CA 3.22Å; R169-Y185 HydrophobicContact CB-CD1 3.99Å; R169-Y185 HydrophobicContact CB-CE1 3.81Å; R169-Y185 HydrophobicContact CG-CD1 4.36Å; R169-Y185 HydrophobicContact CG-CE1 3.96Å; R169-Y185 PolarHBondContact NE-OH 3.48Å; R169-Y185 PolarHBondContact NH2-OH 3.32Å; V178-Y185 VanDerWaalsContact O-CE2 3.31Å; V178-Y185 WeakPolarHBondContact O-CE2 3.37Å; V178-Y185 PolarHBondContact O-OH 2.9Å; G181-Y185 PolarHBondContact O-N 2.99Å; A182-Y185 WeakPolarHBondContact CA-O 3.48Å
186	Q	96.9	Very high	89.9	Confident	47 Å²	47	55.6 Å²	55.6	22%	0.22	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.2	171.9	-70.4	-178.5	-6.5	0	0	111.1	M158 Q159 T167 K168 L170 V188	M158-Q186 HydrophobicContact CB-CB 4.32Å; M158-Q186 HydrophobicContact CB-CG 4.35Å; M158-Q186 HydrophobicContact SD-CB 3.91Å; M158-Q186 HydrophobicContact SD-CG 3.92Å; Q159-Q186 VanDerWaalsContact NE2-OE1 3.17Å; T167-Q186 CarbonylContact C-O 3.56Å; T167-Q186 WeakPolarHBondContact CA-O 3.39Å; K168-Q186 PolarHBondContact N-O 3.02Å; K168-Q186 PolarHBondContact O-N 2.89Å; L170-Q186 HydrophobicContact CD1-CG 4.22Å; L170-Q186 HydrophobicContact CD2-CG 3.92Å; L170-Q186 HydrophobicContact CG-CG 4.32Å; Q186-V188 HydrophobicContact CB-CG1 4.03Å
187	A	97.9	Very high	87.8	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	126.6	161.3	0	0	0	0	0	109.2	F32 A155 C157 M158 A164 Y166	F32-A187 HydrophobicContact CB-CB 4.45Å; F32-A187 HydrophobicContact CD2-CB 3.93Å; A155-A187 HydrophobicContact CB-CB 3.56Å; C157-A187 WeakPolarHBondContact CA-O 3.13Å; M158-A187 PolarHBondContact N-O 3.23Å; A164-A187 HydrophobicContact CB-CB 3.93Å; Y166-A187 WeakPolarHBondContact O-CA 3.49Å
188	V	98.1	Very high	85.4	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	149.1	-177.8	-64.3	0	0	0	0	112.7	Q159 A164 A165 Y166 K168 Q186 C192 Y193	Q159-V188 HydrophobicContact CG-CG1 4.35Å; A164-V188 VanDerWaalsContact CB-C 3.45Å; A164-V188 WeakPolarHBondContact CB-O 3.48Å; A165-V188 PolarHBondContact N-O 3.08Å; Y166-V188 PolarHBondContact N-O 3.43Å; Y166-V188 PolarHBondContact O-N 2.83Å; K168-V188 HydrophobicContact CB-CG1 4.14Å; K168-V188 HydrophobicContact CB-CG2 3.65Å; K168-V188 HydrophobicContact CD-CG1 4.41Å; K168-V188 HydrophobicContact CD-CG2 4.46Å; Q186-V188 HydrophobicContact CB-CG1 4.03Å; V188-C192 HydrophobicContact CB-CB 4.03Å; V188-C192 HydrophobicContact CG1-CB 4.32Å; V188-Y193 HydrophobicContact CG2-CD2 3.9Å; V188-Y193 HydrophobicContact CG2-CG 4.33Å
189	C	97.9	Very high	82.8	Confident	14 Å²	14	64.6 Å²	64.6	10%	0.095	36%	0.356	C	S	.	.			trans	-75.4	171.1	169.3	79.3	0	0	0	0	110.8	C157 C160 E163 K191 C192 Y193	C157-C189 HydrophobicContact CB-CB 4.11Å; C157-C189 PolarHBondContact SG-N 2.85Å; C160-C189 PolarHBondContact SG-SG 3.28Å; E163-C189 WeakPolarHBondContact O-CB 3.37Å; C189-K191 VanDerWaalsContact C-N 3.3Å; C189-K191 PolarHBondContact O-N 3.44Å; C189-C192 PolarHBondContact O-N 3.09Å; C189-C192 PolarHBondContact SG-N 3.45Å; C189-C192 VanDerWaalsContact SG-SG 3.67Å; C189-Y193 WeakPolarHBondContact O-CB 3.05Å; C189-Y193 PolarHBondContact O-N 2.92Å
190	R	96.8	Very high	80.3	Confident	140 Å²	140	72.2 Å²	72.2	53%	0.528	39%	0.387	S	S	.	.	H	α-helix	trans	-52.9	-44.3	179.2	-175.1	172.6	-71.7	-104.8	5.2	113.6	Y166 G195	Y166-R190 HydrophobicContact CE2-CB 3.87Å; Y166-R190 HydrophobicContact CE2-CG 4.41Å; Y166-R190 PolarHBondContact OH-NH2 3.24Å; R190-G195 WeakPolarHBondContact O-CA 3.35Å; R190-G195 PolarHBondContact O-N 3.2Å
191	K	96.1	Very high	77.9	Confident	180 Å²	180	79.7 Å²	79.7	78%	0.783	42%	0.421	S	S	*	.	H	α-helix	trans	-66.1	-50	-179.2	-174.1	178.9	178.8	-179.7	0	111.2	C189 Y193 G194 G195	C189-K191 VanDerWaalsContact C-N 3.3Å; C189-K191 PolarHBondContact O-N 3.44Å; K191-Y193 VanDerWaalsContact C-N 3.34Å; K191-Y193 PolarHBondContact O-N 3.47Å; K191-G194 PolarHBondContact O-N 2.74Å; K191-G194 VanDerWaalsContact O-N 3.16Å; K191-G195 PolarHBondContact O-N 2.68Å
192	C	95.8	Very high	75.2	Confident	22 Å²	22	86 Å²	86	15%	0.149	45%	0.451	C	S	.	.	H	α-helix	trans	-70.1	-26.6	-177.6	-70	0	0	0	0	114	Q159 K168 V188 C189 G194	Q159-C192 HydrophobicContact CB-CB 4.01Å; Q159-C192 HydrophobicContact CG-CB 4.37Å; Q159-C192 VanDerWaalsContact OE1-CB 3.24Å; K168-C192 PolarHBondContact NZ-O 3.16Å; V188-C192 HydrophobicContact CB-CB 4.03Å; V188-C192 HydrophobicContact CG1-CB 4.32Å; C189-C192 PolarHBondContact O-N 3.09Å; C189-C192 PolarHBondContact SG-N 3.45Å; C189-C192 VanDerWaalsContact SG-SG 3.67Å; C192-G194 VanDerWaalsContact C-N 3.28Å; C192-G194 PolarHBondContact O-N 3.45Å
193	Y	95.7	Very high	72.8	Confident	51 Å²	51	89.1 Å²	89.1	20%	0.2	47%	0.469	C	S	.	.	H	α-helix	trans	-58.6	-44.8	169.6	-176.2	-91.8	0	0	0	110.9	F132 Q133 R134 K168 V188 C189 K191	F132-Y193 WeakPolarHBondContact O-CE2 3.16Å; F132-Y193 PolarHBondContact O-OH 3.39Å; Q133-Y193 VanDerWaalsContact C-OH 3.29Å; Q133-Y193 WeakPolarHBondContact CA-OH 3.45Å; R134-Y193 HydrophobicContact CG-CD2 4.38Å; R134-Y193 HydrophobicContact CG-CE1 4.1Å; R134-Y193 HydrophobicContact CG-CE2 3.77Å; K168-Y193 HydrophobicContact CB-CD2 4.25Å; K168-Y193 PolarHBondContact NZ-O 2.96Å; V188-Y193 HydrophobicContact CG2-CD2 3.9Å; V188-Y193 HydrophobicContact CG2-CG 4.33Å; C189-Y193 WeakPolarHBondContact O-CB 3.05Å; C189-Y193 PolarHBondContact O-N 2.92Å; K191-Y193 VanDerWaalsContact C-N 3.34Å; K191-Y193 PolarHBondContact O-N 3.47Å
194	G	86.7	Confident	70.2	Confident	45 Å²	45	87.9 Å²	87.9	46%	0.464	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	150.2	5.4	-176.1	0	0	0	0	0	114.4	K191 C192	K191-G194 PolarHBondContact O-N 2.74Å; K191-G194 VanDerWaalsContact O-N 3.16Å; C192-G194 VanDerWaalsContact C-N 3.28Å; C192-G194 PolarHBondContact O-N 3.45Å
195	G	66.9	Low	68	Low	24 Å²	24	90.4 Å²	90.4	25%	0.247	50%	0.496	C	S	.	.			trans	64	-167.8	179.9	0	0	0	0	0	113.7	R190 K191 V197	R190-G195 WeakPolarHBondContact O-CA 3.35Å; R190-G195 PolarHBondContact O-N 3.2Å; K191-G195 PolarHBondContact O-N 2.68Å; G195-V197 PolarHBondContact O-N 3.27Å; G195-V197 VanDerWaalsContact O-N 3.14Å
196	L	46	Very low	65.2	Low	153 Å²	153	96.3 Å²	96.3	80%	0.801	53%	0.527	S	S	*	.			trans	-63.6	108.8	157.2	-76.8	160	0	0	0	105.2	V198	L196-V198 PolarHBondContact O-N 3.21Å
197	V	44.8	Very low	62.8	Low	112 Å²	112	105.3 Å²	105.3	68%	0.679	56%	0.559	S	S	*	*			trans	-63.7	95.1	156.1	-166.8	0	0	0	0	102.9	G195 D199	G195-V197 PolarHBondContact O-N 3.27Å; G195-V197 VanDerWaalsContact O-N 3.14Å; V197-D199 PolarHBondContact O-N 3.24Å; V197-D199 VanDerWaalsContact O-N 3.11Å
198	V	41.8	Very low	59.8	Low	121 Å²	121	112.3 Å²	112.3	73%	0.733	60%	0.596	S	S	*	*			trans	-56.8	116.6	159.7	180	0	0	0	0	102.6	L196 K200	L196-V198 PolarHBondContact O-N 3.21Å; V198-K200 PolarHBondContact O-N 3.18Å
199	D	37.6	Very low	57.3	Low	126 Å²	126	121.3 Å²	121.3	67%	0.674	64%	0.638	S	S	*	*			trans	-41.1	116	179.2	-66.5	-52.6	0	0	0	108.1	V197 E201	V197-D199 PolarHBondContact O-N 3.24Å; V197-D199 VanDerWaalsContact O-N 3.11Å; D199-E201 HydrophobicContact CB-CB 4.45Å; D199-E201 HydrophobicContact CB-CG 4.41Å; D199-E201 PolarHBondContact O-N 2.86Å
200	K	38.3	Very low	54.3	Low	203 Å²	203	127.1 Å²	127.1	88%	0.883	67%	0.673	S	S	*	*			trans	-74.9	57.3	163.2	-79.7	-173	174	-177.8	0	107.2	V198	V198-K200 PolarHBondContact O-N 3.18Å
201	E	37.9	Very low	51.5	Low	163 Å²	163	125.9 Å²	125.9	76%	0.762	68%	0.684	S	S	*	*			trans	-97.7	121.5	158.6	-69.8	-167	165.1	0	0	106	D199	D199-E201 HydrophobicContact CB-CB 4.45Å; D199-E201 HydrophobicContact CB-CG 4.41Å; D199-E201 PolarHBondContact O-N 2.86Å
202	N	33.7	Very low	48.9	Very low	147 Å²	147	125.9 Å²	125.9	79%	0.786	69%	0.691	S	S	*	*			trans	76.9	68	-174.4	-62.7	-18.2	0	0	0	117.2	S204	N202-S204 PolarHBondContact O-N 3.14Å; N202-S204 VanDerWaalsContact O-N 3.11Å
203	S	41.2	Very low	46.1	Very low	128 Å²	128	133.7 Å²	133.7	90%	0.895	73%	0.725	S	S	*	*			trans	-69.7	82.8	134.4	58.9	0	0	0	0	109
204	S	36.3	Very low	43.4	Very low	88 Å²	88	137.2 Å²	137.2	62%	0.615	75%	0.752	S	S	*	*			trans	-98.6	121.7	157	57.4	0	0	0	0	108.3	N202 I206	N202-S204 PolarHBondContact O-N 3.14Å; N202-S204 VanDerWaalsContact O-N 3.11Å; S204-I206 PolarHBondContact O-N 3.34Å; S204-I206 VanDerWaalsContact O-N 3.14Å
205	S	45.4	Very low	41	Very low	120 Å²	120	141 Å²	141	84%	0.839	77%	0.768	S	S	*	*			trans	-70.8	99.5	177	48.2	0	0	0	0	110.1
206	I	38.1	Very low	39.4	Very low	139 Å²	139	148.2 Å²	148.2	71%	0.713	80%	0.8	S	S	*	*			trans	-130.9	99.7	157.4	-58.7	-179.9	0	0	0	107.8	S204	S204-I206 PolarHBondContact O-N 3.34Å; S204-I206 VanDerWaalsContact O-N 3.14Å
207	R	46.5	Very low	38.7	Very low	235 Å²	235	144.3 Å²	144.3	89%	0.887	80%	0.796	S	S	*	*			trans	-64.3	127.9	155.9	-67.1	177.3	178.6	-175.3	-1.2	106.7
208	N	35	Very low	38.3	Very low	148 Å²	148	149 Å²	149	79%	0.791	81%	0.808	S	S	*	*			trans	-142.5	110.4	145.7	-89.9	-24.2	0	0	0	106.8
209	E	45.4	Very low	38.1	Very low	188 Å²	188	152 Å²	152	88%	0.879	82%	0.819	S	S	*	*			trans	-64.3	141.3	169.2	-62.7	-177.9	150	0	0	109.7
210	T	34.8	Very low	38.2	Very low	136 Å²	136	150.4 Å²	150.4	83%	0.834	82%	0.823	S	S	*	*			trans	-162.7	150.6	151.8	1.6	0	0	0	0	109.1
211	P	38.5	Very low	38.3	Very low	114 Å²	114	147.1 Å²	147.1	74%	0.74	82%	0.815	S	S	*	*			trans	-98.9	163.8	-135.1	3.6	19.4	0	0	0	112.8	H213	P211-H213 PolarHBondContact O-N 2.94Å
212	L	40.2	Very low	38.6	Very low	180 Å²	180	145 Å²	145	94%	0.942	82%	0.816	S	S	*	*			trans	-60.1	117.2	167.2	-77.2	156.3	0	0	0	110.1
213	H	38.2	Very low	39	Very low	187 Å²	187	144.9 Å²	144.9	87%	0.866	82%	0.815	S	S	*	*			trans	-126.9	126.9	163.6	-135.2	-81.6	0	0	0	110.7	P211	P211-H213 PolarHBondContact O-N 2.94Å
214	V	37.2	Very low	39	Very low	125 Å²	125	144.5 Å²	144.5	76%	0.758	81%	0.807	S	S	*	*			trans	-64.4	136.4	-171.1	-179.2	0	0	0	0	111.8	L216	V214-L216 PolarHBondContact O-N 3.11Å
215	P	36.5	Very low	39.1	Very low	125 Å²	125	145.8 Å²	145.8	81%	0.812	81%	0.813	S	S	*	*			trans	-76.7	113.8	168.2	-9.6	26.3	0	0	0	110.6
216	L	34.7	Very low	38.8	Very low	175 Å²	175	151.1 Å²	151.1	92%	0.916	82%	0.815	S	S	*	*			trans	-69.8	141.3	166.6	-164.1	72.7	0	0	0	109.8	V214	V214-L216 PolarHBondContact O-N 3.11Å
217	G	31.4	Very low	38.9	Very low	70 Å²	70	154.5 Å²	154.5	72%	0.722	83%	0.825	S	S	*	*			trans	-44.7	150.9	-166.5	0	0	0	0	0	120.2
218	K	35.5	Very low	38.6	Very low	212 Å²	212	150.6 Å²	150.6	92%	0.922	82%	0.821	S	S	*	*			trans	-130.7	119.1	137.6	-76.8	-172.8	177.5	178.4	0	108.4
219	L	38.1	Very low	38.9	Very low	183 Å²	183	153.1 Å²	153.1	96%	0.958	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-59.2	128.3	173.7	-83.7	127.4	0	0	0	110.2
220	A	38.7	Very low	38.8	Very low	93 Å²	93	149.3 Å²	149.3	77%	0.769	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-94.3	126.9	164.2	0	0	0	0	0	108.6
221	D	41.9	Very low	39.3	Very low	133 Å²	133	148 Å²	148	71%	0.711	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-61	131.2	-179.3	-165.8	-19.6	0	0	0	111.7	N223	D221-N223 VanDerWaalsContact C-N 3.33Å; D221-N223 PolarHBondContact O-N 2.87Å
222	P	43.4	Very low	39.5	Very low	120 Å²	120	151 Å²	151	78%	0.779	82%	0.822	S	S	*	*	S	Bend	trans	-79.9	-0.7	-171.5	-6	23.6	0	0	0	115.5
223	N	41.2	Very low	39.8	Very low	143 Å²	143	150.7 Å²	150.7	77%	0.765	82%	0.815	S	S	*	*			trans	-108.9	31.8	-163.1	-90.4	-23.3	0	0	0	117.3	D221 P225	D221-N223 VanDerWaalsContact C-N 3.33Å; D221-N223 PolarHBondContact O-N 2.87Å; N223-P225 WeakPolarHBondContact O-CD 3.44Å
224	V	42.2	Very low	40	Very low	120 Å²	120	153.5 Å²	153.5	73%	0.727	84%	0.835	S	S	*	*			trans	-105.1	107.8	170.4	-173.7	0	0	0	0	110.9	R226	V224-R226 PolarHBondContact O-N 3.32Å
225	P	39.1	Very low	40.1	Very low	116 Å²	116	155 Å²	155	75%	0.753	84%	0.839	S	S	*	*			trans	-70.6	114.5	174.3	26.4	-29.5	0	0	0	110	N223 K227	N223-P225 WeakPolarHBondContact O-CD 3.44Å; P225-K227 PolarHBondContact O-N 3.11Å
226	R	38.7	Very low	40.3	Very low	232 Å²	232	156.5 Å²	156.5	88%	0.875	84%	0.841	S	S	*	*			trans	-68.7	110	169.7	-70.3	-179.2	178	174.1	-0.1	108.8	V224 L228	V224-R226 PolarHBondContact O-N 3.32Å; R226-L228 PolarHBondContact O-N 3.14Å; R226-L228 VanDerWaalsContact O-N 3.09Å
227	K	39.1	Very low	40.6	Very low	210 Å²	210	155.5 Å²	155.5	91%	0.913	84%	0.836	S	S	*	*			trans	-66.3	107	171.3	-74.6	-174.8	176.6	-179.2	0	109.5	P225	P225-K227 PolarHBondContact O-N 3.11Å
228	L	40	Very low	41.1	Very low	153 Å²	153	160.5 Å²	160.5	80%	0.801	84%	0.843	S	S	*	*			trans	-79.4	140.7	166.2	-81.9	153.6	0	0	0	109.3	R226	R226-L228 PolarHBondContact O-N 3.14Å; R226-L228 VanDerWaalsContact O-N 3.09Å
229	F	42.7	Very low	41.5	Very low	200 Å²	200	157.3 Å²	157.3	88%	0.877	84%	0.838	S	S	*	*			trans	-30.9	136.6	-179.2	-63.4	-92.7	0	0	0	116.6
230	S	43	Very low	41.7	Very low	108 Å²	108	155.6 Å²	155.6	76%	0.755	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-79.8	139.3	166.7	62	0	0	0	0	111
231	P	44.2	Very low	41.9	Very low	108 Å²	108	160.1 Å²	160.1	70%	0.701	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-77.5	130.2	171.6	29.7	-28.7	0	0	0	110.7	H233	P231-H233 PolarHBondContact O-N 3.24Å
232	L	43.8	Very low	41.9	Very low	178 Å²	178	162.2 Å²	162.2	93%	0.932	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-66	119	164.1	-78.7	154.5	0	0	0	108.1
233	H	45.6	Very low	41.8	Very low	174 Å²	174	165.7 Å²	165.7	81%	0.806	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-79.1	148.1	167.5	-94.6	-90.1	0	0	0	110.3	P231	P231-H233 PolarHBondContact O-N 3.24Å
234	L	42.2	Very low	41.9	Very low	246 Å²	246	167.7 Å²	167.7	100%	1.288	86%	0.857	S	S	*	*			trans	-43.5	0	179.7	-85.1	93.4	0	0	0	115

Retrieved 234 of 234 residues in 294.5 ms (Link to these results)

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