A0A087YBV4_POEFO Loading...

Acetyl-CoA carboxylase kinase

AlphaFold DB , UniProt , Accession A0A087YBV4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 557 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.4	Very low	41.7	Very low	226 Å²	226	158.3 Å²	158.3	100%	1.113	79%	0.79	S	S	*	*				0	-29	0	-72.2	-163.2	-172	0	0	113.8	E3	M1-E3 PolarHBondContact O-N 3.18Å
2	A	42.3	Very low	44.1	Very low	84 Å²	84	155.6 Å²	155.6	69%	0.694	76%	0.763	S	S	*	*	G	3₁₀ helix	trans	-55.4	-41.1	-172.9	0	0	0	0	0	115.4	R4 Q5	A2-R4 PolarHBondContact O-N 3.31Å; A2-R4 VanDerWaalsContact O-N 3.12Å; A2-Q5 PolarHBondContact O-N 3.12Å
3	E	36.9	Very low	47.2	Very low	160 Å²	160	151.5 Å²	151.5	75%	0.748	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-63.8	-23.9	-170	-63.2	150.4	128.1	0	0	114.3	M1 Q5 Q6	M1-E3 PolarHBondContact O-N 3.18Å; E3-Q5 PolarHBondContact O-N 3.29Å; E3-Q6 PolarHBondContact O-N 3.37Å
4	R	36.6	Very low	50.2	Low	229 Å²	229	148.6 Å²	148.6	86%	0.864	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-71.8	-6	-178.7	-82.1	-168.3	174.9	-170	-0.9	114.9	A2	A2-R4 PolarHBondContact O-N 3.31Å; A2-R4 VanDerWaalsContact O-N 3.12Å
5	Q	37.9	Very low	52.5	Low	166 Å²	166	140.1 Å²	140.1	78%	0.776	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-90.9	-21.4	175.3	-66.7	-168.9	-2.9	0	0	113.6	A2 E3	A2-Q5 PolarHBondContact O-N 3.12Å; E3-Q5 PolarHBondContact O-N 3.29Å
6	Q	36	Very low	54.5	Low	167 Å²	167	133.8 Å²	133.8	78%	0.78	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-78.2	-27.2	-169.2	-131.3	140.9	3.7	0	0	113.6	E3 K8	E3-Q6 PolarHBondContact O-N 3.37Å; Q6-K8 VanDerWaalsContact C-N 3.29Å; Q6-K8 PolarHBondContact O-N 3.2Å
7	Q	34.8	Very low	56.2	Low	172 Å²	172	132.2 Å²	132.2	80%	0.804	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-81.5	14.2	-177.7	-71.4	179.7	-30.4	0	0	115.4
8	K	41.6	Very low	58	Low	167 Å²	167	126.7 Å²	126.7	73%	0.726	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-110.2	20.2	-176.9	-116.4	-176.6	-177	-176	0	115.4	Q6 R12	Q6-K8 VanDerWaalsContact C-N 3.29Å; Q6-K8 PolarHBondContact O-N 3.2Å; K8-R12 PolarHBondContact O-NE 3.24Å; K8-R12 PolarHBondContact O-NH2 3.48Å
9	H	46.6	Very low	59.9	Low	101 Å²	101	121.1 Å²	121.1	47%	0.468	61%	0.606	S	S	.	*			trans	-114.8	-17.5	-177	-92.6	-82.9	0	0	0	115.7	G11	H9-G11 PolarHBondContact O-N 2.61Å
10	E	43.1	Very low	61.6	Low	188 Å²	188	116 Å²	116	88%	0.879	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	130.5	174.2	-61.7	-175	138	0	0	110.1
11	G	59.7	Low	63.2	Low	81 Å²	81	112 Å²	112	84%	0.835	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	92.9	-1.2	180	0	0	0	0	0	117.1	H9	H9-G11 PolarHBondContact O-N 2.61Å
12	R	70.6	Confident	65.6	Low	126 Å²	126	107.2 Å²	107.2	48%	0.475	55%	0.547	S	S	.	.			trans	-76.1	129.8	173.5	-61.2	-166.5	-170.1	-164.5	5.8	111.8	K8 K14 I19	K8-R12 PolarHBondContact O-NE 3.24Å; K8-R12 PolarHBondContact O-NH2 3.48Å; R12-K14 PolarHBondContact O-N 3.32Å; R12-I19 HydrophobicContact CB-CG2 3.89Å
13	V	84.3	Confident	68.1	Low	102 Å²	102	106.4 Å²	106.4	62%	0.618	53%	0.533	S	S	*	.			trans	-64.4	129.6	178.4	-175.2	0	0	0	0	110.4	L20	V13-L20 HydrophobicContact CG1-CD1 4.09Å; V13-L20 PolarHBondContact O-N 2.79Å
14	K	88.6	Confident	70.6	Confident	112 Å²	112	102.6 Å²	102.6	49%	0.487	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143	-175.9	174.6	177.8	170.2	171.2	0	110.7	R12 G16 Y18	R12-K14 PolarHBondContact O-N 3.32Å; K14-G16 WeakPolarHBondContact CE-O 3.35Å; K14-Y18 CarbonylContact C-O 3.51Å; K14-Y18 VanDerWaalsContact CA-O 3.31Å; K14-Y18 WeakPolarHBondContact CA-O 3.48Å
15	I	85.5	Confident	73	Confident	21 Å²	21	93 Å²	93	11%	0.108	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	124.2	170.6	-171.6	65.1	0	0	0	109.8	H17 Y18 L20 I85 T87 F92	I15-H17 PolarHBondContact O-N 2.8Å; I15-Y18 PolarHBondContact N-O 3.12Å; I15-Y18 WeakPolarHBondContact O-CB 3.16Å; I15-Y18 PolarHBondContact O-N 3.05Å; I15-L20 HydrophobicContact CG2-CD1 4.18Å; I15-L20 HydrophobicContact CG2-CD2 3.87Å; I15-L20 HydrophobicContact CG2-CG 4.08Å; I15-I85 HydrophobicContact CD1-CG2 3.94Å; I15-I85 HydrophobicContact CG1-CB 4.45Å; I15-I85 HydrophobicContact CG1-CD1 3.96Å; I15-I85 HydrophobicContact CG1-CG2 4.17Å; I15-T87 HydrophobicContact CD1-CG2 3.99Å; I15-F92 HydrophobicContact CB-CD1 4.38Å; I15-F92 HydrophobicContact CB-CE1 4.47Å; I15-F92 HydrophobicContact CD1-CD2 3.94Å; I15-F92 HydrophobicContact CD1-CE2 3.88Å; I15-F92 HydrophobicContact CD1-CG 4.33Å; I15-F92 HydrophobicContact CD1-CZ 4.2Å; I15-F92 HydrophobicContact CG1-CB 4.31Å; I15-F92 HydrophobicContact CG1-CD1 3.96Å; I15-F92 HydrophobicContact CG1-CD2 3.96Å; I15-F92 HydrophobicContact CG1-CE1 4.24Å; I15-F92 HydrophobicContact CG1-CE2 4.25Å; I15-F92 HydrophobicContact CG1-CG 3.83Å; I15-F92 HydrophobicContact CG1-CZ 4.39Å; I15-F92 HydrophobicContact CG2-CD1 4.19Å
16	G	85	Confident	75.1	Confident	39 Å²	39	90.3 Å²	90.3	40%	0.402	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	-128	-167.9	0	0	0	0	0	111.2	K14	K14-G16 WeakPolarHBondContact CE-O 3.35Å
17	H	83	Confident	76.8	Confident	107 Å²	107	83.7 Å²	83.7	50%	0.495	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	16.3	173.9	-65.2	-92.8	0	0	0	114.1	I15 H37 Q38	I15-H17 PolarHBondContact O-N 2.8Å; H17-H37 VanDerWaalsContact CB-CD2 3.47Å; H17-H37 WeakPolarHBondContact CB-CD2 3.43Å; H17-H37 VanDerWaalsContact CB-NE2 3.26Å; H17-H37 WeakPolarHBondContact CB-NE2 3.48Å; H17-H37 PolarHBondContact O-CD2 2.94Å; H17-Q38 WeakPolarHBondContact O-CB 3.46Å; H17-Q38 WeakPolarHBondContact O-CG 3.41Å; H17-Q38 PolarHBondContact O-N 2.94Å
18	Y	87.9	Confident	78.3	Confident	32 Å²	32	80.3 Å²	80.3	13%	0.125	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.1	-173.5	-61.3	-93.4	0	0	0	112	K14 I15 Q36 H37 V44 V94	K14-Y18 CarbonylContact C-O 3.51Å; K14-Y18 VanDerWaalsContact CA-O 3.31Å; K14-Y18 WeakPolarHBondContact CA-O 3.48Å; I15-Y18 PolarHBondContact N-O 3.12Å; I15-Y18 WeakPolarHBondContact O-CB 3.16Å; I15-Y18 PolarHBondContact O-N 3.05Å; Y18-Q36 WeakPolarHBondContact CA-O 3.17Å; Y18-H37 HydrophobicContact CD1-CB 3.94Å; Y18-H37 HydrophobicContact CE1-CB 3.66Å; Y18-H37 AromaticContact CE1-CD2 3.85Å; Y18-H37 AromaticContact CE2-CD2 3.93Å; Y18-H37 AromaticContact CZ-CD2 3.69Å; Y18-V44 HydrophobicContact CD1-CG1 4.37Å; Y18-V44 HydrophobicContact CD1-CG2 3.39Å; Y18-V44 HydrophobicContact CE1-CB 4.29Å; Y18-V44 HydrophobicContact CE1-CG1 3.7Å; Y18-V44 HydrophobicContact CE1-CG2 3.58Å; Y18-V44 HydrophobicContact CG-CG2 4.34Å; Y18-V94 HydrophobicContact CE1-CG1 4.23Å
19	I	93.9	Very high	79.6	Confident	21 Å²	21	73.5 Å²	73.5	11%	0.108	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	126.9	166.6	-61.5	172.9	0	0	0	107.7	R12 G35 Q36 Q38	R12-I19 HydrophobicContact CB-CG2 3.89Å; I19-G35 CarbonylContact O-C 3.55Å; I19-G35 VanDerWaalsContact O-CA 3.27Å; I19-G35 WeakPolarHBondContact O-CA 3.33Å; I19-Q36 PolarHBondContact N-O 3.23Å; I19-Q36 PolarHBondContact O-N 2.68Å; I19-Q38 HydrophobicContact CD1-CG 3.89Å; I19-Q38 HydrophobicContact CG1-CG 3.68Å
20	L	94.9	Very high	81.1	Confident	19 Å²	19	69.4 Å²	69.4	10%	0.099	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	132.1	174.2	-60	-177.8	0	0	0	110.5	V13 I15 K33 V46 I48 F92	V13-L20 HydrophobicContact CG1-CD1 4.09Å; V13-L20 PolarHBondContact O-N 2.79Å; I15-L20 HydrophobicContact CG2-CD1 4.18Å; I15-L20 HydrophobicContact CG2-CD2 3.87Å; I15-L20 HydrophobicContact CG2-CG 4.08Å; L20-K33 HydrophobicContact CB-CD 4.39Å; L20-V46 HydrophobicContact CD2-CB 3.95Å; L20-V46 HydrophobicContact CD2-CG1 4.07Å; L20-V46 HydrophobicContact CD2-CG2 3.78Å; L20-I48 HydrophobicContact CD1-CD1 4.12Å; L20-F92 HydrophobicContact CD1-CE1 4.38Å
21	G	94.3	Very high	83.4	Confident	31 Å²	31	66 Å²	66	32%	0.32	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-137.8	175.1	0	0	0	0	0	111.9	K33 I34	G21-K33 PolarHBondContact O-NZ 3.13Å; G21-I34 PolarHBondContact N-O 2.92Å
22	D	94.3	Very high	85	Confident	127 Å²	127	63.6 Å²	63.6	68%	0.679	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	164.5	-175.8	-55.3	-61.6	0	0	0	113.9	K33 I34	D22-K33 CarbonylContact O-C 3.55Å; D22-K33 VanDerWaalsContact O-CA 3.23Å; D22-K33 WeakPolarHBondContact O-CA 3.38Å; D22-K33 WeakPolarHBondContact O-CB 3.45Å; D22-I34 PolarHBondContact O-N 3.23Å
23	T	94.5	Very high	86.2	Confident	66 Å²	66	60.2 Å²	60.2	41%	0.405	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	120.1	178.3	-47.3	0	0	0	0	108.6	G25 V26 K31 V32 K33	T23-G25 WeakPolarHBondContact CG2-O 3.44Å; T23-V26 HydrophobicContact CG2-CG2 4.21Å; T23-K31 HydrophobicContact CG2-CB 4.29Å; T23-V32 CarbonylContact C-O 3.18Å; T23-V32 WeakPolarHBondContact CA-O 3.27Å; T23-V32 WeakPolarHBondContact CG2-O 3.36Å; T23-K33 PolarHBondContact OG1-NZ 3.26Å
24	L	90	Very high	86.7	Confident	81 Å²	81	56.7 Å²	56.7	42%	0.424	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-35.1	177.4	-64.5	172.5	0	0	0	111.6	V32 I34 A45 Y97	L24-V32 HydrophobicContact CB-CG1 4.33Å; L24-V32 HydrophobicContact CD1-CG1 4.37Å; L24-V32 PolarHBondContact N-O 3.26Å; L24-I34 HydrophobicContact CD1-CB 3.94Å; L24-I34 HydrophobicContact CD1-CG1 4.49Å; L24-I34 HydrophobicContact CD2-CB 4.17Å; L24-I34 HydrophobicContact CG-CB 4.04Å; L24-A45 HydrophobicContact CD1-CB 4.42Å; L24-Y97 HydrophobicContact CD1-CD2 3.8Å; L24-Y97 HydrophobicContact CD1-CE2 3.73Å; L24-Y97 HydrophobicContact CD2-CE2 3.98Å
25	G	85.7	Confident	86.9	Confident	28 Å²	28	51.4 Å²	51.4	29%	0.289	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	167.7	-179.5	0	0	0	0	0	113.3	T23 V32	T23-G25 WeakPolarHBondContact CG2-O 3.44Å; G25-V32 PolarHBondContact N-O 3.32Å; G25-V32 PolarHBondContact O-N 2.91Å
26	V	82.7	Confident	87.1	Confident	109 Å²	109	54.7 Å²	54.7	66%	0.661	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129	103.8	178.5	-176.5	0	0	0	0	108.9	T23 K31	T23-V26 HydrophobicContact CG2-CG2 4.21Å; V26-K31 HydrophobicContact CG1-CG 4.37Å; V26-K31 HydrophobicContact CG2-CG 4.26Å
27	G	71.5	Confident	86.9	Confident	28 Å²	28	54.3 Å²	54.3	29%	0.289	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	169.4	177.7	0	0	0	0	0	112.7	F29 G30	G27-F29 PolarHBondContact O-N 2.71Å; G27-G30 PolarHBondContact N-O 3.35Å; G27-G30 PolarHBondContact O-N 2.84Å
28	T	67.7	Low	86.8	Confident	101 Å²	101	53.4 Å²	53.4	62%	0.62	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	-39.7	-177.6	-53.2	0	0	0	0	113.6	K53	T28-K53 PolarHBondContact O-NZ 2.8Å
29	F	67.9	Low	86.3	Confident	24 Å²	24	58.4 Å²	58.4	11%	0.105	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-10.1	-173.5	-53.6	-62.4	0	0	0	114.8	G27 L49 V59	G27-F29 PolarHBondContact O-N 2.71Å; F29-L49 HydrophobicContact CB-CD2 3.81Å; F29-V59 HydrophobicContact CD1-CG2 4.11Å; F29-V59 HydrophobicContact CE1-CB 4.41Å; F29-V59 HydrophobicContact CE1-CG1 4.03Å; F29-V59 HydrophobicContact CE1-CG2 4.12Å
30	G	78.9	Confident	85.4	Confident	15 Å²	15	62.1 Å²	62.1	16%	0.155	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177	-177.2	-169.9	0	0	0	0	0	115.4	G27 I48	G27-G30 PolarHBondContact N-O 3.35Å; G27-G30 PolarHBondContact O-N 2.84Å; G30-I48 WeakPolarHBondContact CA-O 3.34Å
31	K	90.7	Very high	84.5	Confident	117 Å²	117	62.9 Å²	62.9	51%	0.509	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	140.2	176.5	-62.6	-171.2	178.4	-175.6	0	110.1	T23 V26 I48	T23-K31 HydrophobicContact CG2-CB 4.29Å; V26-K31 HydrophobicContact CG1-CG 4.37Å; V26-K31 HydrophobicContact CG2-CG 4.26Å; K31-I48 PolarHBondContact N-O 3.48Å; K31-I48 PolarHBondContact O-N 3.26Å
32	V	92.9	Very high	83.7	Confident	30 Å²	30	66.1 Å²	66.1	18%	0.182	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.2	169.2	-173.3	0	0	0	0	108	T23 L24 G25 A45 V46 K47	T23-V32 CarbonylContact C-O 3.18Å; T23-V32 WeakPolarHBondContact CA-O 3.27Å; T23-V32 WeakPolarHBondContact CG2-O 3.36Å; L24-V32 HydrophobicContact CB-CG1 4.33Å; L24-V32 HydrophobicContact CD1-CG1 4.37Å; L24-V32 PolarHBondContact N-O 3.26Å; G25-V32 PolarHBondContact N-O 3.32Å; G25-V32 PolarHBondContact O-N 2.91Å; V32-A45 HydrophobicContact CG1-CB 4.16Å; V32-V46 WeakPolarHBondContact CA-O 3.16Å; V32-K47 HydrophobicContact CG2-CB 4.22Å; V32-K47 HydrophobicContact CG2-CG 4.14Å
33	K	95.3	Very high	83.3	Confident	54 Å²	54	65.3 Å²	65.3	24%	0.235	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	151.2	174.5	-79.6	-175.2	159.1	-70.3	0	110.9	L20 G21 D22 T23 V46 I48	L20-K33 HydrophobicContact CB-CD 4.39Å; G21-K33 PolarHBondContact O-NZ 3.13Å; D22-K33 CarbonylContact O-C 3.55Å; D22-K33 VanDerWaalsContact O-CA 3.23Å; D22-K33 WeakPolarHBondContact O-CA 3.38Å; D22-K33 WeakPolarHBondContact O-CB 3.45Å; T23-K33 PolarHBondContact OG1-NZ 3.26Å; K33-V46 PolarHBondContact N-O 3.14Å; K33-V46 PolarHBondContact O-N 3.42Å; K33-I48 HydrophobicContact CD-CD1 4.01Å; K33-I48 HydrophobicContact CG-CD1 4.37Å
34	I	95.4	Very high	83.1	Confident	29 Å²	29	62.1 Å²	62.1	15%	0.149	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	137.8	164.3	-162.9	169.6	0	0	0	108.8	G21 D22 L24 K43 Y97	G21-I34 PolarHBondContact N-O 2.92Å; D22-I34 PolarHBondContact O-N 3.23Å; L24-I34 HydrophobicContact CD1-CB 3.94Å; L24-I34 HydrophobicContact CD1-CG1 4.49Å; L24-I34 HydrophobicContact CD2-CB 4.17Å; L24-I34 HydrophobicContact CG-CB 4.04Å; I34-K43 HydrophobicContact CD1-CD 4.24Å; I34-Y97 HydrophobicContact CD1-CD2 4.15Å; I34-Y97 HydrophobicContact CD1-CE1 4.31Å; I34-Y97 HydrophobicContact CD1-CE2 3.67Å; I34-Y97 HydrophobicContact CG1-CD2 4.13Å; I34-Y97 HydrophobicContact CG1-CE2 4.07Å
35	G	93.9	Very high	83.3	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.01	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	151.1	170.6	0	0	0	0	0	110.6	I19 K43 V44	I19-G35 CarbonylContact O-C 3.55Å; I19-G35 VanDerWaalsContact O-CA 3.27Å; I19-G35 WeakPolarHBondContact O-CA 3.33Å; G35-K43 WeakPolarHBondContact O-CA 3.2Å; G35-V44 PolarHBondContact N-O 2.85Å; G35-V44 PolarHBondContact O-N 3.44Å
36	Q	88.5	Confident	83.6	Confident	90 Å²	90	57.4 Å²	57.4	42%	0.421	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126.3	170.4	-164.3	177.3	18.7	0	0	110.4	Y18 I19 Q38 G41 H42	Y18-Q36 WeakPolarHBondContact CA-O 3.17Å; I19-Q36 PolarHBondContact N-O 3.23Å; I19-Q36 PolarHBondContact O-N 2.68Å; Q36-Q38 PolarHBondContact O-N 3.13Å; Q36-G41 VanDerWaalsContact CG-O 3.27Å; Q36-G41 WeakPolarHBondContact CG-O 3.4Å; Q36-G41 PolarHBondContact NE2-O 3.25Å; Q36-H42 CarbonylContact C-O 3.48Å; Q36-H42 WeakPolarHBondContact CA-O 3.48Å
37	H	81	Confident	84.1	Confident	31 Å²	31	52.8 Å²	52.8	14%	0.144	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	125.8	177.5	-171.6	-120.3	0	0	0	110.7	H17 Y18 L39 T40 G41 H42	H17-H37 VanDerWaalsContact CB-CD2 3.47Å; H17-H37 WeakPolarHBondContact CB-CD2 3.43Å; H17-H37 VanDerWaalsContact CB-NE2 3.26Å; H17-H37 WeakPolarHBondContact CB-NE2 3.48Å; H17-H37 PolarHBondContact O-CD2 2.94Å; Y18-H37 HydrophobicContact CD1-CB 3.94Å; Y18-H37 HydrophobicContact CE1-CB 3.66Å; Y18-H37 AromaticContact CE1-CD2 3.85Å; Y18-H37 AromaticContact CE2-CD2 3.93Å; Y18-H37 AromaticContact CZ-CD2 3.69Å; H37-L39 VanDerWaalsContact C-N 3.33Å; H37-L39 PolarHBondContact O-N 2.94Å; H37-T40 PolarHBondContact ND1-OG1 3.19Å; H37-G41 WeakPolarHBondContact O-CA 3.13Å; H37-G41 PolarHBondContact O-N 3.13Å; H37-H42 HydrophobicContact CB-CB 4.36Å; H37-H42 PolarHBondContact N-O 3.22Å
38	Q	80.6	Confident	85.1	Confident	88 Å²	88	53 Å²	53	41%	0.411	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-32.8	-169.6	-75	-171.2	-43.9	0	0	114.2	H17 I19 Q36	H17-Q38 WeakPolarHBondContact O-CB 3.46Å; H17-Q38 WeakPolarHBondContact O-CG 3.41Å; H17-Q38 PolarHBondContact O-N 2.94Å; I19-Q38 HydrophobicContact CD1-CG 3.89Å; I19-Q38 HydrophobicContact CG1-CG 3.68Å; Q36-Q38 PolarHBondContact O-N 3.13Å
39	L	77.8	Confident	86.1	Confident	137 Å²	137	48.2 Å²	48.2	72%	0.717	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	-28.8	-173	-57.8	177.3	0	0	0	113.3	H37	H37-L39 VanDerWaalsContact C-N 3.33Å; H37-L39 PolarHBondContact O-N 2.94Å
40	T	76	Confident	87.1	Confident	99 Å²	99	49.5 Å²	49.5	61%	0.607	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116	-5	-173.8	62	0	0	0	0	113.7	H37 H42	H37-T40 PolarHBondContact ND1-OG1 3.19Å; T40-H42 PolarHBondContact O-N 2.87Å; T40-H42 WeakPolarHBondContact OG1-CB 3.45Å
41	G	75.3	Confident	87.5	Confident	35 Å²	35	53 Å²	53	36%	0.361	27%	0.266	S	S	.	.			trans	66.7	0.2	-175.1	0	0	0	0	0	115.1	Q36 H37	Q36-G41 VanDerWaalsContact CG-O 3.27Å; Q36-G41 WeakPolarHBondContact CG-O 3.4Å; Q36-G41 PolarHBondContact NE2-O 3.25Å; H37-G41 WeakPolarHBondContact O-CA 3.13Å; H37-G41 PolarHBondContact O-N 3.13Å
42	H	77.6	Confident	87.3	Confident	98 Å²	98	55 Å²	55	45%	0.454	28%	0.277	S	S	.	.			trans	-64.3	138.3	-175.1	-172.1	80.9	0	0	0	111.9	Q36 H37 T40	Q36-H42 CarbonylContact C-O 3.48Å; Q36-H42 WeakPolarHBondContact CA-O 3.48Å; H37-H42 HydrophobicContact CB-CB 4.36Å; H37-H42 PolarHBondContact N-O 3.22Å; T40-H42 PolarHBondContact O-N 2.87Å; T40-H42 WeakPolarHBondContact OG1-CB 3.45Å
43	K	86.3	Confident	86.9	Confident	110 Å²	110	58 Å²	58	48%	0.478	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	140.2	-177.6	-68.6	176.6	175.2	-178.6	0	110.8	I34 G35 Y97	I34-K43 HydrophobicContact CD1-CD 4.24Å; G35-K43 WeakPolarHBondContact O-CA 3.2Å; K43-Y97 HydrophobicContact CB-CD1 3.86Å; K43-Y97 HydrophobicContact CB-CE1 4.5Å; K43-Y97 HydrophobicContact CB-CG 4.23Å; K43-Y97 HydrophobicContact CD-CD1 4.37Å; K43-Y97 HydrophobicContact CD-CE1 4.21Å
44	V	89.1	Confident	86.3	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	157.6	-179.4	-64.5	0	0	0	0	110.9	Y18 G35 V46 Y82 V94 M95	Y18-V44 HydrophobicContact CD1-CG1 4.37Å; Y18-V44 HydrophobicContact CD1-CG2 3.39Å; Y18-V44 HydrophobicContact CE1-CB 4.29Å; Y18-V44 HydrophobicContact CE1-CG1 3.7Å; Y18-V44 HydrophobicContact CE1-CG2 3.58Å; Y18-V44 HydrophobicContact CG-CG2 4.34Å; G35-V44 PolarHBondContact N-O 2.85Å; G35-V44 PolarHBondContact O-N 3.44Å; V44-V46 HydrophobicContact CG2-CG2 3.98Å; V44-Y82 HydrophobicContact CG1-CD2 4.12Å; V44-Y82 HydrophobicContact CG1-CE2 4.08Å; V44-V94 HydrophobicContact CB-CG1 3.73Å; V44-V94 HydrophobicContact CG1-CG1 4Å; V44-V94 HydrophobicContact CG2-CG1 3.66Å; V44-M95 WeakPolarHBondContact CA-O 3.32Å; V44-M95 WeakPolarHBondContact CB-O 3.27Å
45	A	93.8	Very high	85.8	Confident	10 Å²	10	64 Å²	64	8%	0.083	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	131.3	168.8	0	0	0	0	0	109.3	L24 V32 V94 M95	L24-A45 HydrophobicContact CD1-CB 4.42Å; V32-A45 HydrophobicContact CG1-CB 4.16Å; A45-V94 WeakPolarHBondContact O-CA 3.41Å; A45-M95 HydrophobicContact CB-CB 4.45Å; A45-M95 HydrophobicContact CB-CE 4.18Å; A45-M95 PolarHBondContact N-O 3.39Å; A45-M95 PolarHBondContact O-N 2.87Å
46	V	93.3	Very high	85.3	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	104.7	-177.8	-171.9	0	0	0	0	109.7	L20 V32 K33 V44 I48 F92 M93 V94	L20-V46 HydrophobicContact CD2-CB 3.95Å; L20-V46 HydrophobicContact CD2-CG1 4.07Å; L20-V46 HydrophobicContact CD2-CG2 3.78Å; V32-V46 WeakPolarHBondContact CA-O 3.16Å; K33-V46 PolarHBondContact N-O 3.14Å; K33-V46 PolarHBondContact O-N 3.42Å; V44-V46 HydrophobicContact CG2-CG2 3.98Å; V46-I48 HydrophobicContact CG1-CG1 4.19Å; V46-F92 HydrophobicContact CG1-CB 4.1Å; V46-F92 HydrophobicContact CG1-CD1 3.98Å; V46-M93 CarbonylContact C-O 3.52Å; V46-M93 WeakPolarHBondContact CA-O 3.43Å; V46-V94 HydrophobicContact CG1-CG2 4.32Å; V46-V94 HydrophobicContact CG2-CG1 4.43Å; V46-V94 HydrophobicContact CG2-CG2 4.26Å
47	K	92.2	Very high	84.8	Confident	12 Å²	12	68.4 Å²	68.4	5%	0.052	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	113.6	175.9	-172.1	-179.6	-166.5	179	0	108.7	V32 L49 E66 M93 M95 D159	V32-K47 HydrophobicContact CG2-CB 4.22Å; V32-K47 HydrophobicContact CG2-CG 4.14Å; K47-L49 HydrophobicContact CD-CD2 4.43Å; K47-L49 HydrophobicContact CG-CD2 3.98Å; K47-L49 HydrophobicContact CG-CG 4.31Å; K47-E66 IonicContact NZ-OE1 2.78Å; K47-E66 PolarHBondContact NZ-OE1 3.09Å; K47-M93 HydrophobicContact CB-CB 4.27Å; K47-M93 HydrophobicContact CD-SD 4.39Å; K47-M93 PolarHBondContact N-O 2.92Å; K47-M93 PolarHBondContact O-N 2.96Å; K47-M95 HydrophobicContact CB-CE 3.82Å; K47-M95 HydrophobicContact CB-SD 4.45Å; K47-M95 HydrophobicContact CD-CE 4.49Å; K47-D159 VanDerWaalsContact NZ-CG 3.3Å; K47-D159 IonicContact NZ-OD1 3.75Å; K47-D159 PolarHBondContact NZ-OD1 2.86Å; K47-D159 IonicContact NZ-OD2 3.31Å
48	I	92.4	Very high	84.7	Confident	32 Å²	32	72.4 Å²	72.4	16%	0.164	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	112.3	-172.8	-49.8	177.3	0	0	0	109.1	L20 G30 K31 K33 V46 D90 F92	L20-I48 HydrophobicContact CD1-CD1 4.12Å; G30-I48 WeakPolarHBondContact CA-O 3.34Å; K31-I48 PolarHBondContact N-O 3.48Å; K31-I48 PolarHBondContact O-N 3.26Å; K33-I48 HydrophobicContact CD-CD1 4.01Å; K33-I48 HydrophobicContact CG-CD1 4.37Å; V46-I48 HydrophobicContact CG1-CG1 4.19Å; I48-D90 HydrophobicContact CG2-CB 4.39Å; I48-F92 HydrophobicContact CB-CD1 4.43Å; I48-F92 HydrophobicContact CB-CE1 4.47Å; I48-F92 HydrophobicContact CD1-CD1 4.32Å; I48-F92 HydrophobicContact CD1-CE1 4.07Å; I48-F92 HydrophobicContact CG1-CD1 3.84Å; I48-F92 HydrophobicContact CG1-CE1 4.01Å; I48-F92 HydrophobicContact CG2-CD1 4.1Å; I48-F92 HydrophobicContact CG2-CE1 3.76Å; I48-F92 HydrophobicContact CG2-CZ 4.2Å
49	L	88.9	Confident	84.6	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	114.5	-172	-54.9	176.7	0	0	0	110.9	F29 K47 I54 I63 D90 F91 M93	F29-L49 HydrophobicContact CB-CD2 3.81Å; K47-L49 HydrophobicContact CD-CD2 4.43Å; K47-L49 HydrophobicContact CG-CD2 3.98Å; K47-L49 HydrophobicContact CG-CG 4.31Å; L49-I54 HydrophobicContact CB-CD1 3.97Å; L49-I63 HydrophobicContact CD1-CD1 4.31Å; L49-I63 HydrophobicContact CD1-CG1 4.47Å; L49-I63 HydrophobicContact CD1-CG2 3.87Å; L49-D90 WeakPolarHBondContact O-CA 3.45Å; L49-F91 HydrophobicContact CB-CB 4.46Å; L49-F91 PolarHBondContact N-O 2.79Å; L49-F91 PolarHBondContact O-N 3.16Å; L49-M93 HydrophobicContact CD1-SD 3.61Å
50	N	89.3	Confident	84.8	Confident	52 Å²	52	65 Å²	65	28%	0.278	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	126.2	-171.2	178	-92.5	0	0	0	113.7	Q52 K53 I54 T89 D90	N50-Q52 VanDerWaalsContact C-N 3.29Å; N50-Q52 PolarHBondContact O-N 2.71Å; N50-Q52 WeakPolarHBondContact OD1-CB 3.18Å; N50-Q52 PolarHBondContact OD1-N 2.98Å; N50-Q52 VanDerWaalsContact OD1-N 3.08Å; N50-K53 HydrophobicContact CB-CB 4.24Å; N50-K53 PolarHBondContact O-N 3.37Å; N50-K53 VanDerWaalsContact O-N 3.16Å; N50-K53 PolarHBondContact OD1-N 3.28Å; N50-I54 VanDerWaalsContact O-CG1 3.22Å; N50-I54 WeakPolarHBondContact O-CG1 3.23Å; N50-I54 PolarHBondContact O-N 2.94Å; N50-T89 PolarHBondContact ND2-O 2.59Å; N50-D90 VanDerWaalsContact CA-OD1 3.24Å; N50-D90 WeakPolarHBondContact CA-OD1 3.43Å; N50-D90 WeakPolarHBondContact CB-OD1 3.48Å; N50-D90 PolarHBondContact ND2-OD1 3.29Å
51	R	87.3	Confident	84.7	Confident	89 Å²	89	62.3 Å²	62.3	34%	0.336	32%	0.321	S	S	.	.	H	α-helix	trans	-66.9	-26	-171.5	-60.9	169	95.6	-133.2	10.5	113.5	R55 T87 P88 T89 F91	R51-R55 VanDerWaalsContact O-CG 3.28Å; R51-R55 WeakPolarHBondContact O-CG 3.3Å; R51-R55 PolarHBondContact O-N 3.47Å; R51-T87 VanDerWaalsContact CD-O 3.23Å; R51-T87 WeakPolarHBondContact CD-O 3.41Å; R51-T87 PolarHBondContact NE-O 3.41Å; R51-P88 WeakPolarHBondContact CD-O 3.21Å; R51-P88 PolarHBondContact NH1-O 2.96Å; R51-T89 WeakPolarHBondContact CB-O 3.47Å; R51-T89 VanDerWaalsContact CD-C 3.46Å; R51-T89 VanDerWaalsContact CG-O 3.27Å; R51-T89 WeakPolarHBondContact CG-O 3.31Å; R51-T89 PolarHBondContact N-O 3.47Å; R51-F91 HydrophobicContact CG-CD2 3.76Å; R51-F91 HydrophobicContact CG-CE2 3.68Å; R51-F91 HydrophobicContact CG-CG 4.46Å; R51-F91 HydrophobicContact CG-CZ 4.3Å
52	Q	86.3	Confident	84.7	Confident	158 Å²	158	65.2 Å²	65.2	74%	0.738	32%	0.324	S	S	*	.	H	α-helix	trans	-73.3	-48.3	172.8	-65.4	-177.3	-15.1	0	0	110.8	N50 I54 R55 S56	N50-Q52 VanDerWaalsContact C-N 3.29Å; N50-Q52 PolarHBondContact O-N 2.71Å; N50-Q52 WeakPolarHBondContact OD1-CB 3.18Å; N50-Q52 PolarHBondContact OD1-N 2.98Å; N50-Q52 VanDerWaalsContact OD1-N 3.08Å; Q52-I54 VanDerWaalsContact C-N 3.29Å; Q52-I54 PolarHBondContact O-N 3.31Å; Q52-R55 PolarHBondContact O-N 2.77Å; Q52-R55 VanDerWaalsContact O-N 3.13Å; Q52-S56 PolarHBondContact O-N 2.85Å; Q52-S56 PolarHBondContact O-OG 3.11Å
53	K	84.6	Confident	84.9	Confident	92 Å²	92	60.9 Å²	60.9	40%	0.4	30%	0.304	S	S	.	.	H	α-helix	trans	-58.8	-38.2	175.9	-164.4	-174.6	-173.2	-171.8	0	112.5	T28 N50 S56 L57	T28-K53 PolarHBondContact O-NZ 2.8Å; N50-K53 HydrophobicContact CB-CB 4.24Å; N50-K53 PolarHBondContact O-N 3.37Å; N50-K53 VanDerWaalsContact O-N 3.16Å; N50-K53 PolarHBondContact OD1-N 3.28Å; K53-S56 PolarHBondContact O-OG 2.97Å; K53-L57 HydrophobicContact CG-CD1 4.01Å; K53-L57 WeakPolarHBondContact O-CG 3.48Å; K53-L57 PolarHBondContact O-N 2.7Å
54	I	83.2	Confident	84.5	Confident	8 Å²	8	62.1 Å²	62.1	4%	0.041	31%	0.309	C	S	.	.	H	α-helix	trans	-62.8	-43.8	176.1	-65.9	169.5	0	0	0	111.4	L49 N50 Q52 D58 V59 V60 I63 F91	L49-I54 HydrophobicContact CB-CD1 3.97Å; N50-I54 VanDerWaalsContact O-CG1 3.22Å; N50-I54 WeakPolarHBondContact O-CG1 3.23Å; N50-I54 PolarHBondContact O-N 2.94Å; Q52-I54 VanDerWaalsContact C-N 3.29Å; Q52-I54 PolarHBondContact O-N 3.31Å; I54-D58 PolarHBondContact O-N 3.11Å; I54-V59 HydrophobicContact CB-CG2 4.44Å; I54-V59 HydrophobicContact CG2-CG2 4.17Å; I54-V59 PolarHBondContact O-N 3.39Å; I54-V59 VanDerWaalsContact O-N 3.16Å; I54-V60 HydrophobicContact CG2-CB 4.29Å; I54-V60 HydrophobicContact CG2-CG2 3.72Å; I54-I63 HydrophobicContact CB-CD1 4.44Å; I54-I63 HydrophobicContact CD1-CD1 3.75Å; I54-I63 HydrophobicContact CG1-CD1 3.56Å; I54-I63 HydrophobicContact CG2-CD1 4.12Å; I54-F91 HydrophobicContact CD1-CD2 3.77Å; I54-F91 HydrophobicContact CD1-CE2 4.14Å
55	R	84.1	Confident	83.8	Confident	201 Å²	201	64.3 Å²	64.3	76%	0.758	32%	0.318	S	S	*	.	H	α-helix	trans	-73.9	-35.5	-179.1	-70.2	176.6	81.1	176.6	6.2	112.5	R51 Q52 L57 D58 V60	R51-R55 VanDerWaalsContact O-CG 3.28Å; R51-R55 WeakPolarHBondContact O-CG 3.3Å; R51-R55 PolarHBondContact O-N 3.47Å; Q52-R55 PolarHBondContact O-N 2.77Å; Q52-R55 VanDerWaalsContact O-N 3.13Å; R55-L57 VanDerWaalsContact C-N 3.3Å; R55-L57 PolarHBondContact O-N 3.17Å; R55-D58 PolarHBondContact O-N 2.83Å; R55-V60 HydrophobicContact CG-CG2 4.29Å
56	S	83.1	Confident	83.2	Confident	95 Å²	95	64 Å²	64	66%	0.664	32%	0.315	S	S	*	.	H	α-helix	trans	-72.7	-20.8	178.6	64.4	0	0	0	0	114	Q52 K53	Q52-S56 PolarHBondContact O-N 2.85Å; Q52-S56 PolarHBondContact O-OG 3.11Å; K53-S56 PolarHBondContact O-OG 2.97Å
57	L	79.5	Confident	82.5	Confident	90 Å²	90	65.3 Å²	65.3	47%	0.471	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	1.4	176.1	-62.7	175.6	0	0	0	113.7	K53 R55 V59	K53-L57 HydrophobicContact CG-CD1 4.01Å; K53-L57 WeakPolarHBondContact O-CG 3.48Å; K53-L57 PolarHBondContact O-N 2.7Å; R55-L57 VanDerWaalsContact C-N 3.3Å; R55-L57 PolarHBondContact O-N 3.17Å; L57-V59 HydrophobicContact CB-CG1 4.11Å; L57-V59 HydrophobicContact CB-CG2 4.16Å; L57-V59 WeakPolarHBondContact O-CG1 3.36Å; L57-V59 PolarHBondContact O-N 3Å
58	D	78.8	Confident	81.7	Confident	114 Å²	114	70 Å²	70	61%	0.61	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	33.4	-173.8	-159.6	26.3	0	0	0	114.8	I54 R55	I54-D58 PolarHBondContact O-N 3.11Å; R55-D58 PolarHBondContact O-N 2.83Å
59	V	78.6	Confident	80.7	Confident	10 Å²	10	68.8 Å²	68.8	6%	0.061	34%	0.337	C	S	.	.			trans	-94.3	12.5	-178.7	-63.2	0	0	0	0	113.8	F29 I54 L57 G61 K62 I63	F29-V59 HydrophobicContact CD1-CG2 4.11Å; F29-V59 HydrophobicContact CE1-CB 4.41Å; F29-V59 HydrophobicContact CE1-CG1 4.03Å; F29-V59 HydrophobicContact CE1-CG2 4.12Å; I54-V59 HydrophobicContact CB-CG2 4.44Å; I54-V59 HydrophobicContact CG2-CG2 4.17Å; I54-V59 PolarHBondContact O-N 3.39Å; I54-V59 VanDerWaalsContact O-N 3.16Å; L57-V59 HydrophobicContact CB-CG1 4.11Å; L57-V59 HydrophobicContact CB-CG2 4.16Å; L57-V59 WeakPolarHBondContact O-CG1 3.36Å; L57-V59 PolarHBondContact O-N 3Å; V59-G61 VanDerWaalsContact C-N 3.29Å; V59-G61 PolarHBondContact O-N 2.8Å; V59-K62 HydrophobicContact CB-CB 4.4Å; V59-K62 HydrophobicContact CB-CD 4.37Å; V59-K62 HydrophobicContact CG1-CD 4.1Å; V59-K62 WeakPolarHBondContact O-CB 3.11Å; V59-K62 PolarHBondContact O-N 3.49Å; V59-I63 HydrophobicContact CG2-CD1 3.98Å; V59-I63 PolarHBondContact O-N 2.87Å; V59-I63 VanDerWaalsContact O-N 3.11Å
60	V	80.3	Confident	80.1	Confident	60 Å²	60	69.2 Å²	69.2	36%	0.364	34%	0.34	S	S	.	.	H	α-helix	trans	-53	-45.9	179.3	-178.7	0	0	0	0	111.3	I54 R55 K62 K64	I54-V60 HydrophobicContact CG2-CB 4.29Å; I54-V60 HydrophobicContact CG2-CG2 3.72Å; R55-V60 HydrophobicContact CG-CG2 4.29Å; V60-K62 VanDerWaalsContact C-N 3.33Å; V60-K62 PolarHBondContact O-N 2.95Å; V60-K64 WeakPolarHBondContact O-CG 3.44Å; V60-K64 PolarHBondContact O-N 2.9Å; V60-K64 VanDerWaalsContact O-N 3.07Å
61	G	75.4	Confident	79.3	Confident	42 Å²	42	73.2 Å²	73.2	43%	0.433	36%	0.355	S	S	.	.	H	α-helix	trans	-70.7	-24	179.1	0	0	0	0	0	114.3	V59 R65	V59-G61 VanDerWaalsContact C-N 3.29Å; V59-G61 PolarHBondContact O-N 2.8Å; G61-R65 WeakPolarHBondContact O-CG 3.46Å; G61-R65 PolarHBondContact O-NE 3.44Å; G61-R65 VanDerWaalsContact O-NE 3.1Å
62	K	75.5	Confident	78.4	Confident	97 Å²	97	72.7 Å²	72.7	42%	0.422	36%	0.358	S	S	.	.	H	α-helix	trans	-72.8	-51.7	174.2	-63.1	-173.8	-178.6	179.1	0	110.4	V59 V60 K64 R65 E66	V59-K62 HydrophobicContact CB-CB 4.4Å; V59-K62 HydrophobicContact CB-CD 4.37Å; V59-K62 HydrophobicContact CG1-CD 4.1Å; V59-K62 WeakPolarHBondContact O-CB 3.11Å; V59-K62 PolarHBondContact O-N 3.49Å; V60-K62 VanDerWaalsContact C-N 3.33Å; V60-K62 PolarHBondContact O-N 2.95Å; K62-K64 VanDerWaalsContact C-N 3.35Å; K62-K64 PolarHBondContact O-N 3.18Å; K62-R65 PolarHBondContact O-N 3.44Å; K62-R65 VanDerWaalsContact O-N 3.12Å; K62-E66 PolarHBondContact O-N 3.11Å
63	I	80.6	Confident	78.1	Confident	6 Å²	6	65.6 Å²	65.6	3%	0.031	32%	0.324	C	S	.	.	H	α-helix	trans	-68	-32.8	-176.9	-69.4	165.2	0	0	0	112.1	L49 I54 V59 I67	L49-I63 HydrophobicContact CD1-CD1 4.31Å; L49-I63 HydrophobicContact CD1-CG1 4.47Å; L49-I63 HydrophobicContact CD1-CG2 3.87Å; I54-I63 HydrophobicContact CB-CD1 4.44Å; I54-I63 HydrophobicContact CD1-CD1 3.75Å; I54-I63 HydrophobicContact CG1-CD1 3.56Å; I54-I63 HydrophobicContact CG2-CD1 4.12Å; V59-I63 HydrophobicContact CG2-CD1 3.98Å; V59-I63 PolarHBondContact O-N 2.87Å; V59-I63 VanDerWaalsContact O-N 3.11Å; I63-I67 HydrophobicContact CG2-CD1 3.86Å; I63-I67 WeakPolarHBondContact O-CB 3.45Å; I63-I67 WeakPolarHBondContact O-CD1 3.5Å; I63-I67 VanDerWaalsContact O-CG1 3.31Å; I63-I67 WeakPolarHBondContact O-CG1 3.34Å; I63-I67 PolarHBondContact O-N 3.49Å
64	K	77.8	Confident	77.8	Confident	136 Å²	136	66 Å²	66	59%	0.591	32%	0.324	S	S	*	.	H	α-helix	trans	-57.4	-48.3	169.6	-83	-170.6	170.6	-165.3	0	112	V60 K62 I67 Q68	V60-K64 WeakPolarHBondContact O-CG 3.44Å; V60-K64 PolarHBondContact O-N 2.9Å; V60-K64 VanDerWaalsContact O-N 3.07Å; K62-K64 VanDerWaalsContact C-N 3.35Å; K62-K64 PolarHBondContact O-N 3.18Å; K64-I67 PolarHBondContact O-N 2.82Å; K64-Q68 WeakPolarHBondContact O-CG 3.47Å; K64-Q68 PolarHBondContact O-N 3.3Å; K64-Q68 PolarHBondContact O-OE1 3.48Å
65	R	74.6	Confident	77.8	Confident	46 Å²	46	66.2 Å²	66.2	17%	0.174	32%	0.324	C	S	.	.	H	α-helix	trans	-70.1	-39.6	179.9	-64.3	178	-52.1	146.5	25.9	112.1	G61 K62 I67 Q68 N69 N164	G61-R65 WeakPolarHBondContact O-CG 3.46Å; G61-R65 PolarHBondContact O-NE 3.44Å; G61-R65 VanDerWaalsContact O-NE 3.1Å; K62-R65 PolarHBondContact O-N 3.44Å; K62-R65 VanDerWaalsContact O-N 3.12Å; R65-I67 VanDerWaalsContact C-N 3.27Å; R65-I67 PolarHBondContact O-N 3.02Å; R65-Q68 PolarHBondContact O-N 3.48Å; R65-Q68 VanDerWaalsContact O-N 3.09Å; R65-N69 WeakPolarHBondContact O-CB 3.43Å; R65-N69 PolarHBondContact O-N 3.13Å; R65-N69 PolarHBondContact O-OD1 2.92Å; R65-N164 VanDerWaalsContact CZ-OD1 3.24Å; R65-N164 PolarHBondContact NH1-OD1 3.12Å; R65-N164 PolarHBondContact NH2-OD1 3.33Å
66	E	82.4	Confident	78	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.019	31%	0.305	C	S	.	.	H	α-helix	trans	-52.6	-45.9	170.7	-173.8	-170.9	163.8	0	0	111.3	K47 K62 L70 M93 F160	K47-E66 IonicContact NZ-OE1 2.78Å; K47-E66 PolarHBondContact NZ-OE1 3.09Å; K62-E66 PolarHBondContact O-N 3.11Å; E66-L70 HydrophobicContact CG-CD1 4.05Å; E66-L70 VanDerWaalsContact O-CB 3.26Å; E66-L70 WeakPolarHBondContact O-CB 3.45Å; E66-L70 WeakPolarHBondContact O-CG 3.41Å; E66-L70 PolarHBondContact O-N 3.2Å; E66-L70 VanDerWaalsContact O-N 3.08Å; E66-M93 HydrophobicContact CG-CE 4.32Å; E66-F160 HydrophobicContact CG-CB 4.3Å
67	I	78.3	Confident	78.6	Confident	27 Å²	27	55 Å²	55	14%	0.138	28%	0.275	C	S	.	.	H	α-helix	trans	-69.4	-35.7	176.7	-70.5	164.9	0	0	0	112.6	I63 K64 R65 K71 V84 M93	I63-I67 HydrophobicContact CG2-CD1 3.86Å; I63-I67 WeakPolarHBondContact O-CB 3.45Å; I63-I67 WeakPolarHBondContact O-CD1 3.5Å; I63-I67 VanDerWaalsContact O-CG1 3.31Å; I63-I67 WeakPolarHBondContact O-CG1 3.34Å; I63-I67 PolarHBondContact O-N 3.49Å; K64-I67 PolarHBondContact O-N 2.82Å; R65-I67 VanDerWaalsContact C-N 3.27Å; R65-I67 PolarHBondContact O-N 3.02Å; I67-K71 HydrophobicContact CG2-CD 4.35Å; I67-K71 WeakPolarHBondContact O-CB 3.37Å; I67-K71 VanDerWaalsContact O-CG 3.24Å; I67-K71 WeakPolarHBondContact O-CG 3.32Å; I67-K71 PolarHBondContact O-N 3.08Å; I67-V84 HydrophobicContact CD1-CG1 4.2Å; I67-V84 HydrophobicContact CD1-CG2 4.46Å; I67-V84 HydrophobicContact CG1-CG2 4.27Å; I67-V84 HydrophobicContact CG2-CG2 3.88Å; I67-M93 HydrophobicContact CD1-CG 4.43Å; I67-M93 HydrophobicContact CD1-SD 4.26Å; I67-M93 HydrophobicContact CG1-CE 3.98Å; I67-M93 HydrophobicContact CG1-CG 4.22Å; I67-M93 HydrophobicContact CG1-SD 3.85Å
68	Q	74.8	Confident	79.3	Confident	111 Å²	111	50.9 Å²	50.9	52%	0.519	25%	0.253	S	S	.	.	H	α-helix	trans	-67.3	-53.3	177.1	-73	169.2	-89.5	0	0	110.8	K64 R65 L70 K71 L72	K64-Q68 WeakPolarHBondContact O-CG 3.47Å; K64-Q68 PolarHBondContact O-N 3.3Å; K64-Q68 PolarHBondContact O-OE1 3.48Å; R65-Q68 PolarHBondContact O-N 3.48Å; R65-Q68 VanDerWaalsContact O-N 3.09Å; Q68-L70 PolarHBondContact O-N 2.83Å; Q68-K71 WeakPolarHBondContact O-CB 3.5Å; Q68-K71 PolarHBondContact O-N 2.94Å; Q68-L72 PolarHBondContact O-N 2.83Å
69	N	72.2	Confident	79.8	Confident	7 Å²	7	46 Å²	46	4%	0.037	23%	0.227	C	C	.	.	H	α-helix	trans	-57.6	-50.7	179.4	-59.1	12.4	0	0	0	111	R65 K71 L72 F73 V137	R65-N69 WeakPolarHBondContact O-CB 3.43Å; R65-N69 PolarHBondContact O-N 3.13Å; R65-N69 PolarHBondContact O-OD1 2.92Å; N69-K71 VanDerWaalsContact C-N 3.26Å; N69-K71 PolarHBondContact O-N 2.78Å; N69-L72 PolarHBondContact O-N 3.45Å; N69-F73 VanDerWaalsContact O-CD1 3.28Å; N69-F73 WeakPolarHBondContact O-CD1 3.41Å; N69-F73 VanDerWaalsContact O-CG 3.32Å; N69-F73 WeakPolarHBondContact O-CG 3.36Å; N69-F73 PolarHBondContact O-N 2.8Å; N69-V137 HydrophobicContact CB-CG2 4.25Å; N69-V137 VanDerWaalsContact ND2-CG2 3.3Å; N69-V137 WeakPolarHBondContact ND2-CG2 3.23Å
70	L	75.6	Confident	80.1	Confident	9 Å²	9	49.1 Å²	49.1	5%	0.047	24%	0.24	C	C	.	.	H	α-helix	trans	-67.2	-19.8	-179.1	-76	174.9	0	0	0	114.6	E66 Q68 L81 M93 F160	E66-L70 HydrophobicContact CG-CD1 4.05Å; E66-L70 VanDerWaalsContact O-CB 3.26Å; E66-L70 WeakPolarHBondContact O-CB 3.45Å; E66-L70 WeakPolarHBondContact O-CG 3.41Å; E66-L70 PolarHBondContact O-N 3.2Å; E66-L70 VanDerWaalsContact O-N 3.08Å; Q68-L70 PolarHBondContact O-N 2.83Å; L70-L81 HydrophobicContact CB-CB 3.94Å; L70-L81 HydrophobicContact CB-CD2 3.71Å; L70-L81 HydrophobicContact CB-CG 4.47Å; L70-L81 WeakPolarHBondContact O-CB 3.49Å; L70-M93 HydrophobicContact CD1-CE 3.73Å; L70-F160 HydrophobicContact CD1-CB 4.42Å; L70-F160 HydrophobicContact CD2-CB 4.48Å; L70-F160 HydrophobicContact CD2-CD2 3.62Å; L70-F160 HydrophobicContact CD2-CE2 4.03Å; L70-F160 HydrophobicContact CD2-CG 4.05Å; L70-F160 HydrophobicContact CG-CB 4.37Å; L70-F160 HydrophobicContact CG-CD2 4.4Å; L70-F160 HydrophobicContact CG-CG 4.43Å
71	K	73.3	Confident	80.1	Confident	136 Å²	136	47.2 Å²	47.2	59%	0.591	23%	0.227	S	C	*	.	H	α-helix	trans	-73.5	-34.4	174.3	-90.9	179.3	168.7	-160.3	0	112.7	I67 Q68 N69 L81	I67-K71 HydrophobicContact CG2-CD 4.35Å; I67-K71 WeakPolarHBondContact O-CB 3.37Å; I67-K71 VanDerWaalsContact O-CG 3.24Å; I67-K71 WeakPolarHBondContact O-CG 3.32Å; I67-K71 PolarHBondContact O-N 3.08Å; Q68-K71 WeakPolarHBondContact O-CB 3.5Å; Q68-K71 PolarHBondContact O-N 2.94Å; N69-K71 VanDerWaalsContact C-N 3.26Å; N69-K71 PolarHBondContact O-N 2.78Å; K71-L81 HydrophobicContact CG-CD2 4.14Å
72	L	67.9	Low	80.3	Confident	77 Å²	77	50 Å²	50	40%	0.403	23%	0.226	S	C	.	.	H	α-helix	trans	-80	-36.1	179.9	-61.1	173.5	0	0	0	110.6	Q68 N69 R74 V289 E292	Q68-L72 PolarHBondContact O-N 2.83Å; N69-L72 PolarHBondContact O-N 3.45Å; L72-R74 PolarHBondContact O-N 3.03Å; L72-V289 WeakPolarHBondContact O-CG2 3.12Å; L72-E292 WeakPolarHBondContact CD1-OE1 3.45Å
73	F	78.8	Confident	80.5	Confident	9 Å²	9	48.8 Å²	48.8	4%	0.039	22%	0.221	C	C	.	.			trans	-65.2	121.8	-173.3	-72.3	2.7	0	0	0	114.7	N69 I78 Y131 C132 H135 V137 F160	N69-F73 VanDerWaalsContact O-CD1 3.28Å; N69-F73 WeakPolarHBondContact O-CD1 3.41Å; N69-F73 VanDerWaalsContact O-CG 3.32Å; N69-F73 WeakPolarHBondContact O-CG 3.36Å; N69-F73 PolarHBondContact O-N 2.8Å; F73-I78 HydrophobicContact CD2-CD1 4.1Å; F73-I78 HydrophobicContact CD2-CG2 4.34Å; F73-Y131 HydrophobicContact CB-CE1 4.1Å; F73-Y131 AromaticContact CD1-CE1 3.82Å; F73-Y131 HydrophobicContact CD1-CE1 3.82Å; F73-Y131 HydrophobicContact CE1-CE1 4.34Å; F73-Y131 AromaticContact CG-CE1 3.93Å; F73-Y131 HydrophobicContact CG-CE1 3.93Å; F73-C132 HydrophobicContact CZ-CB 4.47Å; F73-H135 HydrophobicContact CE1-CB 3.67Å; F73-H135 HydrophobicContact CZ-CB 4.31Å; F73-V137 HydrophobicContact CE1-CG2 4.26Å; F73-V137 HydrophobicContact CE2-CG1 4.42Å; F73-V137 HydrophobicContact CZ-CB 3.79Å; F73-V137 HydrophobicContact CZ-CG1 4.12Å; F73-V137 HydrophobicContact CZ-CG2 3.7Å; F73-F160 HydrophobicContact CD2-CE1 4.14Å; F73-F160 HydrophobicContact CD2-CZ 4.22Å; F73-F160 HydrophobicContact CE2-CD1 4.18Å; F73-F160 AromaticContact CE2-CE1 3.58Å; F73-F160 HydrophobicContact CE2-CE1 3.58Å; F73-F160 HydrophobicContact CE2-CZ 4.07Å
74	R	78.4	Confident	80.6	Confident	101 Å²	101	50.7 Å²	50.7	38%	0.381	23%	0.233	S	C	.	.			trans	-135.3	46.8	179.9	-67.1	175.2	175	-166.3	1.1	113.1	L72 Y131 T288 V289 Y314	L72-R74 PolarHBondContact O-N 3.03Å; R74-Y131 PolarHBondContact N-OH 2.84Å; R74-T288 WeakPolarHBondContact CB-OG1 3.3Å; R74-T288 WeakPolarHBondContact CD-O 3.28Å; R74-T288 PolarHBondContact NH1-O 3.37Å; R74-T288 PolarHBondContact O-OG1 2.8Å; R74-V289 HydrophobicContact CB-CG2 3.97Å; R74-V289 HydrophobicContact CG-CG2 4.34Å; R74-Y314 PolarHBondContact NH1-OH 3.09Å; R74-Y314 PolarHBondContact NH2-OH 3.38Å; R74-Y314 VanDerWaalsContact NH2-OH 3.09Å
75	H	84.3	Confident	80.9	Confident	13 Å²	13	45.8 Å²	45.8	6%	0.06	21%	0.213	C	C	.	.			trans	-88.9	147.2	176.1	-165.5	-108.2	0	0	0	112.3	H77 I78 S127 A128 Y131	H75-H77 VanDerWaalsContact C-N 3.28Å; H75-H77 AromaticContact CE1-CD2 3.97Å; H75-H77 PolarHBondContact ND1-N 2.91Å; H75-H77 PolarHBondContact O-N 3.36Å; H75-I78 HydrophobicContact CB-CB 4.1Å; H75-I78 HydrophobicContact CB-CD1 3.73Å; H75-I78 HydrophobicContact CB-CG1 3.84Å; H75-I78 PolarHBondContact O-N 3.04Å; H75-S127 PolarHBondContact CE1-OG 3.4Å; H75-S127 PolarHBondContact NE2-OG 3.39Å; H75-S127 VanDerWaalsContact NE2-OG 3.13Å; H75-A128 VanDerWaalsContact CE1-CA 3.48Å; H75-A128 WeakPolarHBondContact CE1-CA 3.41Å; H75-A128 PolarHBondContact CE1-N 2.98Å; H75-Y131 HydrophobicContact CB-CD1 3.81Å; H75-Y131 HydrophobicContact CB-CD2 4.17Å; H75-Y131 HydrophobicContact CB-CE1 3.9Å; H75-Y131 HydrophobicContact CB-CE2 4.26Å; H75-Y131 HydrophobicContact CB-CG 3.93Å; H75-Y131 AromaticContact CD2-CD2 3.63Å; H75-Y131 AromaticContact CD2-CG 3.68Å; H75-Y131 AromaticContact CG-CG 3.89Å
76	P	87.4	Confident	81.5	Confident	54 Å²	54	47 Å²	47	35%	0.351	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-35.4	174	21	-33.3	0	0	0	113.4	K156 Y277	P76-K156 PolarHBondContact O-NZ 3.44Å; P76-Y277 HydrophobicContact CG-CE2 4.48Å
77	H	96.1	Very high	81.7	Confident	7 Å²	7	48.3 Å²	48.3	3%	0.032	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	26.2	-175.8	-57.5	-60.9	0	0	0	113.9	H75 Q124 A128 A155 K156 I157 Y277 L278	H75-H77 VanDerWaalsContact C-N 3.28Å; H75-H77 AromaticContact CE1-CD2 3.97Å; H75-H77 PolarHBondContact ND1-N 2.91Å; H75-H77 PolarHBondContact O-N 3.36Å; H77-Q124 HydrophobicContact CB-CB 4.48Å; H77-Q124 WeakPolarHBondContact CB-O 3.49Å; H77-Q124 PolarHBondContact CE1-NE2 3.32Å; H77-A128 HydrophobicContact CB-CB 3.95Å; H77-A128 VanDerWaalsContact O-CB 3.32Å; H77-A128 WeakPolarHBondContact O-CB 3.49Å; H77-A155 WeakPolarHBondContact CA-O 3.21Å; H77-A155 WeakPolarHBondContact CB-O 3.49Å; H77-A155 PolarHBondContact ND1-O 2.78Å; H77-K156 WeakPolarHBondContact O-CA 3.44Å; H77-I157 PolarHBondContact O-N 3.43Å; H77-Y277 AromaticContact NE2-CE2 3.61Å; H77-L278 VanDerWaalsContact CD2-CD2 3.47Å; H77-L278 WeakPolarHBondContact CD2-CD2 3.43Å; H77-L278 WeakPolarHBondContact NE2-CD2 3.41Å
78	I	93.7	Very high	82.3	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.01	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-127	141.9	169.5	-61.9	176.6	0	0	0	108.2	F73 H75 K80 A128 Y131 C132 F160	F73-I78 HydrophobicContact CD2-CD1 4.1Å; F73-I78 HydrophobicContact CD2-CG2 4.34Å; H75-I78 HydrophobicContact CB-CB 4.1Å; H75-I78 HydrophobicContact CB-CD1 3.73Å; H75-I78 HydrophobicContact CB-CG1 3.84Å; H75-I78 PolarHBondContact O-N 3.04Å; I78-K80 PolarHBondContact O-N 3.11Å; I78-A128 HydrophobicContact CD1-CB 4.34Å; I78-A128 HydrophobicContact CG1-CB 3.78Å; I78-Y131 HydrophobicContact CD1-CD1 3.55Å; I78-Y131 HydrophobicContact CD1-CE1 4.01Å; I78-Y131 HydrophobicContact CD1-CG 4.49Å; I78-C132 VanDerWaalsContact CD1-SG 3.59Å; I78-F160 HydrophobicContact CD1-CZ 4.47Å; I78-F160 HydrophobicContact CG2-CE2 3.83Å; I78-F160 HydrophobicContact CG2-CZ 3.97Å
79	I	91	Very high	83	Confident	13 Å²	13	51 Å²	51	7%	0.067	26%	0.264	C	S	.	.			trans	-66	114.8	173.7	-69.2	-69.2	0	0	0	109.9	M95 E96 V98 L148 K156 I157 A158	I79-M95 HydrophobicContact CG2-CB 3.91Å; I79-E96 HydrophobicContact CG2-CB 4.33Å; I79-V98 HydrophobicContact CD1-CG1 4.39Å; I79-V98 HydrophobicContact CD1-CG2 3.92Å; I79-L148 HydrophobicContact CD1-CD1 4.14Å; I79-L148 HydrophobicContact CG1-CD1 4.29Å; I79-K156 HydrophobicContact CD1-CB 3.9Å; I79-K156 HydrophobicContact CD1-CD 3.68Å; I79-K156 HydrophobicContact CD1-CG 4.48Å; I79-K156 HydrophobicContact CG1-CB 4.02Å; I79-K156 HydrophobicContact CG1-CD 4.48Å; I79-I157 PolarHBondContact N-O 2.99Å; I79-A158 HydrophobicContact CG1-CB 3.93Å
80	K	83.1	Confident	83.8	Confident	75 Å²	75	52.2 Å²	52.2	33%	0.326	27%	0.271	S	S	.	.			trans	-73.2	137.3	-177.7	-60.8	-179.5	179.9	-175.5	0	111.9	I78 Y82 M95 E96	I78-K80 PolarHBondContact O-N 3.11Å; K80-Y82 HydrophobicContact CB-CE1 4.08Å; K80-M95 CarbonylContact O-C 3.56Å; K80-M95 WeakPolarHBondContact O-CA 3.43Å; K80-M95 WeakPolarHBondContact O-CB 3.33Å; K80-E96 HydrophobicContact CB-CB 4.3Å; K80-E96 PolarHBondContact N-OE2 2.79Å; K80-E96 PolarHBondContact O-N 3.48Å
81	L	82.1	Confident	84.4	Confident	19 Å²	19	54.2 Å²	54.2	10%	0.099	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	112.2	170.5	176.8	64.1	0	0	0	109.7	L70 K71 V84 M93 M95	L70-L81 HydrophobicContact CB-CB 3.94Å; L70-L81 HydrophobicContact CB-CD2 3.71Å; L70-L81 HydrophobicContact CB-CG 4.47Å; L70-L81 WeakPolarHBondContact O-CB 3.49Å; K71-L81 HydrophobicContact CG-CD2 4.14Å; L81-V84 HydrophobicContact CD1-CG2 4.13Å; L81-V84 HydrophobicContact CD2-CG2 3.98Å; L81-V84 HydrophobicContact CG-CG2 4.41Å; L81-M93 HydrophobicContact CD1-CB 3.83Å; L81-M93 HydrophobicContact CD1-CE 4.32Å; L81-M93 HydrophobicContact CD1-CG 4.36Å; L81-M93 HydrophobicContact CD2-CE 4.38Å; L81-M95 HydrophobicContact CD1-CG 3.83Å
82	Y	78.7	Confident	85.1	Confident	102 Å²	102	48.8 Å²	48.8	40%	0.4	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-41	-178.7	-57.4	-44.9	0	0	0	112.8	V44 K80 V94 E96	V44-Y82 HydrophobicContact CG1-CD2 4.12Å; V44-Y82 HydrophobicContact CG1-CE2 4.08Å; K80-Y82 HydrophobicContact CB-CE1 4.08Å; Y82-V94 PolarHBondContact N-O 3.3Å; Y82-E96 HydrophobicContact CE2-CB 4.3Å; Y82-E96 WeakPolarHBondContact OH-CA 3.12Å; Y82-E96 WeakPolarHBondContact OH-CB 3.21Å
83	Q	78.9	Confident	86.1	Confident	71 Å²	71	45.1 Å²	45.1	33%	0.332	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	164	179.4	59.1	169.4	1.9	0	0	112.2	V94	Q83-V94 HydrophobicContact CG-CB 3.7Å; Q83-V94 HydrophobicContact CG-CG1 4.45Å; Q83-V94 HydrophobicContact CG-CG2 3.99Å; Q83-V94 PolarHBondContact N-O 3.43Å; Q83-V94 PolarHBondContact O-N 2.86Å
84	V	84.1	Confident	86.5	Confident	45 Å²	45	44.7 Å²	44.7	27%	0.273	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	118.9	168.4	-175.3	0	0	0	0	109.5	I67 L81 F92 M93	I67-V84 HydrophobicContact CD1-CG1 4.2Å; I67-V84 HydrophobicContact CD1-CG2 4.46Å; I67-V84 HydrophobicContact CG1-CG2 4.27Å; I67-V84 HydrophobicContact CG2-CG2 3.88Å; L81-V84 HydrophobicContact CD1-CG2 4.13Å; L81-V84 HydrophobicContact CD2-CG2 3.98Å; L81-V84 HydrophobicContact CG-CG2 4.41Å; V84-F92 WeakPolarHBondContact CA-O 3.18Å; V84-M93 HydrophobicContact CG1-CG 4.3Å; V84-M93 HydrophobicContact CG2-CG 4.01Å
85	I	84.3	Confident	87	Confident	34 Å²	34	40.9 Å²	40.9	17%	0.174	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	128.4	173.1	-58.3	171.8	0	0	0	108.4	I15 F92	I15-I85 HydrophobicContact CD1-CG2 3.94Å; I15-I85 HydrophobicContact CG1-CB 4.45Å; I15-I85 HydrophobicContact CG1-CD1 3.96Å; I15-I85 HydrophobicContact CG1-CG2 4.17Å; I85-F92 HydrophobicContact CB-CB 4.3Å; I85-F92 PolarHBondContact N-O 3.05Å; I85-F92 PolarHBondContact O-N 3.18Å
86	S	86.2	Confident	87.1	Confident	71 Å²	71	41.9 Å²	41.9	50%	0.497	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	134.4	174.3	-179.5	0	0	0	0	110.5	F91	S86-F91 VanDerWaalsContact OG-CE1 3.27Å; S86-F91 WeakPolarHBondContact OG-CE1 3.49Å
87	T	87.8	Confident	87.3	Confident	32 Å²	32	42.4 Å²	42.4	20%	0.196	22%	0.221	C	C	.	.			trans	-120.7	175	170.1	76.3	0	0	0	0	110.2	I15 R51 T89 D90 F92	I15-T87 HydrophobicContact CD1-CG2 3.99Å; R51-T87 VanDerWaalsContact CD-O 3.23Å; R51-T87 WeakPolarHBondContact CD-O 3.41Å; R51-T87 PolarHBondContact NE-O 3.41Å; T87-T89 PolarHBondContact O-N 3.34Å; T87-T89 PolarHBondContact OG1-N 3.45Å; T87-T89 PolarHBondContact OG1-OG1 2.98Å; T87-D90 PolarHBondContact N-O 3.06Å; T87-D90 PolarHBondContact OG1-N 2.76Å; T87-D90 PolarHBondContact OG1-O 3Å; T87-F92 HydrophobicContact CG2-CD2 4.08Å; T87-F92 HydrophobicContact CG2-CE2 3.64Å
88	P	90.5	Very high	87	Confident	114 Å²	114	43 Å²	43	74%	0.74	23%	0.225	S	C	*	.	S	Bend	trans	-59.8	-31.2	174	-27.1	37.3	0	0	0	113.6	R51	R51-P88 WeakPolarHBondContact CD-O 3.21Å; R51-P88 PolarHBondContact NH1-O 2.96Å
89	T	88.1	Confident	86.9	Confident	81 Å²	81	46.4 Å²	46.4	50%	0.497	25%	0.249	S	C	.	.	S	Bend	trans	-102.4	-35.8	-173.1	54.6	0	0	0	0	114.2	N50 R51 T87	N50-T89 PolarHBondContact ND2-O 2.59Å; R51-T89 WeakPolarHBondContact CB-O 3.47Å; R51-T89 VanDerWaalsContact CD-C 3.46Å; R51-T89 VanDerWaalsContact CG-O 3.27Å; R51-T89 WeakPolarHBondContact CG-O 3.31Å; R51-T89 PolarHBondContact N-O 3.47Å; T87-T89 PolarHBondContact O-N 3.34Å; T87-T89 PolarHBondContact OG1-N 3.45Å; T87-T89 PolarHBondContact OG1-OG1 2.98Å
90	D	89.6	Confident	86.8	Confident	31 Å²	31	47.6 Å²	47.6	17%	0.166	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	157.5	-166.6	-55.1	-81.1	0	0	0	112.1	I48 L49 N50 T87 F92	I48-D90 HydrophobicContact CG2-CB 4.39Å; L49-D90 WeakPolarHBondContact O-CA 3.45Å; N50-D90 VanDerWaalsContact CA-OD1 3.24Å; N50-D90 WeakPolarHBondContact CA-OD1 3.43Å; N50-D90 WeakPolarHBondContact CB-OD1 3.48Å; N50-D90 PolarHBondContact ND2-OD1 3.29Å; T87-D90 PolarHBondContact N-O 3.06Å; T87-D90 PolarHBondContact OG1-N 2.76Å; T87-D90 PolarHBondContact OG1-O 3Å; D90-F92 HydrophobicContact CB-CD2 4.45Å; D90-F92 HydrophobicContact CB-CE2 3.75Å; D90-F92 HydrophobicContact CB-CZ 4.08Å
91	F	87.8	Confident	87.3	Confident	51 Å²	51	45.5 Å²	45.5	22%	0.224	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	142.8	164.1	-62.7	-73.7	0	0	0	109.6	L49 R51 I54 S86	L49-F91 HydrophobicContact CB-CB 4.46Å; L49-F91 PolarHBondContact N-O 2.79Å; L49-F91 PolarHBondContact O-N 3.16Å; R51-F91 HydrophobicContact CG-CD2 3.76Å; R51-F91 HydrophobicContact CG-CE2 3.68Å; R51-F91 HydrophobicContact CG-CG 4.46Å; R51-F91 HydrophobicContact CG-CZ 4.3Å; I54-F91 HydrophobicContact CD1-CD2 3.77Å; I54-F91 HydrophobicContact CD1-CE2 4.14Å; S86-F91 VanDerWaalsContact OG-CE1 3.27Å; S86-F91 WeakPolarHBondContact OG-CE1 3.49Å
92	F	89.3	Confident	88	Confident	23 Å²	23	48.2 Å²	48.2	10%	0.101	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	105.4	178.6	-59.7	-103.6	0	0	0	108.7	I15 L20 V46 I48 V84 I85 T87 D90	I15-F92 HydrophobicContact CB-CD1 4.38Å; I15-F92 HydrophobicContact CB-CE1 4.47Å; I15-F92 HydrophobicContact CD1-CD2 3.94Å; I15-F92 HydrophobicContact CD1-CE2 3.88Å; I15-F92 HydrophobicContact CD1-CG 4.33Å; I15-F92 HydrophobicContact CD1-CZ 4.2Å; I15-F92 HydrophobicContact CG1-CB 4.31Å; I15-F92 HydrophobicContact CG1-CD1 3.96Å; I15-F92 HydrophobicContact CG1-CD2 3.96Å; I15-F92 HydrophobicContact CG1-CE1 4.24Å; I15-F92 HydrophobicContact CG1-CE2 4.25Å; I15-F92 HydrophobicContact CG1-CG 3.83Å; I15-F92 HydrophobicContact CG1-CZ 4.39Å; I15-F92 HydrophobicContact CG2-CD1 4.19Å; L20-F92 HydrophobicContact CD1-CE1 4.38Å; V46-F92 HydrophobicContact CG1-CB 4.1Å; V46-F92 HydrophobicContact CG1-CD1 3.98Å; I48-F92 HydrophobicContact CB-CD1 4.43Å; I48-F92 HydrophobicContact CB-CE1 4.47Å; I48-F92 HydrophobicContact CD1-CD1 4.32Å; I48-F92 HydrophobicContact CD1-CE1 4.07Å; I48-F92 HydrophobicContact CG1-CD1 3.84Å; I48-F92 HydrophobicContact CG1-CE1 4.01Å; I48-F92 HydrophobicContact CG2-CD1 4.1Å; I48-F92 HydrophobicContact CG2-CE1 3.76Å; I48-F92 HydrophobicContact CG2-CZ 4.2Å; V84-F92 WeakPolarHBondContact CA-O 3.18Å; I85-F92 HydrophobicContact CB-CB 4.3Å; I85-F92 PolarHBondContact N-O 3.05Å; I85-F92 PolarHBondContact O-N 3.18Å; T87-F92 HydrophobicContact CG2-CD2 4.08Å; T87-F92 HydrophobicContact CG2-CE2 3.64Å; D90-F92 HydrophobicContact CB-CD2 4.45Å; D90-F92 HydrophobicContact CB-CE2 3.75Å; D90-F92 HydrophobicContact CB-CZ 4.08Å
93	M	88.8	Confident	88.9	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	118.1	171.5	-65.9	164.7	67.3	0	0	108	V46 K47 L49 E66 I67 L70 L81 V84 M95	V46-M93 CarbonylContact C-O 3.52Å; V46-M93 WeakPolarHBondContact CA-O 3.43Å; K47-M93 HydrophobicContact CB-CB 4.27Å; K47-M93 HydrophobicContact CD-SD 4.39Å; K47-M93 PolarHBondContact N-O 2.92Å; K47-M93 PolarHBondContact O-N 2.96Å; L49-M93 HydrophobicContact CD1-SD 3.61Å; E66-M93 HydrophobicContact CG-CE 4.32Å; I67-M93 HydrophobicContact CD1-CG 4.43Å; I67-M93 HydrophobicContact CD1-SD 4.26Å; I67-M93 HydrophobicContact CG1-CE 3.98Å; I67-M93 HydrophobicContact CG1-CG 4.22Å; I67-M93 HydrophobicContact CG1-SD 3.85Å; L70-M93 HydrophobicContact CD1-CE 3.73Å; L81-M93 HydrophobicContact CD1-CB 3.83Å; L81-M93 HydrophobicContact CD1-CE 4.32Å; L81-M93 HydrophobicContact CD1-CG 4.36Å; L81-M93 HydrophobicContact CD2-CE 4.38Å; V84-M93 HydrophobicContact CG1-CG 4.3Å; V84-M93 HydrophobicContact CG2-CG 4.01Å; M93-M95 HydrophobicContact CB-CG 4.46Å
94	V	86.5	Confident	89.7	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	120	179.9	-175.6	0	0	0	0	108.6	Y18 V44 A45 V46 Y82 Q83	Y18-V94 HydrophobicContact CE1-CG1 4.23Å; V44-V94 HydrophobicContact CB-CG1 3.73Å; V44-V94 HydrophobicContact CG1-CG1 4Å; V44-V94 HydrophobicContact CG2-CG1 3.66Å; A45-V94 WeakPolarHBondContact O-CA 3.41Å; V46-V94 HydrophobicContact CG1-CG2 4.32Å; V46-V94 HydrophobicContact CG2-CG1 4.43Å; V46-V94 HydrophobicContact CG2-CG2 4.26Å; Y82-V94 PolarHBondContact N-O 3.3Å; Q83-V94 HydrophobicContact CG-CB 3.7Å; Q83-V94 HydrophobicContact CG-CG1 4.45Å; Q83-V94 HydrophobicContact CG-CG2 3.99Å; Q83-V94 PolarHBondContact N-O 3.43Å; Q83-V94 PolarHBondContact O-N 2.86Å
95	M	88.6	Confident	90.1	Very high	21 Å²	21	45.5 Å²	45.5	10%	0.103	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	165.9	-164.6	-52.4	176.7	-54.7	0	0	110.8	V44 A45 K47 I79 K80 L81 M93 Y97	V44-M95 WeakPolarHBondContact CA-O 3.32Å; V44-M95 WeakPolarHBondContact CB-O 3.27Å; A45-M95 HydrophobicContact CB-CB 4.45Å; A45-M95 HydrophobicContact CB-CE 4.18Å; A45-M95 PolarHBondContact N-O 3.39Å; A45-M95 PolarHBondContact O-N 2.87Å; K47-M95 HydrophobicContact CB-CE 3.82Å; K47-M95 HydrophobicContact CB-SD 4.45Å; K47-M95 HydrophobicContact CD-CE 4.49Å; I79-M95 HydrophobicContact CG2-CB 3.91Å; K80-M95 CarbonylContact O-C 3.56Å; K80-M95 WeakPolarHBondContact O-CA 3.43Å; K80-M95 WeakPolarHBondContact O-CB 3.33Å; L81-M95 HydrophobicContact CD1-CG 3.83Å; M93-M95 HydrophobicContact CB-CG 4.46Å; M95-Y97 PolarHBondContact O-N 3.09Å
96	E	87.1	Confident	90.7	Very high	33 Å²	33	45.6 Å²	45.6	15%	0.154	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52	134.7	169.5	-174.9	170.4	-150.4	0	0	111.5	I79 K80 Y82 K156	I79-E96 HydrophobicContact CG2-CB 4.33Å; K80-E96 HydrophobicContact CB-CB 4.3Å; K80-E96 PolarHBondContact N-OE2 2.79Å; K80-E96 PolarHBondContact O-N 3.48Å; Y82-E96 HydrophobicContact CE2-CB 4.3Å; Y82-E96 WeakPolarHBondContact OH-CA 3.12Å; Y82-E96 WeakPolarHBondContact OH-CB 3.21Å; E96-K156 VanDerWaalsContact CD-CE 3.42Å; E96-K156 VanDerWaalsContact OE1-CE 3.23Å; E96-K156 WeakPolarHBondContact OE1-CE 3.47Å; E96-K156 IonicContact OE1-NZ 2.76Å; E96-K156 PolarHBondContact OE1-NZ 3.27Å; E96-K156 WeakPolarHBondContact OE2-CE 3.26Å; E96-K156 IonicContact OE2-NZ 3.18Å; E96-K156 PolarHBondContact OE2-NZ 3.42Å
97	Y	91.3	Very high	91.2	Very high	66 Å²	66	42.8 Å²	42.8	26%	0.259	24%	0.244	S	C	.	.			trans	-103.5	130.2	172.7	172.8	-96	0	0	0	110.1	L24 I34 K43 M95	L24-Y97 HydrophobicContact CD1-CD2 3.8Å; L24-Y97 HydrophobicContact CD1-CE2 3.73Å; L24-Y97 HydrophobicContact CD2-CE2 3.98Å; I34-Y97 HydrophobicContact CD1-CD2 4.15Å; I34-Y97 HydrophobicContact CD1-CE1 4.31Å; I34-Y97 HydrophobicContact CD1-CE2 3.67Å; I34-Y97 HydrophobicContact CG1-CD2 4.13Å; I34-Y97 HydrophobicContact CG1-CE2 4.07Å; K43-Y97 HydrophobicContact CB-CD1 3.86Å; K43-Y97 HydrophobicContact CB-CE1 4.5Å; K43-Y97 HydrophobicContact CB-CG 4.23Å; K43-Y97 HydrophobicContact CD-CD1 4.37Å; K43-Y97 HydrophobicContact CD-CE1 4.21Å; M95-Y97 PolarHBondContact O-N 3.09Å
98	V	89.9	Confident	91.5	Very high	19 Å²	19	45 Å²	45	12%	0.115	26%	0.26	C	S	.	.			trans	-120.7	146.1	171.3	-72.4	0	0	0	0	110.9	I79 L148 L149 D150 K156	I79-V98 HydrophobicContact CD1-CG1 4.39Å; I79-V98 HydrophobicContact CD1-CG2 3.92Å; V98-L148 HydrophobicContact CG2-CB 3.55Å; V98-L148 HydrophobicContact CG2-CD1 3.9Å; V98-L148 HydrophobicContact CG2-CG 4.38Å; V98-L149 WeakPolarHBondContact CB-O 3.3Å; V98-D150 HydrophobicContact CB-CB 4.25Å; V98-D150 HydrophobicContact CG1-CB 3.75Å; V98-K156 HydrophobicContact CG1-CD 3.71Å
99	S	90.8	Very high	91.6	Very high	73 Å²	73	46.2 Å²	46.2	51%	0.51	25%	0.253	S	S	.	.	S	Bend	trans	-106.9	-5.2	-165.4	55.3	0	0	0	0	115.6	G101	S99-G101 VanDerWaalsContact C-N 3.33Å
100	G	90.2	Very high	91.7	Very high	39 Å²	39	47 Å²	47	40%	0.402	25%	0.254	S	S	.	.	S	Bend	trans	-79.6	-13.2	179.5	0	0	0	0	0	114.2	L149	G100-L149 WeakPolarHBondContact CA-O 3.36Å; G100-L149 PolarHBondContact N-O 3.28Å
101	G	93.8	Very high	91.9	Very high	31 Å²	31	47.1 Å²	47.1	32%	0.32	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	84.1	-156.7	-176.9	0	0	0	0	0	112.8	S99 L148 L149	S99-G101 VanDerWaalsContact C-N 3.33Å; G101-L148 CarbonylContact O-C 3.56Å; G101-L148 VanDerWaalsContact O-CA 3.31Å; G101-L148 WeakPolarHBondContact O-CA 3.28Å; G101-L149 PolarHBondContact O-N 3.25Å
102	E	95.6	Very high	92.1	Very high	76 Å²	76	52.1 Å²	52.1	36%	0.355	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	148	179.2	-60.8	174.5	-159.9	0	0	111.4	F104 D105 Y106 E145 L148	E102-F104 HydrophobicContact CB-CB 4.42Å; E102-F104 PolarHBondContact O-N 2.87Å; E102-D105 HydrophobicContact CB-CB 4.22Å; E102-D105 WeakPolarHBondContact O-CB 3.36Å; E102-D105 PolarHBondContact O-N 2.93Å; E102-D105 VanDerWaalsContact O-N 3.13Å; E102-Y106 PolarHBondContact O-N 2.79Å; E102-Y106 VanDerWaalsContact O-N 3.13Å; E102-E145 WeakPolarHBondContact OE2-CA 3.45Å; E102-E145 WeakPolarHBondContact OE2-CB 3.3Å; E102-L148 HydrophobicContact CB-CD2 4.42Å; E102-L148 HydrophobicContact CG-CD2 3.78Å
103	L	97.3	Very high	92.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.3	-30.7	174.4	179.8	63.1	0	0	0	111.4	D105 Y106 I107 L121 I125 P144 V147 L149 I205 L209	L103-D105 VanDerWaalsContact C-N 3.28Å; L103-D105 PolarHBondContact O-N 2.87Å; L103-Y106 HydrophobicContact CD1-CD1 3.98Å; L103-Y106 WeakPolarHBondContact O-CB 3.28Å; L103-Y106 PolarHBondContact O-N 2.87Å; L103-I107 HydrophobicContact CG-CD1 4.18Å; L103-I107 WeakPolarHBondContact O-CG1 3.46Å; L103-I107 PolarHBondContact O-N 2.88Å; L103-L121 HydrophobicContact CD1-CD1 4.13Å; L103-I125 HydrophobicContact CD2-CD1 4.06Å; L103-P144 HydrophobicContact CB-CB 4.25Å; L103-P144 WeakPolarHBondContact CB-O 3.49Å; L103-P144 HydrophobicContact CG-CB 4.33Å; L103-P144 PolarHBondContact N-O 3.33Å; L103-P144 VanDerWaalsContact N-O 3.11Å; L103-V147 HydrophobicContact CB-CB 4.08Å; L103-V147 HydrophobicContact CB-CG1 4.16Å; L103-V147 VanDerWaalsContact CB-O 3.27Å; L103-V147 WeakPolarHBondContact CB-O 3.15Å; L103-V147 HydrophobicContact CD2-CB 4.13Å; L103-V147 HydrophobicContact CD2-CG1 3.9Å; L103-V147 PolarHBondContact N-O 2.98Å; L103-L149 HydrophobicContact CD1-CD1 4.22Å; L103-L149 HydrophobicContact CD1-CD2 4.35Å; L103-I205 HydrophobicContact CD2-CG2 4.38Å; L103-L209 HydrophobicContact CD1-CD2 3.98Å; L103-L209 HydrophobicContact CD2-CD2 4.21Å; L103-L209 HydrophobicContact CG-CD2 4.4Å
104	F	95.6	Very high	92.7	Very high	93 Å²	93	58.2 Å²	58.2	41%	0.408	31%	0.31	S	S	.	.	H	α-helix	trans	-53.4	-48.8	169.6	-178.1	-96.6	0	0	0	111.5	E102 Y106 I107 C108 P144 E145	E102-F104 HydrophobicContact CB-CB 4.42Å; E102-F104 PolarHBondContact O-N 2.87Å; F104-Y106 VanDerWaalsContact C-N 3.3Å; F104-Y106 PolarHBondContact O-N 3.44Å; F104-I107 PolarHBondContact O-N 2.89Å; F104-C108 VanDerWaalsContact CE1-SG 3.54Å; F104-C108 PolarHBondContact O-N 3.04Å; F104-C108 PolarHBondContact O-SG 3.22Å; F104-P144 HydrophobicContact CB-CB 3.86Å; F104-P144 PolarHBondContact N-O 3.28Å; F104-E145 HydrophobicContact CB-CG 4.05Å; F104-E145 HydrophobicContact CD2-CG 4.4Å; F104-E145 HydrophobicContact CG-CG 4.17Å
105	D	93.8	Very high	93.1	Very high	68 Å²	68	60.5 Å²	60.5	36%	0.364	32%	0.322	S	S	.	.	H	α-helix	trans	-68.5	-31.7	-177.3	-144.2	23	0	0	0	111.2	E102 L103 K109	E102-D105 HydrophobicContact CB-CB 4.22Å; E102-D105 WeakPolarHBondContact O-CB 3.36Å; E102-D105 PolarHBondContact O-N 2.93Å; E102-D105 VanDerWaalsContact O-N 3.13Å; L103-D105 VanDerWaalsContact C-N 3.28Å; L103-D105 PolarHBondContact O-N 2.87Å; D105-K109 WeakPolarHBondContact O-CB 3.29Å; D105-K109 WeakPolarHBondContact O-CD 3.31Å; D105-K109 WeakPolarHBondContact O-CE 3.47Å; D105-K109 WeakPolarHBondContact O-CG 3.27Å; D105-K109 PolarHBondContact O-N 3.42Å; D105-K109 WeakPolarHBondContact OD1-CE 3.43Å; D105-K109 IonicContact OD1-NZ 2.73Å; D105-K109 PolarHBondContact OD1-NZ 2.9Å; D105-K109 WeakPolarHBondContact OD2-CE 3.31Å; D105-K109 IonicContact OD2-NZ 2.61Å; D105-K109 PolarHBondContact OD2-NZ 3.34Å
106	Y	96.1	Very high	93.4	Very high	36 Å²	36	61.9 Å²	61.9	14%	0.141	33%	0.334	C	S	.	.	H	α-helix	trans	-69.1	-44.5	171.4	-178.5	-103.3	0	0	0	112.6	E102 L103 F104 K109 N110 V113 E117 L121 L149 K153	E102-Y106 PolarHBondContact O-N 2.79Å; E102-Y106 VanDerWaalsContact O-N 3.13Å; L103-Y106 HydrophobicContact CD1-CD1 3.98Å; L103-Y106 WeakPolarHBondContact O-CB 3.28Å; L103-Y106 PolarHBondContact O-N 2.87Å; F104-Y106 VanDerWaalsContact C-N 3.3Å; F104-Y106 PolarHBondContact O-N 3.44Å; Y106-K109 PolarHBondContact O-N 2.93Å; Y106-N110 WeakPolarHBondContact CD2-ND2 3.35Å; Y106-N110 WeakPolarHBondContact CE2-ND2 3.39Å; Y106-N110 PolarHBondContact O-N 3.24Å; Y106-N110 VanDerWaalsContact O-N 3.12Å; Y106-N110 PolarHBondContact O-ND2 3.12Å; Y106-V113 HydrophobicContact CD1-CG2 4.22Å; Y106-V113 HydrophobicContact CE1-CG1 4.37Å; Y106-V113 HydrophobicContact CE1-CG2 3.87Å; Y106-E117 PolarHBondContact OH-OE1 3.48Å; Y106-L121 HydrophobicContact CE1-CD1 4.29Å; Y106-L149 HydrophobicContact CD1-CD1 4.23Å; Y106-L149 HydrophobicContact CD2-CD1 3.99Å; Y106-L149 HydrophobicContact CG-CD1 3.72Å; Y106-K153 HydrophobicContact CE2-CD 4.11Å; Y106-K153 PolarHBondContact OH-NZ 3.47Å
107	I	96.3	Very high	93.9	Very high	12 Å²	12	62 Å²	62	6%	0.062	33%	0.334	C	S	.	.	H	α-helix	trans	-62.3	-47.6	175.3	-66.5	165.4	0	0	0	109.7	L103 F104 K109 N110 G111 V113 P144 A208 L209	L103-I107 HydrophobicContact CG-CD1 4.18Å; L103-I107 WeakPolarHBondContact O-CG1 3.46Å; L103-I107 PolarHBondContact O-N 2.88Å; F104-I107 PolarHBondContact O-N 2.89Å; I107-K109 VanDerWaalsContact C-N 3.25Å; I107-K109 PolarHBondContact O-N 3.35Å; I107-N110 PolarHBondContact O-N 3Å; I107-G111 WeakPolarHBondContact O-CA 3.45Å; I107-G111 PolarHBondContact O-N 2.9Å; I107-V113 HydrophobicContact CG1-CG2 4.36Å; I107-P144 HydrophobicContact CD1-CB 4.3Å; I107-P144 HydrophobicContact CD1-CG 4.36Å; I107-A208 HydrophobicContact CD1-CB 4.34Å; I107-L209 HydrophobicContact CD1-CD2 4.15Å; I107-L209 HydrophobicContact CD1-CG 4.41Å; I107-L209 HydrophobicContact CG1-CD2 4.32Å
108	C	94.1	Very high	94.2	Very high	79 Å²	79	58.8 Å²	58.8	53%	0.534	32%	0.322	S	S	.	.	H	α-helix	trans	-61.4	-29.6	179.7	-67.3	0	0	0	0	114	F104	F104-C108 VanDerWaalsContact CE1-SG 3.54Å; F104-C108 PolarHBondContact O-N 3.04Å; F104-C108 PolarHBondContact O-SG 3.22Å
109	K	93.6	Very high	94.6	Very high	139 Å²	139	58.1 Å²	58.1	60%	0.604	32%	0.318	S	S	*	.	H	α-helix	trans	-85.2	-29.9	-179.9	-70.4	164.2	-159.5	167.2	0	114.1	D105 Y106 I107	D105-K109 WeakPolarHBondContact O-CB 3.29Å; D105-K109 WeakPolarHBondContact O-CD 3.31Å; D105-K109 WeakPolarHBondContact O-CE 3.47Å; D105-K109 WeakPolarHBondContact O-CG 3.27Å; D105-K109 PolarHBondContact O-N 3.42Å; D105-K109 WeakPolarHBondContact OD1-CE 3.43Å; D105-K109 IonicContact OD1-NZ 2.73Å; D105-K109 PolarHBondContact OD1-NZ 2.9Å; D105-K109 WeakPolarHBondContact OD2-CE 3.31Å; D105-K109 IonicContact OD2-NZ 2.61Å; D105-K109 PolarHBondContact OD2-NZ 3.34Å; Y106-K109 PolarHBondContact O-N 2.93Å; I107-K109 VanDerWaalsContact C-N 3.25Å; I107-K109 PolarHBondContact O-N 3.35Å
110	N	90.8	Very high	95	Very high	96 Å²	96	57.6 Å²	57.6	51%	0.513	31%	0.305	S	S	.	.	H	α-helix	trans	-105.6	-13.8	-176.8	-61.2	-87.2	0	0	0	113.1	Y106 I107 R112	Y106-N110 WeakPolarHBondContact CD2-ND2 3.35Å; Y106-N110 WeakPolarHBondContact CE2-ND2 3.39Å; Y106-N110 PolarHBondContact O-N 3.24Å; Y106-N110 VanDerWaalsContact O-N 3.12Å; Y106-N110 PolarHBondContact O-ND2 3.12Å; I107-N110 PolarHBondContact O-N 3Å; N110-R112 PolarHBondContact O-N 2.9Å
111	G	92.5	Very high	95.4	Very high	35 Å²	35	55.7 Å²	55.7	36%	0.361	29%	0.286	S	S	.	.	S	Bend	trans	75.9	-116.2	-171.2	0	0	0	0	0	111.1	I107	I107-G111 WeakPolarHBondContact O-CA 3.45Å; I107-G111 PolarHBondContact O-N 2.9Å
112	R	92.3	Very high	95.6	Very high	155 Å²	155	54.2 Å²	54.2	59%	0.585	27%	0.27	S	S	*	.	S	Bend	trans	-81.5	134.6	175.1	-67.8	-175.1	-69.9	-105.4	-0.3	110.3	N110 L210 H238	N110-R112 PolarHBondContact O-N 2.9Å; R112-L210 WeakPolarHBondContact CB-O 3.25Å; R112-L210 WeakPolarHBondContact CD-O 3.37Å; R112-L210 WeakPolarHBondContact CG-O 3.34Å; R112-H238 WeakPolarHBondContact CD-NE2 3.28Å
113	V	95.1	Very high	95.7	Very high	10 Å²	10	50.9 Å²	50.9	6%	0.061	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-81.6	141	170	-173.5	0	0	0	0	108.9	Y106 I107 E117 A118 L121 L209	Y106-V113 HydrophobicContact CD1-CG2 4.22Å; Y106-V113 HydrophobicContact CE1-CG1 4.37Å; Y106-V113 HydrophobicContact CE1-CG2 3.87Å; I107-V113 HydrophobicContact CG1-CG2 4.36Å; V113-E117 HydrophobicContact CG1-CB 3.77Å; V113-E117 HydrophobicContact CG1-CG 3.55Å; V113-A118 HydrophobicContact CB-CB 4.24Å; V113-A118 HydrophobicContact CG1-CB 4.06Å; V113-L121 HydrophobicContact CG1-CD1 4.49Å; V113-L209 HydrophobicContact CB-CD2 4.33Å; V113-L209 WeakPolarHBondContact CB-O 3.49Å; V113-L209 HydrophobicContact CG2-CD2 3.85Å; V113-L209 PolarHBondContact N-O 2.68Å
114	E	95.3	Very high	95.8	Very high	142 Å²	142	51 Å²	51	66%	0.664	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-61.2	144.6	176.8	-165.2	-169.6	125.6	0	0	111.4	S116 E117 A118	E114-S116 PolarHBondContact O-N 2.9Å; E114-S116 VanDerWaalsContact O-N 3.09Å; E114-S116 PolarHBondContact OE1-OG 2.84Å; E114-E117 PolarHBondContact O-N 2.77Å; E114-E117 VanDerWaalsContact O-N 3.16Å; E114-A118 WeakPolarHBondContact O-CB 3.27Å; E114-A118 PolarHBondContact O-N 2.91Å
115	D	94.6	Very high	95.9	Very high	48 Å²	48	46.7 Å²	46.7	26%	0.257	24%	0.236	S	C	.	.	H	α-helix	trans	-47.2	-39.4	179.9	177.3	89.7	0	0	0	113.6	C119 N240 W269 K272	D115-C119 VanDerWaalsContact O-CB 3.27Å; D115-C119 WeakPolarHBondContact O-CB 3.38Å; D115-C119 PolarHBondContact O-N 2.94Å; D115-N240 PolarHBondContact OD1-ND2 2.8Å; D115-W269 PolarHBondContact OD1-NE1 2.8Å; D115-K272 IonicContact OD2-NZ 2.7Å; D115-K272 PolarHBondContact OD2-NZ 3.2Å
116	S	95.9	Very high	96.2	Very high	50 Å²	50	43.4 Å²	43.4	35%	0.35	22%	0.219	S	C	.	.	H	α-helix	trans	-64.4	-57.2	177.7	58.4	0	0	0	0	112.8	E114 C119 R120	E114-S116 PolarHBondContact O-N 2.9Å; E114-S116 VanDerWaalsContact O-N 3.09Å; E114-S116 PolarHBondContact OE1-OG 2.84Å; S116-C119 PolarHBondContact O-N 3.17Å; S116-R120 PolarHBondContact O-N 3.17Å
117	E	97	Very high	96.2	Very high	34 Å²	34	41.8 Å²	41.8	16%	0.159	21%	0.213	C	C	.	.	H	α-helix	trans	-67.7	-35.9	179.5	176.9	75.2	150.9	0	0	111.6	Y106 V113 E114 R120 L121 K153	Y106-E117 PolarHBondContact OH-OE1 3.48Å; V113-E117 HydrophobicContact CG1-CB 3.77Å; V113-E117 HydrophobicContact CG1-CG 3.55Å; E114-E117 PolarHBondContact O-N 2.77Å; E114-E117 VanDerWaalsContact O-N 3.16Å; E117-R120 PolarHBondContact O-N 3.07Å; E117-R120 IonicContact OE1-NH2 2.89Å; E117-R120 PolarHBondContact OE1-NH2 2.84Å; E117-R120 VanDerWaalsContact OE1-NH2 3.14Å; E117-R120 IonicContact OE2-CZ 3.51Å; E117-R120 IonicContact OE2-NE 3.14Å; E117-R120 PolarHBondContact OE2-NE 2.99Å; E117-R120 IonicContact OE2-NH2 3.48Å; E117-R120 PolarHBondContact OE2-NH2 3.23Å; E117-L121 HydrophobicContact CG-CD1 4.09Å; E117-L121 WeakPolarHBondContact O-CB 3.41Å; E117-L121 VanDerWaalsContact O-CG 3.28Å; E117-L121 WeakPolarHBondContact O-CG 3.3Å; E117-L121 PolarHBondContact O-N 3.45Å; E117-K153 WeakPolarHBondContact OE1-CD 3.35Å; E117-K153 IonicContact OE1-NZ 2.68Å
118	A	97.8	Very high	96.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.5	-43.3	174	0	0	0	0	0	111.1	V113 E114 F122 L209 L210	V113-A118 HydrophobicContact CB-CB 4.24Å; V113-A118 HydrophobicContact CG1-CB 4.06Å; E114-A118 WeakPolarHBondContact O-CB 3.27Å; E114-A118 PolarHBondContact O-N 2.91Å; A118-F122 WeakPolarHBondContact O-CB 3.37Å; A118-F122 PolarHBondContact O-N 3.3Å; A118-L209 HydrophobicContact CB-CB 4.17Å; A118-L210 HydrophobicContact CB-CD2 3.68Å; A118-L210 HydrophobicContact CB-CG 4.36Å
119	C	98.1	Very high	96.4	Very high	4 Å²	4	37.6 Å²	37.6	3%	0.027	19%	0.185	C	C	.	.	H	α-helix	trans	-62.6	-49.9	173.3	-167.6	0	0	0	0	111.1	D115 S116 L121 F122 Q123 W269	D115-C119 VanDerWaalsContact O-CB 3.27Å; D115-C119 WeakPolarHBondContact O-CB 3.38Å; D115-C119 PolarHBondContact O-N 2.94Å; S116-C119 PolarHBondContact O-N 3.17Å; C119-L121 PolarHBondContact O-N 3.21Å; C119-F122 PolarHBondContact O-N 2.86Å; C119-F122 VanDerWaalsContact O-N 3.11Å; C119-Q123 WeakPolarHBondContact O-CB 3.4Å; C119-Q123 VanDerWaalsContact O-CG 3.25Å; C119-Q123 WeakPolarHBondContact O-CG 3.42Å; C119-Q123 PolarHBondContact O-N 3.49Å; C119-Q123 PolarHBondContact SG-NE2 3.27Å; C119-W269 VanDerWaalsContact CA-CH2 3.43Å; C119-W269 HydrophobicContact CB-CH2 3.58Å; C119-W269 HydrophobicContact CB-CZ2 3.6Å; C119-W269 HydrophobicContact CB-CZ3 4.13Å; C119-W269 PolarHBondContact SG-O 3Å; C119-W269 VanDerWaalsContact SG-O 3.38Å
120	R	98.4	Very high	96.5	Very high	62 Å²	62	31.7 Å²	31.7	23%	0.234	16%	0.16	C	C	.	.	H	α-helix	trans	-55.4	-47.9	178.1	-171.2	-168.3	64.8	75.4	-2.4	112.7	S116 E117 Q124 K153	S116-R120 PolarHBondContact O-N 3.17Å; E117-R120 PolarHBondContact O-N 3.07Å; E117-R120 IonicContact OE1-NH2 2.89Å; E117-R120 PolarHBondContact OE1-NH2 2.84Å; E117-R120 VanDerWaalsContact OE1-NH2 3.14Å; E117-R120 IonicContact OE2-CZ 3.51Å; E117-R120 IonicContact OE2-NE 3.14Å; E117-R120 PolarHBondContact OE2-NE 2.99Å; E117-R120 IonicContact OE2-NH2 3.48Å; E117-R120 PolarHBondContact OE2-NH2 3.23Å; R120-Q124 WeakPolarHBondContact O-CG 3.39Å; R120-Q124 PolarHBondContact O-N 3.28Å; R120-K153 PolarHBondContact NH1-O 3.4Å; R120-K153 VanDerWaalsContact NH1-O 3.13Å; R120-K153 PolarHBondContact NH2-O 3.4Å
121	L	98.6	Very high	96.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64.1	-41.5	177	-73.6	170.5	0	0	0	111.6	L103 Y106 V113 E117 C119 Q124 I125 L149 K153 A155 L209	L103-L121 HydrophobicContact CD1-CD1 4.13Å; Y106-L121 HydrophobicContact CE1-CD1 4.29Å; V113-L121 HydrophobicContact CG1-CD1 4.49Å; E117-L121 HydrophobicContact CG-CD1 4.09Å; E117-L121 WeakPolarHBondContact O-CB 3.41Å; E117-L121 VanDerWaalsContact O-CG 3.28Å; E117-L121 WeakPolarHBondContact O-CG 3.3Å; E117-L121 PolarHBondContact O-N 3.45Å; C119-L121 PolarHBondContact O-N 3.21Å; L121-Q124 PolarHBondContact O-N 2.93Å; L121-I125 VanDerWaalsContact O-CG1 3.31Å; L121-I125 WeakPolarHBondContact O-CG1 3.27Å; L121-I125 PolarHBondContact O-N 2.83Å; L121-L149 HydrophobicContact CD2-CD2 3.77Å; L121-K153 VanDerWaalsContact CD2-O 3.29Å; L121-K153 WeakPolarHBondContact CD2-O 2.83Å; L121-A155 HydrophobicContact CD2-CB 4.26Å; L121-L209 HydrophobicContact CD1-CD2 4.09Å
122	F	98.8	Very high	96.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-69.1	-38.5	-179.9	-178.4	-105.3	0	0	0	113	A118 C119 Q124 I125 I126 C202 L206 L209 L246 M250 I264 W269 F270	A118-F122 WeakPolarHBondContact O-CB 3.37Å; A118-F122 PolarHBondContact O-N 3.3Å; C119-F122 PolarHBondContact O-N 2.86Å; C119-F122 VanDerWaalsContact O-N 3.11Å; F122-Q124 VanDerWaalsContact C-N 3.32Å; F122-Q124 PolarHBondContact O-N 3.06Å; F122-I125 PolarHBondContact O-N 3.05Å; F122-I126 HydrophobicContact CD1-CG1 4.14Å; F122-I126 HydrophobicContact CD2-CG1 4.27Å; F122-I126 HydrophobicContact CE1-CD1 4.28Å; F122-I126 HydrophobicContact CE1-CG1 3.62Å; F122-I126 HydrophobicContact CE2-CD1 3.83Å; F122-I126 HydrophobicContact CE2-CG1 3.77Å; F122-I126 HydrophobicContact CG-CG1 4.43Å; F122-I126 HydrophobicContact CZ-CD1 3.58Å; F122-I126 HydrophobicContact CZ-CG1 3.41Å; F122-I126 VanDerWaalsContact CZ-CG1 3.41Å; F122-I126 WeakPolarHBondContact O-CG1 3.42Å; F122-I126 PolarHBondContact O-N 2.81Å; F122-C202 HydrophobicContact CE2-CB 4.18Å; F122-L206 HydrophobicContact CB-CD1 4.16Å; F122-L206 HydrophobicContact CD1-CD1 4.25Å; F122-L206 HydrophobicContact CD1-CD2 4.36Å; F122-L206 HydrophobicContact CD2-CB 3.84Å; F122-L206 HydrophobicContact CD2-CD1 4.04Å; F122-L206 HydrophobicContact CD2-CD2 4.47Å; F122-L206 HydrophobicContact CD2-CG 4.32Å; F122-L206 HydrophobicContact CE1-CD2 4.05Å; F122-L206 HydrophobicContact CE2-CB 3.75Å; F122-L206 HydrophobicContact CE2-CD2 4.18Å; F122-L206 HydrophobicContact CE2-CG 4.37Å; F122-L206 HydrophobicContact CG-CD1 3.88Å; F122-L206 HydrophobicContact CZ-CB 4.37Å; F122-L206 HydrophobicContact CZ-CD2 3.96Å; F122-L209 HydrophobicContact CB-CD1 4.43Å; F122-L246 HydrophobicContact CE1-CD2 4.23Å; F122-M250 HydrophobicContact CE1-SD 4.47Å; F122-M250 HydrophobicContact CE2-CE 3.99Å; F122-M250 HydrophobicContact CE2-SD 4.45Å; F122-M250 HydrophobicContact CZ-CE 3.57Å; F122-M250 HydrophobicContact CZ-SD 3.67Å; F122-I264 HydrophobicContact CE1-CG2 4.1Å; F122-W269 AromaticContact CD1-CZ3 3.9Å; F122-W269 HydrophobicContact CD1-CZ3 3.9Å; F122-F270 AromaticContact CD1-CD2 3.67Å; F122-F270 HydrophobicContact CD1-CD2 3.67Å; F122-F270 AromaticContact CD1-CE2 3.66Å; F122-F270 HydrophobicContact CD1-CE2 3.66Å; F122-F270 AromaticContact CE1-CD2 3.62Å; F122-F270 HydrophobicContact CE1-CD2 3.62Å; F122-F270 AromaticContact CE1-CE2 3.69Å; F122-F270 HydrophobicContact CE1-CE2 3.69Å
123	Q	98.7	Very high	96.6	Very high	5 Å²	5	19.4 Å²	19.4	2%	0.023	10%	0.097	C	C	.	.	H	α-helix	trans	-57.2	-45.5	171.5	-70.3	168.4	-15.6	0	0	111.2	C119 I125 I126 S127 F270 K272 L274 L278	C119-Q123 WeakPolarHBondContact O-CB 3.4Å; C119-Q123 VanDerWaalsContact O-CG 3.25Å; C119-Q123 WeakPolarHBondContact O-CG 3.42Å; C119-Q123 PolarHBondContact O-N 3.49Å; C119-Q123 PolarHBondContact SG-NE2 3.27Å; Q123-I125 VanDerWaalsContact C-N 3.34Å; Q123-I125 PolarHBondContact O-N 2.92Å; Q123-I126 PolarHBondContact O-N 2.82Å; Q123-S127 WeakPolarHBondContact O-CB 3.39Å; Q123-S127 PolarHBondContact O-N 3.43Å; Q123-F270 HydrophobicContact CB-CE2 4.29Å; Q123-F270 HydrophobicContact CB-CZ 4.22Å; Q123-F270 HydrophobicContact CG-CD2 4.22Å; Q123-F270 HydrophobicContact CG-CE1 4.42Å; Q123-F270 HydrophobicContact CG-CE2 3.9Å; Q123-F270 HydrophobicContact CG-CZ 4Å; Q123-F270 PolarHBondContact NE2-O 3.04Å; Q123-K272 PolarHBondContact NE2-O 3.1Å; Q123-L274 HydrophobicContact CB-CD1 4Å; Q123-L274 HydrophobicContact CG-CD1 3.66Å; Q123-L278 HydrophobicContact CB-CD1 3.68Å
124	Q	98.4	Very high	96.2	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.019	11%	0.112	C	C	.	.	H	α-helix	trans	-63	-37.1	176.3	-70.3	-177.3	-18.2	0	0	112.8	H77 R120 L121 F122 A128 N154 A155 L278	H77-Q124 HydrophobicContact CB-CB 4.48Å; H77-Q124 WeakPolarHBondContact CB-O 3.49Å; H77-Q124 PolarHBondContact CE1-NE2 3.32Å; R120-Q124 WeakPolarHBondContact O-CG 3.39Å; R120-Q124 PolarHBondContact O-N 3.28Å; L121-Q124 PolarHBondContact O-N 2.93Å; F122-Q124 VanDerWaalsContact C-N 3.32Å; F122-Q124 PolarHBondContact O-N 3.06Å; Q124-A128 PolarHBondContact O-N 3.46Å; Q124-N154 PolarHBondContact NE2-OD1 3.42Å; Q124-N154 VanDerWaalsContact OE1-CA 3.31Å; Q124-A155 HydrophobicContact CB-CB 4.1Å; Q124-L278 HydrophobicContact CG-CD1 4.29Å; Q124-L278 HydrophobicContact CG-CD2 4.1Å
125	I	98.8	Very high	95.6	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-68.7	-51.7	175.9	-67.3	163.3	0	0	0	110.8	L103 L121 F122 Q123 S127 A128 V129 V147 A155 I205	L103-I125 HydrophobicContact CD2-CD1 4.06Å; L121-I125 VanDerWaalsContact O-CG1 3.31Å; L121-I125 WeakPolarHBondContact O-CG1 3.27Å; L121-I125 PolarHBondContact O-N 2.83Å; F122-I125 PolarHBondContact O-N 3.05Å; Q123-I125 VanDerWaalsContact C-N 3.34Å; Q123-I125 PolarHBondContact O-N 2.92Å; I125-S127 PolarHBondContact O-N 3.27Å; I125-A128 PolarHBondContact O-N 2.87Å; I125-A128 VanDerWaalsContact O-N 3.14Å; I125-V129 HydrophobicContact CG2-CG2 4.45Å; I125-V129 WeakPolarHBondContact O-CG2 3.27Å; I125-V129 PolarHBondContact O-N 3.16Å; I125-V147 HydrophobicContact CD1-CG1 4.11Å; I125-V147 HydrophobicContact CD1-CG2 4.4Å; I125-V147 HydrophobicContact CG1-CG1 4.14Å; I125-V147 HydrophobicContact CG1-CG2 4.48Å; I125-A155 HydrophobicContact CG1-CB 3.96Å; I125-I205 HydrophobicContact CD1-CG2 4.06Å
126	I	98.7	Very high	95.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.7	-34	179.8	-63.8	-63.8	0	0	0	111.4	F122 Q123 V129 D130 C202 M250 I261 I264 F270 F279	F122-I126 HydrophobicContact CD1-CG1 4.14Å; F122-I126 HydrophobicContact CD2-CG1 4.27Å; F122-I126 HydrophobicContact CE1-CD1 4.28Å; F122-I126 HydrophobicContact CE1-CG1 3.62Å; F122-I126 HydrophobicContact CE2-CD1 3.83Å; F122-I126 HydrophobicContact CE2-CG1 3.77Å; F122-I126 HydrophobicContact CG-CG1 4.43Å; F122-I126 HydrophobicContact CZ-CD1 3.58Å; F122-I126 HydrophobicContact CZ-CG1 3.41Å; F122-I126 VanDerWaalsContact CZ-CG1 3.41Å; F122-I126 WeakPolarHBondContact O-CG1 3.42Å; F122-I126 PolarHBondContact O-N 2.81Å; Q123-I126 PolarHBondContact O-N 2.82Å; I126-V129 PolarHBondContact O-N 3.11Å; I126-D130 WeakPolarHBondContact O-CB 3.46Å; I126-D130 PolarHBondContact O-N 2.87Å; I126-C202 HydrophobicContact CD1-CB 3.77Å; I126-M250 HydrophobicContact CD1-CE 4.37Å; I126-I261 HydrophobicContact CG2-CG2 4.21Å; I126-I264 HydrophobicContact CD1-CD1 4.16Å; I126-I264 HydrophobicContact CG1-CG2 4.36Å; I126-I264 HydrophobicContact CG2-CG2 4.24Å; I126-F270 HydrophobicContact CB-CE2 3.92Å; I126-F270 HydrophobicContact CB-CZ 3.89Å; I126-F270 HydrophobicContact CG1-CE2 3.93Å; I126-F270 HydrophobicContact CG1-CZ 4.41Å; I126-F270 HydrophobicContact CG2-CE2 4.24Å; I126-F270 HydrophobicContact CG2-CZ 3.93Å; I126-F279 HydrophobicContact CB-CZ 4.18Å; I126-F279 HydrophobicContact CG2-CE1 4.17Å; I126-F279 HydrophobicContact CG2-CZ 3.83Å
127	S	97.5	Very high	94.9	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.014	8%	0.083	C	C	.	.	H	α-helix	trans	-59	-47.7	173	172.3	0	0	0	0	111.9	H75 Q123 I125 V129 D130 Y131 L278 F279	H75-S127 PolarHBondContact CE1-OG 3.4Å; H75-S127 PolarHBondContact NE2-OG 3.39Å; H75-S127 VanDerWaalsContact NE2-OG 3.13Å; Q123-S127 WeakPolarHBondContact O-CB 3.39Å; Q123-S127 PolarHBondContact O-N 3.43Å; I125-S127 PolarHBondContact O-N 3.27Å; S127-V129 PolarHBondContact O-N 3.07Å; S127-D130 PolarHBondContact O-N 3.06Å; S127-Y131 WeakPolarHBondContact O-CB 3.36Å; S127-Y131 PolarHBondContact O-N 3.02Å; S127-L278 WeakPolarHBondContact CB-O 3.49Å; S127-L278 WeakPolarHBondContact OG-CA 3.45Å; S127-L278 PolarHBondContact OG-O 3.48Å; S127-F279 VanDerWaalsContact CA-CZ 3.45Å; S127-F279 VanDerWaalsContact N-CZ 3.33Å
128	A	96.3	Very high	94.7	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-66.7	-32.3	175	0	0	0	0	0	113.9	H75 H77 I78 Q124 I125 C132 I157	H75-A128 VanDerWaalsContact CE1-CA 3.48Å; H75-A128 WeakPolarHBondContact CE1-CA 3.41Å; H75-A128 PolarHBondContact CE1-N 2.98Å; H77-A128 HydrophobicContact CB-CB 3.95Å; H77-A128 VanDerWaalsContact O-CB 3.32Å; H77-A128 WeakPolarHBondContact O-CB 3.49Å; I78-A128 HydrophobicContact CD1-CB 4.34Å; I78-A128 HydrophobicContact CG1-CB 3.78Å; Q124-A128 PolarHBondContact O-N 3.46Å; I125-A128 PolarHBondContact O-N 2.87Å; I125-A128 VanDerWaalsContact O-N 3.14Å; A128-C132 PolarHBondContact O-N 2.94Å; A128-C132 VanDerWaalsContact O-N 3.09Å; A128-C132 PolarHBondContact O-SG 3.47Å; A128-I157 HydrophobicContact CB-CD1 3.48Å; A128-I157 VanDerWaalsContact CB-CD1 3.48Å; A128-I157 HydrophobicContact CB-CG1 3.92Å
129	V	97.6	Very high	94.6	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.012	8%	0.076	C	C	.	.	H	α-helix	trans	-74.2	-41.6	176.6	178.3	0	0	0	0	111.6	I125 I126 S127 Y131 C132 H133 L142 I157 D198 I261	I125-V129 HydrophobicContact CG2-CG2 4.45Å; I125-V129 WeakPolarHBondContact O-CG2 3.27Å; I125-V129 PolarHBondContact O-N 3.16Å; I126-V129 PolarHBondContact O-N 3.11Å; S127-V129 PolarHBondContact O-N 3.07Å; V129-Y131 VanDerWaalsContact C-N 3.34Å; V129-Y131 PolarHBondContact O-N 3.36Å; V129-C132 PolarHBondContact O-N 3.35Å; V129-C132 VanDerWaalsContact O-N 3.16Å; V129-H133 WeakPolarHBondContact CG1-CE1 3.42Å; V129-H133 WeakPolarHBondContact CG1-NE2 3.48Å; V129-H133 PolarHBondContact O-CD2 2.88Å; V129-H133 VanDerWaalsContact O-CG 3.3Å; V129-H133 PolarHBondContact O-N 2.92Å; V129-L142 HydrophobicContact CG1-CD1 4.41Å; V129-L142 HydrophobicContact CG2-CD1 3.67Å; V129-L142 HydrophobicContact CG2-CD2 4.36Å; V129-I157 HydrophobicContact CG2-CD1 3.67Å; V129-D198 HydrophobicContact CG1-CB 4.15Å; V129-I261 HydrophobicContact CG1-CD1 4.16Å
130	D	96.1	Very high	94.4	Very high	16 Å²	16	17.9 Å²	17.9	9%	0.086	8%	0.078	C	C	.	.	H	α-helix	trans	-54.6	-51.7	171.3	-171.1	-1.4	0	0	0	109.8	I126 S127 C132 H133 R134 I261 R265 F279	I126-D130 WeakPolarHBondContact O-CB 3.46Å; I126-D130 PolarHBondContact O-N 2.87Å; S127-D130 PolarHBondContact O-N 3.06Å; D130-C132 VanDerWaalsContact C-N 3.33Å; D130-C132 PolarHBondContact O-N 3.21Å; D130-H133 PolarHBondContact O-N 2.8Å; D130-H133 VanDerWaalsContact O-N 3.12Å; D130-R134 VanDerWaalsContact O-CG 3.31Å; D130-R134 WeakPolarHBondContact O-CG 3.31Å; D130-R134 PolarHBondContact O-N 2.93Å; D130-R134 IonicContact OD1-CZ 2.72Å; D130-R134 IonicContact OD1-NE 3.85Å; D130-R134 PolarHBondContact OD1-NE 3.3Å; D130-R134 IonicContact OD1-NH2 3.56Å; D130-R134 IonicContact OD2-CZ 3.22Å; D130-R134 IonicContact OD2-NE 3.4Å; D130-R134 IonicContact OD2-NH2 3.84Å; D130-R134 PolarHBondContact OD2-NH2 3.28Å; D130-I261 VanDerWaalsContact CA-CD1 3.47Å; D130-I261 HydrophobicContact CB-CD1 3.95Å; D130-I261 HydrophobicContact CB-CG2 3.81Å; D130-R265 IonicContact OD2-NH1 2.92Å; D130-R265 PolarHBondContact OD2-NH1 3.3Å; D130-F279 HydrophobicContact CB-CD1 4.5Å; D130-F279 HydrophobicContact CB-CE1 4Å; D130-F279 WeakPolarHBondContact OD2-CD1 3.27Å
131	Y	91.8	Very high	94.1	Very high	5 Å²	5	15.9 Å²	15.9	2%	0.02	7%	0.072	C	C	.	.	H	α-helix	trans	-54.9	-44.2	175.5	-179.3	-87.1	0	0	0	113.1	F73 R74 H75 I78 S127 V129 H135 D286 V289	F73-Y131 HydrophobicContact CB-CE1 4.1Å; F73-Y131 AromaticContact CD1-CE1 3.82Å; F73-Y131 HydrophobicContact CD1-CE1 3.82Å; F73-Y131 HydrophobicContact CE1-CE1 4.34Å; F73-Y131 AromaticContact CG-CE1 3.93Å; F73-Y131 HydrophobicContact CG-CE1 3.93Å; R74-Y131 PolarHBondContact N-OH 2.84Å; H75-Y131 HydrophobicContact CB-CD1 3.81Å; H75-Y131 HydrophobicContact CB-CD2 4.17Å; H75-Y131 HydrophobicContact CB-CE1 3.9Å; H75-Y131 HydrophobicContact CB-CE2 4.26Å; H75-Y131 HydrophobicContact CB-CG 3.93Å; H75-Y131 AromaticContact CD2-CD2 3.63Å; H75-Y131 AromaticContact CD2-CG 3.68Å; H75-Y131 AromaticContact CG-CG 3.89Å; I78-Y131 HydrophobicContact CD1-CD1 3.55Å; I78-Y131 HydrophobicContact CD1-CE1 4.01Å; I78-Y131 HydrophobicContact CD1-CG 4.49Å; S127-Y131 WeakPolarHBondContact O-CB 3.36Å; S127-Y131 PolarHBondContact O-N 3.02Å; V129-Y131 VanDerWaalsContact C-N 3.34Å; V129-Y131 PolarHBondContact O-N 3.36Å; Y131-H135 AromaticContact CD2-CE1 3.84Å; Y131-H135 AromaticContact CE1-CE1 3.94Å; Y131-H135 AromaticContact CE1-ND1 3.93Å; Y131-H135 AromaticContact CE2-CE1 3.38Å; Y131-H135 WeakPolarHBondContact CE2-CE1 3.34Å; Y131-H135 AromaticContact CZ-CE1 3.43Å; Y131-H135 VanDerWaalsContact CZ-CE1 3.43Å; Y131-H135 AromaticContact CZ-ND1 3.91Å; Y131-H135 AromaticContact CZ-NE2 3.98Å; Y131-H135 PolarHBondContact O-N 3.4Å; Y131-H135 PolarHBondContact O-ND1 3.09Å; Y131-D286 WeakPolarHBondContact CD2-OD1 3.33Å; Y131-D286 VanDerWaalsContact CE2-OD1 3.24Å; Y131-D286 WeakPolarHBondContact CE2-OD1 3.49Å; Y131-V289 WeakPolarHBondContact OH-CG2 3.5Å
132	C	91.8	Very high	94.1	Very high	3 Å²	3	15.9 Å²	15.9	2%	0.02	7%	0.072	C	C	.	.	H	α-helix	trans	-63.9	-44.6	176.2	-68.2	0	0	0	0	112.1	F73 I78 A128 V129 D130 H135 M136 V137	F73-C132 HydrophobicContact CZ-CB 4.47Å; I78-C132 VanDerWaalsContact CD1-SG 3.59Å; A128-C132 PolarHBondContact O-N 2.94Å; A128-C132 VanDerWaalsContact O-N 3.09Å; A128-C132 PolarHBondContact O-SG 3.47Å; V129-C132 PolarHBondContact O-N 3.35Å; V129-C132 VanDerWaalsContact O-N 3.16Å; D130-C132 VanDerWaalsContact C-N 3.33Å; D130-C132 PolarHBondContact O-N 3.21Å; C132-H135 CarbonylContact O-C 3.57Å; C132-H135 PolarHBondContact O-N 3.04Å; C132-M136 PolarHBondContact O-N 3.38Å; C132-V137 CarbonylContact C-O 3.49Å; C132-V137 WeakPolarHBondContact CB-O 3.41Å; C132-V137 PolarHBondContact O-N 3.44Å
133	H	92.8	Very high	94	Very high	20 Å²	20	17.2 Å²	17.2	9%	0.093	8%	0.078	C	C	.	.	H	α-helix	trans	-67.5	-37.7	-177.2	-67.8	-178.2	0	0	0	112.1	V129 D130 H135 M136 V137 P195 D198 I261	V129-H133 WeakPolarHBondContact CG1-CE1 3.42Å; V129-H133 WeakPolarHBondContact CG1-NE2 3.48Å; V129-H133 PolarHBondContact O-CD2 2.88Å; V129-H133 VanDerWaalsContact O-CG 3.3Å; V129-H133 PolarHBondContact O-N 2.92Å; D130-H133 PolarHBondContact O-N 2.8Å; D130-H133 VanDerWaalsContact O-N 3.12Å; H133-H135 VanDerWaalsContact C-N 3.32Å; H133-H135 PolarHBondContact O-N 3.43Å; H133-M136 WeakPolarHBondContact O-CA 3.37Å; H133-M136 PolarHBondContact O-N 3.3Å; H133-V137 PolarHBondContact CD2-O 2.91Å; H133-P195 VanDerWaalsContact CE1-CA 3.43Å; H133-P195 WeakPolarHBondContact CE1-CA 3.5Å; H133-D198 IonicContact CD2-OD2 2.68Å; H133-D198 IonicContact CE1-OD2 3.63Å; H133-D198 WeakPolarHBondContact NE2-CB 3.35Å; H133-D198 IonicContact NE2-OD2 2.82Å; H133-D198 PolarHBondContact NE2-OD2 3.29Å; H133-I261 WeakPolarHBondContact ND1-CD1 3.35Å
134	R	86.9	Confident	93.9	Very high	97 Å²	97	17 Å²	17	37%	0.366	8%	0.077	S	C	.	.	H	α-helix	trans	-58.7	-40.9	171.1	-69.2	174.3	-165.1	-164.8	5.2	112.5	D130 M136 D286	D130-R134 VanDerWaalsContact O-CG 3.31Å; D130-R134 WeakPolarHBondContact O-CG 3.31Å; D130-R134 PolarHBondContact O-N 2.93Å; D130-R134 IonicContact OD1-CZ 2.72Å; D130-R134 IonicContact OD1-NE 3.85Å; D130-R134 PolarHBondContact OD1-NE 3.3Å; D130-R134 IonicContact OD1-NH2 3.56Å; D130-R134 IonicContact OD2-CZ 3.22Å; D130-R134 IonicContact OD2-NE 3.4Å; D130-R134 IonicContact OD2-NH2 3.84Å; D130-R134 PolarHBondContact OD2-NH2 3.28Å; R134-M136 PolarHBondContact O-N 3.47Å; R134-D286 IonicContact NH1-OD2 3.74Å
135	H	83.3	Confident	93.8	Very high	59 Å²	59	19 Å²	19	27%	0.273	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	19.1	175.3	-66.4	80.2	0	0	0	112.8	F73 Y131 C132 H133 V137	F73-H135 HydrophobicContact CE1-CB 3.67Å; F73-H135 HydrophobicContact CZ-CB 4.31Å; Y131-H135 AromaticContact CD2-CE1 3.84Å; Y131-H135 AromaticContact CE1-CE1 3.94Å; Y131-H135 AromaticContact CE1-ND1 3.93Å; Y131-H135 AromaticContact CE2-CE1 3.38Å; Y131-H135 WeakPolarHBondContact CE2-CE1 3.34Å; Y131-H135 AromaticContact CZ-CE1 3.43Å; Y131-H135 VanDerWaalsContact CZ-CE1 3.43Å; Y131-H135 AromaticContact CZ-ND1 3.91Å; Y131-H135 AromaticContact CZ-NE2 3.98Å; Y131-H135 PolarHBondContact O-N 3.4Å; Y131-H135 PolarHBondContact O-ND1 3.09Å; C132-H135 CarbonylContact O-C 3.57Å; C132-H135 PolarHBondContact O-N 3.04Å; H133-H135 VanDerWaalsContact C-N 3.32Å; H133-H135 PolarHBondContact O-N 3.43Å; H135-V137 PolarHBondContact O-N 3.04Å
136	M	86.1	Confident	93.6	Very high	73 Å²	73	20 Å²	20	36%	0.36	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	29.3	179.9	-61	-65.4	-88.9	0	0	114.6	C132 H133 R134 M165 M166 D168	C132-M136 PolarHBondContact O-N 3.38Å; H133-M136 WeakPolarHBondContact O-CA 3.37Å; H133-M136 PolarHBondContact O-N 3.3Å; R134-M136 PolarHBondContact O-N 3.47Å; M136-M165 CarbonylContact O-C 3.37Å; M136-M165 VanDerWaalsContact O-CA 3.28Å; M136-M165 WeakPolarHBondContact O-CA 3.33Å; M136-M166 HydrophobicContact CB-CB 4.42Å; M136-M166 HydrophobicContact CB-CE 4.49Å; M136-M166 HydrophobicContact CE-CB 4.13Å; M136-M166 PolarHBondContact O-N 2.92Å; M136-M166 HydrophobicContact SD-CE 3.88Å; M136-D168 WeakPolarHBondContact CE-OD1 3.43Å
137	V	89.1	Confident	93.6	Very high	4 Å²	4	20 Å²	20	2%	0.024	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.9	177.6	178.3	0	0	0	0	111.1	N69 F73 C132 H133 H135 F160 N164 M165	N69-V137 HydrophobicContact CB-CG2 4.25Å; N69-V137 VanDerWaalsContact ND2-CG2 3.3Å; N69-V137 WeakPolarHBondContact ND2-CG2 3.23Å; F73-V137 HydrophobicContact CE1-CG2 4.26Å; F73-V137 HydrophobicContact CE2-CG1 4.42Å; F73-V137 HydrophobicContact CZ-CB 3.79Å; F73-V137 HydrophobicContact CZ-CG1 4.12Å; F73-V137 HydrophobicContact CZ-CG2 3.7Å; C132-V137 CarbonylContact C-O 3.49Å; C132-V137 WeakPolarHBondContact CB-O 3.41Å; C132-V137 PolarHBondContact O-N 3.44Å; H133-V137 PolarHBondContact CD2-O 2.91Å; H135-V137 PolarHBondContact O-N 3.04Å; V137-F160 HydrophobicContact CG1-CD1 4.45Å; V137-N164 WeakPolarHBondContact CA-O 3.3Å; V137-M165 HydrophobicContact CG2-CG 4.4Å
138	V	93.6	Very high	93.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	138.4	172.5	-68.1	0	0	0	0	110.7	R140 S163 N164 M166 L172 P195 D198	V138-R140 HydrophobicContact CB-CG 4.27Å; V138-R140 HydrophobicContact CG2-CG 4.01Å; V138-S163 CarbonylContact O-C 3.52Å; V138-S163 WeakPolarHBondContact O-CA 3.34Å; V138-S163 VanDerWaalsContact O-CB 3.27Å; V138-S163 WeakPolarHBondContact O-CB 3.36Å; V138-N164 PolarHBondContact N-O 2.88Å; V138-N164 PolarHBondContact O-N 3.38Å; V138-M166 HydrophobicContact CG1-CE 4.11Å; V138-M166 HydrophobicContact CG1-CG 3.92Å; V138-M166 HydrophobicContact CG1-SD 3.56Å; V138-M166 VanDerWaalsContact CG1-SD 3.56Å; V138-M166 HydrophobicContact CG2-CG 4.19Å; V138-L172 HydrophobicContact CG2-CD1 3.66Å; V138-P195 HydrophobicContact CG1-CG 4.19Å; V138-D198 WeakPolarHBondContact CA-OD2 3.47Å
139	H	94.4	Very high	93.6	Very high	3 Å²	3	22 Å²	22	1%	0.014	10%	0.102	C	C	.	.			trans	-84.5	-47	-166.6	-169.8	-91.4	0	0	0	112.7	D141 L142 A158 F160 L162 S163 D198	H139-D141 PolarHBondContact CE1-O 2.9Å; H139-D141 PolarHBondContact ND1-O 2.85Å; H139-D141 PolarHBondContact O-N 3.46Å; H139-D141 VanDerWaalsContact O-N 3.11Å; H139-L142 HydrophobicContact CB-CD1 4.28Å; H139-L142 HydrophobicContact CB-CD2 3.88Å; H139-L142 HydrophobicContact CB-CG 3.8Å; H139-L142 WeakPolarHBondContact ND1-CD2 3.39Å; H139-L142 PolarHBondContact ND1-N 3.16Å; H139-A158 PolarHBondContact CE1-O 3.24Å; H139-A158 PolarHBondContact NE2-O 3.37Å; H139-F160 AromaticContact CD2-CD1 3.59Å; H139-F160 AromaticContact CD2-CE1 3.55Å; H139-F160 AromaticContact CD2-CG 3.87Å; H139-F160 AromaticContact CD2-CZ 3.8Å; H139-F160 AromaticContact NE2-CD2 3.98Å; H139-L162 CarbonylContact O-C 3.6Å; H139-S163 WeakPolarHBondContact O-CA 3.5Å; H139-S163 PolarHBondContact O-N 3.18Å; H139-D198 PolarHBondContact N-OD1 2.95Å; H139-D198 PolarHBondContact N-OD2 2.88Å
140	R	94	Very high	93.3	Very high	19 Å²	19	23.4 Å²	23.4	7%	0.072	11%	0.109	C	C	.	.	S	Bend	trans	64	4.4	171.8	-46.7	-173.7	-59.3	169	-1.3	117.7	V138 L162 G177 Y192 D198	V138-R140 HydrophobicContact CB-CG 4.27Å; V138-R140 HydrophobicContact CG2-CG 4.01Å; R140-L162 PolarHBondContact NE-O 3.39Å; R140-L162 VanDerWaalsContact NE-O 3.08Å; R140-L162 PolarHBondContact NH2-O 2.79Å; R140-G177 VanDerWaalsContact O-CA 3.3Å; R140-G177 WeakPolarHBondContact O-CA 3.31Å; R140-Y192 WeakPolarHBondContact CD-OH 3.41Å; R140-Y192 PolarHBondContact NH1-OH 2.73Å; R140-Y192 VanDerWaalsContact NH1-OH 3.07Å; R140-D198 PolarHBondContact N-OD1 2.83Å
141	D	93.8	Very high	92.9	Very high	20 Å²	20	26.4 Å²	26.4	11%	0.107	14%	0.137	C	C	.	.			trans	-139.9	50.6	163.3	-166.6	41.2	0	0	0	109.3	H139 K143 N146 L162 G177 S178	H139-D141 PolarHBondContact CE1-O 2.9Å; H139-D141 PolarHBondContact ND1-O 2.85Å; H139-D141 PolarHBondContact O-N 3.46Å; H139-D141 VanDerWaalsContact O-N 3.11Å; D141-K143 PolarHBondContact O-N 2.78Å; D141-K143 WeakPolarHBondContact OD2-CE 3.38Å; D141-N146 PolarHBondContact O-ND2 2.9Å; D141-N146 PolarHBondContact OD2-ND2 2.97Å; D141-L162 HydrophobicContact CB-CB 4.28Å; D141-L162 HydrophobicContact CB-CD1 3.82Å; D141-G177 VanDerWaalsContact OD1-CA 3.26Å; D141-G177 WeakPolarHBondContact OD1-CA 3.19Å; D141-S178 PolarHBondContact OD1-N 3.01Å; D141-S178 PolarHBondContact OD1-OG 3.32Å
142	L	97.9	Very high	92.9	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.167	C	C	.	.			trans	-74.9	121.7	172.5	-69.9	171.5	0	0	0	109.3	V129 H139 I157 D198 I205	V129-L142 HydrophobicContact CG1-CD1 4.41Å; V129-L142 HydrophobicContact CG2-CD1 3.67Å; V129-L142 HydrophobicContact CG2-CD2 4.36Å; H139-L142 HydrophobicContact CB-CD1 4.28Å; H139-L142 HydrophobicContact CB-CD2 3.88Å; H139-L142 HydrophobicContact CB-CG 3.8Å; H139-L142 WeakPolarHBondContact ND1-CD2 3.39Å; H139-L142 PolarHBondContact ND1-N 3.16Å; L142-I157 HydrophobicContact CD2-CD1 3.92Å; L142-I157 HydrophobicContact CD2-CG2 3.9Å; L142-D198 HydrophobicContact CD1-CB 3.64Å; L142-I205 HydrophobicContact CB-CD1 4.14Å
143	K	96.8	Very high	93	Very high	27 Å²	27	36.2 Å²	36.2	12%	0.117	19%	0.185	C	C	.	.	S	Bend	trans	-163.7	161.4	-179.4	60.2	-172.5	-170.4	147.6	0	110.5	D141 E145 N146 V147 S178 Y181	D141-K143 PolarHBondContact O-N 2.78Å; D141-K143 WeakPolarHBondContact OD2-CE 3.38Å; K143-E145 WeakPolarHBondContact CB-OE2 3.49Å; K143-E145 VanDerWaalsContact CD-OE1 3.3Å; K143-E145 WeakPolarHBondContact CD-OE1 3.25Å; K143-E145 VanDerWaalsContact CE-OE1 3.28Å; K143-E145 WeakPolarHBondContact CE-OE1 3.49Å; K143-E145 HydrophobicContact CG-CB 4.4Å; K143-E145 WeakPolarHBondContact CG-OE2 3.23Å; K143-E145 IonicContact NZ-OE1 2.82Å; K143-E145 PolarHBondContact NZ-OE1 2.65Å; K143-E145 PolarHBondContact O-N 3.17Å; K143-E145 VanDerWaalsContact O-N 3.17Å; K143-N146 WeakPolarHBondContact CE-ND2 3.24Å; K143-N146 HydrophobicContact CG-CB 4.04Å; K143-N146 CarbonylContact O-C 3.47Å; K143-N146 WeakPolarHBondContact O-CA 3.34Å; K143-N146 PolarHBondContact O-N 3.04Å; K143-V147 PolarHBondContact O-N 2.92Å; K143-S178 VanDerWaalsContact CD-OG 3.25Å; K143-S178 WeakPolarHBondContact CD-OG 3.33Å; K143-S178 WeakPolarHBondContact CE-OG 3.38Å; K143-S178 PolarHBondContact NZ-OG 2.94Å; K143-Y181 HydrophobicContact CB-CD1 3.97Å; K143-Y181 HydrophobicContact CB-CD2 3.7Å; K143-Y181 HydrophobicContact CB-CE1 4.02Å; K143-Y181 HydrophobicContact CB-CE2 3.7Å; K143-Y181 HydrophobicContact CB-CG 3.83Å; K143-Y181 HydrophobicContact CD-CD2 4.34Å; K143-Y181 HydrophobicContact CD-CE2 4.39Å
144	P	97.2	Very high	93.1	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.013	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-22.3	-177.1	-23.5	36	0	0	0	114.9	L103 F104 I107 V147 Y181 I205	L103-P144 HydrophobicContact CB-CB 4.25Å; L103-P144 WeakPolarHBondContact CB-O 3.49Å; L103-P144 HydrophobicContact CG-CB 4.33Å; L103-P144 PolarHBondContact N-O 3.33Å; L103-P144 VanDerWaalsContact N-O 3.11Å; F104-P144 HydrophobicContact CB-CB 3.86Å; F104-P144 PolarHBondContact N-O 3.28Å; I107-P144 HydrophobicContact CD1-CB 4.3Å; I107-P144 HydrophobicContact CD1-CG 4.36Å; P144-V147 VanDerWaalsContact O-O 3.1Å; P144-Y181 VanDerWaalsContact CD-CZ 3.43Å; P144-Y181 WeakPolarHBondContact CD-OH 3.49Å; P144-Y181 HydrophobicContact CG-CE1 4.22Å; P144-I205 HydrophobicContact CG-CG1 4.26Å
145	E	94.6	Very high	93.6	Very high	46 Å²	46	32.5 Å²	32.5	22%	0.215	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-33	171.3	-48.3	97	97.9	0	0	112.1	E102 F104 K143	E102-E145 WeakPolarHBondContact OE2-CA 3.45Å; E102-E145 WeakPolarHBondContact OE2-CB 3.3Å; F104-E145 HydrophobicContact CB-CG 4.05Å; F104-E145 HydrophobicContact CD2-CG 4.4Å; F104-E145 HydrophobicContact CG-CG 4.17Å; K143-E145 WeakPolarHBondContact CB-OE2 3.49Å; K143-E145 VanDerWaalsContact CD-OE1 3.3Å; K143-E145 WeakPolarHBondContact CD-OE1 3.25Å; K143-E145 VanDerWaalsContact CE-OE1 3.28Å; K143-E145 WeakPolarHBondContact CE-OE1 3.49Å; K143-E145 HydrophobicContact CG-CB 4.4Å; K143-E145 WeakPolarHBondContact CG-OE2 3.23Å; K143-E145 IonicContact NZ-OE1 2.82Å; K143-E145 PolarHBondContact NZ-OE1 2.65Å; K143-E145 PolarHBondContact O-N 3.17Å; K143-E145 VanDerWaalsContact O-N 3.17Å
146	N	95.8	Very high	94.2	Very high	21 Å²	21	30.3 Å²	30.3	11%	0.112	16%	0.163	C	C	.	.	S	Bend	trans	-93	6.6	179.4	-67.7	-14.2	0	0	0	112.7	D141 K143 A158	D141-N146 PolarHBondContact O-ND2 2.9Å; D141-N146 PolarHBondContact OD2-ND2 2.97Å; K143-N146 WeakPolarHBondContact CE-ND2 3.24Å; K143-N146 HydrophobicContact CG-CB 4.04Å; K143-N146 CarbonylContact O-C 3.47Å; K143-N146 WeakPolarHBondContact O-CA 3.34Å; K143-N146 PolarHBondContact O-N 3.04Å; N146-A158 PolarHBondContact O-N 2.66Å
147	V	97.8	Very high	94.7	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	113.9	168.8	179.8	0	0	0	0	108	L103 I125 K143 P144 A155	L103-V147 HydrophobicContact CB-CB 4.08Å; L103-V147 HydrophobicContact CB-CG1 4.16Å; L103-V147 VanDerWaalsContact CB-O 3.27Å; L103-V147 WeakPolarHBondContact CB-O 3.15Å; L103-V147 HydrophobicContact CD2-CB 4.13Å; L103-V147 HydrophobicContact CD2-CG1 3.9Å; L103-V147 PolarHBondContact N-O 2.98Å; I125-V147 HydrophobicContact CD1-CG1 4.11Å; I125-V147 HydrophobicContact CD1-CG2 4.4Å; I125-V147 HydrophobicContact CG1-CG1 4.14Å; I125-V147 HydrophobicContact CG1-CG2 4.48Å; K143-V147 PolarHBondContact O-N 2.92Å; P144-V147 VanDerWaalsContact O-O 3.1Å; V147-A155 HydrophobicContact CG1-CB 3.86Å
148	L	96.9	Very high	94.9	Very high	41 Å²	41	27.4 Å²	27.4	22%	0.215	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	158.5	180	-54.7	-177.5	0	0	0	111.2	I79 V98 G101 E102 A155 K156 A158	I79-L148 HydrophobicContact CD1-CD1 4.14Å; I79-L148 HydrophobicContact CG1-CD1 4.29Å; V98-L148 HydrophobicContact CG2-CB 3.55Å; V98-L148 HydrophobicContact CG2-CD1 3.9Å; V98-L148 HydrophobicContact CG2-CG 4.38Å; G101-L148 CarbonylContact O-C 3.56Å; G101-L148 VanDerWaalsContact O-CA 3.31Å; G101-L148 WeakPolarHBondContact O-CA 3.28Å; E102-L148 HydrophobicContact CB-CD2 4.42Å; E102-L148 HydrophobicContact CG-CD2 3.78Å; L148-A155 CarbonylContact O-C 3.56Å; L148-A155 WeakPolarHBondContact O-CA 3.49Å; L148-K156 PolarHBondContact N-O 3.06Å; L148-K156 PolarHBondContact O-N 3.32Å; L148-A158 HydrophobicContact CD1-CB 3.94Å; L148-A158 HydrophobicContact CG-CB 3.99Å
149	L	97	Very high	94.5	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	136.9	175.9	-64.9	178.2	0	0	0	111.8	V98 G100 G101 L103 Y106 L121 N154	V98-L149 WeakPolarHBondContact CB-O 3.3Å; G100-L149 WeakPolarHBondContact CA-O 3.36Å; G100-L149 PolarHBondContact N-O 3.28Å; G101-L149 PolarHBondContact O-N 3.25Å; L103-L149 HydrophobicContact CD1-CD1 4.22Å; L103-L149 HydrophobicContact CD1-CD2 4.35Å; Y106-L149 HydrophobicContact CD1-CD1 4.23Å; Y106-L149 HydrophobicContact CD2-CD1 3.99Å; Y106-L149 HydrophobicContact CG-CD1 3.72Å; L121-L149 HydrophobicContact CD2-CD2 3.77Å; L149-N154 WeakPolarHBondContact CA-O 3.26Å
150	D	91.1	Very high	94.1	Very high	30 Å²	30	30.1 Å²	30.1	16%	0.16	17%	0.165	C	C	.	.			trans	-80	-179.2	167.5	83	-0.5	0	0	0	112.9	V98 N152 K153 N154	V98-D150 HydrophobicContact CB-CB 4.25Å; V98-D150 HydrophobicContact CG1-CB 3.75Å; D150-N152 PolarHBondContact O-N 2.95Å; D150-N152 VanDerWaalsContact OD1-C 3.25Å; D150-N152 VanDerWaalsContact OD1-CA 3.28Å; D150-N152 WeakPolarHBondContact OD1-CA 3.42Å; D150-N152 WeakPolarHBondContact OD1-CB 3.39Å; D150-N152 PolarHBondContact OD1-N 3.11Å; D150-K153 PolarHBondContact O-N 3.14Å; D150-K153 VanDerWaalsContact O-N 3.11Å; D150-K153 PolarHBondContact OD1-N 2.93Å; D150-N154 PolarHBondContact N-O 2.65Å; D150-N154 VanDerWaalsContact N-O 3.08Å; D150-N154 PolarHBondContact OD1-N 3.2Å; D150-N154 PolarHBondContact OD1-ND2 3.47Å; D150-N154 WeakPolarHBondContact OD2-CB 3.45Å; D150-N154 PolarHBondContact OD2-ND2 2.8Å
151	A	89.3	Confident	93.5	Very high	80 Å²	80	29.5 Å²	29.5	66%	0.661	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-19	179.1	0	0	0	0	0	114.1
152	N	89.9	Confident	92.8	Very high	125 Å²	125	30.9 Å²	30.9	67%	0.668	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103	11.4	178.7	-54.7	-45.6	0	0	0	112	D150 N154	D150-N152 PolarHBondContact O-N 2.95Å; D150-N152 VanDerWaalsContact OD1-C 3.25Å; D150-N152 VanDerWaalsContact OD1-CA 3.28Å; D150-N152 WeakPolarHBondContact OD1-CA 3.42Å; D150-N152 WeakPolarHBondContact OD1-CB 3.39Å; D150-N152 PolarHBondContact OD1-N 3.11Å; N152-N154 VanDerWaalsContact C-N 3.33Å; N152-N154 PolarHBondContact O-N 3.49Å
153	K	94.6	Very high	92.1	Very high	88 Å²	88	31.3 Å²	31.3	38%	0.383	18%	0.175	S	C	.	.			trans	58.1	34	-172.7	-49.3	-179.6	-175.1	179.9	0	114.5	Y106 E117 R120 L121 D150	Y106-K153 HydrophobicContact CE2-CD 4.11Å; Y106-K153 PolarHBondContact OH-NZ 3.47Å; E117-K153 WeakPolarHBondContact OE1-CD 3.35Å; E117-K153 IonicContact OE1-NZ 2.68Å; R120-K153 PolarHBondContact NH1-O 3.4Å; R120-K153 VanDerWaalsContact NH1-O 3.13Å; R120-K153 PolarHBondContact NH2-O 3.4Å; L121-K153 VanDerWaalsContact CD2-O 3.29Å; L121-K153 WeakPolarHBondContact CD2-O 2.83Å; D150-K153 PolarHBondContact O-N 3.14Å; D150-K153 VanDerWaalsContact O-N 3.11Å; D150-K153 PolarHBondContact OD1-N 2.93Å
154	N	95.4	Very high	91.5	Very high	39 Å²	39	31.3 Å²	31.3	21%	0.209	18%	0.176	C	C	.	.			trans	-78.1	132.9	165.4	-61.8	-60.7	0	0	0	110.3	Q124 L149 D150 N152	Q124-N154 PolarHBondContact NE2-OD1 3.42Å; Q124-N154 VanDerWaalsContact OE1-CA 3.31Å; L149-N154 WeakPolarHBondContact CA-O 3.26Å; D150-N154 PolarHBondContact N-O 2.65Å; D150-N154 VanDerWaalsContact N-O 3.08Å; D150-N154 PolarHBondContact OD1-N 3.2Å; D150-N154 PolarHBondContact OD1-ND2 3.47Å; D150-N154 WeakPolarHBondContact OD2-CB 3.45Å; D150-N154 PolarHBondContact OD2-ND2 2.8Å; N152-N154 VanDerWaalsContact C-N 3.33Å; N152-N154 PolarHBondContact O-N 3.49Å
155	A	97.9	Very high	90.8	Very high	1 Å²	1	34 Å²	34	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	143.4	173.1	0	0	0	0	0	111.3	H77 L121 Q124 I125 V147 L148	H77-A155 WeakPolarHBondContact CA-O 3.21Å; H77-A155 WeakPolarHBondContact CB-O 3.49Å; H77-A155 PolarHBondContact ND1-O 2.78Å; L121-A155 HydrophobicContact CD2-CB 4.26Å; Q124-A155 HydrophobicContact CB-CB 4.1Å; I125-A155 HydrophobicContact CG1-CB 3.96Å; V147-A155 HydrophobicContact CG1-CB 3.86Å; L148-A155 CarbonylContact O-C 3.56Å; L148-A155 WeakPolarHBondContact O-CA 3.49Å
156	K	95.4	Very high	90.3	Very high	13 Å²	13	33.3 Å²	33.3	6%	0.057	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	126.1	167.7	-68.8	-173.5	-177	-91.2	0	111.5	P76 H77 I79 E96 V98 L148	P76-K156 PolarHBondContact O-NZ 3.44Å; H77-K156 WeakPolarHBondContact O-CA 3.44Å; I79-K156 HydrophobicContact CD1-CB 3.9Å; I79-K156 HydrophobicContact CD1-CD 3.68Å; I79-K156 HydrophobicContact CD1-CG 4.48Å; I79-K156 HydrophobicContact CG1-CB 4.02Å; I79-K156 HydrophobicContact CG1-CD 4.48Å; E96-K156 VanDerWaalsContact CD-CE 3.42Å; E96-K156 VanDerWaalsContact OE1-CE 3.23Å; E96-K156 WeakPolarHBondContact OE1-CE 3.47Å; E96-K156 IonicContact OE1-NZ 2.76Å; E96-K156 PolarHBondContact OE1-NZ 3.27Å; E96-K156 WeakPolarHBondContact OE2-CE 3.26Å; E96-K156 IonicContact OE2-NZ 3.18Å; E96-K156 PolarHBondContact OE2-NZ 3.42Å; V98-K156 HydrophobicContact CG1-CD 3.71Å; L148-K156 PolarHBondContact N-O 3.06Å; L148-K156 PolarHBondContact O-N 3.32Å
157	I	96.8	Very high	89.5	Confident	3 Å²	3	35.4 Å²	35.4	2%	0.015	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	137.6	175.6	-57.9	-175.6	0	0	0	110.4	H77 I79 A128 V129 L142 F160	H77-I157 PolarHBondContact O-N 3.43Å; I79-I157 PolarHBondContact N-O 2.99Å; A128-I157 HydrophobicContact CB-CD1 3.48Å; A128-I157 VanDerWaalsContact CB-CD1 3.48Å; A128-I157 HydrophobicContact CB-CG1 3.92Å; V129-I157 HydrophobicContact CG2-CD1 3.67Å; L142-I157 HydrophobicContact CD2-CD1 3.92Å; L142-I157 HydrophobicContact CD2-CG2 3.9Å; I157-F160 HydrophobicContact CG2-CE2 3.97Å; I157-F160 HydrophobicContact CG2-CZ 3.96Å
158	A	92.1	Very high	88.3	Confident	13 Å²	13	41.8 Å²	41.8	11%	0.107	24%	0.237	C	C	.	.			trans	-136.7	166	-175.2	0	0	0	0	0	112.9	I79 H139 N146 L148	I79-A158 HydrophobicContact CG1-CB 3.93Å; H139-A158 PolarHBondContact CE1-O 3.24Å; H139-A158 PolarHBondContact NE2-O 3.37Å; N146-A158 PolarHBondContact O-N 2.66Å; L148-A158 HydrophobicContact CD1-CB 3.94Å; L148-A158 HydrophobicContact CG-CB 3.99Å
159	D	85.9	Confident	87.3	Confident	56 Å²	56	42.6 Å²	42.6	30%	0.299	25%	0.254	S	S	.	.			trans	51.1	69.6	-179	-151.8	-13.8	0	0	0	117.4	K47 G161	K47-D159 VanDerWaalsContact NZ-CG 3.3Å; K47-D159 IonicContact NZ-OD1 3.75Å; K47-D159 PolarHBondContact NZ-OD1 2.86Å; K47-D159 IonicContact NZ-OD2 3.31Å; D159-G161 PolarHBondContact O-N 2.86Å; D159-G161 PolarHBondContact OD1-N 3.49Å
160	F	86.8	Confident	86.6	Confident	3 Å²	3	47.8 Å²	47.8	1%	0.013	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-67.5	12.8	170.5	-71.8	-104.2	0	0	0	114.4	E66 L70 F73 I78 V137 H139 I157 L162 S163	E66-F160 HydrophobicContact CG-CB 4.3Å; L70-F160 HydrophobicContact CD1-CB 4.42Å; L70-F160 HydrophobicContact CD2-CB 4.48Å; L70-F160 HydrophobicContact CD2-CD2 3.62Å; L70-F160 HydrophobicContact CD2-CE2 4.03Å; L70-F160 HydrophobicContact CD2-CG 4.05Å; L70-F160 HydrophobicContact CG-CB 4.37Å; L70-F160 HydrophobicContact CG-CD2 4.4Å; L70-F160 HydrophobicContact CG-CG 4.43Å; F73-F160 HydrophobicContact CD2-CE1 4.14Å; F73-F160 HydrophobicContact CD2-CZ 4.22Å; F73-F160 HydrophobicContact CE2-CD1 4.18Å; F73-F160 AromaticContact CE2-CE1 3.58Å; F73-F160 HydrophobicContact CE2-CE1 3.58Å; F73-F160 HydrophobicContact CE2-CZ 4.07Å; I78-F160 HydrophobicContact CD1-CZ 4.47Å; I78-F160 HydrophobicContact CG2-CE2 3.83Å; I78-F160 HydrophobicContact CG2-CZ 3.97Å; V137-F160 HydrophobicContact CG1-CD1 4.45Å; H139-F160 AromaticContact CD2-CD1 3.59Å; H139-F160 AromaticContact CD2-CE1 3.55Å; H139-F160 AromaticContact CD2-CG 3.87Å; H139-F160 AromaticContact CD2-CZ 3.8Å; H139-F160 AromaticContact NE2-CD2 3.98Å; I157-F160 HydrophobicContact CG2-CE2 3.97Å; I157-F160 HydrophobicContact CG2-CZ 3.96Å; F160-L162 PolarHBondContact O-N 2.93Å; F160-L162 VanDerWaalsContact O-N 3.13Å; F160-S163 VanDerWaalsContact O-CB 3.22Å; F160-S163 WeakPolarHBondContact O-CB 3.25Å; F160-S163 PolarHBondContact O-N 3.23Å; F160-S163 PolarHBondContact O-OG 2.85Å
161	G	79.7	Confident	86.3	Confident	6 Å²	6	52 Å²	52	6%	0.062	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-65	-13.6	-177.3	0	0	0	0	0	115.6	D159	D159-G161 PolarHBondContact O-N 2.86Å; D159-G161 PolarHBondContact OD1-N 3.49Å
162	L	79	Confident	86.2	Confident	49 Å²	49	49.1 Å²	49.1	26%	0.257	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-108	0.8	170.9	-67.1	179.4	0	0	0	114	H139 R140 D141 F160	H139-L162 CarbonylContact O-C 3.6Å; R140-L162 PolarHBondContact NE-O 3.39Å; R140-L162 VanDerWaalsContact NE-O 3.08Å; R140-L162 PolarHBondContact NH2-O 2.79Å; D141-L162 HydrophobicContact CB-CB 4.28Å; D141-L162 HydrophobicContact CB-CD1 3.82Å; F160-L162 PolarHBondContact O-N 2.93Å; F160-L162 VanDerWaalsContact O-N 3.13Å
163	S	84.1	Confident	86.1	Confident	11 Å²	11	51.4 Å²	51.4	8%	0.077	27%	0.269	C	S	.	.			trans	-63.1	166.6	179.2	69.8	0	0	0	0	113.3	V138 H139 F160	V138-S163 CarbonylContact O-C 3.52Å; V138-S163 WeakPolarHBondContact O-CA 3.34Å; V138-S163 VanDerWaalsContact O-CB 3.27Å; V138-S163 WeakPolarHBondContact O-CB 3.36Å; H139-S163 WeakPolarHBondContact O-CA 3.5Å; H139-S163 PolarHBondContact O-N 3.18Å; F160-S163 VanDerWaalsContact O-CB 3.22Å; F160-S163 WeakPolarHBondContact O-CB 3.25Å; F160-S163 PolarHBondContact O-N 3.23Å; F160-S163 PolarHBondContact O-OG 2.85Å
164	N	83.5	Confident	85.6	Confident	27 Å²	27	50.8 Å²	50.8	14%	0.144	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	150.9	169.2	-151.3	60.1	0	0	0	109.9	R65 V137 V138 L172	R65-N164 VanDerWaalsContact CZ-OD1 3.24Å; R65-N164 PolarHBondContact NH1-OD1 3.12Å; R65-N164 PolarHBondContact NH2-OD1 3.33Å; V137-N164 WeakPolarHBondContact CA-O 3.3Å; V138-N164 PolarHBondContact N-O 2.88Å; V138-N164 PolarHBondContact O-N 3.38Å; N164-L172 HydrophobicContact CB-CD1 4.3Å; N164-L172 VanDerWaalsContact ND2-CD2 3.28Å; N164-L172 WeakPolarHBondContact ND2-CD2 3.49Å
165	M	82.9	Confident	85	Confident	57 Å²	57	52.5 Å²	52.5	28%	0.281	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	142.6	160.8	-59.8	-172.9	-53.1	0	0	109	M136 V137	M136-M165 CarbonylContact O-C 3.37Å; M136-M165 VanDerWaalsContact O-CA 3.28Å; M136-M165 WeakPolarHBondContact O-CA 3.33Å; V137-M165 HydrophobicContact CG2-CG 4.4Å
166	M	84.3	Confident	84.4	Confident	33 Å²	33	53.6 Å²	53.6	16%	0.163	30%	0.295	C	S	.	.			trans	-78.6	163.9	165	-60.5	-170.6	-72.9	0	0	109.1	M136 V138 P195	M136-M166 HydrophobicContact CB-CB 4.42Å; M136-M166 HydrophobicContact CB-CE 4.49Å; M136-M166 HydrophobicContact CE-CB 4.13Å; M136-M166 PolarHBondContact O-N 2.92Å; M136-M166 HydrophobicContact SD-CE 3.88Å; V138-M166 HydrophobicContact CG1-CE 4.11Å; V138-M166 HydrophobicContact CG1-CG 3.92Å; V138-M166 HydrophobicContact CG1-SD 3.56Å; V138-M166 VanDerWaalsContact CG1-SD 3.56Å; V138-M166 HydrophobicContact CG2-CG 4.19Å; M166-P195 HydrophobicContact CE-CG 4.05Å; M166-P195 VanDerWaalsContact SD-CD 3.55Å; M166-P195 HydrophobicContact SD-CG 3.58Å; M166-P195 VanDerWaalsContact SD-CG 3.58Å
167	S	78.8	Confident	83.9	Confident	65 Å²	65	54.2 Å²	54.2	46%	0.455	31%	0.305	S	S	.	.			trans	-154.4	136.7	175.5	-58.8	0	0	0	0	108.2	G169 E170	S167-G169 PolarHBondContact O-N 3.49Å; S167-E170 PolarHBondContact O-N 2.81Å
168	D	73.9	Confident	83.6	Confident	134 Å²	134	55.3 Å²	55.3	72%	0.717	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	127.7	-163.7	-64.1	-38.6	0	0	0	112.7	M136 E170 K471	M136-D168 WeakPolarHBondContact CE-OD1 3.43Å; D168-E170 PolarHBondContact O-N 2.78Å; D168-K471 VanDerWaalsContact O-CE 3.23Å; D168-K471 WeakPolarHBondContact O-CE 3.37Å; D168-K471 PolarHBondContact O-NZ 3.33Å
169	G	74.6	Confident	83.6	Confident	57 Å²	57	57.4 Å²	57.4	59%	0.588	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	21.4	-173.1	0	0	0	0	0	114.8	S167 K471	S167-G169 PolarHBondContact O-N 3.49Å; G169-K471 WeakPolarHBondContact O-CD 3.4Å; G169-K471 WeakPolarHBondContact O-CE 3.46Å; G169-K471 PolarHBondContact O-NZ 2.89Å
170	E	81.7	Confident	84	Confident	113 Å²	113	56.1 Å²	56.1	53%	0.528	32%	0.318	S	S	.	.			trans	-105.1	139.2	161.4	-64.5	-146.9	156.6	0	0	110.6	S167 D168	S167-E170 PolarHBondContact O-N 2.81Å; D168-E170 PolarHBondContact O-N 2.78Å
171	F	86.1	Confident	84.6	Confident	118 Å²	118	56.7 Å²	56.7	52%	0.518	32%	0.32	S	S	.	.			trans	-105.6	142.3	177	-68.3	-82	0	0	0	111.2	L191	F171-L191 HydrophobicContact CB-CB 3.9Å; F171-L191 HydrophobicContact CB-CD1 4.4Å; F171-L191 HydrophobicContact CB-CD2 3.9Å; F171-L191 HydrophobicContact CB-CG 4.27Å; F171-L191 HydrophobicContact CG-CB 4.33Å
172	L	87.5	Confident	85.4	Confident	21 Å²	21	56.8 Å²	56.8	11%	0.11	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-83.3	146.1	174	-55.5	-174.3	0	0	0	110.4	V138 N164 L191 Y192	V138-L172 HydrophobicContact CG2-CD1 3.66Å; N164-L172 HydrophobicContact CB-CD1 4.3Å; N164-L172 VanDerWaalsContact ND2-CD2 3.28Å; N164-L172 WeakPolarHBondContact ND2-CD2 3.49Å; L172-L191 WeakPolarHBondContact O-CA 3.38Å; L172-Y192 HydrophobicContact CB-CD1 4.49Å; L172-Y192 HydrophobicContact CB-CD2 3.84Å; L172-Y192 HydrophobicContact CB-CE1 4.14Å; L172-Y192 HydrophobicContact CB-CE2 3.42Å; L172-Y192 VanDerWaalsContact CB-CE2 3.42Å; L172-Y192 HydrophobicContact CB-CG 4.35Å; L172-Y192 HydrophobicContact CD1-CE2 3.86Å; L172-Y192 HydrophobicContact CG-CE2 4.23Å; L172-Y192 PolarHBondContact N-O 3.36Å; L172-Y192 VanDerWaalsContact O-CD1 3.27Å; L172-Y192 WeakPolarHBondContact O-CD1 3.39Å; L172-Y192 PolarHBondContact O-N 3.28Å
173	R	86.9	Confident	86.3	Confident	173 Å²	173	54.5 Å²	54.5	65%	0.653	31%	0.308	S	S	*	.			trans	-133.8	-2	178.4	-149.8	-173	163.9	-168.4	-6.4	114.4	S175 G189 L191	R173-S175 PolarHBondContact O-N 2.83Å; R173-S175 VanDerWaalsContact O-N 3.1Å; R173-G189 PolarHBondContact NE-O 3.03Å; R173-G189 VanDerWaalsContact NE-O 3.16Å; R173-L191 HydrophobicContact CB-CD2 3.66Å; R173-L191 HydrophobicContact CG-CD2 3.7Å; R173-L191 HydrophobicContact CG-CG 4.4Å
174	T	83.6	Confident	86.9	Confident	75 Å²	75	54.2 Å²	54.2	46%	0.46	31%	0.306	S	S	.	.			trans	-70.1	112.3	-177.7	-41.1	0	0	0	0	108.9	C176 Y192	T174-C176 HydrophobicContact CG2-CB 4.24Å; T174-C176 PolarHBondContact O-N 2.96Å; T174-Y192 PolarHBondContact O-OH 2.79Å
175	S	84.1	Confident	87.6	Confident	75 Å²	75	53.2 Å²	53.2	52%	0.524	30%	0.301	S	S	.	.			trans	-67.4	109.7	162.5	-59.9	0	0	0	0	107.8	R173 V186	R173-S175 PolarHBondContact O-N 2.83Å; R173-S175 VanDerWaalsContact O-N 3.1Å; S175-V186 PolarHBondContact OG-O 3.25Å
176	C	84.3	Confident	88.2	Confident	24 Å²	24	50.7 Å²	50.7	16%	0.162	29%	0.289	C	S	.	.			trans	-150.4	177	179	61.6	0	0	0	0	109.5	T174	T174-C176 HydrophobicContact CG2-CB 4.24Å; T174-C176 PolarHBondContact O-N 2.96Å
177	G	85.5	Confident	88.7	Confident	26 Å²	26	50.6 Å²	50.6	27%	0.268	29%	0.288	S	S	.	.	S	Bend	trans	84.6	171.6	-170.9	0	0	0	0	0	112.7	R140 D141	R140-G177 VanDerWaalsContact O-CA 3.3Å; R140-G177 WeakPolarHBondContact O-CA 3.31Å; D141-G177 VanDerWaalsContact OD1-CA 3.26Å; D141-G177 WeakPolarHBondContact OD1-CA 3.19Å
178	S	89.6	Confident	89.4	Confident	25 Å²	25	49.8 Å²	49.8	18%	0.175	28%	0.283	C	S	.	.			trans	-83	131.2	-176.1	-56.2	0	0	0	0	111.3	D141 K143 N180 Y181 A182	D141-S178 PolarHBondContact OD1-N 3.01Å; D141-S178 PolarHBondContact OD1-OG 3.32Å; K143-S178 VanDerWaalsContact CD-OG 3.25Å; K143-S178 WeakPolarHBondContact CD-OG 3.33Å; K143-S178 WeakPolarHBondContact CE-OG 3.38Å; K143-S178 PolarHBondContact NZ-OG 2.94Å; S178-N180 PolarHBondContact O-N 3.14Å; S178-N180 VanDerWaalsContact O-N 3.12Å; S178-Y181 PolarHBondContact O-N 3.46Å; S178-A182 PolarHBondContact O-N 3.19Å
179	P	91.9	Very high	90.1	Very high	58 Å²	58	44.5 Å²	44.5	38%	0.377	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-43.7	-165	-34.6	37.6	0	0	0	117.4	Y181 A182 L224 F225 I228	P179-Y181 VanDerWaalsContact C-N 3.25Å; P179-Y181 PolarHBondContact O-N 3.48Å; P179-A182 PolarHBondContact O-N 2.88Å; P179-L224 HydrophobicContact CB-CD2 4.03Å; P179-F225 HydrophobicContact CB-CE1 4.27Å; P179-I228 VanDerWaalsContact O-CD1 3.3Å; P179-I228 WeakPolarHBondContact O-CD1 3.48Å
180	N	96.3	Very high	90.9	Very high	28 Å²	28	49.5 Å²	49.5	15%	0.15	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-22.1	-177.4	-57.5	73.9	0	0	0	113.8	S178 L214 F216 D217	S178-N180 PolarHBondContact O-N 3.14Å; S178-N180 VanDerWaalsContact O-N 3.12Å; N180-L214 HydrophobicContact CB-CD1 3.91Å; N180-F216 PolarHBondContact ND2-O 3.23Å; N180-D217 PolarHBondContact ND2-OD1 3.31Å
181	Y	97.9	Very high	91.3	Very high	16 Å²	16	47.7 Å²	47.7	6%	0.063	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-12.2	179.7	-54.7	-85.9	0	0	0	112.4	K143 P144 S178 P179 W200 S201 V204 L214	K143-Y181 HydrophobicContact CB-CD1 3.97Å; K143-Y181 HydrophobicContact CB-CD2 3.7Å; K143-Y181 HydrophobicContact CB-CE1 4.02Å; K143-Y181 HydrophobicContact CB-CE2 3.7Å; K143-Y181 HydrophobicContact CB-CG 3.83Å; K143-Y181 HydrophobicContact CD-CD2 4.34Å; K143-Y181 HydrophobicContact CD-CE2 4.39Å; P144-Y181 VanDerWaalsContact CD-CZ 3.43Å; P144-Y181 WeakPolarHBondContact CD-OH 3.49Å; P144-Y181 HydrophobicContact CG-CE1 4.22Å; S178-Y181 PolarHBondContact O-N 3.46Å; P179-Y181 VanDerWaalsContact C-N 3.25Å; P179-Y181 PolarHBondContact O-N 3.48Å; Y181-W200 VanDerWaalsContact O-CD1 3.29Å; Y181-S201 PolarHBondContact O-OG 3.21Å; Y181-V204 HydrophobicContact CD1-CB 3.88Å; Y181-V204 HydrophobicContact CD1-CG1 3.35Å; Y181-V204 HydrophobicContact CE1-CB 4.46Å; Y181-V204 HydrophobicContact CE1-CG1 3.6Å; Y181-V204 HydrophobicContact CG-CG1 4.22Å; Y181-L214 HydrophobicContact CE1-CD2 3.95Å
182	A	97.1	Very high	91.7	Very high	8 Å²	8	42.3 Å²	42.3	7%	0.066	23%	0.231	C	C	.	.	S	Bend	trans	-76.6	133.8	-176.2	0	0	0	0	0	112.5	S178 P179 I187 W200	S178-A182 PolarHBondContact O-N 3.19Å; P179-A182 PolarHBondContact O-N 2.88Å; A182-I187 HydrophobicContact CB-CG2 3.7Å; A182-W200 PolarHBondContact O-NE1 3.23Å
183	A	97.8	Very high	91.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.241	C	C	.	.			trans	-66.6	154.5	-178.5	0	0	0	0	0	113.4	E185 V186 I187 V197 W200	A183-E185 VanDerWaalsContact C-N 3.25Å; A183-E185 HydrophobicContact CB-CG 4.5Å; A183-E185 VanDerWaalsContact CB-OE1 3.3Å; A183-E185 WeakPolarHBondContact CB-OE1 3.38Å; A183-E185 PolarHBondContact O-N 3.45Å; A183-E185 VanDerWaalsContact O-N 3.14Å; A183-V186 HydrophobicContact CB-CG2 4.21Å; A183-V186 WeakPolarHBondContact O-CB 3.32Å; A183-V186 PolarHBondContact O-N 3.25Å; A183-I187 PolarHBondContact O-N 3.22Å; A183-V197 HydrophobicContact CB-CB 4.37Å; A183-V197 HydrophobicContact CB-CG1 4.14Å; A183-V197 HydrophobicContact CB-CG2 4.18Å; A183-W200 HydrophobicContact CB-CB 3.82Å; A183-W200 HydrophobicContact CB-CD2 4.24Å; A183-W200 HydrophobicContact CB-CG 3.72Å
184	P	97.8	Very high	92.3	Very high	5 Å²	5	35 Å²	35	3%	0.032	21%	0.21	C	C	.	.	H	α-helix	trans	-53.9	-36.7	-175.9	-28.9	36.7	0	0	0	114.6	I187 S188 W200 I228 R229 V253	P184-I187 WeakPolarHBondContact O-CG1 3.35Å; P184-S188 WeakPolarHBondContact O-CB 3.44Å; P184-S188 PolarHBondContact O-N 3.33Å; P184-S188 VanDerWaalsContact O-N 3.16Å; P184-S188 PolarHBondContact O-OG 2.75Å; P184-W200 HydrophobicContact CG-CE3 4.18Å; P184-W200 HydrophobicContact CG-CH2 3.54Å; P184-W200 HydrophobicContact CG-CZ2 3.93Å; P184-W200 HydrophobicContact CG-CZ3 3.67Å; P184-I228 HydrophobicContact CB-CG2 4.4Å; P184-I228 HydrophobicContact CG-CG2 3.95Å; P184-R229 HydrophobicContact CB-CG 4.49Å; P184-V253 HydrophobicContact CB-CG1 4.06Å; P184-V253 HydrophobicContact CG-CB 4.45Å; P184-V253 HydrophobicContact CG-CG1 4.13Å; P184-V253 HydrophobicContact CG-CG2 4.33Å
185	E	96.9	Very high	92.9	Very high	7 Å²	7	33.3 Å²	33.3	3%	0.033	20%	0.2	C	C	.	.	H	α-helix	trans	-69.5	-35.7	176.5	59.4	-81.4	-172.7	0	0	113.2	A183 S188 G189 R190 V197 R258	A183-E185 VanDerWaalsContact C-N 3.25Å; A183-E185 HydrophobicContact CB-CG 4.5Å; A183-E185 VanDerWaalsContact CB-OE1 3.3Å; A183-E185 WeakPolarHBondContact CB-OE1 3.38Å; A183-E185 PolarHBondContact O-N 3.45Å; A183-E185 VanDerWaalsContact O-N 3.14Å; E185-S188 CarbonylContact O-C 3.57Å; E185-S188 PolarHBondContact O-N 3.05Å; E185-G189 PolarHBondContact O-N 3.24Å; E185-G189 VanDerWaalsContact O-N 3.16Å; E185-R190 HydrophobicContact CB-CB 4.1Å; E185-R190 WeakPolarHBondContact O-CB 3.23Å; E185-R190 PolarHBondContact O-N 2.66Å; E185-V197 HydrophobicContact CG-CG2 4.47Å; E185-R258 IonicContact OE1-CZ 3.53Å; E185-R258 IonicContact OE1-NH1 2.79Å; E185-R258 PolarHBondContact OE1-NH1 2.81Å; E185-R258 IonicContact OE1-NH2 2.66Å; E185-R258 PolarHBondContact OE1-NH2 2.87Å; E185-R258 IonicContact OE2-CZ 3.29Å; E185-R258 IonicContact OE2-NH1 2.78Å; E185-R258 IonicContact OE2-NH2 2.65Å; E185-R258 PolarHBondContact OE2-NH2 3.08Å
186	V	96.1	Very high	93.6	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.024	18%	0.183	C	C	.	.	H	α-helix	trans	-70.3	-46.5	179.5	-178	0	0	0	0	111	S175 A183 S188 G189 Y192 V197	S175-V186 PolarHBondContact OG-O 3.25Å; A183-V186 HydrophobicContact CB-CG2 4.21Å; A183-V186 WeakPolarHBondContact O-CB 3.32Å; A183-V186 PolarHBondContact O-N 3.25Å; V186-S188 PolarHBondContact O-N 3.11Å; V186-G189 PolarHBondContact O-N 3.41Å; V186-G189 VanDerWaalsContact O-N 3.13Å; V186-Y192 HydrophobicContact CG2-CD1 4.04Å; V186-Y192 HydrophobicContact CG2-CE1 3.97Å; V186-Y192 HydrophobicContact CG2-CG 4.43Å; V186-V197 HydrophobicContact CG2-CB 4.28Å; V186-V197 HydrophobicContact CG2-CG1 3.6Å; V186-V197 HydrophobicContact CG2-CG2 3.61Å
187	I	94.9	Very high	94.2	Very high	30 Å²	30	30.4 Å²	30.4	15%	0.154	18%	0.177	C	C	.	.	H	α-helix	trans	-70	-17.7	174.7	64.6	162.3	0	0	0	112.5	A182 A183 P184 F225 I228 R229	A182-I187 HydrophobicContact CB-CG2 3.7Å; A183-I187 PolarHBondContact O-N 3.22Å; P184-I187 WeakPolarHBondContact O-CG1 3.35Å; I187-F225 HydrophobicContact CB-CD1 4.1Å; I187-F225 HydrophobicContact CB-CE1 4.02Å; I187-F225 HydrophobicContact CB-CG 4.49Å; I187-F225 HydrophobicContact CB-CZ 4.34Å; I187-F225 HydrophobicContact CD1-CB 3.95Å; I187-F225 HydrophobicContact CD1-CD1 3.72Å; I187-F225 HydrophobicContact CD1-CE1 4.45Å; I187-F225 HydrophobicContact CD1-CG 3.96Å; I187-F225 HydrophobicContact CG2-CD1 4.13Å; I187-F225 HydrophobicContact CG2-CE1 3.76Å; I187-F225 HydrophobicContact CG2-CZ 4.33Å; I187-I228 HydrophobicContact CD1-CB 3.7Å; I187-I228 HydrophobicContact CD1-CD1 4.19Å; I187-I228 HydrophobicContact CD1-CG2 3.49Å; I187-I228 VanDerWaalsContact CD1-CG2 3.49Å; I187-I228 HydrophobicContact CG1-CG2 4.25Å; I187-R229 HydrophobicContact CD1-CG 4.08Å
188	S	92.3	Very high	94.8	Very high	49 Å²	49	29.2 Å²	29.2	34%	0.343	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-0	172.7	-59	0	0	0	0	113.8	P184 E185 V186 R190	P184-S188 WeakPolarHBondContact O-CB 3.44Å; P184-S188 PolarHBondContact O-N 3.33Å; P184-S188 VanDerWaalsContact O-N 3.16Å; P184-S188 PolarHBondContact O-OG 2.75Å; E185-S188 CarbonylContact O-C 3.57Å; E185-S188 PolarHBondContact O-N 3.05Å; V186-S188 PolarHBondContact O-N 3.11Å; S188-R190 PolarHBondContact O-N 3.46Å
189	G	89.8	Confident	95.3	Very high	22 Å²	22	28.2 Å²	28.2	23%	0.227	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	22.6	-179.3	0	0	0	0	0	114.7	R173 E185 V186	R173-G189 PolarHBondContact NE-O 3.03Å; R173-G189 VanDerWaalsContact NE-O 3.16Å; E185-G189 PolarHBondContact O-N 3.24Å; E185-G189 VanDerWaalsContact O-N 3.16Å; V186-G189 PolarHBondContact O-N 3.41Å; V186-G189 VanDerWaalsContact O-N 3.13Å
190	R	90.8	Very high	95.6	Very high	163 Å²	163	25.4 Å²	25.4	62%	0.615	14%	0.139	S	C	*	.			trans	-76.9	170.5	177.8	-66.9	-179.8	177.9	-179.4	-1.8	110.6	E185 S188	E185-R190 HydrophobicContact CB-CB 4.1Å; E185-R190 WeakPolarHBondContact O-CB 3.23Å; E185-R190 PolarHBondContact O-N 2.66Å; S188-R190 PolarHBondContact O-N 3.46Å
191	L	90.3	Very high	95.7	Very high	75 Å²	75	24.3 Å²	24.3	39%	0.393	13%	0.133	S	C	.	.			trans	-80.1	141.3	167.5	-68.4	172.1	0	0	0	109.9	F171 L172 R173 Y459	F171-L191 HydrophobicContact CB-CB 3.9Å; F171-L191 HydrophobicContact CB-CD1 4.4Å; F171-L191 HydrophobicContact CB-CD2 3.9Å; F171-L191 HydrophobicContact CB-CG 4.27Å; F171-L191 HydrophobicContact CG-CB 4.33Å; L172-L191 WeakPolarHBondContact O-CA 3.38Å; R173-L191 HydrophobicContact CB-CD2 3.66Å; R173-L191 HydrophobicContact CG-CD2 3.7Å; R173-L191 HydrophobicContact CG-CG 4.4Å; L191-Y459 HydrophobicContact CD1-CD1 4.42Å; L191-Y459 HydrophobicContact CD1-CE1 3.63Å
192	Y	94	Very high	95.8	Very high	5 Å²	5	23.5 Å²	23.5	2%	0.02	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-142.4	154.6	179.3	60.8	-91.2	0	0	0	109.2	R140 L172 T174 V186 E196 V197	R140-Y192 WeakPolarHBondContact CD-OH 3.41Å; R140-Y192 PolarHBondContact NH1-OH 2.73Å; R140-Y192 VanDerWaalsContact NH1-OH 3.07Å; L172-Y192 HydrophobicContact CB-CD1 4.49Å; L172-Y192 HydrophobicContact CB-CD2 3.84Å; L172-Y192 HydrophobicContact CB-CE1 4.14Å; L172-Y192 HydrophobicContact CB-CE2 3.42Å; L172-Y192 VanDerWaalsContact CB-CE2 3.42Å; L172-Y192 HydrophobicContact CB-CG 4.35Å; L172-Y192 HydrophobicContact CD1-CE2 3.86Å; L172-Y192 HydrophobicContact CG-CE2 4.23Å; L172-Y192 PolarHBondContact N-O 3.36Å; L172-Y192 VanDerWaalsContact O-CD1 3.27Å; L172-Y192 WeakPolarHBondContact O-CD1 3.39Å; L172-Y192 PolarHBondContact O-N 3.28Å; T174-Y192 PolarHBondContact O-OH 2.79Å; V186-Y192 HydrophobicContact CG2-CD1 4.04Å; V186-Y192 HydrophobicContact CG2-CE1 3.97Å; V186-Y192 HydrophobicContact CG2-CG 4.43Å; Y192-E196 WeakPolarHBondContact CA-OE1 3.46Å; Y192-E196 WeakPolarHBondContact CB-OE1 3.17Å; Y192-V197 HydrophobicContact CD2-CB 4.48Å; Y192-V197 HydrophobicContact CD2-CG2 3.54Å; Y192-V197 HydrophobicContact CE2-CG2 4.11Å; Y192-V197 HydrophobicContact CG-CG2 3.88Å
193	A	92.8	Very high	95.9	Very high	40 Å²	40	23.1 Å²	23.1	33%	0.331	13%	0.127	S	C	.	.			trans	-76	-51.5	177.5	0	0	0	0	0	110.1	E196	A193-E196 PolarHBondContact N-OE1 2.92Å
194	G	94.1	Very high	95.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	144.1	-55.7	178.6	0	0	0	0	0	113.5	E196 V197 D198	G194-E196 VanDerWaalsContact C-N 3.31Å; G194-E196 WeakPolarHBondContact CA-OE2 3.44Å; G194-E196 PolarHBondContact N-OE2 3.13Å; G194-E196 PolarHBondContact O-N 3.19Å; G194-V197 WeakPolarHBondContact O-CB 3.47Å; G194-V197 PolarHBondContact O-N 3.34Å; G194-V197 VanDerWaalsContact O-N 3.11Å; G194-D198 PolarHBondContact O-N 3.08Å
195	P	96.9	Very high	96	Very high	39 Å²	39	22.9 Å²	22.9	25%	0.253	13%	0.125	S	C	.	.	H	α-helix	trans	-59.3	-39.9	-173.4	-28.9	39.1	0	0	0	113.5	H133 V138 M166 V197 D198 I199	H133-P195 VanDerWaalsContact CE1-CA 3.43Å; H133-P195 WeakPolarHBondContact CE1-CA 3.5Å; V138-P195 HydrophobicContact CG1-CG 4.19Å; M166-P195 HydrophobicContact CE-CG 4.05Å; M166-P195 VanDerWaalsContact SD-CD 3.55Å; M166-P195 HydrophobicContact SD-CG 3.58Å; M166-P195 VanDerWaalsContact SD-CG 3.58Å; P195-V197 PolarHBondContact O-N 3.05Å; P195-D198 PolarHBondContact O-N 3.24Å; P195-I199 WeakPolarHBondContact O-CG1 3.39Å; P195-I199 PolarHBondContact O-N 3.03Å
196	E	97.9	Very high	96	Very high	35 Å²	35	22.6 Å²	22.6	16%	0.164	12%	0.124	C	C	.	.	H	α-helix	trans	-62.2	-27.9	179.9	75.8	-80.3	-150.4	0	0	112.9	Y192 A193 G194 W200 P255 R258	Y192-E196 WeakPolarHBondContact CA-OE1 3.46Å; Y192-E196 WeakPolarHBondContact CB-OE1 3.17Å; A193-E196 PolarHBondContact N-OE1 2.92Å; G194-E196 VanDerWaalsContact C-N 3.31Å; G194-E196 WeakPolarHBondContact CA-OE2 3.44Å; G194-E196 PolarHBondContact N-OE2 3.13Å; G194-E196 PolarHBondContact O-N 3.19Å; E196-W200 PolarHBondContact O-N 3.36Å; E196-W200 VanDerWaalsContact O-N 3.12Å; E196-P255 HydrophobicContact CB-CB 4.43Å; E196-P255 HydrophobicContact CG-CB 3.87Å; E196-R258 WeakPolarHBondContact O-CD 3.37Å; E196-R258 PolarHBondContact O-NH1 2.96Å
197	V	98.1	Very high	96.2	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.024	12%	0.124	C	C	.	.	H	α-helix	trans	-77.1	-40.8	178.1	175.8	0	0	0	0	111.1	A183 E185 V186 Y192 G194 P195 I199 W200 S201	A183-V197 HydrophobicContact CB-CB 4.37Å; A183-V197 HydrophobicContact CB-CG1 4.14Å; A183-V197 HydrophobicContact CB-CG2 4.18Å; E185-V197 HydrophobicContact CG-CG2 4.47Å; V186-V197 HydrophobicContact CG2-CB 4.28Å; V186-V197 HydrophobicContact CG2-CG1 3.6Å; V186-V197 HydrophobicContact CG2-CG2 3.61Å; Y192-V197 HydrophobicContact CD2-CB 4.48Å; Y192-V197 HydrophobicContact CD2-CG2 3.54Å; Y192-V197 HydrophobicContact CE2-CG2 4.11Å; Y192-V197 HydrophobicContact CG-CG2 3.88Å; G194-V197 WeakPolarHBondContact O-CB 3.47Å; G194-V197 PolarHBondContact O-N 3.34Å; G194-V197 VanDerWaalsContact O-N 3.11Å; P195-V197 PolarHBondContact O-N 3.05Å; V197-I199 VanDerWaalsContact C-N 3.3Å; V197-W200 PolarHBondContact O-N 3.16Å; V197-S201 PolarHBondContact O-N 3.39Å; V197-S201 PolarHBondContact O-OG 3Å
198	D	98.5	Very high	96.3	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-64.6	-37.6	173.2	-78.6	-18.1	0	0	0	110.4	V129 H133 V138 H139 R140 L142 G194 P195 S201 C202	V129-D198 HydrophobicContact CG1-CB 4.15Å; H133-D198 IonicContact CD2-OD2 2.68Å; H133-D198 IonicContact CE1-OD2 3.63Å; H133-D198 WeakPolarHBondContact NE2-CB 3.35Å; H133-D198 IonicContact NE2-OD2 2.82Å; H133-D198 PolarHBondContact NE2-OD2 3.29Å; V138-D198 WeakPolarHBondContact CA-OD2 3.47Å; H139-D198 PolarHBondContact N-OD1 2.95Å; H139-D198 PolarHBondContact N-OD2 2.88Å; R140-D198 PolarHBondContact N-OD1 2.83Å; L142-D198 HydrophobicContact CD1-CB 3.64Å; G194-D198 PolarHBondContact O-N 3.08Å; P195-D198 PolarHBondContact O-N 3.24Å; D198-S201 WeakPolarHBondContact O-CB 3.46Å; D198-S201 PolarHBondContact O-N 3.33Å; D198-C202 PolarHBondContact O-N 3.13Å; D198-C202 PolarHBondContact O-SG 3.17Å; D198-C202 VanDerWaalsContact O-SG 3.33Å
199	I	98.8	Very high	96.6	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.015	10%	0.103	C	C	.	.	H	α-helix	trans	-66	-41.7	175.5	-61.7	-64.7	0	0	0	112.7	P195 V197 S201 C202 G203 M250 A259 I261 I264	P195-I199 WeakPolarHBondContact O-CG1 3.39Å; P195-I199 PolarHBondContact O-N 3.03Å; V197-I199 VanDerWaalsContact C-N 3.3Å; I199-S201 VanDerWaalsContact C-N 3.3Å; I199-S201 PolarHBondContact O-N 3.02Å; I199-C202 WeakPolarHBondContact O-CB 3.43Å; I199-C202 PolarHBondContact O-N 3.16Å; I199-G203 PolarHBondContact O-N 3.1Å; I199-M250 HydrophobicContact CG2-CB 4.36Å; I199-M250 HydrophobicContact CG2-CE 3.93Å; I199-M250 HydrophobicContact CG2-CG 4.16Å; I199-M250 WeakPolarHBondContact O-CE 3.25Å; I199-A259 WeakPolarHBondContact CG2-O 3.43Å; I199-I261 HydrophobicContact CD1-CD1 4.16Å; I199-I261 HydrophobicContact CD1-CG1 3.4Å; I199-I261 HydrophobicContact CG1-CG1 4.35Å; I199-I264 HydrophobicContact CD1-CD1 3.68Å; I199-I264 HydrophobicContact CG2-CD1 3.89Å
200	W	98.8	Very high	97	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.3	-47.1	172.1	175.7	-78.6	0	0	0	110.8	Y181 A182 A183 P184 E196 V197 C202 G203 V204 F216 I228 L251 V253	Y181-W200 VanDerWaalsContact O-CD1 3.29Å; A182-W200 PolarHBondContact O-NE1 3.23Å; A183-W200 HydrophobicContact CB-CB 3.82Å; A183-W200 HydrophobicContact CB-CD2 4.24Å; A183-W200 HydrophobicContact CB-CG 3.72Å; P184-W200 HydrophobicContact CG-CE3 4.18Å; P184-W200 HydrophobicContact CG-CH2 3.54Å; P184-W200 HydrophobicContact CG-CZ2 3.93Å; P184-W200 HydrophobicContact CG-CZ3 3.67Å; E196-W200 PolarHBondContact O-N 3.36Å; E196-W200 VanDerWaalsContact O-N 3.12Å; V197-W200 PolarHBondContact O-N 3.16Å; W200-C202 VanDerWaalsContact C-N 3.32Å; W200-C202 PolarHBondContact O-N 2.74Å; W200-G203 WeakPolarHBondContact O-CA 3.41Å; W200-G203 PolarHBondContact O-N 2.74Å; W200-V204 PolarHBondContact O-N 2.89Å; W200-F216 AromaticContact CH2-CE2 3.77Å; W200-F216 HydrophobicContact CH2-CE2 3.77Å; W200-F216 AromaticContact CH2-CZ 3.95Å; W200-F216 HydrophobicContact CH2-CZ 3.95Å; W200-F216 AromaticContact CZ2-CD2 3.93Å; W200-F216 HydrophobicContact CZ2-CD2 3.93Å; W200-F216 AromaticContact CZ2-CE2 3.33Å; W200-F216 HydrophobicContact CZ2-CE2 3.33Å; W200-F216 AromaticContact CZ2-CZ 3.96Å; W200-F216 HydrophobicContact CZ2-CZ 3.96Å; W200-I228 HydrophobicContact CZ2-CG2 3.91Å; W200-L251 HydrophobicContact CD2-CD2 3.91Å; W200-L251 HydrophobicContact CE3-CD2 4.13Å; W200-L251 HydrophobicContact CG-CD2 4.3Å; W200-L251 HydrophobicContact CZ2-CD2 4.41Å; W200-L251 VanDerWaalsContact CZ3-C 3.48Å; W200-L251 HydrophobicContact CZ3-CB 4.26Å; W200-L251 HydrophobicContact CZ3-CD2 4.48Å; W200-L251 VanDerWaalsContact CZ3-O 3.25Å; W200-L251 WeakPolarHBondContact CZ3-O 3.31Å; W200-V253 HydrophobicContact CH2-CG2 4.45Å; W200-V253 HydrophobicContact CZ3-CG2 4.43Å
201	S	98.8	Very high	97.3	Very high	4 Å²	4	11.4 Å²	11.4	3%	0.028	7%	0.068	C	C	.	.	H	α-helix	trans	-56.4	-44.9	176.3	-48.9	0	0	0	0	111.9	Y181 V197 D198 I199 G203 V204 I205	Y181-S201 PolarHBondContact O-OG 3.21Å; V197-S201 PolarHBondContact O-N 3.39Å; V197-S201 PolarHBondContact O-OG 3Å; D198-S201 WeakPolarHBondContact O-CB 3.46Å; D198-S201 PolarHBondContact O-N 3.33Å; I199-S201 VanDerWaalsContact C-N 3.3Å; I199-S201 PolarHBondContact O-N 3.02Å; S201-G203 VanDerWaalsContact C-N 3.33Å; S201-G203 PolarHBondContact O-N 2.85Å; S201-V204 PolarHBondContact O-N 2.84Å; S201-I205 WeakPolarHBondContact O-CG1 3.23Å; S201-I205 PolarHBondContact O-N 2.92Å
202	C	98.9	Very high	97.6	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.2	-36	174.2	-72.4	0	0	0	0	113.1	F122 I126 D198 I199 W200 V204 I205 L206 M250	F122-C202 HydrophobicContact CE2-CB 4.18Å; I126-C202 HydrophobicContact CD1-CB 3.77Å; D198-C202 PolarHBondContact O-N 3.13Å; D198-C202 PolarHBondContact O-SG 3.17Å; D198-C202 VanDerWaalsContact O-SG 3.33Å; I199-C202 WeakPolarHBondContact O-CB 3.43Å; I199-C202 PolarHBondContact O-N 3.16Å; W200-C202 VanDerWaalsContact C-N 3.32Å; W200-C202 PolarHBondContact O-N 2.74Å; C202-V204 VanDerWaalsContact C-N 3.33Å; C202-I205 PolarHBondContact O-N 3.08Å; C202-L206 WeakPolarHBondContact O-CB 3.35Å; C202-L206 PolarHBondContact O-N 3.19Å; C202-M250 HydrophobicContact CB-CE 3.63Å
203	G	98.8	Very high	97.8	Very high	0 Å²	0	13 Å²	13	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.9	-37.9	174.8	0	0	0	0	0	112.2	I199 W200 S201 L206 Y207 L247 M250	I199-G203 PolarHBondContact O-N 3.1Å; W200-G203 WeakPolarHBondContact O-CA 3.41Å; W200-G203 PolarHBondContact O-N 2.74Å; S201-G203 VanDerWaalsContact C-N 3.33Å; S201-G203 PolarHBondContact O-N 2.85Å; G203-L206 PolarHBondContact O-N 3.13Å; G203-Y207 PolarHBondContact O-N 2.78Å; G203-L247 WeakPolarHBondContact O-CD2 3.36Å; G203-M250 VanDerWaalsContact N-CE 3.27Å
204	V	98.8	Very high	98	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-67.1	-40.1	173	179.6	0	0	0	0	111.2	Y181 W200 S201 C202 Y207 A208 L214 P215 L251	Y181-V204 HydrophobicContact CD1-CB 3.88Å; Y181-V204 HydrophobicContact CD1-CG1 3.35Å; Y181-V204 HydrophobicContact CE1-CB 4.46Å; Y181-V204 HydrophobicContact CE1-CG1 3.6Å; Y181-V204 HydrophobicContact CG-CG1 4.22Å; W200-V204 PolarHBondContact O-N 2.89Å; S201-V204 PolarHBondContact O-N 2.84Å; C202-V204 VanDerWaalsContact C-N 3.33Å; V204-Y207 PolarHBondContact O-N 3.41Å; V204-A208 WeakPolarHBondContact O-CB 3.45Å; V204-A208 PolarHBondContact O-N 3.25Å; V204-L214 HydrophobicContact CG1-CD2 3.95Å; V204-P215 HydrophobicContact CB-CG 4.35Å; V204-P215 HydrophobicContact CG1-CG 4.02Å; V204-P215 HydrophobicContact CG2-CG 4.09Å; V204-L251 HydrophobicContact CG2-CD2 3.93Å
205	I	98.8	Very high	98.2	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.3	-44.1	174	-65.9	162	0	0	0	111.5	L103 I125 L142 P144 S201 C202 Y207 A208 L209	L103-I205 HydrophobicContact CD2-CG2 4.38Å; I125-I205 HydrophobicContact CD1-CG2 4.06Å; L142-I205 HydrophobicContact CB-CD1 4.14Å; P144-I205 HydrophobicContact CG-CG1 4.26Å; S201-I205 WeakPolarHBondContact O-CG1 3.23Å; S201-I205 PolarHBondContact O-N 2.92Å; C202-I205 PolarHBondContact O-N 3.08Å; I205-Y207 VanDerWaalsContact C-N 3.35Å; I205-Y207 PolarHBondContact O-N 2.99Å; I205-A208 PolarHBondContact O-N 2.89Å; I205-L209 HydrophobicContact CG2-CD1 4.3Å; I205-L209 WeakPolarHBondContact O-CG 3.27Å; I205-L209 PolarHBondContact O-N 3.22Å
206	L	98.8	Very high	98.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.1	-44	177.3	179.4	57.6	0	0	0	111.4	F122 C202 G203 A208 L209 L210 V243 L246 L247 M250 W269	F122-L206 HydrophobicContact CB-CD1 4.16Å; F122-L206 HydrophobicContact CD1-CD1 4.25Å; F122-L206 HydrophobicContact CD1-CD2 4.36Å; F122-L206 HydrophobicContact CD2-CB 3.84Å; F122-L206 HydrophobicContact CD2-CD1 4.04Å; F122-L206 HydrophobicContact CD2-CD2 4.47Å; F122-L206 HydrophobicContact CD2-CG 4.32Å; F122-L206 HydrophobicContact CE1-CD2 4.05Å; F122-L206 HydrophobicContact CE2-CB 3.75Å; F122-L206 HydrophobicContact CE2-CD2 4.18Å; F122-L206 HydrophobicContact CE2-CG 4.37Å; F122-L206 HydrophobicContact CG-CD1 3.88Å; F122-L206 HydrophobicContact CZ-CB 4.37Å; F122-L206 HydrophobicContact CZ-CD2 3.96Å; C202-L206 WeakPolarHBondContact O-CB 3.35Å; C202-L206 PolarHBondContact O-N 3.19Å; G203-L206 PolarHBondContact O-N 3.13Å; L206-A208 VanDerWaalsContact C-N 3.34Å; L206-A208 PolarHBondContact O-N 2.92Å; L206-L209 PolarHBondContact O-N 3.1Å; L206-L210 HydrophobicContact CD1-CD1 3.74Å; L206-L210 HydrophobicContact CD1-CG 4.25Å; L206-L210 HydrophobicContact CG-CD1 3.93Å; L206-L210 WeakPolarHBondContact O-CD1 3.22Å; L206-L210 WeakPolarHBondContact O-CG 3.19Å; L206-L210 PolarHBondContact O-N 2.79Å; L206-V243 HydrophobicContact CD2-CG2 4.37Å; L206-L246 HydrophobicContact CD2-CD2 3.96Å; L206-L246 HydrophobicContact CD2-CG 4.26Å; L206-L247 HydrophobicContact CB-CD2 4.05Å; L206-L247 HydrophobicContact CD2-CD2 3.94Å; L206-L247 HydrophobicContact CD2-CG 4.23Å; L206-L247 HydrophobicContact CG-CD2 3.9Å; L206-L247 HydrophobicContact CG-CG 4.46Å; L206-M250 HydrophobicContact CD2-SD 4.29Å; L206-W269 HydrophobicContact CD1-CH2 3.52Å; L206-W269 HydrophobicContact CD1-CZ3 3.78Å; L206-W269 HydrophobicContact CD2-CZ3 4.23Å
207	Y	98.7	Very high	98.1	Very high	11 Å²	11	14.8 Å²	14.8	4%	0.043	9%	0.091	C	C	.	.	H	α-helix	trans	-60.7	-44.3	173.7	-173	-81.9	0	0	0	111.4	G203 V204 I205 L209 L210 C211 T213 L214 P215 F233 Y234 L247	G203-Y207 PolarHBondContact O-N 2.78Å; V204-Y207 PolarHBondContact O-N 3.41Å; I205-Y207 VanDerWaalsContact C-N 3.35Å; I205-Y207 PolarHBondContact O-N 2.99Å; Y207-L209 PolarHBondContact O-N 2.97Å; Y207-L210 PolarHBondContact O-N 2.67Å; Y207-C211 HydrophobicContact CD1-CB 3.9Å; Y207-C211 HydrophobicContact CE1-CB 3.52Å; Y207-C211 HydrophobicContact CE2-CB 4.44Å; Y207-C211 VanDerWaalsContact CE2-SG 3.57Å; Y207-C211 VanDerWaalsContact CZ-SG 3.52Å; Y207-C211 VanDerWaalsContact O-CB 3.23Å; Y207-C211 WeakPolarHBondContact O-CB 3.41Å; Y207-C211 PolarHBondContact O-N 2.85Å; Y207-T213 WeakPolarHBondContact CD1-O 3.5Å; Y207-T213 WeakPolarHBondContact CE1-O 3.22Å; Y207-L214 VanDerWaalsContact CE1-C 3.5Å; Y207-P215 HydrophobicContact CD1-CB 3.73Å; Y207-P215 VanDerWaalsContact CD1-CD 3.43Å; Y207-P215 HydrophobicContact CD1-CG 3.97Å; Y207-P215 VanDerWaalsContact CD1-N 3.35Å; Y207-P215 HydrophobicContact CD2-CB 3.95Å; Y207-P215 HydrophobicContact CE1-CB 3.98Å; Y207-P215 HydrophobicContact CE2-CB 4.19Å; Y207-P215 HydrophobicContact CG-CB 3.71Å; Y207-P215 HydrophobicContact CG-CG 3.98Å; Y207-F233 HydrophobicContact CD2-CD2 4.02Å; Y207-F233 HydrophobicContact CD2-CE2 4.25Å; Y207-F233 AromaticContact CE2-CD2 3.84Å; Y207-F233 HydrophobicContact CE2-CD2 3.84Å; Y207-F233 HydrophobicContact CE2-CE2 4.37Å; Y207-Y234 VanDerWaalsContact CE2-O 3.27Å; Y207-Y234 WeakPolarHBondContact CE2-O 3.3Å; Y207-Y234 PolarHBondContact OH-O 3.37Å; Y207-L247 HydrophobicContact CD2-CD1 4.27Å
208	A	98.3	Very high	98.1	Very high	6 Å²	6	16.6 Å²	16.6	5%	0.05	10%	0.1	C	C	.	.	H	α-helix	trans	-63.1	-40	179.3	0	0	0	0	0	113.2	I107 V204 I205 L206 G212 T213	I107-A208 HydrophobicContact CD1-CB 4.34Å; V204-A208 WeakPolarHBondContact O-CB 3.45Å; V204-A208 PolarHBondContact O-N 3.25Å; I205-A208 PolarHBondContact O-N 2.89Å; L206-A208 VanDerWaalsContact C-N 3.34Å; L206-A208 PolarHBondContact O-N 2.92Å; A208-G212 VanDerWaalsContact O-CA 3.3Å; A208-G212 WeakPolarHBondContact O-CA 3.49Å; A208-G212 PolarHBondContact O-N 3.42Å; A208-T213 WeakPolarHBondContact CA-O 3.44Å
209	L	98.3	Very high	97.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.3	-51.4	172.7	-77.9	166.7	0	0	0	111.5	L103 I107 V113 A118 L121 F122 I205 L206 Y207	L103-L209 HydrophobicContact CD1-CD2 3.98Å; L103-L209 HydrophobicContact CD2-CD2 4.21Å; L103-L209 HydrophobicContact CG-CD2 4.4Å; I107-L209 HydrophobicContact CD1-CD2 4.15Å; I107-L209 HydrophobicContact CD1-CG 4.41Å; I107-L209 HydrophobicContact CG1-CD2 4.32Å; V113-L209 HydrophobicContact CB-CD2 4.33Å; V113-L209 WeakPolarHBondContact CB-O 3.49Å; V113-L209 HydrophobicContact CG2-CD2 3.85Å; V113-L209 PolarHBondContact N-O 2.68Å; A118-L209 HydrophobicContact CB-CB 4.17Å; L121-L209 HydrophobicContact CD1-CD2 4.09Å; F122-L209 HydrophobicContact CB-CD1 4.43Å; I205-L209 HydrophobicContact CG2-CD1 4.3Å; I205-L209 WeakPolarHBondContact O-CG 3.27Å; I205-L209 PolarHBondContact O-N 3.22Å; L206-L209 PolarHBondContact O-N 3.1Å; Y207-L209 PolarHBondContact O-N 2.97Å
210	L	98	Very high	97.7	Very high	7 Å²	7	31.5 Å²	31.5	4%	0.037	17%	0.17	C	C	.	.	H	α-helix	trans	-78.2	-35.5	-172.2	-63.3	164.3	0	0	0	113.1	R112 A118 L206 Y207 L239 V243 L247 W269	R112-L210 WeakPolarHBondContact CB-O 3.25Å; R112-L210 WeakPolarHBondContact CD-O 3.37Å; R112-L210 WeakPolarHBondContact CG-O 3.34Å; A118-L210 HydrophobicContact CB-CD2 3.68Å; A118-L210 HydrophobicContact CB-CG 4.36Å; L206-L210 HydrophobicContact CD1-CD1 3.74Å; L206-L210 HydrophobicContact CD1-CG 4.25Å; L206-L210 HydrophobicContact CG-CD1 3.93Å; L206-L210 WeakPolarHBondContact O-CD1 3.22Å; L206-L210 WeakPolarHBondContact O-CG 3.19Å; L206-L210 PolarHBondContact O-N 2.79Å; Y207-L210 PolarHBondContact O-N 2.67Å; L210-L239 HydrophobicContact CB-CD2 3.88Å; L210-V243 HydrophobicContact CD1-CB 4.46Å; L210-V243 HydrophobicContact CD1-CG1 4.22Å; L210-V243 HydrophobicContact CD1-CG2 3.41Å; L210-V243 VanDerWaalsContact CD1-CG2 3.41Å; L210-L247 HydrophobicContact CD1-CD1 4.34Å; L210-W269 HydrophobicContact CD2-CZ2 4.41Å
211	C	97.6	Very high	97.4	Very high	9 Å²	9	34.9 Å²	34.9	6%	0.061	19%	0.19	C	C	.	.	H	α-helix	trans	-103.7	-10.6	-172.2	-58.3	0	0	0	0	113.9	Y207 T213	Y207-C211 HydrophobicContact CD1-CB 3.9Å; Y207-C211 HydrophobicContact CE1-CB 3.52Å; Y207-C211 HydrophobicContact CE2-CB 4.44Å; Y207-C211 VanDerWaalsContact CE2-SG 3.57Å; Y207-C211 VanDerWaalsContact CZ-SG 3.52Å; Y207-C211 VanDerWaalsContact O-CB 3.23Å; Y207-C211 WeakPolarHBondContact O-CB 3.41Å; Y207-C211 PolarHBondContact O-N 2.85Å; C211-T213 WeakPolarHBondContact CB-OG1 3.27Å; C211-T213 PolarHBondContact O-N 3.21Å; C211-T213 VanDerWaalsContact O-N 3.13Å; C211-T213 PolarHBondContact O-OG1 3.11Å
212	G	96.9	Very high	97.2	Very high	30 Å²	30	38.2 Å²	38.2	31%	0.309	21%	0.212	S	C	.	.	S	Bend	trans	62.3	14.3	-175.7	0	0	0	0	0	114.1	A208	A208-G212 VanDerWaalsContact O-CA 3.3Å; A208-G212 WeakPolarHBondContact O-CA 3.49Å; A208-G212 PolarHBondContact O-N 3.42Å
213	T	96.7	Very high	97.1	Very high	83 Å²	83	40.8 Å²	40.8	51%	0.509	23%	0.227	S	C	.	.	S	Bend	trans	-152.2	163.6	-168.7	45.5	0	0	0	0	109.3	Y207 A208 C211	Y207-T213 WeakPolarHBondContact CD1-O 3.5Å; Y207-T213 WeakPolarHBondContact CE1-O 3.22Å; A208-T213 WeakPolarHBondContact CA-O 3.44Å; C211-T213 WeakPolarHBondContact CB-OG1 3.27Å; C211-T213 PolarHBondContact O-N 3.21Å; C211-T213 VanDerWaalsContact O-N 3.13Å; C211-T213 PolarHBondContact O-OG1 3.11Å
214	L	97.5	Very high	97	Very high	48 Å²	48	41 Å²	41	25%	0.251	23%	0.228	S	C	.	.			trans	-88.4	146.7	179.9	-68.4	169.8	0	0	0	112.1	N180 Y181 V204 Y207 F216 D217	N180-L214 HydrophobicContact CB-CD1 3.91Å; Y181-L214 HydrophobicContact CE1-CD2 3.95Å; V204-L214 HydrophobicContact CG1-CD2 3.95Å; Y207-L214 VanDerWaalsContact CE1-C 3.5Å; L214-F216 VanDerWaalsContact C-N 3.34Å; L214-D217 HydrophobicContact CB-CB 4.15Å; L214-D217 HydrophobicContact CD1-CB 4.41Å
215	P	97.9	Very high	96.9	Very high	14 Å²	14	43.9 Å²	43.9	9%	0.091	24%	0.241	C	C	.	.	S	Bend	trans	-74.3	-28	176.7	29.2	-30.9	0	0	0	112.1	V204 Y207 F233 L251	V204-P215 HydrophobicContact CB-CG 4.35Å; V204-P215 HydrophobicContact CG1-CG 4.02Å; V204-P215 HydrophobicContact CG2-CG 4.09Å; Y207-P215 HydrophobicContact CD1-CB 3.73Å; Y207-P215 VanDerWaalsContact CD1-CD 3.43Å; Y207-P215 HydrophobicContact CD1-CG 3.97Å; Y207-P215 VanDerWaalsContact CD1-N 3.35Å; Y207-P215 HydrophobicContact CD2-CB 3.95Å; Y207-P215 HydrophobicContact CE1-CB 3.98Å; Y207-P215 HydrophobicContact CE2-CB 4.19Å; Y207-P215 HydrophobicContact CG-CB 3.71Å; Y207-P215 HydrophobicContact CG-CG 3.98Å; P215-F233 HydrophobicContact CB-CB 3.76Å; P215-F233 HydrophobicContact CB-CD2 4.29Å; P215-F233 HydrophobicContact CB-CG 4.12Å; P215-F233 WeakPolarHBondContact O-CB 3.17Å; P215-L251 HydrophobicContact CB-CD1 4.43Å; P215-L251 HydrophobicContact CG-CD1 4.39Å
216	F	98.1	Very high	96.8	Very high	1 Å²	1	51.3 Å²	51.3	0%	0.004	27%	0.274	C	S	.	.	S	Bend	trans	-130.7	109.3	175.7	-47.4	-70.9	0	0	0	109	N180 W200 L214 L224 K227 I228 F233 L251	N180-F216 PolarHBondContact ND2-O 3.23Å; W200-F216 AromaticContact CH2-CE2 3.77Å; W200-F216 HydrophobicContact CH2-CE2 3.77Å; W200-F216 AromaticContact CH2-CZ 3.95Å; W200-F216 HydrophobicContact CH2-CZ 3.95Å; W200-F216 AromaticContact CZ2-CD2 3.93Å; W200-F216 HydrophobicContact CZ2-CD2 3.93Å; W200-F216 AromaticContact CZ2-CE2 3.33Å; W200-F216 HydrophobicContact CZ2-CE2 3.33Å; W200-F216 AromaticContact CZ2-CZ 3.96Å; W200-F216 HydrophobicContact CZ2-CZ 3.96Å; L214-F216 VanDerWaalsContact C-N 3.34Å; F216-L224 HydrophobicContact CB-CD1 4.11Å; F216-L224 WeakPolarHBondContact O-CD1 3.47Å; F216-K227 HydrophobicContact CD1-CB 4.29Å; F216-I228 HydrophobicContact CB-CG1 3.66Å; F216-I228 HydrophobicContact CD2-CG1 4.22Å; F216-I228 HydrophobicContact CG-CG1 3.93Å; F216-F233 HydrophobicContact CD1-CB 4.48Å; F216-F233 HydrophobicContact CE1-CB 3.91Å; F216-F233 HydrophobicContact CE1-CD1 4.32Å; F216-F233 HydrophobicContact CZ-CB 4.14Å; F216-F233 AromaticContact CZ-CD1 3.88Å; F216-F233 HydrophobicContact CZ-CD1 3.88Å; F216-F233 HydrophobicContact CZ-CG 4.39Å; F216-L251 HydrophobicContact CE2-CD1 4.36Å
217	D	96.2	Very high	96.7	Very high	90 Å²	90	55.4 Å²	55.4	48%	0.481	29%	0.291	S	S	.	.			trans	-144.6	148.2	172.8	-164.7	26.8	0	0	0	111.7	N180 L214 K227	N180-D217 PolarHBondContact ND2-OD1 3.31Å; L214-D217 HydrophobicContact CB-CB 4.15Å; L214-D217 HydrophobicContact CD1-CB 4.41Å; D217-K227 WeakPolarHBondContact O-CD 3.22Å; D217-K227 PolarHBondContact O-NZ 3.45Å
218	D	96.3	Very high	96.7	Very high	42 Å²	42	54.9 Å²	54.9	23%	0.225	29%	0.289	C	S	.	.			trans	-169.4	134.5	177	-153.3	-79.6	0	0	0	110.1	H220 T223 L224 K227	D218-H220 PolarHBondContact O-N 3.43Å; D218-H220 WeakPolarHBondContact OD1-CB 3.41Å; D218-H220 PolarHBondContact OD1-N 2.83Å; D218-T223 HydrophobicContact CB-CG2 4.44Å; D218-T223 WeakPolarHBondContact OD1-CB 3.33Å; D218-T223 WeakPolarHBondContact OD2-CG2 3.26Å; D218-L224 HydrophobicContact CB-CB 3.9Å; D218-K227 HydrophobicContact CB-CD 4.27Å; D218-K227 WeakPolarHBondContact OD2-CE 3.34Å; D218-K227 IonicContact OD2-NZ 3.86Å; D218-K227 PolarHBondContact OD2-NZ 2.86Å
219	E	94.6	Very high	96.6	Very high	205 Å²	205	60.9 Å²	60.9	96%	0.958	31%	0.31	S	S	*	.	S	Bend	trans	-60.1	-29.2	173.7	-62.2	-176.5	170.1	0	0	112.2
220	H	94.9	Very high	96.6	Very high	112 Å²	112	63 Å²	63	52%	0.519	33%	0.333	S	S	.	.	S	Bend	trans	-94.2	102	178.7	-162.9	63.5	0	0	0	110.9	D218 P222 T223 L224	D218-H220 PolarHBondContact O-N 3.43Å; D218-H220 WeakPolarHBondContact OD1-CB 3.41Å; D218-H220 PolarHBondContact OD1-N 2.83Å; H220-P222 VanDerWaalsContact C-CD 3.5Å; H220-P222 VanDerWaalsContact C-N 3.33Å; H220-P222 WeakPolarHBondContact NE2-CG 3.39Å; H220-P222 VanDerWaalsContact O-N 3.12Å; H220-T223 PolarHBondContact CD2-OG1 2.63Å; H220-T223 WeakPolarHBondContact O-CA 3.5Å; H220-T223 VanDerWaalsContact O-CB 3.32Å; H220-T223 WeakPolarHBondContact O-CB 3.46Å; H220-T223 PolarHBondContact O-N 3.19Å; H220-L224 PolarHBondContact O-N 3Å
221	V	93.1	Very high	96.5	Very high	71 Å²	71	63.4 Å²	63.4	43%	0.43	34%	0.339	S	S	.	.	H	α-helix	trans	-48.2	-40.9	-177.3	178.3	0	0	0	0	114.6	T223 L224 F225	V221-T223 VanDerWaalsContact C-N 3.31Å; V221-T223 PolarHBondContact O-N 3.48Å; V221-L224 WeakPolarHBondContact O-CB 3.46Å; V221-L224 PolarHBondContact O-N 3.43Å; V221-F225 HydrophobicContact CG1-CD1 4.26Å; V221-F225 HydrophobicContact CG1-CD2 4.22Å; V221-F225 HydrophobicContact CG1-CE1 3.93Å; V221-F225 HydrophobicContact CG1-CE2 3.88Å; V221-F225 HydrophobicContact CG1-CG 4.41Å; V221-F225 HydrophobicContact CG1-CZ 3.73Å; V221-F225 WeakPolarHBondContact O-CB 3.36Å; V221-F225 WeakPolarHBondContact O-CG 3.47Å; V221-F225 PolarHBondContact O-N 3.09Å
222	P	93.8	Very high	96.4	Very high	74 Å²	74	68.9 Å²	68.9	48%	0.481	37%	0.371	S	S	.	.	H	α-helix	trans	-59.9	-34.1	172.1	-27.3	36.6	0	0	0	114.8	H220 K226	H220-P222 VanDerWaalsContact C-CD 3.5Å; H220-P222 VanDerWaalsContact C-N 3.33Å; H220-P222 WeakPolarHBondContact NE2-CG 3.39Å; H220-P222 VanDerWaalsContact O-N 3.12Å; P222-K226 PolarHBondContact O-N 3.02Å; P222-K226 VanDerWaalsContact O-N 3.09Å
223	T	96.4	Very high	96.5	Very high	53 Å²	53	69 Å²	69	33%	0.325	36%	0.363	S	S	.	.	H	α-helix	trans	-75.5	-41.6	174.6	-52.6	0	0	0	0	111.1	D218 H220 V221 F225 K226 K227	D218-T223 HydrophobicContact CB-CG2 4.44Å; D218-T223 WeakPolarHBondContact OD1-CB 3.33Å; D218-T223 WeakPolarHBondContact OD2-CG2 3.26Å; H220-T223 PolarHBondContact CD2-OG1 2.63Å; H220-T223 WeakPolarHBondContact O-CA 3.5Å; H220-T223 VanDerWaalsContact O-CB 3.32Å; H220-T223 WeakPolarHBondContact O-CB 3.46Å; H220-T223 PolarHBondContact O-N 3.19Å; V221-T223 VanDerWaalsContact C-N 3.31Å; V221-T223 PolarHBondContact O-N 3.48Å; T223-F225 VanDerWaalsContact C-N 3.34Å; T223-F225 PolarHBondContact O-N 3.18Å; T223-K226 CarbonylContact O-C 3.56Å; T223-K226 WeakPolarHBondContact O-CA 3.35Å; T223-K226 WeakPolarHBondContact O-CB 3.38Å; T223-K226 PolarHBondContact O-N 3.12Å; T223-K227 PolarHBondContact O-N 3.47Å
224	L	97.1	Very high	96.5	Very high	4 Å²	4	72.1 Å²	72.1	2%	0.021	37%	0.367	C	S	.	.	H	α-helix	trans	-54.6	-49.9	170.4	175.3	56.2	0	0	0	110.9	P179 F216 D218 H220 V221 K226 K227 I228	P179-L224 HydrophobicContact CB-CD2 4.03Å; F216-L224 HydrophobicContact CB-CD1 4.11Å; F216-L224 WeakPolarHBondContact O-CD1 3.47Å; D218-L224 HydrophobicContact CB-CB 3.9Å; H220-L224 PolarHBondContact O-N 3Å; V221-L224 WeakPolarHBondContact O-CB 3.46Å; V221-L224 PolarHBondContact O-N 3.43Å; L224-K226 PolarHBondContact O-N 2.92Å; L224-K227 WeakPolarHBondContact O-CB 3.43Å; L224-K227 PolarHBondContact O-N 3.41Å; L224-K227 VanDerWaalsContact O-N 3.11Å; L224-I228 HydrophobicContact CD1-CD1 3.78Å; L224-I228 HydrophobicContact CD1-CG1 4.11Å; L224-I228 HydrophobicContact CG-CD1 3.86Å; L224-I228 WeakPolarHBondContact O-CG1 3.4Å; L224-I228 PolarHBondContact O-N 3.26Å
225	F	96.6	Very high	96.5	Very high	62 Å²	62	72.5 Å²	72.5	27%	0.272	37%	0.368	S	S	.	.	H	α-helix	trans	-62.3	-27.8	175	-72.2	-5.3	0	0	0	112.9	P179 I187 V221 T223 R229	P179-F225 HydrophobicContact CB-CE1 4.27Å; I187-F225 HydrophobicContact CB-CD1 4.1Å; I187-F225 HydrophobicContact CB-CE1 4.02Å; I187-F225 HydrophobicContact CB-CG 4.49Å; I187-F225 HydrophobicContact CB-CZ 4.34Å; I187-F225 HydrophobicContact CD1-CB 3.95Å; I187-F225 HydrophobicContact CD1-CD1 3.72Å; I187-F225 HydrophobicContact CD1-CE1 4.45Å; I187-F225 HydrophobicContact CD1-CG 3.96Å; I187-F225 HydrophobicContact CG2-CD1 4.13Å; I187-F225 HydrophobicContact CG2-CE1 3.76Å; I187-F225 HydrophobicContact CG2-CZ 4.33Å; V221-F225 HydrophobicContact CG1-CD1 4.26Å; V221-F225 HydrophobicContact CG1-CD2 4.22Å; V221-F225 HydrophobicContact CG1-CE1 3.93Å; V221-F225 HydrophobicContact CG1-CE2 3.88Å; V221-F225 HydrophobicContact CG1-CG 4.41Å; V221-F225 HydrophobicContact CG1-CZ 3.73Å; V221-F225 WeakPolarHBondContact O-CB 3.36Å; V221-F225 WeakPolarHBondContact O-CG 3.47Å; V221-F225 PolarHBondContact O-N 3.09Å; T223-F225 VanDerWaalsContact C-N 3.34Å; T223-F225 PolarHBondContact O-N 3.18Å; F225-R229 WeakPolarHBondContact O-CB 3.43Å; F225-R229 WeakPolarHBondContact O-CG 3.48Å; F225-R229 PolarHBondContact O-N 2.98Å; F225-R229 PolarHBondContact O-NE 3.38Å; F225-R229 PolarHBondContact O-NH2 3.41Å
226	K	97	Very high	96.4	Very high	156 Å²	156	72.5 Å²	72.5	68%	0.678	37%	0.368	S	S	*	.	H	α-helix	trans	-73.3	-41	172.5	-171	-175.6	177	-173.2	0	111.6	P222 T223 L224 G230	P222-K226 PolarHBondContact O-N 3.02Å; P222-K226 VanDerWaalsContact O-N 3.09Å; T223-K226 CarbonylContact O-C 3.56Å; T223-K226 WeakPolarHBondContact O-CA 3.35Å; T223-K226 WeakPolarHBondContact O-CB 3.38Å; T223-K226 PolarHBondContact O-N 3.12Å; L224-K226 PolarHBondContact O-N 2.92Å; K226-G230 PolarHBondContact O-N 3.16Å
227	K	97.7	Very high	96.2	Very high	86 Å²	86	81.4 Å²	81.4	37%	0.374	41%	0.41	S	S	.	.	H	α-helix	trans	-59.8	-53.8	174.2	-73.9	169.9	166.6	168.1	0	111	F216 D217 D218 T223 L224 R229 G230 G231	F216-K227 HydrophobicContact CD1-CB 4.29Å; D217-K227 WeakPolarHBondContact O-CD 3.22Å; D217-K227 PolarHBondContact O-NZ 3.45Å; D218-K227 HydrophobicContact CB-CD 4.27Å; D218-K227 WeakPolarHBondContact OD2-CE 3.34Å; D218-K227 IonicContact OD2-NZ 3.86Å; D218-K227 PolarHBondContact OD2-NZ 2.86Å; T223-K227 PolarHBondContact O-N 3.47Å; L224-K227 WeakPolarHBondContact O-CB 3.43Å; L224-K227 PolarHBondContact O-N 3.41Å; L224-K227 VanDerWaalsContact O-N 3.11Å; K227-R229 PolarHBondContact O-N 3.09Å; K227-G230 WeakPolarHBondContact O-CA 3.44Å; K227-G230 PolarHBondContact O-N 2.77Å; K227-G231 PolarHBondContact O-N 3.27Å
228	I	97.8	Very high	96.1	Very high	0 Å²	0	82 Å²	82	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-56.9	-49.2	178.9	-66	167.2	0	0	0	111.4	P179 P184 I187 W200 F216 L224 G230 G231	P179-I228 VanDerWaalsContact O-CD1 3.3Å; P179-I228 WeakPolarHBondContact O-CD1 3.48Å; P184-I228 HydrophobicContact CB-CG2 4.4Å; P184-I228 HydrophobicContact CG-CG2 3.95Å; I187-I228 HydrophobicContact CD1-CB 3.7Å; I187-I228 HydrophobicContact CD1-CD1 4.19Å; I187-I228 HydrophobicContact CD1-CG2 3.49Å; I187-I228 VanDerWaalsContact CD1-CG2 3.49Å; I187-I228 HydrophobicContact CG1-CG2 4.25Å; W200-I228 HydrophobicContact CZ2-CG2 3.91Å; F216-I228 HydrophobicContact CB-CG1 3.66Å; F216-I228 HydrophobicContact CD2-CG1 4.22Å; F216-I228 HydrophobicContact CG-CG1 3.93Å; L224-I228 HydrophobicContact CD1-CD1 3.78Å; L224-I228 HydrophobicContact CD1-CG1 4.11Å; L224-I228 HydrophobicContact CG-CD1 3.86Å; L224-I228 WeakPolarHBondContact O-CG1 3.4Å; L224-I228 PolarHBondContact O-N 3.26Å; I228-G230 PolarHBondContact O-N 3.07Å; I228-G231 PolarHBondContact O-N 3.48Å; I228-G231 VanDerWaalsContact O-N 3.17Å
229	R	96.6	Very high	96.1	Very high	131 Å²	131	81 Å²	81	49%	0.494	40%	0.404	S	S	.	.	H	α-helix	trans	-67.1	-19	177	-74.9	175.7	-65.8	162.1	1	114.2	P184 I187 F225 K227	P184-R229 HydrophobicContact CB-CG 4.49Å; I187-R229 HydrophobicContact CD1-CG 4.08Å; F225-R229 WeakPolarHBondContact O-CB 3.43Å; F225-R229 WeakPolarHBondContact O-CG 3.48Å; F225-R229 PolarHBondContact O-N 2.98Å; F225-R229 PolarHBondContact O-NE 3.38Å; F225-R229 PolarHBondContact O-NH2 3.41Å; K227-R229 PolarHBondContact O-N 3.09Å
230	G	96.9	Very high	96	Very high	46 Å²	46	74.2 Å²	74.2	47%	0.474	38%	0.375	S	S	.	.	H	α-helix	trans	-82.4	-26.9	173.1	0	0	0	0	0	113.4	K226 K227 I228 V232	K226-G230 PolarHBondContact O-N 3.16Å; K227-G230 WeakPolarHBondContact O-CA 3.44Å; K227-G230 PolarHBondContact O-N 2.77Å; I228-G230 PolarHBondContact O-N 3.07Å; G230-V232 PolarHBondContact O-N 3.17Å
231	G	96.2	Very high	96	Very high	15 Å²	15	80 Å²	80	16%	0.155	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	3.7	-178.9	0	0	0	0	0	115.4	K227 I228 F233	K227-G231 PolarHBondContact O-N 3.27Å; I228-G231 PolarHBondContact O-N 3.48Å; I228-G231 VanDerWaalsContact O-N 3.17Å; G231-F233 WeakPolarHBondContact O-CD1 3.42Å; G231-F233 PolarHBondContact O-N 2.82Å
232	V	96.7	Very high	96.1	Very high	123 Å²	123	78.5 Å²	78.5	75%	0.745	38%	0.384	S	S	*	.			trans	-88	111.3	-179.1	-177.4	0	0	0	0	109.3	G230	G230-V232 PolarHBondContact O-N 3.17Å
233	F	97.7	Very high	96.3	Very high	32 Å²	32	75 Å²	75	14%	0.14	36%	0.362	C	S	.	.			trans	-120.1	159.5	171	61.9	-80.7	0	0	0	109.9	Y207 P215 F216 G231 I235 L247 M248 L251	Y207-F233 HydrophobicContact CD2-CD2 4.02Å; Y207-F233 HydrophobicContact CD2-CE2 4.25Å; Y207-F233 AromaticContact CE2-CD2 3.84Å; Y207-F233 HydrophobicContact CE2-CD2 3.84Å; Y207-F233 HydrophobicContact CE2-CE2 4.37Å; P215-F233 HydrophobicContact CB-CB 3.76Å; P215-F233 HydrophobicContact CB-CD2 4.29Å; P215-F233 HydrophobicContact CB-CG 4.12Å; P215-F233 WeakPolarHBondContact O-CB 3.17Å; F216-F233 HydrophobicContact CD1-CB 4.48Å; F216-F233 HydrophobicContact CE1-CB 3.91Å; F216-F233 HydrophobicContact CE1-CD1 4.32Å; F216-F233 HydrophobicContact CZ-CB 4.14Å; F216-F233 AromaticContact CZ-CD1 3.88Å; F216-F233 HydrophobicContact CZ-CD1 3.88Å; F216-F233 HydrophobicContact CZ-CG 4.39Å; G231-F233 WeakPolarHBondContact O-CD1 3.42Å; G231-F233 PolarHBondContact O-N 2.82Å; F233-I235 HydrophobicContact CD2-CG1 4.13Å; F233-I235 HydrophobicContact CE2-CD1 4.1Å; F233-I235 HydrophobicContact CE2-CG1 3.72Å; F233-I235 HydrophobicContact CZ-CD1 4.41Å; F233-I235 HydrophobicContact CZ-CG1 4.48Å; F233-L247 HydrophobicContact CE2-CB 4.31Å; F233-L247 HydrophobicContact CZ-CB 4.19Å; F233-M248 HydrophobicContact CZ-CG 4.23Å; F233-L251 HydrophobicContact CD1-CB 4.49Å; F233-L251 HydrophobicContact CD1-CD1 4.09Å; F233-L251 HydrophobicContact CE1-CB 3.83Å; F233-L251 HydrophobicContact CE1-CD1 3.78Å; F233-L251 HydrophobicContact CE1-CG 4.43Å; F233-L251 HydrophobicContact CE2-CD1 4.27Å; F233-L251 HydrophobicContact CG-CD1 4.49Å; F233-L251 HydrophobicContact CZ-CB 4.38Å; F233-L251 HydrophobicContact CZ-CD1 3.88Å
234	Y	97.7	Very high	96.4	Very high	150 Å²	150	72.9 Å²	72.9	59%	0.588	35%	0.35	S	S	*	.			trans	-81	143.1	175.8	175.4	-115.7	0	0	0	110.3	Y207 P236	Y207-Y234 VanDerWaalsContact CE2-O 3.27Å; Y207-Y234 WeakPolarHBondContact CE2-O 3.3Å; Y207-Y234 PolarHBondContact OH-O 3.37Å; Y234-P236 HydrophobicContact CD1-CG 3.9Å; Y234-P236 HydrophobicContact CE1-CB 3.94Å; Y234-P236 HydrophobicContact CE1-CG 3.74Å
235	I	97.3	Very high	96.4	Very high	55 Å²	55	74.7 Å²	74.7	28%	0.282	36%	0.363	S	S	.	.			trans	-114.3	107	172.7	-63.2	179	0	0	0	107.1	F233 L239 A244 M248	F233-I235 HydrophobicContact CD2-CG1 4.13Å; F233-I235 HydrophobicContact CE2-CD1 4.1Å; F233-I235 HydrophobicContact CE2-CG1 3.72Å; F233-I235 HydrophobicContact CZ-CD1 4.41Å; F233-I235 HydrophobicContact CZ-CG1 4.48Å; I235-L239 HydrophobicContact CG2-CB 4.38Å; I235-L239 HydrophobicContact CG2-CD1 4.28Å; I235-A244 HydrophobicContact CD1-CB 4.38Å; I235-A244 HydrophobicContact CG2-CB 3.95Å; I235-M248 HydrophobicContact CD1-CE 4.44Å; I235-M248 HydrophobicContact CD1-CG 3.86Å; I235-M248 HydrophobicContact CD1-SD 3.86Å
236	P	95.5	Very high	96.5	Very high	14 Å²	14	71.8 Å²	71.8	9%	0.091	35%	0.35	C	S	.	.			trans	-62	145.1	179.2	-24.5	33.6	0	0	0	113.5	Y234 H238 L239	Y234-P236 HydrophobicContact CD1-CG 3.9Å; Y234-P236 HydrophobicContact CE1-CB 3.94Å; Y234-P236 HydrophobicContact CE1-CG 3.74Å; P236-H238 WeakPolarHBondContact CB-CE1 3.37Å; P236-H238 WeakPolarHBondContact CB-ND1 3.42Å; P236-H238 PolarHBondContact O-N 3.06Å; P236-L239 HydrophobicContact CB-CG 4.47Å; P236-L239 WeakPolarHBondContact O-CB 3.49Å; P236-L239 PolarHBondContact O-N 3.13Å
237	E	94.3	Very high	96.6	Very high	189 Å²	189	64.4 Å²	64.4	88%	0.883	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-19.1	-177.6	-61.3	-178.5	174	0	0	114.6	L239	E237-L239 VanDerWaalsContact C-N 3.34Å
238	H	94.7	Very high	96.6	Very high	103 Å²	103	64.6 Å²	64.6	48%	0.477	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-9.4	175.9	65.4	-95.3	0	0	0	113.8	R112 P236	R112-H238 WeakPolarHBondContact CD-NE2 3.28Å; P236-H238 WeakPolarHBondContact CB-CE1 3.37Å; P236-H238 WeakPolarHBondContact CB-ND1 3.42Å; P236-H238 PolarHBondContact O-N 3.06Å
239	L	95.3	Very high	96.7	Very high	20 Å²	20	68.2 Å²	68.2	11%	0.105	34%	0.34	C	S	.	.	S	Bend	trans	-79.4	128.9	173	-61	-169.1	0	0	0	110.2	L210 I235 P236 E237 V243 L247	L210-L239 HydrophobicContact CB-CD2 3.88Å; I235-L239 HydrophobicContact CG2-CB 4.38Å; I235-L239 HydrophobicContact CG2-CD1 4.28Å; P236-L239 HydrophobicContact CB-CG 4.47Å; P236-L239 WeakPolarHBondContact O-CB 3.49Å; P236-L239 PolarHBondContact O-N 3.13Å; E237-L239 VanDerWaalsContact C-N 3.34Å; L239-V243 HydrophobicContact CB-CG1 4.13Å; L239-V243 HydrophobicContact CD2-CG1 4.5Å; L239-L247 HydrophobicContact CD1-CD1 4.07Å
240	N	91.8	Very high	96.8	Very high	63 Å²	63	62 Å²	62	34%	0.337	32%	0.317	S	S	.	.			trans	-66.8	153.2	174.9	71.8	73.4	0	0	0	111	D115 S242 V243 A244	D115-N240 PolarHBondContact OD1-ND2 2.8Å; N240-S242 PolarHBondContact O-N 3.15Å; N240-S242 VanDerWaalsContact O-N 3.11Å; N240-S242 WeakPolarHBondContact OD1-CA 3.23Å; N240-S242 VanDerWaalsContact OD1-CB 3.31Å; N240-S242 WeakPolarHBondContact OD1-CB 3.5Å; N240-S242 PolarHBondContact OD1-N 3.18Å; N240-V243 PolarHBondContact O-N 3.31Å; N240-V243 PolarHBondContact OD1-N 3.44Å; N240-A244 WeakPolarHBondContact O-CB 3.48Å; N240-A244 PolarHBondContact O-N 3.14Å; N240-A244 VanDerWaalsContact O-N 3.09Å
241	R	95.3	Very high	96.8	Very high	234 Å²	234	60 Å²	60	88%	0.883	30%	0.295	S	S	*	.	H	α-helix	trans	-60.8	-24.4	-176	-68.2	-174.9	-178.4	176.4	1.1	114.1	S245	R241-S245 PolarHBondContact O-N 2.71Å; R241-S245 PolarHBondContact O-OG 3.39Å
242	S	96.8	Very high	97	Very high	38 Å²	38	62.6 Å²	62.6	27%	0.266	30%	0.303	S	S	.	.	H	α-helix	trans	-76.9	-47.8	-178.6	-160.8	0	0	0	0	111.2	N240 A244 S245 L246 H267	N240-S242 PolarHBondContact O-N 3.15Å; N240-S242 VanDerWaalsContact O-N 3.11Å; N240-S242 WeakPolarHBondContact OD1-CA 3.23Å; N240-S242 VanDerWaalsContact OD1-CB 3.31Å; N240-S242 WeakPolarHBondContact OD1-CB 3.5Å; N240-S242 PolarHBondContact OD1-N 3.18Å; S242-A244 VanDerWaalsContact C-N 3.26Å; S242-A244 PolarHBondContact O-N 2.86Å; S242-S245 PolarHBondContact O-N 3.39Å; S242-S245 PolarHBondContact O-OG 3.04Å; S242-L246 PolarHBondContact O-N 3.28Å; S242-L246 VanDerWaalsContact O-N 3.09Å; S242-H267 PolarHBondContact O-CE1 2.92Å; S242-H267 PolarHBondContact OG-CE1 3.34Å
243	V	97.3	Very high	97	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.006	28%	0.283	C	S	.	.	H	α-helix	trans	-67.4	-31.3	174.5	79.6	0	0	0	0	111.8	L206 L210 L239 N240 L246 L247 W269	L206-V243 HydrophobicContact CD2-CG2 4.37Å; L210-V243 HydrophobicContact CD1-CB 4.46Å; L210-V243 HydrophobicContact CD1-CG1 4.22Å; L210-V243 HydrophobicContact CD1-CG2 3.41Å; L210-V243 VanDerWaalsContact CD1-CG2 3.41Å; L239-V243 HydrophobicContact CB-CG1 4.13Å; L239-V243 HydrophobicContact CD2-CG1 4.5Å; N240-V243 PolarHBondContact O-N 3.31Å; N240-V243 PolarHBondContact OD1-N 3.44Å; V243-L246 PolarHBondContact O-N 3.42Å; V243-L247 WeakPolarHBondContact O-CB 3.31Å; V243-L247 WeakPolarHBondContact O-CG 3.46Å; V243-L247 PolarHBondContact O-N 2.81Å; V243-W269 HydrophobicContact CB-CD2 3.97Å; V243-W269 HydrophobicContact CB-CG 3.96Å; V243-W269 HydrophobicContact CB-CZ2 4.44Å; V243-W269 HydrophobicContact CG2-CD2 3.65Å; V243-W269 VanDerWaalsContact CG2-CE2 3.49Å; V243-W269 HydrophobicContact CG2-CE3 4Å; V243-W269 HydrophobicContact CG2-CG 4.19Å; V243-W269 HydrophobicContact CG2-CH2 4.03Å; V243-W269 HydrophobicContact CG2-CZ2 3.7Å; V243-W269 HydrophobicContact CG2-CZ3 4.17Å
244	A	97.8	Very high	97	Very high	9 Å²	9	60.3 Å²	60.3	7%	0.074	29%	0.29	C	S	.	.	H	α-helix	trans	-62.8	-42	171.1	0	0	0	0	0	112.8	I235 N240 S242 L247 M248	I235-A244 HydrophobicContact CD1-CB 4.38Å; I235-A244 HydrophobicContact CG2-CB 3.95Å; N240-A244 WeakPolarHBondContact O-CB 3.48Å; N240-A244 PolarHBondContact O-N 3.14Å; N240-A244 VanDerWaalsContact O-N 3.09Å; S242-A244 VanDerWaalsContact C-N 3.26Å; S242-A244 PolarHBondContact O-N 2.86Å; A244-L247 PolarHBondContact O-N 3.35Å; A244-M248 WeakPolarHBondContact O-CE 3.27Å; A244-M248 WeakPolarHBondContact O-CG 3.33Å; A244-M248 PolarHBondContact O-N 3.07Å
245	S	98.1	Very high	96.9	Very high	42 Å²	42	55.4 Å²	55.4	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-66	-40.3	174.9	53.1	0	0	0	0	112.3	R241 S242 M248 L249 H267	R241-S245 PolarHBondContact O-N 2.71Å; R241-S245 PolarHBondContact O-OG 3.39Å; S242-S245 PolarHBondContact O-N 3.39Å; S242-S245 PolarHBondContact O-OG 3.04Å; S245-M248 PolarHBondContact O-N 3.28Å; S245-L249 VanDerWaalsContact O-CG 3.3Å; S245-L249 WeakPolarHBondContact O-CG 3.27Å; S245-L249 PolarHBondContact O-N 3.16Å; S245-H267 PolarHBondContact OG-NE2 3.09Å
246	L	98.6	Very high	96.8	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-60	-47.5	175	-176.8	57.3	0	0	0	111.9	F122 L206 S242 V243 M248 L249 M250 I264 H267 W269	F122-L246 HydrophobicContact CE1-CD2 4.23Å; L206-L246 HydrophobicContact CD2-CD2 3.96Å; L206-L246 HydrophobicContact CD2-CG 4.26Å; S242-L246 PolarHBondContact O-N 3.28Å; S242-L246 VanDerWaalsContact O-N 3.09Å; V243-L246 PolarHBondContact O-N 3.42Å; L246-M248 VanDerWaalsContact C-N 3.34Å; L246-M248 PolarHBondContact O-N 3.11Å; L246-L249 PolarHBondContact O-N 3.16Å; L246-L249 VanDerWaalsContact O-N 3.16Å; L246-M250 HydrophobicContact CD1-CG 4.21Å; L246-M250 HydrophobicContact CD1-SD 4.08Å; L246-M250 HydrophobicContact CG-SD 4.03Å; L246-M250 WeakPolarHBondContact O-CG 3.47Å; L246-M250 PolarHBondContact O-N 3.33Å; L246-I264 HydrophobicContact CD1-CB 4.49Å; L246-I264 HydrophobicContact CD1-CG1 4.1Å; L246-I264 HydrophobicContact CD1-CG2 4.38Å; L246-H267 HydrophobicContact CD1-CB 4.05Å; L246-W269 HydrophobicContact CD2-CE3 3.61Å; L246-W269 HydrophobicContact CD2-CZ3 4.12Å
247	L	98.7	Very high	96.9	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-59	-43	175.5	-75.4	167.7	0	0	0	112.2	G203 L206 Y207 L210 F233 L239 V243 A244 L249 M250 L251	G203-L247 WeakPolarHBondContact O-CD2 3.36Å; L206-L247 HydrophobicContact CB-CD2 4.05Å; L206-L247 HydrophobicContact CD2-CD2 3.94Å; L206-L247 HydrophobicContact CD2-CG 4.23Å; L206-L247 HydrophobicContact CG-CD2 3.9Å; L206-L247 HydrophobicContact CG-CG 4.46Å; Y207-L247 HydrophobicContact CD2-CD1 4.27Å; L210-L247 HydrophobicContact CD1-CD1 4.34Å; F233-L247 HydrophobicContact CE2-CB 4.31Å; F233-L247 HydrophobicContact CZ-CB 4.19Å; L239-L247 HydrophobicContact CD1-CD1 4.07Å; V243-L247 WeakPolarHBondContact O-CB 3.31Å; V243-L247 WeakPolarHBondContact O-CG 3.46Å; V243-L247 PolarHBondContact O-N 2.81Å; A244-L247 PolarHBondContact O-N 3.35Å; L247-L249 VanDerWaalsContact C-N 3.29Å; L247-L249 PolarHBondContact O-N 3.48Å; L247-M250 PolarHBondContact O-N 3.01Å; L247-L251 WeakPolarHBondContact O-CB 3.37Å; L247-L251 PolarHBondContact O-N 2.81Å
248	M	98.2	Very high	97.1	Very high	90 Å²	90	58 Å²	58	44%	0.443	29%	0.288	S	S	.	.	H	α-helix	trans	-68.2	-23.2	177.3	-72.6	-173.5	-67.4	0	0	113.9	F233 I235 A244 S245 L246 Q252	F233-M248 HydrophobicContact CZ-CG 4.23Å; I235-M248 HydrophobicContact CD1-CE 4.44Å; I235-M248 HydrophobicContact CD1-CG 3.86Å; I235-M248 HydrophobicContact CD1-SD 3.86Å; A244-M248 WeakPolarHBondContact O-CE 3.27Å; A244-M248 WeakPolarHBondContact O-CG 3.33Å; A244-M248 PolarHBondContact O-N 3.07Å; S245-M248 PolarHBondContact O-N 3.28Å; L246-M248 VanDerWaalsContact C-N 3.34Å; L246-M248 PolarHBondContact O-N 3.11Å; M248-Q252 WeakPolarHBondContact O-CG 3.48Å; M248-Q252 PolarHBondContact O-NE2 3.07Å
249	L	98.3	Very high	97.2	Very high	76 Å²	76	53.4 Å²	53.4	40%	0.398	27%	0.268	S	S	.	.	H	α-helix	trans	-82.3	-40.7	173	-68.4	166.1	0	0	0	111.6	S245 L246 L247 R258 A259	S245-L249 VanDerWaalsContact O-CG 3.3Å; S245-L249 WeakPolarHBondContact O-CG 3.27Å; S245-L249 PolarHBondContact O-N 3.16Å; L246-L249 PolarHBondContact O-N 3.16Å; L246-L249 VanDerWaalsContact O-N 3.16Å; L247-L249 VanDerWaalsContact C-N 3.29Å; L247-L249 PolarHBondContact O-N 3.48Å; L249-R258 WeakPolarHBondContact O-CA 3.48Å; L249-A259 HydrophobicContact CB-CB 4.09Å; L249-A259 PolarHBondContact O-N 2.8Å
250	M	98.8	Very high	97.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-72.4	-32	178.9	-68.8	-179.4	74.8	0	0	113.6	F122 I126 I199 C202 G203 L206 L246 L247 R258 A259 I264	F122-M250 HydrophobicContact CE1-SD 4.47Å; F122-M250 HydrophobicContact CE2-CE 3.99Å; F122-M250 HydrophobicContact CE2-SD 4.45Å; F122-M250 HydrophobicContact CZ-CE 3.57Å; F122-M250 HydrophobicContact CZ-SD 3.67Å; I126-M250 HydrophobicContact CD1-CE 4.37Å; I199-M250 HydrophobicContact CG2-CB 4.36Å; I199-M250 HydrophobicContact CG2-CE 3.93Å; I199-M250 HydrophobicContact CG2-CG 4.16Å; I199-M250 WeakPolarHBondContact O-CE 3.25Å; C202-M250 HydrophobicContact CB-CE 3.63Å; G203-M250 VanDerWaalsContact N-CE 3.27Å; L206-M250 HydrophobicContact CD2-SD 4.29Å; L246-M250 HydrophobicContact CD1-CG 4.21Å; L246-M250 HydrophobicContact CD1-SD 4.08Å; L246-M250 HydrophobicContact CG-SD 4.03Å; L246-M250 WeakPolarHBondContact O-CG 3.47Å; L246-M250 PolarHBondContact O-N 3.33Å; L247-M250 PolarHBondContact O-N 3.01Å; M250-R258 VanDerWaalsContact O-CD 3.31Å; M250-R258 WeakPolarHBondContact O-CD 3.49Å; M250-R258 WeakPolarHBondContact O-CG 3.45Å; M250-A259 HydrophobicContact CG-CB 4.05Å; M250-I264 HydrophobicContact CE-CD1 3.79Å; M250-I264 HydrophobicContact CG-CD1 4.1Å; M250-I264 HydrophobicContact CG-CG1 4.2Å; M250-I264 HydrophobicContact SD-CD1 4.03Å; M250-I264 HydrophobicContact SD-CG1 4.28Å
251	L	98.7	Very high	97.6	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.021	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	29.5	-179.2	-60.3	178.6	0	0	0	113.1	W200 V204 P215 F216 F233 L247 V253	W200-L251 HydrophobicContact CD2-CD2 3.91Å; W200-L251 HydrophobicContact CE3-CD2 4.13Å; W200-L251 HydrophobicContact CG-CD2 4.3Å; W200-L251 HydrophobicContact CZ2-CD2 4.41Å; W200-L251 VanDerWaalsContact CZ3-C 3.48Å; W200-L251 HydrophobicContact CZ3-CB 4.26Å; W200-L251 HydrophobicContact CZ3-CD2 4.48Å; W200-L251 VanDerWaalsContact CZ3-O 3.25Å; W200-L251 WeakPolarHBondContact CZ3-O 3.31Å; V204-L251 HydrophobicContact CG2-CD2 3.93Å; P215-L251 HydrophobicContact CB-CD1 4.43Å; P215-L251 HydrophobicContact CG-CD1 4.39Å; F216-L251 HydrophobicContact CE2-CD1 4.36Å; F233-L251 HydrophobicContact CD1-CB 4.49Å; F233-L251 HydrophobicContact CD1-CD1 4.09Å; F233-L251 HydrophobicContact CE1-CB 3.83Å; F233-L251 HydrophobicContact CE1-CD1 3.78Å; F233-L251 HydrophobicContact CE1-CG 4.43Å; F233-L251 HydrophobicContact CE2-CD1 4.27Å; F233-L251 HydrophobicContact CG-CD1 4.49Å; F233-L251 HydrophobicContact CZ-CB 4.38Å; F233-L251 HydrophobicContact CZ-CD1 3.88Å; L247-L251 WeakPolarHBondContact O-CB 3.37Å; L247-L251 PolarHBondContact O-N 2.81Å; L251-V253 PolarHBondContact O-N 2.88Å
252	Q	98.6	Very high	97.6	Very high	71 Å²	71	49 Å²	49	33%	0.332	26%	0.258	S	S	.	.			trans	-67.8	129.6	169	-75.4	-62.2	-41.1	0	0	111.7	M248 D254 K257 R258	M248-Q252 WeakPolarHBondContact O-CG 3.48Å; M248-Q252 PolarHBondContact O-NE2 3.07Å; Q252-D254 VanDerWaalsContact C-N 3.3Å; Q252-K257 HydrophobicContact CG-CB 4.45Å; Q252-R258 HydrophobicContact CB-CB 4.1Å; Q252-R258 HydrophobicContact CB-CG 4.38Å; Q252-R258 PolarHBondContact O-NE 2.79Å; Q252-R258 PolarHBondContact O-NH2 2.97Å; Q252-R258 VanDerWaalsContact O-NH2 3.1Å
253	V	98.1	Very high	97.6	Very high	51 Å²	51	50.8 Å²	50.8	31%	0.309	27%	0.265	S	S	.	.	S	Bend	trans	-69.8	-29.9	176.4	178.2	0	0	0	0	111.8	P184 W200 L251 P255	P184-V253 HydrophobicContact CB-CG1 4.06Å; P184-V253 HydrophobicContact CG-CB 4.45Å; P184-V253 HydrophobicContact CG-CG1 4.13Å; P184-V253 HydrophobicContact CG-CG2 4.33Å; W200-V253 HydrophobicContact CH2-CG2 4.45Å; W200-V253 HydrophobicContact CZ3-CG2 4.43Å; L251-V253 PolarHBondContact O-N 2.88Å; V253-P255 WeakPolarHBondContact O-CD 3.3Å
254	D	96.4	Very high	97.6	Very high	56 Å²	56	50.7 Å²	50.7	30%	0.299	26%	0.264	S	S	.	.	S	Bend	trans	-82.6	110.1	172.4	-173.8	-12.4	0	0	0	109.5	Q252 L256 K257 R258	Q252-D254 VanDerWaalsContact C-N 3.3Å; D254-L256 PolarHBondContact O-N 3.12Å; D254-L256 PolarHBondContact OD1-N 3.42Å; D254-L256 VanDerWaalsContact OD1-N 3.09Å; D254-K257 HydrophobicContact CB-CB 4.29Å; D254-K257 HydrophobicContact CB-CD 4.47Å; D254-K257 HydrophobicContact CB-CG 4.22Å; D254-K257 PolarHBondContact O-N 2.95Å; D254-K257 IonicContact OD2-NZ 2.66Å; D254-K257 PolarHBondContact OD2-NZ 3.29Å; D254-R258 PolarHBondContact O-N 3.02Å
255	P	96.7	Very high	97.5	Very high	47 Å²	47	54.1 Å²	54.1	31%	0.305	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-63.4	-22.8	-177.2	26.6	-34.8	0	0	0	112.8	E196 V253 K257 R258	E196-P255 HydrophobicContact CB-CB 4.43Å; E196-P255 HydrophobicContact CG-CB 3.87Å; V253-P255 WeakPolarHBondContact O-CD 3.3Å; P255-K257 PolarHBondContact O-N 3.32Å; P255-R258 PolarHBondContact O-N 2.98Å
256	L	94.8	Very high	97.4	Very high	165 Å²	165	57 Å²	57	86%	0.864	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-79.9	-5.4	176.8	-58.3	179.2	0	0	0	113.3	D254	D254-L256 PolarHBondContact O-N 3.12Å; D254-L256 PolarHBondContact OD1-N 3.42Å; D254-L256 VanDerWaalsContact OD1-N 3.09Å
257	K	97	Very high	97.4	Very high	136 Å²	136	58.1 Å²	58.1	59%	0.591	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-116.8	-1.4	172.7	-57.8	-168.9	-176	86.6	0	112.9	Q252 D254 P255	Q252-K257 HydrophobicContact CG-CB 4.45Å; D254-K257 HydrophobicContact CB-CB 4.29Å; D254-K257 HydrophobicContact CB-CD 4.47Å; D254-K257 HydrophobicContact CB-CG 4.22Å; D254-K257 PolarHBondContact O-N 2.95Å; D254-K257 IonicContact OD2-NZ 2.66Å; D254-K257 PolarHBondContact OD2-NZ 3.29Å; P255-K257 PolarHBondContact O-N 3.32Å
258	R	98.6	Very high	97.3	Very high	11 Å²	11	64.1 Å²	64.1	4%	0.042	32%	0.317	C	S	.	.	S	Bend	trans	-74.4	142.9	179.2	-162.9	178.8	-60.9	149.6	6.5	109.6	E185 E196 L249 M250 Q252 D254 P255 T260	E185-R258 IonicContact OE1-CZ 3.53Å; E185-R258 IonicContact OE1-NH1 2.79Å; E185-R258 PolarHBondContact OE1-NH1 2.81Å; E185-R258 IonicContact OE1-NH2 2.66Å; E185-R258 PolarHBondContact OE1-NH2 2.87Å; E185-R258 IonicContact OE2-CZ 3.29Å; E185-R258 IonicContact OE2-NH1 2.78Å; E185-R258 IonicContact OE2-NH2 2.65Å; E185-R258 PolarHBondContact OE2-NH2 3.08Å; E196-R258 WeakPolarHBondContact O-CD 3.37Å; E196-R258 PolarHBondContact O-NH1 2.96Å; L249-R258 WeakPolarHBondContact O-CA 3.48Å; M250-R258 VanDerWaalsContact O-CD 3.31Å; M250-R258 WeakPolarHBondContact O-CD 3.49Å; M250-R258 WeakPolarHBondContact O-CG 3.45Å; Q252-R258 HydrophobicContact CB-CB 4.1Å; Q252-R258 HydrophobicContact CB-CG 4.38Å; Q252-R258 PolarHBondContact O-NE 2.79Å; Q252-R258 PolarHBondContact O-NH2 2.97Å; Q252-R258 VanDerWaalsContact O-NH2 3.1Å; D254-R258 PolarHBondContact O-N 3.02Å; P255-R258 PolarHBondContact O-N 2.98Å; R258-T260 PolarHBondContact O-N 3.09Å
259	A	98.3	Very high	97.3	Very high	6 Å²	6	60.3 Å²	60.3	5%	0.05	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-52	136.2	175.1	0	0	0	0	0	111.2	I199 L249 M250 D263 I264	I199-A259 WeakPolarHBondContact CG2-O 3.43Å; L249-A259 HydrophobicContact CB-CB 4.09Å; L249-A259 PolarHBondContact O-N 2.8Å; M250-A259 HydrophobicContact CG-CB 4.05Å; A259-D263 HydrophobicContact CB-CB 4.24Å; A259-I264 HydrophobicContact CB-CD1 4.47Å; A259-I264 HydrophobicContact CB-CG1 4.02Å
260	T	98	Very high	97.3	Very high	72 Å²	72	56.7 Å²	56.7	44%	0.442	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-87	171	161	70.7	0	0	0	0	109.8	R258 K262 D263 I264	R258-T260 PolarHBondContact O-N 3.09Å; T260-K262 PolarHBondContact O-N 3.2Å; T260-K262 PolarHBondContact OG1-N 3.4Å; T260-D263 WeakPolarHBondContact CA-OD2 3.24Å; T260-D263 VanDerWaalsContact CB-OD2 3.28Å; T260-D263 WeakPolarHBondContact CB-OD2 3.47Å; T260-D263 WeakPolarHBondContact CG2-OD2 3.47Å; T260-D263 PolarHBondContact N-OD2 3.31Å; T260-D263 PolarHBondContact O-N 2.79Å; T260-D263 PolarHBondContact OG1-N 3.19Å; T260-D263 PolarHBondContact OG1-OD2 2.9Å; T260-I264 WeakPolarHBondContact O-CG1 3.2Å; T260-I264 PolarHBondContact O-N 2.77Å
261	I	96.4	Very high	97.2	Very high	19 Å²	19	61 Å²	61	10%	0.097	30%	0.298	C	S	.	.	H	α-helix	trans	-59.3	-31.7	171.7	-66.2	-178	0	0	0	111.6	I126 V129 D130 H133 I199 I264 R265	I126-I261 HydrophobicContact CG2-CG2 4.21Å; V129-I261 HydrophobicContact CG1-CD1 4.16Å; D130-I261 VanDerWaalsContact CA-CD1 3.47Å; D130-I261 HydrophobicContact CB-CD1 3.95Å; D130-I261 HydrophobicContact CB-CG2 3.81Å; H133-I261 WeakPolarHBondContact ND1-CD1 3.35Å; I199-I261 HydrophobicContact CD1-CD1 4.16Å; I199-I261 HydrophobicContact CD1-CG1 3.4Å; I199-I261 HydrophobicContact CG1-CG1 4.35Å; I261-I264 PolarHBondContact O-N 3.25Å; I261-R265 HydrophobicContact CG2-CG 4.31Å; I261-R265 WeakPolarHBondContact O-CB 3.28Å; I261-R265 VanDerWaalsContact O-CG 3.3Å; I261-R265 WeakPolarHBondContact O-CG 3.32Å; I261-R265 PolarHBondContact O-N 3.23Å
262	K	94.7	Very high	97	Very high	133 Å²	133	65.1 Å²	65.1	58%	0.578	32%	0.315	S	S	*	.	H	α-helix	trans	-63.4	-49.7	174.3	-176.9	177.8	175.6	177.6	0	111	T260 I264 R265 E266	T260-K262 PolarHBondContact O-N 3.2Å; T260-K262 PolarHBondContact OG1-N 3.4Å; K262-I264 VanDerWaalsContact C-N 3.26Å; K262-I264 PolarHBondContact O-N 2.9Å; K262-R265 PolarHBondContact O-N 3.31Å; K262-E266 WeakPolarHBondContact CE-OE1 3.47Å; K262-E266 HydrophobicContact CG-CG 4.49Å; K262-E266 IonicContact NZ-OE1 2.67Å; K262-E266 WeakPolarHBondContact O-CB 3.46Å; K262-E266 WeakPolarHBondContact O-CG 3.38Å; K262-E266 PolarHBondContact O-N 3.18Å
263	D	97.1	Very high	96.8	Very high	76 Å²	76	68.3 Å²	68.3	41%	0.406	34%	0.335	S	S	.	.	H	α-helix	trans	-61.9	-35.1	179.1	-52	-68.9	0	0	0	111.9	A259 T260 H267	A259-D263 HydrophobicContact CB-CB 4.24Å; T260-D263 WeakPolarHBondContact CA-OD2 3.24Å; T260-D263 VanDerWaalsContact CB-OD2 3.28Å; T260-D263 WeakPolarHBondContact CB-OD2 3.47Å; T260-D263 WeakPolarHBondContact CG2-OD2 3.47Å; T260-D263 PolarHBondContact N-OD2 3.31Å; T260-D263 PolarHBondContact O-N 2.79Å; T260-D263 PolarHBondContact OG1-N 3.19Å; T260-D263 PolarHBondContact OG1-OD2 2.9Å; D263-H267 WeakPolarHBondContact O-CB 3.28Å; D263-H267 PolarHBondContact O-N 3.21Å; D263-H267 VanDerWaalsContact O-N 3.14Å
264	I	98.3	Very high	96.7	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-67.2	-48.5	174.4	-63.4	165.8	0	0	0	110.8	F122 I126 I199 L246 M250 A259 T260 I261 K262 E266 H267 F270	F122-I264 HydrophobicContact CE1-CG2 4.1Å; I126-I264 HydrophobicContact CD1-CD1 4.16Å; I126-I264 HydrophobicContact CG1-CG2 4.36Å; I126-I264 HydrophobicContact CG2-CG2 4.24Å; I199-I264 HydrophobicContact CD1-CD1 3.68Å; I199-I264 HydrophobicContact CG2-CD1 3.89Å; L246-I264 HydrophobicContact CD1-CB 4.49Å; L246-I264 HydrophobicContact CD1-CG1 4.1Å; L246-I264 HydrophobicContact CD1-CG2 4.38Å; M250-I264 HydrophobicContact CE-CD1 3.79Å; M250-I264 HydrophobicContact CG-CD1 4.1Å; M250-I264 HydrophobicContact CG-CG1 4.2Å; M250-I264 HydrophobicContact SD-CD1 4.03Å; M250-I264 HydrophobicContact SD-CG1 4.28Å; A259-I264 HydrophobicContact CB-CD1 4.47Å; A259-I264 HydrophobicContact CB-CG1 4.02Å; T260-I264 WeakPolarHBondContact O-CG1 3.2Å; T260-I264 PolarHBondContact O-N 2.77Å; I261-I264 PolarHBondContact O-N 3.25Å; K262-I264 VanDerWaalsContact C-N 3.26Å; K262-I264 PolarHBondContact O-N 2.9Å; I264-E266 PolarHBondContact O-N 3.12Å; I264-H267 WeakPolarHBondContact O-CB 3.31Å; I264-H267 PolarHBondContact O-N 3.41Å; I264-F270 HydrophobicContact CG2-CB 4.48Å; I264-F270 HydrophobicContact CG2-CD1 4.35Å; I264-F270 HydrophobicContact CG2-CD2 3.61Å; I264-F270 HydrophobicContact CG2-CE2 3.8Å; I264-F270 HydrophobicContact CG2-CG 3.89Å; I264-F270 HydrophobicContact CG2-CZ 4.26Å; I264-F270 VanDerWaalsContact O-CB 3.25Å; I264-F270 WeakPolarHBondContact O-CB 3.1Å; I264-F270 WeakPolarHBondContact O-CG 3.15Å
265	R	95.9	Very high	96.5	Very high	80 Å²	80	67.7 Å²	67.7	30%	0.302	33%	0.332	S	S	.	.	H	α-helix	trans	-62.3	-30.7	177	-74.2	171.3	62.6	178.4	-7.1	112.5	D130 I261 K262 H267 F270 K271 F279	D130-R265 IonicContact OD2-NH1 2.92Å; D130-R265 PolarHBondContact OD2-NH1 3.3Å; I261-R265 HydrophobicContact CG2-CG 4.31Å; I261-R265 WeakPolarHBondContact O-CB 3.28Å; I261-R265 VanDerWaalsContact O-CG 3.3Å; I261-R265 WeakPolarHBondContact O-CG 3.32Å; I261-R265 PolarHBondContact O-N 3.23Å; K262-R265 PolarHBondContact O-N 3.31Å; R265-H267 VanDerWaalsContact C-N 3.35Å; R265-F270 HydrophobicContact CG-CE1 4.11Å; R265-K271 WeakPolarHBondContact O-CG 3.46Å; R265-F279 VanDerWaalsContact CD-CD1 3.45Å; R265-F279 HydrophobicContact CG-CD1 4Å; R265-F279 HydrophobicContact CG-CE1 3.98Å; R265-F279 HydrophobicContact CG-CG 4.29Å; R265-F279 HydrophobicContact CG-CZ 4.31Å
266	E	95.8	Very high	96	Very high	104 Å²	104	68.5 Å²	68.5	49%	0.486	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-8	175.6	-71.6	178.8	-174.2	0	0	113.4	K262 I264 K271	K262-E266 WeakPolarHBondContact CE-OE1 3.47Å; K262-E266 HydrophobicContact CG-CG 4.49Å; K262-E266 IonicContact NZ-OE1 2.67Å; K262-E266 WeakPolarHBondContact O-CB 3.46Å; K262-E266 WeakPolarHBondContact O-CG 3.38Å; K262-E266 PolarHBondContact O-N 3.18Å; I264-E266 PolarHBondContact O-N 3.12Å; E266-K271 VanDerWaalsContact O-CE 3.31Å; E266-K271 WeakPolarHBondContact O-CE 3.03Å; E266-K271 PolarHBondContact O-NZ 2.79Å
267	H	98.1	Very high	95.6	Very high	24 Å²	24	64.9 Å²	64.9	11%	0.111	32%	0.324	C	S	.	.	S	Bend	trans	-81.1	132.3	-178	-167.5	-78.8	0	0	0	113.1	S242 S245 L246 D263 I264 R265 W269 F270 K271	S242-H267 PolarHBondContact O-CE1 2.92Å; S242-H267 PolarHBondContact OG-CE1 3.34Å; S245-H267 PolarHBondContact OG-NE2 3.09Å; L246-H267 HydrophobicContact CD1-CB 4.05Å; D263-H267 WeakPolarHBondContact O-CB 3.28Å; D263-H267 PolarHBondContact O-N 3.21Å; D263-H267 VanDerWaalsContact O-N 3.14Å; I264-H267 WeakPolarHBondContact O-CB 3.31Å; I264-H267 PolarHBondContact O-N 3.41Å; R265-H267 VanDerWaalsContact C-N 3.35Å; H267-W269 PolarHBondContact ND1-N 2.59Å; H267-W269 PolarHBondContact O-N 3.27Å; H267-F270 WeakPolarHBondContact O-CB 3.24Å; H267-F270 PolarHBondContact O-N 2.72Å; H267-K271 PolarHBondContact O-N 2.92Å; H267-K271 VanDerWaalsContact O-N 3.11Å
268	E	96.9	Very high	95.2	Very high	125 Å²	125	58.7 Å²	58.7	58%	0.584	30%	0.297	S	S	*	.	H	α-helix	trans	-59.1	-40.4	-171.7	-62.7	-58	114	0	0	114.6	F270 K271 K272	E268-F270 PolarHBondContact O-N 3.03Å; E268-K271 PolarHBondContact O-N 2.82Å; E268-K271 WeakPolarHBondContact OE1-CD 2.76Å; E268-K271 IonicContact OE1-NZ 3.2Å; E268-K271 PolarHBondContact OE1-NZ 3.3Å; E268-K272 PolarHBondContact O-N 2.69Å
269	W	97.9	Very high	94.6	Very high	10 Å²	10	58.8 Å²	58.8	4%	0.038	30%	0.298	C	S	.	.	H	α-helix	trans	-60.4	-32.5	174.2	-174.7	84.3	0	0	0	113.2	D115 C119 F122 L206 L210 V243 L246 H267 K272	D115-W269 PolarHBondContact OD1-NE1 2.8Å; C119-W269 VanDerWaalsContact CA-CH2 3.43Å; C119-W269 HydrophobicContact CB-CH2 3.58Å; C119-W269 HydrophobicContact CB-CZ2 3.6Å; C119-W269 HydrophobicContact CB-CZ3 4.13Å; C119-W269 PolarHBondContact SG-O 3Å; C119-W269 VanDerWaalsContact SG-O 3.38Å; F122-W269 AromaticContact CD1-CZ3 3.9Å; F122-W269 HydrophobicContact CD1-CZ3 3.9Å; L206-W269 HydrophobicContact CD1-CH2 3.52Å; L206-W269 HydrophobicContact CD1-CZ3 3.78Å; L206-W269 HydrophobicContact CD2-CZ3 4.23Å; L210-W269 HydrophobicContact CD2-CZ2 4.41Å; V243-W269 HydrophobicContact CB-CD2 3.97Å; V243-W269 HydrophobicContact CB-CG 3.96Å; V243-W269 HydrophobicContact CB-CZ2 4.44Å; V243-W269 HydrophobicContact CG2-CD2 3.65Å; V243-W269 VanDerWaalsContact CG2-CE2 3.49Å; V243-W269 HydrophobicContact CG2-CE3 4Å; V243-W269 HydrophobicContact CG2-CG 4.19Å; V243-W269 HydrophobicContact CG2-CH2 4.03Å; V243-W269 HydrophobicContact CG2-CZ2 3.7Å; V243-W269 HydrophobicContact CG2-CZ3 4.17Å; L246-W269 HydrophobicContact CD2-CE3 3.61Å; L246-W269 HydrophobicContact CD2-CZ3 4.12Å; H267-W269 PolarHBondContact ND1-N 2.59Å; H267-W269 PolarHBondContact O-N 3.27Å; W269-K272 WeakPolarHBondContact O-CB 3.12Å
270	F	97.9	Very high	93.4	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-82.4	-34.4	-176.9	-173.3	-90.8	0	0	0	112.7	F122 Q123 I126 I264 R265 H267 E268 K272 L274 F279	F122-F270 AromaticContact CD1-CD2 3.67Å; F122-F270 HydrophobicContact CD1-CD2 3.67Å; F122-F270 AromaticContact CD1-CE2 3.66Å; F122-F270 HydrophobicContact CD1-CE2 3.66Å; F122-F270 AromaticContact CE1-CD2 3.62Å; F122-F270 HydrophobicContact CE1-CD2 3.62Å; F122-F270 AromaticContact CE1-CE2 3.69Å; F122-F270 HydrophobicContact CE1-CE2 3.69Å; Q123-F270 HydrophobicContact CB-CE2 4.29Å; Q123-F270 HydrophobicContact CB-CZ 4.22Å; Q123-F270 HydrophobicContact CG-CD2 4.22Å; Q123-F270 HydrophobicContact CG-CE1 4.42Å; Q123-F270 HydrophobicContact CG-CE2 3.9Å; Q123-F270 HydrophobicContact CG-CZ 4Å; Q123-F270 PolarHBondContact NE2-O 3.04Å; I126-F270 HydrophobicContact CB-CE2 3.92Å; I126-F270 HydrophobicContact CB-CZ 3.89Å; I126-F270 HydrophobicContact CG1-CE2 3.93Å; I126-F270 HydrophobicContact CG1-CZ 4.41Å; I126-F270 HydrophobicContact CG2-CE2 4.24Å; I126-F270 HydrophobicContact CG2-CZ 3.93Å; I264-F270 HydrophobicContact CG2-CB 4.48Å; I264-F270 HydrophobicContact CG2-CD1 4.35Å; I264-F270 HydrophobicContact CG2-CD2 3.61Å; I264-F270 HydrophobicContact CG2-CE2 3.8Å; I264-F270 HydrophobicContact CG2-CG 3.89Å; I264-F270 HydrophobicContact CG2-CZ 4.26Å; I264-F270 VanDerWaalsContact O-CB 3.25Å; I264-F270 WeakPolarHBondContact O-CB 3.1Å; I264-F270 WeakPolarHBondContact O-CG 3.15Å; R265-F270 HydrophobicContact CG-CE1 4.11Å; H267-F270 WeakPolarHBondContact O-CB 3.24Å; H267-F270 PolarHBondContact O-N 2.72Å; E268-F270 PolarHBondContact O-N 3.03Å; F270-K272 PolarHBondContact O-N 3.34Å; F270-L274 HydrophobicContact CD1-CD2 4.43Å; F270-L274 HydrophobicContact CE1-CD1 4.09Å; F270-L274 HydrophobicContact CE1-CD2 4.29Å; F270-F279 HydrophobicContact CE1-CD2 4.25Å; F270-F279 AromaticContact CE1-CE2 3.53Å; F270-F279 HydrophobicContact CE1-CE2 3.53Å; F270-F279 AromaticContact CE1-CZ 3.9Å; F270-F279 HydrophobicContact CE1-CZ 3.9Å; F270-F279 AromaticContact CZ-CE2 3.51Å; F270-F279 HydrophobicContact CZ-CE2 3.51Å; F270-F279 AromaticContact CZ-CZ 3.61Å; F270-F279 HydrophobicContact CZ-CZ 3.61Å
271	K	96.2	Very high	91.5	Very high	91 Å²	91	65.1 Å²	65.1	40%	0.396	32%	0.323	S	S	.	.	H	α-helix	trans	-64.4	-25.4	174.4	-73.7	164.3	166	158.2	0	113.7	R265 E266 H267 E268 D273 L274	R265-K271 WeakPolarHBondContact O-CG 3.46Å; E266-K271 VanDerWaalsContact O-CE 3.31Å; E266-K271 WeakPolarHBondContact O-CE 3.03Å; E266-K271 PolarHBondContact O-NZ 2.79Å; H267-K271 PolarHBondContact O-N 2.92Å; H267-K271 VanDerWaalsContact O-N 3.11Å; E268-K271 PolarHBondContact O-N 2.82Å; E268-K271 WeakPolarHBondContact OE1-CD 2.76Å; E268-K271 IonicContact OE1-NZ 3.2Å; E268-K271 PolarHBondContact OE1-NZ 3.3Å; K271-D273 PolarHBondContact O-N 2.79Å; K271-L274 VanDerWaalsContact O-CB 3.23Å; K271-L274 WeakPolarHBondContact O-CB 3.37Å; K271-L274 PolarHBondContact O-N 3.05Å
272	K	94.6	Very high	89.4	Confident	90 Å²	90	65.8 Å²	65.8	39%	0.391	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	122.6	-177.4	-173	-162.2	169.5	-162.4	0	110.6	D115 Q123 E268 W269 F270 L274	D115-K272 IonicContact OD2-NZ 2.7Å; D115-K272 PolarHBondContact OD2-NZ 3.2Å; Q123-K272 PolarHBondContact NE2-O 3.1Å; E268-K272 PolarHBondContact O-N 2.69Å; W269-K272 WeakPolarHBondContact O-CB 3.12Å; F270-K272 PolarHBondContact O-N 3.34Å; K272-L274 PolarHBondContact O-N 3.2Å
273	D	94.9	Very high	87.2	Confident	139 Å²	139	62.8 Å²	62.8	74%	0.743	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	20.4	178.7	-50.7	-45.6	0	0	0	114.8	K271 P275	K271-D273 PolarHBondContact O-N 2.79Å; D273-P275 VanDerWaalsContact O-CD 3.23Å; D273-P275 WeakPolarHBondContact O-CD 3.35Å
274	L	95	Very high	84.6	Confident	53 Å²	53	61.3 Å²	61.3	28%	0.277	32%	0.317	S	S	.	.			trans	-65.2	117.6	-171.3	179.6	65.1	0	0	0	112.8	Q123 F270 K271 K272 G276 L278 F279	Q123-L274 HydrophobicContact CB-CD1 4Å; Q123-L274 HydrophobicContact CG-CD1 3.66Å; F270-L274 HydrophobicContact CD1-CD2 4.43Å; F270-L274 HydrophobicContact CE1-CD1 4.09Å; F270-L274 HydrophobicContact CE1-CD2 4.29Å; K271-L274 VanDerWaalsContact O-CB 3.23Å; K271-L274 WeakPolarHBondContact O-CB 3.37Å; K271-L274 PolarHBondContact O-N 3.05Å; K272-L274 PolarHBondContact O-N 3.2Å; L274-G276 PolarHBondContact O-N 3.36Å; L274-L278 HydrophobicContact CD1-CD1 4.21Å; L274-F279 HydrophobicContact CD1-CD2 3.96Å; L274-F279 HydrophobicContact CD1-CE2 3.97Å; L274-F279 HydrophobicContact CD2-CD2 4.19Å
275	P	92.4	Very high	82.1	Confident	41 Å²	41	68.3 Å²	68.3	27%	0.266	35%	0.345	S	S	.	.			trans	-70.4	124.8	176.5	-20.5	33.8	0	0	0	112.7	D273 Y277 L278	D273-P275 VanDerWaalsContact O-CD 3.23Å; D273-P275 WeakPolarHBondContact O-CD 3.35Å; P275-Y277 HydrophobicContact CB-CD1 3.57Å; P275-Y277 HydrophobicContact CB-CE1 3.36Å; P275-Y277 HydrophobicContact CG-CE1 4.13Å; P275-Y277 PolarHBondContact O-N 3.34Å; P275-L278 HydrophobicContact CB-CD1 4.46Å; P275-L278 HydrophobicContact CB-CG 4.41Å; P275-L278 HydrophobicContact CG-CD1 4.28Å; P275-L278 WeakPolarHBondContact O-CB 3.01Å; P275-L278 PolarHBondContact O-N 3.21Å
276	G	86.5	Confident	79.7	Confident	63 Å²	63	66.2 Å²	66.2	65%	0.649	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-19.3	-176.2	0	0	0	0	0	116.1	L274 L278	L274-G276 PolarHBondContact O-N 3.36Å; G276-L278 VanDerWaalsContact C-N 3.26Å; G276-L278 PolarHBondContact O-N 3.04Å
277	Y	86.1	Confident	77.2	Confident	90 Å²	90	64.4 Å²	64.4	35%	0.353	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-16	175.8	78.3	-94	0	0	0	113.9	P76 H77 P275	P76-Y277 HydrophobicContact CG-CE2 4.48Å; H77-Y277 AromaticContact NE2-CE2 3.61Å; P275-Y277 HydrophobicContact CB-CD1 3.57Å; P275-Y277 HydrophobicContact CB-CE1 3.36Å; P275-Y277 HydrophobicContact CG-CE1 4.13Å; P275-Y277 PolarHBondContact O-N 3.34Å
278	L	88.6	Confident	74.9	Confident	5 Å²	5	66.8 Å²	66.8	3%	0.026	36%	0.359	C	S	.	.	S	Bend	trans	-79.5	-29.8	-178.5	-69.2	-177.9	0	0	0	113.1	H77 Q123 Q124 S127 L274 P275 G276	H77-L278 VanDerWaalsContact CD2-CD2 3.47Å; H77-L278 WeakPolarHBondContact CD2-CD2 3.43Å; H77-L278 WeakPolarHBondContact NE2-CD2 3.41Å; Q123-L278 HydrophobicContact CB-CD1 3.68Å; Q124-L278 HydrophobicContact CG-CD1 4.29Å; Q124-L278 HydrophobicContact CG-CD2 4.1Å; S127-L278 WeakPolarHBondContact CB-O 3.49Å; S127-L278 WeakPolarHBondContact OG-CA 3.45Å; S127-L278 PolarHBondContact OG-O 3.48Å; L274-L278 HydrophobicContact CD1-CD1 4.21Å; P275-L278 HydrophobicContact CB-CD1 4.46Å; P275-L278 HydrophobicContact CB-CG 4.41Å; P275-L278 HydrophobicContact CG-CD1 4.28Å; P275-L278 WeakPolarHBondContact O-CB 3.01Å; P275-L278 PolarHBondContact O-N 3.21Å; G276-L278 VanDerWaalsContact C-N 3.26Å; G276-L278 PolarHBondContact O-N 3.04Å
279	F	87.9	Confident	72.9	Confident	13 Å²	13	61.8 Å²	61.8	6%	0.057	34%	0.336	C	S	.	.	S	Bend	trans	-138.9	66.9	179.9	-60.4	-78.5	0	0	0	108.9	I126 S127 D130 R265 F270 L274 E281	I126-F279 HydrophobicContact CB-CZ 4.18Å; I126-F279 HydrophobicContact CG2-CE1 4.17Å; I126-F279 HydrophobicContact CG2-CZ 3.83Å; S127-F279 VanDerWaalsContact CA-CZ 3.45Å; S127-F279 VanDerWaalsContact N-CZ 3.33Å; D130-F279 HydrophobicContact CB-CD1 4.5Å; D130-F279 HydrophobicContact CB-CE1 4Å; D130-F279 WeakPolarHBondContact OD2-CD1 3.27Å; R265-F279 VanDerWaalsContact CD-CD1 3.45Å; R265-F279 HydrophobicContact CG-CD1 4Å; R265-F279 HydrophobicContact CG-CE1 3.98Å; R265-F279 HydrophobicContact CG-CG 4.29Å; R265-F279 HydrophobicContact CG-CZ 4.31Å; F270-F279 HydrophobicContact CE1-CD2 4.25Å; F270-F279 AromaticContact CE1-CE2 3.53Å; F270-F279 HydrophobicContact CE1-CE2 3.53Å; F270-F279 AromaticContact CE1-CZ 3.9Å; F270-F279 HydrophobicContact CE1-CZ 3.9Å; F270-F279 AromaticContact CZ-CE2 3.51Å; F270-F279 HydrophobicContact CZ-CE2 3.51Å; F270-F279 AromaticContact CZ-CZ 3.61Å; F270-F279 HydrophobicContact CZ-CZ 3.61Å; L274-F279 HydrophobicContact CD1-CD2 3.96Å; L274-F279 HydrophobicContact CD1-CE2 3.97Å; L274-F279 HydrophobicContact CD2-CD2 4.19Å; F279-E281 PolarHBondContact O-N 3.07Å
280	P	71.1	Confident	71.3	Confident	22 Å²	22	62.7 Å²	62.7	14%	0.143	34%	0.342	C	S	.	.			trans	-55.1	131.7	178.9	25.9	-36	0	0	0	109.6	D282 Y285	P280-D282 PolarHBondContact O-N 3.3Å; P280-Y285 VanDerWaalsContact CB-CB 3.41Å; P280-Y285 HydrophobicContact CB-CD1 4.09Å; P280-Y285 HydrophobicContact CB-CG 3.87Å; P280-Y285 HydrophobicContact CG-CD1 3.95Å; P280-Y285 HydrophobicContact CG-CG 4.15Å
281	E	58.5	Low	69.9	Low	190 Å²	190	65.4 Å²	65.4	89%	0.888	36%	0.356	S	S	*	.	S	Bend	trans	-66.9	-19.7	173.2	-59.9	-176.4	158.5	0	0	111.5	F279	F279-E281 PolarHBondContact O-N 3.07Å
282	D	52.4	Low	68.7	Low	32 Å²	32	66.4 Å²	66.4	17%	0.171	36%	0.362	C	S	.	.	S	Bend	trans	-103.5	115.3	-178.3	-155.7	-43.4	0	0	0	110.1	P280 S284 Y285 R334	P280-D282 PolarHBondContact O-N 3.3Å; D282-S284 PolarHBondContact O-N 3.5Å; D282-S284 VanDerWaalsContact O-N 3.09Å; D282-S284 VanDerWaalsContact OD1-CB 3.28Å; D282-S284 WeakPolarHBondContact OD1-CB 3.28Å; D282-S284 PolarHBondContact OD1-N 3.22Å; D282-S284 PolarHBondContact OD1-OG 3.08Å; D282-Y285 PolarHBondContact O-N 2.89Å; D282-R334 IonicContact OD1-NE 2.61Å; D282-R334 IonicContact OD2-CZ 2.74Å; D282-R334 IonicContact OD2-NE 2.64Å; D282-R334 PolarHBondContact OD2-NE 3.18Å; D282-R334 IonicContact OD2-NH2 3.71Å; D282-R334 PolarHBondContact OD2-NH2 3.03Å
283	P	49.3	Very low	67.8	Low	70 Å²	70	66.8 Å²	66.8	46%	0.455	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-56	-24.4	174	-25.8	35.4	0	0	0	113	Y285 D286	P283-Y285 PolarHBondContact O-N 2.82Å; P283-D286 WeakPolarHBondContact O-CB 3.47Å; P283-D286 PolarHBondContact O-N 3.3Å; P283-D286 VanDerWaalsContact O-N 3.1Å
284	S	42.4	Very low	66.9	Low	46 Å²	46	60.1 Å²	60.1	32%	0.322	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-67.9	-10.8	176.7	71	0	0	0	0	114.4	D282 D286 A287	D282-S284 PolarHBondContact O-N 3.5Å; D282-S284 VanDerWaalsContact O-N 3.09Å; D282-S284 VanDerWaalsContact OD1-CB 3.28Å; D282-S284 WeakPolarHBondContact OD1-CB 3.28Å; D282-S284 PolarHBondContact OD1-N 3.22Å; D282-S284 PolarHBondContact OD1-OG 3.08Å; S284-D286 PolarHBondContact O-N 2.88Å; S284-A287 WeakPolarHBondContact O-CA 3.41Å; S284-A287 WeakPolarHBondContact O-CB 3.28Å; S284-A287 PolarHBondContact O-N 2.85Å
285	Y	45.9	Very low	66.3	Low	147 Å²	147	58 Å²	58	58%	0.576	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-70.3	-18	170.8	-163.1	-96.2	0	0	0	112.3	P280 D282 P283 A287	P280-Y285 VanDerWaalsContact CB-CB 3.41Å; P280-Y285 HydrophobicContact CB-CD1 4.09Å; P280-Y285 HydrophobicContact CB-CG 3.87Å; P280-Y285 HydrophobicContact CG-CD1 3.95Å; P280-Y285 HydrophobicContact CG-CG 4.15Å; D282-Y285 PolarHBondContact O-N 2.89Å; P283-Y285 PolarHBondContact O-N 2.82Å; Y285-A287 PolarHBondContact O-N 3.07Å
286	D	46.3	Very low	65.8	Low	35 Å²	35	61.3 Å²	61.3	19%	0.187	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-71.1	4.5	166	-76	-41.4	0	0	0	112.8	Y131 R134 P283 S284 T288 V289	Y131-D286 WeakPolarHBondContact CD2-OD1 3.33Å; Y131-D286 VanDerWaalsContact CE2-OD1 3.24Å; Y131-D286 WeakPolarHBondContact CE2-OD1 3.49Å; R134-D286 IonicContact NH1-OD2 3.74Å; P283-D286 WeakPolarHBondContact O-CB 3.47Å; P283-D286 PolarHBondContact O-N 3.3Å; P283-D286 VanDerWaalsContact O-N 3.1Å; S284-D286 PolarHBondContact O-N 2.88Å; D286-T288 PolarHBondContact O-N 3.1Å; D286-V289 PolarHBondContact O-N 3.47Å; D286-V289 VanDerWaalsContact O-O 3.08Å
287	A	42.6	Very low	65.7	Low	66 Å²	66	60.8 Å²	60.8	55%	0.545	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-6.4	-177.3	0	0	0	0	0	118.5	S284 Y285 V289	S284-A287 WeakPolarHBondContact O-CA 3.41Å; S284-A287 WeakPolarHBondContact O-CB 3.28Å; S284-A287 PolarHBondContact O-N 2.85Å; Y285-A287 PolarHBondContact O-N 3.07Å; A287-V289 CarbonylContact C-O 3.59Å
288	T	49.2	Very low	65.7	Low	75 Å²	75	56.5 Å²	56.5	46%	0.46	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-23.7	166	66.9	0	0	0	0	112.1	R74 D286	R74-T288 WeakPolarHBondContact CB-OG1 3.3Å; R74-T288 WeakPolarHBondContact CD-O 3.28Å; R74-T288 PolarHBondContact NH1-O 3.37Å; R74-T288 PolarHBondContact O-OG1 2.8Å; D286-T288 PolarHBondContact O-N 3.1Å
289	V	55.1	Low	65.6	Low	19 Å²	19	57.2 Å²	57.2	12%	0.115	30%	0.295	C	S	.	.	S	Bend	trans	-95.3	141.4	161.7	-176.4	0	0	0	0	108.1	L72 R74 Y131 D286 A287	L72-V289 WeakPolarHBondContact O-CG2 3.12Å; R74-V289 HydrophobicContact CB-CG2 3.97Å; R74-V289 HydrophobicContact CG-CG2 4.34Å; Y131-V289 WeakPolarHBondContact OH-CG2 3.5Å; D286-V289 PolarHBondContact O-N 3.47Å; D286-V289 VanDerWaalsContact O-O 3.08Å; A287-V289 CarbonylContact C-O 3.59Å
290	L	64.8	Low	65.5	Low	30 Å²	30	64 Å²	64	16%	0.157	33%	0.327	C	S	.	.			trans	-88.8	130.3	173.1	-58.4	177.6	0	0	0	108	E292 V295 V310 L313 Y326	L290-E292 PolarHBondContact O-N 3.18Å; L290-V295 HydrophobicContact CB-CG2 3.76Å; L290-V295 HydrophobicContact CD1-CG2 4.38Å; L290-V310 HydrophobicContact CD1-CB 4.21Å; L290-V310 HydrophobicContact CD1-CG1 4.32Å; L290-V310 HydrophobicContact CD1-CG2 3.63Å; L290-L313 HydrophobicContact CD1-CD1 4.2Å; L290-L313 HydrophobicContact CD2-CB 4.48Å; L290-L313 HydrophobicContact CD2-CD1 3.78Å; L290-Y326 WeakPolarHBondContact CA-OH 3.12Å; L290-Y326 HydrophobicContact CD2-CE1 4.41Å
291	D	67.4	Low	66.2	Low	56 Å²	56	69.1 Å²	69.1	30%	0.299	35%	0.347	S	S	.	.			trans	-60.7	105.6	173.2	174	-27	0	0	0	107.7	E293 A294 V295 Y326 I330 R333	D291-E293 PolarHBondContact O-N 2.74Å; D291-E293 VanDerWaalsContact O-N 3.17Å; D291-E293 WeakPolarHBondContact OD1-CA 2.99Å; D291-E293 WeakPolarHBondContact OD1-CB 3.28Å; D291-E293 PolarHBondContact OD1-N 3.06Å; D291-A294 HydrophobicContact CB-CB 3.82Å; D291-A294 PolarHBondContact O-N 3.18Å; D291-A294 PolarHBondContact OD1-N 2.74Å; D291-V295 WeakPolarHBondContact O-CG2 3.21Å; D291-V295 PolarHBondContact O-N 3.44Å; D291-Y326 HydrophobicContact CB-CE2 4.37Å; D291-Y326 PolarHBondContact N-OH 3.42Å; D291-I330 HydrophobicContact CB-CD1 3.8Å; D291-R333 IonicContact OD1-NH1 2.66Å; D291-R333 PolarHBondContact OD1-NH1 3.04Å; D291-R333 IonicContact OD2-CZ 3.49Å; D291-R333 IonicContact OD2-NH1 3.63Å; D291-R333 PolarHBondContact OD2-NH1 3.46Å
292	E	71.1	Confident	67.5	Low	112 Å²	112	64.7 Å²	64.7	52%	0.523	33%	0.325	S	S	.	.	H	α-helix	trans	-59.5	-28.5	-174.9	-67.1	-172.6	174.3	0	0	112	L72 L290 R296	L72-E292 WeakPolarHBondContact CD1-OE1 3.45Å; L290-E292 PolarHBondContact O-N 3.18Å; E292-R296 VanDerWaalsContact O-CB 3.23Å; E292-R296 WeakPolarHBondContact O-CB 3.27Å; E292-R296 PolarHBondContact O-N 3.19Å
293	E	76.5	Confident	69.2	Low	98 Å²	98	72.3 Å²	72.3	46%	0.458	36%	0.36	S	S	.	.	H	α-helix	trans	-78.2	-33.8	177.5	-158.4	66.3	-136.2	0	0	111	D291 R296 E297 R333	D291-E293 PolarHBondContact O-N 2.74Å; D291-E293 VanDerWaalsContact O-N 3.17Å; D291-E293 WeakPolarHBondContact OD1-CA 2.99Å; D291-E293 WeakPolarHBondContact OD1-CB 3.28Å; D291-E293 PolarHBondContact OD1-N 3.06Å; E293-R296 IonicContact OE1-CZ 2.63Å; E293-R296 IonicContact OE1-NH1 3.59Å; E293-R296 PolarHBondContact OE1-NH1 3.19Å; E293-R296 IonicContact OE2-CZ 3.84Å; E293-R296 VanDerWaalsContact OE2-CZ 3.31Å; E293-R296 IonicContact OE2-NH1 3.61Å; E293-R296 PolarHBondContact OE2-NH1 2.97Å; E293-R296 IonicContact OE2-NH2 2.8Å; E293-R296 PolarHBondContact OE2-NH2 2.91Å; E293-E297 WeakPolarHBondContact O-CB 3.43Å; E293-E297 PolarHBondContact O-N 3.09Å; E293-R333 VanDerWaalsContact C-NH2 3.3Å; E293-R333 PolarHBondContact O-NH2 3.32Å
294	A	76.7	Confident	71	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-74.1	-38.4	173.1	0	0	0	0	0	111.7	D291 E297 V298 Y326 I329 I330	D291-A294 HydrophobicContact CB-CB 3.82Å; D291-A294 PolarHBondContact O-N 3.18Å; D291-A294 PolarHBondContact OD1-N 2.74Å; A294-E297 PolarHBondContact O-N 2.97Å; A294-V298 WeakPolarHBondContact O-CG2 3.33Å; A294-V298 PolarHBondContact O-N 2.69Å; A294-Y326 HydrophobicContact CB-CD2 3.95Å; A294-Y326 HydrophobicContact CB-CE2 3.76Å; A294-I329 HydrophobicContact CB-CB 4.49Å; A294-I329 HydrophobicContact CB-CG2 3.7Å; A294-I330 HydrophobicContact CB-CD1 3.89Å
295	V	80.9	Confident	73.1	Confident	8 Å²	8	71.5 Å²	71.5	5%	0.048	35%	0.353	C	S	.	.	H	α-helix	trans	-61.1	-47.6	171.6	173	0	0	0	0	109.9	L290 D291 E297 V298 C299 E306 V309 Y326	L290-V295 HydrophobicContact CB-CG2 3.76Å; L290-V295 HydrophobicContact CD1-CG2 4.38Å; D291-V295 WeakPolarHBondContact O-CG2 3.21Å; D291-V295 PolarHBondContact O-N 3.44Å; V295-E297 VanDerWaalsContact C-N 3.33Å; V295-E297 PolarHBondContact O-N 2.89Å; V295-V298 PolarHBondContact O-N 2.58Å; V295-V298 VanDerWaalsContact O-N 3.17Å; V295-C299 PolarHBondContact O-N 2.94Å; V295-C299 PolarHBondContact O-SG 3.03Å; V295-E306 HydrophobicContact CG1-CB 4.24Å; V295-E306 HydrophobicContact CG1-CG 4.17Å; V295-V309 HydrophobicContact CG1-CB 4.3Å; V295-V309 HydrophobicContact CG1-CG1 4.26Å; V295-V309 HydrophobicContact CG2-CG1 4.37Å; V295-Y326 HydrophobicContact CG2-CD2 4.1Å; V295-Y326 HydrophobicContact CG2-CE2 3.85Å
296	R	83.3	Confident	74.7	Confident	111 Å²	111	70.6 Å²	70.6	42%	0.419	35%	0.353	S	S	.	.	H	α-helix	trans	-62.4	-39.5	177.5	-161.3	-174.5	-46.7	128	16.9	112.2	E292 E293 V298 C299 E300	E292-R296 VanDerWaalsContact O-CB 3.23Å; E292-R296 WeakPolarHBondContact O-CB 3.27Å; E292-R296 PolarHBondContact O-N 3.19Å; E293-R296 IonicContact OE1-CZ 2.63Å; E293-R296 IonicContact OE1-NH1 3.59Å; E293-R296 PolarHBondContact OE1-NH1 3.19Å; E293-R296 IonicContact OE2-CZ 3.84Å; E293-R296 VanDerWaalsContact OE2-CZ 3.31Å; E293-R296 IonicContact OE2-NH1 3.61Å; E293-R296 PolarHBondContact OE2-NH1 2.97Å; E293-R296 IonicContact OE2-NH2 2.8Å; E293-R296 PolarHBondContact OE2-NH2 2.91Å; R296-V298 PolarHBondContact O-N 3.18Å; R296-C299 PolarHBondContact O-N 2.98Å; R296-E300 WeakPolarHBondContact O-CB 3.45Å; R296-E300 PolarHBondContact O-N 3.28Å
297	E	84	Confident	76.1	Confident	51 Å²	51	73.1 Å²	73.1	24%	0.238	37%	0.374	C	S	.	.	H	α-helix	trans	-64	-35.3	174.7	-172.7	-177.4	161.9	0	0	112.5	E293 A294 V295 K301 I329 R333	E293-E297 WeakPolarHBondContact O-CB 3.43Å; E293-E297 PolarHBondContact O-N 3.09Å; A294-E297 PolarHBondContact O-N 2.97Å; V295-E297 VanDerWaalsContact C-N 3.33Å; V295-E297 PolarHBondContact O-N 2.89Å; E297-K301 HydrophobicContact CG-CD 4.04Å; E297-K301 VanDerWaalsContact O-CB 3.32Å; E297-K301 WeakPolarHBondContact O-CB 3.31Å; E297-K301 WeakPolarHBondContact O-CD 3.45Å; E297-K301 WeakPolarHBondContact O-CG 3.36Å; E297-K301 PolarHBondContact O-N 3.29Å; E297-K301 IonicContact OE1-NZ 3.03Å; E297-K301 PolarHBondContact OE1-NZ 3.08Å; E297-I329 HydrophobicContact CB-CD1 4.12Å; E297-I329 HydrophobicContact CG-CD1 3.8Å; E297-I329 HydrophobicContact CG-CG1 4.49Å; E297-I329 VanDerWaalsContact OE2-CG2 3.28Å; E297-I329 WeakPolarHBondContact OE2-CG2 3.49Å; E297-R333 IonicContact OE2-CZ 3.5Å; E297-R333 IonicContact OE2-NE 3.66Å; E297-R333 IonicContact OE2-NH2 3.8Å; E297-R333 PolarHBondContact OE2-NH2 3.46Å
298	V	85	Confident	78	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-68.6	-47.6	169.3	175.7	0	0	0	0	110.9	A294 V295 R296 E300 K301 F302 V309 L322 A325 I329	A294-V298 WeakPolarHBondContact O-CG2 3.33Å; A294-V298 PolarHBondContact O-N 2.69Å; V295-V298 PolarHBondContact O-N 2.58Å; V295-V298 VanDerWaalsContact O-N 3.17Å; R296-V298 PolarHBondContact O-N 3.18Å; V298-E300 VanDerWaalsContact C-N 3.32Å; V298-E300 PolarHBondContact O-N 2.94Å; V298-K301 PolarHBondContact O-N 3.08Å; V298-F302 HydrophobicContact CG1-CD2 3.97Å; V298-F302 HydrophobicContact CG1-CG 4.44Å; V298-F302 WeakPolarHBondContact O-CB 3.15Å; V298-F302 WeakPolarHBondContact O-CD2 3.3Å; V298-F302 PolarHBondContact O-N 2.91Å; V298-V309 HydrophobicContact CB-CG1 4.38Å; V298-V309 HydrophobicContact CB-CG2 4.21Å; V298-V309 HydrophobicContact CG1-CG1 4.18Å; V298-V309 HydrophobicContact CG1-CG2 3.63Å; V298-L322 HydrophobicContact CG1-CB 4.44Å; V298-L322 HydrophobicContact CG1-CD2 3.95Å; V298-A325 HydrophobicContact CG1-CB 4.39Å; V298-A325 HydrophobicContact CG2-CB 4.1Å; V298-I329 HydrophobicContact CG2-CD1 3.61Å
299	C	87.3	Confident	79.6	Confident	20 Å²	20	71.1 Å²	71.1	14%	0.135	35%	0.348	C	S	.	.	H	α-helix	trans	-56.8	-43.1	179.5	-71.2	0	0	0	0	112.7	V295 R296 E303 C304 T305 E306	V295-C299 PolarHBondContact O-N 2.94Å; V295-C299 PolarHBondContact O-SG 3.03Å; R296-C299 PolarHBondContact O-N 2.98Å; C299-E303 WeakPolarHBondContact O-CA 3.49Å; C299-E303 PolarHBondContact O-N 2.99Å; C299-E303 VanDerWaalsContact O-N 3.07Å; C299-C304 WeakPolarHBondContact CA-O 3.46Å; C299-C304 WeakPolarHBondContact CB-O 3.21Å; C299-C304 PolarHBondContact O-N 2.93Å; C299-C304 PolarHBondContact SG-O 3.09Å; C299-T305 VanDerWaalsContact SG-C 3.52Å; C299-E306 PolarHBondContact SG-N 2.7Å; C299-E306 VanDerWaalsContact SG-N 3.38Å
300	E	86.6	Confident	80.6	Confident	157 Å²	157	72.4 Å²	72.4	73%	0.734	36%	0.356	S	S	*	.	H	α-helix	trans	-67	-43.6	176.1	-174.2	177.6	-161.4	0	0	112.1	R296 V298	R296-E300 WeakPolarHBondContact O-CB 3.45Å; R296-E300 PolarHBondContact O-N 3.28Å; V298-E300 VanDerWaalsContact C-N 3.32Å; V298-E300 PolarHBondContact O-N 2.94Å
301	K	85.3	Confident	81.3	Confident	129 Å²	129	74.8 Å²	74.8	56%	0.561	38%	0.375	S	S	*	.	H	α-helix	trans	-78.7	-22.3	-175.6	-70.7	174.3	-178.5	179.4	0	114.9	E297 V298	E297-K301 HydrophobicContact CG-CD 4.04Å; E297-K301 VanDerWaalsContact O-CB 3.32Å; E297-K301 WeakPolarHBondContact O-CB 3.31Å; E297-K301 WeakPolarHBondContact O-CD 3.45Å; E297-K301 WeakPolarHBondContact O-CG 3.36Å; E297-K301 PolarHBondContact O-N 3.29Å; E297-K301 IonicContact OE1-NZ 3.03Å; E297-K301 PolarHBondContact OE1-NZ 3.08Å; V298-K301 PolarHBondContact O-N 3.08Å
302	F	84.6	Confident	82	Confident	96 Å²	96	72.4 Å²	72.4	42%	0.421	36%	0.363	S	S	.	.	H	α-helix	trans	-116.2	8.6	-177.4	-69.9	-100.8	0	0	0	113.1	V298 C304 L322 A325	V298-F302 HydrophobicContact CG1-CD2 3.97Å; V298-F302 HydrophobicContact CG1-CG 4.44Å; V298-F302 WeakPolarHBondContact O-CB 3.15Å; V298-F302 WeakPolarHBondContact O-CD2 3.3Å; V298-F302 PolarHBondContact O-N 2.91Å; F302-C304 PolarHBondContact O-N 2.99Å; F302-C304 VanDerWaalsContact O-N 3.12Å; F302-L322 HydrophobicContact CB-CD2 3.77Å; F302-L322 HydrophobicContact CD1-CD2 3.95Å; F302-L322 HydrophobicContact CG-CD2 3.88Å; F302-A325 HydrophobicContact CD2-CB 4.26Å; F302-A325 HydrophobicContact CE1-CB 4.41Å; F302-A325 HydrophobicContact CE2-CB 3.44Å; F302-A325 VanDerWaalsContact CE2-CB 3.44Å; F302-A325 HydrophobicContact CZ-CB 3.53Å
303	E	88.3	Confident	82.2	Confident	192 Å²	192	68.7 Å²	68.7	90%	0.897	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	33.2	-179.8	-58.5	-171.2	165.9	0	0	114.1	C299	C299-E303 WeakPolarHBondContact O-CA 3.49Å; C299-E303 PolarHBondContact O-N 2.99Å; C299-E303 VanDerWaalsContact O-N 3.07Å
304	C	86.8	Confident	81.9	Confident	22 Å²	22	70.6 Å²	70.6	15%	0.149	35%	0.35	C	S	.	.			trans	-116.4	161.5	-172.4	66.2	0	0	0	0	112.8	C299 F302 V309 L322	C299-C304 WeakPolarHBondContact CA-O 3.46Å; C299-C304 WeakPolarHBondContact CB-O 3.21Å; C299-C304 PolarHBondContact O-N 2.93Å; C299-C304 PolarHBondContact SG-O 3.09Å; F302-C304 PolarHBondContact O-N 2.99Å; F302-C304 VanDerWaalsContact O-N 3.12Å; C304-V309 VanDerWaalsContact SG-CG2 3.54Å; C304-L322 HydrophobicContact CB-CD1 4.48Å
305	T	87.1	Confident	81.9	Confident	78 Å²	78	73.9 Å²	73.9	48%	0.479	37%	0.373	S	S	.	.			trans	-83.9	153.9	-179.8	69.7	0	0	0	0	112.4	C299 S307 E308 V309	C299-T305 VanDerWaalsContact SG-C 3.52Å; T305-S307 PolarHBondContact O-N 3.28Å; T305-S307 VanDerWaalsContact O-N 3.14Å; T305-E308 WeakPolarHBondContact CA-OE2 3.4Å; T305-E308 VanDerWaalsContact CB-OE2 3.28Å; T305-E308 WeakPolarHBondContact CB-OE2 3.24Å; T305-E308 WeakPolarHBondContact CG2-OE2 3.36Å; T305-E308 PolarHBondContact N-OE2 3.19Å; T305-E308 PolarHBondContact O-N 2.89Å; T305-E308 VanDerWaalsContact OG1-CD 3.31Å; T305-E308 WeakPolarHBondContact OG1-CG 3.35Å; T305-E308 PolarHBondContact OG1-N 2.86Å; T305-E308 PolarHBondContact OG1-OE2 2.95Å; T305-V309 PolarHBondContact O-N 2.82Å
306	E	79	Confident	80.9	Confident	127 Å²	127	76.7 Å²	76.7	59%	0.593	40%	0.404	S	S	*	.	H	α-helix	trans	-51.5	-39.5	173.6	-62.1	176.8	170	0	0	111.2	V295 C299 E308 V309 V310	V295-E306 HydrophobicContact CG1-CB 4.24Å; V295-E306 HydrophobicContact CG1-CG 4.17Å; C299-E306 PolarHBondContact SG-N 2.7Å; C299-E306 VanDerWaalsContact SG-N 3.38Å; E306-E308 VanDerWaalsContact C-N 3.26Å; E306-E308 PolarHBondContact O-N 3.27Å; E306-V309 PolarHBondContact O-N 2.89Å; E306-V310 WeakPolarHBondContact O-CB 2.94Å; E306-V310 WeakPolarHBondContact O-CG2 3.21Å; E306-V310 PolarHBondContact O-N 3.03Å
307	S	77	Confident	80.4	Confident	88 Å²	88	75.3 Å²	75.3	62%	0.615	41%	0.405	S	S	*	.	H	α-helix	trans	-64.9	-26.9	-179.5	-168.2	0	0	0	0	113.7	T305 S311	T305-S307 PolarHBondContact O-N 3.28Å; T305-S307 VanDerWaalsContact O-N 3.14Å; S307-S311 VanDerWaalsContact O-CB 3.22Å; S307-S311 WeakPolarHBondContact O-CB 3.22Å; S307-S311 PolarHBondContact O-N 2.85Å
308	E	83	Confident	79.4	Confident	100 Å²	100	78.2 Å²	78.2	47%	0.467	43%	0.428	S	S	.	.	H	α-helix	trans	-80.3	-45.3	178	-71.7	156.5	134.8	0	0	110.4	T305 E306 V310 S311 S312 L322	T305-E308 WeakPolarHBondContact CA-OE2 3.4Å; T305-E308 VanDerWaalsContact CB-OE2 3.28Å; T305-E308 WeakPolarHBondContact CB-OE2 3.24Å; T305-E308 WeakPolarHBondContact CG2-OE2 3.36Å; T305-E308 PolarHBondContact N-OE2 3.19Å; T305-E308 PolarHBondContact O-N 2.89Å; T305-E308 VanDerWaalsContact OG1-CD 3.31Å; T305-E308 WeakPolarHBondContact OG1-CG 3.35Å; T305-E308 PolarHBondContact OG1-N 2.86Å; T305-E308 PolarHBondContact OG1-OE2 2.95Å; E306-E308 VanDerWaalsContact C-N 3.26Å; E306-E308 PolarHBondContact O-N 3.27Å; E308-V310 VanDerWaalsContact C-N 3.32Å; E308-V310 PolarHBondContact O-N 3.43Å; E308-S311 PolarHBondContact O-N 2.73Å; E308-S312 VanDerWaalsContact O-CB 3.31Å; E308-S312 WeakPolarHBondContact O-CB 3.36Å; E308-S312 PolarHBondContact O-N 2.99Å; E308-L322 HydrophobicContact CB-CD1 4.29Å
309	V	81.7	Confident	78.7	Confident	0 Å²	0	86.2 Å²	86.2	0%	0	47%	0.465	C	S	.	.	H	α-helix	trans	-59	-44.6	172.2	-176.3	0	0	0	0	110.9	V295 V298 C304 T305 E306 S312 L313 L322	V295-V309 HydrophobicContact CG1-CB 4.3Å; V295-V309 HydrophobicContact CG1-CG1 4.26Å; V295-V309 HydrophobicContact CG2-CG1 4.37Å; V298-V309 HydrophobicContact CB-CG1 4.38Å; V298-V309 HydrophobicContact CB-CG2 4.21Å; V298-V309 HydrophobicContact CG1-CG1 4.18Å; V298-V309 HydrophobicContact CG1-CG2 3.63Å; C304-V309 VanDerWaalsContact SG-CG2 3.54Å; T305-V309 PolarHBondContact O-N 2.82Å; E306-V309 PolarHBondContact O-N 2.89Å; V309-S312 WeakPolarHBondContact O-CB 3.43Å; V309-S312 PolarHBondContact O-N 2.89Å; V309-L313 HydrophobicContact CG1-CD1 3.9Å; V309-L313 WeakPolarHBondContact O-CB 3.47Å; V309-L313 WeakPolarHBondContact O-CG 3.36Å; V309-L313 PolarHBondContact O-N 3.1Å; V309-L322 HydrophobicContact CG2-CD1 4.28Å
310	V	76.7	Confident	78.4	Confident	45 Å²	45	87.6 Å²	87.6	27%	0.273	47%	0.471	S	S	.	.	H	α-helix	trans	-61.4	-44.3	175.4	172.2	0	0	0	0	111.3	L290 E306 E308 L313 Y314	L290-V310 HydrophobicContact CD1-CB 4.21Å; L290-V310 HydrophobicContact CD1-CG1 4.32Å; L290-V310 HydrophobicContact CD1-CG2 3.63Å; E306-V310 WeakPolarHBondContact O-CB 2.94Å; E306-V310 WeakPolarHBondContact O-CG2 3.21Å; E306-V310 PolarHBondContact O-N 3.03Å; E308-V310 VanDerWaalsContact C-N 3.32Å; E308-V310 PolarHBondContact O-N 3.43Å; V310-L313 PolarHBondContact O-N 3.47Å; V310-Y314 HydrophobicContact CG1-CD2 3.7Å; V310-Y314 HydrophobicContact CG1-CE2 3.51Å; V310-Y314 WeakPolarHBondContact O-CD2 3.49Å; V310-Y314 PolarHBondContact O-N 3.48Å; V310-Y314 VanDerWaalsContact O-N 3.1Å
311	S	79	Confident	78.1	Confident	80 Å²	80	87.3 Å²	87.3	56%	0.559	47%	0.47	S	S	*	.	H	α-helix	trans	-69.6	-37.1	-180	-170.6	0	0	0	0	112.4	S307 E308 Y314 S315	S307-S311 VanDerWaalsContact O-CB 3.22Å; S307-S311 WeakPolarHBondContact O-CB 3.22Å; S307-S311 PolarHBondContact O-N 2.85Å; E308-S311 PolarHBondContact O-N 2.73Å; S311-Y314 PolarHBondContact O-N 2.99Å; S311-S315 PolarHBondContact O-N 2.96Å
312	S	81.3	Confident	77.9	Confident	7 Å²	7	82.6 Å²	82.6	5%	0.049	45%	0.451	C	S	.	.	H	α-helix	trans	-58.2	-52.8	171.8	153.7	0	0	0	0	110.7	E308 V309 Y314 S315 D320 A323	E308-S312 VanDerWaalsContact O-CB 3.31Å; E308-S312 WeakPolarHBondContact O-CB 3.36Å; E308-S312 PolarHBondContact O-N 2.99Å; V309-S312 WeakPolarHBondContact O-CB 3.43Å; V309-S312 PolarHBondContact O-N 2.89Å; S312-Y314 VanDerWaalsContact C-N 3.29Å; S312-Y314 PolarHBondContact O-N 2.64Å; S312-S315 VanDerWaalsContact O-CB 3.25Å; S312-S315 WeakPolarHBondContact O-CB 3.44Å; S312-S315 PolarHBondContact O-N 2.85Å; S312-S315 PolarHBondContact O-OG 3.02Å; S312-D320 VanDerWaalsContact CB-OD1 3.31Å; S312-D320 WeakPolarHBondContact CB-OD1 3.36Å; S312-D320 PolarHBondContact OG-OD1 2.83Å; S312-D320 PolarHBondContact OG-OD2 3.02Å; S312-A323 WeakPolarHBondContact OG-CB 3.46Å; S312-A323 PolarHBondContact OG-N 3.28Å
313	L	75.2	Confident	77.5	Confident	34 Å²	34	78.4 Å²	78.4	18%	0.178	43%	0.434	C	S	.	.	H	α-helix	trans	-65.1	-28.2	-179.5	-71.5	164.2	0	0	0	113.6	L290 V309 V310 A323 Y326	L290-L313 HydrophobicContact CD1-CD1 4.2Å; L290-L313 HydrophobicContact CD2-CB 4.48Å; L290-L313 HydrophobicContact CD2-CD1 3.78Å; V309-L313 HydrophobicContact CG1-CD1 3.9Å; V309-L313 WeakPolarHBondContact O-CB 3.47Å; V309-L313 WeakPolarHBondContact O-CG 3.36Å; V309-L313 PolarHBondContact O-N 3.1Å; V310-L313 PolarHBondContact O-N 3.47Å; L313-A323 HydrophobicContact CD2-CB 3.8Å; L313-A323 HydrophobicContact CG-CB 4.4Å; L313-Y326 HydrophobicContact CD1-CD1 3.73Å; L313-Y326 HydrophobicContact CD1-CD2 3.98Å; L313-Y326 HydrophobicContact CD1-CE1 4.13Å; L313-Y326 HydrophobicContact CD1-CE2 4.36Å; L313-Y326 HydrophobicContact CD1-CG 3.65Å; L313-Y326 HydrophobicContact CD2-CD1 3.61Å; L313-Y326 HydrophobicContact CD2-CE1 4.29Å; L313-Y326 HydrophobicContact CD2-CG 4.1Å; L313-Y326 HydrophobicContact CG-CD1 4.35Å; L313-Y326 HydrophobicContact CG-CG 4.49Å
314	Y	71.8	Confident	76.8	Confident	137 Å²	137	72.3 Å²	72.3	54%	0.537	41%	0.41	S	S	.	.	H	α-helix	trans	-84.3	-10	171.1	-72.7	-56	0	0	0	114.8	R74 V310 S311 S312 G316	R74-Y314 PolarHBondContact NH1-OH 3.09Å; R74-Y314 PolarHBondContact NH2-OH 3.38Å; R74-Y314 VanDerWaalsContact NH2-OH 3.09Å; V310-Y314 HydrophobicContact CG1-CD2 3.7Å; V310-Y314 HydrophobicContact CG1-CE2 3.51Å; V310-Y314 WeakPolarHBondContact O-CD2 3.49Å; V310-Y314 PolarHBondContact O-N 3.48Å; V310-Y314 VanDerWaalsContact O-N 3.1Å; S311-Y314 PolarHBondContact O-N 2.99Å; S312-Y314 VanDerWaalsContact C-N 3.29Å; S312-Y314 PolarHBondContact O-N 2.64Å; Y314-G316 VanDerWaalsContact C-N 3.31Å
315	S	76.6	Confident	76.4	Confident	70 Å²	70	71.8 Å²	71.8	49%	0.49	41%	0.407	S	S	.	.	H	α-helix	trans	-68.1	-32.9	178.3	75.5	0	0	0	0	112.5	S311 S312 D317	S311-S315 PolarHBondContact O-N 2.96Å; S312-S315 VanDerWaalsContact O-CB 3.25Å; S312-S315 WeakPolarHBondContact O-CB 3.44Å; S312-S315 PolarHBondContact O-N 2.85Å; S312-S315 PolarHBondContact O-OG 3.02Å; S315-D317 VanDerWaalsContact C-N 3.28Å; S315-D317 PolarHBondContact OG-N 3.44Å; S315-D317 VanDerWaalsContact OG-N 3.14Å
316	G	60.3	Low	76.1	Confident	66 Å²	66	68.7 Å²	68.7	68%	0.68	39%	0.387	S	S	*	.			trans	75.1	9.7	-173.1	0	0	0	0	0	114.8	Y314 P318	Y314-G316 VanDerWaalsContact C-N 3.31Å; G316-P318 WeakPolarHBondContact O-CD 3.25Å
317	D	71.8	Confident	75.7	Confident	83 Å²	83	67.5 Å²	67.5	44%	0.444	38%	0.381	S	S	.	.			trans	-77.6	115.6	175.1	-168.8	-21.1	0	0	0	110.9	S315 Q319 D320	S315-D317 VanDerWaalsContact C-N 3.28Å; S315-D317 PolarHBondContact OG-N 3.44Å; S315-D317 VanDerWaalsContact OG-N 3.14Å; D317-Q319 PolarHBondContact O-N 3.06Å; D317-Q319 WeakPolarHBondContact OD1-CB 3.48Å; D317-Q319 PolarHBondContact OD1-N 3.38Å; D317-D320 HydrophobicContact CB-CB 4.4Å; D317-D320 PolarHBondContact O-N 3.05Å
318	P	63.8	Low	75.4	Confident	112 Å²	112	68 Å²	68	73%	0.727	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-0.7	178.6	32.8	-37.3	0	0	0	114.1	G316	G316-P318 WeakPolarHBondContact O-CD 3.25Å
319	Q	69.6	Low	75.1	Confident	167 Å²	167	63.9 Å²	63.9	78%	0.78	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-3.5	176.6	-55.3	-169.6	19.6	0	0	113.6	D317 Q321	D317-Q319 PolarHBondContact O-N 3.06Å; D317-Q319 WeakPolarHBondContact OD1-CB 3.48Å; D317-Q319 PolarHBondContact OD1-N 3.38Å; Q319-Q321 PolarHBondContact O-N 3.18Å
320	D	81.6	Confident	74.5	Confident	50 Å²	50	64.9 Å²	64.9	27%	0.267	36%	0.362	S	S	.	.			trans	-67.5	126	177.8	-174.9	-66.8	0	0	0	111.3	S312 D317 L322 A323 V324	S312-D320 VanDerWaalsContact CB-OD1 3.31Å; S312-D320 WeakPolarHBondContact CB-OD1 3.36Å; S312-D320 PolarHBondContact OG-OD1 2.83Å; S312-D320 PolarHBondContact OG-OD2 3.02Å; D317-D320 HydrophobicContact CB-CB 4.4Å; D317-D320 PolarHBondContact O-N 3.05Å; D320-L322 VanDerWaalsContact C-N 3.34Å; D320-L322 PolarHBondContact O-N 3.14Å; D320-L322 WeakPolarHBondContact OD1-CB 3.35Å; D320-L322 PolarHBondContact OD1-N 3.43Å; D320-A323 HydrophobicContact CB-CB 4.19Å; D320-A323 PolarHBondContact O-N 2.87Å; D320-A323 PolarHBondContact OD1-N 3.18Å; D320-V324 WeakPolarHBondContact O-CG2 3.41Å; D320-V324 PolarHBondContact O-N 3.24Å
321	Q	79.5	Confident	73.8	Confident	151 Å²	151	66 Å²	66	71%	0.706	37%	0.367	S	S	*	.	H	α-helix	trans	-68.8	-28.9	-172	-65	-173.5	-5.1	0	0	113.6	Q319 A325	Q319-Q321 PolarHBondContact O-N 3.18Å; Q321-A325 VanDerWaalsContact O-CB 3.22Å; Q321-A325 WeakPolarHBondContact O-CB 3.47Å; Q321-A325 PolarHBondContact O-N 3.3Å
322	L	82.3	Confident	73.3	Confident	30 Å²	30	66.6 Å²	66.6	16%	0.157	36%	0.364	C	S	.	.	H	α-helix	trans	-75.4	-37.2	176.8	-58.1	179.9	0	0	0	110.8	V298 F302 C304 E308 V309 D320 A325 Y326	V298-L322 HydrophobicContact CG1-CB 4.44Å; V298-L322 HydrophobicContact CG1-CD2 3.95Å; F302-L322 HydrophobicContact CB-CD2 3.77Å; F302-L322 HydrophobicContact CD1-CD2 3.95Å; F302-L322 HydrophobicContact CG-CD2 3.88Å; C304-L322 HydrophobicContact CB-CD1 4.48Å; E308-L322 HydrophobicContact CB-CD1 4.29Å; V309-L322 HydrophobicContact CG2-CD1 4.28Å; D320-L322 VanDerWaalsContact C-N 3.34Å; D320-L322 PolarHBondContact O-N 3.14Å; D320-L322 WeakPolarHBondContact OD1-CB 3.35Å; D320-L322 PolarHBondContact OD1-N 3.43Å; L322-A325 PolarHBondContact O-N 3.48Å; L322-Y326 WeakPolarHBondContact O-CB 3.45Å; L322-Y326 PolarHBondContact O-N 3.13Å
323	A	74.4	Confident	72.7	Confident	8 Å²	8	69.2 Å²	69.2	7%	0.066	37%	0.373	C	S	.	.	H	α-helix	trans	-65.1	-46.8	173.4	0	0	0	0	0	111.1	S312 L313 D320 A325 Y326 H327	S312-A323 WeakPolarHBondContact OG-CB 3.46Å; S312-A323 PolarHBondContact OG-N 3.28Å; L313-A323 HydrophobicContact CD2-CB 3.8Å; L313-A323 HydrophobicContact CG-CB 4.4Å; D320-A323 HydrophobicContact CB-CB 4.19Å; D320-A323 PolarHBondContact O-N 2.87Å; D320-A323 PolarHBondContact OD1-N 3.18Å; A323-A325 PolarHBondContact O-N 3.27Å; A323-Y326 PolarHBondContact O-N 3.03Å; A323-H327 PolarHBondContact O-CD2 3.18Å; A323-H327 PolarHBondContact O-N 3Å
324	V	75.1	Confident	72	Confident	64 Å²	64	72 Å²	72	39%	0.388	38%	0.38	S	S	.	.	H	α-helix	trans	-60.8	-42.8	175.5	171.4	0	0	0	0	111.3	D320 H327 L328	D320-V324 WeakPolarHBondContact O-CG2 3.41Å; D320-V324 PolarHBondContact O-N 3.24Å; V324-H327 PolarHBondContact O-N 3.39Å; V324-L328 HydrophobicContact CG1-CD1 3.92Å; V324-L328 HydrophobicContact CG1-CG 4.42Å; V324-L328 WeakPolarHBondContact O-CB 3.45Å; V324-L328 VanDerWaalsContact O-CG 3.29Å; V324-L328 WeakPolarHBondContact O-CG 3.26Å; V324-L328 PolarHBondContact O-N 2.99Å
325	A	78.6	Confident	71.5	Confident	11 Å²	11	70.4 Å²	70.4	9%	0.091	38%	0.38	C	S	.	.	H	α-helix	trans	-62.3	-45.4	176.5	0	0	0	0	0	112.6	V298 F302 Q321 L322 A323 L328 I329	V298-A325 HydrophobicContact CG1-CB 4.39Å; V298-A325 HydrophobicContact CG2-CB 4.1Å; F302-A325 HydrophobicContact CD2-CB 4.26Å; F302-A325 HydrophobicContact CE1-CB 4.41Å; F302-A325 HydrophobicContact CE2-CB 3.44Å; F302-A325 VanDerWaalsContact CE2-CB 3.44Å; F302-A325 HydrophobicContact CZ-CB 3.53Å; Q321-A325 VanDerWaalsContact O-CB 3.22Å; Q321-A325 WeakPolarHBondContact O-CB 3.47Å; Q321-A325 PolarHBondContact O-N 3.3Å; L322-A325 PolarHBondContact O-N 3.48Å; A323-A325 PolarHBondContact O-N 3.27Å; A325-L328 PolarHBondContact O-N 2.87Å; A325-I329 WeakPolarHBondContact O-CG1 3.28Å; A325-I329 PolarHBondContact O-N 3.32Å
326	Y	80.1	Confident	70.7	Confident	13 Å²	13	71.1 Å²	71.1	5%	0.051	38%	0.377	C	S	.	.	H	α-helix	trans	-59	-50.8	175.1	175	-95.3	0	0	0	111.3	L290 D291 A294 V295 L313 L322 A323 L328 I329 I330	L290-Y326 WeakPolarHBondContact CA-OH 3.12Å; L290-Y326 HydrophobicContact CD2-CE1 4.41Å; D291-Y326 HydrophobicContact CB-CE2 4.37Å; D291-Y326 PolarHBondContact N-OH 3.42Å; A294-Y326 HydrophobicContact CB-CD2 3.95Å; A294-Y326 HydrophobicContact CB-CE2 3.76Å; V295-Y326 HydrophobicContact CG2-CD2 4.1Å; V295-Y326 HydrophobicContact CG2-CE2 3.85Å; L313-Y326 HydrophobicContact CD1-CD1 3.73Å; L313-Y326 HydrophobicContact CD1-CD2 3.98Å; L313-Y326 HydrophobicContact CD1-CE1 4.13Å; L313-Y326 HydrophobicContact CD1-CE2 4.36Å; L313-Y326 HydrophobicContact CD1-CG 3.65Å; L313-Y326 HydrophobicContact CD2-CD1 3.61Å; L313-Y326 HydrophobicContact CD2-CE1 4.29Å; L313-Y326 HydrophobicContact CD2-CG 4.1Å; L313-Y326 HydrophobicContact CG-CD1 4.35Å; L313-Y326 HydrophobicContact CG-CG 4.49Å; L322-Y326 WeakPolarHBondContact O-CB 3.45Å; L322-Y326 PolarHBondContact O-N 3.13Å; A323-Y326 PolarHBondContact O-N 3.03Å; Y326-L328 VanDerWaalsContact C-N 3.34Å; Y326-L328 PolarHBondContact O-N 3.43Å; Y326-I329 PolarHBondContact O-N 3.47Å; Y326-I329 VanDerWaalsContact O-N 3.11Å; Y326-I330 HydrophobicContact CD1-CG1 4.26Å; Y326-I330 HydrophobicContact CE1-CD1 4.49Å; Y326-I330 HydrophobicContact CE1-CG1 3.88Å; Y326-I330 HydrophobicContact CE2-CD1 4.38Å; Y326-I330 HydrophobicContact CE2-CG1 4.38Å; Y326-I330 WeakPolarHBondContact O-CG1 3.43Å; Y326-I330 PolarHBondContact O-N 3.05Å
327	H	70.5	Confident	70.6	Confident	101 Å²	101	71.8 Å²	71.8	47%	0.468	37%	0.368	S	S	.	.	H	α-helix	trans	-62.1	-38.6	179.6	-72	-55.7	0	0	0	112.7	A323 V324 I329 I330 D331	A323-H327 PolarHBondContact O-CD2 3.18Å; A323-H327 PolarHBondContact O-N 3Å; V324-H327 PolarHBondContact O-N 3.39Å; H327-I329 VanDerWaalsContact C-N 3.34Å; H327-I329 PolarHBondContact O-N 3.24Å; H327-I330 PolarHBondContact O-N 3.11Å; H327-D331 PolarHBondContact O-N 3.48Å
328	L	71.1	Confident	69.9	Low	98 Å²	98	74.6 Å²	74.6	51%	0.513	38%	0.378	S	S	.	.	H	α-helix	trans	-63.2	-36.3	173.6	-75.6	170.6	0	0	0	112.9	V324 A325 Y326 N332	V324-L328 HydrophobicContact CG1-CD1 3.92Å; V324-L328 HydrophobicContact CG1-CG 4.42Å; V324-L328 WeakPolarHBondContact O-CB 3.45Å; V324-L328 VanDerWaalsContact O-CG 3.29Å; V324-L328 WeakPolarHBondContact O-CG 3.26Å; V324-L328 PolarHBondContact O-N 2.99Å; A325-L328 PolarHBondContact O-N 2.87Å; Y326-L328 VanDerWaalsContact C-N 3.34Å; Y326-L328 PolarHBondContact O-N 3.43Å; L328-N332 WeakPolarHBondContact O-CB 3.48Å; L328-N332 PolarHBondContact O-N 2.82Å; L328-N332 PolarHBondContact O-ND2 2.89Å
329	I	76.8	Confident	69.6	Low	14 Å²	14	71.3 Å²	71.3	7%	0.072	36%	0.361	C	S	.	.	H	α-helix	trans	-67.3	-43.3	175.2	-71.8	161	0	0	0	110.4	A294 E297 V298 A325 Y326 H327 N332 R333	A294-I329 HydrophobicContact CB-CB 4.49Å; A294-I329 HydrophobicContact CB-CG2 3.7Å; E297-I329 HydrophobicContact CB-CD1 4.12Å; E297-I329 HydrophobicContact CG-CD1 3.8Å; E297-I329 HydrophobicContact CG-CG1 4.49Å; E297-I329 VanDerWaalsContact OE2-CG2 3.28Å; E297-I329 WeakPolarHBondContact OE2-CG2 3.49Å; V298-I329 HydrophobicContact CG2-CD1 3.61Å; A325-I329 WeakPolarHBondContact O-CG1 3.28Å; A325-I329 PolarHBondContact O-N 3.32Å; Y326-I329 PolarHBondContact O-N 3.47Å; Y326-I329 VanDerWaalsContact O-N 3.11Å; H327-I329 VanDerWaalsContact C-N 3.34Å; H327-I329 PolarHBondContact O-N 3.24Å; I329-N332 PolarHBondContact O-N 3.41Å; I329-R333 WeakPolarHBondContact O-CG 3.47Å; I329-R333 PolarHBondContact O-N 2.88Å
330	I	69.4	Low	69	Low	22 Å²	22	66.3 Å²	66.3	11%	0.113	34%	0.344	C	S	.	.	H	α-helix	trans	-61.4	-48.5	175.6	-62.7	-62	0	0	0	111.5	D291 A294 Y326 H327 N332 R333 R334	D291-I330 HydrophobicContact CB-CD1 3.8Å; A294-I330 HydrophobicContact CB-CD1 3.89Å; Y326-I330 HydrophobicContact CD1-CG1 4.26Å; Y326-I330 HydrophobicContact CE1-CD1 4.49Å; Y326-I330 HydrophobicContact CE1-CG1 3.88Å; Y326-I330 HydrophobicContact CE2-CD1 4.38Å; Y326-I330 HydrophobicContact CE2-CG1 4.38Å; Y326-I330 WeakPolarHBondContact O-CG1 3.43Å; Y326-I330 PolarHBondContact O-N 3.05Å; H327-I330 PolarHBondContact O-N 3.11Å; I330-N332 VanDerWaalsContact C-N 3.32Å; I330-N332 PolarHBondContact O-N 2.87Å; I330-R333 PolarHBondContact O-N 3.1Å; I330-R334 VanDerWaalsContact O-CB 3.28Å; I330-R334 WeakPolarHBondContact O-CB 3.4Å; I330-R334 PolarHBondContact O-N 3.01Å
331	D	61.9	Low	68	Low	69 Å²	69	72 Å²	72	37%	0.369	37%	0.369	S	S	.	.	H	α-helix	trans	-64.5	-33.9	178.3	-92.4	-42.1	0	0	0	112.6	H327 R334 I335	H327-D331 PolarHBondContact O-N 3.48Å; D331-R334 WeakPolarHBondContact O-CB 3.32Å; D331-R334 PolarHBondContact O-N 3.47Å; D331-R334 VanDerWaalsContact OD1-CD 3.26Å; D331-R334 WeakPolarHBondContact OD1-CD 3.39Å; D331-R334 IonicContact OD1-CZ 3.79Å; D331-R334 IonicContact OD1-NE 2.68Å; D331-R334 IonicContact OD1-NH1 2.86Å; D331-R334 PolarHBondContact OD1-NH1 2.87Å; D331-I335 VanDerWaalsContact O-CG1 3.31Å; D331-I335 WeakPolarHBondContact O-CG1 3.26Å; D331-I335 PolarHBondContact O-N 3.44Å
332	N	67.8	Low	67.3	Low	92 Å²	92	72.7 Å²	72.7	49%	0.492	37%	0.37	S	S	.	.	H	α-helix	trans	-64.8	-48.6	171.8	-81.3	-61.8	0	0	0	111.6	L328 I329 I330 R334 I335 M336	L328-N332 WeakPolarHBondContact O-CB 3.48Å; L328-N332 PolarHBondContact O-N 2.82Å; L328-N332 PolarHBondContact O-ND2 2.89Å; I329-N332 PolarHBondContact O-N 3.41Å; I330-N332 VanDerWaalsContact C-N 3.32Å; I330-N332 PolarHBondContact O-N 2.87Å; N332-R334 VanDerWaalsContact C-N 3.25Å; N332-R334 PolarHBondContact O-N 2.94Å; N332-I335 PolarHBondContact O-N 3.46Å; N332-M336 WeakPolarHBondContact O-CG 3.4Å; N332-M336 PolarHBondContact O-N 3.01Å
333	R	68.2	Low	66	Low	62 Å²	62	76.8 Å²	76.8	23%	0.234	38%	0.384	C	S	.	.	H	α-helix	trans	-60.8	-34.1	176.8	-68.7	171.6	-176.2	-162.1	1.4	112.3	D291 E293 E297 I329 I330 M336 T337	D291-R333 IonicContact OD1-NH1 2.66Å; D291-R333 PolarHBondContact OD1-NH1 3.04Å; D291-R333 IonicContact OD2-CZ 3.49Å; D291-R333 IonicContact OD2-NH1 3.63Å; D291-R333 PolarHBondContact OD2-NH1 3.46Å; E293-R333 VanDerWaalsContact C-NH2 3.3Å; E293-R333 PolarHBondContact O-NH2 3.32Å; E297-R333 IonicContact OE2-CZ 3.5Å; E297-R333 IonicContact OE2-NE 3.66Å; E297-R333 IonicContact OE2-NH2 3.8Å; E297-R333 PolarHBondContact OE2-NH2 3.46Å; I329-R333 WeakPolarHBondContact O-CG 3.47Å; I329-R333 PolarHBondContact O-N 2.88Å; I330-R333 PolarHBondContact O-N 3.1Å; R333-M336 WeakPolarHBondContact O-CB 3.47Å; R333-M336 PolarHBondContact O-N 2.89Å; R333-T337 PolarHBondContact O-N 2.99Å; R333-T337 PolarHBondContact O-OG1 2.91Å
334	R	60.9	Low	65.7	Low	91 Å²	91	82.5 Å²	82.5	34%	0.343	41%	0.413	S	S	.	.	H	α-helix	trans	-64.8	-46.5	173	179.7	-165.6	-168.1	-159.4	5.6	112.5	D282 I330 D331 N332 M336 T337 Q338	D282-R334 IonicContact OD1-NE 2.61Å; D282-R334 IonicContact OD2-CZ 2.74Å; D282-R334 IonicContact OD2-NE 2.64Å; D282-R334 PolarHBondContact OD2-NE 3.18Å; D282-R334 IonicContact OD2-NH2 3.71Å; D282-R334 PolarHBondContact OD2-NH2 3.03Å; I330-R334 VanDerWaalsContact O-CB 3.28Å; I330-R334 WeakPolarHBondContact O-CB 3.4Å; I330-R334 PolarHBondContact O-N 3.01Å; D331-R334 WeakPolarHBondContact O-CB 3.32Å; D331-R334 PolarHBondContact O-N 3.47Å; D331-R334 VanDerWaalsContact OD1-CD 3.26Å; D331-R334 WeakPolarHBondContact OD1-CD 3.39Å; D331-R334 IonicContact OD1-CZ 3.79Å; D331-R334 IonicContact OD1-NE 2.68Å; D331-R334 IonicContact OD1-NH1 2.86Å; D331-R334 PolarHBondContact OD1-NH1 2.87Å; N332-R334 VanDerWaalsContact C-N 3.25Å; N332-R334 PolarHBondContact O-N 2.94Å; R334-M336 VanDerWaalsContact C-N 3.29Å; R334-M336 PolarHBondContact O-N 3.42Å; R334-T337 PolarHBondContact O-N 3.02Å; R334-T337 VanDerWaalsContact O-N 3.13Å; R334-Q338 PolarHBondContact O-N 3.19Å
335	I	60.7	Low	65.5	Low	104 Å²	104	84.5 Å²	84.5	53%	0.533	44%	0.436	S	S	.	.	H	α-helix	trans	-59.2	-41.2	173	-69.1	163.8	0	0	0	110.6	D331 N332 T337 Q338 A339	D331-I335 VanDerWaalsContact O-CG1 3.31Å; D331-I335 WeakPolarHBondContact O-CG1 3.26Å; D331-I335 PolarHBondContact O-N 3.44Å; N332-I335 PolarHBondContact O-N 3.46Å; I335-T337 VanDerWaalsContact C-N 3.32Å; I335-T337 PolarHBondContact O-N 3.27Å; I335-Q338 PolarHBondContact O-N 3.2Å; I335-A339 WeakPolarHBondContact O-CB 3.36Å; I335-A339 PolarHBondContact O-N 2.92Å; I335-A339 VanDerWaalsContact O-N 3.1Å
336	M	60.5	Low	65.3	Low	86 Å²	86	88.7 Å²	88.7	42%	0.424	47%	0.465	S	S	.	.	H	α-helix	trans	-59.3	-43.1	174.3	-61.4	-167.5	167.9	0	0	112.2	N332 R333 R334 A339 Y343	N332-M336 WeakPolarHBondContact O-CG 3.4Å; N332-M336 PolarHBondContact O-N 3.01Å; R333-M336 WeakPolarHBondContact O-CB 3.47Å; R333-M336 PolarHBondContact O-N 2.89Å; R334-M336 VanDerWaalsContact C-N 3.29Å; R334-M336 PolarHBondContact O-N 3.42Å; M336-A339 CarbonylContact O-C 3.5Å; M336-A339 PolarHBondContact O-N 3.46Å; M336-Y343 VanDerWaalsContact CA-CE2 3.47Å; M336-Y343 HydrophobicContact CB-CD2 4.02Å; M336-Y343 HydrophobicContact CB-CE1 4.13Å; M336-Y343 HydrophobicContact CB-CE2 3.6Å; M336-Y343 HydrophobicContact CB-CG 4.49Å; M336-Y343 HydrophobicContact CE-CE1 4.19Å; M336-Y343 HydrophobicContact CG-CE1 3.93Å; M336-Y343 HydrophobicContact CG-CE2 3.92Å; M336-Y343 VanDerWaalsContact CG-CZ 3.48Å; M336-Y343 WeakPolarHBondContact CG-OH 3.45Å; M336-Y343 WeakPolarHBondContact O-CD2 3.4Å; M336-Y343 WeakPolarHBondContact O-CE2 3.47Å; M336-Y343 HydrophobicContact SD-CD1 4.45Å; M336-Y343 HydrophobicContact SD-CE1 3.68Å
337	T	58.3	Low	64.8	Low	79 Å²	79	93.4 Å²	93.4	49%	0.485	50%	0.5	S	S	.	.	H	α-helix	trans	-69.4	-39.2	-176.7	-56.7	0	0	0	0	111.9	R333 R334 I335 A339 S340	R333-T337 PolarHBondContact O-N 2.99Å; R333-T337 PolarHBondContact O-OG1 2.91Å; R334-T337 PolarHBondContact O-N 3.02Å; R334-T337 VanDerWaalsContact O-N 3.13Å; I335-T337 VanDerWaalsContact C-N 3.32Å; I335-T337 PolarHBondContact O-N 3.27Å; T337-A339 VanDerWaalsContact C-N 3.31Å; T337-A339 PolarHBondContact O-N 2.93Å; T337-S340 WeakPolarHBondContact O-CB 3.31Å; T337-S340 PolarHBondContact O-N 2.89Å
338	Q	56.6	Low	64.8	Low	142 Å²	142	93.3 Å²	93.3	66%	0.664	51%	0.508	S	S	*	.	H	α-helix	trans	-64.2	-36.4	173.3	-69.8	178.4	-2.5	0	0	111.7	R334 I335 S340	R334-Q338 PolarHBondContact O-N 3.19Å; I335-Q338 PolarHBondContact O-N 3.2Å; Q338-S340 PolarHBondContact O-N 2.88Å; Q338-S340 VanDerWaalsContact O-N 3.11Å
339	A	58.6	Low	64.5	Low	44 Å²	44	92.6 Å²	92.6	36%	0.364	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	38.1	173	0	0	0	0	0	113.4	I335 M336 T337 E341 F342 Y343	I335-A339 WeakPolarHBondContact O-CB 3.36Å; I335-A339 PolarHBondContact O-N 2.92Å; I335-A339 VanDerWaalsContact O-N 3.1Å; M336-A339 CarbonylContact O-C 3.5Å; M336-A339 PolarHBondContact O-N 3.46Å; T337-A339 VanDerWaalsContact C-N 3.31Å; T337-A339 PolarHBondContact O-N 2.93Å; A339-E341 VanDerWaalsContact C-N 3.27Å; A339-E341 PolarHBondContact O-N 3.46Å; A339-F342 HydrophobicContact CB-CB 4.42Å; A339-F342 VanDerWaalsContact O-CB 3.26Å; A339-F342 WeakPolarHBondContact O-CB 3.36Å; A339-F342 PolarHBondContact O-N 2.86Å; A339-Y343 HydrophobicContact CB-CE2 4.23Å
340	S	57.3	Low	63.2	Low	61 Å²	61	101.4 Å²	101.4	43%	0.427	55%	0.55	S	S	.	*	H	α-helix	trans	-50.8	-35.2	-170.8	59.8	0	0	0	0	115.9	T337 Q338 F342 Y343 L344	T337-S340 WeakPolarHBondContact O-CB 3.31Å; T337-S340 PolarHBondContact O-N 2.89Å; Q338-S340 PolarHBondContact O-N 2.88Å; Q338-S340 VanDerWaalsContact O-N 3.11Å; S340-F342 PolarHBondContact O-N 3.23Å; S340-Y343 PolarHBondContact O-N 3.44Å; S340-L344 PolarHBondContact O-N 2.89Å
341	E	59.9	Low	62.2	Low	169 Å²	169	104.2 Å²	104.2	79%	0.79	59%	0.585	S	S	*	*	H	α-helix	trans	-64.6	-19.2	176.3	-62.9	-163.7	134.2	0	0	114.3	A339	A339-E341 VanDerWaalsContact C-N 3.27Å; A339-E341 PolarHBondContact O-N 3.46Å
342	F	63.8	Low	61.2	Low	167 Å²	167	103.6 Å²	103.6	73%	0.732	59%	0.585	S	S	*	*	H	α-helix	trans	-80.3	-32.9	174.9	-174.9	-83.8	0	0	0	112.1	A339 S340	A339-F342 HydrophobicContact CB-CB 4.42Å; A339-F342 VanDerWaalsContact O-CB 3.26Å; A339-F342 WeakPolarHBondContact O-CB 3.36Å; A339-F342 PolarHBondContact O-N 2.86Å; S340-F342 PolarHBondContact O-N 3.23Å
343	Y	55.4	Low	60.2	Low	115 Å²	115	109.1 Å²	109.1	45%	0.451	61%	0.605	S	S	.	*	H	α-helix	trans	-100.6	-25.4	-174	-64.8	-85.7	0	0	0	113.4	M336 A339 S340	M336-Y343 VanDerWaalsContact CA-CE2 3.47Å; M336-Y343 HydrophobicContact CB-CD2 4.02Å; M336-Y343 HydrophobicContact CB-CE1 4.13Å; M336-Y343 HydrophobicContact CB-CE2 3.6Å; M336-Y343 HydrophobicContact CB-CG 4.49Å; M336-Y343 HydrophobicContact CE-CE1 4.19Å; M336-Y343 HydrophobicContact CG-CE1 3.93Å; M336-Y343 HydrophobicContact CG-CE2 3.92Å; M336-Y343 VanDerWaalsContact CG-CZ 3.48Å; M336-Y343 WeakPolarHBondContact CG-OH 3.45Å; M336-Y343 WeakPolarHBondContact O-CD2 3.4Å; M336-Y343 WeakPolarHBondContact O-CE2 3.47Å; M336-Y343 HydrophobicContact SD-CD1 4.45Å; M336-Y343 HydrophobicContact SD-CE1 3.68Å; A339-Y343 HydrophobicContact CB-CE2 4.23Å; S340-Y343 PolarHBondContact O-N 3.44Å
344	L	67.4	Low	59.2	Low	129 Å²	129	111.8 Å²	111.8	68%	0.675	62%	0.623	S	S	*	*	S	Bend	trans	-130.3	129.5	-174.7	-62.5	176.1	0	0	0	111.4	S340 S346	S340-L344 PolarHBondContact O-N 2.89Å; L344-S346 PolarHBondContact O-N 2.95Å
345	A	72.2	Confident	58.4	Low	105 Å²	105	115.2 Å²	115.2	87%	0.868	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-70.3	125.6	173.8	0	0	0	0	0	111.4
346	S	73.2	Confident	57.7	Low	100 Å²	100	116.9 Å²	116.9	70%	0.699	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-71.1	146.3	174.3	55.2	0	0	0	0	112.1	L344	L344-S346 PolarHBondContact O-N 2.95Å
347	S	70.6	Confident	57.3	Low	111 Å²	111	116.3 Å²	116.3	78%	0.776	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-77.6	141.3	173.6	-72.3	0	0	0	0	111
348	P	70.8	Confident	56.8	Low	100 Å²	100	119.6 Å²	119.6	65%	0.649	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-65.5	151.2	175.7	28.8	-35.1	0	0	0	111.4	Q350	P348-Q350 PolarHBondContact O-N 2.66Å
349	P	65	Low	56.6	Low	83 Å²	83	118.1 Å²	118.1	54%	0.539	68%	0.68	S	S	.	*	P	Polyproline II helix	trans	-62.7	129.1	-177.6	24.8	-33.8	0	0	0	111.8	G351 S352	P349-G351 PolarHBondContact O-N 3.43Å; P349-S352 PolarHBondContact O-N 3.16Å; P349-S352 PolarHBondContact O-OG 3.32Å
350	Q	49.5	Very low	56.5	Low	199 Å²	199	120.6 Å²	120.6	93%	0.93	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-17.1	-170	-61.8	-179.6	1.2	0	0	114.5	P348	P348-Q350 PolarHBondContact O-N 2.66Å
351	G	47.3	Very low	56.6	Low	81 Å²	81	121 Å²	121	84%	0.835	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-14.7	179.4	0	0	0	0	0	115.4	P349	P349-G351 PolarHBondContact O-N 3.43Å
352	S	42.3	Very low	56.4	Low	55 Å²	55	119.6 Å²	119.6	39%	0.385	69%	0.693	S	S	.	*			trans	-99.9	91.4	-177.4	62.4	0	0	0	0	112.5	P349 I354	P349-S352 PolarHBondContact O-N 3.16Å; P349-S352 PolarHBondContact O-OG 3.32Å; S352-I354 PolarHBondContact O-N 3.06Å
353	F	44.8	Very low	56.3	Low	208 Å²	208	115.4 Å²	115.4	91%	0.912	70%	0.697	S	S	*	*			trans	-64.2	95.8	143.6	-84.7	-91.6	0	0	0	106.9	E355	F353-E355 PolarHBondContact O-N 3.38Å
354	I	47.7	Very low	56.8	Low	119 Å²	119	114 Å²	114	61%	0.61	70%	0.7	S	S	*	*			trans	-72.1	93.7	179.8	-56.4	174.9	0	0	0	108.3	S352	S352-I354 PolarHBondContact O-N 3.06Å
355	E	45.2	Very low	57	Low	163 Å²	163	116.7 Å²	116.7	76%	0.762	71%	0.706	S	S	*	*			trans	-59.2	130.4	149.2	-76.4	-164.8	122.4	0	0	108	F353 G357	F353-E355 PolarHBondContact O-N 3.38Å; E355-G357 PolarHBondContact O-N 3.21Å
356	E	45.1	Very low	57	Low	138 Å²	138	115.8 Å²	115.8	65%	0.645	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	94.9	-172.4	-66.9	-179.8	152.4	0	0	110.3
357	G	52.2	Low	57.2	Low	75 Å²	75	116.8 Å²	116.8	77%	0.773	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	156.5	-18	178.1	0	0	0	0	0	116.1	E355	E355-G357 PolarHBondContact O-N 3.21Å
358	M	49.1	Very low	57.6	Low	147 Å²	147	117.5 Å²	117.5	72%	0.724	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-71.3	141.7	177.5	-76.2	-65.9	-179	0	0	112.4
359	P	51.9	Low	58.1	Low	112 Å²	112	120.3 Å²	120.3	73%	0.727	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-67	150.9	176.6	28.8	-34.7	0	0	0	111.8
360	L	56.3	Low	58.8	Low	95 Å²	95	125.8 Å²	125.8	50%	0.497	70%	0.701	S	S	.	*	P	Polyproline II helix	trans	-62.7	153	174.7	-72	167.1	0	0	0	111.5	V364 P366	L360-V364 WeakPolarHBondContact CD1-O 3.23Å; L360-P366 HydrophobicContact CD1-CB 4.49Å; L360-P366 HydrophobicContact CD1-CG 4.37Å
361	P	59.3	Low	60	Low	70 Å²	70	124 Å²	124	46%	0.455	70%	0.695	S	S	.	*	P	Polyproline II helix	trans	-53.8	140.4	173.7	-25.1	34.4	0	0	0	111.7	G363 V364	P361-G363 PolarHBondContact O-N 3.14Å; P361-V364 HydrophobicContact CB-CG2 4.09Å; P361-V364 HydrophobicContact CG-CG2 4.49Å; P361-V364 PolarHBondContact O-N 3.14Å
362	P	54.8	Low	61.3	Low	140 Å²	140	125.3 Å²	125.3	91%	0.909	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.8	123.3	-178.8	-28.5	35.6	0	0	0	112.5
363	G	61.3	Low	62.7	Low	79 Å²	79	126 Å²	126	81%	0.814	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	99.8	-25	-177.2	0	0	0	0	0	115.1	P361 K365	P361-G363 PolarHBondContact O-N 3.14Å; G363-K365 PolarHBondContact O-N 3.2Å
364	V	66.3	Low	63.6	Low	84 Å²	84	123.6 Å²	123.6	51%	0.509	69%	0.688	S	S	.	*			trans	-80.7	110.9	-179	-176.7	0	0	0	0	110.6	L360 P361	L360-V364 WeakPolarHBondContact CD1-O 3.23Å; P361-V364 HydrophobicContact CB-CG2 4.09Å; P361-V364 HydrophobicContact CG-CG2 4.49Å; P361-V364 PolarHBondContact O-N 3.14Å
365	K	71.6	Confident	64.3	Low	187 Å²	187	123.2 Å²	123.2	81%	0.813	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-94.2	143.6	170.7	-66.5	178.7	-178	175.2	0	110.3	G363	G363-K365 PolarHBondContact O-N 3.2Å
366	P	72.5	Confident	64.7	Low	85 Å²	85	117.8 Å²	117.8	55%	0.552	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-69.4	147.3	170.1	31.2	-33.4	0	0	0	110.3	L360	L360-P366 HydrophobicContact CD1-CB 4.49Å; L360-P366 HydrophobicContact CD1-CG 4.37Å
367	H	77.5	Confident	64.8	Low	122 Å²	122	118.8 Å²	118.8	57%	0.565	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-59.3	136.3	173.3	-170.7	-104.7	0	0	0	110.4	E369 R370	H367-E369 IonicContact CE1-OE2 3.6Å; H367-E369 PolarHBondContact CE1-OE2 2.68Å; H367-E369 PolarHBondContact O-N 2.82Å; H367-E369 VanDerWaalsContact O-N 3.11Å; H367-R370 HydrophobicContact CB-CB 4.37Å; H367-R370 VanDerWaalsContact O-CB 3.24Å; H367-R370 WeakPolarHBondContact O-CB 3.23Å; H367-R370 PolarHBondContact O-N 3Å
368	P	78.9	Confident	64.1	Low	126 Å²	126	120.3 Å²	120.3	82%	0.818	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	-33.3	-173.8	-28.7	36.4	0	0	0	114.6	R370	P368-R370 VanDerWaalsContact C-N 3.33Å
369	E	82.1	Confident	64.1	Low	158 Å²	158	117.7 Å²	117.7	74%	0.738	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	2.5	-178.4	-54.7	-178.2	142.8	0	0	113.7	H367 M371	H367-E369 IonicContact CE1-OE2 3.6Å; H367-E369 PolarHBondContact CE1-OE2 2.68Å; H367-E369 PolarHBondContact O-N 2.82Å; H367-E369 VanDerWaalsContact O-N 3.11Å; E369-M371 PolarHBondContact O-N 3.17Å
370	R	78.7	Confident	63.8	Low	199 Å²	199	121.8 Å²	121.8	75%	0.751	68%	0.678	S	S	*	*			trans	-73.8	88.9	-177.3	-171.8	173.8	-178.1	149.6	1.5	110.9	H367 P368	H367-R370 HydrophobicContact CB-CB 4.37Å; H367-R370 VanDerWaalsContact O-CB 3.24Å; H367-R370 WeakPolarHBondContact O-CB 3.23Å; H367-R370 PolarHBondContact O-N 3Å; P368-R370 VanDerWaalsContact C-N 3.33Å
371	M	75.2	Confident	63	Low	162 Å²	162	123 Å²	123	80%	0.798	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-53.7	145.8	179.8	-62.8	-172.5	76.1	0	0	113.1	E369	E369-M371 PolarHBondContact O-N 3.17Å
372	P	74	Confident	62.2	Low	107 Å²	107	129.7 Å²	129.7	70%	0.695	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-64.5	156.3	170.1	29.5	-35.5	0	0	0	111.1
373	P	71.8	Confident	61.7	Low	71 Å²	71	127.2 Å²	127.2	46%	0.461	70%	0.696	S	S	.	*	P	Polyproline II helix	trans	-62.2	140.6	177.3	26.5	-34.2	0	0	0	111.5	L375 V398	P373-L375 PolarHBondContact O-N 2.97Å; P373-V398 HydrophobicContact CB-CG1 3.71Å; P373-V398 HydrophobicContact CB-CG2 4Å; P373-V398 HydrophobicContact CG-CG2 4.17Å
374	L	64.5	Low	61	Low	157 Å²	157	129.6 Å²	129.6	82%	0.822	70%	0.697	S	S	*	*			trans	-63.6	105.7	172.5	-66.9	175.1	0	0	0	109.8
375	L	61.8	Low	60.1	Low	111 Å²	111	133.2 Å²	133.2	58%	0.581	71%	0.712	S	S	*	*			trans	-70	131	168.6	-61	177.4	0	0	0	108.6	P373 L396 V398	P373-L375 PolarHBondContact O-N 2.97Å; L375-L396 HydrophobicContact CD1-CD1 4.39Å; L375-L396 HydrophobicContact CD2-CB 4.23Å; L375-V398 HydrophobicContact CD2-CG2 4.29Å
376	A	53.8	Low	59	Low	48 Å²	48	129.3 Å²	129.3	40%	0.397	70%	0.7	S	S	.	*			trans	-64.1	148.6	171.3	0	0	0	0	0	110.3
377	D	46.2	Very low	57.8	Low	159 Å²	159	129.6 Å²	129.6	85%	0.85	71%	0.71	S	S	*	*			trans	-43.3	136.8	-162.8	-66	-65	0	0	0	115.9
378	S	39.3	Very low	56.3	Low	107 Å²	107	131.5 Å²	131.5	75%	0.748	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-56.2	145.8	173.6	-142.7	0	0	0	0	110.6
379	P	47.7	Very low	54.6	Low	93 Å²	93	131 Å²	131	60%	0.604	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-68.8	152.7	-159.8	27.5	-35.8	0	0	0	113.4
380	K	46.4	Very low	53	Low	198 Å²	198	130.4 Å²	130.4	86%	0.861	72%	0.721	S	S	*	*	S	Bend	trans	-49.4	147.2	163.5	-66	-177.1	178.1	-177.6	0	110.1	R382	K380-R382 PolarHBondContact O-N 3.17Å
381	S	39.8	Very low	51.6	Low	120 Å²	120	126 Å²	126	84%	0.839	72%	0.716	S	S	*	*			trans	-44.6	119.8	-177.8	33.1	0	0	0	0	112.5	C383	S381-C383 PolarHBondContact O-N 3.43Å
382	R	42.7	Very low	50.2	Low	211 Å²	211	129.3 Å²	129.3	80%	0.796	72%	0.72	S	S	*	*			trans	-64.2	133.5	178.1	-69.8	-174.8	177.8	-171.1	-1.4	110.4	K380	K380-R382 PolarHBondContact O-N 3.17Å
383	C	43.2	Very low	48.7	Very low	88 Å²	88	130 Å²	130	60%	0.595	72%	0.724	S	S	*	*			trans	-68.1	144.3	161.5	-68.3	0	0	0	0	109.5	S381 L385	S381-C383 PolarHBondContact O-N 3.43Å; C383-L385 PolarHBondContact O-N 3.27Å
384	P	46.3	Very low	47.6	Very low	129 Å²	129	135.9 Å²	135.9	84%	0.838	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	2	-177.1	-24.8	35.7	0	0	0	116.8
385	L	48.3	Very low	46.8	Very low	160 Å²	160	133.9 Å²	133.9	84%	0.838	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-15.1	-170.1	-73	164.3	0	0	0	114.8	C383 A387	C383-L385 PolarHBondContact O-N 3.27Å; L385-A387 PolarHBondContact O-N 2.86Å; L385-A387 VanDerWaalsContact O-N 3.16Å
386	D	48.6	Very low	46.5	Very low	104 Å²	104	133 Å²	133	56%	0.556	73%	0.734	S	S	*	*			trans	-75.3	3.5	-179.5	-80.9	-51.9	0	0	0	114.6	L388 N389	D386-L388 PolarHBondContact O-N 3.39Å; D386-N389 PolarHBondContact O-N 3.29Å
387	A	46.9	Very low	46.8	Very low	91 Å²	91	134.6 Å²	134.6	75%	0.752	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	0.3	-170.7	0	0	0	0	0	115.9	L385	L385-A387 PolarHBondContact O-N 2.86Å; L385-A387 VanDerWaalsContact O-N 3.16Å
388	L	47.3	Very low	47.5	Very low	162 Å²	162	128.7 Å²	128.7	85%	0.848	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.7	0.8	-177.1	-68.4	173.1	0	0	0	114.6	D386 T390	D386-L388 PolarHBondContact O-N 3.39Å; L388-T390 PolarHBondContact O-N 3.38Å
389	N	42.6	Very low	48.9	Very low	115 Å²	115	132.5 Å²	132.5	62%	0.615	72%	0.72	S	S	*	*			trans	-81.5	109.4	176.6	-100.5	-43.7	0	0	0	111.6	D386 T391	D386-N389 PolarHBondContact O-N 3.29Å; N389-T391 PolarHBondContact O-N 2.97Å
390	T	47.7	Very low	50.1	Low	146 Å²	146	135.8 Å²	135.8	90%	0.896	73%	0.725	S	S	*	*			trans	-78.6	5	179.6	53.1	0	0	0	0	114.4	L388 R392	L388-T390 PolarHBondContact O-N 3.38Å; T390-R392 PolarHBondContact O-N 3.27Å
391	T	48.9	Very low	51.8	Low	106 Å²	106	130.9 Å²	130.9	65%	0.65	72%	0.722	S	S	*	*	S	Bend	trans	-68.5	123.6	174.5	53	0	0	0	0	110.9	N389	N389-T391 PolarHBondContact O-N 2.97Å
392	R	45.6	Very low	53.9	Low	233 Å²	233	134.4 Å²	134.4	88%	0.879	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-49.8	138.5	172.8	-64	-177.6	-178.1	-174.7	0.5	110.3	T390 K394	T390-R392 PolarHBondContact O-N 3.27Å; R392-K394 PolarHBondContact O-N 2.84Å
393	P	43.7	Very low	55.9	Low	120 Å²	120	135.9 Å²	135.9	78%	0.779	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-59.3	129.3	176.2	25.6	-33.7	0	0	0	109.7
394	K	48.5	Very low	58	Low	195 Å²	195	138.3 Å²	138.3	85%	0.848	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-61.3	133.4	170.5	-72	-179.6	176.7	177.2	0	108.4	R392	R392-K394 PolarHBondContact O-N 2.84Å
395	P	48.3	Very low	60.1	Low	116 Å²	116	137.4 Å²	137.4	75%	0.753	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-59.8	142.6	176	24.8	-33.2	0	0	0	110.3	A397	P395-A397 PolarHBondContact O-N 3.22Å; P395-A397 VanDerWaalsContact O-N 3.1Å
396	L	54.3	Low	62.2	Low	91 Å²	91	130.7 Å²	130.7	48%	0.476	69%	0.687	S	S	.	*			trans	-66.1	108.4	177.9	-73.7	166.4	0	0	0	109	L375 V398	L375-L396 HydrophobicContact CD1-CD1 4.39Å; L375-L396 HydrophobicContact CD2-CB 4.23Å; L396-V398 PolarHBondContact O-N 2.72Å
397	A	59.8	Low	64.4	Low	82 Å²	82	128 Å²	128	68%	0.678	67%	0.672	S	S	*	*			trans	-66.2	107.7	-172.6	0	0	0	0	0	112	P395 K399	P395-A397 PolarHBondContact O-N 3.22Å; P395-A397 VanDerWaalsContact O-N 3.1Å; A397-K399 PolarHBondContact O-N 2.99Å; A397-K399 VanDerWaalsContact O-N 3.12Å
398	V	61.7	Low	66.7	Low	35 Å²	35	130.6 Å²	130.6	21%	0.212	66%	0.662	C	S	.	*			trans	-63	109.9	175.8	179.6	0	0	0	0	110	P373 L375 L396 K400	P373-V398 HydrophobicContact CB-CG1 3.71Å; P373-V398 HydrophobicContact CB-CG2 4Å; P373-V398 HydrophobicContact CG-CG2 4.17Å; L375-V398 HydrophobicContact CD2-CG2 4.29Å; L396-V398 PolarHBondContact O-N 2.72Å; V398-K400 HydrophobicContact CG1-CG 4.13Å; V398-K400 PolarHBondContact O-N 2.95Å; V398-K400 VanDerWaalsContact O-N 3.08Å
399	K	67.9	Low	68.9	Low	187 Å²	187	124.8 Å²	124.8	81%	0.813	64%	0.635	S	S	*	*			trans	-76.4	93.9	177.2	-69.6	-176.6	-179.3	176.3	0	110.6	A397	A397-K399 PolarHBondContact O-N 2.99Å; A397-K399 VanDerWaalsContact O-N 3.12Å
400	K	73.5	Confident	71.4	Confident	163 Å²	163	127.1 Å²	127.1	71%	0.709	64%	0.642	S	S	*	*			trans	-80.5	119.4	172.3	-65.5	174.4	-175.9	166.3	0	109.7	V398	V398-K400 HydrophobicContact CG1-CG 4.13Å; V398-K400 PolarHBondContact O-N 2.95Å; V398-K400 VanDerWaalsContact O-N 3.08Å
401	A	81.9	Confident	73.7	Confident	95 Å²	95	123.2 Å²	123.2	79%	0.785	62%	0.621	S	S	*	*			trans	-67.9	145.3	172	0	0	0	0	0	110.5
402	K	83.9	Confident	75.9	Confident	193 Å²	193	127 Å²	127	84%	0.839	62%	0.623	S	S	*	*			trans	-121.3	115.8	177.1	-176.9	175.9	-179.5	176.4	0	110.3
403	W	85.6	Confident	78.3	Confident	243 Å²	243	117 Å²	117	92%	0.92	59%	0.588	S	S	*	*			trans	-68.5	153.1	174.5	-63.2	93.7	0	0	0	112
404	H	87	Confident	80.7	Confident	139 Å²	139	119.2 Å²	119.2	64%	0.644	58%	0.583	S	S	*	*			trans	-140.4	146	173.6	53.4	73.7	0	0	0	110.6	G406	H404-G406 PolarHBondContact ND1-O 3.38Å; H404-G406 VanDerWaalsContact ND1-O 3.14Å
405	L	89.8	Confident	83	Confident	110 Å²	110	113.4 Å²	113.4	58%	0.576	56%	0.561	S	S	*	*	S	Bend	trans	-70	132.1	173.5	-178	68.1	0	0	0	110.4	L467	L405-L467 HydrophobicContact CB-CD1 4.33Å; L405-L467 HydrophobicContact CD2-CD1 4.5Å; L405-L467 HydrophobicContact CD2-CD2 4.23Å; L405-L467 HydrophobicContact CG-CD2 4.31Å; L405-L467 WeakPolarHBondContact O-CD1 3.46Å
406	G	92.7	Very high	85.3	Confident	19 Å²	19	108.7 Å²	108.7	20%	0.196	53%	0.529	C	S	.	.	S	Bend	trans	55.5	-153.5	173	0	0	0	0	0	114.7	H404 L468	H404-G406 PolarHBondContact ND1-O 3.38Å; H404-G406 VanDerWaalsContact ND1-O 3.14Å; G406-L468 WeakPolarHBondContact CA-O 3.44Å
407	I	94.3	Very high	87.4	Confident	47 Å²	47	104.7 Å²	104.7	24%	0.241	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	152	170.6	67.8	178.7	0	0	0	110.2	L467 L468 F470 I552 L555	I407-L467 CarbonylContact O-C 3.55Å; I407-L467 WeakPolarHBondContact O-CA 3.27Å; I407-L468 HydrophobicContact CD1-CD2 4.25Å; I407-L468 HydrophobicContact CG1-CB 3.94Å; I407-L468 HydrophobicContact CG1-CD2 4.43Å; I407-L468 PolarHBondContact N-O 3.22Å; I407-L468 VanDerWaalsContact N-O 3.16Å; I407-L468 PolarHBondContact O-N 3Å; I407-F470 HydrophobicContact CD1-CE2 4.49Å; I407-F470 HydrophobicContact CD1-CZ 4.25Å; I407-F470 HydrophobicContact CG1-CE2 4.08Å; I407-F470 HydrophobicContact CG1-CZ 4.34Å; I407-F470 HydrophobicContact CG2-CE2 4.4Å; I407-I552 HydrophobicContact CG2-CD1 4.17Å; I407-I552 HydrophobicContact CG2-CG1 3.95Å; I407-I552 HydrophobicContact CG2-CG2 4.02Å; I407-L555 HydrophobicContact CD1-CB 4.47Å; I407-L555 HydrophobicContact CD1-CD1 3.98Å
408	R	94.9	Very high	89.2	Confident	146 Å²	146	102.9 Å²	102.9	55%	0.551	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	146.8	-179.5	-63.9	-175.6	-179.2	-157.2	-5.3	111.8	Y466 L467	R408-Y466 CarbonylContact C-O 3.5Å; R408-Y466 VanDerWaalsContact CA-O 3.24Å; R408-Y466 WeakPolarHBondContact CA-O 3.33Å; R408-L467 HydrophobicContact CG-CB 4.28Å; R408-L467 HydrophobicContact CG-CD1 4.33Å; R408-L467 HydrophobicContact CG-CG 4.38Å
409	S	94.4	Very high	90.9	Very high	40 Å²	40	105.2 Å²	105.2	28%	0.28	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	149.3	175.1	-179.4	0	0	0	0	111.5	S411 Y466	S409-S411 PolarHBondContact OG-N 2.57Å; S409-S411 PolarHBondContact OG-OG 3.49Å; S409-Y466 PolarHBondContact N-O 3.07Å; S409-Y466 PolarHBondContact O-N 3.4Å
410	Q	95.4	Very high	92.3	Very high	164 Å²	164	96.4 Å²	96.4	77%	0.766	46%	0.463	S	S	*	.			trans	-101.4	1.6	174.6	-63	-178.6	-4.9	0	0	113.1	R464	Q410-R464 VanDerWaalsContact CA-O 3.3Å; Q410-R464 WeakPolarHBondContact CA-O 3.35Å
411	S	95.1	Very high	93.5	Very high	63 Å²	63	91.6 Å²	91.6	44%	0.441	44%	0.441	S	S	.	.	S	Bend	trans	-67	166.1	172.1	-58.8	0	0	0	0	111.4	S409 I416 Y466	S409-S411 PolarHBondContact OG-N 2.57Å; S409-S411 PolarHBondContact OG-OG 3.49Å; S411-I416 VanDerWaalsContact O-CD1 3.31Å; S411-I416 WeakPolarHBondContact O-CD1 3.31Å; S411-Y466 WeakPolarHBondContact O-CD2 3.21Å
412	R	95.4	Very high	94.2	Very high	186 Å²	186	93.6 Å²	93.6	70%	0.702	43%	0.428	S	S	*	.			trans	-70.8	151.2	179.7	-50.9	170.7	171.6	169.9	-3.5	110	Y414 D415 I416	R412-Y414 VanDerWaalsContact C-N 3.29Å; R412-Y414 PolarHBondContact O-N 3.01Å; R412-D415 WeakPolarHBondContact CB-OD2 3.4Å; R412-D415 WeakPolarHBondContact CD-OD2 3.31Å; R412-D415 WeakPolarHBondContact CG-OD2 3.43Å; R412-D415 PolarHBondContact N-OD2 3.38Å; R412-D415 WeakPolarHBondContact O-CB 3.41Å; R412-D415 PolarHBondContact O-N 3.11Å; R412-I416 WeakPolarHBondContact O-CG1 3.46Å; R412-I416 PolarHBondContact O-N 3.08Å
413	P	95.3	Very high	94.8	Very high	23 Å²	23	84.6 Å²	84.6	15%	0.149	39%	0.39	C	S	.	.	H	α-helix	trans	-54.5	-40.6	-177.4	-30.3	37.5	0	0	0	114.5	I416 M417 Y437 L458 Y466	P413-I416 PolarHBondContact O-N 3.4Å; P413-M417 WeakPolarHBondContact O-CG 3.35Å; P413-M417 PolarHBondContact O-N 3.34Å; P413-Y437 HydrophobicContact CB-CD1 4.37Å; P413-Y437 HydrophobicContact CB-CE1 3.51Å; P413-L458 HydrophobicContact CB-CD2 3.98Å; P413-Y466 HydrophobicContact CG-CD1 4.06Å; P413-Y466 HydrophobicContact CG-CD2 4.27Å; P413-Y466 HydrophobicContact CG-CE1 3.57Å; P413-Y466 HydrophobicContact CG-CE2 3.8Å; P413-Y466 HydrophobicContact CG-CG 4.4Å; P413-Y466 VanDerWaalsContact CG-CZ 3.43Å
414	Y	95.6	Very high	95.4	Very high	167 Å²	167	73 Å²	73	66%	0.655	35%	0.346	S	S	*	.	H	α-helix	trans	-65.8	-38.8	177.6	-62.6	-73.5	0	0	0	112.7	R412 M417 A418 Y437	R412-Y414 VanDerWaalsContact C-N 3.29Å; R412-Y414 PolarHBondContact O-N 3.01Å; Y414-M417 PolarHBondContact O-N 3.37Å; Y414-A418 WeakPolarHBondContact O-CB 3.33Å; Y414-A418 PolarHBondContact O-N 3.03Å; Y414-Y437 PolarHBondContact OH-OH 3.28Å
415	D	96.6	Very high	95.9	Very high	73 Å²	73	73.7 Å²	73.7	39%	0.39	35%	0.347	S	S	.	.	H	α-helix	trans	-67.2	-44.6	177.7	-47.4	-24	0	0	0	109.8	R412 M417 A418 E419	R412-D415 WeakPolarHBondContact CB-OD2 3.4Å; R412-D415 WeakPolarHBondContact CD-OD2 3.31Å; R412-D415 WeakPolarHBondContact CG-OD2 3.43Å; R412-D415 PolarHBondContact N-OD2 3.38Å; R412-D415 WeakPolarHBondContact O-CB 3.41Å; R412-D415 PolarHBondContact O-N 3.11Å; D415-M417 PolarHBondContact O-N 3.07Å; D415-A418 WeakPolarHBondContact O-CB 3.43Å; D415-A418 PolarHBondContact O-N 3.45Å; D415-E419 PolarHBondContact O-N 3.45Å
416	I	96.9	Very high	96.2	Very high	16 Å²	16	74.3 Å²	74.3	8%	0.082	35%	0.347	C	S	.	.	H	α-helix	trans	-58.6	-48.4	175.5	-62.6	167.2	0	0	0	110.8	S411 R412 P413 A418 E419 V420 L458 Y466	S411-I416 VanDerWaalsContact O-CD1 3.31Å; S411-I416 WeakPolarHBondContact O-CD1 3.31Å; R412-I416 WeakPolarHBondContact O-CG1 3.46Å; R412-I416 PolarHBondContact O-N 3.08Å; P413-I416 PolarHBondContact O-N 3.4Å; I416-A418 VanDerWaalsContact C-N 3.3Å; I416-A418 PolarHBondContact O-N 2.93Å; I416-E419 PolarHBondContact O-N 2.94Å; I416-V420 WeakPolarHBondContact O-CG2 3.41Å; I416-V420 PolarHBondContact O-N 3.43Å; I416-L458 HydrophobicContact CB-CD2 4.38Å; I416-L458 HydrophobicContact CD1-CD1 4.44Å; I416-L458 HydrophobicContact CG2-CD1 3.8Å; I416-L458 HydrophobicContact CG2-CD2 4.32Å; I416-Y466 HydrophobicContact CD1-CD2 3.91Å; I416-Y466 HydrophobicContact CD1-CG 4.16Å
417	M	97.9	Very high	96.4	Very high	7 Å²	7	75.8 Å²	75.8	3%	0.034	35%	0.35	C	S	.	.	H	α-helix	trans	-65.4	-34	178.6	-66	-54.2	-63.3	0	0	112	P413 Y414 D415 V420 Y421 Y437 L439 L458	P413-M417 WeakPolarHBondContact O-CG 3.35Å; P413-M417 PolarHBondContact O-N 3.34Å; Y414-M417 PolarHBondContact O-N 3.37Å; D415-M417 PolarHBondContact O-N 3.07Å; M417-V420 PolarHBondContact O-N 2.95Å; M417-Y421 HydrophobicContact CB-CE2 4.16Å; M417-Y421 WeakPolarHBondContact O-CD2 3.29Å; M417-Y421 PolarHBondContact O-N 3.47Å; M417-Y437 HydrophobicContact CG-CD1 3.88Å; M417-Y437 HydrophobicContact CG-CE1 4.31Å; M417-Y437 HydrophobicContact SD-CD1 4.44Å; M417-L439 HydrophobicContact CE-CD1 3.67Å; M417-L439 HydrophobicContact CE-CD2 4.21Å; M417-L439 HydrophobicContact CE-CG 3.86Å; M417-L458 HydrophobicContact CG-CD2 4.22Å; M417-L458 HydrophobicContact SD-CB 3.99Å; M417-L458 HydrophobicContact SD-CD2 4.12Å
418	A	97.3	Very high	96.5	Very high	44 Å²	44	80.5 Å²	80.5	36%	0.364	38%	0.376	S	S	.	.	H	α-helix	trans	-63.2	-42.1	174	0	0	0	0	0	112.3	Y414 D415 I416 Y421 R422	Y414-A418 WeakPolarHBondContact O-CB 3.33Å; Y414-A418 PolarHBondContact O-N 3.03Å; D415-A418 WeakPolarHBondContact O-CB 3.43Å; D415-A418 PolarHBondContact O-N 3.45Å; I416-A418 VanDerWaalsContact C-N 3.3Å; I416-A418 PolarHBondContact O-N 2.93Å; A418-Y421 PolarHBondContact O-N 2.96Å; A418-R422 PolarHBondContact O-N 3.25Å
419	E	97.3	Very high	96.6	Very high	85 Å²	85	74.1 Å²	74.1	40%	0.397	35%	0.352	S	S	.	.	H	α-helix	trans	-62.2	-42.9	171.8	-63.7	-45	126.8	0	0	112	D415 I416 Y421 R422 A423 L555	D415-E419 PolarHBondContact O-N 3.45Å; I416-E419 PolarHBondContact O-N 2.94Å; E419-Y421 PolarHBondContact O-N 3.01Å; E419-R422 PolarHBondContact O-N 2.77Å; E419-R422 IonicContact OE1-CZ 2.68Å; E419-R422 IonicContact OE1-NH1 2.96Å; E419-R422 PolarHBondContact OE1-NH1 2.86Å; E419-R422 IonicContact OE1-NH2 3.24Å; E419-R422 IonicContact OE2-CZ 2.79Å; E419-R422 IonicContact OE2-NH1 3.74Å; E419-R422 PolarHBondContact OE2-NH1 3.26Å; E419-A423 WeakPolarHBondContact O-CB 3.39Å; E419-A423 PolarHBondContact O-N 3.3Å; E419-L555 HydrophobicContact CB-CD2 3.84Å
420	V	97.6	Very high	96.7	Very high	1 Å²	1	76.3 Å²	76.3	1%	0.006	36%	0.361	C	S	.	.	H	α-helix	trans	-59.4	-45.3	175.6	174.3	0	0	0	0	111.6	I416 M417 R422 A423 M424 L439 L456 L468 L555	I416-V420 WeakPolarHBondContact O-CG2 3.41Å; I416-V420 PolarHBondContact O-N 3.43Å; M417-V420 PolarHBondContact O-N 2.95Å; V420-R422 PolarHBondContact O-N 2.94Å; V420-A423 PolarHBondContact O-N 3.38Å; V420-M424 HydrophobicContact CG1-CE 4.12Å; V420-M424 HydrophobicContact CG1-CG 4.43Å; V420-M424 HydrophobicContact CG1-SD 4.24Å; V420-M424 WeakPolarHBondContact O-CB 3.43Å; V420-M424 VanDerWaalsContact O-CG 3.27Å; V420-M424 WeakPolarHBondContact O-CG 3.31Å; V420-M424 PolarHBondContact O-N 3.1Å; V420-L439 HydrophobicContact CG1-CD1 3.72Å; V420-L456 HydrophobicContact CG1-CD1 3.81Å; V420-L468 HydrophobicContact CG2-CD1 4.48Å; V420-L468 HydrophobicContact CG2-CD2 3.62Å; V420-L555 HydrophobicContact CG2-CD1 4.11Å; V420-L555 HydrophobicContact CG2-CD2 4.24Å
421	Y	97.8	Very high	96.8	Very high	63 Å²	63	73 Å²	73	25%	0.247	34%	0.341	C	S	.	.	H	α-helix	trans	-63.3	-39.1	174.7	-66.3	-57.2	0	0	0	112.8	M417 A418 E419 M424 K425 W431 V433 L439	M417-Y421 HydrophobicContact CB-CE2 4.16Å; M417-Y421 WeakPolarHBondContact O-CD2 3.29Å; M417-Y421 PolarHBondContact O-N 3.47Å; A418-Y421 PolarHBondContact O-N 2.96Å; E419-Y421 PolarHBondContact O-N 3.01Å; Y421-M424 HydrophobicContact CD1-CE 3.6Å; Y421-M424 HydrophobicContact CE1-CE 4.2Å; Y421-M424 HydrophobicContact CG-CE 4.48Å; Y421-K425 WeakPolarHBondContact O-CB 3.42Å; Y421-K425 PolarHBondContact O-N 3.03Å; Y421-K425 VanDerWaalsContact O-N 3.08Å; Y421-W431 AromaticContact CD1-CE2 3.79Å; Y421-W431 HydrophobicContact CD1-CZ2 4.06Å; Y421-W431 AromaticContact CD1-NE1 3.46Å; Y421-W431 AromaticContact CE1-CD1 3.91Å; Y421-W431 AromaticContact CE1-NE1 3.51Å; Y421-V433 HydrophobicContact CE1-CG2 4.14Å; Y421-L439 HydrophobicContact CE1-CD1 4.14Å; Y421-L439 HydrophobicContact CE1-CD2 3.64Å
422	R	97.3	Very high	96.9	Very high	136 Å²	136	77.1 Å²	77.1	51%	0.513	35%	0.351	S	S	.	.	H	α-helix	trans	-65	-47.7	177.2	-173.8	-173.6	-70.8	95.9	-9.7	111.3	A418 E419 V420 K425 Q426	A418-R422 PolarHBondContact O-N 3.25Å; E419-R422 PolarHBondContact O-N 2.77Å; E419-R422 IonicContact OE1-CZ 2.68Å; E419-R422 IonicContact OE1-NH1 2.96Å; E419-R422 PolarHBondContact OE1-NH1 2.86Å; E419-R422 IonicContact OE1-NH2 3.24Å; E419-R422 IonicContact OE2-CZ 2.79Å; E419-R422 IonicContact OE2-NH1 3.74Å; E419-R422 PolarHBondContact OE2-NH1 3.26Å; V420-R422 PolarHBondContact O-N 2.94Å; R422-K425 PolarHBondContact O-N 2.85Å; R422-Q426 PolarHBondContact O-N 3.28Å
423	A	97.8	Very high	96.9	Very high	4 Å²	4	71.7 Å²	71.7	3%	0.033	34%	0.339	C	S	.	.	H	α-helix	trans	-65.3	-44.5	-179.6	0	0	0	0	0	112.3	E419 V420 K425 Q426 L427 L551 T554 L555	E419-A423 WeakPolarHBondContact O-CB 3.39Å; E419-A423 PolarHBondContact O-N 3.3Å; V420-A423 PolarHBondContact O-N 3.38Å; A423-K425 VanDerWaalsContact C-N 3.32Å; A423-K425 PolarHBondContact O-N 3.4Å; A423-Q426 PolarHBondContact O-N 2.82Å; A423-L427 WeakPolarHBondContact O-CG 3.47Å; A423-L427 PolarHBondContact O-N 3.41Å; A423-L551 HydrophobicContact CB-CD1 3.61Å; A423-T554 HydrophobicContact CB-CG2 3.66Å; A423-L555 HydrophobicContact CB-CD2 3.76Å; A423-L555 HydrophobicContact CB-CG 3.95Å
424	M	97.5	Very high	96.8	Very high	0 Å²	0	74.3 Å²	74.3	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-60	-40.6	173.6	-71.5	-172.3	-52.1	0	0	112.3	V420 Y421 L427 N428 F429 W431 L439 V441 L456 L551	V420-M424 HydrophobicContact CG1-CE 4.12Å; V420-M424 HydrophobicContact CG1-CG 4.43Å; V420-M424 HydrophobicContact CG1-SD 4.24Å; V420-M424 WeakPolarHBondContact O-CB 3.43Å; V420-M424 VanDerWaalsContact O-CG 3.27Å; V420-M424 WeakPolarHBondContact O-CG 3.31Å; V420-M424 PolarHBondContact O-N 3.1Å; Y421-M424 HydrophobicContact CD1-CE 3.6Å; Y421-M424 HydrophobicContact CE1-CE 4.2Å; Y421-M424 HydrophobicContact CG-CE 4.48Å; M424-L427 PolarHBondContact O-N 3.37Å; M424-N428 PolarHBondContact O-N 2.67Å; M424-F429 HydrophobicContact CB-CB 4.3Å; M424-F429 HydrophobicContact CG-CD2 4.32Å; M424-F429 PolarHBondContact O-N 2.99Å; M424-W431 HydrophobicContact CB-CE3 3.74Å; M424-W431 HydrophobicContact CB-CZ3 3.73Å; M424-W431 HydrophobicContact CE-CB 4.05Å; M424-W431 HydrophobicContact CE-CD2 3.41Å; M424-W431 VanDerWaalsContact CE-CD2 3.41Å; M424-W431 HydrophobicContact CE-CE3 3.7Å; M424-W431 HydrophobicContact CE-CG 3.56Å; M424-W431 HydrophobicContact CE-CZ2 4.45Å; M424-W431 HydrophobicContact CE-CZ3 4.34Å; M424-W431 HydrophobicContact SD-CB 4.12Å; M424-W431 HydrophobicContact SD-CD2 4.25Å; M424-W431 HydrophobicContact SD-CE3 4.16Å; M424-W431 HydrophobicContact SD-CG 4.24Å; M424-L439 HydrophobicContact CE-CD1 3.69Å; M424-L439 HydrophobicContact SD-CD1 4.15Å; M424-V441 HydrophobicContact CG-CG1 4.39Å; M424-V441 HydrophobicContact SD-CB 4.3Å; M424-V441 HydrophobicContact SD-CG1 3.69Å; M424-V441 HydrophobicContact SD-CG2 3.54Å; M424-V441 VanDerWaalsContact SD-CG2 3.54Å; M424-L456 HydrophobicContact SD-CD1 4.12Å; M424-L551 HydrophobicContact CG-CD1 4.09Å; M424-L551 HydrophobicContact CG-CD2 4.35Å
425	K	96.9	Very high	96.6	Very high	153 Å²	153	69.3 Å²	69.3	67%	0.665	34%	0.339	S	S	*	.	H	α-helix	trans	-64.1	-42.6	176	-168.1	-179.4	179.5	-177	0	111.8	Y421 R422 A423 L427 N428 W431	Y421-K425 WeakPolarHBondContact O-CB 3.42Å; Y421-K425 PolarHBondContact O-N 3.03Å; Y421-K425 VanDerWaalsContact O-N 3.08Å; R422-K425 PolarHBondContact O-N 2.85Å; A423-K425 VanDerWaalsContact C-N 3.32Å; A423-K425 PolarHBondContact O-N 3.4Å; K425-L427 VanDerWaalsContact C-N 3.27Å; K425-L427 PolarHBondContact O-N 2.93Å; K425-N428 PolarHBondContact O-N 3.29Å; K425-W431 HydrophobicContact CB-CH2 3.99Å; K425-W431 HydrophobicContact CB-CZ3 4.38Å
426	Q	97	Very high	96.6	Very high	124 Å²	124	69.8 Å²	69.8	58%	0.579	35%	0.346	S	S	*	.	H	α-helix	trans	-63.5	-32.6	177.1	-179.8	174.1	-5.9	0	0	112.6	R422 A423 N428	R422-Q426 PolarHBondContact O-N 3.28Å; A423-Q426 PolarHBondContact O-N 2.82Å; Q426-N428 VanDerWaalsContact C-N 3.33Å
427	L	96.1	Very high	96.6	Very high	50 Å²	50	72.1 Å²	72.1	26%	0.262	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	2.2	177.6	-65.7	169.5	0	0	0	114	A423 M424 K425 F429 L551	A423-L427 WeakPolarHBondContact O-CG 3.47Å; A423-L427 PolarHBondContact O-N 3.41Å; M424-L427 PolarHBondContact O-N 3.37Å; K425-L427 VanDerWaalsContact C-N 3.27Å; K425-L427 PolarHBondContact O-N 2.93Å; L427-F429 VanDerWaalsContact C-N 3.3Å; L427-F429 HydrophobicContact CB-CD1 3.8Å; L427-F429 HydrophobicContact CB-CD2 4.41Å; L427-F429 HydrophobicContact CB-CE1 3.63Å; L427-F429 HydrophobicContact CB-CE2 4.29Å; L427-F429 HydrophobicContact CB-CG 4.19Å; L427-F429 HydrophobicContact CB-CZ 3.9Å; L427-F429 HydrophobicContact CD1-CE1 4.46Å; L427-F429 HydrophobicContact CD1-CE2 3.95Å; L427-F429 HydrophobicContact CD1-CZ 3.87Å; L427-F429 HydrophobicContact CG-CZ 4.45Å; L427-F429 VanDerWaalsContact O-CD1 3.32Å; L427-F429 WeakPolarHBondContact O-CD1 3.45Å; L427-F429 PolarHBondContact O-N 3.45Å; L427-L551 HydrophobicContact CD1-CB 4.21Å; L427-L551 HydrophobicContact CD1-CD1 4.11Å
428	N	95.6	Very high	96.5	Very high	146 Å²	146	73.4 Å²	73.4	78%	0.781	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	42.8	-174.5	-59.5	-57.5	0	0	0	113.5	M424 K425 Q426	M424-N428 PolarHBondContact O-N 2.67Å; K425-N428 PolarHBondContact O-N 3.29Å; Q426-N428 VanDerWaalsContact C-N 3.33Å
429	F	97.3	Very high	96.5	Very high	12 Å²	12	71.3 Å²	71.3	5%	0.053	34%	0.343	C	S	.	.			trans	-85.9	144.3	172.2	-65.2	-2.7	0	0	0	110.6	M424 L427 W431 V441 R443 M547 L551	M424-F429 HydrophobicContact CB-CB 4.3Å; M424-F429 HydrophobicContact CG-CD2 4.32Å; M424-F429 PolarHBondContact O-N 2.99Å; L427-F429 VanDerWaalsContact C-N 3.3Å; L427-F429 HydrophobicContact CB-CD1 3.8Å; L427-F429 HydrophobicContact CB-CD2 4.41Å; L427-F429 HydrophobicContact CB-CE1 3.63Å; L427-F429 HydrophobicContact CB-CE2 4.29Å; L427-F429 HydrophobicContact CB-CG 4.19Å; L427-F429 HydrophobicContact CB-CZ 3.9Å; L427-F429 HydrophobicContact CD1-CE1 4.46Å; L427-F429 HydrophobicContact CD1-CE2 3.95Å; L427-F429 HydrophobicContact CD1-CZ 3.87Å; L427-F429 HydrophobicContact CG-CZ 4.45Å; L427-F429 VanDerWaalsContact O-CD1 3.32Å; L427-F429 WeakPolarHBondContact O-CD1 3.45Å; L427-F429 PolarHBondContact O-N 3.45Å; F429-W431 VanDerWaalsContact O-CZ3 3.26Å; F429-W431 WeakPolarHBondContact O-CZ3 3.32Å; F429-V441 HydrophobicContact CB-CG1 3.84Å; F429-V441 HydrophobicContact CD2-CG1 3.82Å; F429-V441 HydrophobicContact CG-CG1 4.25Å; F429-R443 HydrophobicContact CD1-CB 4.02Å; F429-R443 HydrophobicContact CD1-CG 4Å; F429-R443 HydrophobicContact CE1-CB 4.07Å; F429-R443 HydrophobicContact CE1-CG 3.75Å; F429-M547 HydrophobicContact CD2-CE 3.71Å; F429-M547 HydrophobicContact CE1-CG 4.45Å; F429-M547 HydrophobicContact CE2-CE 3.83Å; F429-M547 HydrophobicContact CE2-CG 3.73Å; F429-M547 HydrophobicContact CG-CE 4.16Å; F429-M547 HydrophobicContact CZ-CE 4.4Å; F429-M547 HydrophobicContact CZ-CG 3.68Å; F429-L551 HydrophobicContact CE2-CB 4.38Å
430	D	96.8	Very high	96.4	Very high	85 Å²	85	71.3 Å²	71.3	46%	0.455	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	148.2	163.9	-68.5	-42.9	0	0	0	109.5	V441 R442	D430-V441 CarbonylContact O-C 3.51Å; D430-V441 WeakPolarHBondContact O-CA 3.26Å; D430-V441 WeakPolarHBondContact O-CG1 3.21Å; D430-R442 HydrophobicContact CB-CB 4.18Å; D430-R442 PolarHBondContact N-O 2.88Å; D430-R442 PolarHBondContact O-N 3.47Å; D430-R442 IonicContact OD2-CZ 3.16Å; D430-R442 VanDerWaalsContact OD2-CZ 3.24Å; D430-R442 IonicContact OD2-NE 2.89Å; D430-R442 PolarHBondContact OD2-NE 3.35Å; D430-R442 IonicContact OD2-NH2 2.69Å; D430-R442 PolarHBondContact OD2-NH2 3.5Å
431	W	97.7	Very high	96.4	Very high	94 Å²	94	71.4 Å²	71.4	36%	0.356	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	152.4	165.9	64.4	92.1	0	0	0	113.7	Y421 M424 K425 F429 R440 V441	Y421-W431 AromaticContact CD1-CE2 3.79Å; Y421-W431 HydrophobicContact CD1-CZ2 4.06Å; Y421-W431 AromaticContact CD1-NE1 3.46Å; Y421-W431 AromaticContact CE1-CD1 3.91Å; Y421-W431 AromaticContact CE1-NE1 3.51Å; M424-W431 HydrophobicContact CB-CE3 3.74Å; M424-W431 HydrophobicContact CB-CZ3 3.73Å; M424-W431 HydrophobicContact CE-CB 4.05Å; M424-W431 HydrophobicContact CE-CD2 3.41Å; M424-W431 VanDerWaalsContact CE-CD2 3.41Å; M424-W431 HydrophobicContact CE-CE3 3.7Å; M424-W431 HydrophobicContact CE-CG 3.56Å; M424-W431 HydrophobicContact CE-CZ2 4.45Å; M424-W431 HydrophobicContact CE-CZ3 4.34Å; M424-W431 HydrophobicContact SD-CB 4.12Å; M424-W431 HydrophobicContact SD-CD2 4.25Å; M424-W431 HydrophobicContact SD-CE3 4.16Å; M424-W431 HydrophobicContact SD-CG 4.24Å; K425-W431 HydrophobicContact CB-CH2 3.99Å; K425-W431 HydrophobicContact CB-CZ3 4.38Å; F429-W431 VanDerWaalsContact O-CZ3 3.26Å; F429-W431 WeakPolarHBondContact O-CZ3 3.32Å; W431-R440 CarbonylContact C-O 3.51Å; W431-R440 WeakPolarHBondContact CA-O 2.95Å; W431-V441 HydrophobicContact CB-CG1 4.46Å; W431-V441 HydrophobicContact CB-CG2 4.3Å
432	K	97.3	Very high	96.3	Very high	151 Å²	151	73.4 Å²	73.4	66%	0.657	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.5	166.8	-178.5	175.5	179.2	179.1	0	108.9	R440	K432-R440 PolarHBondContact N-O 2.98Å; K432-R440 PolarHBondContact O-N 3.32Å
433	V	95.9	Very high	96.2	Very high	71 Å²	71	69 Å²	69	43%	0.43	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	126.3	171	-173.6	0	0	0	0	108.6	Y421 N435 L439	Y421-V433 HydrophobicContact CE1-CG2 4.14Å; V433-N435 VanDerWaalsContact CG1-O 3.27Å; V433-N435 WeakPolarHBondContact CG1-O 3.27Å; V433-L439 HydrophobicContact CB-CD2 4.32Å; V433-L439 HydrophobicContact CG1-CD2 4.34Å; V433-L439 HydrophobicContact CG2-CD2 3.91Å
434	V	91.9	Very high	95.9	Very high	78 Å²	78	75.5 Å²	75.5	47%	0.473	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-42.9	175	-177	0	0	0	0	109.8	H438 R440	V434-H438 HydrophobicContact CB-CB 4.21Å; V434-H438 WeakPolarHBondContact CB-ND1 3.5Å; V434-H438 WeakPolarHBondContact CG1-ND1 3.35Å; V434-H438 PolarHBondContact N-O 3.48Å; V434-R440 HydrophobicContact CG2-CG 4Å
435	N	92.5	Very high	95.5	Very high	63 Å²	63	76 Å²	76	34%	0.337	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	172.3	165.3	76.1	61.6	0	0	0	108.7	V433 Y437 H438	V433-N435 VanDerWaalsContact CG1-O 3.27Å; V433-N435 WeakPolarHBondContact CG1-O 3.27Å; N435-Y437 PolarHBondContact O-N 2.83Å; N435-Y437 PolarHBondContact OD1-N 2.95Å; N435-H438 HydrophobicContact CB-CB 4.48Å; N435-H438 PolarHBondContact N-O 2.86Å; N435-H438 WeakPolarHBondContact ND2-CB 3.37Å; N435-H438 PolarHBondContact O-N 2.8Å; N435-H438 PolarHBondContact OD1-N 3.22Å
436	P	95.6	Very high	95.1	Very high	83 Å²	83	73.7 Å²	73.7	54%	0.539	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-19.1	-174.7	-28.5	36.8	0	0	0	116.2
437	Y	96.5	Very high	94.7	Very high	64 Å²	64	74.1 Å²	74.1	25%	0.251	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	8.6	-179.3	-57.4	-56.9	0	0	0	113.1	P413 Y414 M417 N435 Q457 L458	P413-Y437 HydrophobicContact CB-CD1 4.37Å; P413-Y437 HydrophobicContact CB-CE1 3.51Å; Y414-Y437 PolarHBondContact OH-OH 3.28Å; M417-Y437 HydrophobicContact CG-CD1 3.88Å; M417-Y437 HydrophobicContact CG-CE1 4.31Å; M417-Y437 HydrophobicContact SD-CD1 4.44Å; N435-Y437 PolarHBondContact O-N 2.83Å; N435-Y437 PolarHBondContact OD1-N 2.95Å; Y437-Q457 WeakPolarHBondContact O-CA 3.43Å; Y437-Q457 PolarHBondContact O-NE2 2.64Å; Y437-Q457 VanDerWaalsContact O-NE2 3.08Å; Y437-L458 HydrophobicContact CD1-CB 4.46Å; Y437-L458 HydrophobicContact CD1-CD2 3.99Å; Y437-L458 HydrophobicContact CE1-CD2 4.46Å; Y437-L458 PolarHBondContact O-N 3.43Å
438	H	96.3	Very high	94.3	Very high	35 Å²	35	73.3 Å²	73.3	16%	0.162	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	121.3	-176.9	-172.6	-155.7	0	0	0	111.9	V434 N435 S455 L456 Q457	V434-H438 HydrophobicContact CB-CB 4.21Å; V434-H438 WeakPolarHBondContact CB-ND1 3.5Å; V434-H438 WeakPolarHBondContact CG1-ND1 3.35Å; V434-H438 PolarHBondContact N-O 3.48Å; N435-H438 HydrophobicContact CB-CB 4.48Å; N435-H438 PolarHBondContact N-O 2.86Å; N435-H438 WeakPolarHBondContact ND2-CB 3.37Å; N435-H438 PolarHBondContact O-N 2.8Å; N435-H438 PolarHBondContact OD1-N 3.22Å; H438-S455 PolarHBondContact CD2-OG 2.97Å; H438-S455 PolarHBondContact NE2-OG 3.49Å; H438-L456 WeakPolarHBondContact CA-O 3.39Å; H438-L456 PolarHBondContact CD2-O 3.4Å; H438-Q457 VanDerWaalsContact CB-OE1 3.29Å
439	L	96.9	Very high	93.9	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.3	-177.9	-50.1	172.4	0	0	0	109.8	M417 V420 Y421 M424 V433 V441 S455 L456	M417-L439 HydrophobicContact CE-CD1 3.67Å; M417-L439 HydrophobicContact CE-CD2 4.21Å; M417-L439 HydrophobicContact CE-CG 3.86Å; V420-L439 HydrophobicContact CG1-CD1 3.72Å; Y421-L439 HydrophobicContact CE1-CD1 4.14Å; Y421-L439 HydrophobicContact CE1-CD2 3.64Å; M424-L439 HydrophobicContact CE-CD1 3.69Å; M424-L439 HydrophobicContact SD-CD1 4.15Å; V433-L439 HydrophobicContact CB-CD2 4.32Å; V433-L439 HydrophobicContact CG1-CD2 4.34Å; V433-L439 HydrophobicContact CG2-CD2 3.91Å; L439-V441 HydrophobicContact CB-CG2 4Å; L439-S455 CarbonylContact O-C 3.51Å; L439-S455 WeakPolarHBondContact O-CA 3.47Å; L439-L456 HydrophobicContact CB-CB 4.23Å; L439-L456 HydrophobicContact CD1-CB 4.48Å; L439-L456 HydrophobicContact CD1-CD1 4.21Å; L439-L456 PolarHBondContact N-O 3.15Å; L439-L456 PolarHBondContact O-N 3.35Å
440	R	96.8	Very high	93.4	Very high	85 Å²	85	68.6 Å²	68.6	32%	0.321	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	117.9	159.4	-71.4	-174.4	175.9	-157.2	-3.8	107.9	W431 K432 V434 M454 I473	W431-R440 CarbonylContact C-O 3.51Å; W431-R440 WeakPolarHBondContact CA-O 2.95Å; K432-R440 PolarHBondContact N-O 2.98Å; K432-R440 PolarHBondContact O-N 3.32Å; V434-R440 HydrophobicContact CG2-CG 4Å; R440-M454 WeakPolarHBondContact CA-O 3.38Å; R440-I473 HydrophobicContact CB-CD1 4.48Å; R440-I473 HydrophobicContact CG-CD1 4.02Å
441	V	96.9	Very high	93	Very high	2 Å²	2	68.1 Å²	68.1	1%	0.012	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	143.9	-172	-166.3	0	0	0	0	109	M424 F429 D430 W431 L439 K453 M454 L456 M547	M424-V441 HydrophobicContact CG-CG1 4.39Å; M424-V441 HydrophobicContact SD-CB 4.3Å; M424-V441 HydrophobicContact SD-CG1 3.69Å; M424-V441 HydrophobicContact SD-CG2 3.54Å; M424-V441 VanDerWaalsContact SD-CG2 3.54Å; F429-V441 HydrophobicContact CB-CG1 3.84Å; F429-V441 HydrophobicContact CD2-CG1 3.82Å; F429-V441 HydrophobicContact CG-CG1 4.25Å; D430-V441 CarbonylContact O-C 3.51Å; D430-V441 WeakPolarHBondContact O-CA 3.26Å; D430-V441 WeakPolarHBondContact O-CG1 3.21Å; W431-V441 HydrophobicContact CB-CG1 4.46Å; W431-V441 HydrophobicContact CB-CG2 4.3Å; L439-V441 HydrophobicContact CB-CG2 4Å; V441-K453 WeakPolarHBondContact O-CA 3.36Å; V441-M454 HydrophobicContact CB-CG 3.95Å; V441-M454 HydrophobicContact CG2-CG 4.45Å; V441-M454 PolarHBondContact N-O 2.74Å; V441-M454 PolarHBondContact O-N 2.62Å; V441-L456 HydrophobicContact CG2-CD1 3.69Å; V441-L456 HydrophobicContact CG2-CG 3.94Å; V441-M547 HydrophobicContact CB-CE 4.01Å; V441-M547 HydrophobicContact CG1-CE 3.55Å
442	R	95.9	Very high	92.7	Very high	106 Å²	106	63.7 Å²	63.7	40%	0.4	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	136.5	179.9	178.6	-176.6	71.7	-179.3	1	111	D430 L451 V452 K453	D430-R442 HydrophobicContact CB-CB 4.18Å; D430-R442 PolarHBondContact N-O 2.88Å; D430-R442 PolarHBondContact O-N 3.47Å; D430-R442 IonicContact OD2-CZ 3.16Å; D430-R442 VanDerWaalsContact OD2-CZ 3.24Å; D430-R442 IonicContact OD2-NE 2.89Å; D430-R442 PolarHBondContact OD2-NE 3.35Å; D430-R442 IonicContact OD2-NH2 2.69Å; D430-R442 PolarHBondContact OD2-NH2 3.5Å; R442-L451 HydrophobicContact CG-CD2 4.32Å; R442-V452 CarbonylContact C-O 3.55Å; R442-V452 VanDerWaalsContact CA-O 3.27Å; R442-V452 WeakPolarHBondContact CA-O 3.2Å; R442-K453 HydrophobicContact CB-CG 4.41Å; R442-K453 HydrophobicContact CG-CG 4.26Å
443	R	94.1	Very high	92.6	Very high	43 Å²	43	59.1 Å²	59.1	16%	0.162	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	148.6	172.2	179.6	-171.9	-179.1	-150.7	1.8	108.4	F429 V452 E546 M547	F429-R443 HydrophobicContact CD1-CB 4.02Å; F429-R443 HydrophobicContact CD1-CG 4Å; F429-R443 HydrophobicContact CE1-CB 4.07Å; F429-R443 HydrophobicContact CE1-CG 3.75Å; R443-V452 PolarHBondContact N-O 3.25Å; R443-V452 PolarHBondContact O-N 3.38Å; R443-E546 IonicContact NH1-OE2 3.72Å; R443-M547 HydrophobicContact CB-CE 3.75Å; R443-M547 HydrophobicContact CB-CG 4.13Å; R443-M547 HydrophobicContact CB-SD 3.69Å
444	K	92	Very high	92.5	Very high	141 Å²	141	55.8 Å²	55.8	61%	0.613	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	125.6	160.1	-166.5	179.3	-177.8	-178	0	108.5	G449 N450 L451	K444-G449 WeakPolarHBondContact CE-O 3.16Å; K444-G449 WeakPolarHBondContact CG-O 3.3Å; K444-N450 CarbonylContact C-O 3.56Å; K444-N450 WeakPolarHBondContact CA-O 3.37Å; K444-L451 HydrophobicContact CB-CD2 4.02Å; K444-L451 HydrophobicContact CG-CD2 4.15Å
445	N	89.4	Confident	92.7	Very high	10 Å²	10	52.8 Å²	52.8	5%	0.053	28%	0.275	C	S	.	.			trans	-65.1	124.3	170.7	-178.3	-38	0	0	0	108	V447 T448 G449 N450 V452 D543	N445-V447 VanDerWaalsContact C-N 3.29Å; N445-V447 PolarHBondContact O-N 3.28Å; N445-V447 WeakPolarHBondContact OD1-CA 3.48Å; N445-V447 WeakPolarHBondContact OD1-CB 3.42Å; N445-V447 PolarHBondContact OD1-N 3.12Å; N445-T448 WeakPolarHBondContact CB-OG1 3.5Å; N445-T448 PolarHBondContact ND2-OG1 2.8Å; N445-T448 PolarHBondContact OD1-N 3.07Å; N445-G449 WeakPolarHBondContact O-CA 3.43Å; N445-G449 PolarHBondContact O-N 3.21Å; N445-N450 HydrophobicContact CB-CB 4.32Å; N445-N450 PolarHBondContact N-O 3.19Å; N445-V452 HydrophobicContact CB-CG2 4.47Å; N445-D543 PolarHBondContact ND2-OD1 3.24Å
446	P	87.4	Confident	93	Very high	105 Å²	105	49.9 Å²	49.9	68%	0.682	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-16.9	-176.6	30.7	-35.8	0	0	0	114
447	V	89	Confident	93	Very high	132 Å²	132	47.5 Å²	47.5	80%	0.8	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-55.2	-179.6	-175.9	0	0	0	0	110.9	N445	N445-V447 VanDerWaalsContact C-N 3.29Å; N445-V447 PolarHBondContact O-N 3.28Å; N445-V447 WeakPolarHBondContact OD1-CA 3.48Å; N445-V447 WeakPolarHBondContact OD1-CB 3.42Å; N445-V447 PolarHBondContact OD1-N 3.12Å
448	T	88.2	Confident	93	Very high	34 Å²	34	45 Å²	45	21%	0.209	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-16.6	-176.1	61.7	0	0	0	0	113.2	N445 N450 Q537	N445-T448 WeakPolarHBondContact CB-OG1 3.5Å; N445-T448 PolarHBondContact ND2-OG1 2.8Å; N445-T448 PolarHBondContact OD1-N 3.07Å; T448-N450 PolarHBondContact O-N 2.88Å; T448-N450 WeakPolarHBondContact OG1-CB 3.35Å; T448-N450 PolarHBondContact OG1-N 3.19Å; T448-N450 PolarHBondContact OG1-ND2 3.12Å; T448-Q537 WeakPolarHBondContact CB-O 3.28Å; T448-Q537 HydrophobicContact CG2-CB 4.31Å; T448-Q537 VanDerWaalsContact CG2-O 3.31Å; T448-Q537 WeakPolarHBondContact CG2-O 3.46Å
449	G	86.3	Confident	93	Very high	34 Å²	34	46.6 Å²	46.6	35%	0.351	24%	0.237	S	C	.	.			trans	75.5	-6.1	-172.9	0	0	0	0	0	114.9	K444 N445	K444-G449 WeakPolarHBondContact CE-O 3.16Å; K444-G449 WeakPolarHBondContact CG-O 3.3Å; N445-G449 WeakPolarHBondContact O-CA 3.43Å; N445-G449 PolarHBondContact O-N 3.21Å
450	N	87.2	Confident	92.8	Very high	25 Å²	25	52.1 Å²	52.1	13%	0.134	26%	0.263	C	S	.	.			trans	-52.5	146.4	178.5	-67.5	-12.2	0	0	0	111.6	K444 N445 T448 Q537 D543	K444-N450 CarbonylContact C-O 3.56Å; K444-N450 WeakPolarHBondContact CA-O 3.37Å; N445-N450 HydrophobicContact CB-CB 4.32Å; N445-N450 PolarHBondContact N-O 3.19Å; T448-N450 PolarHBondContact O-N 2.88Å; T448-N450 WeakPolarHBondContact OG1-CB 3.35Å; T448-N450 PolarHBondContact OG1-N 3.19Å; T448-N450 PolarHBondContact OG1-ND2 3.12Å; N450-Q537 PolarHBondContact ND2-O 2.61Å; N450-D543 PolarHBondContact ND2-OD2 3.2Å
451	L	89.3	Confident	92.4	Very high	75 Å²	75	51.2 Å²	51.2	39%	0.393	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	134.8	158.2	-66.3	175.7	0	0	0	108.7	R442 K444	R442-L451 HydrophobicContact CG-CD2 4.32Å; K444-L451 HydrophobicContact CB-CD2 4.02Å; K444-L451 HydrophobicContact CG-CD2 4.15Å
452	V	91.3	Very high	91.9	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.5	177.9	-170.9	0	0	0	0	107.1	R442 R443 N445 D543 M547	R442-V452 CarbonylContact C-O 3.55Å; R442-V452 VanDerWaalsContact CA-O 3.27Å; R442-V452 WeakPolarHBondContact CA-O 3.2Å; R443-V452 PolarHBondContact N-O 3.25Å; R443-V452 PolarHBondContact O-N 3.38Å; N445-V452 HydrophobicContact CB-CG2 4.47Å; V452-D543 HydrophobicContact CB-CB 4.47Å; V452-D543 HydrophobicContact CG1-CB 3.98Å; V452-D543 HydrophobicContact CG2-CB 3.62Å; V452-M547 HydrophobicContact CB-SD 4.18Å; V452-M547 HydrophobicContact CG1-SD 3.91Å
453	K	94.2	Very high	91.3	Very high	56 Å²	56	57 Å²	57	24%	0.243	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	140.3	-177.8	-63	177.5	-161.9	152.9	0	110.2	V441 R442 I473 D475	V441-K453 WeakPolarHBondContact O-CA 3.36Å; R442-K453 HydrophobicContact CB-CG 4.41Å; R442-K453 HydrophobicContact CG-CG 4.26Å; K453-I473 HydrophobicContact CB-CB 3.86Å; K453-I473 HydrophobicContact CB-CD1 4.43Å; K453-I473 HydrophobicContact CB-CG2 4.35Å; K453-I473 PolarHBondContact O-N 2.96Å; K453-I473 VanDerWaalsContact O-N 3.15Å; K453-D475 WeakPolarHBondContact CD-OD1 3.42Å; K453-D475 WeakPolarHBondContact CE-OD1 3.33Å; K453-D475 WeakPolarHBondContact CE-OD2 3.28Å; K453-D475 IonicContact NZ-OD1 2.89Å; K453-D475 PolarHBondContact NZ-OD1 3.14Å; K453-D475 IonicContact NZ-OD2 3.74Å; K453-D475 PolarHBondContact NZ-OD2 3.27Å
454	M	95.4	Very high	91	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	157.7	171.1	69.6	154.7	98.1	0	0	111.8	R440 V441 L456 F470 K471 I473 F544 M547	R440-M454 WeakPolarHBondContact CA-O 3.38Å; V441-M454 HydrophobicContact CB-CG 3.95Å; V441-M454 HydrophobicContact CG2-CG 4.45Å; V441-M454 PolarHBondContact N-O 2.74Å; V441-M454 PolarHBondContact O-N 2.62Å; M454-L456 HydrophobicContact SD-CD2 3.47Å; M454-L456 WeakPolarHBondContact SD-CD2 3.43Å; M454-L456 HydrophobicContact SD-CG 3.9Å; M454-F470 HydrophobicContact CE-CD1 4.5Å; M454-F470 HydrophobicContact SD-CD1 4.02Å; M454-K471 CarbonylContact C-O 3.59Å; M454-K471 VanDerWaalsContact CA-O 3.26Å; M454-K471 WeakPolarHBondContact CA-O 3.28Å; M454-K471 WeakPolarHBondContact CB-O 3.21Å; M454-I473 VanDerWaalsContact C-CD1 3.5Å; M454-F544 HydrophobicContact CB-CD2 4.22Å; M454-F544 HydrophobicContact CB-CE2 4.03Å; M454-M547 HydrophobicContact CE-CB 3.89Å; M454-M547 HydrophobicContact CE-CE 3.94Å; M454-M547 HydrophobicContact CE-CG 3.48Å; M454-M547 VanDerWaalsContact CE-CG 3.48Å; M454-M547 HydrophobicContact CE-SD 3.78Å; M454-M547 HydrophobicContact CG-CE 4Å; M454-M547 HydrophobicContact CG-SD 4.25Å
455	S	96.3	Very high	91.1	Very high	16 Å²	16	58.2 Å²	58.2	11%	0.112	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	127.4	168.3	173.3	0	0	0	0	109.2	H438 L439 K471	H438-S455 PolarHBondContact CD2-OG 2.97Å; H438-S455 PolarHBondContact NE2-OG 3.49Å; L439-S455 CarbonylContact O-C 3.51Å; L439-S455 WeakPolarHBondContact O-CA 3.47Å; S455-K471 PolarHBondContact N-O 3.05Å; S455-K471 PolarHBondContact O-N 2.87Å
456	L	97.1	Very high	91.4	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.2	169.3	-62.9	176.2	0	0	0	109.4	V420 M424 H438 L439 V441 M454 L468 D469 F470 L551	V420-L456 HydrophobicContact CG1-CD1 3.81Å; M424-L456 HydrophobicContact SD-CD1 4.12Å; H438-L456 WeakPolarHBondContact CA-O 3.39Å; H438-L456 PolarHBondContact CD2-O 3.4Å; L439-L456 HydrophobicContact CB-CB 4.23Å; L439-L456 HydrophobicContact CD1-CB 4.48Å; L439-L456 HydrophobicContact CD1-CD1 4.21Å; L439-L456 PolarHBondContact N-O 3.15Å; L439-L456 PolarHBondContact O-N 3.35Å; V441-L456 HydrophobicContact CG2-CD1 3.69Å; V441-L456 HydrophobicContact CG2-CG 3.94Å; M454-L456 HydrophobicContact SD-CD2 3.47Å; M454-L456 WeakPolarHBondContact SD-CD2 3.43Å; M454-L456 HydrophobicContact SD-CG 3.9Å; L456-L468 HydrophobicContact CB-CD1 4.3Å; L456-D469 WeakPolarHBondContact CA-O 3.32Å; L456-F470 HydrophobicContact CD2-CB 4.49Å; L456-F470 HydrophobicContact CD2-CD1 3.35Å; L456-F470 HydrophobicContact CD2-CE1 3.64Å; L456-F470 HydrophobicContact CD2-CG 3.91Å; L456-F470 HydrophobicContact CD2-CZ 4.41Å; L456-L551 HydrophobicContact CD1-CD2 3.62Å; L456-L551 HydrophobicContact CD2-CD2 4.24Å
457	Q	96.8	Very high	91.9	Very high	33 Å²	33	55.1 Å²	55.1	15%	0.154	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	124.7	178.2	177	60.7	68.2	0	0	110	Y437 H438 Y459 D469	Y437-Q457 WeakPolarHBondContact O-CA 3.43Å; Y437-Q457 PolarHBondContact O-NE2 2.64Å; Y437-Q457 VanDerWaalsContact O-NE2 3.08Å; H438-Q457 VanDerWaalsContact CB-OE1 3.29Å; Q457-Y459 HydrophobicContact CB-CE2 4.01Å; Q457-Y459 HydrophobicContact CG-CD1 4.12Å; Q457-Y459 HydrophobicContact CG-CD2 4.07Å; Q457-Y459 HydrophobicContact CG-CE1 3.6Å; Q457-Y459 HydrophobicContact CG-CE2 3.58Å; Q457-Y459 HydrophobicContact CG-CG 4.34Å; Q457-D469 PolarHBondContact N-O 2.97Å; Q457-D469 WeakPolarHBondContact O-CB 3.47Å; Q457-D469 PolarHBondContact O-N 3.11Å
458	L	97	Very high	92.3	Very high	12 Å²	12	49.1 Å²	49.1	6%	0.063	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	123.5	171.8	-168.2	72.3	0	0	0	109.7	P413 I416 M417 Y437 L468	P413-L458 HydrophobicContact CB-CD2 3.98Å; I416-L458 HydrophobicContact CB-CD2 4.38Å; I416-L458 HydrophobicContact CD1-CD1 4.44Å; I416-L458 HydrophobicContact CG2-CD1 3.8Å; I416-L458 HydrophobicContact CG2-CD2 4.32Å; M417-L458 HydrophobicContact CG-CD2 4.22Å; M417-L458 HydrophobicContact SD-CB 3.99Å; M417-L458 HydrophobicContact SD-CD2 4.12Å; Y437-L458 HydrophobicContact CD1-CB 4.46Å; Y437-L458 HydrophobicContact CD1-CD2 3.99Å; Y437-L458 HydrophobicContact CE1-CD2 4.46Å; Y437-L458 PolarHBondContact O-N 3.43Å; L458-L468 HydrophobicContact CB-CD1 4.45Å; L458-L468 HydrophobicContact CD1-CB 4.15Å; L458-L468 HydrophobicContact CD1-CD1 4.31Å
459	Y	94.5	Very high	92.7	Very high	69 Å²	69	48.8 Å²	48.8	27%	0.271	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	154.5	175.2	-64.9	-72.1	0	0	0	111	L191 Q457 Y466 L467 D469	L191-Y459 HydrophobicContact CD1-CD1 4.42Å; L191-Y459 HydrophobicContact CD1-CE1 3.63Å; Q457-Y459 HydrophobicContact CB-CE2 4.01Å; Q457-Y459 HydrophobicContact CG-CD1 4.12Å; Q457-Y459 HydrophobicContact CG-CD2 4.07Å; Q457-Y459 HydrophobicContact CG-CE1 3.6Å; Q457-Y459 HydrophobicContact CG-CE2 3.58Å; Q457-Y459 HydrophobicContact CG-CG 4.34Å; Y459-Y466 CarbonylContact O-C 3.6Å; Y459-Y466 WeakPolarHBondContact O-CA 3.26Å; Y459-Y466 WeakPolarHBondContact O-CB 3.34Å; Y459-L467 HydrophobicContact CD2-CD2 4.18Å; Y459-L467 PolarHBondContact N-O 3.02Å; Y459-L467 PolarHBondContact O-N 2.68Å; Y459-D469 HydrophobicContact CD2-CB 3.82Å; Y459-D469 HydrophobicContact CE2-CB 3.56Å
460	Q	93.5	Very high	93.2	Very high	116 Å²	116	48.4 Å²	48.4	54%	0.542	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	127.2	166.9	-174.5	170.8	2.3	0	0	109.5	D462 Y466	Q460-D462 WeakPolarHBondContact CG-O 3.4Å; Q460-D462 PolarHBondContact NE2-O 2.66Å; Q460-Y466 HydrophobicContact CB-CD1 3.84Å; Q460-Y466 HydrophobicContact CB-CE1 3.79Å; Q460-Y466 HydrophobicContact CG-CD1 4Å; Q460-Y466 HydrophobicContact CG-CE1 3.63Å
461	V	88.5	Confident	93.4	Very high	66 Å²	66	49.9 Å²	49.9	40%	0.4	24%	0.237	S	C	.	.			trans	-98.4	-40.8	179.8	-177.9	0	0	0	0	111.1	S465 L467	V461-S465 PolarHBondContact N-O 3.17Å; V461-L467 HydrophobicContact CG2-CB 3.48Å; V461-L467 VanDerWaalsContact CG2-CB 3.48Å; V461-L467 HydrophobicContact CG2-CD1 4.12Å; V461-L467 HydrophobicContact CG2-CG 4.48Å
462	D	86.3	Confident	93.5	Very high	80 Å²	80	47.7 Å²	47.7	43%	0.428	23%	0.228	S	C	.	.	S	Bend	trans	-147.1	-173.9	175.4	67.1	56.6	0	0	0	110.7	Q460 R464 S465	Q460-D462 WeakPolarHBondContact CG-O 3.4Å; Q460-D462 PolarHBondContact NE2-O 2.66Å; D462-R464 PolarHBondContact O-N 2.95Å; D462-R464 PolarHBondContact OD1-N 3.3Å; D462-S465 PolarHBondContact N-O 3.08Å; D462-S465 VanDerWaalsContact OD1-CB 3.27Å; D462-S465 WeakPolarHBondContact OD1-CB 3.22Å; D462-S465 PolarHBondContact OD1-N 3.48Å; D462-S465 WeakPolarHBondContact OD2-CB 3.24Å
463	N	83.4	Confident	93.4	Very high	150 Å²	150	48.8 Å²	48.8	80%	0.802	23%	0.234	S	C	*	.	S	Bend	trans	-62.6	-13.8	-175.6	-69.9	-12.6	0	0	0	115.1
464	R	88.4	Confident	92.7	Very high	198 Å²	198	49.2 Å²	49.2	75%	0.747	24%	0.238	S	C	*	.	S	Bend	trans	-140.8	7.3	179.2	-64.1	-171.7	179.6	-176.9	0.5	114.4	Q410 D462	Q410-R464 VanDerWaalsContact CA-O 3.3Å; Q410-R464 WeakPolarHBondContact CA-O 3.35Å; D462-R464 PolarHBondContact O-N 2.95Å; D462-R464 PolarHBondContact OD1-N 3.3Å
465	S	93.8	Very high	91.1	Very high	11 Å²	11	51.5 Å²	51.5	8%	0.077	25%	0.251	C	S	.	.			trans	-125.4	127.2	-176.6	-165.2	0	0	0	0	111.3	V461 D462	V461-S465 PolarHBondContact N-O 3.17Å; D462-S465 PolarHBondContact N-O 3.08Å; D462-S465 VanDerWaalsContact OD1-CB 3.27Å; D462-S465 WeakPolarHBondContact OD1-CB 3.22Å; D462-S465 PolarHBondContact OD1-N 3.48Å; D462-S465 WeakPolarHBondContact OD2-CB 3.24Å
466	Y	96.1	Very high	89.1	Confident	40 Å²	40	56.4 Å²	56.4	16%	0.157	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	149.8	176.7	-55.9	-80.4	0	0	0	110	R408 S409 S411 P413 I416 Y459 Q460	R408-Y466 CarbonylContact C-O 3.5Å; R408-Y466 VanDerWaalsContact CA-O 3.24Å; R408-Y466 WeakPolarHBondContact CA-O 3.33Å; S409-Y466 PolarHBondContact N-O 3.07Å; S409-Y466 PolarHBondContact O-N 3.4Å; S411-Y466 WeakPolarHBondContact O-CD2 3.21Å; P413-Y466 HydrophobicContact CG-CD1 4.06Å; P413-Y466 HydrophobicContact CG-CD2 4.27Å; P413-Y466 HydrophobicContact CG-CE1 3.57Å; P413-Y466 HydrophobicContact CG-CE2 3.8Å; P413-Y466 HydrophobicContact CG-CG 4.4Å; P413-Y466 VanDerWaalsContact CG-CZ 3.43Å; I416-Y466 HydrophobicContact CD1-CD2 3.91Å; I416-Y466 HydrophobicContact CD1-CG 4.16Å; Y459-Y466 CarbonylContact O-C 3.6Å; Y459-Y466 WeakPolarHBondContact O-CA 3.26Å; Y459-Y466 WeakPolarHBondContact O-CB 3.34Å; Q460-Y466 HydrophobicContact CB-CD1 3.84Å; Q460-Y466 HydrophobicContact CB-CE1 3.79Å; Q460-Y466 HydrophobicContact CG-CD1 4Å; Q460-Y466 HydrophobicContact CG-CE1 3.63Å
467	L	97	Very high	86.8	Confident	10 Å²	10	61.7 Å²	61.7	5%	0.052	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	123.1	179.8	179.4	155	0	0	0	108.5	L405 I407 R408 Y459 V461 D469	L405-L467 HydrophobicContact CB-CD1 4.33Å; L405-L467 HydrophobicContact CD2-CD1 4.5Å; L405-L467 HydrophobicContact CD2-CD2 4.23Å; L405-L467 HydrophobicContact CG-CD2 4.31Å; L405-L467 WeakPolarHBondContact O-CD1 3.46Å; I407-L467 CarbonylContact O-C 3.55Å; I407-L467 WeakPolarHBondContact O-CA 3.27Å; R408-L467 HydrophobicContact CG-CB 4.28Å; R408-L467 HydrophobicContact CG-CD1 4.33Å; R408-L467 HydrophobicContact CG-CG 4.38Å; Y459-L467 HydrophobicContact CD2-CD2 4.18Å; Y459-L467 PolarHBondContact N-O 3.02Å; Y459-L467 PolarHBondContact O-N 2.68Å; V461-L467 HydrophobicContact CG2-CB 3.48Å; V461-L467 VanDerWaalsContact CG2-CB 3.48Å; V461-L467 HydrophobicContact CG2-CD1 4.12Å; V461-L467 HydrophobicContact CG2-CG 4.48Å; L467-D469 HydrophobicContact CD2-CB 3.89Å
468	L	97.3	Very high	84.1	Confident	5 Å²	5	63.4 Å²	63.4	3%	0.026	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	115	169.7	-175.3	68.6	0	0	0	107.9	G406 I407 V420 L456 L458 F470 L555	G406-L468 WeakPolarHBondContact CA-O 3.44Å; I407-L468 HydrophobicContact CD1-CD2 4.25Å; I407-L468 HydrophobicContact CG1-CB 3.94Å; I407-L468 HydrophobicContact CG1-CD2 4.43Å; I407-L468 PolarHBondContact N-O 3.22Å; I407-L468 VanDerWaalsContact N-O 3.16Å; I407-L468 PolarHBondContact O-N 3Å; V420-L468 HydrophobicContact CG2-CD1 4.48Å; V420-L468 HydrophobicContact CG2-CD2 3.62Å; L456-L468 HydrophobicContact CB-CD1 4.3Å; L458-L468 HydrophobicContact CB-CD1 4.45Å; L458-L468 HydrophobicContact CD1-CB 4.15Å; L458-L468 HydrophobicContact CD1-CD1 4.31Å; L468-F470 HydrophobicContact CB-CE2 4.47Å; L468-F470 HydrophobicContact CD2-CE2 4.27Å; L468-F470 HydrophobicContact CD2-CZ 3.91Å; L468-F470 HydrophobicContact CG-CE2 4.17Å; L468-F470 HydrophobicContact CG-CZ 4.28Å; L468-F470 WeakPolarHBondContact O-CD2 3.44Å; L468-F470 VanDerWaalsContact O-CE2 3.31Å; L468-F470 WeakPolarHBondContact O-CE2 3.32Å; L468-L555 HydrophobicContact CD2-CD1 4.13Å
469	D	97	Very high	81.1	Confident	27 Å²	27	71.2 Å²	71.2	14%	0.144	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	150.6	179	-176.1	37.6	0	0	0	111.3	L456 Q457 Y459 L467	L456-D469 WeakPolarHBondContact CA-O 3.32Å; Q457-D469 PolarHBondContact N-O 2.97Å; Q457-D469 WeakPolarHBondContact O-CB 3.47Å; Q457-D469 PolarHBondContact O-N 3.11Å; Y459-D469 HydrophobicContact CD2-CB 3.82Å; Y459-D469 HydrophobicContact CE2-CB 3.56Å; L467-D469 HydrophobicContact CD2-CB 3.89Å
470	F	95.9	Very high	78.3	Confident	26 Å²	26	72.2 Å²	72.2	11%	0.114	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	110.6	-175.1	-60	-108.8	0	0	0	108.5	I407 M454 L456 L468 F544 C548 L551 I552	I407-F470 HydrophobicContact CD1-CE2 4.49Å; I407-F470 HydrophobicContact CD1-CZ 4.25Å; I407-F470 HydrophobicContact CG1-CE2 4.08Å; I407-F470 HydrophobicContact CG1-CZ 4.34Å; I407-F470 HydrophobicContact CG2-CE2 4.4Å; M454-F470 HydrophobicContact CE-CD1 4.5Å; M454-F470 HydrophobicContact SD-CD1 4.02Å; L456-F470 HydrophobicContact CD2-CB 4.49Å; L456-F470 HydrophobicContact CD2-CD1 3.35Å; L456-F470 HydrophobicContact CD2-CE1 3.64Å; L456-F470 HydrophobicContact CD2-CG 3.91Å; L456-F470 HydrophobicContact CD2-CZ 4.41Å; L468-F470 HydrophobicContact CB-CE2 4.47Å; L468-F470 HydrophobicContact CD2-CE2 4.27Å; L468-F470 HydrophobicContact CD2-CZ 3.91Å; L468-F470 HydrophobicContact CG-CE2 4.17Å; L468-F470 HydrophobicContact CG-CZ 4.28Å; L468-F470 WeakPolarHBondContact O-CD2 3.44Å; L468-F470 VanDerWaalsContact O-CE2 3.31Å; L468-F470 WeakPolarHBondContact O-CE2 3.32Å; F470-F544 HydrophobicContact CB-CZ 4.36Å; F470-C548 HydrophobicContact CD1-CB 4.22Å; F470-L551 HydrophobicContact CE1-CD2 4.12Å; F470-L551 HydrophobicContact CE1-CG 4.45Å; F470-I552 HydrophobicContact CE1-CD1 4.25Å; F470-I552 HydrophobicContact CE1-CG1 3.94Å; F470-I552 HydrophobicContact CE2-CD1 4.2Å; F470-I552 HydrophobicContact CE2-CG1 4.18Å; F470-I552 HydrophobicContact CZ-CD1 3.94Å; F470-I552 HydrophobicContact CZ-CG1 3.52Å
471	K	92.4	Very high	75.5	Confident	57 Å²	57	69.8 Å²	69.8	25%	0.248	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	135.6	178.5	-168.3	-162.5	173	176.9	0	111	D168 G169 M454 S455	D168-K471 VanDerWaalsContact O-CE 3.23Å; D168-K471 WeakPolarHBondContact O-CE 3.37Å; D168-K471 PolarHBondContact O-NZ 3.33Å; G169-K471 WeakPolarHBondContact O-CD 3.4Å; G169-K471 WeakPolarHBondContact O-CE 3.46Å; G169-K471 PolarHBondContact O-NZ 2.89Å; M454-K471 CarbonylContact C-O 3.59Å; M454-K471 VanDerWaalsContact CA-O 3.26Å; M454-K471 WeakPolarHBondContact CA-O 3.28Å; M454-K471 WeakPolarHBondContact CB-O 3.21Å; S455-K471 PolarHBondContact N-O 3.05Å; S455-K471 PolarHBondContact O-N 2.87Å
472	S	92	Very high	72.9	Confident	29 Å²	29	70 Å²	70	20%	0.203	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	155.2	168.9	-170.4	0	0	0	0	111.4	H540 F544	S472-H540 PolarHBondContact OG-CE1 2.82Å; S472-F544 VanDerWaalsContact N-CE2 3.3Å
473	I	89.3	Confident	70.4	Confident	23 Å²	23	71.8 Å²	71.8	12%	0.118	38%	0.383	C	S	.	.			trans	-130.7	104.1	166.5	-56.8	174.1	0	0	0	107.2	R440 K453 M454 M478	R440-I473 HydrophobicContact CB-CD1 4.48Å; R440-I473 HydrophobicContact CG-CD1 4.02Å; K453-I473 HydrophobicContact CB-CB 3.86Å; K453-I473 HydrophobicContact CB-CD1 4.43Å; K453-I473 HydrophobicContact CB-CG2 4.35Å; K453-I473 PolarHBondContact O-N 2.96Å; K453-I473 VanDerWaalsContact O-N 3.15Å; M454-I473 VanDerWaalsContact C-CD1 3.5Å; I473-M478 HydrophobicContact CG2-SD 4.35Å
474	D	78.4	Confident	67.9	Low	64 Å²	64	74.4 Å²	74.4	34%	0.342	39%	0.388	S	S	.	.			trans	-74.3	139.4	173.9	-55.6	-83.6	0	0	0	110.8	I477 H540	D474-I477 HydrophobicContact CB-CD1 4.15Å; D474-I477 HydrophobicContact CB-CG1 4.4Å; D474-H540 IonicContact OD1-CE1 3.83Å; D474-H540 PolarHBondContact OD1-CE1 3.38Å; D474-H540 IonicContact OD1-ND1 3.1Å; D474-H540 PolarHBondContact OD1-ND1 3.42Å
475	D	62.8	Low	65.1	Low	48 Å²	48	69.3 Å²	69.3	26%	0.257	38%	0.382	S	S	.	.	S	Bend	trans	-81.2	-35.4	-170.6	-85.2	1.3	0	0	0	112.4	K453 I477 M478	K453-D475 WeakPolarHBondContact CD-OD1 3.42Å; K453-D475 WeakPolarHBondContact CE-OD1 3.33Å; K453-D475 WeakPolarHBondContact CE-OD2 3.28Å; K453-D475 IonicContact NZ-OD1 2.89Å; K453-D475 PolarHBondContact NZ-OD1 3.14Å; K453-D475 IonicContact NZ-OD2 3.74Å; K453-D475 PolarHBondContact NZ-OD2 3.27Å; D475-I477 VanDerWaalsContact C-N 3.29Å; D475-I477 PolarHBondContact O-N 2.94Å; D475-M478 PolarHBondContact O-N 3.23Å
476	D	54.3	Low	61.9	Low	120 Å²	120	72.1 Å²	72.1	64%	0.642	41%	0.413	S	S	*	.	H	α-helix	trans	-63.5	-35.7	-174.6	-46.7	-76.7	0	0	0	111.9	M478 E479 A480	D476-M478 VanDerWaalsContact C-N 3.26Å; D476-M478 PolarHBondContact O-N 3.36Å; D476-E479 PolarHBondContact O-N 3.5Å; D476-A480 PolarHBondContact O-N 3.16Å
477	I	47.7	Very low	58.8	Low	112 Å²	112	75.1 Å²	75.1	57%	0.574	44%	0.44	S	S	*	.	H	α-helix	trans	-64.1	-30.6	177.2	-57.2	178.7	0	0	0	111.5	D474 D475 V481	D474-I477 HydrophobicContact CB-CD1 4.15Å; D474-I477 HydrophobicContact CB-CG1 4.4Å; D475-I477 VanDerWaalsContact C-N 3.29Å; D475-I477 PolarHBondContact O-N 2.94Å; I477-V481 PolarHBondContact O-N 3.2Å
478	M	40	Very low	55.6	Low	69 Å²	69	79.5 Å²	79.5	34%	0.34	47%	0.471	S	S	.	.	H	α-helix	trans	-80.7	-20.9	-176.3	-69.8	-146.6	68.3	0	0	114.4	I473 D475 D476	I473-M478 HydrophobicContact CG2-SD 4.35Å; D475-M478 PolarHBondContact O-N 3.23Å; D476-M478 VanDerWaalsContact C-N 3.26Å; D476-M478 PolarHBondContact O-N 3.36Å
479	E	35.4	Very low	52.3	Low	176 Å²	176	84.8 Å²	84.8	82%	0.822	50%	0.504	S	S	*	.	H	α-helix	trans	-95.4	-41.3	175.7	-62.2	-146.9	143.1	0	0	112.4	D476 V481	D476-E479 PolarHBondContact O-N 3.5Å; E479-V481 VanDerWaalsContact C-N 3.35Å; E479-V481 PolarHBondContact O-N 3.49Å
480	A	34.9	Very low	49	Very low	90 Å²	90	89.6 Å²	89.6	74%	0.744	54%	0.537	S	S	*	.	H	α-helix	trans	-60.1	-43	176.3	0	0	0	0	0	112.2	D476	D476-A480 PolarHBondContact O-N 3.16Å
481	V	35.4	Very low	45.7	Very low	64 Å²	64	96.7 Å²	96.7	39%	0.388	57%	0.57	S	S	.	*	S	Bend	trans	-104.3	91.3	177.8	-162	0	0	0	0	109.1	I477 E479 F483	I477-V481 PolarHBondContact O-N 3.2Å; E479-V481 VanDerWaalsContact C-N 3.35Å; E479-V481 PolarHBondContact O-N 3.49Å; V481-F483 VanDerWaalsContact C-N 3.26Å; V481-F483 HydrophobicContact CB-CD2 4.15Å; V481-F483 HydrophobicContact CB-CE2 4.42Å; V481-F483 HydrophobicContact CG1-CD2 3.67Å; V481-F483 HydrophobicContact CG1-CE2 3.55Å; V481-F483 WeakPolarHBondContact O-CD2 3.44Å; V481-F483 PolarHBondContact O-N 2.93Å
482	G	32	Very low	42.6	Very low	72 Å²	72	105.9 Å²	105.9	74%	0.742	60%	0.604	S	S	*	*			trans	-59.2	61.5	-166.3	0	0	0	0	0	118.7	K484	G482-K484 PolarHBondContact O-N 3.27Å; G482-K484 VanDerWaalsContact O-N 3.09Å
483	F	34.7	Very low	39.5	Very low	116 Å²	116	109.5 Å²	109.5	51%	0.509	63%	0.629	S	S	.	*			trans	-83.1	73.8	-177	-89.8	-75.7	0	0	0	112.6	V481 S485	V481-F483 VanDerWaalsContact C-N 3.26Å; V481-F483 HydrophobicContact CB-CD2 4.15Å; V481-F483 HydrophobicContact CB-CE2 4.42Å; V481-F483 HydrophobicContact CG1-CD2 3.67Å; V481-F483 HydrophobicContact CG1-CE2 3.55Å; V481-F483 WeakPolarHBondContact O-CD2 3.44Å; V481-F483 PolarHBondContact O-N 2.93Å; F483-S485 PolarHBondContact O-N 2.84Å
484	K	30.2	Very low	36.5	Very low	205 Å²	205	111.9 Å²	111.9	89%	0.891	66%	0.659	S	S	*	*			trans	-60.7	109.4	158.7	-72.8	-171.4	177.4	-178.9	0	108.6	G482 G486	G482-K484 PolarHBondContact O-N 3.27Å; G482-K484 VanDerWaalsContact O-N 3.09Å; K484-G486 PolarHBondContact O-N 2.89Å
485	S	30.8	Very low	33.9	Very low	91 Å²	91	114.7 Å²	114.7	64%	0.636	68%	0.683	S	S	*	*			trans	-67	93.4	-171.9	-58	0	0	0	0	112.2	F483 S487	F483-S485 PolarHBondContact O-N 2.84Å; S485-S487 PolarHBondContact O-N 2.93Å; S485-S487 VanDerWaalsContact O-N 3.08Å
486	G	27	Very low	32.3	Very low	71 Å²	71	119.2 Å²	119.2	73%	0.732	71%	0.713	S	S	*	*			trans	-73.5	89.3	170.8	0	0	0	0	0	111.4	K484 S488	K484-G486 PolarHBondContact O-N 2.89Å; G486-S488 PolarHBondContact O-N 2.85Å
487	S	30.8	Very low	30.9	Very low	103 Å²	103	118.5 Å²	118.5	72%	0.72	72%	0.724	S	S	*	*			trans	-77.5	98	171.3	58.3	0	0	0	0	110.2	S485 T489	S485-S487 PolarHBondContact O-N 2.93Å; S485-S487 VanDerWaalsContact O-N 3.08Å; S487-T489 PolarHBondContact O-N 2.71Å
488	S	28.9	Very low	29.9	Very low	101 Å²	101	116.8 Å²	116.8	71%	0.706	73%	0.734	S	S	*	*			trans	-76.7	85.3	179.2	41.1	0	0	0	0	112.1	G486	G486-S488 PolarHBondContact O-N 2.85Å
489	T	28.2	Very low	29.2	Very low	116 Å²	116	120.9 Å²	120.9	71%	0.712	76%	0.756	S	S	*	*			trans	-108.6	125.5	166.5	39.2	0	0	0	0	110.7	S487 Q491	S487-T489 PolarHBondContact O-N 2.71Å; T489-Q491 PolarHBondContact O-N 3.44Å
490	P	27.4	Very low	28.8	Very low	129 Å²	129	121.7 Å²	121.7	84%	0.838	76%	0.76	S	S	*	*			trans	-79.1	103	-177.3	30.6	-33.7	0	0	0	111.1	R492	P490-R492 PolarHBondContact O-N 2.84Å
491	Q	27.1	Very low	28.4	Very low	174 Å²	174	128.7 Å²	128.7	81%	0.813	77%	0.767	S	S	*	*			trans	-70.5	117.6	166.9	-76.2	-163.7	-19.6	0	0	110.4	T489 S493	T489-Q491 PolarHBondContact O-N 3.44Å; Q491-S493 PolarHBondContact O-N 3.37Å; Q491-S493 VanDerWaalsContact O-N 3.08Å
492	R	26.3	Very low	28.5	Very low	251 Å²	251	131 Å²	131	95%	0.947	78%	0.783	S	S	*	*			trans	-71.5	91.7	163.9	-83.9	-179.1	163.6	-178.3	-5.1	109.3	P490 G494	P490-R492 PolarHBondContact O-N 2.84Å; R492-G494 PolarHBondContact O-N 3.35Å; R492-G494 VanDerWaalsContact O-N 3.07Å
493	S	28.1	Very low	28.2	Very low	105 Å²	105	139.5 Å²	139.5	73%	0.734	79%	0.793	S	S	*	*			trans	-71	97.5	168.5	-58.1	0	0	0	0	110	Q491	Q491-S493 PolarHBondContact O-N 3.37Å; Q491-S493 VanDerWaalsContact O-N 3.08Å
494	G	25.7	Very low	27.8	Very low	72 Å²	72	142.2 Å²	142.2	74%	0.742	81%	0.812	S	S	*	*			trans	-68.4	130	172.1	0	0	0	0	0	110.9	R492	R492-G494 PolarHBondContact O-N 3.35Å; R492-G494 VanDerWaalsContact O-N 3.07Å
495	S	24.8	Very low	27.5	Very low	123 Å²	123	137.4 Å²	137.4	86%	0.86	80%	0.804	S	S	*	*			trans	-79.1	122.8	-178.7	-51.9	0	0	0	0	112.1
496	T	27.6	Very low	27.5	Very low	144 Å²	144	140.2 Å²	140.2	88%	0.883	81%	0.81	S	S	*	*			trans	-125.7	144.6	153.8	47.8	0	0	0	0	108.8
497	A	26.1	Very low	27.5	Very low	105 Å²	105	143.8 Å²	143.8	87%	0.868	81%	0.813	S	S	*	*			trans	-94.7	147.1	-167.5	0	0	0	0	0	112.8
498	G	26.1	Very low	27.3	Very low	76 Å²	76	144.3 Å²	144.3	78%	0.784	82%	0.816	S	S	*	*			trans	-151.8	123.2	167.8	0	0	0	0	0	109.5
499	L	26.6	Very low	27.2	Very low	155 Å²	155	144.2 Å²	144.2	81%	0.812	82%	0.822	S	S	*	*			trans	-87.4	143.1	179.8	-64.1	89.1	0	0	0	110.3
500	H	25.7	Very low	27.2	Very low	192 Å²	192	144.1 Å²	144.1	89%	0.889	83%	0.826	S	S	*	*				-170.1	158.8	111.3	-106.7	-79.6	0	0	0	112.1
501	R	27.3	Very low	27.6	Very low	237 Å²	237	143.9 Å²	143.9	89%	0.894	82%	0.824	S	S	*	*			trans	-98.5	161.1	175.9	-111.8	-167.4	167.6	-175.1	-3.1	111.4
502	P	37	Very low	27.6	Very low	113 Å²	113	139.9 Å²	139.9	73%	0.734	82%	0.821	S	S	*	*			trans	-93.6	173.7	-165.7	38.8	-38.4	0	0	0	114.5
503	R	25.7	Very low	27.7	Very low	251 Å²	251	135.5 Å²	135.5	95%	0.947	81%	0.814	S	S	*	*			trans	-140.9	159.6	156	-93.2	-173.9	177.1	-175.7	-1.7	111.8
504	L	27	Very low	27.6	Very low	172 Å²	172	137.9 Å²	137.9	90%	0.901	82%	0.819	S	S	*	*			trans	-111.1	148.3	177.1	-64	152.8	0	0	0	109
505	S	24.2	Very low	27.6	Very low	104 Å²	104	141.7 Å²	141.7	73%	0.727	82%	0.822	S	S	*	*			trans	174.4	117.4	139.1	54.9	0	0	0	0	114.7
506	I	28.8	Very low	27.9	Very low	150 Å²	150	141.6 Å²	141.6	77%	0.769	82%	0.818	S	S	*	*				59.6	126.4	118	-61.7	171.8	0	0	0	120.5
507	D	27.5	Very low	27.7	Very low	147 Å²	147	143 Å²	143	79%	0.786	81%	0.814	S	S	*	*			trans	50.7	146.8	153.1	-49.2	-11.3	0	0	0	120.5
508	S	26.9	Very low	27.7	Very low	114 Å²	114	145.3 Å²	145.3	80%	0.797	81%	0.812	S	S	*	*			cis	-173	173.1	42.7	47.2	0	0	0	0	114.2
509	A	27.2	Very low	27.6	Very low	99 Å²	99	147 Å²	147	82%	0.818	81%	0.812	S	S	*	*			trans	78.5	122.7	152.6	0	0	0	0	0	122.7
510	S	27.1	Very low	27.6	Very low	114 Å²	114	144.6 Å²	144.6	80%	0.797	81%	0.807	S	S	*	*			trans	-98.7	172.2	157.5	-42.4	0	0	0	0	110.1
511	P	37.1	Very low	27.5	Very low	124 Å²	124	141.3 Å²	141.3	81%	0.805	81%	0.806	S	S	*	*				-128.6	157.9	71.4	7.1	17.8	0	0	0	113.1
512	A	26.6	Very low	27.5	Very low	89 Å²	89	137.8 Å²	137.8	74%	0.736	80%	0.804	S	S	*	*			cis	93.5	162.7	49.2	0	0	0	0	0	113.8
513	I	29.1	Very low	27.3	Very low	159 Å²	159	138.4 Å²	138.4	82%	0.815	81%	0.808	S	S	*	*			trans	79.5	128.4	-171.9	-57.6	172.9	0	0	0	113
514	D	26	Very low	27.3	Very low	156 Å²	156	130 Å²	130	83%	0.834	80%	0.799	S	S	*	*			cis	-151.2	170.4	-6.7	-121.6	-5.3	0	0	0	112.8
515	L	25.8	Very low	27.2	Very low	152 Å²	152	126.8 Å²	126.8	80%	0.796	79%	0.791	S	S	*	*			trans	-153.5	129	-178.8	-141.3	179.8	0	0	0	112.2
516	P	29.8	Very low	27.5	Very low	121 Å²	121	130.5 Å²	130.5	79%	0.786	80%	0.802	S	S	*	*			trans	-98.8	149.1	168.1	-8.3	27.9	0	0	0	115
517	Q	24.3	Very low	27.4	Very low	172 Å²	172	128 Å²	128	80%	0.804	80%	0.797	S	S	*	*			trans	-103.5	164.5	167	-77.8	-173.7	19.6	0	0	110.3
518	L	25.4	Very low	27.4	Very low	155 Å²	155	124.6 Å²	124.6	81%	0.812	80%	0.797	S	S	*	*			cis	-129.2	-148	5.8	-120.9	144	0	0	0	107.2
519	S	23.7	Very low	27.3	Very low	112 Å²	112	124.4 Å²	124.4	78%	0.783	80%	0.796	S	S	*	*			cis	-148.3	-166.1	12.8	70.1	0	0	0	0	112.5
520	S	26.9	Very low	27.5	Very low	104 Å²	104	124.4 Å²	124.4	73%	0.727	79%	0.79	S	S	*	*			trans	-103	138	-174.6	55.1	0	0	0	0	114.6
521	S	25.1	Very low	27.7	Very low	122 Å²	122	124.9 Å²	124.9	85%	0.853	79%	0.79	S	S	*	*			trans	-167.5	144	139.5	45.4	0	0	0	0	113.2
522	L	26.6	Very low	27.7	Very low	164 Å²	164	127 Å²	127	86%	0.859	79%	0.794	S	S	*	*			trans	-112.3	143.9	161.8	-89.1	167.5	0	0	0	106
523	P	32.1	Very low	28.3	Very low	125 Å²	125	131 Å²	131	81%	0.812	80%	0.803	S	S	*	*				-147.1	156.6	73.2	38.8	-21	0	0	0	117.6
524	G	26.1	Very low	29.2	Very low	74 Å²	74	128 Å²	128	76%	0.763	80%	0.801	S	S	*	*			trans	54.2	98.3	136	0	0	0	0	0	121.2
525	S	24.5	Very low	30.6	Very low	105 Å²	105	124.8 Å²	124.8	73%	0.734	80%	0.796	S	S	*	*				-157.4	128.1	129.7	-173.8	0	0	0	0	110.5
526	L	30.6	Very low	32.4	Very low	183 Å²	183	122.3 Å²	122.3	96%	0.958	78%	0.776	S	S	*	*			trans	-101	74.7	170.1	-81.1	172.8	0	0	0	109.5
527	S	27	Very low	34.4	Very low	96 Å²	96	123.2 Å²	123.2	67%	0.671	77%	0.77	S	S	*	*			trans	-102.1	59.1	168.6	63	0	0	0	0	110.4	S529	S527-S529 PolarHBondContact O-N 2.96Å
528	G	26.5	Very low	36.7	Very low	76 Å²	76	117.5 Å²	117.5	78%	0.784	76%	0.758	S	S	*	*			trans	-74.2	70.4	171.3	0	0	0	0	0	110.7	S530	G528-S530 PolarHBondContact O-N 3.24Å; G528-S530 VanDerWaalsContact O-N 3.14Å
529	S	26.5	Very low	39.6	Very low	111 Å²	111	113 Å²	113	78%	0.776	74%	0.739	S	S	*	*			trans	-66.7	110.8	177	39.3	0	0	0	0	110.6	S527	S527-S529 PolarHBondContact O-N 2.96Å
530	S	30.3	Very low	42.5	Very low	99 Å²	99	108.9 Å²	108.9	69%	0.692	71%	0.707	S	S	*	*			trans	-48.5	138.2	159.6	-62.1	0	0	0	0	109.2	G528 L532	G528-S530 PolarHBondContact O-N 3.24Å; G528-S530 VanDerWaalsContact O-N 3.14Å; S530-L532 PolarHBondContact O-N 3.48Å
531	P	32.8	Very low	45.4	Very low	123 Å²	123	107.9 Å²	107.9	80%	0.799	70%	0.697	S	S	*	*			trans	-65.7	102.2	175.4	27.4	-32.9	0	0	0	108.6	L533	P531-L533 PolarHBondContact O-N 3.28Å
532	L	35.2	Very low	48.5	Very low	170 Å²	170	107 Å²	107	89%	0.89	68%	0.68	S	S	*	*			trans	-51.5	116.5	171.2	-74.1	166.8	0	0	0	108.2	S530 A534	S530-L532 PolarHBondContact O-N 3.48Å; L532-A534 PolarHBondContact O-N 3.1Å
533	L	41	Very low	51.5	Low	173 Å²	173	99.4 Å²	99.4	91%	0.906	64%	0.641	S	S	*	*			trans	-58.4	109.6	173.5	-80.4	164.6	0	0	0	107.6	P531 A535	P531-L533 PolarHBondContact O-N 3.28Å; L533-A535 PolarHBondContact O-N 2.92Å; L533-A535 VanDerWaalsContact O-N 3.09Å
534	A	47.3	Very low	54.4	Low	94 Å²	94	94.6 Å²	94.6	78%	0.777	61%	0.607	S	S	*	*			trans	-59	118.8	-177.6	0	0	0	0	0	108.9	L532 R536	L532-A534 PolarHBondContact O-N 3.1Å; A534-R536 PolarHBondContact O-N 3.02Å; A534-R536 VanDerWaalsContact O-N 3.13Å
535	A	55.4	Low	57.7	Low	89 Å²	89	96.6 Å²	96.6	74%	0.736	60%	0.595	S	S	*	*			trans	-50.9	121.2	-170.8	0	0	0	0	0	110.9	L533 Q537	L533-A535 PolarHBondContact O-N 2.92Å; L533-A535 VanDerWaalsContact O-N 3.09Å; A535-Q537 PolarHBondContact O-N 3.01Å; A535-Q537 VanDerWaalsContact O-N 3.08Å
536	R	62.7	Low	60.9	Low	101 Å²	101	96 Å²	96	38%	0.381	58%	0.58	S	S	.	*			trans	-56.7	115.4	-172.1	-177.2	177.5	-179.2	167.1	2	110	A534 H540 D543	A534-R536 PolarHBondContact O-N 3.02Å; A534-R536 VanDerWaalsContact O-N 3.13Å; R536-H540 PolarHBondContact NH2-CD2 3.21Å; R536-D543 IonicContact NH2-OD2 3.89Å
537	Q	71.9	Confident	64	Low	139 Å²	139	87.2 Å²	87.2	65%	0.65	54%	0.535	S	S	*	.			trans	-76.7	130.1	178.7	-64.2	-173.6	0.4	0	0	109.8	T448 N450 A535	T448-Q537 WeakPolarHBondContact CB-O 3.28Å; T448-Q537 HydrophobicContact CG2-CB 4.31Å; T448-Q537 VanDerWaalsContact CG2-O 3.31Å; T448-Q537 WeakPolarHBondContact CG2-O 3.46Å; N450-Q537 PolarHBondContact ND2-O 2.61Å; A535-Q537 PolarHBondContact O-N 3.01Å; A535-Q537 VanDerWaalsContact O-N 3.08Å
538	G	74.2	Confident	67.3	Low	53 Å²	53	83.2 Å²	83.2	55%	0.546	51%	0.506	S	S	.	.	S	Bend	trans	84.2	166.7	-176.8	0	0	0	0	0	114.4
539	S	84.4	Confident	70.5	Confident	60 Å²	60	82 Å²	82	42%	0.42	49%	0.489	S	S	.	.			trans	-93.7	129.9	-178.7	169.2	0	0	0	0	111.2	T541 M542 D543	S539-T541 VanDerWaalsContact C-N 3.3Å; S539-T541 PolarHBondContact O-N 3.38Å; S539-T541 PolarHBondContact OG-N 3.48Å; S539-M542 PolarHBondContact O-N 3.3Å; S539-D543 PolarHBondContact O-N 3.16Å
540	H	85.5	Confident	73.8	Confident	25 Å²	25	78.3 Å²	78.3	12%	0.116	46%	0.463	C	S	.	.	H	α-helix	trans	-60.9	-39.5	177.7	-171.1	-152.2	0	0	0	112.5	S472 D474 R536 M542 D543 F544	S472-H540 PolarHBondContact OG-CE1 2.82Å; D474-H540 IonicContact OD1-CE1 3.83Å; D474-H540 PolarHBondContact OD1-CE1 3.38Å; D474-H540 IonicContact OD1-ND1 3.1Å; D474-H540 PolarHBondContact OD1-ND1 3.42Å; R536-H540 PolarHBondContact NH2-CD2 3.21Å; H540-M542 VanDerWaalsContact C-N 3.29Å; H540-M542 PolarHBondContact O-N 3Å; H540-D543 WeakPolarHBondContact O-CB 3.32Å; H540-D543 PolarHBondContact O-N 3.19Å; H540-F544 WeakPolarHBondContact O-CB 3.46Å; H540-F544 PolarHBondContact O-N 3.41Å
541	T	87	Confident	76.9	Confident	83 Å²	83	73.6 Å²	73.6	51%	0.509	43%	0.43	S	S	.	.	H	α-helix	trans	-62.6	-37.7	179	-41.7	0	0	0	0	111.5	S539 F545	S539-T541 VanDerWaalsContact C-N 3.3Å; S539-T541 PolarHBondContact O-N 3.38Å; S539-T541 PolarHBondContact OG-N 3.48Å; T541-F545 HydrophobicContact CG2-CD2 4.14Å; T541-F545 HydrophobicContact CG2-CE2 3.6Å; T541-F545 HydrophobicContact CG2-CZ 3.92Å; T541-F545 VanDerWaalsContact O-CD2 3.28Å; T541-F545 WeakPolarHBondContact O-CD2 3.28Å; T541-F545 VanDerWaalsContact O-CG 3.28Å; T541-F545 WeakPolarHBondContact O-CG 3.45Å; T541-F545 PolarHBondContact O-N 3.26Å
542	M	90.5	Very high	79.9	Confident	104 Å²	104	70.5 Å²	70.5	51%	0.512	41%	0.406	S	S	.	.	H	α-helix	trans	-73.5	-43.6	174.9	-64.8	-55.1	-66.1	0	0	112.2	S539 H540 F544 F545 E546	S539-M542 PolarHBondContact O-N 3.3Å; H540-M542 VanDerWaalsContact C-N 3.29Å; H540-M542 PolarHBondContact O-N 3Å; M542-F544 PolarHBondContact O-N 3.4Å; M542-F545 PolarHBondContact O-N 2.81Å; M542-F545 HydrophobicContact SD-CD2 4.29Å; M542-E546 WeakPolarHBondContact O-CG 3.34Å; M542-E546 PolarHBondContact O-N 2.71Å
543	D	90.9	Very high	82.7	Confident	5 Å²	5	66.1 Å²	66.1	3%	0.027	39%	0.387	C	S	.	.	H	α-helix	trans	-48.9	-46.9	171.1	-93.5	-20	0	0	0	111	N445 N450 V452 R536 S539 H540 M547	N445-D543 PolarHBondContact ND2-OD1 3.24Å; N450-D543 PolarHBondContact ND2-OD2 3.2Å; V452-D543 HydrophobicContact CB-CB 4.47Å; V452-D543 HydrophobicContact CG1-CB 3.98Å; V452-D543 HydrophobicContact CG2-CB 3.62Å; R536-D543 IonicContact NH2-OD2 3.89Å; S539-D543 PolarHBondContact O-N 3.16Å; H540-D543 WeakPolarHBondContact O-CB 3.32Å; H540-D543 PolarHBondContact O-N 3.19Å; D543-M547 WeakPolarHBondContact O-CB 3.32Å; D543-M547 PolarHBondContact O-N 2.92Å
544	F	93	Very high	85.2	Confident	24 Å²	24	58.8 Å²	58.8	11%	0.105	35%	0.349	C	S	.	.	H	α-helix	trans	-66.6	-49.3	177	170.1	-107.8	0	0	0	112.8	M454 F470 S472 H540 M542 E546 M547 C548	M454-F544 HydrophobicContact CB-CD2 4.22Å; M454-F544 HydrophobicContact CB-CE2 4.03Å; F470-F544 HydrophobicContact CB-CZ 4.36Å; S472-F544 VanDerWaalsContact N-CE2 3.3Å; H540-F544 WeakPolarHBondContact O-CB 3.46Å; H540-F544 PolarHBondContact O-N 3.41Å; M542-F544 PolarHBondContact O-N 3.4Å; F544-E546 PolarHBondContact O-N 3.34Å; F544-M547 PolarHBondContact O-N 2.75Å; F544-C548 WeakPolarHBondContact CE2-SG 3.35Å; F544-C548 VanDerWaalsContact CZ-SG 3.55Å; F544-C548 PolarHBondContact O-N 3.22Å; F544-C548 PolarHBondContact O-SG 2.86Å
545	F	93.6	Very high	87.4	Confident	116 Å²	116	56.3 Å²	56.3	51%	0.509	32%	0.323	S	S	.	.	H	α-helix	trans	-63.8	-39.6	-180	-70.9	-31.6	0	0	0	112.9	T541 M542 C548 A549	T541-F545 HydrophobicContact CG2-CD2 4.14Å; T541-F545 HydrophobicContact CG2-CE2 3.6Å; T541-F545 HydrophobicContact CG2-CZ 3.92Å; T541-F545 VanDerWaalsContact O-CD2 3.28Å; T541-F545 WeakPolarHBondContact O-CD2 3.28Å; T541-F545 VanDerWaalsContact O-CG 3.28Å; T541-F545 WeakPolarHBondContact O-CG 3.45Å; T541-F545 PolarHBondContact O-N 3.26Å; M542-F545 PolarHBondContact O-N 2.81Å; M542-F545 HydrophobicContact SD-CD2 4.29Å; F545-C548 PolarHBondContact O-N 2.89Å; F545-A549 WeakPolarHBondContact O-CB 3.46Å; F545-A549 PolarHBondContact O-N 3.27Å
546	E	93.6	Very high	88.8	Confident	91 Å²	91	56 Å²	56	43%	0.425	32%	0.321	S	S	.	.	H	α-helix	trans	-62.2	-42.4	173.5	-76.6	-173.5	-163.3	0	0	112.2	R443 M542 F544 C548 A549 S550	R443-E546 IonicContact NH1-OE2 3.72Å; M542-E546 WeakPolarHBondContact O-CG 3.34Å; M542-E546 PolarHBondContact O-N 2.71Å; F544-E546 PolarHBondContact O-N 3.34Å; E546-C548 VanDerWaalsContact C-N 3.33Å; E546-A549 PolarHBondContact O-N 3.06Å; E546-S550 WeakPolarHBondContact O-CB 3.43Å; E546-S550 PolarHBondContact O-N 2.87Å; E546-S550 PolarHBondContact O-OG 3.09Å
547	M	94.8	Very high	89.1	Confident	0 Å²	0	63 Å²	63	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-65.1	-38.7	178.6	-165.2	-175.3	167.5	0	0	111.2	F429 V441 R443 V452 M454 D543 F544 L551	F429-M547 HydrophobicContact CD2-CE 3.71Å; F429-M547 HydrophobicContact CE1-CG 4.45Å; F429-M547 HydrophobicContact CE2-CE 3.83Å; F429-M547 HydrophobicContact CE2-CG 3.73Å; F429-M547 HydrophobicContact CG-CE 4.16Å; F429-M547 HydrophobicContact CZ-CE 4.4Å; F429-M547 HydrophobicContact CZ-CG 3.68Å; V441-M547 HydrophobicContact CB-CE 4.01Å; V441-M547 HydrophobicContact CG1-CE 3.55Å; R443-M547 HydrophobicContact CB-CE 3.75Å; R443-M547 HydrophobicContact CB-CG 4.13Å; R443-M547 HydrophobicContact CB-SD 3.69Å; V452-M547 HydrophobicContact CB-SD 4.18Å; V452-M547 HydrophobicContact CG1-SD 3.91Å; M454-M547 HydrophobicContact CE-CB 3.89Å; M454-M547 HydrophobicContact CE-CE 3.94Å; M454-M547 HydrophobicContact CE-CG 3.48Å; M454-M547 VanDerWaalsContact CE-CG 3.48Å; M454-M547 HydrophobicContact CE-SD 3.78Å; M454-M547 HydrophobicContact CG-CE 4Å; M454-M547 HydrophobicContact CG-SD 4.25Å; D543-M547 WeakPolarHBondContact O-CB 3.32Å; D543-M547 PolarHBondContact O-N 2.92Å; F544-M547 PolarHBondContact O-N 2.75Å; M547-L551 PolarHBondContact O-N 3.49Å
548	C	95.7	Very high	89.9	Confident	11 Å²	11	59.3 Å²	59.3	7%	0.074	33%	0.332	C	S	.	.	H	α-helix	trans	-66.3	-50.3	173.1	-65.6	0	0	0	0	112.1	F470 F544 F545 E546 S550 L551 I552	F470-C548 HydrophobicContact CD1-CB 4.22Å; F544-C548 WeakPolarHBondContact CE2-SG 3.35Å; F544-C548 VanDerWaalsContact CZ-SG 3.55Å; F544-C548 PolarHBondContact O-N 3.22Å; F544-C548 PolarHBondContact O-SG 2.86Å; F545-C548 PolarHBondContact O-N 2.89Å; E546-C548 VanDerWaalsContact C-N 3.33Å; C548-S550 VanDerWaalsContact C-N 3.31Å; C548-S550 PolarHBondContact O-N 2.71Å; C548-L551 PolarHBondContact O-N 3.2Å; C548-L551 VanDerWaalsContact O-N 3.16Å; C548-I552 HydrophobicContact CB-CD1 4.44Å; C548-I552 WeakPolarHBondContact O-CB 3.02Å; C548-I552 VanDerWaalsContact O-CG1 3.3Å; C548-I552 WeakPolarHBondContact O-CG1 3.32Å; C548-I552 PolarHBondContact O-N 3.43Å
549	A	94.9	Very high	90.8	Very high	51 Å²	51	59.6 Å²	59.6	42%	0.421	32%	0.321	S	S	.	.	H	α-helix	trans	-60.1	-40.4	179.8	0	0	0	0	0	112.1	F545 E546 L551 T553	F545-A549 WeakPolarHBondContact O-CB 3.46Å; F545-A549 PolarHBondContact O-N 3.27Å; E546-A549 PolarHBondContact O-N 3.06Å; A549-L551 PolarHBondContact O-N 2.92Å; A549-T553 WeakPolarHBondContact O-CB 3.5Å; A549-T553 WeakPolarHBondContact O-CG2 3.22Å; A549-T553 PolarHBondContact O-N 3.44Å; A549-T553 PolarHBondContact O-OG1 3.14Å
550	S	95.1	Very high	91.1	Very high	33 Å²	33	59.6 Å²	59.6	23%	0.231	32%	0.315	C	S	.	.	H	α-helix	trans	-59.9	-44.8	175	-58.1	0	0	0	0	111.9	E546 C548 T553 T554	E546-S550 WeakPolarHBondContact O-CB 3.43Å; E546-S550 PolarHBondContact O-N 2.87Å; E546-S550 PolarHBondContact O-OG 3.09Å; C548-S550 VanDerWaalsContact C-N 3.31Å; C548-S550 PolarHBondContact O-N 2.71Å; S550-T553 PolarHBondContact O-OG1 2.93Å; S550-T554 WeakPolarHBondContact O-CB 3.31Å; S550-T554 PolarHBondContact O-N 3.37Å; S550-T554 PolarHBondContact O-OG1 3.25Å
551	L	96.1	Very high	91.4	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-71.1	-44.6	179.2	-175.1	55.1	0	0	0	112.1	A423 M424 L427 F429 L456 F470 M547 C548 A549 T553 T554 L555	A423-L551 HydrophobicContact CB-CD1 3.61Å; M424-L551 HydrophobicContact CG-CD1 4.09Å; M424-L551 HydrophobicContact CG-CD2 4.35Å; L427-L551 HydrophobicContact CD1-CB 4.21Å; L427-L551 HydrophobicContact CD1-CD1 4.11Å; F429-L551 HydrophobicContact CE2-CB 4.38Å; L456-L551 HydrophobicContact CD1-CD2 3.62Å; L456-L551 HydrophobicContact CD2-CD2 4.24Å; F470-L551 HydrophobicContact CE1-CD2 4.12Å; F470-L551 HydrophobicContact CE1-CG 4.45Å; M547-L551 PolarHBondContact O-N 3.49Å; C548-L551 PolarHBondContact O-N 3.2Å; C548-L551 VanDerWaalsContact O-N 3.16Å; A549-L551 PolarHBondContact O-N 2.92Å; L551-T553 PolarHBondContact O-N 3.01Å; L551-T554 PolarHBondContact O-N 3.19Å; L551-L555 HydrophobicContact CD1-CD1 4.09Å; L551-L555 HydrophobicContact CD1-CG 4.29Å; L551-L555 HydrophobicContact CG-CD1 3.96Å; L551-L555 WeakPolarHBondContact O-CG 3.41Å; L551-L555 PolarHBondContact O-N 3.13Å
552	I	95.5	Very high	91.7	Very high	58 Å²	58	60.3 Å²	60.3	30%	0.297	32%	0.315	S	S	.	.	H	α-helix	trans	-61.6	-45.1	178.3	-69.9	164	0	0	0	111.3	I407 F470 C548 T554 L555 A556	I407-I552 HydrophobicContact CG2-CD1 4.17Å; I407-I552 HydrophobicContact CG2-CG1 3.95Å; I407-I552 HydrophobicContact CG2-CG2 4.02Å; F470-I552 HydrophobicContact CE1-CD1 4.25Å; F470-I552 HydrophobicContact CE1-CG1 3.94Å; F470-I552 HydrophobicContact CE2-CD1 4.2Å; F470-I552 HydrophobicContact CE2-CG1 4.18Å; F470-I552 HydrophobicContact CZ-CD1 3.94Å; F470-I552 HydrophobicContact CZ-CG1 3.52Å; C548-I552 HydrophobicContact CB-CD1 4.44Å; C548-I552 WeakPolarHBondContact O-CB 3.02Å; C548-I552 VanDerWaalsContact O-CG1 3.3Å; C548-I552 WeakPolarHBondContact O-CG1 3.32Å; C548-I552 PolarHBondContact O-N 3.43Å; I552-T554 PolarHBondContact O-N 2.8Å; I552-L555 PolarHBondContact O-N 2.97Å; I552-A556 WeakPolarHBondContact O-CB 3.45Å; I552-A556 PolarHBondContact O-N 2.88Å; I552-A556 VanDerWaalsContact O-N 3.14Å
553	T	93.9	Very high	91.8	Very high	79 Å²	79	57.3 Å²	57.3	49%	0.485	30%	0.302	S	S	.	.	H	α-helix	trans	-71.7	-17.1	178.3	54.4	0	0	0	0	114	A549 S550 L551 R557	A549-T553 WeakPolarHBondContact O-CB 3.5Å; A549-T553 WeakPolarHBondContact O-CG2 3.22Å; A549-T553 PolarHBondContact O-N 3.44Å; A549-T553 PolarHBondContact O-OG1 3.14Å; S550-T553 PolarHBondContact O-OG1 2.93Å; L551-T553 PolarHBondContact O-N 3.01Å; T553-R557 WeakPolarHBondContact O-CG 3.47Å; T553-R557 PolarHBondContact O-NE 3.08Å
554	T	94.1	Very high	91.9	Very high	18 Å²	18	61.1 Å²	61.1	11%	0.11	32%	0.322	C	S	.	.	H	α-helix	trans	-84.6	-35.1	171.1	-55.4	0	0	0	0	111.3	A423 S550 L551 I552 A556	A423-T554 HydrophobicContact CB-CG2 3.66Å; S550-T554 WeakPolarHBondContact O-CB 3.31Å; S550-T554 PolarHBondContact O-N 3.37Å; S550-T554 PolarHBondContact O-OG1 3.25Å; L551-T554 PolarHBondContact O-N 3.19Å; I552-T554 PolarHBondContact O-N 2.8Å; T554-A556 VanDerWaalsContact C-N 3.26Å; T554-A556 PolarHBondContact O-N 2.95Å
555	L	91.6	Very high	91.8	Very high	42 Å²	42	63.9 Å²	63.9	22%	0.22	34%	0.339	C	S	.	.	H	α-helix	trans	-75.9	-8.4	175.1	-71.4	169.3	0	0	0	114.3	I407 E419 V420 A423 L468 L551 I552	I407-L555 HydrophobicContact CD1-CB 4.47Å; I407-L555 HydrophobicContact CD1-CD1 3.98Å; E419-L555 HydrophobicContact CB-CD2 3.84Å; V420-L555 HydrophobicContact CG2-CD1 4.11Å; V420-L555 HydrophobicContact CG2-CD2 4.24Å; A423-L555 HydrophobicContact CB-CD2 3.76Å; A423-L555 HydrophobicContact CB-CG 3.95Å; L468-L555 HydrophobicContact CD2-CD1 4.13Å; L551-L555 HydrophobicContact CD1-CD1 4.09Å; L551-L555 HydrophobicContact CD1-CG 4.29Å; L551-L555 HydrophobicContact CG-CD1 3.96Å; L551-L555 WeakPolarHBondContact O-CG 3.41Å; L551-L555 PolarHBondContact O-N 3.13Å; I552-L555 PolarHBondContact O-N 2.97Å
556	A	85.1	Confident	91.6	Very high	84 Å²	84	59.6 Å²	59.6	69%	0.694	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	16	178	0	0	0	0	0	113.4	I552 T554	I552-A556 WeakPolarHBondContact O-CB 3.45Å; I552-A556 PolarHBondContact O-N 2.88Å; I552-A556 VanDerWaalsContact O-N 3.14Å; T554-A556 VanDerWaalsContact C-N 3.26Å; T554-A556 PolarHBondContact O-N 2.95Å
557	R	69.2	Low	91.4	Very high	248 Å²	248	56.7 Å²	56.7	94%	0.936	32%	0.315	S	S	*	.			trans	-119.6	0	-179.3	-67.5	176.3	-177.1	-160	-0.7	110.9	T553	T553-R557 WeakPolarHBondContact O-CG 3.47Å; T553-R557 PolarHBondContact O-NE 3.08Å

Retrieved 557 of 557 residues in 838.8 ms (Link to these results)

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