A0A5K4F0B1_SCHMA Loading...

Transmembrane 9 superfamily member

AlphaFold DB , UniProt , Accession A0A5K4F0B1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 633 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	50	Low	63.2	Low	220 Å²	220	120.8 Å²	120.8	100%	1.084	66%	0.657	S	S	*	*				0	-55.8	0	-93.3	-175.6	159.7	0	0	113.1	A3 F4 G5	M1-A3 PolarHBondContact O-N 2.95Å; M1-F4 PolarHBondContact O-N 2.61Å; M1-F4 VanDerWaalsContact O-N 3.14Å; M1-G5 PolarHBondContact O-N 2.81Å; M1-G5 VanDerWaalsContact O-N 3.14Å
2	L	55.8	Low	62.8	Low	164 Å²	164	125.2 Å²	125.2	86%	0.859	67%	0.665	S	S	*	*	H	α-helix	trans	-58.8	-40.7	179.4	-87.8	152.2	0	0	0	114.6	F4 G5 L6	L2-F4 VanDerWaalsContact C-N 3.3Å; L2-F4 PolarHBondContact O-N 2.95Å; L2-G5 PolarHBondContact O-N 2.89Å; L2-L6 PolarHBondContact O-N 3.44Å
3	A	62.4	Low	62.5	Low	74 Å²	74	122.5 Å²	122.5	61%	0.612	66%	0.656	S	S	*	*	H	α-helix	trans	-66	-31	176.6	0	0	0	0	0	113.5	M1 L7	M1-A3 PolarHBondContact O-N 2.95Å; A3-L7 PolarHBondContact O-N 2.86Å
4	F	62.5	Low	62.1	Low	150 Å²	150	120.9 Å²	120.9	66%	0.658	66%	0.659	S	S	*	*	H	α-helix	trans	-76.1	-36	179.3	-136.5	-90.5	0	0	0	111.3	M1 L2 L6 L7 I8	M1-F4 PolarHBondContact O-N 2.61Å; M1-F4 VanDerWaalsContact O-N 3.14Å; L2-F4 VanDerWaalsContact C-N 3.3Å; L2-F4 PolarHBondContact O-N 2.95Å; F4-L6 VanDerWaalsContact C-N 3.34Å; F4-L7 PolarHBondContact O-N 3.06Å; F4-I8 HydrophobicContact CD1-CD1 3.99Å; F4-I8 HydrophobicContact CD1-CG1 4.5Å; F4-I8 HydrophobicContact CE1-CD1 4.48Å; F4-I8 WeakPolarHBondContact O-CG1 3.41Å; F4-I8 PolarHBondContact O-N 3.05Å; F4-I8 VanDerWaalsContact O-N 3.11Å
5	G	66.1	Low	61.7	Low	43 Å²	43	121.7 Å²	121.7	44%	0.443	67%	0.67	S	S	.	*	H	α-helix	trans	-65.3	-36	173.2	0	0	0	0	0	113	M1 L2 F9	M1-G5 PolarHBondContact O-N 2.81Å; M1-G5 VanDerWaalsContact O-N 3.14Å; L2-G5 PolarHBondContact O-N 2.89Å; G5-F9 WeakPolarHBondContact O-CB 3.17Å; G5-F9 PolarHBondContact O-N 3.19Å
6	L	65.9	Low	61	Low	115 Å²	115	123.6 Å²	123.6	60%	0.602	68%	0.679	S	S	*	*	H	α-helix	trans	-70.4	-38.4	178.7	-135.7	146.8	0	0	0	111.8	L2 F4 F9 I10	L2-L6 PolarHBondContact O-N 3.44Å; F4-L6 VanDerWaalsContact C-N 3.34Å; L6-F9 PolarHBondContact O-N 3.39Å; L6-I10 HydrophobicContact CD2-CD1 3.81Å; L6-I10 HydrophobicContact CD2-CG1 4.45Å; L6-I10 WeakPolarHBondContact O-CD1 3.4Å; L6-I10 VanDerWaalsContact O-CG1 3.27Å; L6-I10 WeakPolarHBondContact O-CG1 3.21Å; L6-I10 PolarHBondContact O-N 2.77Å
7	L	66.4	Low	60.4	Low	108 Å²	108	126.2 Å²	126.2	57%	0.565	69%	0.685	S	S	*	*	H	α-helix	trans	-65.5	-43.3	173.4	-86.4	160.7	0	0	0	112.5	A3 F4 F9 I10 S11	A3-L7 PolarHBondContact O-N 2.86Å; F4-L7 PolarHBondContact O-N 3.06Å; L7-F9 VanDerWaalsContact C-N 3.3Å; L7-F9 PolarHBondContact O-N 3.11Å; L7-I10 PolarHBondContact O-N 3.16Å; L7-S11 PolarHBondContact O-N 2.86Å; L7-S11 PolarHBondContact O-OG 3.37Å
8	I	70	Confident	59.9	Low	91 Å²	91	124.7 Å²	124.7	47%	0.467	69%	0.693	S	S	.	*	H	α-helix	trans	-62.7	-39.7	175.9	-66.9	167.2	0	0	0	110.8	F4 S11 F12	F4-I8 HydrophobicContact CD1-CD1 3.99Å; F4-I8 HydrophobicContact CD1-CG1 4.5Å; F4-I8 HydrophobicContact CE1-CD1 4.48Å; F4-I8 WeakPolarHBondContact O-CG1 3.41Å; F4-I8 PolarHBondContact O-N 3.05Å; F4-I8 VanDerWaalsContact O-N 3.11Å; I8-S11 PolarHBondContact O-N 2.97Å; I8-F12 HydrophobicContact CG2-CD2 4.17Å; I8-F12 HydrophobicContact CG2-CE2 4.35Å; I8-F12 PolarHBondContact O-N 3.1Å
9	F	64.7	Low	59.4	Low	158 Å²	158	124.6 Å²	124.6	69%	0.693	70%	0.695	S	S	*	*	H	α-helix	trans	-65.1	-39.8	177.3	-158.2	-94.4	0	0	0	112	G5 L6 L7 F12	G5-F9 WeakPolarHBondContact O-CB 3.17Å; G5-F9 PolarHBondContact O-N 3.19Å; L6-F9 PolarHBondContact O-N 3.39Å; L7-F9 VanDerWaalsContact C-N 3.3Å; L7-F9 PolarHBondContact O-N 3.11Å; F9-F12 PolarHBondContact O-N 3.3Å
10	I	64.8	Low	58.8	Low	105 Å²	105	122.5 Å²	122.5	54%	0.538	69%	0.689	S	S	.	*	H	α-helix	trans	-66.6	-37	175.6	-66.6	164.4	0	0	0	111.1	L6 L7 F12 V13	L6-I10 HydrophobicContact CD2-CD1 3.81Å; L6-I10 HydrophobicContact CD2-CG1 4.45Å; L6-I10 WeakPolarHBondContact O-CD1 3.4Å; L6-I10 VanDerWaalsContact O-CG1 3.27Å; L6-I10 WeakPolarHBondContact O-CG1 3.21Å; L6-I10 PolarHBondContact O-N 2.77Å; L7-I10 PolarHBondContact O-N 3.16Å; I10-F12 VanDerWaalsContact C-N 3.27Å; I10-F12 PolarHBondContact O-N 2.97Å; I10-V13 PolarHBondContact O-N 3.04Å
11	S	66.3	Low	58.5	Low	101 Å²	101	120 Å²	120	71%	0.706	68%	0.677	S	S	*	*	H	α-helix	trans	-68.7	-22.1	177.8	-55.2	0	0	0	0	114.1	L7 I8	L7-S11 PolarHBondContact O-N 2.86Å; L7-S11 PolarHBondContact O-OG 3.37Å; I8-S11 PolarHBondContact O-N 2.97Å
12	F	58.5	Low	58.7	Low	173 Å²	173	114.5 Å²	114.5	76%	0.759	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-9.9	176.2	-96.3	-84.8	0	0	0	113.9	I8 F9 I10 S14	I8-F12 HydrophobicContact CG2-CD2 4.17Å; I8-F12 HydrophobicContact CG2-CE2 4.35Å; I8-F12 PolarHBondContact O-N 3.1Å; F9-F12 PolarHBondContact O-N 3.3Å; I10-F12 VanDerWaalsContact C-N 3.27Å; I10-F12 PolarHBondContact O-N 2.97Å; F12-S14 PolarHBondContact O-N 3.41Å; F12-S14 VanDerWaalsContact O-N 3.08Å
13	V	58.7	Low	58.9	Low	90 Å²	90	107.7 Å²	107.7	55%	0.545	63%	0.627	S	S	.	*	S	Bend	trans	-80.9	92.6	173.3	-176	0	0	0	0	108	I10 T15	I10-V13 PolarHBondContact O-N 3.04Å; V13-T15 PolarHBondContact O-N 3.35Å
14	S	57.4	Low	59.2	Low	100 Å²	100	108 Å²	108	70%	0.699	62%	0.621	S	S	*	*			trans	-47.7	118.7	167	46.5	0	0	0	0	110.5	F12 N16	F12-S14 PolarHBondContact O-N 3.41Å; F12-S14 VanDerWaalsContact O-N 3.08Å; S14-N16 PolarHBondContact O-N 2.87Å
15	T	55.9	Low	59.8	Low	133 Å²	133	104.1 Å²	104.1	82%	0.816	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	17.8	-174.5	50.9	0	0	0	0	115.1	V13	V13-T15 PolarHBondContact O-N 3.35Å
16	N	50.8	Low	60.5	Low	153 Å²	153	104.1 Å²	104.1	82%	0.818	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	0.5	-171.6	-78.4	-2	0	0	0	115.6	S14	S14-N16 PolarHBondContact O-N 2.87Å
17	E	51.4	Low	61.4	Low	168 Å²	168	102.5 Å²	102.5	79%	0.785	59%	0.594	S	S	*	*			trans	-101.1	100.3	162.8	-70.9	-171	175.7	0	0	108	V19	E17-V19 VanDerWaalsContact C-N 3.28Å; E17-V19 PolarHBondContact O-N 3.13Å
18	A	50	Low	62.5	Low	99 Å²	99	101.5 Å²	101.5	82%	0.818	59%	0.586	S	S	*	*			trans	-55.9	102.7	159.6	0	0	0	0	0	106.3	S20	A18-S20 VanDerWaalsContact C-N 3.29Å; A18-S20 PolarHBondContact O-N 2.94Å
19	V	50.1	Low	63.6	Low	123 Å²	123	98.8 Å²	98.8	75%	0.745	57%	0.571	S	S	*	*			trans	-64.5	97.2	176.4	177.4	0	0	0	0	106.4	E17 V21	E17-V19 VanDerWaalsContact C-N 3.28Å; E17-V19 PolarHBondContact O-N 3.13Å; V19-V21 PolarHBondContact O-N 2.04Å
20	S	48.3	Very low	64.9	Low	81 Å²	81	95.1 Å²	95.1	57%	0.566	56%	0.559	S	S	*	*			trans	-65.6	102.8	171.1	55.6	0	0	0	0	107.1	A18 P22	A18-S20 VanDerWaalsContact C-N 3.29Å; A18-S20 PolarHBondContact O-N 2.94Å; S20-P22 VanDerWaalsContact O-CD 3.23Å; S20-P22 WeakPolarHBondContact O-CD 3.49Å
21	V	52.7	Low	66.2	Low	71 Å²	71	96.3 Å²	96.3	43%	0.43	56%	0.56	S	S	.	*			trans	-69.7	116.1	174	-176.9	0	0	0	0	107.3	V19 G23 V24	V19-V21 PolarHBondContact O-N 2.04Å; V21-G23 PolarHBondContact O-N 2.9Å; V21-V24 HydrophobicContact CB-CB 4.22Å; V21-V24 HydrophobicContact CB-CG2 3.83Å; V21-V24 HydrophobicContact CG1-CG2 3.74Å; V21-V24 PolarHBondContact O-N 3.32Å; V21-V24 VanDerWaalsContact O-N 3.08Å
22	P	53.6	Low	67.4	Low	104 Å²	104	92.6 Å²	92.6	68%	0.675	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	128.7	-179.5	-23.1	33.4	0	0	0	110.7	S20	S20-P22 VanDerWaalsContact O-CD 3.23Å; S20-P22 WeakPolarHBondContact O-CD 3.49Å
23	G	61.4	Low	69.1	Low	21 Å²	21	87.2 Å²	87.2	22%	0.216	52%	0.517	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	-1.3	-179	0	0	0	0	0	115.9	V21 W241	V21-G23 PolarHBondContact O-N 2.9Å; G23-W241 WeakPolarHBondContact O-CH2 3.25Å
24	V	66.9	Low	70.7	Confident	81 Å²	81	87.7 Å²	87.7	49%	0.491	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-36.7	174.7	-176.5	0	0	0	0	112	V21 W241	V21-V24 HydrophobicContact CB-CB 4.22Å; V21-V24 HydrophobicContact CB-CG2 3.83Å; V21-V24 HydrophobicContact CG1-CG2 3.74Å; V21-V24 PolarHBondContact O-N 3.32Å; V21-V24 VanDerWaalsContact O-N 3.08Å; V24-W241 VanDerWaalsContact O-CZ3 3.3Å; V24-W241 WeakPolarHBondContact O-CZ3 3.36Å
25	T	75.8	Confident	72.3	Confident	69 Å²	69	83.4 Å²	83.4	42%	0.423	49%	0.493	S	S	.	.	S	Bend	trans	-87.7	129.7	179.1	49.7	0	0	0	0	111.1
26	P	81.1	Confident	74	Confident	42 Å²	42	81.2 Å²	81.2	27%	0.273	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-69.5	139.8	175.2	28.8	-33.1	0	0	0	110.9	R181 W241	P26-R181 HydrophobicContact CB-CG 4.46Å; P26-W241 HydrophobicContact CB-CB 4.48Å; P26-W241 HydrophobicContact CB-CD2 3.67Å; P26-W241 HydrophobicContact CB-CE3 4.07Å; P26-W241 HydrophobicContact CB-CG 3.85Å; P26-W241 HydrophobicContact CB-CZ2 4.38Å
27	N	85.6	Confident	76.1	Confident	82 Å²	82	74 Å²	74	44%	0.439	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-81.1	126.5	164.6	-72.7	-27.6	0	0	0	108.8	F29 D128	N27-F29 HydrophobicContact CB-CE2 3.79Å; N27-F29 HydrophobicContact CB-CZ 3.95Å; N27-D128 PolarHBondContact ND2-OD1 3.3Å
28	E	89.3	Confident	78.1	Confident	86 Å²	86	68.7 Å²	68.7	40%	0.402	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.9	178.7	-69.4	-179	171.1	0	0	109.2	H179 R181	E28-H179 HydrophobicContact CB-CB 4.08Å; E28-H179 HydrophobicContact CG-CB 4.28Å; E28-H179 IonicContact OE2-CD2 3.57Å; E28-H179 IonicContact OE2-CG 3.86Å; E28-R181 HydrophobicContact CG-CG 4.29Å; E28-R181 IonicContact OE1-CZ 3.7Å; E28-R181 IonicContact OE1-NE 3.95Å; E28-R181 PolarHBondContact OE1-NE 2.89Å; E28-R181 IonicContact OE1-NH2 2.86Å; E28-R181 PolarHBondContact OE1-NH2 2.94Å
29	F	91.9	Very high	80.3	Confident	34 Å²	34	64 Å²	64	15%	0.149	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	145.8	-179.3	-60.9	-85.1	0	0	0	109.5	N27 D33 I35 M90 Y180 F182	N27-F29 HydrophobicContact CB-CE2 3.79Å; N27-F29 HydrophobicContact CB-CZ 3.95Å; F29-D33 HydrophobicContact CB-CB 4.5Å; F29-D33 HydrophobicContact CD1-CB 4.34Å; F29-I35 HydrophobicContact CD1-CG1 4.49Å; F29-I35 HydrophobicContact CE1-CG1 4.49Å; F29-M90 HydrophobicContact CB-CB 4.33Å; F29-M90 HydrophobicContact CB-CG 3.81Å; F29-M90 HydrophobicContact CB-SD 4.27Å; F29-Y180 PolarHBondContact N-O 3.5Å; F29-Y180 WeakPolarHBondContact O-CB 3.36Å; F29-Y180 PolarHBondContact O-N 3.12Å; F29-F182 HydrophobicContact CE2-CB 4.44Å
30	N	92.8	Very high	82.3	Confident	81 Å²	81	58.8 Å²	58.8	43%	0.433	34%	0.339	S	S	.	.			trans	-92.2	159.2	165.7	-61.3	-41.9	0	0	0	109.8	G32 D33 M90 H179	N30-G32 PolarHBondContact O-N 3.26Å; N30-D33 PolarHBondContact N-OD2 3.14Å; N30-D33 WeakPolarHBondContact O-CB 3.32Å; N30-D33 PolarHBondContact O-N 2.94Å; N30-D33 VanDerWaalsContact O-N 3.16Å; N30-M90 WeakPolarHBondContact O-CB 3.04Å; N30-H179 PolarHBondContact OD1-ND1 2.05Å; N30-H179 VanDerWaalsContact OD1-ND1 3.11Å
31	K	91.7	Very high	84.5	Confident	131 Å²	131	56.6 Å²	56.6	57%	0.57	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	132.2	175	-176	173.7	-177.7	179.3	0	110.2	D33 A91 Y180	K31-D33 VanDerWaalsContact C-N 3.32Å; K31-A91 HydrophobicContact CG-CB 4.32Å; K31-Y180 HydrophobicContact CB-CE2 3.9Å
32	G	92	Very high	86.5	Confident	23 Å²	23	53.2 Å²	53.2	24%	0.237	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	87	-7.1	-178.4	0	0	0	0	0	115	N30 M90	N30-G32 PolarHBondContact O-N 3.26Å; G32-M90 PolarHBondContact N-O 3.48Å
33	D	93.6	Very high	88.4	Confident	60 Å²	60	48.9 Å²	48.9	32%	0.321	27%	0.27	S	S	.	.			trans	-60.1	140.6	173.5	-74.6	-8.3	0	0	0	110.4	F29 N30 K31 K89 M90	F29-D33 HydrophobicContact CB-CB 4.5Å; F29-D33 HydrophobicContact CD1-CB 4.34Å; N30-D33 PolarHBondContact N-OD2 3.14Å; N30-D33 WeakPolarHBondContact O-CB 3.32Å; N30-D33 PolarHBondContact O-N 2.94Å; N30-D33 VanDerWaalsContact O-N 3.16Å; K31-D33 VanDerWaalsContact C-N 3.32Å; D33-K89 CarbonylContact O-C 3.58Å; D33-K89 WeakPolarHBondContact O-CA 3.44Å; D33-M90 HydrophobicContact CB-CB 4.46Å; D33-M90 PolarHBondContact O-N 3.29Å
34	S	92.2	Very high	89.8	Confident	100 Å²	100	48 Å²	48	70%	0.699	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	129.4	179.3	-62	0	0	0	0	110.5
35	I	92.4	Very high	90.5	Very high	10 Å²	10	47.9 Å²	47.9	5%	0.051	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.6	-179.6	-56.6	177.3	0	0	0	108.6	F29 V37 I88 M90 I127 W234	F29-I35 HydrophobicContact CD1-CG1 4.49Å; F29-I35 HydrophobicContact CE1-CG1 4.49Å; I35-V37 PolarHBondContact O-N 2.8Å; I35-I88 HydrophobicContact CB-CB 4.42Å; I35-I88 HydrophobicContact CB-CG2 4.45Å; I35-I88 PolarHBondContact N-O 3.3Å; I35-M90 HydrophobicContact CD1-CB 4Å; I35-M90 HydrophobicContact CD1-CG 4.35Å; I35-M90 HydrophobicContact CD1-SD 3.43Å; I35-M90 WeakPolarHBondContact CD1-SD 3.44Å; I35-M90 HydrophobicContact CG1-CB 4.45Å; I35-I127 HydrophobicContact CG2-CG2 3.32Å; I35-W234 HydrophobicContact CD1-CH2 3.6Å; I35-W234 HydrophobicContact CD1-CZ2 3.64Å
36	E	91.3	Very high	91	Very high	87 Å²	87	46.2 Å²	46.2	41%	0.407	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	121.8	179.1	-165.2	-168.3	164	0	0	110.8	K38 N83	E36-K38 HydrophobicContact CG-CG 4.23Å; E36-K38 WeakPolarHBondContact OE1-CE 3.35Å; E36-K38 WeakPolarHBondContact OE2-CE 3.47Å; E36-K38 IonicContact OE2-NZ 3.22Å; E36-K38 PolarHBondContact OE2-NZ 3.46Å; E36-K38 VanDerWaalsContact OE2-NZ 3.14Å; E36-N83 WeakPolarHBondContact OE1-CB 3.33Å
37	V	93.7	Very high	91.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	121.2	168.1	-174.3	0	0	0	0	108.5	I35 T84 Y86 I88 L125 I127 F168	I35-V37 PolarHBondContact O-N 2.8Å; V37-T84 WeakPolarHBondContact CB-OG1 3.44Å; V37-T84 WeakPolarHBondContact O-CB 3.43Å; V37-T84 WeakPolarHBondContact O-CG2 3.5Å; V37-T84 PolarHBondContact O-N 2.86Å; V37-T84 PolarHBondContact O-OG1 3.23Å; V37-Y86 HydrophobicContact CB-CD2 4.43Å; V37-Y86 HydrophobicContact CG1-CD2 4.18Å; V37-I88 HydrophobicContact CG2-CD1 3.41Å; V37-I88 VanDerWaalsContact CG2-CD1 3.41Å; V37-I88 HydrophobicContact CG2-CG1 3.82Å; V37-L125 HydrophobicContact CG1-CB 4.33Å; V37-L125 HydrophobicContact CG1-CD1 4.14Å; V37-I127 HydrophobicContact CB-CG1 4.39Å; V37-I127 HydrophobicContact CG1-CG1 4.36Å; V37-I127 HydrophobicContact CG2-CD1 3.92Å; V37-I127 HydrophobicContact CG2-CG1 4.03Å; V37-F168 HydrophobicContact CG1-CE1 4.49Å
38	K	94.5	Very high	91.2	Very high	58 Å²	58	41.7 Å²	41.7	25%	0.252	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	135.9	179.3	-64.8	-179.8	178.9	-178.7	0	110.3	E36 V81 V82 L125 S126	E36-K38 HydrophobicContact CG-CG 4.23Å; E36-K38 WeakPolarHBondContact OE1-CE 3.35Å; E36-K38 WeakPolarHBondContact OE2-CE 3.47Å; E36-K38 IonicContact OE2-NZ 3.22Å; E36-K38 PolarHBondContact OE2-NZ 3.46Å; E36-K38 VanDerWaalsContact OE2-NZ 3.14Å; K38-V81 HydrophobicContact CB-CG1 3.93Å; K38-V81 HydrophobicContact CD-CG1 3.92Å; K38-V81 HydrophobicContact CG-CG1 4.33Å; K38-V82 CarbonylContact C-O 3.56Å; K38-V82 WeakPolarHBondContact CA-O 3.36Å; K38-L125 CarbonylContact O-C 3.5Å; K38-L125 WeakPolarHBondContact O-CA 3.36Å; K38-S126 PolarHBondContact N-O 3.36Å; K38-S126 PolarHBondContact O-N 2.9Å; K38-S126 PolarHBondContact O-OG 3.08Å
39	A	94.9	Very high	91.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	138.6	169.3	0	0	0	0	0	110	Y53 V81 V82 T84 L125	A39-Y53 HydrophobicContact CB-CD1 3.56Å; A39-Y53 HydrophobicContact CB-CD2 3.59Å; A39-Y53 HydrophobicContact CB-CE1 4.02Å; A39-Y53 HydrophobicContact CB-CE2 4.06Å; A39-Y53 HydrophobicContact CB-CG 3.31Å; A39-V81 CarbonylContact O-C 3.55Å; A39-V81 WeakPolarHBondContact O-CA 3.48Å; A39-V82 HydrophobicContact CB-CG2 3.93Å; A39-V82 PolarHBondContact N-O 3.1Å; A39-V82 PolarHBondContact O-N 2.94Å; A39-T84 HydrophobicContact CB-CG2 3.6Å; A39-L125 HydrophobicContact CB-CD2 3.65Å
40	V	93	Very high	91.2	Very high	13 Å²	13	37 Å²	37	8%	0.079	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-55.4	-174.6	-175.9	0	0	0	0	111.5	D79 R80 H124	V40-D79 HydrophobicContact CG1-CB 3.84Å; V40-R80 CarbonylContact O-C 3.58Å; V40-R80 PolarHBondContact O-N 2.81Å; V40-H124 HydrophobicContact CB-CB 4.26Å; V40-H124 PolarHBondContact N-O 2.96Å
41	K	94.3	Very high	91.3	Very high	35 Å²	35	34 Å²	34	15%	0.152	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.2	172	-178.6	60.6	-171.4	-178	-164.8	0	111.7	T43 P50 F51 R77 D79 H124	K41-T43 HydrophobicContact CD-CG2 4.01Å; K41-T43 HydrophobicContact CG-CG2 3.99Å; K41-P50 HydrophobicContact CD-CB 3.95Å; K41-F51 CarbonylContact C-O 3.35Å; K41-F51 WeakPolarHBondContact CA-O 3.13Å; K41-F51 WeakPolarHBondContact CB-O 3.05Å; K41-R77 PolarHBondContact NZ-O 3.08Å; K41-R77 VanDerWaalsContact NZ-O 3.08Å; K41-D79 VanDerWaalsContact CD-OD1 3.31Å; K41-D79 WeakPolarHBondContact CD-OD1 3.3Å; K41-D79 WeakPolarHBondContact CE-OD1 3.32Å; K41-D79 IonicContact NZ-OD1 2.69Å; K41-D79 PolarHBondContact NZ-OD1 2.96Å; K41-H124 WeakPolarHBondContact O-CB 3.33Å; K41-H124 PolarHBondContact O-CD2 2.91Å; K41-H124 PolarHBondContact O-N 3.34Å
42	L	94.6	Very high	91.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133	168.1	-55	173.4	0	0	0	108.3	P50 F51 E52 Y53 L56 F58 F116 Y121 S122 V123	L42-P50 CarbonylContact O-C 3.55Å; L42-P50 WeakPolarHBondContact O-CA 3.2Å; L42-F51 HydrophobicContact CB-CB 4.28Å; L42-F51 HydrophobicContact CD1-CB 4.36Å; L42-F51 PolarHBondContact N-O 3.21Å; L42-F51 PolarHBondContact O-N 2.88Å; L42-E52 WeakPolarHBondContact CD1-O 3.2Å; L42-Y53 HydrophobicContact CD2-CD2 4.38Å; L42-L56 HydrophobicContact CD1-CB 4.48Å; L42-L56 HydrophobicContact CD1-CD1 3.57Å; L42-L56 HydrophobicContact CD1-CG 3.73Å; L42-L56 HydrophobicContact CD2-CD1 4.49Å; L42-F58 HydrophobicContact CD2-CE2 4.16Å; L42-F116 HydrophobicContact CD1-CD1 4.26Å; L42-F116 HydrophobicContact CD1-CE1 4.08Å; L42-Y121 HydrophobicContact CB-CD1 4.04Å; L42-S122 WeakPolarHBondContact CA-O 3.06Å; L42-V123 HydrophobicContact CD2-CB 4.15Å; L42-V123 HydrophobicContact CD2-CG1 4.23Å; L42-V123 HydrophobicContact CD2-CG2 3.63Å
43	T	92.8	Very high	91.6	Very high	13 Å²	13	30.4 Å²	30.4	8%	0.08	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	156.1	173.9	66.1	0	0	0	0	111.1	K41 P50 Y121 S122 H124	K41-T43 HydrophobicContact CD-CG2 4.01Å; K41-T43 HydrophobicContact CG-CG2 3.99Å; T43-P50 HydrophobicContact CG2-CB 4.18Å; T43-Y121 VanDerWaalsContact C-CD1 3.45Å; T43-Y121 CarbonylContact O-C 3.59Å; T43-Y121 VanDerWaalsContact O-CA 3.29Å; T43-Y121 WeakPolarHBondContact O-CA 3.41Å; T43-S122 PolarHBondContact N-O 3.12Å; T43-S122 PolarHBondContact O-N 3.36Å; T43-H124 PolarHBondContact OG1-NE2 2.82Å
44	S	90.8	Very high	91.6	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.021	15%	0.145	C	C	.	.			trans	-135.9	141.4	170.2	161.8	0	0	0	0	109.9	L46 T47 Q48 N119	S44-L46 PolarHBondContact O-N 3.05Å; S44-L46 WeakPolarHBondContact OG-CB 2.91Å; S44-L46 PolarHBondContact OG-N 2.88Å; S44-T47 WeakPolarHBondContact CB-OG1 3.33Å; S44-T47 PolarHBondContact OG-N 3.18Å; S44-Q48 WeakPolarHBondContact O-CA 3.5Å; S44-Q48 PolarHBondContact O-N 2.69Å; S44-N119 VanDerWaalsContact CB-O 3.28Å; S44-N119 WeakPolarHBondContact CB-O 3.12Å; S44-N119 PolarHBondContact OG-O 2.88Å
45	Y	83.1	Confident	91.6	Very high	78 Å²	78	28.8 Å²	28.8	31%	0.306	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-15.5	174	71.2	-85.9	0	0	0	112.3	Q48 Q120	Y45-Q48 PolarHBondContact O-NE2 3.35Å; Y45-Q120 HydrophobicContact CD1-CB 4.45Å; Y45-Q120 HydrophobicContact CE1-CB 3.6Å; Y45-Q120 HydrophobicContact CE1-CG 4.24Å; Y45-Q120 VanDerWaalsContact CE1-OE1 3.22Å; Y45-Q120 PolarHBondContact OH-NE2 3.09Å; Y45-Q120 VanDerWaalsContact OH-NE2 3.08Å; Y45-Q120 PolarHBondContact OH-OE1 2.9Å
46	L	86.2	Confident	91.7	Very high	34 Å²	34	28.5 Å²	28.5	18%	0.178	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-46.9	176.6	-61.7	-179.9	0	0	0	111.6	S44 Q120 S573	S44-L46 PolarHBondContact O-N 3.05Å; S44-L46 WeakPolarHBondContact OG-CB 2.91Å; S44-L46 PolarHBondContact OG-N 2.88Å; L46-Q120 HydrophobicContact CD1-CB 4.29Å; L46-Q120 HydrophobicContact CD1-CG 4.14Å; L46-S573 WeakPolarHBondContact CD2-OG 3.15Å
47	T	86.2	Confident	91.6	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.031	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-20.1	-174.4	64.3	0	0	0	0	113.3	S44 L49 N119 Y121 P579	S44-T47 WeakPolarHBondContact CB-OG1 3.33Å; S44-T47 PolarHBondContact OG-N 3.18Å; T47-L49 PolarHBondContact O-N 2.81Å; T47-N119 HydrophobicContact CG2-CB 3.95Å; T47-Y121 WeakPolarHBondContact CB-OH 3.2Å; T47-Y121 HydrophobicContact CG2-CE2 4.05Å; T47-Y121 PolarHBondContact OG1-OH 3.05Å; T47-P579 WeakPolarHBondContact O-CB 3.41Å; T47-P579 WeakPolarHBondContact O-CG 3.31Å
48	Q	84.2	Confident	91.6	Very high	25 Å²	25	26 Å²	26	12%	0.117	12%	0.122	C	C	.	.			trans	56.2	19.6	179.2	-57.8	-66.1	-25.2	0	0	114.5	S44 Y45 W504 I574	S44-Q48 WeakPolarHBondContact O-CA 3.5Å; S44-Q48 PolarHBondContact O-N 2.69Å; Y45-Q48 PolarHBondContact O-NE2 3.35Å; Q48-W504 VanDerWaalsContact CD-O 3.23Å; Q48-W504 PolarHBondContact NE2-O 3.42Å; Q48-W504 PolarHBondContact OE1-O 2.99Å; Q48-I574 HydrophobicContact CG-CD1 3.74Å; Q48-I574 HydrophobicContact CG-CG1 4.09Å
49	L	89.1	Confident	91.4	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.026	11%	0.111	C	C	.	.			trans	-114.4	118.7	-179.8	-77.5	171.3	0	0	0	109.3	T47 F51 Y121 K416 P579 I582	T47-L49 PolarHBondContact O-N 2.81Å; L49-F51 HydrophobicContact CB-CE2 3.73Å; L49-F51 HydrophobicContact CB-CZ 4.28Å; L49-F51 WeakPolarHBondContact O-CD2 3.47Å; L49-Y121 WeakPolarHBondContact O-CE1 3.43Å; L49-K416 HydrophobicContact CD1-CB 4.1Å; L49-K416 HydrophobicContact CD1-CD 4.41Å; L49-K416 HydrophobicContact CD1-CG 4.05Å; L49-P579 HydrophobicContact CD1-CG 4.16Å; L49-P579 HydrophobicContact CG-CG 4.41Å; L49-I582 HydrophobicContact CD2-CD1 3.39Å; L49-I582 HydrophobicContact CG-CD1 4.26Å
50	P	92.6	Very high	91.3	Very high	17 Å²	17	31.6 Å²	31.6	11%	0.11	14%	0.142	C	C	.	.			trans	-78.3	147.2	173	31.4	-33.8	0	0	0	111.1	K41 L42 T43 S418 S419 A420	K41-P50 HydrophobicContact CD-CB 3.95Å; L42-P50 CarbonylContact O-C 3.55Å; L42-P50 WeakPolarHBondContact O-CA 3.2Å; T43-P50 HydrophobicContact CG2-CB 4.18Å; P50-S418 WeakPolarHBondContact CD-OG 3.07Å; P50-S418 CarbonylContact O-C 3.58Å; P50-S418 WeakPolarHBondContact O-CA 3.37Å; P50-S418 VanDerWaalsContact O-CB 3.32Å; P50-S418 WeakPolarHBondContact O-CB 3.39Å; P50-S418 PolarHBondContact O-OG 3.43Å; P50-S419 VanDerWaalsContact C-OG 3.3Å; P50-S419 WeakPolarHBondContact CB-OG 3.18Å; P50-S419 PolarHBondContact O-N 2.6Å; P50-S419 PolarHBondContact O-OG 3.34Å; P50-A420 HydrophobicContact CG-CB 3.43Å; P50-A420 VanDerWaalsContact CG-CB 3.43Å
51	F	94.6	Very high	91.1	Very high	16 Å²	16	32 Å²	32	7%	0.07	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-129.9	156.7	173.1	-70	-88.1	0	0	0	110.8	K41 L42 L49 K55 F116 Y121 K416 G417 S419	K41-F51 CarbonylContact C-O 3.35Å; K41-F51 WeakPolarHBondContact CA-O 3.13Å; K41-F51 WeakPolarHBondContact CB-O 3.05Å; L42-F51 HydrophobicContact CB-CB 4.28Å; L42-F51 HydrophobicContact CD1-CB 4.36Å; L42-F51 PolarHBondContact N-O 3.21Å; L42-F51 PolarHBondContact O-N 2.88Å; L49-F51 HydrophobicContact CB-CE2 3.73Å; L49-F51 HydrophobicContact CB-CZ 4.28Å; L49-F51 WeakPolarHBondContact O-CD2 3.47Å; F51-K55 HydrophobicContact CB-CB 4.44Å; F51-K55 HydrophobicContact CD1-CG 4.33Å; F51-F116 HydrophobicContact CB-CE1 4.24Å; F51-F116 HydrophobicContact CD1-CZ 4.46Å; F51-F116 AromaticContact CD2-CE1 3.92Å; F51-F116 HydrophobicContact CD2-CE1 3.92Å; F51-F116 AromaticContact CD2-CZ 4Å; F51-F116 HydrophobicContact CD2-CZ 4Å; F51-F116 HydrophobicContact CE2-CZ 4.3Å; F51-F116 HydrophobicContact CG-CE1 4.09Å; F51-F116 HydrophobicContact CG-CZ 4.09Å; F51-Y121 AromaticContact CD2-CE1 3.74Å; F51-Y121 HydrophobicContact CD2-CE1 3.74Å; F51-Y121 AromaticContact CD2-CZ 4Å; F51-Y121 HydrophobicContact CE2-CE1 4.18Å; F51-Y121 AromaticContact CE2-CZ 4Å; F51-Y121 WeakPolarHBondContact CE2-OH 2.79Å; F51-K416 WeakPolarHBondContact CE1-O 3.13Å; F51-G417 WeakPolarHBondContact CD1-O 3.31Å; F51-G417 WeakPolarHBondContact CE1-O 3.37Å; F51-S419 PolarHBondContact N-OG 2.93Å
52	E	94.1	Very high	90.5	Very high	76 Å²	76	40.7 Å²	40.7	36%	0.355	18%	0.182	S	C	.	.			trans	-65.3	147.6	174.2	-58.3	-172.7	169.5	0	0	110.8	L42 Y54 K55 R80	L42-E52 WeakPolarHBondContact CD1-O 3.2Å; E52-Y54 PolarHBondContact O-N 2.83Å; E52-K55 WeakPolarHBondContact O-CB 3.21Å; E52-K55 PolarHBondContact O-N 2.71Å; E52-K55 VanDerWaalsContact O-N 3.09Å; E52-R80 HydrophobicContact CG-CB 3.97Å; E52-R80 HydrophobicContact CG-CG 3.89Å
53	Y	94.8	Very high	89.8	Confident	3 Å²	3	48.7 Å²	48.7	1%	0.012	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-55.3	-50.2	-178.9	-179.5	-110.6	0	0	0	112.3	A39 L42 K55 L56 F58 V82 T84 V123 L125	A39-Y53 HydrophobicContact CB-CD1 3.56Å; A39-Y53 HydrophobicContact CB-CD2 3.59Å; A39-Y53 HydrophobicContact CB-CE1 4.02Å; A39-Y53 HydrophobicContact CB-CE2 4.06Å; A39-Y53 HydrophobicContact CB-CG 3.31Å; L42-Y53 HydrophobicContact CD2-CD2 4.38Å; Y53-K55 PolarHBondContact O-N 3.13Å; Y53-K55 VanDerWaalsContact O-N 3.14Å; Y53-L56 PolarHBondContact O-N 3.3Å; Y53-F58 HydrophobicContact CD1-CD2 4.16Å; Y53-F58 AromaticContact CD2-CD2 3.81Å; Y53-F58 HydrophobicContact CD2-CD2 3.81Å; Y53-F58 AromaticContact CD2-CE2 3.77Å; Y53-F58 HydrophobicContact CD2-CE2 3.77Å; Y53-F58 HydrophobicContact CE1-CB 3.97Å; Y53-F58 AromaticContact CE1-CD2 3.84Å; Y53-F58 HydrophobicContact CE1-CD2 3.84Å; Y53-F58 HydrophobicContact CE1-CG 4.18Å; Y53-F58 AromaticContact CE2-CD2 3.45Å; Y53-F58 HydrophobicContact CE2-CD2 3.45Å; Y53-F58 VanDerWaalsContact CE2-CD2 3.45Å; Y53-F58 AromaticContact CE2-CE2 3.52Å; Y53-F58 HydrophobicContact CE2-CE2 3.52Å; Y53-F58 HydrophobicContact CE2-CG 4.12Å; Y53-F58 HydrophobicContact CE2-CZ 4.23Å; Y53-F58 HydrophobicContact CG-CD2 4.15Å; Y53-F58 HydrophobicContact CG-CE2 4.46Å; Y53-F58 AromaticContact CZ-CD2 3.47Å; Y53-F58 VanDerWaalsContact CZ-CD2 3.47Å; Y53-F58 AromaticContact CZ-CG 3.76Å; Y53-F58 VanDerWaalsContact O-CD2 3.28Å; Y53-F58 WeakPolarHBondContact O-CD2 3.33Å; Y53-F58 WeakPolarHBondContact O-CE2 3.19Å; Y53-V82 HydrophobicContact CD1-CG2 4.22Å; Y53-T84 HydrophobicContact CE1-CG2 4.28Å; Y53-V123 HydrophobicContact CD2-CG1 3.82Å; Y53-V123 HydrophobicContact CE2-CG1 3.54Å; Y53-L125 HydrophobicContact CE2-CD2 4.4Å
54	Y	94.5	Very high	89.5	Confident	23 Å²	23	54.5 Å²	54.5	9%	0.09	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-78.1	10.7	-179.4	-69.4	-58	0	0	0	115	E52 L56 F58 C59 R60 P61 V65 V82 N83	E52-Y54 PolarHBondContact O-N 2.83Å; Y54-L56 CarbonylContact C-O 3.46Å; Y54-L56 PolarHBondContact O-N 3.39Å; Y54-F58 HydrophobicContact CE1-CB 4.42Å; Y54-C59 WeakPolarHBondContact CE1-O 3.37Å; Y54-C59 PolarHBondContact OH-O 2.65Å; Y54-R60 HydrophobicContact CD1-CG 4.08Å; Y54-R60 HydrophobicContact CE1-CG 3.9Å; Y54-P61 WeakPolarHBondContact OH-CD 3.48Å; Y54-V65 HydrophobicContact CD2-CG1 3.8Å; Y54-V65 HydrophobicContact CD2-CG2 4.04Å; Y54-V65 HydrophobicContact CE2-CB 4.41Å; Y54-V65 HydrophobicContact CE2-CG1 3.67Å; Y54-V65 HydrophobicContact CE2-CG2 3.78Å; Y54-V82 HydrophobicContact CD2-CB 4.26Å; Y54-V82 HydrophobicContact CD2-CG1 4.45Å; Y54-V82 HydrophobicContact CD2-CG2 3.81Å; Y54-V82 HydrophobicContact CE2-CB 3.99Å; Y54-V82 HydrophobicContact CE2-CG2 3.6Å; Y54-N83 PolarHBondContact OH-O 3.33Å
55	K	92.3	Very high	89.3	Confident	104 Å²	104	56 Å²	56	45%	0.452	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-64	-31.8	164.8	-174.1	64.1	174.6	-171	0	111.1	F51 E52 Y53	F51-K55 HydrophobicContact CB-CB 4.44Å; F51-K55 HydrophobicContact CD1-CG 4.33Å; E52-K55 WeakPolarHBondContact O-CB 3.21Å; E52-K55 PolarHBondContact O-N 2.71Å; E52-K55 VanDerWaalsContact O-N 3.09Å; Y53-K55 PolarHBondContact O-N 3.13Å; Y53-K55 VanDerWaalsContact O-N 3.14Å
56	L	93.4	Very high	89.5	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.021	27%	0.268	C	S	.	.	S	Bend	trans	-92.9	153.4	172.5	-66.6	179.6	0	0	0	110.6	L42 Y53 Y54 F58 L112 L113 F116 L152	L42-L56 HydrophobicContact CD1-CB 4.48Å; L42-L56 HydrophobicContact CD1-CD1 3.57Å; L42-L56 HydrophobicContact CD1-CG 3.73Å; L42-L56 HydrophobicContact CD2-CD1 4.49Å; Y53-L56 PolarHBondContact O-N 3.3Å; Y54-L56 CarbonylContact C-O 3.46Å; Y54-L56 PolarHBondContact O-N 3.39Å; L56-F58 HydrophobicContact CB-CD2 3.95Å; L56-F58 HydrophobicContact CB-CE2 3.62Å; L56-F58 HydrophobicContact CB-CZ 4.01Å; L56-F58 HydrophobicContact CD1-CE2 3.94Å; L56-F58 HydrophobicContact CD1-CZ 3.78Å; L56-F58 HydrophobicContact CG-CE2 4.35Å; L56-F58 PolarHBondContact O-N 3.34Å; L56-L112 HydrophobicContact CD2-CD2 4.33Å; L56-L112 HydrophobicContact CD2-CG 4.23Å; L56-L113 HydrophobicContact CD1-CD1 4.19Å; L56-L113 HydrophobicContact CD2-CD1 4.27Å; L56-F116 HydrophobicContact CD1-CB 4.35Å; L56-F116 HydrophobicContact CD1-CD1 3.95Å; L56-F116 HydrophobicContact CD1-CG 4.32Å; L56-F116 HydrophobicContact CD2-CB 4.34Å; L56-F116 HydrophobicContact CD2-CD1 4.05Å; L56-F116 HydrophobicContact CD2-CD2 4.19Å; L56-F116 HydrophobicContact CD2-CE1 4.4Å; L56-F116 HydrophobicContact CD2-CG 3.93Å; L56-F116 HydrophobicContact CG-CD1 4.21Å; L56-F116 HydrophobicContact CG-CE1 4.5Å; L56-L152 HydrophobicContact CD1-CD1 4.02Å; L56-L152 HydrophobicContact CD1-CD2 3.47Å; L56-L152 VanDerWaalsContact CD1-CD2 3.47Å; L56-L152 HydrophobicContact CD1-CG 4.4Å
57	P	90.8	Very high	89.5	Confident	24 Å²	24	61.8 Å²	61.8	16%	0.156	28%	0.283	C	S	.	.			trans	-76.8	64.2	-177.9	35.8	-40.2	0	0	0	111.4	F103 I105 N109	P57-F103 HydrophobicContact CB-CE2 4.35Å; P57-F103 WeakPolarHBondContact O-CE2 3.46Å; P57-F103 WeakPolarHBondContact O-CZ 3.32Å; P57-I105 HydrophobicContact CB-CD1 4.49Å; P57-I105 HydrophobicContact CG-CD1 3.87Å; P57-I105 HydrophobicContact CG-CG1 4.33Å; P57-I105 HydrophobicContact CG-CG2 4.11Å; P57-N109 HydrophobicContact CG-CB 4.23Å
58	F	92.4	Very high	89.4	Confident	11 Å²	11	63.9 Å²	63.9	5%	0.048	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-83.6	163.5	171.6	-63.4	-57.5	0	0	0	112.1	L42 Y53 Y54 L56 R60 V123 L152 F228	L42-F58 HydrophobicContact CD2-CE2 4.16Å; Y53-F58 HydrophobicContact CD1-CD2 4.16Å; Y53-F58 AromaticContact CD2-CD2 3.81Å; Y53-F58 HydrophobicContact CD2-CD2 3.81Å; Y53-F58 AromaticContact CD2-CE2 3.77Å; Y53-F58 HydrophobicContact CD2-CE2 3.77Å; Y53-F58 HydrophobicContact CE1-CB 3.97Å; Y53-F58 AromaticContact CE1-CD2 3.84Å; Y53-F58 HydrophobicContact CE1-CD2 3.84Å; Y53-F58 HydrophobicContact CE1-CG 4.18Å; Y53-F58 AromaticContact CE2-CD2 3.45Å; Y53-F58 HydrophobicContact CE2-CD2 3.45Å; Y53-F58 VanDerWaalsContact CE2-CD2 3.45Å; Y53-F58 AromaticContact CE2-CE2 3.52Å; Y53-F58 HydrophobicContact CE2-CE2 3.52Å; Y53-F58 HydrophobicContact CE2-CG 4.12Å; Y53-F58 HydrophobicContact CE2-CZ 4.23Å; Y53-F58 HydrophobicContact CG-CD2 4.15Å; Y53-F58 HydrophobicContact CG-CE2 4.46Å; Y53-F58 AromaticContact CZ-CD2 3.47Å; Y53-F58 VanDerWaalsContact CZ-CD2 3.47Å; Y53-F58 AromaticContact CZ-CG 3.76Å; Y53-F58 VanDerWaalsContact O-CD2 3.28Å; Y53-F58 WeakPolarHBondContact O-CD2 3.33Å; Y53-F58 WeakPolarHBondContact O-CE2 3.19Å; Y54-F58 HydrophobicContact CE1-CB 4.42Å; L56-F58 HydrophobicContact CB-CD2 3.95Å; L56-F58 HydrophobicContact CB-CE2 3.62Å; L56-F58 HydrophobicContact CB-CZ 4.01Å; L56-F58 HydrophobicContact CD1-CE2 3.94Å; L56-F58 HydrophobicContact CD1-CZ 3.78Å; L56-F58 HydrophobicContact CG-CE2 4.35Å; L56-F58 PolarHBondContact O-N 3.34Å; F58-R60 PolarHBondContact O-N 3.02Å; F58-V123 HydrophobicContact CZ-CG2 4.18Å; F58-L152 HydrophobicContact CE1-CD1 3.74Å; F58-L152 HydrophobicContact CZ-CD1 3.46Å; F58-L152 VanDerWaalsContact CZ-CD1 3.46Å; F58-F228 HydrophobicContact CD1-CE1 4.03Å; F58-F228 AromaticContact CD1-CZ 3.96Å; F58-F228 HydrophobicContact CD1-CZ 3.96Å; F58-F228 HydrophobicContact CE1-CE1 4.44Å
59	C	91.5	Very high	89.4	Confident	5 Å²	5	68.9 Å²	68.9	3%	0.034	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-54.2	127.6	171.1	-66.8	0	0	0	0	111.3	Y54 P85 V99 C100 F228	Y54-C59 WeakPolarHBondContact CE1-O 3.37Å; Y54-C59 PolarHBondContact OH-O 2.65Å; C59-P85 HydrophobicContact CB-CG 3.62Å; C59-P85 WeakPolarHBondContact O-CD 3.38Å; C59-P85 WeakPolarHBondContact O-CG 3.43Å; C59-V99 HydrophobicContact CB-CG1 4.35Å; C59-C100 HydrophobicContact CB-CB 3.65Å; C59-C100 WeakPolarHBondContact CB-SG 3.26Å; C59-C100 WeakPolarHBondContact SG-CB 3.3Å; C59-C100 CovalentContact SG-SG 2.04Å; C59-C100 PolarHBondContact SG-SG 3.27Å; C59-F228 VanDerWaalsContact SG-CD2 3.55Å
60	R	91.4	Very high	89.1	Confident	169 Å²	169	71.3 Å²	71.3	64%	0.638	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-93.2	150.3	173	-66.9	-175.7	178.7	-169.3	-1.8	110.6	Y54 F58	Y54-R60 HydrophobicContact CD1-CG 4.08Å; Y54-R60 HydrophobicContact CE1-CG 3.9Å; F58-R60 PolarHBondContact O-N 3.02Å
61	P	88.7	Confident	88.9	Confident	22 Å²	22	72.9 Å²	72.9	14%	0.143	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-61.1	153.4	171.8	28	-36.7	0	0	0	111.3	Y54 Q63 L64 V65	Y54-P61 WeakPolarHBondContact OH-CD 3.48Å; P61-Q63 PolarHBondContact O-N 3.39Å; P61-L64 VanDerWaalsContact CG-O 3.3Å; P61-L64 WeakPolarHBondContact CG-O 3.45Å; P61-V65 HydrophobicContact CG-CG2 4.11Å
62	K	82.6	Confident	88.7	Confident	217 Å²	217	73.9 Å²	73.9	94%	0.943	36%	0.356	S	S	*	.	S	Bend	trans	-66	-32.8	-175.7	-67.6	-178.4	-179.1	176.1	0	114.1
63	Q	79.1	Confident	88.5	Confident	168 Å²	168	70.3 Å²	70.3	79%	0.785	34%	0.339	S	S	*	.	S	Bend	trans	-85.5	-87.1	-179	-67.3	177.4	-6.6	0	0	109.9	P61	P61-Q63 PolarHBondContact O-N 3.39Å
64	L	87	Confident	88.3	Confident	136 Å²	136	71 Å²	71	71%	0.712	34%	0.342	S	S	*	.			trans	-148.4	157	178.6	-72.2	172.7	0	0	0	110	P61 E66 N83	P61-L64 VanDerWaalsContact CG-O 3.3Å; P61-L64 WeakPolarHBondContact CG-O 3.45Å; L64-E66 PolarHBondContact O-N 2.82Å; L64-N83 PolarHBondContact O-ND2 2.8Å; L64-N83 VanDerWaalsContact O-ND2 3.13Å
65	V	86.3	Confident	88.2	Confident	35 Å²	35	70.9 Å²	70.9	21%	0.212	34%	0.343	C	S	.	.			trans	-74.4	115.6	168.8	-179.6	0	0	0	0	107.7	Y54 P61 Y67 V82 N83	Y54-V65 HydrophobicContact CD2-CG1 3.8Å; Y54-V65 HydrophobicContact CD2-CG2 4.04Å; Y54-V65 HydrophobicContact CE2-CB 4.41Å; Y54-V65 HydrophobicContact CE2-CG1 3.67Å; Y54-V65 HydrophobicContact CE2-CG2 3.78Å; P61-V65 HydrophobicContact CG-CG2 4.11Å; V65-Y67 HydrophobicContact CB-CE2 4.14Å; V65-Y67 HydrophobicContact CG1-CD2 4.27Å; V65-Y67 HydrophobicContact CG1-CE2 3.62Å; V65-V82 HydrophobicContact CG1-CB 3.93Å; V65-V82 HydrophobicContact CG1-CG1 3.83Å; V65-N83 WeakPolarHBondContact CA-OD1 3.47Å
66	E	87.1	Confident	88	Confident	105 Å²	105	67.8 Å²	67.8	49%	0.491	33%	0.331	S	S	.	.			trans	-91.3	132.2	178.2	-67.5	-179.3	-170	0	0	109.9	L64 P68 V82 N83	L64-E66 PolarHBondContact O-N 2.82Å; E66-P68 WeakPolarHBondContact O-CD 3.14Å; E66-V82 WeakPolarHBondContact O-CA 3.32Å; E66-N83 HydrophobicContact CB-CB 4.44Å; E66-N83 PolarHBondContact N-OD1 3.2Å; E66-N83 PolarHBondContact O-N 3.05Å
67	Y	86.4	Confident	87.8	Confident	128 Å²	128	71.8 Å²	71.8	50%	0.502	35%	0.346	S	S	.	.			trans	-110.7	97.7	175.1	-67.4	-92	0	0	0	107.9	V65 V82	V65-Y67 HydrophobicContact CB-CE2 4.14Å; V65-Y67 HydrophobicContact CG1-CD2 4.27Å; V65-Y67 HydrophobicContact CG1-CE2 3.62Å; Y67-V82 HydrophobicContact CD1-CG1 3.62Å; Y67-V82 HydrophobicContact CE1-CG1 3.33Å; Y67-V82 HydrophobicContact CG-CG1 4.4Å
68	P	84.7	Confident	87.7	Confident	48 Å²	48	70.7 Å²	70.7	31%	0.312	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-59.6	152.9	174	26.5	-35.3	0	0	0	110.7	E66 E70 V81	E66-P68 WeakPolarHBondContact O-CD 3.14Å; P68-E70 PolarHBondContact O-N 3.24Å; P68-V81 VanDerWaalsContact CD-O 3.32Å; P68-V81 WeakPolarHBondContact CD-O 3.48Å; P68-V81 HydrophobicContact CG-CB 3.91Å; P68-V81 HydrophobicContact CG-CG1 3.83Å
69	P	83.9	Confident	87.7	Confident	130 Å²	130	70.7 Å²	70.7	84%	0.844	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-61.8	124.8	179.3	25.9	-33.9	0	0	0	110.7
70	E	83.4	Confident	87.7	Confident	57 Å²	57	71.5 Å²	71.5	27%	0.266	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-90.9	141.4	-178.8	-60.4	175.5	164.1	0	0	110.8	P68 E74 I75 R80	P68-E70 PolarHBondContact O-N 3.24Å; E70-E74 WeakPolarHBondContact CA-OE2 3.49Å; E70-E74 HydrophobicContact CB-CB 4.46Å; E70-I75 HydrophobicContact CB-CD1 4.22Å; E70-I75 HydrophobicContact CB-CG1 3.81Å; E70-I75 WeakPolarHBondContact OE2-CG1 3.33Å; E70-R80 WeakPolarHBondContact OE1-CA 3.16Å; E70-R80 WeakPolarHBondContact OE1-CD 3.48Å; E70-R80 IonicContact OE1-NH1 3.45Å; E70-R80 IonicContact OE2-CZ 3.14Å; E70-R80 IonicContact OE2-NE 3.44Å; E70-R80 IonicContact OE2-NH1 3.28Å; E70-R80 PolarHBondContact OE2-NH1 3.48Å
71	N	88.5	Confident	87.7	Confident	49 Å²	49	63.5 Å²	63.5	26%	0.262	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-83.7	160.8	169.1	71.4	59.6	0	0	0	111.3	G73 E74 I75 R353 N358	N71-G73 PolarHBondContact O-N 3.04Å; N71-G73 VanDerWaalsContact O-N 3.13Å; N71-G73 WeakPolarHBondContact OD1-CA 3.34Å; N71-G73 PolarHBondContact OD1-N 3.05Å; N71-G73 VanDerWaalsContact OD1-N 3.08Å; N71-E74 PolarHBondContact N-OE2 3.27Å; N71-E74 VanDerWaalsContact ND2-CD 3.32Å; N71-E74 PolarHBondContact ND2-OE2 3.13Å; N71-E74 PolarHBondContact O-N 2.86Å; N71-E74 VanDerWaalsContact O-N 3.1Å; N71-E74 PolarHBondContact OD1-N 2.83Å; N71-I75 WeakPolarHBondContact O-CG1 3.38Å; N71-I75 PolarHBondContact O-N 2.84Å; N71-I75 VanDerWaalsContact O-N 3.08Å; N71-R353 PolarHBondContact ND2-O 3.26Å; N71-N358 WeakPolarHBondContact CB-ND2 2.99Å; N71-N358 PolarHBondContact OD1-ND2 2.62Å
72	I	89.4	Confident	88	Confident	38 Å²	38	62.7 Å²	62.7	20%	0.195	31%	0.306	C	S	.	.	H	α-helix	trans	-55.1	-38.1	-176.8	-62.9	171.2	0	0	0	111.4	I75 L76 N358 I361 T426 L430 L433	I72-I75 PolarHBondContact O-N 2.71Å; I72-L76 HydrophobicContact CG2-CD1 3.96Å; I72-L76 HydrophobicContact CG2-CG 4.35Å; I72-L76 VanDerWaalsContact O-CG 3.3Å; I72-L76 WeakPolarHBondContact O-CG 3.43Å; I72-L76 PolarHBondContact O-N 2.98Å; I72-N358 WeakPolarHBondContact CB-OD1 3.28Å; I72-I361 HydrophobicContact CG2-CD1 3.98Å; I72-T426 HydrophobicContact CG2-CG2 4.34Å; I72-L430 HydrophobicContact CG2-CD2 4.08Å; I72-L433 HydrophobicContact CD1-CD1 4.27Å
73	G	89.6	Confident	88.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-68.7	-36.6	-179.9	0	0	0	0	0	114.2	N71 R77 N358	N71-G73 PolarHBondContact O-N 3.04Å; N71-G73 VanDerWaalsContact O-N 3.13Å; N71-G73 WeakPolarHBondContact OD1-CA 3.34Å; N71-G73 PolarHBondContact OD1-N 3.05Å; N71-G73 VanDerWaalsContact OD1-N 3.08Å; G73-R77 WeakPolarHBondContact O-CG 3.29Å; G73-R77 PolarHBondContact O-N 2.84Å; G73-R77 VanDerWaalsContact O-N 3.17Å; G73-N358 WeakPolarHBondContact CA-OD1 3.35Å; G73-N358 PolarHBondContact N-OD1 2.97Å
74	E	91	Very high	89.3	Confident	17 Å²	17	45.7 Å²	45.7	8%	0.079	23%	0.232	C	C	.	.	H	α-helix	trans	-64.3	-44.8	170.8	-74.5	172.7	144.4	0	0	110	E70 N71 L76 R77 G78 D79 R353	E70-E74 WeakPolarHBondContact CA-OE2 3.49Å; E70-E74 HydrophobicContact CB-CB 4.46Å; N71-E74 PolarHBondContact N-OE2 3.27Å; N71-E74 VanDerWaalsContact ND2-CD 3.32Å; N71-E74 PolarHBondContact ND2-OE2 3.13Å; N71-E74 PolarHBondContact O-N 2.86Å; N71-E74 VanDerWaalsContact O-N 3.1Å; N71-E74 PolarHBondContact OD1-N 2.83Å; E74-L76 VanDerWaalsContact C-N 3.33Å; E74-L76 PolarHBondContact O-N 2.95Å; E74-R77 PolarHBondContact O-N 2.89Å; E74-R77 VanDerWaalsContact O-N 3.13Å; E74-G78 PolarHBondContact O-N 3.49Å; E74-D79 HydrophobicContact CB-CB 4.2Å; E74-D79 PolarHBondContact O-N 2.76Å; E74-R353 HydrophobicContact CG-CB 3.87Å; E74-R353 WeakPolarHBondContact OE1-CB 3.44Å; E74-R353 IonicContact OE1-NE 3.62Å; E74-R353 PolarHBondContact OE1-NE 3.02Å
75	I	92	Very high	89.6	Confident	21 Å²	21	40.4 Å²	40.4	11%	0.108	21%	0.205	C	C	.	.	H	α-helix	trans	-59.2	-45.1	178.5	-62.1	168.3	0	0	0	111.6	E70 N71 I72 R77 G78 P423 T426	E70-I75 HydrophobicContact CB-CD1 4.22Å; E70-I75 HydrophobicContact CB-CG1 3.81Å; E70-I75 WeakPolarHBondContact OE2-CG1 3.33Å; N71-I75 WeakPolarHBondContact O-CG1 3.38Å; N71-I75 PolarHBondContact O-N 2.84Å; N71-I75 VanDerWaalsContact O-N 3.08Å; I72-I75 PolarHBondContact O-N 2.71Å; I75-R77 VanDerWaalsContact C-N 3.31Å; I75-R77 PolarHBondContact O-N 2.85Å; I75-G78 PolarHBondContact O-N 2.71Å; I75-G78 VanDerWaalsContact O-N 3.13Å; I75-P423 HydrophobicContact CG2-CG 4.06Å; I75-T426 HydrophobicContact CB-CG2 4.4Å; I75-T426 HydrophobicContact CD1-CG2 4.28Å; I75-T426 HydrophobicContact CG2-CG2 3.9Å
76	L	89.9	Confident	89.9	Confident	40 Å²	40	39.4 Å²	39.4	21%	0.209	20%	0.198	C	C	.	.	H	α-helix	trans	-71	-23.2	179.9	-69.9	176	0	0	0	113.8	I72 E74 G78 M357 I361 I422 L430	I72-L76 HydrophobicContact CG2-CD1 3.96Å; I72-L76 HydrophobicContact CG2-CG 4.35Å; I72-L76 VanDerWaalsContact O-CG 3.3Å; I72-L76 WeakPolarHBondContact O-CG 3.43Å; I72-L76 PolarHBondContact O-N 2.98Å; E74-L76 VanDerWaalsContact C-N 3.33Å; E74-L76 PolarHBondContact O-N 2.95Å; L76-G78 VanDerWaalsContact C-N 3.28Å; L76-M357 HydrophobicContact CB-CG 4.24Å; L76-M357 HydrophobicContact CD1-CG 3.95Å; L76-M357 HydrophobicContact CD1-SD 4.33Å; L76-I361 HydrophobicContact CD1-CD1 3.38Å; L76-I422 HydrophobicContact CD2-CD1 3.54Å; L76-I422 HydrophobicContact CD2-CG1 3.88Å; L76-I422 HydrophobicContact CD2-CG2 4.35Å; L76-L430 HydrophobicContact CD2-CD1 4.15Å
77	R	87.9	Confident	89.9	Confident	88 Å²	88	41.8 Å²	41.8	33%	0.332	21%	0.213	S	C	.	.	H	α-helix	trans	-82.9	-6.5	171.9	-75.4	-179.4	176.3	-175.8	0	113.2	K41 G73 E74 I75 D79	K41-R77 PolarHBondContact NZ-O 3.08Å; K41-R77 VanDerWaalsContact NZ-O 3.08Å; G73-R77 WeakPolarHBondContact O-CG 3.29Å; G73-R77 PolarHBondContact O-N 2.84Å; G73-R77 VanDerWaalsContact O-N 3.17Å; E74-R77 PolarHBondContact O-N 2.89Å; E74-R77 VanDerWaalsContact O-N 3.13Å; I75-R77 VanDerWaalsContact C-N 3.31Å; I75-R77 PolarHBondContact O-N 2.85Å; R77-D79 PolarHBondContact O-N 2.86Å
78	G	89.7	Confident	90.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	24.6	-173	0	0	0	0	0	113.2	E74 I75 L76 S419	E74-G78 PolarHBondContact O-N 3.49Å; I75-G78 PolarHBondContact O-N 2.71Å; I75-G78 VanDerWaalsContact O-N 3.13Å; L76-G78 VanDerWaalsContact C-N 3.28Å; G78-S419 WeakPolarHBondContact CA-O 3.41Å; G78-S419 PolarHBondContact O-OG 3.45Å
79	D	91.2	Very high	90.7	Very high	11 Å²	11	38.3 Å²	38.3	6%	0.059	20%	0.196	C	C	.	.			trans	-76	125.1	172.5	-64.4	-16.9	0	0	0	107.5	V40 K41 E74 R77	V40-D79 HydrophobicContact CG1-CB 3.84Å; K41-D79 VanDerWaalsContact CD-OD1 3.31Å; K41-D79 WeakPolarHBondContact CD-OD1 3.3Å; K41-D79 WeakPolarHBondContact CE-OD1 3.32Å; K41-D79 IonicContact NZ-OD1 2.69Å; K41-D79 PolarHBondContact NZ-OD1 2.96Å; E74-D79 HydrophobicContact CB-CB 4.2Å; E74-D79 PolarHBondContact O-N 2.76Å; R77-D79 PolarHBondContact O-N 2.86Å
80	R	92.5	Very high	91.2	Very high	22 Å²	22	32.1 Å²	32.1	8%	0.083	16%	0.156	C	C	.	.			trans	-130	80.7	-178.9	-67.3	-74	175.5	-96.2	-8.1	108.1	V40 E52 E70 V82 S419	V40-R80 CarbonylContact O-C 3.58Å; V40-R80 PolarHBondContact O-N 2.81Å; E52-R80 HydrophobicContact CG-CB 3.97Å; E52-R80 HydrophobicContact CG-CG 3.89Å; E70-R80 WeakPolarHBondContact OE1-CA 3.16Å; E70-R80 WeakPolarHBondContact OE1-CD 3.48Å; E70-R80 IonicContact OE1-NH1 3.45Å; E70-R80 IonicContact OE2-CZ 3.14Å; E70-R80 IonicContact OE2-NE 3.44Å; E70-R80 IonicContact OE2-NH1 3.28Å; E70-R80 PolarHBondContact OE2-NH1 3.48Å; R80-V82 PolarHBondContact O-N 2.87Å; R80-S419 PolarHBondContact NH2-O 2.99Å
81	V	91.8	Very high	91.6	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.012	15%	0.15	C	C	.	.			trans	-70.3	131.9	-170.5	-175.9	0	0	0	0	109.1	K38 A39 P68	K38-V81 HydrophobicContact CB-CG1 3.93Å; K38-V81 HydrophobicContact CD-CG1 3.92Å; K38-V81 HydrophobicContact CG-CG1 4.33Å; A39-V81 CarbonylContact O-C 3.55Å; A39-V81 WeakPolarHBondContact O-CA 3.48Å; P68-V81 VanDerWaalsContact CD-O 3.32Å; P68-V81 WeakPolarHBondContact CD-O 3.48Å; P68-V81 HydrophobicContact CG-CB 3.91Å; P68-V81 HydrophobicContact CG-CG1 3.83Å
82	V	94.1	Very high	91.8	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.024	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	150.4	177.6	-66.4	0	0	0	0	110.8	K38 A39 Y53 Y54 V65 E66 Y67 R80	K38-V82 CarbonylContact C-O 3.56Å; K38-V82 WeakPolarHBondContact CA-O 3.36Å; A39-V82 HydrophobicContact CB-CG2 3.93Å; A39-V82 PolarHBondContact N-O 3.1Å; A39-V82 PolarHBondContact O-N 2.94Å; Y53-V82 HydrophobicContact CD1-CG2 4.22Å; Y54-V82 HydrophobicContact CD2-CB 4.26Å; Y54-V82 HydrophobicContact CD2-CG1 4.45Å; Y54-V82 HydrophobicContact CD2-CG2 3.81Å; Y54-V82 HydrophobicContact CE2-CB 3.99Å; Y54-V82 HydrophobicContact CE2-CG2 3.6Å; V65-V82 HydrophobicContact CG1-CB 3.93Å; V65-V82 HydrophobicContact CG1-CG1 3.83Å; E66-V82 WeakPolarHBondContact O-CA 3.32Å; Y67-V82 HydrophobicContact CD1-CG1 3.62Å; Y67-V82 HydrophobicContact CE1-CG1 3.33Å; Y67-V82 HydrophobicContact CG-CG1 4.4Å; R80-V82 PolarHBondContact O-N 2.87Å
83	N	94.2	Very high	92.1	Very high	17 Å²	17	34.7 Å²	34.7	9%	0.091	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	156.4	170.9	65.4	-17.4	0	0	0	111	E36 Y54 L64 V65 E66	E36-N83 WeakPolarHBondContact OE1-CB 3.33Å; Y54-N83 PolarHBondContact OH-O 3.33Å; L64-N83 PolarHBondContact O-ND2 2.8Å; L64-N83 VanDerWaalsContact O-ND2 3.13Å; V65-N83 WeakPolarHBondContact CA-OD1 3.47Å; E66-N83 HydrophobicContact CB-CB 4.44Å; E66-N83 PolarHBondContact N-OD1 3.2Å; E66-N83 PolarHBondContact O-N 3.05Å
84	T	94.6	Very high	92.2	Very high	12 Å²	12	36.8 Å²	36.8	7%	0.074	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	161.6	178.2	69.2	0	0	0	0	110.5	V37 A39 Y53 Y86 L125	V37-T84 WeakPolarHBondContact CB-OG1 3.44Å; V37-T84 WeakPolarHBondContact O-CB 3.43Å; V37-T84 WeakPolarHBondContact O-CG2 3.5Å; V37-T84 PolarHBondContact O-N 2.86Å; V37-T84 PolarHBondContact O-OG1 3.23Å; A39-T84 HydrophobicContact CB-CG2 3.6Å; Y53-T84 HydrophobicContact CE1-CG2 4.28Å; T84-Y86 PolarHBondContact O-N 3.36Å; T84-Y86 WeakPolarHBondContact OG1-CD2 3.26Å; T84-L125 HydrophobicContact CG2-CD2 4.49Å
85	P	93.3	Very high	92.2	Very high	24 Å²	24	39.2 Å²	39.2	16%	0.156	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	0.6	178.5	29.2	-35	0	0	0	114.8	C59 L87 V99	C59-P85 HydrophobicContact CB-CG 3.62Å; C59-P85 WeakPolarHBondContact O-CD 3.38Å; C59-P85 WeakPolarHBondContact O-CG 3.43Å; P85-L87 PolarHBondContact O-N 3.35Å; P85-V99 HydrophobicContact CB-CG1 3.95Å; P85-V99 HydrophobicContact CG-CG1 3.6Å
86	Y	93.1	Very high	92.2	Very high	14 Å²	14	38.7 Å²	38.7	6%	0.055	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	118.7	179.1	-60.4	-73.1	0	0	0	110.4	V37 T84 V99 L125 L166 F168	V37-Y86 HydrophobicContact CB-CD2 4.43Å; V37-Y86 HydrophobicContact CG1-CD2 4.18Å; T84-Y86 PolarHBondContact O-N 3.36Å; T84-Y86 WeakPolarHBondContact OG1-CD2 3.26Å; Y86-V99 HydrophobicContact CD1-CG1 4.03Å; Y86-V99 HydrophobicContact CD1-CG2 3.89Å; Y86-V99 HydrophobicContact CE1-CB 4.39Å; Y86-V99 HydrophobicContact CE1-CG1 3.95Å; Y86-V99 HydrophobicContact CE1-CG2 3.52Å; Y86-L125 HydrophobicContact CE2-CD1 4.43Å; Y86-L166 HydrophobicContact CE1-CD1 4.29Å; Y86-L166 HydrophobicContact CE2-CD1 4.44Å; Y86-L166 VanDerWaalsContact OH-CD1 3.26Å; Y86-L166 WeakPolarHBondContact OH-CD1 3.35Å; Y86-F168 AromaticContact CD1-CE2 3.82Å; Y86-F168 HydrophobicContact CD1-CE2 3.82Å; Y86-F168 AromaticContact CD1-CZ 3.83Å; Y86-F168 HydrophobicContact CD1-CZ 3.83Å; Y86-F168 HydrophobicContact CD2-CZ 4.19Å; Y86-F168 AromaticContact CE1-CE2 3.96Å; Y86-F168 HydrophobicContact CE1-CE2 3.96Å; Y86-F168 AromaticContact CE1-CZ 3.97Å; Y86-F168 HydrophobicContact CE1-CZ 3.97Å; Y86-F168 HydrophobicContact CE2-CZ 4.37Å; Y86-F168 HydrophobicContact CG-CE2 4.37Å; Y86-F168 AromaticContact CG-CZ 3.96Å; Y86-F168 HydrophobicContact CG-CZ 3.96Å
87	L	86.8	Confident	92.2	Very high	155 Å²	155	38.4 Å²	38.4	81%	0.812	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	102.5	178	-63.4	174	0	0	0	109.2	P85	P85-L87 PolarHBondContact O-N 3.35Å
88	I	93.6	Very high	92.4	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.6	179.6	-58.3	-168.9	0	0	0	108.6	I35 V37 I127 F168 L170 V232 W234	I35-I88 HydrophobicContact CB-CB 4.42Å; I35-I88 HydrophobicContact CB-CG2 4.45Å; I35-I88 PolarHBondContact N-O 3.3Å; V37-I88 HydrophobicContact CG2-CD1 3.41Å; V37-I88 VanDerWaalsContact CG2-CD1 3.41Å; V37-I88 HydrophobicContact CG2-CG1 3.82Å; I88-I127 HydrophobicContact CD1-CD1 4.23Å; I88-F168 HydrophobicContact CD1-CD1 3.94Å; I88-F168 HydrophobicContact CD1-CE1 4.31Å; I88-F168 HydrophobicContact CD1-CG 4.15Å; I88-L170 HydrophobicContact CD1-CD1 3.93Å; I88-L170 HydrophobicContact CG2-CD1 3.61Å; I88-V232 HydrophobicContact CD1-CG2 4.15Å; I88-V232 HydrophobicContact CG1-CG2 4.07Å; I88-V232 HydrophobicContact CG2-CG1 4.16Å; I88-W234 HydrophobicContact CG2-CZ2 3.82Å
89	K	94.5	Very high	92.5	Very high	100 Å²	100	37.8 Å²	37.8	44%	0.435	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	140.5	173.2	-71.3	-178.6	176.8	-175.6	0	110.6	D33 A91 E92 W234	D33-K89 CarbonylContact O-C 3.58Å; D33-K89 WeakPolarHBondContact O-CA 3.44Å; K89-A91 PolarHBondContact O-N 2.97Å; K89-E92 HydrophobicContact CB-CB 4.03Å; K89-E92 HydrophobicContact CB-CG 4.35Å; K89-E92 WeakPolarHBondContact CD-OE2 3.25Å; K89-E92 IonicContact NZ-OE2 3.97Å; K89-E92 PolarHBondContact O-N 2.97Å; K89-W234 PolarHBondContact O-NE1 3.46Å
90	M	93.6	Very high	92.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	127.1	-176.1	-169.1	61.5	180	0	0	111.7	F29 N30 G32 D33 I35 E92 Y172 Y180 W234	F29-M90 HydrophobicContact CB-CB 4.33Å; F29-M90 HydrophobicContact CB-CG 3.81Å; F29-M90 HydrophobicContact CB-SD 4.27Å; N30-M90 WeakPolarHBondContact O-CB 3.04Å; G32-M90 PolarHBondContact N-O 3.48Å; D33-M90 HydrophobicContact CB-CB 4.46Å; D33-M90 PolarHBondContact O-N 3.29Å; I35-M90 HydrophobicContact CD1-CB 4Å; I35-M90 HydrophobicContact CD1-CG 4.35Å; I35-M90 HydrophobicContact CD1-SD 3.43Å; I35-M90 WeakPolarHBondContact CD1-SD 3.44Å; I35-M90 HydrophobicContact CG1-CB 4.45Å; M90-E92 PolarHBondContact O-N 3.36Å; M90-Y172 VanDerWaalsContact CE-CB 3.42Å; M90-Y172 HydrophobicContact CE-CG 4.29Å; M90-Y180 HydrophobicContact CE-CG 4.26Å; M90-W234 HydrophobicContact CE-CH2 4.2Å; M90-W234 HydrophobicContact CE-CZ3 4.09Å; M90-W234 HydrophobicContact SD-CH2 3.38Å; M90-W234 WeakPolarHBondContact SD-CH2 3.48Å; M90-W234 HydrophobicContact SD-CZ2 3.86Å; M90-W234 HydrophobicContact SD-CZ3 3.86Å
91	A	91.8	Very high	92.2	Very high	18 Å²	18	41.9 Å²	41.9	15%	0.149	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	28.6	178.9	0	0	0	0	0	114.8	K31 K89 Y172 Y180	K31-A91 HydrophobicContact CG-CB 4.32Å; K89-A91 PolarHBondContact O-N 2.97Å; A91-Y172 HydrophobicContact CB-CD1 4.23Å; A91-Y172 HydrophobicContact CB-CE1 3.94Å; A91-Y180 HydrophobicContact CB-CD1 4.5Å; A91-Y180 HydrophobicContact CB-CE1 4.3Å
92	E	94.2	Very high	91.9	Very high	72 Å²	72	44.6 Å²	44.6	34%	0.336	26%	0.258	S	S	.	.			trans	-119.6	116.6	172.3	-69.7	-175.1	-175.2	0	0	109.9	K89 M90 W234	K89-E92 HydrophobicContact CB-CB 4.03Å; K89-E92 HydrophobicContact CB-CG 4.35Å; K89-E92 WeakPolarHBondContact CD-OE2 3.25Å; K89-E92 IonicContact NZ-OE2 3.97Å; K89-E92 PolarHBondContact O-N 2.97Å; M90-E92 PolarHBondContact O-N 3.36Å; E92-W234 VanDerWaalsContact O-CD1 3.24Å; E92-W234 PolarHBondContact O-NE1 3.42Å
93	N	94.5	Very high	91.5	Very high	108 Å²	108	47.2 Å²	47.2	58%	0.578	27%	0.269	S	S	*	.			trans	-73.5	136.7	175.5	-66.3	-13.1	0	0	0	109.7	V232 W234	N93-V232 WeakPolarHBondContact CA-O 3.32Å; N93-W234 WeakPolarHBondContact OD1-CB 3.4Å; N93-W234 PolarHBondContact OD1-N 3.04Å
94	T	92	Very high	91.3	Very high	43 Å²	43	50.2 Å²	50.2	26%	0.264	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	120.3	173.5	63.6	0	0	0	0	108.8	V232	T94-V232 PolarHBondContact N-O 3.22Å; T94-V232 PolarHBondContact O-N 2.86Å; T94-V232 WeakPolarHBondContact OG1-CB 3.18Å; T94-V232 WeakPolarHBondContact OG1-CG2 3.39Å; T94-V232 PolarHBondContact OG1-N 3.35Å
95	A	90.9	Very high	91.1	Very high	68 Å²	68	49.7 Å²	49.7	56%	0.562	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59	162.7	170.3	0	0	0	0	0	110.7	S97	A95-S97 PolarHBondContact O-N 3.47Å; A95-S97 VanDerWaalsContact O-N 3.12Å; A95-S97 PolarHBondContact O-OG 3.36Å
96	C	91.3	Very high	91	Very high	11 Å²	11	50.9 Å²	50.9	7%	0.074	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-48	121.4	177.1	178.2	0	0	0	0	111.1	V203 C204 L207 S230	C96-V203 WeakPolarHBondContact O-CG1 3.43Å; C96-C204 HydrophobicContact CB-CB 3.55Å; C96-C204 WeakPolarHBondContact CB-SG 3.41Å; C96-C204 PolarHBondContact O-N 3.35Å; C96-C204 PolarHBondContact O-SG 2.73Å; C96-C204 WeakPolarHBondContact SG-CB 3.41Å; C96-C204 CovalentContact SG-SG 2.05Å; C96-C204 PolarHBondContact SG-SG 2.91Å; C96-L207 HydrophobicContact CB-CD1 4.27Å; C96-L207 WeakPolarHBondContact SG-CD1 3.49Å; C96-S230 WeakPolarHBondContact CA-O 2.87Å
97	S	91.5	Very high	90.9	Very high	33 Å²	33	51.5 Å²	51.5	23%	0.231	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	155.3	-179.3	51.9	0	0	0	0	111.6	A95 G202 T229 S230	A95-S97 PolarHBondContact O-N 3.47Å; A95-S97 VanDerWaalsContact O-N 3.12Å; A95-S97 PolarHBondContact O-OG 3.36Å; S97-G202 CarbonylContact C-O 3.46Å; S97-G202 WeakPolarHBondContact CA-O 3.19Å; S97-G202 WeakPolarHBondContact CB-O 3.44Å; S97-T229 CarbonylContact O-C 3.53Å; S97-T229 WeakPolarHBondContact O-CA 3.42Å; S97-T229 WeakPolarHBondContact O-CB 3.21Å; S97-S230 PolarHBondContact N-O 3.16Å; S97-S230 PolarHBondContact O-N 2.89Å
98	E	91.1	Very high	91.2	Very high	52 Å²	52	47.7 Å²	47.7	24%	0.243	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	132.4	173.8	-71	-165.4	125.6	0	0	111.3	L199 G202 H227 T229	E98-L199 HydrophobicContact CG-CD1 3.86Å; E98-L199 HydrophobicContact CG-CD2 3.5Å; E98-L199 HydrophobicContact CG-CG 4.24Å; E98-L199 WeakPolarHBondContact OE1-CD1 3.39Å; E98-G202 PolarHBondContact N-O 3.43Å; E98-H227 IonicContact OE1-CE1 3.97Å; E98-H227 IonicContact OE1-ND1 3.04Å; E98-H227 PolarHBondContact OE1-ND1 3.44Å; E98-T229 HydrophobicContact CG-CG2 4.25Å
99	V	90.9	Very high	91.2	Very high	24 Å²	24	50.8 Å²	50.8	15%	0.145	31%	0.311	C	S	.	.	S	Bend	trans	-78.9	-41.5	177.1	-178.8	0	0	0	0	110.4	C59 P85 Y86 F228 S230	C59-V99 HydrophobicContact CB-CG1 4.35Å; P85-V99 HydrophobicContact CB-CG1 3.95Å; P85-V99 HydrophobicContact CG-CG1 3.6Å; Y86-V99 HydrophobicContact CD1-CG1 4.03Å; Y86-V99 HydrophobicContact CD1-CG2 3.89Å; Y86-V99 HydrophobicContact CE1-CB 4.39Å; Y86-V99 HydrophobicContact CE1-CG1 3.95Å; Y86-V99 HydrophobicContact CE1-CG2 3.52Å; V99-F228 HydrophobicContact CB-CB 4.31Å; V99-F228 HydrophobicContact CG2-CB 4.48Å; V99-F228 PolarHBondContact N-O 3.05Å; V99-S230 WeakPolarHBondContact CG2-OG 3.28Å
100	C	90.4	Very high	91.1	Very high	19 Å²	19	46 Å²	46	13%	0.128	29%	0.291	C	S	.	.	S	Bend	trans	-149.8	160.2	177.7	78.2	0	0	0	0	111	C59	C59-C100 HydrophobicContact CB-CB 3.65Å; C59-C100 WeakPolarHBondContact CB-SG 3.26Å; C59-C100 WeakPolarHBondContact SG-CB 3.3Å; C59-C100 CovalentContact SG-SG 2.04Å; C59-C100 PolarHBondContact SG-SG 3.27Å
101	P	88.1	Confident	91.2	Very high	100 Å²	100	50 Å²	50	65%	0.649	32%	0.315	S	S	*	.			trans	-56	143.5	175.5	-23.3	33.6	0	0	0	111.1	F103	P101-F103 PolarHBondContact O-N 3.09Å
102	P	84.8	Confident	91.3	Very high	59 Å²	59	51.7 Å²	51.7	38%	0.383	32%	0.321	S	S	.	.			trans	-59.3	136.4	177.4	23.5	-33	0	0	0	110.8	V225 H227	P102-V225 HydrophobicContact CB-CG1 3.88Å; P102-H227 WeakPolarHBondContact CB-CE1 3.48Å
103	F	86.3	Confident	91.3	Very high	59 Å²	59	48.4 Å²	48.4	26%	0.259	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	147.6	177.4	60.6	-89.2	0	0	0	111	P57 P101 I105 I226 F228	P57-F103 HydrophobicContact CB-CE2 4.35Å; P57-F103 WeakPolarHBondContact O-CE2 3.46Å; P57-F103 WeakPolarHBondContact O-CZ 3.32Å; P101-F103 PolarHBondContact O-N 3.09Å; F103-I105 HydrophobicContact CD2-CG1 4.27Å; F103-I105 HydrophobicContact CE2-CD1 4.46Å; F103-I105 HydrophobicContact CE2-CG1 4Å; F103-I226 PolarHBondContact O-N 3.14Å; F103-F228 HydrophobicContact CE1-CD2 4.05Å; F103-F228 HydrophobicContact CE1-CE2 4.03Å; F103-F228 HydrophobicContact CZ-CD2 4.22Å; F103-F228 AromaticContact CZ-CE2 3.72Å; F103-F228 HydrophobicContact CZ-CE2 3.72Å
104	T	89.8	Confident	91.3	Very high	79 Å²	79	46.7 Å²	46.7	49%	0.485	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	125.6	-179.8	-47.6	0	0	0	0	110.1	E223 V225	T104-E223 HydrophobicContact CG2-CG 3.4Å; T104-E223 WeakPolarHBondContact CG2-OE1 3.31Å; T104-V225 HydrophobicContact CG2-CG2 4.38Å
105	I	90	Very high	91.4	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	115.3	174	-60.8	-175.5	0	0	0	108.4	P57 F103 N109 A110 L113 E223 T224 I226	P57-I105 HydrophobicContact CB-CD1 4.49Å; P57-I105 HydrophobicContact CG-CD1 3.87Å; P57-I105 HydrophobicContact CG-CG1 4.33Å; P57-I105 HydrophobicContact CG-CG2 4.11Å; F103-I105 HydrophobicContact CD2-CG1 4.27Å; F103-I105 HydrophobicContact CE2-CD1 4.46Å; F103-I105 HydrophobicContact CE2-CG1 4Å; I105-N109 HydrophobicContact CG2-CB 3.53Å; I105-A110 HydrophobicContact CG2-CB 4.13Å; I105-L113 HydrophobicContact CD1-CD2 4.08Å; I105-E223 VanDerWaalsContact O-CA 3.32Å; I105-E223 WeakPolarHBondContact O-CA 3.45Å; I105-E223 WeakPolarHBondContact O-CG 3.48Å; I105-T224 PolarHBondContact N-O 3.49Å; I105-T224 PolarHBondContact O-N 2.83Å; I105-I226 HydrophobicContact CD1-CB 4.25Å; I105-I226 HydrophobicContact CD1-CD1 3.26Å; I105-I226 HydrophobicContact CD1-CG1 3.66Å; I105-I226 HydrophobicContact CG1-CD1 4.39Å; I105-I226 HydrophobicContact CG1-CG1 4.35Å
106	S	92	Very high	91.5	Very high	48 Å²	48	45.9 Å²	45.9	34%	0.336	27%	0.273	S	S	.	.			trans	-51.6	151.1	174	69.8	0	0	0	0	112.5	A108 N109 A110	S106-A108 PolarHBondContact O-N 3.4Å; S106-A108 VanDerWaalsContact O-N 3.16Å; S106-N109 PolarHBondContact O-N 3.4Å; S106-N109 PolarHBondContact OG-N 2.84Å; S106-N109 PolarHBondContact OG-ND2 2.88Å; S106-A110 PolarHBondContact O-N 3.16Å
107	G	91.6	Very high	91.7	Very high	27 Å²	27	45.4 Å²	45.4	28%	0.278	27%	0.269	S	S	.	.	H	α-helix	trans	-52.1	-40.1	178.9	0	0	0	0	0	113.8	A110 V111	G107-A110 PolarHBondContact O-N 3.38Å; G107-V111 WeakPolarHBondContact O-CG2 3.32Å; G107-V111 PolarHBondContact O-N 3.37Å
108	A	92.3	Very high	91.8	Very high	76 Å²	76	47.1 Å²	47.1	63%	0.628	28%	0.276	S	S	*	.	H	α-helix	trans	-62.5	-45.2	177	0	0	0	0	0	112.8	S106 A110 V111 L112	S106-A108 PolarHBondContact O-N 3.4Å; S106-A108 VanDerWaalsContact O-N 3.16Å; A108-A110 VanDerWaalsContact C-N 3.33Å; A108-V111 PolarHBondContact O-N 3.16Å; A108-L112 PolarHBondContact O-N 2.9Å
109	N	93.1	Very high	91.8	Very high	68 Å²	68	46.1 Å²	46.1	36%	0.364	27%	0.272	S	S	.	.	H	α-helix	trans	-69.8	-31.4	176.7	-73.3	-17.4	0	0	0	112	P57 I105 S106 L112 L113	P57-N109 HydrophobicContact CG-CB 4.23Å; I105-N109 HydrophobicContact CG2-CB 3.53Å; S106-N109 PolarHBondContact O-N 3.4Å; S106-N109 PolarHBondContact OG-N 2.84Å; S106-N109 PolarHBondContact OG-ND2 2.88Å; N109-L112 PolarHBondContact O-N 3.39Å; N109-L113 VanDerWaalsContact O-CB 3.24Å; N109-L113 WeakPolarHBondContact O-CB 3.11Å; N109-L113 PolarHBondContact O-N 3.02Å
110	A	93.7	Very high	91.9	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.008	28%	0.28	C	S	.	.	H	α-helix	trans	-66.8	-38	174	0	0	0	0	0	111.5	I105 S106 G107 A108 R114 I219 K222	I105-A110 HydrophobicContact CG2-CB 4.13Å; S106-A110 PolarHBondContact O-N 3.16Å; G107-A110 PolarHBondContact O-N 3.38Å; A108-A110 VanDerWaalsContact C-N 3.33Å; A110-R114 VanDerWaalsContact O-CB 3.27Å; A110-R114 WeakPolarHBondContact O-CB 3.13Å; A110-R114 PolarHBondContact O-N 3.17Å; A110-I219 WeakPolarHBondContact O-CG2 3.45Å; A110-K222 WeakPolarHBondContact CB-O 2.98Å
111	V	94.7	Very high	92.1	Very high	83 Å²	83	47.6 Å²	47.6	50%	0.503	28%	0.275	S	S	.	.	H	α-helix	trans	-64.5	-44.3	172.2	173.1	0	0	0	0	111	G107 A108 R114 H115 G221	G107-V111 WeakPolarHBondContact O-CG2 3.32Å; G107-V111 PolarHBondContact O-N 3.37Å; A108-V111 PolarHBondContact O-N 3.16Å; V111-R114 WeakPolarHBondContact O-CB 3.28Å; V111-R114 PolarHBondContact O-N 2.84Å; V111-H115 WeakPolarHBondContact O-CB 3.36Å; V111-H115 PolarHBondContact O-N 2.88Å; V111-G221 WeakPolarHBondContact CG2-O 3.46Å
112	L	93.7	Very high	92.4	Very high	53 Å²	53	43.4 Å²	43.4	28%	0.277	25%	0.248	S	C	.	.	H	α-helix	trans	-60.3	-48.6	176	-177.2	68.6	0	0	0	111.3	L56 A108 N109 R114 H115 F116	L56-L112 HydrophobicContact CD2-CD2 4.33Å; L56-L112 HydrophobicContact CD2-CG 4.23Å; A108-L112 PolarHBondContact O-N 2.9Å; N109-L112 PolarHBondContact O-N 3.39Å; L112-R114 PolarHBondContact O-N 2.69Å; L112-H115 WeakPolarHBondContact O-CB 3.33Å; L112-H115 PolarHBondContact O-N 2.86Å; L112-F116 HydrophobicContact CD1-CD2 4.09Å; L112-F116 HydrophobicContact CD1-CE2 3.61Å; L112-F116 HydrophobicContact CG-CD2 4.31Å; L112-F116 HydrophobicContact CG-CE2 4.13Å; L112-F116 VanDerWaalsContact O-CD2 3.25Å; L112-F116 WeakPolarHBondContact O-CD2 3.22Å; L112-F116 PolarHBondContact O-N 2.97Å
113	L	94.6	Very high	92.9	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-60.8	-44.2	178.1	-177.6	63.1	0	0	0	111.4	L56 I105 N109 H115 F116 I117 L152 I162 I219 I226	L56-L113 HydrophobicContact CD1-CD1 4.19Å; L56-L113 HydrophobicContact CD2-CD1 4.27Å; I105-L113 HydrophobicContact CD1-CD2 4.08Å; N109-L113 VanDerWaalsContact O-CB 3.24Å; N109-L113 WeakPolarHBondContact O-CB 3.11Å; N109-L113 PolarHBondContact O-N 3.02Å; L113-H115 VanDerWaalsContact C-N 3.32Å; L113-H115 PolarHBondContact O-N 2.86Å; L113-F116 PolarHBondContact O-N 3.01Å; L113-I117 HydrophobicContact CD1-CD1 4.48Å; L113-I117 HydrophobicContact CG-CD1 4.15Å; L113-I117 WeakPolarHBondContact O-CG1 3.46Å; L113-I117 PolarHBondContact O-N 3.15Å; L113-L152 HydrophobicContact CD1-CD1 4.33Å; L113-L152 HydrophobicContact CD1-CD2 4.1Å; L113-L152 HydrophobicContact CD1-CG 4.44Å; L113-I162 HydrophobicContact CD1-CD1 4.18Å; L113-I162 HydrophobicContact CD2-CD1 3.74Å; L113-I162 HydrophobicContact CG-CD1 4.4Å; L113-I219 HydrophobicContact CD2-CD1 4.15Å; L113-I219 HydrophobicContact CD2-CG1 4.3Å; L113-I219 HydrophobicContact CD2-CG2 4.41Å; L113-I226 HydrophobicContact CD2-CD1 3.96Å
114	R	94.9	Very high	93.3	Very high	73 Å²	73	38 Å²	38	28%	0.275	22%	0.219	S	C	.	.	H	α-helix	trans	-56.3	-46.5	173.6	-175.2	177.1	179.7	149.8	9.3	111.4	A110 V111 L112 F116 I117 L118 A160 I219 D220	A110-R114 VanDerWaalsContact O-CB 3.27Å; A110-R114 WeakPolarHBondContact O-CB 3.13Å; A110-R114 PolarHBondContact O-N 3.17Å; V111-R114 WeakPolarHBondContact O-CB 3.28Å; V111-R114 PolarHBondContact O-N 2.84Å; L112-R114 PolarHBondContact O-N 2.69Å; R114-F116 VanDerWaalsContact C-N 3.33Å; R114-F116 PolarHBondContact O-N 3.18Å; R114-I117 PolarHBondContact O-N 3.48Å; R114-L118 HydrophobicContact CG-CD1 4.08Å; R114-L118 HydrophobicContact CG-CG 4.4Å; R114-L118 WeakPolarHBondContact O-CG 3.38Å; R114-L118 PolarHBondContact O-N 3.48Å; R114-A160 HydrophobicContact CG-CB 4.05Å; R114-I219 HydrophobicContact CB-CG2 3.96Å; R114-I219 WeakPolarHBondContact CD-O 3.32Å; R114-D220 VanDerWaalsContact NH1-C 3.29Å; R114-D220 PolarHBondContact NH1-O 3.31Å; R114-D220 IonicContact NH1-OD1 2.78Å
115	H	93.1	Very high	93.6	Very high	86 Å²	86	34.3 Å²	34.3	40%	0.398	20%	0.196	S	C	.	.	H	α-helix	trans	-60.5	-41.9	179.2	177.9	77.1	0	0	0	111.9	V111 L112 L113 L118 N119	V111-H115 WeakPolarHBondContact O-CB 3.36Å; V111-H115 PolarHBondContact O-N 2.88Å; L112-H115 WeakPolarHBondContact O-CB 3.33Å; L112-H115 PolarHBondContact O-N 2.86Å; L113-H115 VanDerWaalsContact C-N 3.32Å; L113-H115 PolarHBondContact O-N 2.86Å; H115-L118 PolarHBondContact O-N 3.02Å; H115-N119 PolarHBondContact CE1-ND2 2.91Å; H115-N119 PolarHBondContact NE2-ND2 2.86Å; H115-N119 WeakPolarHBondContact O-CB 3.47Å; H115-N119 PolarHBondContact O-N 2.93Å
116	F	94.6	Very high	93.7	Very high	8 Å²	8	34.5 Å²	34.5	4%	0.035	20%	0.197	C	C	.	.	H	α-helix	trans	-68.3	-36.1	177	-83	-121.8	0	0	0	112.5	L42 F51 L56 L112 L113 R114 N119 Q120 Y121 L152	L42-F116 HydrophobicContact CD1-CD1 4.26Å; L42-F116 HydrophobicContact CD1-CE1 4.08Å; F51-F116 HydrophobicContact CB-CE1 4.24Å; F51-F116 HydrophobicContact CD1-CZ 4.46Å; F51-F116 AromaticContact CD2-CE1 3.92Å; F51-F116 HydrophobicContact CD2-CE1 3.92Å; F51-F116 AromaticContact CD2-CZ 4Å; F51-F116 HydrophobicContact CD2-CZ 4Å; F51-F116 HydrophobicContact CE2-CZ 4.3Å; F51-F116 HydrophobicContact CG-CE1 4.09Å; F51-F116 HydrophobicContact CG-CZ 4.09Å; L56-F116 HydrophobicContact CD1-CB 4.35Å; L56-F116 HydrophobicContact CD1-CD1 3.95Å; L56-F116 HydrophobicContact CD1-CG 4.32Å; L56-F116 HydrophobicContact CD2-CB 4.34Å; L56-F116 HydrophobicContact CD2-CD1 4.05Å; L56-F116 HydrophobicContact CD2-CD2 4.19Å; L56-F116 HydrophobicContact CD2-CE1 4.4Å; L56-F116 HydrophobicContact CD2-CG 3.93Å; L56-F116 HydrophobicContact CG-CD1 4.21Å; L56-F116 HydrophobicContact CG-CE1 4.5Å; L112-F116 HydrophobicContact CD1-CD2 4.09Å; L112-F116 HydrophobicContact CD1-CE2 3.61Å; L112-F116 HydrophobicContact CG-CD2 4.31Å; L112-F116 HydrophobicContact CG-CE2 4.13Å; L112-F116 VanDerWaalsContact O-CD2 3.25Å; L112-F116 WeakPolarHBondContact O-CD2 3.22Å; L112-F116 PolarHBondContact O-N 2.97Å; L113-F116 PolarHBondContact O-N 3.01Å; R114-F116 VanDerWaalsContact C-N 3.33Å; R114-F116 PolarHBondContact O-N 3.18Å; F116-N119 CarbonylContact O-C 3.57Å; F116-N119 PolarHBondContact O-N 3.43Å; F116-Q120 PolarHBondContact O-N 3.2Å; F116-Y121 HydrophobicContact CB-CD2 3.96Å; F116-Y121 HydrophobicContact CB-CG 4.32Å; F116-Y121 AromaticContact CD1-CD1 3.89Å; F116-Y121 HydrophobicContact CD1-CD1 3.89Å; F116-Y121 AromaticContact CD1-CD2 3.73Å; F116-Y121 HydrophobicContact CD1-CD2 3.73Å; F116-Y121 HydrophobicContact CD1-CE1 4.17Å; F116-Y121 AromaticContact CD1-CE2 3.98Å; F116-Y121 HydrophobicContact CD1-CE2 3.98Å; F116-Y121 AromaticContact CD1-CG 3.65Å; F116-Y121 HydrophobicContact CD1-CG 3.65Å; F116-Y121 HydrophobicContact CE1-CD1 4.16Å; F116-Y121 HydrophobicContact CE1-CD2 4.46Å; F116-Y121 HydrophobicContact CE1-CE1 4.05Å; F116-Y121 HydrophobicContact CE1-CE2 4.32Å; F116-Y121 HydrophobicContact CE1-CG 4.35Å; F116-Y121 AromaticContact CG-CD2 3.94Å; F116-Y121 HydrophobicContact CG-CD2 3.94Å; F116-Y121 HydrophobicContact CG-CE2 4.18Å; F116-Y121 HydrophobicContact CG-CG 4.27Å; F116-Y121 VanDerWaalsContact O-CD2 3.31Å; F116-Y121 WeakPolarHBondContact O-CD2 3.3Å; F116-Y121 PolarHBondContact O-N 2.95Å; F116-L152 HydrophobicContact CB-CD2 3.61Å
117	I	95.1	Very high	93.7	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-66.9	-45.5	174.7	-65	164.5	0	0	0	110.7	L113 R114 N119 Q120 L152 V155 A160 I162 I219	L113-I117 HydrophobicContact CD1-CD1 4.48Å; L113-I117 HydrophobicContact CG-CD1 4.15Å; L113-I117 WeakPolarHBondContact O-CG1 3.46Å; L113-I117 PolarHBondContact O-N 3.15Å; R114-I117 PolarHBondContact O-N 3.48Å; I117-N119 VanDerWaalsContact C-N 3.27Å; I117-N119 PolarHBondContact O-N 2.75Å; I117-Q120 WeakPolarHBondContact O-CA 3.35Å; I117-Q120 PolarHBondContact O-N 2.98Å; I117-L152 HydrophobicContact CG1-CD2 3.96Å; I117-L152 HydrophobicContact CG1-CG 3.93Å; I117-V155 HydrophobicContact CG2-CG2 4.04Å; I117-A160 HydrophobicContact CB-CB 4.03Å; I117-A160 HydrophobicContact CD1-CB 4.47Å; I117-A160 HydrophobicContact CG2-CB 3.67Å; I117-I162 HydrophobicContact CD1-CB 3.98Å; I117-I162 HydrophobicContact CD1-CG1 4.45Å; I117-I219 HydrophobicContact CD1-CB 4.4Å; I117-I219 HydrophobicContact CD1-CG1 4.07Å
118	L	93.2	Very high	93.6	Very high	69 Å²	69	32.2 Å²	32.2	36%	0.361	18%	0.175	S	C	.	.	H	α-helix	trans	-61.3	-37.4	177.3	-71.5	175.4	0	0	0	112.3	R114 H115 Q120 V155 A160	R114-L118 HydrophobicContact CG-CD1 4.08Å; R114-L118 HydrophobicContact CG-CG 4.4Å; R114-L118 WeakPolarHBondContact O-CG 3.38Å; R114-L118 PolarHBondContact O-N 3.48Å; H115-L118 PolarHBondContact O-N 3.02Å; L118-Q120 PolarHBondContact O-N 3.36Å; L118-V155 HydrophobicContact CD2-CG1 4.03Å; L118-V155 HydrophobicContact CD2-CG2 4.11Å; L118-A160 HydrophobicContact CD2-CB 4.43Å; L118-A160 HydrophobicContact CG-CB 4.5Å
119	N	91.8	Very high	93.4	Very high	31 Å²	31	31.6 Å²	31.6	17%	0.166	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	13.1	173.9	-76.4	-23.3	0	0	0	113.5	S44 T47 H115 F116 I117 Y121	S44-N119 VanDerWaalsContact CB-O 3.28Å; S44-N119 WeakPolarHBondContact CB-O 3.12Å; S44-N119 PolarHBondContact OG-O 2.88Å; T47-N119 HydrophobicContact CG2-CB 3.95Å; H115-N119 PolarHBondContact CE1-ND2 2.91Å; H115-N119 PolarHBondContact NE2-ND2 2.86Å; H115-N119 WeakPolarHBondContact O-CB 3.47Å; H115-N119 PolarHBondContact O-N 2.93Å; F116-N119 CarbonylContact O-C 3.57Å; F116-N119 PolarHBondContact O-N 3.43Å; I117-N119 VanDerWaalsContact C-N 3.27Å; I117-N119 PolarHBondContact O-N 2.75Å; N119-Y121 VanDerWaalsContact C-N 3.31Å; N119-Y121 HydrophobicContact CB-CD2 3.88Å; N119-Y121 HydrophobicContact CB-CE2 3.74Å; N119-Y121 PolarHBondContact O-N 2.81Å
120	Q	91.6	Very high	93.2	Very high	67 Å²	67	28.3 Å²	28.3	31%	0.313	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	43.6	173.1	-55.7	-159.6	22.9	0	0	114.9	Y45 L46 F116 I117 L118	Y45-Q120 HydrophobicContact CD1-CB 4.45Å; Y45-Q120 HydrophobicContact CE1-CB 3.6Å; Y45-Q120 HydrophobicContact CE1-CG 4.24Å; Y45-Q120 VanDerWaalsContact CE1-OE1 3.22Å; Y45-Q120 PolarHBondContact OH-NE2 3.09Å; Y45-Q120 VanDerWaalsContact OH-NE2 3.08Å; Y45-Q120 PolarHBondContact OH-OE1 2.9Å; L46-Q120 HydrophobicContact CD1-CB 4.29Å; L46-Q120 HydrophobicContact CD1-CG 4.14Å; F116-Q120 PolarHBondContact O-N 3.2Å; I117-Q120 WeakPolarHBondContact O-CA 3.35Å; I117-Q120 PolarHBondContact O-N 2.98Å; L118-Q120 PolarHBondContact O-N 3.36Å
121	Y	94.7	Very high	93.1	Very high	6 Å²	6	28.8 Å²	28.8	2%	0.024	15%	0.147	C	C	.	.			trans	-64.2	138.4	173.2	-82.7	-97.3	0	0	0	111.5	L42 T43 T47 L49 F51 F116 N119 L152	L42-Y121 HydrophobicContact CB-CD1 4.04Å; T43-Y121 VanDerWaalsContact C-CD1 3.45Å; T43-Y121 CarbonylContact O-C 3.59Å; T43-Y121 VanDerWaalsContact O-CA 3.29Å; T43-Y121 WeakPolarHBondContact O-CA 3.41Å; T47-Y121 WeakPolarHBondContact CB-OH 3.2Å; T47-Y121 HydrophobicContact CG2-CE2 4.05Å; T47-Y121 PolarHBondContact OG1-OH 3.05Å; L49-Y121 WeakPolarHBondContact O-CE1 3.43Å; F51-Y121 AromaticContact CD2-CE1 3.74Å; F51-Y121 HydrophobicContact CD2-CE1 3.74Å; F51-Y121 AromaticContact CD2-CZ 4Å; F51-Y121 HydrophobicContact CE2-CE1 4.18Å; F51-Y121 AromaticContact CE2-CZ 4Å; F51-Y121 WeakPolarHBondContact CE2-OH 2.79Å; F116-Y121 HydrophobicContact CB-CD2 3.96Å; F116-Y121 HydrophobicContact CB-CG 4.32Å; F116-Y121 AromaticContact CD1-CD1 3.89Å; F116-Y121 HydrophobicContact CD1-CD1 3.89Å; F116-Y121 AromaticContact CD1-CD2 3.73Å; F116-Y121 HydrophobicContact CD1-CD2 3.73Å; F116-Y121 HydrophobicContact CD1-CE1 4.17Å; F116-Y121 AromaticContact CD1-CE2 3.98Å; F116-Y121 HydrophobicContact CD1-CE2 3.98Å; F116-Y121 AromaticContact CD1-CG 3.65Å; F116-Y121 HydrophobicContact CD1-CG 3.65Å; F116-Y121 HydrophobicContact CE1-CD1 4.16Å; F116-Y121 HydrophobicContact CE1-CD2 4.46Å; F116-Y121 HydrophobicContact CE1-CE1 4.05Å; F116-Y121 HydrophobicContact CE1-CE2 4.32Å; F116-Y121 HydrophobicContact CE1-CG 4.35Å; F116-Y121 AromaticContact CG-CD2 3.94Å; F116-Y121 HydrophobicContact CG-CD2 3.94Å; F116-Y121 HydrophobicContact CG-CE2 4.18Å; F116-Y121 HydrophobicContact CG-CG 4.27Å; F116-Y121 VanDerWaalsContact O-CD2 3.31Å; F116-Y121 WeakPolarHBondContact O-CD2 3.3Å; F116-Y121 PolarHBondContact O-N 2.95Å; N119-Y121 VanDerWaalsContact C-N 3.31Å; N119-Y121 HydrophobicContact CB-CD2 3.88Å; N119-Y121 HydrophobicContact CB-CE2 3.74Å; N119-Y121 PolarHBondContact O-N 2.81Å; Y121-L152 WeakPolarHBondContact O-CB 3.34Å; Y121-L152 PolarHBondContact O-N 2.84Å
122	S	94.5	Very high	93	Very high	12 Å²	12	24.9 Å²	24.9	8%	0.084	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	144.2	169.9	-60.4	0	0	0	0	109.9	L42 T43 Y150	L42-S122 WeakPolarHBondContact CA-O 3.06Å; T43-S122 PolarHBondContact N-O 3.12Å; T43-S122 PolarHBondContact O-N 3.36Å; S122-Y150 CarbonylContact C-O 3.53Å; S122-Y150 WeakPolarHBondContact CA-O 3.38Å
123	V	95.8	Very high	92.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	129	176.7	-178.5	0	0	0	0	108.8	L42 Y53 F58 L125 G149 Y150 L152	L42-V123 HydrophobicContact CD2-CB 4.15Å; L42-V123 HydrophobicContact CD2-CG1 4.23Å; L42-V123 HydrophobicContact CD2-CG2 3.63Å; Y53-V123 HydrophobicContact CD2-CG1 3.82Å; Y53-V123 HydrophobicContact CE2-CG1 3.54Å; F58-V123 HydrophobicContact CZ-CG2 4.18Å; V123-L125 HydrophobicContact CG1-CD2 4.08Å; V123-L125 HydrophobicContact CG1-CG 4.32Å; V123-G149 CarbonylContact O-C 3.55Å; V123-G149 WeakPolarHBondContact O-CA 3.37Å; V123-Y150 HydrophobicContact CB-CD1 3.93Å; V123-Y150 HydrophobicContact CB-CD2 4.4Å; V123-Y150 HydrophobicContact CB-CE1 3.43Å; V123-Y150 VanDerWaalsContact CB-CE1 3.43Å; V123-Y150 HydrophobicContact CB-CE2 3.93Å; V123-Y150 HydrophobicContact CB-CG 4.39Å; V123-Y150 VanDerWaalsContact CB-CZ 3.42Å; V123-Y150 HydrophobicContact CG1-CD1 4.35Å; V123-Y150 HydrophobicContact CG1-CE1 3.5Å; V123-Y150 VanDerWaalsContact CG1-CE1 3.5Å; V123-Y150 HydrophobicContact CG2-CE1 4.18Å; V123-Y150 HydrophobicContact CG2-CE2 3.8Å; V123-Y150 PolarHBondContact N-O 2.93Å; V123-Y150 PolarHBondContact O-N 2.86Å; V123-L152 HydrophobicContact CG2-CB 4.41Å; V123-L152 HydrophobicContact CG2-CD1 4.11Å
124	H	94.3	Very high	92.7	Very high	5 Å²	5	23.1 Å²	23.1	2%	0.023	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	112.1	176.8	-62.7	-67.1	0	0	0	110.9	V40 K41 T43 H148	V40-H124 HydrophobicContact CB-CB 4.26Å; V40-H124 PolarHBondContact N-O 2.96Å; K41-H124 WeakPolarHBondContact O-CB 3.33Å; K41-H124 PolarHBondContact O-CD2 2.91Å; K41-H124 PolarHBondContact O-N 3.34Å; T43-H124 PolarHBondContact OG1-NE2 2.82Å; H124-H148 AromaticContact CE1-CD2 3.27Å; H124-H148 PolarHBondContact CE1-CD2 3.45Å; H124-H148 AromaticContact CE1-CE1 3.98Å; H124-H148 AromaticContact CE1-CG 3.58Å; H124-H148 AromaticContact CE1-NE2 3.59Å; H124-H148 PolarHBondContact CE1-O 2.92Å; H124-H148 AromaticContact CG-NE2 3.88Å; H124-H148 AromaticContact ND1-CD2 3.35Å; H124-H148 PolarHBondContact ND1-CD2 2.92Å; H124-H148 VanDerWaalsContact ND1-CD2 3.35Å; H124-H148 AromaticContact ND1-CE1 3.25Å; H124-H148 PolarHBondContact ND1-CE1 3.33Å; H124-H148 VanDerWaalsContact ND1-CE1 3.25Å; H124-H148 AromaticContact ND1-CG 3.53Å; H124-H148 AromaticContact ND1-ND1 3.49Å; H124-H148 PolarHBondContact ND1-ND1 2.96Å; H124-H148 AromaticContact ND1-NE2 3.2Å; H124-H148 PolarHBondContact ND1-NE2 3.2Å
125	L	95.4	Very high	92.3	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	158.1	169.9	-57.3	-176.6	0	0	0	110.1	V37 K38 A39 Y53 T84 Y86 V123 P131 C132 Y150 L166 F168 F185 I187	V37-L125 HydrophobicContact CG1-CB 4.33Å; V37-L125 HydrophobicContact CG1-CD1 4.14Å; K38-L125 CarbonylContact O-C 3.5Å; K38-L125 WeakPolarHBondContact O-CA 3.36Å; A39-L125 HydrophobicContact CB-CD2 3.65Å; Y53-L125 HydrophobicContact CE2-CD2 4.4Å; T84-L125 HydrophobicContact CG2-CD2 4.49Å; Y86-L125 HydrophobicContact CE2-CD1 4.43Å; V123-L125 HydrophobicContact CG1-CD2 4.08Å; V123-L125 HydrophobicContact CG1-CG 4.32Å; L125-P131 CarbonylContact O-C 3.52Å; L125-P131 WeakPolarHBondContact O-CA 3.47Å; L125-C132 HydrophobicContact CB-CB 4.28Å; L125-C132 PolarHBondContact N-SG 2.77Å; L125-C132 VanDerWaalsContact N-SG 3.36Å; L125-C132 PolarHBondContact O-N 3.26Å; L125-Y150 HydrophobicContact CD1-CD1 4.45Å; L125-Y150 HydrophobicContact CD1-CE1 3.78Å; L125-Y150 HydrophobicContact CG-CE1 3.95Å; L125-L166 HydrophobicContact CD1-CD1 4.41Å; L125-F168 HydrophobicContact CD1-CE1 4.23Å; L125-F168 HydrophobicContact CD1-CZ 4.37Å; L125-F185 HydrophobicContact CB-CE1 4.09Å; L125-F185 HydrophobicContact CB-CZ 3.92Å; L125-I187 HydrophobicContact CD1-CD1 3.86Å
126	S	92.7	Very high	91.7	Very high	6 Å²	6	22.9 Å²	22.9	4%	0.042	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	142.2	176.9	63.4	0	0	0	0	111.6	K38 L130 R353	K38-S126 PolarHBondContact N-O 3.36Å; K38-S126 PolarHBondContact O-N 2.9Å; K38-S126 PolarHBondContact O-OG 3.08Å; S126-L130 CarbonylContact C-O 3.57Å; S126-L130 WeakPolarHBondContact CA-O 3.38Å; S126-R353 PolarHBondContact OG-NH1 3.39Å
127	I	92.9	Very high	90.7	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	128.7	173.5	-68.1	170.4	0	0	0	106.6	I35 V37 I88 N129 L130 L170 F182 F185	I35-I127 HydrophobicContact CG2-CG2 3.32Å; V37-I127 HydrophobicContact CB-CG1 4.39Å; V37-I127 HydrophobicContact CG1-CG1 4.36Å; V37-I127 HydrophobicContact CG2-CD1 3.92Å; V37-I127 HydrophobicContact CG2-CG1 4.03Å; I88-I127 HydrophobicContact CD1-CD1 4.23Å; I127-N129 PolarHBondContact O-N 3.08Å; I127-N129 VanDerWaalsContact O-N 3.12Å; I127-L130 PolarHBondContact N-O 3.19Å; I127-L130 WeakPolarHBondContact O-CA 3.38Å; I127-L130 WeakPolarHBondContact O-CB 3.33Å; I127-L130 PolarHBondContact O-N 3.26Å; I127-L170 HydrophobicContact CD1-CD1 4.49Å; I127-L170 HydrophobicContact CD1-CD2 4.1Å; I127-F182 HydrophobicContact CB-CD1 4.45Å; I127-F182 HydrophobicContact CB-CE1 3.72Å; I127-F182 HydrophobicContact CB-CZ 3.79Å; I127-F182 HydrophobicContact CD1-CZ 4.1Å; I127-F182 HydrophobicContact CG2-CD1 3.89Å; I127-F182 HydrophobicContact CG2-CD2 4.24Å; I127-F182 HydrophobicContact CG2-CE1 3.57Å; I127-F182 HydrophobicContact CG2-CE2 3.97Å; I127-F182 HydrophobicContact CG2-CG 4.2Å; I127-F182 HydrophobicContact CG2-CZ 3.62Å; I127-F185 HydrophobicContact CB-CD1 4.09Å; I127-F185 HydrophobicContact CB-CE1 4.11Å; I127-F185 HydrophobicContact CD1-CD1 4.12Å; I127-F185 HydrophobicContact CD1-CD2 4.2Å; I127-F185 HydrophobicContact CD1-CE1 3.77Å; I127-F185 HydrophobicContact CD1-CE2 3.89Å; I127-F185 HydrophobicContact CD1-CG 4.32Å; I127-F185 HydrophobicContact CD1-CZ 3.64Å; I127-F185 HydrophobicContact CG1-CD1 4.09Å; I127-F185 HydrophobicContact CG1-CE1 3.65Å; I127-F185 HydrophobicContact CG1-CZ 3.96Å
128	D	89.2	Confident	89.1	Confident	27 Å²	27	30.6 Å²	30.6	14%	0.144	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	40.4	-179.3	-171.2	39.5	0	0	0	113.6	N27 L130 F182 R244	N27-D128 PolarHBondContact ND2-OD1 3.3Å; D128-L130 PolarHBondContact O-N 3.21Å; D128-F182 HydrophobicContact CB-CB 4.49Å; D128-F182 HydrophobicContact CB-CD1 4.1Å; D128-R244 PolarHBondContact O-NH2 3.07Å; D128-R244 IonicContact OD2-CZ 3.75Å; D128-R244 IonicContact OD2-NH1 2.87Å; D128-R244 PolarHBondContact OD2-NH1 3.19Å; D128-R244 IonicContact OD2-NH2 3.55Å
129	N	86.8	Confident	87.3	Confident	62 Å²	62	32.5 Å²	32.5	33%	0.332	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	8.6	-172.6	-61	-42.5	0	0	0	116.1	I127 W245 A351 R353	I127-N129 PolarHBondContact O-N 3.08Å; I127-N129 VanDerWaalsContact O-N 3.12Å; N129-W245 WeakPolarHBondContact O-CZ2 3.31Å; N129-A351 VanDerWaalsContact CB-O 3.3Å; N129-A351 WeakPolarHBondContact CB-O 3.47Å; N129-R353 PolarHBondContact OD1-NH2 2.86Å
130	L	89.7	Confident	85.5	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	126.1	168.1	-164.4	69.4	0	0	0	108.7	S126 I127 D128 F182 F185 R244 W245 Y248	S126-L130 CarbonylContact C-O 3.57Å; S126-L130 WeakPolarHBondContact CA-O 3.38Å; I127-L130 PolarHBondContact N-O 3.19Å; I127-L130 WeakPolarHBondContact O-CA 3.38Å; I127-L130 WeakPolarHBondContact O-CB 3.33Å; I127-L130 PolarHBondContact O-N 3.26Å; D128-L130 PolarHBondContact O-N 3.21Å; L130-F182 HydrophobicContact CB-CD1 4.33Å; L130-F182 HydrophobicContact CB-CE1 3.98Å; L130-F182 HydrophobicContact CD2-CD1 4.13Å; L130-F182 HydrophobicContact CD2-CE1 3.72Å; L130-F182 HydrophobicContact CG-CE1 4.46Å; L130-F185 HydrophobicContact CD2-CB 4.04Å; L130-F185 HydrophobicContact CG-CB 4.43Å; L130-F185 WeakPolarHBondContact O-CD1 3.23Å; L130-R244 HydrophobicContact CD1-CG 3.99Å; L130-W245 HydrophobicContact CD1-CD2 4.14Å; L130-W245 HydrophobicContact CD1-CG 4.28Å; L130-W245 HydrophobicContact CD1-CZ2 4.23Å; L130-Y248 HydrophobicContact CD1-CE2 4.05Å; L130-Y248 HydrophobicContact CG-CE2 4.42Å
131	P	91.1	Very high	83.9	Confident	11 Å²	11	38.8 Å²	38.8	7%	0.071	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	153.9	177.6	28	-32	0	0	0	111.6	L125 H148 W245 Y248 F508	L125-P131 CarbonylContact O-C 3.52Å; L125-P131 WeakPolarHBondContact O-CA 3.47Å; P131-H148 WeakPolarHBondContact CB-CE1 3.47Å; P131-W245 HydrophobicContact CG-CH2 3.62Å; P131-W245 HydrophobicContact CG-CZ2 4.38Å; P131-W245 HydrophobicContact CG-CZ3 3.8Å; P131-Y248 PolarHBondContact O-OH 3.11Å; P131-F508 HydrophobicContact CB-CZ 3.97Å; P131-F508 HydrophobicContact CG-CE1 3.98Å; P131-F508 HydrophobicContact CG-CE2 4.17Å; P131-F508 HydrophobicContact CG-CZ 3.38Å
132	C	92.5	Very high	82	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-72.4	144.5	171	66	0	0	0	0	111.6	L125 G149 F185 I187	L125-C132 HydrophobicContact CB-CB 4.28Å; L125-C132 PolarHBondContact N-SG 2.77Å; L125-C132 VanDerWaalsContact N-SG 3.36Å; L125-C132 PolarHBondContact O-N 3.26Å; C132-G149 PolarHBondContact O-N 3.38Å; C132-G149 VanDerWaalsContact SG-CA 3.51Å; C132-F185 HydrophobicContact CB-CD1 3.77Å; C132-F185 HydrophobicContact CB-CD2 4Å; C132-F185 HydrophobicContact CB-CE1 3.55Å; C132-F185 HydrophobicContact CB-CE2 3.75Å; C132-F185 HydrophobicContact CB-CG 4.01Å; C132-F185 HydrophobicContact CB-CZ 3.55Å; C132-I187 HydrophobicContact CB-CD1 3.51Å; C132-I187 HydrophobicContact CB-CG1 3.96Å
133	G	90.9	Very high	80.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	147.3	169.1	0	0	0	0	0	112.6	E147 F185 E186 I187	G133-E147 CarbonylContact C-O 3.5Å; G133-E147 VanDerWaalsContact CA-O 3.25Å; G133-E147 WeakPolarHBondContact CA-O 3.48Å; G133-F185 PolarHBondContact N-O 2.82Å; G133-E186 CarbonylContact O-C 3.49Å; G133-E186 VanDerWaalsContact O-CA 3.31Å; G133-E186 WeakPolarHBondContact O-CA 3.37Å; G133-I187 PolarHBondContact O-N 3.08Å
134	T	91.2	Very high	79.1	Confident	19 Å²	19	53.2 Å²	53.2	12%	0.117	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128.3	167.1	-55.3	0	0	0	0	109.1	V136 Y146 E147 G149 Y150 P189	T134-V136 PolarHBondContact O-N 3.43Å; T134-Y146 WeakPolarHBondContact O-CA 3.3Å; T134-E147 PolarHBondContact N-O 3.49Å; T134-E147 PolarHBondContact O-N 3.14Å; T134-G149 PolarHBondContact N-O 3.33Å; T134-G149 PolarHBondContact OG1-O 2.96Å; T134-Y150 VanDerWaalsContact OG1-CA 3.3Å; T134-Y150 WeakPolarHBondContact OG1-CA 3.12Å; T134-Y150 WeakPolarHBondContact OG1-CB 3.36Å; T134-P189 HydrophobicContact CG2-CG 4.39Å
135	K	87.6	Confident	78.2	Confident	100 Å²	100	57.6 Å²	57.6	44%	0.435	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	118.7	179	-170.3	179.3	-178.3	178.3	0	110.9	Y146 E186	K135-Y146 HydrophobicContact CB-CD1 4.38Å; K135-Y146 HydrophobicContact CB-CE1 4.02Å; K135-Y146 HydrophobicContact CG-CE1 4.4Å; K135-E186 WeakPolarHBondContact CB-OE1 3.12Å
136	V	80.3	Confident	77.6	Confident	55 Å²	55	59.5 Å²	59.5	33%	0.333	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	116.3	175.4	-177.1	0	0	0	0	108.8	T134 R145 E147	T134-V136 PolarHBondContact O-N 3.43Å; V136-R145 PolarHBondContact N-O 3.04Å; V136-R145 PolarHBondContact O-N 3.41Å; V136-E147 HydrophobicContact CG2-CB 4.42Å; V136-E147 HydrophobicContact CG2-CG 3.7Å
137	S	72.4	Confident	77.2	Confident	77 Å²	77	61.5 Å²	61.5	54%	0.538	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	112.9	176.4	-63.5	0	0	0	0	109.3
138	S	62.2	Low	77	Confident	93 Å²	93	63.4 Å²	63.4	65%	0.65	35%	0.349	S	S	*	.			trans	-93.1	-11.6	-173.7	-170.2	0	0	0	0	114.3	T143	S138-T143 PolarHBondContact N-O 3.03Å
139	D	54.8	Low	77.1	Confident	110 Å²	110	62.1 Å²	62.1	59%	0.588	34%	0.343	S	S	*	.	S	Bend	trans	-159.9	87.9	-171.2	-135.1	8.1	0	0	0	111.5	G141 K142	D139-G141 PolarHBondContact O-N 3.24Å; D139-K142 PolarHBondContact O-N 3.02Å
140	N	54.8	Low	77.5	Confident	173 Å²	173	59.4 Å²	59.4	93%	0.925	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.3	35.7	178.6	-72.9	-11	0	0	0	115	K142	N140-K142 PolarHBondContact O-N 3.27Å
141	G	57.5	Low	77.7	Confident	56 Å²	56	62.1 Å²	62.1	58%	0.577	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	-1.6	-179.7	0	0	0	0	0	117.2	D139	D139-G141 PolarHBondContact O-N 3.24Å
142	K	55.6	Low	77.9	Confident	188 Å²	188	61.6 Å²	61.6	82%	0.817	34%	0.335	S	S	*	.	S	Bend	trans	-73	-33.9	-177.6	-71.5	-175.4	-179.4	177.4	0	113.7	D139 N140	D139-K142 PolarHBondContact O-N 3.02Å; N140-K142 PolarHBondContact O-N 3.27Å
143	T	61.3	Low	78	Confident	84 Å²	84	62 Å²	62	52%	0.515	34%	0.339	S	S	.	.			trans	-129	124.1	175.2	58.9	0	0	0	0	109.7	S138	S138-T143 PolarHBondContact N-O 3.03Å
144	S	68.9	Low	78	Confident	50 Å²	50	64 Å²	64	35%	0.35	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	128.3	171.8	58.4	0	0	0	0	109.2
145	R	75.3	Confident	78	Confident	96 Å²	96	65.8 Å²	65.8	36%	0.362	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	139.6	172.2	-177.7	178.1	-179.4	-179.5	-1	108.7	V136 T251	V136-R145 PolarHBondContact N-O 3.04Å; V136-R145 PolarHBondContact O-N 3.41Å; R145-T251 HydrophobicContact CG-CG2 4.4Å
146	Y	82.6	Confident	78.2	Confident	42 Å²	42	62.9 Å²	62.9	17%	0.165	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	123	170	-71.5	-89.5	0	0	0	109.7	T134 K135 E186 I247	T134-Y146 WeakPolarHBondContact O-CA 3.3Å; K135-Y146 HydrophobicContact CB-CD1 4.38Å; K135-Y146 HydrophobicContact CB-CE1 4.02Å; K135-Y146 HydrophobicContact CG-CE1 4.4Å; Y146-E186 HydrophobicContact CE1-CG 4.41Å; Y146-I247 HydrophobicContact CD2-CG2 3.79Å; Y146-I247 HydrophobicContact CE1-CG2 4.42Å; Y146-I247 HydrophobicContact CE2-CG2 3.31Å
147	E	84.5	Confident	78.5	Confident	48 Å²	48	68 Å²	68	22%	0.224	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	139.9	165	-70.9	-167.2	166	0	0	109.5	G133 T134 V136 G149 R151	G133-E147 CarbonylContact C-O 3.5Å; G133-E147 VanDerWaalsContact CA-O 3.25Å; G133-E147 WeakPolarHBondContact CA-O 3.48Å; T134-E147 PolarHBondContact N-O 3.49Å; T134-E147 PolarHBondContact O-N 3.14Å; V136-E147 HydrophobicContact CG2-CB 4.42Å; V136-E147 HydrophobicContact CG2-CG 3.7Å; E147-G149 PolarHBondContact O-N 3.04Å; E147-R151 IonicContact OE1-NH2 3.53Å; E147-R151 PolarHBondContact OE1-NH2 2.86Å; E147-R151 IonicContact OE2-CZ 3.56Å; E147-R151 IonicContact OE2-NE 3.35Å; E147-R151 PolarHBondContact OE2-NE 3.27Å; E147-R151 IonicContact OE2-NH2 3.16Å; E147-R151 PolarHBondContact OE2-NH2 2.83Å
148	H	87	Confident	79.3	Confident	40 Å²	40	66.6 Å²	66.6	19%	0.185	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	127.6	174.7	-177	30.8	0	0	0	110.1	H124 P131 F508	H124-H148 AromaticContact CE1-CD2 3.27Å; H124-H148 PolarHBondContact CE1-CD2 3.45Å; H124-H148 AromaticContact CE1-CE1 3.98Å; H124-H148 AromaticContact CE1-CG 3.58Å; H124-H148 AromaticContact CE1-NE2 3.59Å; H124-H148 PolarHBondContact CE1-O 2.92Å; H124-H148 AromaticContact CG-NE2 3.88Å; H124-H148 AromaticContact ND1-CD2 3.35Å; H124-H148 PolarHBondContact ND1-CD2 2.92Å; H124-H148 VanDerWaalsContact ND1-CD2 3.35Å; H124-H148 AromaticContact ND1-CE1 3.25Å; H124-H148 PolarHBondContact ND1-CE1 3.33Å; H124-H148 VanDerWaalsContact ND1-CE1 3.25Å; H124-H148 AromaticContact ND1-CG 3.53Å; H124-H148 AromaticContact ND1-ND1 3.49Å; H124-H148 PolarHBondContact ND1-ND1 2.96Å; H124-H148 AromaticContact ND1-NE2 3.2Å; H124-H148 PolarHBondContact ND1-NE2 3.2Å; P131-H148 WeakPolarHBondContact CB-CE1 3.47Å; H148-F508 HydrophobicContact CB-CE2 3.9Å; H148-F508 HydrophobicContact CB-CZ 4.11Å; H148-F508 AromaticContact CD2-CZ 3.83Å; H148-F508 AromaticContact CE1-CZ 3.61Å; H148-F508 AromaticContact CG-CE2 3.83Å; H148-F508 AromaticContact CG-CZ 3.5Å; H148-F508 AromaticContact ND1-CE2 3.87Å; H148-F508 AromaticContact ND1-CZ 3.34Å; H148-F508 VanDerWaalsContact ND1-CZ 3.34Å; H148-F508 WeakPolarHBondContact ND1-CZ 3.22Å; H148-F508 AromaticContact NE2-CZ 3.88Å
149	G	92.2	Very high	80.7	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.01	36%	0.355	C	S	.	.	S	Bend	trans	84	-176.6	-175.5	0	0	0	0	0	112.7	V123 C132 T134 E147	V123-G149 CarbonylContact O-C 3.55Å; V123-G149 WeakPolarHBondContact O-CA 3.37Å; C132-G149 PolarHBondContact O-N 3.38Å; C132-G149 VanDerWaalsContact SG-CA 3.51Å; T134-G149 PolarHBondContact N-O 3.33Å; T134-G149 PolarHBondContact OG1-O 2.96Å; E147-G149 PolarHBondContact O-N 3.04Å
150	Y	94.5	Very high	82.6	Confident	5 Å²	5	58.4 Å²	58.4	2%	0.02	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	147.6	166.8	72	-91.6	0	0	0	110.3	S122 V123 L125 T134 L152 L166 I187 P189	S122-Y150 CarbonylContact C-O 3.53Å; S122-Y150 WeakPolarHBondContact CA-O 3.38Å; V123-Y150 HydrophobicContact CB-CD1 3.93Å; V123-Y150 HydrophobicContact CB-CD2 4.4Å; V123-Y150 HydrophobicContact CB-CE1 3.43Å; V123-Y150 VanDerWaalsContact CB-CE1 3.43Å; V123-Y150 HydrophobicContact CB-CE2 3.93Å; V123-Y150 HydrophobicContact CB-CG 4.39Å; V123-Y150 VanDerWaalsContact CB-CZ 3.42Å; V123-Y150 HydrophobicContact CG1-CD1 4.35Å; V123-Y150 HydrophobicContact CG1-CE1 3.5Å; V123-Y150 VanDerWaalsContact CG1-CE1 3.5Å; V123-Y150 HydrophobicContact CG2-CE1 4.18Å; V123-Y150 HydrophobicContact CG2-CE2 3.8Å; V123-Y150 PolarHBondContact N-O 2.93Å; V123-Y150 PolarHBondContact O-N 2.86Å; L125-Y150 HydrophobicContact CD1-CD1 4.45Å; L125-Y150 HydrophobicContact CD1-CE1 3.78Å; L125-Y150 HydrophobicContact CG-CE1 3.95Å; T134-Y150 VanDerWaalsContact OG1-CA 3.3Å; T134-Y150 WeakPolarHBondContact OG1-CA 3.12Å; T134-Y150 WeakPolarHBondContact OG1-CB 3.36Å; Y150-L152 PolarHBondContact O-N 3.37Å; Y150-L166 HydrophobicContact CD1-CD2 4.48Å; Y150-L166 HydrophobicContact CD2-CD2 3.77Å; Y150-L166 HydrophobicContact CE1-CD1 3.84Å; Y150-L166 HydrophobicContact CE1-CD2 4.26Å; Y150-L166 HydrophobicContact CE2-CD1 4.3Å; Y150-L166 HydrophobicContact CE2-CD2 3.55Å; Y150-L166 HydrophobicContact CG-CD2 4.25Å; Y150-I187 HydrophobicContact CD1-CD1 3.88Å; Y150-I187 HydrophobicContact CD1-CG2 4.33Å; Y150-I187 HydrophobicContact CE1-CD1 4.41Å; Y150-I187 HydrophobicContact CG-CG2 4.25Å; Y150-P189 HydrophobicContact CD2-CB 4.1Å
151	R	94.7	Very high	84.4	Confident	57 Å²	57	51.5 Å²	51.5	22%	0.215	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	130.4	178.6	-61.6	-70.4	176.5	163	7.2	109.6	E147 G153 N163	E147-R151 IonicContact OE1-NH2 3.53Å; E147-R151 PolarHBondContact OE1-NH2 2.86Å; E147-R151 IonicContact OE2-CZ 3.56Å; E147-R151 IonicContact OE2-NE 3.35Å; E147-R151 PolarHBondContact OE2-NE 3.27Å; E147-R151 IonicContact OE2-NH2 3.16Å; E147-R151 PolarHBondContact OE2-NH2 2.83Å; R151-G153 PolarHBondContact O-N 2.89Å; R151-N163 PolarHBondContact O-ND2 3.31Å
152	L	94.8	Very high	86.2	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-56.8	-32.8	176	178.1	61.1	0	0	0	112.2	L56 F58 L113 F116 I117 Y121 V123 Y150 N163	L56-L152 HydrophobicContact CD1-CD1 4.02Å; L56-L152 HydrophobicContact CD1-CD2 3.47Å; L56-L152 VanDerWaalsContact CD1-CD2 3.47Å; L56-L152 HydrophobicContact CD1-CG 4.4Å; F58-L152 HydrophobicContact CE1-CD1 3.74Å; F58-L152 HydrophobicContact CZ-CD1 3.46Å; F58-L152 VanDerWaalsContact CZ-CD1 3.46Å; L113-L152 HydrophobicContact CD1-CD1 4.33Å; L113-L152 HydrophobicContact CD1-CD2 4.1Å; L113-L152 HydrophobicContact CD1-CG 4.44Å; F116-L152 HydrophobicContact CB-CD2 3.61Å; I117-L152 HydrophobicContact CG1-CD2 3.96Å; I117-L152 HydrophobicContact CG1-CG 3.93Å; Y121-L152 WeakPolarHBondContact O-CB 3.34Å; Y121-L152 PolarHBondContact O-N 2.84Å; V123-L152 HydrophobicContact CG2-CB 4.41Å; V123-L152 HydrophobicContact CG2-CD1 4.11Å; Y150-L152 PolarHBondContact O-N 3.37Å; L152-N163 PolarHBondContact O-N 2.92Å
153	G	94.1	Very high	88.1	Confident	8 Å²	8	40.4 Å²	40.4	8%	0.082	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	173.9	-179.3	0	0	0	0	0	111.6	R151 Y161	R151-G153 PolarHBondContact O-N 2.89Å; G153-Y161 CarbonylContact C-O 3.48Å; G153-Y161 WeakPolarHBondContact CA-O 3.49Å
154	S	92.4	Very high	89.6	Confident	42 Å²	42	36.7 Å²	36.7	29%	0.294	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	145.2	179.3	-62.6	0	0	0	0	109.9	Y161	S154-Y161 PolarHBondContact N-O 3.08Å; S154-Y161 PolarHBondContact O-N 2.85Å
155	V	91.7	Very high	90.8	Very high	57 Å²	57	34.3 Å²	34.3	35%	0.345	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	115.8	175.4	-176.2	0	0	0	0	108.3	I117 L118 V159	I117-V155 HydrophobicContact CG2-CG2 4.04Å; L118-V155 HydrophobicContact CD2-CG1 4.03Å; L118-V155 HydrophobicContact CD2-CG2 4.11Å; V155-V159 WeakPolarHBondContact CA-O 3.41Å
156	V	90	Very high	91.7	Very high	39 Å²	39	29.9 Å²	29.9	24%	0.236	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.2	176.6	-174.1	0	0	0	0	107.8	G158 V159 Y161 I213 W216	V156-G158 PolarHBondContact O-N 2.73Å; V156-G158 VanDerWaalsContact O-N 3.13Å; V156-V159 PolarHBondContact N-O 3.23Å; V156-V159 WeakPolarHBondContact O-CA 3.5Å; V156-V159 WeakPolarHBondContact O-CB 3.27Å; V156-V159 PolarHBondContact O-N 3.47Å; V156-Y161 HydrophobicContact CB-CD2 4.49Å; V156-Y161 HydrophobicContact CB-CE2 4.04Å; V156-Y161 HydrophobicContact CG2-CD2 4.44Å; V156-Y161 HydrophobicContact CG2-CE2 4.4Å; V156-I213 HydrophobicContact CG1-CD1 4.1Å; V156-W216 HydrophobicContact CG2-CZ3 3.8Å
157	D	88.4	Confident	92.3	Very high	161 Å²	161	30.1 Å²	30.1	86%	0.861	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	37.9	-178.8	-56.8	-36.6	0	0	0	114.3	V159	D157-V159 PolarHBondContact O-N 2.99Å
158	G	87.6	Confident	92.9	Very high	48 Å²	48	27.9 Å²	27.9	50%	0.495	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	2.6	-178.2	0	0	0	0	0	115	V156	V156-G158 PolarHBondContact O-N 2.73Å; V156-G158 VanDerWaalsContact O-N 3.13Å
159	V	92.1	Very high	93.3	Very high	31 Å²	31	26.6 Å²	26.6	19%	0.188	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	131.4	175.8	178.9	0	0	0	0	110.1	V155 V156 D157 Y161 K218	V155-V159 WeakPolarHBondContact CA-O 3.41Å; V156-V159 PolarHBondContact N-O 3.23Å; V156-V159 WeakPolarHBondContact O-CA 3.5Å; V156-V159 WeakPolarHBondContact O-CB 3.27Å; V156-V159 PolarHBondContact O-N 3.47Å; D157-V159 PolarHBondContact O-N 2.99Å; V159-Y161 HydrophobicContact CB-CE2 3.8Å; V159-Y161 HydrophobicContact CG1-CD2 4.22Å; V159-Y161 HydrophobicContact CG1-CE1 4.19Å; V159-Y161 HydrophobicContact CG1-CE2 3.54Å; V159-Y161 WeakPolarHBondContact O-CD2 3.37Å; V159-K218 HydrophobicContact CG1-CD 3.74Å; V159-K218 HydrophobicContact CG1-CG 3.54Å
160	A	93.9	Very high	93.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	127.4	177.9	0	0	0	0	0	111.3	R114 I117 L118 I219	R114-A160 HydrophobicContact CG-CB 4.05Å; I117-A160 HydrophobicContact CB-CB 4.03Å; I117-A160 HydrophobicContact CD1-CB 4.47Å; I117-A160 HydrophobicContact CG2-CB 3.67Å; L118-A160 HydrophobicContact CD2-CB 4.43Å; L118-A160 HydrophobicContact CG-CB 4.5Å; A160-I219 PolarHBondContact O-N 2.87Å
161	Y	94.4	Very high	93.5	Very high	29 Å²	29	28.1 Å²	28.1	11%	0.114	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.1	173.4	-60.8	-87.2	0	0	0	109.5	G153 S154 V156 V159 I213 W216 K217 K218	G153-Y161 CarbonylContact C-O 3.48Å; G153-Y161 WeakPolarHBondContact CA-O 3.49Å; S154-Y161 PolarHBondContact N-O 3.08Å; S154-Y161 PolarHBondContact O-N 2.85Å; V156-Y161 HydrophobicContact CB-CD2 4.49Å; V156-Y161 HydrophobicContact CB-CE2 4.04Å; V156-Y161 HydrophobicContact CG2-CD2 4.44Å; V156-Y161 HydrophobicContact CG2-CE2 4.4Å; V159-Y161 HydrophobicContact CB-CE2 3.8Å; V159-Y161 HydrophobicContact CG1-CD2 4.22Å; V159-Y161 HydrophobicContact CG1-CE1 4.19Å; V159-Y161 HydrophobicContact CG1-CE2 3.54Å; V159-Y161 WeakPolarHBondContact O-CD2 3.37Å; Y161-I213 HydrophobicContact CE1-CG2 4.32Å; Y161-I213 HydrophobicContact CE2-CG2 4.19Å; Y161-W216 HydrophobicContact CD1-CB 3.43Å; Y161-W216 VanDerWaalsContact CD1-CB 3.43Å; Y161-W216 HydrophobicContact CD1-CE3 4.31Å; Y161-W216 HydrophobicContact CD2-CE3 4.03Å; Y161-W216 HydrophobicContact CE1-CB 3.93Å; Y161-W216 HydrophobicContact CG-CB 4.07Å; Y161-W216 AromaticContact CG-CE3 3.88Å; Y161-W216 HydrophobicContact CG-CE3 3.88Å; Y161-K217 WeakPolarHBondContact CA-O 3.3Å; Y161-K218 HydrophobicContact CD1-CB 4.15Å; Y161-K218 HydrophobicContact CE1-CB 3.95Å; Y161-K218 HydrophobicContact CE1-CG 4.35Å
162	I	94.7	Very high	93.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	140.5	179.1	-173.3	174.5	0	0	0	110.8	L113 I117 N164 S191 K217 I219 I226 F228	L113-I162 HydrophobicContact CD1-CD1 4.18Å; L113-I162 HydrophobicContact CD2-CD1 3.74Å; L113-I162 HydrophobicContact CG-CD1 4.4Å; I117-I162 HydrophobicContact CD1-CB 3.98Å; I117-I162 HydrophobicContact CD1-CG1 4.45Å; I162-N164 HydrophobicContact CG2-CB 4.34Å; I162-N164 PolarHBondContact O-N 3.19Å; I162-S191 WeakPolarHBondContact O-CA 3.48Å; I162-S191 WeakPolarHBondContact O-CB 3.27Å; I162-S191 PolarHBondContact O-OG 3.08Å; I162-K217 HydrophobicContact CG2-CB 3.86Å; I162-K217 HydrophobicContact CG2-CG 3.77Å; I162-K217 PolarHBondContact N-O 3.38Å; I162-K217 VanDerWaalsContact N-O 3.08Å; I162-I219 HydrophobicContact CB-CD1 4.34Å; I162-I219 HydrophobicContact CB-CG1 3.93Å; I162-I219 HydrophobicContact CG2-CD1 3.93Å; I162-I219 HydrophobicContact CG2-CG1 3.98Å; I162-I226 HydrophobicContact CD1-CD1 3.88Å; I162-I226 HydrophobicContact CG2-CD1 4.23Å; I162-F228 HydrophobicContact CD1-CE1 4.25Å; I162-F228 HydrophobicContact CD1-CZ 4.2Å
163	N	94.8	Very high	93.4	Very high	11 Å²	11	29.1 Å²	29.1	6%	0.059	17%	0.167	C	C	.	.			trans	-86.4	96.9	166.1	-67.2	-25.7	0	0	0	109.1	R151 L152 P189 M190	R151-N163 PolarHBondContact O-ND2 3.31Å; L152-N163 PolarHBondContact O-N 2.92Å; N163-P189 HydrophobicContact CB-CB 3.87Å; N163-M190 CarbonylContact C-O 3.53Å; N163-M190 VanDerWaalsContact CA-O 3.32Å; N163-M190 WeakPolarHBondContact CA-O 3.43Å
164	N	93.3	Very high	93.3	Very high	5 Å²	5	33.7 Å²	33.7	3%	0.027	19%	0.186	C	C	.	.			trans	-103.6	-8.9	-177.7	62.6	-39.1	0	0	0	113.5	I162 M190 I192 I226 H227 F228 T229	I162-N164 HydrophobicContact CG2-CB 4.34Å; I162-N164 PolarHBondContact O-N 3.19Å; N164-M190 PolarHBondContact N-O 3.27Å; N164-M190 VanDerWaalsContact N-O 3.16Å; N164-I192 PolarHBondContact ND2-O 2.78Å; N164-I192 PolarHBondContact OD1-N 2.93Å; N164-I192 PolarHBondContact OD1-O 3.5Å; N164-I226 HydrophobicContact CB-CG2 3.96Å; N164-H227 WeakPolarHBondContact CB-O 3.43Å; N164-H227 PolarHBondContact ND2-O 3.26Å; N164-F228 HydrophobicContact CB-CD1 4.1Å; N164-F228 HydrophobicContact CB-CE1 4.23Å; N164-F228 WeakPolarHBondContact O-CA 3.47Å; N164-T229 PolarHBondContact O-N 2.98Å
165	H	93.1	Very high	93.1	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	127.1	172	179.3	79.8	0	0	0	110	M190 I192 T229	H165-M190 HydrophobicContact CB-CB 4.21Å; H165-M190 PolarHBondContact N-O 2.92Å; H165-M190 PolarHBondContact O-N 2.63Å; H165-I192 HydrophobicContact CB-CD1 3.45Å; H165-I192 VanDerWaalsContact CB-CD1 3.45Å; H165-I192 HydrophobicContact CB-CG1 3.8Å; H165-T229 WeakPolarHBondContact CA-O 3.42Å; H165-T229 PolarHBondContact ND1-OG1 2.92Å
166	L	95.3	Very high	92.8	Very high	3 Å²	3	38 Å²	38	2%	0.016	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	115.4	177.2	-56.8	-176.1	0	0	0	110.2	Y86 L125 Y150 F168 I187 P189 T229 S230 E231	Y86-L166 HydrophobicContact CE1-CD1 4.29Å; Y86-L166 HydrophobicContact CE2-CD1 4.44Å; Y86-L166 VanDerWaalsContact OH-CD1 3.26Å; Y86-L166 WeakPolarHBondContact OH-CD1 3.35Å; L125-L166 HydrophobicContact CD1-CD1 4.41Å; Y150-L166 HydrophobicContact CD1-CD2 4.48Å; Y150-L166 HydrophobicContact CD2-CD2 3.77Å; Y150-L166 HydrophobicContact CE1-CD1 3.84Å; Y150-L166 HydrophobicContact CE1-CD2 4.26Å; Y150-L166 HydrophobicContact CE2-CD1 4.3Å; Y150-L166 HydrophobicContact CE2-CD2 3.55Å; Y150-L166 HydrophobicContact CG-CD2 4.25Å; L166-F168 HydrophobicContact CB-CD2 4.31Å; L166-F168 HydrophobicContact CB-CE2 3.71Å; L166-F168 HydrophobicContact CB-CZ 4.15Å; L166-F168 HydrophobicContact CD1-CE2 4.41Å; L166-F168 HydrophobicContact CD1-CZ 4.09Å; L166-F168 WeakPolarHBondContact O-CD2 3.26Å; L166-I187 HydrophobicContact CB-CG2 4.28Å; L166-I187 HydrophobicContact CD2-CG2 4.06Å; L166-P189 HydrophobicContact CD2-CB 4.17Å; L166-T229 PolarHBondContact N-O 3.45Å; L166-S230 VanDerWaalsContact O-CA 3.25Å; L166-S230 WeakPolarHBondContact O-CA 3.49Å; L166-E231 PolarHBondContact O-N 2.86Å
167	K	95	Very high	92.5	Very high	47 Å²	47	42.4 Å²	42.4	20%	0.204	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	111.6	169.3	176.9	178.3	166.3	-148.9	0	109.2	I169 I187 E188 M190 E231	K167-I169 HydrophobicContact CG-CG1 4.4Å; K167-I187 WeakPolarHBondContact O-CA 3.13Å; K167-E188 HydrophobicContact CB-CB 4.21Å; K167-E188 WeakPolarHBondContact CD-OE2 3.24Å; K167-E188 WeakPolarHBondContact CE-OE2 3.48Å; K167-E188 PolarHBondContact N-O 2.86Å; K167-E188 VanDerWaalsContact N-O 3.09Å; K167-E188 IonicContact NZ-OE2 2.67Å; K167-E188 PolarHBondContact NZ-OE2 2.87Å; K167-E188 PolarHBondContact O-N 3.1Å; K167-M190 HydrophobicContact CB-CE 4.29Å; K167-M190 HydrophobicContact CD-CE 4.08Å; K167-E231 CarbonylContact C-O 3.59Å; K167-E231 WeakPolarHBondContact CA-O 3.28Å; K167-E231 HydrophobicContact CB-CB 4.39Å; K167-E231 HydrophobicContact CG-CB 4.34Å; K167-E231 HydrophobicContact CG-CG 4.48Å
168	F	96.2	Very high	92.5	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	115.2	177.7	-65.8	-96.8	0	0	0	108.9	V37 Y86 I88 L125 L166 L170 F185 I187 E231 V232 V233	V37-F168 HydrophobicContact CG1-CE1 4.49Å; Y86-F168 AromaticContact CD1-CE2 3.82Å; Y86-F168 HydrophobicContact CD1-CE2 3.82Å; Y86-F168 AromaticContact CD1-CZ 3.83Å; Y86-F168 HydrophobicContact CD1-CZ 3.83Å; Y86-F168 HydrophobicContact CD2-CZ 4.19Å; Y86-F168 AromaticContact CE1-CE2 3.96Å; Y86-F168 HydrophobicContact CE1-CE2 3.96Å; Y86-F168 AromaticContact CE1-CZ 3.97Å; Y86-F168 HydrophobicContact CE1-CZ 3.97Å; Y86-F168 HydrophobicContact CE2-CZ 4.37Å; Y86-F168 HydrophobicContact CG-CE2 4.37Å; Y86-F168 AromaticContact CG-CZ 3.96Å; Y86-F168 HydrophobicContact CG-CZ 3.96Å; I88-F168 HydrophobicContact CD1-CD1 3.94Å; I88-F168 HydrophobicContact CD1-CE1 4.31Å; I88-F168 HydrophobicContact CD1-CG 4.15Å; L125-F168 HydrophobicContact CD1-CE1 4.23Å; L125-F168 HydrophobicContact CD1-CZ 4.37Å; L166-F168 HydrophobicContact CB-CD2 4.31Å; L166-F168 HydrophobicContact CB-CE2 3.71Å; L166-F168 HydrophobicContact CB-CZ 4.15Å; L166-F168 HydrophobicContact CD1-CE2 4.41Å; L166-F168 HydrophobicContact CD1-CZ 4.09Å; L166-F168 WeakPolarHBondContact O-CD2 3.26Å; F168-L170 HydrophobicContact CB-CD2 4.27Å; F168-L170 HydrophobicContact CB-CG 4.17Å; F168-F185 AromaticContact CD1-CE2 3.7Å; F168-F185 HydrophobicContact CD1-CE2 3.7Å; F168-F185 HydrophobicContact CD1-CZ 4.3Å; F168-F185 HydrophobicContact CE1-CE2 4.01Å; F168-F185 HydrophobicContact CE1-CZ 4.18Å; F168-I187 HydrophobicContact CD1-CD1 4.33Å; F168-I187 HydrophobicContact CD1-CG1 4.2Å; F168-I187 HydrophobicContact CE1-CD1 3.98Å; F168-I187 HydrophobicContact CE1-CG1 4.34Å; F168-E231 WeakPolarHBondContact CD2-O 3.32Å; F168-E231 PolarHBondContact N-O 3.03Å; F168-V232 HydrophobicContact CB-CB 4.48Å; F168-V232 HydrophobicContact CB-CG1 4.38Å; F168-V232 HydrophobicContact CB-CG2 4.15Å; F168-V232 HydrophobicContact CD2-CG2 4.29Å; F168-V232 HydrophobicContact CG-CG2 4.45Å; F168-V233 PolarHBondContact O-N 2.96Å
169	I	95.8	Very high	92.6	Very high	13 Å²	13	36.9 Å²	36.9	7%	0.067	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	104.2	171.7	-58	172.9	0	0	0	106.5	K167 E186 E188 E235	K167-I169 HydrophobicContact CG-CG1 4.4Å; I169-E186 HydrophobicContact CB-CB 4.07Å; I169-E186 HydrophobicContact CB-CG 4.31Å; I169-E186 HydrophobicContact CD1-CG 4.46Å; I169-E186 PolarHBondContact N-O 3.13Å; I169-E186 PolarHBondContact O-N 2.72Å; I169-E188 HydrophobicContact CD1-CG 3.86Å; I169-E235 HydrophobicContact CG2-CG 4.48Å
170	L	96.2	Very high	92.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	138.3	-171.8	-58.4	-174.6	0	0	0	110	I88 I127 F168 F182 F185 V232 V233 W234 E235	I88-L170 HydrophobicContact CD1-CD1 3.93Å; I88-L170 HydrophobicContact CG2-CD1 3.61Å; I127-L170 HydrophobicContact CD1-CD1 4.49Å; I127-L170 HydrophobicContact CD1-CD2 4.1Å; F168-L170 HydrophobicContact CB-CD2 4.27Å; F168-L170 HydrophobicContact CB-CG 4.17Å; L170-F182 HydrophobicContact CB-CE2 4.15Å; L170-F182 HydrophobicContact CD1-CE2 4.4Å; L170-F182 HydrophobicContact CD2-CE2 4Å; L170-F182 HydrophobicContact CD2-CZ 4.07Å; L170-F182 HydrophobicContact CG-CE2 4.42Å; L170-F185 HydrophobicContact CD2-CD2 3.54Å; L170-F185 HydrophobicContact CD2-CE2 4.03Å; L170-F185 HydrophobicContact CD2-CG 4.32Å; L170-V232 HydrophobicContact CD1-CG1 3.84Å; L170-V232 HydrophobicContact CG-CG1 4.35Å; L170-V233 PolarHBondContact N-O 2.85Å; L170-W234 HydrophobicContact CB-CD2 3.73Å; L170-W234 HydrophobicContact CB-CE3 3.37Å; L170-W234 HydrophobicContact CB-CH2 3.82Å; L170-W234 HydrophobicContact CB-CZ2 4.11Å; L170-W234 HydrophobicContact CB-CZ3 3.45Å; L170-W234 VanDerWaalsContact CB-CZ3 3.45Å; L170-W234 HydrophobicContact CD1-CD2 4.36Å; L170-W234 HydrophobicContact CD1-CH2 3.73Å; L170-W234 HydrophobicContact CD1-CZ2 3.48Å; L170-W234 VanDerWaalsContact CD1-CZ2 3.48Å; L170-W234 HydrophobicContact CD1-CZ3 4.25Å; L170-W234 HydrophobicContact CG-CH2 4.43Å; L170-W234 HydrophobicContact CG-CZ2 4.47Å; L170-W234 CarbonylContact O-C 3.53Å; L170-W234 VanDerWaalsContact O-CA 3.28Å; L170-W234 WeakPolarHBondContact O-CA 3.14Å; L170-E235 PolarHBondContact O-N 3.18Å
171	Q	95.1	Very high	92.5	Very high	37 Å²	37	40 Å²	40	17%	0.173	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	137.8	-179.6	-54.7	-171.9	-27.6	0	0	111.5	V183 G184 E235	Q171-V183 HydrophobicContact CB-CG2 4.05Å; Q171-V183 WeakPolarHBondContact O-CG2 3.36Å; Q171-V183 PolarHBondContact O-N 3.41Å; Q171-G184 PolarHBondContact N-O 3.06Å; Q171-G184 PolarHBondContact O-N 2.87Å; Q171-E235 VanDerWaalsContact CA-O 3.26Å; Q171-E235 WeakPolarHBondContact CA-O 3.43Å; Q171-E235 HydrophobicContact CG-CB 4.29Å; Q171-E235 PolarHBondContact NE2-OE2 2.94Å
172	Y	94.4	Very high	92.4	Very high	39 Å²	39	38.7 Å²	38.7	15%	0.153	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	149.1	174.5	67.9	-103.4	0	0	0	111.6	M90 A91 Q174 Y180 R181 W234 E235 P236 S237	M90-Y172 VanDerWaalsContact CE-CB 3.42Å; M90-Y172 HydrophobicContact CE-CG 4.29Å; A91-Y172 HydrophobicContact CB-CD1 4.23Å; A91-Y172 HydrophobicContact CB-CE1 3.94Å; Y172-Q174 HydrophobicContact CE2-CB 4.49Å; Y172-Y180 AromaticContact CD2-CD1 3.42Å; Y172-Y180 HydrophobicContact CD2-CD1 3.42Å; Y172-Y180 VanDerWaalsContact CD2-CD1 3.42Å; Y172-Y180 AromaticContact CD2-CE1 3.88Å; Y172-Y180 HydrophobicContact CD2-CE1 3.88Å; Y172-Y180 AromaticContact CE2-CD1 3.64Å; Y172-Y180 HydrophobicContact CE2-CD1 3.64Å; Y172-Y180 AromaticContact CE2-CE1 3.56Å; Y172-Y180 HydrophobicContact CE2-CE1 3.56Å; Y172-Y180 AromaticContact CG-CD1 3.95Å; Y172-Y180 HydrophobicContact CG-CD1 3.95Å; Y172-R181 CarbonylContact C-O 3.57Å; Y172-R181 VanDerWaalsContact CA-O 3.3Å; Y172-R181 WeakPolarHBondContact CA-O 3.33Å; Y172-W234 HydrophobicContact CD1-CB 4.25Å; Y172-W234 HydrophobicContact CD1-CD2 4.33Å; Y172-W234 AromaticContact CD1-CE3 3.72Å; Y172-W234 HydrophobicContact CD1-CE3 3.72Å; Y172-W234 HydrophobicContact CD1-CZ3 4.42Å; Y172-W234 HydrophobicContact CE1-CB 4.11Å; Y172-E235 PolarHBondContact N-O 3.38Å; Y172-E235 VanDerWaalsContact N-O 3.1Å; Y172-P236 HydrophobicContact CE2-CB 4.07Å; Y172-S237 PolarHBondContact O-N 3.32Å
173	H	93.6	Very high	92.3	Very high	39 Å²	39	38.7 Å²	38.7	18%	0.181	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	123.9	168	-176.1	71	0	0	0	108.7	R181 V183 S237 I239	H173-R181 PolarHBondContact N-O 2.77Å; H173-R181 PolarHBondContact O-N 2.98Å; H173-V183 HydrophobicContact CB-CG1 3.75Å; H173-V183 HydrophobicContact CB-CG2 4.2Å; H173-S237 PolarHBondContact ND1-O 3.08Å; H173-I239 WeakPolarHBondContact CB-O 3.33Å
174	Q	91.3	Very high	92.2	Very high	104 Å²	104	38.3 Å²	38.3	49%	0.486	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	124.6	176.6	-171.4	172.5	-7.8	0	0	109.1	Y172 Y180	Y172-Q174 HydrophobicContact CE2-CB 4.49Å; Q174-Y180 HydrophobicContact CB-CD1 4.47Å; Q174-Y180 HydrophobicContact CB-CE1 4.46Å; Q174-Y180 HydrophobicContact CG-CE1 4.27Å
175	T	88	Confident	92.2	Very high	13 Å²	13	38.3 Å²	38.3	8%	0.08	19%	0.194	C	C	.	.			trans	-80.7	159	175.2	58.3	0	0	0	0	111	D177 G178 H179 R181	T175-D177 PolarHBondContact O-N 3.37Å; T175-G178 PolarHBondContact O-N 3.19Å; T175-H179 PolarHBondContact N-O 3.48Å; T175-H179 WeakPolarHBondContact OG1-CA 3.31Å; T175-H179 WeakPolarHBondContact OG1-CB 3.34Å; T175-H179 PolarHBondContact OG1-N 3.05Å; T175-H179 VanDerWaalsContact OG1-N 3.1Å; T175-H179 PolarHBondContact OG1-O 3.13Å; T175-R181 HydrophobicContact CG2-CG 4.12Å; T175-R181 VanDerWaalsContact CG2-CZ 3.47Å
176	D	85.2	Confident	92.3	Very high	176 Å²	176	39.1 Å²	39.1	94%	0.941	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-29.4	176.7	-60.7	-37.5	0	0	0	112.1	G178	D176-G178 PolarHBondContact O-N 3.02Å
177	D	85.1	Confident	92.3	Very high	132 Å²	132	39 Å²	39	71%	0.706	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-1.4	177.5	-58.2	-42.9	0	0	0	113.5	T175	T175-D177 PolarHBondContact O-N 3.37Å
178	G	86.7	Confident	92.2	Very high	34 Å²	34	40 Å²	40	35%	0.351	20%	0.203	S	C	.	.	S	Bend	trans	86.1	-0.2	178.7	0	0	0	0	0	115.2	T175 D176	T175-G178 PolarHBondContact O-N 3.19Å; D176-G178 PolarHBondContact O-N 3.02Å
179	H	90.3	Very high	92.1	Very high	60 Å²	60	41.4 Å²	41.4	28%	0.278	21%	0.212	S	C	.	.			trans	-79.5	151.2	173.5	-64	-64.3	0	0	0	112.1	E28 N30 T175	E28-H179 HydrophobicContact CB-CB 4.08Å; E28-H179 HydrophobicContact CG-CB 4.28Å; E28-H179 IonicContact OE2-CD2 3.57Å; E28-H179 IonicContact OE2-CG 3.86Å; N30-H179 PolarHBondContact OD1-ND1 2.05Å; N30-H179 VanDerWaalsContact OD1-ND1 3.11Å; T175-H179 PolarHBondContact N-O 3.48Å; T175-H179 WeakPolarHBondContact OG1-CA 3.31Å; T175-H179 WeakPolarHBondContact OG1-CB 3.34Å; T175-H179 PolarHBondContact OG1-N 3.05Å; T175-H179 VanDerWaalsContact OG1-N 3.1Å; T175-H179 PolarHBondContact OG1-O 3.13Å
180	Y	91.9	Very high	91.9	Very high	35 Å²	35	43.9 Å²	43.9	14%	0.137	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	132.6	177.6	-60.1	-91.9	0	0	0	111	F29 K31 M90 A91 Y172 Q174	F29-Y180 PolarHBondContact N-O 3.5Å; F29-Y180 WeakPolarHBondContact O-CB 3.36Å; F29-Y180 PolarHBondContact O-N 3.12Å; K31-Y180 HydrophobicContact CB-CE2 3.9Å; M90-Y180 HydrophobicContact CE-CG 4.26Å; A91-Y180 HydrophobicContact CB-CD1 4.5Å; A91-Y180 HydrophobicContact CB-CE1 4.3Å; Y172-Y180 AromaticContact CD2-CD1 3.42Å; Y172-Y180 HydrophobicContact CD2-CD1 3.42Å; Y172-Y180 VanDerWaalsContact CD2-CD1 3.42Å; Y172-Y180 AromaticContact CD2-CE1 3.88Å; Y172-Y180 HydrophobicContact CD2-CE1 3.88Å; Y172-Y180 AromaticContact CE2-CD1 3.64Å; Y172-Y180 HydrophobicContact CE2-CD1 3.64Å; Y172-Y180 AromaticContact CE2-CE1 3.56Å; Y172-Y180 HydrophobicContact CE2-CE1 3.56Å; Y172-Y180 AromaticContact CG-CD1 3.95Å; Y172-Y180 HydrophobicContact CG-CD1 3.95Å; Q174-Y180 HydrophobicContact CB-CD1 4.47Å; Q174-Y180 HydrophobicContact CB-CE1 4.46Å; Q174-Y180 HydrophobicContact CG-CE1 4.27Å
181	R	92.5	Very high	91.8	Very high	61 Å²	61	44.4 Å²	44.4	23%	0.23	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	134.2	175	-66.6	179.6	-179.9	156.5	0.5	110	P26 E28 Y172 H173 T175 W241	P26-R181 HydrophobicContact CB-CG 4.46Å; E28-R181 HydrophobicContact CG-CG 4.29Å; E28-R181 IonicContact OE1-CZ 3.7Å; E28-R181 IonicContact OE1-NE 3.95Å; E28-R181 PolarHBondContact OE1-NE 2.89Å; E28-R181 IonicContact OE1-NH2 2.86Å; E28-R181 PolarHBondContact OE1-NH2 2.94Å; Y172-R181 CarbonylContact C-O 3.57Å; Y172-R181 VanDerWaalsContact CA-O 3.3Å; Y172-R181 WeakPolarHBondContact CA-O 3.33Å; H173-R181 PolarHBondContact N-O 2.77Å; H173-R181 PolarHBondContact O-N 2.98Å; T175-R181 HydrophobicContact CG2-CG 4.12Å; T175-R181 VanDerWaalsContact CG2-CZ 3.47Å; R181-W241 HydrophobicContact CB-CB 4.4Å
182	F	92.4	Very high	91.5	Very high	1 Å²	1	43.2 Å²	43.2	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	121.8	178.6	-174	-104.1	0	0	0	111.6	F29 I127 D128 L130 L170 G184 F185 W234 R244	F29-F182 HydrophobicContact CE2-CB 4.44Å; I127-F182 HydrophobicContact CB-CD1 4.45Å; I127-F182 HydrophobicContact CB-CE1 3.72Å; I127-F182 HydrophobicContact CB-CZ 3.79Å; I127-F182 HydrophobicContact CD1-CZ 4.1Å; I127-F182 HydrophobicContact CG2-CD1 3.89Å; I127-F182 HydrophobicContact CG2-CD2 4.24Å; I127-F182 HydrophobicContact CG2-CE1 3.57Å; I127-F182 HydrophobicContact CG2-CE2 3.97Å; I127-F182 HydrophobicContact CG2-CG 4.2Å; I127-F182 HydrophobicContact CG2-CZ 3.62Å; D128-F182 HydrophobicContact CB-CB 4.49Å; D128-F182 HydrophobicContact CB-CD1 4.1Å; L130-F182 HydrophobicContact CB-CD1 4.33Å; L130-F182 HydrophobicContact CB-CE1 3.98Å; L130-F182 HydrophobicContact CD2-CD1 4.13Å; L130-F182 HydrophobicContact CD2-CE1 3.72Å; L130-F182 HydrophobicContact CG-CE1 4.46Å; L170-F182 HydrophobicContact CB-CE2 4.15Å; L170-F182 HydrophobicContact CD1-CE2 4.4Å; L170-F182 HydrophobicContact CD2-CE2 4Å; L170-F182 HydrophobicContact CD2-CZ 4.07Å; L170-F182 HydrophobicContact CG-CE2 4.42Å; F182-G184 WeakPolarHBondContact CE2-O 3.49Å; F182-G184 WeakPolarHBondContact CZ-O 3.45Å; F182-F185 HydrophobicContact CE1-CB 3.99Å; F182-F185 HydrophobicContact CZ-CB 3.72Å; F182-F185 HydrophobicContact CZ-CG 4.12Å; F182-W234 AromaticContact CD2-CH2 3.73Å; F182-W234 HydrophobicContact CD2-CH2 3.73Å; F182-W234 AromaticContact CD2-CZ3 3.8Å; F182-W234 HydrophobicContact CD2-CZ3 3.8Å; F182-W234 AromaticContact CE2-CH2 3.87Å; F182-W234 HydrophobicContact CE2-CH2 3.87Å; F182-W234 AromaticContact CE2-CZ3 3.97Å; F182-W234 HydrophobicContact CE2-CZ3 3.97Å; F182-R244 PolarHBondContact O-NH1 2.89Å; F182-R244 VanDerWaalsContact O-NH1 3.08Å
183	V	92.2	Very high	91.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	-11.2	-171.1	-59.6	0	0	0	0	115.6	Q171 H173 W241 R244	Q171-V183 HydrophobicContact CB-CG2 4.05Å; Q171-V183 WeakPolarHBondContact O-CG2 3.36Å; Q171-V183 PolarHBondContact O-N 3.41Å; H173-V183 HydrophobicContact CB-CG1 3.75Å; H173-V183 HydrophobicContact CB-CG2 4.2Å; V183-W241 HydrophobicContact CG1-CB 4.36Å; V183-R244 HydrophobicContact CB-CB 4.11Å; V183-R244 HydrophobicContact CG1-CB 4.48Å; V183-R244 WeakPolarHBondContact O-CB 3.32Å
184	G	92.5	Very high	90.6	Very high	4 Å²	4	44.3 Å²	44.3	4%	0.041	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	138.9	178.1	0	0	0	0	0	112.5	Q171 F182	Q171-G184 PolarHBondContact N-O 3.06Å; Q171-G184 PolarHBondContact O-N 2.87Å; F182-G184 WeakPolarHBondContact CE2-O 3.49Å; F182-G184 WeakPolarHBondContact CZ-O 3.45Å
185	F	94.2	Very high	89.9	Confident	5 Å²	5	47.9 Å²	47.9	2%	0.022	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	97.2	178.6	-170.4	-174.1	0	0	0	110.8	L125 I127 L130 C132 G133 F168 L170 F182 I187 Y248	L125-F185 HydrophobicContact CB-CE1 4.09Å; L125-F185 HydrophobicContact CB-CZ 3.92Å; I127-F185 HydrophobicContact CB-CD1 4.09Å; I127-F185 HydrophobicContact CB-CE1 4.11Å; I127-F185 HydrophobicContact CD1-CD1 4.12Å; I127-F185 HydrophobicContact CD1-CD2 4.2Å; I127-F185 HydrophobicContact CD1-CE1 3.77Å; I127-F185 HydrophobicContact CD1-CE2 3.89Å; I127-F185 HydrophobicContact CD1-CG 4.32Å; I127-F185 HydrophobicContact CD1-CZ 3.64Å; I127-F185 HydrophobicContact CG1-CD1 4.09Å; I127-F185 HydrophobicContact CG1-CE1 3.65Å; I127-F185 HydrophobicContact CG1-CZ 3.96Å; L130-F185 HydrophobicContact CD2-CB 4.04Å; L130-F185 HydrophobicContact CG-CB 4.43Å; L130-F185 WeakPolarHBondContact O-CD1 3.23Å; C132-F185 HydrophobicContact CB-CD1 3.77Å; C132-F185 HydrophobicContact CB-CD2 4Å; C132-F185 HydrophobicContact CB-CE1 3.55Å; C132-F185 HydrophobicContact CB-CE2 3.75Å; C132-F185 HydrophobicContact CB-CG 4.01Å; C132-F185 HydrophobicContact CB-CZ 3.55Å; G133-F185 PolarHBondContact N-O 2.82Å; F168-F185 AromaticContact CD1-CE2 3.7Å; F168-F185 HydrophobicContact CD1-CE2 3.7Å; F168-F185 HydrophobicContact CD1-CZ 4.3Å; F168-F185 HydrophobicContact CE1-CE2 4.01Å; F168-F185 HydrophobicContact CE1-CZ 4.18Å; L170-F185 HydrophobicContact CD2-CD2 3.54Å; L170-F185 HydrophobicContact CD2-CE2 4.03Å; L170-F185 HydrophobicContact CD2-CG 4.32Å; F182-F185 HydrophobicContact CE1-CB 3.99Å; F182-F185 HydrophobicContact CZ-CB 3.72Å; F182-F185 HydrophobicContact CZ-CG 4.12Å; F185-I187 HydrophobicContact CD2-CG1 4.26Å; F185-I187 HydrophobicContact CE2-CD1 3.68Å; F185-I187 HydrophobicContact CE2-CG1 3.63Å; F185-I187 HydrophobicContact CZ-CD1 3.91Å; F185-I187 HydrophobicContact CZ-CG1 4.36Å; F185-Y248 PolarHBondContact O-OH 3.39Å
186	E	94.5	Very high	89.3	Confident	18 Å²	18	48.8 Å²	48.8	8%	0.084	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	144.7	175.6	175.8	170.8	-178.8	0	0	110.9	G133 K135 Y146 I169	G133-E186 CarbonylContact O-C 3.49Å; G133-E186 VanDerWaalsContact O-CA 3.31Å; G133-E186 WeakPolarHBondContact O-CA 3.37Å; K135-E186 WeakPolarHBondContact CB-OE1 3.12Å; Y146-E186 HydrophobicContact CE1-CG 4.41Å; I169-E186 HydrophobicContact CB-CB 4.07Å; I169-E186 HydrophobicContact CB-CG 4.31Å; I169-E186 HydrophobicContact CD1-CG 4.46Å; I169-E186 PolarHBondContact N-O 3.13Å; I169-E186 PolarHBondContact O-N 2.72Å
187	I	95.2	Very high	89.1	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	127.7	174.6	-62.5	178.9	0	0	0	108.9	L125 C132 G133 Y150 L166 K167 F168 F185 P189	L125-I187 HydrophobicContact CD1-CD1 3.86Å; C132-I187 HydrophobicContact CB-CD1 3.51Å; C132-I187 HydrophobicContact CB-CG1 3.96Å; G133-I187 PolarHBondContact O-N 3.08Å; Y150-I187 HydrophobicContact CD1-CD1 3.88Å; Y150-I187 HydrophobicContact CD1-CG2 4.33Å; Y150-I187 HydrophobicContact CE1-CD1 4.41Å; Y150-I187 HydrophobicContact CG-CG2 4.25Å; L166-I187 HydrophobicContact CB-CG2 4.28Å; L166-I187 HydrophobicContact CD2-CG2 4.06Å; K167-I187 WeakPolarHBondContact O-CA 3.13Å; F168-I187 HydrophobicContact CD1-CD1 4.33Å; F168-I187 HydrophobicContact CD1-CG1 4.2Å; F168-I187 HydrophobicContact CE1-CD1 3.98Å; F168-I187 HydrophobicContact CE1-CG1 4.34Å; F185-I187 HydrophobicContact CD2-CG1 4.26Å; F185-I187 HydrophobicContact CE2-CD1 3.68Å; F185-I187 HydrophobicContact CE2-CG1 3.63Å; F185-I187 HydrophobicContact CZ-CD1 3.91Å; F185-I187 HydrophobicContact CZ-CG1 4.36Å; I187-P189 WeakPolarHBondContact O-CD 2.94Å
188	E	93.7	Very high	88.9	Confident	68 Å²	68	39.3 Å²	39.3	32%	0.318	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	101.8	165.7	-69.3	-177.6	157.6	0	0	108.6	K167 I169 M190	K167-E188 HydrophobicContact CB-CB 4.21Å; K167-E188 WeakPolarHBondContact CD-OE2 3.24Å; K167-E188 WeakPolarHBondContact CE-OE2 3.48Å; K167-E188 PolarHBondContact N-O 2.86Å; K167-E188 VanDerWaalsContact N-O 3.09Å; K167-E188 IonicContact NZ-OE2 2.67Å; K167-E188 PolarHBondContact NZ-OE2 2.87Å; K167-E188 PolarHBondContact O-N 3.1Å; I169-E188 HydrophobicContact CD1-CG 3.86Å; E188-M190 HydrophobicContact CB-CE 4.36Å
189	P	94.3	Very high	88.5	Confident	31 Å²	31	40.2 Å²	40.2	20%	0.201	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	138.7	178.7	32.7	-35.2	0	0	0	111.3	T134 Y150 N163 L166 I187	T134-P189 HydrophobicContact CG2-CG 4.39Å; Y150-P189 HydrophobicContact CD2-CB 4.1Å; N163-P189 HydrophobicContact CB-CB 3.87Å; L166-P189 HydrophobicContact CD2-CB 4.17Å; I187-P189 WeakPolarHBondContact O-CD 2.94Å
190	M	91.6	Very high	87.9	Confident	64 Å²	64	42.6 Å²	42.6	32%	0.315	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	155.8	176.6	-52.8	-178.9	-156.4	0	0	111.7	N163 N164 H165 K167 E188	N163-M190 CarbonylContact C-O 3.53Å; N163-M190 VanDerWaalsContact CA-O 3.32Å; N163-M190 WeakPolarHBondContact CA-O 3.43Å; N164-M190 PolarHBondContact N-O 3.27Å; N164-M190 VanDerWaalsContact N-O 3.16Å; H165-M190 HydrophobicContact CB-CB 4.21Å; H165-M190 PolarHBondContact N-O 2.92Å; H165-M190 PolarHBondContact O-N 2.63Å; K167-M190 HydrophobicContact CB-CE 4.29Å; K167-M190 HydrophobicContact CD-CE 4.08Å; E188-M190 HydrophobicContact CB-CE 4.36Å
191	S	92.1	Very high	87.3	Confident	11 Å²	11	49.1 Å²	49.1	8%	0.077	24%	0.243	C	C	.	.			trans	-107.2	118.7	175.1	-167	0	0	0	0	110.4	I162 K217	I162-S191 WeakPolarHBondContact O-CA 3.48Å; I162-S191 WeakPolarHBondContact O-CB 3.27Å; I162-S191 PolarHBondContact O-OG 3.08Å; S191-K217 PolarHBondContact OG-N 3.42Å
192	I	89.5	Confident	86.7	Confident	12 Å²	12	47.4 Å²	47.4	6%	0.062	24%	0.244	C	C	.	.			trans	-123.1	120.1	-178.3	-55	-177.3	0	0	0	109.4	N164 H165 N196 L197 L207	N164-I192 PolarHBondContact ND2-O 2.78Å; N164-I192 PolarHBondContact OD1-N 2.93Å; N164-I192 PolarHBondContact OD1-O 3.5Å; H165-I192 HydrophobicContact CB-CD1 3.45Å; H165-I192 VanDerWaalsContact CB-CD1 3.45Å; H165-I192 HydrophobicContact CB-CG1 3.8Å; I192-N196 HydrophobicContact CG2-CB 4.44Å; I192-L197 HydrophobicContact CG2-CB 4.23Å; I192-L197 HydrophobicContact CG2-CD1 4.13Å; I192-L207 HydrophobicContact CD1-CD1 3.91Å; I192-L207 HydrophobicContact CD1-CD2 3.87Å; I192-L207 HydrophobicContact CD1-CG 4.24Å
193	S	87.3	Confident	86.4	Confident	13 Å²	13	50.6 Å²	50.6	9%	0.091	26%	0.264	C	S	.	.			trans	-80.8	160.9	171.5	71.8	0	0	0	0	112.4	K195 N196 N215	S193-K195 PolarHBondContact O-N 2.97Å; S193-K195 VanDerWaalsContact O-N 3.13Å; S193-N196 PolarHBondContact O-N 2.74Å; S193-N215 WeakPolarHBondContact CB-O 3.5Å; S193-N215 PolarHBondContact N-O 3.38Å; S193-N215 PolarHBondContact OG-O 3.25Å
194	E	81.7	Confident	86	Confident	89 Å²	89	51.6 Å²	51.6	42%	0.416	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-55.3	-29.2	177	-71.3	156.6	-144.4	0	0	113.4	N196 L197 K217 V225	E194-N196 VanDerWaalsContact C-N 3.27Å; E194-N196 PolarHBondContact O-N 3.35Å; E194-L197 PolarHBondContact O-N 3.49Å; E194-K217 IonicContact OE1-NZ 3.85Å; E194-K217 PolarHBondContact OE1-NZ 3.2Å; E194-V225 VanDerWaalsContact OE1-O 3.08Å
195	K	77.4	Confident	85.3	Confident	178 Å²	178	56 Å²	56	77%	0.774	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-65.7	-29.8	-177.7	-66.6	179.4	178.6	179.5	0	113.3	S193	S193-K195 PolarHBondContact O-N 2.97Å; S193-K195 VanDerWaalsContact O-N 3.13Å
196	N	75.9	Confident	84.1	Confident	33 Å²	33	62.1 Å²	62.1	18%	0.176	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-101.9	2.6	-178.3	-75.7	21.9	0	0	0	112.5	I192 S193 E194 N215	I192-N196 HydrophobicContact CG2-CB 4.44Å; S193-N196 PolarHBondContact O-N 2.74Å; E194-N196 VanDerWaalsContact C-N 3.27Å; E194-N196 PolarHBondContact O-N 3.35Å; N196-N215 VanDerWaalsContact ND2-CB 3.29Å; N196-N215 WeakPolarHBondContact ND2-CB 3.43Å; N196-N215 PolarHBondContact ND2-ND2 3.44Å
197	L	80	Confident	82.9	Confident	17 Å²	17	64.6 Å²	64.6	9%	0.089	34%	0.335	C	S	.	.			trans	-107	93.9	-174.5	-165.7	75.1	0	0	0	110.3	I192 E194 L199 H227 T229	I192-L197 HydrophobicContact CG2-CB 4.23Å; I192-L197 HydrophobicContact CG2-CD1 4.13Å; E194-L197 PolarHBondContact O-N 3.49Å; L197-L199 HydrophobicContact CD1-CD2 4.29Å; L197-L199 HydrophobicContact CD2-CD1 3.64Å; L197-L199 HydrophobicContact CD2-CD2 4.27Å; L197-L199 HydrophobicContact CD2-CG 4.04Å; L197-L199 HydrophobicContact CG-CD1 4.03Å; L197-L199 HydrophobicContact CG-CD2 4.08Å; L197-L199 HydrophobicContact CG-CG 3.88Å; L197-H227 HydrophobicContact CD2-CB 3.37Å; L197-T229 HydrophobicContact CD1-CG2 3.99Å; L197-T229 HydrophobicContact CD2-CG2 4.34Å
198	N	80.3	Confident	81.2	Confident	92 Å²	92	69.9 Å²	69.9	49%	0.492	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	116.9	169.4	-65.4	-43.8	0	0	0	109.6	C204 K205	N198-C204 WeakPolarHBondContact O-CA 3.5Å; N198-K205 PolarHBondContact O-N 3.12Å
199	L	78.5	Confident	79.4	Confident	53 Å²	53	72 Å²	72	28%	0.277	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	120.7	-177.1	-65.8	162.2	0	0	0	110.2	E98 L197	E98-L199 HydrophobicContact CG-CD1 3.86Å; E98-L199 HydrophobicContact CG-CD2 3.5Å; E98-L199 HydrophobicContact CG-CG 4.24Å; E98-L199 WeakPolarHBondContact OE1-CD1 3.39Å; L197-L199 HydrophobicContact CD1-CD2 4.29Å; L197-L199 HydrophobicContact CD2-CD1 3.64Å; L197-L199 HydrophobicContact CD2-CD2 4.27Å; L197-L199 HydrophobicContact CD2-CG 4.04Å; L197-L199 HydrophobicContact CG-CD1 4.03Å; L197-L199 HydrophobicContact CG-CD2 4.08Å; L197-L199 HydrophobicContact CG-CG 3.88Å
200	E	77.6	Confident	77.8	Confident	109 Å²	109	75.6 Å²	75.6	51%	0.509	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121.9	168.2	-77.2	-174.7	-144.7	0	0	108.9	G202 V203 K205	E200-G202 PolarHBondContact O-N 2.89Å; E200-V203 PolarHBondContact N-O 3.11Å; E200-V203 PolarHBondContact O-N 3.36Å; E200-K205 HydrophobicContact CG-CD 4.3Å; E200-K205 WeakPolarHBondContact OE1-CD 3.36Å; E200-K205 IonicContact OE1-NZ 2.95Å; E200-K205 PolarHBondContact OE1-NZ 2.86Å; E200-K205 WeakPolarHBondContact OE2-CE 3.1Å; E200-K205 IonicContact OE2-NZ 2.61Å; E200-K205 PolarHBondContact OE2-NZ 3.01Å
201	N	79.3	Confident	76.4	Confident	173 Å²	173	80 Å²	80	93%	0.925	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	31.5	-178.1	-60.8	-21.4	0	0	0	114
202	G	80	Confident	75.8	Confident	25 Å²	25	81.5 Å²	81.5	26%	0.258	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	4.9	-178.9	0	0	0	0	0	115.4	S97 E98 E200	S97-G202 CarbonylContact C-O 3.46Å; S97-G202 WeakPolarHBondContact CA-O 3.19Å; S97-G202 WeakPolarHBondContact CB-O 3.44Å; E98-G202 PolarHBondContact N-O 3.43Å; E200-G202 PolarHBondContact O-N 2.89Å
203	V	85.7	Confident	75.2	Confident	68 Å²	68	84.7 Å²	84.7	41%	0.412	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	138.2	175.6	-176.9	0	0	0	0	109.9	C96 E200	C96-V203 WeakPolarHBondContact O-CG1 3.43Å; E200-V203 PolarHBondContact N-O 3.11Å; E200-V203 PolarHBondContact O-N 3.36Å
204	C	83.8	Confident	74.8	Confident	20 Å²	20	88 Å²	88	14%	0.135	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	130.8	177.8	-39.2	0	0	0	0	110.4	C96 N198 L207	C96-C204 HydrophobicContact CB-CB 3.55Å; C96-C204 WeakPolarHBondContact CB-SG 3.41Å; C96-C204 PolarHBondContact O-N 3.35Å; C96-C204 PolarHBondContact O-SG 2.73Å; C96-C204 WeakPolarHBondContact SG-CB 3.41Å; C96-C204 CovalentContact SG-SG 2.05Å; C96-C204 PolarHBondContact SG-SG 2.91Å; N198-C204 WeakPolarHBondContact O-CA 3.5Å; C204-L207 HydrophobicContact CB-CD1 3.97Å
205	K	79.5	Confident	74.9	Confident	98 Å²	98	85.4 Å²	85.4	43%	0.426	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	143.6	169.3	-74.5	-171.9	175.8	-179.2	0	111	N198 E200 L207	N198-K205 PolarHBondContact O-N 3.12Å; E200-K205 HydrophobicContact CG-CD 4.3Å; E200-K205 WeakPolarHBondContact OE1-CD 3.36Å; E200-K205 IonicContact OE1-NZ 2.95Å; E200-K205 PolarHBondContact OE1-NZ 2.86Å; E200-K205 WeakPolarHBondContact OE2-CE 3.1Å; E200-K205 IonicContact OE2-NZ 2.61Å; E200-K205 PolarHBondContact OE2-NZ 3.01Å; K205-L207 PolarHBondContact O-N 3.46Å
206	N	68.9	Low	75.5	Confident	132 Å²	132	80.1 Å²	80.1	71%	0.706	44%	0.444	S	S	*	.			trans	51	56.5	175.6	-59.1	-16	0	0	0	113	D208	N206-D208 VanDerWaalsContact C-N 3.3Å; N206-D208 PolarHBondContact O-N 3.01Å
207	L	67.8	Low	76.2	Confident	71 Å²	71	79.7 Å²	79.7	37%	0.372	44%	0.44	S	S	.	.			trans	-70.9	94.5	170	-140.7	135.1	0	0	0	106.7	C96 I192 C204 K205 S209	C96-L207 HydrophobicContact CB-CD1 4.27Å; C96-L207 WeakPolarHBondContact SG-CD1 3.49Å; I192-L207 HydrophobicContact CD1-CD1 3.91Å; I192-L207 HydrophobicContact CD1-CD2 3.87Å; I192-L207 HydrophobicContact CD1-CG 4.24Å; C204-L207 HydrophobicContact CB-CD1 3.97Å; K205-L207 PolarHBondContact O-N 3.46Å; L207-S209 PolarHBondContact O-N 3.38Å; L207-S209 VanDerWaalsContact O-N 3.13Å
208	D	60.3	Low	76.8	Confident	111 Å²	111	82.8 Å²	82.8	59%	0.594	45%	0.453	S	S	*	.			trans	-56.8	121.1	177.8	-82.6	-26	0	0	0	108.2	N206 D210	N206-D208 VanDerWaalsContact C-N 3.3Å; N206-D208 PolarHBondContact O-N 3.01Å; D208-D210 PolarHBondContact O-N 3.13Å
209	S	55.9	Low	77.3	Confident	111 Å²	111	78.4 Å²	78.4	78%	0.776	43%	0.43	S	S	*	.			trans	-66.9	4	178.3	61	0	0	0	0	113.1	L207 M211	L207-S209 PolarHBondContact O-N 3.38Å; L207-S209 VanDerWaalsContact O-N 3.13Å; S209-M211 VanDerWaalsContact C-N 3.35Å; S209-M211 PolarHBondContact O-N 3.4Å
210	D	59.7	Low	77.8	Confident	107 Å²	107	78.8 Å²	78.8	57%	0.572	43%	0.432	S	S	*	.			trans	-73.3	90.7	178.4	-162.9	4.9	0	0	0	109.8	D208 S212 N215	D208-D210 PolarHBondContact O-N 3.13Å; D210-S212 PolarHBondContact O-N 3.01Å; D210-N215 PolarHBondContact O-ND2 3.14Å
211	M	62.9	Low	78.2	Confident	157 Å²	157	74.4 Å²	74.4	77%	0.773	42%	0.416	S	S	*	.			trans	-68.5	18.8	-178.7	-68	-176.1	-78.3	0	0	113.8	S209 W216	S209-M211 VanDerWaalsContact C-N 3.35Å; S209-M211 PolarHBondContact O-N 3.4Å; M211-W216 PolarHBondContact O-NE1 3.19Å
212	S	78.9	Confident	78.7	Confident	42 Å²	42	73.6 Å²	73.6	29%	0.294	40%	0.404	S	S	.	.			trans	-59.7	142.3	179.4	83.4	0	0	0	0	111.5	D210 A214 N215	D210-S212 PolarHBondContact O-N 3.01Å; S212-A214 PolarHBondContact O-N 3.14Å; S212-N215 WeakPolarHBondContact O-CB 3.3Å; S212-N215 PolarHBondContact O-N 3.41Å; S212-N215 PolarHBondContact OG-ND2 3.26Å
213	I	77.9	Confident	79.2	Confident	79 Å²	79	78.7 Å²	78.7	41%	0.405	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-58.8	-24.3	-179.1	-61.8	157.6	0	0	0	111.6	V156 Y161 N215 W216	V156-I213 HydrophobicContact CG1-CD1 4.1Å; Y161-I213 HydrophobicContact CE1-CG2 4.32Å; Y161-I213 HydrophobicContact CE2-CG2 4.19Å; I213-N215 PolarHBondContact O-N 3.2Å; I213-N215 VanDerWaalsContact O-N 3.15Å; I213-W216 HydrophobicContact CG1-CE3 4.47Å; I213-W216 HydrophobicContact CG1-CH2 4.34Å; I213-W216 HydrophobicContact CG1-CZ2 4.42Å; I213-W216 HydrophobicContact CG1-CZ3 4.36Å; I213-W216 HydrophobicContact CG2-CE3 4.34Å; I213-W216 WeakPolarHBondContact O-CB 3.48Å; I213-W216 PolarHBondContact O-N 2.94Å
214	A	78.4	Confident	79.5	Confident	84 Å²	84	76.8 Å²	76.8	69%	0.694	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-60.3	-23.6	176.8	0	0	0	0	0	113.3	S212	S212-A214 PolarHBondContact O-N 3.14Å
215	N	84.2	Confident	79.8	Confident	33 Å²	33	78.1 Å²	78.1	18%	0.176	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-94.2	-2.1	-176.7	-64.3	-21.6	0	0	0	113.2	S193 N196 D210 S212 I213	S193-N215 WeakPolarHBondContact CB-O 3.5Å; S193-N215 PolarHBondContact N-O 3.38Å; S193-N215 PolarHBondContact OG-O 3.25Å; N196-N215 VanDerWaalsContact ND2-CB 3.29Å; N196-N215 WeakPolarHBondContact ND2-CB 3.43Å; N196-N215 PolarHBondContact ND2-ND2 3.44Å; D210-N215 PolarHBondContact O-ND2 3.14Å; S212-N215 WeakPolarHBondContact O-CB 3.3Å; S212-N215 PolarHBondContact O-N 3.41Å; S212-N215 PolarHBondContact OG-ND2 3.26Å; I213-N215 PolarHBondContact O-N 3.2Å; I213-N215 VanDerWaalsContact O-N 3.15Å
216	W	89.6	Confident	80.3	Confident	68 Å²	68	73.5 Å²	73.5	26%	0.258	40%	0.397	S	S	.	.	S	Bend	trans	-84.3	148.3	-175.8	-65.4	6	0	0	0	112.2	V156 Y161 M211 I213 K218	V156-W216 HydrophobicContact CG2-CZ3 3.8Å; Y161-W216 HydrophobicContact CD1-CB 3.43Å; Y161-W216 VanDerWaalsContact CD1-CB 3.43Å; Y161-W216 HydrophobicContact CD1-CE3 4.31Å; Y161-W216 HydrophobicContact CD2-CE3 4.03Å; Y161-W216 HydrophobicContact CE1-CB 3.93Å; Y161-W216 HydrophobicContact CG-CB 4.07Å; Y161-W216 AromaticContact CG-CE3 3.88Å; Y161-W216 HydrophobicContact CG-CE3 3.88Å; M211-W216 PolarHBondContact O-NE1 3.19Å; I213-W216 HydrophobicContact CG1-CE3 4.47Å; I213-W216 HydrophobicContact CG1-CH2 4.34Å; I213-W216 HydrophobicContact CG1-CZ2 4.42Å; I213-W216 HydrophobicContact CG1-CZ3 4.36Å; I213-W216 HydrophobicContact CG2-CE3 4.34Å; I213-W216 WeakPolarHBondContact O-CB 3.48Å; I213-W216 PolarHBondContact O-N 2.94Å; W216-K218 PolarHBondContact O-N 2.94Å; W216-K218 VanDerWaalsContact O-N 3.16Å
217	K	91	Very high	81.3	Confident	23 Å²	23	68.7 Å²	68.7	10%	0.1	37%	0.37	C	S	.	.			trans	-80.4	101	179.5	-175.4	65.6	175.8	-169.5	0	110.8	Y161 I162 S191 E194 I219 V225	Y161-K217 WeakPolarHBondContact CA-O 3.3Å; I162-K217 HydrophobicContact CG2-CB 3.86Å; I162-K217 HydrophobicContact CG2-CG 3.77Å; I162-K217 PolarHBondContact N-O 3.38Å; I162-K217 VanDerWaalsContact N-O 3.08Å; S191-K217 PolarHBondContact OG-N 3.42Å; E194-K217 IonicContact OE1-NZ 3.85Å; E194-K217 PolarHBondContact OE1-NZ 3.2Å; K217-I219 HydrophobicContact CG-CD1 4.47Å; K217-V225 WeakPolarHBondContact CE-O 3.46Å; K217-V225 PolarHBondContact NZ-O 3.22Å
218	K	91.9	Very high	82.5	Confident	83 Å²	83	65.8 Å²	65.8	36%	0.361	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-71	137.7	175	-170.5	178.5	-169.2	-141	0	112.2	V159 Y161 W216 D220	V159-K218 HydrophobicContact CG1-CD 3.74Å; V159-K218 HydrophobicContact CG1-CG 3.54Å; Y161-K218 HydrophobicContact CD1-CB 4.15Å; Y161-K218 HydrophobicContact CE1-CB 3.95Å; Y161-K218 HydrophobicContact CE1-CG 4.35Å; W216-K218 PolarHBondContact O-N 2.94Å; W216-K218 VanDerWaalsContact O-N 3.16Å; K218-D220 WeakPolarHBondContact CD-OD2 3.25Å; K218-D220 VanDerWaalsContact CE-CG 3.42Å; K218-D220 WeakPolarHBondContact CE-OD1 3.25Å; K218-D220 VanDerWaalsContact CE-OD2 3.26Å; K218-D220 WeakPolarHBondContact CE-OD2 3.19Å; K218-D220 IonicContact NZ-OD1 3.42Å; K218-D220 PolarHBondContact NZ-OD1 3.12Å; K218-D220 IonicContact NZ-OD2 3.21Å; K218-D220 PolarHBondContact NZ-OD2 3.44Å
219	I	92	Very high	84.1	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.327	C	S	.	.			trans	-114.6	99.6	173.1	-55.7	-61.1	0	0	0	109.6	A110 L113 R114 I117 A160 I162 K217 I226	A110-I219 WeakPolarHBondContact O-CG2 3.45Å; L113-I219 HydrophobicContact CD2-CD1 4.15Å; L113-I219 HydrophobicContact CD2-CG1 4.3Å; L113-I219 HydrophobicContact CD2-CG2 4.41Å; R114-I219 HydrophobicContact CB-CG2 3.96Å; R114-I219 WeakPolarHBondContact CD-O 3.32Å; I117-I219 HydrophobicContact CD1-CB 4.4Å; I117-I219 HydrophobicContact CD1-CG1 4.07Å; A160-I219 PolarHBondContact O-N 2.87Å; I162-I219 HydrophobicContact CB-CD1 4.34Å; I162-I219 HydrophobicContact CB-CG1 3.93Å; I162-I219 HydrophobicContact CG2-CD1 3.93Å; I162-I219 HydrophobicContact CG2-CG1 3.98Å; K217-I219 HydrophobicContact CG-CD1 4.47Å; I219-I226 HydrophobicContact CD1-CD1 3.66Å
220	D	88.3	Confident	85.9	Confident	61 Å²	61	55.8 Å²	55.8	33%	0.326	29%	0.293	S	S	.	.			trans	-92.8	-0.9	-177.6	-82.3	-31.6	0	0	0	114.8	R114 K218 K222	R114-D220 VanDerWaalsContact NH1-C 3.29Å; R114-D220 PolarHBondContact NH1-O 3.31Å; R114-D220 IonicContact NH1-OD1 2.78Å; K218-D220 WeakPolarHBondContact CD-OD2 3.25Å; K218-D220 VanDerWaalsContact CE-CG 3.42Å; K218-D220 WeakPolarHBondContact CE-OD1 3.25Å; K218-D220 VanDerWaalsContact CE-OD2 3.26Å; K218-D220 WeakPolarHBondContact CE-OD2 3.19Å; K218-D220 IonicContact NZ-OD1 3.42Å; K218-D220 PolarHBondContact NZ-OD1 3.12Å; K218-D220 IonicContact NZ-OD2 3.21Å; K218-D220 PolarHBondContact NZ-OD2 3.44Å; D220-K222 VanDerWaalsContact C-N 3.26Å
221	G	86.6	Confident	87.5	Confident	16 Å²	16	53.5 Å²	53.5	17%	0.165	28%	0.279	C	S	.	.	S	Bend	trans	81.1	5.7	-172.9	0	0	0	0	0	114	V111	V111-G221 WeakPolarHBondContact CG2-O 3.46Å
222	K	90.1	Very high	89.1	Confident	156 Å²	156	46.2 Å²	46.2	68%	0.678	24%	0.243	S	C	*	.	S	Bend	trans	-90	163.6	166.6	-62.5	-176.4	-178.4	179.9	0	109.6	A110 D220 T224	A110-K222 WeakPolarHBondContact CB-O 2.98Å; D220-K222 VanDerWaalsContact C-N 3.26Å; K222-T224 PolarHBondContact O-N 3.33Å
223	E	90.7	Very high	89.9	Confident	132 Å²	132	45.9 Å²	45.9	62%	0.617	24%	0.239	S	C	*	.			trans	-58.7	128.1	172.3	-174.5	167.3	-163.7	0	0	110.5	T104 I105	T104-E223 HydrophobicContact CG2-CG 3.4Å; T104-E223 WeakPolarHBondContact CG2-OE1 3.31Å; I105-E223 VanDerWaalsContact O-CA 3.32Å; I105-E223 WeakPolarHBondContact O-CA 3.45Å; I105-E223 WeakPolarHBondContact O-CG 3.48Å
224	T	90.7	Very high	90.8	Very high	28 Å²	28	42.9 Å²	42.9	17%	0.172	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	146	-177.5	56.7	0	0	0	0	110.6	I105 K222	I105-T224 PolarHBondContact N-O 3.49Å; I105-T224 PolarHBondContact O-N 2.83Å; K222-T224 PolarHBondContact O-N 3.33Å
225	V	90.4	Very high	91.6	Very high	48 Å²	48	42.7 Å²	42.7	29%	0.291	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	140.4	169.5	-178.4	0	0	0	0	108.6	P102 T104 E194 K217	P102-V225 HydrophobicContact CB-CG1 3.88Å; T104-V225 HydrophobicContact CG2-CG2 4.38Å; E194-V225 VanDerWaalsContact OE1-O 3.08Å; K217-V225 WeakPolarHBondContact CE-O 3.46Å; K217-V225 PolarHBondContact NZ-O 3.22Å
226	I	90.5	Very high	92.1	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.8	174.5	-56	-166.6	0	0	0	109.1	F103 I105 L113 I162 N164 I219 F228	F103-I226 PolarHBondContact O-N 3.14Å; I105-I226 HydrophobicContact CD1-CB 4.25Å; I105-I226 HydrophobicContact CD1-CD1 3.26Å; I105-I226 HydrophobicContact CD1-CG1 3.66Å; I105-I226 HydrophobicContact CG1-CD1 4.39Å; I105-I226 HydrophobicContact CG1-CG1 4.35Å; L113-I226 HydrophobicContact CD2-CD1 3.96Å; I162-I226 HydrophobicContact CD1-CD1 3.88Å; I162-I226 HydrophobicContact CG2-CD1 4.23Å; N164-I226 HydrophobicContact CB-CG2 3.96Å; I219-I226 HydrophobicContact CD1-CD1 3.66Å; I226-F228 HydrophobicContact CB-CE2 4.31Å; I226-F228 HydrophobicContact CG2-CD2 4.17Å; I226-F228 HydrophobicContact CG2-CE1 4.36Å; I226-F228 HydrophobicContact CG2-CE2 3.79Å; I226-F228 HydrophobicContact CG2-CZ 3.91Å
227	H	90.6	Very high	92.2	Very high	32 Å²	32	43.3 Å²	43.3	15%	0.148	22%	0.223	C	C	.	.			trans	-102	125.4	169.9	-64.4	-105.2	0	0	0	108.6	E98 P102 N164 L197	E98-H227 IonicContact OE1-CE1 3.97Å; E98-H227 IonicContact OE1-ND1 3.04Å; E98-H227 PolarHBondContact OE1-ND1 3.44Å; P102-H227 WeakPolarHBondContact CB-CE1 3.48Å; N164-H227 WeakPolarHBondContact CB-O 3.43Å; N164-H227 PolarHBondContact ND2-O 3.26Å; L197-H227 HydrophobicContact CD2-CB 3.37Å
228	F	92.8	Very high	92.1	Very high	10 Å²	10	49.8 Å²	49.8	4%	0.044	26%	0.259	C	S	.	.			trans	-100.2	125.8	173	-71.5	-81.8	0	0	0	109.3	F58 C59 V99 F103 I162 N164 I226	F58-F228 HydrophobicContact CD1-CE1 4.03Å; F58-F228 AromaticContact CD1-CZ 3.96Å; F58-F228 HydrophobicContact CD1-CZ 3.96Å; F58-F228 HydrophobicContact CE1-CE1 4.44Å; C59-F228 VanDerWaalsContact SG-CD2 3.55Å; V99-F228 HydrophobicContact CB-CB 4.31Å; V99-F228 HydrophobicContact CG2-CB 4.48Å; V99-F228 PolarHBondContact N-O 3.05Å; F103-F228 HydrophobicContact CE1-CD2 4.05Å; F103-F228 HydrophobicContact CE1-CE2 4.03Å; F103-F228 HydrophobicContact CZ-CD2 4.22Å; F103-F228 AromaticContact CZ-CE2 3.72Å; F103-F228 HydrophobicContact CZ-CE2 3.72Å; I162-F228 HydrophobicContact CD1-CE1 4.25Å; I162-F228 HydrophobicContact CD1-CZ 4.2Å; N164-F228 HydrophobicContact CB-CD1 4.1Å; N164-F228 HydrophobicContact CB-CE1 4.23Å; N164-F228 WeakPolarHBondContact O-CA 3.47Å; I226-F228 HydrophobicContact CB-CE2 4.31Å; I226-F228 HydrophobicContact CG2-CD2 4.17Å; I226-F228 HydrophobicContact CG2-CE1 4.36Å; I226-F228 HydrophobicContact CG2-CE2 3.79Å; I226-F228 HydrophobicContact CG2-CZ 3.91Å
229	T	92.8	Very high	91.9	Very high	1 Å²	1	48 Å²	48	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	153.5	-179.5	52.8	0	0	0	0	110.9	S97 E98 N164 H165 L166 L197	S97-T229 CarbonylContact O-C 3.53Å; S97-T229 WeakPolarHBondContact O-CA 3.42Å; S97-T229 WeakPolarHBondContact O-CB 3.21Å; E98-T229 HydrophobicContact CG-CG2 4.25Å; N164-T229 PolarHBondContact O-N 2.98Å; H165-T229 WeakPolarHBondContact CA-O 3.42Å; H165-T229 PolarHBondContact ND1-OG1 2.92Å; L166-T229 PolarHBondContact N-O 3.45Å; L197-T229 HydrophobicContact CD1-CG2 3.99Å; L197-T229 HydrophobicContact CD2-CG2 4.34Å
230	S	94.1	Very high	91.7	Very high	11 Å²	11	55 Å²	55	8%	0.077	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148.7	176.4	56.4	0	0	0	0	111.6	C96 S97 V99 L166	C96-S230 WeakPolarHBondContact CA-O 2.87Å; S97-S230 PolarHBondContact N-O 3.16Å; S97-S230 PolarHBondContact O-N 2.89Å; V99-S230 WeakPolarHBondContact CG2-OG 3.28Å; L166-S230 VanDerWaalsContact O-CA 3.25Å; L166-S230 WeakPolarHBondContact O-CA 3.49Å
231	E	94	Very high	91.6	Very high	59 Å²	59	53.5 Å²	53.5	28%	0.276	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	142.1	170.5	-177.9	-177.9	175.5	0	0	108.1	L166 K167 F168 V233	L166-E231 PolarHBondContact O-N 2.86Å; K167-E231 CarbonylContact C-O 3.59Å; K167-E231 WeakPolarHBondContact CA-O 3.28Å; K167-E231 HydrophobicContact CB-CB 4.39Å; K167-E231 HydrophobicContact CG-CB 4.34Å; K167-E231 HydrophobicContact CG-CG 4.48Å; F168-E231 WeakPolarHBondContact CD2-O 3.32Å; F168-E231 PolarHBondContact N-O 3.03Å; E231-V233 HydrophobicContact CG-CG2 4.42Å
232	V	95.9	Very high	91.4	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.018	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	124.4	178.5	-175.7	0	0	0	0	109.3	I88 N93 T94 F168 L170	I88-V232 HydrophobicContact CD1-CG2 4.15Å; I88-V232 HydrophobicContact CG1-CG2 4.07Å; I88-V232 HydrophobicContact CG2-CG1 4.16Å; N93-V232 WeakPolarHBondContact CA-O 3.32Å; T94-V232 PolarHBondContact N-O 3.22Å; T94-V232 PolarHBondContact O-N 2.86Å; T94-V232 WeakPolarHBondContact OG1-CB 3.18Å; T94-V232 WeakPolarHBondContact OG1-CG2 3.39Å; T94-V232 PolarHBondContact OG1-N 3.35Å; F168-V232 HydrophobicContact CB-CB 4.48Å; F168-V232 HydrophobicContact CB-CG1 4.38Å; F168-V232 HydrophobicContact CB-CG2 4.15Å; F168-V232 HydrophobicContact CD2-CG2 4.29Å; F168-V232 HydrophobicContact CG-CG2 4.45Å; L170-V232 HydrophobicContact CD1-CG1 3.84Å; L170-V232 HydrophobicContact CG-CG1 4.35Å
233	V	96.4	Very high	91	Very high	35 Å²	35	50.8 Å²	50.8	21%	0.212	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.1	176.2	-178.7	0	0	0	0	108.2	F168 L170 E231	F168-V233 PolarHBondContact O-N 2.96Å; L170-V233 PolarHBondContact N-O 2.85Å; E231-V233 HydrophobicContact CG-CG2 4.42Å
234	W	96.5	Very high	90.8	Very high	17 Å²	17	44.9 Å²	44.9	6%	0.064	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	135.6	173.9	-73.9	98.2	0	0	0	111.7	I35 I88 K89 M90 E92 N93 L170 Y172 F182	I35-W234 HydrophobicContact CD1-CH2 3.6Å; I35-W234 HydrophobicContact CD1-CZ2 3.64Å; I88-W234 HydrophobicContact CG2-CZ2 3.82Å; K89-W234 PolarHBondContact O-NE1 3.46Å; M90-W234 HydrophobicContact CE-CH2 4.2Å; M90-W234 HydrophobicContact CE-CZ3 4.09Å; M90-W234 HydrophobicContact SD-CH2 3.38Å; M90-W234 WeakPolarHBondContact SD-CH2 3.48Å; M90-W234 HydrophobicContact SD-CZ2 3.86Å; M90-W234 HydrophobicContact SD-CZ3 3.86Å; E92-W234 VanDerWaalsContact O-CD1 3.24Å; E92-W234 PolarHBondContact O-NE1 3.42Å; N93-W234 WeakPolarHBondContact OD1-CB 3.4Å; N93-W234 PolarHBondContact OD1-N 3.04Å; L170-W234 HydrophobicContact CB-CD2 3.73Å; L170-W234 HydrophobicContact CB-CE3 3.37Å; L170-W234 HydrophobicContact CB-CH2 3.82Å; L170-W234 HydrophobicContact CB-CZ2 4.11Å; L170-W234 HydrophobicContact CB-CZ3 3.45Å; L170-W234 VanDerWaalsContact CB-CZ3 3.45Å; L170-W234 HydrophobicContact CD1-CD2 4.36Å; L170-W234 HydrophobicContact CD1-CH2 3.73Å; L170-W234 HydrophobicContact CD1-CZ2 3.48Å; L170-W234 VanDerWaalsContact CD1-CZ2 3.48Å; L170-W234 HydrophobicContact CD1-CZ3 4.25Å; L170-W234 HydrophobicContact CG-CH2 4.43Å; L170-W234 HydrophobicContact CG-CZ2 4.47Å; L170-W234 CarbonylContact O-C 3.53Å; L170-W234 VanDerWaalsContact O-CA 3.28Å; L170-W234 WeakPolarHBondContact O-CA 3.14Å; Y172-W234 HydrophobicContact CD1-CB 4.25Å; Y172-W234 HydrophobicContact CD1-CD2 4.33Å; Y172-W234 AromaticContact CD1-CE3 3.72Å; Y172-W234 HydrophobicContact CD1-CE3 3.72Å; Y172-W234 HydrophobicContact CD1-CZ3 4.42Å; Y172-W234 HydrophobicContact CE1-CB 4.11Å; F182-W234 AromaticContact CD2-CH2 3.73Å; F182-W234 HydrophobicContact CD2-CH2 3.73Å; F182-W234 AromaticContact CD2-CZ3 3.8Å; F182-W234 HydrophobicContact CD2-CZ3 3.8Å; F182-W234 AromaticContact CE2-CH2 3.87Å; F182-W234 HydrophobicContact CE2-CH2 3.87Å; F182-W234 AromaticContact CE2-CZ3 3.97Å; F182-W234 HydrophobicContact CE2-CZ3 3.97Å
235	E	94.9	Very high	90.4	Very high	79 Å²	79	44.3 Å²	44.3	37%	0.369	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	135.4	174.9	-60	-179.9	160.6	0	0	110.8	I169 L170 Q171 Y172	I169-E235 HydrophobicContact CG2-CG 4.48Å; L170-E235 PolarHBondContact O-N 3.18Å; Q171-E235 VanDerWaalsContact CA-O 3.26Å; Q171-E235 WeakPolarHBondContact CA-O 3.43Å; Q171-E235 HydrophobicContact CG-CB 4.29Å; Q171-E235 PolarHBondContact NE2-OE2 2.94Å; Y172-E235 PolarHBondContact N-O 3.38Å; Y172-E235 VanDerWaalsContact N-O 3.1Å
236	P	94	Very high	89.6	Confident	98 Å²	98	45.1 Å²	45.1	64%	0.636	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	141.2	170.2	30.3	-33.3	0	0	0	110.5	Y172	Y172-P236 HydrophobicContact CE2-CB 4.07Å
237	S	91.8	Very high	88.8	Confident	17 Å²	17	46.5 Å²	46.5	12%	0.119	25%	0.252	C	S	.	.			trans	-136	139.2	179.5	-178.3	0	0	0	0	112.1	Y172 H173 I239	Y172-S237 PolarHBondContact O-N 3.32Å; H173-S237 PolarHBondContact ND1-O 3.08Å; S237-I239 PolarHBondContact O-N 3.33Å; S237-I239 WeakPolarHBondContact OG-CG1 3.47Å; S237-I239 PolarHBondContact OG-N 3.09Å
238	D	88.9	Confident	87.9	Confident	159 Å²	159	46 Å²	46	85%	0.85	25%	0.249	S	C	*	.			trans	-78.6	-3	176.9	-61.7	-37.2	0	0	0	112.9	K240	D238-K240 PolarHBondContact O-N 3.18Å
239	I	88.1	Confident	86.6	Confident	44 Å²	44	47.4 Å²	47.4	23%	0.226	26%	0.257	C	S	.	.			trans	-71.3	121.6	-178.6	-60.9	171.8	0	0	0	109.3	H173 S237 S243 I247	H173-I239 WeakPolarHBondContact CB-O 3.33Å; S237-I239 PolarHBondContact O-N 3.33Å; S237-I239 WeakPolarHBondContact OG-CG1 3.47Å; S237-I239 PolarHBondContact OG-N 3.09Å; I239-S243 WeakPolarHBondContact CG2-OG 3.32Å; I239-I247 HydrophobicContact CD1-CD1 3.65Å; I239-I247 HydrophobicContact CD1-CG1 3.88Å
240	K	87.6	Confident	84.9	Confident	149 Å²	149	55.5 Å²	55.5	65%	0.648	29%	0.292	S	S	*	.			trans	-64.7	147.3	173.5	-65.4	-176	178.6	-177.2	0	110.3	D238 A242 S243 R244	D238-K240 PolarHBondContact O-N 3.18Å; K240-A242 PolarHBondContact O-N 3.28Å; K240-A242 VanDerWaalsContact O-N 3.14Å; K240-S243 PolarHBondContact N-OG 2.79Å; K240-S243 PolarHBondContact O-N 3.35Å; K240-S243 PolarHBondContact O-OG 3.31Å; K240-R244 PolarHBondContact O-N 2.6Å
241	W	85.5	Confident	82.9	Confident	29 Å²	29	57.5 Å²	57.5	11%	0.11	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-53.1	-38.5	179.5	-179.2	93.5	0	0	0	113.4	G23 V24 P26 R181 V183 S243 R244	G23-W241 WeakPolarHBondContact O-CH2 3.25Å; V24-W241 VanDerWaalsContact O-CZ3 3.3Å; V24-W241 WeakPolarHBondContact O-CZ3 3.36Å; P26-W241 HydrophobicContact CB-CB 4.48Å; P26-W241 HydrophobicContact CB-CD2 3.67Å; P26-W241 HydrophobicContact CB-CE3 4.07Å; P26-W241 HydrophobicContact CB-CG 3.85Å; P26-W241 HydrophobicContact CB-CZ2 4.38Å; R181-W241 HydrophobicContact CB-CB 4.4Å; V183-W241 HydrophobicContact CG1-CB 4.36Å; W241-S243 PolarHBondContact O-N 2.87Å; W241-R244 WeakPolarHBondContact O-CB 3.19Å; W241-R244 WeakPolarHBondContact O-CD 3.48Å; W241-R244 WeakPolarHBondContact O-CG 3.48Å; W241-R244 PolarHBondContact O-N 3.48Å
242	A	82.3	Confident	80.9	Confident	80 Å²	80	58.5 Å²	58.5	66%	0.661	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-63	-27.4	178.2	0	0	0	0	0	113.8	K240	K240-A242 PolarHBondContact O-N 3.28Å; K240-A242 VanDerWaalsContact O-N 3.14Å
243	S	83.1	Confident	79.1	Confident	35 Å²	35	59.6 Å²	59.6	25%	0.245	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-99.5	8.6	179.7	48.5	0	0	0	0	113.7	I239 K240 W241 W245 D246	I239-S243 WeakPolarHBondContact CG2-OG 3.32Å; K240-S243 PolarHBondContact N-OG 2.79Å; K240-S243 PolarHBondContact O-N 3.35Å; K240-S243 PolarHBondContact O-OG 3.31Å; W241-S243 PolarHBondContact O-N 2.87Å; S243-W245 PolarHBondContact O-N 3.23Å; S243-W245 VanDerWaalsContact O-N 3.13Å; S243-D246 WeakPolarHBondContact CB-OD2 3.34Å; S243-D246 VanDerWaalsContact O-CB 3.31Å; S243-D246 WeakPolarHBondContact O-CB 3.49Å; S243-D246 PolarHBondContact O-N 2.91Å
244	R	86.4	Confident	77.6	Confident	7 Å²	7	59.5 Å²	59.5	3%	0.026	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-60.9	-25.7	-174.6	71.3	-173.6	179.6	159.4	2.6	114.4	D128 L130 F182 V183 K240 W241 D246	D128-R244 PolarHBondContact O-NH2 3.07Å; D128-R244 IonicContact OD2-CZ 3.75Å; D128-R244 IonicContact OD2-NH1 2.87Å; D128-R244 PolarHBondContact OD2-NH1 3.19Å; D128-R244 IonicContact OD2-NH2 3.55Å; L130-R244 HydrophobicContact CD1-CG 3.99Å; F182-R244 PolarHBondContact O-NH1 2.89Å; F182-R244 VanDerWaalsContact O-NH1 3.08Å; V183-R244 HydrophobicContact CB-CB 4.11Å; V183-R244 HydrophobicContact CG1-CB 4.48Å; V183-R244 WeakPolarHBondContact O-CB 3.32Å; K240-R244 PolarHBondContact O-N 2.6Å; W241-R244 WeakPolarHBondContact O-CB 3.19Å; W241-R244 WeakPolarHBondContact O-CD 3.48Å; W241-R244 WeakPolarHBondContact O-CG 3.48Å; W241-R244 PolarHBondContact O-N 3.48Å; R244-D246 VanDerWaalsContact C-N 3.34Å
245	W	80.9	Confident	76.5	Confident	17 Å²	17	66.4 Å²	66.4	6%	0.064	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-78.1	-16.6	177.5	-76.5	79.9	0	0	0	113.5	N129 L130 P131 S243 I247 Y248 L249 P350 A351 F508 Y510	N129-W245 WeakPolarHBondContact O-CZ2 3.31Å; L130-W245 HydrophobicContact CD1-CD2 4.14Å; L130-W245 HydrophobicContact CD1-CG 4.28Å; L130-W245 HydrophobicContact CD1-CZ2 4.23Å; P131-W245 HydrophobicContact CG-CH2 3.62Å; P131-W245 HydrophobicContact CG-CZ2 4.38Å; P131-W245 HydrophobicContact CG-CZ3 3.8Å; S243-W245 PolarHBondContact O-N 3.23Å; S243-W245 VanDerWaalsContact O-N 3.13Å; W245-I247 PolarHBondContact O-N 2.93Å; W245-I247 VanDerWaalsContact O-N 3.12Å; W245-Y248 HydrophobicContact CE3-CD2 4.32Å; W245-Y248 PolarHBondContact O-N 2.79Å; W245-L249 WeakPolarHBondContact O-CG 3.47Å; W245-P350 HydrophobicContact CH2-CB 4.48Å; W245-P350 HydrophobicContact CZ3-CB 4.34Å; W245-A351 VanDerWaalsContact CZ2-CA 3.49Å; W245-A351 HydrophobicContact CZ2-CB 3.85Å; W245-F508 HydrophobicContact CH2-CE1 4.4Å; W245-F508 AromaticContact CZ3-CD1 3.93Å; W245-F508 HydrophobicContact CZ3-CD1 3.93Å; W245-F508 AromaticContact CZ3-CE1 3.77Å; W245-F508 HydrophobicContact CZ3-CE1 3.77Å; W245-F508 HydrophobicContact CZ3-CZ 4.21Å; W245-Y510 HydrophobicContact CB-CE2 4.36Å
246	D	74.8	Confident	75.5	Confident	65 Å²	65	66.8 Å²	66.8	35%	0.348	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-64.4	-21.9	-173.9	-68.4	-11.1	0	0	0	113.2	S243 R244 Y248 L249 K250	S243-D246 WeakPolarHBondContact CB-OD2 3.34Å; S243-D246 VanDerWaalsContact O-CB 3.31Å; S243-D246 WeakPolarHBondContact O-CB 3.49Å; S243-D246 PolarHBondContact O-N 2.91Å; R244-D246 VanDerWaalsContact C-N 3.34Å; D246-Y248 VanDerWaalsContact C-N 3.34Å; D246-Y248 PolarHBondContact O-N 3.48Å; D246-L249 CarbonylContact O-C 3.54Å; D246-L249 WeakPolarHBondContact O-CA 3.48Å; D246-L249 WeakPolarHBondContact O-CB 3.32Å; D246-L249 PolarHBondContact O-N 2.94Å; D246-K250 PolarHBondContact O-N 3.23Å
247	I	73.6	Confident	74.6	Confident	30 Å²	30	62.4 Å²	62.4	15%	0.154	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-62.8	-41	178.1	-58.2	171.4	0	0	0	111.1	Y146 I239 W245 L249	Y146-I247 HydrophobicContact CD2-CG2 3.79Å; Y146-I247 HydrophobicContact CE1-CG2 4.42Å; Y146-I247 HydrophobicContact CE2-CG2 3.31Å; I239-I247 HydrophobicContact CD1-CD1 3.65Å; I239-I247 HydrophobicContact CD1-CG1 3.88Å; W245-I247 PolarHBondContact O-N 2.93Å; W245-I247 VanDerWaalsContact O-N 3.12Å; I247-L249 PolarHBondContact O-N 3.36Å
248	Y	72.5	Confident	74	Confident	21 Å²	21	69 Å²	69	8%	0.082	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-67.7	-15.4	174.6	-57.3	-73.9	0	0	0	112.3	L130 P131 F185 W245 D246 F508	L130-Y248 HydrophobicContact CD1-CE2 4.05Å; L130-Y248 HydrophobicContact CG-CE2 4.42Å; P131-Y248 PolarHBondContact O-OH 3.11Å; F185-Y248 PolarHBondContact O-OH 3.39Å; W245-Y248 HydrophobicContact CE3-CD2 4.32Å; W245-Y248 PolarHBondContact O-N 2.79Å; D246-Y248 VanDerWaalsContact C-N 3.34Å; D246-Y248 PolarHBondContact O-N 3.48Å; Y248-F508 HydrophobicContact CD1-CD2 4.38Å; Y248-F508 HydrophobicContact CD1-CE2 4Å; Y248-F508 HydrophobicContact CG-CD2 4.17Å; Y248-F508 HydrophobicContact CG-CE2 4.11Å
249	L	63.6	Low	73.5	Confident	39 Å²	39	67.5 Å²	67.5	20%	0.204	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-22	-172	-51.6	178.4	0	0	0	113.9	W245 D246 I247 T251 Y510	W245-L249 WeakPolarHBondContact O-CG 3.47Å; D246-L249 CarbonylContact O-C 3.54Å; D246-L249 WeakPolarHBondContact O-CA 3.48Å; D246-L249 WeakPolarHBondContact O-CB 3.32Å; D246-L249 PolarHBondContact O-N 2.94Å; I247-L249 PolarHBondContact O-N 3.36Å; L249-T251 PolarHBondContact O-N 2.68Å; L249-Y510 HydrophobicContact CD1-CD1 3.16Å; L249-Y510 HydrophobicContact CD1-CD2 4.38Å; L249-Y510 HydrophobicContact CD1-CE1 3.74Å; L249-Y510 HydrophobicContact CD1-CG 3.53Å; L249-Y510 VanDerWaalsContact CD2-CB 3.44Å; L249-Y510 HydrophobicContact CD2-CD1 4.47Å; L249-Y510 HydrophobicContact CD2-CG 4.09Å; L249-Y510 HydrophobicContact CG-CD1 4.43Å; L249-Y510 HydrophobicContact CG-CG 4.44Å
250	K	57.9	Low	73	Confident	172 Å²	172	65.4 Å²	65.4	75%	0.748	34%	0.342	S	S	*	.			trans	-64.3	7.1	-179.4	-80.5	-176.7	-179.9	178.8	0	115.4	D246	D246-K250 PolarHBondContact O-N 3.23Å
251	T	52.8	Low	72.7	Confident	53 Å²	53	59.3 Å²	59.3	33%	0.325	32%	0.316	S	S	.	.	S	Bend	trans	-63.7	153	166	-54.6	0	0	0	0	108.7	R145 L249 S253	R145-T251 HydrophobicContact CG-CG2 4.4Å; L249-T251 PolarHBondContact O-N 2.68Å; T251-S253 PolarHBondContact O-N 3.2Å; T251-S253 PolarHBondContact O-OG 3.48Å
252	A	50.8	Low	72.6	Confident	80 Å²	80	63 Å²	63	66%	0.661	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	22.3	-174.9	0	0	0	0	0	116.7
253	S	59	Low	72.5	Confident	26 Å²	26	62.2 Å²	62.2	18%	0.182	32%	0.322	C	S	.	.	H	α-helix	trans	-71.5	-31.7	-179.8	54.3	0	0	0	0	113.6	T251 Q255 L256 H257	T251-S253 PolarHBondContact O-N 3.2Å; T251-S253 PolarHBondContact O-OG 3.48Å; S253-Q255 VanDerWaalsContact C-N 3.27Å; S253-Q255 PolarHBondContact O-N 3.47Å; S253-L256 WeakPolarHBondContact O-CB 3.5Å; S253-L256 PolarHBondContact O-N 2.89Å; S253-H257 PolarHBondContact O-CD2 2.75Å; S253-H257 PolarHBondContact O-N 3.44Å; S253-H257 VanDerWaalsContact O-N 3.08Å
254	G	65.7	Low	72.5	Confident	32 Å²	32	60.5 Å²	60.5	33%	0.33	31%	0.31	S	S	.	.	H	α-helix	trans	-55.1	-40.8	-176.2	0	0	0	0	0	113.5	L256 H257 W258	G254-L256 PolarHBondContact O-N 2.97Å; G254-H257 PolarHBondContact O-N 2.67Å; G254-W258 VanDerWaalsContact O-CD1 3.23Å; G254-W258 PolarHBondContact O-N 3.17Å
255	Q	72.4	Confident	72.5	Confident	162 Å²	162	63 Å²	63	76%	0.757	33%	0.326	S	S	*	.	H	α-helix	trans	-65.4	-38.1	176.9	-66.8	-179.1	3.3	0	0	112.4	S253 W258 F259	S253-Q255 VanDerWaalsContact C-N 3.27Å; S253-Q255 PolarHBondContact O-N 3.47Å; Q255-W258 PolarHBondContact O-N 3.32Å; Q255-F259 WeakPolarHBondContact O-CB 3.35Å; Q255-F259 PolarHBondContact O-N 2.93Å
256	L	74	Confident	72.7	Confident	87 Å²	87	66.2 Å²	66.2	46%	0.455	35%	0.347	S	S	.	.	H	α-helix	trans	-67	-37.9	178.3	-68.6	168.4	0	0	0	111.8	S253 G254 F259 S260 F498	S253-L256 WeakPolarHBondContact O-CB 3.5Å; S253-L256 PolarHBondContact O-N 2.89Å; G254-L256 PolarHBondContact O-N 2.97Å; L256-F259 PolarHBondContact O-N 3.13Å; L256-S260 PolarHBondContact O-N 3.08Å; L256-F498 HydrophobicContact CB-CE2 4.13Å; L256-F498 HydrophobicContact CB-CZ 3.79Å; L256-F498 HydrophobicContact CD1-CZ 3.99Å
257	H	74.9	Confident	73	Confident	6 Å²	6	64.4 Å²	64.4	3%	0.028	34%	0.337	C	S	.	.	H	α-helix	trans	-67.6	-43.5	175.9	-70.1	-76	0	0	0	112.3	S253 G254 F259 S260 I261 E495 F498 L511 F514	S253-H257 PolarHBondContact O-CD2 2.75Å; S253-H257 PolarHBondContact O-N 3.44Å; S253-H257 VanDerWaalsContact O-N 3.08Å; G254-H257 PolarHBondContact O-N 2.67Å; H257-F259 VanDerWaalsContact C-N 3.31Å; H257-F259 PolarHBondContact O-N 2.97Å; H257-S260 VanDerWaalsContact O-CB 3.26Å; H257-S260 WeakPolarHBondContact O-CB 3.15Å; H257-S260 PolarHBondContact O-N 2.89Å; H257-S260 VanDerWaalsContact O-N 3.12Å; H257-I261 PolarHBondContact O-N 2.75Å; H257-E495 IonicContact CE1-OE1 2.71Å; H257-E495 IonicContact CE1-OE2 2.89Å; H257-E495 IonicContact CG-OE1 3.62Å; H257-E495 IonicContact ND1-OE1 2.69Å; H257-E495 PolarHBondContact ND1-OE1 3.05Å; H257-E495 IonicContact ND1-OE2 3.48Å; H257-F498 AromaticContact CE1-CD2 3.24Å; H257-F498 WeakPolarHBondContact CE1-CD2 3.43Å; H257-F498 AromaticContact CE1-CE2 3.44Å; H257-F498 VanDerWaalsContact CE1-CE2 3.44Å; H257-F498 WeakPolarHBondContact CE1-CE2 3.46Å; H257-F498 AromaticContact CE1-CG 3.6Å; H257-F498 AromaticContact CE1-CZ 3.95Å; H257-F498 AromaticContact ND1-CD2 3.79Å; H257-F498 AromaticContact ND1-CE2 3.78Å; H257-F498 AromaticContact NE2-CD2 3.82Å; H257-F498 AromaticContact NE2-CE1 3.87Å; H257-F498 AromaticContact NE2-CE2 3.65Å; H257-F498 AromaticContact NE2-CZ 3.68Å; H257-L511 WeakPolarHBondContact CD2-CD1 3.45Å; H257-L511 WeakPolarHBondContact NE2-CD1 3.36Å; H257-F514 HydrophobicContact CB-CD2 3.43Å; H257-F514 VanDerWaalsContact CB-CD2 3.43Å; H257-F514 HydrophobicContact CB-CE2 3.55Å; H257-F514 HydrophobicContact CB-CG 4.19Å; H257-F514 HydrophobicContact CB-CZ 4.32Å; H257-F514 AromaticContact CG-CD2 3.73Å
258	W	80	Confident	73.5	Confident	155 Å²	155	63.8 Å²	63.8	59%	0.587	34%	0.335	S	S	*	.	H	α-helix	trans	-62	-40.1	174.4	-80.7	109.4	0	0	0	112.1	G254 Q255 S260 I261 I262 F514	G254-W258 VanDerWaalsContact O-CD1 3.23Å; G254-W258 PolarHBondContact O-N 3.17Å; Q255-W258 PolarHBondContact O-N 3.32Å; W258-S260 VanDerWaalsContact C-N 3.31Å; W258-S260 PolarHBondContact O-N 3.16Å; W258-I261 PolarHBondContact O-N 3.27Å; W258-I262 VanDerWaalsContact O-CG1 3.32Å; W258-I262 WeakPolarHBondContact O-CG1 3.5Å; W258-I262 PolarHBondContact O-N 3.33Å; W258-F514 HydrophobicContact CD2-CE1 4.49Å; W258-F514 HydrophobicContact CZ2-CE1 4.21Å; W258-F514 HydrophobicContact CZ2-CZ 4.38Å; W258-F514 AromaticContact NE1-CZ 3.87Å
259	F	78.4	Confident	74.2	Confident	128 Å²	128	67.7 Å²	67.7	56%	0.561	36%	0.356	S	S	*	.	H	α-helix	trans	-59.8	-41.1	172.8	-178.9	-97.2	0	0	0	112	Q255 L256 H257 I262 N263 I494	Q255-F259 WeakPolarHBondContact O-CB 3.35Å; Q255-F259 PolarHBondContact O-N 2.93Å; L256-F259 PolarHBondContact O-N 3.13Å; H257-F259 VanDerWaalsContact C-N 3.31Å; H257-F259 PolarHBondContact O-N 2.97Å; F259-I262 PolarHBondContact O-N 3.34Å; F259-N263 WeakPolarHBondContact O-CB 3.45Å; F259-N263 PolarHBondContact O-N 3.29Å; F259-I494 HydrophobicContact CD1-CD1 3.63Å; F259-I494 HydrophobicContact CE1-CD1 4.06Å
260	S	76.2	Confident	75.2	Confident	1 Å²	1	71.8 Å²	71.8	1%	0.007	37%	0.373	C	S	.	.	H	α-helix	trans	-56.8	-51.6	173.2	-170.7	0	0	0	0	111.8	L256 H257 W258 I262 N263 S264 I494	L256-S260 PolarHBondContact O-N 3.08Å; H257-S260 VanDerWaalsContact O-CB 3.26Å; H257-S260 WeakPolarHBondContact O-CB 3.15Å; H257-S260 PolarHBondContact O-N 2.89Å; H257-S260 VanDerWaalsContact O-N 3.12Å; W258-S260 VanDerWaalsContact C-N 3.31Å; W258-S260 PolarHBondContact O-N 3.16Å; S260-I262 VanDerWaalsContact C-N 3.32Å; S260-I262 PolarHBondContact O-N 2.81Å; S260-N263 PolarHBondContact O-N 2.96Å; S260-S264 WeakPolarHBondContact O-CB 3.46Å; S260-S264 PolarHBondContact O-N 3Å; S260-S264 PolarHBondContact O-OG 3.39Å; S260-I494 WeakPolarHBondContact OG-CB 3.38Å
261	I	81.3	Confident	76.3	Confident	21 Å²	21	64.3 Å²	64.3	11%	0.108	34%	0.341	C	S	.	.	H	α-helix	trans	-62.1	-43.9	-176.1	-69.6	175.6	0	0	0	110.6	H257 W258 N263 S264 V265 F514 V517 V518	H257-I261 PolarHBondContact O-N 2.75Å; W258-I261 PolarHBondContact O-N 3.27Å; I261-N263 PolarHBondContact O-N 3.3Å; I261-S264 PolarHBondContact O-N 3.35Å; I261-V265 HydrophobicContact CG2-CG2 4.21Å; I261-V265 WeakPolarHBondContact O-CB 3.43Å; I261-V265 WeakPolarHBondContact O-CG2 3.31Å; I261-V265 PolarHBondContact O-N 2.85Å; I261-F514 HydrophobicContact CD1-CB 4.17Å; I261-F514 HydrophobicContact CD1-CD1 3.15Å; I261-F514 HydrophobicContact CD1-CE1 3.69Å; I261-F514 HydrophobicContact CD1-CG 3.91Å; I261-F514 HydrophobicContact CG1-CD1 4.48Å; I261-V517 HydrophobicContact CG2-CG1 4.49Å; I261-V518 HydrophobicContact CG1-CG2 4.38Å
262	I	85.1	Confident	77.8	Confident	105 Å²	105	64.3 Å²	64.3	54%	0.538	34%	0.341	S	S	.	.	H	α-helix	trans	-60.3	-49	178	-66.7	166.4	0	0	0	110.3	W258 F259 S260 S264 V265 V266	W258-I262 VanDerWaalsContact O-CG1 3.32Å; W258-I262 WeakPolarHBondContact O-CG1 3.5Å; W258-I262 PolarHBondContact O-N 3.33Å; F259-I262 PolarHBondContact O-N 3.34Å; S260-I262 VanDerWaalsContact C-N 3.32Å; S260-I262 PolarHBondContact O-N 2.81Å; I262-S264 PolarHBondContact O-N 3.13Å; I262-V265 PolarHBondContact O-N 2.76Å; I262-V266 VanDerWaalsContact O-CG2 3.28Å; I262-V266 WeakPolarHBondContact O-CG2 3.29Å; I262-V266 PolarHBondContact O-N 3.46Å
263	N	79.6	Confident	79.4	Confident	64 Å²	64	64 Å²	64	34%	0.342	33%	0.334	S	S	.	.	H	α-helix	trans	-61	-43.9	178.8	-176.5	52.6	0	0	0	112.1	F259 S260 I261 V266 I267	F259-N263 WeakPolarHBondContact O-CB 3.45Å; F259-N263 PolarHBondContact O-N 3.29Å; S260-N263 PolarHBondContact O-N 2.96Å; I261-N263 PolarHBondContact O-N 3.3Å; N263-V266 PolarHBondContact O-N 3.5Å; N263-I267 WeakPolarHBondContact O-CG1 3.12Å; N263-I267 PolarHBondContact O-N 3.19Å
264	S	82.9	Confident	80.4	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-67.5	-37.7	179.6	-54	0	0	0	0	112.2	S260 I261 I262 I267 V268 A491	S260-S264 WeakPolarHBondContact O-CB 3.46Å; S260-S264 PolarHBondContact O-N 3Å; S260-S264 PolarHBondContact O-OG 3.39Å; I261-S264 PolarHBondContact O-N 3.35Å; I262-S264 PolarHBondContact O-N 3.13Å; S264-I267 PolarHBondContact O-N 2.8Å; S264-V268 WeakPolarHBondContact O-CG2 3.3Å; S264-V268 PolarHBondContact O-N 3.05Å; S264-A491 WeakPolarHBondContact CB-O 3.47Å; S264-A491 PolarHBondContact OG-O 2.81Å
265	V	85.3	Confident	80.9	Confident	60 Å²	60	64.9 Å²	64.9	36%	0.364	33%	0.33	S	S	.	.	H	α-helix	trans	-65	-41.6	173.3	169.6	0	0	0	0	110.8	I261 I262 I267 V268 L269 I521	I261-V265 HydrophobicContact CG2-CG2 4.21Å; I261-V265 WeakPolarHBondContact O-CB 3.43Å; I261-V265 WeakPolarHBondContact O-CG2 3.31Å; I261-V265 PolarHBondContact O-N 2.85Å; I262-V265 PolarHBondContact O-N 2.76Å; V265-I267 VanDerWaalsContact C-N 3.32Å; V265-I267 PolarHBondContact O-N 3.34Å; V265-V268 PolarHBondContact O-N 3.44Å; V265-L269 HydrophobicContact CG1-CD1 3.98Å; V265-L269 HydrophobicContact CG1-CG 4.25Å; V265-L269 WeakPolarHBondContact O-CG 3.44Å; V265-L269 PolarHBondContact O-N 3.03Å; V265-I521 HydrophobicContact CG2-CD1 3.99Å
266	V	85.9	Confident	81.2	Confident	84 Å²	84	59.1 Å²	59.1	51%	0.509	31%	0.311	S	S	.	.	H	α-helix	trans	-59.9	-42.6	175	170.1	0	0	0	0	111.1	I262 N263 V268 L269 F270	I262-V266 VanDerWaalsContact O-CG2 3.28Å; I262-V266 WeakPolarHBondContact O-CG2 3.29Å; I262-V266 PolarHBondContact O-N 3.46Å; N263-V266 PolarHBondContact O-N 3.5Å; V266-V268 PolarHBondContact O-N 3.41Å; V266-L269 PolarHBondContact O-N 3.38Å; V266-F270 WeakPolarHBondContact O-CB 3.38Å; V266-F270 PolarHBondContact O-N 3.47Å
267	I	81.2	Confident	81.6	Confident	26 Å²	26	61 Å²	61	13%	0.133	32%	0.319	C	S	.	.	H	α-helix	trans	-60.1	-45.8	175.1	-67.2	166	0	0	0	110.8	N263 S264 V265 F270 L271 L487 A491	N263-I267 WeakPolarHBondContact O-CG1 3.12Å; N263-I267 PolarHBondContact O-N 3.19Å; S264-I267 PolarHBondContact O-N 2.8Å; V265-I267 VanDerWaalsContact C-N 3.32Å; V265-I267 PolarHBondContact O-N 3.34Å; I267-F270 PolarHBondContact O-N 3.27Å; I267-L271 HydrophobicContact CG2-CD1 3.97Å; I267-L271 VanDerWaalsContact O-CG 3.31Å; I267-L271 WeakPolarHBondContact O-CG 3.34Å; I267-L271 PolarHBondContact O-N 3.03Å; I267-L487 HydrophobicContact CG2-CD2 4.35Å; I267-A491 HydrophobicContact CD1-CB 4.33Å
268	V	83.6	Confident	81.6	Confident	18 Å²	18	62.2 Å²	62.2	11%	0.109	33%	0.325	C	S	.	.	H	α-helix	trans	-61.7	-47.8	177.4	172.9	0	0	0	0	111.3	S264 V265 V266 F270 L271 T272 I521 I524 C525	S264-V268 WeakPolarHBondContact O-CG2 3.3Å; S264-V268 PolarHBondContact O-N 3.05Å; V265-V268 PolarHBondContact O-N 3.44Å; V266-V268 PolarHBondContact O-N 3.41Å; V268-F270 VanDerWaalsContact C-N 3.28Å; V268-F270 PolarHBondContact O-N 2.97Å; V268-L271 PolarHBondContact O-N 3.41Å; V268-L271 VanDerWaalsContact O-N 3.14Å; V268-T272 HydrophobicContact CG1-CG2 4.17Å; V268-T272 WeakPolarHBondContact O-CG2 3.38Å; V268-T272 PolarHBondContact O-N 3.21Å; V268-T272 PolarHBondContact O-OG1 3.12Å; V268-I521 HydrophobicContact CG2-CB 4.3Å; V268-I521 HydrophobicContact CG2-CG1 4.39Å; V268-I521 HydrophobicContact CG2-CG2 3.45Å; V268-I521 VanDerWaalsContact CG2-CG2 3.45Å; V268-I524 HydrophobicContact CG1-CG2 3.81Å; V268-C525 VanDerWaalsContact CG2-SG 3.51Å
269	L	88.2	Confident	81.2	Confident	102 Å²	102	57.1 Å²	57.1	53%	0.534	31%	0.309	S	S	.	.	H	α-helix	trans	-62.6	-35.9	179.8	-70.9	176.2	0	0	0	112.3	V265 V266 T272 S273	V265-L269 HydrophobicContact CG1-CD1 3.98Å; V265-L269 HydrophobicContact CG1-CG 4.25Å; V265-L269 WeakPolarHBondContact O-CG 3.44Å; V265-L269 PolarHBondContact O-N 3.03Å; V266-L269 PolarHBondContact O-N 3.38Å; L269-T272 WeakPolarHBondContact CA-OG1 3.18Å; L269-T272 PolarHBondContact O-OG1 2.85Å; L269-S273 WeakPolarHBondContact O-CB 3.31Å; L269-S273 PolarHBondContact O-N 3.41Å; L269-S273 VanDerWaalsContact O-N 3.14Å; L269-S273 PolarHBondContact O-OG 2.98Å
270	F	84.2	Confident	81.1	Confident	126 Å²	126	55 Å²	55	55%	0.553	30%	0.303	S	S	*	.	H	α-helix	trans	-64.6	-45.9	173	175.9	-104.1	0	0	0	111.3	V266 I267 V268 S273 V274	V266-F270 WeakPolarHBondContact O-CB 3.38Å; V266-F270 PolarHBondContact O-N 3.47Å; I267-F270 PolarHBondContact O-N 3.27Å; V268-F270 VanDerWaalsContact C-N 3.28Å; V268-F270 PolarHBondContact O-N 2.97Å; F270-S273 WeakPolarHBondContact O-CB 3.13Å; F270-S273 PolarHBondContact O-N 3.17Å; F270-V274 HydrophobicContact CE1-CG2 4.21Å; F270-V274 HydrophobicContact CE2-CG2 4.34Å; F270-V274 HydrophobicContact CZ-CG2 4.06Å; F270-V274 WeakPolarHBondContact O-CG2 3.27Å; F270-V274 PolarHBondContact O-N 3.16Å
271	L	80.7	Confident	81.2	Confident	14 Å²	14	63.8 Å²	63.8	7%	0.073	34%	0.336	C	S	.	.	H	α-helix	trans	-70.6	-38.8	-179.2	-68.2	173.6	0	0	0	113.5	I267 V268 S273 V274 I275 L487 C525 V529	I267-L271 HydrophobicContact CG2-CD1 3.97Å; I267-L271 VanDerWaalsContact O-CG 3.31Å; I267-L271 WeakPolarHBondContact O-CG 3.34Å; I267-L271 PolarHBondContact O-N 3.03Å; V268-L271 PolarHBondContact O-N 3.41Å; V268-L271 VanDerWaalsContact O-N 3.14Å; L271-S273 VanDerWaalsContact C-N 3.27Å; L271-S273 PolarHBondContact O-N 3.2Å; L271-V274 PolarHBondContact O-N 3.23Å; L271-I275 WeakPolarHBondContact O-CG1 3.48Å; L271-I275 PolarHBondContact O-N 2.8Å; L271-L487 HydrophobicContact CD1-CB 4.31Å; L271-L487 HydrophobicContact CD1-CD1 4.42Å; L271-L487 HydrophobicContact CD2-CD1 3.58Å; L271-C525 HydrophobicContact CD1-CB 4.46Å; L271-V529 HydrophobicContact CD1-CG2 4.17Å
272	T	84.2	Confident	80.5	Confident	54 Å²	54	63.7 Å²	63.7	33%	0.331	34%	0.336	S	S	.	.	H	α-helix	trans	-58.4	-43.1	171.1	53.5	0	0	0	0	110.4	V268 L269 V274 I275 A276	V268-T272 HydrophobicContact CG1-CG2 4.17Å; V268-T272 WeakPolarHBondContact O-CG2 3.38Å; V268-T272 PolarHBondContact O-N 3.21Å; V268-T272 PolarHBondContact O-OG1 3.12Å; L269-T272 WeakPolarHBondContact CA-OG1 3.18Å; L269-T272 PolarHBondContact O-OG1 2.85Å; T272-V274 PolarHBondContact O-N 3.06Å; T272-I275 PolarHBondContact O-N 2.73Å; T272-A276 VanDerWaalsContact O-CB 3.26Å; T272-A276 WeakPolarHBondContact O-CB 3.41Å; T272-A276 PolarHBondContact O-N 3.28Å
273	S	84.2	Confident	79.7	Confident	74 Å²	74	60.6 Å²	60.6	52%	0.517	32%	0.321	S	S	.	.	H	α-helix	trans	-63.1	-42.5	178.7	-60.5	0	0	0	0	112.1	L269 F270 L271 A276 M277	L269-S273 WeakPolarHBondContact O-CB 3.31Å; L269-S273 PolarHBondContact O-N 3.41Å; L269-S273 VanDerWaalsContact O-N 3.14Å; L269-S273 PolarHBondContact O-OG 2.98Å; F270-S273 WeakPolarHBondContact O-CB 3.13Å; F270-S273 PolarHBondContact O-N 3.17Å; L271-S273 VanDerWaalsContact C-N 3.27Å; L271-S273 PolarHBondContact O-N 3.2Å; S273-A276 PolarHBondContact O-N 3.28Å; S273-M277 WeakPolarHBondContact O-CB 3.32Å; S273-M277 PolarHBondContact O-N 2.98Å
274	V	80.1	Confident	79.5	Confident	50 Å²	50	66 Å²	66	30%	0.303	34%	0.336	S	S	.	.	H	α-helix	trans	-64	-44.7	175.7	171.8	0	0	0	0	111.1	F270 L271 T272 M277 I278	F270-V274 HydrophobicContact CE1-CG2 4.21Å; F270-V274 HydrophobicContact CE2-CG2 4.34Å; F270-V274 HydrophobicContact CZ-CG2 4.06Å; F270-V274 WeakPolarHBondContact O-CG2 3.27Å; F270-V274 PolarHBondContact O-N 3.16Å; L271-V274 PolarHBondContact O-N 3.23Å; T272-V274 PolarHBondContact O-N 3.06Å; V274-M277 PolarHBondContact O-N 3.46Å; V274-I278 HydrophobicContact CG1-CD1 3.86Å; V274-I278 HydrophobicContact CG1-CG1 4.49Å; V274-I278 VanDerWaalsContact O-CG1 3.29Å; V274-I278 WeakPolarHBondContact O-CG1 3.09Å; V274-I278 PolarHBondContact O-N 3.09Å
275	I	75.9	Confident	79	Confident	25 Å²	25	73.5 Å²	73.5	13%	0.128	37%	0.369	C	S	.	.	H	α-helix	trans	-64.1	-46.2	177.5	-74.5	166.1	0	0	0	111.2	L271 T272 M277 I278 L279 Q528 V532	L271-I275 WeakPolarHBondContact O-CG1 3.48Å; L271-I275 PolarHBondContact O-N 2.8Å; T272-I275 PolarHBondContact O-N 2.73Å; I275-M277 VanDerWaalsContact C-N 3.28Å; I275-M277 PolarHBondContact O-N 3.48Å; I275-I278 PolarHBondContact O-N 3.4Å; I275-L279 HydrophobicContact CG2-CD1 3.65Å; I275-L279 HydrophobicContact CG2-CG 4.17Å; I275-L279 WeakPolarHBondContact O-CB 3.17Å; I275-L279 WeakPolarHBondContact O-CG 3.39Å; I275-L279 PolarHBondContact O-N 3.37Å; I275-Q528 VanDerWaalsContact CD1-CA 3.44Å; I275-Q528 HydrophobicContact CD1-CB 3.26Å; I275-Q528 HydrophobicContact CD1-CG 3.35Å; I275-V532 HydrophobicContact CD1-CG2 3.85Å; I275-V532 HydrophobicContact CG1-CG2 3.29Å
276	A	80.5	Confident	78.1	Confident	42 Å²	42	72.2 Å²	72.2	35%	0.347	36%	0.36	S	S	.	.	H	α-helix	trans	-58.5	-42.8	175.8	0	0	0	0	0	110.7	T272 S273 L279 I280	T272-A276 VanDerWaalsContact O-CB 3.26Å; T272-A276 WeakPolarHBondContact O-CB 3.41Å; T272-A276 PolarHBondContact O-N 3.28Å; S273-A276 PolarHBondContact O-N 3.28Å; A276-L279 PolarHBondContact O-N 3.27Å; A276-I280 VanDerWaalsContact O-CB 3.27Å; A276-I280 WeakPolarHBondContact O-CB 3.36Å; A276-I280 WeakPolarHBondContact O-CD1 3.44Å; A276-I280 WeakPolarHBondContact O-CG1 3.43Å; A276-I280 PolarHBondContact O-N 3.25Å
277	M	81.2	Confident	77.2	Confident	127 Å²	127	70.7 Å²	70.7	63%	0.626	35%	0.349	S	S	*	.	H	α-helix	trans	-62.4	-45.2	175.4	-171.2	-167.8	-169.6	0	0	112	S273 V274 I275 R281	S273-M277 WeakPolarHBondContact O-CB 3.32Å; S273-M277 PolarHBondContact O-N 2.98Å; V274-M277 PolarHBondContact O-N 3.46Å; I275-M277 VanDerWaalsContact C-N 3.28Å; I275-M277 PolarHBondContact O-N 3.48Å; M277-R281 WeakPolarHBondContact O-CB 3.28Å; M277-R281 PolarHBondContact O-N 2.8Å
278	I	75.1	Confident	76.8	Confident	30 Å²	30	71.8 Å²	71.8	15%	0.154	36%	0.361	C	S	.	.	H	α-helix	trans	-62	-50.3	177.1	-68.2	166.5	0	0	0	109.7	V274 I275 I280 R281 T282 V532 Y535 F536	V274-I278 HydrophobicContact CG1-CD1 3.86Å; V274-I278 HydrophobicContact CG1-CG1 4.49Å; V274-I278 VanDerWaalsContact O-CG1 3.29Å; V274-I278 WeakPolarHBondContact O-CG1 3.09Å; V274-I278 PolarHBondContact O-N 3.09Å; I275-I278 PolarHBondContact O-N 3.4Å; I278-I280 PolarHBondContact O-N 3.06Å; I278-R281 PolarHBondContact O-N 3.49Å; I278-T282 HydrophobicContact CG2-CG2 4.18Å; I278-T282 VanDerWaalsContact O-CB 3.27Å; I278-T282 WeakPolarHBondContact O-CB 3.29Å; I278-T282 WeakPolarHBondContact O-CG2 3.42Å; I278-T282 PolarHBondContact O-N 3.13Å; I278-T282 PolarHBondContact O-OG1 2.57Å; I278-V532 HydrophobicContact CD1-CG1 3.96Å; I278-V532 HydrophobicContact CD1-CG2 4.2Å; I278-Y535 HydrophobicContact CG2-CD1 3.75Å; I278-Y535 HydrophobicContact CG2-CE1 3.73Å; I278-Y535 HydrophobicContact CG2-CG 4.39Å; I278-F536 HydrophobicContact CD1-CE2 4.05Å; I278-F536 HydrophobicContact CD1-CZ 3.98Å
279	L	72.3	Confident	76	Confident	48 Å²	48	74.1 Å²	74.1	25%	0.251	37%	0.37	S	S	.	.	H	α-helix	trans	-60.5	-46.8	179.2	-71.5	172.6	0	0	0	111.7	I275 A276 T282 L283 F609	I275-L279 HydrophobicContact CG2-CD1 3.65Å; I275-L279 HydrophobicContact CG2-CG 4.17Å; I275-L279 WeakPolarHBondContact O-CB 3.17Å; I275-L279 WeakPolarHBondContact O-CG 3.39Å; I275-L279 PolarHBondContact O-N 3.37Å; A276-L279 PolarHBondContact O-N 3.27Å; L279-T282 WeakPolarHBondContact CA-OG1 3.42Å; L279-T282 PolarHBondContact O-N 2.98Å; L279-T282 PolarHBondContact O-OG1 3.31Å; L279-L283 WeakPolarHBondContact O-CB 3.5Å; L279-L283 PolarHBondContact O-N 3.08Å; L279-F609 HydrophobicContact CD2-CE2 4.09Å; L279-F609 HydrophobicContact CD2-CZ 4.33Å
280	I	75.9	Confident	74.7	Confident	85 Å²	85	73 Å²	73	44%	0.436	36%	0.359	S	S	.	.	H	α-helix	trans	-65.2	-45.3	178.7	-68.7	165.7	0	0	0	110.8	A276 I278 T282 R284	A276-I280 VanDerWaalsContact O-CB 3.27Å; A276-I280 WeakPolarHBondContact O-CB 3.36Å; A276-I280 WeakPolarHBondContact O-CD1 3.44Å; A276-I280 WeakPolarHBondContact O-CG1 3.43Å; A276-I280 PolarHBondContact O-N 3.25Å; I278-I280 PolarHBondContact O-N 3.06Å; I280-T282 VanDerWaalsContact C-N 3.32Å; I280-T282 PolarHBondContact O-N 2.94Å; I280-R284 HydrophobicContact CG2-CG 4.28Å; I280-R284 VanDerWaalsContact O-CB 3.26Å; I280-R284 WeakPolarHBondContact O-CB 3.48Å; I280-R284 VanDerWaalsContact O-CG 3.25Å; I280-R284 WeakPolarHBondContact O-CG 3.29Å; I280-R284 PolarHBondContact O-N 2.95Å
281	R	76.9	Confident	74	Confident	184 Å²	184	72.5 Å²	72.5	69%	0.694	36%	0.362	S	S	*	.	H	α-helix	trans	-63.5	-40.8	-179.4	-177	177.7	179.2	174.5	0.8	111.4	M277 I278 K285	M277-R281 WeakPolarHBondContact O-CB 3.28Å; M277-R281 PolarHBondContact O-N 2.8Å; I278-R281 PolarHBondContact O-N 3.49Å; R281-K285 WeakPolarHBondContact O-CB 3.46Å; R281-K285 PolarHBondContact O-N 2.87Å
282	T	67.7	Low	73.3	Confident	19 Å²	19	81 Å²	81	12%	0.117	39%	0.393	C	S	.	.	H	α-helix	trans	-72.6	-46.9	-179.1	53.5	0	0	0	0	110.8	I278 L279 I280 R284 K285 D286 Y535	I278-T282 HydrophobicContact CG2-CG2 4.18Å; I278-T282 VanDerWaalsContact O-CB 3.27Å; I278-T282 WeakPolarHBondContact O-CB 3.29Å; I278-T282 WeakPolarHBondContact O-CG2 3.42Å; I278-T282 PolarHBondContact O-N 3.13Å; I278-T282 PolarHBondContact O-OG1 2.57Å; L279-T282 WeakPolarHBondContact CA-OG1 3.42Å; L279-T282 PolarHBondContact O-N 2.98Å; L279-T282 PolarHBondContact O-OG1 3.31Å; I280-T282 VanDerWaalsContact C-N 3.32Å; I280-T282 PolarHBondContact O-N 2.94Å; T282-R284 PolarHBondContact O-N 2.75Å; T282-K285 PolarHBondContact O-N 3.35Å; T282-D286 WeakPolarHBondContact O-CB 3.31Å; T282-D286 PolarHBondContact O-N 2.98Å; T282-Y535 HydrophobicContact CG2-CE1 4.03Å; T282-Y535 HydrophobicContact CG2-CE2 4.2Å; T282-Y535 VanDerWaalsContact CG2-CZ 3.46Å; T282-Y535 WeakPolarHBondContact CG2-OH 3.23Å
283	L	67.9	Low	71.9	Confident	41 Å²	41	81.2 Å²	81.2	22%	0.215	40%	0.397	C	S	.	.	H	α-helix	trans	-57.7	-45.4	173.5	-166.5	75.4	0	0	0	111.6	L279 D286 I287 Y623 I626	L279-L283 WeakPolarHBondContact O-CB 3.5Å; L279-L283 PolarHBondContact O-N 3.08Å; L283-D286 PolarHBondContact O-N 2.83Å; L283-I287 HydrophobicContact CD2-CD1 4.45Å; L283-I287 HydrophobicContact CG-CD1 4.02Å; L283-I287 WeakPolarHBondContact O-CB 3.43Å; L283-I287 WeakPolarHBondContact O-CD1 3.45Å; L283-I287 WeakPolarHBondContact O-CG1 3.33Å; L283-I287 PolarHBondContact O-N 3.4Å; L283-Y623 HydrophobicContact CD1-CD1 4.12Å; L283-Y623 HydrophobicContact CD1-CE1 3.62Å; L283-Y623 HydrophobicContact CD2-CD1 4.29Å; L283-Y623 HydrophobicContact CD2-CE1 4.31Å; L283-Y623 HydrophobicContact CG-CD1 4.37Å; L283-Y623 HydrophobicContact CG-CE1 3.91Å; L283-I626 HydrophobicContact CD1-CD1 3.91Å
284	R	76.4	Confident	70.6	Confident	178 Å²	178	84.7 Å²	84.7	67%	0.672	41%	0.41	S	S	*	.	H	α-helix	trans	-63.1	-42.4	176.3	-77.4	-176.5	-175.3	-154.5	3.1	112.5	I280 T282 D286 A288	I280-R284 HydrophobicContact CG2-CG 4.28Å; I280-R284 VanDerWaalsContact O-CB 3.26Å; I280-R284 WeakPolarHBondContact O-CB 3.48Å; I280-R284 VanDerWaalsContact O-CG 3.25Å; I280-R284 WeakPolarHBondContact O-CG 3.29Å; I280-R284 PolarHBondContact O-N 2.95Å; T282-R284 PolarHBondContact O-N 2.75Å; R284-D286 VanDerWaalsContact C-N 3.33Å; R284-A288 VanDerWaalsContact O-CB 3.3Å; R284-A288 WeakPolarHBondContact O-CB 3.29Å; R284-A288 PolarHBondContact O-N 3.24Å
285	K	72.2	Confident	69.5	Low	157 Å²	157	89.1 Å²	89.1	68%	0.683	43%	0.432	S	S	*	.	H	α-helix	trans	-64.2	-40.7	177.3	-174	-177.5	177	-173.2	0	111	R281 T282 K289	R281-K285 WeakPolarHBondContact O-CB 3.46Å; R281-K285 PolarHBondContact O-N 2.87Å; T282-K285 PolarHBondContact O-N 3.35Å; K285-K289 WeakPolarHBondContact O-CB 3.38Å; K285-K289 PolarHBondContact O-N 2.74Å; K285-K289 VanDerWaalsContact O-N 3.07Å
286	D	65.1	Low	68.5	Low	32 Å²	32	93.1 Å²	93.1	17%	0.171	46%	0.458	C	S	.	.	H	α-helix	trans	-68.7	-46.7	177.3	-74.8	-19.1	0	0	0	111.1	T282 L283 R284 A288 K289 Y290	T282-D286 WeakPolarHBondContact O-CB 3.31Å; T282-D286 PolarHBondContact O-N 2.98Å; L283-D286 PolarHBondContact O-N 2.83Å; R284-D286 VanDerWaalsContact C-N 3.33Å; D286-A288 PolarHBondContact O-N 3.28Å; D286-K289 PolarHBondContact O-N 3.41Å; D286-K289 VanDerWaalsContact O-N 3.14Å; D286-Y290 HydrophobicContact CB-CE2 4.43Å; D286-Y290 WeakPolarHBondContact O-CD2 3.31Å; D286-Y290 PolarHBondContact O-N 2.85Å
287	I	67.6	Low	67.2	Low	53 Å²	53	99.8 Å²	99.8	27%	0.272	48%	0.481	S	S	.	.	H	α-helix	trans	-53.1	-52.8	173	-69.4	159.9	0	0	0	110.8	L283 K289 Y290 N291 Y623	L283-I287 HydrophobicContact CD2-CD1 4.45Å; L283-I287 HydrophobicContact CG-CD1 4.02Å; L283-I287 WeakPolarHBondContact O-CB 3.43Å; L283-I287 WeakPolarHBondContact O-CD1 3.45Å; L283-I287 WeakPolarHBondContact O-CG1 3.33Å; L283-I287 PolarHBondContact O-N 3.4Å; I287-K289 PolarHBondContact O-N 2.98Å; I287-Y290 PolarHBondContact O-N 3.22Å; I287-N291 PolarHBondContact O-N 2.92Å; I287-Y623 HydrophobicContact CD1-CD1 4.24Å; I287-Y623 HydrophobicContact CD1-CE1 3.53Å; I287-Y623 HydrophobicContact CG1-CD1 4.42Å; I287-Y623 HydrophobicContact CG1-CE1 3.34Å; I287-Y623 HydrophobicContact CG1-CE2 4.38Å; I287-Y623 WeakPolarHBondContact CG1-OH 3.03Å
288	A	72.8	Confident	65.9	Low	49 Å²	49	100.2 Å²	100.2	41%	0.405	49%	0.486	S	S	.	.	H	α-helix	trans	-63.7	-29.8	-177.5	0	0	0	0	0	112.5	R284 D286 R292	R284-A288 VanDerWaalsContact O-CB 3.3Å; R284-A288 WeakPolarHBondContact O-CB 3.29Å; R284-A288 PolarHBondContact O-N 3.24Å; D286-A288 PolarHBondContact O-N 3.28Å; A288-R292 WeakPolarHBondContact O-CG 3.37Å; A288-R292 PolarHBondContact O-N 2.94Å
289	K	66.2	Low	64.7	Low	66 Å²	66	106.4 Å²	106.4	29%	0.287	52%	0.518	S	S	.	.	H	α-helix	trans	-74.6	-41.3	174.7	-176.8	174.3	171.1	171.3	0	111.7	K285 D286 I287 R292 S293 L300	K285-K289 WeakPolarHBondContact O-CB 3.38Å; K285-K289 PolarHBondContact O-N 2.74Å; K285-K289 VanDerWaalsContact O-N 3.07Å; D286-K289 PolarHBondContact O-N 3.41Å; D286-K289 VanDerWaalsContact O-N 3.14Å; I287-K289 PolarHBondContact O-N 2.98Å; K289-R292 PolarHBondContact O-N 3.21Å; K289-S293 PolarHBondContact O-N 3.02Å; K289-S293 VanDerWaalsContact O-N 3.1Å; K289-L300 HydrophobicContact CD-CD2 4.26Å; K289-L300 VanDerWaalsContact NZ-CD2 3.29Å
290	Y	61.3	Low	63.8	Low	80 Å²	80	110.4 Å²	110.4	31%	0.314	54%	0.539	S	S	.	.	H	α-helix	trans	-65.5	-40.8	176.1	-80.1	-67.4	0	0	0	112.7	D286 I287 R292 S293 K306 H617	D286-Y290 HydrophobicContact CB-CE2 4.43Å; D286-Y290 WeakPolarHBondContact O-CD2 3.31Å; D286-Y290 PolarHBondContact O-N 2.85Å; I287-Y290 PolarHBondContact O-N 3.22Å; Y290-R292 PolarHBondContact O-N 2.89Å; Y290-R292 VanDerWaalsContact O-N 3.16Å; Y290-S293 WeakPolarHBondContact CA-OG 3.13Å; Y290-S293 PolarHBondContact O-N 3.29Å; Y290-S293 PolarHBondContact O-OG 3.22Å; Y290-K306 PolarHBondContact OH-NZ 3.4Å; Y290-H617 PolarHBondContact OH-CE1 3Å; Y290-H617 PolarHBondContact OH-NE2 3.42Å
291	N	70.5	Confident	62.7	Low	114 Å²	114	114.5 Å²	114.5	61%	0.61	56%	0.556	S	S	*	*	H	α-helix	trans	-65.9	-17.3	175.1	-68.9	-2.1	0	0	0	113	I287	I287-N291 PolarHBondContact O-N 2.92Å
292	R	65.7	Low	61.8	Low	192 Å²	192	111 Å²	111	73%	0.725	55%	0.547	S	S	*	.	H	α-helix	trans	-90.7	-21	172.3	-72.5	177.4	-177.7	-177.9	0.3	113.1	A288 K289 Y290 D294 D295	A288-R292 WeakPolarHBondContact O-CG 3.37Å; A288-R292 PolarHBondContact O-N 2.94Å; K289-R292 PolarHBondContact O-N 3.21Å; Y290-R292 PolarHBondContact O-N 2.89Å; Y290-R292 VanDerWaalsContact O-N 3.16Å; R292-D294 VanDerWaalsContact C-N 3.28Å; R292-D294 PolarHBondContact O-N 3.18Å; R292-D295 PolarHBondContact O-N 3.45Å
293	S	55.1	Low	61.6	Low	60 Å²	60	114 Å²	114	42%	0.42	57%	0.569	S	S	.	*	H	α-helix	trans	-77.1	-12.1	-178.2	56.2	0	0	0	0	113.9	K289 Y290 D295	K289-S293 PolarHBondContact O-N 3.02Å; K289-S293 VanDerWaalsContact O-N 3.1Å; Y290-S293 WeakPolarHBondContact CA-OG 3.13Å; Y290-S293 PolarHBondContact O-N 3.29Å; Y290-S293 PolarHBondContact O-OG 3.22Å; S293-D295 PolarHBondContact O-N 3.23Å
294	D	56.5	Low	61.7	Low	146 Å²	146	112.7 Å²	112.7	78%	0.781	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-16.9	167.8	-73	-17.5	0	0	0	112	R292	R292-D294 VanDerWaalsContact C-N 3.28Å; R292-D294 PolarHBondContact O-N 3.18Å
295	D	57.6	Low	61.2	Low	143 Å²	143	105.2 Å²	105.2	77%	0.765	54%	0.538	S	S	*	.	S	Bend	trans	-103.3	-16.8	-175.2	-76.5	-26.6	0	0	0	115.4	R292 S293	R292-D295 PolarHBondContact O-N 3.45Å; S293-D295 PolarHBondContact O-N 3.23Å
296	V	54.9	Low	61.1	Low	110 Å²	110	98.8 Å²	98.8	67%	0.667	51%	0.51	S	S	*	.			trans	-146.2	98.2	-176.5	-172.1	0	0	0	0	110.6	D298	V296-D298 PolarHBondContact O-N 3.4Å
297	E	52.7	Low	61.5	Low	182 Å²	182	99.4 Å²	99.4	85%	0.85	51%	0.513	S	S	*	.			trans	-77.4	-13.1	-166.4	-156.5	160.3	-160.5	0	0	115.8
298	D	52.9	Low	62.2	Low	135 Å²	135	97 Å²	97	72%	0.722	50%	0.501	S	S	*	.	S	Bend	trans	-152.2	124.3	178.8	-78.9	-52.8	0	0	0	111.1	V296	V296-D298 PolarHBondContact O-N 3.4Å
299	I	50	Low	62.5	Low	161 Å²	161	97.9 Å²	97.9	83%	0.826	50%	0.497	S	S	*	.			trans	150.2	-15.5	154.5	-76.3	155.3	0	0	0	112.5	E301	I299-E301 PolarHBondContact O-N 3Å
300	L	53.4	Low	63.3	Low	132 Å²	132	94.9 Å²	94.9	69%	0.691	48%	0.484	S	S	*	.			trans	-71.7	96.2	-179.1	-147.8	101.3	0	0	0	110.9	K289 E302	K289-L300 HydrophobicContact CD-CD2 4.26Å; K289-L300 VanDerWaalsContact NZ-CD2 3.29Å; L300-E302 PolarHBondContact O-N 3.36Å
301	E	53.4	Low	64.6	Low	171 Å²	171	91.2 Å²	91.2	80%	0.799	47%	0.47	S	S	*	.			trans	-40.7	112.4	171.2	-67.7	179.8	169.5	0	0	108.9	I299 S303	I299-E301 PolarHBondContact O-N 3Å; E301-S303 PolarHBondContact O-N 2.81Å
302	E	58.2	Low	65.4	Low	109 Å²	109	85.8 Å²	85.8	51%	0.509	44%	0.441	S	S	.	.			trans	-56	119.8	173	-64.5	-169.7	152.9	0	0	106.8	L300 K306 L307	L300-E302 PolarHBondContact O-N 3.36Å; E302-K306 HydrophobicContact CB-CB 4.45Å; E302-L307 HydrophobicContact CB-CD2 3.95Å; E302-L307 HydrophobicContact CB-CG 4.4Å; E302-L307 WeakPolarHBondContact O-CD1 3.44Å; E302-L307 WeakPolarHBondContact O-CD2 3.17Å; E302-L307 WeakPolarHBondContact O-CG 3.38Å
303	S	62.8	Low	66.6	Low	82 Å²	82	76.9 Å²	76.9	57%	0.573	41%	0.408	S	S	*	.			trans	-119.7	144.7	-176.4	37	0	0	0	0	110.4	E301	E301-S303 PolarHBondContact O-N 2.81Å
304	G	69.7	Low	68.3	Low	15 Å²	15	77.1 Å²	77.1	16%	0.155	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	82	-144	178.6	0	0	0	0	0	113.8	K306 L307	G304-K306 PolarHBondContact O-N 3.41Å; G304-L307 WeakPolarHBondContact O-CB 3.08Å; G304-L307 PolarHBondContact O-N 3.31Å; G304-L307 VanDerWaalsContact O-N 3.1Å
305	W	67.1	Low	70	Confident	20 Å²	20	72.8 Å²	72.8	8%	0.076	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-59.7	-26	-170.1	77.7	-91.5	0	0	0	114.6	L307 V308 H309 L538 Y613 L614 H617	W305-L307 PolarHBondContact O-N 2.85Å; W305-V308 CarbonylContact O-C 3.58Å; W305-V308 WeakPolarHBondContact O-CA 3.35Å; W305-V308 PolarHBondContact O-N 2.89Å; W305-H309 HydrophobicContact CE3-CB 4.47Å; W305-H309 HydrophobicContact CZ3-CB 4.18Å; W305-H309 PolarHBondContact O-N 2.93Å; W305-H309 VanDerWaalsContact O-N 3.16Å; W305-L538 VanDerWaalsContact CA-O 3.23Å; W305-L538 WeakPolarHBondContact CA-O 3.47Å; W305-L538 HydrophobicContact CB-CB 4Å; W305-L538 WeakPolarHBondContact CB-O 3.48Å; W305-L538 PolarHBondContact N-O 2.92Å; W305-Y613 AromaticContact CD2-CE1 3.92Å; W305-Y613 HydrophobicContact CD2-CE1 3.92Å; W305-Y613 AromaticContact CE2-CE1 3.51Å; W305-Y613 AromaticContact CE2-CZ 3.89Å; W305-Y613 HydrophobicContact CE3-CE1 4.13Å; W305-Y613 HydrophobicContact CH2-CD1 4.21Å; W305-Y613 AromaticContact CH2-CE1 3.61Å; W305-Y613 HydrophobicContact CH2-CE1 3.61Å; W305-Y613 HydrophobicContact CZ2-CD1 4.37Å; W305-Y613 AromaticContact CZ2-CE1 3.36Å; W305-Y613 HydrophobicContact CZ2-CE1 3.36Å; W305-Y613 AromaticContact CZ2-CZ 3.73Å; W305-Y613 WeakPolarHBondContact CZ2-OH 3.16Å; W305-Y613 HydrophobicContact CZ3-CD1 4.41Å; W305-Y613 AromaticContact CZ3-CE1 3.99Å; W305-Y613 HydrophobicContact CZ3-CE1 3.99Å; W305-Y613 PolarHBondContact NE1-OH 3.29Å; W305-Y613 VanDerWaalsContact NE1-OH 3.16Å; W305-L614 HydrophobicContact CZ3-CD2 3.98Å; W305-L614 HydrophobicContact CZ3-CG 4.17Å; W305-H617 HydrophobicContact CH2-CB 4.12Å; W305-H617 AromaticContact CH2-CD2 3.7Å; W305-H617 AromaticContact CH2-CG 3.79Å; W305-H617 AromaticContact CZ2-CD2 3.62Å; W305-H617 AromaticContact CZ2-NE2 3.96Å
306	K	68.9	Low	71.7	Confident	23 Å²	23	66.6 Å²	66.6	10%	0.1	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-58.6	-35.2	177.7	-70.9	-169.2	176.9	-159.2	0	111.9	Y290 E302 G304 V308 H309 H617	Y290-K306 PolarHBondContact OH-NZ 3.4Å; E302-K306 HydrophobicContact CB-CB 4.45Å; G304-K306 PolarHBondContact O-N 3.41Å; K306-V308 PolarHBondContact O-N 2.64Å; K306-V308 VanDerWaalsContact O-N 3.11Å; K306-H309 PolarHBondContact O-N 2.87Å; K306-H309 PolarHBondContact O-ND1 3.25Å; K306-H617 WeakPolarHBondContact CE-NE2 3.3Å; K306-H617 PolarHBondContact NZ-NE2 2.94Å; K306-H617 VanDerWaalsContact NZ-NE2 3.15Å
307	L	74.9	Confident	73.4	Confident	45 Å²	45	70.9 Å²	70.9	24%	0.236	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-65.6	-17.1	176.7	-71.8	171.4	0	0	0	114	E302 G304 W305 R466 E541	E302-L307 HydrophobicContact CB-CD2 3.95Å; E302-L307 HydrophobicContact CB-CG 4.4Å; E302-L307 WeakPolarHBondContact O-CD1 3.44Å; E302-L307 WeakPolarHBondContact O-CD2 3.17Å; E302-L307 WeakPolarHBondContact O-CG 3.38Å; G304-L307 WeakPolarHBondContact O-CB 3.08Å; G304-L307 PolarHBondContact O-N 3.31Å; G304-L307 VanDerWaalsContact O-N 3.1Å; W305-L307 PolarHBondContact O-N 2.85Å; L307-R466 VanDerWaalsContact CD1-NH2 3.28Å; L307-E541 WeakPolarHBondContact CD1-OE1 3.26Å
308	V	82	Confident	75.3	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.006	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-114	-5.9	-169.6	-178.9	0	0	0	0	111.8	W305 K306 G310 D311 V312 E541 Y543	W305-V308 CarbonylContact O-C 3.58Å; W305-V308 WeakPolarHBondContact O-CA 3.35Å; W305-V308 PolarHBondContact O-N 2.89Å; K306-V308 PolarHBondContact O-N 2.64Å; K306-V308 VanDerWaalsContact O-N 3.11Å; V308-G310 PolarHBondContact O-N 2.84Å; V308-D311 PolarHBondContact O-N 3.47Å; V308-V312 HydrophobicContact CG1-CG2 4.37Å; V308-V312 WeakPolarHBondContact O-CG2 3.18Å; V308-V312 PolarHBondContact O-N 2.83Å; V308-E541 HydrophobicContact CG2-CB 3.84Å; V308-E541 HydrophobicContact CG2-CG 4.31Å; V308-Y543 HydrophobicContact CG1-CD1 3.78Å; V308-Y543 HydrophobicContact CG1-CG 4.04Å
309	H	79	Confident	77.3	Confident	69 Å²	69	64.1 Å²	64.1	32%	0.319	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-37.1	-178.7	79.2	-72.8	0	0	0	113.3	W305 K306 D311 I459 L614	W305-H309 HydrophobicContact CE3-CB 4.47Å; W305-H309 HydrophobicContact CZ3-CB 4.18Å; W305-H309 PolarHBondContact O-N 2.93Å; W305-H309 VanDerWaalsContact O-N 3.16Å; K306-H309 PolarHBondContact O-N 2.87Å; K306-H309 PolarHBondContact O-ND1 3.25Å; H309-D311 VanDerWaalsContact C-N 3.29Å; H309-D311 PolarHBondContact O-N 3Å; H309-I459 HydrophobicContact CB-CD1 4.45Å; H309-L614 HydrophobicContact CB-CD2 4Å
310	G	82.8	Confident	79.5	Confident	2 Å²	2	62.7 Å²	62.7	2%	0.021	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-6.6	177.6	0	0	0	0	0	115.4	V308 T461 N462	V308-G310 PolarHBondContact O-N 2.84Å; G310-T461 CarbonylContact O-C 3.5Å; G310-T461 WeakPolarHBondContact O-CA 3.43Å; G310-N462 PolarHBondContact O-N 3.49Å
311	D	88.4	Confident	81.5	Confident	3 Å²	3	60.5 Å²	60.5	2%	0.016	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-10.1	179.2	-80.7	-47.2	0	0	0	113.7	V308 H309 F313 R314 R466 Y543	V308-D311 PolarHBondContact O-N 3.47Å; H309-D311 VanDerWaalsContact C-N 3.29Å; H309-D311 PolarHBondContact O-N 3Å; D311-F313 VanDerWaalsContact C-N 3.25Å; D311-F313 PolarHBondContact O-N 3.41Å; D311-F313 VanDerWaalsContact O-N 3.15Å; D311-R314 WeakPolarHBondContact O-CB 3.36Å; D311-R314 PolarHBondContact O-N 2.86Å; D311-R314 IonicContact OD1-CZ 3.05Å; D311-R314 IonicContact OD1-NE 2.93Å; D311-R314 PolarHBondContact OD1-NE 2.99Å; D311-R314 VanDerWaalsContact OD1-NE 3.16Å; D311-R314 IonicContact OD1-NH2 2.67Å; D311-R314 PolarHBondContact OD1-NH2 3.47Å; D311-R466 PolarHBondContact OD2-N 2.83Å; D311-Y543 HydrophobicContact CB-CD1 3.89Å; D311-Y543 HydrophobicContact CB-CD2 4.07Å; D311-Y543 HydrophobicContact CB-CE1 4.21Å; D311-Y543 HydrophobicContact CB-CE2 4.39Å; D311-Y543 HydrophobicContact CB-CG 3.81Å
312	V	87.6	Confident	83.6	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.006	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-39.2	-177.8	179.5	0	0	0	0	113	V308 R314 L538 W545 W546 L614	V308-V312 HydrophobicContact CG1-CG2 4.37Å; V308-V312 WeakPolarHBondContact O-CG2 3.18Å; V308-V312 PolarHBondContact O-N 2.83Å; V312-R314 VanDerWaalsContact C-N 3.34Å; V312-L538 HydrophobicContact CG1-CD2 4.45Å; V312-L538 HydrophobicContact CG2-CD2 4Å; V312-W545 PolarHBondContact O-NE1 3.01Å; V312-W546 PolarHBondContact O-NE1 3.47Å; V312-L614 HydrophobicContact CG1-CD1 4.15Å
313	F	90.2	Very high	85.5	Confident	5 Å²	5	47.1 Å²	47.1	2%	0.022	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	13.6	-176.8	-66.9	-69.6	0	0	0	114.1	D311 Q457 P458 T461 L614	D311-F313 VanDerWaalsContact C-N 3.25Å; D311-F313 PolarHBondContact O-N 3.41Å; D311-F313 VanDerWaalsContact O-N 3.15Å; F313-Q457 HydrophobicContact CB-CB 4.47Å; F313-Q457 HydrophobicContact CB-CG 4.13Å; F313-Q457 HydrophobicContact CD1-CG 4.17Å; F313-Q457 HydrophobicContact CD2-CB 4.45Å; F313-Q457 HydrophobicContact CG-CB 4.28Å; F313-Q457 HydrophobicContact CG-CG 4.11Å; F313-Q457 PolarHBondContact O-NE2 3.41Å; F313-P458 HydrophobicContact CE2-CG 3.57Å; F313-P458 HydrophobicContact CZ-CG 3.86Å; F313-T461 HydrophobicContact CB-CG2 4.22Å; F313-L614 HydrophobicContact CE2-CB 4.35Å; F313-L614 HydrophobicContact CE2-CD1 3.87Å; F313-L614 HydrophobicContact CE2-CD2 4.32Å; F313-L614 HydrophobicContact CE2-CG 4.39Å; F313-L614 HydrophobicContact CZ-CD1 3.98Å
314	R	91.4	Very high	87.1	Confident	64 Å²	64	43.3 Å²	43.3	24%	0.242	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-62.9	134.1	175.1	-173.7	173.7	-69.7	-92.4	-1.7	110.1	D311 V312 N462 W546	D311-R314 WeakPolarHBondContact O-CB 3.36Å; D311-R314 PolarHBondContact O-N 2.86Å; D311-R314 IonicContact OD1-CZ 3.05Å; D311-R314 IonicContact OD1-NE 2.93Å; D311-R314 PolarHBondContact OD1-NE 2.99Å; D311-R314 VanDerWaalsContact OD1-NE 3.16Å; D311-R314 IonicContact OD1-NH2 2.67Å; D311-R314 PolarHBondContact OD1-NH2 3.47Å; V312-R314 VanDerWaalsContact C-N 3.34Å; R314-N462 PolarHBondContact NH2-O 3.33Å; R314-W546 PolarHBondContact O-NE1 3.47Å
315	P	92.1	Very high	88.5	Confident	56 Å²	56	43.2 Å²	43.2	36%	0.364	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-56.4	138.4	177.9	-26.4	34.6	0	0	0	112.3	L382	P315-L382 HydrophobicContact CB-CB 4.4Å; P315-L382 HydrophobicContact CB-CD2 4.45Å
316	P	93.5	Very high	89.9	Confident	13 Å²	13	42.8 Å²	42.8	8%	0.084	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-71.5	158.2	179.3	28.9	-34	0	0	0	112	T319 F322 W546	P316-T319 PolarHBondContact O-OG1 3.26Å; P316-F322 HydrophobicContact CG-CD1 4.15Å; P316-F322 HydrophobicContact CG-CG 4.29Å; P316-W546 HydrophobicContact CB-CB 3.7Å; P316-W546 HydrophobicContact CB-CG 3.97Å; P316-W546 HydrophobicContact CG-CB 4.04Å; P316-W546 HydrophobicContact CG-CD2 4.25Å; P316-W546 HydrophobicContact CG-CE3 4.41Å; P316-W546 HydrophobicContact CG-CG 4.08Å
317	R	90.3	Very high	91.3	Very high	200 Å²	200	41.7 Å²	41.7	76%	0.755	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	144	167.4	-61	-176.6	73	164.8	1.9	109.5	T319 W547	R317-T319 PolarHBondContact O-N 2.95Å; R317-W547 PolarHBondContact O-NE1 2.88Å
318	H	93.6	Very high	92.4	Very high	144 Å²	144	39.5 Å²	39.5	67%	0.667	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	49.7	-178.7	-56.4	-69.5	0	0	0	114.7	R320 L321 F322 W547	H318-R320 PolarHBondContact O-N 3.3Å; H318-R320 VanDerWaalsContact O-N 3.08Å; H318-L321 HydrophobicContact CB-CB 4.35Å; H318-L321 PolarHBondContact O-N 3.18Å; H318-F322 PolarHBondContact O-N 2.87Å; H318-W547 HydrophobicContact CB-CZ2 4.48Å
319	T	94.4	Very high	93.2	Very high	31 Å²	31	39.5 Å²	39.5	19%	0.19	18%	0.179	C	C	.	.	H	α-helix	trans	-49.6	-38.2	-178.6	-39.8	0	0	0	0	113.9	P316 R317 F322 T323 Y379 L382	P316-T319 PolarHBondContact O-OG1 3.26Å; R317-T319 PolarHBondContact O-N 2.95Å; T319-F322 PolarHBondContact O-N 2.66Å; T319-T323 PolarHBondContact O-N 2.94Å; T319-T323 PolarHBondContact O-OG1 2.83Å; T319-Y379 HydrophobicContact CG2-CD2 4.26Å; T319-Y379 HydrophobicContact CG2-CE2 4.19Å; T319-L382 HydrophobicContact CG2-CB 3.53Å; T319-L382 HydrophobicContact CG2-CD1 3.55Å; T319-L382 HydrophobicContact CG2-CG 4.12Å
320	R	95.4	Very high	94.1	Very high	131 Å²	131	36.7 Å²	36.7	49%	0.494	17%	0.166	S	C	.	.	H	α-helix	trans	-60.6	-48.3	178.6	-66.4	-166.6	-72.1	164.4	-3.3	112.5	H318 T323 A324 Y379 T390	H318-R320 PolarHBondContact O-N 3.3Å; H318-R320 VanDerWaalsContact O-N 3.08Å; R320-T323 PolarHBondContact O-N 3.46Å; R320-A324 WeakPolarHBondContact O-CB 3.26Å; R320-A324 PolarHBondContact O-N 3.33Å; R320-Y379 HydrophobicContact CG-CE2 4.08Å; R320-T390 WeakPolarHBondContact CG-OG1 3.35Å
321	L	96.1	Very high	94.8	Very high	85 Å²	85	36.6 Å²	36.6	45%	0.445	17%	0.165	S	C	.	.	H	α-helix	trans	-65.8	-43.8	-179.7	-178.7	67	0	0	0	110.6	H318 T323 A324 L325 L397 W547	H318-L321 HydrophobicContact CB-CB 4.35Å; H318-L321 PolarHBondContact O-N 3.18Å; L321-T323 PolarHBondContact O-N 2.89Å; L321-A324 PolarHBondContact O-N 3.14Å; L321-L325 HydrophobicContact CG-CD1 4.27Å; L321-L325 PolarHBondContact O-N 3.33Å; L321-L397 HydrophobicContact CD1-CD1 3.59Å; L321-W547 HydrophobicContact CB-CH2 4.39Å; L321-W547 HydrophobicContact CB-CZ2 4.39Å; L321-W547 HydrophobicContact CD2-CH2 3.98Å; L321-W547 HydrophobicContact CD2-CZ2 4.35Å; L321-W547 HydrophobicContact CG-CH2 3.97Å; L321-W547 HydrophobicContact CG-CZ2 4.42Å
322	F	97.2	Very high	95.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.2	-48.9	177.2	-175	-103.7	0	0	0	111.8	P316 H318 T319 A324 L325 F326 L378 L382 W546 W547 F550 F603	P316-F322 HydrophobicContact CG-CD1 4.15Å; P316-F322 HydrophobicContact CG-CG 4.29Å; H318-F322 PolarHBondContact O-N 2.87Å; T319-F322 PolarHBondContact O-N 2.66Å; F322-A324 VanDerWaalsContact C-N 3.34Å; F322-A324 PolarHBondContact O-N 2.93Å; F322-L325 PolarHBondContact O-N 3.28Å; F322-F326 WeakPolarHBondContact O-CB 3.43Å; F322-F326 PolarHBondContact O-N 3.02Å; F322-L378 HydrophobicContact CD1-CD2 4.46Å; F322-L378 HydrophobicContact CE1-CD2 4.1Å; F322-L382 HydrophobicContact CD1-CD1 4.43Å; F322-W546 AromaticContact CE1-CE3 3.83Å; F322-W546 HydrophobicContact CE1-CE3 3.83Å; F322-W546 HydrophobicContact CE1-CZ3 4.44Å; F322-W546 WeakPolarHBondContact CE2-O 3.19Å; F322-W546 HydrophobicContact CZ-CB 4.45Å; F322-W546 HydrophobicContact CZ-CE3 4.2Å; F322-W547 HydrophobicContact CB-CH2 4Å; F322-W547 HydrophobicContact CB-CZ2 3.51Å; F322-W547 AromaticContact CD2-CD2 3.76Å; F322-W547 HydrophobicContact CD2-CD2 3.76Å; F322-W547 AromaticContact CD2-CE2 3.79Å; F322-W547 AromaticContact CD2-CE3 3.88Å; F322-W547 HydrophobicContact CD2-CE3 3.88Å; F322-W547 HydrophobicContact CD2-CG 4.37Å; F322-W547 HydrophobicContact CD2-CH2 4.09Å; F322-W547 AromaticContact CD2-CZ2 3.98Å; F322-W547 HydrophobicContact CD2-CZ2 3.98Å; F322-W547 HydrophobicContact CD2-CZ3 4.03Å; F322-W547 HydrophobicContact CE2-CD2 4.46Å; F322-W547 HydrophobicContact CE2-CE3 4.47Å; F322-W547 HydrophobicContact CG-CZ2 4.25Å; F322-F550 HydrophobicContact CE2-CB 4.09Å; F322-F550 HydrophobicContact CE2-CD2 4.21Å; F322-F550 HydrophobicContact CE2-CG 4.34Å; F322-F603 HydrophobicContact CE1-CD2 4.31Å; F322-F603 HydrophobicContact CE1-CE1 4.16Å; F322-F603 AromaticContact CE1-CE2 3.83Å; F322-F603 HydrophobicContact CE1-CE2 3.83Å; F322-F603 AromaticContact CE1-CZ 3.74Å; F322-F603 HydrophobicContact CE1-CZ 3.74Å; F322-F603 HydrophobicContact CZ-CD1 4.22Å; F322-F603 AromaticContact CZ-CD2 3.55Å; F322-F603 HydrophobicContact CZ-CD2 3.55Å; F322-F603 HydrophobicContact CZ-CE1 4.17Å; F322-F603 AromaticContact CZ-CE2 3.51Å; F322-F603 HydrophobicContact CZ-CE2 3.51Å; F322-F603 AromaticContact CZ-CG 3.92Å; F322-F603 HydrophobicContact CZ-CG 3.92Å; F322-F603 AromaticContact CZ-CZ 3.83Å; F322-F603 HydrophobicContact CZ-CZ 3.83Å
323	T	97.3	Very high	95.8	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.8	-34.2	178.7	-52.7	0	0	0	0	112.5	T319 R320 L321 G327 A375 Y379 T390 F446	T319-T323 PolarHBondContact O-N 2.94Å; T319-T323 PolarHBondContact O-OG1 2.83Å; R320-T323 PolarHBondContact O-N 3.46Å; L321-T323 PolarHBondContact O-N 2.89Å; T323-G327 PolarHBondContact O-N 3.2Å; T323-A375 HydrophobicContact CG2-CB 3.81Å; T323-A375 WeakPolarHBondContact CG2-O 3.27Å; T323-Y379 HydrophobicContact CG2-CD2 4.26Å; T323-Y379 HydrophobicContact CG2-CG 4.44Å; T323-T390 HydrophobicContact CG2-CG2 4.25Å; T323-F446 HydrophobicContact CG2-CE2 4.38Å
324	A	97.6	Very high	96.1	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-65.6	-44.4	175	0	0	0	0	0	112.5	R320 L321 F322 G327 S328 A393 T394 L397	R320-A324 WeakPolarHBondContact O-CB 3.26Å; R320-A324 PolarHBondContact O-N 3.33Å; L321-A324 PolarHBondContact O-N 3.14Å; F322-A324 VanDerWaalsContact C-N 3.34Å; F322-A324 PolarHBondContact O-N 2.93Å; A324-G327 PolarHBondContact O-N 3.11Å; A324-S328 WeakPolarHBondContact O-CB 3.43Å; A324-S328 PolarHBondContact O-N 3Å; A324-S328 PolarHBondContact O-OG 3.44Å; A324-A393 HydrophobicContact CB-CB 4.46Å; A324-T394 WeakPolarHBondContact CA-OG1 3.33Å; A324-L397 HydrophobicContact CB-CD1 3.82Å
325	L	97.8	Very high	96.4	Very high	13 Å²	13	39.8 Å²	39.8	7%	0.068	18%	0.182	C	C	.	.	H	α-helix	trans	-64.7	-45.6	174.9	-73.9	172.9	0	0	0	111.9	L321 F322 G327 S328 G329 L397 W547 F550 W595 I596	L321-L325 HydrophobicContact CG-CD1 4.27Å; L321-L325 PolarHBondContact O-N 3.33Å; F322-L325 PolarHBondContact O-N 3.28Å; L325-G327 PolarHBondContact O-N 3.35Å; L325-S328 WeakPolarHBondContact O-CB 3.48Å; L325-S328 PolarHBondContact O-N 3.39Å; L325-G329 PolarHBondContact O-N 3.49Å; L325-L397 HydrophobicContact CD2-CD1 3.98Å; L325-L397 HydrophobicContact CD2-CD2 3.7Å; L325-L397 HydrophobicContact CG-CD1 4.07Å; L325-W547 HydrophobicContact CD1-CH2 3.78Å; L325-W547 HydrophobicContact CD1-CZ3 3.75Å; L325-F550 HydrophobicContact CB-CZ 4.06Å; L325-W595 HydrophobicContact CD1-CH2 4.05Å; L325-W595 HydrophobicContact CD1-CZ3 4.12Å; L325-W595 HydrophobicContact CD2-CZ3 4.16Å; L325-I596 HydrophobicContact CD2-CD1 4.19Å; L325-I596 HydrophobicContact CD2-CG1 4.26Å
326	F	98	Very high	96.6	Very high	11 Å²	11	38.6 Å²	38.6	5%	0.048	17%	0.174	C	C	.	.	H	α-helix	trans	-57.5	-48.1	175.4	173	-104.1	0	0	0	111.8	F322 S328 G329 V330 F374 L378 T600 F603 T604	F322-F326 WeakPolarHBondContact O-CB 3.43Å; F322-F326 PolarHBondContact O-N 3.02Å; F326-S328 VanDerWaalsContact C-N 3.33Å; F326-S328 PolarHBondContact O-N 2.82Å; F326-G329 PolarHBondContact O-N 2.81Å; F326-V330 HydrophobicContact CD1-CG2 4.43Å; F326-V330 HydrophobicContact CD2-CG2 4.47Å; F326-V330 HydrophobicContact CE1-CG2 3.99Å; F326-V330 HydrophobicContact CE2-CG2 4.01Å; F326-V330 HydrophobicContact CZ-CG2 3.76Å; F326-V330 WeakPolarHBondContact O-CG2 3.37Å; F326-V330 PolarHBondContact O-N 2.82Å; F326-F374 HydrophobicContact CE1-CB 4.04Å; F326-L378 HydrophobicContact CB-CD2 4.15Å; F326-L378 HydrophobicContact CD1-CB 4.32Å; F326-L378 HydrophobicContact CD1-CD2 3.36Å; F326-L378 HydrophobicContact CD1-CG 4.48Å; F326-L378 HydrophobicContact CD2-CD2 4.3Å; F326-L378 HydrophobicContact CE1-CB 4.19Å; F326-L378 HydrophobicContact CE1-CD2 3.74Å; F326-L378 HydrophobicContact CG-CD2 3.66Å; F326-L378 HydrophobicContact CZ-CD2 4.37Å; F326-T600 HydrophobicContact CD2-CG2 3.77Å; F326-T600 HydrophobicContact CE2-CG2 3.89Å; F326-F603 AromaticContact CD2-CD1 3.4Å; F326-F603 HydrophobicContact CD2-CD1 3.4Å; F326-F603 VanDerWaalsContact CD2-CD1 3.4Å; F326-F603 AromaticContact CD2-CE1 3.59Å; F326-F603 HydrophobicContact CD2-CE1 3.59Å; F326-F603 AromaticContact CE2-CD1 3.53Å; F326-F603 HydrophobicContact CE2-CD1 3.53Å; F326-F603 AromaticContact CE2-CE1 3.58Å; F326-F603 HydrophobicContact CE2-CE1 3.58Å; F326-F603 HydrophobicContact CG-CD1 4.39Å; F326-F603 HydrophobicContact CG-CE1 4.27Å; F326-F603 HydrophobicContact CZ-CE1 4.26Å; F326-T604 WeakPolarHBondContact CE2-OG1 3.01Å
327	G	98.1	Very high	96.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.9	-43.2	176.4	0	0	0	0	0	112.5	T323 A324 L325 G329 V330 Q331 A371	T323-G327 PolarHBondContact O-N 3.2Å; A324-G327 PolarHBondContact O-N 3.11Å; L325-G327 PolarHBondContact O-N 3.35Å; G327-G329 VanDerWaalsContact C-N 3.31Å; G327-G329 PolarHBondContact O-N 3.48Å; G327-V330 PolarHBondContact O-N 3.4Å; G327-Q331 PolarHBondContact O-N 3.29Å; G327-A371 VanDerWaalsContact O-CB 3.31Å; G327-A371 WeakPolarHBondContact O-CB 3.22Å
328	S	98	Very high	97	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.1	-41.1	175.7	-57.9	0	0	0	0	111.8	A324 L325 F326 Q331 L332	A324-S328 WeakPolarHBondContact O-CB 3.43Å; A324-S328 PolarHBondContact O-N 3Å; A324-S328 PolarHBondContact O-OG 3.44Å; L325-S328 WeakPolarHBondContact O-CB 3.48Å; L325-S328 PolarHBondContact O-N 3.39Å; F326-S328 VanDerWaalsContact C-N 3.33Å; F326-S328 PolarHBondContact O-N 2.82Å; S328-Q331 VanDerWaalsContact O-CB 3.3Å; S328-Q331 WeakPolarHBondContact O-CB 3.37Å; S328-Q331 PolarHBondContact O-N 2.9Å; S328-L332 WeakPolarHBondContact O-CG 3.45Å; S328-L332 PolarHBondContact O-N 3.47Å
329	G	98.1	Very high	97	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-72	-32.5	177.6	0	0	0	0	0	114.3	L325 F326 G327 Q331 L332 F333 I596 T600	L325-G329 PolarHBondContact O-N 3.49Å; F326-G329 PolarHBondContact O-N 2.81Å; G327-G329 VanDerWaalsContact C-N 3.31Å; G327-G329 PolarHBondContact O-N 3.48Å; G329-Q331 VanDerWaalsContact C-N 3.3Å; G329-L332 PolarHBondContact O-N 3.47Å; G329-F333 VanDerWaalsContact O-CB 3.26Å; G329-F333 WeakPolarHBondContact O-CB 3.5Å; G329-F333 PolarHBondContact O-N 3.5Å; G329-I596 VanDerWaalsContact CA-CG2 3.45Å; G329-T600 WeakPolarHBondContact CA-OG1 3.24Å
330	V	98.2	Very high	96.9	Very high	10 Å²	10	26.8 Å²	26.8	6%	0.061	13%	0.125	C	C	.	.	H	α-helix	trans	-62.3	-41.9	169.9	171.3	0	0	0	0	110.2	F326 G327 F333 F334 F374 T600	F326-V330 HydrophobicContact CD1-CG2 4.43Å; F326-V330 HydrophobicContact CD2-CG2 4.47Å; F326-V330 HydrophobicContact CE1-CG2 3.99Å; F326-V330 HydrophobicContact CE2-CG2 4.01Å; F326-V330 HydrophobicContact CZ-CG2 3.76Å; F326-V330 WeakPolarHBondContact O-CG2 3.37Å; F326-V330 PolarHBondContact O-N 2.82Å; G327-V330 PolarHBondContact O-N 3.4Å; V330-F333 PolarHBondContact O-N 3.03Å; V330-F334 HydrophobicContact CG1-CD2 3.82Å; V330-F334 HydrophobicContact CG1-CE2 3.69Å; V330-F334 VanDerWaalsContact O-CD2 3.27Å; V330-F334 WeakPolarHBondContact O-CD2 3.42Å; V330-F334 PolarHBondContact O-N 3.35Å; V330-F374 HydrophobicContact CG1-CB 4.18Å; V330-F374 HydrophobicContact CG1-CD2 3.7Å; V330-F374 HydrophobicContact CG1-CE2 4.48Å; V330-F374 HydrophobicContact CG1-CG 4.22Å; V330-F374 HydrophobicContact CG2-CB 4.2Å; V330-T600 HydrophobicContact CG2-CG2 3.97Å
331	Q	98	Very high	96.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.7	-49.4	175.4	-157.6	170.5	-5.2	0	0	111.8	G327 S328 G329 M335 Y364 M367 A371	G327-Q331 PolarHBondContact O-N 3.29Å; S328-Q331 VanDerWaalsContact O-CB 3.3Å; S328-Q331 WeakPolarHBondContact O-CB 3.37Å; S328-Q331 PolarHBondContact O-N 2.9Å; G329-Q331 VanDerWaalsContact C-N 3.3Å; Q331-M335 WeakPolarHBondContact O-CB 3.27Å; Q331-M335 PolarHBondContact O-N 2.76Å; Q331-Y364 HydrophobicContact CB-CE2 4.08Å; Q331-Y364 VanDerWaalsContact CD-CE2 3.4Å; Q331-Y364 HydrophobicContact CG-CD2 3.85Å; Q331-Y364 HydrophobicContact CG-CE2 3.54Å; Q331-Y364 VanDerWaalsContact NE2-CZ 3.29Å; Q331-Y364 PolarHBondContact NE2-O 2.86Å; Q331-Y364 PolarHBondContact OE1-OH 2.97Å; Q331-Y364 VanDerWaalsContact OE1-OH 3.12Å; Q331-M367 HydrophobicContact CG-CB 4.13Å; Q331-A371 HydrophobicContact CB-CB 3.63Å; Q331-A371 HydrophobicContact CG-CB 3.97Å
332	L	98	Very high	96.5	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.016	12%	0.115	C	C	.	.	H	α-helix	trans	-62.5	-42.2	178.5	-72.9	171.4	0	0	0	111.8	S328 G329 M335 V336 Y364 F398 T593 I596 L597	S328-L332 WeakPolarHBondContact O-CG 3.45Å; S328-L332 PolarHBondContact O-N 3.47Å; G329-L332 PolarHBondContact O-N 3.47Å; L332-M335 HydrophobicContact CD2-CE 4.16Å; L332-M335 PolarHBondContact O-N 2.82Å; L332-V336 WeakPolarHBondContact O-CB 3.18Å; L332-V336 VanDerWaalsContact O-CG2 3.27Å; L332-V336 WeakPolarHBondContact O-CG2 3.37Å; L332-V336 PolarHBondContact O-N 2.92Å; L332-Y364 HydrophobicContact CD2-CD2 4.4Å; L332-Y364 HydrophobicContact CD2-CE2 4.1Å; L332-F398 HydrophobicContact CD1-CD2 4.43Å; L332-F398 HydrophobicContact CD1-CE1 4.33Å; L332-F398 HydrophobicContact CD1-CE2 4.1Å; L332-F398 HydrophobicContact CD1-CZ 4.04Å; L332-F398 HydrophobicContact CD2-CE1 3.74Å; L332-F398 HydrophobicContact CD2-CZ 3.84Å; L332-F398 HydrophobicContact CG-CE1 4.34Å; L332-F398 HydrophobicContact CG-CZ 4.44Å; L332-T593 HydrophobicContact CD1-CG2 3.87Å; L332-T593 HydrophobicContact CD2-CG2 3.83Å; L332-T593 HydrophobicContact CG-CG2 4.46Å; L332-I596 HydrophobicContact CD1-CB 4.12Å; L332-I596 HydrophobicContact CD1-CG2 3.9Å; L332-L597 HydrophobicContact CB-CD1 4.4Å
333	F	98.1	Very high	96.1	Very high	51 Å²	51	24.7 Å²	24.7	22%	0.224	12%	0.117	C	C	.	.	H	α-helix	trans	-57.5	-53.9	179	173.8	-95	0	0	0	111.7	G329 V330 M335 V336 F337 F519 I523 L597 I601	G329-F333 VanDerWaalsContact O-CB 3.26Å; G329-F333 WeakPolarHBondContact O-CB 3.5Å; G329-F333 PolarHBondContact O-N 3.5Å; V330-F333 PolarHBondContact O-N 3.03Å; F333-M335 PolarHBondContact O-N 2.99Å; F333-V336 PolarHBondContact O-N 2.88Å; F333-F337 VanDerWaalsContact O-CB 3.26Å; F333-F337 WeakPolarHBondContact O-CB 3.35Å; F333-F337 PolarHBondContact O-N 3.24Å; F333-F519 HydrophobicContact CD2-CZ 4.28Å; F333-F519 HydrophobicContact CE2-CZ 4.37Å; F333-I523 HydrophobicContact CE2-CD1 3.61Å; F333-I523 HydrophobicContact CE2-CG1 4.02Å; F333-I523 HydrophobicContact CZ-CD1 4.2Å; F333-L597 HydrophobicContact CB-CD1 3.91Å; F333-L597 HydrophobicContact CD2-CD1 4.35Å; F333-I601 HydrophobicContact CD2-CD1 4.18Å; F333-I601 HydrophobicContact CD2-CG1 4.01Å; F333-I601 HydrophobicContact CE2-CG1 4.37Å
334	F	98	Very high	95.5	Very high	56 Å²	56	28 Å²	28	25%	0.246	13%	0.134	C	C	.	.	H	α-helix	trans	-66.9	-37.9	179.9	-75.2	-65.8	0	0	0	112.2	V330 I338 M367 F370 F374	V330-F334 HydrophobicContact CG1-CD2 3.82Å; V330-F334 HydrophobicContact CG1-CE2 3.69Å; V330-F334 VanDerWaalsContact O-CD2 3.27Å; V330-F334 WeakPolarHBondContact O-CD2 3.42Å; V330-F334 PolarHBondContact O-N 3.35Å; F334-I338 VanDerWaalsContact O-CB 3.31Å; F334-I338 WeakPolarHBondContact O-CB 3.42Å; F334-I338 WeakPolarHBondContact O-CD1 3.39Å; F334-I338 WeakPolarHBondContact O-CG1 2.94Å; F334-I338 PolarHBondContact O-N 2.85Å; F334-M367 HydrophobicContact CB-CB 4.25Å; F334-M367 HydrophobicContact CB-CG 3.68Å; F334-M367 HydrophobicContact CB-SD 3.6Å; F334-M367 HydrophobicContact CG-SD 4.29Å; F334-F370 HydrophobicContact CD2-CB 4.04Å; F334-F370 HydrophobicContact CE2-CB 4.11Å; F334-F370 HydrophobicContact CE2-CG 4.49Å; F334-F374 HydrophobicContact CE2-CD2 4.37Å; F334-F374 AromaticContact CE2-CE2 3.91Å; F334-F374 HydrophobicContact CE2-CE2 3.91Å; F334-F374 HydrophobicContact CZ-CE2 4.22Å
335	M	97.1	Very high	94.9	Very high	30 Å²	30	32.6 Å²	32.6	15%	0.148	16%	0.158	C	C	.	.	H	α-helix	trans	-58.6	-54.1	174.8	-179.7	-151.5	69.9	0	0	111.2	Q331 L332 F333 I338 V339 A360 T363 Y364	Q331-M335 WeakPolarHBondContact O-CB 3.27Å; Q331-M335 PolarHBondContact O-N 2.76Å; L332-M335 HydrophobicContact CD2-CE 4.16Å; L332-M335 PolarHBondContact O-N 2.82Å; F333-M335 PolarHBondContact O-N 2.99Å; M335-I338 PolarHBondContact O-N 3.38Å; M335-V339 HydrophobicContact CG-CG2 4.44Å; M335-V339 WeakPolarHBondContact O-CB 3.42Å; M335-V339 WeakPolarHBondContact O-CG2 3.37Å; M335-V339 PolarHBondContact O-N 3.38Å; M335-A360 HydrophobicContact SD-CB 4.5Å; M335-T363 HydrophobicContact CB-CG2 4.49Å; M335-T363 HydrophobicContact CG-CG2 4.47Å; M335-Y364 HydrophobicContact CB-CD2 4.46Å; M335-Y364 HydrophobicContact CG-CD2 4.48Å; M335-Y364 HydrophobicContact SD-CD2 3.79Å; M335-Y364 HydrophobicContact SD-CG 4.13Å
336	V	96.1	Very high	93.9	Very high	32 Å²	32	33.9 Å²	33.9	19%	0.194	17%	0.174	C	C	.	.	H	α-helix	trans	-61.5	-46.8	-179.2	172.9	0	0	0	0	110.7	L332 F333 I338 V339 I340 F519 L597	L332-V336 WeakPolarHBondContact O-CB 3.18Å; L332-V336 VanDerWaalsContact O-CG2 3.27Å; L332-V336 WeakPolarHBondContact O-CG2 3.37Å; L332-V336 PolarHBondContact O-N 2.92Å; F333-V336 PolarHBondContact O-N 2.88Å; V336-I338 PolarHBondContact O-N 3.12Å; V336-V339 PolarHBondContact O-N 2.98Å; V336-I340 HydrophobicContact CG1-CD1 3.43Å; V336-I340 VanDerWaalsContact CG1-CD1 3.43Å; V336-I340 HydrophobicContact CG1-CG1 4.23Å; V336-I340 WeakPolarHBondContact O-CB 3.45Å; V336-I340 VanDerWaalsContact O-CG1 3.25Å; V336-I340 WeakPolarHBondContact O-CG1 3.25Å; V336-I340 PolarHBondContact O-N 2.94Å; V336-F519 HydrophobicContact CB-CE2 4.45Å; V336-F519 HydrophobicContact CB-CZ 4.19Å; V336-F519 HydrophobicContact CG1-CD2 4.03Å; V336-F519 HydrophobicContact CG1-CE1 4.16Å; V336-F519 HydrophobicContact CG1-CE2 3.61Å; V336-F519 HydrophobicContact CG1-CZ 3.67Å; V336-L597 HydrophobicContact CG2-CD2 4.47Å
337	F	96.6	Very high	92.9	Very high	69 Å²	69	36.4 Å²	36.4	30%	0.303	19%	0.19	S	C	.	.	H	α-helix	trans	-58.2	-50	180	-178.1	-93.3	0	0	0	112	F333 F341 F516 F519 I520	F333-F337 VanDerWaalsContact O-CB 3.26Å; F333-F337 WeakPolarHBondContact O-CB 3.35Å; F333-F337 PolarHBondContact O-N 3.24Å; F337-F341 WeakPolarHBondContact O-CB 3.38Å; F337-F341 PolarHBondContact O-N 3.41Å; F337-F516 HydrophobicContact CD2-CE2 4.23Å; F337-F516 AromaticContact CE2-CE2 3.88Å; F337-F516 HydrophobicContact CE2-CE2 3.88Å; F337-F516 AromaticContact CE2-CZ 4Å; F337-F516 HydrophobicContact CE2-CZ 4Å; F337-F516 HydrophobicContact CZ-CE2 4.32Å; F337-F516 HydrophobicContact CZ-CZ 4.27Å; F337-F519 HydrophobicContact CB-CE1 3.97Å; F337-F519 HydrophobicContact CD2-CD1 4.43Å; F337-F519 HydrophobicContact CD2-CE1 4.02Å; F337-I520 HydrophobicContact CE2-CD1 4.11Å
338	I	95.5	Very high	91.9	Very high	39 Å²	39	37.6 Å²	37.6	20%	0.2	20%	0.196	C	C	.	.	H	α-helix	trans	-67.2	-44.5	-177.4	-69.3	169.5	0	0	0	111.1	F334 M335 V336 F341 F342 T363 M367	F334-I338 VanDerWaalsContact O-CB 3.31Å; F334-I338 WeakPolarHBondContact O-CB 3.42Å; F334-I338 WeakPolarHBondContact O-CD1 3.39Å; F334-I338 WeakPolarHBondContact O-CG1 2.94Å; F334-I338 PolarHBondContact O-N 2.85Å; M335-I338 PolarHBondContact O-N 3.38Å; V336-I338 PolarHBondContact O-N 3.12Å; I338-F341 PolarHBondContact O-N 3.24Å; I338-F342 HydrophobicContact CG2-CD2 3.68Å; I338-F342 HydrophobicContact CG2-CE2 3.77Å; I338-F342 WeakPolarHBondContact O-CD2 3.49Å; I338-F342 PolarHBondContact O-N 2.89Å; I338-T363 HydrophobicContact CB-CG2 3.91Å; I338-T363 HydrophobicContact CD1-CG2 4.08Å; I338-T363 HydrophobicContact CG2-CG2 3.82Å; I338-M367 HydrophobicContact CD1-CE 3.48Å; I338-M367 VanDerWaalsContact CD1-CE 3.48Å; I338-M367 HydrophobicContact CD1-CG 4.39Å; I338-M367 HydrophobicContact CD1-SD 3.69Å
339	V	94	Very high	90.6	Very high	15 Å²	15	38.4 Å²	38.4	9%	0.091	20%	0.202	C	C	.	.	H	α-helix	trans	-63.3	-47.1	-179.7	171.1	0	0	0	0	110.9	M335 V336 F341 F342 A343 L348 I356 A360	M335-V339 HydrophobicContact CG-CG2 4.44Å; M335-V339 WeakPolarHBondContact O-CB 3.42Å; M335-V339 WeakPolarHBondContact O-CG2 3.37Å; M335-V339 PolarHBondContact O-N 3.38Å; V336-V339 PolarHBondContact O-N 2.98Å; V339-F341 VanDerWaalsContact C-N 3.32Å; V339-F341 PolarHBondContact O-N 3.42Å; V339-F342 PolarHBondContact O-N 3.1Å; V339-A343 VanDerWaalsContact O-CB 3.26Å; V339-A343 WeakPolarHBondContact O-CB 2.97Å; V339-A343 PolarHBondContact O-N 2.93Å; V339-L348 HydrophobicContact CG1-CD1 4.42Å; V339-I356 HydrophobicContact CG1-CG2 4.32Å; V339-A360 HydrophobicContact CG2-CB 4.28Å
340	I	92.6	Very high	89.3	Confident	17 Å²	17	39.5 Å²	39.5	9%	0.087	21%	0.209	C	C	.	.	H	α-helix	trans	-66.1	-38.3	178.7	-62.1	172.5	0	0	0	110.5	V336 A343 M344 L515 F516 F519	V336-I340 HydrophobicContact CG1-CD1 3.43Å; V336-I340 VanDerWaalsContact CG1-CD1 3.43Å; V336-I340 HydrophobicContact CG1-CG1 4.23Å; V336-I340 WeakPolarHBondContact O-CB 3.45Å; V336-I340 VanDerWaalsContact O-CG1 3.25Å; V336-I340 WeakPolarHBondContact O-CG1 3.25Å; V336-I340 PolarHBondContact O-N 2.94Å; I340-A343 PolarHBondContact O-N 3.34Å; I340-M344 WeakPolarHBondContact O-CB 3.31Å; I340-M344 PolarHBondContact O-N 2.88Å; I340-L515 HydrophobicContact CD1-CD2 4.09Å; I340-L515 HydrophobicContact CD1-CG 4.06Å; I340-L515 HydrophobicContact CG1-CD2 4.06Å; I340-L515 HydrophobicContact CG1-CG 4.44Å; I340-L515 HydrophobicContact CG2-CB 4.31Å; I340-L515 HydrophobicContact CG2-CD2 4.37Å; I340-L515 HydrophobicContact CG2-CG 4.25Å; I340-F516 HydrophobicContact CB-CD2 4.35Å; I340-F516 HydrophobicContact CG2-CB 3.64Å; I340-F516 HydrophobicContact CG2-CD2 3.78Å; I340-F516 HydrophobicContact CG2-CG 4.21Å; I340-F519 HydrophobicContact CD1-CB 4.25Å; I340-F519 HydrophobicContact CD1-CD1 4.46Å; I340-F519 HydrophobicContact CD1-CG 4.16Å
341	F	92.7	Very high	88	Confident	75 Å²	75	39.3 Å²	39.3	33%	0.329	21%	0.209	S	C	.	.	H	α-helix	trans	-60.4	-49.2	177	178.9	-99.2	0	0	0	112.3	F337 I338 V339 A343 M344 L345 F516	F337-F341 WeakPolarHBondContact O-CB 3.38Å; F337-F341 PolarHBondContact O-N 3.41Å; I338-F341 PolarHBondContact O-N 3.24Å; V339-F341 VanDerWaalsContact C-N 3.32Å; V339-F341 PolarHBondContact O-N 3.42Å; F341-A343 VanDerWaalsContact C-N 3.32Å; F341-A343 PolarHBondContact O-N 2.84Å; F341-M344 HydrophobicContact CD2-CE 3.78Å; F341-M344 HydrophobicContact CE2-CE 3.91Å; F341-M344 WeakPolarHBondContact O-CB 3.3Å; F341-M344 PolarHBondContact O-N 3.49Å; F341-L345 HydrophobicContact CD1-CD1 4.23Å; F341-L345 HydrophobicContact CE1-CD1 3.7Å; F341-L345 HydrophobicContact CE1-CG 4.44Å; F341-L345 HydrophobicContact CZ-CD1 4.11Å; F341-L345 PolarHBondContact O-N 3.43Å; F341-L345 VanDerWaalsContact O-N 3.16Å; F341-F516 HydrophobicContact CB-CE2 4.13Å; F341-F516 HydrophobicContact CD2-CE2 4.21Å; F341-F516 HydrophobicContact CD2-CZ 4.11Å
342	F	90.5	Very high	87	Confident	92 Å²	92	40.3 Å²	40.3	40%	0.404	22%	0.216	S	C	.	.	H	α-helix	trans	-69.6	-29.3	177	-80.1	-67.8	0	0	0	113.2	I338 V339 L345 T347 L348	I338-F342 HydrophobicContact CG2-CD2 3.68Å; I338-F342 HydrophobicContact CG2-CE2 3.77Å; I338-F342 WeakPolarHBondContact O-CD2 3.49Å; I338-F342 PolarHBondContact O-N 2.89Å; V339-F342 PolarHBondContact O-N 3.1Å; F342-L345 HydrophobicContact CD1-CD1 4.12Å; F342-L345 HydrophobicContact CE1-CD1 4.43Å; F342-L345 PolarHBondContact O-N 3.4Å; F342-T347 PolarHBondContact O-N 2.94Å; F342-T347 PolarHBondContact O-OG1 3.44Å; F342-L348 HydrophobicContact CB-CD1 3.72Å; F342-L348 HydrophobicContact CB-CG 4.09Å
343	A	87.5	Confident	86.1	Confident	5 Å²	5	42.2 Å²	42.2	4%	0.041	22%	0.223	C	C	.	.	H	α-helix	trans	-67.5	-38.9	171.5	0	0	0	0	0	112	V339 I340 F341 L345 G346 L348 F512	V339-A343 VanDerWaalsContact O-CB 3.26Å; V339-A343 WeakPolarHBondContact O-CB 2.97Å; V339-A343 PolarHBondContact O-N 2.93Å; I340-A343 PolarHBondContact O-N 3.34Å; F341-A343 VanDerWaalsContact C-N 3.32Å; F341-A343 PolarHBondContact O-N 2.84Å; A343-L345 VanDerWaalsContact C-N 3.31Å; A343-L345 PolarHBondContact O-N 3.44Å; A343-G346 PolarHBondContact O-N 3.37Å; A343-L348 HydrophobicContact CB-CB 4.22Å; A343-F512 HydrophobicContact CB-CB 3.88Å; A343-F512 HydrophobicContact CB-CD1 3.6Å; A343-F512 HydrophobicContact CB-CD2 4.11Å; A343-F512 HydrophobicContact CB-CE1 4.17Å; A343-F512 HydrophobicContact CB-CG 3.58Å
344	M	85.6	Confident	85.5	Confident	69 Å²	69	39.8 Å²	39.8	34%	0.34	21%	0.212	S	C	.	.	H	α-helix	trans	-62.1	-37	173.3	175	-172.9	71.1	0	0	112.1	I340 F341 G346 F516	I340-M344 WeakPolarHBondContact O-CB 3.31Å; I340-M344 PolarHBondContact O-N 2.88Å; F341-M344 HydrophobicContact CD2-CE 3.78Å; F341-M344 HydrophobicContact CE2-CE 3.91Å; F341-M344 WeakPolarHBondContact O-CB 3.3Å; F341-M344 PolarHBondContact O-N 3.49Å; M344-G346 PolarHBondContact O-N 3.25Å; M344-G346 VanDerWaalsContact O-N 3.17Å; M344-F516 HydrophobicContact CB-CB 4.49Å; M344-F516 HydrophobicContact CE-CD1 4.14Å; M344-F516 HydrophobicContact CE-CE1 4.24Å; M344-F516 HydrophobicContact SD-CB 4.02Å; M344-F516 HydrophobicContact SD-CD1 3.55Å; M344-F516 VanDerWaalsContact SD-CD1 3.55Å; M344-F516 HydrophobicContact SD-CE1 4.21Å; M344-F516 HydrophobicContact SD-CG 3.87Å
345	L	84.8	Confident	85	Confident	98 Å²	98	38 Å²	38	51%	0.513	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-4	174.7	-64.4	178.3	0	0	0	113.6	F341 F342 A343 T347	F341-L345 HydrophobicContact CD1-CD1 4.23Å; F341-L345 HydrophobicContact CE1-CD1 3.7Å; F341-L345 HydrophobicContact CE1-CG 4.44Å; F341-L345 HydrophobicContact CZ-CD1 4.11Å; F341-L345 PolarHBondContact O-N 3.43Å; F341-L345 VanDerWaalsContact O-N 3.16Å; F342-L345 HydrophobicContact CD1-CD1 4.12Å; F342-L345 HydrophobicContact CE1-CD1 4.43Å; F342-L345 PolarHBondContact O-N 3.4Å; A343-L345 VanDerWaalsContact C-N 3.31Å; A343-L345 PolarHBondContact O-N 3.44Å; L345-T347 HydrophobicContact CB-CG2 4.23Å; L345-T347 PolarHBondContact O-N 3.36Å
346	G	77	Confident	84.6	Confident	40 Å²	40	38.2 Å²	38.2	41%	0.412	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	-3.9	-178.2	0	0	0	0	0	114.6	A343 M344 L348 S349	A343-G346 PolarHBondContact O-N 3.37Å; M344-G346 PolarHBondContact O-N 3.25Å; M344-G346 VanDerWaalsContact O-N 3.17Å; G346-L348 VanDerWaalsContact C-N 3.33Å; G346-L348 PolarHBondContact O-N 3.25Å; G346-S349 WeakPolarHBondContact O-CB 3.28Å; G346-S349 PolarHBondContact O-N 3.1Å
347	T	76.2	Confident	84.4	Confident	63 Å²	63	40 Å²	40	39%	0.387	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-30.4	-179.4	62.4	0	0	0	0	113.1	F342 L345 S349	F342-T347 PolarHBondContact O-N 2.94Å; F342-T347 PolarHBondContact O-OG1 3.44Å; L345-T347 HydrophobicContact CB-CG2 4.23Å; L345-T347 PolarHBondContact O-N 3.36Å; T347-S349 PolarHBondContact O-N 3.29Å
348	L	77.9	Confident	84.1	Confident	25 Å²	25	37.9 Å²	37.9	13%	0.131	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	53.7	172.8	-61	173	0	0	0	110.2	V339 F342 A343 G346 I356 A359	V339-L348 HydrophobicContact CG1-CD1 4.42Å; F342-L348 HydrophobicContact CB-CD1 3.72Å; F342-L348 HydrophobicContact CB-CG 4.09Å; A343-L348 HydrophobicContact CB-CB 4.22Å; G346-L348 VanDerWaalsContact C-N 3.33Å; G346-L348 PolarHBondContact O-N 3.25Å; L348-I356 HydrophobicContact CB-CG1 4.19Å; L348-A359 HydrophobicContact CD1-CB 3.73Å; L348-A359 HydrophobicContact CD2-CB 3.69Å; L348-A359 HydrophobicContact CG-CB 4.39Å
349	S	71	Confident	84	Confident	17 Å²	17	37 Å²	37	12%	0.119	21%	0.206	C	C	.	.			trans	-68.2	146.1	179.7	71	0	0	0	0	110.9	G346 T347 A351 S352	G346-S349 WeakPolarHBondContact O-CB 3.28Å; G346-S349 PolarHBondContact O-N 3.1Å; T347-S349 PolarHBondContact O-N 3.29Å; S349-A351 PolarHBondContact O-N 3.38Å; S349-A351 WeakPolarHBondContact OG-CB 3.33Å; S349-S352 PolarHBondContact O-N 3.02Å; S349-S352 PolarHBondContact O-OG 3.21Å
350	P	69.6	Low	84	Confident	24 Å²	24	37.3 Å²	37.3	16%	0.156	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-16.1	171.8	-27.2	37.6	0	0	0	114.2	W245 S352 Y510 F512	W245-P350 HydrophobicContact CH2-CB 4.48Å; W245-P350 HydrophobicContact CZ3-CB 4.34Å; P350-S352 PolarHBondContact O-N 2.91Å; P350-Y510 HydrophobicContact CG-CD2 3.95Å; P350-Y510 HydrophobicContact CG-CE2 4.5Å; P350-F512 HydrophobicContact CG-CE2 3.96Å; P350-F512 HydrophobicContact CG-CZ 4.38Å
351	A	71.1	Confident	84.2	Confident	6 Å²	6	38 Å²	38	5%	0.05	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-29	173.2	0	0	0	0	0	112.8	N129 W245 S349 R353	N129-A351 VanDerWaalsContact CB-O 3.3Å; N129-A351 WeakPolarHBondContact CB-O 3.47Å; W245-A351 VanDerWaalsContact CZ2-CA 3.49Å; W245-A351 HydrophobicContact CZ2-CB 3.85Å; S349-A351 PolarHBondContact O-N 3.38Å; S349-A351 WeakPolarHBondContact OG-CB 3.33Å; A351-R353 PolarHBondContact O-N 2.86Å
352	S	76.8	Confident	84.3	Confident	21 Å²	21	38.7 Å²	38.7	15%	0.147	22%	0.218	C	C	.	.	S	Bend	trans	-89.1	98	169.6	58.7	0	0	0	0	109.6	S349 P350 G354 A355	S349-S352 PolarHBondContact O-N 3.02Å; S349-S352 PolarHBondContact O-OG 3.21Å; P350-S352 PolarHBondContact O-N 2.91Å; S352-G354 PolarHBondContact O-N 3.02Å; S352-A355 VanDerWaalsContact O-CB 3.25Å; S352-A355 WeakPolarHBondContact O-CB 3.43Å; S352-A355 PolarHBondContact O-N 3.15Å; S352-A355 VanDerWaalsContact O-N 3.11Å; S352-A355 WeakPolarHBondContact OG-CB 3.43Å
353	R	79.7	Confident	84.5	Confident	42 Å²	42	35.4 Å²	35.4	16%	0.158	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	132.2	-177.8	-70.6	-170.4	-61.9	-122.2	-8.4	111.2	N71 E74 S126 N129 A351 A355	N71-R353 PolarHBondContact ND2-O 3.26Å; E74-R353 HydrophobicContact CG-CB 3.87Å; E74-R353 WeakPolarHBondContact OE1-CB 3.44Å; E74-R353 IonicContact OE1-NE 3.62Å; E74-R353 PolarHBondContact OE1-NE 3.02Å; S126-R353 PolarHBondContact OG-NH1 3.39Å; N129-R353 PolarHBondContact OD1-NH2 2.86Å; A351-R353 PolarHBondContact O-N 2.86Å; R353-A355 PolarHBondContact O-N 3Å; R353-A355 VanDerWaalsContact O-N 3.12Å
354	G	85.7	Confident	85	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	-5.7	-179.2	0	0	0	0	0	115.9	S352 I356 M357 N358	S352-G354 PolarHBondContact O-N 3.02Å; G354-I356 PolarHBondContact O-N 3.49Å; G354-M357 PolarHBondContact O-N 3.36Å; G354-M357 VanDerWaalsContact O-N 3.13Å; G354-N358 PolarHBondContact O-N 3.17Å
355	A	87.6	Confident	85.5	Confident	19 Å²	19	33.6 Å²	33.6	16%	0.157	19%	0.194	C	C	.	.	H	α-helix	trans	-62.7	-42.9	-172.7	0	0	0	0	0	113.8	S352 R353 M357 N358 A359	S352-A355 VanDerWaalsContact O-CB 3.25Å; S352-A355 WeakPolarHBondContact O-CB 3.43Å; S352-A355 PolarHBondContact O-N 3.15Å; S352-A355 VanDerWaalsContact O-N 3.11Å; S352-A355 WeakPolarHBondContact OG-CB 3.43Å; R353-A355 PolarHBondContact O-N 3Å; R353-A355 VanDerWaalsContact O-N 3.12Å; A355-M357 VanDerWaalsContact C-N 3.27Å; A355-M357 PolarHBondContact O-N 3.48Å; A355-N358 PolarHBondContact O-N 2.92Å; A355-A359 VanDerWaalsContact O-CB 3.27Å; A355-A359 WeakPolarHBondContact O-CB 3.25Å; A355-A359 PolarHBondContact O-N 3.46Å
356	I	88.5	Confident	86.1	Confident	35 Å²	35	34.8 Å²	34.8	18%	0.179	20%	0.195	C	C	.	.	H	α-helix	trans	-59.4	-41	176.8	-63.1	168.7	0	0	0	110.7	V339 L348 G354 A360 F512	V339-I356 HydrophobicContact CG1-CG2 4.32Å; L348-I356 HydrophobicContact CB-CG1 4.19Å; G354-I356 PolarHBondContact O-N 3.49Å; I356-A360 WeakPolarHBondContact O-CB 3.34Å; I356-A360 PolarHBondContact O-N 3.33Å; I356-F512 HydrophobicContact CD1-CE1 4.06Å; I356-F512 HydrophobicContact CD1-CE2 4.23Å; I356-F512 HydrophobicContact CD1-CZ 3.45Å; I356-F512 VanDerWaalsContact CD1-CZ 3.45Å
357	M	90.7	Very high	87.1	Confident	69 Å²	69	34 Å²	34	34%	0.34	18%	0.182	S	C	.	.	H	α-helix	trans	-69	-44.1	179.6	-176	63.1	74.9	0	0	111.2	L76 G354 A355 A360 I361	L76-M357 HydrophobicContact CB-CG 4.24Å; L76-M357 HydrophobicContact CD1-CG 3.95Å; L76-M357 HydrophobicContact CD1-SD 4.33Å; G354-M357 PolarHBondContact O-N 3.36Å; G354-M357 VanDerWaalsContact O-N 3.13Å; A355-M357 VanDerWaalsContact C-N 3.27Å; A355-M357 PolarHBondContact O-N 3.48Å; M357-A360 PolarHBondContact O-N 3.02Å; M357-I361 HydrophobicContact CG-CD1 4.09Å; M357-I361 WeakPolarHBondContact O-CG1 3.43Å; M357-I361 PolarHBondContact O-N 2.98Å; M357-I361 HydrophobicContact SD-CD1 4.38Å
358	N	92	Very high	88.1	Confident	25 Å²	25	31 Å²	31	13%	0.134	16%	0.163	C	C	.	.	H	α-helix	trans	-59.3	-49.3	173.7	-73.5	-25.7	0	0	0	111.4	N71 I72 G73 G354 A355 A360 I361 F362	N71-N358 WeakPolarHBondContact CB-ND2 2.99Å; N71-N358 PolarHBondContact OD1-ND2 2.62Å; I72-N358 WeakPolarHBondContact CB-OD1 3.28Å; G73-N358 WeakPolarHBondContact CA-OD1 3.35Å; G73-N358 PolarHBondContact N-OD1 2.97Å; G354-N358 PolarHBondContact O-N 3.17Å; A355-N358 PolarHBondContact O-N 2.92Å; N358-A360 VanDerWaalsContact C-N 3.27Å; N358-A360 PolarHBondContact O-N 3.44Å; N358-I361 PolarHBondContact O-N 2.86Å; N358-I361 VanDerWaalsContact O-N 3.16Å; N358-F362 HydrophobicContact CB-CD2 4.25Å; N358-F362 HydrophobicContact CB-CE2 4.27Å; N358-F362 WeakPolarHBondContact O-CD2 3.23Å; N358-F362 PolarHBondContact O-N 3.36Å
359	A	93	Very high	89	Confident	19 Å²	19	33.3 Å²	33.3	16%	0.157	18%	0.175	C	C	.	.	H	α-helix	trans	-57.5	-42.7	178.4	0	0	0	0	0	111.1	L348 A355 T363	L348-A359 HydrophobicContact CD1-CB 3.73Å; L348-A359 HydrophobicContact CD2-CB 3.69Å; L348-A359 HydrophobicContact CG-CB 4.39Å; A355-A359 VanDerWaalsContact O-CB 3.27Å; A355-A359 WeakPolarHBondContact O-CB 3.25Å; A355-A359 PolarHBondContact O-N 3.46Å; A359-T363 WeakPolarHBondContact O-CB 3.25Å; A359-T363 PolarHBondContact O-N 3.37Å; A359-T363 PolarHBondContact O-OG1 2.56Å
360	A	94.4	Very high	90.3	Very high	23 Å²	23	36.8 Å²	36.8	19%	0.19	19%	0.188	C	C	.	.	H	α-helix	trans	-61	-47.9	175.3	0	0	0	0	0	112.3	M335 V339 I356 M357 N358 Y364	M335-A360 HydrophobicContact SD-CB 4.5Å; V339-A360 HydrophobicContact CG2-CB 4.28Å; I356-A360 WeakPolarHBondContact O-CB 3.34Å; I356-A360 PolarHBondContact O-N 3.33Å; M357-A360 PolarHBondContact O-N 3.02Å; N358-A360 VanDerWaalsContact C-N 3.27Å; N358-A360 PolarHBondContact O-N 3.44Å; A360-Y364 WeakPolarHBondContact O-CB 3.16Å; A360-Y364 PolarHBondContact O-N 3.19Å
361	I	95.1	Very high	91.6	Very high	31 Å²	31	35.6 Å²	35.6	16%	0.159	18%	0.181	C	C	.	.	H	α-helix	trans	-64	-50.8	-179.5	-67	165	0	0	0	111.2	I72 L76 M357 N358 Y364 V365 L430 L433	I72-I361 HydrophobicContact CG2-CD1 3.98Å; L76-I361 HydrophobicContact CD1-CD1 3.38Å; M357-I361 HydrophobicContact CG-CD1 4.09Å; M357-I361 WeakPolarHBondContact O-CG1 3.43Å; M357-I361 PolarHBondContact O-N 2.98Å; M357-I361 HydrophobicContact SD-CD1 4.38Å; N358-I361 PolarHBondContact O-N 2.86Å; N358-I361 VanDerWaalsContact O-N 3.16Å; I361-Y364 WeakPolarHBondContact O-CB 3.41Å; I361-Y364 PolarHBondContact O-N 3.03Å; I361-V365 VanDerWaalsContact O-CG2 3.31Å; I361-V365 WeakPolarHBondContact O-CG2 3.27Å; I361-V365 PolarHBondContact O-N 3.19Å; I361-L430 HydrophobicContact CD1-CD2 4.21Å; I361-L430 HydrophobicContact CG2-CD2 4.31Å; I361-L433 HydrophobicContact CG2-CD1 4.29Å
362	F	94.9	Very high	92.9	Very high	90 Å²	90	35.3 Å²	35.3	40%	0.395	18%	0.178	S	C	.	.	H	α-helix	trans	-64.1	-46.2	-179.3	-74.4	-65.2	0	0	0	111.3	N358 Y364 V365 F366	N358-F362 HydrophobicContact CB-CD2 4.25Å; N358-F362 HydrophobicContact CB-CE2 4.27Å; N358-F362 WeakPolarHBondContact O-CD2 3.23Å; N358-F362 PolarHBondContact O-N 3.36Å; F362-Y364 VanDerWaalsContact C-N 3.31Å; F362-Y364 PolarHBondContact O-N 2.94Å; F362-V365 PolarHBondContact O-N 3.16Å; F362-F366 WeakPolarHBondContact O-CD2 3.3Å; F362-F366 PolarHBondContact O-N 2.92Å
363	T	95.7	Very high	93.9	Very high	23 Å²	23	37 Å²	37	14%	0.141	18%	0.182	C	C	.	.	H	α-helix	trans	-60.6	-43.5	177.1	-54.3	0	0	0	0	110.3	M335 I338 A359 V365 F366 M367	M335-T363 HydrophobicContact CB-CG2 4.49Å; M335-T363 HydrophobicContact CG-CG2 4.47Å; I338-T363 HydrophobicContact CB-CG2 3.91Å; I338-T363 HydrophobicContact CD1-CG2 4.08Å; I338-T363 HydrophobicContact CG2-CG2 3.82Å; A359-T363 WeakPolarHBondContact O-CB 3.25Å; A359-T363 PolarHBondContact O-N 3.37Å; A359-T363 PolarHBondContact O-OG1 2.56Å; T363-V365 VanDerWaalsContact C-N 3.35Å; T363-V365 PolarHBondContact O-N 3.17Å; T363-F366 PolarHBondContact O-N 3.3Å; T363-M367 HydrophobicContact CG2-CE 4.21Å; T363-M367 HydrophobicContact CG2-CG 3.94Å; T363-M367 WeakPolarHBondContact O-CB 3.49Å; T363-M367 WeakPolarHBondContact O-CG 3.39Å; T363-M367 PolarHBondContact O-N 3.26Å
364	Y	97.5	Very high	94.8	Very high	29 Å²	29	38 Å²	38	11%	0.114	19%	0.187	C	C	.	.	H	α-helix	trans	-57	-46.8	176.2	-177.2	-101.9	0	0	0	112.3	Q331 L332 M335 A360 I361 F362 M367 G368 F398 P399	Q331-Y364 HydrophobicContact CB-CE2 4.08Å; Q331-Y364 VanDerWaalsContact CD-CE2 3.4Å; Q331-Y364 HydrophobicContact CG-CD2 3.85Å; Q331-Y364 HydrophobicContact CG-CE2 3.54Å; Q331-Y364 VanDerWaalsContact NE2-CZ 3.29Å; Q331-Y364 PolarHBondContact NE2-O 2.86Å; Q331-Y364 PolarHBondContact OE1-OH 2.97Å; Q331-Y364 VanDerWaalsContact OE1-OH 3.12Å; L332-Y364 HydrophobicContact CD2-CD2 4.4Å; L332-Y364 HydrophobicContact CD2-CE2 4.1Å; M335-Y364 HydrophobicContact CB-CD2 4.46Å; M335-Y364 HydrophobicContact CG-CD2 4.48Å; M335-Y364 HydrophobicContact SD-CD2 3.79Å; M335-Y364 HydrophobicContact SD-CG 4.13Å; A360-Y364 WeakPolarHBondContact O-CB 3.16Å; A360-Y364 PolarHBondContact O-N 3.19Å; I361-Y364 WeakPolarHBondContact O-CB 3.41Å; I361-Y364 PolarHBondContact O-N 3.03Å; F362-Y364 VanDerWaalsContact C-N 3.31Å; F362-Y364 PolarHBondContact O-N 2.94Å; Y364-M367 PolarHBondContact O-N 3.1Å; Y364-G368 PolarHBondContact O-N 3.08Å; Y364-F398 HydrophobicContact CE2-CD1 4.24Å; Y364-F398 HydrophobicContact CE2-CE1 4.23Å; Y364-F398 AromaticContact CZ-CD1 3.97Å; Y364-F398 WeakPolarHBondContact OH-CD1 3.43Å; Y364-P399 HydrophobicContact CE1-CG 4.08Å; Y364-P399 VanDerWaalsContact OH-CG 3.31Å; Y364-P399 WeakPolarHBondContact OH-CG 3.48Å
365	V	97.1	Very high	95.3	Very high	7 Å²	7	38 Å²	38	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-59.6	-48.1	178.1	169.7	0	0	0	0	111.2	I361 F362 T363 G368 L433 I437	I361-V365 VanDerWaalsContact O-CG2 3.31Å; I361-V365 WeakPolarHBondContact O-CG2 3.27Å; I361-V365 PolarHBondContact O-N 3.19Å; F362-V365 PolarHBondContact O-N 3.16Å; T363-V365 VanDerWaalsContact C-N 3.35Å; T363-V365 PolarHBondContact O-N 3.17Å; V365-G368 PolarHBondContact O-N 3.07Å; V365-L433 HydrophobicContact CG2-CB 4.36Å; V365-I437 HydrophobicContact CG1-CB 3.93Å; V365-I437 HydrophobicContact CG1-CG2 3.57Å
366	F	96.6	Very high	95.8	Very high	122 Å²	122	37 Å²	37	54%	0.535	18%	0.18	S	C	.	.	H	α-helix	trans	-69.8	-35.3	180	-75	-67.8	0	0	0	113.3	F362 T363 G368 L369 L441	F362-F366 WeakPolarHBondContact O-CD2 3.3Å; F362-F366 PolarHBondContact O-N 2.92Å; T363-F366 PolarHBondContact O-N 3.3Å; F366-G368 PolarHBondContact O-N 3.33Å; F366-G368 VanDerWaalsContact O-N 3.1Å; F366-L369 PolarHBondContact O-N 3.49Å; F366-L441 HydrophobicContact CD1-CD2 4.15Å
367	M	97.3	Very high	96.2	Very high	25 Å²	25	38 Å²	38	12%	0.123	18%	0.181	C	C	.	.	H	α-helix	trans	-67.2	-8	175.5	-66.8	-50.1	120.9	0	0	113.1	Q331 F334 I338 T363 Y364 L369 F370 A371	Q331-M367 HydrophobicContact CG-CB 4.13Å; F334-M367 HydrophobicContact CB-CB 4.25Å; F334-M367 HydrophobicContact CB-CG 3.68Å; F334-M367 HydrophobicContact CB-SD 3.6Å; F334-M367 HydrophobicContact CG-SD 4.29Å; I338-M367 HydrophobicContact CD1-CE 3.48Å; I338-M367 VanDerWaalsContact CD1-CE 3.48Å; I338-M367 HydrophobicContact CD1-CG 4.39Å; I338-M367 HydrophobicContact CD1-SD 3.69Å; T363-M367 HydrophobicContact CG2-CE 4.21Å; T363-M367 HydrophobicContact CG2-CG 3.94Å; T363-M367 WeakPolarHBondContact O-CB 3.49Å; T363-M367 WeakPolarHBondContact O-CG 3.39Å; T363-M367 PolarHBondContact O-N 3.26Å; Y364-M367 PolarHBondContact O-N 3.1Å; M367-L369 PolarHBondContact O-N 3.42Å; M367-F370 HydrophobicContact CE-CE2 4.45Å; M367-F370 PolarHBondContact O-N 3.31Å; M367-F370 VanDerWaalsContact O-N 3.15Å; M367-F370 HydrophobicContact SD-CD2 3.67Å; M367-F370 HydrophobicContact SD-CE2 4.02Å; M367-A371 PolarHBondContact O-N 2.93Å
368	G	97.2	Very high	96.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-53.3	-35.3	168.2	0	0	0	0	0	113.2	Y364 V365 F366 F370 A371 G372 I442	Y364-G368 PolarHBondContact O-N 3.08Å; V365-G368 PolarHBondContact O-N 3.07Å; F366-G368 PolarHBondContact O-N 3.33Å; F366-G368 VanDerWaalsContact O-N 3.1Å; G368-F370 PolarHBondContact O-N 3.1Å; G368-A371 WeakPolarHBondContact O-CB 3.34Å; G368-A371 PolarHBondContact O-N 2.79Å; G368-G372 PolarHBondContact O-N 3.03Å; G368-I442 VanDerWaalsContact CA-CG1 3.41Å; G368-I442 WeakPolarHBondContact O-CA 3.34Å; G368-I442 VanDerWaalsContact O-CG1 3.25Å; G368-I442 WeakPolarHBondContact O-CG1 3.35Å
369	L	97.7	Very high	96.6	Very high	72 Å²	72	33.9 Å²	33.9	38%	0.377	16%	0.16	S	C	.	.	H	α-helix	trans	-59.9	-46.1	176.5	-178.6	69.3	0	0	0	112.1	F366 M367 Y373 I444 G445	F366-L369 PolarHBondContact O-N 3.49Å; M367-L369 PolarHBondContact O-N 3.42Å; L369-Y373 WeakPolarHBondContact O-CB 3.47Å; L369-Y373 PolarHBondContact O-N 3.48Å; L369-I444 HydrophobicContact CD1-CG2 4.3Å; L369-G445 WeakPolarHBondContact O-CA 3.49Å
370	F	97.8	Very high	96.8	Very high	90 Å²	90	36.3 Å²	36.3	40%	0.395	17%	0.167	S	C	.	.	H	α-helix	trans	-69.9	-41.7	179.1	-68.4	-81.3	0	0	0	111.3	F334 M367 G368 G372 Y373 F374	F334-F370 HydrophobicContact CD2-CB 4.04Å; F334-F370 HydrophobicContact CE2-CB 4.11Å; F334-F370 HydrophobicContact CE2-CG 4.49Å; M367-F370 HydrophobicContact CE-CE2 4.45Å; M367-F370 PolarHBondContact O-N 3.31Å; M367-F370 VanDerWaalsContact O-N 3.15Å; M367-F370 HydrophobicContact SD-CD2 3.67Å; M367-F370 HydrophobicContact SD-CE2 4.02Å; G368-F370 PolarHBondContact O-N 3.1Å; F370-G372 VanDerWaalsContact C-N 3.32Å; F370-G372 PolarHBondContact O-N 3.4Å; F370-Y373 PolarHBondContact O-N 3.44Å; F370-F374 HydrophobicContact CB-CD2 4.38Å; F370-F374 HydrophobicContact CB-CE2 4.46Å; F370-F374 HydrophobicContact CD1-CE2 4.21Å; F370-F374 VanDerWaalsContact O-CD2 3.25Å; F370-F374 WeakPolarHBondContact O-CD2 3.31Å; F370-F374 PolarHBondContact O-N 3.42Å
371	A	97.9	Very high	96.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-52.8	-50.9	174.2	0	0	0	0	0	111.6	G327 Q331 M367 G368 A375	G327-A371 VanDerWaalsContact O-CB 3.31Å; G327-A371 WeakPolarHBondContact O-CB 3.22Å; Q331-A371 HydrophobicContact CB-CB 3.63Å; Q331-A371 HydrophobicContact CG-CB 3.97Å; M367-A371 PolarHBondContact O-N 2.93Å; G368-A371 WeakPolarHBondContact O-CB 3.34Å; G368-A371 PolarHBondContact O-N 2.79Å; A371-A375 WeakPolarHBondContact O-CB 3.26Å; A371-A375 PolarHBondContact O-N 3.19Å; A371-A375 VanDerWaalsContact O-N 3.07Å
372	G	97.9	Very high	96.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.5	-51.5	174.7	0	0	0	0	0	112.1	G368 F370 F374 A375 G376 I442 F446	G368-G372 PolarHBondContact O-N 3.03Å; F370-G372 VanDerWaalsContact C-N 3.32Å; F370-G372 PolarHBondContact O-N 3.4Å; G372-F374 PolarHBondContact O-N 3.27Å; G372-A375 PolarHBondContact O-N 3.01Å; G372-G376 PolarHBondContact O-N 3.09Å; G372-I442 WeakPolarHBondContact CA-O 3.47Å; G372-F446 VanDerWaalsContact C-CA 3.48Å; G372-F446 WeakPolarHBondContact O-CA 3.45Å; G372-F446 PolarHBondContact O-N 2.69Å
373	Y	98.2	Very high	96.4	Very high	57 Å²	57	38.2 Å²	38.2	22%	0.224	17%	0.166	C	C	.	.	H	α-helix	trans	-59.7	-49.2	-175.9	172.2	-96.2	0	0	0	113.6	L369 F370 G376 R377 G445 G449 K452	L369-Y373 WeakPolarHBondContact O-CB 3.47Å; L369-Y373 PolarHBondContact O-N 3.48Å; F370-Y373 PolarHBondContact O-N 3.44Å; Y373-G376 PolarHBondContact O-N 3.24Å; Y373-R377 PolarHBondContact O-N 2.96Å; Y373-R377 VanDerWaalsContact O-N 3.09Å; Y373-G445 WeakPolarHBondContact CA-O 3.33Å; Y373-G445 VanDerWaalsContact N-C 3.26Å; Y373-G445 PolarHBondContact N-O 3.05Å; Y373-G449 WeakPolarHBondContact O-CA 3.35Å; Y373-K452 HydrophobicContact CE2-CD 4.11Å; Y373-K452 WeakPolarHBondContact OH-CD 3.48Å; Y373-K452 PolarHBondContact OH-NZ 3.16Å
374	F	97.6	Very high	96.2	Very high	61 Å²	61	37.3 Å²	37.3	27%	0.268	16%	0.161	S	C	.	.	H	α-helix	trans	-68.7	-40.4	179.3	-74.9	-76.4	0	0	0	111.7	F326 V330 F334 F370 G372 R377 L378	F326-F374 HydrophobicContact CE1-CB 4.04Å; V330-F374 HydrophobicContact CG1-CB 4.18Å; V330-F374 HydrophobicContact CG1-CD2 3.7Å; V330-F374 HydrophobicContact CG1-CE2 4.48Å; V330-F374 HydrophobicContact CG1-CG 4.22Å; V330-F374 HydrophobicContact CG2-CB 4.2Å; F334-F374 HydrophobicContact CE2-CD2 4.37Å; F334-F374 AromaticContact CE2-CE2 3.91Å; F334-F374 HydrophobicContact CE2-CE2 3.91Å; F334-F374 HydrophobicContact CZ-CE2 4.22Å; F370-F374 HydrophobicContact CB-CD2 4.38Å; F370-F374 HydrophobicContact CB-CE2 4.46Å; F370-F374 HydrophobicContact CD1-CE2 4.21Å; F370-F374 VanDerWaalsContact O-CD2 3.25Å; F370-F374 WeakPolarHBondContact O-CD2 3.31Å; F370-F374 PolarHBondContact O-N 3.42Å; G372-F374 PolarHBondContact O-N 3.27Å; F374-R377 PolarHBondContact O-N 3.17Å; F374-L378 WeakPolarHBondContact O-CB 3.4Å; F374-L378 PolarHBondContact O-N 3.48Å
375	A	97.7	Very high	95.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.5	-45	174.9	0	0	0	0	0	112.1	T323 A371 G372 R377 L378 Y379 T394 F446	T323-A375 HydrophobicContact CG2-CB 3.81Å; T323-A375 WeakPolarHBondContact CG2-O 3.27Å; A371-A375 WeakPolarHBondContact O-CB 3.26Å; A371-A375 PolarHBondContact O-N 3.19Å; A371-A375 VanDerWaalsContact O-N 3.07Å; G372-A375 PolarHBondContact O-N 3.01Å; A375-R377 PolarHBondContact O-N 3.11Å; A375-L378 PolarHBondContact O-N 3.03Å; A375-Y379 WeakPolarHBondContact O-CB 3.42Å; A375-Y379 PolarHBondContact O-N 2.85Å; A375-T394 HydrophobicContact CB-CG2 4.27Å; A375-F446 HydrophobicContact CB-CD2 3.94Å; A375-F446 HydrophobicContact CB-CE2 3.72Å
376	G	97.6	Very high	95.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.5	-41	179.1	0	0	0	0	0	113	G372 Y373 Y379 K380 F446	G372-G376 PolarHBondContact O-N 3.09Å; Y373-G376 PolarHBondContact O-N 3.24Å; G376-Y379 PolarHBondContact O-N 3.49Å; G376-K380 PolarHBondContact O-N 2.72Å; G376-K380 VanDerWaalsContact O-N 3.07Å; G376-F446 VanDerWaalsContact CA-CE1 3.43Å
377	R	96.3	Very high	95.7	Very high	55 Å²	55	43.1 Å²	43.1	21%	0.208	20%	0.195	C	C	.	.	H	α-helix	trans	-67.5	-39.6	176.2	-167.6	177.5	-179.6	-160.2	-5.3	112.1	Y373 F374 A375 T381 G449 R453 F455	Y373-R377 PolarHBondContact O-N 2.96Å; Y373-R377 VanDerWaalsContact O-N 3.09Å; F374-R377 PolarHBondContact O-N 3.17Å; A375-R377 PolarHBondContact O-N 3.11Å; R377-T381 PolarHBondContact O-N 3.3Å; R377-T381 VanDerWaalsContact O-N 3.16Å; R377-T381 PolarHBondContact O-OG1 2.93Å; R377-G449 WeakPolarHBondContact CA-O 3.32Å; R377-R453 PolarHBondContact NE-O 3.22Å; R377-F455 HydrophobicContact CB-CE2 4.17Å; R377-F455 HydrophobicContact CB-CZ 4.49Å; R377-F455 HydrophobicContact CG-CD2 4.16Å; R377-F455 HydrophobicContact CG-CE2 3.77Å; R377-F455 HydrophobicContact CG-CZ 4Å; R377-F455 VanDerWaalsContact NH1-CE1 3.26Å
378	L	95.6	Very high	95.7	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-64.8	-46.7	174.6	-177.3	61.8	0	0	0	111.2	F322 F326 F374 A375 K380 T381 L382 W546 F603	F322-L378 HydrophobicContact CD1-CD2 4.46Å; F322-L378 HydrophobicContact CE1-CD2 4.1Å; F326-L378 HydrophobicContact CB-CD2 4.15Å; F326-L378 HydrophobicContact CD1-CB 4.32Å; F326-L378 HydrophobicContact CD1-CD2 3.36Å; F326-L378 HydrophobicContact CD1-CG 4.48Å; F326-L378 HydrophobicContact CD2-CD2 4.3Å; F326-L378 HydrophobicContact CE1-CB 4.19Å; F326-L378 HydrophobicContact CE1-CD2 3.74Å; F326-L378 HydrophobicContact CG-CD2 3.66Å; F326-L378 HydrophobicContact CZ-CD2 4.37Å; F374-L378 WeakPolarHBondContact O-CB 3.4Å; F374-L378 PolarHBondContact O-N 3.48Å; A375-L378 PolarHBondContact O-N 3.03Å; L378-K380 VanDerWaalsContact C-N 3.27Å; L378-K380 PolarHBondContact O-N 2.74Å; L378-T381 WeakPolarHBondContact O-CA 3.35Å; L378-T381 VanDerWaalsContact O-CB 3.26Å; L378-T381 WeakPolarHBondContact O-CB 3.2Å; L378-T381 PolarHBondContact O-N 3.35Å; L378-L382 HydrophobicContact CD1-CD1 4.24Å; L378-L382 HydrophobicContact CD1-CG 4.47Å; L378-L382 HydrophobicContact CG-CD1 4Å; L378-L382 WeakPolarHBondContact O-CG 3.45Å; L378-L382 PolarHBondContact O-N 3.43Å; L378-W546 HydrophobicContact CD1-CZ3 4.15Å; L378-F603 HydrophobicContact CD1-CZ 4.16Å; L378-F603 HydrophobicContact CD2-CE1 3.87Å; L378-F603 HydrophobicContact CD2-CZ 4.09Å
379	Y	96.7	Very high	95.6	Very high	5 Å²	5	50.6 Å²	50.6	2%	0.02	23%	0.234	C	C	.	.	H	α-helix	trans	-60.9	-36.5	-179.7	-165.3	-113.1	0	0	0	112.6	T319 R320 T323 A375 G376 L382 R383 G384 F386 W387 T390 F446 Y450	T319-Y379 HydrophobicContact CG2-CD2 4.26Å; T319-Y379 HydrophobicContact CG2-CE2 4.19Å; R320-Y379 HydrophobicContact CG-CE2 4.08Å; T323-Y379 HydrophobicContact CG2-CD2 4.26Å; T323-Y379 HydrophobicContact CG2-CG 4.44Å; A375-Y379 WeakPolarHBondContact O-CB 3.42Å; A375-Y379 PolarHBondContact O-N 2.85Å; G376-Y379 PolarHBondContact O-N 3.49Å; Y379-L382 CarbonylContact O-C 3.51Å; Y379-L382 PolarHBondContact O-N 2.86Å; Y379-R383 PolarHBondContact O-N 3.22Å; Y379-G384 VanDerWaalsContact CE1-C 3.42Å; Y379-G384 VanDerWaalsContact CE1-CA 3.47Å; Y379-G384 WeakPolarHBondContact CE1-O 3.25Å; Y379-G384 VanDerWaalsContact CZ-CA 3.43Å; Y379-G384 PolarHBondContact O-N 2.84Å; Y379-G384 VanDerWaalsContact O-N 3.08Å; Y379-F386 PolarHBondContact OH-N 2.95Å; Y379-W387 HydrophobicContact CD1-CB 4Å; Y379-W387 HydrophobicContact CE1-CB 4.05Å; Y379-T390 HydrophobicContact CD2-CG2 3.88Å; Y379-T390 HydrophobicContact CE2-CG2 3.99Å; Y379-T390 WeakPolarHBondContact CE2-OG1 3.38Å; Y379-T390 HydrophobicContact CG-CG2 4.22Å; Y379-T390 PolarHBondContact OH-OG1 3.07Å; Y379-F446 HydrophobicContact CD1-CE1 4.32Å; Y379-F446 HydrophobicContact CD1-CZ 4.21Å; Y379-F446 HydrophobicContact CG-CZ 4.1Å; Y379-Y450 HydrophobicContact CD1-CD2 4.3Å; Y379-Y450 AromaticContact CD1-CE2 3.96Å; Y379-Y450 HydrophobicContact CD1-CE2 3.96Å
380	K	95.3	Very high	95.6	Very high	70 Å²	70	47.1 Å²	47.1	30%	0.304	22%	0.216	S	C	.	.	H	α-helix	trans	-64.1	-44	172.4	-165.8	-170.6	-162.8	153.3	0	112.1	G376 L378 L382 R383 Y450 R451 K452	G376-K380 PolarHBondContact O-N 2.72Å; G376-K380 VanDerWaalsContact O-N 3.07Å; L378-K380 VanDerWaalsContact C-N 3.27Å; L378-K380 PolarHBondContact O-N 2.74Å; K380-L382 PolarHBondContact O-N 3.3Å; K380-R383 PolarHBondContact O-N 3.41Å; K380-Y450 HydrophobicContact CB-CD2 3.77Å; K380-Y450 HydrophobicContact CB-CE2 3.93Å; K380-Y450 HydrophobicContact CB-CG 4.48Å; K380-Y450 WeakPolarHBondContact CD-O 3.39Å; K380-Y450 VanDerWaalsContact CE-O 3.24Å; K380-Y450 WeakPolarHBondContact CE-O 3.37Å; K380-Y450 HydrophobicContact CG-CD2 4.29Å; K380-Y450 HydrophobicContact CG-CE2 4.2Å; K380-Y450 PolarHBondContact NZ-O 3.27Å; K380-R451 PolarHBondContact NZ-O 3.42Å; K380-K452 WeakPolarHBondContact CD-O 3.33Å; K380-K452 WeakPolarHBondContact CE-O 3.47Å; K380-K452 PolarHBondContact NZ-O 3.28Å
381	T	93	Very high	95.6	Very high	10 Å²	10	43 Å²	43	6%	0.061	20%	0.198	C	C	.	.	H	α-helix	trans	-57.1	-37.7	175.6	-51.7	0	0	0	0	111.3	R377 L378 R383 F455 Q457	R377-T381 PolarHBondContact O-N 3.3Å; R377-T381 VanDerWaalsContact O-N 3.16Å; R377-T381 PolarHBondContact O-OG1 2.93Å; L378-T381 WeakPolarHBondContact O-CA 3.35Å; L378-T381 VanDerWaalsContact O-CB 3.26Å; L378-T381 WeakPolarHBondContact O-CB 3.2Å; L378-T381 PolarHBondContact O-N 3.35Å; T381-R383 PolarHBondContact O-N 3.02Å; T381-F455 HydrophobicContact CG2-CB 4.07Å; T381-F455 WeakPolarHBondContact OG1-CD2 3.4Å; T381-F455 PolarHBondContact OG1-N 2.92Å; T381-Q457 HydrophobicContact CG2-CG 4.27Å
382	L	92.8	Very high	95.6	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.026	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	10.2	178.5	-55.9	170.1	0	0	0	113.8	P315 T319 F322 L378 Y379 K380 G384 W546	P315-L382 HydrophobicContact CB-CB 4.4Å; P315-L382 HydrophobicContact CB-CD2 4.45Å; T319-L382 HydrophobicContact CG2-CB 3.53Å; T319-L382 HydrophobicContact CG2-CD1 3.55Å; T319-L382 HydrophobicContact CG2-CG 4.12Å; F322-L382 HydrophobicContact CD1-CD1 4.43Å; L378-L382 HydrophobicContact CD1-CD1 4.24Å; L378-L382 HydrophobicContact CD1-CG 4.47Å; L378-L382 HydrophobicContact CG-CD1 4Å; L378-L382 WeakPolarHBondContact O-CG 3.45Å; L378-L382 PolarHBondContact O-N 3.43Å; Y379-L382 CarbonylContact O-C 3.51Å; Y379-L382 PolarHBondContact O-N 2.86Å; K380-L382 PolarHBondContact O-N 3.3Å; L382-G384 PolarHBondContact O-N 2.85Å; L382-W546 HydrophobicContact CD1-CZ3 4.47Å; L382-W546 HydrophobicContact CD2-CE3 4.3Å; L382-W546 HydrophobicContact CD2-CH2 3.46Å; L382-W546 VanDerWaalsContact CD2-CH2 3.46Å; L382-W546 HydrophobicContact CD2-CZ2 3.88Å; L382-W546 HydrophobicContact CD2-CZ3 3.69Å
383	R	91.7	Very high	95.6	Very high	170 Å²	170	47.4 Å²	47.4	64%	0.642	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	35.4	178.8	-54.9	-178.4	-175.3	169	4.6	113.5	Y379 K380 T381	Y379-R383 PolarHBondContact O-N 3.22Å; K380-R383 PolarHBondContact O-N 3.41Å; T381-R383 PolarHBondContact O-N 3.02Å
384	G	90.8	Very high	95.5	Very high	4 Å²	4	44.7 Å²	44.7	4%	0.041	22%	0.218	C	C	.	.			trans	-71.9	126.1	180	0	0	0	0	0	113.1	Y379 L382 Y450	Y379-G384 VanDerWaalsContact CE1-C 3.42Å; Y379-G384 VanDerWaalsContact CE1-CA 3.47Å; Y379-G384 WeakPolarHBondContact CE1-O 3.25Å; Y379-G384 VanDerWaalsContact CZ-CA 3.43Å; Y379-G384 PolarHBondContact O-N 2.84Å; Y379-G384 VanDerWaalsContact O-N 3.08Å; L382-G384 PolarHBondContact O-N 2.85Å; G384-Y450 PolarHBondContact O-OH 2.97Å
385	P	91.6	Very high	95.5	Very high	93 Å²	93	41.8 Å²	41.8	60%	0.604	21%	0.206	S	C	*	.	S	Bend	trans	-80	-34.8	-177.4	28.3	-32.9	0	0	0	113.6	W387	P385-W387 PolarHBondContact O-N 2.73Å
386	F	94.3	Very high	95.5	Very high	138 Å²	138	45 Å²	45	61%	0.605	22%	0.222	S	C	*	.			trans	-95.8	56.4	-170	-56.9	-64.8	0	0	0	113.1	Y379 K388 S389 T390	Y379-F386 PolarHBondContact OH-N 2.95Å; F386-K388 VanDerWaalsContact C-N 3.32Å; F386-K388 PolarHBondContact O-N 2.83Å; F386-S389 PolarHBondContact O-N 3.5Å; F386-T390 PolarHBondContact O-N 3.45Å; F386-T390 PolarHBondContact O-OG1 3.41Å
387	W	94.5	Very high	95.4	Very high	48 Å²	48	46.6 Å²	46.6	18%	0.182	23%	0.231	C	C	.	.	H	α-helix	trans	-61.4	-36.1	-171.5	72.1	-95.4	0	0	0	113.7	Y379 P385 T390 A391 Y443 F446 F447 Y450	Y379-W387 HydrophobicContact CD1-CB 4Å; Y379-W387 HydrophobicContact CE1-CB 4.05Å; P385-W387 PolarHBondContact O-N 2.73Å; W387-T390 PolarHBondContact O-N 2.91Å; W387-A391 WeakPolarHBondContact O-CB 3.35Å; W387-A391 PolarHBondContact O-N 2.72Å; W387-Y443 HydrophobicContact CH2-CE1 4.4Å; W387-Y443 HydrophobicContact CZ3-CE1 4.31Å; W387-Y443 HydrophobicContact CZ3-CE2 4.47Å; W387-Y443 AromaticContact CZ3-CZ 3.98Å; W387-F446 HydrophobicContact CB-CE1 4.04Å; W387-F446 HydrophobicContact CE3-CD1 4.19Å; W387-F447 AromaticContact CH2-CD2 3.73Å; W387-F447 HydrophobicContact CH2-CD2 3.73Å; W387-F447 HydrophobicContact CH2-CE2 4.49Å; W387-F447 HydrophobicContact CZ2-CD2 4.42Å; W387-F447 HydrophobicContact CZ3-CB 4.37Å; W387-F447 HydrophobicContact CZ3-CD2 4.24Å; W387-Y450 HydrophobicContact CB-CD1 4.26Å; W387-Y450 HydrophobicContact CB-CD2 3.75Å; W387-Y450 HydrophobicContact CB-CE1 4.18Å; W387-Y450 HydrophobicContact CB-CE2 3.65Å; W387-Y450 HydrophobicContact CB-CG 4.05Å; W387-Y450 AromaticContact CD1-CE1 3.66Å; W387-Y450 AromaticContact CD1-CZ 3.93Å; W387-Y450 HydrophobicContact CD2-CD1 4.37Å; W387-Y450 AromaticContact CG-CD1 3.98Å; W387-Y450 HydrophobicContact CG-CD1 3.98Å; W387-Y450 HydrophobicContact CG-CD2 4.35Å; W387-Y450 AromaticContact CG-CE1 3.94Å; W387-Y450 HydrophobicContact CG-CE1 3.94Å; W387-Y450 HydrophobicContact CG-CE2 4.3Å; W387-Y450 HydrophobicContact CG-CG 4.19Å
388	K	96.7	Very high	95.4	Very high	124 Å²	124	44.6 Å²	44.6	54%	0.539	22%	0.224	S	C	.	.	H	α-helix	trans	-62.1	-45.8	179.2	-62.9	-175.6	-179.3	179.8	0	112.3	F386 A391 V392	F386-K388 VanDerWaalsContact C-N 3.32Å; F386-K388 PolarHBondContact O-N 2.83Å; K388-A391 PolarHBondContact O-N 3.34Å; K388-V392 PolarHBondContact O-N 2.79Å
389	S	96.4	Very high	95.4	Very high	58 Å²	58	45.2 Å²	45.2	41%	0.406	23%	0.227	S	C	.	.	H	α-helix	trans	-67.2	-39.7	178.8	171.5	0	0	0	0	111	F386 V392 A393	F386-S389 PolarHBondContact O-N 3.5Å; S389-V392 PolarHBondContact O-N 3.37Å; S389-A393 WeakPolarHBondContact O-CB 3.44Å; S389-A393 PolarHBondContact O-N 2.99Å
390	T	97.2	Very high	95.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.3	-40.6	176.1	-52.2	0	0	0	0	111.7	R320 T323 Y379 F386 W387 V392 A393 T394 F446	R320-T390 WeakPolarHBondContact CG-OG1 3.35Å; T323-T390 HydrophobicContact CG2-CG2 4.25Å; Y379-T390 HydrophobicContact CD2-CG2 3.88Å; Y379-T390 HydrophobicContact CE2-CG2 3.99Å; Y379-T390 WeakPolarHBondContact CE2-OG1 3.38Å; Y379-T390 HydrophobicContact CG-CG2 4.22Å; Y379-T390 PolarHBondContact OH-OG1 3.07Å; F386-T390 PolarHBondContact O-N 3.45Å; F386-T390 PolarHBondContact O-OG1 3.41Å; W387-T390 PolarHBondContact O-N 2.91Å; T390-V392 VanDerWaalsContact C-N 3.34Å; T390-V392 PolarHBondContact O-N 3.41Å; T390-A393 PolarHBondContact O-N 3.43Å; T390-T394 PolarHBondContact O-N 3.48Å; T390-T394 PolarHBondContact O-OG1 3.39Å; T390-F446 HydrophobicContact CG2-CE2 4.06Å; T390-F446 HydrophobicContact CG2-CZ 3.81Å
391	A	97.6	Very high	95.5	Very high	2 Å²	2	44.9 Å²	44.9	2%	0.017	23%	0.233	C	C	.	.	H	α-helix	trans	-58.6	-45.3	176.6	0	0	0	0	0	112.2	W387 K388 T394 G395 Y443 F446	W387-A391 WeakPolarHBondContact O-CB 3.35Å; W387-A391 PolarHBondContact O-N 2.72Å; K388-A391 PolarHBondContact O-N 3.34Å; A391-T394 PolarHBondContact O-N 3.3Å; A391-G395 PolarHBondContact O-N 3.01Å; A391-Y443 HydrophobicContact CB-CD2 3.92Å; A391-Y443 HydrophobicContact CB-CE2 4.33Å; A391-F446 HydrophobicContact CB-CB 3.72Å; A391-F446 HydrophobicContact CB-CD1 3.85Å; A391-F446 HydrophobicContact CB-CD2 3.77Å; A391-F446 HydrophobicContact CB-CE1 4.39Å; A391-F446 HydrophobicContact CB-CE2 4.31Å; A391-F446 HydrophobicContact CB-CG 3.51Å
392	V	97.9	Very high	95.7	Very high	57 Å²	57	47.2 Å²	47.2	35%	0.345	25%	0.247	S	C	.	.	H	α-helix	trans	-65.7	-42.3	175.5	176	0	0	0	0	111	K388 S389 T390 T394 G395 L396 Y443	K388-V392 PolarHBondContact O-N 2.79Å; S389-V392 PolarHBondContact O-N 3.37Å; T390-V392 VanDerWaalsContact C-N 3.34Å; T390-V392 PolarHBondContact O-N 3.41Å; V392-T394 VanDerWaalsContact C-N 3.34Å; V392-T394 PolarHBondContact O-N 3.2Å; V392-G395 PolarHBondContact O-N 2.91Å; V392-G395 VanDerWaalsContact O-N 3.16Å; V392-L396 HydrophobicContact CG1-CD1 3.61Å; V392-L396 HydrophobicContact CG1-CG 4.17Å; V392-L396 WeakPolarHBondContact O-CB 3.44Å; V392-L396 WeakPolarHBondContact O-CG 3.47Å; V392-L396 PolarHBondContact O-N 3.32Å; V392-Y443 HydrophobicContact CG2-CD2 4.33Å
393	A	97.3	Very high	95.8	Very high	37 Å²	37	49.3 Å²	49.3	31%	0.306	26%	0.259	S	S	.	.	H	α-helix	trans	-61.3	-39.8	176.5	0	0	0	0	0	112.5	A324 S389 T390 G395 L396 L397	A324-A393 HydrophobicContact CB-CB 4.46Å; S389-A393 WeakPolarHBondContact O-CB 3.44Å; S389-A393 PolarHBondContact O-N 2.99Å; T390-A393 PolarHBondContact O-N 3.43Å; A393-G395 VanDerWaalsContact C-N 3.31Å; A393-G395 PolarHBondContact O-N 3.22Å; A393-L396 PolarHBondContact O-N 2.92Å; A393-L397 VanDerWaalsContact O-CB 3.31Å; A393-L397 WeakPolarHBondContact O-CB 3.42Å; A393-L397 PolarHBondContact O-N 3.27Å
394	T	97.5	Very high	96	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.6	-43.1	173.8	-57.9	0	0	0	0	111.4	A324 A375 T390 A391 V392 I442	A324-T394 WeakPolarHBondContact CA-OG1 3.33Å; A375-T394 HydrophobicContact CB-CG2 4.27Å; T390-T394 PolarHBondContact O-N 3.48Å; T390-T394 PolarHBondContact O-OG1 3.39Å; A391-T394 PolarHBondContact O-N 3.3Å; V392-T394 VanDerWaalsContact C-N 3.34Å; V392-T394 PolarHBondContact O-N 3.2Å; T394-I442 HydrophobicContact CG2-CG2 4.16Å
395	G	96.9	Very high	96.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-76.6	-17.2	179.3	0	0	0	0	0	115.3	A391 V392 A393 W434	A391-G395 PolarHBondContact O-N 3.01Å; V392-G395 PolarHBondContact O-N 2.91Å; V392-G395 VanDerWaalsContact O-N 3.16Å; A393-G395 VanDerWaalsContact C-N 3.31Å; A393-G395 PolarHBondContact O-N 3.22Å; G395-W434 PolarHBondContact O-NE1 3.37Å
396	L	97	Very high	96.4	Very high	66 Å²	66	45 Å²	45	35%	0.346	25%	0.247	S	C	.	.	H	α-helix	trans	-102	-29.3	-177.5	-69.8	179.9	0	0	0	114.6	V392 A393 G400 W434 L435 L439	V392-L396 HydrophobicContact CG1-CD1 3.61Å; V392-L396 HydrophobicContact CG1-CG 4.17Å; V392-L396 WeakPolarHBondContact O-CB 3.44Å; V392-L396 WeakPolarHBondContact O-CG 3.47Å; V392-L396 PolarHBondContact O-N 3.32Å; A393-L396 PolarHBondContact O-N 2.92Å; L396-G400 VanDerWaalsContact O-CA 3.25Å; L396-G400 WeakPolarHBondContact O-CA 3.34Å; L396-G400 PolarHBondContact O-N 3.1Å; L396-W434 HydrophobicContact CD2-CH2 4.13Å; L396-W434 HydrophobicContact CD2-CZ2 3.46Å; L396-W434 VanDerWaalsContact CD2-CZ2 3.46Å; L396-L435 HydrophobicContact CD2-CD2 4.32Å; L396-L439 HydrophobicContact CD2-CD1 3.61Å; L396-L439 HydrophobicContact CG-CD1 4Å
397	L	95.8	Very high	96.4	Very high	35 Å²	35	41.6 Å²	41.6	18%	0.183	24%	0.236	C	C	.	.	H	α-helix	trans	-60.6	-63.5	-169	-172.7	165	0	0	0	112.2	L321 A324 L325 A393 G400 I401	L321-L397 HydrophobicContact CD1-CD1 3.59Å; A324-L397 HydrophobicContact CB-CD1 3.82Å; L325-L397 HydrophobicContact CD2-CD1 3.98Å; L325-L397 HydrophobicContact CD2-CD2 3.7Å; L325-L397 HydrophobicContact CG-CD1 4.07Å; A393-L397 VanDerWaalsContact O-CB 3.31Å; A393-L397 WeakPolarHBondContact O-CB 3.42Å; A393-L397 PolarHBondContact O-N 3.27Å; L397-G400 PolarHBondContact O-N 3.41Å; L397-I401 HydrophobicContact CD2-CD1 3.76Å; L397-I401 WeakPolarHBondContact O-CG1 3.31Å; L397-I401 PolarHBondContact O-N 3.38Å; L397-I401 VanDerWaalsContact O-N 3.11Å
398	F	96.9	Very high	96.5	Very high	13 Å²	13	42.9 Å²	42.9	6%	0.057	25%	0.249	C	C	.	.	H	α-helix	trans	-71.7	-50	-174	174.4	-98.9	0	0	0	112.8	L332 Y364 G400 I401 V402 T593 I596	L332-F398 HydrophobicContact CD1-CD2 4.43Å; L332-F398 HydrophobicContact CD1-CE1 4.33Å; L332-F398 HydrophobicContact CD1-CE2 4.1Å; L332-F398 HydrophobicContact CD1-CZ 4.04Å; L332-F398 HydrophobicContact CD2-CE1 3.74Å; L332-F398 HydrophobicContact CD2-CZ 3.84Å; L332-F398 HydrophobicContact CG-CE1 4.34Å; L332-F398 HydrophobicContact CG-CZ 4.44Å; Y364-F398 HydrophobicContact CE2-CD1 4.24Å; Y364-F398 HydrophobicContact CE2-CE1 4.23Å; Y364-F398 AromaticContact CZ-CD1 3.97Å; Y364-F398 WeakPolarHBondContact OH-CD1 3.43Å; F398-G400 PolarHBondContact O-N 2.97Å; F398-I401 WeakPolarHBondContact O-CB 3.22Å; F398-I401 PolarHBondContact O-N 3.45Å; F398-I401 VanDerWaalsContact O-N 3.09Å; F398-V402 HydrophobicContact CD1-CG2 4.38Å; F398-V402 HydrophobicContact CE1-CG2 3.91Å; F398-V402 HydrophobicContact CE2-CG2 4.14Å; F398-V402 HydrophobicContact CZ-CG2 3.79Å; F398-V402 PolarHBondContact O-N 3.29Å; F398-T593 HydrophobicContact CE2-CG2 4.36Å; F398-T593 WeakPolarHBondContact CE2-OG1 3.25Å; F398-T593 HydrophobicContact CZ-CG2 4.02Å; F398-T593 WeakPolarHBondContact CZ-OG1 3.34Å; F398-I596 HydrophobicContact CD2-CD1 3.58Å; F398-I596 HydrophobicContact CE2-CD1 4.21Å; F398-I596 HydrophobicContact CG-CD1 4.43Å
399	P	96.3	Very high	96.4	Very high	14 Å²	14	37.2 Å²	37.2	9%	0.091	22%	0.224	C	C	.	.	H	α-helix	trans	-60	-31.3	174.7	-25.5	36.3	0	0	0	113.3	Y364 V402 L403 W434	Y364-P399 HydrophobicContact CE1-CG 4.08Å; Y364-P399 VanDerWaalsContact OH-CG 3.31Å; Y364-P399 WeakPolarHBondContact OH-CG 3.48Å; P399-V402 PolarHBondContact O-N 3.22Å; P399-L403 WeakPolarHBondContact O-CB 3.26Å; P399-L403 PolarHBondContact O-N 3.1Å; P399-W434 HydrophobicContact CB-CD2 3.96Å; P399-W434 VanDerWaalsContact CB-CE2 3.41Å; P399-W434 HydrophobicContact CB-CG 4.3Å; P399-W434 HydrophobicContact CB-CH2 4.37Å; P399-W434 HydrophobicContact CB-CZ2 3.63Å
400	G	96.8	Very high	96.3	Very high	19 Å²	19	35.7 Å²	35.7	20%	0.196	21%	0.211	C	C	.	.	H	α-helix	trans	-65	-41.6	173.9	0	0	0	0	0	112.7	L396 L397 F398 L403 V404	L396-G400 VanDerWaalsContact O-CA 3.25Å; L396-G400 WeakPolarHBondContact O-CA 3.34Å; L396-G400 PolarHBondContact O-N 3.1Å; L397-G400 PolarHBondContact O-N 3.41Å; F398-G400 PolarHBondContact O-N 2.97Å; G400-L403 PolarHBondContact O-N 3.48Å; G400-V404 WeakPolarHBondContact O-CG2 3.38Å; G400-V404 PolarHBondContact O-N 3.18Å
401	I	97.1	Very high	96.3	Very high	50 Å²	50	39.9 Å²	39.9	26%	0.256	24%	0.237	S	C	.	.	H	α-helix	trans	-60.7	-48.2	172.1	-66.7	167.3	0	0	0	110	L397 F398 L403 V404 F405 L589 I592	L397-I401 HydrophobicContact CD2-CD1 3.76Å; L397-I401 WeakPolarHBondContact O-CG1 3.31Å; L397-I401 PolarHBondContact O-N 3.38Å; L397-I401 VanDerWaalsContact O-N 3.11Å; F398-I401 WeakPolarHBondContact O-CB 3.22Å; F398-I401 PolarHBondContact O-N 3.45Å; F398-I401 VanDerWaalsContact O-N 3.09Å; I401-L403 VanDerWaalsContact C-N 3.32Å; I401-L403 PolarHBondContact O-N 3.41Å; I401-V404 PolarHBondContact O-N 2.96Å; I401-F405 HydrophobicContact CG2-CD2 3.89Å; I401-F405 HydrophobicContact CG2-CE2 4.01Å; I401-F405 WeakPolarHBondContact O-CD2 3.47Å; I401-F405 PolarHBondContact O-N 3.2Å; I401-F405 VanDerWaalsContact O-N 3.1Å; I401-L589 HydrophobicContact CG2-CD2 4.23Å; I401-I592 HydrophobicContact CG2-CD1 4.15Å
402	V	96.3	Very high	96.1	Very high	58 Å²	58	42.9 Å²	42.9	35%	0.352	25%	0.25	S	C	.	.	H	α-helix	trans	-59.7	-42.4	178.7	176.1	0	0	0	0	111.3	F398 P399 G406 L589	F398-V402 HydrophobicContact CD1-CG2 4.38Å; F398-V402 HydrophobicContact CE1-CG2 3.91Å; F398-V402 HydrophobicContact CE2-CG2 4.14Å; F398-V402 HydrophobicContact CZ-CG2 3.79Å; F398-V402 PolarHBondContact O-N 3.29Å; P399-V402 PolarHBondContact O-N 3.22Å; V402-G406 WeakPolarHBondContact O-CA 3.46Å; V402-G406 PolarHBondContact O-N 3.41Å; V402-L589 HydrophobicContact CG2-CD2 4.38Å
403	L	95.9	Very high	95.9	Very high	50 Å²	50	40.4 Å²	40.4	26%	0.262	23%	0.234	S	C	.	.	H	α-helix	trans	-62.8	-46.5	177.5	-179.1	70.3	0	0	0	111.6	P399 G400 I401 G406 L407 L427 L431 W434	P399-L403 WeakPolarHBondContact O-CB 3.26Å; P399-L403 PolarHBondContact O-N 3.1Å; G400-L403 PolarHBondContact O-N 3.48Å; I401-L403 VanDerWaalsContact C-N 3.32Å; I401-L403 PolarHBondContact O-N 3.41Å; L403-G406 PolarHBondContact O-N 3.1Å; L403-L407 HydrophobicContact CD1-CD1 3.98Å; L403-L407 HydrophobicContact CD1-CD2 4.43Å; L403-L407 HydrophobicContact CD1-CG 3.96Å; L403-L407 HydrophobicContact CD2-CD1 4.34Å; L403-L407 HydrophobicContact CG-CD1 3.84Å; L403-L407 HydrophobicContact CG-CG 4.19Å; L403-L407 WeakPolarHBondContact O-CB 3.49Å; L403-L407 VanDerWaalsContact O-CG 3.24Å; L403-L407 WeakPolarHBondContact O-CG 3.45Å; L403-L407 PolarHBondContact O-N 3.09Å; L403-L427 HydrophobicContact CD1-CD1 4.11Å; L403-L431 HydrophobicContact CD1-CD2 4.17Å; L403-L431 HydrophobicContact CD2-CD2 4.1Å; L403-W434 HydrophobicContact CB-CZ3 4.45Å; L403-W434 HydrophobicContact CD2-CH2 4.46Å; L403-W434 HydrophobicContact CD2-CZ3 3.83Å
404	V	95.9	Very high	95.8	Very high	90 Å²	90	47.5 Å²	47.5	55%	0.545	25%	0.253	S	S	.	.	H	α-helix	trans	-61.9	-51	-178.6	170.6	0	0	0	0	110.9	G400 I401 G406 L407 V408	G400-V404 WeakPolarHBondContact O-CG2 3.38Å; G400-V404 PolarHBondContact O-N 3.18Å; I401-V404 PolarHBondContact O-N 2.96Å; V404-G406 VanDerWaalsContact C-N 3.34Å; V404-G406 PolarHBondContact O-N 2.82Å; V404-L407 PolarHBondContact O-N 2.91Å; V404-V408 WeakPolarHBondContact O-CG2 3.49Å; V404-V408 PolarHBondContact O-N 3.49Å; V404-V408 VanDerWaalsContact O-N 3.14Å
405	F	95.5	Very high	95.5	Very high	62 Å²	62	56.1 Å²	56.1	27%	0.272	29%	0.287	S	S	.	.	H	α-helix	trans	-63.1	-42.6	176.6	-83.8	-96.7	0	0	0	111.6	I401 L407 V408 I409 I588 L589 I592	I401-F405 HydrophobicContact CG2-CD2 3.89Å; I401-F405 HydrophobicContact CG2-CE2 4.01Å; I401-F405 WeakPolarHBondContact O-CD2 3.47Å; I401-F405 PolarHBondContact O-N 3.2Å; I401-F405 VanDerWaalsContact O-N 3.1Å; F405-L407 PolarHBondContact O-N 3.34Å; F405-V408 PolarHBondContact O-N 3.15Å; F405-I409 WeakPolarHBondContact O-CB 3.43Å; F405-I409 VanDerWaalsContact O-CG1 3.27Å; F405-I409 WeakPolarHBondContact O-CG1 3.49Å; F405-I409 PolarHBondContact O-N 2.88Å; F405-I588 HydrophobicContact CE1-CB 4.09Å; F405-I588 HydrophobicContact CE1-CD1 4.36Å; F405-I588 HydrophobicContact CE1-CG2 3.6Å; F405-I588 HydrophobicContact CZ-CG2 3.65Å; F405-L589 HydrophobicContact CB-CD1 3.68Å; F405-L589 HydrophobicContact CB-CD2 3.76Å; F405-L589 HydrophobicContact CB-CG 3.78Å; F405-L589 HydrophobicContact CD1-CD2 4.48Å; F405-L589 HydrophobicContact CD1-CG 4.22Å; F405-L589 HydrophobicContact CD2-CD2 3.99Å; F405-L589 HydrophobicContact CG-CD1 4.41Å; F405-L589 HydrophobicContact CG-CD2 3.83Å; F405-L589 HydrophobicContact CG-CG 3.96Å; F405-I592 HydrophobicContact CE2-CD1 4.39Å; F405-I592 HydrophobicContact CZ-CD1 4.5Å
406	G	94.5	Very high	95.3	Very high	23 Å²	23	59.8 Å²	59.8	24%	0.237	30%	0.303	C	S	.	.	H	α-helix	trans	-60.3	-43.2	178.4	0	0	0	0	0	112.7	V402 L403 V404 N410	V402-G406 WeakPolarHBondContact O-CA 3.46Å; V402-G406 PolarHBondContact O-N 3.41Å; L403-G406 PolarHBondContact O-N 3.1Å; V404-G406 VanDerWaalsContact C-N 3.34Å; V404-G406 PolarHBondContact O-N 2.82Å; G406-N410 WeakPolarHBondContact O-CB 3.34Å; G406-N410 PolarHBondContact O-N 3.04Å
407	L	95.3	Very high	95	Very high	68 Å²	68	58.6 Å²	58.6	36%	0.356	31%	0.307	S	S	.	.	H	α-helix	trans	-66.7	-41.2	177.1	-73.1	175.2	0	0	0	112.3	L403 V404 F405 N410 T411 L427	L403-L407 HydrophobicContact CD1-CD1 3.98Å; L403-L407 HydrophobicContact CD1-CD2 4.43Å; L403-L407 HydrophobicContact CD1-CG 3.96Å; L403-L407 HydrophobicContact CD2-CD1 4.34Å; L403-L407 HydrophobicContact CG-CD1 3.84Å; L403-L407 HydrophobicContact CG-CG 4.19Å; L403-L407 WeakPolarHBondContact O-CB 3.49Å; L403-L407 VanDerWaalsContact O-CG 3.24Å; L403-L407 WeakPolarHBondContact O-CG 3.45Å; L403-L407 PolarHBondContact O-N 3.09Å; V404-L407 PolarHBondContact O-N 2.91Å; F405-L407 PolarHBondContact O-N 3.34Å; L407-N410 PolarHBondContact O-N 3.31Å; L407-T411 WeakPolarHBondContact O-CB 3.28Å; L407-T411 PolarHBondContact O-N 2.88Å; L407-T411 PolarHBondContact O-OG1 2.92Å; L407-L427 HydrophobicContact CD2-CD1 4.07Å; L407-L427 HydrophobicContact CD2-CD2 3.76Å
408	V	95.5	Very high	94.9	Very high	75 Å²	75	57.2 Å²	57.2	46%	0.455	30%	0.3	S	S	.	.	H	α-helix	trans	-61.6	-52	175.9	172.6	0	0	0	0	110	V404 F405 N410 T411 F412	V404-V408 WeakPolarHBondContact O-CG2 3.49Å; V404-V408 PolarHBondContact O-N 3.49Å; V404-V408 VanDerWaalsContact O-N 3.14Å; F405-V408 PolarHBondContact O-N 3.15Å; V408-N410 PolarHBondContact O-N 3.21Å; V408-T411 WeakPolarHBondContact O-CB 3.26Å; V408-T411 PolarHBondContact O-N 3.41Å; V408-F412 HydrophobicContact CG1-CD2 4.28Å; V408-F412 HydrophobicContact CG1-CE2 3.9Å; V408-F412 WeakPolarHBondContact O-CD2 3.29Å; V408-F412 PolarHBondContact O-N 3.44Å
409	I	95.1	Very high	94.6	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-60.4	-46.3	178.4	-67.1	168.2	0	0	0	110.6	F405 T411 F412 I413 I582 Y586	F405-I409 WeakPolarHBondContact O-CB 3.43Å; F405-I409 VanDerWaalsContact O-CG1 3.27Å; F405-I409 WeakPolarHBondContact O-CG1 3.49Å; F405-I409 PolarHBondContact O-N 2.88Å; I409-T411 PolarHBondContact O-N 3.18Å; I409-F412 PolarHBondContact O-N 3.26Å; I409-F412 VanDerWaalsContact O-N 3.09Å; I409-I413 HydrophobicContact CG2-CD1 3.56Å; I409-I413 HydrophobicContact CG2-CG1 4.14Å; I409-I413 WeakPolarHBondContact O-CG1 3.48Å; I409-I413 PolarHBondContact O-N 3.41Å; I409-I582 HydrophobicContact CG2-CG1 4.24Å; I409-Y586 HydrophobicContact CD1-CD1 4.25Å; I409-Y586 HydrophobicContact CD1-CD2 4.47Å; I409-Y586 HydrophobicContact CD1-CE1 4.26Å; I409-Y586 HydrophobicContact CD1-CG 4.34Å; I409-Y586 HydrophobicContact CG2-CE2 3.95Å
410	N	95.1	Very high	94.3	Very high	26 Å²	26	57 Å²	57	14%	0.139	30%	0.301	C	S	.	.	H	α-helix	trans	-61.5	-33.6	-179.4	-166.8	54.3	0	0	0	112.3	G406 L407 V408 I413 W414 I422	G406-N410 WeakPolarHBondContact O-CB 3.34Å; G406-N410 PolarHBondContact O-N 3.04Å; L407-N410 PolarHBondContact O-N 3.31Å; V408-N410 PolarHBondContact O-N 3.21Å; N410-I413 PolarHBondContact O-N 3.44Å; N410-W414 WeakPolarHBondContact O-CB 3.15Å; N410-W414 PolarHBondContact O-N 2.97Å; N410-I422 PolarHBondContact ND2-O 3.01Å; N410-I422 PolarHBondContact OD1-N 3.39Å
411	T	95.2	Very high	94.2	Very high	88 Å²	88	56.9 Å²	56.9	54%	0.54	30%	0.299	S	S	.	.	H	α-helix	trans	-62.5	-42.5	175.5	-57.1	0	0	0	0	111.3	L407 V408 I409 Y415	L407-T411 WeakPolarHBondContact O-CB 3.28Å; L407-T411 PolarHBondContact O-N 2.88Å; L407-T411 PolarHBondContact O-OG1 2.92Å; V408-T411 WeakPolarHBondContact O-CB 3.26Å; V408-T411 PolarHBondContact O-N 3.41Å; I409-T411 PolarHBondContact O-N 3.18Å; T411-Y415 WeakPolarHBondContact O-CB 3.4Å; T411-Y415 PolarHBondContact O-N 3.02Å
412	F	94.9	Very high	94	Very high	66 Å²	66	56.1 Å²	56.1	29%	0.289	30%	0.295	S	S	.	.	H	α-helix	trans	-71.4	-38.5	176.8	-71.8	-74.1	0	0	0	113.1	V408 I409 Y415 K416 F577 V578 I581	V408-F412 HydrophobicContact CG1-CD2 4.28Å; V408-F412 HydrophobicContact CG1-CE2 3.9Å; V408-F412 WeakPolarHBondContact O-CD2 3.29Å; V408-F412 PolarHBondContact O-N 3.44Å; I409-F412 PolarHBondContact O-N 3.26Å; I409-F412 VanDerWaalsContact O-N 3.09Å; F412-Y415 PolarHBondContact O-N 3.26Å; F412-K416 PolarHBondContact O-N 3.03Å; F412-F577 HydrophobicContact CE1-CE1 4.3Å; F412-V578 HydrophobicContact CB-CG1 4.02Å; F412-V578 HydrophobicContact CD1-CG2 4.3Å; F412-I581 HydrophobicContact CD1-CD1 4.23Å; F412-I581 HydrophobicContact CD2-CD1 4.31Å; F412-I581 HydrophobicContact CD2-CG2 3.93Å; F412-I581 HydrophobicContact CE1-CD1 3.88Å; F412-I581 HydrophobicContact CE2-CD1 3.99Å; F412-I581 HydrophobicContact CE2-CG2 4.17Å; F412-I581 HydrophobicContact CG-CD1 4.44Å; F412-I581 HydrophobicContact CZ-CD1 3.76Å
413	I	93.9	Very high	93.8	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-65.5	-43.7	176.8	-64.8	175.2	0	0	0	110.3	I409 N410 K416 G417 S418 A420 A421 I582	I409-I413 HydrophobicContact CG2-CD1 3.56Å; I409-I413 HydrophobicContact CG2-CG1 4.14Å; I409-I413 WeakPolarHBondContact O-CG1 3.48Å; I409-I413 PolarHBondContact O-N 3.41Å; N410-I413 PolarHBondContact O-N 3.44Å; I413-K416 PolarHBondContact O-N 3.43Å; I413-G417 PolarHBondContact O-N 3.48Å; I413-S418 PolarHBondContact O-N 3.22Å; I413-A420 HydrophobicContact CG2-CB 4.11Å; I413-A421 HydrophobicContact CG2-CB 3.93Å; I413-A421 VanDerWaalsContact CG2-N 3.3Å; I413-I582 HydrophobicContact CD1-CD1 4.23Å; I413-I582 HydrophobicContact CD1-CG1 4.35Å; I413-I582 HydrophobicContact CG1-CD1 3.61Å; I413-I582 HydrophobicContact CG1-CG1 3.99Å
414	W	93.6	Very high	93.6	Very high	186 Å²	186	60.9 Å²	60.9	71%	0.705	31%	0.314	S	S	*	.	H	α-helix	trans	-61.7	-42.6	175.6	178	74.9	0	0	0	111.8	N410 K416 G417 A421	N410-W414 WeakPolarHBondContact O-CB 3.15Å; N410-W414 PolarHBondContact O-N 2.97Å; W414-K416 PolarHBondContact O-N 3.5Å; W414-G417 PolarHBondContact O-N 2.97Å; W414-A421 HydrophobicContact CB-CB 4.32Å
415	Y	93	Very high	93.5	Very high	181 Å²	181	61.4 Å²	61.4	71%	0.71	32%	0.318	S	S	*	.	H	α-helix	trans	-57.3	-35.6	174.9	177.1	-101.8	0	0	0	113	T411 F412 G417	T411-Y415 WeakPolarHBondContact O-CB 3.4Å; T411-Y415 PolarHBondContact O-N 3.02Å; F412-Y415 PolarHBondContact O-N 3.26Å; Y415-G417 VanDerWaalsContact C-N 3.33Å
416	K	91.2	Very high	93.3	Very high	77 Å²	77	58.9 Å²	58.9	34%	0.335	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-7.1	175.4	-76.8	-76.3	-174.3	157.3	0	114	L49 F51 F412 I413 W414 S418 E576 V578	L49-K416 HydrophobicContact CD1-CB 4.1Å; L49-K416 HydrophobicContact CD1-CD 4.41Å; L49-K416 HydrophobicContact CD1-CG 4.05Å; F51-K416 WeakPolarHBondContact CE1-O 3.13Å; F412-K416 PolarHBondContact O-N 3.03Å; I413-K416 PolarHBondContact O-N 3.43Å; W414-K416 PolarHBondContact O-N 3.5Å; K416-S418 VanDerWaalsContact C-N 3.29Å; K416-S418 PolarHBondContact O-N 3.46Å; K416-E576 IonicContact NZ-OE2 2.65Å; K416-E576 PolarHBondContact NZ-OE2 2.98Å; K416-V578 HydrophobicContact CG-CB 4.13Å; K416-V578 HydrophobicContact CG-CG1 3.85Å; K416-V578 HydrophobicContact CG-CG2 4.11Å
417	G	91.2	Very high	93.3	Very high	41 Å²	41	59.3 Å²	59.3	42%	0.423	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	31.8	-177.9	0	0	0	0	0	113.7	F51 I413 W414 Y415	F51-G417 WeakPolarHBondContact CD1-O 3.31Å; F51-G417 WeakPolarHBondContact CE1-O 3.37Å; I413-G417 PolarHBondContact O-N 3.48Å; W414-G417 PolarHBondContact O-N 2.97Å; Y415-G417 VanDerWaalsContact C-N 3.33Å
418	S	93.1	Very high	93.3	Very high	6 Å²	6	60.9 Å²	60.9	4%	0.042	31%	0.313	C	S	.	.			trans	-77	149.1	178.5	165.4	0	0	0	0	111.6	P50 I413 K416 A420 A421	P50-S418 WeakPolarHBondContact CD-OG 3.07Å; P50-S418 CarbonylContact O-C 3.58Å; P50-S418 WeakPolarHBondContact O-CA 3.37Å; P50-S418 VanDerWaalsContact O-CB 3.32Å; P50-S418 WeakPolarHBondContact O-CB 3.39Å; P50-S418 PolarHBondContact O-OG 3.43Å; I413-S418 PolarHBondContact O-N 3.22Å; K416-S418 VanDerWaalsContact C-N 3.29Å; K416-S418 PolarHBondContact O-N 3.46Å; S418-A420 PolarHBondContact O-N 2.88Å; S418-A420 PolarHBondContact OG-N 3.08Å; S418-A421 VanDerWaalsContact O-CB 3.28Å; S418-A421 WeakPolarHBondContact O-CB 3.28Å; S418-A421 PolarHBondContact O-N 2.97Å; S418-A421 VanDerWaalsContact O-N 3.12Å
419	S	92	Very high	93.2	Very high	5 Å²	5	59 Å²	59	4%	0.035	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-18.9	177.5	64.8	0	0	0	0	113.4	P50 F51 G78 R80 A421	P50-S419 VanDerWaalsContact C-OG 3.3Å; P50-S419 WeakPolarHBondContact CB-OG 3.18Å; P50-S419 PolarHBondContact O-N 2.6Å; P50-S419 PolarHBondContact O-OG 3.34Å; F51-S419 PolarHBondContact N-OG 2.93Å; G78-S419 WeakPolarHBondContact CA-O 3.41Å; G78-S419 PolarHBondContact O-OG 3.45Å; R80-S419 PolarHBondContact NH2-O 2.99Å; S419-A421 PolarHBondContact O-N 3.25Å
420	A	90.5	Very high	93.2	Very high	17 Å²	17	60.8 Å²	60.8	14%	0.14	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-5.2	172.6	0	0	0	0	0	113.4	P50 I413 S418 I422	P50-A420 HydrophobicContact CG-CB 3.43Å; P50-A420 VanDerWaalsContact CG-CB 3.43Å; I413-A420 HydrophobicContact CG2-CB 4.11Å; S418-A420 PolarHBondContact O-N 2.88Å; S418-A420 PolarHBondContact OG-N 3.08Å; A420-I422 PolarHBondContact O-N 3.28Å
421	A	93.6	Very high	93.2	Very high	18 Å²	18	61.8 Å²	61.8	15%	0.149	32%	0.319	C	S	.	.	S	Bend	trans	-62.2	121.2	172.9	0	0	0	0	0	108.8	I413 W414 S418 S419 P423	I413-A421 HydrophobicContact CG2-CB 3.93Å; I413-A421 VanDerWaalsContact CG2-N 3.3Å; W414-A421 HydrophobicContact CB-CB 4.32Å; S418-A421 VanDerWaalsContact O-CB 3.28Å; S418-A421 WeakPolarHBondContact O-CB 3.28Å; S418-A421 PolarHBondContact O-N 2.97Å; S418-A421 VanDerWaalsContact O-N 3.12Å; S419-A421 PolarHBondContact O-N 3.25Å; A421-P423 WeakPolarHBondContact O-CD 3.4Å
422	I	92.8	Very high	93.2	Very high	33 Å²	33	60.8 Å²	60.8	17%	0.169	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-72.6	116.9	177.7	-55	175.5	0	0	0	106.9	L76 N410 A420 T426	L76-I422 HydrophobicContact CD2-CD1 3.54Å; L76-I422 HydrophobicContact CD2-CG1 3.88Å; L76-I422 HydrophobicContact CD2-CG2 4.35Å; N410-I422 PolarHBondContact ND2-O 3.01Å; N410-I422 PolarHBondContact OD1-N 3.39Å; A420-I422 PolarHBondContact O-N 3.28Å; I422-T426 HydrophobicContact CG2-CG2 4.43Å
423	P	92.5	Very high	93.2	Very high	52 Å²	52	58.9 Å²	58.9	34%	0.338	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-68.9	154.4	179.7	28.3	-31	0	0	0	110.1	I75 A421 T425 T426 L427	I75-P423 HydrophobicContact CG2-CG 4.06Å; A421-P423 WeakPolarHBondContact O-CD 3.4Å; P423-T425 PolarHBondContact O-N 3.41Å; P423-T426 VanDerWaalsContact CG-OG1 3.31Å; P423-T426 WeakPolarHBondContact CG-OG1 3.36Å; P423-T426 PolarHBondContact O-N 3.06Å; P423-T426 VanDerWaalsContact O-N 3.08Å; P423-L427 PolarHBondContact O-N 3.4Å; P423-L427 VanDerWaalsContact O-N 3.09Å
424	F	92.3	Very high	93.3	Very high	156 Å²	156	60.4 Å²	60.4	68%	0.684	31%	0.314	S	S	*	.	H	α-helix	trans	-57.6	-35.9	-173.9	178.1	-101.9	0	0	0	113.3	L427 L428	F424-L427 WeakPolarHBondContact O-CB 3.25Å; F424-L427 PolarHBondContact O-N 3.32Å; F424-L428 PolarHBondContact O-N 3.18Å
425	T	91.9	Very high	93.5	Very high	101 Å²	101	55.8 Å²	55.8	62%	0.62	30%	0.303	S	S	*	.	H	α-helix	trans	-62.8	-42.2	177.7	50.3	0	0	0	0	112.1	P423 L428 A429	P423-T425 PolarHBondContact O-N 3.41Å; T425-L428 PolarHBondContact O-N 2.98Å; T425-A429 PolarHBondContact O-N 3.45Å
426	T	92.7	Very high	93.6	Very high	9 Å²	9	49.6 Å²	49.6	6%	0.055	29%	0.294	C	S	.	.	H	α-helix	trans	-71.2	-36.1	177.4	-42.4	0	0	0	0	111.3	I72 I75 I422 P423 L428 A429 L430	I72-T426 HydrophobicContact CG2-CG2 4.34Å; I75-T426 HydrophobicContact CB-CG2 4.4Å; I75-T426 HydrophobicContact CD1-CG2 4.28Å; I75-T426 HydrophobicContact CG2-CG2 3.9Å; I422-T426 HydrophobicContact CG2-CG2 4.43Å; P423-T426 VanDerWaalsContact CG-OG1 3.31Å; P423-T426 WeakPolarHBondContact CG-OG1 3.36Å; P423-T426 PolarHBondContact O-N 3.06Å; P423-T426 VanDerWaalsContact O-N 3.08Å; T426-L428 VanDerWaalsContact C-N 3.31Å; T426-L428 PolarHBondContact O-N 3.41Å; T426-A429 WeakPolarHBondContact O-CB 3.24Å; T426-A429 PolarHBondContact O-N 3.22Å; T426-L430 WeakPolarHBondContact O-CG 3.44Å; T426-L430 PolarHBondContact O-N 3.46Å
427	L	93.7	Very high	93.9	Very high	33 Å²	33	49.2 Å²	49.2	17%	0.173	30%	0.295	C	S	.	.	H	α-helix	trans	-59	-44.2	171.3	-177.6	69.1	0	0	0	111	L403 L407 P423 F424 L430 L431	L403-L427 HydrophobicContact CD1-CD1 4.11Å; L407-L427 HydrophobicContact CD2-CD1 4.07Å; L407-L427 HydrophobicContact CD2-CD2 3.76Å; P423-L427 PolarHBondContact O-N 3.4Å; P423-L427 VanDerWaalsContact O-N 3.09Å; F424-L427 WeakPolarHBondContact O-CB 3.25Å; F424-L427 PolarHBondContact O-N 3.32Å; L427-L430 PolarHBondContact O-N 3.2Å; L427-L431 HydrophobicContact CG-CD1 4.41Å; L427-L431 WeakPolarHBondContact O-CB 3.18Å; L427-L431 VanDerWaalsContact O-CG 3.32Å; L427-L431 WeakPolarHBondContact O-CG 3.26Å; L427-L431 PolarHBondContact O-N 3.15Å
428	L	94.6	Very high	94.1	Very high	101 Å²	101	47.3 Å²	47.3	53%	0.529	28%	0.275	S	S	.	.	H	α-helix	trans	-64.2	-39.8	175.4	-175	62.5	0	0	0	112.1	F424 T425 T426 L431 S432	F424-L428 PolarHBondContact O-N 3.18Å; T425-L428 PolarHBondContact O-N 2.98Å; T426-L428 VanDerWaalsContact C-N 3.31Å; T426-L428 PolarHBondContact O-N 3.41Å; L428-L431 PolarHBondContact O-N 3.4Å; L428-S432 WeakPolarHBondContact O-CB 3.15Å; L428-S432 PolarHBondContact O-N 3Å
429	A	94.1	Very high	94.3	Very high	34 Å²	34	48.8 Å²	48.8	28%	0.281	28%	0.283	S	S	.	.	H	α-helix	trans	-61.7	-46	174.8	0	0	0	0	0	111.7	T425 T426 L431 S432 L433	T425-A429 PolarHBondContact O-N 3.45Å; T426-A429 WeakPolarHBondContact O-CB 3.24Å; T426-A429 PolarHBondContact O-N 3.22Å; A429-L431 PolarHBondContact O-N 3.46Å; A429-S432 PolarHBondContact O-N 2.94Å; A429-S432 PolarHBondContact O-OG 2.99Å; A429-L433 PolarHBondContact O-N 3.29Å
430	L	94.7	Very high	94.6	Very high	42 Å²	42	50.9 Å²	50.9	22%	0.22	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-40.7	175.6	-67.9	175.6	0	0	0	112.3	I72 L76 I361 T426 L427 S432 L433 W434	I72-L430 HydrophobicContact CG2-CD2 4.08Å; L76-L430 HydrophobicContact CD2-CD1 4.15Å; I361-L430 HydrophobicContact CD1-CD2 4.21Å; I361-L430 HydrophobicContact CG2-CD2 4.31Å; T426-L430 WeakPolarHBondContact O-CG 3.44Å; T426-L430 PolarHBondContact O-N 3.46Å; L427-L430 PolarHBondContact O-N 3.2Å; L430-S432 VanDerWaalsContact C-N 3.33Å; L430-S432 PolarHBondContact O-N 3.39Å; L430-L433 PolarHBondContact O-N 3.45Å; L430-W434 WeakPolarHBondContact O-CB 3.35Å; L430-W434 PolarHBondContact O-N 3.02Å
431	L	95.2	Very high	94.9	Very high	47 Å²	47	52 Å²	52	25%	0.246	30%	0.299	C	S	.	.	H	α-helix	trans	-62.2	-39.2	173.8	-74	175.2	0	0	0	111.9	L403 L427 L428 A429 W434 L435	L403-L431 HydrophobicContact CD1-CD2 4.17Å; L403-L431 HydrophobicContact CD2-CD2 4.1Å; L427-L431 HydrophobicContact CG-CD1 4.41Å; L427-L431 WeakPolarHBondContact O-CB 3.18Å; L427-L431 VanDerWaalsContact O-CG 3.32Å; L427-L431 WeakPolarHBondContact O-CG 3.26Å; L427-L431 PolarHBondContact O-N 3.15Å; L428-L431 PolarHBondContact O-N 3.4Å; A429-L431 PolarHBondContact O-N 3.46Å; L431-W434 HydrophobicContact CD2-CE3 3.81Å; L431-W434 HydrophobicContact CD2-CZ3 3.99Å; L431-W434 PolarHBondContact O-N 2.84Å; L431-L435 WeakPolarHBondContact O-CB 3.29Å; L431-L435 PolarHBondContact O-N 3.36Å
432	S	95.9	Very high	95.2	Very high	67 Å²	67	51.1 Å²	51.1	47%	0.469	29%	0.292	S	S	.	.	H	α-helix	trans	-67.9	-39.5	175.9	73.8	0	0	0	0	112.8	L428 A429 L430 W434 G436	L428-S432 WeakPolarHBondContact O-CB 3.15Å; L428-S432 PolarHBondContact O-N 3Å; A429-S432 PolarHBondContact O-N 2.94Å; A429-S432 PolarHBondContact O-OG 2.99Å; L430-S432 VanDerWaalsContact C-N 3.33Å; L430-S432 PolarHBondContact O-N 3.39Å; S432-W434 VanDerWaalsContact C-N 3.32Å; S432-W434 PolarHBondContact O-N 3.48Å; S432-G436 WeakPolarHBondContact O-CA 3.37Å; S432-G436 PolarHBondContact O-N 3.04Å
433	L	95.4	Very high	95.4	Very high	27 Å²	27	53.2 Å²	53.2	14%	0.141	30%	0.299	C	S	.	.	I	π-helix	trans	-64.6	-38.9	173.8	-73.5	174.9	0	0	0	111.3	I72 I361 V365 A429 L430 I437 S438	I72-L433 HydrophobicContact CD1-CD1 4.27Å; I361-L433 HydrophobicContact CG2-CD1 4.29Å; V365-L433 HydrophobicContact CG2-CB 4.36Å; A429-L433 PolarHBondContact O-N 3.29Å; L430-L433 PolarHBondContact O-N 3.45Å; L433-I437 HydrophobicContact CD2-CD1 3.82Å; L433-I437 WeakPolarHBondContact O-CB 3.47Å; L433-I437 PolarHBondContact O-N 3.5Å; L433-S438 PolarHBondContact O-N 2.81Å
434	W	96.4	Very high	95.7	Very high	35 Å²	35	54.6 Å²	54.6	13%	0.133	30%	0.302	C	S	.	.	I	π-helix	trans	-71.2	-59	177.8	175.3	30.3	0	0	0	112.7	G395 L396 P399 L403 L430 L431 S432 S438 L439	G395-W434 PolarHBondContact O-NE1 3.37Å; L396-W434 HydrophobicContact CD2-CH2 4.13Å; L396-W434 HydrophobicContact CD2-CZ2 3.46Å; L396-W434 VanDerWaalsContact CD2-CZ2 3.46Å; P399-W434 HydrophobicContact CB-CD2 3.96Å; P399-W434 VanDerWaalsContact CB-CE2 3.41Å; P399-W434 HydrophobicContact CB-CG 4.3Å; P399-W434 HydrophobicContact CB-CH2 4.37Å; P399-W434 HydrophobicContact CB-CZ2 3.63Å; L403-W434 HydrophobicContact CB-CZ3 4.45Å; L403-W434 HydrophobicContact CD2-CH2 4.46Å; L403-W434 HydrophobicContact CD2-CZ3 3.83Å; L430-W434 WeakPolarHBondContact O-CB 3.35Å; L430-W434 PolarHBondContact O-N 3.02Å; L431-W434 HydrophobicContact CD2-CE3 3.81Å; L431-W434 HydrophobicContact CD2-CZ3 3.99Å; L431-W434 PolarHBondContact O-N 2.84Å; S432-W434 VanDerWaalsContact C-N 3.32Å; S432-W434 PolarHBondContact O-N 3.48Å; W434-S438 WeakPolarHBondContact O-CB 3.45Å; W434-S438 PolarHBondContact O-N 2.72Å; W434-L439 WeakPolarHBondContact O-CB 3.32Å; W434-L439 PolarHBondContact O-N 3.07Å
435	L	96.3	Very high	96	Very high	89 Å²	89	47.2 Å²	47.2	47%	0.466	27%	0.27	S	S	.	.	I	π-helix	trans	-78.7	-32.3	-174.3	-61	-179.5	0	0	0	112.8	L396 L431 L439 P440	L396-L435 HydrophobicContact CD2-CD2 4.32Å; L431-L435 WeakPolarHBondContact O-CB 3.29Å; L431-L435 PolarHBondContact O-N 3.36Å; L435-L439 HydrophobicContact CD2-CD1 4.13Å; L435-P440 VanDerWaalsContact O-CD 3.29Å; L435-P440 WeakPolarHBondContact O-CD 3.44Å
436	G	95.8	Very high	96.3	Very high	52 Å²	52	42.4 Å²	42.4	54%	0.536	24%	0.241	S	C	.	.	I	π-helix	trans	-85.3	-28.5	-177.5	0	0	0	0	0	114.3	S432	S432-G436 WeakPolarHBondContact O-CA 3.37Å; S432-G436 PolarHBondContact O-N 3.04Å
437	I	96.1	Very high	96.5	Very high	68 Å²	68	44.9 Å²	44.9	35%	0.349	25%	0.251	S	S	.	.	I	π-helix	trans	-121.7	-61.3	-177	-51.9	-178.4	0	0	0	111.5	V365 L433 L439 P440 L441	V365-I437 HydrophobicContact CG1-CB 3.93Å; V365-I437 HydrophobicContact CG1-CG2 3.57Å; L433-I437 HydrophobicContact CD2-CD1 3.82Å; L433-I437 WeakPolarHBondContact O-CB 3.47Å; L433-I437 PolarHBondContact O-N 3.5Å; I437-L439 PolarHBondContact O-N 2.83Å; I437-P440 WeakPolarHBondContact O-CD 3.42Å; I437-L441 HydrophobicContact CG2-CD1 3.94Å; I437-L441 HydrophobicContact CG2-CD2 4.4Å; I437-L441 WeakPolarHBondContact O-CB 3.26Å; I437-L441 VanDerWaalsContact O-CD1 3.29Å; I437-L441 WeakPolarHBondContact O-CD1 3.45Å; I437-L441 PolarHBondContact O-N 3.41Å
438	S	96.4	Very high	96.7	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.007	27%	0.268	C	S	.	.	I	π-helix	trans	-59.6	-48.3	-172.3	-173.9	0	0	0	0	112.7	L433 W434 L441 I442	L433-S438 PolarHBondContact O-N 2.81Å; W434-S438 WeakPolarHBondContact O-CB 3.45Å; W434-S438 PolarHBondContact O-N 2.72Å; S438-L441 PolarHBondContact O-N 3.01Å; S438-I442 VanDerWaalsContact O-CG1 3.29Å; S438-I442 WeakPolarHBondContact O-CG1 3.42Å; S438-I442 PolarHBondContact O-N 3.29Å
439	L	97.5	Very high	96.8	Very high	37 Å²	37	44.3 Å²	44.3	19%	0.194	24%	0.243	C	C	.	.	H	α-helix	trans	-63.7	-46.5	-178.5	-177.4	149.6	0	0	0	112.7	L396 W434 L435 I437 I442 Y443	L396-L439 HydrophobicContact CD2-CD1 3.61Å; L396-L439 HydrophobicContact CG-CD1 4Å; W434-L439 WeakPolarHBondContact O-CB 3.32Å; W434-L439 PolarHBondContact O-N 3.07Å; L435-L439 HydrophobicContact CD2-CD1 4.13Å; I437-L439 PolarHBondContact O-N 2.83Å; L439-I442 PolarHBondContact O-N 3.46Å; L439-Y443 PolarHBondContact O-N 3.27Å
440	P	97.9	Very high	96.9	Very high	49 Å²	49	45.2 Å²	45.2	32%	0.318	24%	0.24	S	C	.	.	H	α-helix	trans	-58.3	-42.7	169.7	-29.6	36.3	0	0	0	114.1	L435 I437 I442 Y443 I444	L435-P440 VanDerWaalsContact O-CD 3.29Å; L435-P440 WeakPolarHBondContact O-CD 3.44Å; I437-P440 WeakPolarHBondContact O-CD 3.42Å; P440-I442 VanDerWaalsContact C-N 3.34Å; P440-I442 PolarHBondContact O-N 3.43Å; P440-Y443 PolarHBondContact O-N 2.92Å; P440-I444 VanDerWaalsContact O-CG1 3.31Å; P440-I444 WeakPolarHBondContact O-CG1 3.37Å; P440-I444 PolarHBondContact O-N 3.46Å
441	L	97.7	Very high	96.9	Very high	40 Å²	40	51.5 Å²	51.5	21%	0.209	26%	0.26	C	S	.	.	H	α-helix	trans	-60.4	-43.4	177.4	-99.3	65.3	0	0	0	111.6	F366 I437 S438 I444 G445	F366-L441 HydrophobicContact CD1-CD2 4.15Å; I437-L441 HydrophobicContact CG2-CD1 3.94Å; I437-L441 HydrophobicContact CG2-CD2 4.4Å; I437-L441 WeakPolarHBondContact O-CB 3.26Å; I437-L441 VanDerWaalsContact O-CD1 3.29Å; I437-L441 WeakPolarHBondContact O-CD1 3.45Å; I437-L441 PolarHBondContact O-N 3.41Å; S438-L441 PolarHBondContact O-N 3.01Å; L441-I444 PolarHBondContact O-N 2.93Å; L441-G445 PolarHBondContact O-N 3.42Å
442	I	98.4	Very high	96.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-44.9	174.8	-67	168.1	0	0	0	110.4	G368 G372 T394 S438 L439 P440 I444 G445 F446	G368-I442 VanDerWaalsContact CA-CG1 3.41Å; G368-I442 WeakPolarHBondContact O-CA 3.34Å; G368-I442 VanDerWaalsContact O-CG1 3.25Å; G368-I442 WeakPolarHBondContact O-CG1 3.35Å; G372-I442 WeakPolarHBondContact CA-O 3.47Å; T394-I442 HydrophobicContact CG2-CG2 4.16Å; S438-I442 VanDerWaalsContact O-CG1 3.29Å; S438-I442 WeakPolarHBondContact O-CG1 3.42Å; S438-I442 PolarHBondContact O-N 3.29Å; L439-I442 PolarHBondContact O-N 3.46Å; P440-I442 VanDerWaalsContact C-N 3.34Å; P440-I442 PolarHBondContact O-N 3.43Å; I442-I444 PolarHBondContact O-N 2.92Å; I442-G445 PolarHBondContact O-N 3.04Å; I442-F446 VanDerWaalsContact O-CB 3.28Å; I442-F446 WeakPolarHBondContact O-CB 3.4Å; I442-F446 PolarHBondContact O-N 2.93Å
443	Y	98.3	Very high	96.5	Very high	78 Å²	78	58.8 Å²	58.8	31%	0.306	28%	0.277	S	S	.	.	H	α-helix	trans	-61.7	-44.8	178.7	-168.1	-85.7	0	0	0	112.4	W387 A391 V392 L439 P440 F446 F447	W387-Y443 HydrophobicContact CH2-CE1 4.4Å; W387-Y443 HydrophobicContact CZ3-CE1 4.31Å; W387-Y443 HydrophobicContact CZ3-CE2 4.47Å; W387-Y443 AromaticContact CZ3-CZ 3.98Å; A391-Y443 HydrophobicContact CB-CD2 3.92Å; A391-Y443 HydrophobicContact CB-CE2 4.33Å; V392-Y443 HydrophobicContact CG2-CD2 4.33Å; L439-Y443 PolarHBondContact O-N 3.27Å; P440-Y443 PolarHBondContact O-N 2.92Å; Y443-F446 PolarHBondContact O-N 3.01Å; Y443-F447 WeakPolarHBondContact O-CB 3.48Å; Y443-F447 PolarHBondContact O-N 3.01Å
444	I	98.2	Very high	96.1	Very high	81 Å²	81	58.1 Å²	58.1	42%	0.415	28%	0.277	S	S	.	.	H	α-helix	trans	-62.8	-47.6	176.6	-68.8	167.5	0	0	0	110.5	L369 P440 L441 I442 F446 F447 F448	L369-I444 HydrophobicContact CD1-CG2 4.3Å; P440-I444 VanDerWaalsContact O-CG1 3.31Å; P440-I444 WeakPolarHBondContact O-CG1 3.37Å; P440-I444 PolarHBondContact O-N 3.46Å; L441-I444 PolarHBondContact O-N 2.93Å; I442-I444 PolarHBondContact O-N 2.92Å; I444-F446 VanDerWaalsContact C-N 3.3Å; I444-F446 PolarHBondContact O-N 2.74Å; I444-F447 WeakPolarHBondContact O-CB 3.41Å; I444-F447 PolarHBondContact O-N 2.84Å; I444-F448 HydrophobicContact CG2-CD2 3.82Å; I444-F448 HydrophobicContact CG2-CE2 3.6Å; I444-F448 VanDerWaalsContact O-CD2 3.25Å; I444-F448 WeakPolarHBondContact O-CD2 3.38Å; I444-F448 PolarHBondContact O-N 3.49Å; I444-F448 VanDerWaalsContact O-N 3.1Å
445	G	98.1	Very high	95.6	Very high	1 Å²	1	59 Å²	59	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-55.5	-48.3	175	0	0	0	0	0	111.2	L369 Y373 L441 I442 F447 F448 G449	L369-G445 WeakPolarHBondContact O-CA 3.49Å; Y373-G445 WeakPolarHBondContact CA-O 3.33Å; Y373-G445 VanDerWaalsContact N-C 3.26Å; Y373-G445 PolarHBondContact N-O 3.05Å; L441-G445 PolarHBondContact O-N 3.42Å; I442-G445 PolarHBondContact O-N 3.04Å; G445-F447 VanDerWaalsContact C-N 3.34Å; G445-F447 PolarHBondContact O-N 3.16Å; G445-F448 PolarHBondContact O-N 3.47Å; G445-G449 PolarHBondContact O-N 3.45Å
446	F	98.2	Very high	94.9	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.9	-41.2	179.5	-154.3	-70.4	0	0	0	112.3	T323 G372 A375 G376 Y379 W387 T390 A391 I442 Y443 I444 G449 Y450	T323-F446 HydrophobicContact CG2-CE2 4.38Å; G372-F446 VanDerWaalsContact C-CA 3.48Å; G372-F446 WeakPolarHBondContact O-CA 3.45Å; G372-F446 PolarHBondContact O-N 2.69Å; A375-F446 HydrophobicContact CB-CD2 3.94Å; A375-F446 HydrophobicContact CB-CE2 3.72Å; G376-F446 VanDerWaalsContact CA-CE1 3.43Å; Y379-F446 HydrophobicContact CD1-CE1 4.32Å; Y379-F446 HydrophobicContact CD1-CZ 4.21Å; Y379-F446 HydrophobicContact CG-CZ 4.1Å; W387-F446 HydrophobicContact CB-CE1 4.04Å; W387-F446 HydrophobicContact CE3-CD1 4.19Å; T390-F446 HydrophobicContact CG2-CE2 4.06Å; T390-F446 HydrophobicContact CG2-CZ 3.81Å; A391-F446 HydrophobicContact CB-CB 3.72Å; A391-F446 HydrophobicContact CB-CD1 3.85Å; A391-F446 HydrophobicContact CB-CD2 3.77Å; A391-F446 HydrophobicContact CB-CE1 4.39Å; A391-F446 HydrophobicContact CB-CE2 4.31Å; A391-F446 HydrophobicContact CB-CG 3.51Å; I442-F446 VanDerWaalsContact O-CB 3.28Å; I442-F446 WeakPolarHBondContact O-CB 3.4Å; I442-F446 PolarHBondContact O-N 2.93Å; Y443-F446 PolarHBondContact O-N 3.01Å; I444-F446 VanDerWaalsContact C-N 3.3Å; I444-F446 PolarHBondContact O-N 2.74Å; F446-G449 PolarHBondContact O-N 2.82Å; F446-Y450 HydrophobicContact CE1-CD2 4.47Å; F446-Y450 VanDerWaalsContact O-CB 3.29Å; F446-Y450 WeakPolarHBondContact O-CB 3.33Å; F446-Y450 PolarHBondContact O-N 2.77Å
447	F	97.7	Very high	94.2	Very high	61 Å²	61	60.6 Å²	60.6	27%	0.268	27%	0.273	S	S	.	.	H	α-helix	trans	-58.5	-48.2	175.4	174.4	-100	0	0	0	112.1	W387 Y443 I444 G445 R451	W387-F447 AromaticContact CH2-CD2 3.73Å; W387-F447 HydrophobicContact CH2-CD2 3.73Å; W387-F447 HydrophobicContact CH2-CE2 4.49Å; W387-F447 HydrophobicContact CZ2-CD2 4.42Å; W387-F447 HydrophobicContact CZ3-CB 4.37Å; W387-F447 HydrophobicContact CZ3-CD2 4.24Å; Y443-F447 WeakPolarHBondContact O-CB 3.48Å; Y443-F447 PolarHBondContact O-N 3.01Å; I444-F447 WeakPolarHBondContact O-CB 3.41Å; I444-F447 PolarHBondContact O-N 2.84Å; G445-F447 VanDerWaalsContact C-N 3.34Å; G445-F447 PolarHBondContact O-N 3.16Å; F447-R451 PolarHBondContact O-N 3.27Å; F447-R451 VanDerWaalsContact O-N 3.1Å
448	F	97.4	Very high	93.3	Very high	122 Å²	122	59 Å²	59	54%	0.535	27%	0.267	S	S	.	.	H	α-helix	trans	-67.4	-40.4	176.5	-73.6	-63.3	0	0	0	112.4	I444 G445 Y450 R451 K452	I444-F448 HydrophobicContact CG2-CD2 3.82Å; I444-F448 HydrophobicContact CG2-CE2 3.6Å; I444-F448 VanDerWaalsContact O-CD2 3.25Å; I444-F448 WeakPolarHBondContact O-CD2 3.38Å; I444-F448 PolarHBondContact O-N 3.49Å; I444-F448 VanDerWaalsContact O-N 3.1Å; G445-F448 PolarHBondContact O-N 3.47Å; F448-Y450 PolarHBondContact O-N 3.33Å; F448-R451 PolarHBondContact O-N 2.91Å; F448-K452 PolarHBondContact O-N 2.71Å; F448-K452 VanDerWaalsContact O-N 3.1Å
449	G	96.7	Very high	92.5	Very high	0 Å²	0	60 Å²	60	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.9	-44	175.9	0	0	0	0	0	112.9	Y373 R377 G445 F446 K452	Y373-G449 WeakPolarHBondContact O-CA 3.35Å; R377-G449 WeakPolarHBondContact CA-O 3.32Å; G445-G449 PolarHBondContact O-N 3.45Å; F446-G449 PolarHBondContact O-N 2.82Å; G449-K452 PolarHBondContact O-N 3.07Å
450	Y	95.9	Very high	91.8	Very high	53 Å²	53	68 Å²	68	21%	0.208	30%	0.3	C	S	.	.	H	α-helix	trans	-73.5	-24.4	179.1	-166.8	-95.6	0	0	0	113	Y379 K380 G384 W387 F446 F448	Y379-Y450 HydrophobicContact CD1-CD2 4.3Å; Y379-Y450 AromaticContact CD1-CE2 3.96Å; Y379-Y450 HydrophobicContact CD1-CE2 3.96Å; K380-Y450 HydrophobicContact CB-CD2 3.77Å; K380-Y450 HydrophobicContact CB-CE2 3.93Å; K380-Y450 HydrophobicContact CB-CG 4.48Å; K380-Y450 WeakPolarHBondContact CD-O 3.39Å; K380-Y450 VanDerWaalsContact CE-O 3.24Å; K380-Y450 WeakPolarHBondContact CE-O 3.37Å; K380-Y450 HydrophobicContact CG-CD2 4.29Å; K380-Y450 HydrophobicContact CG-CE2 4.2Å; K380-Y450 PolarHBondContact NZ-O 3.27Å; G384-Y450 PolarHBondContact O-OH 2.97Å; W387-Y450 HydrophobicContact CB-CD1 4.26Å; W387-Y450 HydrophobicContact CB-CD2 3.75Å; W387-Y450 HydrophobicContact CB-CE1 4.18Å; W387-Y450 HydrophobicContact CB-CE2 3.65Å; W387-Y450 HydrophobicContact CB-CG 4.05Å; W387-Y450 AromaticContact CD1-CE1 3.66Å; W387-Y450 AromaticContact CD1-CZ 3.93Å; W387-Y450 HydrophobicContact CD2-CD1 4.37Å; W387-Y450 AromaticContact CG-CD1 3.98Å; W387-Y450 HydrophobicContact CG-CD1 3.98Å; W387-Y450 HydrophobicContact CG-CD2 4.35Å; W387-Y450 AromaticContact CG-CE1 3.94Å; W387-Y450 HydrophobicContact CG-CE1 3.94Å; W387-Y450 HydrophobicContact CG-CE2 4.3Å; W387-Y450 HydrophobicContact CG-CG 4.19Å; F446-Y450 HydrophobicContact CE1-CD2 4.47Å; F446-Y450 VanDerWaalsContact O-CB 3.29Å; F446-Y450 WeakPolarHBondContact O-CB 3.33Å; F446-Y450 PolarHBondContact O-N 2.77Å; F448-Y450 PolarHBondContact O-N 3.33Å
451	R	95.1	Very high	91.2	Very high	174 Å²	174	67 Å²	67	66%	0.657	29%	0.293	S	S	*	.	H	α-helix	trans	-77.3	-32.3	172.7	-79.1	-173.7	170.7	-158.4	-1.1	112.7	K380 F447 F448	K380-R451 PolarHBondContact NZ-O 3.42Å; F447-R451 PolarHBondContact O-N 3.27Å; F447-R451 VanDerWaalsContact O-N 3.1Å; F448-R451 PolarHBondContact O-N 2.91Å
452	K	93.3	Very high	90.6	Very high	97 Å²	97	69.3 Å²	69.3	42%	0.422	31%	0.305	S	S	.	.	S	Bend	trans	-59.9	153.5	174.8	-164.6	166	-173.5	170	0	111.5	Y373 K380 F448 G449 G454	Y373-K452 HydrophobicContact CE2-CD 4.11Å; Y373-K452 WeakPolarHBondContact OH-CD 3.48Å; Y373-K452 PolarHBondContact OH-NZ 3.16Å; K380-K452 WeakPolarHBondContact CD-O 3.33Å; K380-K452 WeakPolarHBondContact CE-O 3.47Å; K380-K452 PolarHBondContact NZ-O 3.28Å; F448-K452 PolarHBondContact O-N 2.71Å; F448-K452 VanDerWaalsContact O-N 3.1Å; G449-K452 PolarHBondContact O-N 3.07Å; K452-G454 PolarHBondContact O-N 3.27Å
453	R	89.7	Confident	90.1	Very high	169 Å²	169	77.8 Å²	77.8	64%	0.638	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-56.1	133.8	171.6	-167.5	179	-179.5	179.2	-0.8	108.7	R377 E456	R377-R453 PolarHBondContact NE-O 3.22Å; R453-E456 WeakPolarHBondContact CD-OE1 3.32Å; R453-E456 IonicContact CZ-OE1 2.77Å; R453-E456 IonicContact CZ-OE2 3.2Å; R453-E456 IonicContact NE-OE1 2.87Å; R453-E456 PolarHBondContact NE-OE1 3.04Å; R453-E456 VanDerWaalsContact NH1-CD 3.31Å; R453-E456 IonicContact NH1-OE1 3.76Å; R453-E456 PolarHBondContact NH1-OE1 3.42Å; R453-E456 IonicContact NH1-OE2 3.96Å; R453-E456 VanDerWaalsContact NH2-CD 3.27Å; R453-E456 IonicContact NH2-OE1 3.54Å; R453-E456 PolarHBondContact NH2-OE1 3.4Å; R453-E456 IonicContact NH2-OE2 2.73Å; R453-E456 PolarHBondContact NH2-OE2 3.35Å
454	G	86.9	Confident	89.6	Confident	14 Å²	14	80.9 Å²	80.9	14%	0.144	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-56.8	162.8	172.1	0	0	0	0	0	110.2	K452 E456	K452-G454 PolarHBondContact O-N 3.27Å; G454-E456 PolarHBondContact O-N 3.39Å
455	F	86.8	Confident	89.1	Confident	53 Å²	53	80.1 Å²	80.1	23%	0.232	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-60.4	126	170.9	-61.9	-74.7	0	0	0	108.3	R377 T381 Q457 F607	R377-F455 HydrophobicContact CB-CE2 4.17Å; R377-F455 HydrophobicContact CB-CZ 4.49Å; R377-F455 HydrophobicContact CG-CD2 4.16Å; R377-F455 HydrophobicContact CG-CE2 3.77Å; R377-F455 HydrophobicContact CG-CZ 4Å; R377-F455 VanDerWaalsContact NH1-CE1 3.26Å; T381-F455 HydrophobicContact CG2-CB 4.07Å; T381-F455 WeakPolarHBondContact OG1-CD2 3.4Å; T381-F455 PolarHBondContact OG1-N 2.92Å; F455-Q457 PolarHBondContact O-N 3.18Å; F455-F607 HydrophobicContact CB-CE1 3.94Å; F455-F607 HydrophobicContact CB-CZ 3.69Å; F455-F607 HydrophobicContact CD1-CE1 4.2Å; F455-F607 AromaticContact CD2-CE1 3.94Å; F455-F607 HydrophobicContact CD2-CE1 3.94Å; F455-F607 AromaticContact CD2-CZ 3.96Å; F455-F607 HydrophobicContact CD2-CZ 3.96Å; F455-F607 AromaticContact CG-CE1 3.78Å; F455-F607 HydrophobicContact CG-CE1 3.78Å; F455-F607 AromaticContact CG-CZ 3.92Å; F455-F607 HydrophobicContact CG-CZ 3.92Å
456	E	80.2	Confident	88.5	Confident	128 Å²	128	84.6 Å²	84.6	60%	0.598	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-68.2	116.9	-179	-67	178.8	-147.7	0	0	108.3	R453 G454	R453-E456 WeakPolarHBondContact CD-OE1 3.32Å; R453-E456 IonicContact CZ-OE1 2.77Å; R453-E456 IonicContact CZ-OE2 3.2Å; R453-E456 IonicContact NE-OE1 2.87Å; R453-E456 PolarHBondContact NE-OE1 3.04Å; R453-E456 VanDerWaalsContact NH1-CD 3.31Å; R453-E456 IonicContact NH1-OE1 3.76Å; R453-E456 PolarHBondContact NH1-OE1 3.42Å; R453-E456 IonicContact NH1-OE2 3.96Å; R453-E456 VanDerWaalsContact NH2-CD 3.27Å; R453-E456 IonicContact NH2-OE1 3.54Å; R453-E456 PolarHBondContact NH2-OE1 3.4Å; R453-E456 IonicContact NH2-OE2 2.73Å; R453-E456 PolarHBondContact NH2-OE2 3.35Å; G454-E456 PolarHBondContact O-N 3.39Å
457	Q	80.9	Confident	88	Confident	46 Å²	46	88.7 Å²	88.7	22%	0.215	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-80	126.7	174.8	-66	175.4	-21.2	0	0	107.3	F313 T381 F455 I459	F313-Q457 HydrophobicContact CB-CB 4.47Å; F313-Q457 HydrophobicContact CB-CG 4.13Å; F313-Q457 HydrophobicContact CD1-CG 4.17Å; F313-Q457 HydrophobicContact CD2-CB 4.45Å; F313-Q457 HydrophobicContact CG-CB 4.28Å; F313-Q457 HydrophobicContact CG-CG 4.11Å; F313-Q457 PolarHBondContact O-NE2 3.41Å; T381-Q457 HydrophobicContact CG2-CG 4.27Å; F455-Q457 PolarHBondContact O-N 3.18Å; Q457-I459 PolarHBondContact O-N 2.89Å
458	P	77.6	Confident	87.5	Confident	36 Å²	36	87.9 Å²	87.9	23%	0.234	42%	0.416	C	S	.	.	S	Bend	trans	-65.1	-25.8	-175.9	25.3	-34.3	0	0	0	112.4	F313 L614 F615	F313-P458 HydrophobicContact CE2-CG 3.57Å; F313-P458 HydrophobicContact CZ-CG 3.86Å; P458-L614 HydrophobicContact CB-CB 4.48Å; P458-L614 HydrophobicContact CG-CB 3.72Å; P458-F615 HydrophobicContact CB-CB 4.16Å
459	I	79.5	Confident	87	Confident	22 Å²	22	84.8 Å²	84.8	11%	0.113	41%	0.408	C	S	.	.	S	Bend	trans	-129.9	141	-176.8	-68.8	145.4	0	0	0	109.7	H309 Q457 L614	H309-I459 HydrophobicContact CB-CD1 4.45Å; Q457-I459 PolarHBondContact O-N 2.89Å; I459-L614 HydrophobicContact CD1-CB 3.98Å; I459-L614 HydrophobicContact CD1-CD2 3.26Å; I459-L614 HydrophobicContact CD1-CG 4.22Å
460	R	82.9	Confident	86.4	Confident	204 Å²	204	92.9 Å²	92.9	77%	0.77	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-76.2	136.7	173.1	-175.3	-179.9	179.4	178.3	1.8	109.7
461	T	85.1	Confident	85.7	Confident	29 Å²	29	93 Å²	93	18%	0.178	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-70	138.5	177.6	56.5	0	0	0	0	112.6	G310 F313	G310-T461 CarbonylContact O-C 3.5Å; G310-T461 WeakPolarHBondContact O-CA 3.43Å; F313-T461 HydrophobicContact CB-CG2 4.22Å
462	N	86.5	Confident	85.1	Confident	87 Å²	87	94.1 Å²	94.1	47%	0.465	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-62.1	150.3	171.6	-74.5	-20.1	0	0	0	111.4	G310 R314	G310-N462 PolarHBondContact O-N 3.49Å; R314-N462 PolarHBondContact NH2-O 3.33Å
463	Q	86.4	Confident	84.3	Confident	178 Å²	178	96.7 Å²	96.7	83%	0.832	47%	0.469	S	S	*	.	S	Bend	trans	-69.9	-45.2	179.3	-67.4	-173.9	-0.8	0	0	111.3
464	I	88.5	Confident	83.5	Confident	144 Å²	144	92.5 Å²	92.5	74%	0.738	47%	0.465	S	S	*	.	S	Bend	trans	-93.8	124.4	-179.8	-58.5	170.6	0	0	0	108.7
465	P	88	Confident	83.1	Confident	65 Å²	65	94.2 Å²	94.2	42%	0.422	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-69.8	134.6	174.4	28.2	-31.9	0	0	0	110.5	Y543	P465-Y543 WeakPolarHBondContact CB-OH 3.45Å
466	R	85.6	Confident	83.1	Confident	95 Å²	95	94.8 Å²	94.8	36%	0.358	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-67.2	145.5	171.6	-169.9	-178.5	167.2	114.9	-3.3	111	L307 D311 E541 Y543	L307-R466 VanDerWaalsContact CD1-NH2 3.28Å; D311-R466 PolarHBondContact OD2-N 2.83Å; R466-E541 IonicContact CZ-OE2 3.66Å; R466-E541 IonicContact NE-OE2 3.75Å; R466-E541 IonicContact NH2-OE2 2.89Å; R466-E541 PolarHBondContact NH2-OE2 3.08Å; R466-Y543 WeakPolarHBondContact O-CE1 3.4Å; R466-Y543 PolarHBondContact O-OH 3.32Å
467	A	86.8	Confident	83.5	Confident	85 Å²	85	92.4 Å²	92.4	70%	0.702	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-70.3	129.4	168.7	0	0	0	0	0	110
468	V	87.3	Confident	83.9	Confident	45 Å²	45	96.4 Å²	96.4	27%	0.273	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-83.8	128.3	177.1	178.1	0	0	0	0	108.4	D542 Y543	V468-D542 HydrophobicContact CG1-CB 3.71Å; V468-Y543 HydrophobicContact CG2-CD1 3.96Å; V468-Y543 HydrophobicContact CG2-CE1 3.54Å
469	P	86.6	Confident	84.6	Confident	57 Å²	57	96.5 Å²	96.5	37%	0.37	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-68.2	158.5	177.9	29	-34.8	0	0	0	111.6	Q471 E541	P469-Q471 PolarHBondContact O-N 3.43Å; P469-Q471 PolarHBondContact O-NE2 3.39Å; P469-E541 HydrophobicContact CG-CB 3.91Å
470	D	84.5	Confident	85	Confident	169 Å²	169	96 Å²	96	90%	0.904	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-58.2	126.3	176	-72.2	-35.4	0	0	0	111
471	Q	81.6	Confident	85.5	Confident	56 Å²	56	86.9 Å²	86.9	26%	0.262	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-85.1	147.3	-175.6	-62.6	-62.4	-49	0	0	110.7	P469 H475 S540	P469-Q471 PolarHBondContact O-N 3.43Å; P469-Q471 PolarHBondContact O-NE2 3.39Å; Q471-H475 HydrophobicContact CB-CB 4.15Å; Q471-S540 PolarHBondContact NE2-O 2.83Å
472	R	81.9	Confident	85.9	Confident	197 Å²	197	88.3 Å²	88.3	74%	0.743	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-62.4	152	173.5	-55.6	177.2	-176.3	-169.3	-0.6	110	C474 H475	R472-C474 PolarHBondContact O-N 3.21Å; R472-C474 VanDerWaalsContact O-N 3.12Å; R472-H475 WeakPolarHBondContact O-CA 3.4Å; R472-H475 WeakPolarHBondContact O-CB 3.11Å; R472-H475 PolarHBondContact O-N 3.35Å
473	F	76.8	Confident	86.1	Confident	152 Å²	152	91.6 Å²	91.6	67%	0.667	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-51.5	-39.7	179	-176.2	-104.9	0	0	0	113.6	H475 N476 L479	F473-H475 PolarHBondContact O-N 2.61Å; F473-N476 WeakPolarHBondContact CD2-ND2 3.34Å; F473-N476 WeakPolarHBondContact CE2-ND2 3.39Å; F473-N476 VanDerWaalsContact O-CB 3.23Å; F473-N476 WeakPolarHBondContact O-CB 3.4Å; F473-N476 PolarHBondContact O-N 2.87Å; F473-N476 PolarHBondContact O-ND2 3.44Å; F473-L479 HydrophobicContact CD1-CD1 3.63Å; F473-L479 HydrophobicContact CE1-CD1 3.31Å; F473-L479 HydrophobicContact CE2-CD1 4.37Å; F473-L479 HydrophobicContact CG-CD1 4.31Å; F473-L479 HydrophobicContact CZ-CD1 3.71Å; F473-L479 WeakPolarHBondContact O-CD1 3.45Å
474	C	74	Confident	86.2	Confident	81 Å²	81	83.7 Å²	83.7	55%	0.547	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-63.7	-21.4	177	-58.3	0	0	0	0	114	R472 N476	R472-C474 PolarHBondContact O-N 3.21Å; R472-C474 VanDerWaalsContact O-N 3.12Å; C474-N476 VanDerWaalsContact C-N 3.29Å
475	H	77.7	Confident	86.4	Confident	49 Å²	49	76.8 Å²	76.8	23%	0.227	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-90.1	12.6	174.6	-64.2	-60.7	0	0	0	112.7	Q471 R472 F473 R548	Q471-H475 HydrophobicContact CB-CB 4.15Å; R472-H475 WeakPolarHBondContact O-CA 3.4Å; R472-H475 WeakPolarHBondContact O-CB 3.11Å; R472-H475 PolarHBondContact O-N 3.35Å; F473-H475 PolarHBondContact O-N 2.61Å; H475-R548 PolarHBondContact O-NH2 2.95Å
476	N	87.3	Confident	86.6	Confident	65 Å²	65	75.6 Å²	75.6	35%	0.348	39%	0.389	S	S	.	.	S	Bend	trans	-62.3	141.6	166.9	-73.4	-20.1	0	0	0	110.7	F473 C474 L478 L479 S480	F473-N476 WeakPolarHBondContact CD2-ND2 3.34Å; F473-N476 WeakPolarHBondContact CE2-ND2 3.39Å; F473-N476 VanDerWaalsContact O-CB 3.23Å; F473-N476 WeakPolarHBondContact O-CB 3.4Å; F473-N476 PolarHBondContact O-N 2.87Å; F473-N476 PolarHBondContact O-ND2 3.44Å; C474-N476 VanDerWaalsContact C-N 3.29Å; N476-L478 VanDerWaalsContact C-N 3.27Å; N476-L478 PolarHBondContact O-N 3.12Å; N476-L479 HydrophobicContact CB-CD1 4.35Å; N476-L479 PolarHBondContact O-N 3.35Å; N476-S480 VanDerWaalsContact O-CB 3.26Å; N476-S480 WeakPolarHBondContact O-CB 3.48Å; N476-S480 PolarHBondContact O-N 2.87Å
477	L	88.9	Confident	86.8	Confident	79 Å²	79	73.9 Å²	73.9	41%	0.414	39%	0.387	S	S	.	.	H	α-helix	trans	-54.7	-43.8	-178.1	178.2	63.4	0	0	0	111.9	T481 R548 I551 T552	L477-T481 VanDerWaalsContact O-CB 3.31Å; L477-T481 WeakPolarHBondContact O-CB 3.48Å; L477-T481 PolarHBondContact O-N 2.99Å; L477-T481 PolarHBondContact O-OG1 3.36Å; L477-R548 HydrophobicContact CD1-CG 3.93Å; L477-I551 HydrophobicContact CD1-CB 4.24Å; L477-I551 HydrophobicContact CD1-CG2 3.96Å; L477-I551 HydrophobicContact CD2-CD1 4.21Å; L477-I551 HydrophobicContact CG-CG2 4.38Å; L477-T552 HydrophobicContact CD1-CG2 4.25Å
478	L	89.7	Confident	87.1	Confident	130 Å²	130	69.9 Å²	69.9	68%	0.681	35%	0.354	S	S	*	.	H	α-helix	trans	-62.9	-52.4	-178.7	-176.4	64.8	0	0	0	112	N476 S480 T481 L482	N476-L478 VanDerWaalsContact C-N 3.27Å; N476-L478 PolarHBondContact O-N 3.12Å; L478-S480 PolarHBondContact O-N 3.06Å; L478-T481 WeakPolarHBondContact O-CB 3.25Å; L478-T481 PolarHBondContact O-N 3.35Å; L478-T481 VanDerWaalsContact O-N 3.17Å; L478-L482 WeakPolarHBondContact O-CG 3.24Å; L478-L482 PolarHBondContact O-N 2.85Å
479	L	90.5	Very high	87.4	Confident	37 Å²	37	68.8 Å²	68.8	19%	0.194	35%	0.346	C	S	.	.	H	α-helix	trans	-64	-42.9	-180	-70.4	170.4	0	0	0	111.6	F473 N476 T481 L482 Y483	F473-L479 HydrophobicContact CD1-CD1 3.63Å; F473-L479 HydrophobicContact CE1-CD1 3.31Å; F473-L479 HydrophobicContact CE2-CD1 4.37Å; F473-L479 HydrophobicContact CG-CD1 4.31Å; F473-L479 HydrophobicContact CZ-CD1 3.71Å; F473-L479 WeakPolarHBondContact O-CD1 3.45Å; N476-L479 HydrophobicContact CB-CD1 4.35Å; N476-L479 PolarHBondContact O-N 3.35Å; L479-T481 PolarHBondContact O-N 3.4Å; L479-L482 PolarHBondContact O-N 3.08Å; L479-Y483 HydrophobicContact CB-CD2 4.43Å; L479-Y483 HydrophobicContact CB-CE2 4.18Å; L479-Y483 WeakPolarHBondContact O-CD2 3.35Å; L479-Y483 PolarHBondContact O-N 3.18Å
480	S	89.6	Confident	87.5	Confident	13 Å²	13	67.3 Å²	67.3	9%	0.091	34%	0.341	C	S	.	.	H	α-helix	trans	-60.6	-35.9	175.6	-169.2	0	0	0	0	112.1	N476 L478 S484 R548	N476-S480 VanDerWaalsContact O-CB 3.26Å; N476-S480 WeakPolarHBondContact O-CB 3.48Å; N476-S480 PolarHBondContact O-N 2.87Å; L478-S480 PolarHBondContact O-N 3.06Å; S480-S484 WeakPolarHBondContact O-CB 3.41Å; S480-S484 PolarHBondContact O-N 3.44Å; S480-S484 PolarHBondContact O-OG 3.49Å; S480-R548 PolarHBondContact OG-NH1 3.25Å; S480-R548 PolarHBondContact OG-NH2 3.26Å
481	T	93.3	Very high	87.8	Confident	12 Å²	12	59.3 Å²	59.3	7%	0.074	30%	0.298	C	S	.	.	H	α-helix	trans	-69.8	-41	177.7	-58.8	0	0	0	0	111.3	L477 L478 L479 G485 I551 G555	L477-T481 VanDerWaalsContact O-CB 3.31Å; L477-T481 WeakPolarHBondContact O-CB 3.48Å; L477-T481 PolarHBondContact O-N 2.99Å; L477-T481 PolarHBondContact O-OG1 3.36Å; L478-T481 WeakPolarHBondContact O-CB 3.25Å; L478-T481 PolarHBondContact O-N 3.35Å; L478-T481 VanDerWaalsContact O-N 3.17Å; L479-T481 PolarHBondContact O-N 3.4Å; T481-G485 PolarHBondContact O-N 3.45Å; T481-I551 HydrophobicContact CG2-CG2 4.43Å; T481-G555 VanDerWaalsContact CG2-CA 3.4Å
482	L	93	Very high	88.2	Confident	59 Å²	59	57 Å²	57	31%	0.309	29%	0.288	S	S	.	.	H	α-helix	trans	-64.7	-52.5	175.5	-66.3	173.4	0	0	0	111.2	L478 L479 S484 G485 A486 V558 Y559	L478-L482 WeakPolarHBondContact O-CG 3.24Å; L478-L482 PolarHBondContact O-N 2.85Å; L479-L482 PolarHBondContact O-N 3.08Å; L482-S484 VanDerWaalsContact C-N 3.33Å; L482-S484 PolarHBondContact O-N 3.11Å; L482-G485 PolarHBondContact O-N 3.15Å; L482-A486 PolarHBondContact O-N 3.08Å; L482-A486 VanDerWaalsContact O-N 3.13Å; L482-V558 HydrophobicContact CD2-CG1 4.16Å; L482-Y559 HydrophobicContact CD2-CE2 4.49Å; L482-Y559 VanDerWaalsContact O-CE2 3.23Å; L482-Y559 WeakPolarHBondContact O-CE2 3.44Å; L482-Y559 PolarHBondContact O-OH 3.45Å
483	Y	89.6	Confident	88.7	Confident	156 Å²	156	51.8 Å²	51.8	61%	0.612	27%	0.271	S	S	*	.	H	α-helix	trans	-61.7	-40.6	179.6	-67.3	-54.4	0	0	0	113.1	L479	L479-Y483 HydrophobicContact CB-CD2 4.43Å; L479-Y483 HydrophobicContact CB-CE2 4.18Å; L479-Y483 WeakPolarHBondContact O-CD2 3.35Å; L479-Y483 PolarHBondContact O-N 3.18Å
484	S	89	Confident	89.2	Confident	11 Å²	11	45.8 Å²	45.8	8%	0.077	25%	0.245	C	C	.	.	H	α-helix	trans	-70.8	-36.1	179	-59	0	0	0	0	112	S480 L482 P488 V529 T552	S480-S484 WeakPolarHBondContact O-CB 3.41Å; S480-S484 PolarHBondContact O-N 3.44Å; S480-S484 PolarHBondContact O-OG 3.49Å; L482-S484 VanDerWaalsContact C-N 3.33Å; L482-S484 PolarHBondContact O-N 3.11Å; S484-P488 WeakPolarHBondContact O-CD 3.15Å; S484-V529 VanDerWaalsContact CB-CG1 3.41Å; S484-V529 WeakPolarHBondContact O-CG1 3.43Å; S484-T552 WeakPolarHBondContact CB-O 3.41Å
485	G	92.5	Very high	89.8	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-74.8	-25.3	-178	0	0	0	0	0	114.8	T481 L482 L487 P488 F489 G555	T481-G485 PolarHBondContact O-N 3.45Å; L482-G485 PolarHBondContact O-N 3.15Å; G485-L487 PolarHBondContact O-N 3.45Å; G485-P488 WeakPolarHBondContact O-CD 3.08Å; G485-F489 WeakPolarHBondContact O-CB 3.43Å; G485-F489 PolarHBondContact O-N 2.96Å; G485-G555 VanDerWaalsContact CA-C 3.5Å
486	A	92.3	Very high	90.5	Very high	39 Å²	39	40.3 Å²	40.3	32%	0.322	21%	0.212	S	C	.	.	H	α-helix	trans	-62.4	-41.5	-174.6	0	0	0	0	0	112.7	L482 G490 Y559	L482-A486 PolarHBondContact O-N 3.08Å; L482-A486 VanDerWaalsContact O-N 3.13Å; A486-G490 PolarHBondContact O-N 2.99Å; A486-Y559 HydrophobicContact CB-CE1 4.35Å; A486-Y559 HydrophobicContact CB-CE2 4.06Å; A486-Y559 VanDerWaalsContact N-CE2 3.32Å
487	L	90.1	Very high	90.5	Very high	60 Å²	60	40 Å²	40	31%	0.314	21%	0.208	S	C	.	.	H	α-helix	trans	-71.9	-50.8	-175.4	-67.8	158.7	0	0	0	112.8	I267 L271 G485 F489 G490 A491 V529	I267-L487 HydrophobicContact CG2-CD2 4.35Å; L271-L487 HydrophobicContact CD1-CB 4.31Å; L271-L487 HydrophobicContact CD1-CD1 4.42Å; L271-L487 HydrophobicContact CD2-CD1 3.58Å; G485-L487 PolarHBondContact O-N 3.45Å; L487-F489 VanDerWaalsContact C-N 3.28Å; L487-F489 PolarHBondContact O-N 2.98Å; L487-G490 PolarHBondContact O-N 3.39Å; L487-A491 PolarHBondContact O-N 2.92Å; L487-V529 HydrophobicContact CB-CG2 4.31Å; L487-V529 HydrophobicContact CD1-CG2 4.1Å
488	P	93	Very high	90.4	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-61.8	-35.3	175	-20.9	32.3	0	0	0	112.7	S484 G485 A491 V492 L522 C525 V529 A556	S484-P488 WeakPolarHBondContact O-CD 3.15Å; G485-P488 WeakPolarHBondContact O-CD 3.08Å; P488-A491 PolarHBondContact O-N 3.06Å; P488-V492 PolarHBondContact O-N 3.31Å; P488-L522 HydrophobicContact CB-CD1 3.91Å; P488-C525 HydrophobicContact CB-CB 4.39Å; P488-C525 HydrophobicContact CG-CB 4.43Å; P488-V529 HydrophobicContact CG-CG2 4.44Å; P488-A556 HydrophobicContact CB-CB 4.04Å
489	F	93	Very high	90.3	Very high	22 Å²	22	34.1 Å²	34.1	10%	0.096	18%	0.176	C	C	.	.	H	α-helix	trans	-66.1	-45.6	174.4	178.8	-104.4	0	0	0	112	G485 L487 A491 V492 F493 A556 Y559 L560 Y563	G485-F489 WeakPolarHBondContact O-CB 3.43Å; G485-F489 PolarHBondContact O-N 2.96Å; L487-F489 VanDerWaalsContact C-N 3.28Å; L487-F489 PolarHBondContact O-N 2.98Å; F489-A491 PolarHBondContact O-N 3.49Å; F489-V492 CarbonylContact O-C 3.6Å; F489-V492 WeakPolarHBondContact O-CG2 3.37Å; F489-V492 PolarHBondContact O-N 2.88Å; F489-F493 AromaticContact CE1-CD2 3.64Å; F489-F493 HydrophobicContact CE1-CD2 3.64Å; F489-F493 HydrophobicContact CE1-CE2 4.32Å; F489-F493 AromaticContact CZ-CD2 3.65Å; F489-F493 HydrophobicContact CZ-CD2 3.65Å; F489-F493 HydrophobicContact CZ-CE2 4.29Å; F489-F493 PolarHBondContact O-N 3.36Å; F489-A556 HydrophobicContact CB-CB 4.32Å; F489-Y559 HydrophobicContact CB-CD2 4.45Å; F489-Y559 HydrophobicContact CB-CG 4.16Å; F489-Y559 VanDerWaalsContact CD1-CB 3.48Å; F489-Y559 HydrophobicContact CD1-CD1 4.25Å; F489-Y559 HydrophobicContact CD1-CG 4.07Å; F489-Y559 HydrophobicContact CG-CG 4.12Å; F489-L560 HydrophobicContact CD2-CB 4.44Å; F489-L560 HydrophobicContact CE2-CB 4.28Å; F489-L560 HydrophobicContact CE2-CD1 4.39Å; F489-Y563 HydrophobicContact CZ-CG 4.15Å
490	G	89.9	Confident	90.4	Very high	26 Å²	26	32.5 Å²	32.5	27%	0.268	17%	0.167	S	C	.	.	H	α-helix	trans	-57.4	-36	175.8	0	0	0	0	0	112.9	A486 L487 V492	A486-G490 PolarHBondContact O-N 2.99Å; L487-G490 PolarHBondContact O-N 3.39Å; G490-V492 VanDerWaalsContact C-N 3.3Å; G490-V492 PolarHBondContact O-N 3.43Å
491	A	89.2	Confident	90.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-69.2	-22.7	176.9	0	0	0	0	0	114	S264 I267 L487 P488 F489 I521	S264-A491 WeakPolarHBondContact CB-O 3.47Å; S264-A491 PolarHBondContact OG-O 2.81Å; I267-A491 HydrophobicContact CD1-CB 4.33Å; L487-A491 PolarHBondContact O-N 2.92Å; P488-A491 PolarHBondContact O-N 3.06Å; F489-A491 PolarHBondContact O-N 3.49Å; A491-I521 HydrophobicContact CB-CG2 4.13Å
492	V	91.2	Very high	89.7	Confident	9 Å²	9	33.2 Å²	33.2	6%	0.055	17%	0.172	C	C	.	.	H	α-helix	trans	-110.8	-3.7	179.7	-57	0	0	0	0	113.8	P488 F489 G490 I494 E495 V496 V518 L522 F594	P488-V492 PolarHBondContact O-N 3.31Å; F489-V492 CarbonylContact O-C 3.6Å; F489-V492 WeakPolarHBondContact O-CG2 3.37Å; F489-V492 PolarHBondContact O-N 2.88Å; G490-V492 VanDerWaalsContact C-N 3.3Å; G490-V492 PolarHBondContact O-N 3.43Å; V492-I494 VanDerWaalsContact C-N 3.35Å; V492-I494 PolarHBondContact O-N 3.41Å; V492-E495 PolarHBondContact O-N 3.08Å; V492-E495 VanDerWaalsContact O-N 3.15Å; V492-V496 HydrophobicContact CB-CG2 4.36Å; V492-V496 HydrophobicContact CG2-CG2 3.94Å; V492-V496 WeakPolarHBondContact O-CG2 3.42Å; V492-V496 PolarHBondContact O-N 3.23Å; V492-V518 HydrophobicContact CB-CG1 4.23Å; V492-V518 HydrophobicContact CG1-CG1 3.83Å; V492-L522 HydrophobicContact CG1-CB 3.85Å; V492-L522 HydrophobicContact CG1-CD1 3.79Å; V492-L522 HydrophobicContact CG1-CD2 4.24Å; V492-L522 HydrophobicContact CG1-CG 4.15Å; V492-F594 HydrophobicContact CG2-CZ 4.22Å
493	F	91	Very high	89.4	Confident	87 Å²	87	34.5 Å²	34.5	38%	0.382	18%	0.178	S	C	.	.	H	α-helix	trans	-52.6	-46.1	-168.9	174.5	-104.8	0	0	0	114.1	F489 V496 F497 Y563	F489-F493 AromaticContact CE1-CD2 3.64Å; F489-F493 HydrophobicContact CE1-CD2 3.64Å; F489-F493 HydrophobicContact CE1-CE2 4.32Å; F489-F493 AromaticContact CZ-CD2 3.65Å; F489-F493 HydrophobicContact CZ-CD2 3.65Å; F489-F493 HydrophobicContact CZ-CE2 4.29Å; F489-F493 PolarHBondContact O-N 3.36Å; F493-V496 WeakPolarHBondContact O-CB 3.41Å; F493-V496 PolarHBondContact O-N 3.37Å; F493-F497 PolarHBondContact O-N 3Å; F493-Y563 HydrophobicContact CD2-CD2 4.44Å; F493-Y563 HydrophobicContact CD2-CE2 4.45Å; F493-Y563 AromaticContact CE2-CD2 3.64Å; F493-Y563 HydrophobicContact CE2-CD2 3.64Å; F493-Y563 AromaticContact CE2-CE2 3.48Å; F493-Y563 HydrophobicContact CE2-CE2 3.48Å; F493-Y563 VanDerWaalsContact CE2-CE2 3.48Å; F493-Y563 HydrophobicContact CZ-CD2 4.48Å; F493-Y563 AromaticContact CZ-CE2 3.96Å; F493-Y563 HydrophobicContact CZ-CE2 3.96Å
494	I	87.5	Confident	89.3	Confident	25 Å²	25	27.6 Å²	27.6	13%	0.128	15%	0.152	C	C	.	.	H	α-helix	trans	-69.2	-41.1	-177	-57.8	-167.7	0	0	0	110.9	F259 S260 V492 V496 F497 F498	F259-I494 HydrophobicContact CD1-CD1 3.63Å; F259-I494 HydrophobicContact CE1-CD1 4.06Å; S260-I494 WeakPolarHBondContact OG-CB 3.38Å; V492-I494 VanDerWaalsContact C-N 3.35Å; V492-I494 PolarHBondContact O-N 3.41Å; I494-V496 VanDerWaalsContact C-N 3.33Å; I494-V496 PolarHBondContact O-N 3.3Å; I494-F497 WeakPolarHBondContact O-CB 3.46Å; I494-F497 PolarHBondContact O-N 3.34Å; I494-F498 HydrophobicContact CG2-CD2 3.88Å; I494-F498 HydrophobicContact CG2-CE2 3.54Å; I494-F498 WeakPolarHBondContact O-CD2 3.47Å; I494-F498 PolarHBondContact O-N 3.06Å; I494-F498 VanDerWaalsContact O-N 3.1Å
495	E	88	Confident	88.9	Confident	3 Å²	3	30 Å²	30	1%	0.014	16%	0.161	C	C	.	.	H	α-helix	trans	-66.2	-37.1	175	-67.7	-55.3	145.2	0	0	111.7	H257 V492 F497 F498 I499 Y509 V518	H257-E495 IonicContact CE1-OE1 2.71Å; H257-E495 IonicContact CE1-OE2 2.89Å; H257-E495 IonicContact CG-OE1 3.62Å; H257-E495 IonicContact ND1-OE1 2.69Å; H257-E495 PolarHBondContact ND1-OE1 3.05Å; H257-E495 IonicContact ND1-OE2 3.48Å; V492-E495 PolarHBondContact O-N 3.08Å; V492-E495 VanDerWaalsContact O-N 3.15Å; E495-F497 VanDerWaalsContact C-N 3.33Å; E495-F497 PolarHBondContact O-N 2.89Å; E495-F498 PolarHBondContact O-N 3.1Å; E495-I499 WeakPolarHBondContact O-CB 3.41Å; E495-I499 VanDerWaalsContact O-CG1 3.23Å; E495-I499 WeakPolarHBondContact O-CG1 3.39Å; E495-I499 PolarHBondContact O-N 3.27Å; E495-Y509 WeakPolarHBondContact OE2-CE2 3.43Å; E495-Y509 PolarHBondContact OE2-OH 3.11Å; E495-V518 HydrophobicContact CB-CG1 4.35Å; E495-V518 HydrophobicContact CG-CB 4.04Å; E495-V518 HydrophobicContact CG-CG1 3.92Å; E495-V518 HydrophobicContact CG-CG2 3.78Å
496	V	90.8	Very high	87.9	Confident	13 Å²	13	31.6 Å²	31.6	8%	0.079	17%	0.173	C	C	.	.	H	α-helix	trans	-58.4	-45.5	171.4	169.8	0	0	0	0	110.6	V492 F493 I494 F498 I499 Y500 L560 Y563	V492-V496 HydrophobicContact CB-CG2 4.36Å; V492-V496 HydrophobicContact CG2-CG2 3.94Å; V492-V496 WeakPolarHBondContact O-CG2 3.42Å; V492-V496 PolarHBondContact O-N 3.23Å; F493-V496 WeakPolarHBondContact O-CB 3.41Å; F493-V496 PolarHBondContact O-N 3.37Å; I494-V496 VanDerWaalsContact C-N 3.33Å; I494-V496 PolarHBondContact O-N 3.3Å; V496-F498 VanDerWaalsContact C-N 3.33Å; V496-F498 PolarHBondContact O-N 3.16Å; V496-I499 PolarHBondContact O-N 2.99Å; V496-Y500 HydrophobicContact CG1-CD2 3.75Å; V496-Y500 HydrophobicContact CG1-CE2 3.7Å; V496-Y500 VanDerWaalsContact O-CD2 3.26Å; V496-Y500 WeakPolarHBondContact O-CD2 3.21Å; V496-Y500 PolarHBondContact O-N 3.03Å; V496-L560 HydrophobicContact CB-CD1 4.45Å; V496-L560 HydrophobicContact CG1-CD1 3.49Å; V496-L560 VanDerWaalsContact CG1-CD1 3.49Å; V496-L560 HydrophobicContact CG2-CD1 4.02Å; V496-Y563 HydrophobicContact CG1-CD1 3.83Å; V496-Y563 HydrophobicContact CG1-CE1 3.91Å
497	F	89	Confident	86.9	Confident	59 Å²	59	32.2 Å²	32.2	26%	0.259	17%	0.169	S	C	.	.	H	α-helix	trans	-56.7	-45.6	175.5	167.3	-103.6	0	0	0	112.1	F493 I494 E495 Y500 N501 Y563	F493-F497 PolarHBondContact O-N 3Å; I494-F497 WeakPolarHBondContact O-CB 3.46Å; I494-F497 PolarHBondContact O-N 3.34Å; E495-F497 VanDerWaalsContact C-N 3.33Å; E495-F497 PolarHBondContact O-N 2.89Å; F497-Y500 PolarHBondContact O-N 3.22Å; F497-N501 WeakPolarHBondContact CE1-ND2 3.46Å; F497-N501 WeakPolarHBondContact CE2-ND2 3.47Å; F497-N501 WeakPolarHBondContact CZ-ND2 3.42Å; F497-N501 PolarHBondContact O-N 3.01Å; F497-N501 PolarHBondContact O-ND2 3.46Å; F497-Y563 VanDerWaalsContact CD2-OH 3.28Å; F497-Y563 WeakPolarHBondContact CD2-OH 3.37Å
498	F	85.4	Confident	85.9	Confident	29 Å²	29	32.2 Å²	32.2	13%	0.127	17%	0.167	C	C	.	.	H	α-helix	trans	-65.8	-38.8	177.3	-75.5	-67.1	0	0	0	113.1	L256 H257 I494 E495 V496 Y500 N501 A502 Y509	L256-F498 HydrophobicContact CB-CE2 4.13Å; L256-F498 HydrophobicContact CB-CZ 3.79Å; L256-F498 HydrophobicContact CD1-CZ 3.99Å; H257-F498 AromaticContact CE1-CD2 3.24Å; H257-F498 WeakPolarHBondContact CE1-CD2 3.43Å; H257-F498 AromaticContact CE1-CE2 3.44Å; H257-F498 VanDerWaalsContact CE1-CE2 3.44Å; H257-F498 WeakPolarHBondContact CE1-CE2 3.46Å; H257-F498 AromaticContact CE1-CG 3.6Å; H257-F498 AromaticContact CE1-CZ 3.95Å; H257-F498 AromaticContact ND1-CD2 3.79Å; H257-F498 AromaticContact ND1-CE2 3.78Å; H257-F498 AromaticContact NE2-CD2 3.82Å; H257-F498 AromaticContact NE2-CE1 3.87Å; H257-F498 AromaticContact NE2-CE2 3.65Å; H257-F498 AromaticContact NE2-CZ 3.68Å; I494-F498 HydrophobicContact CG2-CD2 3.88Å; I494-F498 HydrophobicContact CG2-CE2 3.54Å; I494-F498 WeakPolarHBondContact O-CD2 3.47Å; I494-F498 PolarHBondContact O-N 3.06Å; I494-F498 VanDerWaalsContact O-N 3.1Å; E495-F498 PolarHBondContact O-N 3.1Å; V496-F498 VanDerWaalsContact C-N 3.33Å; V496-F498 PolarHBondContact O-N 3.16Å; F498-Y500 VanDerWaalsContact C-N 3.34Å; F498-N501 PolarHBondContact O-N 3.02Å; F498-A502 WeakPolarHBondContact O-CB 3.36Å; F498-A502 PolarHBondContact O-N 3.03Å; F498-Y509 HydrophobicContact CB-CD2 4.01Å; F498-Y509 HydrophobicContact CB-CE2 3.89Å
499	I	89	Confident	84.6	Confident	55 Å²	55	33.9 Å²	33.9	28%	0.282	17%	0.173	S	C	.	.	H	α-helix	trans	-62	-42.8	174.8	-69.6	164.3	0	0	0	110.5	E495 V496 A502 I503 Y509 L515	E495-I499 WeakPolarHBondContact O-CB 3.41Å; E495-I499 VanDerWaalsContact O-CG1 3.23Å; E495-I499 WeakPolarHBondContact O-CG1 3.39Å; E495-I499 PolarHBondContact O-N 3.27Å; V496-I499 PolarHBondContact O-N 2.99Å; I499-A502 PolarHBondContact O-N 2.92Å; I499-I503 HydrophobicContact CG2-CD1 3.65Å; I499-I503 HydrophobicContact CG2-CG1 4.41Å; I499-I503 VanDerWaalsContact O-CG1 3.3Å; I499-I503 WeakPolarHBondContact O-CG1 3.4Å; I499-I503 PolarHBondContact O-N 3.43Å; I499-Y509 HydrophobicContact CG1-CE2 4.49Å; I499-L515 HydrophobicContact CD1-CD1 4.12Å
500	Y	90.9	Very high	83.4	Confident	4 Å²	4	36 Å²	36	2%	0.016	18%	0.181	C	C	.	.	H	α-helix	trans	-64.6	-43.6	177.1	-89.4	-105.9	0	0	0	112	V496 F497 F498 A502 I503 W504 L560 Y563 S564 Y567 Y583 M590	V496-Y500 HydrophobicContact CG1-CD2 3.75Å; V496-Y500 HydrophobicContact CG1-CE2 3.7Å; V496-Y500 VanDerWaalsContact O-CD2 3.26Å; V496-Y500 WeakPolarHBondContact O-CD2 3.21Å; V496-Y500 PolarHBondContact O-N 3.03Å; F497-Y500 PolarHBondContact O-N 3.22Å; F498-Y500 VanDerWaalsContact C-N 3.34Å; Y500-A502 VanDerWaalsContact C-N 3.29Å; Y500-A502 PolarHBondContact O-N 3.17Å; Y500-I503 PolarHBondContact O-N 3.21Å; Y500-W504 AromaticContact CD1-CD1 3.64Å; Y500-W504 AromaticContact CD1-NE1 3.58Å; Y500-W504 AromaticContact CE1-NE1 3.89Å; Y500-W504 WeakPolarHBondContact O-CB 3.44Å; Y500-W504 VanDerWaalsContact O-CD1 3.24Å; Y500-W504 PolarHBondContact O-N 2.94Å; Y500-L560 HydrophobicContact CE2-CD1 4.11Å; Y500-Y563 HydrophobicContact CD2-CD1 4.48Å; Y500-Y563 HydrophobicContact CD2-CE1 4.17Å; Y500-Y563 HydrophobicContact CE2-CD1 4.32Å; Y500-Y563 HydrophobicContact CE2-CE1 4.46Å; Y500-Y563 HydrophobicContact CG-CE1 4.24Å; Y500-S564 WeakPolarHBondContact OH-CB 3.35Å; Y500-Y567 AromaticContact CD1-CD1 3.92Å; Y500-Y567 HydrophobicContact CD1-CD1 3.92Å; Y500-Y567 HydrophobicContact CD1-CD2 4.45Å; Y500-Y567 HydrophobicContact CD1-CE1 4.29Å; Y500-Y567 HydrophobicContact CD1-CG 4Å; Y500-Y583 HydrophobicContact CE1-CE2 4.37Å; Y500-Y583 WeakPolarHBondContact CE1-OH 3.32Å; Y500-M590 HydrophobicContact CE1-CE 4.25Å; Y500-M590 HydrophobicContact CE2-CE 4.35Å
501	N	86.1	Confident	82.5	Confident	19 Å²	19	37.4 Å²	37.4	10%	0.102	18%	0.182	C	C	.	.	H	α-helix	trans	-62.5	-38.1	174.8	-65.5	-20.8	0	0	0	111.8	F497 F498 E505 Y567	F497-N501 WeakPolarHBondContact CE1-ND2 3.46Å; F497-N501 WeakPolarHBondContact CE2-ND2 3.47Å; F497-N501 WeakPolarHBondContact CZ-ND2 3.42Å; F497-N501 PolarHBondContact O-N 3.01Å; F497-N501 PolarHBondContact O-ND2 3.46Å; F498-N501 PolarHBondContact O-N 3.02Å; N501-E505 CarbonylContact O-C 3.6Å; N501-E505 WeakPolarHBondContact O-CA 3.37Å; N501-E505 VanDerWaalsContact O-CB 3.28Å; N501-E505 WeakPolarHBondContact O-CB 3.41Å; N501-E505 PolarHBondContact O-N 3.31Å; N501-Y567 WeakPolarHBondContact OD1-CE2 3.36Å; N501-Y567 PolarHBondContact OD1-OH 3.33Å
502	A	83.9	Confident	82.1	Confident	21 Å²	21	38.5 Å²	38.5	17%	0.174	19%	0.187	C	C	.	.	H	α-helix	trans	-66.7	-43.3	178.5	0	0	0	0	0	112.5	F498 I499 Y500 Q507	F498-A502 WeakPolarHBondContact O-CB 3.36Å; F498-A502 PolarHBondContact O-N 3.03Å; I499-A502 PolarHBondContact O-N 2.92Å; Y500-A502 VanDerWaalsContact C-N 3.29Å; Y500-A502 PolarHBondContact O-N 3.17Å; A502-Q507 VanDerWaalsContact CA-O 3.26Å; A502-Q507 WeakPolarHBondContact CA-O 3.41Å; A502-Q507 WeakPolarHBondContact CB-O 3.48Å
503	I	86	Confident	81.7	Confident	85 Å²	85	39.6 Å²	39.6	44%	0.436	20%	0.199	S	C	.	.	H	α-helix	trans	-72.4	-47	-178.4	-65.4	169.8	0	0	0	111.3	I499 Y500 M590	I499-I503 HydrophobicContact CG2-CD1 3.65Å; I499-I503 HydrophobicContact CG2-CG1 4.41Å; I499-I503 VanDerWaalsContact O-CG1 3.3Å; I499-I503 WeakPolarHBondContact O-CG1 3.4Å; I499-I503 PolarHBondContact O-N 3.43Å; Y500-I503 PolarHBondContact O-N 3.21Å; I503-M590 HydrophobicContact CD1-SD 4.28Å
504	W	87.1	Confident	81.3	Confident	12 Å²	12	37 Å²	37	5%	0.045	19%	0.188	C	C	.	.	H	α-helix	trans	-99.9	-32	-169	-54.5	112.8	0	0	0	113.8	Q48 Y500 S506 Y567 L572 I582 Y583 Y586	Q48-W504 VanDerWaalsContact CD-O 3.23Å; Q48-W504 PolarHBondContact NE2-O 3.42Å; Q48-W504 PolarHBondContact OE1-O 2.99Å; Y500-W504 AromaticContact CD1-CD1 3.64Å; Y500-W504 AromaticContact CD1-NE1 3.58Å; Y500-W504 AromaticContact CE1-NE1 3.89Å; Y500-W504 WeakPolarHBondContact O-CB 3.44Å; Y500-W504 VanDerWaalsContact O-CD1 3.24Å; Y500-W504 PolarHBondContact O-N 2.94Å; W504-S506 VanDerWaalsContact C-N 3.32Å; W504-Y567 HydrophobicContact CB-CE1 4.42Å; W504-L572 HydrophobicContact CB-CD2 4.15Å; W504-I582 HydrophobicContact CZ3-CG2 4.44Å; W504-Y583 AromaticContact CD1-CE2 3.88Å; W504-Y583 AromaticContact CD2-CD2 3.74Å; W504-Y583 HydrophobicContact CD2-CD2 3.74Å; W504-Y583 HydrophobicContact CD2-CE2 4Å; W504-Y583 AromaticContact CE2-CD2 3.48Å; W504-Y583 VanDerWaalsContact CE2-CD2 3.48Å; W504-Y583 AromaticContact CE2-CE2 3.58Å; W504-Y583 HydrophobicContact CE3-CD2 4.07Å; W504-Y583 HydrophobicContact CG-CD2 4.33Å; W504-Y583 HydrophobicContact CG-CE2 4.19Å; W504-Y583 AromaticContact CH2-CD2 3.96Å; W504-Y583 HydrophobicContact CH2-CD2 3.96Å; W504-Y583 AromaticContact CZ2-CD2 3.6Å; W504-Y583 HydrophobicContact CZ2-CD2 3.6Å; W504-Y583 HydrophobicContact CZ2-CE2 4.02Å; W504-Y583 HydrophobicContact CZ2-CG 4.44Å; W504-Y583 HydrophobicContact CZ3-CD2 4.18Å; W504-Y583 AromaticContact NE1-CD2 3.92Å; W504-Y583 AromaticContact NE1-CE2 3.49Å; W504-Y586 HydrophobicContact CH2-CD2 4.12Å
505	E	80.4	Confident	81.3	Confident	60 Å²	60	37.3 Å²	37.3	28%	0.28	19%	0.19	S	C	.	.	S	Bend	trans	-92.8	7.5	174.6	-63.1	-173.4	-178.2	0	0	112.7	N501 Q507	N501-E505 CarbonylContact O-C 3.6Å; N501-E505 WeakPolarHBondContact O-CA 3.37Å; N501-E505 VanDerWaalsContact O-CB 3.28Å; N501-E505 WeakPolarHBondContact O-CB 3.41Å; N501-E505 PolarHBondContact O-N 3.31Å; E505-Q507 HydrophobicContact CB-CG 3.95Å; E505-Q507 PolarHBondContact O-N 3.41Å
506	S	72	Confident	81.5	Confident	34 Å²	34	38.7 Å²	38.7	24%	0.238	20%	0.196	C	C	.	.			trans	54.4	33.9	-178.5	-57.4	0	0	0	0	113.4	W504	W504-S506 VanDerWaalsContact C-N 3.32Å
507	Q	71.5	Confident	81.4	Confident	52 Å²	52	40.9 Å²	40.9	24%	0.243	21%	0.209	C	C	.	.			trans	-84.8	155.6	176.1	-60	-69	-53.6	0	0	111.1	A502 E505	A502-Q507 VanDerWaalsContact CA-O 3.26Å; A502-Q507 WeakPolarHBondContact CA-O 3.41Å; A502-Q507 WeakPolarHBondContact CB-O 3.48Å; E505-Q507 HydrophobicContact CB-CG 3.95Å; E505-Q507 PolarHBondContact O-N 3.41Å
508	F	69.4	Low	81.5	Confident	61 Å²	61	38.3 Å²	38.3	27%	0.268	20%	0.198	S	C	.	.			trans	-79.4	128	174.6	-61.2	-69	0	0	0	111.4	P131 H148 W245 Y248	P131-F508 HydrophobicContact CB-CZ 3.97Å; P131-F508 HydrophobicContact CG-CE1 3.98Å; P131-F508 HydrophobicContact CG-CE2 4.17Å; P131-F508 HydrophobicContact CG-CZ 3.38Å; H148-F508 HydrophobicContact CB-CE2 3.9Å; H148-F508 HydrophobicContact CB-CZ 4.11Å; H148-F508 AromaticContact CD2-CZ 3.83Å; H148-F508 AromaticContact CE1-CZ 3.61Å; H148-F508 AromaticContact CG-CE2 3.83Å; H148-F508 AromaticContact CG-CZ 3.5Å; H148-F508 AromaticContact ND1-CE2 3.87Å; H148-F508 AromaticContact ND1-CZ 3.34Å; H148-F508 VanDerWaalsContact ND1-CZ 3.34Å; H148-F508 WeakPolarHBondContact ND1-CZ 3.22Å; H148-F508 AromaticContact NE2-CZ 3.88Å; W245-F508 HydrophobicContact CH2-CE1 4.4Å; W245-F508 AromaticContact CZ3-CD1 3.93Å; W245-F508 HydrophobicContact CZ3-CD1 3.93Å; W245-F508 AromaticContact CZ3-CE1 3.77Å; W245-F508 HydrophobicContact CZ3-CE1 3.77Å; W245-F508 HydrophobicContact CZ3-CZ 4.21Å; Y248-F508 HydrophobicContact CD1-CD2 4.38Å; Y248-F508 HydrophobicContact CD1-CE2 4Å; Y248-F508 HydrophobicContact CG-CD2 4.17Å; Y248-F508 HydrophobicContact CG-CE2 4.11Å
509	Y	65.7	Low	81.9	Confident	35 Å²	35	37.5 Å²	37.5	14%	0.137	19%	0.194	C	C	.	.			trans	-101.4	115.1	163.2	-171.7	-85.5	0	0	0	109	E495 F498 I499 F512 L515	E495-Y509 WeakPolarHBondContact OE2-CE2 3.43Å; E495-Y509 PolarHBondContact OE2-OH 3.11Å; F498-Y509 HydrophobicContact CB-CD2 4.01Å; F498-Y509 HydrophobicContact CB-CE2 3.89Å; I499-Y509 HydrophobicContact CG1-CE2 4.49Å; Y509-F512 HydrophobicContact CD1-CD1 4.35Å; Y509-F512 HydrophobicContact CD1-CE1 4.05Å; Y509-F512 HydrophobicContact CD1-CZ 4.35Å; Y509-F512 HydrophobicContact CE1-CD1 4.25Å; Y509-F512 HydrophobicContact CE1-CE1 4.37Å; Y509-L515 HydrophobicContact CE1-CB 4.11Å; Y509-L515 HydrophobicContact CE1-CD2 4.06Å; Y509-L515 WeakPolarHBondContact OH-CB 3.47Å
510	Y	66.9	Low	82.1	Confident	68 Å²	68	37.7 Å²	37.7	27%	0.267	20%	0.195	S	C	.	.			trans	-122.5	-15.2	-175.3	-169.9	-96.5	0	0	0	114.2	W245 L249 P350 F512	W245-Y510 HydrophobicContact CB-CE2 4.36Å; L249-Y510 HydrophobicContact CD1-CD1 3.16Å; L249-Y510 HydrophobicContact CD1-CD2 4.38Å; L249-Y510 HydrophobicContact CD1-CE1 3.74Å; L249-Y510 HydrophobicContact CD1-CG 3.53Å; L249-Y510 VanDerWaalsContact CD2-CB 3.44Å; L249-Y510 HydrophobicContact CD2-CD1 4.47Å; L249-Y510 HydrophobicContact CD2-CG 4.09Å; L249-Y510 HydrophobicContact CG-CD1 4.43Å; L249-Y510 HydrophobicContact CG-CG 4.44Å; P350-Y510 HydrophobicContact CG-CD2 3.95Å; P350-Y510 HydrophobicContact CG-CE2 4.5Å; Y510-F512 WeakPolarHBondContact O-CD2 3.26Å; Y510-F512 PolarHBondContact O-N 3.18Å
511	L	71.5	Confident	82.1	Confident	55 Å²	55	38 Å²	38	29%	0.288	20%	0.198	S	C	.	.			trans	-85.4	59.2	-173.1	-66.3	160.3	0	0	0	112.1	H257 G513 F514 L515	H257-L511 WeakPolarHBondContact CD2-CD1 3.45Å; H257-L511 WeakPolarHBondContact NE2-CD1 3.36Å; L511-G513 PolarHBondContact O-N 3.36Å; L511-F514 HydrophobicContact CB-CB 4.4Å; L511-F514 HydrophobicContact CB-CD2 3.45Å; L511-F514 VanDerWaalsContact CB-CD2 3.45Å; L511-F514 HydrophobicContact CB-CE2 4.12Å; L511-F514 HydrophobicContact CB-CG 4.26Å; L511-F514 HydrophobicContact CD1-CD2 3.73Å; L511-F514 HydrophobicContact CD1-CE2 3.74Å; L511-F514 HydrophobicContact CD2-CD2 3.89Å; L511-F514 HydrophobicContact CD2-CE2 3.64Å; L511-F514 HydrophobicContact CG-CD2 3.86Å; L511-F514 HydrophobicContact CG-CE2 4.02Å; L511-F514 PolarHBondContact O-N 3.17Å; L511-L515 PolarHBondContact O-N 3.24Å
512	F	80.7	Confident	82.5	Confident	23 Å²	23	37.4 Å²	37.4	10%	0.101	19%	0.194	C	C	.	.	H	α-helix	trans	-60.3	-26	179.6	-65.7	-72	0	0	0	113.4	A343 P350 I356 Y509 Y510 L515 F516	A343-F512 HydrophobicContact CB-CB 3.88Å; A343-F512 HydrophobicContact CB-CD1 3.6Å; A343-F512 HydrophobicContact CB-CD2 4.11Å; A343-F512 HydrophobicContact CB-CE1 4.17Å; A343-F512 HydrophobicContact CB-CG 3.58Å; P350-F512 HydrophobicContact CG-CE2 3.96Å; P350-F512 HydrophobicContact CG-CZ 4.38Å; I356-F512 HydrophobicContact CD1-CE1 4.06Å; I356-F512 HydrophobicContact CD1-CE2 4.23Å; I356-F512 HydrophobicContact CD1-CZ 3.45Å; I356-F512 VanDerWaalsContact CD1-CZ 3.45Å; Y509-F512 HydrophobicContact CD1-CD1 4.35Å; Y509-F512 HydrophobicContact CD1-CE1 4.05Å; Y509-F512 HydrophobicContact CD1-CZ 4.35Å; Y509-F512 HydrophobicContact CE1-CD1 4.25Å; Y509-F512 HydrophobicContact CE1-CE1 4.37Å; Y510-F512 WeakPolarHBondContact O-CD2 3.26Å; Y510-F512 PolarHBondContact O-N 3.18Å; F512-L515 HydrophobicContact CD1-CD2 4.23Å; F512-L515 WeakPolarHBondContact O-CB 3.43Å; F512-L515 PolarHBondContact O-N 3.27Å; F512-F516 PolarHBondContact O-N 3.23Å
513	G	82.7	Confident	83	Confident	31 Å²	31	38 Å²	38	32%	0.32	19%	0.194	S	C	.	.	H	α-helix	trans	-61.9	-43.3	171.8	0	0	0	0	0	112.8	L511 F516 V517	L511-G513 PolarHBondContact O-N 3.36Å; G513-F516 PolarHBondContact O-N 3.2Å; G513-V517 WeakPolarHBondContact O-CG2 3.28Å; G513-V517 PolarHBondContact O-N 3.44Å; G513-V517 VanDerWaalsContact O-N 3.16Å
514	F	83.7	Confident	83.4	Confident	32 Å²	32	37.1 Å²	37.1	14%	0.14	19%	0.19	C	C	.	.	H	α-helix	trans	-67.7	-40.6	175.1	-61.8	-39.2	0	0	0	111.3	H257 W258 I261 L511 F516 V517 V518	H257-F514 HydrophobicContact CB-CD2 3.43Å; H257-F514 VanDerWaalsContact CB-CD2 3.43Å; H257-F514 HydrophobicContact CB-CE2 3.55Å; H257-F514 HydrophobicContact CB-CG 4.19Å; H257-F514 HydrophobicContact CB-CZ 4.32Å; H257-F514 AromaticContact CG-CD2 3.73Å; W258-F514 HydrophobicContact CD2-CE1 4.49Å; W258-F514 HydrophobicContact CZ2-CE1 4.21Å; W258-F514 HydrophobicContact CZ2-CZ 4.38Å; W258-F514 AromaticContact NE1-CZ 3.87Å; I261-F514 HydrophobicContact CD1-CB 4.17Å; I261-F514 HydrophobicContact CD1-CD1 3.15Å; I261-F514 HydrophobicContact CD1-CE1 3.69Å; I261-F514 HydrophobicContact CD1-CG 3.91Å; I261-F514 HydrophobicContact CG1-CD1 4.48Å; L511-F514 HydrophobicContact CB-CB 4.4Å; L511-F514 HydrophobicContact CB-CD2 3.45Å; L511-F514 VanDerWaalsContact CB-CD2 3.45Å; L511-F514 HydrophobicContact CB-CE2 4.12Å; L511-F514 HydrophobicContact CB-CG 4.26Å; L511-F514 HydrophobicContact CD1-CD2 3.73Å; L511-F514 HydrophobicContact CD1-CE2 3.74Å; L511-F514 HydrophobicContact CD2-CD2 3.89Å; L511-F514 HydrophobicContact CD2-CE2 3.64Å; L511-F514 HydrophobicContact CG-CD2 3.86Å; L511-F514 HydrophobicContact CG-CE2 4.02Å; L511-F514 PolarHBondContact O-N 3.17Å; F514-F516 VanDerWaalsContact C-N 3.27Å; F514-F516 PolarHBondContact O-N 3.48Å; F514-V517 PolarHBondContact O-N 2.89Å; F514-V518 WeakPolarHBondContact O-CB 3.45Å; F514-V518 WeakPolarHBondContact O-CG2 3Å; F514-V518 PolarHBondContact O-N 3.41Å
515	L	87	Confident	83.6	Confident	32 Å²	32	36.6 Å²	36.6	17%	0.168	19%	0.188	C	C	.	.	H	α-helix	trans	-56.2	-42.7	174	-167.2	59.3	0	0	0	112.2	I340 I499 Y509 L511 F512 F519	I340-L515 HydrophobicContact CD1-CD2 4.09Å; I340-L515 HydrophobicContact CD1-CG 4.06Å; I340-L515 HydrophobicContact CG1-CD2 4.06Å; I340-L515 HydrophobicContact CG1-CG 4.44Å; I340-L515 HydrophobicContact CG2-CB 4.31Å; I340-L515 HydrophobicContact CG2-CD2 4.37Å; I340-L515 HydrophobicContact CG2-CG 4.25Å; I499-L515 HydrophobicContact CD1-CD1 4.12Å; Y509-L515 HydrophobicContact CE1-CB 4.11Å; Y509-L515 HydrophobicContact CE1-CD2 4.06Å; Y509-L515 WeakPolarHBondContact OH-CB 3.47Å; L511-L515 PolarHBondContact O-N 3.24Å; F512-L515 HydrophobicContact CD1-CD2 4.23Å; F512-L515 WeakPolarHBondContact O-CB 3.43Å; F512-L515 PolarHBondContact O-N 3.27Å; L515-F519 VanDerWaalsContact O-CB 3.29Å; L515-F519 WeakPolarHBondContact O-CB 3.35Å; L515-F519 PolarHBondContact O-N 3.41Å
516	F	91.1	Very high	84.3	Confident	32 Å²	32	33.7 Å²	33.7	14%	0.14	17%	0.174	C	C	.	.	H	α-helix	trans	-63.3	-48.9	178.4	-172.3	-108.1	0	0	0	111.8	F337 I340 F341 M344 F512 G513 F514 V518 F519 I520	F337-F516 HydrophobicContact CD2-CE2 4.23Å; F337-F516 AromaticContact CE2-CE2 3.88Å; F337-F516 HydrophobicContact CE2-CE2 3.88Å; F337-F516 AromaticContact CE2-CZ 4Å; F337-F516 HydrophobicContact CE2-CZ 4Å; F337-F516 HydrophobicContact CZ-CE2 4.32Å; F337-F516 HydrophobicContact CZ-CZ 4.27Å; I340-F516 HydrophobicContact CB-CD2 4.35Å; I340-F516 HydrophobicContact CG2-CB 3.64Å; I340-F516 HydrophobicContact CG2-CD2 3.78Å; I340-F516 HydrophobicContact CG2-CG 4.21Å; F341-F516 HydrophobicContact CB-CE2 4.13Å; F341-F516 HydrophobicContact CD2-CE2 4.21Å; F341-F516 HydrophobicContact CD2-CZ 4.11Å; M344-F516 HydrophobicContact CB-CB 4.49Å; M344-F516 HydrophobicContact CE-CD1 4.14Å; M344-F516 HydrophobicContact CE-CE1 4.24Å; M344-F516 HydrophobicContact SD-CB 4.02Å; M344-F516 HydrophobicContact SD-CD1 3.55Å; M344-F516 VanDerWaalsContact SD-CD1 3.55Å; M344-F516 HydrophobicContact SD-CE1 4.21Å; M344-F516 HydrophobicContact SD-CG 3.87Å; F512-F516 PolarHBondContact O-N 3.23Å; G513-F516 PolarHBondContact O-N 3.2Å; F514-F516 VanDerWaalsContact C-N 3.27Å; F514-F516 PolarHBondContact O-N 3.48Å; F516-V518 VanDerWaalsContact C-N 3.35Å; F516-V518 PolarHBondContact O-N 2.9Å; F516-F519 WeakPolarHBondContact O-CB 3.31Å; F516-F519 PolarHBondContact O-N 3.05Å; F516-I520 HydrophobicContact CE1-CG1 4.23Å; F516-I520 HydrophobicContact CZ-CD1 4.22Å; F516-I520 HydrophobicContact CZ-CG1 4.37Å; F516-I520 WeakPolarHBondContact O-CG1 3.1Å; F516-I520 PolarHBondContact O-N 3.14Å
517	V	89.8	Confident	85.3	Confident	60 Å²	60	32.3 Å²	32.3	36%	0.364	17%	0.165	S	C	.	.	H	α-helix	trans	-60	-46	178.2	173.8	0	0	0	0	110.9	I261 G513 F514 F519 I520 I521	I261-V517 HydrophobicContact CG2-CG1 4.49Å; G513-V517 WeakPolarHBondContact O-CG2 3.28Å; G513-V517 PolarHBondContact O-N 3.44Å; G513-V517 VanDerWaalsContact O-N 3.16Å; F514-V517 PolarHBondContact O-N 2.89Å; V517-F519 VanDerWaalsContact C-N 3.29Å; V517-F519 PolarHBondContact O-N 3.35Å; V517-I520 PolarHBondContact O-N 3.13Å; V517-I521 HydrophobicContact CG1-CD1 4.02Å; V517-I521 WeakPolarHBondContact O-CG1 3.24Å; V517-I521 PolarHBondContact O-N 3.06Å
518	V	90.7	Very high	86.2	Confident	4 Å²	4	30.5 Å²	30.5	2%	0.024	16%	0.156	C	C	.	.	H	α-helix	trans	-65.6	-33.6	178.2	172.3	0	0	0	0	111.6	I261 V492 E495 F514 F516 I521 L522	I261-V518 HydrophobicContact CG1-CG2 4.38Å; V492-V518 HydrophobicContact CB-CG1 4.23Å; V492-V518 HydrophobicContact CG1-CG1 3.83Å; E495-V518 HydrophobicContact CB-CG1 4.35Å; E495-V518 HydrophobicContact CG-CB 4.04Å; E495-V518 HydrophobicContact CG-CG1 3.92Å; E495-V518 HydrophobicContact CG-CG2 3.78Å; F514-V518 WeakPolarHBondContact O-CB 3.45Å; F514-V518 WeakPolarHBondContact O-CG2 3Å; F514-V518 PolarHBondContact O-N 3.41Å; F516-V518 VanDerWaalsContact C-N 3.35Å; F516-V518 PolarHBondContact O-N 2.9Å; V518-I521 PolarHBondContact O-N 3.49Å; V518-L522 WeakPolarHBondContact O-CB 3.48Å; V518-L522 PolarHBondContact O-N 2.92Å
519	F	93.6	Very high	87.3	Confident	12 Å²	12	28.2 Å²	28.2	5%	0.053	15%	0.147	C	C	.	.	H	α-helix	trans	-65.1	-41.2	173.1	-177.2	-115.8	0	0	0	112.5	F333 V336 F337 I340 L515 F516 V517 L522 I523 L597	F333-F519 HydrophobicContact CD2-CZ 4.28Å; F333-F519 HydrophobicContact CE2-CZ 4.37Å; V336-F519 HydrophobicContact CB-CE2 4.45Å; V336-F519 HydrophobicContact CB-CZ 4.19Å; V336-F519 HydrophobicContact CG1-CD2 4.03Å; V336-F519 HydrophobicContact CG1-CE1 4.16Å; V336-F519 HydrophobicContact CG1-CE2 3.61Å; V336-F519 HydrophobicContact CG1-CZ 3.67Å; F337-F519 HydrophobicContact CB-CE1 3.97Å; F337-F519 HydrophobicContact CD2-CD1 4.43Å; F337-F519 HydrophobicContact CD2-CE1 4.02Å; I340-F519 HydrophobicContact CD1-CB 4.25Å; I340-F519 HydrophobicContact CD1-CD1 4.46Å; I340-F519 HydrophobicContact CD1-CG 4.16Å; L515-F519 VanDerWaalsContact O-CB 3.29Å; L515-F519 WeakPolarHBondContact O-CB 3.35Å; L515-F519 PolarHBondContact O-N 3.41Å; F516-F519 WeakPolarHBondContact O-CB 3.31Å; F516-F519 PolarHBondContact O-N 3.05Å; V517-F519 VanDerWaalsContact C-N 3.29Å; V517-F519 PolarHBondContact O-N 3.35Å; F519-L522 HydrophobicContact CD2-CD2 4.35Å; F519-L522 WeakPolarHBondContact O-CB 3.29Å; F519-L522 PolarHBondContact O-N 2.82Å; F519-I523 HydrophobicContact CD1-CD1 3.98Å; F519-I523 HydrophobicContact CE1-CD1 3.67Å; F519-I523 HydrophobicContact CE1-CG1 4.49Å; F519-I523 HydrophobicContact CZ-CD1 3.99Å; F519-I523 HydrophobicContact CZ-CG1 4.37Å; F519-I523 WeakPolarHBondContact O-CG1 3.36Å; F519-I523 PolarHBondContact O-N 3.37Å; F519-L597 HydrophobicContact CE2-CD2 4.19Å
520	I	93.5	Very high	88.6	Confident	59 Å²	59	26.5 Å²	26.5	30%	0.303	14%	0.141	S	C	.	.	H	α-helix	trans	-62.6	-44.4	172.9	-61.6	-56.4	0	0	0	110.9	F337 F516 V517 L522 I523 I524	F337-I520 HydrophobicContact CE2-CD1 4.11Å; F516-I520 HydrophobicContact CE1-CG1 4.23Å; F516-I520 HydrophobicContact CZ-CD1 4.22Å; F516-I520 HydrophobicContact CZ-CG1 4.37Å; F516-I520 WeakPolarHBondContact O-CG1 3.1Å; F516-I520 PolarHBondContact O-N 3.14Å; V517-I520 PolarHBondContact O-N 3.13Å; I520-L522 VanDerWaalsContact C-N 3.32Å; I520-L522 PolarHBondContact O-N 2.97Å; I520-I523 HydrophobicContact CD1-CD1 4.24Å; I520-I523 WeakPolarHBondContact O-CB 3.14Å; I520-I523 PolarHBondContact O-N 3.43Å; I520-I524 HydrophobicContact CG2-CD1 4.03Å; I520-I524 WeakPolarHBondContact O-CG1 3.36Å; I520-I524 PolarHBondContact O-N 3.03Å
521	I	91.8	Very high	89.7	Confident	12 Å²	12	24 Å²	24	6%	0.062	13%	0.132	C	C	.	.	H	α-helix	trans	-59.1	-44.1	175.5	-70.8	167.5	0	0	0	110.8	V265 V268 A491 V517 V518 I523 I524 C525	V265-I521 HydrophobicContact CG2-CD1 3.99Å; V268-I521 HydrophobicContact CG2-CB 4.3Å; V268-I521 HydrophobicContact CG2-CG1 4.39Å; V268-I521 HydrophobicContact CG2-CG2 3.45Å; V268-I521 VanDerWaalsContact CG2-CG2 3.45Å; A491-I521 HydrophobicContact CB-CG2 4.13Å; V517-I521 HydrophobicContact CG1-CD1 4.02Å; V517-I521 WeakPolarHBondContact O-CG1 3.24Å; V517-I521 PolarHBondContact O-N 3.06Å; V518-I521 PolarHBondContact O-N 3.49Å; I521-I523 VanDerWaalsContact C-N 3.32Å; I521-I523 PolarHBondContact O-N 2.99Å; I521-I524 PolarHBondContact O-N 3Å; I521-C525 WeakPolarHBondContact O-CB 3.48Å; I521-C525 PolarHBondContact O-N 3.44Å; I521-C525 PolarHBondContact O-SG 3.39Å; I521-C525 VanDerWaalsContact O-SG 3.39Å
522	L	93.5	Very high	90.4	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.031	13%	0.126	C	C	.	.	H	α-helix	trans	-58.1	-43.8	176	175.3	67.7	0	0	0	111.8	P488 V492 V518 F519 I520 I524 C525 C526 F594 T598	P488-L522 HydrophobicContact CB-CD1 3.91Å; V492-L522 HydrophobicContact CG1-CB 3.85Å; V492-L522 HydrophobicContact CG1-CD1 3.79Å; V492-L522 HydrophobicContact CG1-CD2 4.24Å; V492-L522 HydrophobicContact CG1-CG 4.15Å; V518-L522 WeakPolarHBondContact O-CB 3.48Å; V518-L522 PolarHBondContact O-N 2.92Å; F519-L522 HydrophobicContact CD2-CD2 4.35Å; F519-L522 WeakPolarHBondContact O-CB 3.29Å; F519-L522 PolarHBondContact O-N 2.82Å; I520-L522 VanDerWaalsContact C-N 3.32Å; I520-L522 PolarHBondContact O-N 2.97Å; L522-I524 VanDerWaalsContact C-N 3.34Å; L522-I524 PolarHBondContact O-N 3.3Å; L522-C525 PolarHBondContact O-N 3Å; L522-C526 WeakPolarHBondContact O-CB 3.31Å; L522-C526 PolarHBondContact O-N 3.46Å; L522-C526 PolarHBondContact O-SG 3.05Å; L522-F594 HydrophobicContact CD1-CZ 4.06Å; L522-F594 HydrophobicContact CD2-CE2 3.62Å; L522-F594 HydrophobicContact CD2-CZ 3.99Å; L522-T598 HydrophobicContact CD1-CG2 4.26Å; L522-T598 HydrophobicContact CD2-CG2 4.36Å
523	I	95	Very high	90.8	Very high	34 Å²	34	22.3 Å²	22.3	17%	0.174	13%	0.127	C	C	.	.	H	α-helix	trans	-58.8	-48.5	177.5	-68.1	161.7	0	0	0	110.1	F333 F519 I520 I521 C526 A527 I601	F333-I523 HydrophobicContact CE2-CD1 3.61Å; F333-I523 HydrophobicContact CE2-CG1 4.02Å; F333-I523 HydrophobicContact CZ-CD1 4.2Å; F519-I523 HydrophobicContact CD1-CD1 3.98Å; F519-I523 HydrophobicContact CE1-CD1 3.67Å; F519-I523 HydrophobicContact CE1-CG1 4.49Å; F519-I523 HydrophobicContact CZ-CD1 3.99Å; F519-I523 HydrophobicContact CZ-CG1 4.37Å; F519-I523 WeakPolarHBondContact O-CG1 3.36Å; F519-I523 PolarHBondContact O-N 3.37Å; I520-I523 HydrophobicContact CD1-CD1 4.24Å; I520-I523 WeakPolarHBondContact O-CB 3.14Å; I520-I523 PolarHBondContact O-N 3.43Å; I521-I523 VanDerWaalsContact C-N 3.32Å; I521-I523 PolarHBondContact O-N 2.99Å; I523-C526 PolarHBondContact O-N 3.45Å; I523-A527 VanDerWaalsContact O-CB 3.31Å; I523-A527 WeakPolarHBondContact O-CB 3.42Å; I523-A527 PolarHBondContact O-N 3.49Å; I523-I601 HydrophobicContact CG1-CD1 3.94Å; I523-I601 HydrophobicContact CG2-CG2 4.04Å
524	I	93.3	Very high	91.1	Very high	66 Å²	66	20.9 Å²	20.9	34%	0.338	11%	0.112	S	C	.	.	H	α-helix	trans	-62.6	-49.1	179.6	-64.8	168.8	0	0	0	110.3	V268 I520 I521 L522 C526 A527 Q528	V268-I524 HydrophobicContact CG1-CG2 3.81Å; I520-I524 HydrophobicContact CG2-CD1 4.03Å; I520-I524 WeakPolarHBondContact O-CG1 3.36Å; I520-I524 PolarHBondContact O-N 3.03Å; I521-I524 PolarHBondContact O-N 3Å; L522-I524 VanDerWaalsContact C-N 3.34Å; L522-I524 PolarHBondContact O-N 3.3Å; I524-C526 PolarHBondContact O-N 2.67Å; I524-A527 PolarHBondContact O-N 3.2Å; I524-Q528 HydrophobicContact CG2-CG 4.23Å; I524-Q528 VanDerWaalsContact CG2-NE2 3.28Å; I524-Q528 VanDerWaalsContact O-CB 3.31Å; I524-Q528 WeakPolarHBondContact O-CB 3.49Å; I524-Q528 WeakPolarHBondContact O-CG 3.36Å; I524-Q528 PolarHBondContact O-N 3.43Å
525	C	92.5	Very high	91.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.2	-45.6	178.3	-72.7	0	0	0	0	112.6	V268 L271 P488 I521 L522 Q528 V529	V268-C525 VanDerWaalsContact CG2-SG 3.51Å; L271-C525 HydrophobicContact CD1-CB 4.46Å; P488-C525 HydrophobicContact CB-CB 4.39Å; P488-C525 HydrophobicContact CG-CB 4.43Å; I521-C525 WeakPolarHBondContact O-CB 3.48Å; I521-C525 PolarHBondContact O-N 3.44Å; I521-C525 PolarHBondContact O-SG 3.39Å; I521-C525 VanDerWaalsContact O-SG 3.39Å; L522-C525 PolarHBondContact O-N 3Å; C525-Q528 PolarHBondContact O-N 3.01Å; C525-V529 WeakPolarHBondContact O-CB 3.46Å; C525-V529 WeakPolarHBondContact O-CG2 3.16Å; C525-V529 PolarHBondContact O-N 3.28Å
526	C	94.6	Very high	91	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.5	-45.7	178.1	-68.8	0	0	0	0	111.3	L522 I523 I524 Q528 A530 I601	L522-C526 WeakPolarHBondContact O-CB 3.31Å; L522-C526 PolarHBondContact O-N 3.46Å; L522-C526 PolarHBondContact O-SG 3.05Å; I523-C526 PolarHBondContact O-N 3.45Å; I524-C526 PolarHBondContact O-N 2.67Å; C526-Q528 VanDerWaalsContact C-N 3.34Å; C526-Q528 PolarHBondContact O-N 3.29Å; C526-A530 WeakPolarHBondContact O-CB 3.31Å; C526-A530 PolarHBondContact O-N 3.21Å; C526-I601 HydrophobicContact CB-CB 4.3Å; C526-I601 HydrophobicContact CB-CG2 3.81Å
527	A	93.1	Very high	90.8	Very high	5 Å²	5	22.7 Å²	22.7	4%	0.041	12%	0.118	C	C	.	.	H	α-helix	trans	-57.9	-47.5	177.1	0	0	0	0	0	111.6	I523 I524 A530 I531 S605	I523-A527 VanDerWaalsContact O-CB 3.31Å; I523-A527 WeakPolarHBondContact O-CB 3.42Å; I523-A527 PolarHBondContact O-N 3.49Å; I524-A527 PolarHBondContact O-N 3.2Å; A527-A530 PolarHBondContact O-N 3.35Å; A527-I531 WeakPolarHBondContact O-CD1 3.36Å; A527-I531 WeakPolarHBondContact O-CG1 3.28Å; A527-I531 PolarHBondContact O-N 3.3Å; A527-S605 WeakPolarHBondContact CB-OG 3.43Å
528	Q	90.9	Very high	90.6	Very high	14 Å²	14	20.4 Å²	20.4	7%	0.065	10%	0.103	C	C	.	.	H	α-helix	trans	-63.7	-52.7	-177.7	-76.9	179.7	-9.1	0	0	112.5	I275 I524 C525 C526 A530 I531 V532	I275-Q528 VanDerWaalsContact CD1-CA 3.44Å; I275-Q528 HydrophobicContact CD1-CB 3.26Å; I275-Q528 HydrophobicContact CD1-CG 3.35Å; I524-Q528 HydrophobicContact CG2-CG 4.23Å; I524-Q528 VanDerWaalsContact CG2-NE2 3.28Å; I524-Q528 VanDerWaalsContact O-CB 3.31Å; I524-Q528 WeakPolarHBondContact O-CB 3.49Å; I524-Q528 WeakPolarHBondContact O-CG 3.36Å; I524-Q528 PolarHBondContact O-N 3.43Å; C525-Q528 PolarHBondContact O-N 3.01Å; C526-Q528 VanDerWaalsContact C-N 3.34Å; C526-Q528 PolarHBondContact O-N 3.29Å; Q528-A530 VanDerWaalsContact C-N 3.29Å; Q528-A530 PolarHBondContact O-N 3.07Å; Q528-I531 PolarHBondContact O-N 3.18Å; Q528-V532 WeakPolarHBondContact O-CG2 3.35Å; Q528-V532 PolarHBondContact O-N 2.96Å
529	V	91.5	Very high	90.1	Very high	12 Å²	12	22.3 Å²	22.3	7%	0.073	12%	0.116	C	C	.	.	H	α-helix	trans	-62.1	-40.2	179.5	173.6	0	0	0	0	110.9	L271 S484 L487 P488 C525 I531 V532 A533	L271-V529 HydrophobicContact CD1-CG2 4.17Å; S484-V529 VanDerWaalsContact CB-CG1 3.41Å; S484-V529 WeakPolarHBondContact O-CG1 3.43Å; L487-V529 HydrophobicContact CB-CG2 4.31Å; L487-V529 HydrophobicContact CD1-CG2 4.1Å; P488-V529 HydrophobicContact CG-CG2 4.44Å; C525-V529 WeakPolarHBondContact O-CB 3.46Å; C525-V529 WeakPolarHBondContact O-CG2 3.16Å; C525-V529 PolarHBondContact O-N 3.28Å; V529-I531 PolarHBondContact O-N 3.24Å; V529-V532 PolarHBondContact O-N 2.88Å; V529-A533 VanDerWaalsContact O-CB 3.27Å; V529-A533 WeakPolarHBondContact O-CB 3.48Å; V529-A533 PolarHBondContact O-N 3.43Å
530	A	92.8	Very high	89.7	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.3	-42.1	177.3	0	0	0	0	0	112.6	C526 A527 Q528 T534 T549 G602 T606	C526-A530 WeakPolarHBondContact O-CB 3.31Å; C526-A530 PolarHBondContact O-N 3.21Å; A527-A530 PolarHBondContact O-N 3.35Å; Q528-A530 VanDerWaalsContact C-N 3.29Å; Q528-A530 PolarHBondContact O-N 3.07Å; A530-T534 WeakPolarHBondContact O-CB 3.27Å; A530-T534 PolarHBondContact O-N 3.21Å; A530-T534 PolarHBondContact O-OG1 3.02Å; A530-T549 HydrophobicContact CB-CG2 3.91Å; A530-G602 VanDerWaalsContact CB-CA 3.42Å; A530-G602 WeakPolarHBondContact CB-O 3.04Å; A530-T606 PolarHBondContact O-OG1 3.34Å
531	I	89.7	Confident	89.3	Confident	15 Å²	15	22.3 Å²	22.3	8%	0.077	12%	0.119	C	C	.	.	H	α-helix	trans	-63.2	-49	175.9	-70.2	165	0	0	0	110.5	A527 Q528 V529 T534 Y535 F609 M633	A527-I531 WeakPolarHBondContact O-CD1 3.36Å; A527-I531 WeakPolarHBondContact O-CG1 3.28Å; A527-I531 PolarHBondContact O-N 3.3Å; Q528-I531 PolarHBondContact O-N 3.18Å; V529-I531 PolarHBondContact O-N 3.24Å; I531-T534 PolarHBondContact O-N 2.94Å; I531-Y535 VanDerWaalsContact O-CB 3.31Å; I531-Y535 WeakPolarHBondContact O-CB 3.31Å; I531-Y535 PolarHBondContact O-N 2.8Å; I531-F609 HydrophobicContact CD1-CB 4.29Å; I531-F609 HydrophobicContact CD1-CG 4.49Å; I531-F609 HydrophobicContact CG1-CB 4.04Å; I531-F609 HydrophobicContact CG1-CG 4.15Å; I531-F609 HydrophobicContact CG2-CD1 3.95Å; I531-F609 HydrophobicContact CG2-CD2 3.93Å; I531-F609 HydrophobicContact CG2-CE1 3.99Å; I531-F609 HydrophobicContact CG2-CE2 3.98Å; I531-F609 HydrophobicContact CG2-CG 3.92Å; I531-F609 HydrophobicContact CG2-CZ 4Å; I531-M633 HydrophobicContact CD1-CE 4.45Å
532	V	87.1	Confident	89.2	Confident	29 Å²	29	22.5 Å²	22.5	18%	0.176	12%	0.12	C	C	.	.	H	α-helix	trans	-61.4	-48.2	-179.9	174.4	0	0	0	0	111.4	I275 I278 Q528 V529 T534 Y535 F536	I275-V532 HydrophobicContact CD1-CG2 3.85Å; I275-V532 HydrophobicContact CG1-CG2 3.29Å; I278-V532 HydrophobicContact CD1-CG1 3.96Å; I278-V532 HydrophobicContact CD1-CG2 4.2Å; Q528-V532 WeakPolarHBondContact O-CG2 3.35Å; Q528-V532 PolarHBondContact O-N 2.96Å; V529-V532 PolarHBondContact O-N 2.88Å; V532-T534 VanDerWaalsContact C-N 3.32Å; V532-T534 PolarHBondContact O-N 3.38Å; V532-Y535 PolarHBondContact O-N 3.27Å; V532-F536 HydrophobicContact CG1-CD2 3.7Å; V532-F536 HydrophobicContact CG1-CE2 3.45Å; V532-F536 VanDerWaalsContact CG1-CE2 3.45Å; V532-F536 VanDerWaalsContact O-CD2 3.23Å; V532-F536 WeakPolarHBondContact O-CD2 3.37Å; V532-F536 PolarHBondContact O-N 3.44Å
533	A	88.5	Confident	89	Confident	14 Å²	14	23.1 Å²	23.1	12%	0.116	12%	0.122	C	C	.	.	H	α-helix	trans	-61.6	-41.8	179.9	0	0	0	0	0	111.7	V529 Q537	V529-A533 VanDerWaalsContact O-CB 3.27Å; V529-A533 WeakPolarHBondContact O-CB 3.48Å; V529-A533 PolarHBondContact O-N 3.43Å; A533-Q537 WeakPolarHBondContact O-CB 3.24Å; A533-Q537 PolarHBondContact O-N 3.32Å; A533-Q537 VanDerWaalsContact O-N 3.08Å
534	T	88.7	Confident	88.8	Confident	1 Å²	1	26 Å²	26	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-70.5	-38	178.8	-51.6	0	0	0	0	111.7	A530 I531 V532 Q537 L538 W545 T549 T606	A530-T534 WeakPolarHBondContact O-CB 3.27Å; A530-T534 PolarHBondContact O-N 3.21Å; A530-T534 PolarHBondContact O-OG1 3.02Å; I531-T534 PolarHBondContact O-N 2.94Å; V532-T534 VanDerWaalsContact C-N 3.32Å; V532-T534 PolarHBondContact O-N 3.38Å; T534-Q537 WeakPolarHBondContact O-CB 3.44Å; T534-Q537 PolarHBondContact O-N 3.43Å; T534-L538 HydrophobicContact CG2-CD1 4.1Å; T534-L538 HydrophobicContact CG2-CG 4.26Å; T534-L538 WeakPolarHBondContact O-CG 3.39Å; T534-L538 PolarHBondContact O-N 2.73Å; T534-W545 HydrophobicContact CG2-CB 3.74Å; T534-W545 HydrophobicContact CG2-CD2 4.44Å; T534-W545 HydrophobicContact CG2-CE3 4.48Å; T534-W545 HydrophobicContact CG2-CG 4.15Å; T534-T549 PolarHBondContact OG1-OG1 3.01Å; T534-T606 HydrophobicContact CG2-CG2 3.45Å; T534-T606 VanDerWaalsContact CG2-CG2 3.45Å; T534-T606 VanDerWaalsContact OG1-CG2 3.23Å; T534-T606 WeakPolarHBondContact OG1-CG2 3.4Å; T534-T606 PolarHBondContact OG1-OG1 3.29Å
535	Y	84	Confident	88.7	Confident	33 Å²	33	22.9 Å²	22.9	13%	0.129	12%	0.118	C	C	.	.	H	α-helix	trans	-58.8	-50.4	175.4	176.6	-95	0	0	0	111.3	I278 T282 I531 V532 Q537 L538 C539	I278-Y535 HydrophobicContact CG2-CD1 3.75Å; I278-Y535 HydrophobicContact CG2-CE1 3.73Å; I278-Y535 HydrophobicContact CG2-CG 4.39Å; T282-Y535 HydrophobicContact CG2-CE1 4.03Å; T282-Y535 HydrophobicContact CG2-CE2 4.2Å; T282-Y535 VanDerWaalsContact CG2-CZ 3.46Å; T282-Y535 WeakPolarHBondContact CG2-OH 3.23Å; I531-Y535 VanDerWaalsContact O-CB 3.31Å; I531-Y535 WeakPolarHBondContact O-CB 3.31Å; I531-Y535 PolarHBondContact O-N 2.8Å; V532-Y535 PolarHBondContact O-N 3.27Å; Y535-Q537 VanDerWaalsContact C-N 3.28Å; Y535-Q537 PolarHBondContact O-N 3.31Å; Y535-L538 PolarHBondContact O-N 3.25Å; Y535-C539 WeakPolarHBondContact CE1-SG 3.4Å; Y535-C539 PolarHBondContact O-N 3.41Å; Y535-C539 PolarHBondContact O-SG 3Å; Y535-C539 PolarHBondContact OH-SG 2.81Å
536	F	84.3	Confident	88.8	Confident	96 Å²	96	23.1 Å²	23.1	42%	0.421	12%	0.12	S	C	.	.	H	α-helix	trans	-63.2	-34.1	177	-74.7	-58.6	0	0	0	113	I278 V532 C539 S540	I278-F536 HydrophobicContact CD1-CE2 4.05Å; I278-F536 HydrophobicContact CD1-CZ 3.98Å; V532-F536 HydrophobicContact CG1-CD2 3.7Å; V532-F536 HydrophobicContact CG1-CE2 3.45Å; V532-F536 VanDerWaalsContact CG1-CE2 3.45Å; V532-F536 VanDerWaalsContact O-CD2 3.23Å; V532-F536 WeakPolarHBondContact O-CD2 3.37Å; V532-F536 PolarHBondContact O-N 3.44Å; F536-C539 PolarHBondContact O-N 3.29Å; F536-S540 PolarHBondContact O-N 2.93Å; F536-S540 VanDerWaalsContact O-N 3.13Å; F536-S540 PolarHBondContact O-OG 3.33Å
537	Q	87	Confident	88.8	Confident	4 Å²	4	25.8 Å²	25.8	2%	0.019	13%	0.13	C	C	.	.	H	α-helix	trans	-64.2	-48	174.8	-177.4	-177.1	-13.7	0	0	111.5	A533 T534 Y535 C539 S540 E541 D542 H544	A533-Q537 WeakPolarHBondContact O-CB 3.24Å; A533-Q537 PolarHBondContact O-N 3.32Å; A533-Q537 VanDerWaalsContact O-N 3.08Å; T534-Q537 WeakPolarHBondContact O-CB 3.44Å; T534-Q537 PolarHBondContact O-N 3.43Å; Y535-Q537 VanDerWaalsContact C-N 3.28Å; Y535-Q537 PolarHBondContact O-N 3.31Å; Q537-C539 VanDerWaalsContact C-N 3.31Å; Q537-C539 PolarHBondContact O-N 2.77Å; Q537-S540 CarbonylContact O-C 3.35Å; Q537-S540 WeakPolarHBondContact O-CA 3.24Å; Q537-S540 WeakPolarHBondContact O-CB 3.38Å; Q537-S540 PolarHBondContact O-N 2.93Å; Q537-E541 PolarHBondContact O-N 3.34Å; Q537-D542 HydrophobicContact CG-CB 3.86Å; Q537-D542 PolarHBondContact NE2-OD2 2.8Å; Q537-D542 PolarHBondContact O-N 3.13Å; Q537-H544 PolarHBondContact NE2-O 3.49Å; Q537-H544 VanDerWaalsContact NE2-O 3.08Å
538	L	85.5	Confident	88.9	Confident	12 Å²	12	26.8 Å²	26.8	6%	0.063	13%	0.132	C	C	.	.	H	α-helix	trans	-64.5	-36.1	177.6	-69.1	174.1	0	0	0	111.8	W305 V312 T534 Y535 S540 E541	W305-L538 VanDerWaalsContact CA-O 3.23Å; W305-L538 WeakPolarHBondContact CA-O 3.47Å; W305-L538 HydrophobicContact CB-CB 4Å; W305-L538 WeakPolarHBondContact CB-O 3.48Å; W305-L538 PolarHBondContact N-O 2.92Å; V312-L538 HydrophobicContact CG1-CD2 4.45Å; V312-L538 HydrophobicContact CG2-CD2 4Å; T534-L538 HydrophobicContact CG2-CD1 4.1Å; T534-L538 HydrophobicContact CG2-CG 4.26Å; T534-L538 WeakPolarHBondContact O-CG 3.39Å; T534-L538 PolarHBondContact O-N 2.73Å; Y535-L538 PolarHBondContact O-N 3.25Å; L538-S540 PolarHBondContact O-N 2.9Å; L538-E541 PolarHBondContact O-N 2.99Å; L538-E541 VanDerWaalsContact O-N 3.14Å
539	C	81.9	Confident	89.1	Confident	44 Å²	44	26.1 Å²	26.1	30%	0.297	13%	0.129	S	C	.	.	H	α-helix	trans	-62.9	-26.5	171.3	-70	0	0	0	0	113.5	Y535 F536 Q537 E541	Y535-C539 WeakPolarHBondContact CE1-SG 3.4Å; Y535-C539 PolarHBondContact O-N 3.41Å; Y535-C539 PolarHBondContact O-SG 3Å; Y535-C539 PolarHBondContact OH-SG 2.81Å; F536-C539 PolarHBondContact O-N 3.29Å; Q537-C539 VanDerWaalsContact C-N 3.31Å; Q537-C539 PolarHBondContact O-N 2.77Å; C539-E541 PolarHBondContact O-N 3.42Å
540	S	84.2	Confident	89.3	Confident	31 Å²	31	25.5 Å²	25.5	22%	0.217	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	15.5	177.2	-49.8	0	0	0	0	112.5	Q471 F536 Q537 L538 D542	Q471-S540 PolarHBondContact NE2-O 2.83Å; F536-S540 PolarHBondContact O-N 2.93Å; F536-S540 VanDerWaalsContact O-N 3.13Å; F536-S540 PolarHBondContact O-OG 3.33Å; Q537-S540 CarbonylContact O-C 3.35Å; Q537-S540 WeakPolarHBondContact O-CA 3.24Å; Q537-S540 WeakPolarHBondContact O-CB 3.38Å; Q537-S540 PolarHBondContact O-N 2.93Å; L538-S540 PolarHBondContact O-N 2.9Å; S540-D542 PolarHBondContact O-N 3.11Å
541	E	86.1	Confident	89.4	Confident	40 Å²	40	27.7 Å²	27.7	19%	0.187	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	21.5	178.3	-56.6	-175.8	-164	0	0	115.2	L307 V308 R466 P469 Q537 L538 C539	L307-E541 WeakPolarHBondContact CD1-OE1 3.26Å; V308-E541 HydrophobicContact CG2-CB 3.84Å; V308-E541 HydrophobicContact CG2-CG 4.31Å; R466-E541 IonicContact CZ-OE2 3.66Å; R466-E541 IonicContact NE-OE2 3.75Å; R466-E541 IonicContact NH2-OE2 2.89Å; R466-E541 PolarHBondContact NH2-OE2 3.08Å; P469-E541 HydrophobicContact CG-CB 3.91Å; Q537-E541 PolarHBondContact O-N 3.34Å; L538-E541 PolarHBondContact O-N 2.99Å; L538-E541 VanDerWaalsContact O-N 3.14Å; C539-E541 PolarHBondContact O-N 3.42Å
542	D	88.4	Confident	89.6	Confident	17 Å²	17	27 Å²	27	9%	0.091	13%	0.133	C	C	.	.			trans	-100.3	113.3	173.9	-179.3	20.4	0	0	0	111.6	V468 Q537 S540 H544	V468-D542 HydrophobicContact CG1-CB 3.71Å; Q537-D542 HydrophobicContact CG-CB 3.86Å; Q537-D542 PolarHBondContact NE2-OD2 2.8Å; Q537-D542 PolarHBondContact O-N 3.13Å; S540-D542 PolarHBondContact O-N 3.11Å; D542-H544 WeakPolarHBondContact OD1-CB 3.32Å; D542-H544 IonicContact OD1-CG 3.39Å; D542-H544 PolarHBondContact OD1-N 3.02Å; D542-H544 IonicContact OD1-ND1 2.8Å; D542-H544 PolarHBondContact OD1-ND1 3.25Å
543	Y	89.2	Confident	90	Very high	19 Å²	19	25.7 Å²	25.7	8%	0.075	13%	0.126	C	C	.	.			trans	-84.8	-2.9	175.3	52.5	-85.7	0	0	0	114.3	V308 D311 P465 R466 V468 W545	V308-Y543 HydrophobicContact CG1-CD1 3.78Å; V308-Y543 HydrophobicContact CG1-CG 4.04Å; D311-Y543 HydrophobicContact CB-CD1 3.89Å; D311-Y543 HydrophobicContact CB-CD2 4.07Å; D311-Y543 HydrophobicContact CB-CE1 4.21Å; D311-Y543 HydrophobicContact CB-CE2 4.39Å; D311-Y543 HydrophobicContact CB-CG 3.81Å; P465-Y543 WeakPolarHBondContact CB-OH 3.45Å; R466-Y543 WeakPolarHBondContact O-CE1 3.4Å; R466-Y543 PolarHBondContact O-OH 3.32Å; V468-Y543 HydrophobicContact CG2-CD1 3.96Å; V468-Y543 HydrophobicContact CG2-CE1 3.54Å; Y543-W545 PolarHBondContact O-N 3.24Å
544	H	91.1	Very high	90.3	Very high	94 Å²	94	25 Å²	25	44%	0.435	12%	0.12	S	C	.	.			trans	-78.8	51.1	-177.2	-60.2	91.7	0	0	0	112.5	Q537 D542 R548	Q537-H544 PolarHBondContact NE2-O 3.49Å; Q537-H544 VanDerWaalsContact NE2-O 3.08Å; D542-H544 WeakPolarHBondContact OD1-CB 3.32Å; D542-H544 IonicContact OD1-CG 3.39Å; D542-H544 PolarHBondContact OD1-N 3.02Å; D542-H544 IonicContact OD1-ND1 2.8Å; D542-H544 PolarHBondContact OD1-ND1 3.25Å; H544-R548 WeakPolarHBondContact O-CB 3.44Å
545	W	91.9	Very high	90.6	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-80.9	-32.5	-172.7	67.3	-91.9	0	0	0	113.1	V312 T534 Y543 W547 R548 T549 F603 T606 F607	V312-W545 PolarHBondContact O-NE1 3.01Å; T534-W545 HydrophobicContact CG2-CB 3.74Å; T534-W545 HydrophobicContact CG2-CD2 4.44Å; T534-W545 HydrophobicContact CG2-CE3 4.48Å; T534-W545 HydrophobicContact CG2-CG 4.15Å; Y543-W545 PolarHBondContact O-N 3.24Å; W545-W547 PolarHBondContact O-N 3.38Å; W545-R548 CarbonylContact O-C 3.46Å; W545-R548 PolarHBondContact O-N 3.38Å; W545-T549 WeakPolarHBondContact O-CB 3.22Å; W545-T549 PolarHBondContact O-N 3.47Å; W545-T549 PolarHBondContact O-OG1 3.22Å; W545-F603 HydrophobicContact CH2-CD2 4.46Å; W545-F603 AromaticContact CH2-CE2 3.9Å; W545-F603 HydrophobicContact CH2-CE2 3.9Å; W545-F603 AromaticContact CZ3-CD2 3.85Å; W545-F603 HydrophobicContact CZ3-CD2 3.85Å; W545-F603 AromaticContact CZ3-CE2 3.74Å; W545-F603 HydrophobicContact CZ3-CE2 3.74Å; W545-T606 HydrophobicContact CD2-CG2 4.47Å; W545-T606 HydrophobicContact CE3-CG2 3.63Å; W545-T606 HydrophobicContact CZ3-CG2 3.67Å; W545-F607 HydrophobicContact CH2-CB 4Å; W545-F607 AromaticContact CH2-CD2 3.9Å; W545-F607 HydrophobicContact CH2-CD2 3.9Å; W545-F607 HydrophobicContact CH2-CG 4.44Å; W545-F607 HydrophobicContact CZ2-CD2 4.49Å; W545-F607 HydrophobicContact CZ3-CB 4.47Å
546	W	94.4	Very high	91.2	Very high	6 Å²	6	23.4 Å²	23.4	2%	0.023	11%	0.114	C	C	.	.	H	α-helix	trans	-44.6	-61.3	-174.8	-65	86.7	0	0	0	115	V312 R314 P316 F322 L378 L382 F603 F607	V312-W546 PolarHBondContact O-NE1 3.47Å; R314-W546 PolarHBondContact O-NE1 3.47Å; P316-W546 HydrophobicContact CB-CB 3.7Å; P316-W546 HydrophobicContact CB-CG 3.97Å; P316-W546 HydrophobicContact CG-CB 4.04Å; P316-W546 HydrophobicContact CG-CD2 4.25Å; P316-W546 HydrophobicContact CG-CE3 4.41Å; P316-W546 HydrophobicContact CG-CG 4.08Å; F322-W546 AromaticContact CE1-CE3 3.83Å; F322-W546 HydrophobicContact CE1-CE3 3.83Å; F322-W546 HydrophobicContact CE1-CZ3 4.44Å; F322-W546 WeakPolarHBondContact CE2-O 3.19Å; F322-W546 HydrophobicContact CZ-CB 4.45Å; F322-W546 HydrophobicContact CZ-CE3 4.2Å; L378-W546 HydrophobicContact CD1-CZ3 4.15Å; L382-W546 HydrophobicContact CD1-CZ3 4.47Å; L382-W546 HydrophobicContact CD2-CE3 4.3Å; L382-W546 HydrophobicContact CD2-CH2 3.46Å; L382-W546 VanDerWaalsContact CD2-CH2 3.46Å; L382-W546 HydrophobicContact CD2-CZ2 3.88Å; L382-W546 HydrophobicContact CD2-CZ3 3.69Å; W546-F603 HydrophobicContact CD2-CE2 4.43Å; W546-F603 AromaticContact CE3-CE2 3.43Å; W546-F603 HydrophobicContact CE3-CE2 3.43Å; W546-F603 VanDerWaalsContact CE3-CE2 3.43Å; W546-F603 AromaticContact CE3-CZ 3.83Å; W546-F603 HydrophobicContact CE3-CZ 3.83Å; W546-F603 AromaticContact CZ3-CE2 3.69Å; W546-F603 HydrophobicContact CZ3-CE2 3.69Å; W546-F603 AromaticContact CZ3-CZ 3.66Å; W546-F603 HydrophobicContact CZ3-CZ 3.66Å; W546-F607 AromaticContact CH2-CD2 3.81Å; W546-F607 HydrophobicContact CH2-CD2 3.81Å; W546-F607 AromaticContact CH2-CE2 3.65Å; W546-F607 HydrophobicContact CH2-CE2 3.65Å; W546-F607 AromaticContact CZ3-CD2 3.93Å; W546-F607 HydrophobicContact CZ3-CD2 3.93Å; W546-F607 HydrophobicContact CZ3-CE2 4.12Å
547	W	95.3	Very high	91.8	Very high	56 Å²	56	19.1 Å²	19.1	21%	0.212	10%	0.096	C	C	.	.	H	α-helix	trans	-73.1	-36.4	176.9	-83.1	110.2	0	0	0	112.1	R317 H318 L321 F322 L325 W545 F550 I551	R317-W547 PolarHBondContact O-NE1 2.88Å; H318-W547 HydrophobicContact CB-CZ2 4.48Å; L321-W547 HydrophobicContact CB-CH2 4.39Å; L321-W547 HydrophobicContact CB-CZ2 4.39Å; L321-W547 HydrophobicContact CD2-CH2 3.98Å; L321-W547 HydrophobicContact CD2-CZ2 4.35Å; L321-W547 HydrophobicContact CG-CH2 3.97Å; L321-W547 HydrophobicContact CG-CZ2 4.42Å; F322-W547 HydrophobicContact CB-CH2 4Å; F322-W547 HydrophobicContact CB-CZ2 3.51Å; F322-W547 AromaticContact CD2-CD2 3.76Å; F322-W547 HydrophobicContact CD2-CD2 3.76Å; F322-W547 AromaticContact CD2-CE2 3.79Å; F322-W547 AromaticContact CD2-CE3 3.88Å; F322-W547 HydrophobicContact CD2-CE3 3.88Å; F322-W547 HydrophobicContact CD2-CG 4.37Å; F322-W547 HydrophobicContact CD2-CH2 4.09Å; F322-W547 AromaticContact CD2-CZ2 3.98Å; F322-W547 HydrophobicContact CD2-CZ2 3.98Å; F322-W547 HydrophobicContact CD2-CZ3 4.03Å; F322-W547 HydrophobicContact CE2-CD2 4.46Å; F322-W547 HydrophobicContact CE2-CE3 4.47Å; F322-W547 HydrophobicContact CG-CZ2 4.25Å; L325-W547 HydrophobicContact CD1-CH2 3.78Å; L325-W547 HydrophobicContact CD1-CZ3 3.75Å; W545-W547 PolarHBondContact O-N 3.38Å; W547-F550 PolarHBondContact O-N 3.46Å; W547-I551 HydrophobicContact CB-CD1 4.48Å; W547-I551 WeakPolarHBondContact O-CB 3.45Å; W547-I551 VanDerWaalsContact O-CG1 3.27Å; W547-I551 WeakPolarHBondContact O-CG1 3.31Å; W547-I551 PolarHBondContact O-N 3.31Å
548	R	93.7	Very high	92.2	Very high	25 Å²	25	22.7 Å²	22.7	9%	0.094	12%	0.118	C	C	.	.	H	α-helix	trans	-64	-49.3	-174.5	-168.1	159.4	-168.9	-58.8	-5.8	110.6	H475 L477 S480 H544 W545 F550 I551 T552	H475-R548 PolarHBondContact O-NH2 2.95Å; L477-R548 HydrophobicContact CD1-CG 3.93Å; S480-R548 PolarHBondContact OG-NH1 3.25Å; S480-R548 PolarHBondContact OG-NH2 3.26Å; H544-R548 WeakPolarHBondContact O-CB 3.44Å; W545-R548 CarbonylContact O-C 3.46Å; W545-R548 PolarHBondContact O-N 3.38Å; R548-F550 VanDerWaalsContact C-N 3.34Å; R548-F550 PolarHBondContact O-N 3.46Å; R548-I551 PolarHBondContact O-N 3.43Å; R548-T552 HydrophobicContact CG-CG2 4.18Å; R548-T552 WeakPolarHBondContact O-CB 3.22Å; R548-T552 VanDerWaalsContact O-CG2 3.24Å; R548-T552 WeakPolarHBondContact O-CG2 3.38Å; R548-T552 PolarHBondContact O-N 2.95Å; R548-T552 PolarHBondContact O-OG1 3Å
549	T	94.8	Very high	92.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.6	-42.8	174.4	-54.9	0	0	0	0	112.3	A530 T534 W545 T552 S553 T606	A530-T549 HydrophobicContact CB-CG2 3.91Å; T534-T549 PolarHBondContact OG1-OG1 3.01Å; W545-T549 WeakPolarHBondContact O-CB 3.22Å; W545-T549 PolarHBondContact O-N 3.47Å; W545-T549 PolarHBondContact O-OG1 3.22Å; T549-T552 WeakPolarHBondContact CA-OG1 3.44Å; T549-T552 PolarHBondContact O-OG1 3.14Å; T549-S553 VanDerWaalsContact O-CB 3.24Å; T549-S553 WeakPolarHBondContact O-CB 3.41Å; T549-S553 PolarHBondContact O-N 3.32Å; T549-T606 HydrophobicContact CG2-CG2 4.03Å; T549-T606 VanDerWaalsContact CG2-OG1 3.24Å; T549-T606 WeakPolarHBondContact CG2-OG1 3.36Å
550	F	96.4	Very high	93.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.9	-46.8	177.7	-168.9	-78.9	0	0	0	111.2	F322 L325 W547 R548 G554 W595 G599 T600 F603	F322-F550 HydrophobicContact CE2-CB 4.09Å; F322-F550 HydrophobicContact CE2-CD2 4.21Å; F322-F550 HydrophobicContact CE2-CG 4.34Å; L325-F550 HydrophobicContact CB-CZ 4.06Å; W547-F550 PolarHBondContact O-N 3.46Å; R548-F550 VanDerWaalsContact C-N 3.34Å; R548-F550 PolarHBondContact O-N 3.46Å; F550-G554 PolarHBondContact O-N 2.82Å; F550-W595 AromaticContact CD1-CH2 3.92Å; F550-W595 HydrophobicContact CD1-CH2 3.92Å; F550-W595 AromaticContact CD1-CZ2 3.79Å; F550-W595 HydrophobicContact CD1-CZ2 3.79Å; F550-W595 HydrophobicContact CE1-CD2 4.33Å; F550-W595 HydrophobicContact CE1-CE3 4.13Å; F550-W595 AromaticContact CE1-CH2 3.52Å; F550-W595 HydrophobicContact CE1-CH2 3.52Å; F550-W595 AromaticContact CE1-CZ2 3.73Å; F550-W595 HydrophobicContact CE1-CZ2 3.73Å; F550-W595 AromaticContact CE1-CZ3 3.74Å; F550-W595 HydrophobicContact CE1-CZ3 3.74Å; F550-G599 WeakPolarHBondContact CD2-O 3.17Å; F550-G599 VanDerWaalsContact O-CA 3.22Å; F550-G599 WeakPolarHBondContact O-CA 3.36Å; F550-T600 WeakPolarHBondContact CE2-OG1 2.92Å; F550-F603 HydrophobicContact CD2-CB 4.13Å
551	I	96.1	Very high	94.1	Very high	45 Å²	45	25.8 Å²	25.8	23%	0.231	12%	0.121	C	C	.	.	H	α-helix	trans	-69.4	-45.7	-179.8	-66	164.6	0	0	0	111.3	L477 T481 W547 R548 G554 G555 W595	L477-I551 HydrophobicContact CD1-CB 4.24Å; L477-I551 HydrophobicContact CD1-CG2 3.96Å; L477-I551 HydrophobicContact CD2-CD1 4.21Å; L477-I551 HydrophobicContact CG-CG2 4.38Å; T481-I551 HydrophobicContact CG2-CG2 4.43Å; W547-I551 HydrophobicContact CB-CD1 4.48Å; W547-I551 WeakPolarHBondContact O-CB 3.45Å; W547-I551 VanDerWaalsContact O-CG1 3.27Å; W547-I551 WeakPolarHBondContact O-CG1 3.31Å; W547-I551 PolarHBondContact O-N 3.31Å; R548-I551 PolarHBondContact O-N 3.43Å; I551-G554 CarbonylContact O-C 3.59Å; I551-G554 WeakPolarHBondContact O-CA 3.37Å; I551-G554 PolarHBondContact O-N 3.01Å; I551-G555 PolarHBondContact O-N 3.26Å; I551-G555 VanDerWaalsContact O-N 3.16Å; I551-W595 HydrophobicContact CG1-CZ2 4.09Å
552	T	93.7	Very high	94.5	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	13%	0.132	C	C	.	.	H	α-helix	trans	-68.3	-41.1	-176.2	55.9	0	0	0	0	111.8	L477 S484 R548 T549 G554 G555	L477-T552 HydrophobicContact CD1-CG2 4.25Å; S484-T552 WeakPolarHBondContact CB-O 3.41Å; R548-T552 HydrophobicContact CG-CG2 4.18Å; R548-T552 WeakPolarHBondContact O-CB 3.22Å; R548-T552 VanDerWaalsContact O-CG2 3.24Å; R548-T552 WeakPolarHBondContact O-CG2 3.38Å; R548-T552 PolarHBondContact O-N 2.95Å; R548-T552 PolarHBondContact O-OG1 3Å; T549-T552 WeakPolarHBondContact CA-OG1 3.44Å; T549-T552 PolarHBondContact O-OG1 3.14Å; T552-G554 VanDerWaalsContact C-N 3.29Å; T552-G555 PolarHBondContact O-N 2.82Å; T552-G555 VanDerWaalsContact O-N 3.1Å
553	S	94.5	Very high	94.9	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.014	13%	0.131	C	C	.	.	H	α-helix	trans	-68.2	-32.3	173.6	-167.2	0	0	0	0	111.9	T549 G555 T598 G602	T549-S553 VanDerWaalsContact O-CB 3.24Å; T549-S553 WeakPolarHBondContact O-CB 3.41Å; T549-S553 PolarHBondContact O-N 3.32Å; S553-G555 PolarHBondContact O-N 3.38Å; S553-T598 PolarHBondContact OG-O 3.24Å; S553-T598 VanDerWaalsContact OG-O 3.11Å; S553-G602 WeakPolarHBondContact OG-CA 3.15Å
554	G	95.2	Very high	95.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-10.2	170	0	0	0	0	0	114.7	F550 I551 T552 A556 A557 W595 T598	F550-G554 PolarHBondContact O-N 2.82Å; I551-G554 CarbonylContact O-C 3.59Å; I551-G554 WeakPolarHBondContact O-CA 3.37Å; I551-G554 PolarHBondContact O-N 3.01Å; T552-G554 VanDerWaalsContact C-N 3.29Å; G554-A556 PolarHBondContact O-N 3.03Å; G554-A557 WeakPolarHBondContact O-CB 3.07Å; G554-A557 PolarHBondContact O-N 3.31Å; G554-W595 VanDerWaalsContact O-CD1 3.29Å; G554-T598 WeakPolarHBondContact CA-OG1 3.32Å
555	G	95.6	Very high	95.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-23.7	-174.4	0	0	0	0	0	114.7	T481 G485 I551 T552 S553 A557 V558	T481-G555 VanDerWaalsContact CG2-CA 3.4Å; G485-G555 VanDerWaalsContact CA-C 3.5Å; I551-G555 PolarHBondContact O-N 3.26Å; I551-G555 VanDerWaalsContact O-N 3.16Å; T552-G555 PolarHBondContact O-N 2.82Å; T552-G555 VanDerWaalsContact O-N 3.1Å; S553-G555 PolarHBondContact O-N 3.38Å; G555-A557 PolarHBondContact O-N 2.93Å; G555-A557 VanDerWaalsContact O-N 3.17Å; G555-V558 WeakPolarHBondContact O-CB 3.29Å; G555-V558 PolarHBondContact O-N 3.25Å
556	A	95.5	Very high	95.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.1	-26	175.1	0	0	0	0	0	112.9	P488 F489 G554 V558 Y559 L560 F594	P488-A556 HydrophobicContact CB-CB 4.04Å; F489-A556 HydrophobicContact CB-CB 4.32Å; G554-A556 PolarHBondContact O-N 3.03Å; A556-V558 VanDerWaalsContact C-N 3.34Å; A556-V558 PolarHBondContact O-N 2.71Å; A556-Y559 PolarHBondContact O-N 3.14Å; A556-L560 PolarHBondContact O-N 3.38Å; A556-F594 HydrophobicContact CB-CD1 4.45Å; A556-F594 HydrophobicContact CB-CE1 3.64Å; A556-F594 HydrophobicContact CB-CZ 4.4Å
557	A	97.3	Very high	95.6	Very high	6 Å²	6	30.1 Å²	30.1	5%	0.05	15%	0.149	C	C	.	.	H	α-helix	trans	-68.5	-28.5	173.9	0	0	0	0	0	114	G554 G555 Y559 L560 F561 A591 F594 W595	G554-A557 WeakPolarHBondContact O-CB 3.07Å; G554-A557 PolarHBondContact O-N 3.31Å; G555-A557 PolarHBondContact O-N 2.93Å; G555-A557 VanDerWaalsContact O-N 3.17Å; A557-Y559 VanDerWaalsContact C-N 3.33Å; A557-L560 PolarHBondContact O-N 3.37Å; A557-F561 WeakPolarHBondContact O-CB 3.39Å; A557-F561 PolarHBondContact O-N 2.9Å; A557-A591 WeakPolarHBondContact CB-O 3.41Å; A557-F594 HydrophobicContact CB-CD1 4.13Å; A557-W595 HydrophobicContact CB-CB 3.6Å; A557-W595 HydrophobicContact CB-CG 4.41Å
558	V	96.3	Very high	95.5	Very high	79 Å²	79	29.1 Å²	29.1	48%	0.479	15%	0.146	S	C	.	.	H	α-helix	trans	-65.4	-42.5	174.5	179.2	0	0	0	0	109.8	L482 G555 A556 F561 G562	L482-V558 HydrophobicContact CD2-CG1 4.16Å; G555-V558 WeakPolarHBondContact O-CB 3.29Å; G555-V558 PolarHBondContact O-N 3.25Å; A556-V558 VanDerWaalsContact C-N 3.34Å; A556-V558 PolarHBondContact O-N 2.71Å; V558-F561 PolarHBondContact O-N 3.5Å; V558-G562 PolarHBondContact O-N 3.05Å
559	Y	96.3	Very high	95.4	Very high	72 Å²	72	34.4 Å²	34.4	28%	0.282	18%	0.176	S	C	.	.	H	α-helix	trans	-67.3	-40.9	175.1	-70.8	-85.5	0	0	0	112.2	L482 A486 F489 A556 A557 F561 G562 Y563	L482-Y559 HydrophobicContact CD2-CE2 4.49Å; L482-Y559 VanDerWaalsContact O-CE2 3.23Å; L482-Y559 WeakPolarHBondContact O-CE2 3.44Å; L482-Y559 PolarHBondContact O-OH 3.45Å; A486-Y559 HydrophobicContact CB-CE1 4.35Å; A486-Y559 HydrophobicContact CB-CE2 4.06Å; A486-Y559 VanDerWaalsContact N-CE2 3.32Å; F489-Y559 HydrophobicContact CB-CD2 4.45Å; F489-Y559 HydrophobicContact CB-CG 4.16Å; F489-Y559 VanDerWaalsContact CD1-CB 3.48Å; F489-Y559 HydrophobicContact CD1-CD1 4.25Å; F489-Y559 HydrophobicContact CD1-CG 4.07Å; F489-Y559 HydrophobicContact CG-CG 4.12Å; A556-Y559 PolarHBondContact O-N 3.14Å; A557-Y559 VanDerWaalsContact C-N 3.33Å; Y559-F561 VanDerWaalsContact C-N 3.31Å; Y559-F561 PolarHBondContact O-N 2.81Å; Y559-G562 PolarHBondContact O-N 3.5Å; Y559-Y563 VanDerWaalsContact O-CB 3.32Å; Y559-Y563 WeakPolarHBondContact O-CB 3.43Å; Y559-Y563 PolarHBondContact O-N 3.45Å
560	L	96.7	Very high	95.3	Very high	13 Å²	13	37.9 Å²	37.9	7%	0.068	20%	0.197	C	C	.	.	H	α-helix	trans	-58.6	-43.9	174.1	-177.6	64.5	0	0	0	111.7	F489 V496 Y500 A556 A557 Y563 S564 F594	F489-L560 HydrophobicContact CD2-CB 4.44Å; F489-L560 HydrophobicContact CE2-CB 4.28Å; F489-L560 HydrophobicContact CE2-CD1 4.39Å; V496-L560 HydrophobicContact CB-CD1 4.45Å; V496-L560 HydrophobicContact CG1-CD1 3.49Å; V496-L560 VanDerWaalsContact CG1-CD1 3.49Å; V496-L560 HydrophobicContact CG2-CD1 4.02Å; Y500-L560 HydrophobicContact CE2-CD1 4.11Å; A556-L560 PolarHBondContact O-N 3.38Å; A557-L560 PolarHBondContact O-N 3.37Å; L560-Y563 PolarHBondContact O-N 2.88Å; L560-S564 PolarHBondContact O-N 3.16Å; L560-F594 HydrophobicContact CB-CD1 4.36Å; L560-F594 HydrophobicContact CD2-CB 3.78Å; L560-F594 HydrophobicContact CD2-CD1 3.79Å; L560-F594 HydrophobicContact CD2-CG 3.84Å
561	F	96.7	Very high	94.8	Very high	66 Å²	66	43.5 Å²	43.5	29%	0.289	22%	0.222	S	C	.	.	H	α-helix	trans	-68.7	-42.8	177.2	-172.1	-122.7	0	0	0	112	A557 V558 Y559 Y563 S564 F565 I588 A591	A557-F561 WeakPolarHBondContact O-CB 3.39Å; A557-F561 PolarHBondContact O-N 2.9Å; V558-F561 PolarHBondContact O-N 3.5Å; Y559-F561 VanDerWaalsContact C-N 3.31Å; Y559-F561 PolarHBondContact O-N 2.81Å; F561-Y563 VanDerWaalsContact C-N 3.27Å; F561-Y563 PolarHBondContact O-N 3.32Å; F561-S564 WeakPolarHBondContact O-CB 3.29Å; F561-S564 PolarHBondContact O-N 3.5Å; F561-S564 VanDerWaalsContact O-N 3.08Å; F561-S564 PolarHBondContact O-OG 3.34Å; F561-F565 HydrophobicContact CD1-CE2 4.06Å; F561-F565 HydrophobicContact CD2-CE2 4.49Å; F561-F565 HydrophobicContact CE1-CD2 4.37Å; F561-F565 AromaticContact CE1-CE2 3.5Å; F561-F565 HydrophobicContact CE1-CE2 3.5Å; F561-F565 VanDerWaalsContact CE1-CE2 3.5Å; F561-F565 HydrophobicContact CE1-CZ 4.35Å; F561-F565 AromaticContact CE2-CE2 3.94Å; F561-F565 HydrophobicContact CE2-CE2 3.94Å; F561-F565 HydrophobicContact CZ-CD2 4.43Å; F561-F565 AromaticContact CZ-CE2 3.42Å; F561-F565 HydrophobicContact CZ-CE2 3.42Å; F561-F565 VanDerWaalsContact CZ-CE2 3.42Å; F561-F565 HydrophobicContact CZ-CZ 4.05Å; F561-F565 WeakPolarHBondContact O-CD2 3.47Å; F561-F565 PolarHBondContact O-N 3.04Å; F561-I588 HydrophobicContact CD2-CG1 4.42Å; F561-I588 HydrophobicContact CE2-CD1 4.49Å; F561-I588 HydrophobicContact CE2-CG1 3.53Å; F561-I588 HydrophobicContact CZ-CG1 3.95Å; F561-A591 HydrophobicContact CB-CB 4.05Å; F561-A591 HydrophobicContact CD2-CB 4.41Å
562	G	96.4	Very high	94.3	Very high	41 Å²	41	42.1 Å²	42.1	42%	0.423	22%	0.215	S	C	.	.	H	α-helix	trans	-59.7	-38.4	173.2	0	0	0	0	0	112.6	V558 Y559 S564 F565 F566	V558-G562 PolarHBondContact O-N 3.05Å; Y559-G562 PolarHBondContact O-N 3.5Å; G562-S564 VanDerWaalsContact C-N 3.34Å; G562-S564 PolarHBondContact O-N 3.33Å; G562-F565 PolarHBondContact O-N 3.17Å; G562-F566 PolarHBondContact O-N 3.19Å; G562-F566 VanDerWaalsContact O-N 3.11Å
563	Y	95.8	Very high	93.9	Very high	16 Å²	16	45 Å²	45	6%	0.063	24%	0.235	C	C	.	.	H	α-helix	trans	-64.5	-36.7	173.6	-179.6	-102.5	0	0	0	112.6	F489 F493 V496 F497 Y500 Y559 L560 F561 F565 F566 Y567	F489-Y563 HydrophobicContact CZ-CG 4.15Å; F493-Y563 HydrophobicContact CD2-CD2 4.44Å; F493-Y563 HydrophobicContact CD2-CE2 4.45Å; F493-Y563 AromaticContact CE2-CD2 3.64Å; F493-Y563 HydrophobicContact CE2-CD2 3.64Å; F493-Y563 AromaticContact CE2-CE2 3.48Å; F493-Y563 HydrophobicContact CE2-CE2 3.48Å; F493-Y563 VanDerWaalsContact CE2-CE2 3.48Å; F493-Y563 HydrophobicContact CZ-CD2 4.48Å; F493-Y563 AromaticContact CZ-CE2 3.96Å; F493-Y563 HydrophobicContact CZ-CE2 3.96Å; V496-Y563 HydrophobicContact CG1-CD1 3.83Å; V496-Y563 HydrophobicContact CG1-CE1 3.91Å; F497-Y563 VanDerWaalsContact CD2-OH 3.28Å; F497-Y563 WeakPolarHBondContact CD2-OH 3.37Å; Y500-Y563 HydrophobicContact CD2-CD1 4.48Å; Y500-Y563 HydrophobicContact CD2-CE1 4.17Å; Y500-Y563 HydrophobicContact CE2-CD1 4.32Å; Y500-Y563 HydrophobicContact CE2-CE1 4.46Å; Y500-Y563 HydrophobicContact CG-CE1 4.24Å; Y559-Y563 VanDerWaalsContact O-CB 3.32Å; Y559-Y563 WeakPolarHBondContact O-CB 3.43Å; Y559-Y563 PolarHBondContact O-N 3.45Å; L560-Y563 PolarHBondContact O-N 2.88Å; F561-Y563 VanDerWaalsContact C-N 3.27Å; F561-Y563 PolarHBondContact O-N 3.32Å; Y563-F565 VanDerWaalsContact C-N 3.3Å; Y563-F565 PolarHBondContact O-N 3.48Å; Y563-F566 HydrophobicContact CD2-CD1 4.09Å; Y563-F566 AromaticContact CE2-CD1 3.94Å; Y563-F566 HydrophobicContact CE2-CD1 3.94Å; Y563-F566 HydrophobicContact CE2-CE1 4.42Å; Y563-F566 WeakPolarHBondContact O-CB 3.26Å; Y563-F566 PolarHBondContact O-N 2.65Å; Y563-F566 VanDerWaalsContact O-N 3.15Å; Y563-Y567 HydrophobicContact CE1-CD2 4.25Å; Y563-Y567 WeakPolarHBondContact O-CB 3.45Å; Y563-Y567 PolarHBondContact O-N 2.94Å
564	S	95.7	Very high	93.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.2	-40.4	173.5	78.7	0	0	0	0	111.9	Y500 L560 F561 G562 Y567 F568 Y583	Y500-S564 WeakPolarHBondContact OH-CB 3.35Å; L560-S564 PolarHBondContact O-N 3.16Å; F561-S564 WeakPolarHBondContact O-CB 3.29Å; F561-S564 PolarHBondContact O-N 3.5Å; F561-S564 VanDerWaalsContact O-N 3.08Å; F561-S564 PolarHBondContact O-OG 3.34Å; G562-S564 VanDerWaalsContact C-N 3.34Å; G562-S564 PolarHBondContact O-N 3.33Å; S564-Y567 PolarHBondContact O-N 3.27Å; S564-F568 WeakPolarHBondContact O-CB 3.13Å; S564-F568 PolarHBondContact O-N 3.3Å; S564-Y583 WeakPolarHBondContact CA-OH 3.39Å; S564-Y583 PolarHBondContact O-OH 3.36Å
565	F	95.5	Very high	92.7	Very high	92 Å²	92	52 Å²	52	40%	0.404	28%	0.277	S	S	.	.	H	α-helix	trans	-63.9	-44.7	172.6	-81	-84.8	0	0	0	112.5	F561 G562 Y563 Y567 F568 L569 F584	F561-F565 HydrophobicContact CD1-CE2 4.06Å; F561-F565 HydrophobicContact CD2-CE2 4.49Å; F561-F565 HydrophobicContact CE1-CD2 4.37Å; F561-F565 AromaticContact CE1-CE2 3.5Å; F561-F565 HydrophobicContact CE1-CE2 3.5Å; F561-F565 VanDerWaalsContact CE1-CE2 3.5Å; F561-F565 HydrophobicContact CE1-CZ 4.35Å; F561-F565 AromaticContact CE2-CE2 3.94Å; F561-F565 HydrophobicContact CE2-CE2 3.94Å; F561-F565 HydrophobicContact CZ-CD2 4.43Å; F561-F565 AromaticContact CZ-CE2 3.42Å; F561-F565 HydrophobicContact CZ-CE2 3.42Å; F561-F565 VanDerWaalsContact CZ-CE2 3.42Å; F561-F565 HydrophobicContact CZ-CZ 4.05Å; F561-F565 WeakPolarHBondContact O-CD2 3.47Å; F561-F565 PolarHBondContact O-N 3.04Å; G562-F565 PolarHBondContact O-N 3.17Å; Y563-F565 VanDerWaalsContact C-N 3.3Å; Y563-F565 PolarHBondContact O-N 3.48Å; F565-Y567 VanDerWaalsContact C-N 3.33Å; F565-Y567 PolarHBondContact O-N 3.02Å; F565-F568 PolarHBondContact O-N 2.69Å; F565-L569 WeakPolarHBondContact O-CG 3.49Å; F565-L569 PolarHBondContact O-N 3.08Å; F565-L569 VanDerWaalsContact O-N 3.08Å; F565-F584 AromaticContact CD1-CE1 3.57Å; F565-F584 HydrophobicContact CD1-CE1 3.57Å; F565-F584 AromaticContact CD1-CZ 3.74Å; F565-F584 HydrophobicContact CD1-CZ 3.74Å; F565-F584 HydrophobicContact CD2-CE1 4.2Å; F565-F584 HydrophobicContact CE1-CD1 4.26Å; F565-F584 AromaticContact CE1-CE1 3.35Å; F565-F584 HydrophobicContact CE1-CE1 3.35Å; F565-F584 AromaticContact CE1-CZ 3.61Å; F565-F584 HydrophobicContact CE1-CZ 3.61Å; F565-F584 HydrophobicContact CE2-CD1 4.49Å; F565-F584 HydrophobicContact CE2-CE1 4Å; F565-F584 AromaticContact CG-CE1 4Å; F565-F584 HydrophobicContact CG-CE1 4Å; F565-F584 HydrophobicContact CZ-CD1 4.11Å; F565-F584 AromaticContact CZ-CE1 3.58Å; F565-F584 HydrophobicContact CZ-CE1 3.58Å; F565-F584 HydrophobicContact CZ-CZ 4.29Å
566	F	95.2	Very high	92.2	Very high	118 Å²	118	54.3 Å²	54.3	52%	0.518	29%	0.288	S	S	.	.	H	α-helix	trans	-59.7	-44.3	177.2	172.7	-96.3	0	0	0	111.9	G562 Y563 L569 T570	G562-F566 PolarHBondContact O-N 3.19Å; G562-F566 VanDerWaalsContact O-N 3.11Å; Y563-F566 HydrophobicContact CD2-CD1 4.09Å; Y563-F566 AromaticContact CE2-CD1 3.94Å; Y563-F566 HydrophobicContact CE2-CD1 3.94Å; Y563-F566 HydrophobicContact CE2-CE1 4.42Å; Y563-F566 WeakPolarHBondContact O-CB 3.26Å; Y563-F566 PolarHBondContact O-N 2.65Å; Y563-F566 VanDerWaalsContact O-N 3.15Å; F566-L569 PolarHBondContact O-N 3Å; F566-T570 HydrophobicContact CD2-CG2 4Å; F566-T570 HydrophobicContact CE1-CG2 4.45Å; F566-T570 HydrophobicContact CE2-CG2 3.62Å; F566-T570 HydrophobicContact CZ-CG2 3.87Å; F566-T570 WeakPolarHBondContact O-CB 3.26Å; F566-T570 WeakPolarHBondContact O-CG2 3.09Å; F566-T570 PolarHBondContact O-N 2.94Å; F566-T570 PolarHBondContact O-OG1 3.02Å
567	Y	93.9	Very high	92	Very high	1 Å²	1	61.4 Å²	61.4	0%	0.004	32%	0.319	C	S	.	.	H	α-helix	trans	-64.7	-42.2	178.6	-169.5	-87.6	0	0	0	111.4	Y500 N501 W504 Y563 S564 F565 L569 T570 K571 L572 Y583	Y500-Y567 AromaticContact CD1-CD1 3.92Å; Y500-Y567 HydrophobicContact CD1-CD1 3.92Å; Y500-Y567 HydrophobicContact CD1-CD2 4.45Å; Y500-Y567 HydrophobicContact CD1-CE1 4.29Å; Y500-Y567 HydrophobicContact CD1-CG 4Å; N501-Y567 WeakPolarHBondContact OD1-CE2 3.36Å; N501-Y567 PolarHBondContact OD1-OH 3.33Å; W504-Y567 HydrophobicContact CB-CE1 4.42Å; Y563-Y567 HydrophobicContact CE1-CD2 4.25Å; Y563-Y567 WeakPolarHBondContact O-CB 3.45Å; Y563-Y567 PolarHBondContact O-N 2.94Å; S564-Y567 PolarHBondContact O-N 3.27Å; F565-Y567 VanDerWaalsContact C-N 3.33Å; F565-Y567 PolarHBondContact O-N 3.02Å; Y567-L569 VanDerWaalsContact C-N 3.33Å; Y567-L569 PolarHBondContact O-N 2.92Å; Y567-T570 PolarHBondContact O-N 3.23Å; Y567-K571 HydrophobicContact CD1-CB 4.35Å; Y567-K571 HydrophobicContact CD2-CB 4.21Å; Y567-K571 HydrophobicContact CD2-CG 4.06Å; Y567-K571 HydrophobicContact CE1-CB 4.16Å; Y567-K571 HydrophobicContact CE2-CB 4.02Å; Y567-K571 HydrophobicContact CE2-CG 3.95Å; Y567-K571 HydrophobicContact CG-CB 4.37Å; Y567-K571 WeakPolarHBondContact O-CB 3.19Å; Y567-K571 PolarHBondContact O-N 3.15Å; Y567-L572 HydrophobicContact CD1-CD1 3.67Å; Y567-L572 HydrophobicContact CD1-CG 3.86Å; Y567-L572 HydrophobicContact CE1-CD1 3.8Å; Y567-L572 HydrophobicContact CE1-CD2 4.06Å; Y567-L572 HydrophobicContact CE1-CG 3.71Å; Y567-L572 PolarHBondContact O-N 2.83Å; Y567-Y583 HydrophobicContact CD1-CE2 4.41Å
568	F	93.3	Very high	91.7	Very high	34 Å²	34	61.6 Å²	61.6	15%	0.149	32%	0.32	C	S	.	.	H	α-helix	trans	-56.6	-43.5	173.8	-177.9	-97.4	0	0	0	112.8	S564 F565 L572 I574 T580 Y583 F584	S564-F568 WeakPolarHBondContact O-CB 3.13Å; S564-F568 PolarHBondContact O-N 3.3Å; F565-F568 PolarHBondContact O-N 2.69Å; F568-L572 HydrophobicContact CD2-CD1 4.4Å; F568-I574 HydrophobicContact CD2-CD1 4.48Å; F568-I574 HydrophobicContact CE2-CB 4.05Å; F568-I574 HydrophobicContact CE2-CD1 4.24Å; F568-I574 HydrophobicContact CE2-CG2 4.41Å; F568-T580 HydrophobicContact CE2-CG2 4.1Å; F568-T580 HydrophobicContact CZ-CG2 3.93Å; F568-Y583 HydrophobicContact CB-CD1 4.29Å; F568-Y583 HydrophobicContact CB-CE1 3.68Å; F568-Y583 AromaticContact CD2-CD1 3.7Å; F568-Y583 HydrophobicContact CD2-CD1 3.7Å; F568-Y583 AromaticContact CD2-CE1 3.97Å; F568-Y583 HydrophobicContact CD2-CE1 3.97Å; F568-Y583 HydrophobicContact CD2-CG 4.22Å; F568-Y583 HydrophobicContact CG-CD1 4.33Å; F568-Y583 HydrophobicContact CG-CE1 4.2Å; F568-F584 HydrophobicContact CB-CZ 4.21Å; F568-F584 HydrophobicContact CD1-CE2 4.16Å; F568-F584 AromaticContact CD1-CZ 3.97Å; F568-F584 HydrophobicContact CD1-CZ 3.97Å; F568-F584 HydrophobicContact CD2-CE2 4.07Å; F568-F584 HydrophobicContact CD2-CZ 4.26Å; F568-F584 HydrophobicContact CE1-CE2 4.22Å; F568-F584 HydrophobicContact CE1-CZ 4.45Å; F568-F584 HydrophobicContact CE2-CE2 4.13Å; F568-F584 HydrophobicContact CG-CE2 4.09Å; F568-F584 AromaticContact CG-CZ 3.88Å; F568-F584 HydrophobicContact CG-CZ 3.88Å; F568-F584 HydrophobicContact CZ-CE2 4.21Å
569	L	93.1	Very high	91.5	Very high	136 Å²	136	57.9 Å²	57.9	71%	0.712	30%	0.297	S	S	*	.	H	α-helix	trans	-79.2	-28.3	-176.4	-65.9	173.7	0	0	0	114.1	F565 F566 Y567	F565-L569 WeakPolarHBondContact O-CG 3.49Å; F565-L569 PolarHBondContact O-N 3.08Å; F565-L569 VanDerWaalsContact O-N 3.08Å; F566-L569 PolarHBondContact O-N 3Å; Y567-L569 VanDerWaalsContact C-N 3.33Å; Y567-L569 PolarHBondContact O-N 2.92Å
570	T	91.5	Very high	91.3	Very high	74 Å²	74	56 Å²	56	45%	0.454	29%	0.293	S	S	.	.	H	α-helix	trans	-106.2	-27.8	-169.8	58	0	0	0	0	114.6	F566 Y567	F566-T570 HydrophobicContact CD2-CG2 4Å; F566-T570 HydrophobicContact CE1-CG2 4.45Å; F566-T570 HydrophobicContact CE2-CG2 3.62Å; F566-T570 HydrophobicContact CZ-CG2 3.87Å; F566-T570 WeakPolarHBondContact O-CB 3.26Å; F566-T570 WeakPolarHBondContact O-CG2 3.09Å; F566-T570 PolarHBondContact O-N 2.94Å; F566-T570 PolarHBondContact O-OG1 3.02Å; Y567-T570 PolarHBondContact O-N 3.23Å
571	K	86.3	Confident	91.1	Very high	117 Å²	117	57.3 Å²	57.3	51%	0.509	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-35.6	-174.4	-66	-62.9	-173.9	178	0	112.9	Y567	Y567-K571 HydrophobicContact CD1-CB 4.35Å; Y567-K571 HydrophobicContact CD2-CB 4.21Å; Y567-K571 HydrophobicContact CD2-CG 4.06Å; Y567-K571 HydrophobicContact CE1-CB 4.16Å; Y567-K571 HydrophobicContact CE2-CB 4.02Å; Y567-K571 HydrophobicContact CE2-CG 3.95Å; Y567-K571 HydrophobicContact CG-CB 4.37Å; Y567-K571 WeakPolarHBondContact O-CB 3.19Å; Y567-K571 PolarHBondContact O-N 3.15Å
572	L	86.4	Confident	91	Very high	17 Å²	17	54.5 Å²	54.5	9%	0.089	29%	0.288	C	S	.	.			trans	-92.4	126.7	-177.6	-65.8	171.2	0	0	0	110.9	W504 Y567 F568 I574 Y583	W504-L572 HydrophobicContact CB-CD2 4.15Å; Y567-L572 HydrophobicContact CD1-CD1 3.67Å; Y567-L572 HydrophobicContact CD1-CG 3.86Å; Y567-L572 HydrophobicContact CE1-CD1 3.8Å; Y567-L572 HydrophobicContact CE1-CD2 4.06Å; Y567-L572 HydrophobicContact CE1-CG 3.71Å; Y567-L572 PolarHBondContact O-N 2.83Å; F568-L572 HydrophobicContact CD2-CD1 4.4Å; L572-I574 VanDerWaalsContact C-N 3.29Å; L572-I574 HydrophobicContact CB-CD1 4.01Å; L572-I574 HydrophobicContact CB-CG1 4.1Å; L572-I574 HydrophobicContact CD1-CD1 3.9Å; L572-I574 HydrophobicContact CD2-CD1 4.26Å; L572-I574 HydrophobicContact CG-CD1 4.29Å; L572-I574 PolarHBondContact O-N 2.82Å; L572-Y583 HydrophobicContact CD1-CD2 3.56Å; L572-Y583 HydrophobicContact CD1-CE2 3.27Å; L572-Y583 HydrophobicContact CD1-CG 4.32Å
573	S	83.9	Confident	90.8	Very high	62 Å²	62	52.6 Å²	52.6	43%	0.434	27%	0.268	S	S	.	.			trans	-97.9	38.3	173	48.3	0	0	0	0	111.7	L46 T575	L46-S573 WeakPolarHBondContact CD2-OG 3.15Å; S573-T575 PolarHBondContact O-N 3.49Å
574	I	84	Confident	90.8	Very high	15 Å²	15	53.5 Å²	53.5	8%	0.077	27%	0.272	C	S	.	.			trans	-73.7	117.1	-179.8	-62.5	167.5	0	0	0	109.2	Q48 F568 L572 P579	Q48-I574 HydrophobicContact CG-CD1 3.74Å; Q48-I574 HydrophobicContact CG-CG1 4.09Å; F568-I574 HydrophobicContact CD2-CD1 4.48Å; F568-I574 HydrophobicContact CE2-CB 4.05Å; F568-I574 HydrophobicContact CE2-CD1 4.24Å; F568-I574 HydrophobicContact CE2-CG2 4.41Å; L572-I574 VanDerWaalsContact C-N 3.29Å; L572-I574 HydrophobicContact CB-CD1 4.01Å; L572-I574 HydrophobicContact CB-CG1 4.1Å; L572-I574 HydrophobicContact CD1-CD1 3.9Å; L572-I574 HydrophobicContact CD2-CD1 4.26Å; L572-I574 HydrophobicContact CG-CD1 4.29Å; L572-I574 PolarHBondContact O-N 2.82Å; I574-P579 HydrophobicContact CG2-CB 3.6Å
575	T	81.1	Confident	90.8	Very high	134 Å²	134	54 Å²	54	82%	0.822	28%	0.277	S	S	*	.			trans	-105.9	-22.5	177.7	55.8	0	0	0	0	113.4	S573	S573-T575 PolarHBondContact O-N 3.49Å
576	E	86.1	Confident	90.8	Very high	48 Å²	48	53.8 Å²	53.8	22%	0.224	27%	0.274	C	S	.	.	S	Bend	trans	-83.5	144.6	-176.1	-72.3	-168	-152.6	0	0	113.2	K416 P579 T580	K416-E576 IonicContact NZ-OE2 2.65Å; K416-E576 PolarHBondContact NZ-OE2 2.98Å; E576-P579 HydrophobicContact CB-CG 3.91Å; E576-P579 WeakPolarHBondContact O-CD 3.36Å; E576-T580 PolarHBondContact O-N 2.7Å; E576-T580 PolarHBondContact O-OG1 3.35Å
577	F	89.9	Confident	90.8	Very high	149 Å²	149	48.1 Å²	48.1	65%	0.654	25%	0.249	S	C	*	.	H	α-helix	trans	-61.6	-46.6	-178	-179.6	-109.2	0	0	0	114.9	F412 T580 I581	F412-F577 HydrophobicContact CE1-CE1 4.3Å; F577-T580 WeakPolarHBondContact O-CB 3.23Å; F577-T580 PolarHBondContact O-N 3.08Å; F577-I581 HydrophobicContact CD1-CD1 3.88Å; F577-I581 HydrophobicContact CE1-CD1 3.29Å; F577-I581 HydrophobicContact CE1-CG1 4.38Å; F577-I581 HydrophobicContact CE2-CD1 4.05Å; F577-I581 HydrophobicContact CE2-CG1 4.46Å; F577-I581 HydrophobicContact CG-CD1 4.49Å; F577-I581 HydrophobicContact CZ-CD1 3.41Å; F577-I581 VanDerWaalsContact CZ-CD1 3.41Å; F577-I581 HydrophobicContact CZ-CG1 4.27Å; F577-I581 PolarHBondContact O-N 3.06Å; F577-I581 VanDerWaalsContact O-N 3.07Å
578	V	91.6	Very high	91	Very high	10 Å²	10	50.7 Å²	50.7	6%	0.061	26%	0.262	C	S	.	.	H	α-helix	trans	-65.2	-49.3	-176.2	170.4	0	0	0	0	111.9	F412 K416 T580 I581 I582	F412-V578 HydrophobicContact CB-CG1 4.02Å; F412-V578 HydrophobicContact CD1-CG2 4.3Å; K416-V578 HydrophobicContact CG-CB 4.13Å; K416-V578 HydrophobicContact CG-CG1 3.85Å; K416-V578 HydrophobicContact CG-CG2 4.11Å; V578-T580 VanDerWaalsContact C-N 3.27Å; V578-T580 PolarHBondContact O-N 3.3Å; V578-I581 WeakPolarHBondContact O-CB 3.23Å; V578-I581 PolarHBondContact O-N 2.86Å; V578-I581 VanDerWaalsContact O-N 3.11Å; V578-I582 HydrophobicContact CG1-CD1 3.8Å; V578-I582 HydrophobicContact CG1-CG1 4.41Å; V578-I582 WeakPolarHBondContact O-CG1 3.43Å; V578-I582 PolarHBondContact O-N 2.91Å
579	P	91.4	Very high	91.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-56.4	-37.5	172.6	-30.1	40	0	0	0	114	T47 L49 I574 E576 I582 Y583	T47-P579 WeakPolarHBondContact O-CB 3.41Å; T47-P579 WeakPolarHBondContact O-CG 3.31Å; L49-P579 HydrophobicContact CD1-CG 4.16Å; L49-P579 HydrophobicContact CG-CG 4.41Å; I574-P579 HydrophobicContact CG2-CB 3.6Å; E576-P579 HydrophobicContact CB-CG 3.91Å; E576-P579 WeakPolarHBondContact O-CD 3.36Å; P579-I582 PolarHBondContact O-N 3.03Å; P579-Y583 WeakPolarHBondContact O-CB 3.27Å; P579-Y583 PolarHBondContact O-N 3.42Å
580	T	92.8	Very high	91.3	Very high	34 Å²	34	45.8 Å²	45.8	21%	0.209	24%	0.237	C	C	.	.	H	α-helix	trans	-61.1	-43.9	174	-55.5	0	0	0	0	111.9	F568 E576 F577 V578 Y583 F584	F568-T580 HydrophobicContact CE2-CG2 4.1Å; F568-T580 HydrophobicContact CZ-CG2 3.93Å; E576-T580 PolarHBondContact O-N 2.7Å; E576-T580 PolarHBondContact O-OG1 3.35Å; F577-T580 WeakPolarHBondContact O-CB 3.23Å; F577-T580 PolarHBondContact O-N 3.08Å; V578-T580 VanDerWaalsContact C-N 3.27Å; V578-T580 PolarHBondContact O-N 3.3Å; T580-Y583 PolarHBondContact O-N 3.38Å; T580-F584 HydrophobicContact CG2-CD2 3.69Å; T580-F584 HydrophobicContact CG2-CE2 3.77Å; T580-F584 WeakPolarHBondContact O-CD2 2.98Å; T580-F584 PolarHBondContact O-N 3.12Å
581	I	93.3	Very high	91.6	Very high	40 Å²	40	42.9 Å²	42.9	21%	0.205	22%	0.22	C	C	.	.	H	α-helix	trans	-62	-44.3	175.1	-70.5	175	0	0	0	111.1	F412 F577 V578 Y583 G585	F412-I581 HydrophobicContact CD1-CD1 4.23Å; F412-I581 HydrophobicContact CD2-CD1 4.31Å; F412-I581 HydrophobicContact CD2-CG2 3.93Å; F412-I581 HydrophobicContact CE1-CD1 3.88Å; F412-I581 HydrophobicContact CE2-CD1 3.99Å; F412-I581 HydrophobicContact CE2-CG2 4.17Å; F412-I581 HydrophobicContact CG-CD1 4.44Å; F412-I581 HydrophobicContact CZ-CD1 3.76Å; F577-I581 HydrophobicContact CD1-CD1 3.88Å; F577-I581 HydrophobicContact CE1-CD1 3.29Å; F577-I581 HydrophobicContact CE1-CG1 4.38Å; F577-I581 HydrophobicContact CE2-CD1 4.05Å; F577-I581 HydrophobicContact CE2-CG1 4.46Å; F577-I581 HydrophobicContact CG-CD1 4.49Å; F577-I581 HydrophobicContact CZ-CD1 3.41Å; F577-I581 VanDerWaalsContact CZ-CD1 3.41Å; F577-I581 HydrophobicContact CZ-CG1 4.27Å; F577-I581 PolarHBondContact O-N 3.06Å; F577-I581 VanDerWaalsContact O-N 3.07Å; V578-I581 WeakPolarHBondContact O-CB 3.23Å; V578-I581 PolarHBondContact O-N 2.86Å; V578-I581 VanDerWaalsContact O-N 3.11Å; I581-Y583 VanDerWaalsContact C-N 3.34Å; I581-Y583 PolarHBondContact O-N 3.4Å; I581-G585 WeakPolarHBondContact O-CA 3.43Å; I581-G585 PolarHBondContact O-N 3.27Å
582	I	92.9	Very high	92.1	Very high	7 Å²	7	39.4 Å²	39.4	4%	0.036	21%	0.207	C	C	.	.	H	α-helix	trans	-60.1	-48	179.7	-67.7	166.5	0	0	0	109.9	L49 I409 I413 W504 V578 P579 G585 Y586	L49-I582 HydrophobicContact CD2-CD1 3.39Å; L49-I582 HydrophobicContact CG-CD1 4.26Å; I409-I582 HydrophobicContact CG2-CG1 4.24Å; I413-I582 HydrophobicContact CD1-CD1 4.23Å; I413-I582 HydrophobicContact CD1-CG1 4.35Å; I413-I582 HydrophobicContact CG1-CD1 3.61Å; I413-I582 HydrophobicContact CG1-CG1 3.99Å; W504-I582 HydrophobicContact CZ3-CG2 4.44Å; V578-I582 HydrophobicContact CG1-CD1 3.8Å; V578-I582 HydrophobicContact CG1-CG1 4.41Å; V578-I582 WeakPolarHBondContact O-CG1 3.43Å; V578-I582 PolarHBondContact O-N 2.91Å; P579-I582 PolarHBondContact O-N 3.03Å; I582-G585 PolarHBondContact O-N 3.42Å; I582-Y586 HydrophobicContact CG2-CD2 3.68Å; I582-Y586 HydrophobicContact CG2-CE2 3.69Å; I582-Y586 VanDerWaalsContact O-CD2 3.25Å; I582-Y586 WeakPolarHBondContact O-CD2 3.32Å; I582-Y586 PolarHBondContact O-N 3.4Å
583	Y	94.1	Very high	92.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.4	-56.3	178.4	178.6	-95.3	0	0	0	112.3	Y500 W504 S564 Y567 F568 L572 P579 T580 I581 S587	Y500-Y583 HydrophobicContact CE1-CE2 4.37Å; Y500-Y583 WeakPolarHBondContact CE1-OH 3.32Å; W504-Y583 AromaticContact CD1-CE2 3.88Å; W504-Y583 AromaticContact CD2-CD2 3.74Å; W504-Y583 HydrophobicContact CD2-CD2 3.74Å; W504-Y583 HydrophobicContact CD2-CE2 4Å; W504-Y583 AromaticContact CE2-CD2 3.48Å; W504-Y583 VanDerWaalsContact CE2-CD2 3.48Å; W504-Y583 AromaticContact CE2-CE2 3.58Å; W504-Y583 HydrophobicContact CE3-CD2 4.07Å; W504-Y583 HydrophobicContact CG-CD2 4.33Å; W504-Y583 HydrophobicContact CG-CE2 4.19Å; W504-Y583 AromaticContact CH2-CD2 3.96Å; W504-Y583 HydrophobicContact CH2-CD2 3.96Å; W504-Y583 AromaticContact CZ2-CD2 3.6Å; W504-Y583 HydrophobicContact CZ2-CD2 3.6Å; W504-Y583 HydrophobicContact CZ2-CE2 4.02Å; W504-Y583 HydrophobicContact CZ2-CG 4.44Å; W504-Y583 HydrophobicContact CZ3-CD2 4.18Å; W504-Y583 AromaticContact NE1-CD2 3.92Å; W504-Y583 AromaticContact NE1-CE2 3.49Å; S564-Y583 WeakPolarHBondContact CA-OH 3.39Å; S564-Y583 PolarHBondContact O-OH 3.36Å; Y567-Y583 HydrophobicContact CD1-CE2 4.41Å; F568-Y583 HydrophobicContact CB-CD1 4.29Å; F568-Y583 HydrophobicContact CB-CE1 3.68Å; F568-Y583 AromaticContact CD2-CD1 3.7Å; F568-Y583 HydrophobicContact CD2-CD1 3.7Å; F568-Y583 AromaticContact CD2-CE1 3.97Å; F568-Y583 HydrophobicContact CD2-CE1 3.97Å; F568-Y583 HydrophobicContact CD2-CG 4.22Å; F568-Y583 HydrophobicContact CG-CD1 4.33Å; F568-Y583 HydrophobicContact CG-CE1 4.2Å; L572-Y583 HydrophobicContact CD1-CD2 3.56Å; L572-Y583 HydrophobicContact CD1-CE2 3.27Å; L572-Y583 HydrophobicContact CD1-CG 4.32Å; P579-Y583 WeakPolarHBondContact O-CB 3.27Å; P579-Y583 PolarHBondContact O-N 3.42Å; T580-Y583 PolarHBondContact O-N 3.38Å; I581-Y583 VanDerWaalsContact C-N 3.34Å; I581-Y583 PolarHBondContact O-N 3.4Å; Y583-S587 VanDerWaalsContact O-CB 3.26Å; Y583-S587 WeakPolarHBondContact O-CB 3.33Å; Y583-S587 PolarHBondContact O-N 3.3Å; Y583-S587 PolarHBondContact O-OG 3.19Å
584	F	95.5	Very high	93.3	Very high	36 Å²	36	38.8 Å²	38.8	16%	0.158	20%	0.199	C	C	.	.	H	α-helix	trans	-69.8	-34.7	-177.7	-78.2	-67	0	0	0	112.3	F565 F568 T580 S587 I588	F565-F584 AromaticContact CD1-CE1 3.57Å; F565-F584 HydrophobicContact CD1-CE1 3.57Å; F565-F584 AromaticContact CD1-CZ 3.74Å; F565-F584 HydrophobicContact CD1-CZ 3.74Å; F565-F584 HydrophobicContact CD2-CE1 4.2Å; F565-F584 HydrophobicContact CE1-CD1 4.26Å; F565-F584 AromaticContact CE1-CE1 3.35Å; F565-F584 HydrophobicContact CE1-CE1 3.35Å; F565-F584 AromaticContact CE1-CZ 3.61Å; F565-F584 HydrophobicContact CE1-CZ 3.61Å; F565-F584 HydrophobicContact CE2-CD1 4.49Å; F565-F584 HydrophobicContact CE2-CE1 4Å; F565-F584 AromaticContact CG-CE1 4Å; F565-F584 HydrophobicContact CG-CE1 4Å; F565-F584 HydrophobicContact CZ-CD1 4.11Å; F565-F584 AromaticContact CZ-CE1 3.58Å; F565-F584 HydrophobicContact CZ-CE1 3.58Å; F565-F584 HydrophobicContact CZ-CZ 4.29Å; F568-F584 HydrophobicContact CB-CZ 4.21Å; F568-F584 HydrophobicContact CD1-CE2 4.16Å; F568-F584 AromaticContact CD1-CZ 3.97Å; F568-F584 HydrophobicContact CD1-CZ 3.97Å; F568-F584 HydrophobicContact CD2-CE2 4.07Å; F568-F584 HydrophobicContact CD2-CZ 4.26Å; F568-F584 HydrophobicContact CE1-CE2 4.22Å; F568-F584 HydrophobicContact CE1-CZ 4.45Å; F568-F584 HydrophobicContact CE2-CE2 4.13Å; F568-F584 HydrophobicContact CG-CE2 4.09Å; F568-F584 AromaticContact CG-CZ 3.88Å; F568-F584 HydrophobicContact CG-CZ 3.88Å; F568-F584 HydrophobicContact CZ-CE2 4.21Å; T580-F584 HydrophobicContact CG2-CD2 3.69Å; T580-F584 HydrophobicContact CG2-CE2 3.77Å; T580-F584 WeakPolarHBondContact O-CD2 2.98Å; T580-F584 PolarHBondContact O-N 3.12Å; F584-S587 PolarHBondContact O-N 2.88Å; F584-I588 WeakPolarHBondContact O-CB 3.39Å; F584-I588 VanDerWaalsContact O-CG1 3.22Å; F584-I588 WeakPolarHBondContact O-CG1 3.27Å; F584-I588 PolarHBondContact O-N 3.47Å
585	G	95.3	Very high	93.9	Very high	9 Å²	9	41.3 Å²	41.3	9%	0.093	21%	0.208	C	C	.	.	H	α-helix	trans	-61	-50.8	176.9	0	0	0	0	0	112.2	I581 I582 I588 L589	I581-G585 WeakPolarHBondContact O-CA 3.43Å; I581-G585 PolarHBondContact O-N 3.27Å; I582-G585 PolarHBondContact O-N 3.42Å; G585-I588 PolarHBondContact O-N 3.44Å; G585-L589 PolarHBondContact O-N 3.04Å
586	Y	94.9	Very high	94.8	Very high	88 Å²	88	35 Å²	35	35%	0.345	17%	0.169	S	C	.	.	H	α-helix	trans	-67.2	-35.7	174.2	-74.5	-58.1	0	0	0	112.3	I409 W504 I582 I588 L589 M590	I409-Y586 HydrophobicContact CD1-CD1 4.25Å; I409-Y586 HydrophobicContact CD1-CD2 4.47Å; I409-Y586 HydrophobicContact CD1-CE1 4.26Å; I409-Y586 HydrophobicContact CD1-CG 4.34Å; I409-Y586 HydrophobicContact CG2-CE2 3.95Å; W504-Y586 HydrophobicContact CH2-CD2 4.12Å; I582-Y586 HydrophobicContact CG2-CD2 3.68Å; I582-Y586 HydrophobicContact CG2-CE2 3.69Å; I582-Y586 VanDerWaalsContact O-CD2 3.25Å; I582-Y586 WeakPolarHBondContact O-CD2 3.32Å; I582-Y586 PolarHBondContact O-N 3.4Å; Y586-I588 PolarHBondContact O-N 2.8Å; Y586-L589 HydrophobicContact CD1-CD1 4.38Å; Y586-L589 PolarHBondContact O-N 2.83Å; Y586-M590 WeakPolarHBondContact O-CG 3.15Å; Y586-M590 PolarHBondContact O-N 3.39Å
587	S	95.8	Very high	95.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.5	-38.5	177.2	-60.5	0	0	0	0	113.1	Y583 F584 M590 A591	Y583-S587 VanDerWaalsContact O-CB 3.26Å; Y583-S587 WeakPolarHBondContact O-CB 3.33Å; Y583-S587 PolarHBondContact O-N 3.3Å; Y583-S587 PolarHBondContact O-OG 3.19Å; F584-S587 PolarHBondContact O-N 2.88Å; S587-M590 PolarHBondContact O-N 2.81Å; S587-A591 WeakPolarHBondContact O-CB 3.38Å; S587-A591 PolarHBondContact O-N 3.49Å
588	I	97.2	Very high	95.7	Very high	54 Å²	54	26 Å²	26	28%	0.277	13%	0.129	S	C	.	.	H	α-helix	trans	-64.4	-44.8	172.6	-69.6	165	0	0	0	110.4	F405 F561 F584 G585 Y586 M590 A591 I592	F405-I588 HydrophobicContact CE1-CB 4.09Å; F405-I588 HydrophobicContact CE1-CD1 4.36Å; F405-I588 HydrophobicContact CE1-CG2 3.6Å; F405-I588 HydrophobicContact CZ-CG2 3.65Å; F561-I588 HydrophobicContact CD2-CG1 4.42Å; F561-I588 HydrophobicContact CE2-CD1 4.49Å; F561-I588 HydrophobicContact CE2-CG1 3.53Å; F561-I588 HydrophobicContact CZ-CG1 3.95Å; F584-I588 WeakPolarHBondContact O-CB 3.39Å; F584-I588 VanDerWaalsContact O-CG1 3.22Å; F584-I588 WeakPolarHBondContact O-CG1 3.27Å; F584-I588 PolarHBondContact O-N 3.47Å; G585-I588 PolarHBondContact O-N 3.44Å; Y586-I588 PolarHBondContact O-N 2.8Å; I588-M590 VanDerWaalsContact C-N 3.35Å; I588-M590 PolarHBondContact O-N 2.89Å; I588-A591 PolarHBondContact O-N 2.71Å; I588-I592 HydrophobicContact CG2-CD1 3.73Å; I588-I592 HydrophobicContact CG2-CG1 4.32Å; I588-I592 WeakPolarHBondContact O-CG1 3.34Å; I588-I592 PolarHBondContact O-N 2.66Å
589	L	96.8	Very high	95.9	Very high	17 Å²	17	25.6 Å²	25.6	9%	0.089	13%	0.127	C	C	.	.	H	α-helix	trans	-61.2	-41.9	176.3	-79	178.7	0	0	0	112.4	I401 V402 F405 G585 Y586 I592 T593	I401-L589 HydrophobicContact CG2-CD2 4.23Å; V402-L589 HydrophobicContact CG2-CD2 4.38Å; F405-L589 HydrophobicContact CB-CD1 3.68Å; F405-L589 HydrophobicContact CB-CD2 3.76Å; F405-L589 HydrophobicContact CB-CG 3.78Å; F405-L589 HydrophobicContact CD1-CD2 4.48Å; F405-L589 HydrophobicContact CD1-CG 4.22Å; F405-L589 HydrophobicContact CD2-CD2 3.99Å; F405-L589 HydrophobicContact CG-CD1 4.41Å; F405-L589 HydrophobicContact CG-CD2 3.83Å; F405-L589 HydrophobicContact CG-CG 3.96Å; G585-L589 PolarHBondContact O-N 3.04Å; Y586-L589 HydrophobicContact CD1-CD1 4.38Å; Y586-L589 PolarHBondContact O-N 2.83Å; L589-I592 PolarHBondContact O-N 2.78Å; L589-T593 WeakPolarHBondContact O-CB 3.34Å; L589-T593 PolarHBondContact O-N 3.16Å; L589-T593 PolarHBondContact O-OG1 2.82Å
590	M	96.1	Very high	96.3	Very high	51 Å²	51	25.8 Å²	25.8	25%	0.251	13%	0.128	S	C	.	.	H	α-helix	trans	-59.8	-46	173.9	-72.8	-171	-66.2	0	0	111	Y500 I503 Y586 S587 I588 T593 F594	Y500-M590 HydrophobicContact CE1-CE 4.25Å; Y500-M590 HydrophobicContact CE2-CE 4.35Å; I503-M590 HydrophobicContact CD1-SD 4.28Å; Y586-M590 WeakPolarHBondContact O-CG 3.15Å; Y586-M590 PolarHBondContact O-N 3.39Å; S587-M590 PolarHBondContact O-N 2.81Å; I588-M590 VanDerWaalsContact C-N 3.35Å; I588-M590 PolarHBondContact O-N 2.89Å; M590-T593 PolarHBondContact O-N 2.89Å; M590-F594 VanDerWaalsContact O-CB 3.28Å; M590-F594 WeakPolarHBondContact O-CB 3.23Å; M590-F594 PolarHBondContact O-N 3.03Å
591	A	97.5	Very high	96.5	Very high	12 Å²	12	24.7 Å²	24.7	10%	0.099	12%	0.121	C	C	.	.	H	α-helix	trans	-63.7	-44.4	178.2	0	0	0	0	0	112.8	A557 F561 S587 I588 F594 W595	A557-A591 WeakPolarHBondContact CB-O 3.41Å; F561-A591 HydrophobicContact CB-CB 4.05Å; F561-A591 HydrophobicContact CD2-CB 4.41Å; S587-A591 WeakPolarHBondContact O-CB 3.38Å; S587-A591 PolarHBondContact O-N 3.49Å; I588-A591 PolarHBondContact O-N 2.71Å; A591-F594 PolarHBondContact O-N 2.92Å; A591-W595 WeakPolarHBondContact O-CB 3.49Å; A591-W595 PolarHBondContact O-N 2.83Å
592	I	97.8	Very high	96.6	Very high	44 Å²	44	22.8 Å²	22.8	23%	0.226	11%	0.111	C	C	.	.	H	α-helix	trans	-61.8	-46.1	176.8	-68.6	169.1	0	0	0	110.5	I401 F405 I588 L589 F594 W595 I596	I401-I592 HydrophobicContact CG2-CD1 4.15Å; F405-I592 HydrophobicContact CE2-CD1 4.39Å; F405-I592 HydrophobicContact CZ-CD1 4.5Å; I588-I592 HydrophobicContact CG2-CD1 3.73Å; I588-I592 HydrophobicContact CG2-CG1 4.32Å; I588-I592 WeakPolarHBondContact O-CG1 3.34Å; I588-I592 PolarHBondContact O-N 2.66Å; L589-I592 PolarHBondContact O-N 2.78Å; I592-F594 VanDerWaalsContact C-N 3.33Å; I592-F594 PolarHBondContact O-N 2.66Å; I592-W595 PolarHBondContact O-N 2.99Å; I592-I596 HydrophobicContact CG2-CD1 3.99Å; I592-I596 WeakPolarHBondContact O-CG1 3.43Å; I592-I596 PolarHBondContact O-N 3.19Å
593	T	97.5	Very high	96.8	Very high	37 Å²	37	22.6 Å²	22.6	23%	0.227	11%	0.11	C	C	.	.	H	α-helix	trans	-60.9	-45	178.9	-55.5	0	0	0	0	110.8	L332 F398 L589 M590 I596 L597	L332-T593 HydrophobicContact CD1-CG2 3.87Å; L332-T593 HydrophobicContact CD2-CG2 3.83Å; L332-T593 HydrophobicContact CG-CG2 4.46Å; F398-T593 HydrophobicContact CE2-CG2 4.36Å; F398-T593 WeakPolarHBondContact CE2-OG1 3.25Å; F398-T593 HydrophobicContact CZ-CG2 4.02Å; F398-T593 WeakPolarHBondContact CZ-OG1 3.34Å; L589-T593 WeakPolarHBondContact O-CB 3.34Å; L589-T593 PolarHBondContact O-N 3.16Å; L589-T593 PolarHBondContact O-OG1 2.82Å; M590-T593 PolarHBondContact O-N 2.89Å; T593-I596 PolarHBondContact O-N 2.84Å; T593-L597 WeakPolarHBondContact O-CB 3.45Å; T593-L597 PolarHBondContact O-N 3.48Å
594	F	97.4	Very high	96.9	Very high	29 Å²	29	24.9 Å²	24.9	13%	0.127	12%	0.124	C	C	.	.	H	α-helix	trans	-66.1	-38.3	178.4	-165.8	-117.3	0	0	0	112.3	V492 L522 A556 A557 L560 M590 A591 I592 L597 T598	V492-F594 HydrophobicContact CG2-CZ 4.22Å; L522-F594 HydrophobicContact CD1-CZ 4.06Å; L522-F594 HydrophobicContact CD2-CE2 3.62Å; L522-F594 HydrophobicContact CD2-CZ 3.99Å; A556-F594 HydrophobicContact CB-CD1 4.45Å; A556-F594 HydrophobicContact CB-CE1 3.64Å; A556-F594 HydrophobicContact CB-CZ 4.4Å; A557-F594 HydrophobicContact CB-CD1 4.13Å; L560-F594 HydrophobicContact CB-CD1 4.36Å; L560-F594 HydrophobicContact CD2-CB 3.78Å; L560-F594 HydrophobicContact CD2-CD1 3.79Å; L560-F594 HydrophobicContact CD2-CG 3.84Å; M590-F594 VanDerWaalsContact O-CB 3.28Å; M590-F594 WeakPolarHBondContact O-CB 3.23Å; M590-F594 PolarHBondContact O-N 3.03Å; A591-F594 PolarHBondContact O-N 2.92Å; I592-F594 VanDerWaalsContact C-N 3.33Å; I592-F594 PolarHBondContact O-N 2.66Å; F594-L597 PolarHBondContact O-N 3.42Å; F594-T598 HydrophobicContact CD1-CG2 4.34Å; F594-T598 HydrophobicContact CD2-CG2 4.23Å; F594-T598 HydrophobicContact CE1-CG2 4.04Å; F594-T598 HydrophobicContact CE2-CG2 3.91Å; F594-T598 HydrophobicContact CG-CG2 4.44Å; F594-T598 HydrophobicContact CZ-CG2 3.8Å; F594-T598 WeakPolarHBondContact O-CB 3.43Å; F594-T598 WeakPolarHBondContact O-CG2 3.42Å; F594-T598 PolarHBondContact O-N 2.84Å; F594-T598 PolarHBondContact O-OG1 3.2Å
595	W	97.9	Very high	96.8	Very high	68 Å²	68	24.5 Å²	24.5	26%	0.258	13%	0.125	S	C	.	.	H	α-helix	trans	-61.8	-47.5	175.8	179.9	79	0	0	0	111.8	L325 F550 I551 G554 A557 A591 I592 L597 T598 G599	L325-W595 HydrophobicContact CD1-CH2 4.05Å; L325-W595 HydrophobicContact CD1-CZ3 4.12Å; L325-W595 HydrophobicContact CD2-CZ3 4.16Å; F550-W595 AromaticContact CD1-CH2 3.92Å; F550-W595 HydrophobicContact CD1-CH2 3.92Å; F550-W595 AromaticContact CD1-CZ2 3.79Å; F550-W595 HydrophobicContact CD1-CZ2 3.79Å; F550-W595 HydrophobicContact CE1-CD2 4.33Å; F550-W595 HydrophobicContact CE1-CE3 4.13Å; F550-W595 AromaticContact CE1-CH2 3.52Å; F550-W595 HydrophobicContact CE1-CH2 3.52Å; F550-W595 AromaticContact CE1-CZ2 3.73Å; F550-W595 HydrophobicContact CE1-CZ2 3.73Å; F550-W595 AromaticContact CE1-CZ3 3.74Å; F550-W595 HydrophobicContact CE1-CZ3 3.74Å; I551-W595 HydrophobicContact CG1-CZ2 4.09Å; G554-W595 VanDerWaalsContact O-CD1 3.29Å; A557-W595 HydrophobicContact CB-CB 3.6Å; A557-W595 HydrophobicContact CB-CG 4.41Å; A591-W595 WeakPolarHBondContact O-CB 3.49Å; A591-W595 PolarHBondContact O-N 2.83Å; I592-W595 PolarHBondContact O-N 2.99Å; W595-L597 PolarHBondContact O-N 2.98Å; W595-T598 PolarHBondContact O-OG1 3.38Å; W595-G599 WeakPolarHBondContact O-CA 3.44Å; W595-G599 PolarHBondContact O-N 3.06Å
596	I	98.1	Very high	96.7	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-63.8	-42.6	178.6	-65.3	173.1	0	0	0	110.7	L325 G329 L332 F398 I592 T593 T600	L325-I596 HydrophobicContact CD2-CD1 4.19Å; L325-I596 HydrophobicContact CD2-CG1 4.26Å; G329-I596 VanDerWaalsContact CA-CG2 3.45Å; L332-I596 HydrophobicContact CD1-CB 4.12Å; L332-I596 HydrophobicContact CD1-CG2 3.9Å; F398-I596 HydrophobicContact CD2-CD1 3.58Å; F398-I596 HydrophobicContact CE2-CD1 4.21Å; F398-I596 HydrophobicContact CG-CD1 4.43Å; I592-I596 HydrophobicContact CG2-CD1 3.99Å; I592-I596 WeakPolarHBondContact O-CG1 3.43Å; I592-I596 PolarHBondContact O-N 3.19Å; T593-I596 PolarHBondContact O-N 2.84Å; I596-T600 VanDerWaalsContact O-CB 3.25Å; I596-T600 WeakPolarHBondContact O-CB 3.47Å; I596-T600 PolarHBondContact O-N 3.28Å; I596-T600 PolarHBondContact O-OG1 3.47Å
597	L	97.7	Very high	96.5	Very high	10 Å²	10	20.8 Å²	20.8	5%	0.052	11%	0.109	C	C	.	.	H	α-helix	trans	-62.9	-57.7	179.6	177.3	63.4	0	0	0	111.8	L332 F333 V336 F519 T593 F594 W595 T600 I601	L332-L597 HydrophobicContact CB-CD1 4.4Å; F333-L597 HydrophobicContact CB-CD1 3.91Å; F333-L597 HydrophobicContact CD2-CD1 4.35Å; V336-L597 HydrophobicContact CG2-CD2 4.47Å; F519-L597 HydrophobicContact CE2-CD2 4.19Å; T593-L597 WeakPolarHBondContact O-CB 3.45Å; T593-L597 PolarHBondContact O-N 3.48Å; F594-L597 PolarHBondContact O-N 3.42Å; W595-L597 PolarHBondContact O-N 2.98Å; L597-T600 PolarHBondContact O-N 3.35Å; L597-I601 HydrophobicContact CD1-CD1 4.22Å; L597-I601 HydrophobicContact CG-CD1 4.22Å; L597-I601 WeakPolarHBondContact O-CG1 3.29Å; L597-I601 PolarHBondContact O-N 2.93Å; L597-I601 VanDerWaalsContact O-N 3.07Å
598	T	97.3	Very high	96.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-65.9	-40.1	-178.2	51.6	0	0	0	0	112.3	L522 S553 G554 F594 W595 T600 I601 G602	L522-T598 HydrophobicContact CD1-CG2 4.26Å; L522-T598 HydrophobicContact CD2-CG2 4.36Å; S553-T598 PolarHBondContact OG-O 3.24Å; S553-T598 VanDerWaalsContact OG-O 3.11Å; G554-T598 WeakPolarHBondContact CA-OG1 3.32Å; F594-T598 HydrophobicContact CD1-CG2 4.34Å; F594-T598 HydrophobicContact CD2-CG2 4.23Å; F594-T598 HydrophobicContact CE1-CG2 4.04Å; F594-T598 HydrophobicContact CE2-CG2 3.91Å; F594-T598 HydrophobicContact CG-CG2 4.44Å; F594-T598 HydrophobicContact CZ-CG2 3.8Å; F594-T598 WeakPolarHBondContact O-CB 3.43Å; F594-T598 WeakPolarHBondContact O-CG2 3.42Å; F594-T598 PolarHBondContact O-N 2.84Å; F594-T598 PolarHBondContact O-OG1 3.2Å; W595-T598 PolarHBondContact O-OG1 3.38Å; T598-T600 VanDerWaalsContact C-N 3.31Å; T598-T600 PolarHBondContact O-N 3.42Å; T598-I601 PolarHBondContact O-N 3.26Å; T598-G602 PolarHBondContact O-N 3.31Å
599	G	97.5	Very high	95.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.6	-38.4	174	0	0	0	0	0	113.1	F550 W595 F603	F550-G599 WeakPolarHBondContact CD2-O 3.17Å; F550-G599 VanDerWaalsContact O-CA 3.22Å; F550-G599 WeakPolarHBondContact O-CA 3.36Å; W595-G599 WeakPolarHBondContact O-CA 3.44Å; W595-G599 PolarHBondContact O-N 3.06Å; G599-F603 VanDerWaalsContact O-CB 3.28Å; G599-F603 WeakPolarHBondContact O-CB 3.09Å; G599-F603 PolarHBondContact O-N 3.16Å
600	T	97.9	Very high	95	Very high	4 Å²	4	22.8 Å²	22.8	3%	0.025	12%	0.118	C	C	.	.	H	α-helix	trans	-71.1	-39.9	177.5	-62.5	0	0	0	0	112.4	F326 G329 V330 F550 I596 L597 T598 T604	F326-T600 HydrophobicContact CD2-CG2 3.77Å; F326-T600 HydrophobicContact CE2-CG2 3.89Å; G329-T600 WeakPolarHBondContact CA-OG1 3.24Å; V330-T600 HydrophobicContact CG2-CG2 3.97Å; F550-T600 WeakPolarHBondContact CE2-OG1 2.92Å; I596-T600 VanDerWaalsContact O-CB 3.25Å; I596-T600 WeakPolarHBondContact O-CB 3.47Å; I596-T600 PolarHBondContact O-N 3.28Å; I596-T600 PolarHBondContact O-OG1 3.47Å; L597-T600 PolarHBondContact O-N 3.35Å; T598-T600 VanDerWaalsContact C-N 3.31Å; T598-T600 PolarHBondContact O-N 3.42Å; T600-T604 WeakPolarHBondContact O-CB 3.43Å; T600-T604 PolarHBondContact O-N 3.16Å; T600-T604 PolarHBondContact O-OG1 2.95Å
601	I	97.6	Very high	94.2	Very high	12 Å²	12	21.6 Å²	21.6	6%	0.062	12%	0.116	C	C	.	.	H	α-helix	trans	-59.5	-54.3	174.3	-67.2	162	0	0	0	109.4	F333 I523 C526 L597 T598 F603 T604 S605	F333-I601 HydrophobicContact CD2-CD1 4.18Å; F333-I601 HydrophobicContact CD2-CG1 4.01Å; F333-I601 HydrophobicContact CE2-CG1 4.37Å; I523-I601 HydrophobicContact CG1-CD1 3.94Å; I523-I601 HydrophobicContact CG2-CG2 4.04Å; C526-I601 HydrophobicContact CB-CB 4.3Å; C526-I601 HydrophobicContact CB-CG2 3.81Å; L597-I601 HydrophobicContact CD1-CD1 4.22Å; L597-I601 HydrophobicContact CG-CD1 4.22Å; L597-I601 WeakPolarHBondContact O-CG1 3.29Å; L597-I601 PolarHBondContact O-N 2.93Å; L597-I601 VanDerWaalsContact O-N 3.07Å; T598-I601 PolarHBondContact O-N 3.26Å; I601-F603 PolarHBondContact O-N 3.34Å; I601-T604 PolarHBondContact O-N 2.89Å; I601-S605 PolarHBondContact O-N 2.69Å; I601-S605 PolarHBondContact O-OG 3.49Å
602	G	96.2	Very high	93.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.9	-46.8	-179.6	0	0	0	0	0	112.9	A530 S553 T598 T604 S605 T606	A530-G602 VanDerWaalsContact CB-CA 3.42Å; A530-G602 WeakPolarHBondContact CB-O 3.04Å; S553-G602 WeakPolarHBondContact OG-CA 3.15Å; T598-G602 PolarHBondContact O-N 3.31Å; G602-T604 PolarHBondContact O-N 3.33Å; G602-S605 PolarHBondContact O-N 3.46Å; G602-T606 WeakPolarHBondContact O-CB 3.27Å; G602-T606 PolarHBondContact O-N 3.3Å; G602-T606 PolarHBondContact O-OG1 3.13Å; G602-T606 VanDerWaalsContact O-OG1 3.13Å
603	F	96.6	Very high	91.9	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.009	13%	0.125	C	C	.	.	H	α-helix	trans	-59	-45.3	176.2	166.3	-102.5	0	0	0	112.5	F322 F326 L378 W545 W546 F550 G599 I601 S605 T606 F607	F322-F603 HydrophobicContact CE1-CD2 4.31Å; F322-F603 HydrophobicContact CE1-CE1 4.16Å; F322-F603 AromaticContact CE1-CE2 3.83Å; F322-F603 HydrophobicContact CE1-CE2 3.83Å; F322-F603 AromaticContact CE1-CZ 3.74Å; F322-F603 HydrophobicContact CE1-CZ 3.74Å; F322-F603 HydrophobicContact CZ-CD1 4.22Å; F322-F603 AromaticContact CZ-CD2 3.55Å; F322-F603 HydrophobicContact CZ-CD2 3.55Å; F322-F603 HydrophobicContact CZ-CE1 4.17Å; F322-F603 AromaticContact CZ-CE2 3.51Å; F322-F603 HydrophobicContact CZ-CE2 3.51Å; F322-F603 AromaticContact CZ-CG 3.92Å; F322-F603 HydrophobicContact CZ-CG 3.92Å; F322-F603 AromaticContact CZ-CZ 3.83Å; F322-F603 HydrophobicContact CZ-CZ 3.83Å; F326-F603 AromaticContact CD2-CD1 3.4Å; F326-F603 HydrophobicContact CD2-CD1 3.4Å; F326-F603 VanDerWaalsContact CD2-CD1 3.4Å; F326-F603 AromaticContact CD2-CE1 3.59Å; F326-F603 HydrophobicContact CD2-CE1 3.59Å; F326-F603 AromaticContact CE2-CD1 3.53Å; F326-F603 HydrophobicContact CE2-CD1 3.53Å; F326-F603 AromaticContact CE2-CE1 3.58Å; F326-F603 HydrophobicContact CE2-CE1 3.58Å; F326-F603 HydrophobicContact CG-CD1 4.39Å; F326-F603 HydrophobicContact CG-CE1 4.27Å; F326-F603 HydrophobicContact CZ-CE1 4.26Å; L378-F603 HydrophobicContact CD1-CZ 4.16Å; L378-F603 HydrophobicContact CD2-CE1 3.87Å; L378-F603 HydrophobicContact CD2-CZ 4.09Å; W545-F603 HydrophobicContact CH2-CD2 4.46Å; W545-F603 AromaticContact CH2-CE2 3.9Å; W545-F603 HydrophobicContact CH2-CE2 3.9Å; W545-F603 AromaticContact CZ3-CD2 3.85Å; W545-F603 HydrophobicContact CZ3-CD2 3.85Å; W545-F603 AromaticContact CZ3-CE2 3.74Å; W545-F603 HydrophobicContact CZ3-CE2 3.74Å; W546-F603 HydrophobicContact CD2-CE2 4.43Å; W546-F603 AromaticContact CE3-CE2 3.43Å; W546-F603 HydrophobicContact CE3-CE2 3.43Å; W546-F603 VanDerWaalsContact CE3-CE2 3.43Å; W546-F603 AromaticContact CE3-CZ 3.83Å; W546-F603 HydrophobicContact CE3-CZ 3.83Å; W546-F603 AromaticContact CZ3-CE2 3.69Å; W546-F603 HydrophobicContact CZ3-CE2 3.69Å; W546-F603 AromaticContact CZ3-CZ 3.66Å; W546-F603 HydrophobicContact CZ3-CZ 3.66Å; F550-F603 HydrophobicContact CD2-CB 4.13Å; G599-F603 VanDerWaalsContact O-CB 3.28Å; G599-F603 WeakPolarHBondContact O-CB 3.09Å; G599-F603 PolarHBondContact O-N 3.16Å; I601-F603 PolarHBondContact O-N 3.34Å; F603-S605 PolarHBondContact O-N 2.9Å; F603-T606 PolarHBondContact O-N 3.5Å; F603-F607 HydrophobicContact CE1-CB 4.5Å; F603-F607 HydrophobicContact CE2-CB 4.17Å; F603-F607 HydrophobicContact CE2-CD2 4.43Å; F603-F607 HydrophobicContact CZ-CB 4.07Å; F603-F607 HydrophobicContact CZ-CD2 4.1Å; F603-F607 HydrophobicContact CZ-CG 4.25Å; F603-F607 VanDerWaalsContact O-CB 3.31Å; F603-F607 WeakPolarHBondContact O-CB 3.17Å; F603-F607 PolarHBondContact O-N 3.15Å
604	T	95.9	Very high	90.5	Very high	49 Å²	49	22.6 Å²	22.6	30%	0.301	12%	0.115	S	C	.	.	H	α-helix	trans	-62.6	-45.6	-178.3	-54.8	0	0	0	0	111	F326 T600 I601 G602 F607 I608	F326-T604 WeakPolarHBondContact CE2-OG1 3.01Å; T600-T604 WeakPolarHBondContact O-CB 3.43Å; T600-T604 PolarHBondContact O-N 3.16Å; T600-T604 PolarHBondContact O-OG1 2.95Å; I601-T604 PolarHBondContact O-N 2.89Å; G602-T604 PolarHBondContact O-N 3.33Å; T604-F607 PolarHBondContact O-N 2.85Å; T604-I608 HydrophobicContact CG2-CD1 4.09Å; T604-I608 WeakPolarHBondContact O-CG1 3.12Å; T604-I608 PolarHBondContact O-N 3.18Å
605	S	93.7	Very high	89.1	Confident	27 Å²	27	27.2 Å²	27.2	19%	0.189	14%	0.135	C	C	.	.	H	α-helix	trans	-61.3	-45.3	177.8	-60	0	0	0	0	111.9	A527 I601 G602 F603 I608 F609	A527-S605 WeakPolarHBondContact CB-OG 3.43Å; I601-S605 PolarHBondContact O-N 2.69Å; I601-S605 PolarHBondContact O-OG 3.49Å; G602-S605 PolarHBondContact O-N 3.46Å; F603-S605 PolarHBondContact O-N 2.9Å; S605-I608 PolarHBondContact O-N 2.99Å; S605-F609 VanDerWaalsContact O-CB 3.29Å; S605-F609 WeakPolarHBondContact O-CB 3.45Å; S605-F609 PolarHBondContact O-N 3.45Å
606	T	92.5	Very high	87.5	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.6	-41.2	176.7	-62.6	0	0	0	0	112.4	A530 T534 W545 T549 G602 F603 I608 F609 S610	A530-T606 PolarHBondContact O-OG1 3.34Å; T534-T606 HydrophobicContact CG2-CG2 3.45Å; T534-T606 VanDerWaalsContact CG2-CG2 3.45Å; T534-T606 VanDerWaalsContact OG1-CG2 3.23Å; T534-T606 WeakPolarHBondContact OG1-CG2 3.4Å; T534-T606 PolarHBondContact OG1-OG1 3.29Å; W545-T606 HydrophobicContact CD2-CG2 4.47Å; W545-T606 HydrophobicContact CE3-CG2 3.63Å; W545-T606 HydrophobicContact CZ3-CG2 3.67Å; T549-T606 HydrophobicContact CG2-CG2 4.03Å; T549-T606 VanDerWaalsContact CG2-OG1 3.24Å; T549-T606 WeakPolarHBondContact CG2-OG1 3.36Å; G602-T606 WeakPolarHBondContact O-CB 3.27Å; G602-T606 PolarHBondContact O-N 3.3Å; G602-T606 PolarHBondContact O-OG1 3.13Å; G602-T606 VanDerWaalsContact O-OG1 3.13Å; F603-T606 PolarHBondContact O-N 3.5Å; T606-I608 VanDerWaalsContact C-N 3.32Å; T606-I608 PolarHBondContact O-N 3Å; T606-F609 PolarHBondContact O-N 3.38Å; T606-S610 WeakPolarHBondContact O-CB 3.15Å; T606-S610 PolarHBondContact O-N 2.86Å; T606-S610 PolarHBondContact O-OG 2.83Å; T606-S610 VanDerWaalsContact O-OG 3.11Å
607	F	92.4	Very high	85.6	Confident	20 Å²	20	28.3 Å²	28.3	9%	0.088	15%	0.146	C	C	.	.	H	α-helix	trans	-60	-43.4	177.9	178.8	-92.9	0	0	0	111.5	F455 W545 W546 F603 T604 A611	F455-F607 HydrophobicContact CB-CE1 3.94Å; F455-F607 HydrophobicContact CB-CZ 3.69Å; F455-F607 HydrophobicContact CD1-CE1 4.2Å; F455-F607 AromaticContact CD2-CE1 3.94Å; F455-F607 HydrophobicContact CD2-CE1 3.94Å; F455-F607 AromaticContact CD2-CZ 3.96Å; F455-F607 HydrophobicContact CD2-CZ 3.96Å; F455-F607 AromaticContact CG-CE1 3.78Å; F455-F607 HydrophobicContact CG-CE1 3.78Å; F455-F607 AromaticContact CG-CZ 3.92Å; F455-F607 HydrophobicContact CG-CZ 3.92Å; W545-F607 HydrophobicContact CH2-CB 4Å; W545-F607 AromaticContact CH2-CD2 3.9Å; W545-F607 HydrophobicContact CH2-CD2 3.9Å; W545-F607 HydrophobicContact CH2-CG 4.44Å; W545-F607 HydrophobicContact CZ2-CD2 4.49Å; W545-F607 HydrophobicContact CZ3-CB 4.47Å; W546-F607 AromaticContact CH2-CD2 3.81Å; W546-F607 HydrophobicContact CH2-CD2 3.81Å; W546-F607 AromaticContact CH2-CE2 3.65Å; W546-F607 HydrophobicContact CH2-CE2 3.65Å; W546-F607 AromaticContact CZ3-CD2 3.93Å; W546-F607 HydrophobicContact CZ3-CD2 3.93Å; W546-F607 HydrophobicContact CZ3-CE2 4.12Å; F603-F607 HydrophobicContact CE1-CB 4.5Å; F603-F607 HydrophobicContact CE2-CB 4.17Å; F603-F607 HydrophobicContact CE2-CD2 4.43Å; F603-F607 HydrophobicContact CZ-CB 4.07Å; F603-F607 HydrophobicContact CZ-CD2 4.1Å; F603-F607 HydrophobicContact CZ-CG 4.25Å; F603-F607 VanDerWaalsContact O-CB 3.31Å; F603-F607 WeakPolarHBondContact O-CB 3.17Å; F603-F607 PolarHBondContact O-N 3.15Å; T604-F607 PolarHBondContact O-N 2.85Å; F607-A611 WeakPolarHBondContact O-CB 3.25Å; F607-A611 PolarHBondContact O-N 2.84Å; F607-A611 VanDerWaalsContact O-N 3.08Å
608	I	88.8	Confident	83.8	Confident	76 Å²	76	33.2 Å²	33.2	39%	0.39	17%	0.169	S	C	.	.	H	α-helix	trans	-65.4	-48	174.5	-66.3	168.7	0	0	0	110.6	T604 S605 T606 S610 A611 I612	T604-I608 HydrophobicContact CG2-CD1 4.09Å; T604-I608 WeakPolarHBondContact O-CG1 3.12Å; T604-I608 PolarHBondContact O-N 3.18Å; S605-I608 PolarHBondContact O-N 2.99Å; T606-I608 VanDerWaalsContact C-N 3.32Å; T606-I608 PolarHBondContact O-N 3Å; I608-S610 PolarHBondContact O-N 2.89Å; I608-A611 PolarHBondContact O-N 3.12Å; I608-I612 HydrophobicContact CG2-CD1 3.61Å; I608-I612 HydrophobicContact CG2-CG1 4.34Å; I608-I612 WeakPolarHBondContact O-CG1 3.26Å; I608-I612 PolarHBondContact O-N 3.14Å
609	F	85	Confident	81.8	Confident	36 Å²	36	36.5 Å²	36.5	16%	0.158	19%	0.187	C	C	.	.	H	α-helix	trans	-57.8	-49	179.3	174.1	-99.4	0	0	0	112	L279 I531 S605 T606 A611 I612 Y613	L279-F609 HydrophobicContact CD2-CE2 4.09Å; L279-F609 HydrophobicContact CD2-CZ 4.33Å; I531-F609 HydrophobicContact CD1-CB 4.29Å; I531-F609 HydrophobicContact CD1-CG 4.49Å; I531-F609 HydrophobicContact CG1-CB 4.04Å; I531-F609 HydrophobicContact CG1-CG 4.15Å; I531-F609 HydrophobicContact CG2-CD1 3.95Å; I531-F609 HydrophobicContact CG2-CD2 3.93Å; I531-F609 HydrophobicContact CG2-CE1 3.99Å; I531-F609 HydrophobicContact CG2-CE2 3.98Å; I531-F609 HydrophobicContact CG2-CG 3.92Å; I531-F609 HydrophobicContact CG2-CZ 4Å; S605-F609 VanDerWaalsContact O-CB 3.29Å; S605-F609 WeakPolarHBondContact O-CB 3.45Å; S605-F609 PolarHBondContact O-N 3.45Å; T606-F609 PolarHBondContact O-N 3.38Å; F609-A611 PolarHBondContact O-N 3.25Å; F609-I612 PolarHBondContact O-N 2.82Å; F609-Y613 HydrophobicContact CZ-CD2 4.3Å; F609-Y613 HydrophobicContact CZ-CG 4.42Å; F609-Y613 WeakPolarHBondContact O-CB 3.43Å; F609-Y613 PolarHBondContact O-N 3.27Å
610	S	82.8	Confident	79.9	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.007	23%	0.229	C	C	.	.	H	α-helix	trans	-61.1	-43.1	177	-62.9	0	0	0	0	111.3	T606 I608 I612 L614	T606-S610 WeakPolarHBondContact O-CB 3.15Å; T606-S610 PolarHBondContact O-N 2.86Å; T606-S610 PolarHBondContact O-OG 2.83Å; T606-S610 VanDerWaalsContact O-OG 3.11Å; I608-S610 PolarHBondContact O-N 2.89Å; S610-I612 PolarHBondContact O-N 2.67Å; S610-L614 WeakPolarHBondContact O-CB 3.23Å; S610-L614 WeakPolarHBondContact O-CD1 3.46Å; S610-L614 PolarHBondContact O-N 3.1Å
611	A	80.7	Confident	77.3	Confident	26 Å²	26	53.1 Å²	53.1	22%	0.215	26%	0.257	C	S	.	.	H	α-helix	trans	-60.5	-46.2	176.8	0	0	0	0	0	112.4	F607 I608 F609 F615	F607-A611 WeakPolarHBondContact O-CB 3.25Å; F607-A611 PolarHBondContact O-N 2.84Å; F607-A611 VanDerWaalsContact O-N 3.08Å; I608-A611 PolarHBondContact O-N 3.12Å; F609-A611 PolarHBondContact O-N 3.25Å; A611-F615 WeakPolarHBondContact O-CB 3.49Å; A611-F615 PolarHBondContact O-N 3.47Å
612	I	75.3	Confident	74.6	Confident	70 Å²	70	56.8 Å²	56.8	36%	0.359	28%	0.28	S	S	.	.	H	α-helix	trans	-67.5	-48.7	179.8	-66.5	170.3	0	0	0	111.1	I608 F609 S610 L614 F615 C616 Y629	I608-I612 HydrophobicContact CG2-CD1 3.61Å; I608-I612 HydrophobicContact CG2-CG1 4.34Å; I608-I612 WeakPolarHBondContact O-CG1 3.26Å; I608-I612 PolarHBondContact O-N 3.14Å; F609-I612 PolarHBondContact O-N 2.82Å; S610-I612 PolarHBondContact O-N 2.67Å; I612-L614 VanDerWaalsContact C-N 3.34Å; I612-L614 PolarHBondContact O-N 3.07Å; I612-F615 PolarHBondContact O-N 3.11Å; I612-C616 WeakPolarHBondContact O-CB 3.4Å; I612-C616 PolarHBondContact O-N 2.95Å; I612-Y629 HydrophobicContact CD1-CE2 4.17Å
613	Y	70.9	Confident	72.4	Confident	41 Å²	41	61.2 Å²	61.2	16%	0.161	30%	0.297	C	S	.	.	H	α-helix	trans	-59.7	-45	-177.7	-177	-102.1	0	0	0	111.4	W305 F609 H617	W305-Y613 AromaticContact CD2-CE1 3.92Å; W305-Y613 HydrophobicContact CD2-CE1 3.92Å; W305-Y613 AromaticContact CE2-CE1 3.51Å; W305-Y613 AromaticContact CE2-CZ 3.89Å; W305-Y613 HydrophobicContact CE3-CE1 4.13Å; W305-Y613 HydrophobicContact CH2-CD1 4.21Å; W305-Y613 AromaticContact CH2-CE1 3.61Å; W305-Y613 HydrophobicContact CH2-CE1 3.61Å; W305-Y613 HydrophobicContact CZ2-CD1 4.37Å; W305-Y613 AromaticContact CZ2-CE1 3.36Å; W305-Y613 HydrophobicContact CZ2-CE1 3.36Å; W305-Y613 AromaticContact CZ2-CZ 3.73Å; W305-Y613 WeakPolarHBondContact CZ2-OH 3.16Å; W305-Y613 HydrophobicContact CZ3-CD1 4.41Å; W305-Y613 AromaticContact CZ3-CE1 3.99Å; W305-Y613 HydrophobicContact CZ3-CE1 3.99Å; W305-Y613 PolarHBondContact NE1-OH 3.29Å; W305-Y613 VanDerWaalsContact NE1-OH 3.16Å; F609-Y613 HydrophobicContact CZ-CD2 4.3Å; F609-Y613 HydrophobicContact CZ-CG 4.42Å; F609-Y613 WeakPolarHBondContact O-CB 3.43Å; F609-Y613 PolarHBondContact O-N 3.27Å; Y613-H617 PolarHBondContact O-N 3.4Å
614	L	68.4	Low	70	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-71.9	-35	177.5	-78.7	120.6	0	0	0	112.8	W305 H309 V312 F313 P458 I459 S610 I612 H617 Q618	W305-L614 HydrophobicContact CZ3-CD2 3.98Å; W305-L614 HydrophobicContact CZ3-CG 4.17Å; H309-L614 HydrophobicContact CB-CD2 4Å; V312-L614 HydrophobicContact CG1-CD1 4.15Å; F313-L614 HydrophobicContact CE2-CB 4.35Å; F313-L614 HydrophobicContact CE2-CD1 3.87Å; F313-L614 HydrophobicContact CE2-CD2 4.32Å; F313-L614 HydrophobicContact CE2-CG 4.39Å; F313-L614 HydrophobicContact CZ-CD1 3.98Å; P458-L614 HydrophobicContact CB-CB 4.48Å; P458-L614 HydrophobicContact CG-CB 3.72Å; I459-L614 HydrophobicContact CD1-CB 3.98Å; I459-L614 HydrophobicContact CD1-CD2 3.26Å; I459-L614 HydrophobicContact CD1-CG 4.22Å; S610-L614 WeakPolarHBondContact O-CB 3.23Å; S610-L614 WeakPolarHBondContact O-CD1 3.46Å; S610-L614 PolarHBondContact O-N 3.1Å; I612-L614 VanDerWaalsContact C-N 3.34Å; I612-L614 PolarHBondContact O-N 3.07Å; L614-H617 PolarHBondContact O-N 3.46Å; L614-Q618 PolarHBondContact O-N 3.33Å; L614-Q618 VanDerWaalsContact O-N 3.12Å
615	F	67.4	Low	67.5	Low	126 Å²	126	72.9 Å²	72.9	55%	0.553	34%	0.344	S	S	*	.	H	α-helix	trans	-64.6	-44.7	174.4	-179.6	-95.6	0	0	0	112.4	P458 A611 I612 H617 Q618 N619	P458-F615 HydrophobicContact CB-CB 4.16Å; A611-F615 WeakPolarHBondContact O-CB 3.49Å; A611-F615 PolarHBondContact O-N 3.47Å; I612-F615 PolarHBondContact O-N 3.11Å; F615-H617 VanDerWaalsContact C-N 3.26Å; F615-H617 PolarHBondContact O-N 3Å; F615-Q618 PolarHBondContact O-N 3.18Å; F615-N619 WeakPolarHBondContact CE1-ND2 3.33Å; F615-N619 VanDerWaalsContact CE2-ND2 3.29Å; F615-N619 WeakPolarHBondContact CE2-ND2 3.1Å; F615-N619 WeakPolarHBondContact CZ-ND2 3.36Å; F615-N619 PolarHBondContact O-N 2.9Å
616	C	63.9	Low	65.5	Low	33 Å²	33	73.8 Å²	73.8	22%	0.223	35%	0.347	C	S	.	.	H	α-helix	trans	-62	-35.9	179.1	-164.8	0	0	0	0	111.8	I612	I612-C616 WeakPolarHBondContact O-CB 3.4Å; I612-C616 PolarHBondContact O-N 2.95Å
617	H	59.4	Low	63.2	Low	59 Å²	59	81.6 Å²	81.6	27%	0.273	38%	0.378	S	S	.	.	H	α-helix	trans	-73.5	-42.3	179	-171.9	-77.4	0	0	0	112.8	Y290 W305 K306 Y613 L614 F615 N619 R620	Y290-H617 PolarHBondContact OH-CE1 3Å; Y290-H617 PolarHBondContact OH-NE2 3.42Å; W305-H617 HydrophobicContact CH2-CB 4.12Å; W305-H617 AromaticContact CH2-CD2 3.7Å; W305-H617 AromaticContact CH2-CG 3.79Å; W305-H617 AromaticContact CZ2-CD2 3.62Å; W305-H617 AromaticContact CZ2-NE2 3.96Å; K306-H617 WeakPolarHBondContact CE-NE2 3.3Å; K306-H617 PolarHBondContact NZ-NE2 2.94Å; K306-H617 VanDerWaalsContact NZ-NE2 3.15Å; Y613-H617 PolarHBondContact O-N 3.4Å; L614-H617 PolarHBondContact O-N 3.46Å; F615-H617 VanDerWaalsContact C-N 3.26Å; F615-H617 PolarHBondContact O-N 3Å; H617-N619 VanDerWaalsContact C-N 3.32Å; H617-N619 PolarHBondContact O-N 3.07Å; H617-R620 PolarHBondContact O-N 2.85Å
618	Q	59	Low	60.9	Low	113 Å²	113	84.7 Å²	84.7	53%	0.528	39%	0.394	S	S	.	.	H	α-helix	trans	-63	-38	-177.3	-175.2	65.2	3.5	0	0	112.6	L614 F615 R620	L614-Q618 PolarHBondContact O-N 3.33Å; L614-Q618 VanDerWaalsContact O-N 3.12Å; F615-Q618 PolarHBondContact O-N 3.18Å; Q618-R620 VanDerWaalsContact C-N 3.31Å; Q618-R620 PolarHBondContact O-N 3.14Å
619	N	56.8	Low	58.9	Low	70 Å²	70	86.7 Å²	86.7	37%	0.374	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-4.1	-172.4	-79.2	-34.4	0	0	0	114.7	F615 H617 L621	F615-N619 WeakPolarHBondContact CE1-ND2 3.33Å; F615-N619 VanDerWaalsContact CE2-ND2 3.29Å; F615-N619 WeakPolarHBondContact CE2-ND2 3.1Å; F615-N619 WeakPolarHBondContact CZ-ND2 3.36Å; F615-N619 PolarHBondContact O-N 2.9Å; H617-N619 VanDerWaalsContact C-N 3.32Å; H617-N619 PolarHBondContact O-N 3.07Å; N619-L621 HydrophobicContact CB-CB 3.99Å; N619-L621 HydrophobicContact CB-CD1 3.9Å; N619-L621 HydrophobicContact CB-CG 4.07Å; N619-L621 WeakPolarHBondContact O-CG 3.13Å; N619-L621 PolarHBondContact O-N 2.95Å
620	R	56.6	Low	57.2	Low	237 Å²	237	89.3 Å²	89.3	89%	0.894	41%	0.412	S	S	*	.			trans	48.2	4.6	-167.4	-68.4	-173.1	-173.1	-170.9	1.6	114.3	H617 Q618 T622	H617-R620 PolarHBondContact O-N 2.85Å; Q618-R620 VanDerWaalsContact C-N 3.31Å; Q618-R620 PolarHBondContact O-N 3.14Å; R620-T622 PolarHBondContact O-N 2.89Å
621	L	42.9	Very low	55.1	Low	115 Å²	115	98.9 Å²	98.9	60%	0.602	45%	0.449	S	S	*	.			trans	-82	90	-171.6	-80.7	170	0	0	0	108.6	N619	N619-L621 HydrophobicContact CB-CB 3.99Å; N619-L621 HydrophobicContact CB-CD1 3.9Å; N619-L621 HydrophobicContact CB-CG 4.07Å; N619-L621 WeakPolarHBondContact O-CG 3.13Å; N619-L621 PolarHBondContact O-N 2.95Å
622	T	41	Very low	53	Low	90 Å²	90	104.9 Å²	104.9	55%	0.552	48%	0.475	S	S	*	.			trans	31.3	95.8	138.6	11.2	0	0	0	0	116.5	R620 I624	R620-T622 PolarHBondContact O-N 2.89Å; T622-I624 PolarHBondContact O-N 3.07Å
623	Y	50.3	Low	51.4	Low	92 Å²	92	109.6 Å²	109.6	36%	0.361	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	28.1	-15	134.7	-64.4	-81.6	0	0	0	123.4	L283 I287	L283-Y623 HydrophobicContact CD1-CD1 4.12Å; L283-Y623 HydrophobicContact CD1-CE1 3.62Å; L283-Y623 HydrophobicContact CD2-CD1 4.29Å; L283-Y623 HydrophobicContact CD2-CE1 4.31Å; L283-Y623 HydrophobicContact CG-CD1 4.37Å; L283-Y623 HydrophobicContact CG-CE1 3.91Å; I287-Y623 HydrophobicContact CD1-CD1 4.24Å; I287-Y623 HydrophobicContact CD1-CE1 3.53Å; I287-Y623 HydrophobicContact CG1-CD1 4.42Å; I287-Y623 HydrophobicContact CG1-CE1 3.34Å; I287-Y623 HydrophobicContact CG1-CE2 4.38Å; I287-Y623 WeakPolarHBondContact CG1-OH 3.03Å
624	I	46.3	Very low	50.4	Low	112 Å²	112	113 Å²	113	57%	0.574	51%	0.514	S	S	*	.	H	α-helix	trans	-77.1	-38.3	-175.9	-66	165.3	0	0	0	111.5	T622 I626 Y627 I628	T622-I624 PolarHBondContact O-N 3.07Å; I624-I626 PolarHBondContact O-N 3.38Å; I624-Y627 PolarHBondContact O-N 3.04Å; I624-I628 HydrophobicContact CG2-CD1 3.96Å; I624-I628 WeakPolarHBondContact O-CG1 3.38Å; I624-I628 PolarHBondContact O-N 3.19Å; I624-I628 VanDerWaalsContact O-N 3.16Å
625	Y	44.3	Very low	49.4	Very low	184 Å²	184	118.8 Å²	118.8	72%	0.722	54%	0.541	S	S	*	.	H	α-helix	trans	-72.2	-30.6	-178.1	-83.8	-81.4	0	0	0	113.9	I628 Y629	Y625-I628 PolarHBondContact O-N 2.96Å; Y625-Y629 PolarHBondContact O-N 3.5Å
626	I	51.4	Low	48.4	Very low	47 Å²	47	118.4 Å²	118.4	24%	0.241	54%	0.54	C	S	.	.	H	α-helix	trans	-68.3	-38.8	174.1	-66.7	173.7	0	0	0	110.2	L283 I624 I628 Y629 I630	L283-I626 HydrophobicContact CD1-CD1 3.91Å; I624-I626 PolarHBondContact O-N 3.38Å; I626-I628 PolarHBondContact O-N 2.77Å; I626-Y629 PolarHBondContact O-N 3.16Å; I626-I630 HydrophobicContact CG2-CD1 3.66Å; I626-I630 HydrophobicContact CG2-CG1 4.35Å; I626-I630 WeakPolarHBondContact O-CB 3.32Å; I626-I630 VanDerWaalsContact O-CG1 3.29Å; I626-I630 WeakPolarHBondContact O-CG1 3.05Å; I626-I630 PolarHBondContact O-N 3.1Å
627	Y	44	Very low	47.5	Very low	164 Å²	164	123.5 Å²	123.5	64%	0.643	56%	0.559	S	S	*	*	H	α-helix	trans	-63.6	-40.1	175.5	-105	-84.6	0	0	0	112.5	I624 Y631	I624-Y627 PolarHBondContact O-N 3.04Å; Y627-Y631 PolarHBondContact O-N 2.78Å
628	I	43.3	Very low	46.8	Very low	84 Å²	84	127.5 Å²	127.5	43%	0.431	58%	0.577	S	S	.	*	H	α-helix	trans	-68.8	-40.5	178.4	-65.3	167.8	0	0	0	111.1	I624 Y625 I626 Y631 M632	I624-I628 HydrophobicContact CG2-CD1 3.96Å; I624-I628 WeakPolarHBondContact O-CG1 3.38Å; I624-I628 PolarHBondContact O-N 3.19Å; I624-I628 VanDerWaalsContact O-N 3.16Å; Y625-I628 PolarHBondContact O-N 2.96Å; I626-I628 PolarHBondContact O-N 2.77Å; I628-Y631 PolarHBondContact O-N 3.18Å; I628-M632 HydrophobicContact CG2-SD 4.2Å; I628-M632 WeakPolarHBondContact O-CG 3.34Å; I628-M632 PolarHBondContact O-N 3.28Å
629	Y	46.9	Very low	46	Very low	119 Å²	119	128.5 Å²	128.5	47%	0.467	58%	0.58	S	S	.	*	H	α-helix	trans	-74.3	-32.6	-177.9	-148.7	-89.9	0	0	0	113	I612 Y625 I626 Y631 M632 M633	I612-Y629 HydrophobicContact CD1-CE2 4.17Å; Y625-Y629 PolarHBondContact O-N 3.5Å; I626-Y629 PolarHBondContact O-N 3.16Å; Y629-Y631 VanDerWaalsContact C-N 3.25Å; Y629-Y631 PolarHBondContact O-N 3.44Å; Y629-M632 PolarHBondContact O-N 3.24Å; Y629-M633 PolarHBondContact O-N 3.47Å
630	I	50.5	Low	45.2	Very low	90 Å²	90	132.6 Å²	132.6	46%	0.462	59%	0.594	S	S	.	*	H	α-helix	trans	-66.6	-28.3	172.1	-69.1	170.6	0	0	0	111.5	I626	I626-I630 HydrophobicContact CG2-CD1 3.66Å; I626-I630 HydrophobicContact CG2-CG1 4.35Å; I626-I630 WeakPolarHBondContact O-CB 3.32Å; I626-I630 VanDerWaalsContact O-CG1 3.29Å; I626-I630 WeakPolarHBondContact O-CG1 3.05Å; I626-I630 PolarHBondContact O-N 3.1Å
631	Y	37.8	Very low	44.3	Very low	202 Å²	202	124.6 Å²	124.6	79%	0.792	57%	0.571	S	S	*	*	H	α-helix	trans	-81.4	-17.5	174.7	-106.3	-87.3	0	0	0	113.9	Y627 I628 Y629	Y627-Y631 PolarHBondContact O-N 2.78Å; I628-Y631 PolarHBondContact O-N 3.18Å; Y629-Y631 VanDerWaalsContact C-N 3.25Å; Y629-Y631 PolarHBondContact O-N 3.44Å
632	M	36.8	Very low	44.5	Very low	152 Å²	152	125.4 Å²	125.4	75%	0.749	57%	0.569	S	S	*	*	H	α-helix	trans	-99	-15.5	-178.3	-76.5	-172.7	71.6	0	0	114.5	I628 Y629	I628-M632 HydrophobicContact CG2-SD 4.2Å; I628-M632 WeakPolarHBondContact O-CG 3.34Å; I628-M632 PolarHBondContact O-N 3.28Å; Y629-M632 PolarHBondContact O-N 3.24Å
633	M	40.9	Very low	44.8	Very low	169 Å²	169	128.6 Å²	128.6	83%	0.833	57%	0.57	S	S	*	*			trans	-97.1	0	179.1	-155.7	-178.5	-170.6	0	0	110.3	I531 Y629	I531-M633 HydrophobicContact CD1-CE 4.45Å; Y629-M633 PolarHBondContact O-N 3.47Å

Retrieved 633 of 633 residues in 1338.9 ms (Link to these results)

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