A0A087XGN0_POEFO Loading...

ethanolamine kinase

AlphaFold DB , UniProt , Accession A0A087XGN0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 360 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	55.5	Low	72.4	Confident	182 Å²	182	73.2 Å²	73.2	90%	0.897	43%	0.425	S	S	*	.				0	-47.1	0	-83.6	-171.3	-97	0	0	111.8
2	E	57.3	Low	72.9	Confident	99 Å²	99	74.9 Å²	74.9	46%	0.463	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-13.3	-173	-59.6	164	137.1	0	0	116.2	P156 K157	E2-P156 WeakPolarHBondContact O-CA 3.48Å; E2-K157 HydrophobicContact CB-CB 4.36Å; E2-K157 HydrophobicContact CB-CD 4.09Å; E2-K157 HydrophobicContact CB-CG 4.1Å; E2-K157 VanDerWaalsContact CD-CE 3.46Å; E2-K157 PolarHBondContact O-N 2.96Å; E2-K157 IonicContact OE1-NZ 2.93Å; E2-K157 PolarHBondContact OE1-NZ 2.62Å; E2-K157 VanDerWaalsContact OE1-NZ 3.1Å; E2-K157 VanDerWaalsContact OE2-CD 3.25Å; E2-K157 WeakPolarHBondContact OE2-CD 3.43Å; E2-K157 WeakPolarHBondContact OE2-CE 3.37Å; E2-K157 IonicContact OE2-NZ 2.62Å; E2-K157 PolarHBondContact OE2-NZ 3.12Å
3	T	64.8	Low	73.7	Confident	36 Å²	36	80.2 Å²	80.2	22%	0.221	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-4.7	176.8	54.7	0	0	0	0	112.9	K157 I162	T3-K157 HydrophobicContact CG2-CB 3.94Å; T3-I162 HydrophobicContact CG2-CD1 3.92Å
4	Q	72.3	Confident	74.8	Confident	89 Å²	89	76.3 Å²	76.3	42%	0.416	45%	0.449	S	S	.	.	S	Bend	trans	-86.5	143.3	-173.4	-72.2	-175.1	-4	0	0	111.1	H6	Q4-H6 PolarHBondContact O-CD2 3.12Å; Q4-H6 VanDerWaalsContact O-CD2 3.26Å
5	I	79.6	Confident	76	Confident	2 Å²	2	78.8 Å²	78.8	1%	0.01	45%	0.448	C	S	.	.			trans	-77	133.9	171	-68.4	167.3	0	0	0	109.1	K92 S93 V96 L214 Y243	I5-K92 HydrophobicContact CB-CB 4.19Å; I5-K92 HydrophobicContact CG2-CB 4.05Å; I5-K92 WeakPolarHBondContact O-CD 3.16Å; I5-S93 WeakPolarHBondContact CD1-OG 3.45Å; I5-V96 HydrophobicContact CG2-CB 4.17Å; I5-V96 HydrophobicContact CG2-CG2 3.5Å; I5-L214 HydrophobicContact CD1-CD1 3.53Å; I5-L214 HydrophobicContact CG1-CD1 4.09Å; I5-Y243 HydrophobicContact CG1-CD2 4.06Å; I5-Y243 HydrophobicContact CG1-CE2 3.94Å
6	H	81.1	Confident	77.2	Confident	65 Å²	65	84.3 Å²	84.3	30%	0.301	47%	0.465	S	S	.	.			trans	-108.3	119.9	178	-67.4	-85.3	0	0	0	109.6	Q4 V96 N152	Q4-H6 PolarHBondContact O-CD2 3.12Å; Q4-H6 VanDerWaalsContact O-CD2 3.26Å; H6-V96 WeakPolarHBondContact O-CG2 3.31Å; H6-N152 PolarHBondContact CD2-ND2 3.23Å; H6-N152 VanDerWaalsContact CG-ND2 3.26Å; H6-N152 PolarHBondContact NE2-ND2 2.88Å; H6-N152 VanDerWaalsContact NE2-ND2 3.18Å
7	V	81.3	Confident	78.2	Confident	47 Å²	47	80.1 Å²	80.1	29%	0.285	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-71.6	129.7	178.1	177.6	0	0	0	0	108.9	S11 K92 Q95	V7-S11 VanDerWaalsContact CG1-OG 3.24Å; V7-S11 WeakPolarHBondContact CG1-OG 3.09Å; V7-K92 HydrophobicContact CG2-CB 3.82Å; V7-K92 HydrophobicContact CG2-CG 3.77Å; V7-Q95 HydrophobicContact CG1-CB 4.1Å; V7-Q95 HydrophobicContact CG2-CB 4.17Å
8	P	76.4	Confident	79.1	Confident	24 Å²	24	82.1 Å²	82.1	16%	0.156	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-59.1	143.9	-178.4	9.1	-17.5	0	0	0	112.1	G10 S11 A99	P8-G10 PolarHBondContact O-N 3.45Å; P8-S11 WeakPolarHBondContact CG-OG 3.47Å; P8-S11 VanDerWaalsContact O-CB 3.3Å; P8-S11 WeakPolarHBondContact O-CB 3.15Å; P8-S11 PolarHBondContact O-N 3Å; P8-S11 PolarHBondContact O-OG 3Å; P8-A99 HydrophobicContact CG-CB 4.18Å
9	V	76.4	Confident	79.8	Confident	157 Å²	157	79.9 Å²	79.9	95%	0.952	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	131.3	176.6	-179.7	0	0	0	0	109.4
10	G	74.6	Confident	80.5	Confident	76 Å²	76	82.5 Å²	82.5	78%	0.784	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	0.6	-176.2	0	0	0	0	0	114.8	P8	P8-G10 PolarHBondContact O-N 3.45Å
11	S	76.9	Confident	81.1	Confident	28 Å²	28	78.5 Å²	78.5	20%	0.196	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-57.7	138.4	170	-62.1	0	0	0	0	110.6	V7 P8 V13	V7-S11 VanDerWaalsContact CG1-OG 3.24Å; V7-S11 WeakPolarHBondContact CG1-OG 3.09Å; P8-S11 WeakPolarHBondContact CG-OG 3.47Å; P8-S11 VanDerWaalsContact O-CB 3.3Å; P8-S11 WeakPolarHBondContact O-CB 3.15Å; P8-S11 PolarHBondContact O-N 3Å; P8-S11 PolarHBondContact O-OG 3Å; S11-V13 PolarHBondContact O-N 3.21Å
12	P	79.1	Confident	82.8	Confident	94 Å²	94	73.6 Å²	73.6	61%	0.61	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-56.5	135.3	-179.7	-23.9	32.8	0	0	0	111.6	I14 Q95	P12-I14 PolarHBondContact O-N 2.76Å; P12-Q95 PolarHBondContact O-NE2 3.36Å
13	V	83.4	Confident	84	Confident	143 Å²	143	71.7 Å²	71.7	87%	0.867	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-65.9	122.2	169.8	179.8	0	0	0	0	107.9	S11 R15	S11-V13 PolarHBondContact O-N 3.21Å; V13-R15 PolarHBondContact O-N 3.09Å
14	I	88.8	Confident	85	Confident	26 Å²	26	77.4 Å²	77.4	13%	0.133	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-72.8	126.1	178	-53.8	-58.9	0	0	0	108.9	P12 K16 L91 Q95 L106 T109	P12-I14 PolarHBondContact O-N 2.76Å; I14-K16 PolarHBondContact O-N 3.19Å; I14-L91 HydrophobicContact CG1-CD1 4.42Å; I14-Q95 HydrophobicContact CD1-CG 4.22Å; I14-Q95 HydrophobicContact CG1-CG 4.1Å; I14-L106 HydrophobicContact CD1-CB 4.27Å; I14-L106 HydrophobicContact CD1-CD2 3.85Å; I14-L106 HydrophobicContact CD1-CG 4.22Å; I14-L106 HydrophobicContact CG1-CD2 3.89Å; I14-L106 HydrophobicContact CG2-CD2 3.92Å; I14-L106 HydrophobicContact CG2-CG 4.15Å; I14-T109 HydrophobicContact CG2-CG2 3.81Å
15	R	92.9	Very high	85.8	Confident	114 Å²	114	76.3 Å²	76.3	43%	0.43	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	128.3	175.3	-176.6	178.2	179.2	-166.9	-4.4	108.8	V13 I17 E36 C108 T109	V13-R15 PolarHBondContact O-N 3.09Å; R15-I17 HydrophobicContact CG-CG1 4.38Å; R15-E36 IonicContact CZ-OE2 2.78Å; R15-E36 PolarHBondContact NH1-O 3.25Å; R15-E36 IonicContact NH2-OE2 2.7Å; R15-E36 PolarHBondContact NH2-OE2 3.39Å; R15-C108 HydrophobicContact CB-CB 4.09Å; R15-C108 HydrophobicContact CG-CB 4.49Å; R15-C108 CarbonylContact O-C 3.53Å; R15-C108 WeakPolarHBondContact O-CA 3.48Å; R15-C108 WeakPolarHBondContact O-CB 3.38Å; R15-T109 PolarHBondContact O-N 2.73Å
16	K	94.3	Very high	86.3	Confident	166 Å²	166	76.9 Å²	76.9	72%	0.722	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	119.4	172.3	-62.3	-169.7	176.2	-175.2	0	109	I14 T109	I14-K16 PolarHBondContact O-N 3.19Å; K16-T109 WeakPolarHBondContact CA-O 3.42Å
17	I	95	Very high	86.9	Confident	13 Å²	13	78.6 Å²	78.6	7%	0.067	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-98	120.6	174.7	-58.4	-177.5	0	0	0	107.6	R15 M19 L33 E36 L37 C108 T109 F110	R15-I17 HydrophobicContact CG-CG1 4.38Å; I17-M19 HydrophobicContact CG2-CB 3.87Å; I17-M19 HydrophobicContact CG2-CE 4.46Å; I17-M19 PolarHBondContact O-N 2.85Å; I17-L33 HydrophobicContact CB-CD2 4.32Å; I17-L33 HydrophobicContact CD1-CD2 4.05Å; I17-L33 HydrophobicContact CG2-CD2 4.02Å; I17-E36 HydrophobicContact CD1-CB 4.12Å; I17-L37 HydrophobicContact CD1-CD2 4.16Å; I17-L37 HydrophobicContact CD1-CG 4.38Å; I17-C108 HydrophobicContact CD1-CB 4.17Å; I17-C108 HydrophobicContact CG1-CB 4.23Å; I17-T109 PolarHBondContact N-O 2.95Å; I17-F110 WeakPolarHBondContact O-CA 3.19Å
18	P	94	Very high	87.5	Confident	116 Å²	116	80.7 Å²	80.7	75%	0.753	44%	0.437	S	S	*	.			trans	-78.1	56.3	-177.6	34.6	-36.9	0	0	0	111.2
19	M	93.4	Very high	88.3	Confident	41 Å²	41	79.9 Å²	79.9	20%	0.202	43%	0.432	C	S	.	.			trans	-119.3	140.6	-178.8	-175.9	-178.5	-60.9	0	0	109.8	I17 K32 L33 Q111	I17-M19 HydrophobicContact CG2-CB 3.87Å; I17-M19 HydrophobicContact CG2-CE 4.46Å; I17-M19 PolarHBondContact O-N 2.85Å; M19-K32 HydrophobicContact CE-CB 3.74Å; M19-K32 HydrophobicContact SD-CB 3.84Å; M19-L33 HydrophobicContact CB-CD2 4.3Å; M19-L33 HydrophobicContact CE-CD2 4.21Å; M19-L33 HydrophobicContact CG-CD2 4.49Å; M19-L33 HydrophobicContact SD-CD2 3.64Å; M19-L33 HydrophobicContact SD-CG 3.66Å; M19-Q111 WeakPolarHBondContact O-CB 3.46Å; M19-Q111 WeakPolarHBondContact O-CG 3.26Å; M19-Q111 PolarHBondContact O-N 3.26Å
20	F	93.4	Very high	89.2	Confident	131 Å²	131	72.4 Å²	72.4	58%	0.575	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-102.5	135	166.7	-172.1	-92	0	0	0	109	Q111 N112	F20-Q111 HydrophobicContact CD2-CB 4.32Å; F20-N112 HydrophobicContact CD2-CB 4.11Å; F20-N112 HydrophobicContact CE2-CB 3.85Å
21	V	93.1	Very high	90.2	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-103.4	122.7	174.4	174.5	0	0	0	0	109	E23 V26 L33 V76 F110 N112	V21-E23 PolarHBondContact O-N 2.82Å; V21-V26 HydrophobicContact CG1-CG1 4.38Å; V21-L33 HydrophobicContact CG2-CD1 3.72Å; V21-V76 HydrophobicContact CB-CG2 3.94Å; V21-V76 HydrophobicContact CG1-CG2 3.61Å; V21-F110 HydrophobicContact CB-CE2 4.05Å; V21-F110 HydrophobicContact CG2-CD2 4.03Å; V21-F110 HydrophobicContact CG2-CE2 3.71Å; V21-F110 HydrophobicContact CG2-CZ 4.22Å; V21-N112 PolarHBondContact N-OD1 3.44Å; V21-N112 PolarHBondContact O-ND2 3.35Å
22	D	90	Very high	91	Very high	79 Å²	79	75.2 Å²	75.2	42%	0.422	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-62.1	122.9	172.9	-177.6	-2.9	0	0	0	110	H24 N25 V26	D22-H24 PolarHBondContact O-N 2.79Å; D22-H24 IonicContact OD1-CD2 3.6Å; D22-H24 IonicContact OD1-CG 3.91Å; D22-H24 PolarHBondContact OD1-N 3.17Å; D22-N25 HydrophobicContact CB-CB 4.42Å; D22-N25 CarbonylContact O-C 3.13Å; D22-N25 PolarHBondContact O-N 3.29Å; D22-V26 PolarHBondContact O-N 3.22Å; D22-V26 VanDerWaalsContact O-N 3.16Å
23	E	83.4	Confident	91.8	Very high	58 Å²	58	70.7 Å²	70.7	27%	0.271	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-19.5	-178.7	70.6	162.2	153.8	0	0	113.2	V21 K58	V21-E23 PolarHBondContact O-N 2.82Å; E23-K58 HydrophobicContact CB-CD 4.28Å; E23-K58 VanDerWaalsContact O-CD 3.26Å; E23-K58 WeakPolarHBondContact O-CD 3.09Å; E23-K58 WeakPolarHBondContact O-CE 3.43Å; E23-K58 PolarHBondContact O-NZ 3Å; E23-K58 IonicContact OE2-NZ 3.94Å; E23-K58 PolarHBondContact OE2-NZ 3.01Å
24	H	84.7	Confident	92.4	Very high	157 Å²	157	64 Å²	64	73%	0.727	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-13.7	173.8	-60.6	-67.1	0	0	0	112.4	D22	D22-H24 PolarHBondContact O-N 2.79Å; D22-H24 IonicContact OD1-CD2 3.6Å; D22-H24 IonicContact OD1-CG 3.91Å; D22-H24 PolarHBondContact OD1-N 3.17Å
25	N	88.9	Confident	92.7	Very high	65 Å²	65	68.7 Å²	68.7	35%	0.348	33%	0.326	S	S	.	.			trans	-139.9	57	-179.5	-167.5	-3.2	0	0	0	111.5	D22 K27 E28 G29	D22-N25 HydrophobicContact CB-CB 4.42Å; D22-N25 CarbonylContact O-C 3.13Å; D22-N25 PolarHBondContact O-N 3.29Å; N25-K27 PolarHBondContact O-N 3.43Å; N25-E28 PolarHBondContact ND2-OE2 3.34Å; N25-E28 PolarHBondContact O-N 3.3Å; N25-E28 VanDerWaalsContact OD1-CB 3.28Å; N25-E28 WeakPolarHBondContact OD1-CB 3.2Å; N25-E28 PolarHBondContact OD1-N 3.48Å; N25-G29 PolarHBondContact O-N 2.98Å
26	V	91.3	Very high	92.7	Very high	15 Å²	15	68 Å²	68	9%	0.091	33%	0.328	C	S	.	.	H	α-helix	trans	-60.2	-34.8	-176.9	-179.2	0	0	0	0	112	V21 D22 G29 A30 K58 V60 V76	V21-V26 HydrophobicContact CG1-CG1 4.38Å; D22-V26 PolarHBondContact O-N 3.22Å; D22-V26 VanDerWaalsContact O-N 3.16Å; V26-G29 PolarHBondContact O-N 3.43Å; V26-A30 VanDerWaalsContact O-CB 3.24Å; V26-A30 WeakPolarHBondContact O-CB 3.44Å; V26-A30 PolarHBondContact O-N 3.17Å; V26-K58 HydrophobicContact CG2-CB 4.03Å; V26-K58 HydrophobicContact CG2-CD 3.87Å; V26-V60 HydrophobicContact CB-CG2 4.21Å; V26-V60 HydrophobicContact CG1-CB 4.35Å; V26-V60 HydrophobicContact CG1-CG2 3.61Å; V26-V76 HydrophobicContact CG1-CG2 3.72Å; V26-V76 HydrophobicContact CG2-CG2 4.22Å
27	K	93.1	Very high	92.7	Very high	101 Å²	101	61.1 Å²	61.1	44%	0.439	30%	0.299	S	S	.	.	H	α-helix	trans	-62.9	-45.4	-178.7	-68.5	-175.7	-179.2	-178.3	0	112.1	N25 A30 L31 S50 V60	N25-K27 PolarHBondContact O-N 3.43Å; K27-A30 PolarHBondContact O-N 3.16Å; K27-L31 WeakPolarHBondContact O-CG 3.38Å; K27-L31 PolarHBondContact O-N 3.37Å; K27-S50 WeakPolarHBondContact CE-OG 3.35Å; K27-V60 HydrophobicContact CG-CG2 4.36Å
28	E	93.5	Very high	92.7	Very high	91 Å²	91	62.6 Å²	62.6	43%	0.425	30%	0.304	S	S	.	.	H	α-helix	trans	-65.6	-43.2	179.6	-169.8	-167.4	142.8	0	0	111.4	N25 A30 L31 K32	N25-E28 PolarHBondContact ND2-OE2 3.34Å; N25-E28 PolarHBondContact O-N 3.3Å; N25-E28 VanDerWaalsContact OD1-CB 3.28Å; N25-E28 WeakPolarHBondContact OD1-CB 3.2Å; N25-E28 PolarHBondContact OD1-N 3.48Å; E28-A30 VanDerWaalsContact C-N 3.35Å; E28-L31 PolarHBondContact O-N 3.33Å; E28-K32 PolarHBondContact O-N 2.68Å; E28-K32 WeakPolarHBondContact OE1-CE 3.26Å; E28-K32 IonicContact OE1-NZ 3.1Å; E28-K32 PolarHBondContact OE1-NZ 2.92Å
29	G	93.8	Very high	92.7	Very high	6 Å²	6	62.5 Å²	62.5	6%	0.062	30%	0.303	C	S	.	.	H	α-helix	trans	-63.1	-40.4	174.8	0	0	0	0	0	112.6	N25 V26 L31 K32 L33	N25-G29 PolarHBondContact O-N 2.98Å; V26-G29 PolarHBondContact O-N 3.43Å; G29-L31 PolarHBondContact O-N 3.33Å; G29-K32 PolarHBondContact O-N 2.89Å; G29-L33 PolarHBondContact O-N 2.7Å; G29-L33 VanDerWaalsContact O-N 3.07Å
30	A	95.2	Very high	92.7	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-58.7	-47.8	175.2	0	0	0	0	0	111.4	V26 K27 E28 K32 L33 I34 V60 V74	V26-A30 VanDerWaalsContact O-CB 3.24Å; V26-A30 WeakPolarHBondContact O-CB 3.44Å; V26-A30 PolarHBondContact O-N 3.17Å; K27-A30 PolarHBondContact O-N 3.16Å; E28-A30 VanDerWaalsContact C-N 3.35Å; A30-K32 VanDerWaalsContact C-N 3.27Å; A30-K32 PolarHBondContact O-N 2.94Å; A30-L33 WeakPolarHBondContact O-CB 3.36Å; A30-L33 PolarHBondContact O-N 3.46Å; A30-I34 WeakPolarHBondContact O-CG1 3.46Å; A30-I34 PolarHBondContact O-N 2.81Å; A30-V60 HydrophobicContact CB-CG1 4.34Å; A30-V74 HydrophobicContact CB-CB 3.97Å; A30-V74 HydrophobicContact CB-CG1 4.04Å; A30-V74 HydrophobicContact CB-CG2 3.83Å
31	L	95.3	Very high	92.8	Very high	63 Å²	63	60.2 Å²	60.2	33%	0.33	31%	0.308	S	S	.	.	H	α-helix	trans	-59.8	-35.7	177.9	-69.1	173.9	0	0	0	112.8	K27 E28 G29 I34 K35 V46 T48	K27-L31 WeakPolarHBondContact O-CG 3.38Å; K27-L31 PolarHBondContact O-N 3.37Å; E28-L31 PolarHBondContact O-N 3.33Å; G29-L31 PolarHBondContact O-N 3.33Å; L31-I34 PolarHBondContact O-N 2.89Å; L31-K35 WeakPolarHBondContact O-CG 3.32Å; L31-K35 PolarHBondContact O-N 2.83Å; L31-V46 HydrophobicContact CD2-CB 4Å; L31-V46 HydrophobicContact CD2-CG1 3.64Å; L31-T48 HydrophobicContact CD2-CG2 3.98Å; L31-T48 HydrophobicContact CG-CG2 4.39Å
32	K	95.1	Very high	92.7	Very high	100 Å²	100	66.5 Å²	66.5	44%	0.435	34%	0.338	S	S	.	.	H	α-helix	trans	-65.9	-40.9	174.1	-66.9	172.1	-173.2	165.8	0	111.8	M19 E28 G29 A30	M19-K32 HydrophobicContact CE-CB 3.74Å; M19-K32 HydrophobicContact SD-CB 3.84Å; E28-K32 PolarHBondContact O-N 2.68Å; E28-K32 WeakPolarHBondContact OE1-CE 3.26Å; E28-K32 IonicContact OE1-NZ 3.1Å; E28-K32 PolarHBondContact OE1-NZ 2.92Å; G29-K32 PolarHBondContact O-N 2.89Å; A30-K32 VanDerWaalsContact C-N 3.27Å; A30-K32 PolarHBondContact O-N 2.94Å
33	L	96.1	Very high	92.7	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-65.3	-39.3	174.7	-69.4	166.7	0	0	0	111.9	I17 M19 V21 G29 A30 K35 E36 L37 V74 F110	I17-L33 HydrophobicContact CB-CD2 4.32Å; I17-L33 HydrophobicContact CD1-CD2 4.05Å; I17-L33 HydrophobicContact CG2-CD2 4.02Å; M19-L33 HydrophobicContact CB-CD2 4.3Å; M19-L33 HydrophobicContact CE-CD2 4.21Å; M19-L33 HydrophobicContact CG-CD2 4.49Å; M19-L33 HydrophobicContact SD-CD2 3.64Å; M19-L33 HydrophobicContact SD-CG 3.66Å; V21-L33 HydrophobicContact CG2-CD1 3.72Å; G29-L33 PolarHBondContact O-N 2.7Å; G29-L33 VanDerWaalsContact O-N 3.07Å; A30-L33 WeakPolarHBondContact O-CB 3.36Å; A30-L33 PolarHBondContact O-N 3.46Å; L33-K35 PolarHBondContact O-N 3.09Å; L33-E36 WeakPolarHBondContact O-CB 3.23Å; L33-E36 PolarHBondContact O-N 3Å; L33-E36 VanDerWaalsContact O-N 3.15Å; L33-L37 WeakPolarHBondContact O-CG 3.12Å; L33-L37 PolarHBondContact O-N 2.81Å; L33-L37 VanDerWaalsContact O-N 3.1Å; L33-V74 HydrophobicContact CD1-CG1 3.68Å; L33-F110 HydrophobicContact CD1-CD1 3.73Å; L33-F110 HydrophobicContact CD1-CE1 3.69Å; L33-F110 HydrophobicContact CD1-CG 4.17Å; L33-F110 HydrophobicContact CD1-CZ 4.11Å; L33-F110 HydrophobicContact CD2-CB 4.26Å; L33-F110 HydrophobicContact CD2-CD1 4.25Å; L33-F110 HydrophobicContact CD2-CG 4.36Å
34	I	96	Very high	93.1	Very high	3 Å²	3	71 Å²	71	2%	0.015	37%	0.367	C	S	.	.	H	α-helix	trans	-63.9	-38.9	179.5	-65.4	-50.9	0	0	0	112.1	A30 L31 E36 L37 R38 W41 V46 C62 V72 V74	A30-I34 WeakPolarHBondContact O-CG1 3.46Å; A30-I34 PolarHBondContact O-N 2.81Å; L31-I34 PolarHBondContact O-N 2.89Å; I34-E36 PolarHBondContact O-N 2.94Å; I34-E36 VanDerWaalsContact O-N 3.15Å; I34-L37 PolarHBondContact O-N 3.22Å; I34-R38 HydrophobicContact CG2-CB 4.25Å; I34-R38 CarbonylContact O-C 3.59Å; I34-R38 PolarHBondContact O-N 3.4Å; I34-W41 HydrophobicContact CG2-CD2 4.46Å; I34-W41 HydrophobicContact CG2-CE3 3.45Å; I34-W41 VanDerWaalsContact CG2-CE3 3.45Å; I34-W41 HydrophobicContact CG2-CZ3 3.82Å; I34-V46 HydrophobicContact CG2-CG1 4.3Å; I34-V46 HydrophobicContact CG2-CG2 4.31Å; I34-C62 HydrophobicContact CD1-CB 3.67Å; I34-C62 HydrophobicContact CG1-CB 3.52Å; I34-V72 HydrophobicContact CD1-CB 3.6Å; I34-V72 HydrophobicContact CD1-CG1 3.56Å; I34-V72 HydrophobicContact CD1-CG2 4.16Å; I34-V74 HydrophobicContact CD1-CG2 4.41Å
35	K	94.3	Very high	93.6	Very high	124 Å²	124	66.3 Å²	66.3	54%	0.539	35%	0.351	S	S	.	.	H	α-helix	trans	-55.1	-33.9	174.6	-71.6	177.7	-180	-174.7	0	112.8	L31 L33	L31-K35 WeakPolarHBondContact O-CG 3.32Å; L31-K35 PolarHBondContact O-N 2.83Å; L33-K35 PolarHBondContact O-N 3.09Å
36	E	93.4	Very high	93.9	Very high	99 Å²	99	64.2 Å²	64.2	46%	0.463	34%	0.341	S	S	.	.	H	α-helix	trans	-81.3	-32	177.5	-71.9	-68.9	159.9	0	0	113.7	R15 I17 L33 I34	R15-E36 IonicContact CZ-OE2 2.78Å; R15-E36 PolarHBondContact NH1-O 3.25Å; R15-E36 IonicContact NH2-OE2 2.7Å; R15-E36 PolarHBondContact NH2-OE2 3.39Å; I17-E36 HydrophobicContact CD1-CB 4.12Å; L33-E36 WeakPolarHBondContact O-CB 3.23Å; L33-E36 PolarHBondContact O-N 3Å; L33-E36 VanDerWaalsContact O-N 3.15Å; I34-E36 PolarHBondContact O-N 2.94Å; I34-E36 VanDerWaalsContact O-N 3.15Å
37	L	94	Very high	94	Very high	22 Å²	22	69.8 Å²	69.8	12%	0.115	36%	0.36	C	S	.	.	H	α-helix	trans	-92.6	-26	-174.5	-68	178.5	0	0	0	113.8	I17 L33 I34 V72 C108 C115	I17-L37 HydrophobicContact CD1-CD2 4.16Å; I17-L37 HydrophobicContact CD1-CG 4.38Å; L33-L37 WeakPolarHBondContact O-CG 3.12Å; L33-L37 PolarHBondContact O-N 2.81Å; L33-L37 VanDerWaalsContact O-N 3.1Å; I34-L37 PolarHBondContact O-N 3.22Å; L37-V72 HydrophobicContact CD1-CG1 4.19Å; L37-C108 HydrophobicContact CD2-CB 4.1Å; L37-C115 HydrophobicContact CD1-CB 3.66Å
38	R	94.9	Very high	94.1	Very high	44 Å²	44	67 Å²	67	17%	0.166	35%	0.352	C	S	.	.			trans	-139.3	67.7	-178.9	-66.7	-66.3	-172.4	-75.6	-5.2	109.2	I34 A40 W41 D70 V72 Y107	I34-R38 HydrophobicContact CG2-CB 4.25Å; I34-R38 CarbonylContact O-C 3.59Å; I34-R38 PolarHBondContact O-N 3.4Å; R38-A40 PolarHBondContact O-N 2.9Å; R38-A40 VanDerWaalsContact O-N 3.09Å; R38-W41 HydrophobicContact CB-CB 4.2Å; R38-W41 HydrophobicContact CB-CD2 3.5Å; R38-W41 HydrophobicContact CB-CE3 3.89Å; R38-W41 HydrophobicContact CB-CG 3.64Å; R38-W41 HydrophobicContact CB-CZ2 4.47Å; R38-W41 HydrophobicContact CG-CD2 3.79Å; R38-W41 HydrophobicContact CG-CE3 4.07Å; R38-W41 HydrophobicContact CG-CG 4.36Å; R38-W41 HydrophobicContact CG-CH2 4.09Å; R38-W41 HydrophobicContact CG-CZ2 3.82Å; R38-W41 HydrophobicContact CG-CZ3 4.21Å; R38-W41 WeakPolarHBondContact O-CB 3.29Å; R38-W41 PolarHBondContact O-N 2.72Å; R38-D70 IonicContact CZ-OD1 3.17Å; R38-D70 IonicContact CZ-OD2 2.71Å; R38-D70 IonicContact NE-OD1 2.85Å; R38-D70 PolarHBondContact NE-OD1 3.26Å; R38-D70 IonicContact NE-OD2 2.63Å; R38-D70 PolarHBondContact NE-OD2 2.95Å; R38-D70 IonicContact NH2-OD1 3.98Å; R38-D70 PolarHBondContact NH2-OD1 3.45Å; R38-D70 IonicContact NH2-OD2 3.31Å; R38-V72 HydrophobicContact CG-CG2 4.36Å; R38-Y107 PolarHBondContact NH2-OH 3.32Å; R38-Y107 VanDerWaalsContact NH2-OH 3.14Å
39	P	93.6	Very high	94.1	Very high	114 Å²	114	68.5 Å²	68.5	74%	0.74	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-16.3	-178.6	26.9	-36	0	0	0	113.7
40	A	93.6	Very high	93.9	Very high	92 Å²	92	70.8 Å²	70.8	76%	0.76	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-8.6	175.4	0	0	0	0	0	113.7	R38	R38-A40 PolarHBondContact O-N 2.9Å; R38-A40 VanDerWaalsContact O-N 3.09Å
41	W	94.6	Very high	93.4	Very high	31 Å²	31	73.5 Å²	73.5	12%	0.117	38%	0.384	C	S	.	.	S	Bend	trans	-82.7	122.7	174.4	-69.2	1.8	0	0	0	109.7	I34 R38 P43 V46 C62 V64 D70 V72	I34-W41 HydrophobicContact CG2-CD2 4.46Å; I34-W41 HydrophobicContact CG2-CE3 3.45Å; I34-W41 VanDerWaalsContact CG2-CE3 3.45Å; I34-W41 HydrophobicContact CG2-CZ3 3.82Å; R38-W41 HydrophobicContact CB-CB 4.2Å; R38-W41 HydrophobicContact CB-CD2 3.5Å; R38-W41 HydrophobicContact CB-CE3 3.89Å; R38-W41 HydrophobicContact CB-CG 3.64Å; R38-W41 HydrophobicContact CB-CZ2 4.47Å; R38-W41 HydrophobicContact CG-CD2 3.79Å; R38-W41 HydrophobicContact CG-CE3 4.07Å; R38-W41 HydrophobicContact CG-CG 4.36Å; R38-W41 HydrophobicContact CG-CH2 4.09Å; R38-W41 HydrophobicContact CG-CZ2 3.82Å; R38-W41 HydrophobicContact CG-CZ3 4.21Å; R38-W41 WeakPolarHBondContact O-CB 3.29Å; R38-W41 PolarHBondContact O-N 2.72Å; W41-P43 WeakPolarHBondContact O-CD 3.39Å; W41-V46 HydrophobicContact CB-CG2 4.08Å; W41-V46 HydrophobicContact CE3-CG1 4.42Å; W41-V46 HydrophobicContact CE3-CG2 4.06Å; W41-C62 HydrophobicContact CZ3-CB 4.44Å; W41-V64 HydrophobicContact CB-CG1 4.03Å; W41-V64 HydrophobicContact CD2-CG1 3.79Å; W41-V64 HydrophobicContact CD2-CG2 4.3Å; W41-V64 HydrophobicContact CE3-CG1 3.98Å; W41-V64 HydrophobicContact CG-CG1 3.83Å; W41-V64 HydrophobicContact CG-CG2 4.42Å; W41-V64 HydrophobicContact CZ2-CG2 4.47Å; W41-D70 WeakPolarHBondContact CH2-O 3.41Å; W41-D70 HydrophobicContact CZ2-CB 4.08Å; W41-D70 WeakPolarHBondContact CZ2-O 3.16Å; W41-D70 WeakPolarHBondContact CZ2-OD2 3.36Å; W41-V72 HydrophobicContact CH2-CG2 4.13Å
42	E	92.9	Very high	92.4	Very high	133 Å²	133	76.4 Å²	76.4	62%	0.621	41%	0.405	S	S	*	.			trans	-61.1	122.3	174	-69.5	-58.9	150.5	0	0	109.9	D44 S45 V46	E42-D44 VanDerWaalsContact C-N 3.26Å; E42-D44 PolarHBondContact O-N 2.93Å; E42-D44 VanDerWaalsContact O-N 3.14Å; E42-S45 WeakPolarHBondContact O-CB 3.46Å; E42-S45 PolarHBondContact O-N 3.35Å; E42-V46 PolarHBondContact O-N 3.32Å
43	P	89.9	Confident	91	Very high	62 Å²	62	77.6 Å²	77.6	40%	0.403	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-55.3	-36.6	-171.2	-30.3	36.1	0	0	0	115	W41 S45 V46	W41-P43 WeakPolarHBondContact O-CD 3.39Å; P43-S45 VanDerWaalsContact C-N 3.28Å; P43-S45 PolarHBondContact O-N 3.02Å; P43-V46 PolarHBondContact O-N 3.43Å
44	D	91.6	Very high	89.5	Confident	170 Å²	170	80 Å²	80	91%	0.909	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-77.2	-15.5	-178.2	-64.5	-25.7	0	0	0	112.8	E42	E42-D44 VanDerWaalsContact C-N 3.26Å; E42-D44 PolarHBondContact O-N 2.93Å; E42-D44 VanDerWaalsContact O-N 3.14Å
45	S	93.8	Very high	88.1	Confident	57 Å²	57	82.5 Å²	82.5	40%	0.399	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-91.3	-10.1	176.9	-57.9	0	0	0	0	113	E42 P43 R47	E42-S45 WeakPolarHBondContact O-CB 3.46Å; E42-S45 PolarHBondContact O-N 3.35Å; P43-S45 VanDerWaalsContact C-N 3.28Å; P43-S45 PolarHBondContact O-N 3.02Å; S45-R47 PolarHBondContact O-N 3Å
46	V	95.3	Very high	86.7	Confident	21 Å²	21	77.3 Å²	77.3	13%	0.127	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	115.1	-180	-176.6	0	0	0	0	110.2	L31 I34 W41 E42 P43 C62 V64	L31-V46 HydrophobicContact CD2-CB 4Å; L31-V46 HydrophobicContact CD2-CG1 3.64Å; I34-V46 HydrophobicContact CG2-CG1 4.3Å; I34-V46 HydrophobicContact CG2-CG2 4.31Å; W41-V46 HydrophobicContact CB-CG2 4.08Å; W41-V46 HydrophobicContact CE3-CG1 4.42Å; W41-V46 HydrophobicContact CE3-CG2 4.06Å; E42-V46 PolarHBondContact O-N 3.32Å; P43-V46 PolarHBondContact O-N 3.43Å; V46-C62 HydrophobicContact CG1-CB 4.18Å; V46-V64 HydrophobicContact CG2-CG1 4.14Å
47	R	95.1	Very high	86	Confident	132 Å²	132	73.5 Å²	73.5	50%	0.498	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	152.3	172.5	-60.5	-167.9	-176.8	-165.7	7.9	110.6	S45 C62 Y63 D65	S45-R47 PolarHBondContact O-N 3Å; R47-C62 WeakPolarHBondContact O-CA 2.95Å; R47-Y63 HydrophobicContact CB-CD1 4.47Å; R47-Y63 HydrophobicContact CB-CD2 4.35Å; R47-Y63 HydrophobicContact CB-CE1 4.02Å; R47-Y63 HydrophobicContact CB-CE2 3.89Å; R47-Y63 HydrophobicContact CG-CE2 4.48Å; R47-Y63 PolarHBondContact N-O 3.3Å; R47-Y63 PolarHBondContact O-N 3.37Å; R47-D65 VanDerWaalsContact CD-OD1 3.3Å; R47-D65 WeakPolarHBondContact CD-OD1 3.28Å; R47-D65 IonicContact CZ-OD1 2.85Å; R47-D65 IonicContact CZ-OD2 3.36Å; R47-D65 IonicContact NE-OD1 3.54Å; R47-D65 PolarHBondContact NE-OD1 3.02Å; R47-D65 IonicContact NE-OD2 2.62Å; R47-D65 PolarHBondContact NE-OD2 3.2Å; R47-D65 IonicContact NH1-OD1 3.48Å; R47-D65 PolarHBondContact NH1-OD1 3.43Å; R47-D65 IonicContact NH1-OD2 2.77Å; R47-D65 VanDerWaalsContact NH2-CG 3.29Å; R47-D65 IonicContact NH2-OD1 3.65Å; R47-D65 PolarHBondContact NH2-OD1 3.06Å; R47-D65 IonicContact NH2-OD2 3.67Å; R47-D65 PolarHBondContact NH2-OD2 3.24Å
48	T	94.4	Very high	85.7	Confident	44 Å²	44	76.1 Å²	76.1	27%	0.27	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	142.3	177.2	61.6	0	0	0	0	111.5	L31 V60 G61	L31-T48 HydrophobicContact CD2-CG2 3.98Å; L31-T48 HydrophobicContact CG-CG2 4.39Å; T48-V60 HydrophobicContact CG2-CG1 4.25Å; T48-G61 CarbonylContact C-O 3.49Å; T48-G61 VanDerWaalsContact CA-O 3.28Å; T48-G61 WeakPolarHBondContact CA-O 3.3Å
49	K	92.9	Very high	85.5	Confident	121 Å²	121	75.8 Å²	75.8	53%	0.526	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	123.7	172.2	-176.7	177	179.2	-177.8	0	109.1	F51 V60 G61 Y63	K49-F51 HydrophobicContact CD-CZ 4.37Å; K49-V60 CarbonylContact O-C 3.22Å; K49-V60 WeakPolarHBondContact O-CA 3.36Å; K49-G61 PolarHBondContact N-O 3.25Å; K49-G61 PolarHBondContact O-N 2.9Å; K49-Y63 HydrophobicContact CB-CE1 4.33Å
50	S	90.3	Very high	85.6	Confident	55 Å²	55	70.5 Å²	70.5	39%	0.385	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	140	173.9	-63.6	0	0	0	0	110.1	K27	K27-S50 WeakPolarHBondContact CE-OG 3.35Å
51	F	84.6	Confident	85.7	Confident	56 Å²	56	66.2 Å²	66.2	25%	0.246	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.7	172.8	-61.2	-96.3	0	0	0	108.4	K49 L59 L73 F118	K49-F51 HydrophobicContact CD-CZ 4.37Å; F51-L59 HydrophobicContact CB-CB 4.09Å; F51-L59 HydrophobicContact CB-CD2 3.95Å; F51-L59 HydrophobicContact CB-CG 4.18Å; F51-L59 HydrophobicContact CD2-CD2 4.02Å; F51-L59 HydrophobicContact CD2-CG 3.92Å; F51-L59 HydrophobicContact CG-CD2 4.03Å; F51-L59 HydrophobicContact CG-CG 4.31Å; F51-L59 PolarHBondContact N-O 3.35Å; F51-L73 HydrophobicContact CD2-CD2 4.26Å; F51-L73 HydrophobicContact CE2-CD2 3.64Å; F51-L73 HydrophobicContact CZ-CD2 4.19Å; F51-F118 HydrophobicContact CE1-CE2 4.07Å; F51-F118 HydrophobicContact CZ-CD2 4.29Å; F51-F118 AromaticContact CZ-CE2 3.82Å; F51-F118 HydrophobicContact CZ-CE2 3.82Å
52	T	73.6	Confident	85.8	Confident	124 Å²	124	64.7 Å²	64.7	76%	0.761	35%	0.354	S	S	*	.			trans	-113.2	1.5	-171.2	50.2	0	0	0	0	113.7	G54	T52-G54 VanDerWaalsContact C-N 3.34Å; T52-G54 PolarHBondContact O-N 2.81Å
53	D	66.7	Low	85.9	Confident	125 Å²	125	61.2 Å²	61.2	67%	0.668	34%	0.335	S	S	*	.			trans	-80.9	-14	-172.4	-60.2	-32.2	0	0	0	113.6
54	G	64.9	Low	86.2	Confident	50 Å²	50	58.8 Å²	58.8	52%	0.515	32%	0.319	S	S	.	.			trans	-85	138.6	178.3	0	0	0	0	0	112	T52	T52-G54 VanDerWaalsContact C-N 3.34Å; T52-G54 PolarHBondContact O-N 2.81Å
55	T	65	Low	86.2	Confident	57 Å²	57	54.3 Å²	54.3	35%	0.35	30%	0.295	S	S	.	.	S	Bend	trans	-80.5	-45.5	175	52.8	0	0	0	0	110.7	I331	T55-I331 VanDerWaalsContact C-CD1 3.48Å; T55-I331 WeakPolarHBondContact O-CD1 3.47Å
56	T	66.1	Low	86	Confident	14 Å²	14	59.1 Å²	59.1	9%	0.086	32%	0.316	C	S	.	.	S	Bend	trans	-89.7	-21.5	-163.5	-61.1	0	0	0	0	114.3	G78 T81	T56-G78 WeakPolarHBondContact O-CA 3.39Å; T56-G78 PolarHBondContact O-N 3.27Å; T56-G78 VanDerWaalsContact O-N 3.15Å; T56-T81 HydrophobicContact CG2-CG2 3.41Å; T56-T81 VanDerWaalsContact CG2-CG2 3.41Å
57	N	79.3	Confident	85.7	Confident	20 Å²	20	60.3 Å²	60.3	11%	0.107	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	150.8	-169	-61.3	-56.3	0	0	0	111.8	R75 Y77 G78 E239	N57-R75 HydrophobicContact CB-CG 3.78Å; N57-Y77 WeakPolarHBondContact OD1-CA 3.37Å; N57-G78 PolarHBondContact OD1-N 3.49Å; N57-E239 PolarHBondContact ND2-OE2 3.49Å
58	K	87.1	Confident	85.1	Confident	76 Å²	76	57.6 Å²	57.6	33%	0.33	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	129.1	172.3	-67.5	171	-179	162.9	0	109.4	E23 V26 R75 V76	E23-K58 HydrophobicContact CB-CD 4.28Å; E23-K58 VanDerWaalsContact O-CD 3.26Å; E23-K58 WeakPolarHBondContact O-CD 3.09Å; E23-K58 WeakPolarHBondContact O-CE 3.43Å; E23-K58 PolarHBondContact O-NZ 3Å; E23-K58 IonicContact OE2-NZ 3.94Å; E23-K58 PolarHBondContact OE2-NZ 3.01Å; V26-K58 HydrophobicContact CG2-CB 4.03Å; V26-K58 HydrophobicContact CG2-CD 3.87Å; K58-R75 WeakPolarHBondContact O-CA 3.36Å; K58-V76 HydrophobicContact CB-CB 4.42Å; K58-V76 PolarHBondContact N-O 3.18Å; K58-V76 PolarHBondContact O-N 2.84Å
59	L	91.2	Very high	84.7	Confident	37 Å²	37	61.5 Å²	61.5	19%	0.194	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	129.4	-172.8	-175.5	68.2	0	0	0	111.8	F51 L73 R75	F51-L59 HydrophobicContact CB-CB 4.09Å; F51-L59 HydrophobicContact CB-CD2 3.95Å; F51-L59 HydrophobicContact CB-CG 4.18Å; F51-L59 HydrophobicContact CD2-CD2 4.02Å; F51-L59 HydrophobicContact CD2-CG 3.92Å; F51-L59 HydrophobicContact CG-CD2 4.03Å; F51-L59 HydrophobicContact CG-CG 4.31Å; F51-L59 PolarHBondContact N-O 3.35Å; L59-L73 HydrophobicContact CD1-CB 4.02Å; L59-L73 HydrophobicContact CD1-CD1 4.44Å; L59-L73 HydrophobicContact CD1-CD2 4.13Å; L59-L73 HydrophobicContact CD1-CG 4.43Å; L59-L73 HydrophobicContact CD2-CD1 4.48Å; L59-L73 HydrophobicContact CD2-CD2 4.32Å; L59-L73 HydrophobicContact CG-CD2 4.2Å; L59-R75 HydrophobicContact CD1-CB 3.74Å; L59-R75 HydrophobicContact CD1-CG 4.2Å
60	V	94.8	Very high	84.7	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.024	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	128.4	174.9	176.9	0	0	0	0	109.3	V26 K27 A30 T48 K49 V74	V26-V60 HydrophobicContact CB-CG2 4.21Å; V26-V60 HydrophobicContact CG1-CB 4.35Å; V26-V60 HydrophobicContact CG1-CG2 3.61Å; K27-V60 HydrophobicContact CG-CG2 4.36Å; A30-V60 HydrophobicContact CB-CG1 4.34Å; T48-V60 HydrophobicContact CG2-CG1 4.25Å; K49-V60 CarbonylContact O-C 3.22Å; K49-V60 WeakPolarHBondContact O-CA 3.36Å; V60-V74 PolarHBondContact N-O 3.36Å; V60-V74 PolarHBondContact O-N 3.34Å
61	G	95.6	Very high	84.9	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.01	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	133.7	168.5	0	0	0	0	0	110.8	T48 K49 V72	T48-G61 CarbonylContact C-O 3.49Å; T48-G61 VanDerWaalsContact CA-O 3.28Å; T48-G61 WeakPolarHBondContact CA-O 3.3Å; K49-G61 PolarHBondContact N-O 3.25Å; K49-G61 PolarHBondContact O-N 2.9Å; G61-V72 WeakPolarHBondContact CA-O 3.46Å
62	C	96.7	Very high	85.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.4	177	-59	0	0	0	0	109.7	I34 W41 V46 R47 V71 V72	I34-C62 HydrophobicContact CD1-CB 3.67Å; I34-C62 HydrophobicContact CG1-CB 3.52Å; W41-C62 HydrophobicContact CZ3-CB 4.44Å; V46-C62 HydrophobicContact CG1-CB 4.18Å; R47-C62 WeakPolarHBondContact O-CA 2.95Å; C62-V71 WeakPolarHBondContact O-CA 3.33Å; C62-V72 PolarHBondContact N-O 3.41Å; C62-V72 PolarHBondContact O-N 3.39Å
63	Y	96.1	Very high	86.6	Confident	60 Å²	60	47.8 Å²	47.8	24%	0.235	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	167	-177.3	64.3	-82.9	0	0	0	111	R47 K49	R47-Y63 HydrophobicContact CB-CD1 4.47Å; R47-Y63 HydrophobicContact CB-CD2 4.35Å; R47-Y63 HydrophobicContact CB-CE1 4.02Å; R47-Y63 HydrophobicContact CB-CE2 3.89Å; R47-Y63 HydrophobicContact CG-CE2 4.48Å; R47-Y63 PolarHBondContact N-O 3.3Å; R47-Y63 PolarHBondContact O-N 3.37Å; K49-Y63 HydrophobicContact CB-CE1 4.33Å
64	V	95.8	Very high	88	Confident	11 Å²	11	41.9 Å²	41.9	7%	0.067	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	147.4	171.1	-66.4	0	0	0	0	109.2	W41 V46 D66 S67	W41-V64 HydrophobicContact CB-CG1 4.03Å; W41-V64 HydrophobicContact CD2-CG1 3.79Å; W41-V64 HydrophobicContact CD2-CG2 4.3Å; W41-V64 HydrophobicContact CE3-CG1 3.98Å; W41-V64 HydrophobicContact CG-CG1 3.83Å; W41-V64 HydrophobicContact CG-CG2 4.42Å; W41-V64 HydrophobicContact CZ2-CG2 4.47Å; V46-V64 HydrophobicContact CG2-CG1 4.14Å; V64-D66 PolarHBondContact O-N 3.38Å; V64-S67 CarbonylContact O-C 3.52Å; V64-S67 PolarHBondContact O-N 2.83Å; V64-S67 VanDerWaalsContact O-N 3.16Å
65	D	91.3	Very high	89.4	Confident	75 Å²	75	39.7 Å²	39.7	40%	0.401	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-27.7	-176.5	-59.3	-57.8	0	0	0	113.3	R47 S67 P68	R47-D65 VanDerWaalsContact CD-OD1 3.3Å; R47-D65 WeakPolarHBondContact CD-OD1 3.28Å; R47-D65 IonicContact CZ-OD1 2.85Å; R47-D65 IonicContact CZ-OD2 3.36Å; R47-D65 IonicContact NE-OD1 3.54Å; R47-D65 PolarHBondContact NE-OD1 3.02Å; R47-D65 IonicContact NE-OD2 2.62Å; R47-D65 PolarHBondContact NE-OD2 3.2Å; R47-D65 IonicContact NH1-OD1 3.48Å; R47-D65 PolarHBondContact NH1-OD1 3.43Å; R47-D65 IonicContact NH1-OD2 2.77Å; R47-D65 VanDerWaalsContact NH2-CG 3.29Å; R47-D65 IonicContact NH2-OD1 3.65Å; R47-D65 PolarHBondContact NH2-OD1 3.06Å; R47-D65 IonicContact NH2-OD2 3.67Å; R47-D65 PolarHBondContact NH2-OD2 3.24Å; D65-S67 PolarHBondContact O-N 3.26Å; D65-P68 WeakPolarHBondContact O-CD 3.48Å
66	D	89.8	Confident	90.6	Very high	158 Å²	158	37 Å²	37	85%	0.845	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-18.6	179.1	-64.5	-23.6	0	0	0	112.5	V64	V64-D66 PolarHBondContact O-N 3.38Å
67	S	88.3	Confident	91.7	Very high	47 Å²	47	38.4 Å²	38.4	33%	0.329	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	68.1	179.4	-177.8	0	0	0	0	109.9	V64 D65 D69 D70	V64-S67 CarbonylContact O-C 3.52Å; V64-S67 PolarHBondContact O-N 2.83Å; V64-S67 VanDerWaalsContact O-N 3.16Å; D65-S67 PolarHBondContact O-N 3.26Å; S67-D69 PolarHBondContact O-N 2.86Å; S67-D69 VanDerWaalsContact O-N 3.1Å; S67-D70 PolarHBondContact O-N 2.96Å; S67-D70 VanDerWaalsContact O-N 3.1Å; S67-D70 WeakPolarHBondContact OG-CB 3.35Å
68	P	82.9	Confident	91.6	Very high	75 Å²	75	38.1 Å²	38.1	49%	0.487	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	-15.9	-171.8	29.3	-35.1	0	0	0	113	D65 V71	D65-P68 WeakPolarHBondContact O-CD 3.48Å; P68-V71 WeakPolarHBondContact O-CG2 3.37Å
69	D	85.9	Confident	90.8	Very high	126 Å²	126	39.1 Å²	39.1	67%	0.674	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85	-22.1	177.8	-62.3	-38.8	0	0	0	113	S67 V71	S67-D69 PolarHBondContact O-N 2.86Å; S67-D69 VanDerWaalsContact O-N 3.1Å; D69-V71 PolarHBondContact O-N 3.44Å; D69-V71 VanDerWaalsContact O-N 3.16Å
70	D	92.4	Very high	89.7	Confident	43 Å²	43	42.1 Å²	42.1	23%	0.23	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	83.1	174.1	-173.3	14.3	0	0	0	109.1	R38 W41 S67	R38-D70 IonicContact CZ-OD1 3.17Å; R38-D70 IonicContact CZ-OD2 2.71Å; R38-D70 IonicContact NE-OD1 2.85Å; R38-D70 PolarHBondContact NE-OD1 3.26Å; R38-D70 IonicContact NE-OD2 2.63Å; R38-D70 PolarHBondContact NE-OD2 2.95Å; R38-D70 IonicContact NH2-OD1 3.98Å; R38-D70 PolarHBondContact NH2-OD1 3.45Å; R38-D70 IonicContact NH2-OD2 3.31Å; W41-D70 WeakPolarHBondContact CH2-O 3.41Å; W41-D70 HydrophobicContact CZ2-CB 4.08Å; W41-D70 WeakPolarHBondContact CZ2-O 3.16Å; W41-D70 WeakPolarHBondContact CZ2-OD2 3.36Å; S67-D70 PolarHBondContact O-N 2.96Å; S67-D70 VanDerWaalsContact O-N 3.1Å; S67-D70 WeakPolarHBondContact OG-CB 3.35Å
71	V	95.6	Very high	88.7	Confident	15 Å²	15	42.3 Å²	42.3	9%	0.091	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.8	178.5	-173.4	0	0	0	0	109.8	C62 P68 D69 F118	C62-V71 WeakPolarHBondContact O-CA 3.33Å; P68-V71 WeakPolarHBondContact O-CG2 3.37Å; D69-V71 PolarHBondContact O-N 3.44Å; D69-V71 VanDerWaalsContact O-N 3.16Å; V71-F118 HydrophobicContact CB-CB 3.59Å; V71-F118 HydrophobicContact CB-CD1 4.37Å; V71-F118 HydrophobicContact CB-CG 4.11Å; V71-F118 HydrophobicContact CG1-CB 3.89Å; V71-F118 HydrophobicContact CG1-CG 4.2Å; V71-F118 HydrophobicContact CG2-CD1 4.45Å; V71-F118 PolarHBondContact O-N 3.03Å
72	V	96.8	Very high	87.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	119.6	173.7	179.1	0	0	0	0	109.1	I34 L37 R38 W41 G61 C62 Y107 C115	I34-V72 HydrophobicContact CD1-CB 3.6Å; I34-V72 HydrophobicContact CD1-CG1 3.56Å; I34-V72 HydrophobicContact CD1-CG2 4.16Å; L37-V72 HydrophobicContact CD1-CG1 4.19Å; R38-V72 HydrophobicContact CG-CG2 4.36Å; W41-V72 HydrophobicContact CH2-CG2 4.13Å; G61-V72 WeakPolarHBondContact CA-O 3.46Å; C62-V72 PolarHBondContact N-O 3.41Å; C62-V72 PolarHBondContact O-N 3.39Å; V72-Y107 HydrophobicContact CB-CE2 4.44Å; V72-Y107 HydrophobicContact CG1-CD2 4.01Å; V72-Y107 HydrophobicContact CG1-CE2 4.27Å; V72-Y107 HydrophobicContact CG2-CD2 4.31Å; V72-Y107 HydrophobicContact CG2-CE2 3.93Å; V72-C115 HydrophobicContact CG1-CB 4.22Å
73	L	96.4	Very high	86.6	Confident	10 Å²	10	51.5 Å²	51.5	5%	0.052	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	128.8	170.6	-71.4	-179.2	0	0	0	110.2	F51 L59 C115 Y116 F118	F51-L73 HydrophobicContact CD2-CD2 4.26Å; F51-L73 HydrophobicContact CE2-CD2 3.64Å; F51-L73 HydrophobicContact CZ-CD2 4.19Å; L59-L73 HydrophobicContact CD1-CB 4.02Å; L59-L73 HydrophobicContact CD1-CD1 4.44Å; L59-L73 HydrophobicContact CD1-CD2 4.13Å; L59-L73 HydrophobicContact CD1-CG 4.43Å; L59-L73 HydrophobicContact CD2-CD1 4.48Å; L59-L73 HydrophobicContact CD2-CD2 4.32Å; L59-L73 HydrophobicContact CG-CD2 4.2Å; L73-C115 CarbonylContact O-C 3.52Å; L73-C115 WeakPolarHBondContact O-CA 3.32Å; L73-Y116 HydrophobicContact CB-CD1 4.4Å; L73-Y116 HydrophobicContact CB-CD2 4.27Å; L73-Y116 HydrophobicContact CB-CE1 4.22Å; L73-Y116 HydrophobicContact CB-CE2 4.09Å; L73-Y116 HydrophobicContact CB-CG 4.41Å; L73-Y116 WeakPolarHBondContact CB-O 3.36Å; L73-Y116 HydrophobicContact CD1-CD2 3.99Å; L73-Y116 HydrophobicContact CD1-CE2 3.36Å; L73-Y116 HydrophobicContact CG-CE2 4.37Å; L73-Y116 PolarHBondContact N-O 3.2Å; L73-Y116 PolarHBondContact O-N 3.34Å; L73-F118 HydrophobicContact CD1-CB 4.36Å; L73-F118 HydrophobicContact CD1-CD2 3.96Å; L73-F118 HydrophobicContact CD2-CD2 3.92Å; L73-F118 HydrophobicContact CG-CB 4.09Å; L73-F118 HydrophobicContact CG-CD2 4.05Å
74	V	96.1	Very high	85.8	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	109.7	171.5	-176.9	0	0	0	0	107.7	A30 L33 I34 V60 F110	A30-V74 HydrophobicContact CB-CB 3.97Å; A30-V74 HydrophobicContact CB-CG1 4.04Å; A30-V74 HydrophobicContact CB-CG2 3.83Å; L33-V74 HydrophobicContact CD1-CG1 3.68Å; I34-V74 HydrophobicContact CD1-CG2 4.41Å; V60-V74 PolarHBondContact N-O 3.36Å; V60-V74 PolarHBondContact O-N 3.34Å; V74-F110 HydrophobicContact CG1-CE1 4.05Å; V74-F110 HydrophobicContact CG1-CZ 4.05Å
75	R	93.8	Very high	85.2	Confident	5 Å²	5	48.8 Å²	48.8	2%	0.019	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	119.7	178.5	-170.5	177.6	65.7	161.1	4.6	110.2	N57 K58 L59 E90 F110 G113 I114 Y116 D237	N57-R75 HydrophobicContact CB-CG 3.78Å; K58-R75 WeakPolarHBondContact O-CA 3.36Å; L59-R75 HydrophobicContact CD1-CB 3.74Å; L59-R75 HydrophobicContact CD1-CG 4.2Å; R75-E90 IonicContact CZ-OE1 3.75Å; R75-E90 VanDerWaalsContact CZ-OE1 3.31Å; R75-E90 IonicContact NH1-OE1 3.02Å; R75-E90 PolarHBondContact NH1-OE1 2.8Å; R75-E90 VanDerWaalsContact NH2-CD 3.31Å; R75-E90 IonicContact NH2-OE1 3.74Å; R75-E90 PolarHBondContact NH2-OE1 2.96Å; R75-E90 IonicContact NH2-OE2 3.91Å; R75-F110 WeakPolarHBondContact O-CZ 3.4Å; R75-G113 CarbonylContact O-C 3.58Å; R75-G113 WeakPolarHBondContact O-CA 3.36Å; R75-I114 HydrophobicContact CB-CG1 4.25Å; R75-I114 PolarHBondContact N-O 3.39Å; R75-I114 PolarHBondContact O-N 2.77Å; R75-Y116 HydrophobicContact CB-CE1 3.79Å; R75-D237 IonicContact NH1-OD1 2.72Å; R75-D237 PolarHBondContact NH1-OD1 3.44Å
76	V	91.2	Very high	85	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129.2	174.1	-177.7	0	0	0	0	108.4	V21 V26 K58 F110 N112	V21-V76 HydrophobicContact CB-CG2 3.94Å; V21-V76 HydrophobicContact CG1-CG2 3.61Å; V26-V76 HydrophobicContact CG1-CG2 3.72Å; V26-V76 HydrophobicContact CG2-CG2 4.22Å; K58-V76 HydrophobicContact CB-CB 4.42Å; K58-V76 PolarHBondContact N-O 3.18Å; K58-V76 PolarHBondContact O-N 2.84Å; V76-F110 HydrophobicContact CG2-CE2 4.23Å; V76-F110 HydrophobicContact CG2-CZ 4.07Å; V76-N112 WeakPolarHBondContact CG1-ND2 3.47Å
77	Y	88.3	Confident	84.9	Confident	43 Å²	43	43.8 Å²	43.8	17%	0.169	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	138.6	179.3	-56.4	-38	0	0	0	110.8	N57 R87 N112 I114	N57-Y77 WeakPolarHBondContact OD1-CA 3.37Å; Y77-R87 HydrophobicContact CD2-CG 4.38Å; Y77-R87 HydrophobicContact CE2-CG 4.08Å; Y77-N112 WeakPolarHBondContact CD2-O 3.21Å; Y77-N112 PolarHBondContact N-O 3.38Å; Y77-I114 WeakPolarHBondContact OH-CG2 3.27Å
78	G	77.2	Confident	84.8	Confident	15 Å²	15	47 Å²	47	16%	0.155	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-68.4	160	175.9	0	0	0	0	0	113.2	T56 N57 K80 T81	T56-G78 WeakPolarHBondContact O-CA 3.39Å; T56-G78 PolarHBondContact O-N 3.27Å; T56-G78 VanDerWaalsContact O-N 3.15Å; N57-G78 PolarHBondContact OD1-N 3.49Å; G78-K80 PolarHBondContact O-N 3.36Å; G78-T81 WeakPolarHBondContact O-CB 3.18Å; G78-T81 VanDerWaalsContact O-CG2 3.23Å; G78-T81 WeakPolarHBondContact O-CG2 3.45Å; G78-T81 PolarHBondContact O-N 3.01Å; G78-T81 PolarHBondContact O-OG1 2.92Å
79	N	70.3	Confident	85.1	Confident	96 Å²	96	44 Å²	44	51%	0.513	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	130.6	177.8	-171.7	23	0	0	0	111.8	T81	N79-T81 PolarHBondContact O-N 3.37Å; N79-T81 VanDerWaalsContact O-N 3.13Å
80	K	69.6	Low	85.4	Confident	100 Å²	100	38.2 Å²	38.2	44%	0.435	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	17.2	178.2	-61.4	-177.2	-178.7	174.3	0	116.2	G78 E82 L83 Y328	G78-K80 PolarHBondContact O-N 3.36Å; K80-E82 WeakPolarHBondContact CA-OE2 3.02Å; K80-E82 PolarHBondContact N-OE2 2.89Å; K80-E82 PolarHBondContact O-N 3.49Å; K80-L83 HydrophobicContact CB-CD1 4.07Å; K80-L83 HydrophobicContact CB-CG 4.46Å; K80-L83 WeakPolarHBondContact O-CB 3.33Å; K80-L83 WeakPolarHBondContact O-CG 3.46Å; K80-L83 PolarHBondContact O-N 2.96Å; K80-Y328 HydrophobicContact CD-CD1 4.48Å
81	T	72.3	Confident	85.3	Confident	8 Å²	8	37.8 Å²	37.8	5%	0.049	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-69.3	-19.1	179.8	54.6	0	0	0	0	112.5	T56 G78 N79 L83 I84 V85 R87	T56-T81 HydrophobicContact CG2-CG2 3.41Å; T56-T81 VanDerWaalsContact CG2-CG2 3.41Å; G78-T81 WeakPolarHBondContact O-CB 3.18Å; G78-T81 VanDerWaalsContact O-CG2 3.23Å; G78-T81 WeakPolarHBondContact O-CG2 3.45Å; G78-T81 PolarHBondContact O-N 3.01Å; G78-T81 PolarHBondContact O-OG1 2.92Å; N79-T81 PolarHBondContact O-N 3.37Å; N79-T81 VanDerWaalsContact O-N 3.13Å; T81-L83 PolarHBondContact O-N 3.45Å; T81-L83 VanDerWaalsContact O-N 3.14Å; T81-I84 WeakPolarHBondContact O-CG1 3.34Å; T81-I84 PolarHBondContact O-N 3.07Å; T81-I84 VanDerWaalsContact O-N 3.08Å; T81-V85 PolarHBondContact O-N 2.95Å; T81-R87 PolarHBondContact OG1-NH2 3.2Å
82	E	75.1	Confident	85.1	Confident	124 Å²	124	40.1 Å²	40.1	58%	0.579	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-61.2	-15.9	171.6	70.1	-80.5	-175.4	0	0	114.2	K80 I84	K80-E82 WeakPolarHBondContact CA-OE2 3.02Å; K80-E82 PolarHBondContact N-OE2 2.89Å; K80-E82 PolarHBondContact O-N 3.49Å; E82-I84 PolarHBondContact O-N 2.9Å
83	L	73.1	Confident	84.8	Confident	71 Å²	71	40.1 Å²	40.1	37%	0.372	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-67.1	-26.6	173.1	-65.8	176.8	0	0	0	112.7	K80 T81 L170 Y328	K80-L83 HydrophobicContact CB-CD1 4.07Å; K80-L83 HydrophobicContact CB-CG 4.46Å; K80-L83 WeakPolarHBondContact O-CB 3.33Å; K80-L83 WeakPolarHBondContact O-CG 3.46Å; K80-L83 PolarHBondContact O-N 2.96Å; T81-L83 PolarHBondContact O-N 3.45Å; T81-L83 VanDerWaalsContact O-N 3.14Å; L83-L170 WeakPolarHBondContact O-CD1 3.32Å; L83-Y328 HydrophobicContact CD1-CD2 4.28Å; L83-Y328 HydrophobicContact CD1-CG 4.27Å
84	I	80.4	Confident	84.6	Confident	9 Å²	9	40 Å²	40	5%	0.046	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.6	-20.2	-173.3	53.4	161.3	0	0	0	113.2	T81 E82 Y167 I324	T81-I84 WeakPolarHBondContact O-CG1 3.34Å; T81-I84 PolarHBondContact O-N 3.07Å; T81-I84 VanDerWaalsContact O-N 3.08Å; E82-I84 PolarHBondContact O-N 2.9Å; I84-Y167 HydrophobicContact CB-CE1 3.94Å; I84-Y167 HydrophobicContact CG2-CD1 4.32Å; I84-Y167 HydrophobicContact CG2-CE1 3.77Å; I84-Y167 PolarHBondContact O-OH 2.89Å; I84-I324 HydrophobicContact CG2-CD1 4.29Å; I84-I324 HydrophobicContact CG2-CG2 4.2Å
85	V	82.2	Confident	84.4	Confident	5 Å²	5	41.4 Å²	41.4	3%	0.03	21%	0.205	C	C	.	.			trans	-114	127.4	179.4	-174.6	0	0	0	0	111.5	T81 E239	T81-V85 PolarHBondContact O-N 2.95Å; V85-E239 HydrophobicContact CG1-CB 3.94Å; V85-E239 HydrophobicContact CG2-CB 4.49Å; V85-E239 HydrophobicContact CG2-CG 4.26Å
86	D	87.6	Confident	84.3	Confident	88 Å²	88	41.2 Å²	41.2	47%	0.471	21%	0.205	S	C	.	.			trans	-89	103.2	169.4	179.7	-19.7	0	0	0	109.3	D88 N89 E90	D86-D88 VanDerWaalsContact C-N 3.31Å; D86-D88 PolarHBondContact O-N 3.44Å; D86-D88 PolarHBondContact OD1-N 3.47Å; D86-N89 HydrophobicContact CB-CB 3.89Å; D86-N89 VanDerWaalsContact CG-CB 3.47Å; D86-N89 PolarHBondContact O-N 3.48Å; D86-N89 PolarHBondContact OD1-N 2.83Å; D86-E90 WeakPolarHBondContact O-CB 3.49Å; D86-E90 PolarHBondContact O-N 3.4Å
87	R	87.3	Confident	84.4	Confident	39 Å²	39	41.3 Å²	41.3	15%	0.147	21%	0.205	C	C	.	.	H	α-helix	trans	-68	-28.2	-176.1	-59.2	-57.7	-179.8	-172.4	-2.6	113.4	Y77 T81 E90 L91 E239	Y77-R87 HydrophobicContact CD2-CG 4.38Å; Y77-R87 HydrophobicContact CE2-CG 4.08Å; T81-R87 PolarHBondContact OG1-NH2 3.2Å; R87-E90 WeakPolarHBondContact CD-OE2 3.41Å; R87-E90 IonicContact CZ-OE2 3.93Å; R87-E90 IonicContact NE-OE2 2.89Å; R87-E90 IonicContact NH1-OE1 3.93Å; R87-E90 IonicContact NH1-OE2 3.72Å; R87-E90 PolarHBondContact NH1-OE2 2.95Å; R87-L91 WeakPolarHBondContact O-CB 3.33Å; R87-L91 PolarHBondContact O-N 3.29Å; R87-L91 VanDerWaalsContact O-N 3.07Å; R87-E239 IonicContact NH1-OE2 2.82Å; R87-E239 PolarHBondContact NH1-OE2 3.46Å; R87-E239 IonicContact NH2-OE2 3.76Å
88	D	87.5	Confident	84.6	Confident	115 Å²	115	42.8 Å²	42.8	62%	0.615	21%	0.213	S	C	*	.	H	α-helix	trans	-72.6	-42	175	-80.9	-16.6	0	0	0	110.5	D86 L91 K92	D86-D88 VanDerWaalsContact C-N 3.31Å; D86-D88 PolarHBondContact O-N 3.44Å; D86-D88 PolarHBondContact OD1-N 3.47Å; D88-L91 PolarHBondContact O-N 2.76Å; D88-K92 VanDerWaalsContact O-CG 3.24Å; D88-K92 WeakPolarHBondContact O-CG 3.3Å; D88-K92 PolarHBondContact O-N 3.03Å; D88-K92 VanDerWaalsContact O-N 3.13Å
89	N	88.8	Confident	85.3	Confident	13 Å²	13	44.9 Å²	44.9	7%	0.07	23%	0.229	C	C	.	.	H	α-helix	trans	-65.8	-42.8	174.9	-178.1	76.9	0	0	0	111.5	D86 L91 K92 S93 S241	D86-N89 HydrophobicContact CB-CB 3.89Å; D86-N89 VanDerWaalsContact CG-CB 3.47Å; D86-N89 PolarHBondContact O-N 3.48Å; D86-N89 PolarHBondContact OD1-N 2.83Å; N89-L91 PolarHBondContact O-N 3.36Å; N89-K92 PolarHBondContact O-N 2.94Å; N89-S93 PolarHBondContact O-N 2.77Å; N89-S93 PolarHBondContact O-OG 3.15Å; N89-S241 PolarHBondContact ND2-O 2.97Å
90	E	90.8	Very high	86.4	Confident	3 Å²	3	43.1 Å²	43.1	1%	0.014	22%	0.22	C	C	.	.	H	α-helix	trans	-54.2	-49.6	173.6	173.4	174.2	-143.8	0	0	111.9	R75 D86 R87 K92 S93 F94 E239	R75-E90 IonicContact CZ-OE1 3.75Å; R75-E90 VanDerWaalsContact CZ-OE1 3.31Å; R75-E90 IonicContact NH1-OE1 3.02Å; R75-E90 PolarHBondContact NH1-OE1 2.8Å; R75-E90 VanDerWaalsContact NH2-CD 3.31Å; R75-E90 IonicContact NH2-OE1 3.74Å; R75-E90 PolarHBondContact NH2-OE1 2.96Å; R75-E90 IonicContact NH2-OE2 3.91Å; D86-E90 WeakPolarHBondContact O-CB 3.49Å; D86-E90 PolarHBondContact O-N 3.4Å; R87-E90 WeakPolarHBondContact CD-OE2 3.41Å; R87-E90 IonicContact CZ-OE2 3.93Å; R87-E90 IonicContact NE-OE2 2.89Å; R87-E90 IonicContact NH1-OE1 3.93Å; R87-E90 IonicContact NH1-OE2 3.72Å; R87-E90 PolarHBondContact NH1-OE2 2.95Å; E90-K92 VanDerWaalsContact C-N 3.32Å; E90-K92 PolarHBondContact O-N 3.26Å; E90-S93 WeakPolarHBondContact O-CB 3.38Å; E90-S93 PolarHBondContact O-N 2.82Å; E90-F94 WeakPolarHBondContact O-CB 3.46Å; E90-F94 PolarHBondContact O-N 3.06Å; E90-E239 HydrophobicContact CG-CB 4.44Å; E90-E239 WeakPolarHBondContact OE1-CA 3.36Å; E90-E239 WeakPolarHBondContact OE1-CB 3.38Å
91	L	90.7	Very high	87.5	Confident	34 Å²	34	40 Å²	40	18%	0.178	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-42.8	178.9	-177.7	60.7	0	0	0	111.9	I14 R87 D88 N89 F94 Q95 L106 T109	I14-L91 HydrophobicContact CG1-CD1 4.42Å; R87-L91 WeakPolarHBondContact O-CB 3.33Å; R87-L91 PolarHBondContact O-N 3.29Å; R87-L91 VanDerWaalsContact O-N 3.07Å; D88-L91 PolarHBondContact O-N 2.76Å; N89-L91 PolarHBondContact O-N 3.36Å; L91-F94 WeakPolarHBondContact O-CB 3.26Å; L91-F94 PolarHBondContact O-N 3.49Å; L91-Q95 WeakPolarHBondContact O-CG 3.22Å; L91-Q95 PolarHBondContact O-N 2.78Å; L91-L106 HydrophobicContact CD1-CD2 3.28Å; L91-T109 HydrophobicContact CD1-CG2 3.7Å; L91-T109 HydrophobicContact CD2-CG2 4.07Å
92	K	90.9	Very high	88.5	Confident	65 Å²	65	39.7 Å²	39.7	28%	0.283	22%	0.215	S	C	.	.	H	α-helix	trans	-65.3	-43.5	177.2	-67.6	168.9	-176.7	174.7	0	111.6	I5 V7 D88 N89 E90 F94 Q95 V96	I5-K92 HydrophobicContact CB-CB 4.19Å; I5-K92 HydrophobicContact CG2-CB 4.05Å; I5-K92 WeakPolarHBondContact O-CD 3.16Å; V7-K92 HydrophobicContact CG2-CB 3.82Å; V7-K92 HydrophobicContact CG2-CG 3.77Å; D88-K92 VanDerWaalsContact O-CG 3.24Å; D88-K92 WeakPolarHBondContact O-CG 3.3Å; D88-K92 PolarHBondContact O-N 3.03Å; D88-K92 VanDerWaalsContact O-N 3.13Å; N89-K92 PolarHBondContact O-N 2.94Å; E90-K92 VanDerWaalsContact C-N 3.32Å; E90-K92 PolarHBondContact O-N 3.26Å; K92-F94 VanDerWaalsContact C-N 3.32Å; K92-F94 PolarHBondContact O-N 3.23Å; K92-Q95 PolarHBondContact O-N 3.14Å; K92-V96 WeakPolarHBondContact O-CG2 3.29Å; K92-V96 PolarHBondContact O-N 3.24Å
93	S	91.4	Very high	89.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-54.8	-50.2	173.1	-60.8	0	0	0	0	110.7	I5 N89 E90 Q95 V96 L97 S241	I5-S93 WeakPolarHBondContact CD1-OG 3.45Å; N89-S93 PolarHBondContact O-N 2.77Å; N89-S93 PolarHBondContact O-OG 3.15Å; E90-S93 WeakPolarHBondContact O-CB 3.38Å; E90-S93 PolarHBondContact O-N 2.82Å; S93-Q95 VanDerWaalsContact C-N 3.34Å; S93-Q95 PolarHBondContact O-N 3.35Å; S93-V96 PolarHBondContact O-N 3.33Å; S93-L97 WeakPolarHBondContact O-CB 3.49Å; S93-L97 WeakPolarHBondContact O-CD1 2.98Å; S93-L97 VanDerWaalsContact O-CG 3.24Å; S93-L97 WeakPolarHBondContact O-CG 3.06Å; S93-L97 PolarHBondContact O-N 3.36Å; S93-S241 PolarHBondContact OG-O 3.45Å
94	F	92	Very high	90.4	Very high	6 Å²	6	31.1 Å²	31.1	3%	0.026	18%	0.175	C	C	.	.	H	α-helix	trans	-58	-46.6	-179	-147.6	-59.5	0	0	0	111.4	E90 L91 K92 L97 H98 A103 P104 L106 I114 Y116 Y238	E90-F94 WeakPolarHBondContact O-CB 3.46Å; E90-F94 PolarHBondContact O-N 3.06Å; L91-F94 WeakPolarHBondContact O-CB 3.26Å; L91-F94 PolarHBondContact O-N 3.49Å; K92-F94 VanDerWaalsContact C-N 3.32Å; K92-F94 PolarHBondContact O-N 3.23Å; F94-L97 PolarHBondContact O-N 3.29Å; F94-H98 VanDerWaalsContact O-CB 3.29Å; F94-H98 WeakPolarHBondContact O-CB 3.37Å; F94-H98 PolarHBondContact O-N 3.09Å; F94-A103 HydrophobicContact CD1-CB 4.14Å; F94-A103 HydrophobicContact CE1-CB 4.13Å; F94-P104 HydrophobicContact CE1-CG 4.14Å; F94-P104 VanDerWaalsContact CE1-O 3.31Å; F94-P104 WeakPolarHBondContact CE1-O 3.1Å; F94-P104 HydrophobicContact CZ-CG 3.91Å; F94-L106 HydrophobicContact CD1-CB 4.03Å; F94-L106 HydrophobicContact CE1-CB 4.02Å; F94-I114 HydrophobicContact CD2-CD1 4.16Å; F94-I114 HydrophobicContact CE2-CD1 3.83Å; F94-Y116 HydrophobicContact CE2-CG 4.43Å; F94-Y116 HydrophobicContact CZ-CD2 4.04Å; F94-Y116 AromaticContact CZ-CG 3.92Å; F94-Y116 HydrophobicContact CZ-CG 3.92Å; F94-Y238 AromaticContact CD2-CD2 3.99Å; F94-Y238 HydrophobicContact CD2-CD2 3.99Å; F94-Y238 HydrophobicContact CE2-CD2 4.18Å; F94-Y238 HydrophobicContact CE2-CE2 4.49Å; F94-Y238 HydrophobicContact CG-CD2 4.34Å
95	Q	91.4	Very high	90.9	Very high	31 Å²	31	37.5 Å²	37.5	15%	0.145	20%	0.198	C	C	.	.	H	α-helix	trans	-63.4	-43.3	178.4	-71.3	-179.6	-74.3	0	0	112.5	V7 P12 I14 L91 K92 S93 A99	V7-Q95 HydrophobicContact CG1-CB 4.1Å; V7-Q95 HydrophobicContact CG2-CB 4.17Å; P12-Q95 PolarHBondContact O-NE2 3.36Å; I14-Q95 HydrophobicContact CD1-CG 4.22Å; I14-Q95 HydrophobicContact CG1-CG 4.1Å; L91-Q95 WeakPolarHBondContact O-CG 3.22Å; L91-Q95 PolarHBondContact O-N 2.78Å; K92-Q95 PolarHBondContact O-N 3.14Å; S93-Q95 VanDerWaalsContact C-N 3.34Å; S93-Q95 PolarHBondContact O-N 3.35Å; Q95-A99 WeakPolarHBondContact O-CB 3.42Å; Q95-A99 PolarHBondContact O-N 2.91Å
96	V	92.5	Very high	91.5	Very high	1 Å²	1	38 Å²	38	1%	0.006	20%	0.2	C	C	.	.	H	α-helix	trans	-64.5	-45.9	177.8	170.4	0	0	0	0	111.1	I5 H6 K92 S93 A99 N100 I148 L214	I5-V96 HydrophobicContact CG2-CB 4.17Å; I5-V96 HydrophobicContact CG2-CG2 3.5Å; H6-V96 WeakPolarHBondContact O-CG2 3.31Å; K92-V96 WeakPolarHBondContact O-CG2 3.29Å; K92-V96 PolarHBondContact O-N 3.24Å; S93-V96 PolarHBondContact O-N 3.33Å; V96-A99 PolarHBondContact O-N 3.15Å; V96-N100 PolarHBondContact O-N 2.82Å; V96-N100 PolarHBondContact O-ND2 3.16Å; V96-I148 HydrophobicContact CG1-CG2 3.75Å; V96-L214 HydrophobicContact CG1-CD2 3.98Å
97	L	93.9	Very high	91.8	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-63.7	-43.5	178.8	-69.5	164.5	0	0	0	111.3	S93 F94 A99 N100 G101 C102 A103 I145 I148 L214 Y238	S93-L97 WeakPolarHBondContact O-CB 3.49Å; S93-L97 WeakPolarHBondContact O-CD1 2.98Å; S93-L97 VanDerWaalsContact O-CG 3.24Å; S93-L97 WeakPolarHBondContact O-CG 3.06Å; S93-L97 PolarHBondContact O-N 3.36Å; F94-L97 PolarHBondContact O-N 3.29Å; L97-A99 PolarHBondContact O-N 3.28Å; L97-N100 CarbonylContact O-C 3.52Å; L97-N100 PolarHBondContact O-N 2.93Å; L97-N100 VanDerWaalsContact O-N 3.14Å; L97-G101 PolarHBondContact O-N 3.46Å; L97-G101 VanDerWaalsContact O-N 3.15Å; L97-C102 HydrophobicContact CB-CB 4.26Å; L97-C102 HydrophobicContact CD2-CB 3.99Å; L97-C102 PolarHBondContact O-N 3Å; L97-A103 HydrophobicContact CB-CB 3.54Å; L97-A103 PolarHBondContact O-N 3.24Å; L97-I145 HydrophobicContact CD2-CB 4.46Å; L97-I145 HydrophobicContact CD2-CD1 4.24Å; L97-I145 HydrophobicContact CD2-CG1 4.02Å; L97-I145 HydrophobicContact CD2-CG2 3.78Å; L97-I148 HydrophobicContact CD2-CD1 4Å; L97-L214 HydrophobicContact CD2-CD2 4.06Å; L97-L214 HydrophobicContact CG-CD2 4.45Å; L97-Y238 HydrophobicContact CD1-CD1 3.33Å; L97-Y238 HydrophobicContact CD1-CD2 3.87Å; L97-Y238 HydrophobicContact CD1-CE1 3.69Å; L97-Y238 HydrophobicContact CD1-CE2 4.17Å; L97-Y238 HydrophobicContact CD1-CG 3.41Å; L97-Y238 VanDerWaalsContact CD1-CG 3.41Å
98	H	92.6	Very high	92.2	Very high	73 Å²	73	33.4 Å²	33.4	34%	0.338	18%	0.177	S	C	.	.	H	α-helix	trans	-62.8	-43.4	176.9	170.9	-91.8	0	0	0	111.5	F94 N100 G101 A103 P104	F94-H98 VanDerWaalsContact O-CB 3.29Å; F94-H98 WeakPolarHBondContact O-CB 3.37Å; F94-H98 PolarHBondContact O-N 3.09Å; H98-N100 PolarHBondContact O-N 3.18Å; H98-N100 VanDerWaalsContact O-N 3.1Å; H98-G101 PolarHBondContact O-N 3.38Å; H98-A103 HydrophobicContact CB-CB 4.25Å; H98-P104 PolarHBondContact CD2-O 2.84Å; H98-P104 VanDerWaalsContact CD2-O 3.22Å
99	A	91.8	Very high	92.6	Very high	59 Å²	59	28.8 Å²	28.8	49%	0.488	15%	0.153	S	C	.	.	H	α-helix	trans	-60.4	-21.8	176.9	0	0	0	0	0	113.4	P8 Q95 V96 L97	P8-A99 HydrophobicContact CG-CB 4.18Å; Q95-A99 WeakPolarHBondContact O-CB 3.42Å; Q95-A99 PolarHBondContact O-N 2.91Å; V96-A99 PolarHBondContact O-N 3.15Å; L97-A99 PolarHBondContact O-N 3.28Å
100	N	92.4	Very high	92.9	Very high	59 Å²	59	28.7 Å²	28.7	32%	0.316	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	6.8	175.9	-69.8	-86.3	0	0	0	113.2	V96 L97 H98 C102 R144 I148	V96-N100 PolarHBondContact O-N 2.82Å; V96-N100 PolarHBondContact O-ND2 3.16Å; L97-N100 CarbonylContact O-C 3.52Å; L97-N100 PolarHBondContact O-N 2.93Å; L97-N100 VanDerWaalsContact O-N 3.14Å; H98-N100 PolarHBondContact O-N 3.18Å; H98-N100 VanDerWaalsContact O-N 3.1Å; N100-C102 VanDerWaalsContact C-N 3.31Å; N100-C102 PolarHBondContact O-N 2.95Å; N100-R144 PolarHBondContact O-NH2 2.71Å; N100-I148 HydrophobicContact CB-CD1 3.62Å; N100-I148 HydrophobicContact CB-CG1 3.95Å
101	G	92.3	Very high	93	Very high	36 Å²	36	34.8 Å²	34.8	37%	0.371	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	27.6	-179.8	0	0	0	0	0	114.2	L97 H98 R144	L97-G101 PolarHBondContact O-N 3.46Å; L97-G101 VanDerWaalsContact O-N 3.15Å; H98-G101 PolarHBondContact O-N 3.38Å; G101-R144 PolarHBondContact O-NH1 2.89Å; G101-R144 PolarHBondContact O-NH2 3.25Å
102	C	94.4	Very high	93.1	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.007	18%	0.177	C	C	.	.	S	Bend	trans	-106.6	-6.3	179.1	-60.2	0	0	0	0	113.2	L97 N100 I145 Y238	L97-C102 HydrophobicContact CB-CB 4.26Å; L97-C102 HydrophobicContact CD2-CB 3.99Å; L97-C102 PolarHBondContact O-N 3Å; N100-C102 VanDerWaalsContact C-N 3.31Å; N100-C102 PolarHBondContact O-N 2.95Å; C102-I145 HydrophobicContact CB-CD1 4.49Å; C102-I145 HydrophobicContact CB-CG1 3.92Å; C102-Y238 PolarHBondContact O-OH 2.94Å
103	A	93.8	Very high	93.2	Very high	10 Å²	10	31 Å²	31	8%	0.083	16%	0.163	C	C	.	.	S	Bend	trans	-134.1	152.8	175.4	0	0	0	0	0	111.5	F94 L97 H98 Y238	F94-A103 HydrophobicContact CD1-CB 4.14Å; F94-A103 HydrophobicContact CE1-CB 4.13Å; L97-A103 HydrophobicContact CB-CB 3.54Å; L97-A103 PolarHBondContact O-N 3.24Å; H98-A103 HydrophobicContact CB-CB 4.25Å; A103-Y238 WeakPolarHBondContact CA-OH 3.48Å; A103-Y238 HydrophobicContact CB-CD2 4.29Å; A103-Y238 HydrophobicContact CB-CE2 3.4Å; A103-Y238 VanDerWaalsContact CB-CE2 3.4Å
104	P	93.3	Very high	93.3	Very high	4 Å²	4	31.2 Å²	31.2	3%	0.026	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-58.8	167.7	173.8	18.3	-28.4	0	0	0	112.6	F94 H98 L106 Y116 E117 M119	F94-P104 HydrophobicContact CE1-CG 4.14Å; F94-P104 VanDerWaalsContact CE1-O 3.31Å; F94-P104 WeakPolarHBondContact CE1-O 3.1Å; F94-P104 HydrophobicContact CZ-CG 3.91Å; H98-P104 PolarHBondContact CD2-O 2.84Å; H98-P104 VanDerWaalsContact CD2-O 3.22Å; P104-L106 PolarHBondContact O-N 3.15Å; P104-Y116 HydrophobicContact CG-CD2 3.98Å; P104-E117 HydrophobicContact CB-CB 3.89Å; P104-E117 HydrophobicContact CB-CG 4.4Å; P104-E117 WeakPolarHBondContact CB-O 3.36Å; P104-M119 HydrophobicContact CB-CG 3.96Å; P104-M119 HydrophobicContact CB-SD 3.64Å; P104-M119 HydrophobicContact CG-CG 3.9Å; P104-M119 HydrophobicContact CG-SD 4.06Å
105	R	92.3	Very high	93.5	Very high	144 Å²	144	30.9 Å²	30.9	54%	0.543	16%	0.163	S	C	.	.	P	Polyproline II helix	trans	-67.6	124.6	172.5	-173.3	172.7	177.7	-177.8	1.4	111.7	Y107 Y116 E117	R105-Y107 HydrophobicContact CB-CE1 4.42Å; R105-Y107 HydrophobicContact CG-CD1 4.22Å; R105-Y107 HydrophobicContact CG-CE1 4.06Å; R105-Y116 CarbonylContact O-C 3.53Å; R105-Y116 VanDerWaalsContact O-CA 3.26Å; R105-Y116 WeakPolarHBondContact O-CA 3.26Å; R105-Y116 WeakPolarHBondContact O-CB 3.45Å; R105-E117 HydrophobicContact CB-CB 4.07Å; R105-E117 WeakPolarHBondContact CB-OE2 3.21Å; R105-E117 PolarHBondContact N-OE2 3.46Å; R105-E117 PolarHBondContact O-N 3.02Å
106	L	93.8	Very high	93.7	Very high	14 Å²	14	30.4 Å²	30.4	7%	0.073	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	117.8	168.8	-174.7	66.4	0	0	0	109.9	I14 L91 F94 P104 I114	I14-L106 HydrophobicContact CD1-CB 4.27Å; I14-L106 HydrophobicContact CD1-CD2 3.85Å; I14-L106 HydrophobicContact CD1-CG 4.22Å; I14-L106 HydrophobicContact CG1-CD2 3.89Å; I14-L106 HydrophobicContact CG2-CD2 3.92Å; I14-L106 HydrophobicContact CG2-CG 4.15Å; L91-L106 HydrophobicContact CD1-CD2 3.28Å; F94-L106 HydrophobicContact CD1-CB 4.03Å; F94-L106 HydrophobicContact CE1-CB 4.02Å; P104-L106 PolarHBondContact O-N 3.15Å; L106-I114 HydrophobicContact CD1-CB 3.93Å; L106-I114 HydrophobicContact CD1-CD1 4.05Å; L106-I114 HydrophobicContact CD1-CG2 4.26Å
107	Y	94.9	Very high	93.9	Very high	32 Å²	32	34 Å²	34	13%	0.125	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-48.8	-177.3	-63	-57.1	0	0	0	112.5	R38 V72 R105 C115 Y116 E117	R38-Y107 PolarHBondContact NH2-OH 3.32Å; R38-Y107 VanDerWaalsContact NH2-OH 3.14Å; V72-Y107 HydrophobicContact CB-CE2 4.44Å; V72-Y107 HydrophobicContact CG1-CD2 4.01Å; V72-Y107 HydrophobicContact CG1-CE2 4.27Å; V72-Y107 HydrophobicContact CG2-CD2 4.31Å; V72-Y107 HydrophobicContact CG2-CE2 3.93Å; R105-Y107 HydrophobicContact CB-CE1 4.42Å; R105-Y107 HydrophobicContact CG-CD1 4.22Å; R105-Y107 HydrophobicContact CG-CE1 4.06Å; Y107-C115 WeakPolarHBondContact CB-O 3.39Å; Y107-C115 PolarHBondContact N-O 2.9Å; Y107-Y116 VanDerWaalsContact CE2-C 3.43Å; Y107-E117 HydrophobicContact CE2-CB 4.02Å; Y107-E117 VanDerWaalsContact CE2-N 3.34Å
108	C	95.3	Very high	93.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	165.8	178.7	71.2	0	0	0	0	112	R15 I17 L37 C115	R15-C108 HydrophobicContact CB-CB 4.09Å; R15-C108 HydrophobicContact CG-CB 4.49Å; R15-C108 CarbonylContact O-C 3.53Å; R15-C108 WeakPolarHBondContact O-CA 3.48Å; R15-C108 WeakPolarHBondContact O-CB 3.38Å; I17-C108 HydrophobicContact CD1-CB 4.17Å; I17-C108 HydrophobicContact CG1-CB 4.23Å; L37-C108 HydrophobicContact CD2-CB 4.1Å; C108-C115 PolarHBondContact N-O 2.96Å; C108-C115 PolarHBondContact O-N 3.4Å
109	T	95.8	Very high	93.9	Very high	17 Å²	17	34.5 Å²	34.5	10%	0.104	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	155.5	160.8	74.5	0	0	0	0	110.2	I14 R15 K16 I17 L91 I114	I14-T109 HydrophobicContact CG2-CG2 3.81Å; R15-T109 PolarHBondContact O-N 2.73Å; K16-T109 WeakPolarHBondContact CA-O 3.42Å; I17-T109 PolarHBondContact N-O 2.95Å; L91-T109 HydrophobicContact CD1-CG2 3.7Å; L91-T109 HydrophobicContact CD2-CG2 4.07Å; T109-I114 HydrophobicContact CG2-CG2 3.87Å
110	F	95.2	Very high	93.9	Very high	12 Å²	12	35.4 Å²	35.4	5%	0.053	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	178.8	170.4	58.3	-92	0	0	0	109.6	I17 V21 L33 V74 R75 V76 N112 G113 I114	I17-F110 WeakPolarHBondContact O-CA 3.19Å; V21-F110 HydrophobicContact CB-CE2 4.05Å; V21-F110 HydrophobicContact CG2-CD2 4.03Å; V21-F110 HydrophobicContact CG2-CE2 3.71Å; V21-F110 HydrophobicContact CG2-CZ 4.22Å; L33-F110 HydrophobicContact CD1-CD1 3.73Å; L33-F110 HydrophobicContact CD1-CE1 3.69Å; L33-F110 HydrophobicContact CD1-CG 4.17Å; L33-F110 HydrophobicContact CD1-CZ 4.11Å; L33-F110 HydrophobicContact CD2-CB 4.26Å; L33-F110 HydrophobicContact CD2-CD1 4.25Å; L33-F110 HydrophobicContact CD2-CG 4.36Å; V74-F110 HydrophobicContact CG1-CE1 4.05Å; V74-F110 HydrophobicContact CG1-CZ 4.05Å; R75-F110 WeakPolarHBondContact O-CZ 3.4Å; V76-F110 HydrophobicContact CG2-CE2 4.23Å; V76-F110 HydrophobicContact CG2-CZ 4.07Å; F110-N112 WeakPolarHBondContact CD2-OD1 3.41Å; F110-N112 WeakPolarHBondContact CE2-OD1 3.33Å; F110-N112 PolarHBondContact O-N 2.97Å; F110-N112 VanDerWaalsContact O-N 3.1Å; F110-G113 VanDerWaalsContact CE2-CA 3.43Å; F110-G113 VanDerWaalsContact CE2-N 3.32Å; F110-G113 PolarHBondContact N-O 3.47Å; F110-G113 PolarHBondContact O-N 3.04Å; F110-I114 VanDerWaalsContact CE1-N 3.28Å
111	Q	92.4	Very high	94	Very high	130 Å²	130	34 Å²	34	61%	0.607	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-33.9	-166.5	-68.8	-176.3	1.1	0	0	113.6	M19 F20	M19-Q111 WeakPolarHBondContact O-CB 3.46Å; M19-Q111 WeakPolarHBondContact O-CG 3.26Å; M19-Q111 PolarHBondContact O-N 3.26Å; F20-Q111 HydrophobicContact CD2-CB 4.32Å
112	N	92.3	Very high	94.1	Very high	20 Å²	20	37.8 Å²	37.8	11%	0.107	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.9	34.6	-177.5	65.1	-35.3	0	0	0	113	F20 V21 V76 Y77 F110	F20-N112 HydrophobicContact CD2-CB 4.11Å; F20-N112 HydrophobicContact CE2-CB 3.85Å; V21-N112 PolarHBondContact N-OD1 3.44Å; V21-N112 PolarHBondContact O-ND2 3.35Å; V76-N112 WeakPolarHBondContact CG1-ND2 3.47Å; Y77-N112 WeakPolarHBondContact CD2-O 3.21Å; Y77-N112 PolarHBondContact N-O 3.38Å; F110-N112 WeakPolarHBondContact CD2-OD1 3.41Å; F110-N112 WeakPolarHBondContact CE2-OD1 3.33Å; F110-N112 PolarHBondContact O-N 2.97Å; F110-N112 VanDerWaalsContact O-N 3.1Å
113	G	93.3	Very high	94.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.8	-167.8	176.7	0	0	0	0	0	116.3	R75 F110	R75-G113 CarbonylContact O-C 3.58Å; R75-G113 WeakPolarHBondContact O-CA 3.36Å; F110-G113 VanDerWaalsContact CE2-CA 3.43Å; F110-G113 VanDerWaalsContact CE2-N 3.32Å; F110-G113 PolarHBondContact N-O 3.47Å; F110-G113 PolarHBondContact O-N 3.04Å
114	I	94.9	Very high	94.2	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	153.5	-179.5	57.9	167.4	0	0	0	112.4	R75 Y77 F94 L106 T109 F110 Y116	R75-I114 HydrophobicContact CB-CG1 4.25Å; R75-I114 PolarHBondContact N-O 3.39Å; R75-I114 PolarHBondContact O-N 2.77Å; Y77-I114 WeakPolarHBondContact OH-CG2 3.27Å; F94-I114 HydrophobicContact CD2-CD1 4.16Å; F94-I114 HydrophobicContact CE2-CD1 3.83Å; L106-I114 HydrophobicContact CD1-CB 3.93Å; L106-I114 HydrophobicContact CD1-CD1 4.05Å; L106-I114 HydrophobicContact CD1-CG2 4.26Å; T109-I114 HydrophobicContact CG2-CG2 3.87Å; F110-I114 VanDerWaalsContact CE1-N 3.28Å; I114-Y116 HydrophobicContact CD1-CD1 3.64Å; I114-Y116 HydrophobicContact CD1-CE1 3.88Å; I114-Y116 HydrophobicContact CG1-CD1 3.83Å; I114-Y116 HydrophobicContact CG1-CE1 4.01Å
115	C	96.1	Very high	94.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.8	168.3	-59.5	0	0	0	0	110.4	L37 V72 L73 Y107 C108	L37-C115 HydrophobicContact CD1-CB 3.66Å; V72-C115 HydrophobicContact CG1-CB 4.22Å; L73-C115 CarbonylContact O-C 3.52Å; L73-C115 WeakPolarHBondContact O-CA 3.32Å; Y107-C115 WeakPolarHBondContact CB-O 3.39Å; Y107-C115 PolarHBondContact N-O 2.9Å; C108-C115 PolarHBondContact N-O 2.96Å; C108-C115 PolarHBondContact O-N 3.4Å
116	Y	95.6	Very high	94.1	Very high	20 Å²	20	34.4 Å²	34.4	8%	0.078	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	167.4	-177.4	58.6	-80.6	0	0	0	111.8	L73 R75 F94 P104 R105 Y107 I114	L73-Y116 HydrophobicContact CB-CD1 4.4Å; L73-Y116 HydrophobicContact CB-CD2 4.27Å; L73-Y116 HydrophobicContact CB-CE1 4.22Å; L73-Y116 HydrophobicContact CB-CE2 4.09Å; L73-Y116 HydrophobicContact CB-CG 4.41Å; L73-Y116 WeakPolarHBondContact CB-O 3.36Å; L73-Y116 HydrophobicContact CD1-CD2 3.99Å; L73-Y116 HydrophobicContact CD1-CE2 3.36Å; L73-Y116 HydrophobicContact CG-CE2 4.37Å; L73-Y116 PolarHBondContact N-O 3.2Å; L73-Y116 PolarHBondContact O-N 3.34Å; R75-Y116 HydrophobicContact CB-CE1 3.79Å; F94-Y116 HydrophobicContact CE2-CG 4.43Å; F94-Y116 HydrophobicContact CZ-CD2 4.04Å; F94-Y116 AromaticContact CZ-CG 3.92Å; F94-Y116 HydrophobicContact CZ-CG 3.92Å; P104-Y116 HydrophobicContact CG-CD2 3.98Å; R105-Y116 CarbonylContact O-C 3.53Å; R105-Y116 VanDerWaalsContact O-CA 3.26Å; R105-Y116 WeakPolarHBondContact O-CA 3.26Å; R105-Y116 WeakPolarHBondContact O-CB 3.45Å; Y107-Y116 VanDerWaalsContact CE2-C 3.43Å; I114-Y116 HydrophobicContact CD1-CD1 3.64Å; I114-Y116 HydrophobicContact CD1-CE1 3.88Å; I114-Y116 HydrophobicContact CG1-CD1 3.83Å; I114-Y116 HydrophobicContact CG1-CE1 4.01Å
117	E	95.3	Very high	94	Very high	77 Å²	77	39 Å²	39	36%	0.36	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	140	178.8	173.6	179.3	-142.7	0	0	111.9	P104 R105 Y107	P104-E117 HydrophobicContact CB-CB 3.89Å; P104-E117 HydrophobicContact CB-CG 4.4Å; P104-E117 WeakPolarHBondContact CB-O 3.36Å; R105-E117 HydrophobicContact CB-CB 4.07Å; R105-E117 WeakPolarHBondContact CB-OE2 3.21Å; R105-E117 PolarHBondContact N-OE2 3.46Å; R105-E117 PolarHBondContact O-N 3.02Å; Y107-E117 HydrophobicContact CE2-CB 4.02Å; Y107-E117 VanDerWaalsContact CE2-N 3.34Å
118	F	94.5	Very high	93.9	Very high	50 Å²	50	39.8 Å²	39.8	22%	0.219	21%	0.211	C	C	.	.			trans	-74.6	130	171.4	-179.3	-105.3	0	0	0	110.9	F51 V71 L73 Q120	F51-F118 HydrophobicContact CE1-CE2 4.07Å; F51-F118 HydrophobicContact CZ-CD2 4.29Å; F51-F118 AromaticContact CZ-CE2 3.82Å; F51-F118 HydrophobicContact CZ-CE2 3.82Å; V71-F118 HydrophobicContact CB-CB 3.59Å; V71-F118 HydrophobicContact CB-CD1 4.37Å; V71-F118 HydrophobicContact CB-CG 4.11Å; V71-F118 HydrophobicContact CG1-CB 3.89Å; V71-F118 HydrophobicContact CG1-CG 4.2Å; V71-F118 HydrophobicContact CG2-CD1 4.45Å; V71-F118 PolarHBondContact O-N 3.03Å; L73-F118 HydrophobicContact CD1-CB 4.36Å; L73-F118 HydrophobicContact CD1-CD2 3.96Å; L73-F118 HydrophobicContact CD2-CD2 3.92Å; L73-F118 HydrophobicContact CG-CB 4.09Å; L73-F118 HydrophobicContact CG-CD2 4.05Å; F118-Q120 HydrophobicContact CD1-CG 4.49Å
119	M	92.7	Very high	93.8	Very high	35 Å²	35	39.8 Å²	39.8	17%	0.172	21%	0.211	C	C	.	.			trans	-86.9	115.7	175.3	-65.9	-67.4	-75.9	0	0	109.6	P104 I225 R234 I236	P104-M119 HydrophobicContact CB-CG 3.96Å; P104-M119 HydrophobicContact CB-SD 3.64Å; P104-M119 HydrophobicContact CG-CG 3.9Å; P104-M119 HydrophobicContact CG-SD 4.06Å; M119-I225 HydrophobicContact CB-CG2 4.49Å; M119-R234 HydrophobicContact CE-CB 3.29Å; M119-R234 HydrophobicContact CE-CG 3.3Å; M119-I236 HydrophobicContact CB-CG2 4.33Å; M119-I236 HydrophobicContact CG-CG2 3.96Å
120	Q	92.3	Very high	93.6	Very high	79 Å²	79	43.9 Å²	43.9	37%	0.369	23%	0.225	S	C	.	.			trans	-68.4	131.6	178.6	-63.3	-66.3	-15.7	0	0	111.2	F118 N227	F118-Q120 HydrophobicContact CD1-CG 4.49Å; Q120-N227 WeakPolarHBondContact O-CB 3.17Å; Q120-N227 PolarHBondContact O-ND2 3.28Å
121	G	94	Very high	93.6	Very high	30 Å²	30	46.3 Å²	46.3	31%	0.309	24%	0.238	S	C	.	.	S	Bend	trans	141.1	-176.4	178.6	0	0	0	0	0	112.4	H226	G121-H226 CarbonylContact C-O 3.54Å; G121-H226 VanDerWaalsContact CA-O 3.23Å; G121-H226 WeakPolarHBondContact CA-O 3.44Å
122	D	94.5	Very high	93.6	Very high	114 Å²	114	43.7 Å²	43.7	61%	0.61	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	134.5	-179.3	-62.7	-59	0	0	0	110.4	L124 H226	D122-L124 PolarHBondContact O-N 2.92Å; D122-H226 PolarHBondContact N-O 3.35Å; D122-H226 PolarHBondContact O-N 3.33Å
123	A	94.3	Very high	93.7	Very high	40 Å²	40	47 Å²	47	33%	0.331	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	125.6	174.3	0	0	0	0	0	110.4	K222 I224 I225	A123-K222 HydrophobicContact CB-CD 4.1Å; A123-I224 WeakPolarHBondContact CA-O 3.26Å; A123-I225 HydrophobicContact CB-CD1 3.75Å
124	L	95.1	Very high	93.9	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.031	26%	0.257	C	S	.	.			trans	-69.6	157.7	-175.8	-62.1	-167.4	0	0	0	113	D122 D128 L134 I138 C221 K222 I224 H226	D122-L124 PolarHBondContact O-N 2.92Å; L124-D128 HydrophobicContact CB-CB 3.98Å; L124-D128 HydrophobicContact CD1-CB 4.22Å; L124-D128 HydrophobicContact CD2-CB 3.78Å; L124-D128 HydrophobicContact CG-CB 4.2Å; L124-L134 HydrophobicContact CD1-CD1 4.29Å; L124-L134 HydrophobicContact CD2-CD1 4.18Å; L124-I138 HydrophobicContact CD1-CD1 4.05Å; L124-C221 CarbonylContact O-C 3.54Å; L124-C221 WeakPolarHBondContact O-CB 3.18Å; L124-K222 WeakPolarHBondContact O-CD 3.24Å; L124-K222 PolarHBondContact O-N 2.89Å; L124-I224 HydrophobicContact CB-CB 4.35Å; L124-I224 HydrophobicContact CD1-CB 4.08Å; L124-I224 HydrophobicContact CD1-CG2 3.59Å; L124-I224 HydrophobicContact CG-CB 4.19Å; L124-I224 HydrophobicContact CG-CG2 4.04Å; L124-I224 PolarHBondContact N-O 3.25Å; L124-H226 HydrophobicContact CD2-CB 3.59Å; L124-H226 HydrophobicContact CG-CB 4.28Å
125	G	92.8	Very high	94	Very high	3 Å²	3	48 Å²	48	3%	0.031	26%	0.259	C	S	.	.			trans	-120.6	178.2	169.4	0	0	0	0	0	113.2	Q127 D128 V129	G125-Q127 PolarHBondContact O-N 3.25Å; G125-Q127 VanDerWaalsContact O-N 3.14Å; G125-D128 PolarHBondContact N-OD2 2.69Å; G125-D128 WeakPolarHBondContact O-CB 3.32Å; G125-D128 PolarHBondContact O-N 2.98Å; G125-V129 PolarHBondContact O-N 2.95Å
126	P	91.1	Very high	94	Very high	40 Å²	40	54.2 Å²	54.2	26%	0.26	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.7	-178.7	-27	36.4	0	0	0	114.8	V129 R130	P126-V129 WeakPolarHBondContact O-CG2 3.41Å; P126-R130 PolarHBondContact O-NE 2.88Å
127	Q	91.2	Very high	94.2	Very high	109 Å²	109	55.3 Å²	55.3	51%	0.509	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-35	173	68.7	-73.5	-8.2	0	0	113.3	G125 R130	G125-Q127 PolarHBondContact O-N 3.25Å; G125-Q127 VanDerWaalsContact O-N 3.14Å; Q127-R130 PolarHBondContact O-N 2.93Å
128	D	94.1	Very high	94.3	Very high	49 Å²	49	51.7 Å²	51.7	26%	0.262	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-78.1	-35.6	-172.8	-55.1	-55.7	0	0	0	111.3	L124 G125 R130 D131 L134	L124-D128 HydrophobicContact CB-CB 3.98Å; L124-D128 HydrophobicContact CD1-CB 4.22Å; L124-D128 HydrophobicContact CD2-CB 3.78Å; L124-D128 HydrophobicContact CG-CB 4.2Å; G125-D128 PolarHBondContact N-OD2 2.69Å; G125-D128 WeakPolarHBondContact O-CB 3.32Å; G125-D128 PolarHBondContact O-N 2.98Å; D128-R130 PolarHBondContact O-N 2.8Å; D128-D131 WeakPolarHBondContact O-CB 3.35Å; D128-D131 PolarHBondContact O-N 3.5Å; D128-L134 HydrophobicContact CB-CD1 3.78Å; D128-L134 WeakPolarHBondContact O-CD1 3.34Å
129	V	92.5	Very high	94.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-69.4	0	176.4	-59.8	0	0	0	0	113.6	G125 P126 I135 I138 C221 I224 F257	G125-V129 PolarHBondContact O-N 2.95Å; P126-V129 WeakPolarHBondContact O-CG2 3.41Å; V129-I135 WeakPolarHBondContact O-CG2 3.48Å; V129-I138 HydrophobicContact CG1-CD1 4.12Å; V129-C221 HydrophobicContact CG1-CB 4.32Å; V129-C221 VanDerWaalsContact CG1-SG 3.59Å; V129-I224 HydrophobicContact CG1-CD1 4.29Å; V129-F257 HydrophobicContact CB-CD1 4.41Å; V129-F257 HydrophobicContact CB-CE1 4.05Å; V129-F257 HydrophobicContact CB-CE2 4.37Å; V129-F257 HydrophobicContact CB-CZ 4.02Å; V129-F257 HydrophobicContact CG2-CD1 3.96Å; V129-F257 HydrophobicContact CG2-CD2 4.06Å; V129-F257 HydrophobicContact CG2-CE1 4.09Å; V129-F257 HydrophobicContact CG2-CE2 4.19Å; V129-F257 HydrophobicContact CG2-CG 3.94Å; V129-F257 HydrophobicContact CG2-CZ 4.2Å; V129-F257 WeakPolarHBondContact O-CE2 3.35Å; V129-F257 WeakPolarHBondContact O-CZ 3.39Å
130	R	91.6	Very high	94.8	Very high	104 Å²	104	52.4 Å²	52.4	39%	0.392	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-104.3	-5.6	172.5	-62.7	178.7	-69.1	149.4	-2.4	112.7	P126 Q127 D128 F257	P126-R130 PolarHBondContact O-NE 2.88Å; Q127-R130 PolarHBondContact O-N 2.93Å; D128-R130 PolarHBondContact O-N 2.8Å; R130-F257 HydrophobicContact CG-CD2 4.01Å; R130-F257 HydrophobicContact CG-CE2 4.22Å
131	D	95.1	Very high	95.1	Very high	62 Å²	62	49.2 Å²	49.2	33%	0.332	26%	0.257	S	S	.	.	S	Bend	trans	-71.4	126.5	176	175.2	-96.8	0	0	0	110.9	D128 T133 L134 I135	D128-D131 WeakPolarHBondContact O-CB 3.35Å; D128-D131 PolarHBondContact O-N 3.5Å; D131-T133 PolarHBondContact O-N 3.28Å; D131-T133 VanDerWaalsContact O-N 3.09Å; D131-T133 VanDerWaalsContact OD1-CA 3.29Å; D131-T133 WeakPolarHBondContact OD1-CA 3.25Å; D131-T133 WeakPolarHBondContact OD1-CB 3.33Å; D131-T133 PolarHBondContact OD1-N 3.5Å; D131-L134 HydrophobicContact CB-CB 4.13Å; D131-L134 HydrophobicContact CB-CD1 4.08Å; D131-L134 HydrophobicContact CB-CG 4.12Å; D131-L134 PolarHBondContact O-N 3.14Å; D131-L134 PolarHBondContact OD1-N 2.79Å; D131-I135 WeakPolarHBondContact O-CG1 3.42Å; D131-I135 WeakPolarHBondContact O-CG2 3.43Å; D131-I135 PolarHBondContact O-N 2.94Å
132	P	93.3	Very high	95.3	Very high	75 Å²	75	47.9 Å²	47.9	49%	0.487	24%	0.242	S	C	.	.	H	α-helix	trans	-58.5	-23.7	-178	-27.2	35.6	0	0	0	115.4	I135 R136	P132-I135 WeakPolarHBondContact O-CG1 3.36Å; P132-R136 WeakPolarHBondContact O-CG 3.47Å
133	T	94.6	Very high	95.5	Very high	90 Å²	90	42.4 Å²	42.4	55%	0.552	21%	0.213	S	C	*	.	H	α-helix	trans	-82.2	-49.7	177.7	-49.3	0	0	0	0	109.9	D131 I135 R136 L137	D131-T133 PolarHBondContact O-N 3.28Å; D131-T133 VanDerWaalsContact O-N 3.09Å; D131-T133 VanDerWaalsContact OD1-CA 3.29Å; D131-T133 WeakPolarHBondContact OD1-CA 3.25Å; D131-T133 WeakPolarHBondContact OD1-CB 3.33Å; D131-T133 PolarHBondContact OD1-N 3.5Å; T133-I135 PolarHBondContact O-N 3.31Å; T133-R136 PolarHBondContact O-N 3.35Å; T133-L137 PolarHBondContact O-N 3.2Å
134	L	96.9	Very high	95.7	Very high	14 Å²	14	43.7 Å²	43.7	7%	0.073	21%	0.209	C	C	.	.	H	α-helix	trans	-63	-40.1	-178.5	-66.2	179.4	0	0	0	112.1	L124 D128 D131 R136 L137 I138 H226	L124-L134 HydrophobicContact CD1-CD1 4.29Å; L124-L134 HydrophobicContact CD2-CD1 4.18Å; D128-L134 HydrophobicContact CB-CD1 3.78Å; D128-L134 WeakPolarHBondContact O-CD1 3.34Å; D131-L134 HydrophobicContact CB-CB 4.13Å; D131-L134 HydrophobicContact CB-CD1 4.08Å; D131-L134 HydrophobicContact CB-CG 4.12Å; D131-L134 PolarHBondContact O-N 3.14Å; D131-L134 PolarHBondContact OD1-N 2.79Å; L134-R136 PolarHBondContact O-N 3.18Å; L134-L137 HydrophobicContact CD2-CD1 4.29Å; L134-L137 WeakPolarHBondContact O-CB 3.24Å; L134-L137 PolarHBondContact O-N 3.21Å; L134-I138 VanDerWaalsContact O-CG1 3.26Å; L134-I138 WeakPolarHBondContact O-CG1 3.43Å; L134-I138 PolarHBondContact O-N 3.45Å; L134-H226 HydrophobicContact CD2-CB 4.46Å
135	I	95.9	Very high	95.8	Very high	12 Å²	12	43.6 Å²	43.6	6%	0.062	21%	0.209	C	C	.	.	H	α-helix	trans	-58.5	-35	178.1	63.2	175.4	0	0	0	112.8	V129 D131 P132 T133 I138 A139 M273 W277	V129-I135 WeakPolarHBondContact O-CG2 3.48Å; D131-I135 WeakPolarHBondContact O-CG1 3.42Å; D131-I135 WeakPolarHBondContact O-CG2 3.43Å; D131-I135 PolarHBondContact O-N 2.94Å; P132-I135 WeakPolarHBondContact O-CG1 3.36Å; T133-I135 PolarHBondContact O-N 3.31Å; I135-I138 PolarHBondContact O-N 3.02Å; I135-A139 WeakPolarHBondContact O-CB 3.42Å; I135-A139 PolarHBondContact O-N 3.48Å; I135-M273 HydrophobicContact CD1-CG 4.32Å; I135-W277 PolarHBondContact O-NE1 3.4Å
136	R	97.3	Very high	96	Very high	130 Å²	130	43.6 Å²	43.6	49%	0.491	21%	0.208	S	C	.	.	H	α-helix	trans	-71	-40.8	177.5	-61.8	-177.8	-176.3	161.4	1.2	110.9	P132 T133 L134 I138 A139 R140 E280	P132-R136 WeakPolarHBondContact O-CG 3.47Å; T133-R136 PolarHBondContact O-N 3.35Å; L134-R136 PolarHBondContact O-N 3.18Å; R136-I138 VanDerWaalsContact C-N 3.33Å; R136-A139 PolarHBondContact O-N 2.98Å; R136-R140 WeakPolarHBondContact O-CB 3.44Å; R136-R140 WeakPolarHBondContact O-CG 3.45Å; R136-R140 PolarHBondContact O-N 3.12Å; R136-E280 HydrophobicContact CG-CG 4.02Å; R136-E280 IonicContact NE-OE1 3.88Å
137	L	98.3	Very high	96.3	Very high	43 Å²	43	42.2 Å²	42.2	23%	0.225	20%	0.201	C	C	.	.	H	α-helix	trans	-62.3	-43.2	175.3	-63	179.9	0	0	0	110.9	T133 L134 R140 E141 V233	T133-L137 PolarHBondContact O-N 3.2Å; L134-L137 HydrophobicContact CD2-CD1 4.29Å; L134-L137 WeakPolarHBondContact O-CB 3.24Å; L134-L137 PolarHBondContact O-N 3.21Å; L137-R140 PolarHBondContact O-N 3.46Å; L137-E141 PolarHBondContact O-N 3.26Å; L137-V233 VanDerWaalsContact C-CG2 3.46Å; L137-V233 HydrophobicContact CB-CB 4.43Å; L137-V233 HydrophobicContact CB-CG1 3.84Å; L137-V233 HydrophobicContact CB-CG2 3.82Å; L137-V233 HydrophobicContact CD1-CG1 4.19Å; L137-V233 WeakPolarHBondContact O-CG2 3.47Å
138	I	98.5	Very high	96.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.8	-47.2	177.7	-63.3	162.1	0	0	0	110.8	L124 V129 L134 I135 R136 R140 E141 M142 L219 I224 V233 F235 H253 W277	L124-I138 HydrophobicContact CD1-CD1 4.05Å; V129-I138 HydrophobicContact CG1-CD1 4.12Å; L134-I138 VanDerWaalsContact O-CG1 3.26Å; L134-I138 WeakPolarHBondContact O-CG1 3.43Å; L134-I138 PolarHBondContact O-N 3.45Å; I135-I138 PolarHBondContact O-N 3.02Å; R136-I138 VanDerWaalsContact C-N 3.33Å; I138-R140 VanDerWaalsContact C-N 3.3Å; I138-R140 PolarHBondContact O-N 2.99Å; I138-E141 PolarHBondContact O-N 2.78Å; I138-M142 PolarHBondContact O-N 3.27Å; I138-L219 HydrophobicContact CG2-CD2 4.25Å; I138-I224 HydrophobicContact CD1-CD1 3.94Å; I138-I224 HydrophobicContact CD1-CG2 4.44Å; I138-I224 HydrophobicContact CG1-CD1 4.17Å; I138-I224 HydrophobicContact CG1-CG2 4.05Å; I138-I224 HydrophobicContact CG2-CD1 4.17Å; I138-V233 HydrophobicContact CG1-CG2 4.29Å; I138-F235 HydrophobicContact CG2-CE1 4.18Å; I138-F235 HydrophobicContact CG2-CZ 4.04Å; I138-H253 WeakPolarHBondContact CG2-NE2 3.47Å; I138-W277 HydrophobicContact CG2-CZ2 4.48Å
139	A	98.6	Very high	95.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-56.7	-44.3	176.5	0	0	0	0	0	112.1	I135 R136 A143 W277 E280 Y281	I135-A139 WeakPolarHBondContact O-CB 3.42Å; I135-A139 PolarHBondContact O-N 3.48Å; R136-A139 PolarHBondContact O-N 2.98Å; A139-A143 WeakPolarHBondContact O-CB 3.42Å; A139-A143 PolarHBondContact O-N 3.4Å; A139-W277 VanDerWaalsContact CA-CZ2 3.49Å; A139-W277 HydrophobicContact CB-CD2 3.81Å; A139-W277 HydrophobicContact CB-CE3 4.31Å; A139-W277 HydrophobicContact CB-CG 4.2Å; A139-W277 HydrophobicContact CB-CH2 4.31Å; A139-W277 HydrophobicContact CB-CZ2 3.89Å; A139-E280 HydrophobicContact CB-CB 4.2Å; A139-Y281 WeakPolarHBondContact O-CD2 3.4Å
140	R	98.6	Very high	95.1	Very high	100 Å²	100	41.9 Å²	41.9	38%	0.377	20%	0.201	S	C	.	.	H	α-helix	trans	-66	-42.2	178	-69.8	175	70.7	78.1	4.8	112.5	R136 L137 I138 A143 R144 A284 F288	R136-R140 WeakPolarHBondContact O-CB 3.44Å; R136-R140 WeakPolarHBondContact O-CG 3.45Å; R136-R140 PolarHBondContact O-N 3.12Å; L137-R140 PolarHBondContact O-N 3.46Å; I138-R140 VanDerWaalsContact C-N 3.3Å; I138-R140 PolarHBondContact O-N 2.99Å; R140-A143 PolarHBondContact O-N 3.15Å; R140-R144 PolarHBondContact O-N 3.37Å; R140-A284 HydrophobicContact CB-CB 4.23Å; R140-A284 HydrophobicContact CG-CB 3.87Å; R140-F288 WeakPolarHBondContact O-CE2 3.23Å
141	E	98.5	Very high	94	Very high	13 Å²	13	41.6 Å²	41.6	6%	0.061	20%	0.204	C	C	.	.	H	α-helix	trans	-69	-39.2	179.6	-170.6	65.5	-174.9	0	0	111.7	L137 I138 R144 I145 V233 R234 F235	L137-E141 PolarHBondContact O-N 3.26Å; I138-E141 PolarHBondContact O-N 2.78Å; E141-R144 WeakPolarHBondContact O-CB 3.43Å; E141-R144 PolarHBondContact O-N 2.86Å; E141-I145 PolarHBondContact O-N 3.14Å; E141-I145 VanDerWaalsContact O-N 3.13Å; E141-V233 HydrophobicContact CB-CG2 3.84Å; E141-V233 HydrophobicContact CG-CG2 4.38Å; E141-R234 WeakPolarHBondContact OE1-CD 3.41Å; E141-R234 IonicContact OE1-CZ 2.72Å; E141-R234 IonicContact OE1-NH1 2.84Å; E141-R234 PolarHBondContact OE1-NH1 2.6Å; E141-R234 IonicContact OE2-CZ 3.97Å; E141-R234 IonicContact OE2-NH1 3.71Å; E141-R234 PolarHBondContact OE2-NH1 3.14Å; E141-F235 HydrophobicContact CB-CE1 4Å; E141-F235 HydrophobicContact CB-CE2 4.28Å; E141-F235 HydrophobicContact CB-CZ 3.75Å; E141-F235 HydrophobicContact CG-CD1 4.17Å; E141-F235 HydrophobicContact CG-CD2 4.31Å; E141-F235 HydrophobicContact CG-CE1 3.95Å; E141-F235 HydrophobicContact CG-CE2 4.1Å; E141-F235 HydrophobicContact CG-CG 4.33Å; E141-F235 HydrophobicContact CG-CZ 3.9Å
142	M	98.7	Very high	92.7	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-63.2	-43.5	172.7	-171.3	-178	-71.8	0	0	111.4	I138 R144 I145 H146 L219 F235 I250 H253 W277 Y281	I138-M142 PolarHBondContact O-N 3.27Å; M142-R144 VanDerWaalsContact C-N 3.25Å; M142-R144 PolarHBondContact O-N 3.39Å; M142-I145 PolarHBondContact O-N 3.22Å; M142-H146 VanDerWaalsContact CG-CE1 3.47Å; M142-H146 WeakPolarHBondContact CG-CE1 3.49Å; M142-H146 WeakPolarHBondContact O-CB 3.46Å; M142-H146 VanDerWaalsContact O-CG 3.31Å; M142-H146 PolarHBondContact O-N 3.25Å; M142-L219 HydrophobicContact CE-CB 4.47Å; M142-L219 HydrophobicContact CE-CD2 3.28Å; M142-L219 HydrophobicContact CE-CG 4.49Å; M142-F235 HydrophobicContact CB-CE2 3.9Å; M142-F235 HydrophobicContact CB-CZ 4.11Å; M142-I250 HydrophobicContact SD-CB 4.33Å; M142-I250 HydrophobicContact SD-CG1 3.51Å; M142-I250 VanDerWaalsContact SD-CG1 3.51Å; M142-H253 HydrophobicContact CE-CB 3.88Å; M142-W277 HydrophobicContact CB-CH2 4.4Å; M142-W277 HydrophobicContact CE-CH2 4.31Å; M142-W277 HydrophobicContact CE-CZ2 4.33Å; M142-W277 HydrophobicContact SD-CH2 3.62Å; M142-W277 HydrophobicContact SD-CZ2 4.19Å; M142-Y281 HydrophobicContact CB-CD2 4.46Å; M142-Y281 HydrophobicContact CB-CE2 4.42Å; M142-Y281 HydrophobicContact CG-CE2 4.2Å
143	A	98.6	Very high	91.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.6	-37	174.8	0	0	0	0	0	112.4	A139 R140 H146 A147 Y281 A284 F288	A139-A143 WeakPolarHBondContact O-CB 3.42Å; A139-A143 PolarHBondContact O-N 3.4Å; R140-A143 PolarHBondContact O-N 3.15Å; A143-H146 PolarHBondContact O-N 2.93Å; A143-A147 WeakPolarHBondContact O-CB 3.38Å; A143-A147 PolarHBondContact O-N 3.21Å; A143-Y281 VanDerWaalsContact CA-CE2 3.46Å; A143-Y281 HydrophobicContact CB-CD2 3.72Å; A143-Y281 HydrophobicContact CB-CE2 3.75Å; A143-Y281 HydrophobicContact CB-CG 4.44Å; A143-A284 HydrophobicContact CB-CB 3.68Å; A143-F288 HydrophobicContact CB-CD2 4.32Å; A143-F288 HydrophobicContact CB-CE2 4.48Å
144	R	97.9	Very high	90.4	Very high	66 Å²	66	40.1 Å²	40.1	25%	0.249	21%	0.209	C	C	.	.	H	α-helix	trans	-61.7	-46.1	175.9	-170.8	-175.6	173.4	176.4	-3.3	111.7	N100 G101 R140 E141 M142 A147 F288	N100-R144 PolarHBondContact O-NH2 2.71Å; G101-R144 PolarHBondContact O-NH1 2.89Å; G101-R144 PolarHBondContact O-NH2 3.25Å; R140-R144 PolarHBondContact O-N 3.37Å; E141-R144 WeakPolarHBondContact O-CB 3.43Å; E141-R144 PolarHBondContact O-N 2.86Å; M142-R144 VanDerWaalsContact C-N 3.25Å; M142-R144 PolarHBondContact O-N 3.39Å; R144-A147 PolarHBondContact O-N 3.18Å; R144-F288 HydrophobicContact CB-CD2 4.01Å; R144-F288 HydrophobicContact CB-CE1 4.29Å; R144-F288 HydrophobicContact CB-CE2 3.58Å; R144-F288 HydrophobicContact CB-CZ 3.73Å; R144-F288 HydrophobicContact CG-CD1 4.34Å; R144-F288 HydrophobicContact CG-CE1 3.98Å; R144-F288 HydrophobicContact CG-CE2 4.18Å; R144-F288 HydrophobicContact CG-CZ 3.9Å
145	I	97.8	Very high	89.6	Confident	4 Å²	4	46.5 Å²	46.5	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-66.1	-46.2	177.3	-67.8	175	0	0	0	110.8	L97 C102 E141 M142 A147 I148 L214 F235	L97-I145 HydrophobicContact CD2-CB 4.46Å; L97-I145 HydrophobicContact CD2-CD1 4.24Å; L97-I145 HydrophobicContact CD2-CG1 4.02Å; L97-I145 HydrophobicContact CD2-CG2 3.78Å; C102-I145 HydrophobicContact CB-CD1 4.49Å; C102-I145 HydrophobicContact CB-CG1 3.92Å; E141-I145 PolarHBondContact O-N 3.14Å; E141-I145 VanDerWaalsContact O-N 3.13Å; M142-I145 PolarHBondContact O-N 3.22Å; I145-A147 PolarHBondContact O-N 3.01Å; I145-I148 WeakPolarHBondContact O-CB 3.49Å; I145-I148 WeakPolarHBondContact O-CG1 3.48Å; I145-I148 PolarHBondContact O-N 2.95Å; I145-L214 HydrophobicContact CG2-CG 4.4Å; I145-F235 HydrophobicContact CD1-CB 4.48Å; I145-F235 HydrophobicContact CD1-CD2 3.47Å; I145-F235 VanDerWaalsContact CD1-CD2 3.47Å; I145-F235 HydrophobicContact CD1-CE2 4.07Å; I145-F235 HydrophobicContact CD1-CG 4.35Å
146	H	97.8	Very high	89.1	Confident	3 Å²	3	47.3 Å²	47.3	1%	0.014	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-24.3	-179.2	-71.6	-175.1	0	0	0	113.1	M142 A143 I148 V213 L214 D249 Y281 Y285	M142-H146 VanDerWaalsContact CG-CE1 3.47Å; M142-H146 WeakPolarHBondContact CG-CE1 3.49Å; M142-H146 WeakPolarHBondContact O-CB 3.46Å; M142-H146 VanDerWaalsContact O-CG 3.31Å; M142-H146 PolarHBondContact O-N 3.25Å; A143-H146 PolarHBondContact O-N 2.93Å; H146-I148 VanDerWaalsContact C-N 3.27Å; H146-I148 PolarHBondContact O-N 3.36Å; H146-V213 HydrophobicContact CB-CB 4.15Å; H146-V213 HydrophobicContact CB-CG1 4.48Å; H146-V213 HydrophobicContact CB-CG2 3.9Å; H146-L214 PolarHBondContact CD2-O 3.25Å; H146-D249 IonicContact CE1-OD2 3.54Å; H146-D249 IonicContact NE2-OD2 3.04Å; H146-D249 PolarHBondContact NE2-OD2 3.44Å; H146-Y281 WeakPolarHBondContact CB-OH 3.47Å; H146-Y281 AromaticContact ND1-CE2 3.55Å; H146-Y281 AromaticContact ND1-CZ 3.53Å; H146-Y281 PolarHBondContact ND1-OH 3.02Å; H146-Y285 HydrophobicContact CB-CD2 4.14Å; H146-Y285 HydrophobicContact CB-CE2 3.98Å
147	A	96.3	Very high	88.8	Confident	12 Å²	12	45.9 Å²	45.9	10%	0.099	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-3.2	176.3	0	0	0	0	0	114.1	A143 R144 I145 H149 Y285 F288 T289	A143-A147 WeakPolarHBondContact O-CB 3.38Å; A143-A147 PolarHBondContact O-N 3.21Å; R144-A147 PolarHBondContact O-N 3.18Å; I145-A147 PolarHBondContact O-N 3.01Å; A147-H149 PolarHBondContact O-CE1 3.24Å; A147-H149 VanDerWaalsContact O-CE1 3.31Å; A147-H149 PolarHBondContact O-N 3.48Å; A147-H149 PolarHBondContact O-ND1 3.48Å; A147-Y285 HydrophobicContact CB-CD2 4.32Å; A147-Y285 HydrophobicContact CB-CE2 4.25Å; A147-F288 HydrophobicContact CB-CB 3.53Å; A147-F288 HydrophobicContact CB-CG 4.49Å; A147-T289 HydrophobicContact CB-CG2 3.84Å
148	I	93.6	Very high	88.6	Confident	10 Å²	10	45 Å²	45	5%	0.051	24%	0.242	C	C	.	.			trans	-75.6	114.4	175.2	-59.1	169.4	0	0	0	109	V96 L97 N100 I145 H146 L214	V96-I148 HydrophobicContact CG1-CG2 3.75Å; L97-I148 HydrophobicContact CD2-CD1 4Å; N100-I148 HydrophobicContact CB-CD1 3.62Å; N100-I148 HydrophobicContact CB-CG1 3.95Å; I145-I148 WeakPolarHBondContact O-CB 3.49Å; I145-I148 WeakPolarHBondContact O-CG1 3.48Å; I145-I148 PolarHBondContact O-N 2.95Å; H146-I148 VanDerWaalsContact C-N 3.27Å; H146-I148 PolarHBondContact O-N 3.36Å; I148-L214 HydrophobicContact CB-CD2 4.19Å; I148-L214 HydrophobicContact CD1-CD2 4.23Å; I148-L214 HydrophobicContact CG2-CD2 4.17Å
149	H	84.4	Confident	88.4	Confident	119 Å²	119	46 Å²	46	55%	0.551	25%	0.247	S	C	*	.			trans	-91	151.8	-178.3	-65.5	80.3	0	0	0	112.1	A147 H151	A147-H149 PolarHBondContact O-CE1 3.24Å; A147-H149 VanDerWaalsContact O-CE1 3.31Å; A147-H149 PolarHBondContact O-N 3.48Å; A147-H149 PolarHBondContact O-ND1 3.48Å; H149-H151 PolarHBondContact O-N 3.1Å
150	A	75.8	Confident	88.3	Confident	21 Å²	21	46.1 Å²	46.1	17%	0.174	25%	0.248	C	C	.	.			trans	-60.7	119.8	171.4	0	0	0	0	0	110.6	N152 G153 Y243	A150-N152 PolarHBondContact O-N 3.31Å; A150-G153 PolarHBondContact O-N 3.41Å; A150-Y243 VanDerWaalsContact CA-OH 3.23Å; A150-Y243 WeakPolarHBondContact CA-OH 3.48Å; A150-Y243 VanDerWaalsContact CB-OH 3.3Å; A150-Y243 WeakPolarHBondContact CB-OH 3.29Å; A150-Y243 PolarHBondContact N-OH 3.38Å
151	H	67.5	Low	88.2	Confident	98 Å²	98	42.4 Å²	42.4	45%	0.454	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-5.6	-174.1	-59.5	-65.3	0	0	0	115	H149	H149-H151 PolarHBondContact O-N 3.1Å
152	N	67	Low	88	Confident	67 Å²	67	45.6 Å²	45.6	36%	0.358	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	7.4	-173.6	65.5	-9.9	0	0	0	114.1	H6 A150 C154	H6-N152 PolarHBondContact CD2-ND2 3.23Å; H6-N152 VanDerWaalsContact CG-ND2 3.26Å; H6-N152 PolarHBondContact NE2-ND2 2.88Å; H6-N152 VanDerWaalsContact NE2-ND2 3.18Å; A150-N152 PolarHBondContact O-N 3.31Å; N152-C154 VanDerWaalsContact CG-SG 3.55Å; N152-C154 PolarHBondContact ND2-SG 3.05Å; N152-C154 PolarHBondContact O-N 3.4Å; N152-C154 VanDerWaalsContact OD1-CB 3.31Å; N152-C154 WeakPolarHBondContact OD1-CB 3.47Å; N152-C154 PolarHBondContact OD1-N 2.93Å; N152-C154 VanDerWaalsContact OD1-N 3.17Å
153	G	66.1	Low	87.8	Confident	72 Å²	72	46.4 Å²	46.4	74%	0.742	25%	0.254	S	S	*	.			trans	69.6	6.7	-178.4	0	0	0	0	0	114.4	A150	A150-G153 PolarHBondContact O-N 3.41Å
154	C	73.9	Confident	87.6	Confident	58 Å²	58	46.4 Å²	46.4	39%	0.392	25%	0.254	S	S	.	.			trans	-70.2	136.8	171.8	-69.8	0	0	0	0	110.1	N152 P156	N152-C154 VanDerWaalsContact CG-SG 3.55Å; N152-C154 PolarHBondContact ND2-SG 3.05Å; N152-C154 PolarHBondContact O-N 3.4Å; N152-C154 VanDerWaalsContact OD1-CB 3.31Å; N152-C154 WeakPolarHBondContact OD1-CB 3.47Å; N152-C154 PolarHBondContact OD1-N 2.93Å; N152-C154 VanDerWaalsContact OD1-N 3.17Å; C154-P156 VanDerWaalsContact O-CD 3.26Å; C154-P156 WeakPolarHBondContact O-CD 3.34Å
155	I	80.5	Confident	87.5	Confident	148 Å²	148	49.7 Å²	49.7	76%	0.759	27%	0.267	S	S	*	.			trans	-77.6	111.7	169.3	-58.6	174.2	0	0	0	106.9
156	P	85.5	Confident	87.3	Confident	28 Å²	28	54.3 Å²	54.3	18%	0.182	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-68.4	145.5	-176.7	28	-33.6	0	0	0	110.9	E2 C154 V212 Y243	E2-P156 WeakPolarHBondContact O-CA 3.48Å; C154-P156 VanDerWaalsContact O-CD 3.26Å; C154-P156 WeakPolarHBondContact O-CD 3.34Å; P156-V212 HydrophobicContact CB-CG1 4.09Å; P156-V212 HydrophobicContact CG-CB 4.49Å; P156-V212 HydrophobicContact CG-CG1 4.08Å; P156-Y243 HydrophobicContact CB-CD1 3.36Å; P156-Y243 HydrophobicContact CB-CD2 3.82Å; P156-Y243 HydrophobicContact CB-CE1 3.87Å; P156-Y243 HydrophobicContact CB-CE2 4.26Å; P156-Y243 HydrophobicContact CB-CG 3.35Å; P156-Y243 HydrophobicContact CG-CD1 3.69Å; P156-Y243 HydrophobicContact CG-CE1 3.96Å; P156-Y243 HydrophobicContact CG-CG 4.21Å
157	K	91	Very high	87.1	Confident	101 Å²	101	54.4 Å²	54.4	44%	0.439	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-103.7	146.8	171.3	-71.9	-173.7	-176.4	167.2	0	110.9	E2 T3	E2-K157 HydrophobicContact CB-CB 4.36Å; E2-K157 HydrophobicContact CB-CD 4.09Å; E2-K157 HydrophobicContact CB-CG 4.1Å; E2-K157 VanDerWaalsContact CD-CE 3.46Å; E2-K157 PolarHBondContact O-N 2.96Å; E2-K157 IonicContact OE1-NZ 2.93Å; E2-K157 PolarHBondContact OE1-NZ 2.62Å; E2-K157 VanDerWaalsContact OE1-NZ 3.1Å; E2-K157 VanDerWaalsContact OE2-CD 3.25Å; E2-K157 WeakPolarHBondContact OE2-CD 3.43Å; E2-K157 WeakPolarHBondContact OE2-CE 3.37Å; E2-K157 IonicContact OE2-NZ 2.62Å; E2-K157 PolarHBondContact OE2-NZ 3.12Å; T3-K157 HydrophobicContact CG2-CB 3.94Å
158	P	93.8	Very high	87	Confident	25 Å²	25	54.5 Å²	54.5	16%	0.162	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-74.5	134.3	-176.5	28.3	-29	0	0	0	110.9	V212 Y245	P158-V212 HydrophobicContact CB-CG1 4.36Å; P158-V212 HydrophobicContact CB-CG2 4.06Å; P158-V212 HydrophobicContact CG-CG2 4.07Å; P158-Y245 HydrophobicContact CB-CD1 4.45Å; P158-Y245 HydrophobicContact CB-CD2 3.73Å; P158-Y245 HydrophobicContact CB-CE1 4.19Å; P158-Y245 HydrophobicContact CB-CE2 3.42Å; P158-Y245 VanDerWaalsContact CB-CE2 3.42Å; P158-Y245 HydrophobicContact CB-CG 4.25Å; P158-Y245 HydrophobicContact CG-CD2 4.34Å; P158-Y245 HydrophobicContact CG-CE1 3.92Å; P158-Y245 HydrophobicContact CG-CE2 3.58Å; P158-Y245 VanDerWaalsContact CG-OH 3.29Å; P158-Y245 WeakPolarHBondContact CG-OH 3.24Å
159	N	93.8	Very high	86.9	Confident	20 Å²	20	58.1 Å²	58.1	11%	0.107	31%	0.313	C	S	.	.			trans	-85.6	-15.9	-177.9	-160.5	21.1	0	0	0	113.9	W161 I162 K163 S242 Y243	N159-W161 PolarHBondContact O-N 3.43Å; N159-I162 PolarHBondContact O-N 2.91Å; N159-I162 VanDerWaalsContact O-N 3.14Å; N159-K163 WeakPolarHBondContact ND2-CE 3.44Å; N159-K163 PolarHBondContact O-N 3.24Å; N159-S242 PolarHBondContact ND2-OG 3.46Å; N159-Y243 WeakPolarHBondContact CB-O 3.14Å; N159-Y243 PolarHBondContact N-O 2.94Å
160	L	96.5	Very high	87.2	Confident	3 Å²	3	55 Å²	55	2%	0.016	30%	0.3	C	S	.	.	H	α-helix	trans	-48.3	-55.3	-174	175.3	60.5	0	0	0	113.4	I162 K163 M164 N244 Y245 F248 F310 A313 F317	L160-I162 VanDerWaalsContact C-N 3.3Å; L160-I162 PolarHBondContact O-N 3.45Å; L160-K163 PolarHBondContact O-N 3.07Å; L160-M164 HydrophobicContact CD1-CE 3.85Å; L160-M164 HydrophobicContact CG-CE 4.46Å; L160-M164 WeakPolarHBondContact O-CB 3.44Å; L160-M164 PolarHBondContact O-N 3.41Å; L160-N244 WeakPolarHBondContact CB-OD1 3.17Å; L160-N244 PolarHBondContact N-OD1 2.84Å; L160-Y245 HydrophobicContact CB-CD2 4.4Å; L160-Y245 HydrophobicContact CD2-CD2 4.07Å; L160-Y245 HydrophobicContact CD2-CE2 4.44Å; L160-F248 HydrophobicContact CD1-CD2 3.76Å; L160-F248 HydrophobicContact CD1-CE1 4.39Å; L160-F248 HydrophobicContact CD1-CE2 3.39Å; L160-F248 HydrophobicContact CD1-CG 4.38Å; L160-F248 HydrophobicContact CD1-CZ 3.76Å; L160-F248 HydrophobicContact CD2-CB 4.39Å; L160-F248 HydrophobicContact CD2-CD2 3.62Å; L160-F248 HydrophobicContact CD2-CE2 4.14Å; L160-F248 HydrophobicContact CD2-CG 4.1Å; L160-F248 HydrophobicContact CG-CD2 4.32Å; L160-F248 HydrophobicContact CG-CE2 4.41Å; L160-F310 HydrophobicContact CD2-CD1 4.25Å; L160-F310 HydrophobicContact CD2-CE1 4.19Å; L160-A313 HydrophobicContact CD2-CB 4.08Å; L160-F317 HydrophobicContact CD1-CD2 3.9Å
161	W	96.6	Very high	87.8	Confident	22 Å²	22	55 Å²	55	8%	0.083	30%	0.298	C	S	.	.	H	α-helix	trans	-70.8	-28	-174	-54.7	129.7	0	0	0	113.4	N159 M164 R165 M201 K202 L205 S206 Y245 F310 A313	N159-W161 PolarHBondContact O-N 3.43Å; W161-M164 HydrophobicContact CE3-SD 4.11Å; W161-M164 HydrophobicContact CZ3-CE 4.34Å; W161-M164 HydrophobicContact CZ3-SD 3.9Å; W161-R165 WeakPolarHBondContact O-CB 3.49Å; W161-R165 PolarHBondContact O-N 2.85Å; W161-M201 HydrophobicContact CH2-CB 3.84Å; W161-M201 HydrophobicContact CZ3-CB 3.98Å; W161-K202 HydrophobicContact CB-CD 4.18Å; W161-K202 HydrophobicContact CB-CG 4.33Å; W161-K202 HydrophobicContact CD2-CB 3.87Å; W161-K202 HydrophobicContact CD2-CG 3.89Å; W161-K202 HydrophobicContact CE3-CB 3.93Å; W161-K202 HydrophobicContact CE3-CG 4.42Å; W161-K202 HydrophobicContact CG-CB 4.3Å; W161-K202 HydrophobicContact CG-CD 4.19Å; W161-K202 HydrophobicContact CG-CG 3.8Å; W161-K202 HydrophobicContact CZ3-CB 4.3Å; W161-L205 HydrophobicContact CH2-CB 4.31Å; W161-L205 HydrophobicContact CH2-CD1 4.01Å; W161-L205 HydrophobicContact CZ2-CB 3.98Å; W161-L205 HydrophobicContact CZ2-CD1 4.44Å; W161-S206 PolarHBondContact NE1-OG 3.3Å; W161-Y245 AromaticContact CD1-CE2 3.98Å; W161-Y245 HydrophobicContact CZ2-CE2 4.43Å; W161-Y245 AromaticContact NE1-CE2 3.41Å; W161-Y245 AromaticContact NE1-CZ 3.72Å; W161-Y245 PolarHBondContact NE1-OH 3.3Å; W161-F310 HydrophobicContact CZ2-CE1 4.28Å; W161-A313 HydrophobicContact CH2-CB 4.2Å
162	I	94.6	Very high	88.2	Confident	80 Å²	80	51 Å²	51	41%	0.41	28%	0.281	S	S	.	.	H	α-helix	trans	-70.5	-52.8	176.1	-62.8	169.7	0	0	0	108.6	T3 N159 L160 M164 R165 Q166	T3-I162 HydrophobicContact CG2-CD1 3.92Å; N159-I162 PolarHBondContact O-N 2.91Å; N159-I162 VanDerWaalsContact O-N 3.14Å; L160-I162 VanDerWaalsContact C-N 3.3Å; L160-I162 PolarHBondContact O-N 3.45Å; I162-M164 PolarHBondContact O-N 3.28Å; I162-R165 PolarHBondContact O-N 3.11Å; I162-Q166 WeakPolarHBondContact O-CG 3.42Å; I162-Q166 PolarHBondContact O-N 3.46Å
163	K	94.1	Very high	88.3	Confident	17 Å²	17	53.7 Å²	53.7	7%	0.074	30%	0.295	C	S	.	.	H	α-helix	trans	-60.5	-43.9	176.9	-78.7	-161.7	171.3	-163.8	0	112.3	N159 L160 R165 Q166 Y167 F317	N159-K163 WeakPolarHBondContact ND2-CE 3.44Å; N159-K163 PolarHBondContact O-N 3.24Å; L160-K163 PolarHBondContact O-N 3.07Å; K163-R165 VanDerWaalsContact C-N 3.32Å; K163-R165 PolarHBondContact O-N 3.33Å; K163-Q166 WeakPolarHBondContact O-CB 3.37Å; K163-Q166 PolarHBondContact O-N 2.84Å; K163-Q166 VanDerWaalsContact O-N 3.12Å; K163-Y167 WeakPolarHBondContact O-CD1 3.02Å; K163-Y167 PolarHBondContact O-N 3.18Å; K163-F317 HydrophobicContact CB-CE2 3.87Å; K163-F317 HydrophobicContact CD-CE2 4.4Å; K163-F317 HydrophobicContact CD-CZ 4.31Å
164	M	95.4	Very high	88.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.4	-40.1	-180	-168.9	174.4	-76.3	0	0	111.9	L160 W161 I162 Y167 F168 M198 M201 A313 F316 F317 F320	L160-M164 HydrophobicContact CD1-CE 3.85Å; L160-M164 HydrophobicContact CG-CE 4.46Å; L160-M164 WeakPolarHBondContact O-CB 3.44Å; L160-M164 PolarHBondContact O-N 3.41Å; W161-M164 HydrophobicContact CE3-SD 4.11Å; W161-M164 HydrophobicContact CZ3-CE 4.34Å; W161-M164 HydrophobicContact CZ3-SD 3.9Å; I162-M164 PolarHBondContact O-N 3.28Å; M164-Y167 PolarHBondContact O-N 3.48Å; M164-F168 WeakPolarHBondContact O-CB 3.31Å; M164-F168 PolarHBondContact O-N 3.31Å; M164-M198 HydrophobicContact CB-SD 4.48Å; M164-M198 HydrophobicContact CG-CG 4.07Å; M164-M198 HydrophobicContact CG-SD 3.9Å; M164-M198 HydrophobicContact SD-CG 3.88Å; M164-M198 HydrophobicContact SD-SD 4.5Å; M164-M201 HydrophobicContact SD-CE 4.03Å; M164-A313 HydrophobicContact CE-CB 4.32Å; M164-A313 VanDerWaalsContact CE-O 3.27Å; M164-A313 WeakPolarHBondContact CE-O 3.38Å; M164-F316 HydrophobicContact CE-CB 4.16Å; M164-F316 HydrophobicContact SD-CB 4.43Å; M164-F317 HydrophobicContact CE-CB 3.82Å; M164-F317 HydrophobicContact CE-CD2 4.28Å; M164-F320 HydrophobicContact CG-CD2 3.82Å; M164-F320 HydrophobicContact CG-CE2 3.72Å; M164-F320 HydrophobicContact SD-CE2 4.42Å
165	R	95.4	Very high	88.4	Confident	135 Å²	135	55.5 Å²	55.5	51%	0.509	28%	0.278	S	S	.	.	H	α-helix	trans	-66.2	-41.3	173.3	-179.2	179.4	-66.8	-125.7	-6.9	112.3	W161 I162 K163 F168 S169	W161-R165 WeakPolarHBondContact O-CB 3.49Å; W161-R165 PolarHBondContact O-N 2.85Å; I162-R165 PolarHBondContact O-N 3.11Å; K163-R165 VanDerWaalsContact C-N 3.32Å; K163-R165 PolarHBondContact O-N 3.33Å; R165-F168 PolarHBondContact O-N 2.72Å; R165-S169 PolarHBondContact O-N 3.48Å
166	Q	93.7	Very high	88	Confident	102 Å²	102	56 Å²	56	48%	0.477	29%	0.288	S	S	.	.	H	α-helix	trans	-60	-48	175.2	-72.9	171.1	-25.4	0	0	110.6	I162 K163 F168 S169 L170	I162-Q166 WeakPolarHBondContact O-CG 3.42Å; I162-Q166 PolarHBondContact O-N 3.46Å; K163-Q166 WeakPolarHBondContact O-CB 3.37Å; K163-Q166 PolarHBondContact O-N 2.84Å; K163-Q166 VanDerWaalsContact O-N 3.12Å; Q166-F168 PolarHBondContact O-N 3.19Å; Q166-S169 WeakPolarHBondContact O-CB 3.35Å; Q166-S169 PolarHBondContact O-N 3.22Å; Q166-S169 VanDerWaalsContact O-N 3.11Å; Q166-S169 PolarHBondContact O-OG 3.47Å; Q166-L170 WeakPolarHBondContact O-CG 3.22Å; Q166-L170 PolarHBondContact O-N 3.47Å
167	Y	94.3	Very high	87.6	Confident	4 Å²	4	58.6 Å²	58.6	2%	0.016	30%	0.3	C	S	.	.	H	α-helix	trans	-60	-47.6	177.2	-74.8	11	0	0	0	111.3	I84 K163 M164 S169 L170 V171 Y240 F317 F320 W321 I324	I84-Y167 HydrophobicContact CB-CE1 3.94Å; I84-Y167 HydrophobicContact CG2-CD1 4.32Å; I84-Y167 HydrophobicContact CG2-CE1 3.77Å; I84-Y167 PolarHBondContact O-OH 2.89Å; K163-Y167 WeakPolarHBondContact O-CD1 3.02Å; K163-Y167 PolarHBondContact O-N 3.18Å; M164-Y167 PolarHBondContact O-N 3.48Å; Y167-S169 PolarHBondContact O-N 3.13Å; Y167-S169 VanDerWaalsContact O-N 3.17Å; Y167-L170 WeakPolarHBondContact O-CA 3.47Å; Y167-L170 PolarHBondContact O-N 2.92Å; Y167-V171 WeakPolarHBondContact O-CG2 3.39Å; Y167-V171 PolarHBondContact O-N 3.04Å; Y167-Y240 WeakPolarHBondContact OH-CE1 3.36Å; Y167-F317 HydrophobicContact CD2-CE2 4.33Å; Y167-F317 HydrophobicContact CD2-CZ 4.34Å; Y167-F317 HydrophobicContact CE2-CD1 4.41Å; Y167-F317 AromaticContact CE2-CE1 3.79Å; Y167-F317 HydrophobicContact CE2-CE1 3.79Å; Y167-F317 AromaticContact CE2-CE2 3.94Å; Y167-F317 HydrophobicContact CE2-CE2 3.94Å; Y167-F317 AromaticContact CE2-CZ 3.53Å; Y167-F317 HydrophobicContact CE2-CZ 3.53Å; Y167-F317 AromaticContact CZ-CZ 3.92Å; Y167-F320 HydrophobicContact CD2-CB 4.36Å; Y167-W321 HydrophobicContact CD2-CB 4.29Å; Y167-W321 HydrophobicContact CE2-CB 4Å; Y167-I324 HydrophobicContact CD1-CD1 4.14Å; Y167-I324 HydrophobicContact CD2-CD1 4.4Å; Y167-I324 HydrophobicContact CG-CD1 3.86Å
168	F	93.8	Very high	86.9	Confident	15 Å²	15	61 Å²	61	7%	0.066	31%	0.313	C	S	.	.	H	α-helix	trans	-55.8	-34.8	176.2	-178.3	-111.2	0	0	0	113.2	M164 R165 Q166 L170 K191 L194 E195 M198 F320	M164-F168 WeakPolarHBondContact O-CB 3.31Å; M164-F168 PolarHBondContact O-N 3.31Å; R165-F168 PolarHBondContact O-N 2.72Å; Q166-F168 PolarHBondContact O-N 3.19Å; F168-L170 VanDerWaalsContact C-N 3.33Å; F168-K191 HydrophobicContact CE1-CG 4.43Å; F168-K191 HydrophobicContact CE2-CG 3.75Å; F168-K191 HydrophobicContact CZ-CD 4.16Å; F168-K191 HydrophobicContact CZ-CG 3.4Å; F168-K191 WeakPolarHBondContact CZ-O 3.22Å; F168-L194 HydrophobicContact CE2-CB 4Å; F168-E195 HydrophobicContact CE1-CB 3.96Å; F168-E195 HydrophobicContact CE1-CG 4.03Å; F168-E195 HydrophobicContact CE2-CB 4.44Å; F168-E195 HydrophobicContact CZ-CB 3.63Å; F168-E195 HydrophobicContact CZ-CG 4.23Å; F168-M198 HydrophobicContact CB-CE 4.35Å; F168-M198 HydrophobicContact CB-SD 4.16Å; F168-M198 HydrophobicContact CD1-CE 3.94Å; F168-M198 HydrophobicContact CE1-CE 4.49Å; F168-M198 HydrophobicContact CG-CE 4.16Å; F168-M198 HydrophobicContact CG-SD 4.49Å; F168-F320 HydrophobicContact CB-CE2 4.27Å; F168-F320 HydrophobicContact CB-CZ 4.29Å; F168-F320 HydrophobicContact CD2-CD1 4.37Å; F168-F320 AromaticContact CD2-CE1 3.61Å; F168-F320 HydrophobicContact CD2-CE1 3.61Å; F168-F320 HydrophobicContact CD2-CE2 4.44Å; F168-F320 AromaticContact CD2-CZ 3.65Å; F168-F320 HydrophobicContact CD2-CZ 3.65Å; F168-F320 HydrophobicContact CE2-CE1 4.33Å; F168-F320 HydrophobicContact CE2-CZ 4.43Å; F168-F320 HydrophobicContact CG-CZ 4.34Å
169	S	92.3	Very high	86.2	Confident	85 Å²	85	62.4 Å²	62.4	59%	0.594	33%	0.327	S	S	*	.	H	α-helix	trans	-71.9	-24.8	175.9	76.5	0	0	0	0	114.1	R165 Q166 Y167	R165-S169 PolarHBondContact O-N 3.48Å; Q166-S169 WeakPolarHBondContact O-CB 3.35Å; Q166-S169 PolarHBondContact O-N 3.22Å; Q166-S169 VanDerWaalsContact O-N 3.11Å; Q166-S169 PolarHBondContact O-OG 3.47Å; Y167-S169 PolarHBondContact O-N 3.13Å; Y167-S169 VanDerWaalsContact O-N 3.17Å
170	L	90.6	Very high	85.5	Confident	55 Å²	55	63 Å²	63	29%	0.288	33%	0.333	S	S	.	.	H	α-helix	trans	-89.5	-16	179	-66.3	173	0	0	0	113.1	L83 Q166 Y167 F168 A172 I324	L83-L170 WeakPolarHBondContact O-CD1 3.32Å; Q166-L170 WeakPolarHBondContact O-CG 3.22Å; Q166-L170 PolarHBondContact O-N 3.47Å; Y167-L170 WeakPolarHBondContact O-CA 3.47Å; Y167-L170 PolarHBondContact O-N 2.92Å; F168-L170 VanDerWaalsContact C-N 3.33Å; L170-A172 PolarHBondContact O-N 3.02Å; L170-A172 VanDerWaalsContact O-N 3.16Å; L170-I324 HydrophobicContact CB-CD1 3.87Å; L170-I324 HydrophobicContact CB-CG1 3.99Å; L170-I324 HydrophobicContact CD1-CD1 4.38Å
171	V	87.3	Confident	84.6	Confident	21 Å²	21	64.4 Å²	64.4	13%	0.127	34%	0.34	C	S	.	.			trans	-57	121.3	176.2	172.1	0	0	0	0	109.5	Y167 F320 L323 I324	Y167-V171 WeakPolarHBondContact O-CG2 3.39Å; Y167-V171 PolarHBondContact O-N 3.04Å; V171-F320 HydrophobicContact CG2-CB 4.36Å; V171-F320 HydrophobicContact CG2-CD1 3.91Å; V171-F320 HydrophobicContact CG2-CG 4.47Å; V171-L323 HydrophobicContact CG1-CB 4.14Å; V171-L323 HydrophobicContact CG1-CD1 3.74Å; V171-L323 HydrophobicContact CG2-CB 4.13Å; V171-L323 HydrophobicContact CG2-CD1 4.21Å; V171-I324 HydrophobicContact CG2-CG1 4.41Å
172	A	76.8	Confident	83.8	Confident	13 Å²	13	66.9 Å²	66.9	11%	0.107	35%	0.354	C	S	.	.			trans	-71.5	141.6	178.1	0	0	0	0	0	112.3	L170 F175 K327	L170-A172 PolarHBondContact O-N 3.02Å; L170-A172 VanDerWaalsContact O-N 3.16Å; A172-F175 HydrophobicContact CB-CD2 4.49Å; A172-F175 HydrophobicContact CB-CE2 3.83Å; A172-F175 HydrophobicContact CB-CZ 4.09Å; A172-K327 HydrophobicContact CB-CB 4.47Å; A172-K327 HydrophobicContact CB-CD 3.21Å; A172-K327 HydrophobicContact CB-CG 4.44Å
173	I	69	Low	83.2	Confident	124 Å²	124	66.8 Å²	66.8	64%	0.636	35%	0.349	S	S	*	.	S	Bend	trans	-90.8	-22.9	173.9	-54	168.9	0	0	0	110.3
174	E	67.6	Low	82.5	Confident	144 Å²	144	67.3 Å²	67.3	67%	0.673	35%	0.352	S	S	*	.			trans	-141.3	140.7	-179.5	-64.7	-179.9	176.6	0	0	111.3	N181 K327	E174-N181 WeakPolarHBondContact CA-OD1 3.4Å; E174-K327 PolarHBondContact O-NZ 3.13Å; E174-K327 VanDerWaalsContact O-NZ 3.13Å
175	F	73.3	Confident	81.8	Confident	24 Å²	24	74.8 Å²	74.8	11%	0.105	39%	0.387	C	S	.	.			trans	-113.6	154.5	176.9	-68.8	-107.9	0	0	0	109	A172 D177 N181 I184 A326 K327	A172-F175 HydrophobicContact CB-CD2 4.49Å; A172-F175 HydrophobicContact CB-CE2 3.83Å; A172-F175 HydrophobicContact CB-CZ 4.09Å; F175-D177 VanDerWaalsContact C-N 3.25Å; F175-D177 PolarHBondContact O-N 2.88Å; F175-N181 WeakPolarHBondContact CB-OD1 3.43Å; F175-N181 PolarHBondContact N-OD1 2.91Å; F175-N181 PolarHBondContact O-ND2 2.87Å; F175-I184 HydrophobicContact CD2-CD1 3.22Å; F175-I184 HydrophobicContact CE1-CD1 4.25Å; F175-I184 HydrophobicContact CE2-CD1 2.96Å; F175-I184 HydrophobicContact CE2-CG1 4.43Å; F175-I184 HydrophobicContact CG-CD1 4.07Å; F175-I184 HydrophobicContact CZ-CD1 3.52Å; F175-A326 HydrophobicContact CE1-CB 3.83Å; F175-A326 HydrophobicContact CZ-CB 4.3Å; F175-K327 HydrophobicContact CD1-CB 4.22Å; F175-K327 HydrophobicContact CE1-CB 3.65Å; F175-K327 HydrophobicContact CZ-CB 4.15Å
176	T	72.5	Confident	81.3	Confident	158 Å²	158	75.5 Å²	75.5	97%	0.969	40%	0.396	S	S	*	.	S	Bend	trans	-67.2	-30.9	179.3	-51.5	0	0	0	0	111.9
177	D	77.8	Confident	81	Confident	83 Å²	83	74.1 Å²	74.1	44%	0.444	39%	0.39	S	S	.	.	S	Bend	trans	-87.3	128.1	178	170.8	56.6	0	0	0	111.9	F175 A179 S180 N181	F175-D177 VanDerWaalsContact C-N 3.25Å; F175-D177 PolarHBondContact O-N 2.88Å; D177-A179 PolarHBondContact O-N 2.82Å; D177-A179 WeakPolarHBondContact OD2-CB 3.35Å; D177-A179 PolarHBondContact OD2-N 3.08Å; D177-S180 PolarHBondContact O-N 3.39Å; D177-S180 WeakPolarHBondContact OD2-CB 3.43Å; D177-S180 PolarHBondContact OD2-N 2.93Å; D177-S180 PolarHBondContact OD2-OG 3.39Å; D177-N181 PolarHBondContact O-N 2.95Å; D177-N181 PolarHBondContact O-ND2 3.49Å
178	Q	76.7	Confident	80.8	Confident	150 Å²	150	74.7 Å²	74.7	70%	0.701	39%	0.394	S	S	*	.	H	α-helix	trans	-69.5	-32.8	-177.3	-171	176.1	-5.3	0	0	112.4	N181 I182	Q178-N181 PolarHBondContact O-N 3.16Å; Q178-I182 HydrophobicContact CG-CD1 4.32Å; Q178-I182 WeakPolarHBondContact O-CG1 3.33Å; Q178-I182 PolarHBondContact O-N 2.95Å; Q178-I182 VanDerWaalsContact O-N 3.09Å
179	A	79.2	Confident	80.6	Confident	56 Å²	56	75.3 Å²	75.3	46%	0.463	40%	0.399	S	S	.	.	H	α-helix	trans	-66.4	-40.8	177.7	0	0	0	0	0	111.4	D177 N181 I182 R183	D177-A179 PolarHBondContact O-N 2.82Å; D177-A179 WeakPolarHBondContact OD2-CB 3.35Å; D177-A179 PolarHBondContact OD2-N 3.08Å; A179-N181 PolarHBondContact O-N 3.05Å; A179-I182 PolarHBondContact O-N 2.73Å; A179-R183 PolarHBondContact O-N 2.78Å
180	S	77.9	Confident	80.5	Confident	33 Å²	33	74.4 Å²	74.4	23%	0.231	39%	0.393	C	S	.	.	H	α-helix	trans	-61.6	-41.6	174.4	-59.5	0	0	0	0	112	D177 I182 R183 I184	D177-S180 PolarHBondContact O-N 3.39Å; D177-S180 WeakPolarHBondContact OD2-CB 3.43Å; D177-S180 PolarHBondContact OD2-N 2.93Å; D177-S180 PolarHBondContact OD2-OG 3.39Å; S180-I182 PolarHBondContact O-N 3.48Å; S180-R183 PolarHBondContact O-N 3.37Å; S180-I184 WeakPolarHBondContact O-CG1 3.25Å; S180-I184 PolarHBondContact O-N 3.4Å
181	N	77.8	Confident	80.5	Confident	31 Å²	31	76.5 Å²	76.5	17%	0.166	40%	0.4	C	S	.	.	H	α-helix	trans	-61.6	-42.5	174.6	-72.8	-37.6	0	0	0	112.5	E174 F175 D177 Q178 A179 Q185	E174-N181 WeakPolarHBondContact CA-OD1 3.4Å; F175-N181 WeakPolarHBondContact CB-OD1 3.43Å; F175-N181 PolarHBondContact N-OD1 2.91Å; F175-N181 PolarHBondContact O-ND2 2.87Å; D177-N181 PolarHBondContact O-N 2.95Å; D177-N181 PolarHBondContact O-ND2 3.49Å; Q178-N181 PolarHBondContact O-N 3.16Å; A179-N181 PolarHBondContact O-N 3.05Å; N181-Q185 VanDerWaalsContact O-CG 3.29Å; N181-Q185 WeakPolarHBondContact O-CG 3.44Å; N181-Q185 PolarHBondContact O-N 2.76Å; N181-Q185 VanDerWaalsContact O-N 3.1Å
182	I	80.4	Confident	80.8	Confident	74 Å²	74	78.2 Å²	78.2	38%	0.379	42%	0.416	S	S	.	.	H	α-helix	trans	-64.3	-48.2	177.8	-67.9	165.4	0	0	0	110.4	Q178 A179 S180 I184 Q185 Q186	Q178-I182 HydrophobicContact CG-CD1 4.32Å; Q178-I182 WeakPolarHBondContact O-CG1 3.33Å; Q178-I182 PolarHBondContact O-N 2.95Å; Q178-I182 VanDerWaalsContact O-N 3.09Å; A179-I182 PolarHBondContact O-N 2.73Å; S180-I182 PolarHBondContact O-N 3.48Å; I182-I184 VanDerWaalsContact C-N 3.34Å; I182-I184 PolarHBondContact O-N 3.26Å; I182-Q185 PolarHBondContact O-N 3.17Å; I182-Q186 HydrophobicContact CG2-CG 4.44Å; I182-Q186 WeakPolarHBondContact O-CB 3.27Å; I182-Q186 WeakPolarHBondContact O-CG 3.43Å; I182-Q186 PolarHBondContact O-N 3.35Å; I182-Q186 VanDerWaalsContact O-N 3.07Å
183	R	81.5	Confident	81.7	Confident	79 Å²	79	80 Å²	80	30%	0.298	43%	0.425	S	S	.	.	H	α-helix	trans	-57.6	-45.5	178.1	-74.9	-177.9	70.3	-164.2	2.5	111.7	A179 S180 Q185 Q186 E187 D334 L336	A179-R183 PolarHBondContact O-N 2.78Å; S180-R183 PolarHBondContact O-N 3.37Å; R183-Q185 PolarHBondContact O-N 2.84Å; R183-Q186 PolarHBondContact O-N 3.05Å; R183-E187 IonicContact NE-OE1 2.89Å; R183-E187 PolarHBondContact NE-OE1 3.18Å; R183-E187 IonicContact NE-OE2 3.77Å; R183-E187 IonicContact NH2-OE2 3.42Å; R183-E187 VanDerWaalsContact O-CB 3.3Å; R183-E187 WeakPolarHBondContact O-CB 3.26Å; R183-E187 PolarHBondContact O-N 2.67Å; R183-D334 IonicContact CZ-OD2 3.54Å; R183-D334 IonicContact NH1-OD1 3.1Å; R183-D334 PolarHBondContact NH1-OD1 3.41Å; R183-D334 IonicContact NH1-OD2 3.46Å; R183-D334 IonicContact NH2-OD1 2.65Å; R183-D334 IonicContact NH2-OD2 2.76Å; R183-D334 PolarHBondContact NH2-OD2 2.78Å; R183-L336 HydrophobicContact CB-CD2 3.57Å
184	I	80.1	Confident	83	Confident	27 Å²	27	74.3 Å²	74.3	14%	0.138	40%	0.396	C	S	.	.	H	α-helix	trans	-60.7	-46.4	177.8	-72.8	165.8	0	0	0	111.5	F175 S180 I182 Q186 V188 L336	F175-I184 HydrophobicContact CD2-CD1 3.22Å; F175-I184 HydrophobicContact CE1-CD1 4.25Å; F175-I184 HydrophobicContact CE2-CD1 2.96Å; F175-I184 HydrophobicContact CE2-CG1 4.43Å; F175-I184 HydrophobicContact CG-CD1 4.07Å; F175-I184 HydrophobicContact CZ-CD1 3.52Å; S180-I184 WeakPolarHBondContact O-CG1 3.25Å; S180-I184 PolarHBondContact O-N 3.4Å; I182-I184 VanDerWaalsContact C-N 3.34Å; I182-I184 PolarHBondContact O-N 3.26Å; I184-Q186 PolarHBondContact O-N 3.1Å; I184-V188 HydrophobicContact CG1-CG2 4.39Å; I184-V188 HydrophobicContact CG2-CB 4.33Å; I184-V188 HydrophobicContact CG2-CG2 4.42Å; I184-V188 WeakPolarHBondContact O-CB 3.26Å; I184-V188 PolarHBondContact O-N 3.33Å; I184-V188 VanDerWaalsContact O-N 3.12Å; I184-L336 HydrophobicContact CD1-CD1 4.08Å; I184-L336 HydrophobicContact CD1-CD2 4.39Å; I184-L336 HydrophobicContact CG1-CD1 3.31Å; I184-L336 HydrophobicContact CG1-CD2 3.78Å; I184-L336 HydrophobicContact CG1-CG 4.21Å
185	Q	78.9	Confident	84.4	Confident	157 Å²	157	71.8 Å²	71.8	73%	0.734	38%	0.384	S	S	*	.	H	α-helix	trans	-64.3	-27	-179.3	-72.3	175.5	9.6	0	0	113	N181 I182 R183	N181-Q185 VanDerWaalsContact O-CG 3.29Å; N181-Q185 WeakPolarHBondContact O-CG 3.44Å; N181-Q185 PolarHBondContact O-N 2.76Å; N181-Q185 VanDerWaalsContact O-N 3.1Å; I182-Q185 PolarHBondContact O-N 3.17Å; R183-Q185 PolarHBondContact O-N 2.84Å
186	Q	85.1	Confident	85.5	Confident	150 Å²	150	76.9 Å²	76.9	70%	0.701	41%	0.408	S	S	*	.	H	α-helix	trans	-95.3	-40.3	-176.8	-69.8	179.3	-15.8	0	0	113.7	I182 R183 I184	I182-Q186 HydrophobicContact CG2-CG 4.44Å; I182-Q186 WeakPolarHBondContact O-CB 3.27Å; I182-Q186 WeakPolarHBondContact O-CG 3.43Å; I182-Q186 PolarHBondContact O-N 3.35Å; I182-Q186 VanDerWaalsContact O-N 3.07Å; R183-Q186 PolarHBondContact O-N 3.05Å; I184-Q186 PolarHBondContact O-N 3.1Å
187	E	88.5	Confident	86.7	Confident	74 Å²	74	70.9 Å²	70.9	35%	0.346	37%	0.369	S	S	.	.	H	α-helix	trans	-103.6	-26.1	-168.3	-59.4	175	-149.5	0	0	113	R183 V340	R183-E187 IonicContact NE-OE1 2.89Å; R183-E187 PolarHBondContact NE-OE1 3.18Å; R183-E187 IonicContact NE-OE2 3.77Å; R183-E187 IonicContact NH2-OE2 3.42Å; R183-E187 VanDerWaalsContact O-CB 3.3Å; R183-E187 WeakPolarHBondContact O-CB 3.26Å; R183-E187 PolarHBondContact O-N 2.67Å; E187-V340 HydrophobicContact CB-CG1 4.08Å; E187-V340 HydrophobicContact CB-CG2 3.61Å
188	V	88.8	Confident	87.7	Confident	16 Å²	16	67.4 Å²	67.4	10%	0.097	35%	0.35	C	S	.	.	S	Bend	trans	-94.6	133.7	-179.2	-176.5	0	0	0	0	109.4	I184 L194 L323 L336 V340 F343	I184-V188 HydrophobicContact CG1-CG2 4.39Å; I184-V188 HydrophobicContact CG2-CB 4.33Å; I184-V188 HydrophobicContact CG2-CG2 4.42Å; I184-V188 WeakPolarHBondContact O-CB 3.26Å; I184-V188 PolarHBondContact O-N 3.33Å; I184-V188 VanDerWaalsContact O-N 3.12Å; V188-L194 HydrophobicContact CG1-CD1 4.21Å; V188-L323 HydrophobicContact CG1-CD1 4.11Å; V188-L323 HydrophobicContact CG1-CD2 4.44Å; V188-L323 HydrophobicContact CG2-CD2 4.13Å; V188-L336 HydrophobicContact CG2-CD1 3.82Å; V188-V340 HydrophobicContact CG2-CG2 3.73Å; V188-F343 HydrophobicContact CG1-CD2 4.26Å; V188-F343 HydrophobicContact CG1-CE2 4.19Å
189	P	90.9	Very high	88.7	Confident	27 Å²	27	64 Å²	64	18%	0.175	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-54.4	146.3	172.8	-21	28.6	0	0	0	111.7	V193 L194 F343 F347	P189-V193 HydrophobicContact CB-CB 4.33Å; P189-V193 HydrophobicContact CB-CG1 4.04Å; P189-L194 HydrophobicContact CB-CD2 3.87Å; P189-L194 HydrophobicContact CB-CG 4.09Å; P189-L194 HydrophobicContact CG-CD2 4.06Å; P189-L194 WeakPolarHBondContact O-CD1 3.15Å; P189-F343 HydrophobicContact CG-CB 4.19Å; P189-F347 HydrophobicContact CB-CE2 4.31Å; P189-F347 HydrophobicContact CG-CD2 4.47Å; P189-F347 HydrophobicContact CG-CE2 3.68Å; P189-F347 HydrophobicContact CG-CZ 4.47Å
190	S	90.8	Very high	89.6	Confident	67 Å²	67	64.8 Å²	64.8	47%	0.469	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-59.8	152.3	-178.4	77.2	0	0	0	0	111.6	A192 V193 L194	S190-A192 PolarHBondContact O-N 3.08Å; S190-A192 VanDerWaalsContact O-N 3.11Å; S190-V193 WeakPolarHBondContact O-CB 3.35Å; S190-V193 PolarHBondContact O-N 3.42Å; S190-V193 WeakPolarHBondContact OG-CG2 3.45Å; S190-V193 PolarHBondContact OG-N 3.37Å; S190-L194 PolarHBondContact O-N 3.41Å
191	K	90.5	Very high	90.5	Very high	99 Å²	99	63.2 Å²	63.2	43%	0.43	32%	0.317	S	S	.	.	H	α-helix	trans	-52.3	-37	177.7	-173.6	170.5	-178.1	169.9	0	112.6	F168 L194 E195	F168-K191 HydrophobicContact CE1-CG 4.43Å; F168-K191 HydrophobicContact CE2-CG 3.75Å; F168-K191 HydrophobicContact CZ-CD 4.16Å; F168-K191 HydrophobicContact CZ-CG 3.4Å; F168-K191 WeakPolarHBondContact CZ-O 3.22Å; K191-L194 PolarHBondContact O-N 2.89Å; K191-E195 WeakPolarHBondContact O-CB 3.18Å; K191-E195 PolarHBondContact O-N 2.98Å
192	A	93.7	Very high	91.4	Very high	57 Å²	57	66 Å²	66	47%	0.471	33%	0.327	S	S	.	.	H	α-helix	trans	-65.2	-42.9	176.5	0	0	0	0	0	112.4	S190 E195 Q196	S190-A192 PolarHBondContact O-N 3.08Å; S190-A192 VanDerWaalsContact O-N 3.11Å; A192-E195 PolarHBondContact O-N 3.3Å; A192-Q196 WeakPolarHBondContact O-CB 3.23Å; A192-Q196 VanDerWaalsContact O-CG 3.29Å; A192-Q196 WeakPolarHBondContact O-CG 3.16Å; A192-Q196 PolarHBondContact O-N 2.87Å
193	V	95.4	Very high	92.2	Very high	50 Å²	50	69.6 Å²	69.6	30%	0.303	34%	0.343	S	S	.	.	H	α-helix	trans	-64.7	-46	175.6	171.2	0	0	0	0	110.4	P189 S190 E195 Q196 E197 F347	P189-V193 HydrophobicContact CB-CB 4.33Å; P189-V193 HydrophobicContact CB-CG1 4.04Å; S190-V193 WeakPolarHBondContact O-CB 3.35Å; S190-V193 PolarHBondContact O-N 3.42Å; S190-V193 WeakPolarHBondContact OG-CG2 3.45Å; S190-V193 PolarHBondContact OG-N 3.37Å; V193-E195 VanDerWaalsContact C-N 3.31Å; V193-E195 PolarHBondContact O-N 3.48Å; V193-Q196 PolarHBondContact O-N 3.26Å; V193-E197 HydrophobicContact CG1-CG 4.29Å; V193-E197 WeakPolarHBondContact O-CB 3.16Å; V193-E197 VanDerWaalsContact O-CG 3.3Å; V193-E197 WeakPolarHBondContact O-CG 3.4Å; V193-E197 PolarHBondContact O-N 2.89Å; V193-F347 HydrophobicContact CG1-CZ 3.88Å
194	L	95.6	Very high	92.9	Very high	5 Å²	5	68.7 Å²	68.7	3%	0.026	34%	0.342	C	S	.	.	H	α-helix	trans	-60.9	-39.5	178.3	-65.2	176	0	0	0	112.2	F168 V188 P189 S190 K191 M198 F316 F320 F343	F168-L194 HydrophobicContact CE2-CB 4Å; V188-L194 HydrophobicContact CG1-CD1 4.21Å; P189-L194 HydrophobicContact CB-CD2 3.87Å; P189-L194 HydrophobicContact CB-CG 4.09Å; P189-L194 HydrophobicContact CG-CD2 4.06Å; P189-L194 WeakPolarHBondContact O-CD1 3.15Å; S190-L194 PolarHBondContact O-N 3.41Å; K191-L194 PolarHBondContact O-N 2.89Å; L194-M198 VanDerWaalsContact O-CB 3.3Å; L194-M198 WeakPolarHBondContact O-CB 3.46Å; L194-M198 PolarHBondContact O-N 2.81Å; L194-F316 HydrophobicContact CB-CE1 4.5Å; L194-F316 HydrophobicContact CD2-CE1 3.85Å; L194-F316 HydrophobicContact CD2-CZ 3.85Å; L194-F320 HydrophobicContact CB-CE1 4.07Å; L194-F320 HydrophobicContact CB-CZ 4.21Å; L194-F320 HydrophobicContact CD1-CE1 4.04Å; L194-F320 HydrophobicContact CD2-CE1 4.49Å; L194-F320 HydrophobicContact CG-CE1 4.42Å; L194-F343 HydrophobicContact CD1-CZ 4.32Å; L194-F343 HydrophobicContact CD2-CD1 3.76Å; L194-F343 HydrophobicContact CD2-CE1 3.58Å; L194-F343 HydrophobicContact CD2-CE2 4.42Å; L194-F343 HydrophobicContact CD2-CG 4.27Å; L194-F343 HydrophobicContact CD2-CZ 3.94Å
195	E	96.3	Very high	93.8	Very high	90 Å²	90	67.4 Å²	67.4	42%	0.421	34%	0.335	S	S	.	.	H	α-helix	trans	-65.6	-46.8	175.7	-171.4	164.8	-149.8	0	0	112.2	F168 K191 A192 V193 E197 M198 L199	F168-E195 HydrophobicContact CE1-CB 3.96Å; F168-E195 HydrophobicContact CE1-CG 4.03Å; F168-E195 HydrophobicContact CE2-CB 4.44Å; F168-E195 HydrophobicContact CZ-CB 3.63Å; F168-E195 HydrophobicContact CZ-CG 4.23Å; K191-E195 WeakPolarHBondContact O-CB 3.18Å; K191-E195 PolarHBondContact O-N 2.98Å; A192-E195 PolarHBondContact O-N 3.3Å; V193-E195 VanDerWaalsContact C-N 3.31Å; V193-E195 PolarHBondContact O-N 3.48Å; E195-E197 VanDerWaalsContact C-N 3.34Å; E195-E197 PolarHBondContact O-N 3.3Å; E195-M198 PolarHBondContact O-N 2.88Å; E195-L199 HydrophobicContact CG-CD1 4.2Å; E195-L199 VanDerWaalsContact O-CG 3.32Å; E195-L199 WeakPolarHBondContact O-CG 3.42Å; E195-L199 PolarHBondContact O-N 2.49Å
196	Q	97.8	Very high	94.6	Very high	131 Å²	131	62.2 Å²	62.2	61%	0.612	32%	0.316	S	S	*	.	H	α-helix	trans	-59	-46.2	177.6	-75.9	176.6	-5.4	0	0	111.4	A192 V193 L199 W200	A192-Q196 WeakPolarHBondContact O-CB 3.23Å; A192-Q196 VanDerWaalsContact O-CG 3.29Å; A192-Q196 WeakPolarHBondContact O-CG 3.16Å; A192-Q196 PolarHBondContact O-N 2.87Å; V193-Q196 PolarHBondContact O-N 3.26Å; Q196-L199 PolarHBondContact O-N 3.42Å; Q196-W200 WeakPolarHBondContact O-CB 3.27Å; Q196-W200 PolarHBondContact O-N 3.28Å
197	E	97.9	Very high	95.1	Very high	32 Å²	32	60.3 Å²	60.3	15%	0.15	32%	0.315	C	S	.	.	H	α-helix	trans	-66.7	-39.7	179.3	-71.1	-65.3	149	0	0	112.3	V193 E195 W200 M201 F316 Y346 F347 K350	V193-E197 HydrophobicContact CG1-CG 4.29Å; V193-E197 WeakPolarHBondContact O-CB 3.16Å; V193-E197 VanDerWaalsContact O-CG 3.3Å; V193-E197 WeakPolarHBondContact O-CG 3.4Å; V193-E197 PolarHBondContact O-N 2.89Å; E195-E197 VanDerWaalsContact C-N 3.34Å; E195-E197 PolarHBondContact O-N 3.3Å; E197-W200 PolarHBondContact O-N 3.41Å; E197-M201 WeakPolarHBondContact O-CB 3.31Å; E197-M201 WeakPolarHBondContact O-CG 3.42Å; E197-M201 PolarHBondContact O-N 3.04Å; E197-F316 HydrophobicContact CB-CE1 3.72Å; E197-F316 HydrophobicContact CB-CE2 4.5Å; E197-F316 HydrophobicContact CB-CZ 3.52Å; E197-F316 HydrophobicContact CG-CZ 4.24Å; E197-Y346 HydrophobicContact CB-CE1 4.41Å; E197-Y346 HydrophobicContact CG-CE1 4.31Å; E197-Y346 VanDerWaalsContact OE2-CE1 3.28Å; E197-Y346 WeakPolarHBondContact OE2-CE1 3.35Å; E197-Y346 VanDerWaalsContact OE2-CZ 3.26Å; E197-Y346 PolarHBondContact OE2-OH 3.33Å; E197-F347 HydrophobicContact CG-CE1 3.89Å; E197-F347 HydrophobicContact CG-CZ 3.89Å; E197-K350 IonicContact OE1-NZ 3.81Å; E197-K350 PolarHBondContact OE1-NZ 3.41Å; E197-K350 IonicContact OE2-NZ 3.92Å; E197-K350 PolarHBondContact OE2-NZ 3.44Å
198	M	97.3	Very high	95.5	Very high	10 Å²	10	57.7 Å²	57.7	5%	0.049	30%	0.303	C	S	.	.	H	α-helix	trans	-61.4	-45	173.4	178.6	-175.6	60.2	0	0	112.1	M164 F168 L194 E195 K202 F320	M164-M198 HydrophobicContact CB-SD 4.48Å; M164-M198 HydrophobicContact CG-CG 4.07Å; M164-M198 HydrophobicContact CG-SD 3.9Å; M164-M198 HydrophobicContact SD-CG 3.88Å; M164-M198 HydrophobicContact SD-SD 4.5Å; F168-M198 HydrophobicContact CB-CE 4.35Å; F168-M198 HydrophobicContact CB-SD 4.16Å; F168-M198 HydrophobicContact CD1-CE 3.94Å; F168-M198 HydrophobicContact CE1-CE 4.49Å; F168-M198 HydrophobicContact CG-CE 4.16Å; F168-M198 HydrophobicContact CG-SD 4.49Å; L194-M198 VanDerWaalsContact O-CB 3.3Å; L194-M198 WeakPolarHBondContact O-CB 3.46Å; L194-M198 PolarHBondContact O-N 2.81Å; E195-M198 PolarHBondContact O-N 2.88Å; M198-K202 PolarHBondContact O-N 2.87Å; M198-F320 HydrophobicContact SD-CE2 4.3Å
199	L	97.8	Very high	95.8	Very high	79 Å²	79	59.7 Å²	59.7	41%	0.414	33%	0.327	S	S	.	.	H	α-helix	trans	-65.4	-43.7	177.9	-70.5	173.6	0	0	0	111.3	E195 Q196 K202 E203	E195-L199 HydrophobicContact CG-CD1 4.2Å; E195-L199 VanDerWaalsContact O-CG 3.32Å; E195-L199 WeakPolarHBondContact O-CG 3.42Å; E195-L199 PolarHBondContact O-N 2.49Å; Q196-L199 PolarHBondContact O-N 3.42Å; L199-K202 PolarHBondContact O-N 3.34Å; L199-E203 PolarHBondContact O-N 3Å
200	W	97.6	Very high	96.1	Very high	73 Å²	73	58.8 Å²	58.8	28%	0.277	32%	0.322	S	S	.	.	H	α-helix	trans	-59.5	-47.2	176	173.5	85.3	0	0	0	111.7	Q196 E197 K202 E203 H204 Y346 K350 M354	Q196-W200 WeakPolarHBondContact O-CB 3.27Å; Q196-W200 PolarHBondContact O-N 3.28Å; E197-W200 PolarHBondContact O-N 3.41Å; W200-K202 VanDerWaalsContact C-N 3.32Å; W200-K202 PolarHBondContact O-N 2.98Å; W200-E203 PolarHBondContact O-N 3.47Å; W200-H204 HydrophobicContact CZ2-CB 4.3Å; W200-H204 AromaticContact CZ2-CD2 3.97Å; W200-H204 VanDerWaalsContact O-CB 3.31Å; W200-H204 WeakPolarHBondContact O-CB 3.38Å; W200-H204 PolarHBondContact O-N 3.39Å; W200-Y346 WeakPolarHBondContact CZ3-OH 3.17Å; W200-K350 HydrophobicContact CH2-CD 4.45Å; W200-K350 HydrophobicContact CH2-CG 4.43Å; W200-K350 HydrophobicContact CZ3-CD 4.33Å; W200-M354 HydrophobicContact CH2-CE 3.88Å; W200-M354 HydrophobicContact CH2-CG 3.81Å; W200-M354 HydrophobicContact CH2-SD 3.39Å; W200-M354 WeakPolarHBondContact CH2-SD 3.33Å; W200-M354 HydrophobicContact CZ2-CG 4.05Å; W200-M354 HydrophobicContact CZ2-SD 3.59Å; W200-M354 VanDerWaalsContact CZ2-SD 3.59Å
201	M	97.8	Very high	96.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.3	-43.5	176.3	-76.9	-169.8	-68.9	0	0	111.3	W161 M164 E197 E203 L205 L312 A313 F316 Y346	W161-M201 HydrophobicContact CH2-CB 3.84Å; W161-M201 HydrophobicContact CZ3-CB 3.98Å; M164-M201 HydrophobicContact SD-CE 4.03Å; E197-M201 WeakPolarHBondContact O-CB 3.31Å; E197-M201 WeakPolarHBondContact O-CG 3.42Å; E197-M201 PolarHBondContact O-N 3.04Å; M201-E203 PolarHBondContact O-N 3.45Å; M201-L205 HydrophobicContact CB-CD1 4.28Å; M201-L205 HydrophobicContact CB-CG 4.45Å; M201-L205 WeakPolarHBondContact O-CB 3.5Å; M201-L205 VanDerWaalsContact O-CG 3.23Å; M201-L205 WeakPolarHBondContact O-CG 3.31Å; M201-L205 PolarHBondContact O-N 3.24Å; M201-L312 HydrophobicContact SD-CB 4.47Å; M201-A313 HydrophobicContact SD-CB 4.1Å; M201-F316 HydrophobicContact CE-CB 3.57Å; M201-F316 HydrophobicContact CE-CD1 3.46Å; M201-F316 VanDerWaalsContact CE-CD1 3.46Å; M201-F316 HydrophobicContact CE-CD2 4.04Å; M201-F316 HydrophobicContact CE-CE1 4.14Å; M201-F316 HydrophobicContact CE-CG 3.39Å; M201-F316 HydrophobicContact SD-CB 4.4Å; M201-F316 HydrophobicContact SD-CG 4.38Å; M201-Y346 HydrophobicContact CE-CE2 4.4Å; M201-Y346 HydrophobicContact CG-CE2 4.09Å; M201-Y346 HydrophobicContact SD-CD2 4.37Å; M201-Y346 HydrophobicContact SD-CE2 3.53Å; M201-Y346 VanDerWaalsContact SD-CE2 3.53Å
202	K	97.6	Very high	96.7	Very high	89 Å²	89	55.7 Å²	55.7	39%	0.387	31%	0.309	S	S	.	.	H	α-helix	trans	-59.4	-48.6	177.9	178.9	-177.9	177.3	-171.6	0	111.2	W161 M198 L199 W200 S206	W161-K202 HydrophobicContact CB-CD 4.18Å; W161-K202 HydrophobicContact CB-CG 4.33Å; W161-K202 HydrophobicContact CD2-CB 3.87Å; W161-K202 HydrophobicContact CD2-CG 3.89Å; W161-K202 HydrophobicContact CE3-CB 3.93Å; W161-K202 HydrophobicContact CE3-CG 4.42Å; W161-K202 HydrophobicContact CG-CB 4.3Å; W161-K202 HydrophobicContact CG-CD 4.19Å; W161-K202 HydrophobicContact CG-CG 3.8Å; W161-K202 HydrophobicContact CZ3-CB 4.3Å; M198-K202 PolarHBondContact O-N 2.87Å; L199-K202 PolarHBondContact O-N 3.34Å; W200-K202 VanDerWaalsContact C-N 3.32Å; W200-K202 PolarHBondContact O-N 2.98Å; K202-S206 WeakPolarHBondContact O-CB 3.35Å; K202-S206 PolarHBondContact O-N 3.3Å; K202-S206 PolarHBondContact O-OG 3.1Å
203	E	97.3	Very high	96.8	Very high	150 Å²	150	53.3 Å²	53.3	70%	0.701	29%	0.289	S	S	*	.	H	α-helix	trans	-63.1	-51	-179.7	-176.2	174.7	-172.6	0	0	111.1	L199 W200 M201 T207	L199-E203 PolarHBondContact O-N 3Å; W200-E203 PolarHBondContact O-N 3.47Å; M201-E203 PolarHBondContact O-N 3.45Å; E203-T207 WeakPolarHBondContact O-CG2 3.45Å
204	H	96.4	Very high	96.8	Very high	59 Å²	59	51 Å²	51	27%	0.273	27%	0.274	S	S	.	.	H	α-helix	trans	-72.2	-53	-174.1	-170.8	68.1	0	0	0	112.6	W200 S206 T207 M354	W200-H204 HydrophobicContact CZ2-CB 4.3Å; W200-H204 AromaticContact CZ2-CD2 3.97Å; W200-H204 VanDerWaalsContact O-CB 3.31Å; W200-H204 WeakPolarHBondContact O-CB 3.38Å; W200-H204 PolarHBondContact O-N 3.39Å; H204-S206 VanDerWaalsContact C-N 3.32Å; H204-S206 PolarHBondContact O-N 2.92Å; H204-T207 PolarHBondContact O-N 3.15Å; H204-T207 VanDerWaalsContact O-N 3.17Å; H204-T207 PolarHBondContact O-OG1 3.28Å; H204-M354 VanDerWaalsContact CD2-SD 3.57Å; H204-M354 PolarHBondContact NE2-SD 2.78Å
205	L	97.4	Very high	96.9	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-69.4	-29.6	-172.8	-56.6	-170.6	0	0	0	112.7	W161 M201 T207 L208 K309 F310 A313	W161-L205 HydrophobicContact CH2-CB 4.31Å; W161-L205 HydrophobicContact CH2-CD1 4.01Å; W161-L205 HydrophobicContact CZ2-CB 3.98Å; W161-L205 HydrophobicContact CZ2-CD1 4.44Å; M201-L205 HydrophobicContact CB-CD1 4.28Å; M201-L205 HydrophobicContact CB-CG 4.45Å; M201-L205 WeakPolarHBondContact O-CB 3.5Å; M201-L205 VanDerWaalsContact O-CG 3.23Å; M201-L205 WeakPolarHBondContact O-CG 3.31Å; M201-L205 PolarHBondContact O-N 3.24Å; L205-T207 PolarHBondContact O-N 3.07Å; L205-L208 HydrophobicContact CB-CD1 4.4Å; L205-L208 HydrophobicContact CD2-CD1 3.74Å; L205-L208 WeakPolarHBondContact O-CB 3.44Å; L205-L208 PolarHBondContact O-N 3.14Å; L205-K309 WeakPolarHBondContact CD1-O 3.36Å; L205-K309 HydrophobicContact CD2-CB 3.71Å; L205-F310 HydrophobicContact CB-CD1 4.5Å; L205-F310 HydrophobicContact CB-CE1 3.98Å; L205-F310 HydrophobicContact CB-CE2 4.06Å; L205-F310 HydrophobicContact CB-CZ 3.76Å; L205-F310 HydrophobicContact CD1-CD1 4.09Å; L205-F310 HydrophobicContact CD1-CE1 4.33Å; L205-F310 HydrophobicContact CD1-CG 4.31Å; L205-F310 WeakPolarHBondContact O-CZ 3.42Å; L205-A313 HydrophobicContact CD1-CB 3.98Å
206	S	96.3	Very high	96.9	Very high	48 Å²	48	46.7 Å²	46.7	34%	0.336	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-67.8	-18.5	177.2	-54.7	0	0	0	0	113	W161 K202 H204 Y245	W161-S206 PolarHBondContact NE1-OG 3.3Å; K202-S206 WeakPolarHBondContact O-CB 3.35Å; K202-S206 PolarHBondContact O-N 3.3Å; K202-S206 PolarHBondContact O-OG 3.1Å; H204-S206 VanDerWaalsContact C-N 3.32Å; H204-S206 PolarHBondContact O-N 2.92Å; S206-Y245 PolarHBondContact OG-OH 3.28Å
207	T	95.9	Very high	96.9	Very high	109 Å²	109	40.7 Å²	40.7	67%	0.669	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-83.9	-11.9	176.9	67.8	0	0	0	0	113.5	E203 H204 L205 G209	E203-T207 WeakPolarHBondContact O-CG2 3.45Å; H204-T207 PolarHBondContact O-N 3.15Å; H204-T207 VanDerWaalsContact O-N 3.17Å; H204-T207 PolarHBondContact O-OG1 3.28Å; L205-T207 PolarHBondContact O-N 3.07Å; T207-G209 PolarHBondContact O-N 2.81Å
208	L	96.2	Very high	96.8	Very high	19 Å²	19	39.8 Å²	39.8	10%	0.099	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-72.2	-9	-175.4	-61	177	0	0	0	113.8	L205 S210 Q306 K309 F310 I358	L205-L208 HydrophobicContact CB-CD1 4.4Å; L205-L208 HydrophobicContact CD2-CD1 3.74Å; L205-L208 WeakPolarHBondContact O-CB 3.44Å; L205-L208 PolarHBondContact O-N 3.14Å; L208-S210 VanDerWaalsContact C-N 3.33Å; L208-S210 PolarHBondContact O-N 3.2Å; L208-Q306 HydrophobicContact CB-CG 4.2Å; L208-Q306 PolarHBondContact O-NE2 2.82Å; L208-K309 HydrophobicContact CD1-CB 3.72Å; L208-K309 HydrophobicContact CD1-CD 3.74Å; L208-K309 HydrophobicContact CD1-CG 4.3Å; L208-K309 HydrophobicContact CD2-CD 4.09Å; L208-F310 HydrophobicContact CD1-CD2 4.34Å; L208-F310 HydrophobicContact CD1-CE2 4.11Å; L208-I358 HydrophobicContact CD2-CD1 4.1Å
209	G	95.8	Very high	96.8	Very high	58 Å²	58	39.3 Å²	39.3	60%	0.598	22%	0.22	S	C	*	.			trans	69.4	25.8	176.8	0	0	0	0	0	114.5	T207	T207-G209 PolarHBondContact O-N 2.81Å
210	S	97.5	Very high	96.6	Very high	9 Å²	9	37 Å²	37	6%	0.063	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-63.1	130	171.9	174.4	0	0	0	0	109.5	L208 Q246 A247	L208-S210 VanDerWaalsContact C-N 3.33Å; L208-S210 PolarHBondContact O-N 3.2Å; S210-Q246 PolarHBondContact OG-N 2.91Å; S210-A247 WeakPolarHBondContact OG-CB 3.38Å; S210-A247 PolarHBondContact OG-N 3.38Å; S210-A247 VanDerWaalsContact OG-N 3.14Å
211	P	96.1	Very high	96.4	Very high	59 Å²	59	34 Å²	34	38%	0.383	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-57.7	149.6	174.8	-23.9	33.7	0	0	0	112.1	V213 Y245 Q246	P211-V213 HydrophobicContact CB-CG1 4.35Å; P211-Y245 WeakPolarHBondContact O-CA 3.45Å; P211-Q246 PolarHBondContact O-N 3.1Å
212	V	96.4	Very high	96.1	Very high	41 Å²	41	38.9 Å²	38.9	25%	0.248	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	119.8	170.8	-178.4	0	0	0	0	108.6	P156 P158 N244 Y245	P156-V212 HydrophobicContact CB-CG1 4.09Å; P156-V212 HydrophobicContact CG-CB 4.49Å; P156-V212 HydrophobicContact CG-CG1 4.08Å; P158-V212 HydrophobicContact CB-CG1 4.36Å; P158-V212 HydrophobicContact CB-CG2 4.06Å; P158-V212 HydrophobicContact CG-CG2 4.07Å; V212-N244 CarbonylContact C-O 3.55Å; V212-N244 VanDerWaalsContact CA-O 3.27Å; V212-N244 WeakPolarHBondContact CA-O 3.35Å; V212-Y245 HydrophobicContact CG2-CD1 4.36Å; V212-Y245 HydrophobicContact CG2-CE1 4.42Å
213	V	95.8	Very high	96	Very high	8 Å²	8	35.3 Å²	35.3	5%	0.048	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	167.7	-175.6	-61	0	0	0	0	110	H146 P211 C215 Y243 N244 Q246	H146-V213 HydrophobicContact CB-CB 4.15Å; H146-V213 HydrophobicContact CB-CG1 4.48Å; H146-V213 HydrophobicContact CB-CG2 3.9Å; P211-V213 HydrophobicContact CB-CG1 4.35Å; V213-C215 VanDerWaalsContact CG2-SG 3.52Å; V213-C215 PolarHBondContact O-N 2.83Å; V213-Y243 CarbonylContact O-C 3.22Å; V213-Y243 VanDerWaalsContact O-CA 3.3Å; V213-Y243 WeakPolarHBondContact O-CA 3.3Å; V213-N244 PolarHBondContact N-O 2.89Å; V213-N244 PolarHBondContact O-N 3.45Å; V213-Q246 HydrophobicContact CG2-CB 3.87Å
214	L	95.8	Very high	96	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	116.1	168.5	177.9	62.4	0	0	0	108.3	I5 V96 L97 I145 H146 I148 Y243	I5-L214 HydrophobicContact CD1-CD1 3.53Å; I5-L214 HydrophobicContact CG1-CD1 4.09Å; V96-L214 HydrophobicContact CG1-CD2 3.98Å; L97-L214 HydrophobicContact CD2-CD2 4.06Å; L97-L214 HydrophobicContact CG-CD2 4.45Å; I145-L214 HydrophobicContact CG2-CG 4.4Å; H146-L214 PolarHBondContact CD2-O 3.25Å; I148-L214 HydrophobicContact CB-CD2 4.19Å; I148-L214 HydrophobicContact CD1-CD2 4.23Å; I148-L214 HydrophobicContact CG2-CD2 4.17Å; L214-Y243 HydrophobicContact CB-CD1 4.4Å; L214-Y243 HydrophobicContact CB-CE1 4.09Å
215	C	97.4	Very high	96.1	Very high	1 Å²	1	26 Å²	26	1%	0.007	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	151.2	-177.5	-71.1	0	0	0	0	111.6	V213 N217 S241 S242 N244 D249	V213-C215 VanDerWaalsContact CG2-SG 3.52Å; V213-C215 PolarHBondContact O-N 2.83Å; C215-N217 VanDerWaalsContact CB-OD1 3.3Å; C215-N217 WeakPolarHBondContact CB-OD1 3.33Å; C215-S241 WeakPolarHBondContact O-CA 3.46Å; C215-S241 WeakPolarHBondContact O-CB 3.28Å; C215-S242 PolarHBondContact N-O 3.38Å; C215-S242 PolarHBondContact O-N 3.1Å; C215-S242 VanDerWaalsContact O-N 3.16Å; C215-N244 HydrophobicContact CB-CB 3.98Å; C215-D249 VanDerWaalsContact CA-OD2 3.26Å; C215-D249 WeakPolarHBondContact CA-OD2 3.43Å; C215-D249 HydrophobicContact CB-CB 3.89Å; C215-D249 VanDerWaalsContact CB-OD2 3.26Å; C215-D249 WeakPolarHBondContact CB-OD2 3.42Å
216	H	97.7	Very high	96.1	Very high	3 Å²	3	27.9 Å²	27.9	1%	0.014	17%	0.17	C	C	.	.			trans	-67.4	-43.7	167	-165	-84	0	0	0	110.9	D218 L219 I236 D237 Y238 Y240 S241 D249	H216-D218 PolarHBondContact CE1-O 2.89Å; H216-D218 VanDerWaalsContact CE1-O 3.26Å; H216-D218 PolarHBondContact ND1-N 2.79Å; H216-D218 PolarHBondContact ND1-O 3.27Å; H216-D218 PolarHBondContact O-N 3.16Å; H216-D218 VanDerWaalsContact O-N 3.15Å; H216-L219 PolarHBondContact ND1-N 3Å; H216-I236 PolarHBondContact CE1-O 3.49Å; H216-I236 PolarHBondContact NE2-O 3.03Å; H216-D237 PolarHBondContact CE1-O 3.24Å; H216-D237 VanDerWaalsContact CE1-O 3.26Å; H216-D237 PolarHBondContact NE2-O 2.94Å; H216-Y238 AromaticContact CD2-CD1 3.55Å; H216-Y238 AromaticContact CD2-CE1 3.8Å; H216-Y238 AromaticContact NE2-CD1 3.54Å; H216-Y238 AromaticContact NE2-CE1 3.83Å; H216-Y240 CarbonylContact O-C 3.58Å; H216-S241 WeakPolarHBondContact CA-OG 3.35Å; H216-S241 WeakPolarHBondContact O-CA 3.41Å; H216-S241 PolarHBondContact O-N 2.61Å; H216-S241 PolarHBondContact O-OG 3.34Å; H216-D249 PolarHBondContact N-OD2 3.47Å
217	N	97.6	Very high	96	Very high	5 Å²	5	26.2 Å²	26.2	3%	0.027	16%	0.158	C	C	.	.	S	Bend	trans	67	-13.5	-176.2	-58.5	-57.3	0	0	0	116.3	C215 Y240 S242 N244 F248 D249	C215-N217 VanDerWaalsContact CB-OD1 3.3Å; C215-N217 WeakPolarHBondContact CB-OD1 3.33Å; N217-Y240 WeakPolarHBondContact CB-O 3.4Å; N217-Y240 PolarHBondContact ND2-O 3.42Å; N217-S242 PolarHBondContact ND2-N 3.39Å; N217-S242 VanDerWaalsContact ND2-N 3.16Å; N217-S242 PolarHBondContact ND2-O 3.36Å; N217-S242 PolarHBondContact ND2-OG 2.97Å; N217-S242 VanDerWaalsContact ND2-OG 3.12Å; N217-N244 WeakPolarHBondContact OD1-CB 3.41Å; N217-N244 PolarHBondContact OD1-ND2 3.49Å; N217-F248 HydrophobicContact CB-CE1 4.26Å; N217-D249 VanDerWaalsContact CA-OD1 3.22Å; N217-D249 WeakPolarHBondContact CA-OD1 3.32Å; N217-D249 PolarHBondContact N-OD1 3.45Å
218	D	95.8	Very high	96	Very high	13 Å²	13	24.9 Å²	24.9	7%	0.07	15%	0.152	C	C	.	.			trans	-137.6	52.6	-179.2	-171.5	25.1	0	0	0	112.9	H216 L220 N223 Y240 W318	H216-D218 PolarHBondContact CE1-O 2.89Å; H216-D218 VanDerWaalsContact CE1-O 3.26Å; H216-D218 PolarHBondContact ND1-N 2.79Å; H216-D218 PolarHBondContact ND1-O 3.27Å; H216-D218 PolarHBondContact O-N 3.16Å; H216-D218 VanDerWaalsContact O-N 3.15Å; D218-L220 VanDerWaalsContact C-N 3.25Å; D218-L220 PolarHBondContact O-N 3.24Å; D218-N223 PolarHBondContact O-ND2 3.26Å; D218-Y240 HydrophobicContact CB-CD2 3.58Å; D218-Y240 HydrophobicContact CB-CE2 4.45Å; D218-Y240 HydrophobicContact CB-CG 4.09Å; D218-Y240 WeakPolarHBondContact OD2-CD2 3.1Å; D218-W318 HydrophobicContact CB-CH2 3.98Å; D218-W318 HydrophobicContact CB-CZ2 3.82Å; D218-W318 VanDerWaalsContact CG-CH2 3.49Å; D218-W318 WeakPolarHBondContact OD1-CH2 3.32Å; D218-W318 WeakPolarHBondContact OD1-CZ2 3.31Å
219	L	96.1	Very high	95.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.189	C	C	.	.			trans	-85.6	63	-176.7	-162.7	69.9	0	0	0	113	I138 M142 H216 I224 F235 H253	I138-L219 HydrophobicContact CG2-CD2 4.25Å; M142-L219 HydrophobicContact CE-CB 4.47Å; M142-L219 HydrophobicContact CE-CD2 3.28Å; M142-L219 HydrophobicContact CE-CG 4.49Å; H216-L219 PolarHBondContact ND1-N 3Å; L219-I224 HydrophobicContact CD1-CD1 4.46Å; L219-I224 HydrophobicContact CD1-CG1 3.85Å; L219-I224 HydrophobicContact CD2-CD1 4.37Å; L219-I224 HydrophobicContact CG-CD1 4.15Å; L219-I224 HydrophobicContact CG-CG1 4.08Å; L219-F235 HydrophobicContact CD1-CB 3.96Å; L219-F235 HydrophobicContact CD1-CD1 3.62Å; L219-F235 HydrophobicContact CD1-CD2 3.56Å; L219-F235 HydrophobicContact CD1-CE1 3.97Å; L219-F235 HydrophobicContact CD1-CE2 3.91Å; L219-F235 HydrophobicContact CD1-CG 3.44Å; L219-F235 VanDerWaalsContact CD1-CG 3.44Å; L219-F235 HydrophobicContact CD1-CZ 4.12Å; L219-F235 HydrophobicContact CD2-CD1 4.46Å; L219-F235 HydrophobicContact CD2-CD2 4.16Å; L219-F235 HydrophobicContact CD2-CE1 3.97Å; L219-F235 HydrophobicContact CD2-CE2 3.62Å; L219-F235 HydrophobicContact CD2-CZ 3.52Å; L219-F235 HydrophobicContact CG-CE2 4.45Å; L219-F235 HydrophobicContact CG-CZ 4.48Å; L219-H253 HydrophobicContact CB-CB 4.32Å; L219-H253 HydrophobicContact CD2-CB 4.33Å; L219-H253 PolarHBondContact O-ND1 3.45Å
220	L	93.4	Very high	95.7	Very high	32 Å²	32	37.3 Å²	37.3	17%	0.168	19%	0.192	C	C	.	.			trans	-72.1	159.1	168	60.4	79.9	0	0	0	111.8	D218 K222 N223 E256	D218-L220 VanDerWaalsContact C-N 3.25Å; D218-L220 PolarHBondContact O-N 3.24Å; L220-K222 VanDerWaalsContact C-N 3.27Å; L220-K222 HydrophobicContact CD1-CB 3.62Å; L220-K222 PolarHBondContact O-N 3.4Å; L220-K222 VanDerWaalsContact O-N 3.16Å; L220-N223 HydrophobicContact CD1-CB 4.14Å; L220-N223 HydrophobicContact CG-CB 4.42Å; L220-N223 WeakPolarHBondContact O-CB 3.3Å; L220-N223 PolarHBondContact O-N 3.26Å; L220-E256 HydrophobicContact CB-CB 4.31Å; L220-E256 HydrophobicContact CB-CG 3.95Å
221	C	93.8	Very high	95.5	Very high	10 Å²	10	39 Å²	39	7%	0.068	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-53.9	-41.5	-171.8	-63.7	0	0	0	0	113.2	L124 V129 N223 I224	L124-C221 CarbonylContact O-C 3.54Å; L124-C221 WeakPolarHBondContact O-CB 3.18Å; V129-C221 HydrophobicContact CG1-CB 4.32Å; V129-C221 VanDerWaalsContact CG1-SG 3.59Å; C221-N223 PolarHBondContact O-N 2.99Å; C221-I224 WeakPolarHBondContact O-CB 3.34Å; C221-I224 PolarHBondContact O-N 3.39Å; C221-I224 VanDerWaalsContact O-N 3.08Å
222	K	92.8	Very high	95.4	Very high	102 Å²	102	38.1 Å²	38.1	44%	0.443	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-69.4	-15.7	-179.2	-65.5	-69.8	178.9	-175.1	0	114.4	A123 L124 L220 I224	A123-K222 HydrophobicContact CB-CD 4.1Å; L124-K222 WeakPolarHBondContact O-CD 3.24Å; L124-K222 PolarHBondContact O-N 2.89Å; L220-K222 VanDerWaalsContact C-N 3.27Å; L220-K222 HydrophobicContact CD1-CB 3.62Å; L220-K222 PolarHBondContact O-N 3.4Å; L220-K222 VanDerWaalsContact O-N 3.16Å; K222-I224 PolarHBondContact O-N 3.46Å
223	N	95.4	Very high	95.4	Very high	13 Å²	13	36.3 Å²	36.3	7%	0.07	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-86.7	4.8	174.5	-71	-9.8	0	0	0	112	D218 L220 C221 F235 I236	D218-N223 PolarHBondContact O-ND2 3.26Å; L220-N223 HydrophobicContact CD1-CB 4.14Å; L220-N223 HydrophobicContact CG-CB 4.42Å; L220-N223 WeakPolarHBondContact O-CB 3.3Å; L220-N223 PolarHBondContact O-N 3.26Å; C221-N223 PolarHBondContact O-N 2.99Å; N223-F235 CarbonylContact O-C 3.44Å; N223-F235 VanDerWaalsContact O-CA 3.25Å; N223-F235 WeakPolarHBondContact O-CA 3.3Å; N223-I236 HydrophobicContact CB-CG1 4.48Å; N223-I236 WeakPolarHBondContact CB-O 3.3Å; N223-I236 PolarHBondContact O-N 3.18Å
224	I	97.2	Very high	95.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	116.3	176.1	-52.3	170.4	0	0	0	108.3	A123 L124 V129 I138 L219 C221 K222 V233 F235	A123-I224 WeakPolarHBondContact CA-O 3.26Å; L124-I224 HydrophobicContact CB-CB 4.35Å; L124-I224 HydrophobicContact CD1-CB 4.08Å; L124-I224 HydrophobicContact CD1-CG2 3.59Å; L124-I224 HydrophobicContact CG-CB 4.19Å; L124-I224 HydrophobicContact CG-CG2 4.04Å; L124-I224 PolarHBondContact N-O 3.25Å; V129-I224 HydrophobicContact CG1-CD1 4.29Å; I138-I224 HydrophobicContact CD1-CD1 3.94Å; I138-I224 HydrophobicContact CD1-CG2 4.44Å; I138-I224 HydrophobicContact CG1-CD1 4.17Å; I138-I224 HydrophobicContact CG1-CG2 4.05Å; I138-I224 HydrophobicContact CG2-CD1 4.17Å; L219-I224 HydrophobicContact CD1-CD1 4.46Å; L219-I224 HydrophobicContact CD1-CG1 3.85Å; L219-I224 HydrophobicContact CD2-CD1 4.37Å; L219-I224 HydrophobicContact CG-CD1 4.15Å; L219-I224 HydrophobicContact CG-CG1 4.08Å; C221-I224 WeakPolarHBondContact O-CB 3.34Å; C221-I224 PolarHBondContact O-N 3.39Å; C221-I224 VanDerWaalsContact O-N 3.08Å; K222-I224 PolarHBondContact O-N 3.46Å; I224-V233 HydrophobicContact CG2-CB 4.08Å; I224-V233 HydrophobicContact CG2-CG1 4.34Å; I224-F235 HydrophobicContact CB-CD1 4.49Å; I224-F235 HydrophobicContact CG1-CD1 4.09Å; I224-F235 HydrophobicContact CG1-CE1 4.15Å; I224-F235 HydrophobicContact CG2-CD1 4.25Å; I224-F235 HydrophobicContact CG2-CE1 4.19Å
225	I	97.1	Very high	95.6	Very high	14 Å²	14	38.3 Å²	38.3	7%	0.072	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	119.7	176.6	-55.2	-54.1	0	0	0	108.8	M119 A123 V233 R234 I236	M119-I225 HydrophobicContact CB-CG2 4.49Å; A123-I225 HydrophobicContact CB-CD1 3.75Å; I225-V233 CarbonylContact O-C 3.58Å; I225-V233 VanDerWaalsContact O-CA 3.24Å; I225-V233 WeakPolarHBondContact O-CA 3.24Å; I225-R234 PolarHBondContact N-O 2.98Å; I225-R234 PolarHBondContact O-N 3.3Å; I225-I236 HydrophobicContact CD1-CD1 3.75Å; I225-I236 HydrophobicContact CD1-CG1 4.38Å; I225-I236 HydrophobicContact CG1-CD1 3.85Å; I225-I236 HydrophobicContact CG1-CG1 4.07Å; I225-I236 HydrophobicContact CG1-CG2 3.92Å
226	H	97.5	Very high	95.4	Very high	40 Å²	40	40.1 Å²	40.1	19%	0.185	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	117.1	174.1	176	-139	0	0	0	110.4	G121 D122 L124 L134 V233	G121-H226 CarbonylContact C-O 3.54Å; G121-H226 VanDerWaalsContact CA-O 3.23Å; G121-H226 WeakPolarHBondContact CA-O 3.44Å; D122-H226 PolarHBondContact N-O 3.35Å; D122-H226 PolarHBondContact O-N 3.33Å; L124-H226 HydrophobicContact CD2-CB 3.59Å; L124-H226 HydrophobicContact CG-CB 4.28Å; L134-H226 HydrophobicContact CD2-CB 4.46Å; H226-V233 HydrophobicContact CB-CG1 4.16Å
227	N	96.1	Very high	95.1	Very high	14 Å²	14	41.9 Å²	41.9	8%	0.075	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	95.3	170	-172.9	-33.4	0	0	0	108.6	Q120 K229 E230 G231 H232	Q120-N227 WeakPolarHBondContact O-CB 3.17Å; Q120-N227 PolarHBondContact O-ND2 3.28Å; N227-K229 VanDerWaalsContact C-N 3.27Å; N227-K229 PolarHBondContact O-N 3.15Å; N227-K229 WeakPolarHBondContact OD1-CB 3.4Å; N227-K229 PolarHBondContact OD1-N 3.16Å; N227-E230 HydrophobicContact CB-CB 4.42Å; N227-E230 PolarHBondContact O-N 3.47Å; N227-E230 PolarHBondContact OD1-N 3.27Å; N227-G231 PolarHBondContact O-N 3.12Å; N227-H232 PolarHBondContact N-O 2.85Å; N227-H232 PolarHBondContact O-N 3.16Å
228	S	94.6	Very high	94.9	Very high	80 Å²	80	41.7 Å²	41.7	56%	0.559	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-28.7	-179.1	58.4	0	0	0	0	113.3
229	K	93.3	Very high	94.6	Very high	199 Å²	199	41.2 Å²	41.2	87%	0.865	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-40.2	177.8	-64.2	179.5	-179.1	174.2	0	111.6	N227	N227-K229 VanDerWaalsContact C-N 3.27Å; N227-K229 PolarHBondContact O-N 3.15Å; N227-K229 WeakPolarHBondContact OD1-CB 3.4Å; N227-K229 PolarHBondContact OD1-N 3.16Å
230	E	92	Very high	94.4	Very high	140 Å²	140	41.4 Å²	41.4	65%	0.654	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-4.8	-179.4	-65.3	-175.1	-156.8	0	0	113.3	N227 H232	N227-E230 HydrophobicContact CB-CB 4.42Å; N227-E230 PolarHBondContact O-N 3.47Å; N227-E230 PolarHBondContact OD1-N 3.27Å; E230-H232 WeakPolarHBondContact CB-ND1 3.33Å; E230-H232 PolarHBondContact O-N 2.85Å; E230-H232 IonicContact OE2-CE1 2.76Å; E230-H232 PolarHBondContact OE2-CE1 2.91Å; E230-H232 IonicContact OE2-ND1 3Å
231	G	93.8	Very high	94.5	Very high	45 Å²	45	39.9 Å²	39.9	46%	0.464	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	31.5	174.9	0	0	0	0	0	114.2	N227	N227-G231 PolarHBondContact O-N 3.12Å
232	H	94.3	Very high	94.5	Very high	40 Å²	40	39.5 Å²	39.5	19%	0.185	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	162	-178.3	78	-88.8	0	0	0	112.5	N227 E230 R234	N227-H232 PolarHBondContact N-O 2.85Å; N227-H232 PolarHBondContact O-N 3.16Å; E230-H232 WeakPolarHBondContact CB-ND1 3.33Å; E230-H232 PolarHBondContact O-N 2.85Å; E230-H232 IonicContact OE2-CE1 2.76Å; E230-H232 PolarHBondContact OE2-CE1 2.91Å; E230-H232 IonicContact OE2-ND1 3Å; H232-R234 PolarHBondContact CD2-NE 3.43Å; H232-R234 WeakPolarHBondContact NE2-CG 3.48Å; H232-R234 PolarHBondContact NE2-NE 3.25Å
233	V	97	Very high	94.6	Very high	3 Å²	3	35 Å²	35	2%	0.018	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	150.5	171.5	-58.4	0	0	0	0	110.4	L137 I138 E141 I224 I225 H226 F235	L137-V233 VanDerWaalsContact C-CG2 3.46Å; L137-V233 HydrophobicContact CB-CB 4.43Å; L137-V233 HydrophobicContact CB-CG1 3.84Å; L137-V233 HydrophobicContact CB-CG2 3.82Å; L137-V233 HydrophobicContact CD1-CG1 4.19Å; L137-V233 WeakPolarHBondContact O-CG2 3.47Å; I138-V233 HydrophobicContact CG1-CG2 4.29Å; E141-V233 HydrophobicContact CB-CG2 3.84Å; E141-V233 HydrophobicContact CG-CG2 4.38Å; I224-V233 HydrophobicContact CG2-CB 4.08Å; I224-V233 HydrophobicContact CG2-CG1 4.34Å; I225-V233 CarbonylContact O-C 3.58Å; I225-V233 VanDerWaalsContact O-CA 3.24Å; I225-V233 WeakPolarHBondContact O-CA 3.24Å; H226-V233 HydrophobicContact CB-CG1 4.16Å; V233-F235 HydrophobicContact CG2-CE1 4.4Å
234	R	96.7	Very high	94.7	Very high	48 Å²	48	34.6 Å²	34.6	18%	0.181	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.1	173.2	-67.2	-74.2	177.8	-130	-11.5	109.2	M119 E141 I225 H232	M119-R234 HydrophobicContact CE-CB 3.29Å; M119-R234 HydrophobicContact CE-CG 3.3Å; E141-R234 WeakPolarHBondContact OE1-CD 3.41Å; E141-R234 IonicContact OE1-CZ 2.72Å; E141-R234 IonicContact OE1-NH1 2.84Å; E141-R234 PolarHBondContact OE1-NH1 2.6Å; E141-R234 IonicContact OE2-CZ 3.97Å; E141-R234 IonicContact OE2-NH1 3.71Å; E141-R234 PolarHBondContact OE2-NH1 3.14Å; I225-R234 PolarHBondContact N-O 2.98Å; I225-R234 PolarHBondContact O-N 3.3Å; H232-R234 PolarHBondContact CD2-NE 3.43Å; H232-R234 WeakPolarHBondContact NE2-CG 3.48Å; H232-R234 PolarHBondContact NE2-NE 3.25Å
235	F	97.4	Very high	94.8	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.009	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	157.8	173.4	-54.2	-20.4	0	0	0	109.8	I138 E141 M142 I145 L219 N223 I224 V233 Y238	I138-F235 HydrophobicContact CG2-CE1 4.18Å; I138-F235 HydrophobicContact CG2-CZ 4.04Å; E141-F235 HydrophobicContact CB-CE1 4Å; E141-F235 HydrophobicContact CB-CE2 4.28Å; E141-F235 HydrophobicContact CB-CZ 3.75Å; E141-F235 HydrophobicContact CG-CD1 4.17Å; E141-F235 HydrophobicContact CG-CD2 4.31Å; E141-F235 HydrophobicContact CG-CE1 3.95Å; E141-F235 HydrophobicContact CG-CE2 4.1Å; E141-F235 HydrophobicContact CG-CG 4.33Å; E141-F235 HydrophobicContact CG-CZ 3.9Å; M142-F235 HydrophobicContact CB-CE2 3.9Å; M142-F235 HydrophobicContact CB-CZ 4.11Å; I145-F235 HydrophobicContact CD1-CB 4.48Å; I145-F235 HydrophobicContact CD1-CD2 3.47Å; I145-F235 VanDerWaalsContact CD1-CD2 3.47Å; I145-F235 HydrophobicContact CD1-CE2 4.07Å; I145-F235 HydrophobicContact CD1-CG 4.35Å; L219-F235 HydrophobicContact CD1-CB 3.96Å; L219-F235 HydrophobicContact CD1-CD1 3.62Å; L219-F235 HydrophobicContact CD1-CD2 3.56Å; L219-F235 HydrophobicContact CD1-CE1 3.97Å; L219-F235 HydrophobicContact CD1-CE2 3.91Å; L219-F235 HydrophobicContact CD1-CG 3.44Å; L219-F235 VanDerWaalsContact CD1-CG 3.44Å; L219-F235 HydrophobicContact CD1-CZ 4.12Å; L219-F235 HydrophobicContact CD2-CD1 4.46Å; L219-F235 HydrophobicContact CD2-CD2 4.16Å; L219-F235 HydrophobicContact CD2-CE1 3.97Å; L219-F235 HydrophobicContact CD2-CE2 3.62Å; L219-F235 HydrophobicContact CD2-CZ 3.52Å; L219-F235 HydrophobicContact CG-CE2 4.45Å; L219-F235 HydrophobicContact CG-CZ 4.48Å; N223-F235 CarbonylContact O-C 3.44Å; N223-F235 VanDerWaalsContact O-CA 3.25Å; N223-F235 WeakPolarHBondContact O-CA 3.3Å; I224-F235 HydrophobicContact CB-CD1 4.49Å; I224-F235 HydrophobicContact CG1-CD1 4.09Å; I224-F235 HydrophobicContact CG1-CE1 4.15Å; I224-F235 HydrophobicContact CG2-CD1 4.25Å; I224-F235 HydrophobicContact CG2-CE1 4.19Å; V233-F235 HydrophobicContact CG2-CE1 4.4Å; F235-Y238 HydrophobicContact CB-CE1 4.26Å; F235-Y238 PolarHBondContact O-OH 3.3Å
236	I	94.6	Very high	94.8	Very high	39 Å²	39	35.4 Å²	35.4	20%	0.2	18%	0.183	C	C	.	.			trans	-140.5	168.3	175.1	58.8	166.5	0	0	0	109.3	M119 H216 N223 I225	M119-I236 HydrophobicContact CB-CG2 4.33Å; M119-I236 HydrophobicContact CG-CG2 3.96Å; H216-I236 PolarHBondContact CE1-O 3.49Å; H216-I236 PolarHBondContact NE2-O 3.03Å; N223-I236 HydrophobicContact CB-CG1 4.48Å; N223-I236 WeakPolarHBondContact CB-O 3.3Å; N223-I236 PolarHBondContact O-N 3.18Å; I225-I236 HydrophobicContact CD1-CD1 3.75Å; I225-I236 HydrophobicContact CD1-CG1 4.38Å; I225-I236 HydrophobicContact CG1-CD1 3.85Å; I225-I236 HydrophobicContact CG1-CG1 4.07Å; I225-I236 HydrophobicContact CG1-CG2 3.92Å
237	D	91.3	Very high	94.9	Very high	40 Å²	40	33.5 Å²	33.5	21%	0.214	17%	0.174	C	C	.	.			trans	66.7	71.7	176.4	-149.2	-1.7	0	0	0	115.2	R75 H216 E239	R75-D237 IonicContact NH1-OD1 2.72Å; R75-D237 PolarHBondContact NH1-OD1 3.44Å; H216-D237 PolarHBondContact CE1-O 3.24Å; H216-D237 VanDerWaalsContact CE1-O 3.26Å; H216-D237 PolarHBondContact NE2-O 2.94Å; D237-E239 VanDerWaalsContact C-N 3.28Å; D237-E239 PolarHBondContact O-N 2.9Å
238	Y	92.2	Very high	95	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.008	17%	0.171	C	C	.	.			trans	-87.6	23.6	-173	-47.6	-67.2	0	0	0	114.6	F94 L97 C102 A103 H216 F235 Y240 S241	F94-Y238 AromaticContact CD2-CD2 3.99Å; F94-Y238 HydrophobicContact CD2-CD2 3.99Å; F94-Y238 HydrophobicContact CE2-CD2 4.18Å; F94-Y238 HydrophobicContact CE2-CE2 4.49Å; F94-Y238 HydrophobicContact CG-CD2 4.34Å; L97-Y238 HydrophobicContact CD1-CD1 3.33Å; L97-Y238 HydrophobicContact CD1-CD2 3.87Å; L97-Y238 HydrophobicContact CD1-CE1 3.69Å; L97-Y238 HydrophobicContact CD1-CE2 4.17Å; L97-Y238 HydrophobicContact CD1-CG 3.41Å; L97-Y238 VanDerWaalsContact CD1-CG 3.41Å; C102-Y238 PolarHBondContact O-OH 2.94Å; A103-Y238 WeakPolarHBondContact CA-OH 3.48Å; A103-Y238 HydrophobicContact CB-CD2 4.29Å; A103-Y238 HydrophobicContact CB-CE2 3.4Å; A103-Y238 VanDerWaalsContact CB-CE2 3.4Å; H216-Y238 AromaticContact CD2-CD1 3.55Å; H216-Y238 AromaticContact CD2-CE1 3.8Å; H216-Y238 AromaticContact NE2-CD1 3.54Å; H216-Y238 AromaticContact NE2-CE1 3.83Å; F235-Y238 HydrophobicContact CB-CE1 4.26Å; F235-Y238 PolarHBondContact O-OH 3.3Å; Y238-Y240 VanDerWaalsContact C-N 3.25Å; Y238-Y240 PolarHBondContact O-N 3.47Å; Y238-S241 WeakPolarHBondContact CA-OG 3.19Å; Y238-S241 WeakPolarHBondContact CB-OG 3.34Å; Y238-S241 VanDerWaalsContact O-CB 3.24Å; Y238-S241 WeakPolarHBondContact O-CB 3.47Å; Y238-S241 PolarHBondContact O-N 3.45Å; Y238-S241 PolarHBondContact O-OG 2.89Å
239	E	90.1	Very high	95.2	Very high	3 Å²	3	29.1 Å²	29.1	1%	0.014	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-27.6	-171.3	75.2	176.9	-174.5	0	0	113	N57 V85 R87 E90 D237	N57-E239 PolarHBondContact ND2-OE2 3.49Å; V85-E239 HydrophobicContact CG1-CB 3.94Å; V85-E239 HydrophobicContact CG2-CB 4.49Å; V85-E239 HydrophobicContact CG2-CG 4.26Å; R87-E239 IonicContact NH1-OE2 2.82Å; R87-E239 PolarHBondContact NH1-OE2 3.46Å; R87-E239 IonicContact NH2-OE2 3.76Å; E90-E239 HydrophobicContact CG-CB 4.44Å; E90-E239 WeakPolarHBondContact OE1-CA 3.36Å; E90-E239 WeakPolarHBondContact OE1-CB 3.38Å; D237-E239 VanDerWaalsContact C-N 3.28Å; D237-E239 PolarHBondContact O-N 2.9Å
240	Y	93.1	Very high	95.5	Very high	3 Å²	3	19.6 Å²	19.6	1%	0.012	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-3.6	173.6	-62.1	-80.4	0	0	0	113.8	Y167 H216 N217 D218 Y238 S242 W318 W321	Y167-Y240 WeakPolarHBondContact OH-CE1 3.36Å; H216-Y240 CarbonylContact O-C 3.58Å; N217-Y240 WeakPolarHBondContact CB-O 3.4Å; N217-Y240 PolarHBondContact ND2-O 3.42Å; D218-Y240 HydrophobicContact CB-CD2 3.58Å; D218-Y240 HydrophobicContact CB-CE2 4.45Å; D218-Y240 HydrophobicContact CB-CG 4.09Å; D218-Y240 WeakPolarHBondContact OD2-CD2 3.1Å; Y238-Y240 VanDerWaalsContact C-N 3.25Å; Y238-Y240 PolarHBondContact O-N 3.47Å; Y240-S242 PolarHBondContact O-N 3.05Å; Y240-W318 HydrophobicContact CD1-CH2 4.33Å; Y240-W318 HydrophobicContact CD2-CH2 4.01Å; Y240-W318 HydrophobicContact CE1-CH2 4.23Å; Y240-W318 HydrophobicContact CE1-CZ3 4.4Å; Y240-W318 AromaticContact CE2-CH2 3.89Å; Y240-W318 HydrophobicContact CE2-CH2 3.89Å; Y240-W318 HydrophobicContact CE2-CZ3 4.38Å; Y240-W318 HydrophobicContact CG-CH2 4.24Å; Y240-W321 PolarHBondContact OH-NE1 2.92Å; Y240-W321 VanDerWaalsContact OH-NE1 3.16Å
241	S	94.8	Very high	95.8	Very high	1 Å²	1	13 Å²	13	1%	0.007	7%	0.072	C	C	.	.			trans	-63.5	131.7	-174.1	-65.7	0	0	0	0	112.3	N89 S93 C215 H216 Y238	N89-S241 PolarHBondContact ND2-O 2.97Å; S93-S241 PolarHBondContact OG-O 3.45Å; C215-S241 WeakPolarHBondContact O-CA 3.46Å; C215-S241 WeakPolarHBondContact O-CB 3.28Å; H216-S241 WeakPolarHBondContact CA-OG 3.35Å; H216-S241 WeakPolarHBondContact O-CA 3.41Å; H216-S241 PolarHBondContact O-N 2.61Å; H216-S241 PolarHBondContact O-OG 3.34Å; Y238-S241 WeakPolarHBondContact CA-OG 3.19Å; Y238-S241 WeakPolarHBondContact CB-OG 3.34Å; Y238-S241 VanDerWaalsContact O-CB 3.24Å; Y238-S241 WeakPolarHBondContact O-CB 3.47Å; Y238-S241 PolarHBondContact O-N 3.45Å; Y238-S241 PolarHBondContact O-OG 2.89Å
242	S	94.1	Very high	96	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.014	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167	167.1	-179.9	61	0	0	0	0	110.1	N159 C215 N217 Y240 N244	N159-S242 PolarHBondContact ND2-OG 3.46Å; C215-S242 PolarHBondContact N-O 3.38Å; C215-S242 PolarHBondContact O-N 3.1Å; C215-S242 VanDerWaalsContact O-N 3.16Å; N217-S242 PolarHBondContact ND2-N 3.39Å; N217-S242 VanDerWaalsContact ND2-N 3.16Å; N217-S242 PolarHBondContact ND2-O 3.36Å; N217-S242 PolarHBondContact ND2-OG 2.97Å; N217-S242 VanDerWaalsContact ND2-OG 3.12Å; Y240-S242 PolarHBondContact O-N 3.05Å; S242-N244 PolarHBondContact O-N 2.95Å
243	Y	95.1	Very high	96.2	Very high	8 Å²	8	8.9 Å²	8.9	3%	0.031	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	123.8	169.2	-74.9	-71.9	0	0	0	110.6	I5 A150 P156 N159 V213 L214	I5-Y243 HydrophobicContact CG1-CD2 4.06Å; I5-Y243 HydrophobicContact CG1-CE2 3.94Å; A150-Y243 VanDerWaalsContact CA-OH 3.23Å; A150-Y243 WeakPolarHBondContact CA-OH 3.48Å; A150-Y243 VanDerWaalsContact CB-OH 3.3Å; A150-Y243 WeakPolarHBondContact CB-OH 3.29Å; A150-Y243 PolarHBondContact N-OH 3.38Å; P156-Y243 HydrophobicContact CB-CD1 3.36Å; P156-Y243 HydrophobicContact CB-CD2 3.82Å; P156-Y243 HydrophobicContact CB-CE1 3.87Å; P156-Y243 HydrophobicContact CB-CE2 4.26Å; P156-Y243 HydrophobicContact CB-CG 3.35Å; P156-Y243 HydrophobicContact CG-CD1 3.69Å; P156-Y243 HydrophobicContact CG-CE1 3.96Å; P156-Y243 HydrophobicContact CG-CG 4.21Å; N159-Y243 WeakPolarHBondContact CB-O 3.14Å; N159-Y243 PolarHBondContact N-O 2.94Å; V213-Y243 CarbonylContact O-C 3.22Å; V213-Y243 VanDerWaalsContact O-CA 3.3Å; V213-Y243 WeakPolarHBondContact O-CA 3.3Å; L214-Y243 HydrophobicContact CB-CD1 4.4Å; L214-Y243 HydrophobicContact CB-CE1 4.09Å
244	N	97.2	Very high	96.3	Very high	4 Å²	4	8.8 Å²	8.8	2%	0.021	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	175.6	-177	-155.9	7.2	0	0	0	111.9	L160 V212 V213 C215 N217 S242 Q246 F248	L160-N244 WeakPolarHBondContact CB-OD1 3.17Å; L160-N244 PolarHBondContact N-OD1 2.84Å; V212-N244 CarbonylContact C-O 3.55Å; V212-N244 VanDerWaalsContact CA-O 3.27Å; V212-N244 WeakPolarHBondContact CA-O 3.35Å; V213-N244 PolarHBondContact N-O 2.89Å; V213-N244 PolarHBondContact O-N 3.45Å; C215-N244 HydrophobicContact CB-CB 3.98Å; N217-N244 WeakPolarHBondContact OD1-CB 3.41Å; N217-N244 PolarHBondContact OD1-ND2 3.49Å; S242-N244 PolarHBondContact O-N 2.95Å; N244-Q246 PolarHBondContact O-N 2.92Å; N244-F248 WeakPolarHBondContact ND2-CD1 3.3Å
245	Y	98.4	Very high	96.4	Very high	22 Å²	22	6.7 Å²	6.7	9%	0.086	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	126.5	175.4	-60.9	-78.1	0	0	0	110.7	P158 L160 W161 S206 P211 V212 A247 F248 D249 F310	P158-Y245 HydrophobicContact CB-CD1 4.45Å; P158-Y245 HydrophobicContact CB-CD2 3.73Å; P158-Y245 HydrophobicContact CB-CE1 4.19Å; P158-Y245 HydrophobicContact CB-CE2 3.42Å; P158-Y245 VanDerWaalsContact CB-CE2 3.42Å; P158-Y245 HydrophobicContact CB-CG 4.25Å; P158-Y245 HydrophobicContact CG-CD2 4.34Å; P158-Y245 HydrophobicContact CG-CE1 3.92Å; P158-Y245 HydrophobicContact CG-CE2 3.58Å; P158-Y245 VanDerWaalsContact CG-OH 3.29Å; P158-Y245 WeakPolarHBondContact CG-OH 3.24Å; L160-Y245 HydrophobicContact CB-CD2 4.4Å; L160-Y245 HydrophobicContact CD2-CD2 4.07Å; L160-Y245 HydrophobicContact CD2-CE2 4.44Å; W161-Y245 AromaticContact CD1-CE2 3.98Å; W161-Y245 HydrophobicContact CZ2-CE2 4.43Å; W161-Y245 AromaticContact NE1-CE2 3.41Å; W161-Y245 AromaticContact NE1-CZ 3.72Å; W161-Y245 PolarHBondContact NE1-OH 3.3Å; S206-Y245 PolarHBondContact OG-OH 3.28Å; P211-Y245 WeakPolarHBondContact O-CA 3.45Å; V212-Y245 HydrophobicContact CG2-CD1 4.36Å; V212-Y245 HydrophobicContact CG2-CE1 4.42Å; Y245-A247 PolarHBondContact O-N 3.05Å; Y245-F248 WeakPolarHBondContact O-CB 3.4Å; Y245-F248 PolarHBondContact O-N 3.38Å; Y245-D249 PolarHBondContact O-N 2.94Å; Y245-F310 HydrophobicContact CD1-CE1 4.21Å; Y245-F310 AromaticContact CD1-CZ 3.81Å; Y245-F310 HydrophobicContact CD1-CZ 3.81Å; Y245-F310 HydrophobicContact CD2-CD1 4.4Å; Y245-F310 AromaticContact CD2-CE1 3.43Å; Y245-F310 HydrophobicContact CD2-CE1 3.43Å; Y245-F310 VanDerWaalsContact CD2-CE1 3.43Å; Y245-F310 AromaticContact CD2-CZ 3.88Å; Y245-F310 HydrophobicContact CD2-CZ 3.88Å; Y245-F310 HydrophobicContact CE1-CZ 4.22Å; Y245-F310 AromaticContact CE2-CE1 4Å; Y245-F310 HydrophobicContact CE2-CE1 4Å; Y245-F310 HydrophobicContact CE2-CZ 4.29Å; Y245-F310 HydrophobicContact CG-CD1 4.46Å; Y245-F310 AromaticContact CG-CE1 3.53Å; Y245-F310 HydrophobicContact CG-CE1 3.53Å; Y245-F310 AromaticContact CG-CZ 3.6Å; Y245-F310 HydrophobicContact CG-CZ 3.6Å
246	Q	98.4	Very high	96.3	Very high	9 Å²	9	6.9 Å²	6.9	4%	0.042	3%	0.034	C	C	.	.	H	α-helix	trans	-48.7	-44.7	172.8	175.5	-178.2	84.3	0	0	111.9	S210 P211 V213 N244 F248 D249 I250 Y281	S210-Q246 PolarHBondContact OG-N 2.91Å; P211-Q246 PolarHBondContact O-N 3.1Å; V213-Q246 HydrophobicContact CG2-CB 3.87Å; N244-Q246 PolarHBondContact O-N 2.92Å; Q246-F248 VanDerWaalsContact C-N 3.28Å; Q246-F248 PolarHBondContact O-N 3.15Å; Q246-D249 PolarHBondContact O-N 3.47Å; Q246-I250 HydrophobicContact CG-CD1 3.91Å; Q246-I250 WeakPolarHBondContact O-CG1 3.47Å; Q246-I250 PolarHBondContact O-N 2.94Å; Q246-Y281 VanDerWaalsContact CD-OH 3.24Å; Q246-Y281 HydrophobicContact CG-CE1 4.32Å; Q246-Y281 WeakPolarHBondContact CG-OH 3.25Å; Q246-Y281 PolarHBondContact NE2-OH 2.78Å
247	A	98.8	Very high	96.3	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-65.6	-28.2	-179.9	0	0	0	0	0	113.7	S210 Y245 G251 Q306 V307 F310	S210-A247 WeakPolarHBondContact OG-CB 3.38Å; S210-A247 PolarHBondContact OG-N 3.38Å; S210-A247 VanDerWaalsContact OG-N 3.14Å; Y245-A247 PolarHBondContact O-N 3.05Å; A247-G251 PolarHBondContact O-N 3.34Å; A247-Q306 HydrophobicContact CB-CB 3.77Å; A247-V307 HydrophobicContact CB-CG2 4.18Å; A247-F310 HydrophobicContact CB-CB 3.99Å; A247-F310 HydrophobicContact CB-CD2 3.49Å; A247-F310 VanDerWaalsContact CB-CD2 3.49Å; A247-F310 HydrophobicContact CB-CE2 4.17Å; A247-F310 HydrophobicContact CB-CG 3.89Å
248	F	98.8	Very high	96.5	Very high	1 Å²	1	3.2 Å²	3.2	0%	0.004	1%	0.014	C	C	.	.	H	α-helix	trans	-67.7	-45.7	174.8	176.1	-91.5	0	0	0	111.5	L160 N217 N244 Y245 Q246 I250 G251 N252 F310 A313 F317	L160-F248 HydrophobicContact CD1-CD2 3.76Å; L160-F248 HydrophobicContact CD1-CE1 4.39Å; L160-F248 HydrophobicContact CD1-CE2 3.39Å; L160-F248 HydrophobicContact CD1-CG 4.38Å; L160-F248 HydrophobicContact CD1-CZ 3.76Å; L160-F248 HydrophobicContact CD2-CB 4.39Å; L160-F248 HydrophobicContact CD2-CD2 3.62Å; L160-F248 HydrophobicContact CD2-CE2 4.14Å; L160-F248 HydrophobicContact CD2-CG 4.1Å; L160-F248 HydrophobicContact CG-CD2 4.32Å; L160-F248 HydrophobicContact CG-CE2 4.41Å; N217-F248 HydrophobicContact CB-CE1 4.26Å; N244-F248 WeakPolarHBondContact ND2-CD1 3.3Å; Y245-F248 WeakPolarHBondContact O-CB 3.4Å; Y245-F248 PolarHBondContact O-N 3.38Å; Q246-F248 VanDerWaalsContact C-N 3.28Å; Q246-F248 PolarHBondContact O-N 3.15Å; F248-I250 PolarHBondContact O-N 3.28Å; F248-G251 PolarHBondContact O-N 2.94Å; F248-N252 WeakPolarHBondContact O-CB 3.42Å; F248-N252 PolarHBondContact O-N 3.22Å; F248-F310 HydrophobicContact CB-CB 4.42Å; F248-F310 HydrophobicContact CB-CD1 3.93Å; F248-F310 HydrophobicContact CB-CG 4.49Å; F248-A313 HydrophobicContact CD2-CB 4.13Å; F248-A313 HydrophobicContact CE2-CB 4.29Å; F248-F317 HydrophobicContact CE2-CB 4.38Å; F248-F317 HydrophobicContact CZ-CB 4.27Å; F248-F317 HydrophobicContact CZ-CG 4.21Å
249	D	98.8	Very high	96.3	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-66.9	-41.3	-176.3	-151.9	15.8	0	0	0	111.7	H146 C215 H216 N217 Y245 Q246 H253	H146-D249 IonicContact CE1-OD2 3.54Å; H146-D249 IonicContact NE2-OD2 3.04Å; H146-D249 PolarHBondContact NE2-OD2 3.44Å; C215-D249 VanDerWaalsContact CA-OD2 3.26Å; C215-D249 WeakPolarHBondContact CA-OD2 3.43Å; C215-D249 HydrophobicContact CB-CB 3.89Å; C215-D249 VanDerWaalsContact CB-OD2 3.26Å; C215-D249 WeakPolarHBondContact CB-OD2 3.42Å; H216-D249 PolarHBondContact N-OD2 3.47Å; N217-D249 VanDerWaalsContact CA-OD1 3.22Å; N217-D249 WeakPolarHBondContact CA-OD1 3.32Å; N217-D249 PolarHBondContact N-OD1 3.45Å; Y245-D249 PolarHBondContact O-N 2.94Å; Q246-D249 PolarHBondContact O-N 3.47Å; D249-H253 PolarHBondContact O-N 3.12Å
250	I	98.9	Very high	95.9	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-66.7	-48.1	174.8	-57.1	165.6	0	0	0	110.7	M142 Q246 F248 N252 H253 F254 W277 L278 Y281 L303 V307	M142-I250 HydrophobicContact SD-CB 4.33Å; M142-I250 HydrophobicContact SD-CG1 3.51Å; M142-I250 VanDerWaalsContact SD-CG1 3.51Å; Q246-I250 HydrophobicContact CG-CD1 3.91Å; Q246-I250 WeakPolarHBondContact O-CG1 3.47Å; Q246-I250 PolarHBondContact O-N 2.94Å; F248-I250 PolarHBondContact O-N 3.28Å; I250-N252 VanDerWaalsContact C-N 3.26Å; I250-N252 PolarHBondContact O-N 3.42Å; I250-H253 WeakPolarHBondContact O-CB 3.29Å; I250-H253 PolarHBondContact O-N 3.11Å; I250-H253 VanDerWaalsContact O-N 3.15Å; I250-F254 HydrophobicContact CG2-CD2 4.34Å; I250-F254 HydrophobicContact CG2-CE1 4.16Å; I250-F254 HydrophobicContact CG2-CE2 3.86Å; I250-F254 HydrophobicContact CG2-CZ 3.76Å; I250-F254 PolarHBondContact O-N 3.22Å; I250-W277 HydrophobicContact CB-CH2 4.46Å; I250-W277 HydrophobicContact CB-CZ3 4.34Å; I250-W277 HydrophobicContact CD1-CZ3 4.07Å; I250-W277 HydrophobicContact CG1-CH2 3.94Å; I250-W277 HydrophobicContact CG1-CZ3 3.91Å; I250-W277 HydrophobicContact CG2-CE3 4.05Å; I250-W277 HydrophobicContact CG2-CH2 3.89Å; I250-W277 HydrophobicContact CG2-CZ3 3.49Å; I250-W277 VanDerWaalsContact CG2-CZ3 3.49Å; I250-L278 HydrophobicContact CD1-CD2 4.34Å; I250-L278 HydrophobicContact CG2-CD2 3.88Å; I250-Y281 HydrophobicContact CD1-CD1 4.23Å; I250-Y281 HydrophobicContact CD1-CE1 4.04Å; I250-Y281 HydrophobicContact CD1-CE2 4.36Å; I250-L303 HydrophobicContact CD1-CD1 4.25Å; I250-L303 HydrophobicContact CD1-CD2 4.35Å; I250-V307 HydrophobicContact CB-CG1 4.2Å; I250-V307 HydrophobicContact CB-CG2 3.85Å; I250-V307 HydrophobicContact CD1-CG2 4.03Å; I250-V307 HydrophobicContact CG2-CB 4.46Å; I250-V307 HydrophobicContact CG2-CG1 3.71Å; I250-V307 HydrophobicContact CG2-CG2 3.83Å
251	G	98.6	Very high	95.1	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.5	-35.3	-180	0	0	0	0	0	112.2	A247 F248 F254 N255	A247-G251 PolarHBondContact O-N 3.34Å; F248-G251 PolarHBondContact O-N 2.94Å; G251-F254 PolarHBondContact O-N 3.23Å; G251-N255 PolarHBondContact O-N 3.01Å; G251-N255 VanDerWaalsContact O-N 3.14Å
252	N	98.6	Very high	94.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.5	-52.1	170.8	-173.5	75.1	0	0	0	110.9	F248 I250 F254 N255 E256 S314 W318	F248-N252 WeakPolarHBondContact O-CB 3.42Å; F248-N252 PolarHBondContact O-N 3.22Å; I250-N252 VanDerWaalsContact C-N 3.26Å; I250-N252 PolarHBondContact O-N 3.42Å; N252-F254 VanDerWaalsContact C-N 3.27Å; N252-F254 PolarHBondContact O-N 3.41Å; N252-N255 WeakPolarHBondContact O-CB 3.43Å; N252-N255 PolarHBondContact O-N 3.36Å; N252-E256 WeakPolarHBondContact O-CG 3.46Å; N252-E256 PolarHBondContact O-N 3.17Å; N252-S314 WeakPolarHBondContact OD1-CB 3.4Å; N252-S314 PolarHBondContact OD1-OG 2.94Å; N252-W318 PolarHBondContact OD1-NE1 3.32Å
253	H	98.4	Very high	94.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-55.8	-40.8	178.3	178	54.6	0	0	0	112.7	I138 M142 L219 D249 I250 N255 E256 F257	I138-H253 WeakPolarHBondContact CG2-NE2 3.47Å; M142-H253 HydrophobicContact CE-CB 3.88Å; L219-H253 HydrophobicContact CB-CB 4.32Å; L219-H253 HydrophobicContact CD2-CB 4.33Å; L219-H253 PolarHBondContact O-ND1 3.45Å; D249-H253 PolarHBondContact O-N 3.12Å; I250-H253 WeakPolarHBondContact O-CB 3.29Å; I250-H253 PolarHBondContact O-N 3.11Å; I250-H253 VanDerWaalsContact O-N 3.15Å; H253-N255 VanDerWaalsContact C-N 3.35Å; H253-N255 PolarHBondContact O-N 3.48Å; H253-E256 WeakPolarHBondContact O-CB 3.49Å; H253-E256 PolarHBondContact O-N 2.8Å; H253-E256 VanDerWaalsContact O-N 3.12Å; H253-F257 AromaticContact NE2-CE1 3.66Å; H253-F257 WeakPolarHBondContact O-CD1 3.49Å
254	F	98.4	Very high	94.1	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	14%	0.139	C	C	.	.	H	α-helix	trans	-64.9	-35.1	175.7	-68.8	-11.3	0	0	0	113.3	I250 G251 N252 E256 F257 Y268 P269 Q274 W277 L278 V307	I250-F254 HydrophobicContact CG2-CD2 4.34Å; I250-F254 HydrophobicContact CG2-CE1 4.16Å; I250-F254 HydrophobicContact CG2-CE2 3.86Å; I250-F254 HydrophobicContact CG2-CZ 3.76Å; I250-F254 PolarHBondContact O-N 3.22Å; G251-F254 PolarHBondContact O-N 3.23Å; N252-F254 VanDerWaalsContact C-N 3.27Å; N252-F254 PolarHBondContact O-N 3.41Å; F254-E256 PolarHBondContact O-N 3.07Å; F254-F257 HydrophobicContact CD1-CE1 4.12Å; F254-F257 WeakPolarHBondContact O-CB 3.49Å; F254-F257 PolarHBondContact O-N 3.28Å; F254-Y268 HydrophobicContact CB-CD2 4.46Å; F254-Y268 HydrophobicContact CB-CE2 3.71Å; F254-Y268 WeakPolarHBondContact O-CD2 3.42Å; F254-P269 HydrophobicContact CB-CG 3.76Å; F254-P269 HydrophobicContact CD1-CG 3.9Å; F254-P269 HydrophobicContact CD2-CG 4.1Å; F254-P269 HydrophobicContact CG-CG 3.67Å; F254-Q274 HydrophobicContact CD2-CG 3.94Å; F254-Q274 HydrophobicContact CE2-CB 4Å; F254-Q274 HydrophobicContact CE2-CG 3.63Å; F254-Q274 HydrophobicContact CZ-CB 4.39Å; F254-Q274 HydrophobicContact CZ-CG 4.22Å; F254-W277 HydrophobicContact CE1-CB 4.38Å; F254-W277 AromaticContact CE1-CD2 3.72Å; F254-W277 HydrophobicContact CE1-CD2 3.72Å; F254-W277 HydrophobicContact CE1-CE3 4.09Å; F254-W277 AromaticContact CE1-CG 3.82Å; F254-W277 HydrophobicContact CE1-CG 3.82Å; F254-W277 HydrophobicContact CZ-CB 4.18Å; F254-W277 AromaticContact CZ-CD2 3.82Å; F254-W277 HydrophobicContact CZ-CD2 3.82Å; F254-W277 AromaticContact CZ-CE3 3.78Å; F254-W277 HydrophobicContact CZ-CE3 3.78Å; F254-W277 AromaticContact CZ-CG 3.97Å; F254-W277 HydrophobicContact CZ-CG 3.97Å; F254-L278 HydrophobicContact CE2-CD2 4.44Å; F254-L278 HydrophobicContact CZ-CD2 4.36Å; F254-L278 HydrophobicContact CZ-CG 4.47Å; F254-V307 HydrophobicContact CD2-CG1 3.68Å; F254-V307 HydrophobicContact CE2-CG1 3.67Å
255	N	97.8	Very high	93.9	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-62.8	-31.2	172.8	-75.6	-21.6	0	0	0	112.3	G251 N252 H253 F257 A258 Y268 A311 S314 H315	G251-N255 PolarHBondContact O-N 3.01Å; G251-N255 VanDerWaalsContact O-N 3.14Å; N252-N255 WeakPolarHBondContact O-CB 3.43Å; N252-N255 PolarHBondContact O-N 3.36Å; H253-N255 VanDerWaalsContact C-N 3.35Å; H253-N255 PolarHBondContact O-N 3.48Å; N255-F257 PolarHBondContact O-N 3.06Å; N255-A258 WeakPolarHBondContact O-CB 3.34Å; N255-A258 PolarHBondContact O-N 3.36Å; N255-Y268 WeakPolarHBondContact OD1-CE2 3.38Å; N255-A311 PolarHBondContact ND2-O 3.39Å; N255-S314 WeakPolarHBondContact ND2-CB 3.42Å; N255-S314 PolarHBondContact ND2-OG 2.97Å; N255-S314 VanDerWaalsContact ND2-OG 3.1Å; N255-H315 PolarHBondContact OD1-NE2 3.49Å
256	E	95.9	Very high	93.7	Very high	6 Å²	6	28.8 Å²	28.8	3%	0.028	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-74.2	-5.9	-178.8	-59.2	-55.5	130.7	0	0	113.7	L220 N252 H253 F254 A258 G259 R342	L220-E256 HydrophobicContact CB-CB 4.31Å; L220-E256 HydrophobicContact CB-CG 3.95Å; N252-E256 WeakPolarHBondContact O-CG 3.46Å; N252-E256 PolarHBondContact O-N 3.17Å; H253-E256 WeakPolarHBondContact O-CB 3.49Å; H253-E256 PolarHBondContact O-N 2.8Å; H253-E256 VanDerWaalsContact O-N 3.12Å; F254-E256 PolarHBondContact O-N 3.07Å; E256-A258 PolarHBondContact O-N 2.85Å; E256-G259 PolarHBondContact O-N 3.18Å; E256-G259 VanDerWaalsContact O-N 3.14Å; E256-R342 IonicContact OE1-CZ 3.97Å; E256-R342 IonicContact OE1-NH1 3.22Å; E256-R342 PolarHBondContact OE1-NH1 3.5Å; E256-R342 VanDerWaalsContact OE1-NH1 3.1Å; E256-R342 IonicContact OE1-NH2 3.95Å
257	F	95.6	Very high	93.5	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-64.4	-26.4	169.4	-79.6	49.2	0	0	0	111.8	V129 R130 H253 F254 N255 G259 L267 P269 M273	V129-F257 HydrophobicContact CB-CD1 4.41Å; V129-F257 HydrophobicContact CB-CE1 4.05Å; V129-F257 HydrophobicContact CB-CE2 4.37Å; V129-F257 HydrophobicContact CB-CZ 4.02Å; V129-F257 HydrophobicContact CG2-CD1 3.96Å; V129-F257 HydrophobicContact CG2-CD2 4.06Å; V129-F257 HydrophobicContact CG2-CE1 4.09Å; V129-F257 HydrophobicContact CG2-CE2 4.19Å; V129-F257 HydrophobicContact CG2-CG 3.94Å; V129-F257 HydrophobicContact CG2-CZ 4.2Å; V129-F257 WeakPolarHBondContact O-CE2 3.35Å; V129-F257 WeakPolarHBondContact O-CZ 3.39Å; R130-F257 HydrophobicContact CG-CD2 4.01Å; R130-F257 HydrophobicContact CG-CE2 4.22Å; H253-F257 AromaticContact NE2-CE1 3.66Å; H253-F257 WeakPolarHBondContact O-CD1 3.49Å; F254-F257 HydrophobicContact CD1-CE1 4.12Å; F254-F257 WeakPolarHBondContact O-CB 3.49Å; F254-F257 PolarHBondContact O-N 3.28Å; N255-F257 PolarHBondContact O-N 3.06Å; F257-G259 PolarHBondContact O-N 3.16Å; F257-L267 WeakPolarHBondContact CB-O 3.3Å; F257-L267 WeakPolarHBondContact O-CB 3.35Å; F257-P269 HydrophobicContact CD2-CB 4.17Å; F257-P269 HydrophobicContact CD2-CG 4.26Å; F257-P269 HydrophobicContact CE2-CB 4.03Å; F257-P269 HydrophobicContact CE2-CG 4.32Å; F257-P269 HydrophobicContact CG-CG 4.48Å; F257-M273 HydrophobicContact CE2-SD 3.95Å
258	A	94.3	Very high	93.4	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-69.9	-15.1	176.4	0	0	0	0	0	112.9	N255 E256 L263 D264 Y265	N255-A258 WeakPolarHBondContact O-CB 3.34Å; N255-A258 PolarHBondContact O-N 3.36Å; E256-A258 PolarHBondContact O-N 2.85Å; A258-L263 HydrophobicContact CB-CD1 3.74Å; A258-L263 CarbonylContact O-C 3.58Å; A258-L263 WeakPolarHBondContact O-CA 3.31Å; A258-D264 VanDerWaalsContact CA-O 3.27Å; A258-D264 WeakPolarHBondContact CA-O 3.37Å; A258-D264 WeakPolarHBondContact CB-O 3.4Å; A258-D264 PolarHBondContact O-N 3.46Å; A258-Y265 HydrophobicContact CB-CD1 3.76Å; A258-Y265 HydrophobicContact CB-CE1 4.21Å
259	G	89.1	Confident	93.3	Very high	9 Å²	9	33.2 Å²	33.2	9%	0.093	20%	0.196	C	C	.	.			trans	72.8	176.8	-172.8	0	0	0	0	0	113.2	E256 F257 L263	E256-G259 PolarHBondContact O-N 3.18Å; E256-G259 VanDerWaalsContact O-N 3.14Å; F257-G259 PolarHBondContact O-N 3.16Å; G259-L263 WeakPolarHBondContact O-CD1 3.42Å
260	M	81.1	Confident	93.3	Very high	57 Å²	57	36.6 Å²	36.6	28%	0.281	22%	0.22	S	C	.	.	S	Bend	trans	-118.4	-41.4	179.2	-176	-173.3	-79.7	0	0	112.4	F333 Y338	M260-F333 HydrophobicContact CG-CE2 4.25Å; M260-F333 HydrophobicContact CG-CZ 4.09Å; M260-F333 HydrophobicContact SD-CE2 4.44Å; M260-F333 HydrophobicContact SD-CZ 4.33Å; M260-Y338 HydrophobicContact CG-CE2 4.1Å
261	A	76.4	Confident	93.2	Very high	101 Å²	101	42.1 Å²	42.1	84%	0.835	24%	0.241	S	C	*	.	S	Bend	trans	-76.4	-46.4	-179.2	0	0	0	0	0	112.4
262	E	81.7	Confident	93.1	Very high	176 Å²	176	47.9 Å²	47.9	82%	0.822	27%	0.268	S	S	*	.	S	Bend	trans	-115.4	75.3	174.6	-66	-179	-177.5	0	0	108.1	D264	E262-D264 PolarHBondContact O-N 2.76Å
263	L	88.3	Confident	93.1	Very high	47 Å²	47	50.1 Å²	50.1	25%	0.246	28%	0.279	C	S	.	.			trans	-66.6	116.4	-173.8	-175.3	72.6	0	0	0	111.4	A258 G259 Y265 L341	A258-L263 HydrophobicContact CB-CD1 3.74Å; A258-L263 CarbonylContact O-C 3.58Å; A258-L263 WeakPolarHBondContact O-CA 3.31Å; G259-L263 WeakPolarHBondContact O-CD1 3.42Å; L263-Y265 HydrophobicContact CD1-CD1 4.5Å; L263-Y265 HydrophobicContact CD1-CE1 4Å; L263-Y265 HydrophobicContact CD2-CD2 4.41Å; L263-Y265 HydrophobicContact CD2-CE1 4.43Å; L263-Y265 HydrophobicContact CD2-CE2 3.66Å; L263-Y265 HydrophobicContact CG-CE1 4.45Å; L263-Y265 HydrophobicContact CG-CE2 4.19Å; L263-L341 HydrophobicContact CD2-CB 3.78Å; L263-L341 HydrophobicContact CD2-CD1 3.74Å; L263-L341 HydrophobicContact CD2-CD2 4.34Å; L263-L341 HydrophobicContact CD2-CG 4.16Å
264	D	92.6	Very high	93.1	Very high	81 Å²	81	50.4 Å²	50.4	43%	0.433	28%	0.28	S	S	.	.			trans	-131.8	98.3	174.5	-178.8	6.6	0	0	0	111.2	A258 E262 G266 L267	A258-D264 VanDerWaalsContact CA-O 3.27Å; A258-D264 WeakPolarHBondContact CA-O 3.37Å; A258-D264 WeakPolarHBondContact CB-O 3.4Å; A258-D264 PolarHBondContact O-N 3.46Å; E262-D264 PolarHBondContact O-N 2.76Å; D264-G266 PolarHBondContact O-N 3.14Å; D264-G266 VanDerWaalsContact O-N 3.15Å; D264-G266 WeakPolarHBondContact OD1-CA 3.26Å; D264-G266 PolarHBondContact OD1-N 3.34Å; D264-L267 HydrophobicContact CB-CD1 3.98Å; D264-L267 HydrophobicContact CB-CG 3.97Å; D264-L267 WeakPolarHBondContact O-CB 3.31Å; D264-L267 PolarHBondContact O-N 3.22Å
265	Y	93.4	Very high	93.1	Very high	43 Å²	43	51 Å²	51	17%	0.169	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-65.8	-12.7	176.6	-68.1	-58.3	0	0	0	113.9	A258 L263 L267 Y268 H315 L341 Q345	A258-Y265 HydrophobicContact CB-CD1 3.76Å; A258-Y265 HydrophobicContact CB-CE1 4.21Å; L263-Y265 HydrophobicContact CD1-CD1 4.5Å; L263-Y265 HydrophobicContact CD1-CE1 4Å; L263-Y265 HydrophobicContact CD2-CD2 4.41Å; L263-Y265 HydrophobicContact CD2-CE1 4.43Å; L263-Y265 HydrophobicContact CD2-CE2 3.66Å; L263-Y265 HydrophobicContact CG-CE1 4.45Å; L263-Y265 HydrophobicContact CG-CE2 4.19Å; Y265-L267 PolarHBondContact O-N 2.9Å; Y265-Y268 WeakPolarHBondContact O-CB 3.29Å; Y265-Y268 PolarHBondContact O-N 3.45Å; Y265-H315 AromaticContact CE1-CE1 3.84Å; Y265-L341 PolarHBondContact OH-O 2.85Å; Y265-L341 VanDerWaalsContact OH-O 3.05Å; Y265-Q345 HydrophobicContact CD1-CG 3.79Å; Y265-Q345 HydrophobicContact CD2-CB 4.17Å; Y265-Q345 HydrophobicContact CD2-CG 3.98Å; Y265-Q345 HydrophobicContact CE1-CB 4.05Å; Y265-Q345 HydrophobicContact CE1-CG 3.63Å; Y265-Q345 HydrophobicContact CE2-CB 3.57Å; Y265-Q345 HydrophobicContact CE2-CG 3.8Å; Y265-Q345 HydrophobicContact CG-CG 3.96Å; Y265-Q345 VanDerWaalsContact CZ-CB 3.48Å
266	G	93.8	Very high	93.1	Very high	69 Å²	69	54.4 Å²	54.4	71%	0.711	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-65.3	-17.2	169.2	0	0	0	0	0	113.4	D264	D264-G266 PolarHBondContact O-N 3.14Å; D264-G266 VanDerWaalsContact O-N 3.15Å; D264-G266 WeakPolarHBondContact OD1-CA 3.26Å; D264-G266 PolarHBondContact OD1-N 3.34Å
267	L	95.2	Very high	93.2	Very high	44 Å²	44	54.2 Å²	54.2	23%	0.23	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-84.4	-5.6	176.7	-58.6	179.3	0	0	0	114.1	F257 D264 Y265	F257-L267 WeakPolarHBondContact CB-O 3.3Å; F257-L267 WeakPolarHBondContact O-CB 3.35Å; D264-L267 HydrophobicContact CB-CD1 3.98Å; D264-L267 HydrophobicContact CB-CG 3.97Å; D264-L267 WeakPolarHBondContact O-CB 3.31Å; D264-L267 PolarHBondContact O-N 3.22Å; Y265-L267 PolarHBondContact O-N 2.9Å
268	Y	96.2	Very high	93.4	Very high	54 Å²	54	54.1 Å²	54.1	21%	0.212	30%	0.3	C	S	.	.	S	Bend	trans	-54.3	134.9	175.6	-171.7	-94.2	0	0	0	110.5	F254 N255 Y265 S270 Q274 N308	F254-Y268 HydrophobicContact CB-CD2 4.46Å; F254-Y268 HydrophobicContact CB-CE2 3.71Å; F254-Y268 WeakPolarHBondContact O-CD2 3.42Å; N255-Y268 WeakPolarHBondContact OD1-CE2 3.38Å; Y265-Y268 WeakPolarHBondContact O-CB 3.29Å; Y265-Y268 PolarHBondContact O-N 3.45Å; Y268-S270 PolarHBondContact O-N 3.23Å; Y268-Q274 VanDerWaalsContact CE1-NE2 3.3Å; Y268-N308 PolarHBondContact OH-OD1 2.88Å; Y268-N308 VanDerWaalsContact OH-OD1 3.09Å
269	P	97.1	Very high	93.6	Very high	4 Å²	4	58.9 Å²	58.9	3%	0.026	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-62.4	133.6	-169.4	23.7	-34.1	0	0	0	111.6	F254 F257 M273 Q274	F254-P269 HydrophobicContact CB-CG 3.76Å; F254-P269 HydrophobicContact CD1-CG 3.9Å; F254-P269 HydrophobicContact CD2-CG 4.1Å; F254-P269 HydrophobicContact CG-CG 3.67Å; F257-P269 HydrophobicContact CD2-CB 4.17Å; F257-P269 HydrophobicContact CD2-CG 4.26Å; F257-P269 HydrophobicContact CE2-CB 4.03Å; F257-P269 HydrophobicContact CE2-CG 4.32Å; F257-P269 HydrophobicContact CG-CG 4.48Å; P269-M273 HydrophobicContact CB-CB 4.27Å; P269-M273 HydrophobicContact CB-CG 4.04Å; P269-M273 HydrophobicContact CB-SD 3.82Å; P269-Q274 HydrophobicContact CB-CG 3.87Å; P269-Q274 HydrophobicContact CG-CG 3.78Å; P269-Q274 PolarHBondContact O-NE2 3.37Å
270	S	97.1	Very high	94	Very high	71 Å²	71	60.7 Å²	60.7	50%	0.497	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-60	159.3	175	72.4	0	0	0	0	111.4	Y268 Q272 M273 Q274	Y268-S270 PolarHBondContact O-N 3.23Å; S270-Q272 PolarHBondContact O-N 3.02Å; S270-M273 PolarHBondContact O-N 3.47Å; S270-M273 VanDerWaalsContact O-N 3.09Å; S270-M273 PolarHBondContact OG-N 3.29Å; S270-Q274 WeakPolarHBondContact O-CG 3.3Å; S270-Q274 PolarHBondContact O-N 2.91Å
271	R	97.4	Very high	94.9	Very high	117 Å²	117	58 Å²	58	44%	0.442	31%	0.313	S	S	.	.	H	α-helix	trans	-51.7	-43.2	176.1	-178.4	172.5	-171.4	-80.9	-1.4	112.2	Q274 M275 E301 Y304	R271-Q274 PolarHBondContact O-N 2.83Å; R271-M275 HydrophobicContact CG-CG 4.18Å; R271-M275 WeakPolarHBondContact O-CB 3.45Å; R271-M275 WeakPolarHBondContact O-CG 3.19Å; R271-M275 PolarHBondContact O-N 2.85Å; R271-E301 IonicContact CZ-OE1 3.92Å; R271-E301 IonicContact CZ-OE2 3.01Å; R271-E301 IonicContact NH2-OE1 3.99Å; R271-E301 PolarHBondContact NH2-OE1 3.09Å; R271-E301 IonicContact NH2-OE2 3.39Å; R271-E301 PolarHBondContact NH2-OE2 3.33Å; R271-Y304 HydrophobicContact CB-CE2 4.35Å; R271-Y304 HydrophobicContact CG-CE1 4.43Å; R271-Y304 HydrophobicContact CG-CE2 3.81Å
272	Q	97.5	Very high	96	Very high	121 Å²	121	53.9 Å²	53.9	57%	0.565	28%	0.277	S	S	*	.	H	α-helix	trans	-60.3	-49.1	179.2	-177.8	57.6	51.8	0	0	111.4	S270 Q274 M275 D276	S270-Q272 PolarHBondContact O-N 3.02Å; Q272-Q274 PolarHBondContact O-N 3.04Å; Q272-M275 PolarHBondContact O-N 3.39Å; Q272-D276 VanDerWaalsContact NE2-CG 3.33Å; Q272-D276 PolarHBondContact NE2-OD1 3.1Å; Q272-D276 VanDerWaalsContact NE2-OD1 3.12Å; Q272-D276 PolarHBondContact NE2-OD2 2.65Å; Q272-D276 PolarHBondContact O-N 3.35Å
273	M	97.8	Very high	96.8	Very high	47 Å²	47	49.6 Å²	49.6	23%	0.232	26%	0.257	C	S	.	.	H	α-helix	trans	-62.3	-42.1	178.5	-179.9	175.4	-81.3	0	0	112	I135 F257 P269 S270 D276 W277	I135-M273 HydrophobicContact CD1-CG 4.32Å; F257-M273 HydrophobicContact CE2-SD 3.95Å; P269-M273 HydrophobicContact CB-CB 4.27Å; P269-M273 HydrophobicContact CB-CG 4.04Å; P269-M273 HydrophobicContact CB-SD 3.82Å; S270-M273 PolarHBondContact O-N 3.47Å; S270-M273 VanDerWaalsContact O-N 3.09Å; S270-M273 PolarHBondContact OG-N 3.29Å; M273-D276 PolarHBondContact O-N 3.18Å; M273-W277 WeakPolarHBondContact O-CB 3.12Å; M273-W277 PolarHBondContact O-N 2.63Å
274	Q	98.6	Very high	97.2	Very high	5 Å²	5	47.4 Å²	47.4	2%	0.023	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-46.4	174.7	-67.7	-176.8	45.8	0	0	111.2	F254 Y268 P269 S270 R271 Q272 D276 W277 L278 Y304 N308	F254-Q274 HydrophobicContact CD2-CG 3.94Å; F254-Q274 HydrophobicContact CE2-CB 4Å; F254-Q274 HydrophobicContact CE2-CG 3.63Å; F254-Q274 HydrophobicContact CZ-CB 4.39Å; F254-Q274 HydrophobicContact CZ-CG 4.22Å; Y268-Q274 VanDerWaalsContact CE1-NE2 3.3Å; P269-Q274 HydrophobicContact CB-CG 3.87Å; P269-Q274 HydrophobicContact CG-CG 3.78Å; P269-Q274 PolarHBondContact O-NE2 3.37Å; S270-Q274 WeakPolarHBondContact O-CG 3.3Å; S270-Q274 PolarHBondContact O-N 2.91Å; R271-Q274 PolarHBondContact O-N 2.83Å; Q272-Q274 PolarHBondContact O-N 3.04Å; Q274-D276 VanDerWaalsContact C-N 3.32Å; Q274-D276 PolarHBondContact O-N 3.25Å; Q274-W277 PolarHBondContact O-N 2.71Å; Q274-L278 VanDerWaalsContact O-CB 3.3Å; Q274-L278 WeakPolarHBondContact O-CB 3.49Å; Q274-L278 WeakPolarHBondContact O-CG 3.23Å; Q274-L278 PolarHBondContact O-N 2.79Å; Q274-Y304 HydrophobicContact CB-CD2 4.2Å; Q274-Y304 HydrophobicContact CB-CE2 4.21Å; Q274-Y304 VanDerWaalsContact OE1-CE2 3.31Å; Q274-N308 PolarHBondContact NE2-OD1 2.91Å; Q274-N308 PolarHBondContact OE1-ND2 3.01Å; Q274-N308 PolarHBondContact OE1-OD1 3.19Å
275	M	98.4	Very high	97.5	Very high	13 Å²	13	45.8 Å²	45.8	6%	0.064	23%	0.234	C	C	.	.	H	α-helix	trans	-61.9	-40.5	180	-68.5	-66.2	-76.8	0	0	112	R271 Q272 K279 L300 E301 Y304	R271-M275 HydrophobicContact CG-CG 4.18Å; R271-M275 WeakPolarHBondContact O-CB 3.45Å; R271-M275 WeakPolarHBondContact O-CG 3.19Å; R271-M275 PolarHBondContact O-N 2.85Å; Q272-M275 PolarHBondContact O-N 3.39Å; M275-K279 VanDerWaalsContact O-CB 3.26Å; M275-K279 WeakPolarHBondContact O-CB 3.42Å; M275-K279 PolarHBondContact O-N 3.07Å; M275-L300 HydrophobicContact CE-CD2 3.6Å; M275-L300 HydrophobicContact CE-CG 3.58Å; M275-L300 HydrophobicContact SD-CG 4.13Å; M275-E301 HydrophobicContact CE-CG 4.29Å; M275-E301 WeakPolarHBondContact CE-OE1 3.25Å; M275-Y304 HydrophobicContact SD-CD2 4.03Å; M275-Y304 HydrophobicContact SD-CG 3.93Å
276	D	97.9	Very high	97.7	Very high	77 Å²	77	44.3 Å²	44.3	41%	0.412	23%	0.228	S	C	.	.	H	α-helix	trans	-65.6	-44.3	176	-66.6	-31.6	0	0	0	111.4	Q272 M273 Q274 K279 E280	Q272-D276 VanDerWaalsContact NE2-CG 3.33Å; Q272-D276 PolarHBondContact NE2-OD1 3.1Å; Q272-D276 VanDerWaalsContact NE2-OD1 3.12Å; Q272-D276 PolarHBondContact NE2-OD2 2.65Å; Q272-D276 PolarHBondContact O-N 3.35Å; M273-D276 PolarHBondContact O-N 3.18Å; Q274-D276 VanDerWaalsContact C-N 3.32Å; Q274-D276 PolarHBondContact O-N 3.25Å; D276-K279 PolarHBondContact O-N 3Å; D276-E280 WeakPolarHBondContact O-CG 3.49Å; D276-E280 PolarHBondContact O-N 2.77Å; D276-E280 VanDerWaalsContact O-N 3.16Å
277	W	98.6	Very high	97.9	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-60.9	-48.8	175.9	-169.3	110.6	0	0	0	111.7	I135 I138 A139 M142 I250 F254 M273 Q274 K279 E280 Y281	I135-W277 PolarHBondContact O-NE1 3.4Å; I138-W277 HydrophobicContact CG2-CZ2 4.48Å; A139-W277 VanDerWaalsContact CA-CZ2 3.49Å; A139-W277 HydrophobicContact CB-CD2 3.81Å; A139-W277 HydrophobicContact CB-CE3 4.31Å; A139-W277 HydrophobicContact CB-CG 4.2Å; A139-W277 HydrophobicContact CB-CH2 4.31Å; A139-W277 HydrophobicContact CB-CZ2 3.89Å; M142-W277 HydrophobicContact CB-CH2 4.4Å; M142-W277 HydrophobicContact CE-CH2 4.31Å; M142-W277 HydrophobicContact CE-CZ2 4.33Å; M142-W277 HydrophobicContact SD-CH2 3.62Å; M142-W277 HydrophobicContact SD-CZ2 4.19Å; I250-W277 HydrophobicContact CB-CH2 4.46Å; I250-W277 HydrophobicContact CB-CZ3 4.34Å; I250-W277 HydrophobicContact CD1-CZ3 4.07Å; I250-W277 HydrophobicContact CG1-CH2 3.94Å; I250-W277 HydrophobicContact CG1-CZ3 3.91Å; I250-W277 HydrophobicContact CG2-CE3 4.05Å; I250-W277 HydrophobicContact CG2-CH2 3.89Å; I250-W277 HydrophobicContact CG2-CZ3 3.49Å; I250-W277 VanDerWaalsContact CG2-CZ3 3.49Å; F254-W277 HydrophobicContact CE1-CB 4.38Å; F254-W277 AromaticContact CE1-CD2 3.72Å; F254-W277 HydrophobicContact CE1-CD2 3.72Å; F254-W277 HydrophobicContact CE1-CE3 4.09Å; F254-W277 AromaticContact CE1-CG 3.82Å; F254-W277 HydrophobicContact CE1-CG 3.82Å; F254-W277 HydrophobicContact CZ-CB 4.18Å; F254-W277 AromaticContact CZ-CD2 3.82Å; F254-W277 HydrophobicContact CZ-CD2 3.82Å; F254-W277 AromaticContact CZ-CE3 3.78Å; F254-W277 HydrophobicContact CZ-CE3 3.78Å; F254-W277 AromaticContact CZ-CG 3.97Å; F254-W277 HydrophobicContact CZ-CG 3.97Å; M273-W277 WeakPolarHBondContact O-CB 3.12Å; M273-W277 PolarHBondContact O-N 2.63Å; Q274-W277 PolarHBondContact O-N 2.71Å; W277-K279 VanDerWaalsContact C-N 3.32Å; W277-K279 PolarHBondContact O-N 2.83Å; W277-E280 PolarHBondContact O-N 2.85Å; W277-Y281 AromaticContact CH2-CD2 3.78Å; W277-Y281 HydrophobicContact CH2-CD2 3.78Å; W277-Y281 HydrophobicContact CH2-CG 4.13Å; W277-Y281 VanDerWaalsContact CZ3-CB 3.49Å; W277-Y281 AromaticContact CZ3-CD2 3.83Å; W277-Y281 HydrophobicContact CZ3-CD2 3.83Å; W277-Y281 AromaticContact CZ3-CG 3.68Å; W277-Y281 HydrophobicContact CZ3-CG 3.68Å; W277-Y281 WeakPolarHBondContact O-CB 3.46Å; W277-Y281 PolarHBondContact O-N 3.27Å
278	L	98.9	Very high	97.9	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.7	-34.8	-177.2	-67.5	171.9	0	0	0	111.7	I250 F254 Q274 L282 L300 L303 Y304 V307	I250-L278 HydrophobicContact CD1-CD2 4.34Å; I250-L278 HydrophobicContact CG2-CD2 3.88Å; F254-L278 HydrophobicContact CE2-CD2 4.44Å; F254-L278 HydrophobicContact CZ-CD2 4.36Å; F254-L278 HydrophobicContact CZ-CG 4.47Å; Q274-L278 VanDerWaalsContact O-CB 3.3Å; Q274-L278 WeakPolarHBondContact O-CB 3.49Å; Q274-L278 WeakPolarHBondContact O-CG 3.23Å; Q274-L278 PolarHBondContact O-N 2.79Å; L278-L282 WeakPolarHBondContact O-CB 3.12Å; L278-L282 VanDerWaalsContact O-CG 3.3Å; L278-L282 WeakPolarHBondContact O-CG 3.37Å; L278-L282 PolarHBondContact O-N 3.4Å; L278-L300 HydrophobicContact CB-CD1 3.59Å; L278-L303 HydrophobicContact CB-CD2 4.36Å; L278-L303 HydrophobicContact CD2-CD2 3.72Å; L278-L303 HydrophobicContact CD2-CG 3.91Å; L278-Y304 HydrophobicContact CD1-CD2 4.2Å; L278-V307 HydrophobicContact CD2-CG2 3.99Å
279	K	98.6	Very high	97.9	Very high	99 Å²	99	47.5 Å²	47.5	43%	0.43	23%	0.23	S	C	.	.	H	α-helix	trans	-64.4	-47.8	174.7	-175.6	179.4	-177.8	-180	0	111.3	M275 D276 W277 Y281 L282 Q283 L300	M275-K279 VanDerWaalsContact O-CB 3.26Å; M275-K279 WeakPolarHBondContact O-CB 3.42Å; M275-K279 PolarHBondContact O-N 3.07Å; D276-K279 PolarHBondContact O-N 3Å; W277-K279 VanDerWaalsContact C-N 3.32Å; W277-K279 PolarHBondContact O-N 2.83Å; K279-Y281 VanDerWaalsContact C-N 3.35Å; K279-L282 PolarHBondContact O-N 2.84Å; K279-Q283 WeakPolarHBondContact O-CB 3.28Å; K279-Q283 VanDerWaalsContact O-CG 3.26Å; K279-Q283 WeakPolarHBondContact O-CG 3.47Å; K279-Q283 PolarHBondContact O-N 3.42Å; K279-L300 HydrophobicContact CB-CD1 4.09Å; K279-L300 HydrophobicContact CB-CD2 4.24Å
280	E	98.6	Very high	97.8	Very high	47 Å²	47	56.4 Å²	56.4	22%	0.22	27%	0.268	C	S	.	.	H	α-helix	trans	-62.2	-43	176.7	-72.6	-77	178.1	0	0	111.5	R136 A139 D276 W277 Q283 A284	R136-E280 HydrophobicContact CG-CG 4.02Å; R136-E280 IonicContact NE-OE1 3.88Å; A139-E280 HydrophobicContact CB-CB 4.2Å; D276-E280 WeakPolarHBondContact O-CG 3.49Å; D276-E280 PolarHBondContact O-N 2.77Å; D276-E280 VanDerWaalsContact O-N 3.16Å; W277-E280 PolarHBondContact O-N 2.85Å; E280-Q283 PolarHBondContact O-N 3.17Å; E280-A284 WeakPolarHBondContact O-CB 3.49Å; E280-A284 PolarHBondContact O-N 2.97Å
281	Y	98.8	Very high	97.6	Very high	0 Å²	0	56 Å²	56	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57	-52.3	173.1	170.7	-90.9	0	0	0	111.8	A139 M142 A143 H146 Q246 I250 W277 K279 Q283 A284 Y285 L303	A139-Y281 WeakPolarHBondContact O-CD2 3.4Å; M142-Y281 HydrophobicContact CB-CD2 4.46Å; M142-Y281 HydrophobicContact CB-CE2 4.42Å; M142-Y281 HydrophobicContact CG-CE2 4.2Å; A143-Y281 VanDerWaalsContact CA-CE2 3.46Å; A143-Y281 HydrophobicContact CB-CD2 3.72Å; A143-Y281 HydrophobicContact CB-CE2 3.75Å; A143-Y281 HydrophobicContact CB-CG 4.44Å; H146-Y281 WeakPolarHBondContact CB-OH 3.47Å; H146-Y281 AromaticContact ND1-CE2 3.55Å; H146-Y281 AromaticContact ND1-CZ 3.53Å; H146-Y281 PolarHBondContact ND1-OH 3.02Å; Q246-Y281 VanDerWaalsContact CD-OH 3.24Å; Q246-Y281 HydrophobicContact CG-CE1 4.32Å; Q246-Y281 WeakPolarHBondContact CG-OH 3.25Å; Q246-Y281 PolarHBondContact NE2-OH 2.78Å; I250-Y281 HydrophobicContact CD1-CD1 4.23Å; I250-Y281 HydrophobicContact CD1-CE1 4.04Å; I250-Y281 HydrophobicContact CD1-CE2 4.36Å; W277-Y281 AromaticContact CH2-CD2 3.78Å; W277-Y281 HydrophobicContact CH2-CD2 3.78Å; W277-Y281 HydrophobicContact CH2-CG 4.13Å; W277-Y281 VanDerWaalsContact CZ3-CB 3.49Å; W277-Y281 AromaticContact CZ3-CD2 3.83Å; W277-Y281 HydrophobicContact CZ3-CD2 3.83Å; W277-Y281 AromaticContact CZ3-CG 3.68Å; W277-Y281 HydrophobicContact CZ3-CG 3.68Å; W277-Y281 WeakPolarHBondContact O-CB 3.46Å; W277-Y281 PolarHBondContact O-N 3.27Å; K279-Y281 VanDerWaalsContact C-N 3.35Å; Y281-Q283 PolarHBondContact O-N 2.8Å; Y281-A284 PolarHBondContact O-N 2.92Å; Y281-Y285 VanDerWaalsContact O-CB 3.32Å; Y281-Y285 WeakPolarHBondContact O-CB 2.93Å; Y281-Y285 PolarHBondContact O-N 3Å; Y281-L303 HydrophobicContact CD1-CD2 3.93Å; Y281-L303 HydrophobicContact CE1-CD2 4.18Å
282	L	98.7	Very high	97.3	Very high	16 Å²	16	56.9 Å²	56.9	8%	0.084	28%	0.279	C	S	.	.	H	α-helix	trans	-63.5	-40.5	-178.4	-76.8	172.2	0	0	0	111.8	L278 K279 Y285 K286 V295 E299 L300 L303	L278-L282 WeakPolarHBondContact O-CB 3.12Å; L278-L282 VanDerWaalsContact O-CG 3.3Å; L278-L282 WeakPolarHBondContact O-CG 3.37Å; L278-L282 PolarHBondContact O-N 3.4Å; K279-L282 PolarHBondContact O-N 2.84Å; L282-Y285 PolarHBondContact O-N 3.36Å; L282-K286 WeakPolarHBondContact O-CG 3.36Å; L282-K286 PolarHBondContact O-N 3.42Å; L282-V295 HydrophobicContact CB-CB 4.49Å; L282-V295 HydrophobicContact CB-CG1 3.94Å; L282-V295 HydrophobicContact CB-CG2 3.67Å; L282-V295 HydrophobicContact CD1-CG1 3.72Å; L282-V295 HydrophobicContact CG-CG1 4.49Å; L282-E299 HydrophobicContact CD1-CB 4.47Å; L282-L300 HydrophobicContact CD1-CB 4.36Å; L282-L300 HydrophobicContact CD1-CD1 4.13Å; L282-L303 HydrophobicContact CD1-CD2 4.01Å; L282-L303 HydrophobicContact CD2-CD2 3.86Å; L282-L303 HydrophobicContact CG-CD2 3.79Å
283	Q	98.5	Very high	97.1	Very high	86 Å²	86	56 Å²	56	40%	0.402	28%	0.279	S	S	.	.	H	α-helix	trans	-61.5	-46.3	175.3	-74.3	174.6	-18.7	0	0	111.5	K279 E280 Y281 L287 V295	K279-Q283 WeakPolarHBondContact O-CB 3.28Å; K279-Q283 VanDerWaalsContact O-CG 3.26Å; K279-Q283 WeakPolarHBondContact O-CG 3.47Å; K279-Q283 PolarHBondContact O-N 3.42Å; E280-Q283 PolarHBondContact O-N 3.17Å; Y281-Q283 PolarHBondContact O-N 2.8Å; Q283-L287 PolarHBondContact O-N 3.14Å; Q283-V295 HydrophobicContact CB-CG2 4.47Å; Q283-V295 HydrophobicContact CG-CG2 3.7Å
284	A	98.3	Very high	97	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-65.3	-41.2	177.1	0	0	0	0	0	112	R140 A143 E280 Y281 L287 F288	R140-A284 HydrophobicContact CB-CB 4.23Å; R140-A284 HydrophobicContact CG-CB 3.87Å; A143-A284 HydrophobicContact CB-CB 3.68Å; E280-A284 WeakPolarHBondContact O-CB 3.49Å; E280-A284 PolarHBondContact O-N 2.97Å; Y281-A284 PolarHBondContact O-N 2.92Å; A284-L287 WeakPolarHBondContact O-CB 3.39Å; A284-L287 PolarHBondContact O-N 3.28Å; A284-F288 HydrophobicContact CB-CD2 4.43Å; A284-F288 HydrophobicContact CB-CE2 4.16Å; A284-F288 WeakPolarHBondContact O-CD2 3.24Å; A284-F288 PolarHBondContact O-N 3.36Å
285	Y	98.3	Very high	96.9	Very high	47 Å²	47	63.7 Å²	63.7	18%	0.184	32%	0.316	C	S	.	.	H	α-helix	trans	-62.5	-45.8	178.5	-175.1	-96.3	0	0	0	111.2	H146 A147 Y281 L282 L287 F288 T289	H146-Y285 HydrophobicContact CB-CD2 4.14Å; H146-Y285 HydrophobicContact CB-CE2 3.98Å; A147-Y285 HydrophobicContact CB-CD2 4.32Å; A147-Y285 HydrophobicContact CB-CE2 4.25Å; Y281-Y285 VanDerWaalsContact O-CB 3.32Å; Y281-Y285 WeakPolarHBondContact O-CB 2.93Å; Y281-Y285 PolarHBondContact O-N 3Å; L282-Y285 PolarHBondContact O-N 3.36Å; Y285-L287 VanDerWaalsContact C-N 3.31Å; Y285-L287 PolarHBondContact O-N 2.83Å; Y285-F288 PolarHBondContact O-N 3.2Å; Y285-T289 HydrophobicContact CD1-CG2 4.26Å; Y285-T289 HydrophobicContact CE1-CG2 3.88Å; Y285-T289 HydrophobicContact CE2-CG2 4.16Å; Y285-T289 WeakPolarHBondContact O-CB 3.22Å; Y285-T289 WeakPolarHBondContact O-CG2 3.17Å; Y285-T289 PolarHBondContact O-N 3.45Å; Y285-T289 PolarHBondContact O-OG1 2.93Å
286	K	97.6	Very high	96.9	Very high	13 Å²	13	65.5 Å²	65.5	6%	0.057	33%	0.33	C	S	.	.	H	α-helix	trans	-60	-41.7	174.1	-71.4	-167.2	-173.6	-161.3	0	111.5	L282 T289 K290 N291 D293 Q294 V295 E299	L282-K286 WeakPolarHBondContact O-CG 3.36Å; L282-K286 PolarHBondContact O-N 3.42Å; K286-T289 WeakPolarHBondContact CA-OG1 3.48Å; K286-T289 CarbonylContact O-C 3.56Å; K286-T289 PolarHBondContact O-N 2.98Å; K286-T289 PolarHBondContact O-OG1 3.39Å; K286-K290 PolarHBondContact O-N 2.83Å; K286-N291 CarbonylContact C-O 3.54Å; K286-N291 HydrophobicContact CB-CB 4.08Å; K286-N291 HydrophobicContact CG-CB 4.2Å; K286-N291 PolarHBondContact O-N 2.96Å; K286-D293 WeakPolarHBondContact CD-O 3.49Å; K286-Q294 PolarHBondContact NZ-O 2.93Å; K286-V295 HydrophobicContact CD-CG2 4.28Å; K286-E299 WeakPolarHBondContact CE-OE1 3.48Å; K286-E299 VanDerWaalsContact NZ-CD 3.32Å; K286-E299 IonicContact NZ-OE1 2.97Å; K286-E299 PolarHBondContact NZ-OE1 3.36Å; K286-E299 IonicContact NZ-OE2 3.42Å; K286-E299 PolarHBondContact NZ-OE2 2.68Å
287	L	97.1	Very high	96.9	Very high	108 Å²	108	67.4 Å²	67.4	57%	0.565	34%	0.336	S	S	*	.	H	α-helix	trans	-59.3	-50.9	174.7	178.4	66.7	0	0	0	112.5	Q283 A284 Y285 T289 K290	Q283-L287 PolarHBondContact O-N 3.14Å; A284-L287 WeakPolarHBondContact O-CB 3.39Å; A284-L287 PolarHBondContact O-N 3.28Å; Y285-L287 VanDerWaalsContact C-N 3.31Å; Y285-L287 PolarHBondContact O-N 2.83Å; L287-T289 VanDerWaalsContact C-N 3.29Å; L287-T289 PolarHBondContact O-N 3.16Å; L287-K290 PolarHBondContact O-N 3.12Å; L287-K290 VanDerWaalsContact O-N 3.15Å
288	F	96.6	Very high	96.8	Very high	82 Å²	82	73.8 Å²	73.8	36%	0.36	36%	0.361	S	S	.	.	H	α-helix	trans	-67.4	-30	-178.9	-69.1	-57.7	0	0	0	113.2	R140 A143 R144 A147 A284 Y285 K290	R140-F288 WeakPolarHBondContact O-CE2 3.23Å; A143-F288 HydrophobicContact CB-CD2 4.32Å; A143-F288 HydrophobicContact CB-CE2 4.48Å; R144-F288 HydrophobicContact CB-CD2 4.01Å; R144-F288 HydrophobicContact CB-CE1 4.29Å; R144-F288 HydrophobicContact CB-CE2 3.58Å; R144-F288 HydrophobicContact CB-CZ 3.73Å; R144-F288 HydrophobicContact CG-CD1 4.34Å; R144-F288 HydrophobicContact CG-CE1 3.98Å; R144-F288 HydrophobicContact CG-CE2 4.18Å; R144-F288 HydrophobicContact CG-CZ 3.9Å; A147-F288 HydrophobicContact CB-CB 3.53Å; A147-F288 HydrophobicContact CB-CG 4.49Å; A284-F288 HydrophobicContact CB-CD2 4.43Å; A284-F288 HydrophobicContact CB-CE2 4.16Å; A284-F288 WeakPolarHBondContact O-CD2 3.24Å; A284-F288 PolarHBondContact O-N 3.36Å; Y285-F288 PolarHBondContact O-N 3.2Å; F288-K290 VanDerWaalsContact C-N 3.31Å
289	T	94.8	Very high	96.7	Very high	44 Å²	44	77.3 Å²	77.3	27%	0.27	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	3.4	175.9	58.3	0	0	0	0	113.6	A147 Y285 K286 L287 N291	A147-T289 HydrophobicContact CB-CG2 3.84Å; Y285-T289 HydrophobicContact CD1-CG2 4.26Å; Y285-T289 HydrophobicContact CE1-CG2 3.88Å; Y285-T289 HydrophobicContact CE2-CG2 4.16Å; Y285-T289 WeakPolarHBondContact O-CB 3.22Å; Y285-T289 WeakPolarHBondContact O-CG2 3.17Å; Y285-T289 PolarHBondContact O-N 3.45Å; Y285-T289 PolarHBondContact O-OG1 2.93Å; K286-T289 WeakPolarHBondContact CA-OG1 3.48Å; K286-T289 CarbonylContact O-C 3.56Å; K286-T289 PolarHBondContact O-N 2.98Å; K286-T289 PolarHBondContact O-OG1 3.39Å; L287-T289 VanDerWaalsContact C-N 3.29Å; L287-T289 PolarHBondContact O-N 3.16Å; T289-N291 PolarHBondContact O-N 3.46Å
290	K	95	Very high	96.7	Very high	190 Å²	190	73.1 Å²	73.1	83%	0.826	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	27.7	-177.4	-53.4	178.6	-178.1	176.8	0	113.6	K286 L287 F288	K286-K290 PolarHBondContact O-N 2.83Å; L287-K290 PolarHBondContact O-N 3.12Å; L287-K290 VanDerWaalsContact O-N 3.15Å; F288-K290 VanDerWaalsContact C-N 3.31Å
291	N	93.1	Very high	96.7	Very high	64 Å²	64	72.7 Å²	72.7	34%	0.342	36%	0.357	S	S	.	.			trans	-82.6	123.3	169	-174.1	-26.6	0	0	0	109	K286 T289 D293	K286-N291 CarbonylContact C-O 3.54Å; K286-N291 HydrophobicContact CB-CB 4.08Å; K286-N291 HydrophobicContact CG-CB 4.2Å; K286-N291 PolarHBondContact O-N 2.96Å; T289-N291 PolarHBondContact O-N 3.46Å; N291-D293 WeakPolarHBondContact OD1-CB 3.49Å; N291-D293 PolarHBondContact OD1-N 3.36Å; N291-D293 PolarHBondContact OD1-OD2 3.35Å
292	T	91	Very high	96.7	Very high	135 Å²	135	73.9 Å²	73.9	83%	0.828	37%	0.365	S	S	*	.			trans	-90.4	-4.2	-177.9	52.7	0	0	0	0	114.3
293	D	94.5	Very high	96.7	Very high	103 Å²	103	73.3 Å²	73.3	55%	0.551	36%	0.362	S	S	*	.			trans	-68.3	143.9	-179.4	-61.2	-25.3	0	0	0	110.8	K286 N291	K286-D293 WeakPolarHBondContact CD-O 3.49Å; N291-D293 WeakPolarHBondContact OD1-CB 3.49Å; N291-D293 PolarHBondContact OD1-N 3.36Å; N291-D293 PolarHBondContact OD1-OD2 3.35Å
294	Q	95.2	Very high	96.7	Very high	179 Å²	179	70.3 Å²	70.3	84%	0.836	35%	0.347	S	S	*	.			trans	-69.4	153.3	170.9	-64.5	-173.6	3.1	0	0	110.6	K286 S296	K286-Q294 PolarHBondContact NZ-O 2.93Å; Q294-S296 PolarHBondContact O-N 3.23Å
295	V	97.4	Very high	96.7	Very high	33 Å²	33	70.5 Å²	70.5	20%	0.2	35%	0.348	C	S	.	.			trans	-71.1	115.7	171.7	178.6	0	0	0	0	108.5	L282 Q283 K286 L300	L282-V295 HydrophobicContact CB-CB 4.49Å; L282-V295 HydrophobicContact CB-CG1 3.94Å; L282-V295 HydrophobicContact CB-CG2 3.67Å; L282-V295 HydrophobicContact CD1-CG1 3.72Å; L282-V295 HydrophobicContact CG-CG1 4.49Å; Q283-V295 HydrophobicContact CB-CG2 4.47Å; Q283-V295 HydrophobicContact CG-CG2 3.7Å; K286-V295 HydrophobicContact CD-CG2 4.28Å; V295-L300 HydrophobicContact CG1-CB 4.41Å
296	S	97.3	Very high	96.8	Very high	51 Å²	51	68.9 Å²	68.9	36%	0.357	34%	0.342	S	S	.	.			trans	-78.7	154.9	175.9	67.8	0	0	0	0	111.3	Q294 R298 E299 L300	Q294-S296 PolarHBondContact O-N 3.23Å; S296-R298 PolarHBondContact O-N 3.08Å; S296-E299 WeakPolarHBondContact CB-OE2 3.36Å; S296-E299 PolarHBondContact N-OE2 2.77Å; S296-E299 PolarHBondContact O-N 3.28Å; S296-E299 WeakPolarHBondContact OG-CB 3.4Å; S296-E299 WeakPolarHBondContact OG-CG 3.42Å; S296-E299 PolarHBondContact OG-N 3.46Å; S296-E299 VanDerWaalsContact OG-N 3.17Å; S296-E299 PolarHBondContact OG-OE2 3.44Å; S296-L300 PolarHBondContact O-N 3.25Å; S296-L300 VanDerWaalsContact O-N 3.17Å
297	Q	97.3	Very high	96.8	Very high	117 Å²	117	68.3 Å²	68.3	55%	0.547	34%	0.339	S	S	.	.	H	α-helix	trans	-60.9	-35.7	174.7	-171	62.5	26.1	0	0	111.6	L300 E301	Q297-L300 PolarHBondContact O-N 2.97Å; Q297-E301 HydrophobicContact CG-CG 4.22Å; Q297-E301 PolarHBondContact NE2-OE1 3.38Å; Q297-E301 WeakPolarHBondContact O-CB 3.4Å; Q297-E301 WeakPolarHBondContact O-CG 2.83Å; Q297-E301 PolarHBondContact O-N 3Å
298	R	97.4	Very high	96.9	Very high	136 Å²	136	63.6 Å²	63.6	51%	0.513	32%	0.315	S	S	.	.	H	α-helix	trans	-63.2	-47.1	178.3	-176.9	-179.6	175	144.5	8	111.8	S296 L300 T302 P359 E360	S296-R298 PolarHBondContact O-N 3.08Å; R298-L300 VanDerWaalsContact C-N 3.31Å; R298-L300 PolarHBondContact O-N 3.35Å; R298-T302 VanDerWaalsContact O-CB 3.23Å; R298-T302 WeakPolarHBondContact O-CB 3.28Å; R298-T302 PolarHBondContact O-N 2.83Å; R298-T302 PolarHBondContact O-OG1 3.4Å; R298-P359 HydrophobicContact CG-CG 4.12Å; R298-E360 VanDerWaalsContact CZ-C 3.41Å; R298-E360 VanDerWaalsContact CZ-O 3.27Å; R298-E360 PolarHBondContact NH1-O 2.78Å; R298-E360 PolarHBondContact NH1-OXT 3.2Å; R298-E360 VanDerWaalsContact NH2-C 3.31Å; R298-E360 PolarHBondContact NH2-OXT 3.35Å
299	E	97.4	Very high	97	Very high	73 Å²	73	60 Å²	60	34%	0.341	30%	0.299	S	S	.	.	H	α-helix	trans	-58.8	-44.8	176.2	-75	165.6	124.6	0	0	111.2	L282 K286 S296 T302 L303	L282-E299 HydrophobicContact CD1-CB 4.47Å; K286-E299 WeakPolarHBondContact CE-OE1 3.48Å; K286-E299 VanDerWaalsContact NZ-CD 3.32Å; K286-E299 IonicContact NZ-OE1 2.97Å; K286-E299 PolarHBondContact NZ-OE1 3.36Å; K286-E299 IonicContact NZ-OE2 3.42Å; K286-E299 PolarHBondContact NZ-OE2 2.68Å; S296-E299 WeakPolarHBondContact CB-OE2 3.36Å; S296-E299 PolarHBondContact N-OE2 2.77Å; S296-E299 PolarHBondContact O-N 3.28Å; S296-E299 WeakPolarHBondContact OG-CB 3.4Å; S296-E299 WeakPolarHBondContact OG-CG 3.42Å; S296-E299 PolarHBondContact OG-N 3.46Å; S296-E299 VanDerWaalsContact OG-N 3.17Å; S296-E299 PolarHBondContact OG-OE2 3.44Å; E299-T302 PolarHBondContact O-N 3.49Å; E299-L303 WeakPolarHBondContact O-CB 3.42Å; E299-L303 PolarHBondContact O-N 3.23Å
300	L	98.4	Very high	97.2	Very high	11 Å²	11	57.9 Å²	57.9	6%	0.058	29%	0.286	C	S	.	.	H	α-helix	trans	-63.1	-50	-179.3	-178	59.8	0	0	0	112.3	M275 L278 K279 L282 V295 S296 Q297 R298 T302 L303 Y304	M275-L300 HydrophobicContact CE-CD2 3.6Å; M275-L300 HydrophobicContact CE-CG 3.58Å; M275-L300 HydrophobicContact SD-CG 4.13Å; L278-L300 HydrophobicContact CB-CD1 3.59Å; K279-L300 HydrophobicContact CB-CD1 4.09Å; K279-L300 HydrophobicContact CB-CD2 4.24Å; L282-L300 HydrophobicContact CD1-CB 4.36Å; L282-L300 HydrophobicContact CD1-CD1 4.13Å; V295-L300 HydrophobicContact CG1-CB 4.41Å; S296-L300 PolarHBondContact O-N 3.25Å; S296-L300 VanDerWaalsContact O-N 3.17Å; Q297-L300 PolarHBondContact O-N 2.97Å; R298-L300 VanDerWaalsContact C-N 3.31Å; R298-L300 PolarHBondContact O-N 3.35Å; L300-T302 VanDerWaalsContact C-N 3.35Å; L300-L303 PolarHBondContact O-N 3.1Å; L300-Y304 PolarHBondContact O-N 3Å
301	E	98.4	Very high	97.3	Very high	38 Å²	38	48.9 Å²	48.9	18%	0.178	25%	0.247	C	C	.	.	H	α-helix	trans	-65.7	-37.6	177.9	-69.2	-69	170	0	0	111.9	R271 M275 Q297 Y304 V305 P359	R271-E301 IonicContact CZ-OE1 3.92Å; R271-E301 IonicContact CZ-OE2 3.01Å; R271-E301 IonicContact NH2-OE1 3.99Å; R271-E301 PolarHBondContact NH2-OE1 3.09Å; R271-E301 IonicContact NH2-OE2 3.39Å; R271-E301 PolarHBondContact NH2-OE2 3.33Å; M275-E301 HydrophobicContact CE-CG 4.29Å; M275-E301 WeakPolarHBondContact CE-OE1 3.25Å; Q297-E301 HydrophobicContact CG-CG 4.22Å; Q297-E301 PolarHBondContact NE2-OE1 3.38Å; Q297-E301 WeakPolarHBondContact O-CB 3.4Å; Q297-E301 WeakPolarHBondContact O-CG 2.83Å; Q297-E301 PolarHBondContact O-N 3Å; E301-Y304 WeakPolarHBondContact O-CB 3.49Å; E301-Y304 PolarHBondContact O-N 3.42Å; E301-V305 VanDerWaalsContact O-CG2 3.28Å; E301-V305 WeakPolarHBondContact O-CG2 3.32Å; E301-V305 PolarHBondContact O-N 3.49Å; E301-P359 HydrophobicContact CB-CG 3.88Å
302	T	98.6	Very high	97.6	Very high	26 Å²	26	45.8 Å²	45.8	16%	0.16	23%	0.231	C	C	.	.	H	α-helix	trans	-60.7	-48.1	174.8	-60.2	0	0	0	0	110.6	R298 E299 L300 Y304 V305 Q306 I358	R298-T302 VanDerWaalsContact O-CB 3.23Å; R298-T302 WeakPolarHBondContact O-CB 3.28Å; R298-T302 PolarHBondContact O-N 2.83Å; R298-T302 PolarHBondContact O-OG1 3.4Å; E299-T302 PolarHBondContact O-N 3.49Å; L300-T302 VanDerWaalsContact C-N 3.35Å; T302-Y304 VanDerWaalsContact C-N 3.34Å; T302-Y304 PolarHBondContact O-N 3.18Å; T302-V305 PolarHBondContact O-N 3.27Å; T302-Q306 HydrophobicContact CG2-CG 4.44Å; T302-Q306 VanDerWaalsContact O-CG 3.29Å; T302-Q306 WeakPolarHBondContact O-CG 3.44Å; T302-Q306 PolarHBondContact O-N 2.7Å; T302-I358 HydrophobicContact CG2-CD1 4.4Å; T302-I358 HydrophobicContact CG2-CG2 3.97Å
303	L	98.8	Very high	97.9	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-64.2	-40.1	178.1	-175.7	62.3	0	0	0	111.3	I250 L278 Y281 L282 E299 L300 V305 Q306 V307	I250-L303 HydrophobicContact CD1-CD1 4.25Å; I250-L303 HydrophobicContact CD1-CD2 4.35Å; L278-L303 HydrophobicContact CB-CD2 4.36Å; L278-L303 HydrophobicContact CD2-CD2 3.72Å; L278-L303 HydrophobicContact CD2-CG 3.91Å; Y281-L303 HydrophobicContact CD1-CD2 3.93Å; Y281-L303 HydrophobicContact CE1-CD2 4.18Å; L282-L303 HydrophobicContact CD1-CD2 4.01Å; L282-L303 HydrophobicContact CD2-CD2 3.86Å; L282-L303 HydrophobicContact CG-CD2 3.79Å; E299-L303 WeakPolarHBondContact O-CB 3.42Å; E299-L303 PolarHBondContact O-N 3.23Å; L300-L303 PolarHBondContact O-N 3.1Å; L303-V305 VanDerWaalsContact C-N 3.33Å; L303-V305 PolarHBondContact O-N 3.39Å; L303-Q306 PolarHBondContact O-N 3.05Å; L303-V307 HydrophobicContact CD1-CG2 3.81Å; L303-V307 HydrophobicContact CG-CG2 4Å; L303-V307 VanDerWaalsContact O-CB 3.31Å; L303-V307 WeakPolarHBondContact O-CB 3.48Å; L303-V307 WeakPolarHBondContact O-CG2 3.4Å; L303-V307 PolarHBondContact O-N 3.28Å
304	Y	98.8	Very high	98.1	Very high	23 Å²	23	34.5 Å²	34.5	9%	0.09	17%	0.165	C	C	.	.	H	α-helix	trans	-55.7	-47	174.5	171.6	-101.4	0	0	0	112	R271 Q274 M275 L278 L300 E301 T302 N308 L356	R271-Y304 HydrophobicContact CB-CE2 4.35Å; R271-Y304 HydrophobicContact CG-CE1 4.43Å; R271-Y304 HydrophobicContact CG-CE2 3.81Å; Q274-Y304 HydrophobicContact CB-CD2 4.2Å; Q274-Y304 HydrophobicContact CB-CE2 4.21Å; Q274-Y304 VanDerWaalsContact OE1-CE2 3.31Å; M275-Y304 HydrophobicContact SD-CD2 4.03Å; M275-Y304 HydrophobicContact SD-CG 3.93Å; L278-Y304 HydrophobicContact CD1-CD2 4.2Å; L300-Y304 PolarHBondContact O-N 3Å; E301-Y304 WeakPolarHBondContact O-CB 3.49Å; E301-Y304 PolarHBondContact O-N 3.42Å; T302-Y304 VanDerWaalsContact C-N 3.34Å; T302-Y304 PolarHBondContact O-N 3.18Å; Y304-N308 WeakPolarHBondContact CD2-ND2 3.34Å; Y304-N308 WeakPolarHBondContact CE2-ND2 3.34Å; Y304-N308 PolarHBondContact O-N 3.14Å; Y304-N308 VanDerWaalsContact O-N 3.15Å; Y304-N308 PolarHBondContact O-ND2 3.46Å; Y304-L356 HydrophobicContact CE1-CD1 4.14Å; Y304-L356 HydrophobicContact CE1-CD2 4.08Å
305	V	98.7	Very high	98.2	Very high	4 Å²	4	26 Å²	26	2%	0.024	13%	0.125	C	C	.	.	H	α-helix	trans	-64	-48	177.4	176.5	0	0	0	0	110.6	E301 T302 L303 V307 K309 L356 Q357 I358	E301-V305 VanDerWaalsContact O-CG2 3.28Å; E301-V305 WeakPolarHBondContact O-CG2 3.32Å; E301-V305 PolarHBondContact O-N 3.49Å; T302-V305 PolarHBondContact O-N 3.27Å; L303-V305 VanDerWaalsContact C-N 3.33Å; L303-V305 PolarHBondContact O-N 3.39Å; V305-V307 PolarHBondContact O-N 3.02Å; V305-K309 HydrophobicContact CG1-CD 4.08Å; V305-K309 HydrophobicContact CG1-CG 4.46Å; V305-K309 WeakPolarHBondContact O-CB 3.45Å; V305-K309 VanDerWaalsContact O-CG 3.26Å; V305-K309 WeakPolarHBondContact O-CG 3.24Å; V305-K309 PolarHBondContact O-N 3Å; V305-L356 HydrophobicContact CG1-CB 4.05Å; V305-L356 HydrophobicContact CG2-CB 4.25Å; V305-Q357 WeakPolarHBondContact CG2-O 3.29Å; V305-I358 HydrophobicContact CB-CG1 4.13Å; V305-I358 HydrophobicContact CG1-CG1 3.8Å
306	Q	98.7	Very high	98.2	Very high	13 Å²	13	24.4 Å²	24.4	6%	0.061	12%	0.116	C	C	.	.	H	α-helix	trans	-57.6	-51.9	179.1	-71.4	170.9	-17.6	0	0	111.2	L208 A247 T302 L303 N308 K309 F310	L208-Q306 HydrophobicContact CB-CG 4.2Å; L208-Q306 PolarHBondContact O-NE2 2.82Å; A247-Q306 HydrophobicContact CB-CB 3.77Å; T302-Q306 HydrophobicContact CG2-CG 4.44Å; T302-Q306 VanDerWaalsContact O-CG 3.29Å; T302-Q306 WeakPolarHBondContact O-CG 3.44Å; T302-Q306 PolarHBondContact O-N 2.7Å; L303-Q306 PolarHBondContact O-N 3.05Å; Q306-N308 PolarHBondContact O-N 2.97Å; Q306-K309 PolarHBondContact O-N 2.97Å; Q306-F310 WeakPolarHBondContact O-CD2 3.38Å; Q306-F310 PolarHBondContact O-N 3.07Å
307	V	98.8	Very high	98.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58	-49.6	-177.4	166.2	0	0	0	0	111.7	A247 I250 F254 L278 L303 V305 K309 F310 A311	A247-V307 HydrophobicContact CB-CG2 4.18Å; I250-V307 HydrophobicContact CB-CG1 4.2Å; I250-V307 HydrophobicContact CB-CG2 3.85Å; I250-V307 HydrophobicContact CD1-CG2 4.03Å; I250-V307 HydrophobicContact CG2-CB 4.46Å; I250-V307 HydrophobicContact CG2-CG1 3.71Å; I250-V307 HydrophobicContact CG2-CG2 3.83Å; F254-V307 HydrophobicContact CD2-CG1 3.68Å; F254-V307 HydrophobicContact CE2-CG1 3.67Å; L278-V307 HydrophobicContact CD2-CG2 3.99Å; L303-V307 HydrophobicContact CD1-CG2 3.81Å; L303-V307 HydrophobicContact CG-CG2 4Å; L303-V307 VanDerWaalsContact O-CB 3.31Å; L303-V307 WeakPolarHBondContact O-CB 3.48Å; L303-V307 WeakPolarHBondContact O-CG2 3.4Å; L303-V307 PolarHBondContact O-N 3.28Å; V305-V307 PolarHBondContact O-N 3.02Å; V307-K309 VanDerWaalsContact C-N 3.31Å; V307-K309 PolarHBondContact O-N 3.27Å; V307-F310 PolarHBondContact O-N 3.44Å; V307-A311 PolarHBondContact O-N 3.26Å
308	N	98.6	Very high	98.1	Very high	9 Å²	9	17.1 Å²	17.1	5%	0.048	8%	0.076	C	C	.	.	H	α-helix	trans	-64.3	-38.1	179.2	-76.5	-82.3	0	0	0	111.6	Y268 Q274 Y304 Q306 A311 V353 L356	Y268-N308 PolarHBondContact OH-OD1 2.88Å; Y268-N308 VanDerWaalsContact OH-OD1 3.09Å; Q274-N308 PolarHBondContact NE2-OD1 2.91Å; Q274-N308 PolarHBondContact OE1-ND2 3.01Å; Q274-N308 PolarHBondContact OE1-OD1 3.19Å; Y304-N308 WeakPolarHBondContact CD2-ND2 3.34Å; Y304-N308 WeakPolarHBondContact CE2-ND2 3.34Å; Y304-N308 PolarHBondContact O-N 3.14Å; Y304-N308 VanDerWaalsContact O-N 3.15Å; Y304-N308 PolarHBondContact O-ND2 3.46Å; Q306-N308 PolarHBondContact O-N 2.97Å; N308-A311 WeakPolarHBondContact O-CB 3.47Å; N308-A311 PolarHBondContact O-N 3.49Å; N308-V353 VanDerWaalsContact C-CG1 3.47Å; N308-V353 HydrophobicContact CB-CG1 4.31Å; N308-V353 WeakPolarHBondContact O-CG1 3.33Å; N308-L356 HydrophobicContact CB-CD1 3.76Å
309	K	98.5	Very high	98.1	Very high	7 Å²	7	10.7 Å²	10.7	3%	0.03	5%	0.051	C	C	.	.	H	α-helix	trans	-66.6	-37.2	175.6	-68.4	-168	-180	-159.4	0	112.5	L205 L208 V305 Q306 V307 L312 V353 M354 L356	L205-K309 WeakPolarHBondContact CD1-O 3.36Å; L205-K309 HydrophobicContact CD2-CB 3.71Å; L208-K309 HydrophobicContact CD1-CB 3.72Å; L208-K309 HydrophobicContact CD1-CD 3.74Å; L208-K309 HydrophobicContact CD1-CG 4.3Å; L208-K309 HydrophobicContact CD2-CD 4.09Å; V305-K309 HydrophobicContact CG1-CD 4.08Å; V305-K309 HydrophobicContact CG1-CG 4.46Å; V305-K309 WeakPolarHBondContact O-CB 3.45Å; V305-K309 VanDerWaalsContact O-CG 3.26Å; V305-K309 WeakPolarHBondContact O-CG 3.24Å; V305-K309 PolarHBondContact O-N 3Å; Q306-K309 PolarHBondContact O-N 2.97Å; V307-K309 VanDerWaalsContact C-N 3.31Å; V307-K309 PolarHBondContact O-N 3.27Å; K309-L312 VanDerWaalsContact O-CB 3.31Å; K309-L312 WeakPolarHBondContact O-CB 3.46Å; K309-L312 PolarHBondContact O-N 3.45Å; K309-V353 VanDerWaalsContact CA-CG1 3.49Å; K309-V353 HydrophobicContact CB-CG1 4.24Å; K309-V353 WeakPolarHBondContact CE-O 3.3Å; K309-V353 HydrophobicContact CG-CG1 3.79Å; K309-M354 HydrophobicContact CB-CE 4.07Å; K309-M354 HydrophobicContact CD-CE 3.71Å; K309-M354 HydrophobicContact CG-CE 3.58Å; K309-L356 WeakPolarHBondContact CE-O 3.45Å; K309-L356 PolarHBondContact NZ-O 2.97Å
310	F	98.6	Very high	97.9	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-77.6	-20.1	176.5	-87.4	-85.8	0	0	0	114	L160 W161 L205 L208 Y245 A247 F248 Q306 V307 L312 A313 S314	L160-F310 HydrophobicContact CD2-CD1 4.25Å; L160-F310 HydrophobicContact CD2-CE1 4.19Å; W161-F310 HydrophobicContact CZ2-CE1 4.28Å; L205-F310 HydrophobicContact CB-CD1 4.5Å; L205-F310 HydrophobicContact CB-CE1 3.98Å; L205-F310 HydrophobicContact CB-CE2 4.06Å; L205-F310 HydrophobicContact CB-CZ 3.76Å; L205-F310 HydrophobicContact CD1-CD1 4.09Å; L205-F310 HydrophobicContact CD1-CE1 4.33Å; L205-F310 HydrophobicContact CD1-CG 4.31Å; L205-F310 WeakPolarHBondContact O-CZ 3.42Å; L208-F310 HydrophobicContact CD1-CD2 4.34Å; L208-F310 HydrophobicContact CD1-CE2 4.11Å; Y245-F310 HydrophobicContact CD1-CE1 4.21Å; Y245-F310 AromaticContact CD1-CZ 3.81Å; Y245-F310 HydrophobicContact CD1-CZ 3.81Å; Y245-F310 HydrophobicContact CD2-CD1 4.4Å; Y245-F310 AromaticContact CD2-CE1 3.43Å; Y245-F310 HydrophobicContact CD2-CE1 3.43Å; Y245-F310 VanDerWaalsContact CD2-CE1 3.43Å; Y245-F310 AromaticContact CD2-CZ 3.88Å; Y245-F310 HydrophobicContact CD2-CZ 3.88Å; Y245-F310 HydrophobicContact CE1-CZ 4.22Å; Y245-F310 AromaticContact CE2-CE1 4Å; Y245-F310 HydrophobicContact CE2-CE1 4Å; Y245-F310 HydrophobicContact CE2-CZ 4.29Å; Y245-F310 HydrophobicContact CG-CD1 4.46Å; Y245-F310 AromaticContact CG-CE1 3.53Å; Y245-F310 HydrophobicContact CG-CE1 3.53Å; Y245-F310 AromaticContact CG-CZ 3.6Å; Y245-F310 HydrophobicContact CG-CZ 3.6Å; A247-F310 HydrophobicContact CB-CB 3.99Å; A247-F310 HydrophobicContact CB-CD2 3.49Å; A247-F310 VanDerWaalsContact CB-CD2 3.49Å; A247-F310 HydrophobicContact CB-CE2 4.17Å; A247-F310 HydrophobicContact CB-CG 3.89Å; F248-F310 HydrophobicContact CB-CB 4.42Å; F248-F310 HydrophobicContact CB-CD1 3.93Å; F248-F310 HydrophobicContact CB-CG 4.49Å; Q306-F310 WeakPolarHBondContact O-CD2 3.38Å; Q306-F310 PolarHBondContact O-N 3.07Å; V307-F310 PolarHBondContact O-N 3.44Å; F310-L312 PolarHBondContact O-N 2.92Å; F310-A313 WeakPolarHBondContact O-CB 3.33Å; F310-A313 PolarHBondContact O-N 2.62Å; F310-S314 PolarHBondContact O-N 3.3Å
311	A	98.4	Very high	97.7	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-58.2	-30.6	170.2	0	0	0	0	0	112.1	N255 V307 N308 A313 S314 H315	N255-A311 PolarHBondContact ND2-O 3.39Å; V307-A311 PolarHBondContact O-N 3.26Å; N308-A311 WeakPolarHBondContact O-CB 3.47Å; N308-A311 PolarHBondContact O-N 3.49Å; A311-A313 PolarHBondContact O-N 3.22Å; A311-S314 WeakPolarHBondContact O-CB 3.15Å; A311-S314 PolarHBondContact O-N 3.13Å; A311-H315 PolarHBondContact O-CD2 3.47Å; A311-H315 PolarHBondContact O-N 3.28Å
312	L	98.4	Very high	97.4	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-58.2	-45.8	170.4	-66.3	175.5	0	0	0	112.4	M201 K309 F310 S314 H315 F316 Y346 I349 K350 V353 M354	M201-L312 HydrophobicContact SD-CB 4.47Å; K309-L312 VanDerWaalsContact O-CB 3.31Å; K309-L312 WeakPolarHBondContact O-CB 3.46Å; K309-L312 PolarHBondContact O-N 3.45Å; F310-L312 PolarHBondContact O-N 2.92Å; L312-S314 VanDerWaalsContact C-N 3.26Å; L312-S314 PolarHBondContact O-N 2.92Å; L312-H315 PolarHBondContact O-N 3Å; L312-F316 PolarHBondContact O-N 3Å; L312-Y346 HydrophobicContact CB-CD2 3.73Å; L312-Y346 HydrophobicContact CB-CE2 3.7Å; L312-Y346 HydrophobicContact CD1-CE2 4.45Å; L312-Y346 HydrophobicContact CD2-CD2 3.73Å; L312-Y346 HydrophobicContact CD2-CE2 4.07Å; L312-Y346 HydrophobicContact CD2-CG 4.42Å; L312-Y346 HydrophobicContact CG-CD2 4.3Å; L312-Y346 HydrophobicContact CG-CE2 4.3Å; L312-Y346 WeakPolarHBondContact O-CD2 3.24Å; L312-I349 HydrophobicContact CD2-CD1 3.95Å; L312-I349 HydrophobicContact CD2-CG1 3.5Å; L312-I349 VanDerWaalsContact CD2-CG1 3.5Å; L312-K350 HydrophobicContact CD1-CG 4.46Å; L312-K350 HydrophobicContact CD2-CB 4.12Å; L312-V353 HydrophobicContact CD1-CB 4.37Å; L312-V353 HydrophobicContact CD1-CG1 3.88Å; L312-V353 HydrophobicContact CG-CG1 4.13Å; L312-M354 HydrophobicContact CD1-CE 3.61Å
313	A	98.3	Very high	97.1	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-65.4	-32	179.6	0	0	0	0	0	111.8	L160 W161 M164 M201 L205 F248 F310 A311 F316 F317	L160-A313 HydrophobicContact CD2-CB 4.08Å; W161-A313 HydrophobicContact CH2-CB 4.2Å; M164-A313 HydrophobicContact CE-CB 4.32Å; M164-A313 VanDerWaalsContact CE-O 3.27Å; M164-A313 WeakPolarHBondContact CE-O 3.38Å; M201-A313 HydrophobicContact SD-CB 4.1Å; L205-A313 HydrophobicContact CD1-CB 3.98Å; F248-A313 HydrophobicContact CD2-CB 4.13Å; F248-A313 HydrophobicContact CE2-CB 4.29Å; F310-A313 WeakPolarHBondContact O-CB 3.33Å; F310-A313 PolarHBondContact O-N 2.62Å; A311-A313 PolarHBondContact O-N 3.22Å; A313-F316 PolarHBondContact O-N 2.82Å; A313-F317 VanDerWaalsContact O-CB 3.31Å; A313-F317 WeakPolarHBondContact O-CB 3.21Å; A313-F317 PolarHBondContact O-N 2.9Å
314	S	98.1	Very high	96.7	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-62.8	-42.6	172.9	161	0	0	0	0	111.6	N252 N255 F310 A311 L312 F316 F317 W318 R342	N252-S314 WeakPolarHBondContact OD1-CB 3.4Å; N252-S314 PolarHBondContact OD1-OG 2.94Å; N255-S314 WeakPolarHBondContact ND2-CB 3.42Å; N255-S314 PolarHBondContact ND2-OG 2.97Å; N255-S314 VanDerWaalsContact ND2-OG 3.1Å; F310-S314 PolarHBondContact O-N 3.3Å; A311-S314 WeakPolarHBondContact O-CB 3.15Å; A311-S314 PolarHBondContact O-N 3.13Å; L312-S314 VanDerWaalsContact C-N 3.26Å; L312-S314 PolarHBondContact O-N 2.92Å; S314-F316 PolarHBondContact O-N 3.43Å; S314-F317 PolarHBondContact O-N 2.86Å; S314-W318 PolarHBondContact O-N 2.92Å; S314-W318 VanDerWaalsContact O-N 3.08Å; S314-R342 PolarHBondContact O-NH2 3.22Å; S314-R342 PolarHBondContact OG-NH2 3.38Å
315	H	98	Very high	96.1	Very high	1 Å²	1	4 Å²	4	1%	0.005	2%	0.018	C	C	.	.	H	α-helix	trans	-58.5	-46.2	175.4	-71.5	-52.9	0	0	0	112.4	N255 Y265 A311 L312 G319 R342 Q345	N255-H315 PolarHBondContact OD1-NE2 3.49Å; Y265-H315 AromaticContact CE1-CE1 3.84Å; A311-H315 PolarHBondContact O-CD2 3.47Å; A311-H315 PolarHBondContact O-N 3.28Å; L312-H315 PolarHBondContact O-N 3Å; H315-G319 PolarHBondContact O-N 3.46Å; H315-R342 WeakPolarHBondContact CB-O 3.17Å; H315-R342 WeakPolarHBondContact O-CB 3.47Å; H315-Q345 WeakPolarHBondContact NE2-CG 3.43Å
316	F	96.6	Very high	95.6	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-66	-41.9	177.3	-102.2	-116.1	0	0	0	113.2	M164 L194 E197 M201 L312 A313 S314 W318 G319 F320 F343 Y346 F347	M164-F316 HydrophobicContact CE-CB 4.16Å; M164-F316 HydrophobicContact SD-CB 4.43Å; L194-F316 HydrophobicContact CB-CE1 4.5Å; L194-F316 HydrophobicContact CD2-CE1 3.85Å; L194-F316 HydrophobicContact CD2-CZ 3.85Å; E197-F316 HydrophobicContact CB-CE1 3.72Å; E197-F316 HydrophobicContact CB-CE2 4.5Å; E197-F316 HydrophobicContact CB-CZ 3.52Å; E197-F316 HydrophobicContact CG-CZ 4.24Å; M201-F316 HydrophobicContact CE-CB 3.57Å; M201-F316 HydrophobicContact CE-CD1 3.46Å; M201-F316 VanDerWaalsContact CE-CD1 3.46Å; M201-F316 HydrophobicContact CE-CD2 4.04Å; M201-F316 HydrophobicContact CE-CE1 4.14Å; M201-F316 HydrophobicContact CE-CG 3.39Å; M201-F316 HydrophobicContact SD-CB 4.4Å; M201-F316 HydrophobicContact SD-CG 4.38Å; L312-F316 PolarHBondContact O-N 3Å; A313-F316 PolarHBondContact O-N 2.82Å; S314-F316 PolarHBondContact O-N 3.43Å; F316-W318 PolarHBondContact O-N 2.86Å; F316-G319 PolarHBondContact O-N 3.47Å; F316-F320 AromaticContact CD1-CE2 3.93Å; F316-F320 HydrophobicContact CD1-CE2 3.93Å; F316-F320 AromaticContact CD1-CZ 3.82Å; F316-F320 HydrophobicContact CD1-CZ 3.82Å; F316-F320 HydrophobicContact CE1-CZ 4.21Å; F316-F320 WeakPolarHBondContact O-CD2 3.46Å; F316-F320 PolarHBondContact O-N 2.73Å; F316-F343 HydrophobicContact CD1-CE1 4.1Å; F316-F343 AromaticContact CD2-CD1 3.95Å; F316-F343 HydrophobicContact CD2-CD1 3.95Å; F316-F343 HydrophobicContact CD2-CE1 4.16Å; F316-F343 HydrophobicContact CE1-CD1 4.49Å; F316-F343 HydrophobicContact CE1-CE1 4.22Å; F316-F343 AromaticContact CE2-CD1 3.77Å; F316-F343 HydrophobicContact CE2-CD1 3.77Å; F316-F343 HydrophobicContact CE2-CE1 4.21Å; F316-F343 HydrophobicContact CG-CD1 4.34Å; F316-F343 HydrophobicContact CG-CE1 4.08Å; F316-F343 HydrophobicContact CZ-CD1 4.09Å; F316-F343 HydrophobicContact CZ-CE1 4.28Å; F316-Y346 AromaticContact CD2-CD1 3.93Å; F316-Y346 HydrophobicContact CD2-CD1 3.93Å; F316-Y346 AromaticContact CD2-CD2 3.49Å; F316-Y346 HydrophobicContact CD2-CD2 3.49Å; F316-Y346 VanDerWaalsContact CD2-CD2 3.49Å; F316-Y346 HydrophobicContact CD2-CE1 4.24Å; F316-Y346 AromaticContact CD2-CE2 3.83Å; F316-Y346 HydrophobicContact CD2-CE2 3.83Å; F316-Y346 AromaticContact CD2-CG 3.53Å; F316-Y346 HydrophobicContact CD2-CG 3.53Å; F316-Y346 AromaticContact CE2-CD1 3.23Å; F316-Y346 HydrophobicContact CE2-CD1 3.23Å; F316-Y346 AromaticContact CE2-CD2 3.69Å; F316-Y346 HydrophobicContact CE2-CD2 3.69Å; F316-Y346 AromaticContact CE2-CE1 3.45Å; F316-Y346 HydrophobicContact CE2-CE1 3.45Å; F316-Y346 VanDerWaalsContact CE2-CE1 3.45Å; F316-Y346 AromaticContact CE2-CE2 3.89Å; F316-Y346 HydrophobicContact CE2-CE2 3.89Å; F316-Y346 AromaticContact CE2-CG 3.34Å; F316-Y346 HydrophobicContact CE2-CG 3.34Å; F316-Y346 AromaticContact CE2-CZ 3.78Å; F316-Y346 HydrophobicContact CZ-CD1 4.13Å; F316-Y346 AromaticContact CZ-CE1 3.99Å; F316-Y346 HydrophobicContact CZ-CE1 3.99Å; F316-F347 HydrophobicContact CZ-CZ 4.43Å
317	F	97.4	Very high	94.9	Very high	5 Å²	5	9 Å²	9	2%	0.022	5%	0.046	C	C	.	.	H	α-helix	trans	-58.1	-50.4	-179.7	-173.8	-90.7	0	0	0	111	L160 K163 M164 Y167 F248 A313 S314 F320 W321	L160-F317 HydrophobicContact CD1-CD2 3.9Å; K163-F317 HydrophobicContact CB-CE2 3.87Å; K163-F317 HydrophobicContact CD-CE2 4.4Å; K163-F317 HydrophobicContact CD-CZ 4.31Å; M164-F317 HydrophobicContact CE-CB 3.82Å; M164-F317 HydrophobicContact CE-CD2 4.28Å; Y167-F317 HydrophobicContact CD2-CE2 4.33Å; Y167-F317 HydrophobicContact CD2-CZ 4.34Å; Y167-F317 HydrophobicContact CE2-CD1 4.41Å; Y167-F317 AromaticContact CE2-CE1 3.79Å; Y167-F317 HydrophobicContact CE2-CE1 3.79Å; Y167-F317 AromaticContact CE2-CE2 3.94Å; Y167-F317 HydrophobicContact CE2-CE2 3.94Å; Y167-F317 AromaticContact CE2-CZ 3.53Å; Y167-F317 HydrophobicContact CE2-CZ 3.53Å; Y167-F317 AromaticContact CZ-CZ 3.92Å; F248-F317 HydrophobicContact CE2-CB 4.38Å; F248-F317 HydrophobicContact CZ-CB 4.27Å; F248-F317 HydrophobicContact CZ-CG 4.21Å; A313-F317 VanDerWaalsContact O-CB 3.31Å; A313-F317 WeakPolarHBondContact O-CB 3.21Å; A313-F317 PolarHBondContact O-N 2.9Å; S314-F317 PolarHBondContact O-N 2.86Å; F317-F320 PolarHBondContact O-N 3.08Å; F317-W321 PolarHBondContact O-N 2.76Å
318	W	96.1	Very high	94.2	Very high	10 Å²	10	12.9 Å²	12.9	4%	0.038	6%	0.062	C	C	.	.	H	α-helix	trans	-76.1	-26.5	179.8	-66.9	111.8	0	0	0	113.2	D218 Y240 N252 S314 F316 W321 A322	D218-W318 HydrophobicContact CB-CH2 3.98Å; D218-W318 HydrophobicContact CB-CZ2 3.82Å; D218-W318 VanDerWaalsContact CG-CH2 3.49Å; D218-W318 WeakPolarHBondContact OD1-CH2 3.32Å; D218-W318 WeakPolarHBondContact OD1-CZ2 3.31Å; Y240-W318 HydrophobicContact CD1-CH2 4.33Å; Y240-W318 HydrophobicContact CD2-CH2 4.01Å; Y240-W318 HydrophobicContact CE1-CH2 4.23Å; Y240-W318 HydrophobicContact CE1-CZ3 4.4Å; Y240-W318 AromaticContact CE2-CH2 3.89Å; Y240-W318 HydrophobicContact CE2-CH2 3.89Å; Y240-W318 HydrophobicContact CE2-CZ3 4.38Å; Y240-W318 HydrophobicContact CG-CH2 4.24Å; N252-W318 PolarHBondContact OD1-NE1 3.32Å; S314-W318 PolarHBondContact O-N 2.92Å; S314-W318 VanDerWaalsContact O-N 3.08Å; F316-W318 PolarHBondContact O-N 2.86Å; W318-W321 HydrophobicContact CE3-CB 3.91Å; W318-W321 AromaticContact CE3-CD2 3.82Å; W318-W321 HydrophobicContact CE3-CD2 3.82Å; W318-W321 HydrophobicContact CE3-CE3 4.08Å; W318-W321 AromaticContact CE3-CG 3.75Å; W318-W321 HydrophobicContact CE3-CG 3.75Å; W318-W321 HydrophobicContact CZ3-CB 4.42Å; W318-W321 AromaticContact CZ3-CD1 3.96Å; W318-W321 AromaticContact CZ3-CD2 4Å; W318-W321 HydrophobicContact CZ3-CD2 4Å; W318-W321 AromaticContact CZ3-CG 3.9Å; W318-W321 HydrophobicContact CZ3-CG 3.9Å; W318-W321 PolarHBondContact O-N 3.32Å; W318-A322 VanDerWaalsContact O-CB 3.24Å; W318-A322 WeakPolarHBondContact O-CB 3.24Å; W318-A322 PolarHBondContact O-N 3.01Å
319	G	95.7	Very high	93.3	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-61.8	-46.6	169.2	0	0	0	0	0	112.1	H315 F316 A322 L323	H315-G319 PolarHBondContact O-N 3.46Å; F316-G319 PolarHBondContact O-N 3.47Å; G319-A322 PolarHBondContact O-N 3.21Å; G319-L323 WeakPolarHBondContact O-CG 3.41Å; G319-L323 PolarHBondContact O-N 3.15Å
320	F	95	Very high	92.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66.5	-42.1	174.6	-65.8	-41.1	0	0	0	112.7	M164 Y167 F168 V171 L194 M198 F316 F317 A322 L323 I324 F343	M164-F320 HydrophobicContact CG-CD2 3.82Å; M164-F320 HydrophobicContact CG-CE2 3.72Å; M164-F320 HydrophobicContact SD-CE2 4.42Å; Y167-F320 HydrophobicContact CD2-CB 4.36Å; F168-F320 HydrophobicContact CB-CE2 4.27Å; F168-F320 HydrophobicContact CB-CZ 4.29Å; F168-F320 HydrophobicContact CD2-CD1 4.37Å; F168-F320 AromaticContact CD2-CE1 3.61Å; F168-F320 HydrophobicContact CD2-CE1 3.61Å; F168-F320 HydrophobicContact CD2-CE2 4.44Å; F168-F320 AromaticContact CD2-CZ 3.65Å; F168-F320 HydrophobicContact CD2-CZ 3.65Å; F168-F320 HydrophobicContact CE2-CE1 4.33Å; F168-F320 HydrophobicContact CE2-CZ 4.43Å; F168-F320 HydrophobicContact CG-CZ 4.34Å; V171-F320 HydrophobicContact CG2-CB 4.36Å; V171-F320 HydrophobicContact CG2-CD1 3.91Å; V171-F320 HydrophobicContact CG2-CG 4.47Å; L194-F320 HydrophobicContact CB-CE1 4.07Å; L194-F320 HydrophobicContact CB-CZ 4.21Å; L194-F320 HydrophobicContact CD1-CE1 4.04Å; L194-F320 HydrophobicContact CD2-CE1 4.49Å; L194-F320 HydrophobicContact CG-CE1 4.42Å; M198-F320 HydrophobicContact SD-CE2 4.3Å; F316-F320 AromaticContact CD1-CE2 3.93Å; F316-F320 HydrophobicContact CD1-CE2 3.93Å; F316-F320 AromaticContact CD1-CZ 3.82Å; F316-F320 HydrophobicContact CD1-CZ 3.82Å; F316-F320 HydrophobicContact CE1-CZ 4.21Å; F316-F320 WeakPolarHBondContact O-CD2 3.46Å; F316-F320 PolarHBondContact O-N 2.73Å; F317-F320 PolarHBondContact O-N 3.08Å; F320-A322 VanDerWaalsContact C-N 3.26Å; F320-A322 PolarHBondContact O-N 2.65Å; F320-L323 PolarHBondContact O-N 3.43Å; F320-I324 WeakPolarHBondContact O-CG1 3.49Å; F320-I324 PolarHBondContact O-N 3.14Å; F320-I324 VanDerWaalsContact O-N 3.08Å; F320-F343 HydrophobicContact CD1-CE1 4.38Å; F320-F343 AromaticContact CD1-CZ 3.83Å; F320-F343 HydrophobicContact CD1-CZ 3.83Å; F320-F343 HydrophobicContact CE1-CE1 4.24Å; F320-F343 AromaticContact CE1-CZ 3.98Å; F320-F343 HydrophobicContact CE1-CZ 3.98Å
321	W	93.6	Very high	91.1	Very high	7 Å²	7	21.5 Å²	21.5	3%	0.027	12%	0.118	C	C	.	.	H	α-helix	trans	-54.2	-46	173.5	172.3	92	0	0	0	111.2	Y167 Y240 F317 W318 I324 Q325 F335 Y338	Y167-W321 HydrophobicContact CD2-CB 4.29Å; Y167-W321 HydrophobicContact CE2-CB 4Å; Y240-W321 PolarHBondContact OH-NE1 2.92Å; Y240-W321 VanDerWaalsContact OH-NE1 3.16Å; F317-W321 PolarHBondContact O-N 2.76Å; W318-W321 HydrophobicContact CE3-CB 3.91Å; W318-W321 AromaticContact CE3-CD2 3.82Å; W318-W321 HydrophobicContact CE3-CD2 3.82Å; W318-W321 HydrophobicContact CE3-CE3 4.08Å; W318-W321 AromaticContact CE3-CG 3.75Å; W318-W321 HydrophobicContact CE3-CG 3.75Å; W318-W321 HydrophobicContact CZ3-CB 4.42Å; W318-W321 AromaticContact CZ3-CD1 3.96Å; W318-W321 AromaticContact CZ3-CD2 4Å; W318-W321 HydrophobicContact CZ3-CD2 4Å; W318-W321 AromaticContact CZ3-CG 3.9Å; W318-W321 HydrophobicContact CZ3-CG 3.9Å; W318-W321 PolarHBondContact O-N 3.32Å; W321-I324 PolarHBondContact O-N 3.05Å; W321-Q325 HydrophobicContact CD2-CG 3.93Å; W321-Q325 HydrophobicContact CE3-CG 4.31Å; W321-Q325 HydrophobicContact CG-CG 4.49Å; W321-Q325 HydrophobicContact CH2-CG 4.18Å; W321-Q325 HydrophobicContact CZ2-CG 3.77Å; W321-Q325 HydrophobicContact CZ3-CG 4.42Å; W321-Q325 WeakPolarHBondContact O-CG 3.38Å; W321-Q325 PolarHBondContact O-N 3.42Å; W321-F335 HydrophobicContact CH2-CD1 4.17Å; W321-F335 AromaticContact CH2-CE1 3.59Å; W321-F335 HydrophobicContact CH2-CE1 3.59Å; W321-F335 HydrophobicContact CZ2-CE1 4.36Å; W321-F335 AromaticContact CZ3-CD1 3.97Å; W321-F335 HydrophobicContact CZ3-CD1 3.97Å; W321-F335 AromaticContact CZ3-CE1 3.87Å; W321-F335 HydrophobicContact CZ3-CE1 3.87Å; W321-Y338 HydrophobicContact CE3-CE1 4.49Å; W321-Y338 HydrophobicContact CZ3-CD1 4.33Å; W321-Y338 HydrophobicContact CZ3-CE1 4.21Å
322	A	92.2	Very high	90.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.4	-41.8	-179.3	0	0	0	0	0	112	W318 G319 F320 I324 Q325 A326 F335 Y338 A339	W318-A322 VanDerWaalsContact O-CB 3.24Å; W318-A322 WeakPolarHBondContact O-CB 3.24Å; W318-A322 PolarHBondContact O-N 3.01Å; G319-A322 PolarHBondContact O-N 3.21Å; F320-A322 VanDerWaalsContact C-N 3.26Å; F320-A322 PolarHBondContact O-N 2.65Å; A322-I324 VanDerWaalsContact C-N 3.3Å; A322-I324 PolarHBondContact O-N 3.17Å; A322-Q325 PolarHBondContact O-N 3.11Å; A322-A326 WeakPolarHBondContact O-CB 3.26Å; A322-A326 PolarHBondContact O-N 3.16Å; A322-F335 WeakPolarHBondContact CB-O 3.49Å; A322-F335 WeakPolarHBondContact O-CB 3.06Å; A322-Y338 HydrophobicContact CB-CD1 3.75Å; A322-A339 HydrophobicContact CB-CB 3.78Å
323	L	91.3	Very high	89.6	Confident	5 Å²	5	32.7 Å²	32.7	3%	0.026	18%	0.175	C	C	.	.	H	α-helix	trans	-61.6	-35.8	174.3	-69.2	-178.9	0	0	0	113.3	V171 V188 G319 F320 L336 A339 F343	V171-L323 HydrophobicContact CG1-CB 4.14Å; V171-L323 HydrophobicContact CG1-CD1 3.74Å; V171-L323 HydrophobicContact CG2-CB 4.13Å; V171-L323 HydrophobicContact CG2-CD1 4.21Å; V188-L323 HydrophobicContact CG1-CD1 4.11Å; V188-L323 HydrophobicContact CG1-CD2 4.44Å; V188-L323 HydrophobicContact CG2-CD2 4.13Å; G319-L323 WeakPolarHBondContact O-CG 3.41Å; G319-L323 PolarHBondContact O-N 3.15Å; F320-L323 PolarHBondContact O-N 3.43Å; L323-L336 HydrophobicContact CD2-CD1 3.94Å; L323-A339 HydrophobicContact CD2-CB 3.61Å; L323-A339 HydrophobicContact CG-CB 3.82Å; L323-F343 HydrophobicContact CD1-CE2 3.84Å; L323-F343 HydrophobicContact CD1-CZ 4.21Å; L323-F343 HydrophobicContact CG-CE2 4.25Å
324	I	90.3	Very high	89.1	Confident	3 Å²	3	36.7 Å²	36.7	2%	0.015	20%	0.197	C	C	.	.	H	α-helix	trans	-67.6	-47.3	174.6	-64.1	162.6	0	0	0	109.6	I84 Y167 L170 V171 F320 W321 A322 A326 K327 Y328	I84-I324 HydrophobicContact CG2-CD1 4.29Å; I84-I324 HydrophobicContact CG2-CG2 4.2Å; Y167-I324 HydrophobicContact CD1-CD1 4.14Å; Y167-I324 HydrophobicContact CD2-CD1 4.4Å; Y167-I324 HydrophobicContact CG-CD1 3.86Å; L170-I324 HydrophobicContact CB-CD1 3.87Å; L170-I324 HydrophobicContact CB-CG1 3.99Å; L170-I324 HydrophobicContact CD1-CD1 4.38Å; V171-I324 HydrophobicContact CG2-CG1 4.41Å; F320-I324 WeakPolarHBondContact O-CG1 3.49Å; F320-I324 PolarHBondContact O-N 3.14Å; F320-I324 VanDerWaalsContact O-N 3.08Å; W321-I324 PolarHBondContact O-N 3.05Å; A322-I324 VanDerWaalsContact C-N 3.3Å; A322-I324 PolarHBondContact O-N 3.17Å; I324-A326 VanDerWaalsContact C-N 3.32Å; I324-A326 PolarHBondContact O-N 2.98Å; I324-K327 PolarHBondContact O-N 3.22Å; I324-K327 VanDerWaalsContact O-N 3.11Å; I324-Y328 HydrophobicContact CG2-CD2 3.85Å; I324-Y328 HydrophobicContact CG2-CE2 4.33Å; I324-Y328 VanDerWaalsContact O-CD2 3.26Å; I324-Y328 WeakPolarHBondContact O-CD2 3.15Å; I324-Y328 PolarHBondContact O-N 3.11Å
325	Q	87.6	Confident	88.6	Confident	19 Å²	19	37 Å²	37	9%	0.089	20%	0.198	C	C	.	.	H	α-helix	trans	-62.2	-37.8	179.3	-71.6	-65.4	-31.2	0	0	112.4	W321 A322 K327 Y328 S329 F335	W321-Q325 HydrophobicContact CD2-CG 3.93Å; W321-Q325 HydrophobicContact CE3-CG 4.31Å; W321-Q325 HydrophobicContact CG-CG 4.49Å; W321-Q325 HydrophobicContact CH2-CG 4.18Å; W321-Q325 HydrophobicContact CZ2-CG 3.77Å; W321-Q325 HydrophobicContact CZ3-CG 4.42Å; W321-Q325 WeakPolarHBondContact O-CG 3.38Å; W321-Q325 PolarHBondContact O-N 3.42Å; A322-Q325 PolarHBondContact O-N 3.11Å; Q325-K327 PolarHBondContact O-N 3.07Å; Q325-Y328 PolarHBondContact O-N 2.82Å; Q325-Y328 VanDerWaalsContact O-N 3.16Å; Q325-S329 WeakPolarHBondContact O-CA 3.23Å; Q325-S329 WeakPolarHBondContact O-CB 3.47Å; Q325-S329 PolarHBondContact O-N 3.16Å; Q325-S329 PolarHBondContact OE1-OG 3.13Å; Q325-F335 HydrophobicContact CB-CB 4.28Å; Q325-F335 HydrophobicContact CB-CD1 3.28Å; Q325-F335 HydrophobicContact CB-CD2 4.03Å; Q325-F335 HydrophobicContact CB-CE1 3.48Å; Q325-F335 VanDerWaalsContact CB-CE1 3.48Å; Q325-F335 HydrophobicContact CB-CE2 4.19Å; Q325-F335 HydrophobicContact CB-CG 3.59Å; Q325-F335 HydrophobicContact CB-CZ 3.94Å; Q325-F335 HydrophobicContact CG-CD1 4.07Å; Q325-F335 HydrophobicContact CG-CE1 3.89Å; Q325-F335 HydrophobicContact CG-CZ 4.43Å
326	A	87.4	Confident	88.2	Confident	35 Å²	35	37.4 Å²	37.4	29%	0.289	20%	0.2	S	C	.	.	H	α-helix	trans	-54.8	-25.6	176	0	0	0	0	0	113.1	F175 A322 I324 F335 L336	F175-A326 HydrophobicContact CE1-CB 3.83Å; F175-A326 HydrophobicContact CZ-CB 4.3Å; A322-A326 WeakPolarHBondContact O-CB 3.26Å; A322-A326 PolarHBondContact O-N 3.16Å; I324-A326 VanDerWaalsContact C-N 3.32Å; I324-A326 PolarHBondContact O-N 2.98Å; A326-F335 HydrophobicContact CB-CB 3.75Å; A326-L336 HydrophobicContact CB-CB 4.47Å
327	K	84.9	Confident	87.9	Confident	88 Å²	88	37.9 Å²	37.9	38%	0.383	21%	0.205	S	C	.	.	H	α-helix	trans	-93.5	-37.7	178.6	179.8	160.7	-178.8	160.4	0	113.6	A172 E174 F175 I324 Q325	A172-K327 HydrophobicContact CB-CB 4.47Å; A172-K327 HydrophobicContact CB-CD 3.21Å; A172-K327 HydrophobicContact CB-CG 4.44Å; E174-K327 PolarHBondContact O-NZ 3.13Å; E174-K327 VanDerWaalsContact O-NZ 3.13Å; F175-K327 HydrophobicContact CD1-CB 4.22Å; F175-K327 HydrophobicContact CE1-CB 3.65Å; F175-K327 HydrophobicContact CZ-CB 4.15Å; I324-K327 PolarHBondContact O-N 3.22Å; I324-K327 VanDerWaalsContact O-N 3.11Å; Q325-K327 PolarHBondContact O-N 3.07Å
328	Y	83	Confident	87.7	Confident	82 Å²	82	38 Å²	38	32%	0.322	21%	0.205	S	C	.	.	H	α-helix	trans	-112.3	-19.9	-165.2	-63	-67	0	0	0	114.1	K80 L83 I324 Q325	K80-Y328 HydrophobicContact CD-CD1 4.48Å; L83-Y328 HydrophobicContact CD1-CD2 4.28Å; L83-Y328 HydrophobicContact CD1-CG 4.27Å; I324-Y328 HydrophobicContact CG2-CD2 3.85Å; I324-Y328 HydrophobicContact CG2-CE2 4.33Å; I324-Y328 VanDerWaalsContact O-CD2 3.26Å; I324-Y328 WeakPolarHBondContact O-CD2 3.15Å; I324-Y328 PolarHBondContact O-N 3.11Å; Q325-Y328 PolarHBondContact O-N 2.82Å; Q325-Y328 VanDerWaalsContact O-N 3.16Å
329	S	79.3	Confident	87.5	Confident	32 Å²	32	37.5 Å²	37.5	22%	0.224	20%	0.204	C	C	.	.			trans	-72.9	141.8	-178.3	-152.5	0	0	0	0	111.4	Q325 I331 F335	Q325-S329 WeakPolarHBondContact O-CA 3.23Å; Q325-S329 WeakPolarHBondContact O-CB 3.47Å; Q325-S329 PolarHBondContact O-N 3.16Å; Q325-S329 PolarHBondContact OE1-OG 3.13Å; S329-I331 VanDerWaalsContact OG-CD1 3.28Å; S329-I331 WeakPolarHBondContact OG-CD1 3.48Å; S329-I331 WeakPolarHBondContact OG-CG1 3.49Å; S329-I331 PolarHBondContact OG-N 3.5Å; S329-F335 VanDerWaalsContact CB-CE2 3.44Å; S329-F335 WeakPolarHBondContact OG-CE2 3.36Å
330	S	74.8	Confident	87.4	Confident	109 Å²	109	38.1 Å²	38.1	76%	0.762	21%	0.207	S	C	*	.			trans	-97.1	5.8	169.3	60.6	0	0	0	0	112.6
331	I	76.1	Confident	87.4	Confident	56 Å²	56	42 Å²	42	29%	0.287	23%	0.228	S	C	.	.	S	Bend	trans	-81.8	137.1	-177.4	-56.5	160.2	0	0	0	109	T55 S329 F333 F335	T55-I331 VanDerWaalsContact C-CD1 3.48Å; T55-I331 WeakPolarHBondContact O-CD1 3.47Å; S329-I331 VanDerWaalsContact OG-CD1 3.28Å; S329-I331 WeakPolarHBondContact OG-CD1 3.48Å; S329-I331 WeakPolarHBondContact OG-CG1 3.49Å; S329-I331 PolarHBondContact OG-N 3.5Å; I331-F333 VanDerWaalsContact C-N 3.34Å; I331-F333 HydrophobicContact CG2-CB 4.19Å; I331-F333 PolarHBondContact O-N 3.28Å; I331-F335 HydrophobicContact CB-CE2 4.14Å; I331-F335 HydrophobicContact CB-CZ 4.18Å; I331-F335 HydrophobicContact CD1-CZ 4.18Å
332	D	81.8	Confident	87.5	Confident	172 Å²	172	41.9 Å²	41.9	92%	0.92	23%	0.227	S	C	*	.	S	Bend	trans	-76.4	84.2	173.8	-170.1	17.4	0	0	0	110.6
333	F	84	Confident	87.7	Confident	63 Å²	63	41.9 Å²	41.9	28%	0.276	23%	0.227	S	C	.	.	S	Bend	trans	-149.3	139.6	178.3	178.8	-94.2	0	0	0	110.1	M260 I331 F335 Y338	M260-F333 HydrophobicContact CG-CE2 4.25Å; M260-F333 HydrophobicContact CG-CZ 4.09Å; M260-F333 HydrophobicContact SD-CE2 4.44Å; M260-F333 HydrophobicContact SD-CZ 4.33Å; I331-F333 VanDerWaalsContact C-N 3.34Å; I331-F333 HydrophobicContact CG2-CB 4.19Å; I331-F333 PolarHBondContact O-N 3.28Å; F333-F335 HydrophobicContact CB-CD2 4.28Å; F333-F335 HydrophobicContact CB-CE2 3.87Å; F333-F335 HydrophobicContact CB-CZ 4Å; F333-F335 HydrophobicContact CD1-CB 4.32Å; F333-F335 AromaticContact CD1-CD1 3.44Å; F333-F335 HydrophobicContact CD1-CD1 3.44Å; F333-F335 VanDerWaalsContact CD1-CD1 3.44Å; F333-F335 HydrophobicContact CD1-CD2 4.01Å; F333-F335 AromaticContact CD1-CE1 3.57Å; F333-F335 HydrophobicContact CD1-CE1 3.57Å; F333-F335 HydrophobicContact CD1-CE2 4.12Å; F333-F335 AromaticContact CD1-CG 3.67Å; F333-F335 HydrophobicContact CD1-CG 3.67Å; F333-F335 AromaticContact CD1-CZ 3.91Å; F333-F335 HydrophobicContact CD1-CZ 3.91Å; F333-F335 AromaticContact CE1-CD1 3.87Å; F333-F335 HydrophobicContact CE1-CD1 3.87Å; F333-F335 HydrophobicContact CE1-CE1 4.17Å; F333-F335 HydrophobicContact CE1-CG 4.34Å; F333-F335 HydrophobicContact CG-CE1 4.36Å; F333-F335 HydrophobicContact CG-CE2 4.48Å; F333-F335 HydrophobicContact CG-CZ 4.32Å; F333-F335 VanDerWaalsContact O-CD2 3.25Å; F333-F335 WeakPolarHBondContact O-CD2 3.5Å; F333-F335 PolarHBondContact O-N 2.85Å; F333-Y338 HydrophobicContact CE1-CD1 4.2Å; F333-Y338 AromaticContact CE1-CG 3.92Å; F333-Y338 HydrophobicContact CE1-CG 3.92Å; F333-Y338 HydrophobicContact CZ-CD1 4.45Å; F333-Y338 HydrophobicContact CZ-CD2 4.16Å; F333-Y338 AromaticContact CZ-CG 3.93Å; F333-Y338 HydrophobicContact CZ-CG 3.93Å
334	D	87.4	Confident	87.9	Confident	83 Å²	83	45.7 Å²	45.7	44%	0.444	25%	0.248	S	C	.	.			trans	-76.7	72.4	177.2	-172.2	13.5	0	0	0	111.3	R183 L336 G337 Y338	R183-D334 IonicContact CZ-OD2 3.54Å; R183-D334 IonicContact NH1-OD1 3.1Å; R183-D334 PolarHBondContact NH1-OD1 3.41Å; R183-D334 IonicContact NH1-OD2 3.46Å; R183-D334 IonicContact NH2-OD1 2.65Å; R183-D334 IonicContact NH2-OD2 2.76Å; R183-D334 PolarHBondContact NH2-OD2 2.78Å; D334-L336 PolarHBondContact O-N 3.42Å; D334-G337 PolarHBondContact O-N 2.8Å; D334-G337 PolarHBondContact OD1-N 3.09Å; D334-G337 WeakPolarHBondContact OD2-CA 3.49Å; D334-Y338 WeakPolarHBondContact O-CB 3.5Å; D334-Y338 PolarHBondContact O-N 2.76Å
335	F	89.1	Confident	88.2	Confident	8 Å²	8	47 Å²	47	4%	0.035	25%	0.254	C	S	.	.	H	α-helix	trans	-58.5	-34.2	177.7	-71.2	-71.9	0	0	0	112.6	W321 A322 Q325 A326 S329 I331 F333 A339	W321-F335 HydrophobicContact CH2-CD1 4.17Å; W321-F335 AromaticContact CH2-CE1 3.59Å; W321-F335 HydrophobicContact CH2-CE1 3.59Å; W321-F335 HydrophobicContact CZ2-CE1 4.36Å; W321-F335 AromaticContact CZ3-CD1 3.97Å; W321-F335 HydrophobicContact CZ3-CD1 3.97Å; W321-F335 AromaticContact CZ3-CE1 3.87Å; W321-F335 HydrophobicContact CZ3-CE1 3.87Å; A322-F335 WeakPolarHBondContact CB-O 3.49Å; A322-F335 WeakPolarHBondContact O-CB 3.06Å; Q325-F335 HydrophobicContact CB-CB 4.28Å; Q325-F335 HydrophobicContact CB-CD1 3.28Å; Q325-F335 HydrophobicContact CB-CD2 4.03Å; Q325-F335 HydrophobicContact CB-CE1 3.48Å; Q325-F335 VanDerWaalsContact CB-CE1 3.48Å; Q325-F335 HydrophobicContact CB-CE2 4.19Å; Q325-F335 HydrophobicContact CB-CG 3.59Å; Q325-F335 HydrophobicContact CB-CZ 3.94Å; Q325-F335 HydrophobicContact CG-CD1 4.07Å; Q325-F335 HydrophobicContact CG-CE1 3.89Å; Q325-F335 HydrophobicContact CG-CZ 4.43Å; A326-F335 HydrophobicContact CB-CB 3.75Å; S329-F335 VanDerWaalsContact CB-CE2 3.44Å; S329-F335 WeakPolarHBondContact OG-CE2 3.36Å; I331-F335 HydrophobicContact CB-CE2 4.14Å; I331-F335 HydrophobicContact CB-CZ 4.18Å; I331-F335 HydrophobicContact CD1-CZ 4.18Å; F333-F335 HydrophobicContact CB-CD2 4.28Å; F333-F335 HydrophobicContact CB-CE2 3.87Å; F333-F335 HydrophobicContact CB-CZ 4Å; F333-F335 HydrophobicContact CD1-CB 4.32Å; F333-F335 AromaticContact CD1-CD1 3.44Å; F333-F335 HydrophobicContact CD1-CD1 3.44Å; F333-F335 VanDerWaalsContact CD1-CD1 3.44Å; F333-F335 HydrophobicContact CD1-CD2 4.01Å; F333-F335 AromaticContact CD1-CE1 3.57Å; F333-F335 HydrophobicContact CD1-CE1 3.57Å; F333-F335 HydrophobicContact CD1-CE2 4.12Å; F333-F335 AromaticContact CD1-CG 3.67Å; F333-F335 HydrophobicContact CD1-CG 3.67Å; F333-F335 AromaticContact CD1-CZ 3.91Å; F333-F335 HydrophobicContact CD1-CZ 3.91Å; F333-F335 AromaticContact CE1-CD1 3.87Å; F333-F335 HydrophobicContact CE1-CD1 3.87Å; F333-F335 HydrophobicContact CE1-CE1 4.17Å; F333-F335 HydrophobicContact CE1-CG 4.34Å; F333-F335 HydrophobicContact CG-CE1 4.36Å; F333-F335 HydrophobicContact CG-CE2 4.48Å; F333-F335 HydrophobicContact CG-CZ 4.32Å; F333-F335 VanDerWaalsContact O-CD2 3.25Å; F333-F335 WeakPolarHBondContact O-CD2 3.5Å; F333-F335 PolarHBondContact O-N 2.85Å; F335-A339 WeakPolarHBondContact O-CB 3.26Å; F335-A339 PolarHBondContact O-N 3.21Å
336	L	89.6	Confident	88.7	Confident	9 Å²	9	46.1 Å²	46.1	5%	0.047	25%	0.249	C	C	.	.	H	α-helix	trans	-69.2	-49.2	178.6	177.9	57.6	0	0	0	111	R183 I184 V188 L323 A326 D334 Y338 A339 V340	R183-L336 HydrophobicContact CB-CD2 3.57Å; I184-L336 HydrophobicContact CD1-CD1 4.08Å; I184-L336 HydrophobicContact CD1-CD2 4.39Å; I184-L336 HydrophobicContact CG1-CD1 3.31Å; I184-L336 HydrophobicContact CG1-CD2 3.78Å; I184-L336 HydrophobicContact CG1-CG 4.21Å; V188-L336 HydrophobicContact CG2-CD1 3.82Å; L323-L336 HydrophobicContact CD2-CD1 3.94Å; A326-L336 HydrophobicContact CB-CB 4.47Å; D334-L336 PolarHBondContact O-N 3.42Å; L336-Y338 VanDerWaalsContact C-N 3.26Å; L336-Y338 PolarHBondContact O-N 3.32Å; L336-A339 WeakPolarHBondContact O-CB 3.49Å; L336-A339 PolarHBondContact O-N 3.45Å; L336-A339 VanDerWaalsContact O-N 3.15Å; L336-V340 WeakPolarHBondContact O-CG2 3.47Å; L336-V340 PolarHBondContact O-N 3.41Å
337	G	90.3	Very high	89.2	Confident	10 Å²	10	47.7 Å²	47.7	10%	0.103	25%	0.25	C	S	.	.	H	α-helix	trans	-57.8	-41.6	174.3	0	0	0	0	0	111.9	D334 A339 V340 L341	D334-G337 PolarHBondContact O-N 2.8Å; D334-G337 PolarHBondContact OD1-N 3.09Å; D334-G337 WeakPolarHBondContact OD2-CA 3.49Å; G337-A339 PolarHBondContact O-N 3.07Å; G337-V340 PolarHBondContact O-N 2.89Å; G337-L341 VanDerWaalsContact O-CG 3.32Å; G337-L341 WeakPolarHBondContact O-CG 3.44Å; G337-L341 PolarHBondContact O-N 3.1Å
338	Y	92	Very high	89.8	Confident	7 Å²	7	50.1 Å²	50.1	3%	0.027	26%	0.262	C	S	.	.	H	α-helix	trans	-61.8	-42.7	175.1	-173.9	-114.8	0	0	0	112.6	M260 W321 A322 F333 D334 L336 V340 L341 R342	M260-Y338 HydrophobicContact CG-CE2 4.1Å; W321-Y338 HydrophobicContact CE3-CE1 4.49Å; W321-Y338 HydrophobicContact CZ3-CD1 4.33Å; W321-Y338 HydrophobicContact CZ3-CE1 4.21Å; A322-Y338 HydrophobicContact CB-CD1 3.75Å; F333-Y338 HydrophobicContact CE1-CD1 4.2Å; F333-Y338 AromaticContact CE1-CG 3.92Å; F333-Y338 HydrophobicContact CE1-CG 3.92Å; F333-Y338 HydrophobicContact CZ-CD1 4.45Å; F333-Y338 HydrophobicContact CZ-CD2 4.16Å; F333-Y338 AromaticContact CZ-CG 3.93Å; F333-Y338 HydrophobicContact CZ-CG 3.93Å; D334-Y338 WeakPolarHBondContact O-CB 3.5Å; D334-Y338 PolarHBondContact O-N 2.76Å; L336-Y338 VanDerWaalsContact C-N 3.26Å; L336-Y338 PolarHBondContact O-N 3.32Å; Y338-V340 PolarHBondContact O-N 3.15Å; Y338-L341 PolarHBondContact O-N 2.85Å; Y338-R342 HydrophobicContact CD1-CG 4.45Å; Y338-R342 HydrophobicContact CE1-CG 4.13Å; Y338-R342 HydrophobicContact CE2-CG 4.27Å; Y338-R342 WeakPolarHBondContact O-CG 3.17Å; Y338-R342 PolarHBondContact O-N 3.15Å; Y338-R342 PolarHBondContact OH-NH1 3.23Å
339	A	93.4	Very high	90.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.5	-46.8	175.4	0	0	0	0	0	112	A322 L323 F335 L336 G337 L341 R342 F343	A322-A339 HydrophobicContact CB-CB 3.78Å; L323-A339 HydrophobicContact CD2-CB 3.61Å; L323-A339 HydrophobicContact CG-CB 3.82Å; F335-A339 WeakPolarHBondContact O-CB 3.26Å; F335-A339 PolarHBondContact O-N 3.21Å; L336-A339 WeakPolarHBondContact O-CB 3.49Å; L336-A339 PolarHBondContact O-N 3.45Å; L336-A339 VanDerWaalsContact O-N 3.15Å; G337-A339 PolarHBondContact O-N 3.07Å; A339-L341 VanDerWaalsContact C-N 3.35Å; A339-L341 PolarHBondContact O-N 2.89Å; A339-R342 PolarHBondContact O-N 2.91Å; A339-F343 HydrophobicContact CB-CE2 4.29Å; A339-F343 WeakPolarHBondContact O-CD2 3.44Å; A339-F343 PolarHBondContact O-N 3.02Å
340	V	92.5	Very high	91.3	Very high	13 Å²	13	47.7 Å²	47.7	8%	0.079	25%	0.25	C	S	.	.	H	α-helix	trans	-59	-46	177.5	172.5	0	0	0	0	110.7	E187 V188 L336 G337 Y338 R342 F343 N344	E187-V340 HydrophobicContact CB-CG1 4.08Å; E187-V340 HydrophobicContact CB-CG2 3.61Å; V188-V340 HydrophobicContact CG2-CG2 3.73Å; L336-V340 WeakPolarHBondContact O-CG2 3.47Å; L336-V340 PolarHBondContact O-N 3.41Å; G337-V340 PolarHBondContact O-N 2.89Å; Y338-V340 PolarHBondContact O-N 3.15Å; V340-R342 VanDerWaalsContact C-N 3.33Å; V340-R342 PolarHBondContact O-N 3.28Å; V340-F343 PolarHBondContact O-N 3.49Å; V340-N344 WeakPolarHBondContact CG1-ND2 3.17Å; V340-N344 VanDerWaalsContact O-CB 3.31Å; V340-N344 WeakPolarHBondContact O-CB 3.41Å; V340-N344 VanDerWaalsContact O-CG 3.25Å; V340-N344 PolarHBondContact O-N 3.06Å
341	L	94.1	Very high	92.4	Very high	82 Å²	82	46.7 Å²	46.7	43%	0.429	24%	0.242	S	C	.	.	H	α-helix	trans	-60.3	-40.1	177.9	-71.3	166	0	0	0	112.5	L263 Y265 G337 Y338 A339 Q345	L263-L341 HydrophobicContact CD2-CB 3.78Å; L263-L341 HydrophobicContact CD2-CD1 3.74Å; L263-L341 HydrophobicContact CD2-CD2 4.34Å; L263-L341 HydrophobicContact CD2-CG 4.16Å; Y265-L341 PolarHBondContact OH-O 2.85Å; Y265-L341 VanDerWaalsContact OH-O 3.05Å; G337-L341 VanDerWaalsContact O-CG 3.32Å; G337-L341 WeakPolarHBondContact O-CG 3.44Å; G337-L341 PolarHBondContact O-N 3.1Å; Y338-L341 PolarHBondContact O-N 2.85Å; A339-L341 VanDerWaalsContact C-N 3.35Å; A339-L341 PolarHBondContact O-N 2.89Å; L341-Q345 WeakPolarHBondContact O-CB 3.41Å; L341-Q345 PolarHBondContact O-N 3.07Å; L341-Q345 VanDerWaalsContact O-N 3.12Å
342	R	96.3	Very high	93.4	Very high	3 Å²	3	49 Å²	49	1%	0.011	26%	0.259	C	S	.	.	H	α-helix	trans	-69	-45.6	177.6	-61.6	-68.6	-74.7	-141.2	10.7	111.3	E256 S314 H315 Y338 A339 V340 Q345 Y346	E256-R342 IonicContact OE1-CZ 3.97Å; E256-R342 IonicContact OE1-NH1 3.22Å; E256-R342 PolarHBondContact OE1-NH1 3.5Å; E256-R342 VanDerWaalsContact OE1-NH1 3.1Å; E256-R342 IonicContact OE1-NH2 3.95Å; S314-R342 PolarHBondContact O-NH2 3.22Å; S314-R342 PolarHBondContact OG-NH2 3.38Å; H315-R342 WeakPolarHBondContact CB-O 3.17Å; H315-R342 WeakPolarHBondContact O-CB 3.47Å; Y338-R342 HydrophobicContact CD1-CG 4.45Å; Y338-R342 HydrophobicContact CE1-CG 4.13Å; Y338-R342 HydrophobicContact CE2-CG 4.27Å; Y338-R342 WeakPolarHBondContact O-CG 3.17Å; Y338-R342 PolarHBondContact O-N 3.15Å; Y338-R342 PolarHBondContact OH-NH1 3.23Å; A339-R342 PolarHBondContact O-N 2.91Å; V340-R342 VanDerWaalsContact C-N 3.33Å; V340-R342 PolarHBondContact O-N 3.28Å; R342-Q345 PolarHBondContact O-N 2.92Å; R342-Y346 PolarHBondContact O-N 3.1Å
343	F	96.4	Very high	94	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.5	-42.1	178	-68.2	-54.3	0	0	0	112.6	V188 P189 L194 F316 F320 L323 A339 V340 Q345 Y346 F347	V188-F343 HydrophobicContact CG1-CD2 4.26Å; V188-F343 HydrophobicContact CG1-CE2 4.19Å; P189-F343 HydrophobicContact CG-CB 4.19Å; L194-F343 HydrophobicContact CD1-CZ 4.32Å; L194-F343 HydrophobicContact CD2-CD1 3.76Å; L194-F343 HydrophobicContact CD2-CE1 3.58Å; L194-F343 HydrophobicContact CD2-CE2 4.42Å; L194-F343 HydrophobicContact CD2-CG 4.27Å; L194-F343 HydrophobicContact CD2-CZ 3.94Å; F316-F343 HydrophobicContact CD1-CE1 4.1Å; F316-F343 AromaticContact CD2-CD1 3.95Å; F316-F343 HydrophobicContact CD2-CD1 3.95Å; F316-F343 HydrophobicContact CD2-CE1 4.16Å; F316-F343 HydrophobicContact CE1-CD1 4.49Å; F316-F343 HydrophobicContact CE1-CE1 4.22Å; F316-F343 AromaticContact CE2-CD1 3.77Å; F316-F343 HydrophobicContact CE2-CD1 3.77Å; F316-F343 HydrophobicContact CE2-CE1 4.21Å; F316-F343 HydrophobicContact CG-CD1 4.34Å; F316-F343 HydrophobicContact CG-CE1 4.08Å; F316-F343 HydrophobicContact CZ-CD1 4.09Å; F316-F343 HydrophobicContact CZ-CE1 4.28Å; F320-F343 HydrophobicContact CD1-CE1 4.38Å; F320-F343 AromaticContact CD1-CZ 3.83Å; F320-F343 HydrophobicContact CD1-CZ 3.83Å; F320-F343 HydrophobicContact CE1-CE1 4.24Å; F320-F343 AromaticContact CE1-CZ 3.98Å; F320-F343 HydrophobicContact CE1-CZ 3.98Å; L323-F343 HydrophobicContact CD1-CE2 3.84Å; L323-F343 HydrophobicContact CD1-CZ 4.21Å; L323-F343 HydrophobicContact CG-CE2 4.25Å; A339-F343 HydrophobicContact CB-CE2 4.29Å; A339-F343 WeakPolarHBondContact O-CD2 3.44Å; A339-F343 PolarHBondContact O-N 3.02Å; V340-F343 PolarHBondContact O-N 3.49Å; F343-Q345 VanDerWaalsContact C-N 3.32Å; F343-Q345 PolarHBondContact O-N 3.41Å; F343-Y346 WeakPolarHBondContact O-CB 3.36Å; F343-Y346 PolarHBondContact O-N 3.06Å; F343-F347 WeakPolarHBondContact O-CD2 3.28Å; F343-F347 PolarHBondContact O-N 3.33Å; F343-F347 VanDerWaalsContact O-N 3.11Å
344	N	95.4	Very high	94.4	Very high	86 Å²	86	40.1 Å²	40.1	46%	0.46	21%	0.214	S	C	.	.	H	α-helix	trans	-60.9	-43.3	177.1	-74.7	-12.6	0	0	0	111.3	V340 Y346 F347 H348	V340-N344 WeakPolarHBondContact CG1-ND2 3.17Å; V340-N344 VanDerWaalsContact O-CB 3.31Å; V340-N344 WeakPolarHBondContact O-CB 3.41Å; V340-N344 VanDerWaalsContact O-CG 3.25Å; V340-N344 PolarHBondContact O-N 3.06Å; N344-Y346 VanDerWaalsContact C-N 3.34Å; N344-Y346 PolarHBondContact O-N 3.4Å; N344-F347 PolarHBondContact O-N 3.25Å; N344-H348 WeakPolarHBondContact O-CB 3.47Å; N344-H348 PolarHBondContact O-N 2.77Å
345	Q	97.3	Very high	94.8	Very high	30 Å²	30	39.6 Å²	39.6	14%	0.14	22%	0.221	C	C	.	.	H	α-helix	trans	-63.2	-41.1	177.2	-173.3	64	2	0	0	112.2	Y265 H315 L341 R342 F343 F347 H348 I349	Y265-Q345 HydrophobicContact CD1-CG 3.79Å; Y265-Q345 HydrophobicContact CD2-CB 4.17Å; Y265-Q345 HydrophobicContact CD2-CG 3.98Å; Y265-Q345 HydrophobicContact CE1-CB 4.05Å; Y265-Q345 HydrophobicContact CE1-CG 3.63Å; Y265-Q345 HydrophobicContact CE2-CB 3.57Å; Y265-Q345 HydrophobicContact CE2-CG 3.8Å; Y265-Q345 HydrophobicContact CG-CG 3.96Å; Y265-Q345 VanDerWaalsContact CZ-CB 3.48Å; H315-Q345 WeakPolarHBondContact NE2-CG 3.43Å; L341-Q345 WeakPolarHBondContact O-CB 3.41Å; L341-Q345 PolarHBondContact O-N 3.07Å; L341-Q345 VanDerWaalsContact O-N 3.12Å; R342-Q345 PolarHBondContact O-N 2.92Å; F343-Q345 VanDerWaalsContact C-N 3.32Å; F343-Q345 PolarHBondContact O-N 3.41Å; Q345-F347 PolarHBondContact O-N 2.83Å; Q345-H348 PolarHBondContact O-N 3.16Å; Q345-I349 HydrophobicContact CG-CG2 4.39Å; Q345-I349 VanDerWaalsContact NE2-CG2 3.3Å; Q345-I349 WeakPolarHBondContact O-CG1 3.5Å; Q345-I349 PolarHBondContact O-N 3.06Å
346	Y	97.9	Very high	95.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-52.8	-54.2	172.4	168.1	-89.1	0	0	0	111.8	E197 W200 M201 L312 F316 R342 F343 N344 H348 I349 K350	E197-Y346 HydrophobicContact CB-CE1 4.41Å; E197-Y346 HydrophobicContact CG-CE1 4.31Å; E197-Y346 VanDerWaalsContact OE2-CE1 3.28Å; E197-Y346 WeakPolarHBondContact OE2-CE1 3.35Å; E197-Y346 VanDerWaalsContact OE2-CZ 3.26Å; E197-Y346 PolarHBondContact OE2-OH 3.33Å; W200-Y346 WeakPolarHBondContact CZ3-OH 3.17Å; M201-Y346 HydrophobicContact CE-CE2 4.4Å; M201-Y346 HydrophobicContact CG-CE2 4.09Å; M201-Y346 HydrophobicContact SD-CD2 4.37Å; M201-Y346 HydrophobicContact SD-CE2 3.53Å; M201-Y346 VanDerWaalsContact SD-CE2 3.53Å; L312-Y346 HydrophobicContact CB-CD2 3.73Å; L312-Y346 HydrophobicContact CB-CE2 3.7Å; L312-Y346 HydrophobicContact CD1-CE2 4.45Å; L312-Y346 HydrophobicContact CD2-CD2 3.73Å; L312-Y346 HydrophobicContact CD2-CE2 4.07Å; L312-Y346 HydrophobicContact CD2-CG 4.42Å; L312-Y346 HydrophobicContact CG-CD2 4.3Å; L312-Y346 HydrophobicContact CG-CE2 4.3Å; L312-Y346 WeakPolarHBondContact O-CD2 3.24Å; F316-Y346 AromaticContact CD2-CD1 3.93Å; F316-Y346 HydrophobicContact CD2-CD1 3.93Å; F316-Y346 AromaticContact CD2-CD2 3.49Å; F316-Y346 HydrophobicContact CD2-CD2 3.49Å; F316-Y346 VanDerWaalsContact CD2-CD2 3.49Å; F316-Y346 HydrophobicContact CD2-CE1 4.24Å; F316-Y346 AromaticContact CD2-CE2 3.83Å; F316-Y346 HydrophobicContact CD2-CE2 3.83Å; F316-Y346 AromaticContact CD2-CG 3.53Å; F316-Y346 HydrophobicContact CD2-CG 3.53Å; F316-Y346 AromaticContact CE2-CD1 3.23Å; F316-Y346 HydrophobicContact CE2-CD1 3.23Å; F316-Y346 AromaticContact CE2-CD2 3.69Å; F316-Y346 HydrophobicContact CE2-CD2 3.69Å; F316-Y346 AromaticContact CE2-CE1 3.45Å; F316-Y346 HydrophobicContact CE2-CE1 3.45Å; F316-Y346 VanDerWaalsContact CE2-CE1 3.45Å; F316-Y346 AromaticContact CE2-CE2 3.89Å; F316-Y346 HydrophobicContact CE2-CE2 3.89Å; F316-Y346 AromaticContact CE2-CG 3.34Å; F316-Y346 HydrophobicContact CE2-CG 3.34Å; F316-Y346 AromaticContact CE2-CZ 3.78Å; F316-Y346 HydrophobicContact CZ-CD1 4.13Å; F316-Y346 AromaticContact CZ-CE1 3.99Å; F316-Y346 HydrophobicContact CZ-CE1 3.99Å; R342-Y346 PolarHBondContact O-N 3.1Å; F343-Y346 WeakPolarHBondContact O-CB 3.36Å; F343-Y346 PolarHBondContact O-N 3.06Å; N344-Y346 VanDerWaalsContact C-N 3.34Å; N344-Y346 PolarHBondContact O-N 3.4Å; Y346-H348 VanDerWaalsContact C-N 3.29Å; Y346-H348 PolarHBondContact O-N 3.43Å; Y346-I349 PolarHBondContact O-N 3.37Å; Y346-K350 HydrophobicContact CE1-CD 3.87Å; Y346-K350 WeakPolarHBondContact O-CB 3.36Å; Y346-K350 PolarHBondContact O-N 2.77Å
347	F	97.7	Very high	95.4	Very high	69 Å²	69	47.6 Å²	47.6	30%	0.303	26%	0.259	S	S	.	.	H	α-helix	trans	-67.1	-33.8	-176.9	-74.8	-70.2	0	0	0	112	P189 V193 E197 F316 F343 N344 Q345 P351	P189-F347 HydrophobicContact CB-CE2 4.31Å; P189-F347 HydrophobicContact CG-CD2 4.47Å; P189-F347 HydrophobicContact CG-CE2 3.68Å; P189-F347 HydrophobicContact CG-CZ 4.47Å; V193-F347 HydrophobicContact CG1-CZ 3.88Å; E197-F347 HydrophobicContact CG-CE1 3.89Å; E197-F347 HydrophobicContact CG-CZ 3.89Å; F316-F347 HydrophobicContact CZ-CZ 4.43Å; F343-F347 WeakPolarHBondContact O-CD2 3.28Å; F343-F347 PolarHBondContact O-N 3.33Å; F343-F347 VanDerWaalsContact O-N 3.11Å; N344-F347 PolarHBondContact O-N 3.25Å; Q345-F347 PolarHBondContact O-N 2.83Å; F347-P351 WeakPolarHBondContact O-CD 3.41Å
348	H	97.1	Very high	95.6	Very high	138 Å²	138	50.1 Å²	50.1	64%	0.639	27%	0.269	S	S	*	.	H	α-helix	trans	-63.1	-47.7	176.6	179.7	61.8	0	0	0	112.2	N344 Q345 Y346	N344-H348 WeakPolarHBondContact O-CB 3.47Å; N344-H348 PolarHBondContact O-N 2.77Å; Q345-H348 PolarHBondContact O-N 3.16Å; Y346-H348 VanDerWaalsContact C-N 3.29Å; Y346-H348 PolarHBondContact O-N 3.43Å
349	I	96.9	Very high	95.5	Very high	27 Å²	27	51.9 Å²	51.9	14%	0.138	28%	0.282	C	S	.	.	H	α-helix	trans	-89.4	-19.4	-174.1	74.3	-176.5	0	0	0	113.7	L312 Q345 Y346 T352 V353	L312-I349 HydrophobicContact CD2-CD1 3.95Å; L312-I349 HydrophobicContact CD2-CG1 3.5Å; L312-I349 VanDerWaalsContact CD2-CG1 3.5Å; Q345-I349 HydrophobicContact CG-CG2 4.39Å; Q345-I349 VanDerWaalsContact NE2-CG2 3.3Å; Q345-I349 WeakPolarHBondContact O-CG1 3.5Å; Q345-I349 PolarHBondContact O-N 3.06Å; Y346-I349 PolarHBondContact O-N 3.37Å; I349-T352 PolarHBondContact O-N 3.29Å; I349-T352 VanDerWaalsContact O-N 3.16Å; I349-V353 HydrophobicContact CB-CG2 4.25Å; I349-V353 HydrophobicContact CD1-CG2 4.49Å; I349-V353 HydrophobicContact CG1-CG2 4.21Å; I349-V353 WeakPolarHBondContact O-CB 3.48Å; I349-V353 WeakPolarHBondContact O-CG2 3.42Å; I349-V353 PolarHBondContact O-N 2.89Å
350	K	97.9	Very high	94.8	Very high	36 Å²	36	62.7 Å²	62.7	16%	0.157	33%	0.333	C	S	.	.	H	α-helix	trans	-48.7	-48	-177.9	177.4	-178.8	179.3	-179.3	0	113.3	E197 W200 L312 Y346 T352 M354	E197-K350 IonicContact OE1-NZ 3.81Å; E197-K350 PolarHBondContact OE1-NZ 3.41Å; E197-K350 IonicContact OE2-NZ 3.92Å; E197-K350 PolarHBondContact OE2-NZ 3.44Å; W200-K350 HydrophobicContact CH2-CD 4.45Å; W200-K350 HydrophobicContact CH2-CG 4.43Å; W200-K350 HydrophobicContact CZ3-CD 4.33Å; L312-K350 HydrophobicContact CD1-CG 4.46Å; L312-K350 HydrophobicContact CD2-CB 4.12Å; Y346-K350 HydrophobicContact CE1-CD 3.87Å; Y346-K350 WeakPolarHBondContact O-CB 3.36Å; Y346-K350 PolarHBondContact O-N 2.77Å; K350-T352 PolarHBondContact O-N 3.5Å; K350-M354 HydrophobicContact CG-CG 4.18Å; K350-M354 VanDerWaalsContact O-CB 3.24Å; K350-M354 WeakPolarHBondContact O-CB 3.41Å; K350-M354 WeakPolarHBondContact O-CG 3.15Å; K350-M354 PolarHBondContact O-N 3.21Å
351	P	97.8	Very high	94.9	Very high	89 Å²	89	65.2 Å²	65.2	58%	0.578	35%	0.345	S	S	*	.	H	α-helix	trans	-60.1	-46.6	-179.7	-23.9	34.9	0	0	0	113	F347 M354 A355	F347-P351 WeakPolarHBondContact O-CD 3.41Å; P351-M354 PolarHBondContact O-N 2.89Å; P351-A355 PolarHBondContact O-N 2.8Å
352	T	95.9	Very high	95	Very high	105 Å²	105	64.3 Å²	64.3	64%	0.644	34%	0.341	S	S	*	.	H	α-helix	trans	-66.1	-46.3	-178.7	-55	0	0	0	0	111.5	I349 K350 M354 A355	I349-T352 PolarHBondContact O-N 3.29Å; I349-T352 VanDerWaalsContact O-N 3.16Å; K350-T352 PolarHBondContact O-N 3.5Å; T352-M354 VanDerWaalsContact C-N 3.28Å; T352-M354 PolarHBondContact O-N 3.29Å; T352-A355 WeakPolarHBondContact O-CB 3.36Å; T352-A355 PolarHBondContact O-N 3.13Å
353	V	94.9	Very high	94.9	Very high	13 Å²	13	67.7 Å²	67.7	8%	0.079	36%	0.359	C	S	.	.	H	α-helix	trans	-66.2	-33.3	179.3	170.6	0	0	0	0	111.3	N308 K309 L312 I349 A355 L356	N308-V353 VanDerWaalsContact C-CG1 3.47Å; N308-V353 HydrophobicContact CB-CG1 4.31Å; N308-V353 WeakPolarHBondContact O-CG1 3.33Å; K309-V353 VanDerWaalsContact CA-CG1 3.49Å; K309-V353 HydrophobicContact CB-CG1 4.24Å; K309-V353 WeakPolarHBondContact CE-O 3.3Å; K309-V353 HydrophobicContact CG-CG1 3.79Å; L312-V353 HydrophobicContact CD1-CB 4.37Å; L312-V353 HydrophobicContact CD1-CG1 3.88Å; L312-V353 HydrophobicContact CG-CG1 4.13Å; I349-V353 HydrophobicContact CB-CG2 4.25Å; I349-V353 HydrophobicContact CD1-CG2 4.49Å; I349-V353 HydrophobicContact CG1-CG2 4.21Å; I349-V353 WeakPolarHBondContact O-CB 3.48Å; I349-V353 WeakPolarHBondContact O-CG2 3.42Å; I349-V353 PolarHBondContact O-N 2.89Å; V353-A355 VanDerWaalsContact C-N 3.34Å; V353-L356 WeakPolarHBondContact O-CB 3.34Å; V353-L356 PolarHBondContact O-N 2.95Å
354	M	92.6	Very high	94.8	Very high	35 Å²	35	71.7 Å²	71.7	17%	0.172	38%	0.38	C	S	.	.	H	α-helix	trans	-73.2	-24.5	176.9	-76.5	-56.5	107.2	0	0	114.3	W200 H204 K309 L312 K350 P351 T352 L356	W200-M354 HydrophobicContact CH2-CE 3.88Å; W200-M354 HydrophobicContact CH2-CG 3.81Å; W200-M354 HydrophobicContact CH2-SD 3.39Å; W200-M354 WeakPolarHBondContact CH2-SD 3.33Å; W200-M354 HydrophobicContact CZ2-CG 4.05Å; W200-M354 HydrophobicContact CZ2-SD 3.59Å; W200-M354 VanDerWaalsContact CZ2-SD 3.59Å; H204-M354 VanDerWaalsContact CD2-SD 3.57Å; H204-M354 PolarHBondContact NE2-SD 2.78Å; K309-M354 HydrophobicContact CB-CE 4.07Å; K309-M354 HydrophobicContact CD-CE 3.71Å; K309-M354 HydrophobicContact CG-CE 3.58Å; L312-M354 HydrophobicContact CD1-CE 3.61Å; K350-M354 HydrophobicContact CG-CG 4.18Å; K350-M354 VanDerWaalsContact O-CB 3.24Å; K350-M354 WeakPolarHBondContact O-CB 3.41Å; K350-M354 WeakPolarHBondContact O-CG 3.15Å; K350-M354 PolarHBondContact O-N 3.21Å; P351-M354 PolarHBondContact O-N 2.89Å; T352-M354 VanDerWaalsContact C-N 3.28Å; T352-M354 PolarHBondContact O-N 3.29Å; M354-L356 PolarHBondContact O-N 2.7Å
355	A	96.6	Very high	94.8	Very high	72 Å²	72	70.8 Å²	70.8	60%	0.595	38%	0.375	S	S	*	.	H	α-helix	trans	-67.6	-20.6	173.8	0	0	0	0	0	112.9	P351 T352 V353 Q357	P351-A355 PolarHBondContact O-N 2.8Å; T352-A355 WeakPolarHBondContact O-CB 3.36Å; T352-A355 PolarHBondContact O-N 3.13Å; V353-A355 VanDerWaalsContact C-N 3.34Å; A355-Q357 PolarHBondContact O-N 3.27Å
356	L	96.3	Very high	94.6	Very high	43 Å²	43	73.5 Å²	73.5	23%	0.225	39%	0.391	C	S	.	.			trans	-64.7	132.2	176.2	-60.5	177.2	0	0	0	111.2	Y304 V305 N308 K309 V353 M354	Y304-L356 HydrophobicContact CE1-CD1 4.14Å; Y304-L356 HydrophobicContact CE1-CD2 4.08Å; V305-L356 HydrophobicContact CG1-CB 4.05Å; V305-L356 HydrophobicContact CG2-CB 4.25Å; N308-L356 HydrophobicContact CB-CD1 3.76Å; K309-L356 WeakPolarHBondContact CE-O 3.45Å; K309-L356 PolarHBondContact NZ-O 2.97Å; V353-L356 WeakPolarHBondContact O-CB 3.34Å; V353-L356 PolarHBondContact O-N 2.95Å; M354-L356 PolarHBondContact O-N 2.7Å
357	Q	95.1	Very high	94.4	Very high	141 Å²	141	78.8 Å²	78.8	66%	0.659	42%	0.419	S	S	*	.			trans	-118	138	179.3	-60.3	-58	-30.3	0	0	110.5	V305 A355	V305-Q357 WeakPolarHBondContact CG2-O 3.29Å; A355-Q357 PolarHBondContact O-N 3.27Å
358	I	92.8	Very high	94.1	Very high	63 Å²	63	79.5 Å²	79.5	32%	0.323	43%	0.428	S	S	.	.			trans	-65.8	132.5	169.9	-65.7	177.4	0	0	0	107.2	L208 T302 V305	L208-I358 HydrophobicContact CD2-CD1 4.1Å; T302-I358 HydrophobicContact CG2-CD1 4.4Å; T302-I358 HydrophobicContact CG2-CG2 3.97Å; V305-I358 HydrophobicContact CB-CG1 4.13Å; V305-I358 HydrophobicContact CG1-CG1 3.8Å
359	P	90.7	Very high	93.8	Very high	45 Å²	45	74.7 Å²	74.7	29%	0.292	41%	0.41	S	S	.	.			trans	-62.4	141.6	177.1	26	-35.3	0	0	0	111.9	R298 E301	R298-P359 HydrophobicContact CG-CG 4.12Å; E301-P359 HydrophobicContact CB-CG 3.88Å
360	E	78.7	Confident	93.6	Very high	227 Å²	227	79 Å²	79	100%	1.061	44%	0.435	S	S	*	.			trans	-59.8	0	-179.9	-68.4	-174	172.5	0	0	114.4	R298	R298-E360 VanDerWaalsContact CZ-C 3.41Å; R298-E360 VanDerWaalsContact CZ-O 3.27Å; R298-E360 PolarHBondContact NH1-O 2.78Å; R298-E360 PolarHBondContact NH1-OXT 3.2Å; R298-E360 VanDerWaalsContact NH2-C 3.31Å; R298-E360 PolarHBondContact NH2-OXT 3.35Å

Retrieved 360 of 360 residues in 365.1 ms (Link to these results)

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