A0A087XC77_POEFO Loading...

Glyceronephosphate O-acyltransferase

AlphaFold DB , UniProt , Accession A0A087XC77, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 679 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	30	Very low	34.5	Very low	252 Å²	252	136.1 Å²	136.1	100%	1.241	73%	0.73	S	S	*	*				0	66.6	0	-72.8	-169.1	-178.1	0	0	111
2	A	27.8	Very low	35.8	Very low	106 Å²	106	129 Å²	129	88%	0.876	70%	0.697	S	S	*	*			trans	-154.2	78.7	172	0	0	0	0	0	108.9
3	S	30.3	Very low	36.4	Very low	113 Å²	113	126.5 Å²	126.5	79%	0.79	68%	0.682	S	S	*	*			trans	-151.9	24.5	167.8	89.5	0	0	0	0	113.1
4	K	27.1	Very low	36.7	Very low	220 Å²	220	127 Å²	127	96%	0.957	68%	0.683	S	S	*	*			trans	-92.2	10.5	-179.8	-95.2	-173.3	175.2	-177.5	0	114.7
5	A	32.1	Very low	38.1	Very low	94 Å²	94	126.7 Å²	126.7	78%	0.777	67%	0.673	S	S	*	*			trans	-123.9	49.1	-176.8	0	0	0	0	0	112.9
6	V	34.7	Very low	39.7	Very low	97 Å²	97	128.9 Å²	128.9	59%	0.588	68%	0.675	S	S	*	*	S	Bend	trans	-135	97.3	166.4	-173.7	0	0	0	0	106.7
7	Y	39.3	Very low	42.1	Very low	143 Å²	143	126.6 Å²	126.6	56%	0.561	66%	0.655	S	S	*	*			trans	69.7	83.2	-169.6	-65.9	-90	0	0	0	115.1	H9	Y7-H9 PolarHBondContact O-N 3.47Å
8	S	31.3	Very low	44.3	Very low	85 Å²	85	120.2 Å²	120.2	59%	0.594	62%	0.622	S	S	*	*			trans	-53.1	134.1	141.8	172.4	0	0	0	0	107	R10	S8-R10 PolarHBondContact O-N 3.39Å
9	H	39.9	Very low	46.6	Very low	148 Å²	148	119.6 Å²	119.6	69%	0.685	62%	0.62	S	S	*	*			trans	-59.7	73.8	161.9	-68.7	-77.1	0	0	0	108.1	Y7 D11	Y7-H9 PolarHBondContact O-N 3.47Å; H9-D11 PolarHBondContact O-N 3.19Å
10	R	43.2	Very low	49	Very low	201 Å²	201	116.5 Å²	116.5	76%	0.758	60%	0.602	S	S	*	*			trans	-72.2	116.2	170.3	-80.5	-173.1	175	-176.9	-1.3	104.4	S8 P12	S8-R10 PolarHBondContact O-N 3.39Å; R10-P12 WeakPolarHBondContact O-CD 3.36Å; R10-P12 VanDerWaalsContact O-N 3.12Å
11	D	44.2	Very low	51.3	Low	38 Å²	38	114.2 Å²	114.2	20%	0.203	59%	0.589	C	S	.	*			trans	-47.4	121.5	169.4	-174.3	-9.7	0	0	0	107.8	H9 L13 L14 K543	H9-D11 PolarHBondContact O-N 3.19Å; D11-L13 PolarHBondContact O-N 3.43Å; D11-L13 WeakPolarHBondContact OD1-CB 3.17Å; D11-L13 WeakPolarHBondContact OD1-CG 3.48Å; D11-L13 PolarHBondContact OD1-N 2.98Å; D11-L14 HydrophobicContact CB-CD1 3.74Å; D11-L14 HydrophobicContact CB-CG 3.91Å; D11-L14 WeakPolarHBondContact O-CB 3.33Å; D11-L14 PolarHBondContact O-N 3.43Å; D11-K543 IonicContact OD1-NZ 2.7Å; D11-K543 PolarHBondContact OD1-NZ 3.29Å; D11-K543 IonicContact OD2-NZ 3.74Å; D11-K543 PolarHBondContact OD2-NZ 2.69Å
12	P	49.1	Very low	54.5	Low	51 Å²	51	104 Å²	104	33%	0.331	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-53.6	-22	-180	1.1	-9	0	0	0	112.8	R10 L14	R10-P12 WeakPolarHBondContact O-CD 3.36Å; R10-P12 VanDerWaalsContact O-N 3.12Å; P12-L14 VanDerWaalsContact C-N 3.31Å; P12-L14 PolarHBondContact O-N 3.16Å
13	L	44.1	Very low	57.7	Low	97 Å²	97	99.2 Å²	99.2	51%	0.508	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-70.3	-17.3	174.6	-62.5	174.3	0	0	0	114.8	D11 R407 K543	D11-L13 PolarHBondContact O-N 3.43Å; D11-L13 WeakPolarHBondContact OD1-CB 3.17Å; D11-L13 WeakPolarHBondContact OD1-CG 3.48Å; D11-L13 PolarHBondContact OD1-N 2.98Å; L13-R407 VanDerWaalsContact CD2-O 3.3Å; L13-R407 WeakPolarHBondContact CD2-O 3.17Å; L13-K543 VanDerWaalsContact CD1-NZ 3.34Å
14	L	40.8	Very low	60.9	Low	133 Å²	133	93.8 Å²	93.8	70%	0.696	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-86.6	-4	-175.2	-70.3	169.7	0	0	0	114.1	D11 P12 K16	D11-L14 HydrophobicContact CB-CD1 3.74Å; D11-L14 HydrophobicContact CB-CG 3.91Å; D11-L14 WeakPolarHBondContact O-CB 3.33Å; D11-L14 PolarHBondContact O-N 3.43Å; P12-L14 VanDerWaalsContact C-N 3.31Å; P12-L14 PolarHBondContact O-N 3.16Å; L14-K16 PolarHBondContact O-N 3.42Å
15	K	57.1	Low	64.1	Low	122 Å²	122	88.4 Å²	88.4	53%	0.53	44%	0.439	S	S	.	.			trans	-76.2	105.8	171.4	-82.8	-178.6	178.4	175.7	0	108.6	R17 E364	K15-R17 PolarHBondContact O-N 3.05Å; K15-E364 IonicContact NZ-OE2 3.16Å; K15-E364 PolarHBondContact NZ-OE2 3.07Å
16	K	64.8	Low	66.9	Low	163 Å²	163	88.9 Å²	88.9	71%	0.709	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-54.3	125.4	160.3	-173.1	-169.2	176.2	-148.9	0	106.9	L14 E127	L14-K16 PolarHBondContact O-N 3.42Å; K16-E127 IonicContact NZ-OE1 2.88Å
17	R	79.3	Confident	69.6	Low	89 Å²	89	85 Å²	85	34%	0.336	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-95.8	143.3	179	-61.5	-169.2	175.2	142	-6.3	109.4	K15 G410 A411 F412	K15-R17 PolarHBondContact O-N 3.05Å; R17-G410 PolarHBondContact NH2-O 2.96Å; R17-A411 PolarHBondContact NH1-O 3.04Å; R17-A411 VanDerWaalsContact NH1-O 3.14Å; R17-A411 PolarHBondContact NH2-O 2.95Å; R17-F412 HydrophobicContact CB-CE1 4.44Å; R17-F412 HydrophobicContact CB-CE2 4.34Å; R17-F412 HydrophobicContact CB-CZ 3.93Å; R17-F412 VanDerWaalsContact CD-CZ 3.48Å; R17-F412 HydrophobicContact CG-CE2 4.45Å; R17-F412 HydrophobicContact CG-CZ 4.27Å; R17-F412 VanDerWaalsContact NH1-CA 3.34Å; R17-F412 VanDerWaalsContact NH2-CA 3.34Å
18	D	83.1	Confident	72.3	Confident	11 Å²	11	82.9 Å²	82.9	6%	0.059	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-62.5	147.4	178.8	-49.3	28.6	0	0	0	110.7	N125 E127 G128 R131 Y312	D18-N125 HydrophobicContact CB-CB 3.76Å; D18-N125 PolarHBondContact OD2-ND2 2.92Å; D18-E127 HydrophobicContact CB-CB 4.08Å; D18-E127 HydrophobicContact CB-CG 4.4Å; D18-G128 PolarHBondContact OD2-N 2.84Å; D18-R131 IonicContact OD1-NH2 2.87Å; D18-R131 IonicContact OD2-CZ 3.07Å; D18-R131 IonicContact OD2-NH2 3.83Å; D18-R131 PolarHBondContact OD2-NH2 3Å; D18-Y312 HydrophobicContact CB-CE2 3.93Å; D18-Y312 VanDerWaalsContact CG-OH 3.24Å; D18-Y312 PolarHBondContact OD1-OH 2.93Å; D18-Y312 PolarHBondContact OD2-OH 2.83Å
19	D	87.8	Confident	75.2	Confident	109 Å²	109	86 Å²	86	58%	0.583	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-74.7	153.1	170.6	-66.6	-43.9	0	0	0	111.1	N125 E126	D19-N125 VanDerWaalsContact O-CA 3.3Å; D19-N125 WeakPolarHBondContact O-CA 3.28Å; D19-E126 PolarHBondContact O-N 2.75Å
20	F	94.4	Very high	77.7	Confident	57 Å²	57	81.2 Å²	81.2	25%	0.25	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	139.2	-179.6	-74.3	-83.8	0	0	0	112.3	C123 V124 N125 H310 Y312 V367 F412	F20-C123 HydrophobicContact CB-CB 4.02Å; F20-C123 HydrophobicContact CD1-CB 3.97Å; F20-C123 HydrophobicContact CG-CB 4.22Å; F20-V124 WeakPolarHBondContact CA-O 3.32Å; F20-N125 HydrophobicContact CD1-CB 4.18Å; F20-N125 HydrophobicContact CE1-CB 4Å; F20-H310 HydrophobicContact CE1-CB 4.36Å; F20-Y312 HydrophobicContact CE1-CD2 4.34Å; F20-Y312 AromaticContact CZ-CD2 3.89Å; F20-Y312 HydrophobicContact CZ-CD2 3.89Å; F20-V367 HydrophobicContact CE2-CG2 4.16Å; F20-V367 HydrophobicContact CZ-CG2 3.64Å; F20-F412 HydrophobicContact CE2-CE1 4.12Å; F20-F412 HydrophobicContact CE2-CE2 4.22Å; F20-F412 AromaticContact CE2-CZ 3.49Å; F20-F412 HydrophobicContact CE2-CZ 3.49Å; F20-F412 VanDerWaalsContact CE2-CZ 3.49Å; F20-F412 HydrophobicContact CZ-CE1 4.14Å; F20-F412 AromaticContact CZ-CZ 3.97Å; F20-F412 HydrophobicContact CZ-CZ 3.97Å
21	E	95.9	Very high	80.2	Confident	70 Å²	70	74.9 Å²	74.9	33%	0.327	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	132.5	171.9	-173.4	-171.8	-172.3	0	0	110.5	I23 C123 V124 E126 Y163	E21-I23 PolarHBondContact O-N 3.31Å; E21-C123 CarbonylContact O-C 3.56Å; E21-C123 VanDerWaalsContact O-CA 3.24Å; E21-C123 WeakPolarHBondContact O-CA 3.13Å; E21-V124 PolarHBondContact N-O 3.25Å; E21-V124 PolarHBondContact O-N 2.91Å; E21-E126 HydrophobicContact CB-CG 3.88Å; E21-Y163 PolarHBondContact OE2-OH 3.47Å
22	D	97.2	Very high	82.6	Confident	37 Å²	37	73.8 Å²	73.8	20%	0.198	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	98.4	168.9	179.4	19.7	0	0	0	110.9	L24 E25 R28 S121 I122	D22-L24 PolarHBondContact O-N 3.2Å; D22-L24 VanDerWaalsContact O-N 3.12Å; D22-L24 WeakPolarHBondContact OD1-CB 3.48Å; D22-L24 PolarHBondContact OD1-N 2.97Å; D22-E25 HydrophobicContact CB-CB 4.36Å; D22-E25 WeakPolarHBondContact O-CB 3.2Å; D22-E25 PolarHBondContact O-N 3.34Å; D22-E25 VanDerWaalsContact O-N 3.08Å; D22-R28 IonicContact OD2-NH1 2.74Å; D22-S121 WeakPolarHBondContact OD1-CA 3.48Å; D22-S121 WeakPolarHBondContact OD1-CB 3.4Å; D22-S121 WeakPolarHBondContact OD2-CB 3.28Å; D22-I122 WeakPolarHBondContact CA-O 3.48Å; D22-I122 PolarHBondContact OD1-N 3.34Å
23	I	96.8	Very high	84.8	Confident	5 Å²	5	76 Å²	76	3%	0.026	36%	0.364	C	S	.	.	H	α-helix	trans	-62.9	-24	-179.9	69.7	177.5	0	0	0	112.2	E21 E25 R27 I122 V124 Y158 I159 T162 Y163	E21-I23 PolarHBondContact O-N 3.31Å; I23-E25 VanDerWaalsContact C-N 3.33Å; I23-R27 VanDerWaalsContact O-CG 3.28Å; I23-R27 WeakPolarHBondContact O-CG 3.03Å; I23-I122 HydrophobicContact CD1-CB 4.21Å; I23-I122 HydrophobicContact CD1-CG2 3.78Å; I23-I122 HydrophobicContact CG1-CB 3.89Å; I23-I122 HydrophobicContact CG1-CG2 3.97Å; I23-I122 PolarHBondContact N-O 3.2Å; I23-V124 HydrophobicContact CD1-CG2 4.21Å; I23-V124 HydrophobicContact CG2-CB 4.36Å; I23-V124 HydrophobicContact CG2-CG2 3.94Å; I23-Y158 HydrophobicContact CD1-CD1 4.11Å; I23-Y158 HydrophobicContact CD1-CE1 3.8Å; I23-I159 HydrophobicContact CD1-CG1 3.95Å; I23-T162 HydrophobicContact CB-CG2 4.42Å; I23-Y163 HydrophobicContact CG2-CE2 3.96Å; I23-Y163 VanDerWaalsContact CG2-OH 3.27Å; I23-Y163 WeakPolarHBondContact CG2-OH 3.47Å
24	L	96.3	Very high	87.2	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-76.5	-19.8	179.2	-65.9	-173.1	0	0	0	113	D22 R27 R28 F115 K116 F119 I122	D22-L24 PolarHBondContact O-N 3.2Å; D22-L24 VanDerWaalsContact O-N 3.12Å; D22-L24 WeakPolarHBondContact OD1-CB 3.48Å; D22-L24 PolarHBondContact OD1-N 2.97Å; L24-R27 PolarHBondContact O-N 3.38Å; L24-R28 VanDerWaalsContact CB-NH1 3.29Å; L24-R28 WeakPolarHBondContact O-CG 3.38Å; L24-R28 PolarHBondContact O-N 2.93Å; L24-R28 PolarHBondContact O-NH1 3.45Å; L24-F115 HydrophobicContact CD1-CB 4.29Å; L24-F115 HydrophobicContact CD2-CB 4Å; L24-K116 HydrophobicContact CD2-CG 4.2Å; L24-F119 HydrophobicContact CD1-CB 4.25Å; L24-I122 HydrophobicContact CD1-CB 4.33Å; L24-I122 HydrophobicContact CD1-CD1 3.87Å; L24-I122 HydrophobicContact CD1-CG1 3.69Å; L24-I122 HydrophobicContact CD2-CD1 4.08Å; L24-I122 HydrophobicContact CG-CB 4.04Å; L24-I122 HydrophobicContact CG-CD1 3.98Å; L24-I122 HydrophobicContact CG-CG1 3.89Å
25	E	94.8	Very high	89.8	Confident	106 Å²	106	75 Å²	75	50%	0.495	34%	0.344	S	S	.	.	H	α-helix	trans	-60.1	-50	179.6	-165.5	-168.1	153	0	0	110.7	D22 I23 R28 K29	D22-E25 HydrophobicContact CB-CB 4.36Å; D22-E25 WeakPolarHBondContact O-CB 3.2Å; D22-E25 PolarHBondContact O-N 3.34Å; D22-E25 VanDerWaalsContact O-N 3.08Å; I23-E25 VanDerWaalsContact C-N 3.33Å; E25-R28 PolarHBondContact O-N 2.95Å; E25-K29 IonicContact OE1-NZ 2.69Å; E25-K29 PolarHBondContact OE1-NZ 3.43Å
26	E	90.2	Very high	91.7	Very high	104 Å²	104	69.3 Å²	69.3	49%	0.486	32%	0.32	S	S	.	.	H	α-helix	trans	-68.3	-36.9	176.8	-158.8	-147.8	160.9	0	0	111.6	R28 K29 T30	E26-R28 VanDerWaalsContact C-N 3.26Å; E26-R28 PolarHBondContact O-N 3.39Å; E26-K29 PolarHBondContact O-N 3.07Å; E26-T30 PolarHBondContact O-N 3.41Å; E26-T30 PolarHBondContact O-OG1 3.3Å
27	R	92.8	Very high	93.1	Very high	15 Å²	15	66.3 Å²	66.3	6%	0.057	31%	0.312	C	S	.	.	H	α-helix	trans	-65.7	-26.1	178.1	-63.7	-56	88.8	-152.1	2.2	113.4	I23 L24 K29 T30 Y35 K116	I23-R27 VanDerWaalsContact O-CG 3.28Å; I23-R27 WeakPolarHBondContact O-CG 3.03Å; L24-R27 PolarHBondContact O-N 3.38Å; R27-K29 VanDerWaalsContact C-N 3.32Å; R27-T30 PolarHBondContact NH1-OG1 3.48Å; R27-T30 PolarHBondContact NH2-OG1 3.32Å; R27-Y35 VanDerWaalsContact NH1-CB 3.28Å; R27-K116 HydrophobicContact CB-CD 4.15Å; R27-K116 WeakPolarHBondContact O-CD 3.32Å; R27-K116 PolarHBondContact O-NZ 3.19Å
28	R	94.6	Very high	93.8	Very high	99 Å²	99	65.2 Å²	65.2	37%	0.374	31%	0.307	S	S	.	.	H	α-helix	trans	-74.3	-24.4	173.2	-73.4	177.9	-165.8	102.5	0.8	112.7	D22 L24 E25 E26 K116 F119 R120	D22-R28 IonicContact OD2-NH1 2.74Å; L24-R28 VanDerWaalsContact CB-NH1 3.29Å; L24-R28 WeakPolarHBondContact O-CG 3.38Å; L24-R28 PolarHBondContact O-N 2.93Å; L24-R28 PolarHBondContact O-NH1 3.45Å; E25-R28 PolarHBondContact O-N 2.95Å; E26-R28 VanDerWaalsContact C-N 3.26Å; E26-R28 PolarHBondContact O-N 3.39Å; R28-K116 HydrophobicContact CG-CD 3.79Å; R28-K116 HydrophobicContact CG-CG 4.04Å; R28-F119 PolarHBondContact NH2-O 3.12Å; R28-R120 VanDerWaalsContact CZ-O 3.27Å; R28-R120 PolarHBondContact NH1-O 3.29Å; R28-R120 PolarHBondContact NH2-O 3.18Å
29	K	93.3	Very high	94.3	Very high	151 Å²	151	69.5 Å²	69.5	66%	0.657	34%	0.337	S	S	*	.	H	α-helix	trans	-91.3	-7.6	-179.8	-61	172.5	-169.5	169.1	0	113.1	E25 E26 R27	E25-K29 IonicContact OE1-NZ 2.69Å; E25-K29 PolarHBondContact OE1-NZ 3.43Å; E26-K29 PolarHBondContact O-N 3.07Å; R27-K29 VanDerWaalsContact C-N 3.32Å
30	T	91.9	Very high	94.5	Very high	48 Å²	48	66.2 Å²	66.2	29%	0.294	32%	0.316	S	S	.	.	S	Bend	trans	-125.1	158.1	-173.3	54.8	0	0	0	0	112.7	E26 R27	E26-T30 PolarHBondContact O-N 3.41Å; E26-T30 PolarHBondContact O-OG1 3.3Å; R27-T30 PolarHBondContact NH1-OG1 3.48Å; R27-T30 PolarHBondContact NH2-OG1 3.32Å
31	S	94.9	Very high	94.2	Very high	67 Å²	67	68 Å²	68	47%	0.469	33%	0.333	S	S	.	.			trans	-71.6	129.2	178.3	169.1	0	0	0	0	111.4	L33 R34 Y35	S31-L33 PolarHBondContact O-N 3.36Å; S31-L33 PolarHBondContact OG-N 3.32Å; S31-R34 PolarHBondContact O-N 3.38Å; S31-R34 PolarHBondContact OG-N 2.97Å; S31-Y35 WeakPolarHBondContact O-CB 3.5Å; S31-Y35 PolarHBondContact O-N 3.44Å
32	D	95.5	Very high	93.8	Very high	16 Å²	16	66 Å²	66	9%	0.086	33%	0.325	C	S	.	.	H	α-helix	trans	-57.2	-37	174.6	-66.7	-43.5	0	0	0	112	Y35 A36 F109 S112 K113 K116	D32-Y35 WeakPolarHBondContact O-CB 3.3Å; D32-A36 WeakPolarHBondContact O-CB 3.41Å; D32-A36 PolarHBondContact O-N 3.43Å; D32-F109 HydrophobicContact CB-CD2 3.68Å; D32-F109 HydrophobicContact CB-CE2 3.73Å; D32-S112 WeakPolarHBondContact OD1-CB 3.17Å; D32-S112 PolarHBondContact OD1-OG 3.46Å; D32-K113 WeakPolarHBondContact OD2-CG 3.44Å; D32-K113 IonicContact OD2-NZ 3.89Å; D32-K113 PolarHBondContact OD2-NZ 3.14Å; D32-K116 WeakPolarHBondContact OD1-CE 3.49Å; D32-K116 IonicContact OD1-NZ 2.65Å; D32-K116 PolarHBondContact OD1-NZ 3.36Å; D32-K116 IonicContact OD2-NZ 3.17Å; D32-K116 PolarHBondContact OD2-NZ 3.44Å; D32-K116 VanDerWaalsContact OD2-NZ 3.17Å
33	L	95.4	Very high	92.9	Very high	97 Å²	97	65.5 Å²	65.5	51%	0.508	33%	0.326	S	S	.	.	H	α-helix	trans	-71	-42.5	179.8	-174.8	65	0	0	0	110.8	S31 Y35 A36 L37 F109	S31-L33 PolarHBondContact O-N 3.36Å; S31-L33 PolarHBondContact OG-N 3.32Å; L33-Y35 VanDerWaalsContact C-N 3.31Å; L33-Y35 PolarHBondContact O-N 3.45Å; L33-A36 PolarHBondContact O-N 3.3Å; L33-L37 HydrophobicContact CD1-CD1 3.84Å; L33-L37 HydrophobicContact CD1-CG 4.16Å; L33-L37 HydrophobicContact CG-CD1 3.96Å; L33-L37 HydrophobicContact CG-CG 4.49Å; L33-L37 WeakPolarHBondContact O-CB 3.46Å; L33-L37 WeakPolarHBondContact O-CG 3.43Å; L33-L37 PolarHBondContact O-N 2.65Å; L33-F109 HydrophobicContact CB-CD2 4.46Å; L33-F109 HydrophobicContact CB-CE2 4.22Å
34	R	94.5	Very high	92.3	Very high	204 Å²	204	68.5 Å²	68.5	77%	0.77	34%	0.342	S	S	*	.	H	α-helix	trans	-63.1	-40.4	175.7	-176.1	177.6	176.6	172.9	-1.1	111.2	S31 R38	S31-R34 PolarHBondContact O-N 3.38Å; S31-R34 PolarHBondContact OG-N 2.97Å; R34-R38 PolarHBondContact O-N 3.38Å
35	Y	95.5	Very high	91.6	Very high	4 Å²	4	71.3 Å²	71.3	2%	0.016	35%	0.353	C	S	.	.	H	α-helix	trans	-59.5	-52.1	173.7	172.5	-116.7	0	0	0	111.8	R27 S31 D32 L33 L37 R38 A108 Y158 Y161 T162	R27-Y35 VanDerWaalsContact NH1-CB 3.28Å; S31-Y35 WeakPolarHBondContact O-CB 3.5Å; S31-Y35 PolarHBondContact O-N 3.44Å; D32-Y35 WeakPolarHBondContact O-CB 3.3Å; L33-Y35 VanDerWaalsContact C-N 3.31Å; L33-Y35 PolarHBondContact O-N 3.45Å; Y35-L37 VanDerWaalsContact C-N 3.3Å; Y35-L37 PolarHBondContact O-N 2.94Å; Y35-R38 WeakPolarHBondContact O-CB 3.34Å; Y35-R38 WeakPolarHBondContact O-CD 3.45Å; Y35-R38 WeakPolarHBondContact O-CG 3.4Å; Y35-R38 PolarHBondContact O-N 2.74Å; Y35-A108 HydrophobicContact CE1-CB 4.05Å; Y35-Y158 AromaticContact CE1-CE2 3.69Å; Y35-Y158 HydrophobicContact CE1-CE2 3.69Å; Y35-Y161 HydrophobicContact CE1-CD1 4.34Å; Y35-Y161 HydrophobicContact CE1-CE1 4.35Å; Y35-Y161 HydrophobicContact CE2-CD1 4.24Å; Y35-Y161 HydrophobicContact CE2-CE1 4.23Å; Y35-Y161 AromaticContact CZ-CD1 3.78Å; Y35-Y161 WeakPolarHBondContact OH-CD1 3.47Å; Y35-T162 PolarHBondContact OH-OG1 3.37Å
36	A	96.2	Very high	90.7	Very high	3 Å²	3	72.5 Å²	72.5	3%	0.025	36%	0.356	C	S	.	.	H	α-helix	trans	-65.7	-31.1	-178.5	0	0	0	0	0	113.2	D32 L33 R105 A108 F109 Y161	D32-A36 WeakPolarHBondContact O-CB 3.41Å; D32-A36 PolarHBondContact O-N 3.43Å; L33-A36 PolarHBondContact O-N 3.3Å; A36-R105 WeakPolarHBondContact CB-O 3.44Å; A36-R105 WeakPolarHBondContact O-CB 3.29Å; A36-R105 VanDerWaalsContact O-CD 3.28Å; A36-R105 WeakPolarHBondContact O-CD 3.26Å; A36-R105 WeakPolarHBondContact O-CG 3.45Å; A36-R105 PolarHBondContact O-NE 3.22Å; A36-A108 HydrophobicContact CB-CB 4.3Å; A36-F109 HydrophobicContact CB-CB 3.7Å; A36-Y161 PolarHBondContact O-OH 3.04Å
37	L	95.5	Very high	89.7	Confident	101 Å²	101	71.2 Å²	71.2	53%	0.529	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	7.4	-178.7	-65.7	-178	0	0	0	113.8	L33 Y35	L33-L37 HydrophobicContact CD1-CD1 3.84Å; L33-L37 HydrophobicContact CD1-CG 4.16Å; L33-L37 HydrophobicContact CG-CD1 3.96Å; L33-L37 HydrophobicContact CG-CG 4.49Å; L33-L37 WeakPolarHBondContact O-CB 3.46Å; L33-L37 WeakPolarHBondContact O-CG 3.43Å; L33-L37 PolarHBondContact O-N 2.65Å; Y35-L37 VanDerWaalsContact C-N 3.3Å; Y35-L37 PolarHBondContact O-N 2.94Å
38	R	93.4	Very high	89	Confident	66 Å²	66	72 Å²	72	25%	0.249	38%	0.376	C	S	.	.	S	Bend	trans	-61.9	162	-178.3	73.5	-173.1	-177.8	157.7	6	112.5	R34 Y35 Y40 R105 Y161 T162	R34-R38 PolarHBondContact O-N 3.38Å; Y35-R38 WeakPolarHBondContact O-CB 3.34Å; Y35-R38 WeakPolarHBondContact O-CD 3.45Å; Y35-R38 WeakPolarHBondContact O-CG 3.4Å; Y35-R38 PolarHBondContact O-N 2.74Å; R38-Y40 PolarHBondContact O-N 3.41Å; R38-R105 PolarHBondContact O-NH2 2.89Å; R38-R105 VanDerWaalsContact O-NH2 3.16Å; R38-Y161 PolarHBondContact NH2-O 3.21Å; R38-T162 VanDerWaalsContact CZ-O 3.32Å; R38-T162 PolarHBondContact NH1-O 2.71Å; R38-T162 PolarHBondContact NH2-O 3.08Å
39	C	92.8	Very high	88	Confident	100 Å²	100	72.4 Å²	72.4	68%	0.676	39%	0.39	S	S	*	.			trans	-60.4	132.7	169.1	-161.2	0	0	0	0	108.7
40	Y	92.1	Very high	87	Confident	40 Å²	40	70.6 Å²	70.6	16%	0.157	39%	0.394	C	S	.	.			trans	-130.1	106.3	-179.4	175.6	-108.9	0	0	0	107.2	R38 P42 L101 Y161 D164 L165 L167	R38-Y40 PolarHBondContact O-N 3.41Å; Y40-P42 HydrophobicContact CD1-CG 4.48Å; Y40-P42 HydrophobicContact CE1-CG 3.83Å; Y40-P42 HydrophobicContact CE2-CB 4.25Å; Y40-P42 HydrophobicContact CE2-CG 4.2Å; Y40-L101 HydrophobicContact CD1-CD1 3.69Å; Y40-L101 HydrophobicContact CE1-CD1 4.29Å; Y40-L101 HydrophobicContact CG-CD1 4.35Å; Y40-Y161 AromaticContact CD2-CD2 3.88Å; Y40-Y161 HydrophobicContact CD2-CD2 3.88Å; Y40-Y161 AromaticContact CD2-CE2 3.84Å; Y40-Y161 HydrophobicContact CD2-CE2 3.84Å; Y40-Y161 AromaticContact CE2-CD2 3.94Å; Y40-Y161 HydrophobicContact CE2-CD2 3.94Å; Y40-Y161 HydrophobicContact CE2-CE2 4.35Å; Y40-Y161 HydrophobicContact CG-CD2 4.43Å; Y40-Y161 HydrophobicContact CG-CE2 4.02Å; Y40-D164 WeakPolarHBondContact CA-OD1 3.39Å; Y40-D164 WeakPolarHBondContact CD2-OD1 3.48Å; Y40-L165 PolarHBondContact OH-O 3.36Å; Y40-L167 PolarHBondContact OH-N 3.35Å; Y40-L167 VanDerWaalsContact OH-N 3.1Å
41	T	87.9	Confident	86.5	Confident	96 Å²	96	69.2 Å²	69.2	59%	0.589	39%	0.386	S	S	*	.			trans	-138.5	64.5	-171	44.2	0	0	0	0	108.9	D164	T41-D164 PolarHBondContact N-OD1 3.23Å; T41-D164 PolarHBondContact OG1-OD2 2.92Å
42	P	87.7	Confident	86	Confident	27 Å²	27	69.7 Å²	69.7	18%	0.175	39%	0.386	C	S	.	.			trans	-64.8	146.7	-170.5	28.8	-37.5	0	0	0	111.7	Y40 L44 D164 A166	Y40-P42 HydrophobicContact CD1-CG 4.48Å; Y40-P42 HydrophobicContact CE1-CG 3.83Å; Y40-P42 HydrophobicContact CE2-CB 4.25Å; Y40-P42 HydrophobicContact CE2-CG 4.2Å; P42-L44 HydrophobicContact CG-CD2 4.38Å; P42-L44 PolarHBondContact O-N 3.46Å; P42-D164 VanDerWaalsContact CA-O 3.28Å; P42-D164 WeakPolarHBondContact CA-O 3.46Å; P42-A166 HydrophobicContact CB-CB 4.18Å; P42-A166 VanDerWaalsContact CB-N 3.33Å; P42-A166 HydrophobicContact CG-CB 4.5Å
43	A	79.3	Confident	85.5	Confident	26 Å²	26	71 Å²	71	22%	0.215	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-62.9	132.4	167.6	0	0	0	0	0	109.8	I136 Q137	A43-I136 WeakPolarHBondContact O-CG2 3.22Å; A43-Q137 HydrophobicContact CB-CG 4.03Å
44	L	82.8	Confident	85.2	Confident	68 Å²	68	70.2 Å²	70.2	36%	0.356	40%	0.395	S	S	.	.			trans	-112.5	165.9	179.9	-58.9	178.6	0	0	0	110.7	P42 L48 A166	P42-L44 HydrophobicContact CG-CD2 4.38Å; P42-L44 PolarHBondContact O-N 3.46Å; L44-L48 HydrophobicContact CD1-CD2 4.1Å; L44-A166 HydrophobicContact CD2-CB 4.11Å
45	Y	81.7	Confident	85	Confident	59 Å²	59	64 Å²	64	23%	0.231	38%	0.377	C	S	.	.			trans	-55.3	134.7	175.7	174.7	-123.1	0	0	0	112.3	G47 L48 I136 E138 G219	Y45-G47 PolarHBondContact O-N 3Å; Y45-L48 VanDerWaalsContact O-CB 3.26Å; Y45-L48 WeakPolarHBondContact O-CB 3.47Å; Y45-L48 PolarHBondContact O-N 3.5Å; Y45-I136 VanDerWaalsContact CA-O 3.29Å; Y45-I136 WeakPolarHBondContact CA-O 3.27Å; Y45-E138 VanDerWaalsContact CE2-O 3.25Å; Y45-E138 WeakPolarHBondContact CE2-O 3.37Å; Y45-G219 WeakPolarHBondContact CB-O 3.33Å
46	K	76.9	Confident	84.8	Confident	131 Å²	131	64 Å²	64	57%	0.57	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	130.3	177.1	-76.7	170.7	-174.6	171	0	110.4	L48 Q137	K46-L48 VanDerWaalsContact C-N 3.35Å; K46-Q137 VanDerWaalsContact CB-O 3.3Å; K46-Q137 WeakPolarHBondContact CB-O 3.41Å; K46-Q137 WeakPolarHBondContact CD-O 3.42Å; K46-Q137 WeakPolarHBondContact CG-O 3.28Å; K46-Q137 PolarHBondContact N-O 2.99Å
47	G	68.6	Low	84.7	Confident	77 Å²	77	65.4 Å²	65.4	79%	0.794	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	11.6	-178.5	0	0	0	0	0	114.2	Y45 T49	Y45-G47 PolarHBondContact O-N 3Å; G47-T49 PolarHBondContact O-N 3.21Å
48	L	78.3	Confident	84.6	Confident	32 Å²	32	62.8 Å²	62.8	17%	0.168	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-60.9	128.6	173.3	-170.8	118.4	0	0	0	111.4	L44 Y45 K46 N218 G219 F220	L44-L48 HydrophobicContact CD1-CD2 4.1Å; Y45-L48 VanDerWaalsContact O-CB 3.26Å; Y45-L48 WeakPolarHBondContact O-CB 3.47Å; Y45-L48 PolarHBondContact O-N 3.5Å; K46-L48 VanDerWaalsContact C-N 3.35Å; L48-N218 WeakPolarHBondContact CD1-O 3.42Å; L48-G219 WeakPolarHBondContact CD1-O 3.37Å; L48-F220 HydrophobicContact CD1-CB 4.05Å; L48-F220 HydrophobicContact CD1-CD2 4.5Å; L48-F220 VanDerWaalsContact CD1-N 3.33Å; L48-F220 HydrophobicContact CD2-CD2 4.27Å
49	T	72.9	Confident	84.7	Confident	108 Å²	108	63.2 Å²	63.2	66%	0.663	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-91.9	118.3	165	-53.7	0	0	0	0	107.8	G47 C51	G47-T49 PolarHBondContact O-N 3.21Å; T49-C51 PolarHBondContact O-N 2.98Å
50	P	74.3	Confident	84.9	Confident	113 Å²	113	58.5 Å²	58.5	73%	0.734	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-53.5	127	178.1	-25.5	33.9	0	0	0	110.7
51	C	80.7	Confident	85.1	Confident	19 Å²	19	57.9 Å²	57.9	13%	0.128	35%	0.346	C	S	.	.			trans	-129.7	141	177.8	64.3	0	0	0	0	110.1	T49 D55 M59 N218	T49-C51 PolarHBondContact O-N 2.98Å; C51-D55 HydrophobicContact CB-CB 4.16Å; C51-M59 HydrophobicContact CB-CE 3.84Å; C51-N218 PolarHBondContact SG-ND2 3.25Å; C51-N218 PolarHBondContact SG-OD1 2.88Å
52	T	85.1	Confident	85.4	Confident	76 Å²	76	60.1 Å²	60.1	47%	0.466	35%	0.35	S	S	.	.			trans	-77.1	164.6	168.9	72.3	0	0	0	0	110.4	S54 D55 L56	T52-S54 PolarHBondContact O-N 3.1Å; T52-S54 PolarHBondContact OG1-N 3.34Å; T52-D55 WeakPolarHBondContact CB-OD2 3.32Å; T52-D55 WeakPolarHBondContact CG2-OD2 3.44Å; T52-D55 PolarHBondContact N-OD2 3.21Å; T52-D55 WeakPolarHBondContact O-CB 3.45Å; T52-D55 PolarHBondContact O-N 3.04Å; T52-D55 VanDerWaalsContact O-N 3.12Å; T52-D55 PolarHBondContact OG1-N 2.71Å; T52-D55 VanDerWaalsContact OG1-N 3.13Å; T52-D55 PolarHBondContact OG1-OD1 3.42Å; T52-D55 PolarHBondContact OG1-OD2 3.08Å; T52-L56 PolarHBondContact O-N 3.12Å
53	I	84.7	Confident	85.8	Confident	45 Å²	45	59.5 Å²	59.5	23%	0.231	35%	0.346	C	S	.	.	H	α-helix	trans	-62.1	-33.4	173.7	-59.4	178	0	0	0	110.8	D55 L56 K57 L99	I53-D55 VanDerWaalsContact C-N 3.34Å; I53-L56 PolarHBondContact O-N 2.82Å; I53-K57 WeakPolarHBondContact O-CG 3.35Å; I53-K57 PolarHBondContact O-N 2.49Å; I53-L99 HydrophobicContact CD1-CB 4.47Å
54	S	88.3	Confident	86.6	Confident	79 Å²	79	63.6 Å²	63.6	55%	0.552	37%	0.365	S	S	*	.	H	α-helix	trans	-62.8	-44	174.1	-165.4	0	0	0	0	110.7	T52 L56 K57 S58	T52-S54 PolarHBondContact O-N 3.1Å; T52-S54 PolarHBondContact OG1-N 3.34Å; S54-L56 VanDerWaalsContact C-N 3.32Å; S54-L56 PolarHBondContact O-N 2.68Å; S54-K57 PolarHBondContact O-N 3.13Å; S54-S58 PolarHBondContact O-N 3.3Å; S54-S58 PolarHBondContact O-OG 2.78Å
55	D	91.2	Very high	87.2	Confident	73 Å²	73	61 Å²	61	39%	0.39	35%	0.351	S	S	.	.	H	α-helix	trans	-62.5	-41	177.9	-54.6	-38.5	0	0	0	111.2	C51 T52 I53 K57 S58 M59	C51-D55 HydrophobicContact CB-CB 4.16Å; T52-D55 WeakPolarHBondContact CB-OD2 3.32Å; T52-D55 WeakPolarHBondContact CG2-OD2 3.44Å; T52-D55 PolarHBondContact N-OD2 3.21Å; T52-D55 WeakPolarHBondContact O-CB 3.45Å; T52-D55 PolarHBondContact O-N 3.04Å; T52-D55 VanDerWaalsContact O-N 3.12Å; T52-D55 PolarHBondContact OG1-N 2.71Å; T52-D55 VanDerWaalsContact OG1-N 3.13Å; T52-D55 PolarHBondContact OG1-OD1 3.42Å; T52-D55 PolarHBondContact OG1-OD2 3.08Å; I53-D55 VanDerWaalsContact C-N 3.34Å; D55-K57 VanDerWaalsContact C-N 3.34Å; D55-K57 PolarHBondContact O-N 3.42Å; D55-S58 PolarHBondContact O-N 3.23Å; D55-M59 HydrophobicContact CB-CE 3.94Å; D55-M59 WeakPolarHBondContact O-CB 3.47Å; D55-M59 WeakPolarHBondContact O-CE 3.37Å; D55-M59 VanDerWaalsContact O-CG 3.29Å; D55-M59 WeakPolarHBondContact O-CG 3.45Å; D55-M59 PolarHBondContact O-N 2.82Å
56	L	90.7	Very high	87.9	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-60.2	-43.6	175.1	-72.6	169.9	0	0	0	111.8	T52 I53 S54 M59 V60 T214 M215 N218	T52-L56 PolarHBondContact O-N 3.12Å; I53-L56 PolarHBondContact O-N 2.82Å; S54-L56 VanDerWaalsContact C-N 3.32Å; S54-L56 PolarHBondContact O-N 2.68Å; L56-M59 HydrophobicContact CD2-CE 4.02Å; L56-M59 HydrophobicContact CG-CE 4.44Å; L56-M59 PolarHBondContact O-N 2.87Å; L56-V60 WeakPolarHBondContact O-CG2 3.42Å; L56-V60 PolarHBondContact O-N 2.87Å; L56-V60 VanDerWaalsContact O-N 3.13Å; L56-T214 HydrophobicContact CD2-CG2 4.09Å; L56-M215 HydrophobicContact CD1-CE 4.26Å; L56-M215 HydrophobicContact CD1-SD 3.81Å; L56-M215 HydrophobicContact CD2-SD 4.37Å; L56-N218 HydrophobicContact CD2-CB 4.18Å
57	K	93.1	Very high	88.8	Confident	34 Å²	34	54.9 Å²	54.9	15%	0.148	33%	0.328	C	S	.	.	H	α-helix	trans	-64.7	-44.6	176.8	-71.3	173.9	172.5	-177	0	111.5	I53 S54 D55 M59 V60 L61 L92 E93	I53-K57 WeakPolarHBondContact O-CG 3.35Å; I53-K57 PolarHBondContact O-N 2.49Å; S54-K57 PolarHBondContact O-N 3.13Å; D55-K57 VanDerWaalsContact C-N 3.34Å; D55-K57 PolarHBondContact O-N 3.42Å; K57-M59 VanDerWaalsContact C-N 3.34Å; K57-M59 PolarHBondContact O-N 3.4Å; K57-V60 PolarHBondContact O-N 3.41Å; K57-L61 WeakPolarHBondContact O-CG 3.18Å; K57-L61 PolarHBondContact O-N 3.35Å; K57-L92 HydrophobicContact CB-CD2 3.92Å; K57-L92 HydrophobicContact CG-CD2 4.09Å; K57-L92 HydrophobicContact CG-CG 4.27Å; K57-E93 WeakPolarHBondContact CD-OE1 3.46Å; K57-E93 WeakPolarHBondContact CE-OE1 3.48Å; K57-E93 IonicContact NZ-OE1 3.23Å; K57-E93 PolarHBondContact NZ-OE1 3.37Å; K57-E93 IonicContact NZ-OE2 3.52Å; K57-E93 PolarHBondContact NZ-OE2 2.97Å
58	S	95.3	Very high	90.1	Very high	46 Å²	46	55.4 Å²	55.4	32%	0.322	31%	0.306	S	S	.	.	H	α-helix	trans	-60.4	-42.1	175.2	-61.4	0	0	0	0	112	S54 D55 V60 L61 Q62	S54-S58 PolarHBondContact O-N 3.3Å; S54-S58 PolarHBondContact O-OG 2.78Å; D55-S58 PolarHBondContact O-N 3.23Å; S58-V60 VanDerWaalsContact C-N 3.29Å; S58-V60 PolarHBondContact O-N 2.66Å; S58-L61 PolarHBondContact O-N 3.15Å; S58-Q62 VanDerWaalsContact O-CB 3.28Å; S58-Q62 WeakPolarHBondContact O-CB 3.34Å; S58-Q62 VanDerWaalsContact O-CG 3.26Å; S58-Q62 WeakPolarHBondContact O-CG 3.42Å; S58-Q62 PolarHBondContact O-N 3.35Å
59	M	94.8	Very high	91	Very high	75 Å²	75	54.3 Å²	54.3	37%	0.369	30%	0.301	S	S	.	.	H	α-helix	trans	-59	-38.7	175	-77	-177.9	-108.8	0	0	112.6	C51 D55 L56 K57 S63 T214	C51-M59 HydrophobicContact CB-CE 3.84Å; D55-M59 HydrophobicContact CB-CE 3.94Å; D55-M59 WeakPolarHBondContact O-CB 3.47Å; D55-M59 WeakPolarHBondContact O-CE 3.37Å; D55-M59 VanDerWaalsContact O-CG 3.29Å; D55-M59 WeakPolarHBondContact O-CG 3.45Å; D55-M59 PolarHBondContact O-N 2.82Å; L56-M59 HydrophobicContact CD2-CE 4.02Å; L56-M59 HydrophobicContact CG-CE 4.44Å; L56-M59 PolarHBondContact O-N 2.87Å; K57-M59 VanDerWaalsContact C-N 3.34Å; K57-M59 PolarHBondContact O-N 3.4Å; M59-S63 PolarHBondContact O-N 3.15Å; M59-T214 HydrophobicContact CB-CG2 4Å; M59-T214 HydrophobicContact SD-CG2 4.45Å
60	V	95.9	Very high	92.1	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	27%	0.27	C	S	.	.	H	α-helix	trans	-68.1	-50.5	176.8	173.4	0	0	0	0	110.7	L56 K57 S58 Q62 S63 L66 L92 E210 Y211 T214	L56-V60 WeakPolarHBondContact O-CG2 3.42Å; L56-V60 PolarHBondContact O-N 2.87Å; L56-V60 VanDerWaalsContact O-N 3.13Å; K57-V60 PolarHBondContact O-N 3.41Å; S58-V60 VanDerWaalsContact C-N 3.29Å; S58-V60 PolarHBondContact O-N 2.66Å; V60-Q62 VanDerWaalsContact C-N 3.27Å; V60-Q62 PolarHBondContact O-N 3.38Å; V60-S63 VanDerWaalsContact O-CB 3.31Å; V60-S63 WeakPolarHBondContact O-CB 3.36Å; V60-S63 PolarHBondContact O-N 3.44Å; V60-S63 VanDerWaalsContact O-N 3.15Å; V60-S63 PolarHBondContact O-OG 3.18Å; V60-L66 HydrophobicContact CG1-CD2 4.34Å; V60-L66 WeakPolarHBondContact O-CD2 3.15Å; V60-L92 HydrophobicContact CB-CD2 4.06Å; V60-L92 HydrophobicContact CG1-CD1 4.2Å; V60-L92 HydrophobicContact CG1-CD2 4.03Å; V60-E210 HydrophobicContact CG1-CB 4.28Å; V60-E210 HydrophobicContact CG1-CG 4.25Å; V60-Y211 HydrophobicContact CG2-CD2 4.35Å; V60-T214 HydrophobicContact CG2-CG2 4.08Å
61	L	96.6	Very high	93.2	Very high	26 Å²	26	47.8 Å²	47.8	14%	0.136	26%	0.256	C	S	.	.	H	α-helix	trans	-63.3	-32.5	-178.2	-67.5	174.8	0	0	0	112.8	K57 S58 L66 A88 E89 L92	K57-L61 WeakPolarHBondContact O-CG 3.18Å; K57-L61 PolarHBondContact O-N 3.35Å; S58-L61 PolarHBondContact O-N 3.15Å; L61-L66 HydrophobicContact CD2-CD2 4.27Å; L61-A88 HydrophobicContact CD2-CB 4.46Å; L61-E89 HydrophobicContact CD1-CB 4.37Å; L61-E89 HydrophobicContact CD1-CG 4.22Å; L61-E89 HydrophobicContact CD2-CB 4.35Å; L61-L92 HydrophobicContact CD1-CD2 4.24Å; L61-L92 HydrophobicContact CD2-CD2 3.94Å; L61-L92 HydrophobicContact CG-CD2 3.75Å
62	Q	95.7	Very high	93.8	Very high	143 Å²	143	50 Å²	50	67%	0.668	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	2.7	179	-65.2	174.2	-2.3	0	0	113.5	S58 V60	S58-Q62 VanDerWaalsContact O-CB 3.28Å; S58-Q62 WeakPolarHBondContact O-CB 3.34Å; S58-Q62 VanDerWaalsContact O-CG 3.26Å; S58-Q62 WeakPolarHBondContact O-CG 3.42Å; S58-Q62 PolarHBondContact O-N 3.35Å; V60-Q62 VanDerWaalsContact C-N 3.27Å; V60-Q62 PolarHBondContact O-N 3.38Å
63	S	96.3	Very high	94.3	Very high	15 Å²	15	47.3 Å²	47.3	11%	0.105	25%	0.248	C	C	.	.			trans	-67.8	137	-178.4	70.2	0	0	0	0	111.8	M59 V60 Q65 L66 L67 E210	M59-S63 PolarHBondContact O-N 3.15Å; V60-S63 VanDerWaalsContact O-CB 3.31Å; V60-S63 WeakPolarHBondContact O-CB 3.36Å; V60-S63 PolarHBondContact O-N 3.44Å; V60-S63 VanDerWaalsContact O-N 3.15Å; V60-S63 PolarHBondContact O-OG 3.18Å; S63-Q65 PolarHBondContact O-N 3.35Å; S63-Q65 VanDerWaalsContact O-N 3.15Å; S63-L66 PolarHBondContact O-N 3.09Å; S63-L66 VanDerWaalsContact O-N 3.12Å; S63-L66 WeakPolarHBondContact OG-CB 3.1Å; S63-L66 PolarHBondContact OG-N 3.15Å; S63-L67 WeakPolarHBondContact O-CG 3.45Å; S63-L67 PolarHBondContact O-N 3.49Å; S63-E210 WeakPolarHBondContact OG-CG 3.44Å
64	D	95.4	Very high	94.9	Very high	112 Å²	112	46.1 Å²	46.1	60%	0.599	24%	0.243	S	C	*	.	H	α-helix	trans	-55	-35.8	176.3	-62.5	-29.8	0	0	0	112.2	Y68 H338	D64-Y68 VanDerWaalsContact O-CB 3.28Å; D64-Y68 WeakPolarHBondContact O-CB 3.42Å; D64-Y68 PolarHBondContact O-N 3.35Å; D64-H338 HydrophobicContact CB-CB 3.43Å; D64-H338 VanDerWaalsContact CB-CB 3.43Å
65	Q	94.3	Very high	95.2	Very high	13 Å²	13	51 Å²	51	6%	0.061	25%	0.254	C	S	.	.	H	α-helix	trans	-66.9	-44.9	-179.7	-176	-175.6	-49.3	0	0	111.2	S63 V69 H338 P340	S63-Q65 PolarHBondContact O-N 3.35Å; S63-Q65 VanDerWaalsContact O-N 3.15Å; Q65-V69 WeakPolarHBondContact O-CG2 3.32Å; Q65-V69 PolarHBondContact O-N 3.16Å; Q65-V69 VanDerWaalsContact O-N 3.15Å; Q65-H338 VanDerWaalsContact CA-O 3.29Å; Q65-H338 WeakPolarHBondContact CA-O 3.15Å; Q65-H338 HydrophobicContact CB-CB 4.38Å; Q65-H338 WeakPolarHBondContact CB-O 3.24Å; Q65-H338 WeakPolarHBondContact CG-O 3.43Å; Q65-P340 HydrophobicContact CG-CG 4.08Å
66	L	96.2	Very high	95.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-69.3	-43.7	179.3	-178	58.2	0	0	0	111	V60 L61 S63 Y68 V69 I70 L203 A206 V207	V60-L66 HydrophobicContact CG1-CD2 4.34Å; V60-L66 WeakPolarHBondContact O-CD2 3.15Å; L61-L66 HydrophobicContact CD2-CD2 4.27Å; S63-L66 PolarHBondContact O-N 3.09Å; S63-L66 VanDerWaalsContact O-N 3.12Å; S63-L66 WeakPolarHBondContact OG-CB 3.1Å; S63-L66 PolarHBondContact OG-N 3.15Å; L66-Y68 VanDerWaalsContact C-N 3.28Å; L66-Y68 PolarHBondContact O-N 3.38Å; L66-V69 PolarHBondContact O-N 3.3Å; L66-V69 VanDerWaalsContact O-N 3.08Å; L66-I70 HydrophobicContact CD1-CD1 4.27Å; L66-I70 HydrophobicContact CD1-CG1 4.24Å; L66-I70 HydrophobicContact CD2-CD1 4.49Å; L66-I70 HydrophobicContact CG-CD1 3.86Å; L66-I70 HydrophobicContact CG-CG1 4.3Å; L66-I70 WeakPolarHBondContact O-CG1 3.32Å; L66-I70 PolarHBondContact O-N 2.79Å; L66-L203 HydrophobicContact CD1-CD1 4.29Å; L66-A206 HydrophobicContact CD1-CB 3.99Å; L66-V207 HydrophobicContact CD1-CG2 3.64Å; L66-V207 HydrophobicContact CD2-CG2 4.17Å
67	L	96.9	Very high	95.5	Very high	61 Å²	61	56.1 Å²	56.1	32%	0.319	28%	0.282	S	S	.	.	H	α-helix	trans	-59.6	-39	176.4	-66.5	175.3	0	0	0	112	S63 I70 N71	S63-L67 WeakPolarHBondContact O-CG 3.45Å; S63-L67 PolarHBondContact O-N 3.49Å; L67-I70 PolarHBondContact O-N 3.17Å; L67-N71 WeakPolarHBondContact O-CB 3.25Å; L67-N71 PolarHBondContact O-N 2.65Å; L67-N71 PolarHBondContact O-ND2 2.88Å
68	Y	96.4	Very high	95.5	Very high	89 Å²	89	57.9 Å²	57.9	35%	0.349	31%	0.309	S	S	.	.	H	α-helix	trans	-60.2	-47.1	172.8	178.2	-86.9	0	0	0	111.8	D64 L66 N71 Q72 I339 P340	D64-Y68 VanDerWaalsContact O-CB 3.28Å; D64-Y68 WeakPolarHBondContact O-CB 3.42Å; D64-Y68 PolarHBondContact O-N 3.35Å; L66-Y68 VanDerWaalsContact C-N 3.28Å; L66-Y68 PolarHBondContact O-N 3.38Å; Y68-N71 PolarHBondContact O-N 2.97Å; Y68-Q72 PolarHBondContact O-N 3.01Å; Y68-I339 HydrophobicContact CD2-CG1 4.34Å; Y68-I339 HydrophobicContact CE1-CG2 4.31Å; Y68-I339 HydrophobicContact CE2-CD1 4.45Å; Y68-I339 HydrophobicContact CE2-CG1 4.09Å; Y68-P340 HydrophobicContact CD1-CG 4.5Å
69	V	95.9	Very high	95.5	Very high	9 Å²	9	58 Å²	58	6%	0.055	31%	0.308	C	S	.	.	H	α-helix	trans	-67.4	-40.4	179.7	174.9	0	0	0	0	111.6	Q65 L66 N71 Q72 V73 A206 P340	Q65-V69 WeakPolarHBondContact O-CG2 3.32Å; Q65-V69 PolarHBondContact O-N 3.16Å; Q65-V69 VanDerWaalsContact O-N 3.15Å; L66-V69 PolarHBondContact O-N 3.3Å; L66-V69 VanDerWaalsContact O-N 3.08Å; V69-N71 VanDerWaalsContact C-N 3.31Å; V69-N71 PolarHBondContact O-N 3.09Å; V69-Q72 WeakPolarHBondContact O-CB 3.17Å; V69-Q72 PolarHBondContact O-N 3.05Å; V69-Q72 VanDerWaalsContact O-N 3.1Å; V69-V73 HydrophobicContact CG1-CG2 4.03Å; V69-V73 WeakPolarHBondContact O-CG2 3.29Å; V69-V73 PolarHBondContact O-N 2.89Å; V69-A206 HydrophobicContact CB-CB 3.9Å; V69-A206 HydrophobicContact CG1-CB 3.71Å; V69-A206 HydrophobicContact CG2-CB 3.89Å; V69-P340 HydrophobicContact CG2-CG 3.66Å
70	I	96.6	Very high	95.5	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-56.2	-48.1	175	-72.1	170.7	0	0	0	110.1	L66 L67 Q72 V73 S74 I84 Q85 A88 L203	L66-I70 HydrophobicContact CD1-CD1 4.27Å; L66-I70 HydrophobicContact CD1-CG1 4.24Å; L66-I70 HydrophobicContact CD2-CD1 4.49Å; L66-I70 HydrophobicContact CG-CD1 3.86Å; L66-I70 HydrophobicContact CG-CG1 4.3Å; L66-I70 WeakPolarHBondContact O-CG1 3.32Å; L66-I70 PolarHBondContact O-N 2.79Å; L67-I70 PolarHBondContact O-N 3.17Å; I70-Q72 VanDerWaalsContact C-N 3.31Å; I70-Q72 PolarHBondContact O-N 2.91Å; I70-V73 PolarHBondContact O-N 2.97Å; I70-S74 VanDerWaalsContact O-CB 3.29Å; I70-S74 WeakPolarHBondContact O-CB 3.43Å; I70-S74 PolarHBondContact O-N 3.15Å; I70-I84 HydrophobicContact CB-CG2 4.23Å; I70-I84 HydrophobicContact CG1-CG2 4.05Å; I70-I84 HydrophobicContact CG2-CB 4.15Å; I70-I84 HydrophobicContact CG2-CG2 3.87Å; I70-Q85 HydrophobicContact CD1-CB 4.38Å; I70-A88 HydrophobicContact CD1-CB 4.3Å; I70-L203 HydrophobicContact CG1-CD1 3.99Å
71	N	96.6	Very high	95.5	Very high	79 Å²	79	59.2 Å²	59.2	42%	0.422	33%	0.325	S	S	.	.	H	α-helix	trans	-63.2	-36	176.8	-75.3	-42.4	0	0	0	112.8	L67 Y68 V69 K75 T81	L67-N71 WeakPolarHBondContact O-CB 3.25Å; L67-N71 PolarHBondContact O-N 2.65Å; L67-N71 PolarHBondContact O-ND2 2.88Å; Y68-N71 PolarHBondContact O-N 2.97Å; V69-N71 VanDerWaalsContact C-N 3.31Å; V69-N71 PolarHBondContact O-N 3.09Å; N71-K75 VanDerWaalsContact O-CG 3.31Å; N71-K75 WeakPolarHBondContact O-CG 3.3Å; N71-K75 PolarHBondContact O-N 2.94Å; N71-T81 WeakPolarHBondContact OD1-CG2 3.29Å
72	Q	95	Very high	95.4	Very high	66 Å²	66	63.2 Å²	63.2	31%	0.308	35%	0.347	S	S	.	.	H	α-helix	trans	-68.3	-48.5	176.2	-176.5	179.3	-12.1	0	0	111.5	Y68 V69 I70 S74 K75 E76	Y68-Q72 PolarHBondContact O-N 3.01Å; V69-Q72 WeakPolarHBondContact O-CB 3.17Å; V69-Q72 PolarHBondContact O-N 3.05Å; V69-Q72 VanDerWaalsContact O-N 3.1Å; I70-Q72 VanDerWaalsContact C-N 3.31Å; I70-Q72 PolarHBondContact O-N 2.91Å; Q72-S74 VanDerWaalsContact C-N 3.31Å; Q72-S74 PolarHBondContact O-N 3.4Å; Q72-K75 PolarHBondContact O-N 3.2Å; Q72-E76 WeakPolarHBondContact CG-OE1 3.33Å; Q72-E76 PolarHBondContact NE2-OE1 3.27Å; Q72-E76 WeakPolarHBondContact O-CG 3.48Å; Q72-E76 PolarHBondContact O-N 3.11Å
73	V	95.1	Very high	95.4	Very high	19 Å²	19	62.2 Å²	62.2	12%	0.115	34%	0.342	C	S	.	.	H	α-helix	trans	-61.4	-42.5	178.2	174.9	0	0	0	0	110	V69 I70 K75 E76 T77 I84 K202	V69-V73 HydrophobicContact CG1-CG2 4.03Å; V69-V73 WeakPolarHBondContact O-CG2 3.29Å; V69-V73 PolarHBondContact O-N 2.89Å; I70-V73 PolarHBondContact O-N 2.97Å; V73-K75 VanDerWaalsContact C-N 3.32Å; V73-K75 PolarHBondContact O-N 3.11Å; V73-E76 PolarHBondContact O-N 2.89Å; V73-E76 VanDerWaalsContact O-N 3.08Å; V73-T77 HydrophobicContact CG1-CG2 4.05Å; V73-T77 PolarHBondContact O-N 3.37Å; V73-T77 PolarHBondContact O-OG1 3.25Å; V73-T77 VanDerWaalsContact O-OG1 3.05Å; V73-I84 HydrophobicContact CB-CD1 4.32Å; V73-I84 HydrophobicContact CG1-CD1 3.97Å; V73-I84 HydrophobicContact CG1-CG2 4.45Å; V73-K202 HydrophobicContact CG2-CB 4.28Å
74	S	96.6	Very high	95.4	Very high	20 Å²	20	61.6 Å²	61.6	14%	0.14	34%	0.337	C	S	.	.	H	α-helix	trans	-54.8	-45.9	174.9	178.3	0	0	0	0	112.5	I70 Q72 G78 T79 I84	I70-S74 VanDerWaalsContact O-CB 3.29Å; I70-S74 WeakPolarHBondContact O-CB 3.43Å; I70-S74 PolarHBondContact O-N 3.15Å; Q72-S74 VanDerWaalsContact C-N 3.31Å; Q72-S74 PolarHBondContact O-N 3.4Å; S74-G78 WeakPolarHBondContact O-CA 3.37Å; S74-G78 PolarHBondContact O-N 3.24Å; S74-T79 WeakPolarHBondContact CA-O 3.37Å; S74-T79 WeakPolarHBondContact CB-O 3.4Å; S74-T79 PolarHBondContact OG-O 3.33Å; S74-I84 VanDerWaalsContact N-CD1 3.29Å
75	K	95.6	Very high	95.4	Very high	181 Å²	181	60 Å²	60	79%	0.787	33%	0.327	S	S	*	.	H	α-helix	trans	-67.9	-35.2	177	-70.7	173.9	-174.5	-179.6	0	113	N71 Q72 V73	N71-K75 VanDerWaalsContact O-CG 3.31Å; N71-K75 WeakPolarHBondContact O-CG 3.3Å; N71-K75 PolarHBondContact O-N 2.94Å; Q72-K75 PolarHBondContact O-N 3.2Å; V73-K75 VanDerWaalsContact C-N 3.32Å; V73-K75 PolarHBondContact O-N 3.11Å
76	E	94.4	Very high	95.5	Very high	104 Å²	104	64.8 Å²	64.8	49%	0.486	35%	0.352	S	S	.	.	H	α-helix	trans	-75.4	-36.4	-179.3	-72.1	176.7	-172.2	0	0	112.5	Q72 V73 K202	Q72-E76 WeakPolarHBondContact CG-OE1 3.33Å; Q72-E76 PolarHBondContact NE2-OE1 3.27Å; Q72-E76 WeakPolarHBondContact O-CG 3.48Å; Q72-E76 PolarHBondContact O-N 3.11Å; V73-E76 PolarHBondContact O-N 2.89Å; V73-E76 VanDerWaalsContact O-N 3.08Å; E76-K202 IonicContact OE1-NZ 2.71Å; E76-K202 PolarHBondContact OE1-NZ 2.96Å; E76-K202 IonicContact OE2-NZ 3.94Å; E76-K202 PolarHBondContact OE2-NZ 2.92Å
77	T	93.1	Very high	95.5	Very high	82 Å²	82	69.5 Å²	69.5	50%	0.503	37%	0.374	S	S	.	.	H	α-helix	trans	-98	-19.3	-176.5	65.9	0	0	0	0	113.9	V73 T79	V73-T77 HydrophobicContact CG1-CG2 4.05Å; V73-T77 PolarHBondContact O-N 3.37Å; V73-T77 PolarHBondContact O-OG1 3.25Å; V73-T77 VanDerWaalsContact O-OG1 3.05Å; T77-T79 PolarHBondContact O-N 3.2Å; T77-T79 WeakPolarHBondContact OG1-CB 3.32Å; T77-T79 PolarHBondContact OG1-N 3.35Å; T77-T79 PolarHBondContact OG1-OG1 3.36Å
78	G	93.5	Very high	95.6	Very high	70 Å²	70	66.6 Å²	66.6	72%	0.722	36%	0.359	S	S	*	.			trans	77	6.3	-172.4	0	0	0	0	0	114.2	S74	S74-G78 WeakPolarHBondContact O-CA 3.37Å; S74-G78 PolarHBondContact O-N 3.24Å
79	T	94.4	Very high	95.6	Very high	48 Å²	48	66.6 Å²	66.6	29%	0.294	36%	0.362	S	S	.	.			trans	-79.8	144.1	178.9	-47.3	0	0	0	0	110.5	S74 T77 E83 I84	S74-T79 WeakPolarHBondContact CA-O 3.37Å; S74-T79 WeakPolarHBondContact CB-O 3.4Å; S74-T79 PolarHBondContact OG-O 3.33Å; T77-T79 PolarHBondContact O-N 3.2Å; T77-T79 WeakPolarHBondContact OG1-CB 3.32Å; T77-T79 PolarHBondContact OG1-N 3.35Å; T77-T79 PolarHBondContact OG1-OG1 3.36Å; T79-E83 HydrophobicContact CG2-CB 3.91Å; T79-E83 WeakPolarHBondContact CG2-OE2 3.44Å; T79-I84 HydrophobicContact CG2-CD1 4.41Å; T79-I84 HydrophobicContact CG2-CG1 4.01Å
80	A	95.8	Very high	95.6	Very high	52 Å²	52	69 Å²	69	43%	0.43	38%	0.383	S	S	.	.			trans	-61.9	144.8	177.8	0	0	0	0	0	111.4	D82 E83 I84	A80-D82 PolarHBondContact O-N 2.9Å; A80-E83 HydrophobicContact CB-CG 4.36Å; A80-E83 PolarHBondContact O-N 3.42Å; A80-I84 PolarHBondContact O-N 3.17Å
81	T	94.8	Very high	95.5	Very high	50 Å²	50	69.1 Å²	69.1	31%	0.307	38%	0.384	S	S	.	.	H	α-helix	trans	-57.7	-36.7	-179.4	46.7	0	0	0	0	112.6	N71 I84 Q85	N71-T81 WeakPolarHBondContact OD1-CG2 3.29Å; T81-I84 PolarHBondContact O-N 3.22Å; T81-Q85 WeakPolarHBondContact O-CB 3.24Å; T81-Q85 PolarHBondContact O-N 2.99Å
82	D	94.9	Very high	95.5	Very high	110 Å²	110	65.4 Å²	65.4	59%	0.588	36%	0.364	S	S	*	.	H	α-helix	trans	-66.8	-38.2	-177.8	-59.8	-7.9	0	0	0	111.5	A80 Q85 L86	A80-D82 PolarHBondContact O-N 2.9Å; D82-Q85 PolarHBondContact O-N 3.38Å; D82-L86 WeakPolarHBondContact O-CG 3.45Å; D82-L86 PolarHBondContact O-N 3.44Å
83	E	95.7	Very high	95.4	Very high	122 Å²	122	66.8 Å²	66.8	57%	0.57	37%	0.37	S	S	*	.	H	α-helix	trans	-66.8	-42.2	176.1	-66.8	179.4	-177.2	0	0	111.4	T79 A80 Q85 L86 E87	T79-E83 HydrophobicContact CG2-CB 3.91Å; T79-E83 WeakPolarHBondContact CG2-OE2 3.44Å; A80-E83 HydrophobicContact CB-CG 4.36Å; A80-E83 PolarHBondContact O-N 3.42Å; E83-Q85 VanDerWaalsContact C-N 3.3Å; E83-Q85 PolarHBondContact O-N 2.89Å; E83-L86 PolarHBondContact O-N 3.31Å; E83-E87 PolarHBondContact O-N 2.91Å
84	I	96.2	Very high	95.3	Very high	2 Å²	2	68.2 Å²	68.2	1%	0.01	38%	0.376	C	S	.	.	H	α-helix	trans	-67.2	-34.7	176.5	-64.4	168.5	0	0	0	110.8	I70 V73 S74 T79 A80 T81 E87 A88 L203	I70-I84 HydrophobicContact CB-CG2 4.23Å; I70-I84 HydrophobicContact CG1-CG2 4.05Å; I70-I84 HydrophobicContact CG2-CB 4.15Å; I70-I84 HydrophobicContact CG2-CG2 3.87Å; V73-I84 HydrophobicContact CB-CD1 4.32Å; V73-I84 HydrophobicContact CG1-CD1 3.97Å; V73-I84 HydrophobicContact CG1-CG2 4.45Å; S74-I84 VanDerWaalsContact N-CD1 3.29Å; T79-I84 HydrophobicContact CG2-CD1 4.41Å; T79-I84 HydrophobicContact CG2-CG1 4.01Å; A80-I84 PolarHBondContact O-N 3.17Å; T81-I84 PolarHBondContact O-N 3.22Å; I84-E87 WeakPolarHBondContact O-CB 3.27Å; I84-E87 PolarHBondContact O-N 3.07Å; I84-A88 PolarHBondContact O-N 3.5Å; I84-L203 HydrophobicContact CG2-CD1 3.91Å; I84-L203 HydrophobicContact CG2-CD2 3.84Å
85	Q	96.1	Very high	95.1	Very high	80 Å²	80	67.4 Å²	67.4	37%	0.374	37%	0.369	S	S	.	.	H	α-helix	trans	-66.5	-40.2	175.3	-176.1	167	-9.1	0	0	111.8	I70 T81 D82 E83 E87 A88 E89	I70-Q85 HydrophobicContact CD1-CB 4.38Å; T81-Q85 WeakPolarHBondContact O-CB 3.24Å; T81-Q85 PolarHBondContact O-N 2.99Å; D82-Q85 PolarHBondContact O-N 3.38Å; E83-Q85 VanDerWaalsContact C-N 3.3Å; E83-Q85 PolarHBondContact O-N 2.89Å; Q85-E87 VanDerWaalsContact C-N 3.32Å; Q85-A88 WeakPolarHBondContact O-CB 3.41Å; Q85-A88 PolarHBondContact O-N 3.4Å; Q85-E89 PolarHBondContact O-N 3.23Å
86	L	96.7	Very high	95	Very high	113 Å²	113	58.9 Å²	58.9	59%	0.592	33%	0.333	S	S	*	.	H	α-helix	trans	-62.9	-38.5	171.8	-70.7	171.6	0	0	0	111.8	D82 E83 E89 A90	D82-L86 WeakPolarHBondContact O-CG 3.45Å; D82-L86 PolarHBondContact O-N 3.44Å; E83-L86 PolarHBondContact O-N 3.31Å; L86-E89 PolarHBondContact O-N 3.42Å; L86-A90 PolarHBondContact O-N 2.83Å
87	E	96.2	Very high	94.9	Very high	99 Å²	99	54 Å²	54	46%	0.463	31%	0.31	S	S	.	.	H	α-helix	trans	-63.3	-43	173.1	-172.8	179.9	179	0	0	111.6	E83 I84 Q85 E89 A90 I91 L203	E83-E87 PolarHBondContact O-N 2.91Å; I84-E87 WeakPolarHBondContact O-CB 3.27Å; I84-E87 PolarHBondContact O-N 3.07Å; Q85-E87 VanDerWaalsContact C-N 3.32Å; E87-E89 VanDerWaalsContact C-N 3.33Å; E87-E89 PolarHBondContact O-N 3.45Å; E87-A90 PolarHBondContact O-N 3.32Å; E87-I91 HydrophobicContact CG-CD1 4.15Å; E87-I91 VanDerWaalsContact O-CG1 3.3Å; E87-I91 WeakPolarHBondContact O-CG1 3.36Å; E87-I91 PolarHBondContact O-N 2.89Å; E87-L203 HydrophobicContact CB-CD2 4.02Å; E87-L203 HydrophobicContact CG-CD2 3.81Å
88	A	97.1	Very high	94.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61.2	-40.7	175.9	0	0	0	0	0	112.2	L61 I70 I84 Q85 I91 L92 L203 V207	L61-A88 HydrophobicContact CD2-CB 4.46Å; I70-A88 HydrophobicContact CD1-CB 4.3Å; I84-A88 PolarHBondContact O-N 3.5Å; Q85-A88 WeakPolarHBondContact O-CB 3.41Å; Q85-A88 PolarHBondContact O-N 3.4Å; A88-I91 PolarHBondContact O-N 3.01Å; A88-L92 WeakPolarHBondContact O-CB 3.26Å; A88-L92 PolarHBondContact O-N 3.18Å; A88-L203 HydrophobicContact CB-CD1 4.18Å; A88-V207 HydrophobicContact CB-CG2 3.82Å
89	E	97.1	Very high	94.7	Very high	88 Å²	88	55.3 Å²	55.3	41%	0.411	29%	0.287	S	S	.	.	H	α-helix	trans	-63.4	-45.2	174.2	-175.5	174.6	-172.9	0	0	111.6	L61 Q85 L86 E87 I91 L92 E93	L61-E89 HydrophobicContact CD1-CB 4.37Å; L61-E89 HydrophobicContact CD1-CG 4.22Å; L61-E89 HydrophobicContact CD2-CB 4.35Å; Q85-E89 PolarHBondContact O-N 3.23Å; L86-E89 PolarHBondContact O-N 3.42Å; E87-E89 VanDerWaalsContact C-N 3.33Å; E87-E89 PolarHBondContact O-N 3.45Å; E89-I91 PolarHBondContact O-N 3.39Å; E89-L92 PolarHBondContact O-N 3Å; E89-E93 WeakPolarHBondContact O-CG 3.5Å; E89-E93 PolarHBondContact O-N 3.04Å
90	A	96.4	Very high	94.7	Very high	60 Å²	60	55.6 Å²	55.6	50%	0.496	29%	0.285	S	S	.	.	H	α-helix	trans	-61.7	-42.3	176.6	0	0	0	0	0	112.3	L86 E87 L92 E93 E94	L86-A90 PolarHBondContact O-N 2.83Å; E87-A90 PolarHBondContact O-N 3.32Å; A90-L92 VanDerWaalsContact C-N 3.34Å; A90-E93 PolarHBondContact O-N 3.13Å; A90-E94 WeakPolarHBondContact O-CB 3.47Å; A90-E94 PolarHBondContact O-N 2.91Å
91	I	95.3	Very high	94.5	Very high	7 Å²	7	56.3 Å²	56.3	4%	0.036	28%	0.281	C	S	.	.	H	α-helix	trans	-60.2	-46.6	174	-69.7	165.7	0	0	0	110.1	E87 A88 E89 E94 M95 L203 Y204 V207	E87-I91 HydrophobicContact CG-CD1 4.15Å; E87-I91 VanDerWaalsContact O-CG1 3.3Å; E87-I91 WeakPolarHBondContact O-CG1 3.36Å; E87-I91 PolarHBondContact O-N 2.89Å; A88-I91 PolarHBondContact O-N 3.01Å; E89-I91 PolarHBondContact O-N 3.39Å; I91-E94 WeakPolarHBondContact O-CB 3.17Å; I91-E94 PolarHBondContact O-N 3.32Å; I91-M95 VanDerWaalsContact O-CG 3.31Å; I91-M95 WeakPolarHBondContact O-CG 3.37Å; I91-M95 PolarHBondContact O-N 2.89Å; I91-L203 HydrophobicContact CD1-CD2 4.08Å; I91-L203 HydrophobicContact CD1-CG 4.17Å; I91-Y204 HydrophobicContact CG2-CD2 3.54Å; I91-Y204 HydrophobicContact CG2-CE2 3.97Å; I91-Y204 HydrophobicContact CG2-CG 4.49Å; I91-V207 HydrophobicContact CB-CG1 4.41Å; I91-V207 HydrophobicContact CG2-CB 4.04Å; I91-V207 HydrophobicContact CG2-CG1 3.83Å; I91-V207 HydrophobicContact CG2-CG2 4.48Å
92	L	95.8	Very high	94.6	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-42.7	-179	-175.7	58.1	0	0	0	111.7	K57 V60 L61 A88 E89 A90 M95 A96 V207 Y211	K57-L92 HydrophobicContact CB-CD2 3.92Å; K57-L92 HydrophobicContact CG-CD2 4.09Å; K57-L92 HydrophobicContact CG-CG 4.27Å; V60-L92 HydrophobicContact CB-CD2 4.06Å; V60-L92 HydrophobicContact CG1-CD1 4.2Å; V60-L92 HydrophobicContact CG1-CD2 4.03Å; L61-L92 HydrophobicContact CD1-CD2 4.24Å; L61-L92 HydrophobicContact CD2-CD2 3.94Å; L61-L92 HydrophobicContact CG-CD2 3.75Å; A88-L92 WeakPolarHBondContact O-CB 3.26Å; A88-L92 PolarHBondContact O-N 3.18Å; E89-L92 PolarHBondContact O-N 3Å; A90-L92 VanDerWaalsContact C-N 3.34Å; L92-M95 HydrophobicContact CD1-CG 4.41Å; L92-M95 WeakPolarHBondContact O-CG 3.41Å; L92-M95 PolarHBondContact O-N 3.47Å; L92-A96 HydrophobicContact CD1-CB 4.34Å; L92-A96 WeakPolarHBondContact O-CB 3.26Å; L92-A96 PolarHBondContact O-N 3.18Å; L92-V207 HydrophobicContact CB-CG1 3.93Å; L92-V207 HydrophobicContact CD1-CG1 4.18Å; L92-Y211 HydrophobicContact CD1-CD2 3.69Å; L92-Y211 HydrophobicContact CD1-CE2 4.44Å; L92-Y211 HydrophobicContact CD1-CG 4.23Å
93	E	93.7	Very high	94.6	Very high	94 Å²	94	54 Å²	54	44%	0.439	27%	0.272	S	S	.	.	H	α-helix	trans	-64.7	-38.4	175.1	-75.7	-58.8	148.5	0	0	112.8	K57 E89 A90 M95	K57-E93 WeakPolarHBondContact CD-OE1 3.46Å; K57-E93 WeakPolarHBondContact CE-OE1 3.48Å; K57-E93 IonicContact NZ-OE1 3.23Å; K57-E93 PolarHBondContact NZ-OE1 3.37Å; K57-E93 IonicContact NZ-OE2 3.52Å; K57-E93 PolarHBondContact NZ-OE2 2.97Å; E89-E93 WeakPolarHBondContact O-CG 3.5Å; E89-E93 PolarHBondContact O-N 3.04Å; A90-E93 PolarHBondContact O-N 3.13Å; E93-M95 VanDerWaalsContact C-N 3.34Å; E93-M95 PolarHBondContact O-N 3.42Å
94	E	91.8	Very high	94.6	Very high	50 Å²	50	48.7 Å²	48.7	23%	0.234	25%	0.247	C	C	.	.	H	α-helix	trans	-60.4	-45.6	175.2	-170	-165.7	160	0	0	110.8	A90 I91 M174 M177 R187 R195	A90-E94 WeakPolarHBondContact O-CB 3.47Å; A90-E94 PolarHBondContact O-N 2.91Å; I91-E94 WeakPolarHBondContact O-CB 3.17Å; I91-E94 PolarHBondContact O-N 3.32Å; E94-M174 WeakPolarHBondContact OE1-CE 3.42Å; E94-M177 HydrophobicContact CG-CE 3.99Å; E94-M177 HydrophobicContact CG-SD 4.25Å; E94-R187 PolarHBondContact O-NH2 3.36Å; E94-R195 IonicContact OE2-CZ 2.75Å; E94-R195 IonicContact OE2-NE 2.73Å; E94-R195 IonicContact OE2-NH2 3.7Å; E94-R195 PolarHBondContact OE2-NH2 2.96Å
95	M	92	Very high	94.7	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-89	-35	-169.9	70.9	171.7	-72.3	0	0	114.6	I91 L92 E93 F192 F193 V207 F208 Y211	I91-M95 VanDerWaalsContact O-CG 3.31Å; I91-M95 WeakPolarHBondContact O-CG 3.37Å; I91-M95 PolarHBondContact O-N 2.89Å; L92-M95 HydrophobicContact CD1-CG 4.41Å; L92-M95 WeakPolarHBondContact O-CG 3.41Å; L92-M95 PolarHBondContact O-N 3.47Å; E93-M95 VanDerWaalsContact C-N 3.34Å; E93-M95 PolarHBondContact O-N 3.42Å; M95-F192 HydrophobicContact CE-CD2 4.29Å; M95-F192 CarbonylContact O-C 3.57Å; M95-F192 WeakPolarHBondContact O-CA 3.32Å; M95-F192 WeakPolarHBondContact O-CB 3.19Å; M95-F193 WeakPolarHBondContact CB-O 3.32Å; M95-F193 PolarHBondContact O-N 2.99Å; M95-V207 HydrophobicContact SD-CG1 4.16Å; M95-F208 HydrophobicContact CE-CB 4.3Å; M95-F208 HydrophobicContact CE-CD2 3.36Å; M95-F208 HydrophobicContact CE-CE2 4.02Å; M95-F208 HydrophobicContact CE-CG 4.22Å; M95-F208 HydrophobicContact SD-CB 4.27Å; M95-F208 HydrophobicContact SD-CD2 4.21Å; M95-Y211 HydrophobicContact CE-CD1 3.41Å; M95-Y211 VanDerWaalsContact CE-CD1 3.41Å; M95-Y211 HydrophobicContact CE-CE1 4.03Å; M95-Y211 HydrophobicContact CE-CG 3.84Å
96	A	93.8	Very high	94.7	Very high	3 Å²	3	53 Å²	53	3%	0.025	26%	0.263	C	S	.	.			trans	-66.6	150.2	-164.5	0	0	0	0	0	113	L92 R187 Y211	L92-A96 HydrophobicContact CD1-CB 4.34Å; L92-A96 WeakPolarHBondContact O-CB 3.26Å; L92-A96 PolarHBondContact O-N 3.18Å; A96-R187 WeakPolarHBondContact O-CG 3.46Å; A96-Y211 HydrophobicContact CB-CE2 3.78Å
97	H	93.3	Very high	94.7	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.009	24%	0.242	C	C	.	.			trans	-73.9	158.4	174.4	82	-70.4	0	0	0	111.3	A191 F192 Y211	H97-A191 WeakPolarHBondContact CA-O 3.28Å; H97-A191 WeakPolarHBondContact CB-O 3.21Å; H97-F192 HydrophobicContact CB-CB 4.4Å; H97-Y211 PolarHBondContact N-OH 3.12Å; H97-Y211 AromaticContact ND1-CZ 3.86Å; H97-Y211 PolarHBondContact ND1-OH 3.02Å
98	R	91.8	Very high	94.7	Very high	132 Å²	132	44.6 Å²	44.6	50%	0.498	22%	0.221	S	C	.	.			trans	-133.2	54.4	178.3	-163.6	-174	177.2	-178.3	1.4	111.6	Q100 R187 M188	R98-Q100 WeakPolarHBondContact O-CG 3.37Å; R98-Q100 PolarHBondContact O-N 2.86Å; R98-Q100 VanDerWaalsContact O-N 3.16Å; R98-R187 CarbonylContact C-O 3.53Å; R98-R187 HydrophobicContact CB-CG 4.11Å; R98-R187 PolarHBondContact N-O 3.5Å; R98-M188 VanDerWaalsContact O-CA 3.23Å; R98-M188 WeakPolarHBondContact O-CA 3.48Å
99	L	90.6	Very high	94.7	Very high	46 Å²	46	47.7 Å²	47.7	24%	0.241	24%	0.235	C	C	.	.			trans	-51.1	122.4	-171.7	-169.6	65.7	0	0	0	112.2	I53 V104 M188 F220	I53-L99 HydrophobicContact CD1-CB 4.47Å; L99-V104 HydrophobicContact CD1-CG2 3.83Å; L99-M188 CarbonylContact C-O 3.43Å; L99-M188 WeakPolarHBondContact CA-O 3.46Å; L99-F220 HydrophobicContact CD2-CE1 4.49Å
100	Q	93.3	Very high	94.7	Very high	54 Å²	54	45 Å²	45	25%	0.252	22%	0.224	S	C	.	.			trans	-132.4	120.7	177.6	-73.6	-177.9	33.2	0	0	109.7	R98 T102 T103 V104 M188	R98-Q100 WeakPolarHBondContact O-CG 3.37Å; R98-Q100 PolarHBondContact O-N 2.86Å; R98-Q100 VanDerWaalsContact O-N 3.16Å; Q100-T102 PolarHBondContact O-N 2.73Å; Q100-T103 PolarHBondContact O-N 3.24Å; Q100-T103 VanDerWaalsContact O-N 3.15Å; Q100-V104 WeakPolarHBondContact O-CG2 3.24Å; Q100-V104 PolarHBondContact O-N 2.7Å; Q100-V104 VanDerWaalsContact O-N 3.09Å; Q100-M188 HydrophobicContact CB-CB 4.5Å; Q100-M188 HydrophobicContact CB-CE 4.39Å; Q100-M188 HydrophobicContact CG-CE 4.39Å; Q100-M188 PolarHBondContact N-O 2.92Å
101	L	92.6	Very high	94.6	Very high	67 Å²	67	42.9 Å²	42.9	35%	0.351	21%	0.205	S	C	.	.	H	α-helix	trans	-60.3	-31.5	-177.8	-174.3	59.9	0	0	0	112.2	Y40 T103 V104 R105	Y40-L101 HydrophobicContact CD1-CD1 3.69Å; Y40-L101 HydrophobicContact CE1-CD1 4.29Å; Y40-L101 HydrophobicContact CG-CD1 4.35Å; L101-T103 PolarHBondContact O-N 2.84Å; L101-V104 HydrophobicContact CD1-CB 4.34Å; L101-V104 HydrophobicContact CD1-CG1 4.18Å; L101-V104 WeakPolarHBondContact O-CB 3.27Å; L101-V104 PolarHBondContact O-N 2.83Å; L101-R105 HydrophobicContact CD1-CG 4.27Å; L101-R105 HydrophobicContact CG-CG 4.25Å; L101-R105 WeakPolarHBondContact O-CB 3.15Å; L101-R105 WeakPolarHBondContact O-CG 3.43Å; L101-R105 PolarHBondContact O-N 3.26Å
102	T	95.4	Very high	94.6	Very high	99 Å²	99	42.6 Å²	42.6	61%	0.607	20%	0.203	S	C	*	.	H	α-helix	trans	-58.5	-47.7	176	47	0	0	0	0	112.3	Q100 R105 F106	Q100-T102 PolarHBondContact O-N 2.73Å; T102-R105 PolarHBondContact O-N 2.76Å; T102-F106 PolarHBondContact O-N 3.13Å; T102-F106 VanDerWaalsContact O-N 3.09Å
103	T	96.3	Very high	94.6	Very high	14 Å²	14	46.8 Å²	46.8	9%	0.086	22%	0.221	C	C	.	.	H	α-helix	trans	-70.2	-38.6	177.5	-53.8	0	0	0	0	111.7	Q100 L101 R105 F106 F107 M185 M188	Q100-T103 PolarHBondContact O-N 3.24Å; Q100-T103 VanDerWaalsContact O-N 3.15Å; L101-T103 PolarHBondContact O-N 2.84Å; T103-R105 VanDerWaalsContact C-N 3.31Å; T103-R105 PolarHBondContact O-N 2.94Å; T103-F106 WeakPolarHBondContact O-CB 3.41Å; T103-F106 PolarHBondContact O-N 3.17Å; T103-F106 VanDerWaalsContact O-N 3.15Å; T103-F107 HydrophobicContact CG2-CD2 4.03Å; T103-F107 HydrophobicContact CG2-CE2 3.91Å; T103-F107 WeakPolarHBondContact O-CD2 3.32Å; T103-F107 PolarHBondContact O-N 3.15Å; T103-M185 HydrophobicContact CG2-CB 4.17Å; T103-M185 HydrophobicContact CG2-CE 4.3Å; T103-M188 HydrophobicContact CG2-CB 3.93Å; T103-M188 WeakPolarHBondContact OG1-CE 3.44Å
104	V	96.3	Very high	94.5	Very high	9 Å²	9	45.3 Å²	45.3	6%	0.055	22%	0.216	C	C	.	.	H	α-helix	trans	-55.7	-46.9	172.2	165.6	0	0	0	0	111	L99 Q100 L101 F106 F107 A108 Y161 L167	L99-V104 HydrophobicContact CD1-CG2 3.83Å; Q100-V104 WeakPolarHBondContact O-CG2 3.24Å; Q100-V104 PolarHBondContact O-N 2.7Å; Q100-V104 VanDerWaalsContact O-N 3.09Å; L101-V104 HydrophobicContact CD1-CB 4.34Å; L101-V104 HydrophobicContact CD1-CG1 4.18Å; L101-V104 WeakPolarHBondContact O-CB 3.27Å; L101-V104 PolarHBondContact O-N 2.83Å; V104-F106 VanDerWaalsContact C-N 3.32Å; V104-F106 PolarHBondContact O-N 3.22Å; V104-F107 PolarHBondContact O-N 3.26Å; V104-F107 VanDerWaalsContact O-N 3.15Å; V104-A108 PolarHBondContact O-N 3.34Å; V104-Y161 HydrophobicContact CG1-CD2 3.86Å; V104-Y161 HydrophobicContact CG1-CE2 3.97Å; V104-L167 HydrophobicContact CB-CD1 4.14Å; V104-L167 HydrophobicContact CG1-CD1 3.38Å; V104-L167 HydrophobicContact CG2-CD1 3.6Å
105	R	96.9	Very high	94.7	Very high	70 Å²	70	43 Å²	43	26%	0.264	21%	0.205	S	C	.	.	H	α-helix	trans	-64.4	-36.6	178.1	-69.4	-177	161.5	155.3	-3.7	111.9	A36 R38 L101 T102 T103 A108 F109	A36-R105 WeakPolarHBondContact CB-O 3.44Å; A36-R105 WeakPolarHBondContact O-CB 3.29Å; A36-R105 VanDerWaalsContact O-CD 3.28Å; A36-R105 WeakPolarHBondContact O-CD 3.26Å; A36-R105 WeakPolarHBondContact O-CG 3.45Å; A36-R105 PolarHBondContact O-NE 3.22Å; R38-R105 PolarHBondContact O-NH2 2.89Å; R38-R105 VanDerWaalsContact O-NH2 3.16Å; L101-R105 HydrophobicContact CD1-CG 4.27Å; L101-R105 HydrophobicContact CG-CG 4.25Å; L101-R105 WeakPolarHBondContact O-CB 3.15Å; L101-R105 WeakPolarHBondContact O-CG 3.43Å; L101-R105 PolarHBondContact O-N 3.26Å; T102-R105 PolarHBondContact O-N 2.76Å; T103-R105 VanDerWaalsContact C-N 3.31Å; T103-R105 PolarHBondContact O-N 2.94Å; R105-A108 PolarHBondContact O-N 2.92Å; R105-F109 PolarHBondContact O-N 2.67Å
106	F	96.8	Very high	94.8	Very high	102 Å²	102	45.1 Å²	45.1	45%	0.447	21%	0.214	S	C	.	.	H	α-helix	trans	-60.4	-45.2	171.3	173.3	-87.3	0	0	0	111.8	T102 T103 V104 F109 T110 M185	T102-F106 PolarHBondContact O-N 3.13Å; T102-F106 VanDerWaalsContact O-N 3.09Å; T103-F106 WeakPolarHBondContact O-CB 3.41Å; T103-F106 PolarHBondContact O-N 3.17Å; T103-F106 VanDerWaalsContact O-N 3.15Å; V104-F106 VanDerWaalsContact C-N 3.32Å; V104-F106 PolarHBondContact O-N 3.22Å; F106-F109 PolarHBondContact O-N 3.16Å; F106-T110 HydrophobicContact CD1-CG2 4.26Å; F106-T110 HydrophobicContact CD2-CG2 4.38Å; F106-T110 HydrophobicContact CE1-CG2 3.73Å; F106-T110 HydrophobicContact CE2-CG2 3.9Å; F106-T110 HydrophobicContact CZ-CG2 3.56Å; F106-T110 WeakPolarHBondContact O-CG2 3.39Å; F106-T110 PolarHBondContact O-N 2.85Å; F106-T110 PolarHBondContact O-OG1 3.38Å; F106-M185 HydrophobicContact CD1-CE 3.27Å; F106-M185 HydrophobicContact CE1-CE 3.2Å; F106-M185 HydrophobicContact CG-CE 4.18Å; F106-M185 HydrophobicContact CZ-CE 4.04Å
107	F	96.5	Very high	94.8	Very high	33 Å²	33	48.8 Å²	48.8	15%	0.145	24%	0.236	C	C	.	.	H	α-helix	trans	-63.6	-43.6	173.9	-84	-68.6	0	0	0	112	T103 V104 F109 T110 L111 L154 M185 L186 S189	T103-F107 HydrophobicContact CG2-CD2 4.03Å; T103-F107 HydrophobicContact CG2-CE2 3.91Å; T103-F107 WeakPolarHBondContact O-CD2 3.32Å; T103-F107 PolarHBondContact O-N 3.15Å; V104-F107 PolarHBondContact O-N 3.26Å; V104-F107 VanDerWaalsContact O-N 3.15Å; F107-F109 VanDerWaalsContact C-N 3.28Å; F107-F109 PolarHBondContact O-N 3.16Å; F107-T110 WeakPolarHBondContact CA-OG1 3.25Å; F107-T110 PolarHBondContact O-N 2.7Å; F107-T110 PolarHBondContact O-OG1 3.22Å; F107-L111 HydrophobicContact CB-CD1 4.19Å; F107-L111 HydrophobicContact CD1-CD1 4.36Å; F107-L111 HydrophobicContact CD1-CG 4.4Å; F107-L111 WeakPolarHBondContact O-CB 3.22Å; F107-L111 VanDerWaalsContact O-CG 3.22Å; F107-L111 WeakPolarHBondContact O-CG 3.17Å; F107-L111 PolarHBondContact O-N 3Å; F107-L154 HydrophobicContact CE1-CD2 4.45Å; F107-M185 HydrophobicContact CE2-CB 3.86Å; F107-M185 HydrophobicContact CE2-CE 4.34Å; F107-M185 HydrophobicContact CZ-CB 3.93Å; F107-M185 HydrophobicContact CZ-CE 4.4Å; F107-L186 HydrophobicContact CZ-CD2 4.16Å; F107-S189 WeakPolarHBondContact CD2-OG 3.34Å; F107-S189 WeakPolarHBondContact CE2-OG 3.37Å
108	A	96.8	Very high	94.8	Very high	4 Å²	4	48.9 Å²	48.9	3%	0.033	24%	0.237	C	C	.	.	H	α-helix	trans	-56.1	-43.1	176.2	0	0	0	0	0	111.9	Y35 A36 V104 R105 S112 Y161	Y35-A108 HydrophobicContact CE1-CB 4.05Å; A36-A108 HydrophobicContact CB-CB 4.3Å; V104-A108 PolarHBondContact O-N 3.34Å; R105-A108 PolarHBondContact O-N 2.92Å; A108-S112 WeakPolarHBondContact O-CB 3.12Å; A108-S112 PolarHBondContact O-N 2.69Å; A108-S112 VanDerWaalsContact O-N 3.15Å; A108-Y161 HydrophobicContact CB-CD1 3.77Å; A108-Y161 HydrophobicContact CB-CE1 3.54Å; A108-Y161 HydrophobicContact CB-CG 4.48Å
109	F	97.1	Very high	95	Very high	65 Å²	65	42.9 Å²	42.9	29%	0.285	21%	0.214	S	C	.	.	H	α-helix	trans	-64.9	-51.5	175.8	178.2	-101	0	0	0	112.6	D32 L33 A36 R105 F106 F107 K113	D32-F109 HydrophobicContact CB-CD2 3.68Å; D32-F109 HydrophobicContact CB-CE2 3.73Å; L33-F109 HydrophobicContact CB-CD2 4.46Å; L33-F109 HydrophobicContact CB-CE2 4.22Å; A36-F109 HydrophobicContact CB-CB 3.7Å; R105-F109 PolarHBondContact O-N 2.67Å; F106-F109 PolarHBondContact O-N 3.16Å; F107-F109 VanDerWaalsContact C-N 3.28Å; F107-F109 PolarHBondContact O-N 3.16Å; F109-K113 HydrophobicContact CE1-CD 4.11Å; F109-K113 HydrophobicContact CZ-CD 4.18Å; F109-K113 PolarHBondContact O-N 3.13Å
110	T	95.4	Very high	95.2	Very high	32 Å²	32	46.5 Å²	46.5	20%	0.196	23%	0.225	C	C	.	.	H	α-helix	trans	-70.1	-45.2	-174.7	50.5	0	0	0	0	112.2	F106 F107 S112 K113 I114	F106-T110 HydrophobicContact CD1-CG2 4.26Å; F106-T110 HydrophobicContact CD2-CG2 4.38Å; F106-T110 HydrophobicContact CE1-CG2 3.73Å; F106-T110 HydrophobicContact CE2-CG2 3.9Å; F106-T110 HydrophobicContact CZ-CG2 3.56Å; F106-T110 WeakPolarHBondContact O-CG2 3.39Å; F106-T110 PolarHBondContact O-N 2.85Å; F106-T110 PolarHBondContact O-OG1 3.38Å; F107-T110 WeakPolarHBondContact CA-OG1 3.25Å; F107-T110 PolarHBondContact O-N 2.7Å; F107-T110 PolarHBondContact O-OG1 3.22Å; T110-S112 VanDerWaalsContact C-N 3.33Å; T110-S112 PolarHBondContact O-N 3.19Å; T110-K113 WeakPolarHBondContact O-CB 3.46Å; T110-K113 PolarHBondContact O-N 2.8Å; T110-I114 WeakPolarHBondContact O-CG1 3.34Å; T110-I114 PolarHBondContact O-N 3.26Å
111	L	95.6	Very high	95.4	Very high	15 Å²	15	44.7 Å²	44.7	8%	0.079	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-38.2	176.4	-65.3	175.2	0	0	0	111.5	F107 K113 I114 F115 L154 Y158	F107-L111 HydrophobicContact CB-CD1 4.19Å; F107-L111 HydrophobicContact CD1-CD1 4.36Å; F107-L111 HydrophobicContact CD1-CG 4.4Å; F107-L111 WeakPolarHBondContact O-CB 3.22Å; F107-L111 VanDerWaalsContact O-CG 3.22Å; F107-L111 WeakPolarHBondContact O-CG 3.17Å; F107-L111 PolarHBondContact O-N 3Å; L111-K113 VanDerWaalsContact C-N 3.28Å; L111-K113 PolarHBondContact O-N 2.8Å; L111-I114 PolarHBondContact O-N 2.53Å; L111-F115 HydrophobicContact CB-CD2 4.49Å; L111-F115 HydrophobicContact CB-CE1 4.4Å; L111-F115 HydrophobicContact CB-CE2 4.12Å; L111-F115 HydrophobicContact CB-CZ 4.08Å; L111-F115 HydrophobicContact CD1-CZ 4.47Å; L111-F115 HydrophobicContact CD2-CE1 4Å; L111-F115 HydrophobicContact CD2-CZ 3.96Å; L111-F115 HydrophobicContact CG-CZ 4.4Å; L111-F115 WeakPolarHBondContact O-CB 3.44Å; L111-F115 VanDerWaalsContact O-CG 3.23Å; L111-F115 WeakPolarHBondContact O-CG 3.23Å; L111-F115 PolarHBondContact O-N 3.33Å; L111-L154 HydrophobicContact CD1-CB 4.17Å; L111-L154 HydrophobicContact CD2-CB 4.44Å; L111-L154 HydrophobicContact CD2-CD1 4.31Å; L111-Y158 HydrophobicContact CB-CD2 3.84Å; L111-Y158 HydrophobicContact CB-CE2 4.24Å; L111-Y158 HydrophobicContact CD1-CD2 4.44Å
112	S	95.8	Very high	95.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-55.9	-44.1	173.8	-175.5	0	0	0	0	111.7	D32 A108 T110 K116	D32-S112 WeakPolarHBondContact OD1-CB 3.17Å; D32-S112 PolarHBondContact OD1-OG 3.46Å; A108-S112 WeakPolarHBondContact O-CB 3.12Å; A108-S112 PolarHBondContact O-N 2.69Å; A108-S112 VanDerWaalsContact O-N 3.15Å; T110-S112 VanDerWaalsContact C-N 3.33Å; T110-S112 PolarHBondContact O-N 3.19Å; S112-K116 WeakPolarHBondContact O-CB 3.39Å; S112-K116 WeakPolarHBondContact O-CE 3.35Å; S112-K116 VanDerWaalsContact O-CG 3.25Å; S112-K116 WeakPolarHBondContact O-CG 3.37Å; S112-K116 PolarHBondContact O-N 3.29Å; S112-K116 VanDerWaalsContact O-N 3.13Å
113	K	94.2	Very high	95.8	Very high	90 Å²	90	37.5 Å²	37.5	39%	0.391	18%	0.177	S	C	.	.	H	α-helix	trans	-66.2	-47.1	176.6	-70.2	-175.8	178.5	-58.8	0	112.4	D32 F109 T110 L111 T117	D32-K113 WeakPolarHBondContact OD2-CG 3.44Å; D32-K113 IonicContact OD2-NZ 3.89Å; D32-K113 PolarHBondContact OD2-NZ 3.14Å; F109-K113 HydrophobicContact CE1-CD 4.11Å; F109-K113 HydrophobicContact CZ-CD 4.18Å; F109-K113 PolarHBondContact O-N 3.13Å; T110-K113 WeakPolarHBondContact O-CB 3.46Å; T110-K113 PolarHBondContact O-N 2.8Å; L111-K113 VanDerWaalsContact C-N 3.28Å; L111-K113 PolarHBondContact O-N 2.8Å; K113-T117 WeakPolarHBondContact O-CB 3.44Å; K113-T117 PolarHBondContact O-N 2.87Å; K113-T117 VanDerWaalsContact O-N 3.16Å; K113-T117 PolarHBondContact O-OG1 3.21Å
114	I	93	Very high	95.9	Very high	62 Å²	62	36.9 Å²	36.9	32%	0.318	17%	0.173	S	C	.	.	H	α-helix	trans	-60.7	-49	-179.3	-68.8	167.6	0	0	0	109.9	T110 L111 T117 L118 L302	T110-I114 WeakPolarHBondContact O-CG1 3.34Å; T110-I114 PolarHBondContact O-N 3.26Å; L111-I114 PolarHBondContact O-N 2.53Å; I114-T117 PolarHBondContact O-N 3.24Å; I114-T117 VanDerWaalsContact O-N 3.16Å; I114-L118 HydrophobicContact CG2-CD1 3.49Å; I114-L118 VanDerWaalsContact CG2-CD1 3.49Å; I114-L118 HydrophobicContact CG2-CG 4.23Å; I114-L118 WeakPolarHBondContact O-CG 3.4Å; I114-L118 PolarHBondContact O-N 2.94Å; I114-L302 HydrophobicContact CG2-CD2 4.48Å
115	F	95.8	Very high	96	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.009	17%	0.171	C	C	.	.	H	α-helix	trans	-67.2	-42.3	-175.9	-66.1	-6.4	0	0	0	112.7	L24 L111 T117 L118 F119 I122 M151 L155 Y158	L24-F115 HydrophobicContact CD1-CB 4.29Å; L24-F115 HydrophobicContact CD2-CB 4Å; L111-F115 HydrophobicContact CB-CD2 4.49Å; L111-F115 HydrophobicContact CB-CE1 4.4Å; L111-F115 HydrophobicContact CB-CE2 4.12Å; L111-F115 HydrophobicContact CB-CZ 4.08Å; L111-F115 HydrophobicContact CD1-CZ 4.47Å; L111-F115 HydrophobicContact CD2-CE1 4Å; L111-F115 HydrophobicContact CD2-CZ 3.96Å; L111-F115 HydrophobicContact CG-CZ 4.4Å; L111-F115 WeakPolarHBondContact O-CB 3.44Å; L111-F115 VanDerWaalsContact O-CG 3.23Å; L111-F115 WeakPolarHBondContact O-CG 3.23Å; L111-F115 PolarHBondContact O-N 3.33Å; F115-T117 PolarHBondContact O-N 2.95Å; F115-L118 PolarHBondContact O-N 3.27Å; F115-F119 HydrophobicContact CD1-CE2 4.4Å; F115-F119 PolarHBondContact O-N 3.11Å; F115-I122 HydrophobicContact CB-CD1 3.79Å; F115-I122 HydrophobicContact CD2-CD1 3.56Å; F115-I122 HydrophobicContact CE2-CD1 4.31Å; F115-I122 HydrophobicContact CG-CD1 3.77Å; F115-M151 HydrophobicContact CD1-CE 3.65Å; F115-M151 HydrophobicContact CE1-CE 3.13Å; F115-M151 HydrophobicContact CZ-CE 4.02Å; F115-L155 HydrophobicContact CE2-CD1 3.93Å; F115-L155 HydrophobicContact CZ-CD1 4.32Å; F115-Y158 AromaticContact CD2-CD1 3.76Å; F115-Y158 HydrophobicContact CD2-CD1 3.76Å; F115-Y158 HydrophobicContact CD2-CD2 4.29Å; F115-Y158 AromaticContact CD2-CE1 3.79Å; F115-Y158 HydrophobicContact CD2-CE1 3.79Å; F115-Y158 HydrophobicContact CD2-CE2 4.31Å; F115-Y158 HydrophobicContact CD2-CG 4.02Å; F115-Y158 AromaticContact CE2-CD1 3.62Å; F115-Y158 HydrophobicContact CE2-CD1 3.62Å; F115-Y158 HydrophobicContact CE2-CD2 4.04Å; F115-Y158 HydrophobicContact CE2-CE1 4.15Å; F115-Y158 AromaticContact CE2-CG 3.56Å; F115-Y158 HydrophobicContact CE2-CG 3.56Å
116	K	94.6	Very high	95.8	Very high	47 Å²	47	37 Å²	37	20%	0.204	18%	0.176	C	C	.	.	H	α-helix	trans	-62.2	-28.4	174.2	-73.1	-173.1	-59.8	-177.7	0	113.4	L24 R27 R28 D32 S112	L24-K116 HydrophobicContact CD2-CG 4.2Å; R27-K116 HydrophobicContact CB-CD 4.15Å; R27-K116 WeakPolarHBondContact O-CD 3.32Å; R27-K116 PolarHBondContact O-NZ 3.19Å; R28-K116 HydrophobicContact CG-CD 3.79Å; R28-K116 HydrophobicContact CG-CG 4.04Å; D32-K116 WeakPolarHBondContact OD1-CE 3.49Å; D32-K116 IonicContact OD1-NZ 2.65Å; D32-K116 PolarHBondContact OD1-NZ 3.36Å; D32-K116 IonicContact OD2-NZ 3.17Å; D32-K116 PolarHBondContact OD2-NZ 3.44Å; D32-K116 VanDerWaalsContact OD2-NZ 3.17Å; S112-K116 WeakPolarHBondContact O-CB 3.39Å; S112-K116 WeakPolarHBondContact O-CE 3.35Å; S112-K116 VanDerWaalsContact O-CG 3.25Å; S112-K116 WeakPolarHBondContact O-CG 3.37Å; S112-K116 PolarHBondContact O-N 3.29Å; S112-K116 VanDerWaalsContact O-N 3.13Å
117	T	93.3	Very high	95.7	Very high	79 Å²	79	35.3 Å²	35.3	49%	0.485	17%	0.17	S	C	.	.	H	α-helix	trans	-81.5	-45.9	-179.7	-56.2	0	0	0	0	111.3	K113 I114 F115 L302	K113-T117 WeakPolarHBondContact O-CB 3.44Å; K113-T117 PolarHBondContact O-N 2.87Å; K113-T117 VanDerWaalsContact O-N 3.16Å; K113-T117 PolarHBondContact O-OG1 3.21Å; I114-T117 PolarHBondContact O-N 3.24Å; I114-T117 VanDerWaalsContact O-N 3.16Å; F115-T117 PolarHBondContact O-N 2.95Å; T117-L302 HydrophobicContact CG2-CB 4.22Å; T117-L302 HydrophobicContact CG2-CD2 4.18Å; T117-L302 WeakPolarHBondContact CG2-O 3.21Å
118	L	93.1	Very high	95.7	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-80.3	-36.6	-174.4	-67.1	176.3	0	0	0	113.6	I114 F115 L273 I301 L302 Y306	I114-L118 HydrophobicContact CG2-CD1 3.49Å; I114-L118 VanDerWaalsContact CG2-CD1 3.49Å; I114-L118 HydrophobicContact CG2-CG 4.23Å; I114-L118 WeakPolarHBondContact O-CG 3.4Å; I114-L118 PolarHBondContact O-N 2.94Å; F115-L118 PolarHBondContact O-N 3.27Å; L118-L273 HydrophobicContact CD1-CD1 4.41Å; L118-L273 HydrophobicContact CD1-CD2 4.27Å; L118-L273 HydrophobicContact CD2-CD2 4.48Å; L118-I301 HydrophobicContact CD2-CG2 3.96Å; L118-I301 WeakPolarHBondContact CD2-O 3.43Å; L118-L302 HydrophobicContact CD1-CD2 4.48Å; L118-L302 HydrophobicContact CD2-CD2 3.95Å; L118-L302 HydrophobicContact CG-CD2 4.03Å; L118-Y306 HydrophobicContact CB-CD2 4.2Å; L118-Y306 HydrophobicContact CD2-CD2 3.8Å; L118-Y306 HydrophobicContact CD2-CE2 3.73Å; L118-Y306 PolarHBondContact O-N 2.66Å
119	F	95.9	Very high	95.7	Very high	6 Å²	6	34.2 Å²	34.2	3%	0.026	17%	0.165	C	C	.	.			trans	-117.7	141.2	-168.6	-56.7	-75.4	0	0	0	112	L24 R28 F115 M151 Y306 G307 I309	L24-F119 HydrophobicContact CD1-CB 4.25Å; R28-F119 PolarHBondContact NH2-O 3.12Å; F115-F119 HydrophobicContact CD1-CE2 4.4Å; F115-F119 PolarHBondContact O-N 3.11Å; F119-M151 HydrophobicContact CE2-CE 3.65Å; F119-M151 HydrophobicContact CE2-SD 4.33Å; F119-M151 HydrophobicContact CZ-CE 4.11Å; F119-M151 HydrophobicContact CZ-SD 4.29Å; F119-Y306 HydrophobicContact CE1-CG 4.36Å; F119-G307 CarbonylContact C-O 3.59Å; F119-G307 WeakPolarHBondContact CA-O 3.24Å; F119-I309 HydrophobicContact CD1-CD1 3.85Å; F119-I309 HydrophobicContact CD1-CG1 3.73Å; F119-I309 HydrophobicContact CD2-CD1 3.81Å; F119-I309 HydrophobicContact CE1-CD1 3.66Å; F119-I309 HydrophobicContact CE1-CG1 3.75Å; F119-I309 HydrophobicContact CE2-CD1 3.65Å; F119-I309 HydrophobicContact CG-CD1 3.92Å; F119-I309 HydrophobicContact CG-CG1 4.15Å; F119-I309 HydrophobicContact CZ-CD1 3.59Å; F119-I309 HydrophobicContact CZ-CG1 4.21Å
120	R	95.7	Very high	95.6	Very high	122 Å²	122	36.2 Å²	36.2	46%	0.46	18%	0.175	S	C	.	.	S	Bend	trans	-70.5	-36.8	170.7	174.2	177.8	49.7	178.7	-8.7	111.6	R28 E270 G307	R28-R120 VanDerWaalsContact CZ-O 3.27Å; R28-R120 PolarHBondContact NH1-O 3.29Å; R28-R120 PolarHBondContact NH2-O 3.18Å; R120-E270 IonicContact NH2-OE1 2.69Å; R120-E270 IonicContact NH2-OE2 2.67Å; R120-E270 PolarHBondContact NH2-OE2 2.78Å; R120-E270 VanDerWaalsContact NH2-OE2 3.16Å; R120-G307 PolarHBondContact N-O 3.22Å
121	S	96.9	Very high	95.6	Very high	17 Å²	17	37 Å²	37	12%	0.119	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	153.9	177.1	58.5	0	0	0	0	111.8	D22 S308 I309	D22-S121 WeakPolarHBondContact OD1-CA 3.48Å; D22-S121 WeakPolarHBondContact OD1-CB 3.4Å; D22-S121 WeakPolarHBondContact OD2-CB 3.28Å; S121-S308 WeakPolarHBondContact O-CA 3.32Å; S121-S308 WeakPolarHBondContact OG-CB 3.22Å; S121-I309 PolarHBondContact O-N 3.45Å
122	I	98.2	Very high	95.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	103.1	165.5	-64.3	175.8	0	0	0	106.4	D22 I23 L24 F115 V124 L155 I309	D22-I122 WeakPolarHBondContact CA-O 3.48Å; D22-I122 PolarHBondContact OD1-N 3.34Å; I23-I122 HydrophobicContact CD1-CB 4.21Å; I23-I122 HydrophobicContact CD1-CG2 3.78Å; I23-I122 HydrophobicContact CG1-CB 3.89Å; I23-I122 HydrophobicContact CG1-CG2 3.97Å; I23-I122 PolarHBondContact N-O 3.2Å; L24-I122 HydrophobicContact CD1-CB 4.33Å; L24-I122 HydrophobicContact CD1-CD1 3.87Å; L24-I122 HydrophobicContact CD1-CG1 3.69Å; L24-I122 HydrophobicContact CD2-CD1 4.08Å; L24-I122 HydrophobicContact CG-CB 4.04Å; L24-I122 HydrophobicContact CG-CD1 3.98Å; L24-I122 HydrophobicContact CG-CG1 3.89Å; F115-I122 HydrophobicContact CB-CD1 3.79Å; F115-I122 HydrophobicContact CD2-CD1 3.56Å; F115-I122 HydrophobicContact CE2-CD1 4.31Å; F115-I122 HydrophobicContact CG-CD1 3.77Å; I122-V124 HydrophobicContact CG2-CG2 4.28Å; I122-L155 HydrophobicContact CD1-CD1 4Å; I122-L155 HydrophobicContact CG2-CD1 4.1Å; I122-I309 HydrophobicContact CD1-CD1 4.34Å; I122-I309 HydrophobicContact CG1-CB 4.3Å; I122-I309 HydrophobicContact CG1-CD1 4.16Å
123	C	98.3	Very high	95.6	Very high	15 Å²	15	40.2 Å²	40.2	10%	0.101	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	122.6	-175.5	-60	0	0	0	0	109.8	F20 E21 I309 H310 V311	F20-C123 HydrophobicContact CB-CB 4.02Å; F20-C123 HydrophobicContact CD1-CB 3.97Å; F20-C123 HydrophobicContact CG-CB 4.22Å; E21-C123 CarbonylContact O-C 3.56Å; E21-C123 VanDerWaalsContact O-CA 3.24Å; E21-C123 WeakPolarHBondContact O-CA 3.13Å; C123-I309 PolarHBondContact N-O 3.1Å; C123-H310 VanDerWaalsContact CB-CE1 3.46Å; C123-H310 WeakPolarHBondContact CB-CE1 3.44Å; C123-H310 CarbonylContact O-C 3.46Å; C123-H310 WeakPolarHBondContact O-CA 3.44Å; C123-H310 PolarHBondContact SG-CE1 3.37Å; C123-V311 PolarHBondContact O-N 3.16Å
124	V	98.3	Very high	95.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	138.2	179.7	-174.1	0	0	0	0	109.8	F20 E21 I23 I122 E126 I129 I159 Y163 V311 F313	F20-V124 WeakPolarHBondContact CA-O 3.32Å; E21-V124 PolarHBondContact N-O 3.25Å; E21-V124 PolarHBondContact O-N 2.91Å; I23-V124 HydrophobicContact CD1-CG2 4.21Å; I23-V124 HydrophobicContact CG2-CB 4.36Å; I23-V124 HydrophobicContact CG2-CG2 3.94Å; I122-V124 HydrophobicContact CG2-CG2 4.28Å; V124-E126 PolarHBondContact O-N 2.8Å; V124-I129 HydrophobicContact CG1-CD1 3.86Å; V124-I129 HydrophobicContact CG1-CG1 3.74Å; V124-I159 HydrophobicContact CG1-CG2 4.06Å; V124-I159 HydrophobicContact CG2-CD1 3.83Å; V124-I159 HydrophobicContact CG2-CG1 4.07Å; V124-I159 HydrophobicContact CG2-CG2 4.17Å; V124-Y163 HydrophobicContact CB-CE2 4.26Å; V124-Y163 HydrophobicContact CG1-CE2 4.04Å; V124-V311 WeakPolarHBondContact CA-O 3.38Å; V124-V311 HydrophobicContact CG2-CB 4.45Å; V124-F313 HydrophobicContact CG1-CD2 4Å; V124-F313 HydrophobicContact CG1-CE2 3.85Å
125	N	97.2	Very high	95.7	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	119	179.5	66.6	-47.3	0	0	0	112.2	D18 D19 F20 G128 I129 V311 Y312 F313	D18-N125 HydrophobicContact CB-CB 3.76Å; D18-N125 PolarHBondContact OD2-ND2 2.92Å; D19-N125 VanDerWaalsContact O-CA 3.3Å; D19-N125 WeakPolarHBondContact O-CA 3.28Å; F20-N125 HydrophobicContact CD1-CB 4.18Å; F20-N125 HydrophobicContact CE1-CB 4Å; N125-G128 VanDerWaalsContact ND2-CA 3.29Å; N125-G128 WeakPolarHBondContact ND2-CA 3.48Å; N125-G128 PolarHBondContact ND2-N 2.73Å; N125-G128 PolarHBondContact O-N 3.39Å; N125-I129 PolarHBondContact O-N 2.78Å; N125-V311 PolarHBondContact N-O 2.63Å; N125-V311 PolarHBondContact OD1-O 3.48Å; N125-Y312 HydrophobicContact CB-CD2 3.83Å; N125-Y312 HydrophobicContact CB-CE2 4.05Å; N125-Y312 VanDerWaalsContact OD1-CA 3.27Å; N125-Y312 WeakPolarHBondContact OD1-CA 3.47Å; N125-F313 PolarHBondContact ND2-O 2.9Å; N125-F313 PolarHBondContact OD1-N 3Å
126	E	94	Very high	95.5	Very high	82 Å²	82	39.4 Å²	39.4	38%	0.383	19%	0.187	S	C	.	.	H	α-helix	trans	-65.9	-46	-172.4	-64.4	-176.8	160.6	0	0	112.4	D19 E21 V124 G128 I129 Q130	D19-E126 PolarHBondContact O-N 2.75Å; E21-E126 HydrophobicContact CB-CG 3.88Å; V124-E126 PolarHBondContact O-N 2.8Å; E126-G128 PolarHBondContact O-N 3.34Å; E126-I129 PolarHBondContact O-N 2.96Å; E126-I129 VanDerWaalsContact O-N 3.11Å; E126-Q130 WeakPolarHBondContact O-CG 3.36Å; E126-Q130 PolarHBondContact O-N 2.97Å
127	E	94.8	Very high	95.4	Very high	67 Å²	67	40.2 Å²	40.2	31%	0.313	19%	0.191	S	C	.	.	H	α-helix	trans	-61.9	-30	178.5	-63	179.6	167.9	0	0	111.6	K16 D18 R131	K16-E127 IonicContact NZ-OE1 2.88Å; D18-E127 HydrophobicContact CB-CB 4.08Å; D18-E127 HydrophobicContact CB-CG 4.4Å; E127-R131 WeakPolarHBondContact O-CG 3.26Å; E127-R131 PolarHBondContact O-N 2.86Å; E127-R131 VanDerWaalsContact O-N 3.11Å; E127-R131 PolarHBondContact O-NE 2.87Å
128	G	96.2	Very high	95.3	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-68.3	-42.8	173.3	0	0	0	0	0	113	D18 N125 E126 Q130 R131 L132	D18-G128 PolarHBondContact OD2-N 2.84Å; N125-G128 VanDerWaalsContact ND2-CA 3.29Å; N125-G128 WeakPolarHBondContact ND2-CA 3.48Å; N125-G128 PolarHBondContact ND2-N 2.73Å; N125-G128 PolarHBondContact O-N 3.39Å; E126-G128 PolarHBondContact O-N 3.34Å; G128-Q130 VanDerWaalsContact C-N 3.35Å; G128-R131 PolarHBondContact O-N 2.76Å; G128-L132 WeakPolarHBondContact O-CB 3.49Å; G128-L132 PolarHBondContact O-N 3.28Å
129	I	96.6	Very high	95.2	Very high	12 Å²	12	43 Å²	43	6%	0.062	20%	0.199	C	C	.	.	H	α-helix	trans	-62.4	-42.8	175.5	-66.5	-62.3	0	0	0	110.9	V124 N125 E126 L132 Q133 I159 Y163 L165 F313	V124-I129 HydrophobicContact CG1-CD1 3.86Å; V124-I129 HydrophobicContact CG1-CG1 3.74Å; N125-I129 PolarHBondContact O-N 2.78Å; E126-I129 PolarHBondContact O-N 2.96Å; E126-I129 VanDerWaalsContact O-N 3.11Å; I129-L132 PolarHBondContact O-N 3.02Å; I129-Q133 PolarHBondContact O-N 3.42Å; I129-I159 HydrophobicContact CD1-CG2 4.05Å; I129-Y163 HydrophobicContact CD1-CD2 3.86Å; I129-Y163 HydrophobicContact CD1-CE2 4.08Å; I129-Y163 HydrophobicContact CD1-CG 4.45Å; I129-Y163 HydrophobicContact CG1-CD2 4.02Å; I129-Y163 HydrophobicContact CG1-CE2 3.92Å; I129-Y163 HydrophobicContact CG1-CG 4.4Å; I129-Y163 HydrophobicContact CG2-CD1 3.83Å; I129-Y163 HydrophobicContact CG2-CD2 4.2Å; I129-Y163 HydrophobicContact CG2-CE1 4.35Å; I129-Y163 HydrophobicContact CG2-CG 3.74Å; I129-L165 HydrophobicContact CG2-CD1 4.24Å; I129-F313 HydrophobicContact CD1-CD2 3.65Å; I129-F313 HydrophobicContact CD1-CE2 3.58Å; I129-F313 HydrophobicContact CD1-CG 4.25Å; I129-F313 HydrophobicContact CD1-CZ 4.12Å; I129-F313 HydrophobicContact CG1-CD2 4.4Å
130	Q	95.4	Very high	95.2	Very high	108 Å²	108	43 Å²	43	51%	0.505	20%	0.2	S	C	.	.	H	α-helix	trans	-62	-45.2	177	-67.3	173.5	8.7	0	0	111.9	E126 G128 L132 Q133 Q134	E126-Q130 WeakPolarHBondContact O-CG 3.36Å; E126-Q130 PolarHBondContact O-N 2.97Å; G128-Q130 VanDerWaalsContact C-N 3.35Å; Q130-L132 VanDerWaalsContact C-N 3.34Å; Q130-L132 PolarHBondContact O-N 3.32Å; Q130-Q133 PolarHBondContact O-N 3.13Å; Q130-Q134 WeakPolarHBondContact O-CG 3.49Å; Q130-Q134 PolarHBondContact O-N 2.81Å; Q130-Q134 VanDerWaalsContact O-N 3.07Å
131	R	95.9	Very high	95.2	Very high	47 Å²	47	37.5 Å²	37.5	18%	0.177	18%	0.18	C	C	.	.	H	α-helix	trans	-62.4	-40.1	174.9	-74.6	-179.8	-71.4	166.4	-3.3	112.3	D18 E127 G128 Q134 A135 Q315 P316	D18-R131 IonicContact OD1-NH2 2.87Å; D18-R131 IonicContact OD2-CZ 3.07Å; D18-R131 IonicContact OD2-NH2 3.83Å; D18-R131 PolarHBondContact OD2-NH2 3Å; E127-R131 WeakPolarHBondContact O-CG 3.26Å; E127-R131 PolarHBondContact O-N 2.86Å; E127-R131 VanDerWaalsContact O-N 3.11Å; E127-R131 PolarHBondContact O-NE 2.87Å; G128-R131 PolarHBondContact O-N 2.76Å; R131-Q134 PolarHBondContact O-N 3.2Å; R131-A135 WeakPolarHBondContact O-CB 3.43Å; R131-A135 PolarHBondContact O-N 3.36Å; R131-Q315 VanDerWaalsContact NH1-CA 3.28Å; R131-P316 HydrophobicContact CB-CG 4.33Å
132	L	96.3	Very high	95.3	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-63	-44.9	175.5	175.3	61.2	0	0	0	111.2	G128 I129 Q130 Q134 A135 I136 V141 L143 L160 L165 V263 F313	G128-L132 WeakPolarHBondContact O-CB 3.49Å; G128-L132 PolarHBondContact O-N 3.28Å; I129-L132 PolarHBondContact O-N 3.02Å; Q130-L132 VanDerWaalsContact C-N 3.34Å; Q130-L132 PolarHBondContact O-N 3.32Å; L132-Q134 VanDerWaalsContact C-N 3.32Å; L132-Q134 PolarHBondContact O-N 3.36Å; L132-A135 PolarHBondContact O-N 3.46Å; L132-I136 HydrophobicContact CD1-CD1 3.96Å; L132-I136 HydrophobicContact CD1-CG1 4.04Å; L132-I136 HydrophobicContact CG-CD1 3.9Å; L132-I136 HydrophobicContact CG-CG1 4.4Å; L132-I136 WeakPolarHBondContact O-CG1 3.41Å; L132-I136 PolarHBondContact O-N 3.21Å; L132-V141 HydrophobicContact CD1-CG1 3.93Å; L132-L143 HydrophobicContact CD1-CD2 3.82Å; L132-L143 HydrophobicContact CD2-CD2 4.34Å; L132-L160 HydrophobicContact CD2-CD1 4.06Å; L132-L165 HydrophobicContact CD2-CD1 3.84Å; L132-L165 HydrophobicContact CG-CD1 4.2Å; L132-V263 HydrophobicContact CD1-CG2 4.19Å; L132-F313 HydrophobicContact CD2-CD1 3.79Å; L132-F313 HydrophobicContact CD2-CE1 3.8Å
133	Q	94.9	Very high	95.3	Very high	82 Å²	82	36.7 Å²	36.7	38%	0.383	17%	0.174	S	C	.	.	H	α-helix	trans	-58.5	-43.9	177.5	-172.1	180	36.9	0	0	111.7	I129 Q130 Q137 L165	I129-Q133 PolarHBondContact O-N 3.42Å; Q130-Q133 PolarHBondContact O-N 3.13Å; Q133-Q137 WeakPolarHBondContact O-CG 3.27Å; Q133-Q137 PolarHBondContact O-N 2.81Å; Q133-L165 HydrophobicContact CB-CD2 3.88Å; Q133-L165 HydrophobicContact CG-CD2 3.81Å
134	Q	93.9	Very high	95.3	Very high	120 Å²	120	36 Å²	36	56%	0.561	17%	0.169	S	C	*	.	H	α-helix	trans	-62.2	-47.8	174.8	-69.9	173.8	-2.2	0	0	111.4	Q130 R131 L132 I136 Q137 E138	Q130-Q134 WeakPolarHBondContact O-CG 3.49Å; Q130-Q134 PolarHBondContact O-N 2.81Å; Q130-Q134 VanDerWaalsContact O-N 3.07Å; R131-Q134 PolarHBondContact O-N 3.2Å; L132-Q134 VanDerWaalsContact C-N 3.32Å; L132-Q134 PolarHBondContact O-N 3.36Å; Q134-I136 VanDerWaalsContact C-N 3.35Å; Q134-I136 PolarHBondContact O-N 2.78Å; Q134-Q137 PolarHBondContact O-N 3.12Å; Q134-Q137 VanDerWaalsContact O-N 3.14Å; Q134-E138 WeakPolarHBondContact O-CG 3.15Å; Q134-E138 PolarHBondContact O-N 3.27Å
135	A	94.3	Very high	95.3	Very high	7 Å²	7	36 Å²	36	6%	0.058	17%	0.169	C	C	.	.	H	α-helix	trans	-59.5	-43	179.9	0	0	0	0	0	112.5	R131 L132 Q137 E138 H139 V141 P316	R131-A135 WeakPolarHBondContact O-CB 3.43Å; R131-A135 PolarHBondContact O-N 3.36Å; L132-A135 PolarHBondContact O-N 3.46Å; A135-Q137 PolarHBondContact O-N 3.15Å; A135-E138 PolarHBondContact O-N 3.15Å; A135-E138 VanDerWaalsContact O-N 3.12Å; A135-H139 PolarHBondContact O-N 3.31Å; A135-V141 HydrophobicContact CB-CG2 4.03Å; A135-P316 HydrophobicContact CB-CB 4.1Å; A135-P316 HydrophobicContact CB-CG 3.95Å
136	I	92.7	Very high	95.3	Very high	10 Å²	10	36 Å²	36	5%	0.051	17%	0.169	C	C	.	.	H	α-helix	trans	-58.4	-37.7	177.6	-71.8	170.8	0	0	0	111.4	A43 Y45 L132 Q134 V141 L165 P222	A43-I136 WeakPolarHBondContact O-CG2 3.22Å; Y45-I136 VanDerWaalsContact CA-O 3.29Å; Y45-I136 WeakPolarHBondContact CA-O 3.27Å; L132-I136 HydrophobicContact CD1-CD1 3.96Å; L132-I136 HydrophobicContact CD1-CG1 4.04Å; L132-I136 HydrophobicContact CG-CD1 3.9Å; L132-I136 HydrophobicContact CG-CG1 4.4Å; L132-I136 WeakPolarHBondContact O-CG1 3.41Å; L132-I136 PolarHBondContact O-N 3.21Å; Q134-I136 VanDerWaalsContact C-N 3.35Å; Q134-I136 PolarHBondContact O-N 2.78Å; I136-V141 HydrophobicContact CB-CG2 4.4Å; I136-V141 HydrophobicContact CG1-CB 4.31Å; I136-V141 HydrophobicContact CG1-CG2 3.8Å; I136-L165 HydrophobicContact CD1-CB 4.43Å; I136-P222 HydrophobicContact CD1-CG 4.2Å; I136-P222 HydrophobicContact CG1-CG 4.33Å
137	Q	90.9	Very high	95.3	Very high	64 Å²	64	33 Å²	33	30%	0.299	16%	0.155	S	C	.	.	H	α-helix	trans	-75.5	-26.7	179.6	-67.4	177.4	12.9	0	0	112.7	A43 K46 Q133 Q134 A135	A43-Q137 HydrophobicContact CB-CG 4.03Å; K46-Q137 VanDerWaalsContact CB-O 3.3Å; K46-Q137 WeakPolarHBondContact CB-O 3.41Å; K46-Q137 WeakPolarHBondContact CD-O 3.42Å; K46-Q137 WeakPolarHBondContact CG-O 3.28Å; K46-Q137 PolarHBondContact N-O 2.99Å; Q133-Q137 WeakPolarHBondContact O-CG 3.27Å; Q133-Q137 PolarHBondContact O-N 2.81Å; Q134-Q137 PolarHBondContact O-N 3.12Å; Q134-Q137 VanDerWaalsContact O-N 3.14Å; A135-Q137 PolarHBondContact O-N 3.15Å
138	E	91.3	Very high	95.2	Very high	106 Å²	106	30.5 Å²	30.5	50%	0.495	14%	0.143	S	C	.	.	H	α-helix	trans	-96.1	-41	-171.6	-70.9	-170.5	167	0	0	114.6	Y45 Q134 A135	Y45-E138 VanDerWaalsContact CE2-O 3.25Å; Y45-E138 WeakPolarHBondContact CE2-O 3.37Å; Q134-E138 WeakPolarHBondContact O-CG 3.15Å; Q134-E138 PolarHBondContact O-N 3.27Å; A135-E138 PolarHBondContact O-N 3.15Å; A135-E138 VanDerWaalsContact O-N 3.12Å
139	H	92.3	Very high	95.1	Very high	37 Å²	37	30.5 Å²	30.5	17%	0.171	14%	0.142	C	C	.	.	S	Bend	trans	-146.3	157	-174	-62.4	-33.6	0	0	0	111	A135 V141 F258 D259	A135-H139 PolarHBondContact O-N 3.31Å; H139-V141 PolarHBondContact O-N 2.85Å; H139-F258 AromaticContact CE1-CD1 3.69Å; H139-D259 IonicContact CD2-OD2 3.98Å
140	P	94.6	Very high	94.6	Very high	6 Å²	6	32.1 Å²	32.1	4%	0.039	15%	0.148	C	C	.	.			trans	-53.6	132.6	169.2	-26.3	35	0	0	0	111.9	L216 V257 S261	P140-L216 HydrophobicContact CB-CD2 3.95Å; P140-L216 WeakPolarHBondContact CB-O 3.45Å; P140-L216 WeakPolarHBondContact CG-O 3.25Å; P140-V257 HydrophobicContact CG-CG1 4.41Å; P140-S261 PolarHBondContact O-N 2.85Å
141	V	96.3	Very high	94.5	Very high	6 Å²	6	27.8 Å²	27.8	4%	0.036	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	137.4	-175.8	172.3	0	0	0	0	111.1	L132 A135 I136 H139 L143 P222 V223 S261 V263	L132-V141 HydrophobicContact CD1-CG1 3.93Å; A135-V141 HydrophobicContact CB-CG2 4.03Å; I136-V141 HydrophobicContact CB-CG2 4.4Å; I136-V141 HydrophobicContact CG1-CB 4.31Å; I136-V141 HydrophobicContact CG1-CG2 3.8Å; H139-V141 PolarHBondContact O-N 2.85Å; V141-L143 HydrophobicContact CG1-CD2 3.94Å; V141-L143 HydrophobicContact CG1-CG 4.31Å; V141-P222 HydrophobicContact CB-CB 4.23Å; V141-P222 HydrophobicContact CG1-CB 4.19Å; V141-P222 WeakPolarHBondContact O-CA 3.45Å; V141-V223 PolarHBondContact O-N 3.3Å; V141-S261 WeakPolarHBondContact CA-O 3.48Å; V141-V263 HydrophobicContact CG1-CG2 3.87Å
142	V	98.2	Very high	94.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	116.9	168.5	179.8	0	0	0	0	108.8	L144 L216 V223 F225 V248 V260 S261 L262 V263	V142-L144 HydrophobicContact CG1-CD2 3.6Å; V142-L144 HydrophobicContact CG1-CG 4.03Å; V142-L216 HydrophobicContact CG2-CD2 3.75Å; V142-V223 CarbonylContact C-O 3.54Å; V142-V223 VanDerWaalsContact CA-O 3.22Å; V142-V223 WeakPolarHBondContact CA-O 3.48Å; V142-F225 HydrophobicContact CG1-CD1 3.96Å; V142-F225 HydrophobicContact CG1-CE1 3.34Å; V142-F225 HydrophobicContact CG1-CZ 4.09Å; V142-V248 HydrophobicContact CG2-CB 4.04Å; V142-V248 HydrophobicContact CG2-CG1 4.27Å; V142-V248 HydrophobicContact CG2-CG2 4.24Å; V142-V260 HydrophobicContact CG2-CG1 3.75Å; V142-S261 PolarHBondContact N-O 3.46Å; V142-L262 HydrophobicContact CB-CD2 4.06Å; V142-L262 HydrophobicContact CG1-CD2 4.4Å; V142-L262 HydrophobicContact CG2-CD2 4.33Å; V142-V263 PolarHBondContact O-N 2.95Å
143	L	98.6	Very high	94.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	128.4	174.1	-59.9	176.4	0	0	0	109.8	L132 V141 P145 V156 L160 P168 P222 V223 E224 F225 V263	L132-L143 HydrophobicContact CD1-CD2 3.82Å; L132-L143 HydrophobicContact CD2-CD2 4.34Å; V141-L143 HydrophobicContact CG1-CD2 3.94Å; V141-L143 HydrophobicContact CG1-CG 4.31Å; L143-P145 VanDerWaalsContact C-CD 3.42Å; L143-P145 VanDerWaalsContact O-CD 3.32Å; L143-P145 WeakPolarHBondContact O-CD 3.39Å; L143-V156 HydrophobicContact CD1-CG1 3.93Å; L143-L160 HydrophobicContact CD1-CD2 3.62Å; L143-P168 HydrophobicContact CD1-CB 4.05Å; L143-P168 HydrophobicContact CD1-CG 4.31Å; L143-P222 HydrophobicContact CD1-CB 4.25Å; L143-P222 HydrophobicContact CG-CB 4.25Å; L143-V223 PolarHBondContact N-O 2.84Å; L143-E224 HydrophobicContact CB-CB 4.2Å; L143-E224 HydrophobicContact CB-CG 4.23Å; L143-E224 WeakPolarHBondContact O-CA 3.31Å; L143-F225 PolarHBondContact O-N 2.83Å; L143-V263 HydrophobicContact CD2-CB 4.01Å; L143-V263 HydrophobicContact CD2-CG1 4.29Å; L143-V263 HydrophobicContact CD2-CG2 4.48Å
144	L	98.6	Very high	94.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	77.1	-177	-57.9	173.5	0	0	0	109.2	V142 F225 L227 L262 V263 V265 L358 Q362	V142-L144 HydrophobicContact CG1-CD2 3.6Å; V142-L144 HydrophobicContact CG1-CG 4.03Å; L144-F225 HydrophobicContact CD2-CD1 4.14Å; L144-F225 HydrophobicContact CD2-CD2 4.04Å; L144-F225 HydrophobicContact CD2-CE1 3.74Å; L144-F225 HydrophobicContact CD2-CE2 3.62Å; L144-F225 HydrophobicContact CD2-CG 4.29Å; L144-F225 HydrophobicContact CD2-CZ 3.45Å; L144-F225 VanDerWaalsContact CD2-CZ 3.45Å; L144-L227 HydrophobicContact CB-CD1 4.31Å; L144-L227 HydrophobicContact CB-CG 4.31Å; L144-L227 HydrophobicContact CD1-CD1 4.12Å; L144-L227 HydrophobicContact CD1-CD2 4.32Å; L144-L227 HydrophobicContact CD1-CG 4.28Å; L144-L227 HydrophobicContact CD2-CD2 4.1Å; L144-L227 HydrophobicContact CD2-CG 4.06Å; L144-L227 HydrophobicContact CG-CG 4.45Å; L144-L262 HydrophobicContact CD1-CB 4.12Å; L144-L262 HydrophobicContact CD1-CD2 4.39Å; L144-V263 PolarHBondContact N-O 3.33Å; L144-V265 PolarHBondContact O-N 2.85Å; L144-L358 HydrophobicContact CD1-CD1 3.76Å; L144-L358 HydrophobicContact CD1-CD2 4.23Å; L144-L358 HydrophobicContact CD1-CG 4.39Å; L144-Q362 PolarHBondContact O-NE2 2.83Å
145	P	98.3	Very high	94.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	151.3	175.6	26.7	-32.1	0	0	0	113.5	L143 V156 E224 F226 V265 I267 Q362	L143-P145 VanDerWaalsContact C-CD 3.42Å; L143-P145 VanDerWaalsContact O-CD 3.32Å; L143-P145 WeakPolarHBondContact O-CD 3.39Å; P145-V156 HydrophobicContact CB-CG2 4.23Å; P145-E224 HydrophobicContact CG-CG 3.92Å; P145-F226 HydrophobicContact CB-CD1 4.25Å; P145-F226 HydrophobicContact CB-CE1 3.9Å; P145-F226 HydrophobicContact CG-CD1 3.76Å; P145-F226 HydrophobicContact CG-CE1 3.47Å; P145-F226 VanDerWaalsContact CG-CE1 3.47Å; P145-F226 HydrophobicContact CG-CZ 4.07Å; P145-F226 WeakPolarHBondContact O-CD1 3.46Å; P145-V265 CarbonylContact C-O 3.6Å; P145-V265 VanDerWaalsContact CA-O 3.29Å; P145-V265 WeakPolarHBondContact CA-O 3.44Å; P145-V265 HydrophobicContact CB-CB 4.2Å; P145-I267 HydrophobicContact CB-CD1 4.12Å; P145-Q362 PolarHBondContact O-NE2 3.46Å
146	S	96.7	Very high	94.8	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.007	9%	0.085	C	C	.	.			trans	-68.7	144.4	164.1	59.6	0	0	0	0	110.3	V265 I267	S146-V265 PolarHBondContact N-O 3.38Å; S146-I267 PolarHBondContact OG-N 2.82Å
147	H	95.1	Very high	95	Very high	17 Å²	17	18.6 Å²	18.6	8%	0.079	9%	0.088	C	C	.	.			trans	-113.5	100.9	-174.4	-148.7	16.8	0	0	0	114	D152 F226 E228 R231 S232	H147-D152 VanDerWaalsContact CA-OD2 3.31Å; H147-D152 WeakPolarHBondContact CA-OD2 3.19Å; H147-D152 IonicContact CE1-OD2 2.66Å; H147-D152 IonicContact CG-OD2 3.67Å; H147-D152 IonicContact ND1-OD2 2.72Å; H147-D152 PolarHBondContact ND1-OD2 3.2Å; H147-F226 HydrophobicContact CB-CB 4.01Å; H147-F226 HydrophobicContact CB-CD1 3.33Å; H147-F226 HydrophobicContact CB-CE1 3.94Å; H147-F226 HydrophobicContact CB-CG 3.77Å; H147-F226 AromaticContact CD2-CD1 3.82Å; H147-F226 AromaticContact CD2-CD2 3.66Å; H147-F226 AromaticContact CD2-CG 3.51Å; H147-F226 AromaticContact CE1-CD2 3.89Å; H147-F226 AromaticContact CE1-CE1 3.69Å; H147-F226 AromaticContact CE1-CE2 3.53Å; H147-F226 AromaticContact CE1-CZ 3.42Å; H147-F226 VanDerWaalsContact CE1-CZ 3.42Å; H147-F226 WeakPolarHBondContact CE1-CZ 3.44Å; H147-F226 AromaticContact CG-CD1 3.27Å; H147-F226 AromaticContact CG-CD2 3.97Å; H147-F226 AromaticContact CG-CE1 3.56Å; H147-F226 AromaticContact CG-CG 3.49Å; H147-F226 VanDerWaalsContact CG-CG 3.49Å; H147-F226 AromaticContact ND1-CD1 3.48Å; H147-F226 WeakPolarHBondContact ND1-CD1 3.49Å; H147-F226 AromaticContact ND1-CE1 3.19Å; H147-F226 WeakPolarHBondContact ND1-CE1 3.42Å; H147-F226 AromaticContact ND1-CE2 3.9Å; H147-F226 AromaticContact ND1-CG 3.92Å; H147-F226 AromaticContact ND1-CZ 3.45Å; H147-F226 WeakPolarHBondContact ND1-CZ 3.26Å; H147-F226 AromaticContact NE2-CD2 3.67Å; H147-F226 AromaticContact NE2-CE2 3.71Å; H147-F226 AromaticContact NE2-CG 4Å; H147-E228 PolarHBondContact N-OE1 3.35Å; H147-R231 HydrophobicContact CB-CG 4.34Å; H147-R231 WeakPolarHBondContact CD2-CG 3.33Å; H147-R231 WeakPolarHBondContact CE1-CG 3.44Å; H147-R231 VanDerWaalsContact CG-CG 3.45Å; H147-R231 WeakPolarHBondContact ND1-CG 3.47Å; H147-R231 VanDerWaalsContact NE2-CG 3.26Å; H147-R231 WeakPolarHBondContact NE2-CG 3.19Å; H147-S232 PolarHBondContact O-N 2.96Å
148	R	93.3	Very high	95.3	Very high	16 Å²	16	15.8 Å²	15.8	6%	0.06	8%	0.075	C	C	.	.			trans	-126	-25.2	-175	-56.2	-64.6	173.9	-85.5	-7.7	113.2	D152 E228 A235 S237 Y269 Y278	R148-D152 PolarHBondContact N-OD2 3.09Å; R148-E228 IonicContact CZ-OE1 3.86Å; R148-E228 IonicContact CZ-OE2 2.93Å; R148-E228 IonicContact NH1-OE1 2.67Å; R148-E228 PolarHBondContact NH1-OE1 3.16Å; R148-E228 IonicContact NH1-OE2 3.06Å; R148-E228 PolarHBondContact NH1-OE2 3.06Å; R148-E228 IonicContact NH2-OE1 3.81Å; R148-E228 PolarHBondContact NH2-OE1 3.47Å; R148-E228 VanDerWaalsContact NH2-OE1 3.16Å; R148-E228 IonicContact NH2-OE2 3.89Å; R148-A235 PolarHBondContact NE-O 2.96Å; R148-S237 VanDerWaalsContact NH2-CA 3.33Å; R148-S237 PolarHBondContact NH2-OG 3.2Å; R148-Y269 HydrophobicContact CB-CE2 4.44Å; R148-Y278 WeakPolarHBondContact O-CE2 3.2Å; R148-Y278 PolarHBondContact O-OH 2.99Å
149	S	92.5	Very high	95.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.051	C	C	.	.	S	Bend	trans	-137.7	158.3	-176.6	179.8	0	0	0	0	112.2	M151 D152 E274	S149-M151 PolarHBondContact O-N 3.01Å; S149-M151 PolarHBondContact OG-N 3.22Å; S149-M151 VanDerWaalsContact OG-N 3.16Å; S149-D152 PolarHBondContact N-OD1 3.47Å; S149-D152 PolarHBondContact N-OD2 2.99Å; S149-D152 VanDerWaalsContact O-CG 3.23Å; S149-D152 PolarHBondContact O-N 2.82Å; S149-E274 PolarHBondContact OG-OE1 3.1Å; S149-E274 PolarHBondContact OG-OE2 3.02Å
150	Y	87.6	Confident	95.9	Very high	47 Å²	47	9 Å²	9	18%	0.184	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-17	165.8	-74.4	-75.5	0	0	0	112.6	F153 F176 R231 E274 K287 E290	Y150-F153 WeakPolarHBondContact O-CE1 3.43Å; Y150-F176 HydrophobicContact CD1-CE1 4.2Å; Y150-F176 HydrophobicContact CD1-CZ 4.2Å; Y150-F176 HydrophobicContact CE1-CE1 4.41Å; Y150-F176 HydrophobicContact CE1-CZ 4.44Å; Y150-R231 PolarHBondContact OH-NH1 2.91Å; Y150-R231 PolarHBondContact OH-NH2 3.25Å; Y150-R231 VanDerWaalsContact OH-NH2 3.07Å; Y150-E274 WeakPolarHBondContact CB-OE1 3.27Å; Y150-E274 HydrophobicContact CD2-CG 3.68Å; Y150-E274 WeakPolarHBondContact CD2-OE1 3.49Å; Y150-E274 HydrophobicContact CE2-CG 4.03Å; Y150-E274 PolarHBondContact N-OE1 2.9Å; Y150-K287 WeakPolarHBondContact OH-CE 3.29Å; Y150-K287 PolarHBondContact OH-NZ 3.31Å; Y150-E290 VanDerWaalsContact CE1-OE1 3.24Å; Y150-E290 WeakPolarHBondContact CE1-OE1 3.36Å; Y150-E290 PolarHBondContact OH-OE1 3.18Å
151	M	91.7	Very high	96	Very high	16 Å²	16	8.9 Å²	8.9	8%	0.079	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-14	-178.4	-66.1	-175.8	56.1	0	0	114.1	F115 F119 S149 F153 L154 L155 L273	F115-M151 HydrophobicContact CD1-CE 3.65Å; F115-M151 HydrophobicContact CE1-CE 3.13Å; F115-M151 HydrophobicContact CZ-CE 4.02Å; F119-M151 HydrophobicContact CE2-CE 3.65Å; F119-M151 HydrophobicContact CE2-SD 4.33Å; F119-M151 HydrophobicContact CZ-CE 4.11Å; F119-M151 HydrophobicContact CZ-SD 4.29Å; S149-M151 PolarHBondContact O-N 3.01Å; S149-M151 PolarHBondContact OG-N 3.22Å; S149-M151 VanDerWaalsContact OG-N 3.16Å; M151-F153 PolarHBondContact O-N 2.88Å; M151-L154 PolarHBondContact O-N 3.49Å; M151-L155 VanDerWaalsContact O-CB 3.32Å; M151-L155 WeakPolarHBondContact O-CB 3.39Å; M151-L155 PolarHBondContact O-N 3.01Å; M151-L273 HydrophobicContact CG-CD1 4.36Å; M151-L273 HydrophobicContact SD-CD1 3.47Å; M151-L273 WeakPolarHBondContact SD-CD1 3.33Å; M151-L273 HydrophobicContact SD-CG 4.05Å
152	D	95.7	Very high	95.9	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-56.1	-52.3	-167.1	-63	-25.3	0	0	0	113.4	H147 R148 S149 L154 L155 V156 F226 I267 Y269	H147-D152 VanDerWaalsContact CA-OD2 3.31Å; H147-D152 WeakPolarHBondContact CA-OD2 3.19Å; H147-D152 IonicContact CE1-OD2 2.66Å; H147-D152 IonicContact CG-OD2 3.67Å; H147-D152 IonicContact ND1-OD2 2.72Å; H147-D152 PolarHBondContact ND1-OD2 3.2Å; R148-D152 PolarHBondContact N-OD2 3.09Å; S149-D152 PolarHBondContact N-OD1 3.47Å; S149-D152 PolarHBondContact N-OD2 2.99Å; S149-D152 VanDerWaalsContact O-CG 3.23Å; S149-D152 PolarHBondContact O-N 2.82Å; D152-L154 PolarHBondContact O-N 2.86Å; D152-L155 WeakPolarHBondContact O-CB 3.43Å; D152-L155 PolarHBondContact O-N 3.37Å; D152-V156 WeakPolarHBondContact O-CG2 3.26Å; D152-V156 PolarHBondContact O-N 2.87Å; D152-F226 HydrophobicContact CB-CE1 3.87Å; D152-F226 HydrophobicContact CB-CZ 4.01Å; D152-I267 HydrophobicContact CB-CD1 3.81Å; D152-Y269 VanDerWaalsContact OD1-CE2 3.25Å; D152-Y269 WeakPolarHBondContact OD1-CE2 3.44Å; D152-Y269 PolarHBondContact OD1-OH 3.14Å
153	F	94	Very high	95.8	Very high	21 Å²	21	12 Å²	12	9%	0.092	6%	0.055	C	C	.	.	H	α-helix	trans	-69.1	-34.2	-177.9	63.7	-90	0	0	0	112.6	Y150 M151 L155 S157 I170 F176 L186 E224 F226	Y150-F153 WeakPolarHBondContact O-CE1 3.43Å; M151-F153 PolarHBondContact O-N 2.88Å; F153-L155 VanDerWaalsContact C-N 3.33Å; F153-S157 WeakPolarHBondContact O-CB 3.21Å; F153-S157 PolarHBondContact O-N 3.47Å; F153-S157 VanDerWaalsContact O-N 3.1Å; F153-S157 PolarHBondContact O-OG 3.22Å; F153-S157 VanDerWaalsContact O-OG 3.09Å; F153-I170 HydrophobicContact CB-CD1 4.28Å; F153-I170 HydrophobicContact CB-CG2 4.07Å; F153-I170 HydrophobicContact CD2-CD1 4.23Å; F153-F176 HydrophobicContact CE1-CZ 4.27Å; F153-L186 HydrophobicContact CE2-CD2 3.77Å; F153-L186 HydrophobicContact CZ-CD2 4.41Å; F153-E224 WeakPolarHBondContact CA-OE1 3.38Å; F153-E224 WeakPolarHBondContact CB-OE1 3.47Å; F153-F226 HydrophobicContact CB-CE2 4.33Å; F153-F226 HydrophobicContact CB-CZ 4Å
154	L	95.9	Very high	95.6	Very high	37 Å²	37	14.2 Å²	14.2	19%	0.194	7%	0.067	C	C	.	.	H	α-helix	trans	-66.9	-37.9	173.8	-65.3	174.6	0	0	0	110.9	F107 L111 M151 D152 Y158 L186	F107-L154 HydrophobicContact CE1-CD2 4.45Å; L111-L154 HydrophobicContact CD1-CB 4.17Å; L111-L154 HydrophobicContact CD2-CB 4.44Å; L111-L154 HydrophobicContact CD2-CD1 4.31Å; M151-L154 PolarHBondContact O-N 3.49Å; D152-L154 PolarHBondContact O-N 2.86Å; L154-Y158 VanDerWaalsContact O-CB 3.24Å; L154-Y158 WeakPolarHBondContact O-CB 3.42Å; L154-Y158 PolarHBondContact O-N 2.9Å; L154-L186 HydrophobicContact CD2-CD2 4.02Å
155	L	97.7	Very high	95.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-67.2	-46.9	178.9	178.3	63.2	0	0	0	111.1	F115 I122 M151 D152 F153 S157 Y158 I159 I267 I309 V311	F115-L155 HydrophobicContact CE2-CD1 3.93Å; F115-L155 HydrophobicContact CZ-CD1 4.32Å; I122-L155 HydrophobicContact CD1-CD1 4Å; I122-L155 HydrophobicContact CG2-CD1 4.1Å; M151-L155 VanDerWaalsContact O-CB 3.32Å; M151-L155 WeakPolarHBondContact O-CB 3.39Å; M151-L155 PolarHBondContact O-N 3.01Å; D152-L155 WeakPolarHBondContact O-CB 3.43Å; D152-L155 PolarHBondContact O-N 3.37Å; F153-L155 VanDerWaalsContact C-N 3.33Å; L155-S157 VanDerWaalsContact C-N 3.34Å; L155-S157 PolarHBondContact O-N 3.28Å; L155-Y158 PolarHBondContact O-N 3.49Å; L155-I159 HydrophobicContact CD1-CD1 3.98Å; L155-I159 HydrophobicContact CD1-CG1 4.3Å; L155-I159 HydrophobicContact CG-CD1 3.93Å; L155-I159 VanDerWaalsContact O-CG1 3.27Å; L155-I159 WeakPolarHBondContact O-CG1 3.36Å; L155-I159 PolarHBondContact O-N 2.87Å; L155-I267 HydrophobicContact CD2-CG2 3.83Å; L155-I309 HydrophobicContact CD2-CD1 4.26Å; L155-I309 HydrophobicContact CD2-CG2 3.78Å; L155-V311 HydrophobicContact CD2-CG2 3.7Å; L155-V311 HydrophobicContact CG-CG2 4.23Å
156	V	98.3	Very high	95.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.1	-47.6	175.7	175.1	0	0	0	0	110.2	L143 P145 D152 Y158 I159 L160 E224 I267	L143-V156 HydrophobicContact CD1-CG1 3.93Å; P145-V156 HydrophobicContact CB-CG2 4.23Å; D152-V156 WeakPolarHBondContact O-CG2 3.26Å; D152-V156 PolarHBondContact O-N 2.87Å; V156-Y158 PolarHBondContact O-N 2.79Å; V156-I159 PolarHBondContact O-N 2.96Å; V156-L160 HydrophobicContact CG1-CD1 4.12Å; V156-L160 WeakPolarHBondContact O-CD1 3.41Å; V156-L160 PolarHBondContact O-N 2.92Å; V156-E224 WeakPolarHBondContact CG1-OE2 3.32Å; V156-I267 HydrophobicContact CG2-CD1 4.13Å
157	S	97.5	Very high	95.1	Very high	17 Å²	17	15 Å²	15	12%	0.119	7%	0.072	C	C	.	.	H	α-helix	trans	-61.5	-40.6	176.6	-67	0	0	0	0	112.9	F153 L155 L160 Y161 L167	F153-S157 WeakPolarHBondContact O-CB 3.21Å; F153-S157 PolarHBondContact O-N 3.47Å; F153-S157 VanDerWaalsContact O-N 3.1Å; F153-S157 PolarHBondContact O-OG 3.22Å; F153-S157 VanDerWaalsContact O-OG 3.09Å; L155-S157 VanDerWaalsContact C-N 3.34Å; L155-S157 PolarHBondContact O-N 3.28Å; S157-L160 PolarHBondContact O-N 2.87Å; S157-Y161 WeakPolarHBondContact O-CB 3.23Å; S157-Y161 PolarHBondContact O-N 3.33Å; S157-L167 WeakPolarHBondContact O-CD2 3.46Å
158	Y	97.5	Very high	95.1	Very high	5 Å²	5	14.2 Å²	14.2	2%	0.02	7%	0.068	C	C	.	.	H	α-helix	trans	-63.3	-41.4	176	177.8	-94.3	0	0	0	112	I23 Y35 L111 F115 L154 L155 V156 T162	I23-Y158 HydrophobicContact CD1-CD1 4.11Å; I23-Y158 HydrophobicContact CD1-CE1 3.8Å; Y35-Y158 AromaticContact CE1-CE2 3.69Å; Y35-Y158 HydrophobicContact CE1-CE2 3.69Å; L111-Y158 HydrophobicContact CB-CD2 3.84Å; L111-Y158 HydrophobicContact CB-CE2 4.24Å; L111-Y158 HydrophobicContact CD1-CD2 4.44Å; F115-Y158 AromaticContact CD2-CD1 3.76Å; F115-Y158 HydrophobicContact CD2-CD1 3.76Å; F115-Y158 HydrophobicContact CD2-CD2 4.29Å; F115-Y158 AromaticContact CD2-CE1 3.79Å; F115-Y158 HydrophobicContact CD2-CE1 3.79Å; F115-Y158 HydrophobicContact CD2-CE2 4.31Å; F115-Y158 HydrophobicContact CD2-CG 4.02Å; F115-Y158 AromaticContact CE2-CD1 3.62Å; F115-Y158 HydrophobicContact CE2-CD1 3.62Å; F115-Y158 HydrophobicContact CE2-CD2 4.04Å; F115-Y158 HydrophobicContact CE2-CE1 4.15Å; F115-Y158 AromaticContact CE2-CG 3.56Å; F115-Y158 HydrophobicContact CE2-CG 3.56Å; L154-Y158 VanDerWaalsContact O-CB 3.24Å; L154-Y158 WeakPolarHBondContact O-CB 3.42Å; L154-Y158 PolarHBondContact O-N 2.9Å; L155-Y158 PolarHBondContact O-N 3.49Å; V156-Y158 PolarHBondContact O-N 2.79Å; Y158-T162 WeakPolarHBondContact O-CB 3.33Å; Y158-T162 PolarHBondContact O-N 3.44Å; Y158-T162 PolarHBondContact O-OG1 2.91Å
159	I	97.9	Very high	95.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-66.5	-48.4	177.4	-68.4	166.1	0	0	0	110.4	I23 V124 I129 L155 V156 Y161 T162 Y163 V311 F313	I23-I159 HydrophobicContact CD1-CG1 3.95Å; V124-I159 HydrophobicContact CG1-CG2 4.06Å; V124-I159 HydrophobicContact CG2-CD1 3.83Å; V124-I159 HydrophobicContact CG2-CG1 4.07Å; V124-I159 HydrophobicContact CG2-CG2 4.17Å; I129-I159 HydrophobicContact CD1-CG2 4.05Å; L155-I159 HydrophobicContact CD1-CD1 3.98Å; L155-I159 HydrophobicContact CD1-CG1 4.3Å; L155-I159 HydrophobicContact CG-CD1 3.93Å; L155-I159 VanDerWaalsContact O-CG1 3.27Å; L155-I159 WeakPolarHBondContact O-CG1 3.36Å; L155-I159 PolarHBondContact O-N 2.87Å; V156-I159 PolarHBondContact O-N 2.96Å; I159-Y161 VanDerWaalsContact C-N 3.3Å; I159-Y161 PolarHBondContact O-N 3.44Å; I159-T162 WeakPolarHBondContact O-CA 3.09Å; I159-T162 VanDerWaalsContact O-CB 3.26Å; I159-T162 WeakPolarHBondContact O-CB 3.46Å; I159-T162 PolarHBondContact O-N 3.45Å; I159-Y163 HydrophobicContact CG2-CD2 3.75Å; I159-Y163 HydrophobicContact CG2-CE2 3.87Å; I159-Y163 WeakPolarHBondContact O-CD2 3.28Å; I159-Y163 PolarHBondContact O-N 2.9Å; I159-V311 HydrophobicContact CD1-CB 3.82Å; I159-V311 HydrophobicContact CD1-CG1 3.86Å; I159-V311 HydrophobicContact CD1-CG2 3.59Å; I159-F313 HydrophobicContact CG2-CE2 3.83Å; I159-F313 HydrophobicContact CG2-CZ 3.97Å
160	L	97.3	Very high	95.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.6	-42.4	177.4	-93.2	58.4	0	0	0	111.4	L132 L143 V156 S157 T162 Y163 D164 L165 A166 L167 P168 F313	L132-L160 HydrophobicContact CD2-CD1 4.06Å; L143-L160 HydrophobicContact CD1-CD2 3.62Å; V156-L160 HydrophobicContact CG1-CD1 4.12Å; V156-L160 WeakPolarHBondContact O-CD1 3.41Å; V156-L160 PolarHBondContact O-N 2.92Å; S157-L160 PolarHBondContact O-N 2.87Å; L160-T162 PolarHBondContact O-N 3.4Å; L160-Y163 PolarHBondContact O-N 3.23Å; L160-D164 PolarHBondContact O-N 3.43Å; L160-L165 HydrophobicContact CB-CB 4.25Å; L160-L165 HydrophobicContact CG-CB 4.08Å; L160-L165 HydrophobicContact CG-CD1 4.42Å; L160-L165 PolarHBondContact O-N 3.2Å; L160-A166 WeakPolarHBondContact CD2-O 3.38Å; L160-L167 HydrophobicContact CB-CD2 4.39Å; L160-P168 HydrophobicContact CD2-CG 4.29Å; L160-F313 HydrophobicContact CD1-CE1 3.85Å; L160-F313 HydrophobicContact CD1-CZ 3.77Å
161	Y	96.6	Very high	95.7	Very high	4 Å²	4	12.3 Å²	12.3	2%	0.016	7%	0.065	C	C	.	.	H	α-helix	trans	-54.8	-56.1	169.9	-173.1	-101.1	0	0	0	108.9	Y35 A36 R38 Y40 V104 A108 S157 I159 Y163 D164	Y35-Y161 HydrophobicContact CE1-CD1 4.34Å; Y35-Y161 HydrophobicContact CE1-CE1 4.35Å; Y35-Y161 HydrophobicContact CE2-CD1 4.24Å; Y35-Y161 HydrophobicContact CE2-CE1 4.23Å; Y35-Y161 AromaticContact CZ-CD1 3.78Å; Y35-Y161 WeakPolarHBondContact OH-CD1 3.47Å; A36-Y161 PolarHBondContact O-OH 3.04Å; R38-Y161 PolarHBondContact NH2-O 3.21Å; Y40-Y161 AromaticContact CD2-CD2 3.88Å; Y40-Y161 HydrophobicContact CD2-CD2 3.88Å; Y40-Y161 AromaticContact CD2-CE2 3.84Å; Y40-Y161 HydrophobicContact CD2-CE2 3.84Å; Y40-Y161 AromaticContact CE2-CD2 3.94Å; Y40-Y161 HydrophobicContact CE2-CD2 3.94Å; Y40-Y161 HydrophobicContact CE2-CE2 4.35Å; Y40-Y161 HydrophobicContact CG-CD2 4.43Å; Y40-Y161 HydrophobicContact CG-CE2 4.02Å; V104-Y161 HydrophobicContact CG1-CD2 3.86Å; V104-Y161 HydrophobicContact CG1-CE2 3.97Å; A108-Y161 HydrophobicContact CB-CD1 3.77Å; A108-Y161 HydrophobicContact CB-CE1 3.54Å; A108-Y161 HydrophobicContact CB-CG 4.48Å; S157-Y161 WeakPolarHBondContact O-CB 3.23Å; S157-Y161 PolarHBondContact O-N 3.33Å; I159-Y161 VanDerWaalsContact C-N 3.3Å; I159-Y161 PolarHBondContact O-N 3.44Å; Y161-Y163 VanDerWaalsContact C-N 3.3Å; Y161-Y163 PolarHBondContact O-N 3.42Å; Y161-D164 PolarHBondContact O-N 3.02Å
162	T	95.8	Very high	95.7	Very high	16 Å²	16	12.1 Å²	12.1	10%	0.098	7%	0.065	C	C	.	.	H	α-helix	trans	-48.5	-42.1	-177.5	-56.7	0	0	0	0	113.6	I23 Y35 R38 Y158 I159 L160	I23-T162 HydrophobicContact CB-CG2 4.42Å; Y35-T162 PolarHBondContact OH-OG1 3.37Å; R38-T162 VanDerWaalsContact CZ-O 3.32Å; R38-T162 PolarHBondContact NH1-O 2.71Å; R38-T162 PolarHBondContact NH2-O 3.08Å; Y158-T162 WeakPolarHBondContact O-CB 3.33Å; Y158-T162 PolarHBondContact O-N 3.44Å; Y158-T162 PolarHBondContact O-OG1 2.91Å; I159-T162 WeakPolarHBondContact O-CA 3.09Å; I159-T162 VanDerWaalsContact O-CB 3.26Å; I159-T162 WeakPolarHBondContact O-CB 3.46Å; I159-T162 PolarHBondContact O-N 3.45Å; L160-T162 PolarHBondContact O-N 3.4Å
163	Y	95.3	Very high	95.2	Very high	54 Å²	54	13.4 Å²	13.4	21%	0.212	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	11	-180	-71	-76.9	0	0	0	114.9	E21 I23 V124 I129 I159 L160 Y161 L165	E21-Y163 PolarHBondContact OE2-OH 3.47Å; I23-Y163 HydrophobicContact CG2-CE2 3.96Å; I23-Y163 VanDerWaalsContact CG2-OH 3.27Å; I23-Y163 WeakPolarHBondContact CG2-OH 3.47Å; V124-Y163 HydrophobicContact CB-CE2 4.26Å; V124-Y163 HydrophobicContact CG1-CE2 4.04Å; I129-Y163 HydrophobicContact CD1-CD2 3.86Å; I129-Y163 HydrophobicContact CD1-CE2 4.08Å; I129-Y163 HydrophobicContact CD1-CG 4.45Å; I129-Y163 HydrophobicContact CG1-CD2 4.02Å; I129-Y163 HydrophobicContact CG1-CE2 3.92Å; I129-Y163 HydrophobicContact CG1-CG 4.4Å; I129-Y163 HydrophobicContact CG2-CD1 3.83Å; I129-Y163 HydrophobicContact CG2-CD2 4.2Å; I129-Y163 HydrophobicContact CG2-CE1 4.35Å; I129-Y163 HydrophobicContact CG2-CG 3.74Å; I159-Y163 HydrophobicContact CG2-CD2 3.75Å; I159-Y163 HydrophobicContact CG2-CE2 3.87Å; I159-Y163 WeakPolarHBondContact O-CD2 3.28Å; I159-Y163 PolarHBondContact O-N 2.9Å; L160-Y163 PolarHBondContact O-N 3.23Å; Y161-Y163 VanDerWaalsContact C-N 3.3Å; Y161-Y163 PolarHBondContact O-N 3.42Å; Y163-L165 VanDerWaalsContact C-N 3.29Å; Y163-L165 PolarHBondContact O-N 2.86Å
164	D	94.7	Very high	94.5	Very high	47 Å²	47	15.2 Å²	15.2	25%	0.251	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	42.3	-177.2	-157.5	38.9	0	0	0	112.3	Y40 T41 P42 L160 Y161	Y40-D164 WeakPolarHBondContact CA-OD1 3.39Å; Y40-D164 WeakPolarHBondContact CD2-OD1 3.48Å; T41-D164 PolarHBondContact N-OD1 3.23Å; T41-D164 PolarHBondContact OG1-OD2 2.92Å; P42-D164 VanDerWaalsContact CA-O 3.28Å; P42-D164 WeakPolarHBondContact CA-O 3.46Å; L160-D164 PolarHBondContact O-N 3.43Å; Y161-D164 PolarHBondContact O-N 3.02Å
165	L	94.8	Very high	93.5	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.01	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-103.7	152.7	174.6	-61.5	-178.2	0	0	0	110.8	Y40 I129 L132 Q133 I136 L160 Y163 L167	Y40-L165 PolarHBondContact OH-O 3.36Å; I129-L165 HydrophobicContact CG2-CD1 4.24Å; L132-L165 HydrophobicContact CD2-CD1 3.84Å; L132-L165 HydrophobicContact CG-CD1 4.2Å; Q133-L165 HydrophobicContact CB-CD2 3.88Å; Q133-L165 HydrophobicContact CG-CD2 3.81Å; I136-L165 HydrophobicContact CD1-CB 4.43Å; L160-L165 HydrophobicContact CB-CB 4.25Å; L160-L165 HydrophobicContact CG-CB 4.08Å; L160-L165 HydrophobicContact CG-CD1 4.42Å; L160-L165 PolarHBondContact O-N 3.2Å; Y163-L165 VanDerWaalsContact C-N 3.29Å; Y163-L165 PolarHBondContact O-N 2.86Å; L165-L167 PolarHBondContact O-N 3.04Å
166	A	92.8	Very high	92.2	Very high	5 Å²	5	18.6 Å²	18.6	4%	0.041	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-59.9	121.5	-180	0	0	0	0	0	110.8	P42 L44 L160 P222	P42-A166 HydrophobicContact CB-CB 4.18Å; P42-A166 VanDerWaalsContact CB-N 3.33Å; P42-A166 HydrophobicContact CG-CB 4.5Å; L44-A166 HydrophobicContact CD2-CB 4.11Å; L160-A166 WeakPolarHBondContact CD2-O 3.38Å; A166-P222 WeakPolarHBondContact O-CD 3.4Å
167	L	94.9	Very high	90.8	Very high	10 Å²	10	21.6 Å²	21.6	5%	0.052	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-59.8	141.8	176.7	-75.1	174.3	0	0	0	112	Y40 V104 S157 L160 L165 A221	Y40-L167 PolarHBondContact OH-N 3.35Å; Y40-L167 VanDerWaalsContact OH-N 3.1Å; V104-L167 HydrophobicContact CB-CD1 4.14Å; V104-L167 HydrophobicContact CG1-CD1 3.38Å; V104-L167 HydrophobicContact CG2-CD1 3.6Å; S157-L167 WeakPolarHBondContact O-CD2 3.46Å; L160-L167 HydrophobicContact CB-CD2 4.39Å; L165-L167 PolarHBondContact O-N 3.04Å; L167-A221 WeakPolarHBondContact O-CB 3.31Å
168	P	95.6	Very high	89.3	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.006	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-78	153.5	-179.3	31.1	-30.7	0	0	0	111.8	L143 L160 I170 P222 E224	L143-P168 HydrophobicContact CD1-CB 4.05Å; L143-P168 HydrophobicContact CD1-CG 4.31Å; L160-P168 HydrophobicContact CD2-CG 4.29Å; P168-I170 HydrophobicContact CB-CG1 4.39Å; P168-I170 HydrophobicContact CG-CD1 4.44Å; P168-I170 HydrophobicContact CG-CG1 4.1Å; P168-P222 CarbonylContact C-O 3.57Å; P168-P222 WeakPolarHBondContact CA-O 3.28Å; P168-P222 HydrophobicContact CB-CB 4.34Å; P168-E224 HydrophobicContact CB-CB 3.74Å; P168-E224 HydrophobicContact CG-CB 4.26Å; P168-E224 WeakPolarHBondContact CG-OE2 3.14Å
169	V	95.7	Very high	88.3	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	126.4	158.6	-67	0	0	0	0	109.6	G190 F192 M215 A221 P222 V223 E224	V169-G190 CarbonylContact C-O 3.42Å; V169-G190 WeakPolarHBondContact CA-O 3.34Å; V169-F192 HydrophobicContact CB-CD1 4.18Å; V169-F192 HydrophobicContact CB-CE1 4.36Å; V169-F192 HydrophobicContact CG2-CE1 4.3Å; V169-M215 HydrophobicContact CB-CE 4.46Å; V169-M215 HydrophobicContact CG1-CE 3.82Å; V169-M215 HydrophobicContact CG2-CE 3.91Å; V169-M215 HydrophobicContact CG2-CG 4.37Å; V169-A221 HydrophobicContact CG1-CB 4.1Å; V169-P222 PolarHBondContact N-O 2.88Å; V169-V223 HydrophobicContact CG2-CG2 3.98Å; V169-E224 PolarHBondContact O-N 3.29Å
170	I	96.1	Very high	87.6	Confident	9 Å²	9	34.6 Å²	34.6	5%	0.046	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	126.2	-162.3	-55.6	157.9	0	0	0	110	F153 P168 A172 G190 A191 F192 E224	F153-I170 HydrophobicContact CB-CD1 4.28Å; F153-I170 HydrophobicContact CB-CG2 4.07Å; F153-I170 HydrophobicContact CD2-CD1 4.23Å; P168-I170 HydrophobicContact CB-CG1 4.39Å; P168-I170 HydrophobicContact CG-CD1 4.44Å; P168-I170 HydrophobicContact CG-CG1 4.1Å; I170-A172 PolarHBondContact O-N 3.3Å; I170-G190 PolarHBondContact N-O 2.86Å; I170-A191 WeakPolarHBondContact O-CA 3.16Å; I170-F192 VanDerWaalsContact C-CE1 3.4Å; I170-F192 VanDerWaalsContact O-CD1 3.26Å; I170-F192 WeakPolarHBondContact O-CD1 3.25Å; I170-F192 PolarHBondContact O-N 3.46Å; I170-E224 HydrophobicContact CG1-CB 4.09Å
171	A	95.1	Very high	87	Confident	14 Å²	14	41 Å²	41	12%	0.116	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	109.3	170.6	0	0	0	0	0	110.1	F192 E224 F225 L244	A171-F192 HydrophobicContact CB-CE1 4.16Å; A171-F192 HydrophobicContact CB-CE2 3.78Å; A171-F192 HydrophobicContact CB-CZ 3.5Å; A171-E224 PolarHBondContact N-O 3.33Å; A171-F225 HydrophobicContact CB-CB 3.82Å; A171-L244 HydrophobicContact CB-CD1 3.77Å
172	A	90.9	Very high	86.6	Confident	11 Å²	11	43.6 Å²	43.6	9%	0.091	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	138.4	-177.4	0	0	0	0	0	111.7	I170 F176 A191 F192 F193 I194	I170-A172 PolarHBondContact O-N 3.3Å; A172-F176 HydrophobicContact CB-CD2 4.37Å; A172-A191 HydrophobicContact CB-CB 4.11Å; A172-F192 PolarHBondContact N-O 3.14Å; A172-F193 HydrophobicContact CB-CD1 3.97Å; A172-F193 HydrophobicContact CB-CE1 4.04Å; A172-F193 CarbonylContact O-C 3.56Å; A172-F193 VanDerWaalsContact O-CA 3.26Å; A172-F193 WeakPolarHBondContact O-CA 3.32Å; A172-I194 PolarHBondContact O-N 2.71Å
173	G	85.6	Confident	86.3	Confident	28 Å²	28	43 Å²	43	29%	0.289	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	146.6	174.7	0	0	0	0	0	112.3	D175 F176	G173-D175 PolarHBondContact O-N 3.39Å; G173-F176 WeakPolarHBondContact O-CD2 3.11Å; G173-F176 PolarHBondContact O-N 3.38Å
174	M	79.4	Confident	86.1	Confident	59 Å²	59	43.2 Å²	43.2	29%	0.291	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-57.3	-17.7	177.6	-83	-175.6	71.7	0	0	115.8	E94 F176 M177 G178 F193 I194 R195	E94-M174 WeakPolarHBondContact OE1-CE 3.42Å; M174-F176 PolarHBondContact O-N 2.86Å; M174-M177 WeakPolarHBondContact O-CB 3.27Å; M174-M177 PolarHBondContact O-N 3.25Å; M174-G178 PolarHBondContact O-N 3.12Å; M174-F193 HydrophobicContact CG-CB 4.41Å; M174-I194 WeakPolarHBondContact CG-O 3.42Å; M174-I194 PolarHBondContact N-O 2.86Å; M174-I194 VanDerWaalsContact N-O 3.09Å; M174-R195 HydrophobicContact CG-CG 4.5Å; M174-R195 HydrophobicContact SD-CB 4.01Å; M174-R195 HydrophobicContact SD-CG 3.23Å; M174-R195 WeakPolarHBondContact SD-CG 3.29Å
175	D	74.2	Confident	86.1	Confident	71 Å²	71	43.2 Å²	43.2	38%	0.38	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-56.5	-33.2	177	-68.3	-10.1	0	0	0	111.8	G173 G178 R196	G173-D175 PolarHBondContact O-N 3.39Å; D175-G178 PolarHBondContact O-N 3.3Å; D175-R196 IonicContact OD1-CZ 2.96Å; D175-R196 IonicContact OD1-NE 2.82Å; D175-R196 PolarHBondContact OD1-NE 3.03Å; D175-R196 IonicContact OD1-NH2 2.74Å; D175-R196 PolarHBondContact OD1-NH2 3.48Å; D175-R196 IonicContact OD2-CZ 3.28Å; D175-R196 IonicContact OD2-NE 3.24Å; D175-R196 PolarHBondContact OD2-NE 3.47Å; D175-R196 IonicContact OD2-NH2 3.3Å
176	F	71.4	Confident	86	Confident	36 Å²	36	43.6 Å²	43.6	16%	0.158	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-70.5	-30.4	175.7	-66.3	-69.5	0	0	0	113.2	Y150 F153 A172 G173 M174 G178 M179 G183 L186 F193	Y150-F176 HydrophobicContact CD1-CE1 4.2Å; Y150-F176 HydrophobicContact CD1-CZ 4.2Å; Y150-F176 HydrophobicContact CE1-CE1 4.41Å; Y150-F176 HydrophobicContact CE1-CZ 4.44Å; F153-F176 HydrophobicContact CE1-CZ 4.27Å; A172-F176 HydrophobicContact CB-CD2 4.37Å; G173-F176 WeakPolarHBondContact O-CD2 3.11Å; G173-F176 PolarHBondContact O-N 3.38Å; M174-F176 PolarHBondContact O-N 2.86Å; F176-G178 PolarHBondContact O-N 3.47Å; F176-M179 PolarHBondContact O-N 2.8Å; F176-M179 VanDerWaalsContact O-N 3.12Å; F176-G183 WeakPolarHBondContact O-CA 3.5Å; F176-L186 HydrophobicContact CB-CD1 4.3Å; F176-L186 HydrophobicContact CD1-CD1 4.3Å; F176-L186 HydrophobicContact CG-CD1 4.42Å; F176-F193 HydrophobicContact CB-CE1 3.97Å
177	M	67.1	Low	86.1	Confident	63 Å²	63	45 Å²	45	31%	0.31	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-25	175.7	-171.6	175.7	171.6	0	0	111.7	E94 M174 M179 F193	E94-M177 HydrophobicContact CG-CE 3.99Å; E94-M177 HydrophobicContact CG-SD 4.25Å; M174-M177 WeakPolarHBondContact O-CB 3.27Å; M174-M177 PolarHBondContact O-N 3.25Å; M177-M179 PolarHBondContact O-N 3.28Å; M177-F193 HydrophobicContact CB-CD1 4.22Å; M177-F193 HydrophobicContact CB-CE1 4.28Å; M177-F193 HydrophobicContact CB-CG 4.38Å; M177-F193 HydrophobicContact CB-CZ 4.49Å; M177-F193 HydrophobicContact SD-CD2 4.5Å
178	G	66.3	Low	86.1	Confident	66 Å²	66	46.1 Å²	46.1	68%	0.68	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.5	172.2	0	0	0	0	0	113.6	M174 D175 F176 K180	M174-G178 PolarHBondContact O-N 3.12Å; D175-G178 PolarHBondContact O-N 3.3Å; F176-G178 PolarHBondContact O-N 3.47Å; G178-K180 PolarHBondContact O-N 3.01Å
179	M	77.8	Confident	86	Confident	47 Å²	47	46.9 Å²	46.9	23%	0.232	26%	0.259	C	S	.	.	S	Bend	trans	-90.4	70	174.9	-62	177.2	67.2	0	0	111.1	F176 M177 I181 V182 G183 E290	F176-M179 PolarHBondContact O-N 2.8Å; F176-M179 VanDerWaalsContact O-N 3.12Å; M177-M179 PolarHBondContact O-N 3.28Å; M179-I181 VanDerWaalsContact C-N 3.3Å; M179-I181 CarbonylContact O-C 3.57Å; M179-I181 PolarHBondContact O-N 2.97Å; M179-V182 HydrophobicContact CB-CB 4.11Å; M179-V182 HydrophobicContact CE-CB 4.04Å; M179-V182 HydrophobicContact CE-CG1 4.35Å; M179-V182 HydrophobicContact CE-CG2 3.82Å; M179-V182 PolarHBondContact O-N 3.34Å; M179-G183 PolarHBondContact O-N 3.2Å; M179-E290 HydrophobicContact CG-CB 4.43Å; M179-E290 HydrophobicContact SD-CB 3.82Å
180	K	81.8	Confident	85.9	Confident	183 Å²	183	46.9 Å²	46.9	80%	0.796	26%	0.259	S	S	*	.	H	α-helix	trans	-32.6	-52.3	-169	-64.9	-171.6	179.2	-175.3	0	116.5	G178 E184	G178-K180 PolarHBondContact O-N 3.01Å; K180-E184 WeakPolarHBondContact O-CB 3.48Å; K180-E184 PolarHBondContact O-N 2.99Å; K180-E184 VanDerWaalsContact O-N 3.08Å
181	I	86.4	Confident	85.9	Confident	134 Å²	134	46.7 Å²	46.7	69%	0.687	26%	0.259	S	S	*	.	H	α-helix	trans	-68	-54.4	-179.6	-59.9	174.6	0	0	0	111.3	M179 E184 M185	M179-I181 VanDerWaalsContact C-N 3.3Å; M179-I181 CarbonylContact O-C 3.57Å; M179-I181 PolarHBondContact O-N 2.97Å; I181-E184 PolarHBondContact O-N 3.08Å; I181-M185 HydrophobicContact CG2-SD 4.31Å; I181-M185 WeakPolarHBondContact O-CG 3.44Å; I181-M185 PolarHBondContact O-N 3.42Å
182	V	86.2	Confident	85.8	Confident	59 Å²	59	46.1 Å²	46.1	36%	0.358	25%	0.253	S	S	.	.	H	α-helix	trans	-65.6	-43.1	-178	177.9	0	0	0	0	110.6	M179 E184 M185 L186	M179-V182 HydrophobicContact CB-CB 4.11Å; M179-V182 HydrophobicContact CE-CB 4.04Å; M179-V182 HydrophobicContact CE-CG1 4.35Å; M179-V182 HydrophobicContact CE-CG2 3.82Å; M179-V182 PolarHBondContact O-N 3.34Å; V182-E184 PolarHBondContact O-N 2.91Å; V182-M185 PolarHBondContact O-N 2.82Å; V182-L186 HydrophobicContact CG1-CD1 4.14Å; V182-L186 HydrophobicContact CG1-CG 4.32Å; V182-L186 VanDerWaalsContact O-CG 3.28Å; V182-L186 WeakPolarHBondContact O-CG 3.36Å; V182-L186 PolarHBondContact O-N 2.82Å
183	G	89.4	Confident	85.9	Confident	2 Å²	2	45.7 Å²	45.7	2%	0.021	25%	0.25	C	C	.	.	H	α-helix	trans	-57.2	-44.8	175.6	0	0	0	0	0	112.5	F176 M179 L186 R187 F193	F176-G183 WeakPolarHBondContact O-CA 3.5Å; M179-G183 PolarHBondContact O-N 3.2Å; G183-L186 PolarHBondContact O-N 3.07Å; G183-R187 PolarHBondContact O-N 3.41Å; G183-F193 WeakPolarHBondContact O-CZ 3.45Å
184	E	92.5	Very high	86.1	Confident	59 Å²	59	46 Å²	46	28%	0.276	24%	0.244	S	C	.	.	H	α-helix	trans	-67.2	-40	176.2	-174.9	59.9	-164.3	0	0	112	K180 I181 V182 L186 R187 M188	K180-E184 WeakPolarHBondContact O-CB 3.48Å; K180-E184 PolarHBondContact O-N 2.99Å; K180-E184 VanDerWaalsContact O-N 3.08Å; I181-E184 PolarHBondContact O-N 3.08Å; V182-E184 PolarHBondContact O-N 2.91Å; E184-L186 VanDerWaalsContact C-N 3.3Å; E184-L186 PolarHBondContact O-N 3.41Å; E184-R187 WeakPolarHBondContact O-CB 3.42Å; E184-R187 PolarHBondContact O-N 3.06Å; E184-R187 IonicContact OE2-CZ 3.17Å; E184-R187 IonicContact OE2-NH1 3.85Å; E184-R187 PolarHBondContact OE2-NH1 3.02Å; E184-M188 HydrophobicContact CG-CG 4.48Å; E184-M188 HydrophobicContact CG-SD 4.05Å; E184-M188 WeakPolarHBondContact O-CB 3.4Å; E184-M188 VanDerWaalsContact O-CG 3.24Å; E184-M188 WeakPolarHBondContact O-CG 3.48Å; E184-M188 PolarHBondContact O-N 3.4Å
185	M	93.3	Very high	86.5	Confident	47 Å²	47	46.5 Å²	46.5	23%	0.232	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-39	174.5	-67.3	-177.5	74.5	0	0	112.2	T103 F106 F107 I181 V182 M188 S189	T103-M185 HydrophobicContact CG2-CB 4.17Å; T103-M185 HydrophobicContact CG2-CE 4.3Å; F106-M185 HydrophobicContact CD1-CE 3.27Å; F106-M185 HydrophobicContact CE1-CE 3.2Å; F106-M185 HydrophobicContact CG-CE 4.18Å; F106-M185 HydrophobicContact CZ-CE 4.04Å; F107-M185 HydrophobicContact CE2-CB 3.86Å; F107-M185 HydrophobicContact CE2-CE 4.34Å; F107-M185 HydrophobicContact CZ-CB 3.93Å; F107-M185 HydrophobicContact CZ-CE 4.4Å; I181-M185 HydrophobicContact CG2-SD 4.31Å; I181-M185 WeakPolarHBondContact O-CG 3.44Å; I181-M185 PolarHBondContact O-N 3.42Å; V182-M185 PolarHBondContact O-N 2.82Å; M185-M188 CarbonylContact O-C 3.57Å; M185-M188 PolarHBondContact O-N 2.7Å; M185-S189 WeakPolarHBondContact O-CB 3.34Å; M185-S189 PolarHBondContact O-N 3.4Å; M185-S189 VanDerWaalsContact O-N 3.13Å; M185-S189 PolarHBondContact O-OG 3.22Å
186	L	93.6	Very high	86.4	Confident	11 Å²	11	52.8 Å²	52.8	6%	0.058	26%	0.261	C	S	.	.	H	α-helix	trans	-65.1	-43.5	174.1	-69.8	177.5	0	0	0	111.4	F107 F153 L154 F176 V182 G183 E184 M188 S189 G190 A191	F107-L186 HydrophobicContact CZ-CD2 4.16Å; F153-L186 HydrophobicContact CE2-CD2 3.77Å; F153-L186 HydrophobicContact CZ-CD2 4.41Å; L154-L186 HydrophobicContact CD2-CD2 4.02Å; F176-L186 HydrophobicContact CB-CD1 4.3Å; F176-L186 HydrophobicContact CD1-CD1 4.3Å; F176-L186 HydrophobicContact CG-CD1 4.42Å; V182-L186 HydrophobicContact CG1-CD1 4.14Å; V182-L186 HydrophobicContact CG1-CG 4.32Å; V182-L186 VanDerWaalsContact O-CG 3.28Å; V182-L186 WeakPolarHBondContact O-CG 3.36Å; V182-L186 PolarHBondContact O-N 2.82Å; G183-L186 PolarHBondContact O-N 3.07Å; E184-L186 VanDerWaalsContact C-N 3.3Å; E184-L186 PolarHBondContact O-N 3.41Å; L186-M188 VanDerWaalsContact C-N 3.26Å; L186-M188 PolarHBondContact O-N 2.95Å; L186-S189 CarbonylContact O-C 3.45Å; L186-S189 WeakPolarHBondContact O-CA 3.47Å; L186-S189 PolarHBondContact O-N 2.77Å; L186-G190 PolarHBondContact O-N 3.42Å; L186-A191 HydrophobicContact CB-CB 3.99Å; L186-A191 VanDerWaalsContact O-CB 3.28Å; L186-A191 WeakPolarHBondContact O-CB 3.45Å; L186-A191 PolarHBondContact O-N 2.88Å
187	R	94.1	Very high	86.3	Confident	35 Å²	35	55.4 Å²	55.4	13%	0.132	28%	0.284	C	S	.	.	H	α-helix	trans	-56.2	-44.9	172.8	-171.1	-178.8	-81.8	138.4	-9.1	111.2	E94 A96 R98 G183 E184 S189 G190 F193	E94-R187 PolarHBondContact O-NH2 3.36Å; A96-R187 WeakPolarHBondContact O-CG 3.46Å; R98-R187 CarbonylContact C-O 3.53Å; R98-R187 HydrophobicContact CB-CG 4.11Å; R98-R187 PolarHBondContact N-O 3.5Å; G183-R187 PolarHBondContact O-N 3.41Å; E184-R187 WeakPolarHBondContact O-CB 3.42Å; E184-R187 PolarHBondContact O-N 3.06Å; E184-R187 IonicContact OE2-CZ 3.17Å; E184-R187 IonicContact OE2-NH1 3.85Å; E184-R187 PolarHBondContact OE2-NH1 3.02Å; R187-S189 PolarHBondContact O-N 3.17Å; R187-S189 VanDerWaalsContact O-N 3.17Å; R187-G190 PolarHBondContact O-N 2.89Å; R187-F193 HydrophobicContact CB-CE2 3.98Å; R187-F193 HydrophobicContact CG-CE2 4.38Å
188	M	95	Very high	86.5	Confident	32 Å²	32	55.5 Å²	55.5	16%	0.158	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-8.4	177	-67.8	168.2	81.4	0	0	113.8	R98 L99 Q100 T103 E184 M185 L186	R98-M188 VanDerWaalsContact O-CA 3.23Å; R98-M188 WeakPolarHBondContact O-CA 3.48Å; L99-M188 CarbonylContact C-O 3.43Å; L99-M188 WeakPolarHBondContact CA-O 3.46Å; Q100-M188 HydrophobicContact CB-CB 4.5Å; Q100-M188 HydrophobicContact CB-CE 4.39Å; Q100-M188 HydrophobicContact CG-CE 4.39Å; Q100-M188 PolarHBondContact N-O 2.92Å; T103-M188 HydrophobicContact CG2-CB 3.93Å; T103-M188 WeakPolarHBondContact OG1-CE 3.44Å; E184-M188 HydrophobicContact CG-CG 4.48Å; E184-M188 HydrophobicContact CG-SD 4.05Å; E184-M188 WeakPolarHBondContact O-CB 3.4Å; E184-M188 VanDerWaalsContact O-CG 3.24Å; E184-M188 WeakPolarHBondContact O-CG 3.48Å; E184-M188 PolarHBondContact O-N 3.4Å; M185-M188 CarbonylContact O-C 3.57Å; M185-M188 PolarHBondContact O-N 2.7Å; L186-M188 VanDerWaalsContact C-N 3.26Å; L186-M188 PolarHBondContact O-N 2.95Å
189	S	94.2	Very high	86.2	Confident	18 Å²	18	56 Å²	56	13%	0.126	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	10.1	179.7	-52.4	0	0	0	0	113	F107 M185 L186 R187	F107-S189 WeakPolarHBondContact CD2-OG 3.34Å; F107-S189 WeakPolarHBondContact CE2-OG 3.37Å; M185-S189 WeakPolarHBondContact O-CB 3.34Å; M185-S189 PolarHBondContact O-N 3.4Å; M185-S189 VanDerWaalsContact O-N 3.13Å; M185-S189 PolarHBondContact O-OG 3.22Å; L186-S189 CarbonylContact O-C 3.45Å; L186-S189 WeakPolarHBondContact O-CA 3.47Å; L186-S189 PolarHBondContact O-N 2.77Å; R187-S189 PolarHBondContact O-N 3.17Å; R187-S189 VanDerWaalsContact O-N 3.17Å
190	G	93.4	Very high	86.2	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	111.9	-3.5	174.8	0	0	0	0	0	115.2	V169 I170 L186 R187 F192	V169-G190 CarbonylContact C-O 3.42Å; V169-G190 WeakPolarHBondContact CA-O 3.34Å; I170-G190 PolarHBondContact N-O 2.86Å; L186-G190 PolarHBondContact O-N 3.42Å; R187-G190 PolarHBondContact O-N 2.89Å; G190-F192 PolarHBondContact O-N 2.9Å
191	A	95.3	Very high	86.5	Confident	5 Å²	5	50.8 Å²	50.8	4%	0.041	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	132.8	177	0	0	0	0	0	111.6	H97 I170 A172 L186 F193	H97-A191 WeakPolarHBondContact CA-O 3.28Å; H97-A191 WeakPolarHBondContact CB-O 3.21Å; I170-A191 WeakPolarHBondContact O-CA 3.16Å; A172-A191 HydrophobicContact CB-CB 4.11Å; L186-A191 HydrophobicContact CB-CB 3.99Å; L186-A191 VanDerWaalsContact O-CB 3.28Å; L186-A191 WeakPolarHBondContact O-CB 3.45Å; L186-A191 PolarHBondContact O-N 2.88Å; A191-F193 HydrophobicContact CB-CZ 4.43Å
192	F	94.8	Very high	86.7	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.009	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	138.7	165.2	67	-90.9	0	0	0	109.8	M95 H97 V169 I170 A171 A172 G190 F208 Y211 V212	M95-F192 HydrophobicContact CE-CD2 4.29Å; M95-F192 CarbonylContact O-C 3.57Å; M95-F192 WeakPolarHBondContact O-CA 3.32Å; M95-F192 WeakPolarHBondContact O-CB 3.19Å; H97-F192 HydrophobicContact CB-CB 4.4Å; V169-F192 HydrophobicContact CB-CD1 4.18Å; V169-F192 HydrophobicContact CB-CE1 4.36Å; V169-F192 HydrophobicContact CG2-CE1 4.3Å; I170-F192 VanDerWaalsContact C-CE1 3.4Å; I170-F192 VanDerWaalsContact O-CD1 3.26Å; I170-F192 WeakPolarHBondContact O-CD1 3.25Å; I170-F192 PolarHBondContact O-N 3.46Å; A171-F192 HydrophobicContact CB-CE1 4.16Å; A171-F192 HydrophobicContact CB-CE2 3.78Å; A171-F192 HydrophobicContact CB-CZ 3.5Å; A172-F192 PolarHBondContact N-O 3.14Å; G190-F192 PolarHBondContact O-N 2.9Å; F192-F208 HydrophobicContact CD2-CE2 4.25Å; F192-F208 AromaticContact CE2-CE2 3.88Å; F192-F208 HydrophobicContact CE2-CE2 3.88Å; F192-F208 HydrophobicContact CE2-CZ 4.27Å; F192-Y211 HydrophobicContact CB-CE1 3.78Å; F192-Y211 HydrophobicContact CD1-CE1 4.14Å; F192-Y211 HydrophobicContact CD2-CD1 4.43Å; F192-Y211 AromaticContact CD2-CE1 3.94Å; F192-Y211 HydrophobicContact CD2-CE1 3.94Å; F192-Y211 AromaticContact CG-CE1 3.7Å; F192-Y211 HydrophobicContact CG-CE1 3.7Å; F192-V212 HydrophobicContact CE2-CG2 3.94Å; F192-V212 HydrophobicContact CZ-CG2 4.09Å
193	F	92.5	Very high	87.1	Confident	3 Å²	3	46.6 Å²	46.6	1%	0.013	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	133.8	-166.7	-63.4	-74.6	0	0	0	113.5	M95 A172 M174 F176 M177 G183 R187 A191	M95-F193 WeakPolarHBondContact CB-O 3.32Å; M95-F193 PolarHBondContact O-N 2.99Å; A172-F193 HydrophobicContact CB-CD1 3.97Å; A172-F193 HydrophobicContact CB-CE1 4.04Å; A172-F193 CarbonylContact O-C 3.56Å; A172-F193 VanDerWaalsContact O-CA 3.26Å; A172-F193 WeakPolarHBondContact O-CA 3.32Å; M174-F193 HydrophobicContact CG-CB 4.41Å; F176-F193 HydrophobicContact CB-CE1 3.97Å; M177-F193 HydrophobicContact CB-CD1 4.22Å; M177-F193 HydrophobicContact CB-CE1 4.28Å; M177-F193 HydrophobicContact CB-CG 4.38Å; M177-F193 HydrophobicContact CB-CZ 4.49Å; M177-F193 HydrophobicContact SD-CD2 4.5Å; G183-F193 WeakPolarHBondContact O-CZ 3.45Å; R187-F193 HydrophobicContact CB-CE2 3.98Å; R187-F193 HydrophobicContact CG-CE2 4.38Å; A191-F193 HydrophobicContact CB-CZ 4.43Å
194	I	90	Very high	87.4	Confident	33 Å²	33	46.6 Å²	46.6	17%	0.169	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.4	177.7	-164.4	177.9	0	0	0	111.6	A172 M174 F198 Y204 F208	A172-I194 PolarHBondContact O-N 2.71Å; M174-I194 WeakPolarHBondContact CG-O 3.42Å; M174-I194 PolarHBondContact N-O 2.86Å; M174-I194 VanDerWaalsContact N-O 3.09Å; I194-F198 HydrophobicContact CD1-CE1 4.13Å; I194-F198 HydrophobicContact CD1-CZ 3.63Å; I194-F198 HydrophobicContact CG1-CE1 3.73Å; I194-F198 HydrophobicContact CG1-CZ 3.78Å; I194-Y204 WeakPolarHBondContact CA-OH 3.29Å; I194-F208 HydrophobicContact CB-CE2 3.95Å; I194-F208 HydrophobicContact CB-CZ 4.4Å; I194-F208 HydrophobicContact CD1-CE1 3.86Å; I194-F208 HydrophobicContact CD1-CE2 3.67Å; I194-F208 HydrophobicContact CD1-CZ 3.27Å; I194-F208 HydrophobicContact CG1-CD2 4.23Å; I194-F208 HydrophobicContact CG1-CE2 3.63Å; I194-F208 HydrophobicContact CG1-CZ 3.8Å
195	R	86.6	Confident	87.4	Confident	70 Å²	70	48.4 Å²	48.4	26%	0.264	26%	0.262	S	S	.	.			trans	-64.5	143.7	172.9	-75.6	172.7	-173.8	-177.7	4.3	110.5	E94 M174 S197 F198 D201 Y204	E94-R195 IonicContact OE2-CZ 2.75Å; E94-R195 IonicContact OE2-NE 2.73Å; E94-R195 IonicContact OE2-NH2 3.7Å; E94-R195 PolarHBondContact OE2-NH2 2.96Å; M174-R195 HydrophobicContact CG-CG 4.5Å; M174-R195 HydrophobicContact SD-CB 4.01Å; M174-R195 HydrophobicContact SD-CG 3.23Å; M174-R195 WeakPolarHBondContact SD-CG 3.29Å; R195-S197 VanDerWaalsContact C-N 3.29Å; R195-S197 PolarHBondContact O-N 3.18Å; R195-F198 HydrophobicContact CB-CD1 4.18Å; R195-F198 HydrophobicContact CB-CE1 4.17Å; R195-F198 VanDerWaalsContact O-CE1 3.24Å; R195-F198 WeakPolarHBondContact O-CE1 3.33Å; R195-D201 IonicContact NH1-OD2 3.89Å; R195-Y204 HydrophobicContact CB-CE1 4.19Å; R195-Y204 VanDerWaalsContact CD-CE2 3.44Å; R195-Y204 HydrophobicContact CG-CE1 4.44Å; R195-Y204 HydrophobicContact CG-CE2 3.9Å; R195-Y204 PolarHBondContact N-OH 3.07Å
196	R	72.9	Confident	87.4	Confident	204 Å²	204	46.3 Å²	46.3	77%	0.77	25%	0.252	S	S	*	.	S	Bend	trans	-68	-27	178.7	-77.8	-162.5	-103.9	152.5	-5.7	113.7	D175	D175-R196 IonicContact OD1-CZ 2.96Å; D175-R196 IonicContact OD1-NE 2.82Å; D175-R196 PolarHBondContact OD1-NE 3.03Å; D175-R196 IonicContact OD1-NH2 2.74Å; D175-R196 PolarHBondContact OD1-NH2 3.48Å; D175-R196 IonicContact OD2-CZ 3.28Å; D175-R196 IonicContact OD2-NE 3.24Å; D175-R196 PolarHBondContact OD2-NE 3.47Å; D175-R196 IonicContact OD2-NH2 3.3Å
197	S	69.3	Low	87.6	Confident	91 Å²	91	45.8 Å²	45.8	64%	0.636	25%	0.249	S	C	*	.			trans	-144.7	140.3	174.9	179.7	0	0	0	0	108.6	R195 G199	R195-S197 VanDerWaalsContact C-N 3.29Å; R195-S197 PolarHBondContact O-N 3.18Å; S197-G199 PolarHBondContact OG-N 3.47Å
198	F	70.9	Confident	87.6	Confident	65 Å²	65	44.2 Å²	44.2	29%	0.285	24%	0.244	S	C	.	.			trans	-94.9	-10.9	179.5	-46.7	-48.6	0	0	0	112.3	I194 R195 G200 D201 Y204 W205	I194-F198 HydrophobicContact CD1-CE1 4.13Å; I194-F198 HydrophobicContact CD1-CZ 3.63Å; I194-F198 HydrophobicContact CG1-CE1 3.73Å; I194-F198 HydrophobicContact CG1-CZ 3.78Å; R195-F198 HydrophobicContact CB-CD1 4.18Å; R195-F198 HydrophobicContact CB-CE1 4.17Å; R195-F198 VanDerWaalsContact O-CE1 3.24Å; R195-F198 WeakPolarHBondContact O-CE1 3.33Å; F198-G200 PolarHBondContact O-N 3.44Å; F198-D201 WeakPolarHBondContact O-CB 3.32Å; F198-D201 PolarHBondContact O-N 2.97Å; F198-Y204 AromaticContact CD1-CD1 3.62Å; F198-Y204 HydrophobicContact CD1-CD1 3.62Å; F198-Y204 AromaticContact CD1-CE1 3.31Å; F198-Y204 HydrophobicContact CD1-CE1 3.31Å; F198-Y204 HydrophobicContact CE1-CD1 4.24Å; F198-Y204 AromaticContact CE1-CE1 3.48Å; F198-Y204 HydrophobicContact CE1-CE1 3.48Å; F198-Y204 VanDerWaalsContact CE1-CE1 3.48Å; F198-Y204 HydrophobicContact CG-CD1 4.34Å; F198-Y204 HydrophobicContact CG-CE1 4.36Å; F198-W205 AromaticContact CD2-CE3 3.85Å; F198-W205 HydrophobicContact CD2-CE3 3.85Å; F198-W205 AromaticContact CD2-CZ3 3.96Å; F198-W205 HydrophobicContact CD2-CZ3 3.96Å; F198-W205 AromaticContact CE2-CE3 3.96Å; F198-W205 HydrophobicContact CE2-CE3 3.96Å; F198-W205 AromaticContact CE2-CZ3 3.65Å; F198-W205 HydrophobicContact CE2-CZ3 3.65Å; F198-W205 HydrophobicContact CG-CE3 4.44Å; F198-W205 HydrophobicContact CZ-CZ3 4.36Å
199	G	60.7	Low	87.6	Confident	76 Å²	76	42.8 Å²	42.8	78%	0.784	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	16.4	171.5	0	0	0	0	0	116.7	S197 D201	S197-G199 PolarHBondContact OG-N 3.47Å; G199-D201 VanDerWaalsContact C-N 3.33Å
200	G	76.3	Confident	87.7	Confident	70 Å²	70	42.2 Å²	42.2	72%	0.722	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	81	7.5	-171.7	0	0	0	0	0	114.9	F198 K202	F198-G200 PolarHBondContact O-N 3.44Å; G200-K202 PolarHBondContact O-N 3.15Å
201	D	89.1	Confident	87.8	Confident	50 Å²	50	42.4 Å²	42.4	27%	0.267	23%	0.233	S	C	.	.			trans	-63.4	97.1	175	-174.2	-17.6	0	0	0	110.6	R195 F198 G199 L203 Y204 W205	R195-D201 IonicContact NH1-OD2 3.89Å; F198-D201 WeakPolarHBondContact O-CB 3.32Å; F198-D201 PolarHBondContact O-N 2.97Å; G199-D201 VanDerWaalsContact C-N 3.33Å; D201-L203 VanDerWaalsContact C-N 3.33Å; D201-L203 PolarHBondContact OD1-N 2.96Å; D201-Y204 WeakPolarHBondContact OD1-CB 3.45Å; D201-Y204 PolarHBondContact OD1-N 3.35Å; D201-Y204 VanDerWaalsContact OD2-CB 3.25Å; D201-Y204 WeakPolarHBondContact OD2-CB 3.21Å; D201-W205 PolarHBondContact O-N 3.5Å
202	K	91.4	Very high	87.8	Confident	100 Å²	100	42.2 Å²	42.2	44%	0.435	23%	0.231	S	C	.	.	H	α-helix	trans	-65.2	-37.3	-178.3	-67.1	179.5	-178	170.6	0	111.6	V73 E76 G200 A206	V73-K202 HydrophobicContact CG2-CB 4.28Å; E76-K202 IonicContact OE1-NZ 2.71Å; E76-K202 PolarHBondContact OE1-NZ 2.96Å; E76-K202 IonicContact OE2-NZ 3.94Å; E76-K202 PolarHBondContact OE2-NZ 2.92Å; G200-K202 PolarHBondContact O-N 3.15Å; K202-A206 WeakPolarHBondContact O-CB 3.34Å; K202-A206 PolarHBondContact O-N 3.41Å
203	L	94.8	Very high	87.9	Confident	5 Å²	5	42.6 Å²	42.6	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-69.5	-50.5	-177.4	-176.6	64.8	0	0	0	110.3	L66 I70 I84 E87 A88 I91 D201 W205 A206 V207	L66-L203 HydrophobicContact CD1-CD1 4.29Å; I70-L203 HydrophobicContact CG1-CD1 3.99Å; I84-L203 HydrophobicContact CG2-CD1 3.91Å; I84-L203 HydrophobicContact CG2-CD2 3.84Å; E87-L203 HydrophobicContact CB-CD2 4.02Å; E87-L203 HydrophobicContact CG-CD2 3.81Å; A88-L203 HydrophobicContact CB-CD1 4.18Å; I91-L203 HydrophobicContact CD1-CD2 4.08Å; I91-L203 HydrophobicContact CD1-CG 4.17Å; D201-L203 VanDerWaalsContact C-N 3.33Å; D201-L203 PolarHBondContact OD1-N 2.96Å; L203-W205 VanDerWaalsContact C-N 3.31Å; L203-W205 PolarHBondContact O-N 3Å; L203-A206 PolarHBondContact O-N 3.13Å; L203-A206 VanDerWaalsContact O-N 3.1Å; L203-V207 WeakPolarHBondContact O-CG2 3.44Å; L203-V207 PolarHBondContact O-N 2.83Å
204	Y	94.4	Very high	87.9	Confident	3 Å²	3	42.7 Å²	42.7	1%	0.012	23%	0.234	C	C	.	.	H	α-helix	trans	-56.1	-46.3	176.7	178.1	-89.6	0	0	0	111.6	I91 I194 R195 F198 D201 A206 V207 F208	I91-Y204 HydrophobicContact CG2-CD2 3.54Å; I91-Y204 HydrophobicContact CG2-CE2 3.97Å; I91-Y204 HydrophobicContact CG2-CG 4.49Å; I194-Y204 WeakPolarHBondContact CA-OH 3.29Å; R195-Y204 HydrophobicContact CB-CE1 4.19Å; R195-Y204 VanDerWaalsContact CD-CE2 3.44Å; R195-Y204 HydrophobicContact CG-CE1 4.44Å; R195-Y204 HydrophobicContact CG-CE2 3.9Å; R195-Y204 PolarHBondContact N-OH 3.07Å; F198-Y204 AromaticContact CD1-CD1 3.62Å; F198-Y204 HydrophobicContact CD1-CD1 3.62Å; F198-Y204 AromaticContact CD1-CE1 3.31Å; F198-Y204 HydrophobicContact CD1-CE1 3.31Å; F198-Y204 HydrophobicContact CE1-CD1 4.24Å; F198-Y204 AromaticContact CE1-CE1 3.48Å; F198-Y204 HydrophobicContact CE1-CE1 3.48Å; F198-Y204 VanDerWaalsContact CE1-CE1 3.48Å; F198-Y204 HydrophobicContact CG-CD1 4.34Å; F198-Y204 HydrophobicContact CG-CE1 4.36Å; D201-Y204 WeakPolarHBondContact OD1-CB 3.45Å; D201-Y204 PolarHBondContact OD1-N 3.35Å; D201-Y204 VanDerWaalsContact OD2-CB 3.25Å; D201-Y204 WeakPolarHBondContact OD2-CB 3.21Å; Y204-A206 VanDerWaalsContact C-N 3.33Å; Y204-A206 PolarHBondContact O-N 3.18Å; Y204-V207 PolarHBondContact O-N 3.01Å; Y204-F208 HydrophobicContact CE1-CB 4.18Å; Y204-F208 HydrophobicContact CE1-CG 4.46Å; Y204-F208 WeakPolarHBondContact O-CB 3.42Å; Y204-F208 PolarHBondContact O-N 3.07Å
205	W	92.3	Very high	88	Confident	96 Å²	96	41.2 Å²	41.2	36%	0.364	23%	0.226	S	C	.	.	H	α-helix	trans	-62.6	-38.9	178.2	-178.6	-102.2	0	0	0	112.5	F198 D201 L203 F208 S209 I247	F198-W205 AromaticContact CD2-CE3 3.85Å; F198-W205 HydrophobicContact CD2-CE3 3.85Å; F198-W205 AromaticContact CD2-CZ3 3.96Å; F198-W205 HydrophobicContact CD2-CZ3 3.96Å; F198-W205 AromaticContact CE2-CE3 3.96Å; F198-W205 HydrophobicContact CE2-CE3 3.96Å; F198-W205 AromaticContact CE2-CZ3 3.65Å; F198-W205 HydrophobicContact CE2-CZ3 3.65Å; F198-W205 HydrophobicContact CG-CE3 4.44Å; F198-W205 HydrophobicContact CZ-CZ3 4.36Å; D201-W205 PolarHBondContact O-N 3.5Å; L203-W205 VanDerWaalsContact C-N 3.31Å; L203-W205 PolarHBondContact O-N 3Å; W205-F208 HydrophobicContact CE3-CD1 4.38Å; W205-F208 HydrophobicContact CZ3-CD1 4.33Å; W205-S209 WeakPolarHBondContact O-CB 3.28Å; W205-S209 PolarHBondContact O-N 2.82Å; W205-S209 PolarHBondContact O-OG 2.99Å; W205-I247 HydrophobicContact CH2-CD1 3.53Å; W205-I247 HydrophobicContact CH2-CG1 4.1Å; W205-I247 HydrophobicContact CZ2-CD1 3.86Å; W205-I247 HydrophobicContact CZ2-CG1 4.03Å; W205-I247 HydrophobicContact CZ3-CD1 4.06Å
206	A	94.7	Very high	88.3	Confident	3 Å²	3	38 Å²	38	3%	0.025	21%	0.214	C	C	.	.	H	α-helix	trans	-64.8	-48.9	176.8	0	0	0	0	0	111.8	L66 V69 K202 L203 Y204 S209 E210	L66-A206 HydrophobicContact CD1-CB 3.99Å; V69-A206 HydrophobicContact CB-CB 3.9Å; V69-A206 HydrophobicContact CG1-CB 3.71Å; V69-A206 HydrophobicContact CG2-CB 3.89Å; K202-A206 WeakPolarHBondContact O-CB 3.34Å; K202-A206 PolarHBondContact O-N 3.41Å; L203-A206 PolarHBondContact O-N 3.13Å; L203-A206 VanDerWaalsContact O-N 3.1Å; Y204-A206 VanDerWaalsContact C-N 3.33Å; Y204-A206 PolarHBondContact O-N 3.18Å; A206-S209 PolarHBondContact O-OG 2.93Å; A206-E210 WeakPolarHBondContact O-CB 3.49Å; A206-E210 PolarHBondContact O-N 3.19Å
207	V	96.5	Very high	89.2	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.8	-49.9	176.5	176.9	0	0	0	0	110.6	L66 A88 I91 L92 M95 L203 Y204 E210 Y211	L66-V207 HydrophobicContact CD1-CG2 3.64Å; L66-V207 HydrophobicContact CD2-CG2 4.17Å; A88-V207 HydrophobicContact CB-CG2 3.82Å; I91-V207 HydrophobicContact CB-CG1 4.41Å; I91-V207 HydrophobicContact CG2-CB 4.04Å; I91-V207 HydrophobicContact CG2-CG1 3.83Å; I91-V207 HydrophobicContact CG2-CG2 4.48Å; L92-V207 HydrophobicContact CB-CG1 3.93Å; L92-V207 HydrophobicContact CD1-CG1 4.18Å; M95-V207 HydrophobicContact SD-CG1 4.16Å; L203-V207 WeakPolarHBondContact O-CG2 3.44Å; L203-V207 PolarHBondContact O-N 2.83Å; Y204-V207 PolarHBondContact O-N 3.01Å; V207-E210 PolarHBondContact O-N 3.42Å; V207-Y211 WeakPolarHBondContact O-CB 3.5Å; V207-Y211 PolarHBondContact O-N 2.86Å
208	F	95.3	Very high	90	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.009	17%	0.168	C	C	.	.	H	α-helix	trans	-60.2	-49.9	-179.3	175.1	-97.3	0	0	0	112.4	M95 F192 I194 Y204 W205 Y211 V212 L244 I247	M95-F208 HydrophobicContact CE-CB 4.3Å; M95-F208 HydrophobicContact CE-CD2 3.36Å; M95-F208 HydrophobicContact CE-CE2 4.02Å; M95-F208 HydrophobicContact CE-CG 4.22Å; M95-F208 HydrophobicContact SD-CB 4.27Å; M95-F208 HydrophobicContact SD-CD2 4.21Å; F192-F208 HydrophobicContact CD2-CE2 4.25Å; F192-F208 AromaticContact CE2-CE2 3.88Å; F192-F208 HydrophobicContact CE2-CE2 3.88Å; F192-F208 HydrophobicContact CE2-CZ 4.27Å; I194-F208 HydrophobicContact CB-CE2 3.95Å; I194-F208 HydrophobicContact CB-CZ 4.4Å; I194-F208 HydrophobicContact CD1-CE1 3.86Å; I194-F208 HydrophobicContact CD1-CE2 3.67Å; I194-F208 HydrophobicContact CD1-CZ 3.27Å; I194-F208 HydrophobicContact CG1-CD2 4.23Å; I194-F208 HydrophobicContact CG1-CE2 3.63Å; I194-F208 HydrophobicContact CG1-CZ 3.8Å; Y204-F208 HydrophobicContact CE1-CB 4.18Å; Y204-F208 HydrophobicContact CE1-CG 4.46Å; Y204-F208 WeakPolarHBondContact O-CB 3.42Å; Y204-F208 PolarHBondContact O-N 3.07Å; W205-F208 HydrophobicContact CE3-CD1 4.38Å; W205-F208 HydrophobicContact CZ3-CD1 4.33Å; F208-Y211 PolarHBondContact O-N 3.42Å; F208-V212 HydrophobicContact CE1-CG2 4.42Å; F208-V212 HydrophobicContact CE2-CG2 4.38Å; F208-V212 HydrophobicContact CZ-CG2 4.14Å; F208-V212 WeakPolarHBondContact O-CG2 3.32Å; F208-V212 PolarHBondContact O-N 2.95Å; F208-L244 HydrophobicContact CE1-CD2 3.88Å; F208-L244 HydrophobicContact CZ-CD2 3.62Å; F208-L244 HydrophobicContact CZ-CG 4.38Å; F208-I247 HydrophobicContact CD1-CD1 3.8Å; F208-I247 HydrophobicContact CE1-CD1 3.51Å
209	S	94.5	Very high	90.5	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.021	16%	0.16	C	C	.	.	H	α-helix	trans	-65.6	-41.1	-178.3	64.6	0	0	0	0	111.7	W205 A206 V212 K213	W205-S209 WeakPolarHBondContact O-CB 3.28Å; W205-S209 PolarHBondContact O-N 2.82Å; W205-S209 PolarHBondContact O-OG 2.99Å; A206-S209 PolarHBondContact O-OG 2.93Å; S209-V212 PolarHBondContact O-N 2.85Å; S209-K213 WeakPolarHBondContact O-CG 3.47Å; S209-K213 PolarHBondContact O-N 2.82Å
210	E	95.9	Very high	91.5	Very high	5 Å²	5	25.1 Å²	25.1	2%	0.023	14%	0.135	C	C	.	.	H	α-helix	trans	-69.3	-36.6	178.6	-171.2	61.9	-149.7	0	0	112.4	V60 S63 A206 V207 K213 T214 K217	V60-E210 HydrophobicContact CG1-CB 4.28Å; V60-E210 HydrophobicContact CG1-CG 4.25Å; S63-E210 WeakPolarHBondContact OG-CG 3.44Å; A206-E210 WeakPolarHBondContact O-CB 3.49Å; A206-E210 PolarHBondContact O-N 3.19Å; V207-E210 PolarHBondContact O-N 3.42Å; E210-K213 PolarHBondContact O-N 2.94Å; E210-T214 VanDerWaalsContact O-CB 3.27Å; E210-T214 WeakPolarHBondContact O-CB 3.34Å; E210-T214 PolarHBondContact O-N 2.85Å; E210-T214 PolarHBondContact O-OG1 2.87Å; E210-T214 PolarHBondContact OE1-OG1 3.36Å; E210-K217 IonicContact OE1-NZ 3.55Å; E210-K217 PolarHBondContact OE1-NZ 3.39Å
211	Y	96	Very high	92.2	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.016	10%	0.104	C	C	.	.	H	α-helix	trans	-57.6	-50.5	173.8	172.3	-96.4	0	0	0	111.7	V60 L92 M95 A96 H97 F192 V207 F208 K213 T214 M215	V60-Y211 HydrophobicContact CG2-CD2 4.35Å; L92-Y211 HydrophobicContact CD1-CD2 3.69Å; L92-Y211 HydrophobicContact CD1-CE2 4.44Å; L92-Y211 HydrophobicContact CD1-CG 4.23Å; M95-Y211 HydrophobicContact CE-CD1 3.41Å; M95-Y211 VanDerWaalsContact CE-CD1 3.41Å; M95-Y211 HydrophobicContact CE-CE1 4.03Å; M95-Y211 HydrophobicContact CE-CG 3.84Å; A96-Y211 HydrophobicContact CB-CE2 3.78Å; H97-Y211 PolarHBondContact N-OH 3.12Å; H97-Y211 AromaticContact ND1-CZ 3.86Å; H97-Y211 PolarHBondContact ND1-OH 3.02Å; F192-Y211 HydrophobicContact CB-CE1 3.78Å; F192-Y211 HydrophobicContact CD1-CE1 4.14Å; F192-Y211 HydrophobicContact CD2-CD1 4.43Å; F192-Y211 AromaticContact CD2-CE1 3.94Å; F192-Y211 HydrophobicContact CD2-CE1 3.94Å; F192-Y211 AromaticContact CG-CE1 3.7Å; F192-Y211 HydrophobicContact CG-CE1 3.7Å; V207-Y211 WeakPolarHBondContact O-CB 3.5Å; V207-Y211 PolarHBondContact O-N 2.86Å; F208-Y211 PolarHBondContact O-N 3.42Å; Y211-K213 PolarHBondContact O-N 3.16Å; Y211-T214 PolarHBondContact O-N 2.96Å; Y211-M215 HydrophobicContact CE1-CG 4.3Å; Y211-M215 HydrophobicContact CE2-SD 4.45Å; Y211-M215 WeakPolarHBondContact O-CG 3.44Å; Y211-M215 PolarHBondContact O-N 3.37Å
212	V	95.8	Very high	92.5	Very high	1 Å²	1	20 Å²	20	1%	0.006	9%	0.093	C	C	.	.	H	α-helix	trans	-63.6	-42.7	178.5	175.7	0	0	0	0	111.5	F192 F208 S209 T214 M215 L216 L244 I247 V248	F192-V212 HydrophobicContact CE2-CG2 3.94Å; F192-V212 HydrophobicContact CZ-CG2 4.09Å; F208-V212 HydrophobicContact CE1-CG2 4.42Å; F208-V212 HydrophobicContact CE2-CG2 4.38Å; F208-V212 HydrophobicContact CZ-CG2 4.14Å; F208-V212 WeakPolarHBondContact O-CG2 3.32Å; F208-V212 PolarHBondContact O-N 2.95Å; S209-V212 PolarHBondContact O-N 2.85Å; V212-T214 VanDerWaalsContact C-N 3.29Å; V212-T214 PolarHBondContact O-N 2.9Å; V212-M215 PolarHBondContact O-N 3.38Å; V212-L216 HydrophobicContact CG1-CD1 4.38Å; V212-L216 PolarHBondContact O-N 3.19Å; V212-L216 VanDerWaalsContact O-N 3.13Å; V212-L244 HydrophobicContact CG2-CD2 4.37Å; V212-I247 HydrophobicContact CB-CG2 3.78Å; V212-I247 HydrophobicContact CG1-CG2 3.75Å; V212-V248 HydrophobicContact CG1-CG1 3.97Å
213	K	95.3	Very high	92.8	Very high	10 Å²	10	15.3 Å²	15.3	4%	0.043	7%	0.072	C	C	.	.	H	α-helix	trans	-61.5	-38.8	175.4	-69.4	174.9	-159	-170.7	0	111.7	S209 E210 Y211 L216 K217 I247 D250 P251	S209-K213 WeakPolarHBondContact O-CG 3.47Å; S209-K213 PolarHBondContact O-N 2.82Å; E210-K213 PolarHBondContact O-N 2.94Å; Y211-K213 PolarHBondContact O-N 3.16Å; K213-L216 PolarHBondContact O-N 2.86Å; K213-K217 WeakPolarHBondContact O-CB 3.42Å; K213-K217 WeakPolarHBondContact O-CE 3.34Å; K213-K217 VanDerWaalsContact O-CG 3.26Å; K213-K217 WeakPolarHBondContact O-CG 3.45Å; K213-K217 PolarHBondContact O-N 2.95Å; K213-I247 HydrophobicContact CG-CG2 4.04Å; K213-D250 VanDerWaalsContact CE-OD2 3.25Å; K213-D250 WeakPolarHBondContact CE-OD2 3.41Å; K213-D250 IonicContact NZ-OD2 3.72Å; K213-D250 PolarHBondContact NZ-OD2 3.2Å; K213-P251 HydrophobicContact CB-CG 4.1Å; K213-P251 HydrophobicContact CG-CG 3.87Å
214	T	94.3	Very high	92.9	Very high	5 Å²	5	15.1 Å²	15.1	3%	0.031	7%	0.071	C	C	.	.	H	α-helix	trans	-66.4	-42.6	179.3	-62.1	0	0	0	0	111.1	L56 M59 V60 E210 Y211 V212 L216 K217 N218	L56-T214 HydrophobicContact CD2-CG2 4.09Å; M59-T214 HydrophobicContact CB-CG2 4Å; M59-T214 HydrophobicContact SD-CG2 4.45Å; V60-T214 HydrophobicContact CG2-CG2 4.08Å; E210-T214 VanDerWaalsContact O-CB 3.27Å; E210-T214 WeakPolarHBondContact O-CB 3.34Å; E210-T214 PolarHBondContact O-N 2.85Å; E210-T214 PolarHBondContact O-OG1 2.87Å; E210-T214 PolarHBondContact OE1-OG1 3.36Å; Y211-T214 PolarHBondContact O-N 2.96Å; V212-T214 VanDerWaalsContact C-N 3.29Å; V212-T214 PolarHBondContact O-N 2.9Å; T214-L216 VanDerWaalsContact C-N 3.3Å; T214-L216 PolarHBondContact O-N 2.61Å; T214-K217 PolarHBondContact O-N 3.44Å; T214-N218 VanDerWaalsContact O-CB 3.32Å; T214-N218 WeakPolarHBondContact O-CB 3.32Å; T214-N218 PolarHBondContact O-N 2.95Å
215	M	92.2	Very high	93.1	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.01	7%	0.071	C	C	.	.	H	α-helix	trans	-56.7	-44.8	172.5	-65.9	-54.8	-56.7	0	0	111.8	L56 V169 Y211 V212 G219 A221 V223	L56-M215 HydrophobicContact CD1-CE 4.26Å; L56-M215 HydrophobicContact CD1-SD 3.81Å; L56-M215 HydrophobicContact CD2-SD 4.37Å; V169-M215 HydrophobicContact CB-CE 4.46Å; V169-M215 HydrophobicContact CG1-CE 3.82Å; V169-M215 HydrophobicContact CG2-CE 3.91Å; V169-M215 HydrophobicContact CG2-CG 4.37Å; Y211-M215 HydrophobicContact CE1-CG 4.3Å; Y211-M215 HydrophobicContact CE2-SD 4.45Å; Y211-M215 WeakPolarHBondContact O-CG 3.44Å; Y211-M215 PolarHBondContact O-N 3.37Å; V212-M215 PolarHBondContact O-N 3.38Å; M215-G219 PolarHBondContact O-N 3.47Å; M215-A221 HydrophobicContact CE-CB 4.45Å; M215-V223 HydrophobicContact CB-CG2 4.19Å
216	L	91.9	Very high	93.3	Very high	3 Å²	3	11.6 Å²	11.6	2%	0.016	6%	0.058	C	C	.	.	H	α-helix	trans	-68.1	-45.7	178.4	-79.4	164.6	0	0	0	113.6	P140 V142 V212 K213 T214 N218 G219 V223 V248 V260	P140-L216 HydrophobicContact CB-CD2 3.95Å; P140-L216 WeakPolarHBondContact CB-O 3.45Å; P140-L216 WeakPolarHBondContact CG-O 3.25Å; V142-L216 HydrophobicContact CG2-CD2 3.75Å; V212-L216 HydrophobicContact CG1-CD1 4.38Å; V212-L216 PolarHBondContact O-N 3.19Å; V212-L216 VanDerWaalsContact O-N 3.13Å; K213-L216 PolarHBondContact O-N 2.86Å; T214-L216 VanDerWaalsContact C-N 3.3Å; T214-L216 PolarHBondContact O-N 2.61Å; L216-N218 VanDerWaalsContact C-N 3.28Å; L216-N218 PolarHBondContact O-N 2.9Å; L216-G219 PolarHBondContact O-N 3.18Å; L216-V223 HydrophobicContact CD2-CG2 4.07Å; L216-V223 HydrophobicContact CG-CG2 3.97Å; L216-V248 HydrophobicContact CD1-CB 3.5Å; L216-V248 VanDerWaalsContact CD1-CB 3.5Å; L216-V248 HydrophobicContact CD1-CG1 3.59Å; L216-V260 HydrophobicContact CD2-CG1 4.48Å
217	K	91.1	Very high	93.3	Very high	70 Å²	70	11.5 Å²	11.5	30%	0.304	6%	0.058	S	C	.	.	H	α-helix	trans	-61.4	-39.1	179.3	-75	177.9	-59.6	-173.9	0	111.4	E210 K213 T214 P251 Q256 V257	E210-K217 IonicContact OE1-NZ 3.55Å; E210-K217 PolarHBondContact OE1-NZ 3.39Å; K213-K217 WeakPolarHBondContact O-CB 3.42Å; K213-K217 WeakPolarHBondContact O-CE 3.34Å; K213-K217 VanDerWaalsContact O-CG 3.26Å; K213-K217 WeakPolarHBondContact O-CG 3.45Å; K213-K217 PolarHBondContact O-N 2.95Å; T214-K217 PolarHBondContact O-N 3.44Å; K217-P251 HydrophobicContact CG-CB 4.46Å; K217-Q256 HydrophobicContact CD-CB 4.27Å; K217-Q256 HydrophobicContact CG-CB 4.43Å; K217-V257 HydrophobicContact CG-CG1 4.23Å
218	N	87.1	Confident	93	Very high	26 Å²	26	11.7 Å²	11.7	14%	0.139	6%	0.058	C	C	.	.	H	α-helix	trans	-74.7	-36.7	-179.8	-170.4	-74.3	0	0	0	111.9	L48 C51 L56 T214 L216 F220	L48-N218 WeakPolarHBondContact CD1-O 3.42Å; C51-N218 PolarHBondContact SG-ND2 3.25Å; C51-N218 PolarHBondContact SG-OD1 2.88Å; L56-N218 HydrophobicContact CD2-CB 4.18Å; T214-N218 VanDerWaalsContact O-CB 3.32Å; T214-N218 WeakPolarHBondContact O-CB 3.32Å; T214-N218 PolarHBondContact O-N 2.95Å; L216-N218 VanDerWaalsContact C-N 3.28Å; L216-N218 PolarHBondContact O-N 2.9Å; N218-F220 VanDerWaalsContact C-N 3.29Å; N218-F220 PolarHBondContact O-N 3.47Å; N218-F220 WeakPolarHBondContact OD1-CB 3.1Å
219	G	81.9	Confident	92.7	Very high	10 Å²	10	14.2 Å²	14.2	10%	0.103	9%	0.085	C	C	.	.			trans	75.2	13.8	177.3	0	0	0	0	0	114.5	Y45 L48 M215 L216 A221	Y45-G219 WeakPolarHBondContact CB-O 3.33Å; L48-G219 WeakPolarHBondContact CD1-O 3.37Å; M215-G219 PolarHBondContact O-N 3.47Å; L216-G219 PolarHBondContact O-N 3.18Å; G219-A221 VanDerWaalsContact C-N 3.34Å; G219-A221 PolarHBondContact O-N 3.35Å
220	F	81.8	Confident	92.6	Very high	59 Å²	59	17.3 Å²	17.3	26%	0.259	10%	0.104	S	C	.	.	S	Bend	trans	-62.8	-36.1	-178.5	-178.5	-98.1	0	0	0	114.3	L48 L99 N218	L48-F220 HydrophobicContact CD1-CB 4.05Å; L48-F220 HydrophobicContact CD1-CD2 4.5Å; L48-F220 VanDerWaalsContact CD1-N 3.33Å; L48-F220 HydrophobicContact CD2-CD2 4.27Å; L99-F220 HydrophobicContact CD2-CE1 4.49Å; N218-F220 VanDerWaalsContact C-N 3.29Å; N218-F220 PolarHBondContact O-N 3.47Å; N218-F220 WeakPolarHBondContact OD1-CB 3.1Å
221	A	90.1	Very high	92.4	Very high	9 Å²	9	18.1 Å²	18.1	7%	0.074	11%	0.107	C	C	.	.	S	Bend	trans	-144.8	146.1	-179.2	0	0	0	0	0	109.7	L167 V169 M215 G219	L167-A221 WeakPolarHBondContact O-CB 3.31Å; V169-A221 HydrophobicContact CG1-CB 4.1Å; M215-A221 HydrophobicContact CE-CB 4.45Å; G219-A221 VanDerWaalsContact C-N 3.34Å; G219-A221 PolarHBondContact O-N 3.35Å
222	P	95.1	Very high	92.3	Very high	5 Å²	5	18.1 Å²	18.1	3%	0.032	11%	0.107	C	C	.	.			trans	-56.6	146	166	-22.2	33.4	0	0	0	110.9	I136 V141 L143 A166 P168 V169	I136-P222 HydrophobicContact CD1-CG 4.2Å; I136-P222 HydrophobicContact CG1-CG 4.33Å; V141-P222 HydrophobicContact CB-CB 4.23Å; V141-P222 HydrophobicContact CG1-CB 4.19Å; V141-P222 WeakPolarHBondContact O-CA 3.45Å; L143-P222 HydrophobicContact CD1-CB 4.25Å; L143-P222 HydrophobicContact CG-CB 4.25Å; A166-P222 WeakPolarHBondContact O-CD 3.4Å; P168-P222 CarbonylContact C-O 3.57Å; P168-P222 WeakPolarHBondContact CA-O 3.28Å; P168-P222 HydrophobicContact CB-CB 4.34Å; V169-P222 PolarHBondContact N-O 2.88Å
223	V	97	Very high	92.3	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	130.2	170.9	178.8	0	0	0	0	108.8	V141 V142 L143 V169 M215 L216 F225	V141-V223 PolarHBondContact O-N 3.3Å; V142-V223 CarbonylContact C-O 3.54Å; V142-V223 VanDerWaalsContact CA-O 3.22Å; V142-V223 WeakPolarHBondContact CA-O 3.48Å; L143-V223 PolarHBondContact N-O 2.84Å; V169-V223 HydrophobicContact CG2-CG2 3.98Å; M215-V223 HydrophobicContact CB-CG2 4.19Å; L216-V223 HydrophobicContact CD2-CG2 4.07Å; L216-V223 HydrophobicContact CG-CG2 3.97Å; V223-F225 HydrophobicContact CG1-CD1 4.33Å
224	E	98	Very high	92.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.7	176.9	-178.3	-175.7	144.9	0	0	111.2	L143 P145 F153 V156 P168 V169 I170 A171	L143-E224 HydrophobicContact CB-CB 4.2Å; L143-E224 HydrophobicContact CB-CG 4.23Å; L143-E224 WeakPolarHBondContact O-CA 3.31Å; P145-E224 HydrophobicContact CG-CG 3.92Å; F153-E224 WeakPolarHBondContact CA-OE1 3.38Å; F153-E224 WeakPolarHBondContact CB-OE1 3.47Å; V156-E224 WeakPolarHBondContact CG1-OE2 3.32Å; P168-E224 HydrophobicContact CB-CB 3.74Å; P168-E224 HydrophobicContact CG-CB 4.26Å; P168-E224 WeakPolarHBondContact CG-OE2 3.14Å; V169-E224 PolarHBondContact O-N 3.29Å; I170-E224 HydrophobicContact CG1-CB 4.09Å; A171-E224 PolarHBondContact N-O 3.33Å
225	F	97.6	Very high	92.3	Very high	3 Å²	3	20.5 Å²	20.5	1%	0.013	12%	0.119	C	C	.	.			trans	-155	158	166.1	66.2	-89.3	0	0	0	112.4	V142 L143 L144 A171 V223 L227 L244 L245 V248	V142-F225 HydrophobicContact CG1-CD1 3.96Å; V142-F225 HydrophobicContact CG1-CE1 3.34Å; V142-F225 HydrophobicContact CG1-CZ 4.09Å; L143-F225 PolarHBondContact O-N 2.83Å; L144-F225 HydrophobicContact CD2-CD1 4.14Å; L144-F225 HydrophobicContact CD2-CD2 4.04Å; L144-F225 HydrophobicContact CD2-CE1 3.74Å; L144-F225 HydrophobicContact CD2-CE2 3.62Å; L144-F225 HydrophobicContact CD2-CG 4.29Å; L144-F225 HydrophobicContact CD2-CZ 3.45Å; L144-F225 VanDerWaalsContact CD2-CZ 3.45Å; A171-F225 HydrophobicContact CB-CB 3.82Å; V223-F225 HydrophobicContact CG1-CD1 4.33Å; F225-L227 HydrophobicContact CE2-CD2 3.95Å; F225-L244 HydrophobicContact CB-CD1 3.64Å; F225-L244 HydrophobicContact CD1-CB 4.3Å; F225-L244 HydrophobicContact CD1-CD1 4.38Å; F225-L244 HydrophobicContact CD2-CB 3.8Å; F225-L244 HydrophobicContact CD2-CD1 3.94Å; F225-L244 HydrophobicContact CE1-CB 4.23Å; F225-L244 HydrophobicContact CE2-CB 3.73Å; F225-L244 HydrophobicContact CG-CB 4.09Å; F225-L244 HydrophobicContact CG-CD1 3.75Å; F225-L244 HydrophobicContact CG-CG 4.48Å; F225-L244 HydrophobicContact CZ-CB 3.97Å; F225-L245 HydrophobicContact CZ-CB 4.42Å; F225-L245 HydrophobicContact CZ-CD1 4.28Å; F225-V248 HydrophobicContact CE1-CG1 3.78Å; F225-V248 HydrophobicContact CE1-CG2 4.15Å; F225-V248 HydrophobicContact CZ-CG1 4.45Å; F225-V248 HydrophobicContact CZ-CG2 4.15Å
226	F	96.7	Very high	92.4	Very high	22 Å²	22	21 Å²	21	10%	0.096	12%	0.121	C	C	.	.			trans	-89	117.8	178.3	-56.6	-83.1	0	0	0	110.2	P145 H147 D152 F153 E228 G229	P145-F226 HydrophobicContact CB-CD1 4.25Å; P145-F226 HydrophobicContact CB-CE1 3.9Å; P145-F226 HydrophobicContact CG-CD1 3.76Å; P145-F226 HydrophobicContact CG-CE1 3.47Å; P145-F226 VanDerWaalsContact CG-CE1 3.47Å; P145-F226 HydrophobicContact CG-CZ 4.07Å; P145-F226 WeakPolarHBondContact O-CD1 3.46Å; H147-F226 HydrophobicContact CB-CB 4.01Å; H147-F226 HydrophobicContact CB-CD1 3.33Å; H147-F226 HydrophobicContact CB-CE1 3.94Å; H147-F226 HydrophobicContact CB-CG 3.77Å; H147-F226 AromaticContact CD2-CD1 3.82Å; H147-F226 AromaticContact CD2-CD2 3.66Å; H147-F226 AromaticContact CD2-CG 3.51Å; H147-F226 AromaticContact CE1-CD2 3.89Å; H147-F226 AromaticContact CE1-CE1 3.69Å; H147-F226 AromaticContact CE1-CE2 3.53Å; H147-F226 AromaticContact CE1-CZ 3.42Å; H147-F226 VanDerWaalsContact CE1-CZ 3.42Å; H147-F226 WeakPolarHBondContact CE1-CZ 3.44Å; H147-F226 AromaticContact CG-CD1 3.27Å; H147-F226 AromaticContact CG-CD2 3.97Å; H147-F226 AromaticContact CG-CE1 3.56Å; H147-F226 AromaticContact CG-CG 3.49Å; H147-F226 VanDerWaalsContact CG-CG 3.49Å; H147-F226 AromaticContact ND1-CD1 3.48Å; H147-F226 WeakPolarHBondContact ND1-CD1 3.49Å; H147-F226 AromaticContact ND1-CE1 3.19Å; H147-F226 WeakPolarHBondContact ND1-CE1 3.42Å; H147-F226 AromaticContact ND1-CE2 3.9Å; H147-F226 AromaticContact ND1-CG 3.92Å; H147-F226 AromaticContact ND1-CZ 3.45Å; H147-F226 WeakPolarHBondContact ND1-CZ 3.26Å; H147-F226 AromaticContact NE2-CD2 3.67Å; H147-F226 AromaticContact NE2-CE2 3.71Å; H147-F226 AromaticContact NE2-CG 4Å; D152-F226 HydrophobicContact CB-CE1 3.87Å; D152-F226 HydrophobicContact CB-CZ 4.01Å; F153-F226 HydrophobicContact CB-CE2 4.33Å; F153-F226 HydrophobicContact CB-CZ 4Å; F226-E228 PolarHBondContact O-N 3.01Å; F226-E228 VanDerWaalsContact O-N 3.16Å; F226-G229 PolarHBondContact O-N 3.25Å
227	L	94.8	Very high	92.5	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.01	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-35.3	177	-75.7	173.8	0	0	0	112.3	L144 F225 G229 P240 K241 L245 L358 V359	L144-L227 HydrophobicContact CB-CD1 4.31Å; L144-L227 HydrophobicContact CB-CG 4.31Å; L144-L227 HydrophobicContact CD1-CD1 4.12Å; L144-L227 HydrophobicContact CD1-CD2 4.32Å; L144-L227 HydrophobicContact CD1-CG 4.28Å; L144-L227 HydrophobicContact CD2-CD2 4.1Å; L144-L227 HydrophobicContact CD2-CG 4.06Å; L144-L227 HydrophobicContact CG-CG 4.45Å; F225-L227 HydrophobicContact CE2-CD2 3.95Å; L227-G229 PolarHBondContact O-N 2.86Å; L227-P240 HydrophobicContact CB-CB 4.4Å; L227-P240 CarbonylContact O-C 3.56Å; L227-P240 WeakPolarHBondContact O-CA 3.32Å; L227-K241 PolarHBondContact O-N 3.32Å; L227-L245 HydrophobicContact CD2-CD1 4.35Å; L227-L245 HydrophobicContact CD2-CD2 4.22Å; L227-L358 HydrophobicContact CD1-CB 3.65Å; L227-V359 HydrophobicContact CB-CG2 4.27Å; L227-V359 HydrophobicContact CD1-CG2 3.9Å
228	E	91	Very high	92.7	Very high	3 Å²	3	19.4 Å²	19.4	1%	0.014	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-21.6	-179.9	-62.8	-179.2	-123.8	0	0	113	H147 R148 F226 T230 L238	H147-E228 PolarHBondContact N-OE1 3.35Å; R148-E228 IonicContact CZ-OE1 3.86Å; R148-E228 IonicContact CZ-OE2 2.93Å; R148-E228 IonicContact NH1-OE1 2.67Å; R148-E228 PolarHBondContact NH1-OE1 3.16Å; R148-E228 IonicContact NH1-OE2 3.06Å; R148-E228 PolarHBondContact NH1-OE2 3.06Å; R148-E228 IonicContact NH2-OE1 3.81Å; R148-E228 PolarHBondContact NH2-OE1 3.47Å; R148-E228 VanDerWaalsContact NH2-OE1 3.16Å; R148-E228 IonicContact NH2-OE2 3.89Å; F226-E228 PolarHBondContact O-N 3.01Å; F226-E228 VanDerWaalsContact O-N 3.16Å; E228-T230 PolarHBondContact O-N 3.21Å; E228-L238 HydrophobicContact CB-CB 4Å; E228-L238 HydrophobicContact CB-CD1 4.47Å; E228-L238 HydrophobicContact CG-CB 4.08Å; E228-L238 WeakPolarHBondContact OE2-CG 3.44Å; E228-L238 PolarHBondContact OE2-N 2.79Å
229	G	89.8	Confident	92.9	Very high	55 Å²	55	20.8 Å²	20.8	57%	0.567	13%	0.126	S	C	*	.	S	Bend	trans	71.5	-16.1	-178.8	0	0	0	0	0	115.8	F226 L227	F226-G229 PolarHBondContact O-N 3.25Å; L227-G229 PolarHBondContact O-N 2.86Å
230	T	90.6	Very high	93.6	Very high	69 Å²	69	20.7 Å²	20.7	42%	0.423	12%	0.123	S	C	.	.	S	Bend	trans	-149.4	162.7	175.6	-170.7	0	0	0	0	111	E228 L238	E228-T230 PolarHBondContact O-N 3.21Å; T230-L238 HydrophobicContact CG2-CD1 3.54Å
231	R	92.6	Very high	94.1	Very high	22 Å²	22	24.4 Å²	24.4	8%	0.083	14%	0.139	C	C	.	.			trans	-71.6	132.9	175.7	-73.1	164.7	-74.6	127.6	-7	110.7	H147 Y150 R233 Y278	H147-R231 HydrophobicContact CB-CG 4.34Å; H147-R231 WeakPolarHBondContact CD2-CG 3.33Å; H147-R231 WeakPolarHBondContact CE1-CG 3.44Å; H147-R231 VanDerWaalsContact CG-CG 3.45Å; H147-R231 WeakPolarHBondContact ND1-CG 3.47Å; H147-R231 VanDerWaalsContact NE2-CG 3.26Å; H147-R231 WeakPolarHBondContact NE2-CG 3.19Å; Y150-R231 PolarHBondContact OH-NH1 2.91Å; Y150-R231 PolarHBondContact OH-NH2 3.25Å; Y150-R231 VanDerWaalsContact OH-NH2 3.07Å; R231-R233 WeakPolarHBondContact O-CD 3.3Å; R231-R233 PolarHBondContact O-N 3.28Å; R231-R233 PolarHBondContact O-NH1 2.96Å; R231-Y278 PolarHBondContact NH1-OH 3.4Å
232	S	94.4	Very high	94.2	Very high	3 Å²	3	26 Å²	26	2%	0.021	15%	0.146	C	C	.	.			trans	-73.9	123.7	172.3	-176.4	0	0	0	0	110.9	H147 T234 A235 K236	H147-S232 PolarHBondContact O-N 2.96Å; S232-T234 VanDerWaalsContact C-N 3.34Å; S232-T234 PolarHBondContact OG-N 2.93Å; S232-T234 PolarHBondContact OG-OG1 2.77Å; S232-A235 PolarHBondContact OG-N 3.33Å; S232-A235 VanDerWaalsContact OG-N 3.12Å; S232-K236 WeakPolarHBondContact CB-O 3.39Å; S232-K236 PolarHBondContact OG-N 3.04Å; S232-K236 PolarHBondContact OG-O 3.08Å
233	R	94.8	Very high	94.1	Very high	47 Å²	47	27.4 Å²	27.4	18%	0.177	16%	0.162	C	C	.	.	S	Bend	trans	-81.9	-19.1	174.2	-84.6	59	177	179.7	2.8	112.3	R231 Y278 E281 L282	R231-R233 WeakPolarHBondContact O-CD 3.3Å; R231-R233 PolarHBondContact O-N 3.28Å; R231-R233 PolarHBondContact O-NH1 2.96Å; R233-Y278 HydrophobicContact CB-CG 4.37Å; R233-Y278 HydrophobicContact CG-CD1 3.83Å; R233-Y278 HydrophobicContact CG-CG 3.89Å; R233-E281 IonicContact CZ-OE2 2.83Å; R233-E281 IonicContact NE-OE2 2.71Å; R233-E281 PolarHBondContact NE-OE2 3Å; R233-E281 IonicContact NH2-OE2 3.97Å; R233-E281 PolarHBondContact NH2-OE2 3.31Å; R233-E281 VanDerWaalsContact NH2-OE2 3.08Å; R233-L282 HydrophobicContact CB-CD1 4.35Å; R233-L282 HydrophobicContact CB-CD2 3.85Å; R233-L282 HydrophobicContact CB-CG 4Å
234	T	95	Very high	93.9	Very high	6 Å²	6	28.6 Å²	28.6	4%	0.037	17%	0.168	C	C	.	.	S	Bend	trans	-104.4	3.6	-177.5	56.1	0	0	0	0	112.1	S232 K236 L282 N481 D624	S232-T234 VanDerWaalsContact C-N 3.34Å; S232-T234 PolarHBondContact OG-N 2.93Å; S232-T234 PolarHBondContact OG-OG1 2.77Å; T234-K236 PolarHBondContact O-N 3.48Å; T234-K236 WeakPolarHBondContact OG1-CE 3.48Å; T234-L282 HydrophobicContact CG2-CD1 3.91Å; T234-L282 HydrophobicContact CG2-CD2 3.9Å; T234-N481 WeakPolarHBondContact O-CB 3.47Å; T234-N481 PolarHBondContact O-ND2 3.34Å; T234-D624 HydrophobicContact CG2-CB 3.73Å; T234-D624 PolarHBondContact OG1-OD2 3.12Å
235	A	94.9	Very high	93.8	Very high	14 Å²	14	28.6 Å²	28.6	12%	0.116	17%	0.168	C	C	.	.	S	Bend	trans	59.7	-0.8	-174	0	0	0	0	0	116.6	R148 S232 S478 Q482	R148-A235 PolarHBondContact NE-O 2.96Å; S232-A235 PolarHBondContact OG-N 3.33Å; S232-A235 VanDerWaalsContact OG-N 3.12Å; A235-S478 VanDerWaalsContact CB-O 3.25Å; A235-S478 WeakPolarHBondContact CB-O 3.39Å; A235-Q482 HydrophobicContact CB-CG 3.98Å
236	K	94.8	Very high	93.7	Very high	13 Å²	13	30.4 Å²	30.4	6%	0.057	18%	0.178	C	C	.	.	S	Bend	trans	-69.6	148.8	167.7	-58.8	179.7	-67.7	150.3	0	110.6	S232 T234 N481 E522 F523 D624	S232-K236 WeakPolarHBondContact CB-O 3.39Å; S232-K236 PolarHBondContact OG-N 3.04Å; S232-K236 PolarHBondContact OG-O 3.08Å; T234-K236 PolarHBondContact O-N 3.48Å; T234-K236 WeakPolarHBondContact OG1-CE 3.48Å; K236-N481 HydrophobicContact CG-CB 3.73Å; K236-E522 PolarHBondContact NZ-O 3.39Å; K236-E522 IonicContact NZ-OE1 2.83Å; K236-E522 PolarHBondContact NZ-OE1 2.97Å; K236-E522 IonicContact NZ-OE2 3.26Å; K236-F523 HydrophobicContact CD-CD1 4.43Å; K236-F523 HydrophobicContact CD-CE1 4.32Å; K236-D624 IonicContact NZ-OD2 3.18Å; K236-D624 PolarHBondContact NZ-OD2 3.06Å
237	S	94.3	Very high	93.6	Very high	6 Å²	6	29.7 Å²	29.7	4%	0.042	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-64.4	139.4	166.4	-46.6	0	0	0	0	110.5	R148 E363 I524	R148-S237 VanDerWaalsContact NH2-CA 3.33Å; R148-S237 PolarHBondContact NH2-OG 3.2Å; S237-E363 WeakPolarHBondContact CB-OE1 3.35Å; S237-E363 VanDerWaalsContact OG-CG 3.28Å; S237-E363 WeakPolarHBondContact OG-CG 3.28Å; S237-E363 PolarHBondContact OG-OE1 2.97Å; S237-I524 WeakPolarHBondContact O-CD1 3.32Å; S237-I524 WeakPolarHBondContact O-CG1 3.47Å
238	L	93.8	Very high	93.7	Very high	32 Å²	32	29.6 Å²	29.6	17%	0.168	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-97.8	158.7	178.5	-55	178.4	0	0	0	112.2	E228 T230 I524	E228-L238 HydrophobicContact CB-CB 4Å; E228-L238 HydrophobicContact CB-CD1 4.47Å; E228-L238 HydrophobicContact CG-CB 4.08Å; E228-L238 WeakPolarHBondContact OE2-CG 3.44Å; E228-L238 PolarHBondContact OE2-N 2.79Å; T230-L238 HydrophobicContact CG2-CD1 3.54Å; L238-I524 WeakPolarHBondContact O-CD1 3.2Å
239	T	93.2	Very high	93.9	Very high	55 Å²	55	29.5 Å²	29.5	34%	0.337	17%	0.174	S	C	.	.	P	Polyproline II helix	trans	-57.7	127.7	175.9	-51.9	0	0	0	0	110	F356	T239-F356 HydrophobicContact CG2-CZ 4.06Å
240	P	94.6	Very high	94.1	Very high	8 Å²	8	28 Å²	28	5%	0.052	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-64.7	143.7	-175.1	24.8	-33.7	0	0	0	112.4	L227 A355 F356 V359	L227-P240 HydrophobicContact CB-CB 4.4Å; L227-P240 CarbonylContact O-C 3.56Å; L227-P240 WeakPolarHBondContact O-CA 3.32Å; P240-A355 HydrophobicContact CB-CB 3.69Å; P240-A355 HydrophobicContact CG-CB 3.66Å; P240-F356 HydrophobicContact CG-CD2 3.94Å; P240-F356 HydrophobicContact CG-CE2 3.95Å; P240-F356 HydrophobicContact CG-CG 4.39Å; P240-F356 HydrophobicContact CG-CZ 4.43Å; P240-V359 HydrophobicContact CB-CG2 4.21Å; P240-V359 HydrophobicContact CG-CG2 4.4Å
241	K	92.9	Very high	94.3	Very high	137 Å²	137	24.8 Å²	24.8	60%	0.596	13%	0.133	S	C	*	.	P	Polyproline II helix	trans	-96.1	117.4	172.4	-61.4	-59.8	-176.6	-174.5	0	109.4	L227 G243	L227-K241 PolarHBondContact O-N 3.32Å; K241-G243 VanDerWaalsContact C-N 3.32Å; K241-G243 PolarHBondContact O-N 3.48Å
242	L	93.1	Very high	94.4	Very high	43 Å²	43	23.8 Å²	23.8	23%	0.225	13%	0.129	C	C	.	.	H	α-helix	trans	-79.5	-9.5	-170.1	-50.7	-177.2	0	0	0	114.4	L245 N246 V351 N352 A355	L242-L245 PolarHBondContact O-N 2.79Å; L242-N246 WeakPolarHBondContact O-CB 3.3Å; L242-N246 PolarHBondContact O-N 2.66Å; L242-N246 PolarHBondContact O-ND2 3.18Å; L242-V351 HydrophobicContact CB-CG1 4.39Å; L242-V351 HydrophobicContact CD2-CG1 4.43Å; L242-N352 HydrophobicContact CD1-CB 3.76Å; L242-N352 HydrophobicContact CD2-CB 4.46Å; L242-A355 HydrophobicContact CD2-CB 3.62Å
243	G	91.6	Very high	94.4	Very high	35 Å²	35	24 Å²	24	36%	0.361	13%	0.13	S	C	.	.	H	α-helix	trans	-55.3	-61	-171.7	0	0	0	0	0	113.7	K241 L245 N246 I247	K241-G243 VanDerWaalsContact C-N 3.32Å; K241-G243 PolarHBondContact O-N 3.48Å; G243-L245 VanDerWaalsContact C-N 3.34Å; G243-N246 PolarHBondContact O-N 3.22Å; G243-I247 WeakPolarHBondContact O-CG1 3.11Å; G243-I247 PolarHBondContact O-N 3.27Å
244	L	94.3	Very high	94.3	Very high	26 Å²	26	22.2 Å²	22.2	14%	0.136	12%	0.124	C	C	.	.	H	α-helix	trans	-64.6	-38.3	176.4	-86.7	170.4	0	0	0	112.2	A171 F208 V212 F225 N246 I247 V248	A171-L244 HydrophobicContact CB-CD1 3.77Å; F208-L244 HydrophobicContact CE1-CD2 3.88Å; F208-L244 HydrophobicContact CZ-CD2 3.62Å; F208-L244 HydrophobicContact CZ-CG 4.38Å; V212-L244 HydrophobicContact CG2-CD2 4.37Å; F225-L244 HydrophobicContact CB-CD1 3.64Å; F225-L244 HydrophobicContact CD1-CB 4.3Å; F225-L244 HydrophobicContact CD1-CD1 4.38Å; F225-L244 HydrophobicContact CD2-CB 3.8Å; F225-L244 HydrophobicContact CD2-CD1 3.94Å; F225-L244 HydrophobicContact CE1-CB 4.23Å; F225-L244 HydrophobicContact CE2-CB 3.73Å; F225-L244 HydrophobicContact CG-CB 4.09Å; F225-L244 HydrophobicContact CG-CD1 3.75Å; F225-L244 HydrophobicContact CG-CG 4.48Å; F225-L244 HydrophobicContact CZ-CB 3.97Å; L244-N246 VanDerWaalsContact C-N 3.32Å; L244-N246 PolarHBondContact O-N 3.28Å; L244-I247 HydrophobicContact CD2-CD1 4.49Å; L244-I247 PolarHBondContact O-N 3.15Å; L244-I247 VanDerWaalsContact O-N 3.1Å; L244-V248 WeakPolarHBondContact O-CG1 3.25Å; L244-V248 PolarHBondContact O-N 3.29Å
245	L	96	Very high	94.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.7	-40.6	179.2	-169.1	63.2	0	0	0	112	F225 L227 L242 G243 I247 V248 M249 L262 V351 A355	F225-L245 HydrophobicContact CZ-CB 4.42Å; F225-L245 HydrophobicContact CZ-CD1 4.28Å; L227-L245 HydrophobicContact CD2-CD1 4.35Å; L227-L245 HydrophobicContact CD2-CD2 4.22Å; L242-L245 PolarHBondContact O-N 2.79Å; G243-L245 VanDerWaalsContact C-N 3.34Å; L245-I247 VanDerWaalsContact C-N 3.34Å; L245-I247 PolarHBondContact O-N 3.19Å; L245-V248 HydrophobicContact CD1-CG2 4Å; L245-V248 VanDerWaalsContact O-CG2 3.32Å; L245-V248 WeakPolarHBondContact O-CG2 3.39Å; L245-V248 PolarHBondContact O-N 3.37Å; L245-M249 HydrophobicContact CD1-CE 3.91Å; L245-M249 HydrophobicContact CD1-CG 4.43Å; L245-M249 HydrophobicContact CG-CE 4.28Å; L245-M249 HydrophobicContact CG-CG 4.39Å; L245-M249 WeakPolarHBondContact O-CB 3.48Å; L245-M249 WeakPolarHBondContact O-CG 3.36Å; L245-M249 PolarHBondContact O-N 3.27Å; L245-L262 HydrophobicContact CD1-CD2 4.2Å; L245-V351 HydrophobicContact CB-CG1 4.17Å; L245-V351 HydrophobicContact CD2-CG1 3.75Å; L245-V351 HydrophobicContact CG-CG1 3.85Å; L245-A355 HydrophobicContact CD2-CB 3.53Å
246	N	94.7	Very high	94	Very high	41 Å²	41	26 Å²	26	22%	0.219	15%	0.147	C	C	.	.	H	α-helix	trans	-60.3	-43.9	173	-80.1	-53.5	0	0	0	111.5	L242 G243 L244 M249 D250 V351	L242-N246 WeakPolarHBondContact O-CB 3.3Å; L242-N246 PolarHBondContact O-N 2.66Å; L242-N246 PolarHBondContact O-ND2 3.18Å; G243-N246 PolarHBondContact O-N 3.22Å; L244-N246 VanDerWaalsContact C-N 3.32Å; L244-N246 PolarHBondContact O-N 3.28Å; N246-M249 PolarHBondContact O-N 3.47Å; N246-D250 PolarHBondContact O-N 3.31Å; N246-V351 WeakPolarHBondContact OD1-CG1 3.36Å; N246-V351 WeakPolarHBondContact OD1-CG2 3.08Å
247	I	95.1	Very high	93.9	Very high	7 Å²	7	26 Å²	26	4%	0.036	15%	0.148	C	C	.	.	H	α-helix	trans	-63.4	-43.9	180	-65.1	166.1	0	0	0	110.9	W205 F208 V212 K213 G243 L244 L245 M249 D250 P251	W205-I247 HydrophobicContact CH2-CD1 3.53Å; W205-I247 HydrophobicContact CH2-CG1 4.1Å; W205-I247 HydrophobicContact CZ2-CD1 3.86Å; W205-I247 HydrophobicContact CZ2-CG1 4.03Å; W205-I247 HydrophobicContact CZ3-CD1 4.06Å; F208-I247 HydrophobicContact CD1-CD1 3.8Å; F208-I247 HydrophobicContact CE1-CD1 3.51Å; V212-I247 HydrophobicContact CB-CG2 3.78Å; V212-I247 HydrophobicContact CG1-CG2 3.75Å; K213-I247 HydrophobicContact CG-CG2 4.04Å; G243-I247 WeakPolarHBondContact O-CG1 3.11Å; G243-I247 PolarHBondContact O-N 3.27Å; L244-I247 HydrophobicContact CD2-CD1 4.49Å; L244-I247 PolarHBondContact O-N 3.15Å; L244-I247 VanDerWaalsContact O-N 3.1Å; L245-I247 VanDerWaalsContact C-N 3.34Å; L245-I247 PolarHBondContact O-N 3.19Å; I247-M249 VanDerWaalsContact C-N 3.33Å; I247-M249 PolarHBondContact O-N 3.18Å; I247-D250 PolarHBondContact O-N 2.65Å; I247-P251 WeakPolarHBondContact O-CD 3.46Å
248	V	96.3	Very high	93.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-74.5	-23.8	-178.1	-54.3	0	0	0	0	113.4	V142 V212 L216 F225 L244 L245 L262	V142-V248 HydrophobicContact CG2-CB 4.04Å; V142-V248 HydrophobicContact CG2-CG1 4.27Å; V142-V248 HydrophobicContact CG2-CG2 4.24Å; V212-V248 HydrophobicContact CG1-CG1 3.97Å; L216-V248 HydrophobicContact CD1-CB 3.5Å; L216-V248 VanDerWaalsContact CD1-CB 3.5Å; L216-V248 HydrophobicContact CD1-CG1 3.59Å; F225-V248 HydrophobicContact CE1-CG1 3.78Å; F225-V248 HydrophobicContact CE1-CG2 4.15Å; F225-V248 HydrophobicContact CZ-CG1 4.45Å; F225-V248 HydrophobicContact CZ-CG2 4.15Å; L244-V248 WeakPolarHBondContact O-CG1 3.25Å; L244-V248 PolarHBondContact O-N 3.29Å; L245-V248 HydrophobicContact CD1-CG2 4Å; L245-V248 VanDerWaalsContact O-CG2 3.32Å; L245-V248 WeakPolarHBondContact O-CG2 3.39Å; L245-V248 PolarHBondContact O-N 3.37Å; V248-L262 HydrophobicContact CG2-CD2 4.41Å
249	M	95.3	Very high	93.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-79.9	-27.7	174.1	-67.7	-77.6	-166.2	0	0	112.5	L245 N246 I247 F252 L253 L262 A319 L322	L245-M249 HydrophobicContact CD1-CE 3.91Å; L245-M249 HydrophobicContact CD1-CG 4.43Å; L245-M249 HydrophobicContact CG-CE 4.28Å; L245-M249 HydrophobicContact CG-CG 4.39Å; L245-M249 WeakPolarHBondContact O-CB 3.48Å; L245-M249 WeakPolarHBondContact O-CG 3.36Å; L245-M249 PolarHBondContact O-N 3.27Å; N246-M249 PolarHBondContact O-N 3.47Å; I247-M249 VanDerWaalsContact C-N 3.33Å; I247-M249 PolarHBondContact O-N 3.18Å; M249-F252 PolarHBondContact O-N 3.1Å; M249-F252 VanDerWaalsContact O-N 3.12Å; M249-L253 HydrophobicContact CB-CD1 4.33Å; M249-L253 WeakPolarHBondContact O-CG 3.45Å; M249-L253 PolarHBondContact O-N 3.25Å; M249-L262 HydrophobicContact CE-CD1 3.24Å; M249-L262 HydrophobicContact CE-CD2 4.24Å; M249-L262 HydrophobicContact CE-CG 4.35Å; M249-L262 HydrophobicContact SD-CD1 4.17Å; M249-A319 HydrophobicContact SD-CB 3.83Å; M249-L322 HydrophobicContact CE-CD1 4.46Å
250	D	94.4	Very high	94.1	Very high	25 Å²	25	27.6 Å²	27.6	13%	0.134	15%	0.149	C	C	.	.	H	α-helix	trans	-56	-45.4	-174.3	-171.5	65.4	0	0	0	113.8	K213 N246 I247 F252 L253 K254	K213-D250 VanDerWaalsContact CE-OD2 3.25Å; K213-D250 WeakPolarHBondContact CE-OD2 3.41Å; K213-D250 IonicContact NZ-OD2 3.72Å; K213-D250 PolarHBondContact NZ-OD2 3.2Å; N246-D250 PolarHBondContact O-N 3.31Å; I247-D250 PolarHBondContact O-N 2.65Å; D250-F252 VanDerWaalsContact C-N 3.28Å; D250-F252 PolarHBondContact O-N 3.47Å; D250-L253 PolarHBondContact O-N 3.01Å; D250-K254 WeakPolarHBondContact O-CB 3.34Å; D250-K254 PolarHBondContact O-N 2.96Å; D250-K254 WeakPolarHBondContact OD1-CE 3.3Å; D250-K254 IonicContact OD1-NZ 2.88Å; D250-K254 WeakPolarHBondContact OD2-CE 3.35Å; D250-K254 IonicContact OD2-NZ 2.84Å; D250-K254 PolarHBondContact OD2-NZ 3Å
251	P	94.4	Very high	94.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.1	-37.7	176.6	-27.4	36.3	0	0	0	113.6	K213 K217 I247 G255 Q256 V257	K213-P251 HydrophobicContact CB-CG 4.1Å; K213-P251 HydrophobicContact CG-CG 3.87Å; K217-P251 HydrophobicContact CG-CB 4.46Å; I247-P251 WeakPolarHBondContact O-CD 3.46Å; P251-G255 PolarHBondContact O-N 3.27Å; P251-Q256 HydrophobicContact CB-CB 4.23Å; P251-Q256 WeakPolarHBondContact O-CA 3.18Å; P251-Q256 WeakPolarHBondContact O-CB 3.46Å; P251-Q256 PolarHBondContact O-N 2.69Å; P251-V257 HydrophobicContact CB-CG1 4.22Å; P251-V257 HydrophobicContact CB-CG2 3.9Å; P251-V257 PolarHBondContact O-N 3.22Å
252	F	94.9	Very high	94.5	Very high	1 Å²	1	21.1 Å²	21.1	0%	0.004	12%	0.121	C	C	.	.	H	α-helix	trans	-69.8	-48.5	176	160.3	-102.3	0	0	0	110.8	M249 D250 K254 G255 V257 V260 A319 R320 A323 R329	M249-F252 PolarHBondContact O-N 3.1Å; M249-F252 VanDerWaalsContact O-N 3.12Å; D250-F252 VanDerWaalsContact C-N 3.28Å; D250-F252 PolarHBondContact O-N 3.47Å; F252-K254 VanDerWaalsContact C-N 3.31Å; F252-K254 PolarHBondContact O-N 3.35Å; F252-G255 PolarHBondContact O-N 3.02Å; F252-V257 HydrophobicContact CB-CG2 4.08Å; F252-V260 HydrophobicContact CB-CG2 4.18Å; F252-A319 HydrophobicContact CD1-CB 3.95Å; F252-A319 HydrophobicContact CE1-CB 4.43Å; F252-A319 HydrophobicContact CG-CB 4.1Å; F252-R320 HydrophobicContact CE2-CB 3.63Å; F252-R320 HydrophobicContact CE2-CG 4.23Å; F252-R320 HydrophobicContact CZ-CB 3.93Å; F252-R320 HydrophobicContact CZ-CG 4.44Å; F252-A323 HydrophobicContact CE1-CB 3.64Å; F252-A323 HydrophobicContact CZ-CB 3.92Å; F252-R329 VanDerWaalsContact O-CZ 3.31Å; F252-R329 PolarHBondContact O-NE 3.18Å; F252-R329 PolarHBondContact O-NH2 2.7Å
253	L	94.1	Very high	94.7	Very high	7 Å²	7	19.1 Å²	19.1	4%	0.037	11%	0.111	C	C	.	.	H	α-helix	trans	-56.8	-44.7	-179.6	-69.6	176.7	0	0	0	111.8	M249 D250 G255 V327 F332 I347	M249-L253 HydrophobicContact CB-CD1 4.33Å; M249-L253 WeakPolarHBondContact O-CG 3.45Å; M249-L253 PolarHBondContact O-N 3.25Å; D250-L253 PolarHBondContact O-N 3.01Å; L253-G255 VanDerWaalsContact C-N 3.28Å; L253-G255 PolarHBondContact O-N 3.41Å; L253-V327 HydrophobicContact CD2-CG1 3.85Å; L253-F332 HydrophobicContact CB-CD1 4.43Å; L253-F332 HydrophobicContact CB-CD2 4.46Å; L253-F332 HydrophobicContact CB-CE1 4.02Å; L253-F332 HydrophobicContact CB-CE2 4.06Å; L253-F332 HydrophobicContact CB-CZ 3.82Å; L253-F332 HydrophobicContact CD1-CE1 4.46Å; L253-F332 HydrophobicContact CD1-CZ 4.01Å; L253-F332 HydrophobicContact CD2-CE2 4.28Å; L253-F332 HydrophobicContact CD2-CZ 4.31Å; L253-F332 HydrophobicContact CG-CZ 4.28Å; L253-I347 HydrophobicContact CD1-CG2 3.98Å
254	K	92.9	Very high	95	Very high	11 Å²	11	17.5 Å²	17.5	5%	0.048	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-2.4	177	-67.6	-177	174.7	179.7	0	114.7	D250 F252 Q256 F332 R337	D250-K254 WeakPolarHBondContact O-CB 3.34Å; D250-K254 PolarHBondContact O-N 2.96Å; D250-K254 WeakPolarHBondContact OD1-CE 3.3Å; D250-K254 IonicContact OD1-NZ 2.88Å; D250-K254 WeakPolarHBondContact OD2-CE 3.35Å; D250-K254 IonicContact OD2-NZ 2.84Å; D250-K254 PolarHBondContact OD2-NZ 3Å; F252-K254 VanDerWaalsContact C-N 3.31Å; F252-K254 PolarHBondContact O-N 3.35Å; K254-Q256 VanDerWaalsContact C-N 3.33Å; K254-Q256 HydrophobicContact CB-CG 4.29Å; K254-Q256 PolarHBondContact O-N 3.25Å; K254-F332 HydrophobicContact CG-CB 4.45Å; K254-F332 HydrophobicContact CG-CD1 4.02Å; K254-R337 PolarHBondContact NZ-O 3.06Å; K254-R337 PolarHBondContact O-NE 3.3Å; K254-R337 VanDerWaalsContact O-NE 3.1Å
255	G	92.1	Very high	95.2	Very high	31 Å²	31	16.2 Å²	16.2	32%	0.32	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	29.4	179.5	0	0	0	0	0	114.6	P251 F252 L253 R329	P251-G255 PolarHBondContact O-N 3.27Å; F252-G255 PolarHBondContact O-N 3.02Å; L253-G255 VanDerWaalsContact C-N 3.28Å; L253-G255 PolarHBondContact O-N 3.41Å; G255-R329 VanDerWaalsContact CA-NH2 3.29Å
256	Q	91.8	Very high	95.3	Very high	67 Å²	67	16.3 Å²	16.3	31%	0.313	9%	0.087	S	C	.	.	S	Bend	trans	-80.8	-26.1	170.3	-62.3	176.6	-48	0	0	111.8	K217 P251 K254	K217-Q256 HydrophobicContact CD-CB 4.27Å; K217-Q256 HydrophobicContact CG-CB 4.43Å; P251-Q256 HydrophobicContact CB-CB 4.23Å; P251-Q256 WeakPolarHBondContact O-CA 3.18Å; P251-Q256 WeakPolarHBondContact O-CB 3.46Å; P251-Q256 PolarHBondContact O-N 2.69Å; K254-Q256 VanDerWaalsContact C-N 3.33Å; K254-Q256 HydrophobicContact CB-CG 4.29Å; K254-Q256 PolarHBondContact O-N 3.25Å
257	V	92.8	Very high	95.5	Very high	15 Å²	15	14.5 Å²	14.5	9%	0.091	8%	0.078	C	C	.	.	S	Bend	trans	-127.1	153.7	169.3	-58.4	0	0	0	0	110	P140 K217 P251 F252 V260	P140-V257 HydrophobicContact CG-CG1 4.41Å; K217-V257 HydrophobicContact CG-CG1 4.23Å; P251-V257 HydrophobicContact CB-CG1 4.22Å; P251-V257 HydrophobicContact CB-CG2 3.9Å; P251-V257 PolarHBondContact O-N 3.22Å; F252-V257 HydrophobicContact CB-CG2 4.08Å; V257-V260 HydrophobicContact CG2-CG2 3.73Å
258	F	93	Very high	95.6	Very high	119 Å²	119	14.3 Å²	14.3	52%	0.522	8%	0.077	S	C	.	.	S	Bend	trans	-69.2	-40.1	-178.7	-178.9	-94.4	0	0	0	112.6	H139 R320	H139-F258 AromaticContact CE1-CD1 3.69Å; F258-R320 VanDerWaalsContact CZ-NH2 3.25Å; F258-R320 PolarHBondContact O-NE 2.87Å; F258-R320 PolarHBondContact O-NH2 2.83Å
259	D	95.1	Very high	95.6	Very high	7 Å²	7	14.7 Å²	14.7	4%	0.037	8%	0.079	C	C	.	.			trans	-160	167.5	178.6	-159.3	2.9	0	0	0	110.6	H139 S318 A319 R320	H139-D259 IonicContact CD2-OD2 3.98Å; D259-S318 VanDerWaalsContact CG-OG 3.28Å; D259-S318 PolarHBondContact OD1-OG 3.27Å; D259-S318 VanDerWaalsContact OD2-CB 3.22Å; D259-S318 WeakPolarHBondContact OD2-CB 3.44Å; D259-S318 PolarHBondContact OD2-OG 3.27Å; D259-A319 PolarHBondContact OD1-N 2.97Å; D259-A319 VanDerWaalsContact OD1-N 3.11Å; D259-R320 HydrophobicContact CB-CB 4.43Å; D259-R320 WeakPolarHBondContact OD1-CB 3.5Å; D259-R320 PolarHBondContact OD1-N 2.88Å
260	V	96.3	Very high	95.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.081	C	C	.	.			trans	-133.4	129.5	171.3	177.3	0	0	0	0	108.3	V142 L216 F252 V257 L262 A319	V142-V260 HydrophobicContact CG2-CG1 3.75Å; L216-V260 HydrophobicContact CD2-CG1 4.48Å; F252-V260 HydrophobicContact CB-CG2 4.18Å; V257-V260 HydrophobicContact CG2-CG2 3.73Å; V260-L262 HydrophobicContact CG1-CD2 4.29Å; V260-A319 HydrophobicContact CB-CB 4.09Å; V260-A319 WeakPolarHBondContact O-CB 3.37Å; V260-A319 PolarHBondContact O-N 2.76Å
261	S	97.2	Very high	95.6	Very high	9 Å²	9	15.1 Å²	15.1	6%	0.063	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	109.4	179	-71.4	0	0	0	0	110.7	P140 V141 V142	P140-S261 PolarHBondContact O-N 2.85Å; V141-S261 WeakPolarHBondContact CA-O 3.48Å; V142-S261 PolarHBondContact N-O 3.46Å
262	L	98.5	Very high	95.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	114.1	179	-54.2	158	0	0	0	108.9	V142 L144 L245 V248 M249 V260 P264 V317 L322 L358	V142-L262 HydrophobicContact CB-CD2 4.06Å; V142-L262 HydrophobicContact CG1-CD2 4.4Å; V142-L262 HydrophobicContact CG2-CD2 4.33Å; L144-L262 HydrophobicContact CD1-CB 4.12Å; L144-L262 HydrophobicContact CD1-CD2 4.39Å; L245-L262 HydrophobicContact CD1-CD2 4.2Å; V248-L262 HydrophobicContact CG2-CD2 4.41Å; M249-L262 HydrophobicContact CE-CD1 3.24Å; M249-L262 HydrophobicContact CE-CD2 4.24Å; M249-L262 HydrophobicContact CE-CG 4.35Å; M249-L262 HydrophobicContact SD-CD1 4.17Å; V260-L262 HydrophobicContact CG1-CD2 4.29Å; L262-P264 WeakPolarHBondContact O-CD 3.4Å; L262-V317 HydrophobicContact CB-CB 4.39Å; L262-V317 WeakPolarHBondContact CB-O 3.48Å; L262-V317 PolarHBondContact N-O 3.12Å; L262-V317 PolarHBondContact O-N 2.96Å; L262-L322 HydrophobicContact CD1-CD1 3.82Å; L262-L358 HydrophobicContact CB-CD1 4.4Å; L262-L358 HydrophobicContact CB-CD2 4.04Å; L262-L358 HydrophobicContact CD1-CD1 4.14Å
263	V	98.4	Very high	95.3	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.006	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	103.6	-173.2	-174.9	0	0	0	0	109.7	L132 V141 V142 L143 L144 V265 P316	L132-V263 HydrophobicContact CD1-CG2 4.19Å; V141-V263 HydrophobicContact CG1-CG2 3.87Å; V142-V263 PolarHBondContact O-N 2.95Å; L143-V263 HydrophobicContact CD2-CB 4.01Å; L143-V263 HydrophobicContact CD2-CG1 4.29Å; L143-V263 HydrophobicContact CD2-CG2 4.48Å; L144-V263 PolarHBondContact N-O 3.33Å; V263-V265 HydrophobicContact CG1-CG2 4.29Å; V263-V265 PolarHBondContact O-N 2.8Å; V263-P316 HydrophobicContact CG2-CB 4Å; V263-P316 HydrophobicContact CG2-CG 4.07Å
264	P	98.3	Very high	95.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	127.9	173.4	28.1	-31	0	0	0	109.9	L262 G314 S361 Q362	L262-P264 WeakPolarHBondContact O-CD 3.4Å; P264-G314 WeakPolarHBondContact O-CA 3.5Å; P264-G314 PolarHBondContact O-N 3.21Å; P264-S361 WeakPolarHBondContact CG-OG 3.41Å; P264-Q362 HydrophobicContact CB-CG 3.87Å
265	V	98.6	Very high	94.9	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.7	177.3	-175.2	0	0	0	0	109	L144 P145 S146 V263 I267 V311 Y312 F313	L144-V265 PolarHBondContact O-N 2.85Å; P145-V265 CarbonylContact C-O 3.6Å; P145-V265 VanDerWaalsContact CA-O 3.29Å; P145-V265 WeakPolarHBondContact CA-O 3.44Å; P145-V265 HydrophobicContact CB-CB 4.2Å; S146-V265 PolarHBondContact N-O 3.38Å; V263-V265 HydrophobicContact CG1-CG2 4.29Å; V263-V265 PolarHBondContact O-N 2.8Å; V265-I267 HydrophobicContact CG1-CG1 4.41Å; V265-V311 HydrophobicContact CG1-CG1 3.75Å; V265-Y312 WeakPolarHBondContact CA-O 3.34Å; V265-F313 HydrophobicContact CG1-CD1 4.27Å; V265-F313 HydrophobicContact CG1-CE1 4.22Å; V265-F313 HydrophobicContact CG1-CZ 4.44Å; V265-F313 HydrophobicContact CG2-CD1 3.64Å; V265-F313 HydrophobicContact CG2-CE1 3.89Å; V265-F313 HydrophobicContact CG2-CG 4.45Å
266	S	97.8	Very high	94.7	Very high	1 Å²	1	19 Å²	19	1%	0.007	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	127	177.2	-163	0	0	0	0	110	V311 Y312 Q362 M366	S266-V311 WeakPolarHBondContact O-CA 3.26Å; S266-Y312 PolarHBondContact N-O 2.69Å; S266-Y312 PolarHBondContact O-N 2.87Å; S266-Q362 WeakPolarHBondContact CB-O 3.28Å; S266-Q362 PolarHBondContact OG-O 2.83Å; S266-M366 VanDerWaalsContact OG-CA 3.27Å; S266-M366 WeakPolarHBondContact OG-CA 3.36Å; S266-M366 PolarHBondContact OG-N 3.35Å
267	I	98.1	Very high	94.6	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.021	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	115.3	-179.9	-51.4	175.2	0	0	0	108.3	P145 S146 D152 L155 V156 V265 Y269 I309 V311	P145-I267 HydrophobicContact CB-CD1 4.12Å; S146-I267 PolarHBondContact OG-N 2.82Å; D152-I267 HydrophobicContact CB-CD1 3.81Å; L155-I267 HydrophobicContact CD2-CG2 3.83Å; V156-I267 HydrophobicContact CG2-CD1 4.13Å; V265-I267 HydrophobicContact CG1-CG1 4.41Å; I267-Y269 HydrophobicContact CB-CE2 4.25Å; I267-Y269 HydrophobicContact CG2-CD2 4.03Å; I267-Y269 HydrophobicContact CG2-CE1 4.46Å; I267-Y269 HydrophobicContact CG2-CE2 3.32Å; I267-I309 HydrophobicContact CG2-CG2 4.02Å; I267-V311 HydrophobicContact CG1-CG1 4.42Å; I267-V311 HydrophobicContact CG2-CG2 4.33Å
268	S	97.6	Very high	94.6	Very high	3 Å²	3	17.9 Å²	17.9	2%	0.021	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	112	-175.8	-53.1	0	0	0	0	110.3	I309 H310 M366 V367	S268-I309 CarbonylContact O-C 3.51Å; S268-I309 WeakPolarHBondContact O-CA 3.19Å; S268-H310 PolarHBondContact N-O 2.9Å; S268-H310 PolarHBondContact O-N 3.26Å; S268-M366 WeakPolarHBondContact OG-CG 3.48Å; S268-V367 WeakPolarHBondContact CB-O 3.22Å; S268-V367 PolarHBondContact OG-N 3.29Å; S268-V367 PolarHBondContact OG-O 3.08Å
269	Y	96.8	Very high	94.6	Very high	8 Å²	8	12.4 Å²	12.4	3%	0.031	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	138.6	178.2	-63.5	-93.7	0	0	0	110.3	R148 D152 I267 I272 I309	R148-Y269 HydrophobicContact CB-CE2 4.44Å; D152-Y269 VanDerWaalsContact OD1-CE2 3.25Å; D152-Y269 WeakPolarHBondContact OD1-CE2 3.44Å; D152-Y269 PolarHBondContact OD1-OH 3.14Å; I267-Y269 HydrophobicContact CB-CE2 4.25Å; I267-Y269 HydrophobicContact CG2-CD2 4.03Å; I267-Y269 HydrophobicContact CG2-CE1 4.46Å; I267-Y269 HydrophobicContact CG2-CE2 3.32Å; Y269-I272 HydrophobicContact CD1-CG2 4.32Å; Y269-I272 HydrophobicContact CD2-CG2 3.88Å; Y269-I272 HydrophobicContact CG-CG2 3.71Å; Y269-I309 HydrophobicContact CD1-CD1 3.89Å; Y269-I309 HydrophobicContact CD1-CG1 3.67Å; Y269-I309 HydrophobicContact CD1-CG2 4.21Å; Y269-I309 HydrophobicContact CE1-CD1 3.61Å; Y269-I309 HydrophobicContact CE1-CG1 3.89Å; Y269-I309 HydrophobicContact CE1-CG2 4.15Å
270	E	95.3	Very high	94.5	Very high	11 Å²	11	16.3 Å²	16.3	5%	0.051	8%	0.082	C	C	.	.	S	Bend	trans	-70.7	-40.2	166	-159.6	171.3	176	0	0	110.7	R120 G307 S308 K369 L431 H432 Y479	R120-E270 IonicContact NH2-OE1 2.69Å; R120-E270 IonicContact NH2-OE2 2.67Å; R120-E270 PolarHBondContact NH2-OE2 2.78Å; R120-E270 VanDerWaalsContact NH2-OE2 3.16Å; E270-G307 WeakPolarHBondContact OE2-CA 3.45Å; E270-S308 WeakPolarHBondContact CB-O 3.46Å; E270-S308 PolarHBondContact N-O 3Å; E270-S308 PolarHBondContact OE2-N 2.94Å; E270-S308 PolarHBondContact OE2-OG 3.38Å; E270-K369 HydrophobicContact CB-CG 4.3Å; E270-K369 HydrophobicContact CG-CB 4.46Å; E270-K369 HydrophobicContact CG-CG 4.19Å; E270-L431 HydrophobicContact CB-CD2 4.3Å; E270-L431 HydrophobicContact CG-CD2 3.49Å; E270-L431 VanDerWaalsContact CG-CD2 3.49Å; E270-L431 WeakPolarHBondContact OE1-CD2 3.39Å; E270-H432 PolarHBondContact O-NE2 3.21Å; E270-H432 VanDerWaalsContact O-NE2 3.16Å; E270-Y479 VanDerWaalsContact O-CE1 3.31Å; E270-Y479 WeakPolarHBondContact O-CE1 3.08Å
271	R	94.2	Very high	94.3	Very high	23 Å²	23	17.6 Å²	17.6	9%	0.087	9%	0.088	C	C	.	.	S	Bend	trans	-145.2	138.6	170	-171.2	176.8	173.4	-139.9	-5.1	111	E275 E304 Y306 Y479	R271-E275 IonicContact NE-OE1 3.4Å; R271-E304 IonicContact CZ-OE2 3.74Å; R271-E304 VanDerWaalsContact CZ-OE2 3.24Å; R271-E304 IonicContact NH1-OE2 3.87Å; R271-E304 PolarHBondContact NH1-OE2 2.93Å; R271-E304 IonicContact NH2-OE2 2.71Å; R271-E304 PolarHBondContact NH2-OE2 3.33Å; R271-Y306 HydrophobicContact CB-CD1 4.05Å; R271-Y306 HydrophobicContact CG-CD1 3.81Å; R271-Y306 HydrophobicContact CG-CE1 4.28Å; R271-Y306 PolarHBondContact N-O 3.46Å; R271-Y479 WeakPolarHBondContact CA-OH 3.29Å; R271-Y479 WeakPolarHBondContact CG-OH 3.5Å
272	I	92.8	Very high	94.2	Very high	24 Å²	24	17.5 Å²	17.5	12%	0.123	9%	0.086	C	C	.	.			trans	-97.3	155	174.8	61	166.5	0	0	0	111.7	Y269 E274 E275 Y278	Y269-I272 HydrophobicContact CD1-CG2 4.32Å; Y269-I272 HydrophobicContact CD2-CG2 3.88Å; Y269-I272 HydrophobicContact CG-CG2 3.71Å; I272-E274 HydrophobicContact CD1-CB 4.36Å; I272-E274 PolarHBondContact O-N 3.47Å; I272-E275 HydrophobicContact CG1-CB 4.09Å; I272-Y278 HydrophobicContact CD1-CD2 3.59Å; I272-Y278 HydrophobicContact CD1-CE2 3.64Å
273	L	89.7	Confident	94	Very high	53 Å²	53	18.3 Å²	18.3	28%	0.277	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-29	177.6	-61.6	-175.7	0	0	0	112.1	L118 M151 I301 Y306	L118-L273 HydrophobicContact CD1-CD1 4.41Å; L118-L273 HydrophobicContact CD1-CD2 4.27Å; L118-L273 HydrophobicContact CD2-CD2 4.48Å; M151-L273 HydrophobicContact CG-CD1 4.36Å; M151-L273 HydrophobicContact SD-CD1 3.47Å; M151-L273 WeakPolarHBondContact SD-CD1 3.33Å; M151-L273 HydrophobicContact SD-CG 4.05Å; L273-I301 HydrophobicContact CD1-CG2 4.47Å; L273-I301 HydrophobicContact CD2-CG2 3.63Å; L273-Y306 HydrophobicContact CD2-CD1 3.78Å; L273-Y306 HydrophobicContact CD2-CD2 3.98Å; L273-Y306 HydrophobicContact CD2-CE1 3.4Å; L273-Y306 HydrophobicContact CD2-CE2 3.59Å; L273-Y306 HydrophobicContact CD2-CG 4.06Å; L273-Y306 HydrophobicContact CG-CE1 4.49Å
274	E	90.2	Very high	93.5	Very high	10 Å²	10	20.4 Å²	20.4	5%	0.047	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	6.4	-170.1	-53.3	88.7	158.2	0	0	113.7	S149 Y150 I272 A276 L277 Y278	S149-E274 PolarHBondContact OG-OE1 3.1Å; S149-E274 PolarHBondContact OG-OE2 3.02Å; Y150-E274 WeakPolarHBondContact CB-OE1 3.27Å; Y150-E274 HydrophobicContact CD2-CG 3.68Å; Y150-E274 WeakPolarHBondContact CD2-OE1 3.49Å; Y150-E274 HydrophobicContact CE2-CG 4.03Å; Y150-E274 PolarHBondContact N-OE1 2.9Å; I272-E274 HydrophobicContact CD1-CB 4.36Å; I272-E274 PolarHBondContact O-N 3.47Å; E274-A276 PolarHBondContact O-N 2.99Å; E274-L277 HydrophobicContact CB-CB 4.5Å; E274-L277 CarbonylContact O-C 3.49Å; E274-L277 WeakPolarHBondContact O-CA 3.2Å; E274-L277 WeakPolarHBondContact O-CB 3.37Å; E274-L277 PolarHBondContact O-N 3.17Å; E274-Y278 HydrophobicContact CB-CD1 3.97Å; E274-Y278 HydrophobicContact CB-CD2 3.91Å; E274-Y278 HydrophobicContact CB-CE1 3.62Å; E274-Y278 HydrophobicContact CB-CE2 3.54Å; E274-Y278 HydrophobicContact CB-CG 4.1Å; E274-Y278 HydrophobicContact CG-CE1 4.11Å; E274-Y278 HydrophobicContact CG-CE2 4.29Å; E274-Y278 PolarHBondContact O-N 3.11Å
275	E	88.9	Confident	92.9	Very high	13 Å²	13	24.1 Å²	24.1	6%	0.061	14%	0.135	C	C	.	.	H	α-helix	trans	-44.6	-60.9	-174.3	176.3	-175.4	83.6	0	0	112.7	R271 I272 L277 Y278 A279 Y479	R271-E275 IonicContact NE-OE1 3.4Å; I272-E275 HydrophobicContact CG1-CB 4.09Å; E275-L277 VanDerWaalsContact C-N 3.3Å; E275-L277 PolarHBondContact O-N 2.92Å; E275-Y278 PolarHBondContact O-N 3.21Å; E275-A279 PolarHBondContact O-N 3.43Å; E275-A279 VanDerWaalsContact O-N 3.16Å; E275-Y479 HydrophobicContact CG-CE2 4.45Å; E275-Y479 WeakPolarHBondContact OE2-CE2 3.5Å; E275-Y479 VanDerWaalsContact OE2-CZ 3.25Å; E275-Y479 PolarHBondContact OE2-OH 2.67Å
276	A	87.3	Confident	91.7	Very high	32 Å²	32	29.3 Å²	29.3	26%	0.264	17%	0.169	S	C	.	.	H	α-helix	trans	-72.5	-23.3	-179	0	0	0	0	0	113.2	E274 R280	E274-A276 PolarHBondContact O-N 2.99Å; A276-R280 VanDerWaalsContact O-CG 3.3Å; A276-R280 WeakPolarHBondContact O-CG 3.18Å; A276-R280 PolarHBondContact O-N 3.42Å; A276-R280 PolarHBondContact O-NH1 3.49Å
277	L	89.6	Confident	90.2	Very high	53 Å²	53	32.8 Å²	32.8	28%	0.277	18%	0.184	S	C	.	.	H	α-helix	trans	-71.2	-47.7	175.3	173.8	64.5	0	0	0	110.1	E274 E275 A279 R280 E281 P288	E274-L277 HydrophobicContact CB-CB 4.5Å; E274-L277 CarbonylContact O-C 3.49Å; E274-L277 WeakPolarHBondContact O-CA 3.2Å; E274-L277 WeakPolarHBondContact O-CB 3.37Å; E274-L277 PolarHBondContact O-N 3.17Å; E275-L277 VanDerWaalsContact C-N 3.3Å; E275-L277 PolarHBondContact O-N 2.92Å; L277-A279 PolarHBondContact O-N 3.48Å; L277-R280 PolarHBondContact O-N 3.34Å; L277-E281 HydrophobicContact CD1-CG 4.36Å; L277-E281 HydrophobicContact CG-CG 4.5Å; L277-E281 WeakPolarHBondContact O-CG 3.48Å; L277-E281 PolarHBondContact O-N 3.29Å; L277-P288 HydrophobicContact CD1-CG 3.95Å
278	Y	93.1	Very high	88.5	Confident	5 Å²	5	36.1 Å²	36.1	2%	0.02	21%	0.206	C	C	.	.	H	α-helix	trans	-64.4	-41.1	179.6	-68.6	-14.9	0	0	0	111.8	R148 R231 R233 I272 E274 E275 R280 E281 L282	R148-Y278 WeakPolarHBondContact O-CE2 3.2Å; R148-Y278 PolarHBondContact O-OH 2.99Å; R231-Y278 PolarHBondContact NH1-OH 3.4Å; R233-Y278 HydrophobicContact CB-CG 4.37Å; R233-Y278 HydrophobicContact CG-CD1 3.83Å; R233-Y278 HydrophobicContact CG-CG 3.89Å; I272-Y278 HydrophobicContact CD1-CD2 3.59Å; I272-Y278 HydrophobicContact CD1-CE2 3.64Å; E274-Y278 HydrophobicContact CB-CD1 3.97Å; E274-Y278 HydrophobicContact CB-CD2 3.91Å; E274-Y278 HydrophobicContact CB-CE1 3.62Å; E274-Y278 HydrophobicContact CB-CE2 3.54Å; E274-Y278 HydrophobicContact CB-CG 4.1Å; E274-Y278 HydrophobicContact CG-CE1 4.11Å; E274-Y278 HydrophobicContact CG-CE2 4.29Å; E274-Y278 PolarHBondContact O-N 3.11Å; E275-Y278 PolarHBondContact O-N 3.21Å; Y278-R280 VanDerWaalsContact C-N 3.32Å; Y278-R280 PolarHBondContact O-N 3.01Å; Y278-E281 PolarHBondContact O-N 3.4Å; Y278-L282 VanDerWaalsContact O-CG 3.28Å; Y278-L282 WeakPolarHBondContact O-CG 3.2Å; Y278-L282 PolarHBondContact O-N 2.83Å
279	A	93.4	Very high	86.6	Confident	3 Å²	3	45.2 Å²	45.2	3%	0.025	25%	0.245	C	C	.	.	H	α-helix	trans	-59.2	-41.4	173.3	0	0	0	0	0	112.6	E275 L277 L282 L283 V471 L474 S475	E275-A279 PolarHBondContact O-N 3.43Å; E275-A279 VanDerWaalsContact O-N 3.16Å; L277-A279 PolarHBondContact O-N 3.48Å; A279-L282 PolarHBondContact O-N 2.87Å; A279-L283 WeakPolarHBondContact O-CG 3.39Å; A279-L283 PolarHBondContact O-N 3.21Å; A279-V471 HydrophobicContact CB-CB 4.5Å; A279-V471 HydrophobicContact CB-CG1 3.9Å; A279-V471 WeakPolarHBondContact CB-O 3.38Å; A279-L474 HydrophobicContact CB-CB 4.16Å; A279-S475 WeakPolarHBondContact CB-OG 3.49Å
280	R	92.6	Very high	84.7	Confident	90 Å²	90	47.8 Å²	47.8	34%	0.34	26%	0.257	S	S	.	.	H	α-helix	trans	-68.5	-41	174.9	-72.5	-178	-177.1	102.3	1.5	112.9	A276 L277 Y278 L282 L283 G284 V285 E448 V471	A276-R280 VanDerWaalsContact O-CG 3.3Å; A276-R280 WeakPolarHBondContact O-CG 3.18Å; A276-R280 PolarHBondContact O-N 3.42Å; A276-R280 PolarHBondContact O-NH1 3.49Å; L277-R280 PolarHBondContact O-N 3.34Å; Y278-R280 VanDerWaalsContact C-N 3.32Å; Y278-R280 PolarHBondContact O-N 3.01Å; R280-L282 VanDerWaalsContact C-N 3.27Å; R280-L282 PolarHBondContact O-N 2.72Å; R280-L283 PolarHBondContact O-N 3.47Å; R280-L283 VanDerWaalsContact O-N 3.1Å; R280-G284 PolarHBondContact O-N 2.86Å; R280-V285 HydrophobicContact CB-CB 4.09Å; R280-V285 HydrophobicContact CB-CG2 4.12Å; R280-V285 VanDerWaalsContact O-CB 3.32Å; R280-V285 WeakPolarHBondContact O-CB 3.48Å; R280-V285 WeakPolarHBondContact O-CG2 3.17Å; R280-V285 PolarHBondContact O-N 3.1Å; R280-V285 VanDerWaalsContact O-N 3.09Å; R280-E448 IonicContact CZ-OE1 3.76Å; R280-E448 IonicContact CZ-OE2 2.72Å; R280-E448 IonicContact NH1-OE1 2.62Å; R280-E448 IonicContact NH2-OE1 2.81Å; R280-E448 PolarHBondContact NH2-OE1 2.9Å; R280-E448 IonicContact NH2-OE2 3.23Å; R280-E448 PolarHBondContact NH2-OE2 2.86Å; R280-V471 HydrophobicContact CG-CG2 3.99Å
281	E	92.9	Very high	82.8	Confident	26 Å²	26	50.2 Å²	50.2	12%	0.121	28%	0.276	C	S	.	.	H	α-helix	trans	-58.1	-40.9	173.6	-75.9	-177.7	-163	0	0	111	R233 L277 Y278 L283 G284	R233-E281 IonicContact CZ-OE2 2.83Å; R233-E281 IonicContact NE-OE2 2.71Å; R233-E281 PolarHBondContact NE-OE2 3Å; R233-E281 IonicContact NH2-OE2 3.97Å; R233-E281 PolarHBondContact NH2-OE2 3.31Å; R233-E281 VanDerWaalsContact NH2-OE2 3.08Å; L277-E281 HydrophobicContact CD1-CG 4.36Å; L277-E281 HydrophobicContact CG-CG 4.5Å; L277-E281 WeakPolarHBondContact O-CG 3.48Å; L277-E281 PolarHBondContact O-N 3.29Å; Y278-E281 PolarHBondContact O-N 3.4Å; E281-L283 VanDerWaalsContact C-N 3.26Å; E281-L283 PolarHBondContact O-N 3.14Å; E281-G284 PolarHBondContact O-N 3.25Å
282	L	95.1	Very high	80.6	Confident	7 Å²	7	55 Å²	55	4%	0.037	31%	0.307	C	S	.	.	H	α-helix	trans	-62.5	-33.2	176.5	-71.6	173	0	0	0	112.4	R233 T234 Y278 A279 R280 G284 L474 R603 S623 D624	R233-L282 HydrophobicContact CB-CD1 4.35Å; R233-L282 HydrophobicContact CB-CD2 3.85Å; R233-L282 HydrophobicContact CB-CG 4Å; T234-L282 HydrophobicContact CG2-CD1 3.91Å; T234-L282 HydrophobicContact CG2-CD2 3.9Å; Y278-L282 VanDerWaalsContact O-CG 3.28Å; Y278-L282 WeakPolarHBondContact O-CG 3.2Å; Y278-L282 PolarHBondContact O-N 2.83Å; A279-L282 PolarHBondContact O-N 2.87Å; R280-L282 VanDerWaalsContact C-N 3.27Å; R280-L282 PolarHBondContact O-N 2.72Å; L282-G284 PolarHBondContact O-N 3.32Å; L282-L474 HydrophobicContact CB-CD1 4.1Å; L282-R603 PolarHBondContact O-NH2 2.97Å; L282-S623 WeakPolarHBondContact O-CB 3.43Å; L282-S623 PolarHBondContact O-N 2.95Å; L282-S623 PolarHBondContact O-OG 3.47Å; L282-D624 HydrophobicContact CD2-CB 3.7Å
283	L	94	Very high	78.4	Confident	17 Å²	17	57.6 Å²	57.6	9%	0.089	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	0.5	174.2	-64.7	173.4	0	0	0	113.7	A279 R280 E281 L467 A470 V471 L474 R603 L621	A279-L283 WeakPolarHBondContact O-CG 3.39Å; A279-L283 PolarHBondContact O-N 3.21Å; R280-L283 PolarHBondContact O-N 3.47Å; R280-L283 VanDerWaalsContact O-N 3.1Å; E281-L283 VanDerWaalsContact C-N 3.26Å; E281-L283 PolarHBondContact O-N 3.14Å; L283-L467 HydrophobicContact CD1-CD2 4.48Å; L283-L467 HydrophobicContact CD2-CD2 4.19Å; L283-A470 HydrophobicContact CD1-CB 4.04Å; L283-A470 HydrophobicContact CD2-CB 3.9Å; L283-V471 HydrophobicContact CD1-CG2 3.68Å; L283-L474 HydrophobicContact CD1-CD1 4.42Å; L283-L474 HydrophobicContact CD2-CD1 3.61Å; L283-L474 HydrophobicContact CG-CD1 3.76Å; L283-R603 VanDerWaalsContact O-CZ 3.22Å; L283-R603 PolarHBondContact O-NE 2.91Å; L283-L621 HydrophobicContact CD2-CB 3.74Å; L283-L621 HydrophobicContact CD2-CD1 4.4Å
284	G	87.9	Confident	76.6	Confident	46 Å²	46	57 Å²	57	47%	0.474	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.9	7.2	178	0	0	0	0	0	114.2	R280 E281 L282	R280-G284 PolarHBondContact O-N 2.86Å; E281-G284 PolarHBondContact O-N 3.25Å; L282-G284 PolarHBondContact O-N 3.32Å
285	V	84.6	Confident	74.6	Confident	77 Å²	77	63.1 Å²	63.1	47%	0.467	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-66	122.7	170	-177	0	0	0	0	107.7	R280	R280-V285 HydrophobicContact CB-CB 4.09Å; R280-V285 HydrophobicContact CB-CG2 4.12Å; R280-V285 VanDerWaalsContact O-CB 3.32Å; R280-V285 WeakPolarHBondContact O-CB 3.48Å; R280-V285 WeakPolarHBondContact O-CG2 3.17Å; R280-V285 PolarHBondContact O-N 3.1Å; R280-V285 VanDerWaalsContact O-N 3.09Å
286	P	74.3	Confident	72.4	Confident	109 Å²	109	71.5 Å²	71.5	71%	0.708	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-61.9	142.7	-175.3	23.6	-32.6	0	0	0	111.1
287	K	65.6	Low	71	Confident	75 Å²	75	77.6 Å²	77.6	33%	0.326	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-54.4	127	175.1	-177.8	-173.3	170.6	-174.6	0	108.9	Y150 K289 E290	Y150-K287 WeakPolarHBondContact OH-CE 3.29Å; Y150-K287 PolarHBondContact OH-NZ 3.31Å; K287-K289 PolarHBondContact O-N 3.29Å; K287-E290 WeakPolarHBondContact CE-OE1 3.4Å; K287-E290 IonicContact NZ-OE1 3.41Å; K287-E290 PolarHBondContact NZ-OE1 3Å
288	P	63.2	Low	69.7	Low	73 Å²	73	76.3 Å²	76.3	47%	0.474	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-61.4	137.2	172.7	25.7	-31.7	0	0	0	109.1	L277 E290	L277-P288 HydrophobicContact CD1-CG 3.95Å; P288-E290 PolarHBondContact O-N 2.8Å
289	K	57.1	Low	68.5	Low	195 Å²	195	86.3 Å²	86.3	85%	0.848	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-57.5	129.5	169.8	-68.6	-174.2	-179.5	-179.2	0	107.7	K287 S291	K287-K289 PolarHBondContact O-N 3.29Å; K289-S291 PolarHBondContact O-N 3.39Å
290	E	57.8	Low	67.5	Low	62 Å²	62	92.5 Å²	92.5	29%	0.29	49%	0.485	S	S	.	.			trans	-62.3	112.6	178.2	-67	178.3	-164.2	0	0	107.9	Y150 M179 K287 P288	Y150-E290 VanDerWaalsContact CE1-OE1 3.24Å; Y150-E290 WeakPolarHBondContact CE1-OE1 3.36Å; Y150-E290 PolarHBondContact OH-OE1 3.18Å; M179-E290 HydrophobicContact CG-CB 4.43Å; M179-E290 HydrophobicContact SD-CB 3.82Å; K287-E290 WeakPolarHBondContact CE-OE1 3.4Å; K287-E290 IonicContact NZ-OE1 3.41Å; K287-E290 PolarHBondContact NZ-OE1 3Å; P288-E290 PolarHBondContact O-N 2.8Å
291	S	55.5	Low	66.6	Low	62 Å²	62	90.8 Å²	90.8	43%	0.434	48%	0.482	S	S	.	.			trans	-125.8	148.7	-176.3	67.8	0	0	0	0	110.5	K289 S293 G294	K289-S291 PolarHBondContact O-N 3.39Å; S291-S293 PolarHBondContact O-N 3.08Å; S291-S293 PolarHBondContact OG-OG 3.38Å; S291-G294 PolarHBondContact O-N 3.11Å
292	T	47.5	Very low	65.8	Low	122 Å²	122	92.8 Å²	92.8	75%	0.748	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-62.2	-18.4	172.4	46.7	0	0	0	0	112.7	G294 L295	T292-G294 PolarHBondContact O-N 3.1Å; T292-L295 VanDerWaalsContact O-CB 3.3Å; T292-L295 WeakPolarHBondContact O-CB 3.49Å; T292-L295 PolarHBondContact O-N 3.13Å
293	S	46.9	Very low	65	Low	80 Å²	80	97 Å²	97	56%	0.559	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-68.7	-15.1	175	59.4	0	0	0	0	114.3	S291 L295 F296	S291-S293 PolarHBondContact O-N 3.08Å; S291-S293 PolarHBondContact OG-OG 3.38Å; S293-L295 PolarHBondContact O-N 3.33Å; S293-F296 PolarHBondContact O-N 2.9Å
294	G	52.2	Low	64.5	Low	39 Å²	39	98.4 Å²	98.4	40%	0.402	53%	0.529	S	S	.	.	G	3₁₀ helix	trans	-61.7	-17.3	170.1	0	0	0	0	0	114	S291 T292 F296 K297 A298	S291-G294 PolarHBondContact O-N 3.11Å; T292-G294 PolarHBondContact O-N 3.1Å; G294-F296 VanDerWaalsContact C-N 3.26Å; G294-F296 PolarHBondContact O-N 3.22Å; G294-K297 PolarHBondContact O-N 2.93Å; G294-K297 VanDerWaalsContact O-N 3.09Å; G294-A298 PolarHBondContact O-N 3.45Å
295	L	47.8	Very low	64.6	Low	139 Å²	139	100.3 Å²	100.3	73%	0.728	53%	0.528	S	S	*	.	H	α-helix	trans	-62.6	-27.9	-179.8	-152.2	76.1	0	0	0	113.1	T292 S293 A298	T292-L295 VanDerWaalsContact O-CB 3.3Å; T292-L295 WeakPolarHBondContact O-CB 3.49Å; T292-L295 PolarHBondContact O-N 3.13Å; S293-L295 PolarHBondContact O-N 3.33Å; L295-A298 WeakPolarHBondContact O-CB 3.24Å; L295-A298 PolarHBondContact O-N 3.44Å; L295-A298 VanDerWaalsContact O-N 3.15Å
296	F	42.7	Very low	65.1	Low	189 Å²	189	97 Å²	97	83%	0.829	51%	0.507	S	S	*	.	H	α-helix	trans	-70.8	-30.6	175.1	-72.5	-78.5	0	0	0	112.9	S293 G294 A298	S293-F296 PolarHBondContact O-N 2.9Å; G294-F296 VanDerWaalsContact C-N 3.26Å; G294-F296 PolarHBondContact O-N 3.22Å; F296-A298 VanDerWaalsContact C-N 3.27Å
297	K	56.8	Low	66.1	Low	160 Å²	160	91.8 Å²	91.8	70%	0.696	47%	0.474	S	S	*	.	H	α-helix	trans	-75.1	-18.5	170.8	-67.5	-177.1	-179.2	179	0	112.1	G294 R299 K300 I301	G294-K297 PolarHBondContact O-N 2.93Å; G294-K297 VanDerWaalsContact O-N 3.09Å; K297-R299 PolarHBondContact O-N 2.96Å; K297-K300 PolarHBondContact O-N 3.16Å; K297-I301 PolarHBondContact O-N 3.1Å
298	A	62.9	Low	67.6	Low	27 Å²	27	88.4 Å²	88.4	22%	0.223	46%	0.459	C	S	.	.	H	α-helix	trans	-61.5	-30.3	179.5	0	0	0	0	0	112.4	G294 L295 F296 I301 L302	G294-A298 PolarHBondContact O-N 3.45Å; L295-A298 WeakPolarHBondContact O-CB 3.24Å; L295-A298 PolarHBondContact O-N 3.44Å; L295-A298 VanDerWaalsContact O-N 3.15Å; F296-A298 VanDerWaalsContact C-N 3.27Å; A298-I301 PolarHBondContact O-N 3.03Å; A298-L302 VanDerWaalsContact O-CB 3.27Å; A298-L302 WeakPolarHBondContact O-CB 3.31Å; A298-L302 WeakPolarHBondContact O-CD1 3.34Å; A298-L302 WeakPolarHBondContact O-CG 3.31Å; A298-L302 PolarHBondContact O-N 3.34Å
299	R	66.9	Low	69.2	Low	215 Å²	215	84.9 Å²	84.9	81%	0.811	44%	0.437	S	S	*	.	H	α-helix	trans	-64.9	-39.9	176.4	-172.9	177.3	175.2	177.8	-1.4	112.7	K297 S303	K297-R299 PolarHBondContact O-N 2.96Å; R299-S303 PolarHBondContact O-N 3.19Å
300	K	72.5	Confident	71.2	Confident	132 Å²	132	75.7 Å²	75.7	57%	0.574	40%	0.397	S	S	*	.	H	α-helix	trans	-66.3	-45.8	175.1	-176.5	178.8	176.5	-179.5	0	110.3	K297 L302 S303 E304	K297-K300 PolarHBondContact O-N 3.16Å; K300-L302 PolarHBondContact O-N 3.2Å; K300-S303 PolarHBondContact O-N 3.41Å; K300-S303 PolarHBondContact O-OG 3.43Å; K300-E304 PolarHBondContact O-N 2.87Å
301	I	74.1	Confident	73.1	Confident	55 Å²	55	72.8 Å²	72.8	28%	0.282	38%	0.383	S	S	.	.	H	α-helix	trans	-57.6	-50	175.9	-68.4	168.7	0	0	0	110.7	L118 L273 K297 A298 S303 E304 Y306	L118-I301 HydrophobicContact CD2-CG2 3.96Å; L118-I301 WeakPolarHBondContact CD2-O 3.43Å; L273-I301 HydrophobicContact CD1-CG2 4.47Å; L273-I301 HydrophobicContact CD2-CG2 3.63Å; K297-I301 PolarHBondContact O-N 3.1Å; A298-I301 PolarHBondContact O-N 3.03Å; I301-S303 PolarHBondContact O-N 3.37Å; I301-S303 VanDerWaalsContact O-N 3.08Å; I301-E304 PolarHBondContact O-N 2.82Å; I301-Y306 HydrophobicContact CG2-CE2 4.14Å; I301-Y306 WeakPolarHBondContact O-CE2 3.31Å
302	L	77.6	Confident	75.2	Confident	68 Å²	68	70.7 Å²	70.7	36%	0.356	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-11.1	177.9	-69.5	168.1	0	0	0	114	I114 T117 L118 A298 K300	I114-L302 HydrophobicContact CG2-CD2 4.48Å; T117-L302 HydrophobicContact CG2-CB 4.22Å; T117-L302 HydrophobicContact CG2-CD2 4.18Å; T117-L302 WeakPolarHBondContact CG2-O 3.21Å; L118-L302 HydrophobicContact CD1-CD2 4.48Å; L118-L302 HydrophobicContact CD2-CD2 3.95Å; L118-L302 HydrophobicContact CG-CD2 4.03Å; A298-L302 VanDerWaalsContact O-CB 3.27Å; A298-L302 WeakPolarHBondContact O-CB 3.31Å; A298-L302 WeakPolarHBondContact O-CD1 3.34Å; A298-L302 WeakPolarHBondContact O-CG 3.31Å; A298-L302 PolarHBondContact O-N 3.34Å; K300-L302 PolarHBondContact O-N 3.2Å
303	S	76.8	Confident	77.6	Confident	94 Å²	94	64.9 Å²	64.9	66%	0.657	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-5.5	174.7	71.1	0	0	0	0	113.8	R299 K300 I301	R299-S303 PolarHBondContact O-N 3.19Å; K300-S303 PolarHBondContact O-N 3.41Å; K300-S303 PolarHBondContact O-OG 3.43Å; I301-S303 PolarHBondContact O-N 3.37Å; I301-S303 VanDerWaalsContact O-N 3.08Å
304	E	84.6	Confident	79.9	Confident	47 Å²	47	61.1 Å²	61.1	22%	0.22	30%	0.304	C	S	.	.	S	Bend	trans	-97.3	153	179	-69.3	-172.5	-154.9	0	0	111.9	R271 K300 I301 Y306	R271-E304 IonicContact CZ-OE2 3.74Å; R271-E304 VanDerWaalsContact CZ-OE2 3.24Å; R271-E304 IonicContact NH1-OE2 3.87Å; R271-E304 PolarHBondContact NH1-OE2 2.93Å; R271-E304 IonicContact NH2-OE2 2.71Å; R271-E304 PolarHBondContact NH2-OE2 3.33Å; K300-E304 PolarHBondContact O-N 2.87Å; I301-E304 PolarHBondContact O-N 2.82Å; E304-Y306 HydrophobicContact CB-CD2 4.42Å; E304-Y306 HydrophobicContact CB-CE2 3.73Å
305	N	89.4	Confident	82	Confident	86 Å²	86	64.3 Å²	64.3	46%	0.46	31%	0.308	S	S	.	.			trans	-93.7	125.9	172.5	-177.9	0.7	0	0	0	109.2	G307 L431	N305-G307 PolarHBondContact OD1-N 3.2Å; N305-L431 HydrophobicContact CB-CD1 4.19Å; N305-L431 VanDerWaalsContact O-CD1 3.3Å; N305-L431 WeakPolarHBondContact O-CD1 3.09Å
306	Y	94.4	Very high	84.3	Confident	7 Å²	7	58.7 Å²	58.7	3%	0.027	28%	0.281	C	S	.	.			trans	-105.3	8	178.3	-70	-91.5	0	0	0	113.4	L118 F119 R271 L273 I301 E304	L118-Y306 HydrophobicContact CB-CD2 4.2Å; L118-Y306 HydrophobicContact CD2-CD2 3.8Å; L118-Y306 HydrophobicContact CD2-CE2 3.73Å; L118-Y306 PolarHBondContact O-N 2.66Å; F119-Y306 HydrophobicContact CE1-CG 4.36Å; R271-Y306 HydrophobicContact CB-CD1 4.05Å; R271-Y306 HydrophobicContact CG-CD1 3.81Å; R271-Y306 HydrophobicContact CG-CE1 4.28Å; R271-Y306 PolarHBondContact N-O 3.46Å; L273-Y306 HydrophobicContact CD2-CD1 3.78Å; L273-Y306 HydrophobicContact CD2-CD2 3.98Å; L273-Y306 HydrophobicContact CD2-CE1 3.4Å; L273-Y306 HydrophobicContact CD2-CE2 3.59Å; L273-Y306 HydrophobicContact CD2-CG 4.06Å; L273-Y306 HydrophobicContact CG-CE1 4.49Å; I301-Y306 HydrophobicContact CG2-CE2 4.14Å; I301-Y306 WeakPolarHBondContact O-CE2 3.31Å; E304-Y306 HydrophobicContact CB-CD2 4.42Å; E304-Y306 HydrophobicContact CB-CE2 3.73Å
307	G	95.6	Very high	87	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.252	C	S	.	.			trans	76.7	-135	175	0	0	0	0	0	112.1	F119 R120 E270 N305	F119-G307 CarbonylContact C-O 3.59Å; F119-G307 WeakPolarHBondContact CA-O 3.24Å; R120-G307 PolarHBondContact N-O 3.22Å; E270-G307 WeakPolarHBondContact OE2-CA 3.45Å; N305-G307 PolarHBondContact OD1-N 3.2Å
308	S	96.6	Very high	88.9	Confident	4 Å²	4	45.4 Å²	45.4	3%	0.028	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	149	-176.4	56.9	0	0	0	0	112.4	S121 E270 K369	S121-S308 WeakPolarHBondContact O-CA 3.32Å; S121-S308 WeakPolarHBondContact OG-CB 3.22Å; E270-S308 WeakPolarHBondContact CB-O 3.46Å; E270-S308 PolarHBondContact N-O 3Å; E270-S308 PolarHBondContact OE2-N 2.94Å; E270-S308 PolarHBondContact OE2-OG 3.38Å; S308-K369 PolarHBondContact OG-NZ 3.25Å; S308-K369 VanDerWaalsContact OG-NZ 3.07Å
309	I	98.1	Very high	90.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	140.7	166.2	-52.5	170.6	0	0	0	108.1	F119 S121 I122 C123 L155 I267 S268 Y269 V311	F119-I309 HydrophobicContact CD1-CD1 3.85Å; F119-I309 HydrophobicContact CD1-CG1 3.73Å; F119-I309 HydrophobicContact CD2-CD1 3.81Å; F119-I309 HydrophobicContact CE1-CD1 3.66Å; F119-I309 HydrophobicContact CE1-CG1 3.75Å; F119-I309 HydrophobicContact CE2-CD1 3.65Å; F119-I309 HydrophobicContact CG-CD1 3.92Å; F119-I309 HydrophobicContact CG-CG1 4.15Å; F119-I309 HydrophobicContact CZ-CD1 3.59Å; F119-I309 HydrophobicContact CZ-CG1 4.21Å; S121-I309 PolarHBondContact O-N 3.45Å; I122-I309 HydrophobicContact CD1-CD1 4.34Å; I122-I309 HydrophobicContact CG1-CB 4.3Å; I122-I309 HydrophobicContact CG1-CD1 4.16Å; C123-I309 PolarHBondContact N-O 3.1Å; L155-I309 HydrophobicContact CD2-CD1 4.26Å; L155-I309 HydrophobicContact CD2-CG2 3.78Å; I267-I309 HydrophobicContact CG2-CG2 4.02Å; S268-I309 CarbonylContact O-C 3.51Å; S268-I309 WeakPolarHBondContact O-CA 3.19Å; Y269-I309 HydrophobicContact CD1-CD1 3.89Å; Y269-I309 HydrophobicContact CD1-CG1 3.67Å; Y269-I309 HydrophobicContact CD1-CG2 4.21Å; Y269-I309 HydrophobicContact CE1-CD1 3.61Å; Y269-I309 HydrophobicContact CE1-CG1 3.89Å; Y269-I309 HydrophobicContact CE1-CG2 4.15Å; I309-V311 HydrophobicContact CG2-CG2 4.04Å
310	H	98.1	Very high	91.9	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.009	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.4	168.6	-71.4	33.4	0	0	0	108.9	F20 C123 S268 V367 K369 H414	F20-H310 HydrophobicContact CE1-CB 4.36Å; C123-H310 VanDerWaalsContact CB-CE1 3.46Å; C123-H310 WeakPolarHBondContact CB-CE1 3.44Å; C123-H310 CarbonylContact O-C 3.46Å; C123-H310 WeakPolarHBondContact O-CA 3.44Å; C123-H310 PolarHBondContact SG-CE1 3.37Å; S268-H310 PolarHBondContact N-O 2.9Å; S268-H310 PolarHBondContact O-N 3.26Å; H310-V367 HydrophobicContact CB-CB 3.95Å; H310-V367 HydrophobicContact CB-CG1 4.3Å; H310-V367 HydrophobicContact CB-CG2 4.03Å; H310-K369 PolarHBondContact CE1-NZ 3.14Å; H310-K369 PolarHBondContact ND1-NZ 2.97Å; H310-K369 PolarHBondContact NE2-NZ 3.05Å; H310-K369 VanDerWaalsContact NE2-NZ 3.18Å; H310-H414 AromaticContact NE2-CD2 3.13Å; H310-H414 PolarHBondContact NE2-CD2 3.25Å; H310-H414 AromaticContact NE2-CG 3.73Å; H310-H414 AromaticContact NE2-NE2 3.56Å
311	V	98.6	Very high	93	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	116.2	177.7	-173.7	0	0	0	0	108.2	C123 V124 N125 L155 I159 V265 S266 I267 I309 F313	C123-V311 PolarHBondContact O-N 3.16Å; V124-V311 WeakPolarHBondContact CA-O 3.38Å; V124-V311 HydrophobicContact CG2-CB 4.45Å; N125-V311 PolarHBondContact N-O 2.63Å; N125-V311 PolarHBondContact OD1-O 3.48Å; L155-V311 HydrophobicContact CD2-CG2 3.7Å; L155-V311 HydrophobicContact CG-CG2 4.23Å; I159-V311 HydrophobicContact CD1-CB 3.82Å; I159-V311 HydrophobicContact CD1-CG1 3.86Å; I159-V311 HydrophobicContact CD1-CG2 3.59Å; V265-V311 HydrophobicContact CG1-CG1 3.75Å; S266-V311 WeakPolarHBondContact O-CA 3.26Å; I267-V311 HydrophobicContact CG1-CG1 4.42Å; I267-V311 HydrophobicContact CG2-CG2 4.33Å; I309-V311 HydrophobicContact CG2-CG2 4.04Å; V311-F313 HydrophobicContact CG1-CD2 4.21Å; V311-F313 HydrophobicContact CG1-CE2 3.69Å; V311-F313 HydrophobicContact CG1-CZ 4.22Å
312	Y	98.3	Very high	94	Very high	18 Å²	18	33.9 Å²	33.9	7%	0.071	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	108.9	178.8	-167.5	-81.9	0	0	0	110	D18 F20 N125 V265 S266 G314 N365 F412	D18-Y312 HydrophobicContact CB-CE2 3.93Å; D18-Y312 VanDerWaalsContact CG-OH 3.24Å; D18-Y312 PolarHBondContact OD1-OH 2.93Å; D18-Y312 PolarHBondContact OD2-OH 2.83Å; F20-Y312 HydrophobicContact CE1-CD2 4.34Å; F20-Y312 AromaticContact CZ-CD2 3.89Å; F20-Y312 HydrophobicContact CZ-CD2 3.89Å; N125-Y312 HydrophobicContact CB-CD2 3.83Å; N125-Y312 HydrophobicContact CB-CE2 4.05Å; N125-Y312 VanDerWaalsContact OD1-CA 3.27Å; N125-Y312 WeakPolarHBondContact OD1-CA 3.47Å; V265-Y312 WeakPolarHBondContact CA-O 3.34Å; S266-Y312 PolarHBondContact N-O 2.69Å; S266-Y312 PolarHBondContact O-N 2.87Å; Y312-G314 PolarHBondContact O-N 3.44Å; Y312-N365 HydrophobicContact CD1-CB 3.43Å; Y312-N365 VanDerWaalsContact CD1-CB 3.43Å; Y312-N365 VanDerWaalsContact CD1-CG 3.46Å; Y312-N365 HydrophobicContact CE1-CB 3.87Å; Y312-N365 WeakPolarHBondContact CE1-ND2 3.31Å; Y312-N365 HydrophobicContact CG-CB 4.05Å; Y312-F412 AromaticContact CD2-CE1 3.9Å; Y312-F412 HydrophobicContact CD2-CE1 3.9Å; Y312-F412 HydrophobicContact CE2-CE1 4.01Å
313	F	98.3	Very high	94.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	110.2	167.4	-68.7	-92.9	0	0	0	108.8	V124 N125 I129 L132 I159 L160 V265 V311	V124-F313 HydrophobicContact CG1-CD2 4Å; V124-F313 HydrophobicContact CG1-CE2 3.85Å; N125-F313 PolarHBondContact ND2-O 2.9Å; N125-F313 PolarHBondContact OD1-N 3Å; I129-F313 HydrophobicContact CD1-CD2 3.65Å; I129-F313 HydrophobicContact CD1-CE2 3.58Å; I129-F313 HydrophobicContact CD1-CG 4.25Å; I129-F313 HydrophobicContact CD1-CZ 4.12Å; I129-F313 HydrophobicContact CG1-CD2 4.4Å; L132-F313 HydrophobicContact CD2-CD1 3.79Å; L132-F313 HydrophobicContact CD2-CE1 3.8Å; I159-F313 HydrophobicContact CG2-CE2 3.83Å; I159-F313 HydrophobicContact CG2-CZ 3.97Å; L160-F313 HydrophobicContact CD1-CE1 3.85Å; L160-F313 HydrophobicContact CD1-CZ 3.77Å; V265-F313 HydrophobicContact CG1-CD1 4.27Å; V265-F313 HydrophobicContact CG1-CE1 4.22Å; V265-F313 HydrophobicContact CG1-CZ 4.44Å; V265-F313 HydrophobicContact CG2-CD1 3.64Å; V265-F313 HydrophobicContact CG2-CE1 3.89Å; V265-F313 HydrophobicContact CG2-CG 4.45Å; V311-F313 HydrophobicContact CG1-CD2 4.21Å; V311-F313 HydrophobicContact CG1-CE2 3.69Å; V311-F313 HydrophobicContact CG1-CZ 4.22Å
314	G	96.4	Very high	95.7	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.01	17%	0.173	C	C	.	.			trans	-73.2	174.2	-179.6	0	0	0	0	0	113.4	P264 Y312 P316	P264-G314 WeakPolarHBondContact O-CA 3.5Å; P264-G314 PolarHBondContact O-N 3.21Å; Y312-G314 PolarHBondContact O-N 3.44Å; G314-P316 WeakPolarHBondContact O-CD 3.25Å
315	Q	95.5	Very high	96	Very high	106 Å²	106	35.7 Å²	35.7	50%	0.495	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-59.6	125.3	175.3	-179.1	62.1	37.2	0	0	110.1	R131 V317	R131-Q315 VanDerWaalsContact NH1-CA 3.28Å; Q315-V317 WeakPolarHBondContact O-CG2 3.35Å; Q315-V317 PolarHBondContact O-N 3.49Å
316	P	97.1	Very high	96.1	Very high	22 Å²	22	36.5 Å²	36.5	14%	0.143	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-56.1	125.3	169.7	-25.5	34.6	0	0	0	110.8	R131 A135 V263 G314	R131-P316 HydrophobicContact CB-CG 4.33Å; A135-P316 HydrophobicContact CB-CB 4.1Å; A135-P316 HydrophobicContact CB-CG 3.95Å; V263-P316 HydrophobicContact CG2-CB 4Å; V263-P316 HydrophobicContact CG2-CG 4.07Å; G314-P316 WeakPolarHBondContact O-CD 3.25Å
317	V	97.6	Very high	96	Very high	39 Å²	39	37.2 Å²	37.2	24%	0.236	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	116.2	-179	-173.3	0	0	0	0	109	L262 Q315 A319 L322 L358	L262-V317 HydrophobicContact CB-CB 4.39Å; L262-V317 WeakPolarHBondContact CB-O 3.48Å; L262-V317 PolarHBondContact N-O 3.12Å; L262-V317 PolarHBondContact O-N 2.96Å; Q315-V317 WeakPolarHBondContact O-CG2 3.35Å; Q315-V317 PolarHBondContact O-N 3.49Å; V317-A319 PolarHBondContact O-N 3.4Å; V317-L322 HydrophobicContact CG1-CD1 3.62Å; V317-L322 HydrophobicContact CG1-CD2 3.88Å; V317-L322 HydrophobicContact CG1-CG 3.64Å; V317-L358 HydrophobicContact CB-CD2 4.19Å; V317-L358 HydrophobicContact CG2-CD2 3.99Å
318	S	97.7	Very high	95.8	Very high	30 Å²	30	41 Å²	41	21%	0.21	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	124.2	176.7	160	0	0	0	0	111.3	D259 R320 S321 L322	D259-S318 VanDerWaalsContact CG-OG 3.28Å; D259-S318 PolarHBondContact OD1-OG 3.27Å; D259-S318 VanDerWaalsContact OD2-CB 3.22Å; D259-S318 WeakPolarHBondContact OD2-CB 3.44Å; D259-S318 PolarHBondContact OD2-OG 3.27Å; S318-R320 PolarHBondContact O-N 3.42Å; S318-R320 WeakPolarHBondContact OG-CB 3.43Å; S318-R320 PolarHBondContact OG-N 3.38Å; S318-S321 PolarHBondContact O-N 3.22Å; S318-S321 PolarHBondContact OG-N 3.46Å; S318-L322 WeakPolarHBondContact O-CG 3.3Å; S318-L322 PolarHBondContact O-N 3.01Å
319	A	97.1	Very high	95.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.1	-35.8	171.8	0	0	0	0	0	111.3	M249 F252 D259 V260 V317 L322 A323	M249-A319 HydrophobicContact SD-CB 3.83Å; F252-A319 HydrophobicContact CD1-CB 3.95Å; F252-A319 HydrophobicContact CE1-CB 4.43Å; F252-A319 HydrophobicContact CG-CB 4.1Å; D259-A319 PolarHBondContact OD1-N 2.97Å; D259-A319 VanDerWaalsContact OD1-N 3.11Å; V260-A319 HydrophobicContact CB-CB 4.09Å; V260-A319 WeakPolarHBondContact O-CB 3.37Å; V260-A319 PolarHBondContact O-N 2.76Å; V317-A319 PolarHBondContact O-N 3.4Å; A319-L322 PolarHBondContact O-N 3.09Å; A319-A323 WeakPolarHBondContact O-CB 3.48Å; A319-A323 PolarHBondContact O-N 3.5Å
320	R	95.7	Very high	95.1	Very high	97 Å²	97	47.3 Å²	47.3	37%	0.366	26%	0.261	S	S	.	.	H	α-helix	trans	-60.4	-50.7	172.7	177.2	-175.5	-80.3	-143.8	-5.6	112.6	F252 F258 D259 S318 L322 A323 E324	F252-R320 HydrophobicContact CE2-CB 3.63Å; F252-R320 HydrophobicContact CE2-CG 4.23Å; F252-R320 HydrophobicContact CZ-CB 3.93Å; F252-R320 HydrophobicContact CZ-CG 4.44Å; F258-R320 VanDerWaalsContact CZ-NH2 3.25Å; F258-R320 PolarHBondContact O-NE 2.87Å; F258-R320 PolarHBondContact O-NH2 2.83Å; D259-R320 HydrophobicContact CB-CB 4.43Å; D259-R320 WeakPolarHBondContact OD1-CB 3.5Å; D259-R320 PolarHBondContact OD1-N 2.88Å; S318-R320 PolarHBondContact O-N 3.42Å; S318-R320 WeakPolarHBondContact OG-CB 3.43Å; S318-R320 PolarHBondContact OG-N 3.38Å; R320-L322 VanDerWaalsContact C-N 3.28Å; R320-L322 PolarHBondContact O-N 2.83Å; R320-A323 PolarHBondContact O-N 3.16Å; R320-E324 PolarHBondContact O-N 2.82Å; R320-E324 VanDerWaalsContact O-N 3.1Å
321	S	95.8	Very high	94.6	Very high	74 Å²	74	52 Å²	52	52%	0.517	28%	0.283	S	S	.	.	H	α-helix	trans	-63.2	-36.5	179.1	-179.7	0	0	0	0	111.8	S318 E324	S318-S321 PolarHBondContact O-N 3.22Å; S318-S321 PolarHBondContact OG-N 3.46Å; S321-E324 WeakPolarHBondContact O-CB 3.17Å; S321-E324 PolarHBondContact O-N 2.73Å
322	L	95.6	Very high	94.1	Very high	17 Å²	17	53.7 Å²	53.7	9%	0.089	29%	0.291	C	S	.	.	H	α-helix	trans	-63.2	-41.1	174.4	-73.4	174.3	0	0	0	112.5	M249 L262 V317 S318 A319 R320 E324 F350	M249-L322 HydrophobicContact CE-CD1 4.46Å; L262-L322 HydrophobicContact CD1-CD1 3.82Å; V317-L322 HydrophobicContact CG1-CD1 3.62Å; V317-L322 HydrophobicContact CG1-CD2 3.88Å; V317-L322 HydrophobicContact CG1-CG 3.64Å; S318-L322 WeakPolarHBondContact O-CG 3.3Å; S318-L322 PolarHBondContact O-N 3.01Å; A319-L322 PolarHBondContact O-N 3.09Å; R320-L322 VanDerWaalsContact C-N 3.28Å; R320-L322 PolarHBondContact O-N 2.83Å; L322-E324 VanDerWaalsContact C-N 3.32Å; L322-F350 HydrophobicContact CB-CE2 3.92Å; L322-F350 HydrophobicContact CB-CZ 3.99Å; L322-F350 WeakPolarHBondContact O-CE2 3.36Å
323	A	95.3	Very high	93.6	Very high	5 Å²	5	58 Å²	58	4%	0.041	32%	0.315	C	S	.	.	H	α-helix	trans	-76.9	-16.9	-177.2	0	0	0	0	0	113.8	F252 A319 R320 G325 R326 V327 F350	F252-A323 HydrophobicContact CE1-CB 3.64Å; F252-A323 HydrophobicContact CZ-CB 3.92Å; A319-A323 WeakPolarHBondContact O-CB 3.48Å; A319-A323 PolarHBondContact O-N 3.5Å; R320-A323 PolarHBondContact O-N 3.16Å; A323-G325 PolarHBondContact O-N 2.71Å; A323-R326 PolarHBondContact O-N 3.27Å; A323-V327 HydrophobicContact CB-CB 4.13Å; A323-V327 HydrophobicContact CB-CG2 4.25Å; A323-V327 PolarHBondContact O-N 3.43Å; A323-F350 HydrophobicContact CB-CE2 4.27Å; A323-F350 HydrophobicContact CB-CZ 3.9Å
324	E	93.8	Very high	93.1	Very high	152 Å²	152	64.8 Å²	64.8	71%	0.71	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	123.3	-176.9	-169.5	173.3	-168.3	0	0	111.9	R320 S321 L322 R326	R320-E324 PolarHBondContact O-N 2.82Å; R320-E324 VanDerWaalsContact O-N 3.1Å; S321-E324 WeakPolarHBondContact O-CB 3.17Å; S321-E324 PolarHBondContact O-N 2.73Å; L322-E324 VanDerWaalsContact C-N 3.32Å; E324-R326 PolarHBondContact O-N 3.18Å
325	G	91.1	Very high	92.7	Very high	89 Å²	89	68.1 Å²	68.1	92%	0.918	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	5.7	-178.1	0	0	0	0	0	115.5	A323	A323-G325 PolarHBondContact O-N 2.71Å
326	R	91.4	Very high	92.4	Very high	104 Å²	104	66.5 Å²	66.5	39%	0.392	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-29.9	-178.6	-60.5	-173.8	-167.3	176.6	11.5	114.2	A323 E324 F350 D353	A323-R326 PolarHBondContact O-N 3.27Å; E324-R326 PolarHBondContact O-N 3.18Å; R326-F350 HydrophobicContact CB-CD2 4.47Å; R326-D353 IonicContact CZ-OD2 3.08Å; R326-D353 IonicContact NH1-OD2 3.49Å; R326-D353 PolarHBondContact NH1-OD2 3.39Å
327	V	93.3	Very high	92	Very high	21 Å²	21	71.1 Å²	71.1	13%	0.127	38%	0.384	C	S	.	.			trans	-124	120.6	-177.4	179.2	0	0	0	0	109.7	L253 A323 R329 F332 I347 F350	L253-V327 HydrophobicContact CD2-CG1 3.85Å; A323-V327 HydrophobicContact CB-CB 4.13Å; A323-V327 HydrophobicContact CB-CG2 4.25Å; A323-V327 PolarHBondContact O-N 3.43Å; V327-R329 HydrophobicContact CG1-CG 4.31Å; V327-R329 PolarHBondContact O-N 3.31Å; V327-F332 HydrophobicContact CG1-CE2 4.22Å; V327-I347 HydrophobicContact CB-CD1 4.37Å; V327-I347 HydrophobicContact CG1-CD1 3.49Å; V327-I347 VanDerWaalsContact CG1-CD1 3.49Å; V327-I347 HydrophobicContact CG2-CD1 4.01Å; V327-F350 HydrophobicContact CG2-CB 4.06Å; V327-F350 HydrophobicContact CG2-CD1 3.69Å; V327-F350 HydrophobicContact CG2-CD2 3.92Å; V327-F350 HydrophobicContact CG2-CE1 4.13Å; V327-F350 HydrophobicContact CG2-CE2 4.34Å; V327-F350 HydrophobicContact CG2-CG 3.57Å; V327-F350 HydrophobicContact CG2-CZ 4.43Å
328	D	90.8	Very high	91.5	Very high	81 Å²	81	72.4 Å²	72.4	43%	0.433	39%	0.387	S	S	.	.			trans	-84.1	103.1	167.3	177.5	10.6	0	0	0	109.9	S330 Q331	D328-S330 PolarHBondContact O-N 3.18Å; D328-S330 VanDerWaalsContact OD1-CB 3.25Å; D328-S330 WeakPolarHBondContact OD1-CB 3.4Å; D328-S330 PolarHBondContact OD1-N 3.26Å; D328-S330 PolarHBondContact OD1-OG 3.45Å; D328-S330 PolarHBondContact OD2-OG 3.04Å; D328-Q331 HydrophobicContact CB-CG 4.31Å
329	R	90.8	Very high	91.1	Very high	71 Å²	71	73.2 Å²	73.2	27%	0.268	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-71.4	-16.3	-178.9	-69.2	172.6	61.4	-166.1	2.9	113.5	F252 G255 V327 Q331 F332	F252-R329 VanDerWaalsContact O-CZ 3.31Å; F252-R329 PolarHBondContact O-NE 3.18Å; F252-R329 PolarHBondContact O-NH2 2.7Å; G255-R329 VanDerWaalsContact CA-NH2 3.29Å; V327-R329 HydrophobicContact CG1-CG 4.31Å; V327-R329 PolarHBondContact O-N 3.31Å; R329-Q331 PolarHBondContact O-N 3.18Å; R329-F332 PolarHBondContact O-N 3.09Å; R329-F332 VanDerWaalsContact O-N 3.14Å
330	S	88.4	Confident	90.6	Very high	64 Å²	64	76 Å²	76	45%	0.448	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-63	-27.7	179.4	74.6	0	0	0	0	112.1	D328 F332 N333	D328-S330 PolarHBondContact O-N 3.18Å; D328-S330 VanDerWaalsContact OD1-CB 3.25Å; D328-S330 WeakPolarHBondContact OD1-CB 3.4Å; D328-S330 PolarHBondContact OD1-N 3.26Å; D328-S330 PolarHBondContact OD1-OG 3.45Å; D328-S330 PolarHBondContact OD2-OG 3.04Å; S330-F332 PolarHBondContact O-N 3.45Å; S330-N333 WeakPolarHBondContact O-CB 3.44Å; S330-N333 PolarHBondContact O-N 2.73Å
331	Q	88.1	Confident	90	Very high	102 Å²	102	74.7 Å²	74.7	48%	0.477	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-59.9	-29.8	176.7	-60.1	-177	2.9	0	0	112.7	D328 R329 N333 L334	D328-Q331 HydrophobicContact CB-CG 4.31Å; R329-Q331 PolarHBondContact O-N 3.18Å; Q331-N333 PolarHBondContact O-N 2.73Å; Q331-L334 WeakPolarHBondContact O-CB 3.23Å; Q331-L334 WeakPolarHBondContact O-CG 3.37Å; Q331-L334 PolarHBondContact O-N 3.18Å
332	F	88.3	Confident	89.4	Confident	35 Å²	35	79.8 Å²	79.8	15%	0.154	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-76.4	-9.5	177.5	-64.2	-90.8	0	0	0	113.3	L253 K254 V327 R329 S330 I347	L253-F332 HydrophobicContact CB-CD1 4.43Å; L253-F332 HydrophobicContact CB-CD2 4.46Å; L253-F332 HydrophobicContact CB-CE1 4.02Å; L253-F332 HydrophobicContact CB-CE2 4.06Å; L253-F332 HydrophobicContact CB-CZ 3.82Å; L253-F332 HydrophobicContact CD1-CE1 4.46Å; L253-F332 HydrophobicContact CD1-CZ 4.01Å; L253-F332 HydrophobicContact CD2-CE2 4.28Å; L253-F332 HydrophobicContact CD2-CZ 4.31Å; L253-F332 HydrophobicContact CG-CZ 4.28Å; K254-F332 HydrophobicContact CG-CB 4.45Å; K254-F332 HydrophobicContact CG-CD1 4.02Å; V327-F332 HydrophobicContact CG1-CE2 4.22Å; R329-F332 PolarHBondContact O-N 3.09Å; R329-F332 VanDerWaalsContact O-N 3.14Å; S330-F332 PolarHBondContact O-N 3.45Å; F332-I347 HydrophobicContact CE2-CD1 3.96Å; F332-I347 HydrophobicContact CZ-CD1 3.71Å; F332-I347 HydrophobicContact CZ-CG1 3.93Å
333	N	86.7	Confident	88.8	Confident	107 Å²	107	81.4 Å²	81.4	57%	0.572	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-90.6	-7	173.9	-62.2	-37.8	0	0	0	112.7	S330 Q331 T335	S330-N333 WeakPolarHBondContact O-CB 3.44Å; S330-N333 PolarHBondContact O-N 2.73Å; Q331-N333 PolarHBondContact O-N 2.73Å; N333-T335 VanDerWaalsContact C-N 3.27Å; N333-T335 PolarHBondContact O-N 2.74Å
334	L	88.4	Confident	88.6	Confident	144 Å²	144	84 Å²	84	75%	0.754	45%	0.454	S	S	*	.	S	Bend	trans	-74.3	-19.9	179.8	-58.7	177.4	0	0	0	112.9	Q331	Q331-L334 WeakPolarHBondContact O-CB 3.23Å; Q331-L334 WeakPolarHBondContact O-CG 3.37Å; Q331-L334 PolarHBondContact O-N 3.18Å
335	T	87.8	Confident	88.4	Confident	71 Å²	71	84 Å²	84	44%	0.436	45%	0.454	S	S	.	.	S	Bend	trans	-127.1	142.2	-180	-53.6	0	0	0	0	109.2	N333 R337 I339	N333-T335 VanDerWaalsContact C-N 3.27Å; N333-T335 PolarHBondContact O-N 2.74Å; T335-R337 PolarHBondContact O-N 3.23Å; T335-I339 HydrophobicContact CG2-CB 4.1Å; T335-I339 HydrophobicContact CG2-CD1 4.25Å; T335-I339 HydrophobicContact CG2-CG2 4.38Å
336	P	90.3	Very high	88.5	Confident	72 Å²	72	82 Å²	82	47%	0.468	43%	0.434	S	S	.	.			trans	-51.6	130.8	172.4	-27	33.8	0	0	0	112	H338 I339	P336-H338 VanDerWaalsContact CB-CE1 3.48Å; P336-H338 WeakPolarHBondContact CB-CE1 3.33Å; P336-H338 PolarHBondContact O-N 2.99Å; P336-H338 VanDerWaalsContact O-N 3.08Å; P336-I339 HydrophobicContact CB-CD1 4.1Å; P336-I339 HydrophobicContact CB-CG1 4.22Å; P336-I339 HydrophobicContact CG-CD1 4.03Å; P336-I339 PolarHBondContact O-N 3.34Å
337	R	87.9	Confident	88.6	Confident	118 Å²	118	77.5 Å²	77.5	45%	0.445	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-28.1	-170.3	-65.9	179.1	-177.1	156.6	-0.2	114.5	K254 T335 I339	K254-R337 PolarHBondContact NZ-O 3.06Å; K254-R337 PolarHBondContact O-NE 3.3Å; K254-R337 VanDerWaalsContact O-NE 3.1Å; T335-R337 PolarHBondContact O-N 3.23Å; R337-I339 VanDerWaalsContact C-N 3.3Å
338	H	87.4	Confident	88.6	Confident	67 Å²	67	80 Å²	80	31%	0.31	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-14.5	-179.4	66.4	-99.6	0	0	0	113.2	D64 Q65 P336 P340	D64-H338 HydrophobicContact CB-CB 3.43Å; D64-H338 VanDerWaalsContact CB-CB 3.43Å; Q65-H338 VanDerWaalsContact CA-O 3.29Å; Q65-H338 WeakPolarHBondContact CA-O 3.15Å; Q65-H338 HydrophobicContact CB-CB 4.38Å; Q65-H338 WeakPolarHBondContact CB-O 3.24Å; Q65-H338 WeakPolarHBondContact CG-O 3.43Å; P336-H338 VanDerWaalsContact CB-CE1 3.48Å; P336-H338 WeakPolarHBondContact CB-CE1 3.33Å; P336-H338 PolarHBondContact O-N 2.99Å; P336-H338 VanDerWaalsContact O-N 3.08Å; H338-P340 VanDerWaalsContact O-CD 3.32Å; H338-P340 WeakPolarHBondContact O-CD 3.45Å
339	I	89.7	Confident	88.7	Confident	46 Å²	46	80.7 Å²	80.7	24%	0.236	43%	0.432	C	S	.	.	S	Bend	trans	-80.6	120.2	176.7	-59.9	179.5	0	0	0	108.1	Y68 T335 P336 R337 S341	Y68-I339 HydrophobicContact CD2-CG1 4.34Å; Y68-I339 HydrophobicContact CE1-CG2 4.31Å; Y68-I339 HydrophobicContact CE2-CD1 4.45Å; Y68-I339 HydrophobicContact CE2-CG1 4.09Å; T335-I339 HydrophobicContact CG2-CB 4.1Å; T335-I339 HydrophobicContact CG2-CD1 4.25Å; T335-I339 HydrophobicContact CG2-CG2 4.38Å; P336-I339 HydrophobicContact CB-CD1 4.1Å; P336-I339 HydrophobicContact CB-CG1 4.22Å; P336-I339 HydrophobicContact CG-CD1 4.03Å; P336-I339 PolarHBondContact O-N 3.34Å; R337-I339 VanDerWaalsContact C-N 3.3Å; I339-S341 PolarHBondContact O-N 3.44Å
340	P	85.2	Confident	88.9	Confident	58 Å²	58	77.8 Å²	77.8	38%	0.377	42%	0.421	S	S	.	.			trans	-63.6	128.1	174.8	-18.4	31.3	0	0	0	110.3	Q65 Y68 V69 H338	Q65-P340 HydrophobicContact CG-CG 4.08Å; Y68-P340 HydrophobicContact CD1-CG 4.5Å; V69-P340 HydrophobicContact CG2-CG 3.66Å; H338-P340 VanDerWaalsContact O-CD 3.32Å; H338-P340 WeakPolarHBondContact O-CD 3.45Å
341	S	83.1	Confident	89.3	Confident	71 Å²	71	74.7 Å²	74.7	50%	0.497	40%	0.4	S	S	.	.			trans	-121.3	144.1	174.4	58.8	0	0	0	0	110.1	I339	I339-S341 PolarHBondContact O-N 3.44Å
342	K	83.1	Confident	89.6	Confident	181 Å²	181	71.8 Å²	71.8	79%	0.787	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-69.8	130.2	170.2	-171.8	178.7	178.6	-175.4	0	107.8	S344	K342-S344 PolarHBondContact O-N 2.98Å
343	P	84.6	Confident	89.9	Confident	50 Å²	50	71.2 Å²	71.2	33%	0.325	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-55.9	137	175.3	-24.7	33.6	0	0	0	110.9	I347 Q348	P343-I347 HydrophobicContact CB-CB 4.17Å; P343-I347 HydrophobicContact CB-CG2 3.92Å; P343-Q348 HydrophobicContact CB-CG 4.01Å; P343-Q348 PolarHBondContact O-NE2 3.17Å
344	S	89.9	Confident	90.4	Very high	59 Å²	59	66.1 Å²	66.1	41%	0.413	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-63.1	161.1	173.2	64.9	0	0	0	0	110.7	K342 G346 I347 Q348	K342-S344 PolarHBondContact O-N 2.98Å; S344-G346 VanDerWaalsContact C-N 3.28Å; S344-G346 PolarHBondContact O-N 2.95Å; S344-I347 PolarHBondContact O-N 3.07Å; S344-I347 WeakPolarHBondContact OG-CG1 3.35Å; S344-Q348 WeakPolarHBondContact O-CG 3.35Å; S344-Q348 PolarHBondContact O-N 3.07Å
345	E	91.1	Very high	90.8	Very high	152 Å²	152	59.2 Å²	59.2	71%	0.71	32%	0.323	S	S	*	.	H	α-helix	trans	-54.4	-45.5	178.6	-172.6	173	-165.9	0	0	111.6	I347 Q348 D349	E345-I347 VanDerWaalsContact C-N 3.29Å; E345-I347 PolarHBondContact O-N 2.87Å; E345-Q348 WeakPolarHBondContact O-CB 3.31Å; E345-Q348 PolarHBondContact O-N 3.4Å; E345-D349 PolarHBondContact O-N 3.29Å
346	G	92.6	Very high	91.2	Very high	47 Å²	47	56.8 Å²	56.8	49%	0.485	31%	0.306	S	S	.	.	H	α-helix	trans	-60.6	-33.4	176.6	0	0	0	0	0	114.3	S344 F350	S344-G346 VanDerWaalsContact C-N 3.28Å; S344-G346 PolarHBondContact O-N 2.95Å; G346-F350 WeakPolarHBondContact O-CB 3.48Å; G346-F350 PolarHBondContact O-N 3.27Å
347	I	93	Very high	91.4	Very high	11 Å²	11	55.7 Å²	55.7	6%	0.056	29%	0.293	C	S	.	.	H	α-helix	trans	-73.1	-39.9	174.2	-62.8	-64.5	0	0	0	110.9	L253 V327 F332 P343 S344 E345 D349 F350 V351	L253-I347 HydrophobicContact CD1-CG2 3.98Å; V327-I347 HydrophobicContact CB-CD1 4.37Å; V327-I347 HydrophobicContact CG1-CD1 3.49Å; V327-I347 VanDerWaalsContact CG1-CD1 3.49Å; V327-I347 HydrophobicContact CG2-CD1 4.01Å; F332-I347 HydrophobicContact CE2-CD1 3.96Å; F332-I347 HydrophobicContact CZ-CD1 3.71Å; F332-I347 HydrophobicContact CZ-CG1 3.93Å; P343-I347 HydrophobicContact CB-CB 4.17Å; P343-I347 HydrophobicContact CB-CG2 3.92Å; S344-I347 PolarHBondContact O-N 3.07Å; S344-I347 WeakPolarHBondContact OG-CG1 3.35Å; E345-I347 VanDerWaalsContact C-N 3.29Å; E345-I347 PolarHBondContact O-N 2.87Å; I347-D349 VanDerWaalsContact C-N 3.32Å; I347-D349 PolarHBondContact O-N 3.17Å; I347-F350 PolarHBondContact O-N 3.35Å; I347-V351 HydrophobicContact CG2-CG2 4.35Å; I347-V351 WeakPolarHBondContact O-CG2 3.41Å; I347-V351 PolarHBondContact O-N 3.39Å
348	Q	93.3	Very high	91.8	Very high	74 Å²	74	50.2 Å²	50.2	35%	0.346	27%	0.272	S	S	.	.	H	α-helix	trans	-61.4	-43.7	175.8	-66.3	176.2	37.8	0	0	110.8	P343 S344 E345 V351 N352	P343-Q348 HydrophobicContact CB-CG 4.01Å; P343-Q348 PolarHBondContact O-NE2 3.17Å; S344-Q348 WeakPolarHBondContact O-CG 3.35Å; S344-Q348 PolarHBondContact O-N 3.07Å; E345-Q348 WeakPolarHBondContact O-CB 3.31Å; E345-Q348 PolarHBondContact O-N 3.4Å; Q348-V351 PolarHBondContact O-N 2.95Å; Q348-N352 VanDerWaalsContact O-CB 3.22Å; Q348-N352 WeakPolarHBondContact O-CB 3.29Å; Q348-N352 PolarHBondContact O-N 2.64Å
349	D	93.3	Very high	92.2	Very high	95 Å²	95	47 Å²	47	51%	0.508	26%	0.257	S	S	.	.	H	α-helix	trans	-63.5	-42.7	175.5	-72.7	-19.4	0	0	0	112	E345 I347 N352 D353	E345-D349 PolarHBondContact O-N 3.29Å; I347-D349 VanDerWaalsContact C-N 3.32Å; I347-D349 PolarHBondContact O-N 3.17Å; D349-N352 PolarHBondContact O-N 3.42Å; D349-D353 VanDerWaalsContact O-CB 3.29Å; D349-D353 WeakPolarHBondContact O-CB 3.5Å; D349-D353 PolarHBondContact O-N 3.49Å
350	F	94.8	Very high	92.4	Very high	9 Å²	9	47 Å²	47	4%	0.039	25%	0.254	C	S	.	.	H	α-helix	trans	-59.6	-47.4	175	164	-108.2	0	0	0	112.4	L322 A323 R326 V327 G346 I347 D353 S354	L322-F350 HydrophobicContact CB-CE2 3.92Å; L322-F350 HydrophobicContact CB-CZ 3.99Å; L322-F350 WeakPolarHBondContact O-CE2 3.36Å; A323-F350 HydrophobicContact CB-CE2 4.27Å; A323-F350 HydrophobicContact CB-CZ 3.9Å; R326-F350 HydrophobicContact CB-CD2 4.47Å; V327-F350 HydrophobicContact CG2-CB 4.06Å; V327-F350 HydrophobicContact CG2-CD1 3.69Å; V327-F350 HydrophobicContact CG2-CD2 3.92Å; V327-F350 HydrophobicContact CG2-CE1 4.13Å; V327-F350 HydrophobicContact CG2-CE2 4.34Å; V327-F350 HydrophobicContact CG2-CG 3.57Å; V327-F350 HydrophobicContact CG2-CZ 4.43Å; G346-F350 WeakPolarHBondContact O-CB 3.48Å; G346-F350 PolarHBondContact O-N 3.27Å; I347-F350 PolarHBondContact O-N 3.35Å; F350-D353 PolarHBondContact O-N 3.45Å; F350-S354 WeakPolarHBondContact CE2-OG 3.43Å; F350-S354 WeakPolarHBondContact O-CB 3.44Å; F350-S354 PolarHBondContact O-N 3.3Å; F350-S354 PolarHBondContact O-OG 3.49Å
351	V	95.9	Very high	92.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-67.9	-39.9	179.7	173.9	0	0	0	0	110.5	L242 L245 N246 I347 Q348 S354 A355	L242-V351 HydrophobicContact CB-CG1 4.39Å; L242-V351 HydrophobicContact CD2-CG1 4.43Å; L245-V351 HydrophobicContact CB-CG1 4.17Å; L245-V351 HydrophobicContact CD2-CG1 3.75Å; L245-V351 HydrophobicContact CG-CG1 3.85Å; N246-V351 WeakPolarHBondContact OD1-CG1 3.36Å; N246-V351 WeakPolarHBondContact OD1-CG2 3.08Å; I347-V351 HydrophobicContact CG2-CG2 4.35Å; I347-V351 WeakPolarHBondContact O-CG2 3.41Å; I347-V351 PolarHBondContact O-N 3.39Å; Q348-V351 PolarHBondContact O-N 2.95Å; V351-S354 PolarHBondContact O-N 3.06Å; V351-A355 WeakPolarHBondContact O-CB 3.42Å; V351-A355 PolarHBondContact O-N 3.26Å
352	N	95.3	Very high	93.6	Very high	41 Å²	41	42.3 Å²	42.3	22%	0.219	22%	0.222	C	C	.	.	H	α-helix	trans	-60.5	-50.3	174.4	-170.5	47	0	0	0	111.2	L242 Q348 D349 S354 A355 F356	L242-N352 HydrophobicContact CD1-CB 3.76Å; L242-N352 HydrophobicContact CD2-CB 4.46Å; Q348-N352 VanDerWaalsContact O-CB 3.22Å; Q348-N352 WeakPolarHBondContact O-CB 3.29Å; Q348-N352 PolarHBondContact O-N 2.64Å; D349-N352 PolarHBondContact O-N 3.42Å; N352-S354 VanDerWaalsContact C-N 3.3Å; N352-S354 PolarHBondContact O-N 2.98Å; N352-A355 WeakPolarHBondContact O-CB 3.43Å; N352-A355 PolarHBondContact O-N 3.05Å; N352-A355 VanDerWaalsContact O-N 3.14Å; N352-F356 WeakPolarHBondContact O-CD2 3.35Å; N352-F356 PolarHBondContact O-N 3.42Å; N352-F356 WeakPolarHBondContact OD1-CE2 3.46Å
353	D	94.7	Very high	94.2	Very high	22 Å²	22	34.7 Å²	34.7	12%	0.118	19%	0.189	C	C	.	.	H	α-helix	trans	-56.5	-45.2	176.8	-172	62.9	0	0	0	112.2	R326 D349 F350 A355 F356 R357 R526	R326-D353 IonicContact CZ-OD2 3.08Å; R326-D353 IonicContact NH1-OD2 3.49Å; R326-D353 PolarHBondContact NH1-OD2 3.39Å; D349-D353 VanDerWaalsContact O-CB 3.29Å; D349-D353 WeakPolarHBondContact O-CB 3.5Å; D349-D353 PolarHBondContact O-N 3.49Å; F350-D353 PolarHBondContact O-N 3.45Å; D353-A355 VanDerWaalsContact C-N 3.34Å; D353-A355 PolarHBondContact O-N 2.82Å; D353-F356 PolarHBondContact O-N 3.4Å; D353-R357 VanDerWaalsContact O-CG 3.31Å; D353-R357 WeakPolarHBondContact O-CG 3.41Å; D353-R357 PolarHBondContact O-N 2.97Å; D353-R357 IonicContact OD1-NE 2.76Å; D353-R357 IonicContact OD2-CZ 2.77Å; D353-R357 VanDerWaalsContact OD2-CZ 3.26Å; D353-R357 IonicContact OD2-NE 3.16Å; D353-R357 PolarHBondContact OD2-NE 3.47Å; D353-R357 IonicContact OD2-NH2 3.63Å; D353-R357 PolarHBondContact OD2-NH2 3.3Å; D353-R526 VanDerWaalsContact CG-NH2 3.31Å; D353-R526 IonicContact OD1-CZ 2.73Å; D353-R526 IonicContact OD1-NE 3.16Å; D353-R526 PolarHBondContact OD1-NE 2.86Å; D353-R526 IonicContact OD1-NH2 3.86Å; D353-R526 PolarHBondContact OD1-NH2 2.87Å; D353-R526 IonicContact OD2-NH2 2.9Å; D353-R526 PolarHBondContact OD2-NH2 2.91Å
354	S	96.2	Very high	94.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.7	-42.7	177.4	-60.7	0	0	0	0	111.4	F350 V351 N352 R357 L358	F350-S354 WeakPolarHBondContact CE2-OG 3.43Å; F350-S354 WeakPolarHBondContact O-CB 3.44Å; F350-S354 PolarHBondContact O-N 3.3Å; F350-S354 PolarHBondContact O-OG 3.49Å; V351-S354 PolarHBondContact O-N 3.06Å; N352-S354 VanDerWaalsContact C-N 3.3Å; N352-S354 PolarHBondContact O-N 2.98Å; S354-R357 PolarHBondContact O-N 3.45Å; S354-L358 WeakPolarHBondContact O-CD1 3.38Å; S354-L358 VanDerWaalsContact O-CG 3.28Å; S354-L358 WeakPolarHBondContact O-CG 3.34Å; S354-L358 PolarHBondContact O-N 3Å
355	A	97	Very high	94.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.3	-47.5	177.8	0	0	0	0	0	112.1	P240 L242 L245 V351 N352 D353 R357 L358 V359	P240-A355 HydrophobicContact CB-CB 3.69Å; P240-A355 HydrophobicContact CG-CB 3.66Å; L242-A355 HydrophobicContact CD2-CB 3.62Å; L245-A355 HydrophobicContact CD2-CB 3.53Å; V351-A355 WeakPolarHBondContact O-CB 3.42Å; V351-A355 PolarHBondContact O-N 3.26Å; N352-A355 WeakPolarHBondContact O-CB 3.43Å; N352-A355 PolarHBondContact O-N 3.05Å; N352-A355 VanDerWaalsContact O-N 3.14Å; D353-A355 VanDerWaalsContact C-N 3.34Å; D353-A355 PolarHBondContact O-N 2.82Å; A355-R357 VanDerWaalsContact C-N 3.31Å; A355-R357 PolarHBondContact O-N 3.26Å; A355-L358 PolarHBondContact O-N 3.39Å; A355-V359 WeakPolarHBondContact O-CG2 3.37Å; A355-V359 PolarHBondContact O-N 3.45Å
356	F	96.1	Very high	95.1	Very high	20 Å²	20	26.8 Å²	26.8	9%	0.088	14%	0.142	C	C	.	.	H	α-helix	trans	-63.3	-35.7	177.8	-86.6	-91.2	0	0	0	112.4	T239 P240 N352 D353 R360 I524 R526 P527	T239-F356 HydrophobicContact CG2-CZ 4.06Å; P240-F356 HydrophobicContact CG-CD2 3.94Å; P240-F356 HydrophobicContact CG-CE2 3.95Å; P240-F356 HydrophobicContact CG-CG 4.39Å; P240-F356 HydrophobicContact CG-CZ 4.43Å; N352-F356 WeakPolarHBondContact O-CD2 3.35Å; N352-F356 PolarHBondContact O-N 3.42Å; N352-F356 WeakPolarHBondContact OD1-CE2 3.46Å; D353-F356 PolarHBondContact O-N 3.4Å; F356-R360 WeakPolarHBondContact O-CB 3.3Å; F356-R360 PolarHBondContact O-N 2.93Å; F356-I524 HydrophobicContact CD1-CG2 3.73Å; F356-I524 HydrophobicContact CE1-CG2 4Å; F356-R526 HydrophobicContact CB-CG 4.5Å; F356-P527 HydrophobicContact CD2-CG 4.35Å; F356-P527 HydrophobicContact CE2-CG 3.99Å; F356-P527 HydrophobicContact CZ-CG 4.07Å
357	R	94.6	Very high	95.3	Very high	49 Å²	49	24.6 Å²	24.6	19%	0.185	12%	0.12	C	C	.	.	H	α-helix	trans	-64.8	-41.9	173.6	-71.6	171.3	-175.1	-126.1	-9.1	112.4	D353 S354 A355 R360 S361	D353-R357 VanDerWaalsContact O-CG 3.31Å; D353-R357 WeakPolarHBondContact O-CG 3.41Å; D353-R357 PolarHBondContact O-N 2.97Å; D353-R357 IonicContact OD1-NE 2.76Å; D353-R357 IonicContact OD2-CZ 2.77Å; D353-R357 VanDerWaalsContact OD2-CZ 3.26Å; D353-R357 IonicContact OD2-NE 3.16Å; D353-R357 PolarHBondContact OD2-NE 3.47Å; D353-R357 IonicContact OD2-NH2 3.63Å; D353-R357 PolarHBondContact OD2-NH2 3.3Å; S354-R357 PolarHBondContact O-N 3.45Å; A355-R357 VanDerWaalsContact C-N 3.31Å; A355-R357 PolarHBondContact O-N 3.26Å; R357-R360 PolarHBondContact O-N 3.08Å; R357-S361 PolarHBondContact O-N 2.98Å
358	L	97	Very high	95.5	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-66.6	-42.6	178.9	-69.1	160.6	0	0	0	111.2	L144 L227 L262 V317 S354 A355 S361 Q362	L144-L358 HydrophobicContact CD1-CD1 3.76Å; L144-L358 HydrophobicContact CD1-CD2 4.23Å; L144-L358 HydrophobicContact CD1-CG 4.39Å; L227-L358 HydrophobicContact CD1-CB 3.65Å; L262-L358 HydrophobicContact CB-CD1 4.4Å; L262-L358 HydrophobicContact CB-CD2 4.04Å; L262-L358 HydrophobicContact CD1-CD1 4.14Å; V317-L358 HydrophobicContact CB-CD2 4.19Å; V317-L358 HydrophobicContact CG2-CD2 3.99Å; S354-L358 WeakPolarHBondContact O-CD1 3.38Å; S354-L358 VanDerWaalsContact O-CG 3.28Å; S354-L358 WeakPolarHBondContact O-CG 3.34Å; S354-L358 PolarHBondContact O-N 3Å; A355-L358 PolarHBondContact O-N 3.39Å; L358-S361 WeakPolarHBondContact O-CB 3.17Å; L358-S361 PolarHBondContact O-N 3.05Å; L358-Q362 PolarHBondContact O-N 2.91Å
359	V	96.7	Very high	95.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.4	-44.8	173.5	177.8	0	0	0	0	111.1	L227 P240 A355 S361 Q362 E363 I524	L227-V359 HydrophobicContact CB-CG2 4.27Å; L227-V359 HydrophobicContact CD1-CG2 3.9Å; P240-V359 HydrophobicContact CB-CG2 4.21Å; P240-V359 HydrophobicContact CG-CG2 4.4Å; A355-V359 WeakPolarHBondContact O-CG2 3.37Å; A355-V359 PolarHBondContact O-N 3.45Å; V359-S361 PolarHBondContact O-N 3.14Å; V359-Q362 WeakPolarHBondContact O-CA 3.21Å; V359-Q362 WeakPolarHBondContact O-CB 3.22Å; V359-Q362 PolarHBondContact O-N 2.94Å; V359-E363 PolarHBondContact O-N 2.82Å; V359-I524 HydrophobicContact CB-CG2 4.41Å; V359-I524 HydrophobicContact CG1-CB 4.48Å; V359-I524 HydrophobicContact CG1-CG1 4.2Å; V359-I524 HydrophobicContact CG1-CG2 3.9Å
360	R	94.2	Very high	95.8	Very high	46 Å²	46	16.6 Å²	16.6	17%	0.174	8%	0.079	C	C	.	.	H	α-helix	trans	-58.1	-38.2	174	-175.7	177.3	178	153.3	9.9	111.7	F356 R357 Q362 E363 E364 E536	F356-R360 WeakPolarHBondContact O-CB 3.3Å; F356-R360 PolarHBondContact O-N 2.93Å; R357-R360 PolarHBondContact O-N 3.08Å; R360-Q362 VanDerWaalsContact C-N 3.34Å; R360-Q362 PolarHBondContact O-N 3.33Å; R360-E363 PolarHBondContact O-N 3.26Å; R360-E364 HydrophobicContact CG-CG 4.4Å; R360-E364 IonicContact CZ-OE1 3.7Å; R360-E364 IonicContact NE-OE1 3.67Å; R360-E364 PolarHBondContact NE-OE1 3.07Å; R360-E364 WeakPolarHBondContact O-CG 3.44Å; R360-E364 PolarHBondContact O-N 3.45Å; R360-E536 IonicContact CZ-OE2 2.85Å; R360-E536 IonicContact NH1-OE2 3.8Å; R360-E536 IonicContact NH2-OE1 3.38Å; R360-E536 PolarHBondContact NH2-OE1 2.96Å; R360-E536 VanDerWaalsContact NH2-OE1 3.17Å; R360-E536 IonicContact NH2-OE2 3.54Å; R360-E536 PolarHBondContact NH2-OE2 3.03Å
361	S	95.2	Very high	96	Very high	27 Å²	27	16.2 Å²	16.2	19%	0.189	8%	0.078	C	C	.	.	H	α-helix	trans	-66.2	-33.4	174.5	-172.7	0	0	0	0	113	P264 R357 L358 V359 E363 N365	P264-S361 WeakPolarHBondContact CG-OG 3.41Å; R357-S361 PolarHBondContact O-N 2.98Å; L358-S361 WeakPolarHBondContact O-CB 3.17Å; L358-S361 PolarHBondContact O-N 3.05Å; V359-S361 PolarHBondContact O-N 3.14Å; S361-E363 VanDerWaalsContact C-N 3.35Å; S361-N365 WeakPolarHBondContact O-CB 3.48Å; S361-N365 PolarHBondContact O-N 2.73Å; S361-N365 PolarHBondContact O-ND2 2.77Å
362	Q	96.7	Very high	96.1	Very high	4 Å²	4	16.2 Å²	16.2	2%	0.019	8%	0.078	C	C	.	.	H	α-helix	trans	-65.7	-40.7	172.9	-65.5	170.6	-39	0	0	110.9	L144 P145 P264 S266 L358 V359 R360 N365 M366	L144-Q362 PolarHBondContact O-NE2 2.83Å; P145-Q362 PolarHBondContact O-NE2 3.46Å; P264-Q362 HydrophobicContact CB-CG 3.87Å; S266-Q362 WeakPolarHBondContact CB-O 3.28Å; S266-Q362 PolarHBondContact OG-O 2.83Å; L358-Q362 PolarHBondContact O-N 2.91Å; V359-Q362 WeakPolarHBondContact O-CA 3.21Å; V359-Q362 WeakPolarHBondContact O-CB 3.22Å; V359-Q362 PolarHBondContact O-N 2.94Å; R360-Q362 VanDerWaalsContact C-N 3.34Å; R360-Q362 PolarHBondContact O-N 3.33Å; Q362-N365 PolarHBondContact O-N 2.74Å; Q362-M366 PolarHBondContact O-N 2.84Å
363	E	95.3	Very high	96.2	Very high	20 Å²	20	14.3 Å²	14.3	9%	0.093	7%	0.067	C	C	.	.	H	α-helix	trans	-66	-50.1	177.7	-69	-176.7	150.9	0	0	112	S237 V359 R360 S361 N365 M366 H485	S237-E363 WeakPolarHBondContact CB-OE1 3.35Å; S237-E363 VanDerWaalsContact OG-CG 3.28Å; S237-E363 WeakPolarHBondContact OG-CG 3.28Å; S237-E363 PolarHBondContact OG-OE1 2.97Å; V359-E363 PolarHBondContact O-N 2.82Å; R360-E363 PolarHBondContact O-N 3.26Å; S361-E363 VanDerWaalsContact C-N 3.35Å; E363-N365 PolarHBondContact O-N 3.35Å; E363-N365 VanDerWaalsContact O-N 3.11Å; E363-M366 WeakPolarHBondContact O-CB 3.36Å; E363-M366 PolarHBondContact O-N 2.84Å; E363-H485 HydrophobicContact CB-CB 4.07Å; E363-H485 HydrophobicContact CG-CB 4.18Å; E363-H485 PolarHBondContact O-NE2 3.27Å; E363-H485 VanDerWaalsContact O-NE2 3.14Å
364	E	93.6	Very high	96.4	Very high	72 Å²	72	13.2 Å²	13.2	34%	0.336	6%	0.062	S	C	.	.	H	α-helix	trans	-58.7	-27.1	178.2	-73.9	179.4	-165.2	0	0	113.2	K15 R360	K15-E364 IonicContact NZ-OE2 3.16Å; K15-E364 PolarHBondContact NZ-OE2 3.07Å; R360-E364 HydrophobicContact CG-CG 4.4Å; R360-E364 IonicContact CZ-OE1 3.7Å; R360-E364 IonicContact NE-OE1 3.67Å; R360-E364 PolarHBondContact NE-OE1 3.07Å; R360-E364 WeakPolarHBondContact O-CG 3.44Å; R360-E364 PolarHBondContact O-N 3.45Å
365	N	95.4	Very high	96.5	Very high	16 Å²	16	13.2 Å²	13.2	9%	0.086	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	2	179.3	-67.7	-20.7	0	0	0	113.2	Y312 S361 Q362 E363 V367	Y312-N365 HydrophobicContact CD1-CB 3.43Å; Y312-N365 VanDerWaalsContact CD1-CB 3.43Å; Y312-N365 VanDerWaalsContact CD1-CG 3.46Å; Y312-N365 HydrophobicContact CE1-CB 3.87Å; Y312-N365 WeakPolarHBondContact CE1-ND2 3.31Å; Y312-N365 HydrophobicContact CG-CB 4.05Å; S361-N365 WeakPolarHBondContact O-CB 3.48Å; S361-N365 PolarHBondContact O-N 2.73Å; S361-N365 PolarHBondContact O-ND2 2.77Å; Q362-N365 PolarHBondContact O-N 2.74Å; E363-N365 PolarHBondContact O-N 3.35Å; E363-N365 VanDerWaalsContact O-N 3.11Å; N365-V367 PolarHBondContact O-N 3.36Å
366	M	96	Very high	96.5	Very high	8 Å²	8	13.3 Å²	13.3	4%	0.039	6%	0.063	C	C	.	.			trans	-72.6	121.6	-180	-174.9	-178.1	-66.1	0	0	111.1	S266 S268 Q362 E363 L368 F412 Q482	S266-M366 VanDerWaalsContact OG-CA 3.27Å; S266-M366 WeakPolarHBondContact OG-CA 3.36Å; S266-M366 PolarHBondContact OG-N 3.35Å; S268-M366 WeakPolarHBondContact OG-CG 3.48Å; Q362-M366 PolarHBondContact O-N 2.84Å; E363-M366 WeakPolarHBondContact O-CB 3.36Å; E363-M366 PolarHBondContact O-N 2.84Å; M366-L368 HydrophobicContact CG-CD2 4.18Å; M366-L368 PolarHBondContact O-N 3.37Å; M366-L368 HydrophobicContact SD-CD2 4.02Å; M366-F412 WeakPolarHBondContact O-CB 3.43Å; M366-Q482 HydrophobicContact SD-CB 4.01Å
367	V	96.4	Very high	96.5	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.006	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	105.9	179.1	-178.6	0	0	0	0	110.2	F20 S268 H310 N365 F412 H414	F20-V367 HydrophobicContact CE2-CG2 4.16Å; F20-V367 HydrophobicContact CZ-CG2 3.64Å; S268-V367 WeakPolarHBondContact CB-O 3.22Å; S268-V367 PolarHBondContact OG-N 3.29Å; S268-V367 PolarHBondContact OG-O 3.08Å; H310-V367 HydrophobicContact CB-CB 3.95Å; H310-V367 HydrophobicContact CB-CG1 4.3Å; H310-V367 HydrophobicContact CB-CG2 4.03Å; N365-V367 PolarHBondContact O-N 3.36Å; V367-F412 CarbonylContact C-O 3.44Å; V367-F412 VanDerWaalsContact CA-O 3.29Å; V367-F412 WeakPolarHBondContact CA-O 3.48Å; V367-F412 HydrophobicContact CG2-CD1 3.8Å; V367-F412 HydrophobicContact CG2-CD2 4.4Å; V367-F412 HydrophobicContact CG2-CE1 3.8Å; V367-F412 HydrophobicContact CG2-CE2 4.4Å; V367-F412 HydrophobicContact CG2-CG 4.14Å; V367-F412 HydrophobicContact CG2-CZ 4.14Å; V367-H414 HydrophobicContact CG1-CB 3.48Å; V367-H414 VanDerWaalsContact CG1-CB 3.48Å
368	L	97.3	Very high	96.6	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	136.9	177.9	-58.5	-177	0	0	0	111.5	M366 V372 A411 F412 L413 H414 Q482 V483 V486	M366-L368 HydrophobicContact CG-CD2 4.18Å; M366-L368 PolarHBondContact O-N 3.37Å; M366-L368 HydrophobicContact SD-CD2 4.02Å; L368-V372 HydrophobicContact CD2-CG1 4.43Å; L368-A411 HydrophobicContact CD1-CB 4.11Å; L368-F412 PolarHBondContact N-O 2.87Å; L368-L413 HydrophobicContact CB-CD1 3.79Å; L368-L413 WeakPolarHBondContact O-CD1 3.47Å; L368-H414 PolarHBondContact O-N 3.08Å; L368-Q482 HydrophobicContact CD2-CB 3.97Å; L368-V483 HydrophobicContact CD1-CB 3.87Å; L368-V483 HydrophobicContact CD1-CG2 3.52Å; L368-V486 HydrophobicContact CD1-CG2 3.98Å
369	K	96.3	Very high	96.5	Very high	4 Å²	4	10.8 Å²	10.8	2%	0.017	5%	0.053	C	C	.	.			trans	-97.6	156.3	177.6	-61.6	-64.3	177.4	175.2	0	111.3	E270 S308 H310 W371 V372 H414	E270-K369 HydrophobicContact CB-CG 4.3Å; E270-K369 HydrophobicContact CG-CB 4.46Å; E270-K369 HydrophobicContact CG-CG 4.19Å; S308-K369 PolarHBondContact OG-NZ 3.25Å; S308-K369 VanDerWaalsContact OG-NZ 3.07Å; H310-K369 PolarHBondContact CE1-NZ 3.14Å; H310-K369 PolarHBondContact ND1-NZ 2.97Å; H310-K369 PolarHBondContact NE2-NZ 3.05Å; H310-K369 VanDerWaalsContact NE2-NZ 3.18Å; K369-W371 PolarHBondContact O-N 3.1Å; K369-W371 VanDerWaalsContact O-N 3.14Å; K369-V372 VanDerWaalsContact O-CB 3.3Å; K369-V372 WeakPolarHBondContact O-CB 3.31Å; K369-V372 PolarHBondContact O-N 2.88Å; K369-H414 HydrophobicContact CD-CB 4.35Å
370	P	97.6	Very high	96.3	Very high	7 Å²	7	12.4 Å²	12.4	5%	0.045	6%	0.061	C	C	.	.	H	α-helix	trans	-53.2	-37.1	177	-28	36.4	0	0	0	113.3	V372 L373 L374 H414 W415 V424	P370-V372 PolarHBondContact O-N 3.2Å; P370-L373 WeakPolarHBondContact O-CB 3.31Å; P370-L373 PolarHBondContact O-N 3.04Å; P370-L373 VanDerWaalsContact O-N 3.08Å; P370-L374 PolarHBondContact O-N 3.04Å; P370-L374 VanDerWaalsContact O-N 3.1Å; P370-H414 WeakPolarHBondContact CD-O 3.36Å; P370-W415 HydrophobicContact CB-CE3 3.77Å; P370-W415 HydrophobicContact CB-CH2 4.48Å; P370-W415 HydrophobicContact CB-CZ3 3.64Å; P370-W415 HydrophobicContact CG-CD2 4.41Å; P370-W415 HydrophobicContact CG-CE3 3.8Å; P370-W415 HydrophobicContact CG-CZ3 4.19Å; P370-V424 HydrophobicContact CB-CG1 3.69Å; P370-V424 HydrophobicContact CG-CG1 3.54Å
371	W	97.8	Very high	96	Very high	1 Å²	1	11.7 Å²	11.7	0%	0.004	6%	0.061	C	C	.	.	H	α-helix	trans	-57.4	-33.2	176.7	-179.8	-114.3	0	0	0	114	K369 L373 L374 A375 L378 L429 H432 L435 V436 Y479	K369-W371 PolarHBondContact O-N 3.1Å; K369-W371 VanDerWaalsContact O-N 3.14Å; W371-L373 VanDerWaalsContact C-N 3.27Å; W371-L373 PolarHBondContact O-N 2.72Å; W371-L374 HydrophobicContact CE3-CB 4.08Å; W371-L374 HydrophobicContact CE3-CD1 4.18Å; W371-L374 HydrophobicContact CZ3-CB 4.43Å; W371-L374 PolarHBondContact O-N 3.04Å; W371-A375 VanDerWaalsContact O-CB 3.31Å; W371-A375 WeakPolarHBondContact O-CB 3.49Å; W371-A375 PolarHBondContact O-N 3.16Å; W371-L378 HydrophobicContact CH2-CD1 4.26Å; W371-L378 HydrophobicContact CZ3-CD1 4.38Å; W371-L429 HydrophobicContact CZ3-CD2 4.15Å; W371-H432 AromaticContact CD1-CD2 3.54Å; W371-H432 AromaticContact CD1-CE1 3.41Å; W371-H432 VanDerWaalsContact CD1-CE1 3.41Å; W371-H432 AromaticContact CD1-CG 3.88Å; W371-H432 AromaticContact CD1-ND1 3.81Å; W371-H432 AromaticContact CD1-NE2 3.24Å; W371-H432 HydrophobicContact CD2-CB 3.96Å; W371-H432 AromaticContact CD2-CD2 3.91Å; W371-H432 AromaticContact CD2-CE1 3.7Å; W371-H432 AromaticContact CD2-CG 3.45Å; W371-H432 VanDerWaalsContact CD2-CG 3.45Å; W371-H432 AromaticContact CD2-ND1 3.32Å; W371-H432 VanDerWaalsContact CD2-ND1 3.32Å; W371-H432 AromaticContact CE2-CD2 3.53Å; W371-H432 AromaticContact CE2-CG 3.33Å; W371-H432 AromaticContact CE2-ND1 3.74Å; W371-H432 HydrophobicContact CE3-CB 4.04Å; W371-H432 AromaticContact CE3-CG 3.91Å; W371-H432 AromaticContact CE3-ND1 3.67Å; W371-H432 AromaticContact CG-CD2 3.94Å; W371-H432 AromaticContact CG-CE1 3.25Å; W371-H432 AromaticContact CG-CG 3.83Å; W371-H432 AromaticContact CG-ND1 3.41Å; W371-H432 AromaticContact CG-NE2 3.6Å; W371-H432 HydrophobicContact CH2-CB 3.56Å; W371-H432 HydrophobicContact CZ2-CB 3.46Å; W371-H432 VanDerWaalsContact CZ2-CB 3.46Å; W371-H432 AromaticContact CZ2-CG 3.73Å; W371-H432 HydrophobicContact CZ3-CB 3.86Å; W371-H432 AromaticContact NE1-CD2 3.27Å; W371-H432 PolarHBondContact NE1-CD2 3.49Å; W371-H432 VanDerWaalsContact NE1-CD2 3.27Å; W371-H432 AromaticContact NE1-CE1 3.93Å; W371-H432 AromaticContact NE1-CG 3.6Å; W371-H432 AromaticContact NE1-ND1 3.99Å; W371-H432 AromaticContact NE1-NE2 3.52Å; W371-L435 HydrophobicContact CZ2-CB 4.21Å; W371-L435 HydrophobicContact CZ2-CD1 3.96Å; W371-V436 HydrophobicContact CH2-CB 4.43Å; W371-V436 HydrophobicContact CH2-CG1 3.69Å; W371-V436 HydrophobicContact CH2-CG2 3.86Å; W371-V436 HydrophobicContact CZ3-CG1 4.39Å; W371-V436 HydrophobicContact CZ3-CG2 4.17Å; W371-Y479 AromaticContact CD1-CD1 3.49Å; W371-Y479 VanDerWaalsContact CD1-CD1 3.49Å; W371-Y479 AromaticContact CD1-CD2 3.76Å; W371-Y479 AromaticContact CD1-CE1 3.87Å; W371-Y479 AromaticContact CD1-CG 3.43Å; W371-Y479 VanDerWaalsContact CD1-CG 3.43Å; W371-Y479 AromaticContact NE1-CD1 3.83Å; W371-Y479 AromaticContact NE1-CD2 3.17Å; W371-Y479 AromaticContact NE1-CE2 3.53Å; W371-Y479 AromaticContact NE1-CG 3.35Å; W371-Y479 VanDerWaalsContact NE1-CG 3.35Å
372	V	98.2	Very high	95.6	Very high	1 Å²	1	13 Å²	13	1%	0.006	6%	0.064	C	C	.	.	H	α-helix	trans	-59.7	-41.3	176.5	169.8	0	0	0	0	111	L368 K369 P370 A376 Y479 Q482 V483	L368-V372 HydrophobicContact CD2-CG1 4.43Å; K369-V372 VanDerWaalsContact O-CB 3.3Å; K369-V372 WeakPolarHBondContact O-CB 3.31Å; K369-V372 PolarHBondContact O-N 2.88Å; P370-V372 PolarHBondContact O-N 3.2Å; V372-A376 PolarHBondContact O-N 3.01Å; V372-Y479 VanDerWaalsContact CG1-O 3.31Å; V372-Y479 WeakPolarHBondContact CG1-O 3.3Å; V372-Q482 HydrophobicContact CG1-CB 4.21Å; V372-Q482 HydrophobicContact CG2-CB 4.13Å; V372-V483 HydrophobicContact CG1-CB 3.58Å; V372-V483 HydrophobicContact CG1-CG1 3.78Å
373	L	98.4	Very high	95	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-72.2	-42.2	178.2	-53	-171.8	0	0	0	111	P370 W371 A376 L377 L402 R403 L413 V483	P370-L373 WeakPolarHBondContact O-CB 3.31Å; P370-L373 PolarHBondContact O-N 3.04Å; P370-L373 VanDerWaalsContact O-N 3.08Å; W371-L373 VanDerWaalsContact C-N 3.27Å; W371-L373 PolarHBondContact O-N 2.72Å; L373-A376 WeakPolarHBondContact O-CB 3.43Å; L373-A376 PolarHBondContact O-N 3.35Å; L373-L377 WeakPolarHBondContact O-CG 3.25Å; L373-L377 PolarHBondContact O-N 3.05Å; L373-L377 VanDerWaalsContact O-N 3.08Å; L373-L402 HydrophobicContact CB-CD2 3.91Å; L373-L402 HydrophobicContact CB-CG 4.29Å; L373-L402 HydrophobicContact CD1-CG 4.46Å; L373-L402 HydrophobicContact CD2-CD2 4.21Å; L373-L402 HydrophobicContact CD2-CG 4.14Å; L373-R403 HydrophobicContact CD1-CB 4.04Å; L373-L413 HydrophobicContact CD1-CD1 3.93Å; L373-L413 HydrophobicContact CD1-CD2 3.97Å; L373-L413 HydrophobicContact CG-CD1 4.22Å; L373-V483 HydrophobicContact CD2-CG2 4.24Å
374	L	98.3	Very high	94.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.3	-43.3	176.9	-64.5	176.2	0	0	0	112	P370 W371 A376 L377 L378 L395 A399 V425	P370-L374 PolarHBondContact O-N 3.04Å; P370-L374 VanDerWaalsContact O-N 3.1Å; W371-L374 HydrophobicContact CE3-CB 4.08Å; W371-L374 HydrophobicContact CE3-CD1 4.18Å; W371-L374 HydrophobicContact CZ3-CB 4.43Å; W371-L374 PolarHBondContact O-N 3.04Å; L374-A376 VanDerWaalsContact C-N 3.31Å; L374-A376 PolarHBondContact O-N 3.23Å; L374-L377 PolarHBondContact O-N 2.86Å; L374-L378 WeakPolarHBondContact O-CB 3.37Å; L374-L378 VanDerWaalsContact O-CG 3.24Å; L374-L378 WeakPolarHBondContact O-CG 3.24Å; L374-L378 PolarHBondContact O-N 2.97Å; L374-L395 HydrophobicContact CD2-CD1 4.12Å; L374-L395 HydrophobicContact CD2-CD2 4.17Å; L374-L395 HydrophobicContact CD2-CG 3.91Å; L374-A399 HydrophobicContact CD2-CB 3.63Å; L374-V425 HydrophobicContact CD1-CG1 4.16Å; L374-V425 HydrophobicContact CD1-CG2 4.48Å; L374-V425 HydrophobicContact CD2-CG1 4.11Å; L374-V425 HydrophobicContact CD2-CG2 4.08Å
375	A	97.8	Very high	93.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.7	-41.1	176.3	0	0	0	0	0	111.4	W371 L378 L379 C476	W371-A375 VanDerWaalsContact O-CB 3.31Å; W371-A375 WeakPolarHBondContact O-CB 3.49Å; W371-A375 PolarHBondContact O-N 3.16Å; A375-L378 PolarHBondContact O-N 2.66Å; A375-L379 WeakPolarHBondContact O-CB 3.32Å; A375-L379 WeakPolarHBondContact O-CD1 3.31Å; A375-L379 VanDerWaalsContact O-CG 3.23Å; A375-L379 WeakPolarHBondContact O-CG 3.28Å; A375-L379 PolarHBondContact O-N 3.08Å; A375-L379 VanDerWaalsContact O-N 3.07Å; A375-C476 HydrophobicContact CB-CB 4.46Å
376	A	97.8	Very high	92.6	Very high	2 Å²	2	17.3 Å²	17.3	2%	0.017	12%	0.115	C	C	.	.	H	α-helix	trans	-60	-47.1	175.1	0	0	0	0	0	112	V372 L373 L374 Q380 L402 R480	V372-A376 PolarHBondContact O-N 3.01Å; L373-A376 WeakPolarHBondContact O-CB 3.43Å; L373-A376 PolarHBondContact O-N 3.35Å; L374-A376 VanDerWaalsContact C-N 3.31Å; L374-A376 PolarHBondContact O-N 3.23Å; A376-Q380 WeakPolarHBondContact O-CG 3.08Å; A376-Q380 PolarHBondContact O-N 2.87Å; A376-Q380 VanDerWaalsContact O-N 3.17Å; A376-L402 HydrophobicContact CB-CD2 4.38Å; A376-R480 HydrophobicContact CB-CB 4.2Å; A376-R480 HydrophobicContact CB-CG 3.63Å
377	L	97	Very high	91.5	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.016	15%	0.153	C	C	.	.	H	α-helix	trans	-66.7	-42.3	179.3	-66.4	169.2	0	0	0	112.2	L373 L374 L379 Q380 N381 L395 Q398 A399 L402	L373-L377 WeakPolarHBondContact O-CG 3.25Å; L373-L377 PolarHBondContact O-N 3.05Å; L373-L377 VanDerWaalsContact O-N 3.08Å; L374-L377 PolarHBondContact O-N 2.86Å; L377-L379 PolarHBondContact O-N 3.38Å; L377-Q380 PolarHBondContact O-N 2.81Å; L377-N381 WeakPolarHBondContact O-CB 3.37Å; L377-N381 PolarHBondContact O-N 2.7Å; L377-N381 PolarHBondContact O-ND2 3.41Å; L377-L395 HydrophobicContact CB-CD1 3.98Å; L377-L395 HydrophobicContact CD1-CD1 4.27Å; L377-Q398 HydrophobicContact CD1-CB 3.72Å; L377-Q398 HydrophobicContact CD2-CB 4.04Å; L377-Q398 HydrophobicContact CG-CB 4.45Å; L377-A399 HydrophobicContact CD1-CB 4.13Å; L377-L402 HydrophobicContact CD1-CD2 4.25Å; L377-L402 HydrophobicContact CD2-CD2 4.07Å; L377-L402 HydrophobicContact CG-CD2 3.89Å
378	L	95.7	Very high	90.6	Very high	7 Å²	7	31.9 Å²	31.9	4%	0.037	18%	0.183	C	C	.	.	H	α-helix	trans	-63.5	-40.9	179.6	-72.5	170.4	0	0	0	111.9	W371 L374 A375 N381 Q382 L395 V436 V443 L445	W371-L378 HydrophobicContact CH2-CD1 4.26Å; W371-L378 HydrophobicContact CZ3-CD1 4.38Å; L374-L378 WeakPolarHBondContact O-CB 3.37Å; L374-L378 VanDerWaalsContact O-CG 3.24Å; L374-L378 WeakPolarHBondContact O-CG 3.24Å; L374-L378 PolarHBondContact O-N 2.97Å; A375-L378 PolarHBondContact O-N 2.66Å; L378-N381 PolarHBondContact O-N 2.91Å; L378-Q382 WeakPolarHBondContact O-CB 3.4Å; L378-Q382 PolarHBondContact O-N 3.17Å; L378-L395 HydrophobicContact CD2-CD1 4.31Å; L378-L395 HydrophobicContact CD2-CD2 4.14Å; L378-L395 HydrophobicContact CG-CD1 4.43Å; L378-V436 HydrophobicContact CD1-CG1 3.7Å; L378-V443 HydrophobicContact CD1-CG1 4.39Å; L378-V443 HydrophobicContact CD2-CB 4.3Å; L378-V443 HydrophobicContact CD2-CG1 3.83Å; L378-L445 HydrophobicContact CB-CD2 4.29Å; L378-L445 HydrophobicContact CD1-CD2 4.33Å
379	L	95.1	Very high	90.1	Very high	7 Å²	7	32.1 Å²	32.1	4%	0.037	19%	0.185	C	C	.	.	H	α-helix	trans	-64	-43.9	175.4	-70.6	168.4	0	0	0	111.8	A375 L377 Q382 A383 L445 V473 C476 A477 R480	A375-L379 WeakPolarHBondContact O-CB 3.32Å; A375-L379 WeakPolarHBondContact O-CD1 3.31Å; A375-L379 VanDerWaalsContact O-CG 3.23Å; A375-L379 WeakPolarHBondContact O-CG 3.28Å; A375-L379 PolarHBondContact O-N 3.08Å; A375-L379 VanDerWaalsContact O-N 3.07Å; L377-L379 PolarHBondContact O-N 3.38Å; L379-Q382 PolarHBondContact O-N 2.8Å; L379-A383 WeakPolarHBondContact O-CB 3.13Å; L379-A383 PolarHBondContact O-N 2.89Å; L379-L445 HydrophobicContact CD2-CD1 4.34Å; L379-V473 HydrophobicContact CD2-CG1 3.84Å; L379-C476 HydrophobicContact CD1-CB 4.24Å; L379-C476 HydrophobicContact CD2-CB 4.06Å; L379-C476 HydrophobicContact CG-CB 4.19Å; L379-A477 HydrophobicContact CD1-CB 4.17Å; L379-R480 HydrophobicContact CD1-CB 3.96Å; L379-R480 HydrophobicContact CD1-CG 4.43Å
380	Q	91.7	Very high	89.9	Confident	35 Å²	35	32.2 Å²	32.2	16%	0.164	19%	0.186	C	C	.	.	H	α-helix	trans	-63.4	-44.2	177.1	-73.3	-178	-14.4	0	0	112.3	A376 L377 A383 A384 F566	A376-Q380 WeakPolarHBondContact O-CG 3.08Å; A376-Q380 PolarHBondContact O-N 2.87Å; A376-Q380 VanDerWaalsContact O-N 3.17Å; L377-Q380 PolarHBondContact O-N 2.81Å; Q380-A383 PolarHBondContact O-N 2.88Å; Q380-A384 PolarHBondContact O-N 3.05Å; Q380-F566 VanDerWaalsContact NE2-CD2 3.26Å; Q380-F566 PolarHBondContact NE2-O 2.93Å; Q380-F566 VanDerWaalsContact NE2-O 3.15Å
381	N	89	Confident	89.8	Confident	31 Å²	31	34.6 Å²	34.6	17%	0.166	20%	0.198	C	C	.	.	H	α-helix	trans	-64.8	-39.6	177.5	-80.7	-75	0	0	0	112.1	L377 L378 A384 N386 V390 Q398	L377-N381 WeakPolarHBondContact O-CB 3.37Å; L377-N381 PolarHBondContact O-N 2.7Å; L377-N381 PolarHBondContact O-ND2 3.41Å; L378-N381 PolarHBondContact O-N 2.91Å; N381-A384 PolarHBondContact O-N 3.47Å; N381-N386 WeakPolarHBondContact O-CB 3.21Å; N381-N386 PolarHBondContact O-N 2.79Å; N381-V390 HydrophobicContact CB-CG2 3.48Å; N381-V390 VanDerWaalsContact CB-CG2 3.48Å; N381-V390 VanDerWaalsContact CG-CG2 3.4Å; N381-Q398 PolarHBondContact ND2-OE1 2.75Å
382	Q	86.4	Confident	89.7	Confident	54 Å²	54	36.3 Å²	36.3	25%	0.252	21%	0.209	S	C	.	.	H	α-helix	trans	-61.9	-46	174.2	-176.9	-175.7	40	0	0	111	L378 L379 A384 G385 L445	L378-Q382 WeakPolarHBondContact O-CB 3.4Å; L378-Q382 PolarHBondContact O-N 3.17Å; L379-Q382 PolarHBondContact O-N 2.8Å; Q382-A384 VanDerWaalsContact C-N 3.29Å; Q382-A384 PolarHBondContact O-N 3.31Å; Q382-G385 PolarHBondContact O-N 3.49Å; Q382-G385 VanDerWaalsContact O-N 3.08Å; Q382-L445 VanDerWaalsContact OE1-CD1 3.31Å
383	A	83.3	Confident	89.6	Confident	14 Å²	14	44 Å²	44	12%	0.116	24%	0.244	C	C	.	.	H	α-helix	trans	-60.4	-41.4	178.4	0	0	0	0	0	110.7	L379 Q380 G385 K616 Y617	L379-A383 WeakPolarHBondContact O-CB 3.13Å; L379-A383 PolarHBondContact O-N 2.89Å; Q380-A383 PolarHBondContact O-N 2.88Å; A383-G385 PolarHBondContact O-N 3.21Å; A383-K616 HydrophobicContact CB-CD 4.43Å; A383-K616 HydrophobicContact CB-CG 4.42Å; A383-K616 WeakPolarHBondContact O-CE 3.41Å; A383-Y617 HydrophobicContact CB-CD1 3.9Å; A383-Y617 HydrophobicContact CB-CE1 3.31Å
384	A	81.4	Confident	89.5	Confident	78 Å²	78	47.3 Å²	47.3	65%	0.645	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	1.4	176.4	0	0	0	0	0	114.9	Q380 N381 Q382	Q380-A384 PolarHBondContact O-N 3.05Å; N381-A384 PolarHBondContact O-N 3.47Å; Q382-A384 VanDerWaalsContact C-N 3.29Å; Q382-A384 PolarHBondContact O-N 3.31Å
385	G	76.7	Confident	89.4	Confident	50 Å²	50	47.3 Å²	47.3	52%	0.515	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	11.9	175.1	0	0	0	0	0	113.9	Q382 A383 K387	Q382-G385 PolarHBondContact O-N 3.49Å; Q382-G385 VanDerWaalsContact O-N 3.08Å; A383-G385 PolarHBondContact O-N 3.21Å; G385-K387 VanDerWaalsContact C-N 3.31Å; G385-K387 PolarHBondContact O-N 2.55Å
386	N	77	Confident	89.4	Confident	61 Å²	61	48.1 Å²	48.1	33%	0.326	27%	0.267	S	S	.	.			trans	-74.7	81.7	179.2	-171.8	-1.4	0	0	0	111.6	N381 L388 G389	N381-N386 WeakPolarHBondContact O-CB 3.21Å; N381-N386 PolarHBondContact O-N 2.79Å; N386-L388 VanDerWaalsContact C-N 3.28Å; N386-L388 PolarHBondContact O-N 3.21Å; N386-L388 PolarHBondContact OD1-N 3Å; N386-G389 PolarHBondContact ND2-O 3.27Å; N386-G389 PolarHBondContact O-N 3.07Å; N386-G389 PolarHBondContact OD1-N 3.49Å; N386-G389 PolarHBondContact OD1-O 2.98Å
387	K	72.5	Confident	89.4	Confident	194 Å²	194	54 Å²	54	84%	0.843	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-24.8	179.1	-65.3	-175.7	-178.2	-179.2	0	113.5	G385 G389	G385-K387 VanDerWaalsContact C-N 3.31Å; G385-K387 PolarHBondContact O-N 2.55Å; K387-G389 VanDerWaalsContact C-N 3.27Å; K387-G389 PolarHBondContact O-N 2.9Å
388	L	77.3	Confident	89.4	Confident	121 Å²	121	56 Å²	56	63%	0.634	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-8.5	-179.8	-68.9	168.1	0	0	0	112.6	N386 R442 Q444	N386-L388 VanDerWaalsContact C-N 3.28Å; N386-L388 PolarHBondContact O-N 3.21Å; N386-L388 PolarHBondContact OD1-N 3Å; L388-R442 VanDerWaalsContact O-CD 3.32Å; L388-R442 WeakPolarHBondContact O-CD 3.37Å; L388-Q444 PolarHBondContact O-NE2 3.08Å
389	G	86.1	Confident	89.5	Confident	5 Å²	5	55.7 Å²	55.7	5%	0.052	30%	0.302	C	S	.	.			trans	79	174	-175.6	0	0	0	0	0	113.5	N386 K387 R442 V443 Q444	N386-G389 PolarHBondContact ND2-O 3.27Å; N386-G389 PolarHBondContact O-N 3.07Å; N386-G389 PolarHBondContact OD1-N 3.49Å; N386-G389 PolarHBondContact OD1-O 2.98Å; K387-G389 VanDerWaalsContact C-N 3.27Å; K387-G389 PolarHBondContact O-N 2.9Å; G389-R442 PolarHBondContact O-NH1 3.33Å; G389-V443 CarbonylContact C-O 3.45Å; G389-V443 VanDerWaalsContact CA-O 3.22Å; G389-V443 WeakPolarHBondContact CA-O 3.49Å; G389-Q444 VanDerWaalsContact CA-CG 3.5Å
390	V	92.9	Very high	89.7	Confident	6 Å²	6	57.1 Å²	57.1	4%	0.036	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136	-173.7	-172.2	0	0	0	0	109.1	N381 D394 L395 R442 V443	N381-V390 HydrophobicContact CB-CG2 3.48Å; N381-V390 VanDerWaalsContact CB-CG2 3.48Å; N381-V390 VanDerWaalsContact CG-CG2 3.4Å; V390-D394 HydrophobicContact CG1-CB 4Å; V390-L395 HydrophobicContact CG1-CB 3.97Å; V390-R442 CarbonylContact O-C 3.56Å; V390-R442 VanDerWaalsContact O-CA 3.31Å; V390-R442 WeakPolarHBondContact O-CA 3.4Å; V390-V443 PolarHBondContact N-O 2.94Å; V390-V443 PolarHBondContact O-N 3.45Å
391	L	95.2	Very high	90	Very high	57 Å²	57	58 Å²	58	30%	0.298	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	142.4	172.8	-69.9	166.9	0	0	0	109.6	E393 D394 L395 R442	L391-E393 PolarHBondContact O-N 3.17Å; L391-D394 HydrophobicContact CB-CB 4.32Å; L391-D394 PolarHBondContact O-N 3.3Å; L391-L395 WeakPolarHBondContact O-CB 3.11Å; L391-L395 PolarHBondContact O-N 2.94Å; L391-R442 HydrophobicContact CD2-CG 3.69Å; L391-R442 HydrophobicContact CG-CG 4.36Å
392	V	96.1	Very high	90.4	Very high	37 Å²	37	56.6 Å²	56.6	22%	0.224	31%	0.305	C	S	.	.	H	α-helix	trans	-58.8	-34.6	179.9	171.8	0	0	0	0	111.2	T396 V438 G441 V443	V392-T396 WeakPolarHBondContact O-CB 3.39Å; V392-T396 PolarHBondContact O-N 3.4Å; V392-T396 PolarHBondContact O-OG1 3.26Å; V392-V438 HydrophobicContact CG2-CG1 4.06Å; V392-G441 WeakPolarHBondContact CG2-O 3.48Å; V392-G441 PolarHBondContact N-O 2.91Å; V392-V443 HydrophobicContact CG2-CG2 3.52Å
393	E	96.1	Very high	90.9	Very high	161 Å²	161	55.8 Å²	55.8	75%	0.752	30%	0.3	S	S	*	.	H	α-helix	trans	-64.9	-52.8	176.8	-66.2	175.2	-176.6	0	0	111.3	L391 L395 T396 E397	L391-E393 PolarHBondContact O-N 3.17Å; E393-L395 VanDerWaalsContact C-N 3.32Å; E393-L395 PolarHBondContact O-N 2.81Å; E393-T396 WeakPolarHBondContact O-CA 3.2Å; E393-T396 WeakPolarHBondContact O-CB 3.34Å; E393-T396 PolarHBondContact O-N 2.81Å; E393-E397 PolarHBondContact O-N 3.43Å
394	D	95.8	Very high	91.5	Very high	70 Å²	70	57.8 Å²	57.8	37%	0.374	31%	0.308	S	S	.	.	H	α-helix	trans	-58	-43.6	176	-58.6	-16	0	0	0	111.8	V390 L391 T396 E397 Q398	V390-D394 HydrophobicContact CG1-CB 4Å; L391-D394 HydrophobicContact CB-CB 4.32Å; L391-D394 PolarHBondContact O-N 3.3Å; D394-T396 VanDerWaalsContact C-N 3.27Å; D394-T396 PolarHBondContact O-N 3.18Å; D394-E397 PolarHBondContact O-N 3.11Å; D394-Q398 WeakPolarHBondContact O-CB 3.37Å; D394-Q398 VanDerWaalsContact O-CG 3.27Å; D394-Q398 WeakPolarHBondContact O-CG 3.43Å; D394-Q398 PolarHBondContact O-N 2.87Å
395	L	96.9	Very high	92.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.2	-37.2	177.6	-177.8	64.4	0	0	0	110.9	L374 L377 L378 V390 L391 E393 A399 V425 L429 V443	L374-L395 HydrophobicContact CD2-CD1 4.12Å; L374-L395 HydrophobicContact CD2-CD2 4.17Å; L374-L395 HydrophobicContact CD2-CG 3.91Å; L377-L395 HydrophobicContact CB-CD1 3.98Å; L377-L395 HydrophobicContact CD1-CD1 4.27Å; L378-L395 HydrophobicContact CD2-CD1 4.31Å; L378-L395 HydrophobicContact CD2-CD2 4.14Å; L378-L395 HydrophobicContact CG-CD1 4.43Å; V390-L395 HydrophobicContact CG1-CB 3.97Å; L391-L395 WeakPolarHBondContact O-CB 3.11Å; L391-L395 PolarHBondContact O-N 2.94Å; E393-L395 VanDerWaalsContact C-N 3.32Å; E393-L395 PolarHBondContact O-N 2.81Å; L395-A399 WeakPolarHBondContact O-CB 3.47Å; L395-A399 PolarHBondContact O-N 3.45Å; L395-V425 HydrophobicContact CD2-CG1 4.41Å; L395-L429 HydrophobicContact CD2-CD2 4.43Å; L395-V443 HydrophobicContact CD2-CB 4.2Å; L395-V443 HydrophobicContact CD2-CG1 4.32Å; L395-V443 HydrophobicContact CD2-CG2 3.92Å
396	T	98.1	Very high	93.2	Very high	17 Å²	17	51.9 Å²	51.9	10%	0.104	25%	0.254	C	S	.	.	H	α-helix	trans	-66.7	-44.4	177.3	-59.8	0	0	0	0	111.2	V392 E393 D394 A399 V400 P421 V425	V392-T396 WeakPolarHBondContact O-CB 3.39Å; V392-T396 PolarHBondContact O-N 3.4Å; V392-T396 PolarHBondContact O-OG1 3.26Å; E393-T396 WeakPolarHBondContact O-CA 3.2Å; E393-T396 WeakPolarHBondContact O-CB 3.34Å; E393-T396 PolarHBondContact O-N 2.81Å; D394-T396 VanDerWaalsContact C-N 3.27Å; D394-T396 PolarHBondContact O-N 3.18Å; T396-A399 PolarHBondContact O-N 2.71Å; T396-V400 WeakPolarHBondContact O-CG2 3.33Å; T396-V400 PolarHBondContact O-N 2.98Å; T396-P421 HydrophobicContact CG2-CB 3.75Å; T396-V425 HydrophobicContact CG2-CG2 4.19Å
397	E	97.8	Very high	94	Very high	127 Å²	127	52.4 Å²	52.4	59%	0.593	25%	0.251	S	S	*	.	H	α-helix	trans	-62	-46.2	175.8	-168.1	-166.4	148.9	0	0	111.4	E393 D394 A399 V400 W401	E393-E397 PolarHBondContact O-N 3.43Å; D394-E397 PolarHBondContact O-N 3.11Å; E397-A399 VanDerWaalsContact C-N 3.31Å; E397-A399 PolarHBondContact O-N 3.26Å; E397-V400 PolarHBondContact O-N 3.46Å; E397-W401 PolarHBondContact O-N 3.39Å
398	Q	97.2	Very high	95	Very high	45 Å²	45	47.2 Å²	47.2	21%	0.21	23%	0.23	C	C	.	.	H	α-helix	trans	-61	-40.1	175.9	-70.6	175.5	44.9	0	0	112	L377 N381 D394 W401 L402	L377-Q398 HydrophobicContact CD1-CB 3.72Å; L377-Q398 HydrophobicContact CD2-CB 4.04Å; L377-Q398 HydrophobicContact CG-CB 4.45Å; N381-Q398 PolarHBondContact ND2-OE1 2.75Å; D394-Q398 WeakPolarHBondContact O-CB 3.37Å; D394-Q398 VanDerWaalsContact O-CG 3.27Å; D394-Q398 WeakPolarHBondContact O-CG 3.43Å; D394-Q398 PolarHBondContact O-N 2.87Å; Q398-W401 PolarHBondContact O-N 3.33Å; Q398-L402 WeakPolarHBondContact O-CB 3.28Å; Q398-L402 PolarHBondContact O-N 3.44Å
399	A	98	Very high	95.8	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.2	-38.8	177.8	0	0	0	0	0	112.3	L374 L377 L395 T396 E397 L402 R403 W415 V425	L374-A399 HydrophobicContact CD2-CB 3.63Å; L377-A399 HydrophobicContact CD1-CB 4.13Å; L395-A399 WeakPolarHBondContact O-CB 3.47Å; L395-A399 PolarHBondContact O-N 3.45Å; T396-A399 PolarHBondContact O-N 2.71Å; E397-A399 VanDerWaalsContact C-N 3.31Å; E397-A399 PolarHBondContact O-N 3.26Å; A399-L402 PolarHBondContact O-N 3.41Å; A399-R403 WeakPolarHBondContact O-CB 3.46Å; A399-R403 PolarHBondContact O-N 2.91Å; A399-W415 HydrophobicContact CB-CH2 4.24Å; A399-V425 HydrophobicContact CB-CG2 4.22Å
400	V	98.1	Very high	96.1	Very high	36 Å²	36	42.5 Å²	42.5	22%	0.218	21%	0.208	C	C	.	.	H	α-helix	trans	-64.1	-46.5	174.4	167.6	0	0	0	0	110.9	T396 E397 L402 R403 D404 P421	T396-V400 WeakPolarHBondContact O-CG2 3.33Å; T396-V400 PolarHBondContact O-N 2.98Å; E397-V400 PolarHBondContact O-N 3.46Å; V400-L402 PolarHBondContact O-N 3.42Å; V400-R403 WeakPolarHBondContact O-CB 3.22Å; V400-R403 PolarHBondContact O-N 3.39Å; V400-D404 PolarHBondContact O-N 2.67Å; V400-D404 VanDerWaalsContact O-N 3.08Å; V400-P421 HydrophobicContact CG2-CB 3.5Å; V400-P421 HydrophobicContact CG2-CG 3.69Å
401	W	97.6	Very high	96.1	Very high	55 Å²	55	42.4 Å²	42.4	21%	0.208	21%	0.207	C	C	.	.	H	α-helix	trans	-58.7	-47.4	175	168	77.8	0	0	0	111.8	E397 Q398 R403 D404 L405 R562 F566	E397-W401 PolarHBondContact O-N 3.39Å; Q398-W401 PolarHBondContact O-N 3.33Å; W401-R403 PolarHBondContact O-N 3.47Å; W401-D404 PolarHBondContact O-N 3.34Å; W401-L405 HydrophobicContact CH2-CD2 3.89Å; W401-L405 HydrophobicContact CZ2-CD2 3.82Å; W401-L405 WeakPolarHBondContact O-CB 3.35Å; W401-L405 PolarHBondContact O-N 2.96Å; W401-R562 HydrophobicContact CH2-CG 4.26Å; W401-R562 HydrophobicContact CZ2-CG 3.83Å; W401-F566 HydrophobicContact CH2-CB 3.6Å; W401-F566 HydrophobicContact CH2-CD1 4.24Å; W401-F566 HydrophobicContact CH2-CD2 4.18Å; W401-F566 AromaticContact CH2-CG 3.74Å; W401-F566 HydrophobicContact CH2-CG 3.74Å; W401-F566 HydrophobicContact CZ3-CB 4.21Å; W401-F566 AromaticContact CZ3-CD2 3.99Å; W401-F566 HydrophobicContact CZ3-CD2 3.99Å; W401-F566 HydrophobicContact CZ3-CG 4.03Å
402	L	97.8	Very high	96.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.2	-35.3	-179.2	-176.4	56	0	0	0	112	L373 A376 L377 Q398 A399 V400 D404 L405 S406 F487 F566	L373-L402 HydrophobicContact CB-CD2 3.91Å; L373-L402 HydrophobicContact CB-CG 4.29Å; L373-L402 HydrophobicContact CD1-CG 4.46Å; L373-L402 HydrophobicContact CD2-CD2 4.21Å; L373-L402 HydrophobicContact CD2-CG 4.14Å; A376-L402 HydrophobicContact CB-CD2 4.38Å; L377-L402 HydrophobicContact CD1-CD2 4.25Å; L377-L402 HydrophobicContact CD2-CD2 4.07Å; L377-L402 HydrophobicContact CG-CD2 3.89Å; Q398-L402 WeakPolarHBondContact O-CB 3.28Å; Q398-L402 PolarHBondContact O-N 3.44Å; A399-L402 PolarHBondContact O-N 3.41Å; V400-L402 PolarHBondContact O-N 3.42Å; L402-D404 VanDerWaalsContact C-N 3.33Å; L402-D404 PolarHBondContact O-N 3.28Å; L402-L405 HydrophobicContact CD1-CD2 4.32Å; L402-L405 PolarHBondContact O-N 2.74Å; L402-S406 VanDerWaalsContact O-CB 3.3Å; L402-S406 WeakPolarHBondContact O-CB 3.47Å; L402-S406 PolarHBondContact O-N 2.87Å; L402-S406 PolarHBondContact O-OG 3.48Å; L402-S406 VanDerWaalsContact O-OG 3.07Å; L402-F487 HydrophobicContact CD1-CE1 4.46Å; L402-F487 HydrophobicContact CD1-CE2 4.12Å; L402-F487 HydrophobicContact CD1-CZ 3.59Å; L402-F566 HydrophobicContact CD1-CD1 4.39Å; L402-F566 HydrophobicContact CD1-CD2 4.49Å; L402-F566 HydrophobicContact CD1-CE1 3.66Å; L402-F566 HydrophobicContact CD1-CE2 3.79Å; L402-F566 HydrophobicContact CD1-CZ 3.33Å; L402-F566 HydrophobicContact CD2-CE2 3.86Å; L402-F566 HydrophobicContact CD2-CZ 3.93Å; L402-F566 HydrophobicContact CG-CE2 4.49Å; L402-F566 HydrophobicContact CG-CZ 4.3Å
403	R	97.4	Very high	96	Very high	38 Å²	38	39.6 Å²	39.6	14%	0.143	19%	0.19	C	C	.	.	H	α-helix	trans	-55.8	-48.9	171.7	174.8	-156.2	70.9	-170.6	-2.2	110.7	L373 A399 V400 W401 S406 R407 L413 W415	L373-R403 HydrophobicContact CD1-CB 4.04Å; A399-R403 WeakPolarHBondContact O-CB 3.46Å; A399-R403 PolarHBondContact O-N 2.91Å; V400-R403 WeakPolarHBondContact O-CB 3.22Å; V400-R403 PolarHBondContact O-N 3.39Å; W401-R403 PolarHBondContact O-N 3.47Å; R403-S406 PolarHBondContact O-N 2.84Å; R403-R407 WeakPolarHBondContact O-CG 3.42Å; R403-R407 PolarHBondContact O-N 3.06Å; R403-L413 HydrophobicContact CB-CD2 4.07Å; R403-L413 HydrophobicContact CG-CD2 3.39Å; R403-W415 HydrophobicContact CB-CE3 4.32Å; R403-W415 HydrophobicContact CB-CZ3 4.49Å; R403-W415 HydrophobicContact CG-CB 4.43Å; R403-W415 HydrophobicContact CG-CD2 3.97Å; R403-W415 HydrophobicContact CG-CE3 4.05Å; R403-W415 HydrophobicContact CG-CG 4.13Å
404	D	96.1	Very high	95.9	Very high	55 Å²	55	35.6 Å²	35.6	29%	0.294	17%	0.172	S	C	.	.	H	α-helix	trans	-69.9	-40.8	-176.9	-65.1	-22.5	0	0	0	111.4	V400 W401 L402 R407 Q408	V400-D404 PolarHBondContact O-N 2.67Å; V400-D404 VanDerWaalsContact O-N 3.08Å; W401-D404 PolarHBondContact O-N 3.34Å; L402-D404 VanDerWaalsContact C-N 3.33Å; L402-D404 PolarHBondContact O-N 3.28Å; D404-R407 PolarHBondContact O-N 3.16Å; D404-Q408 WeakPolarHBondContact O-CG 3.39Å; D404-Q408 PolarHBondContact O-N 2.98Å
405	L	96.3	Very high	95.8	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.026	16%	0.156	C	C	.	.	H	α-helix	trans	-61.6	-46.4	172.8	-176.7	66.7	0	0	0	112.2	W401 L402 R407 Q408 F409 F487 T563 F566	W401-L405 HydrophobicContact CH2-CD2 3.89Å; W401-L405 HydrophobicContact CZ2-CD2 3.82Å; W401-L405 WeakPolarHBondContact O-CB 3.35Å; W401-L405 PolarHBondContact O-N 2.96Å; L402-L405 HydrophobicContact CD1-CD2 4.32Å; L402-L405 PolarHBondContact O-N 2.74Å; L405-R407 VanDerWaalsContact C-N 3.3Å; L405-R407 PolarHBondContact O-N 3.06Å; L405-Q408 WeakPolarHBondContact O-CB 3.35Å; L405-Q408 PolarHBondContact O-N 2.91Å; L405-F409 HydrophobicContact CD1-CD1 4.12Å; L405-F409 HydrophobicContact CD1-CE1 3.46Å; L405-F409 VanDerWaalsContact CD1-CE1 3.46Å; L405-F409 HydrophobicContact CD1-CZ 3.79Å; L405-F409 HydrophobicContact CD2-CE1 4.05Å; L405-F409 HydrophobicContact CG-CD1 3.97Å; L405-F409 HydrophobicContact CG-CE1 3.58Å; L405-F409 HydrophobicContact CG-CZ 4.4Å; L405-F409 WeakPolarHBondContact O-CD1 3.46Å; L405-F409 PolarHBondContact O-N 3.23Å; L405-F487 HydrophobicContact CD2-CE1 3.99Å; L405-F487 HydrophobicContact CG-CE1 4.08Å; L405-T563 HydrophobicContact CD1-CG2 3.9Å; L405-T563 HydrophobicContact CD2-CG2 3.86Å; L405-F566 HydrophobicContact CD2-CD1 4.27Å
406	S	96.6	Very high	95.5	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.5	-42.2	175.7	-72.2	0	0	0	0	111.7	L402 R403 F409 G410 A411 F487	L402-S406 VanDerWaalsContact O-CB 3.3Å; L402-S406 WeakPolarHBondContact O-CB 3.47Å; L402-S406 PolarHBondContact O-N 2.87Å; L402-S406 PolarHBondContact O-OG 3.48Å; L402-S406 VanDerWaalsContact O-OG 3.07Å; R403-S406 PolarHBondContact O-N 2.84Å; S406-F409 CarbonylContact O-C 3.57Å; S406-F409 PolarHBondContact O-N 3.19Å; S406-G410 PolarHBondContact O-N 3.34Å; S406-A411 WeakPolarHBondContact O-CB 3.19Å; S406-A411 PolarHBondContact O-N 3.41Å; S406-F487 VanDerWaalsContact OG-CZ 3.22Å; S406-F487 WeakPolarHBondContact OG-CZ 3.49Å
407	R	94.1	Very high	94.9	Very high	71 Å²	71	39.5 Å²	39.5	27%	0.268	19%	0.193	S	C	.	.	H	α-helix	trans	-62	-43.6	175.2	-76.3	172.9	168.2	177.7	-8	111.4	L13 R403 D404 L405 F409 G410 D417	L13-R407 VanDerWaalsContact CD2-O 3.3Å; L13-R407 WeakPolarHBondContact CD2-O 3.17Å; R403-R407 WeakPolarHBondContact O-CG 3.42Å; R403-R407 PolarHBondContact O-N 3.06Å; D404-R407 PolarHBondContact O-N 3.16Å; L405-R407 VanDerWaalsContact C-N 3.3Å; L405-R407 PolarHBondContact O-N 3.06Å; R407-F409 VanDerWaalsContact C-N 3.26Å; R407-F409 PolarHBondContact O-N 2.93Å; R407-G410 PolarHBondContact O-N 3.19Å; R407-D417 IonicContact CZ-OD1 3.88Å; R407-D417 IonicContact NH1-OD1 3.89Å; R407-D417 PolarHBondContact NH1-OD1 3.4Å; R407-D417 IonicContact NH2-OD1 3.41Å; R407-D417 PolarHBondContact NH2-OD1 3.25Å; R407-D417 IonicContact NH2-OD2 2.64Å
408	Q	92.9	Very high	94.5	Very high	86 Å²	86	42 Å²	42	40%	0.402	21%	0.205	S	C	.	.	H	α-helix	trans	-60.5	-34.6	176.7	-71	172.9	28.6	0	0	112.9	D404 L405 G410	D404-Q408 WeakPolarHBondContact O-CG 3.39Å; D404-Q408 PolarHBondContact O-N 2.98Å; L405-Q408 WeakPolarHBondContact O-CB 3.35Å; L405-Q408 PolarHBondContact O-N 2.91Å; Q408-G410 VanDerWaalsContact C-N 3.27Å; Q408-G410 PolarHBondContact O-N 3.41Å
409	F	94.4	Very high	94.4	Very high	11 Å²	11	42.4 Å²	42.4	5%	0.048	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	7.4	173.3	-64.4	139.9	0	0	0	114.7	L405 S406 R407 V486 F487 A490 L540 L541	L405-F409 HydrophobicContact CD1-CD1 4.12Å; L405-F409 HydrophobicContact CD1-CE1 3.46Å; L405-F409 VanDerWaalsContact CD1-CE1 3.46Å; L405-F409 HydrophobicContact CD1-CZ 3.79Å; L405-F409 HydrophobicContact CD2-CE1 4.05Å; L405-F409 HydrophobicContact CG-CD1 3.97Å; L405-F409 HydrophobicContact CG-CE1 3.58Å; L405-F409 HydrophobicContact CG-CZ 4.4Å; L405-F409 WeakPolarHBondContact O-CD1 3.46Å; L405-F409 PolarHBondContact O-N 3.23Å; S406-F409 CarbonylContact O-C 3.57Å; S406-F409 PolarHBondContact O-N 3.19Å; R407-F409 VanDerWaalsContact C-N 3.26Å; R407-F409 PolarHBondContact O-N 2.93Å; F409-V486 HydrophobicContact CB-CG1 3.62Å; F409-F487 AromaticContact CD1-CD1 3.42Å; F409-F487 HydrophobicContact CD1-CD1 3.42Å; F409-F487 VanDerWaalsContact CD1-CD1 3.42Å; F409-F487 AromaticContact CD1-CE1 3.24Å; F409-F487 HydrophobicContact CD1-CE1 3.24Å; F409-F487 HydrophobicContact CD1-CZ 4.38Å; F409-F487 AromaticContact CE1-CD1 3.59Å; F409-F487 HydrophobicContact CE1-CD1 3.59Å; F409-F487 AromaticContact CE1-CE1 3.5Å; F409-F487 HydrophobicContact CE1-CE1 3.5Å; F409-F487 VanDerWaalsContact CE1-CE1 3.5Å; F409-F487 HydrophobicContact CG-CE1 4.49Å; F409-A490 HydrophobicContact CZ-CB 4.41Å; F409-L540 HydrophobicContact CD2-CB 3.68Å; F409-L540 HydrophobicContact CD2-CD1 4.04Å; F409-L540 HydrophobicContact CD2-CD2 4.03Å; F409-L540 HydrophobicContact CD2-CG 4.11Å; F409-L540 HydrophobicContact CE2-CB 3.68Å; F409-L541 HydrophobicContact CE2-CD2 4.35Å; F409-L541 HydrophobicContact CZ-CD2 4Å
410	G	92.3	Very high	94.4	Very high	16 Å²	16	45.3 Å²	45.3	17%	0.165	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	11.3	172.8	0	0	0	0	0	115.7	R17 S406 R407 Q408	R17-G410 PolarHBondContact NH2-O 2.96Å; S406-G410 PolarHBondContact O-N 3.34Å; R407-G410 PolarHBondContact O-N 3.19Å; Q408-G410 VanDerWaalsContact C-N 3.27Å; Q408-G410 PolarHBondContact O-N 3.41Å
411	A	94.3	Very high	94.3	Very high	3 Å²	3	45.6 Å²	45.6	3%	0.025	23%	0.232	C	C	.	.			trans	-58.1	140.7	179.7	0	0	0	0	0	113	R17 L368 S406 L413 V486	R17-A411 PolarHBondContact NH1-O 3.04Å; R17-A411 VanDerWaalsContact NH1-O 3.14Å; R17-A411 PolarHBondContact NH2-O 2.95Å; L368-A411 HydrophobicContact CD1-CB 4.11Å; S406-A411 WeakPolarHBondContact O-CB 3.19Å; S406-A411 PolarHBondContact O-N 3.41Å; A411-L413 PolarHBondContact O-N 3.36Å; A411-V486 HydrophobicContact CB-CG1 4.03Å; A411-V486 HydrophobicContact CB-CG2 3.86Å
412	F	94.5	Very high	94.3	Very high	22 Å²	22	46.2 Å²	46.2	10%	0.096	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	82.1	169.1	-165	176.6	0	0	0	111.6	R17 F20 Y312 M366 V367 L368	R17-F412 HydrophobicContact CB-CE1 4.44Å; R17-F412 HydrophobicContact CB-CE2 4.34Å; R17-F412 HydrophobicContact CB-CZ 3.93Å; R17-F412 VanDerWaalsContact CD-CZ 3.48Å; R17-F412 HydrophobicContact CG-CE2 4.45Å; R17-F412 HydrophobicContact CG-CZ 4.27Å; R17-F412 VanDerWaalsContact NH1-CA 3.34Å; R17-F412 VanDerWaalsContact NH2-CA 3.34Å; F20-F412 HydrophobicContact CE2-CE1 4.12Å; F20-F412 HydrophobicContact CE2-CE2 4.22Å; F20-F412 AromaticContact CE2-CZ 3.49Å; F20-F412 HydrophobicContact CE2-CZ 3.49Å; F20-F412 VanDerWaalsContact CE2-CZ 3.49Å; F20-F412 HydrophobicContact CZ-CE1 4.14Å; F20-F412 AromaticContact CZ-CZ 3.97Å; F20-F412 HydrophobicContact CZ-CZ 3.97Å; Y312-F412 AromaticContact CD2-CE1 3.9Å; Y312-F412 HydrophobicContact CD2-CE1 3.9Å; Y312-F412 HydrophobicContact CE2-CE1 4.01Å; M366-F412 WeakPolarHBondContact O-CB 3.43Å; V367-F412 CarbonylContact C-O 3.44Å; V367-F412 VanDerWaalsContact CA-O 3.29Å; V367-F412 WeakPolarHBondContact CA-O 3.48Å; V367-F412 HydrophobicContact CG2-CD1 3.8Å; V367-F412 HydrophobicContact CG2-CD2 4.4Å; V367-F412 HydrophobicContact CG2-CE1 3.8Å; V367-F412 HydrophobicContact CG2-CE2 4.4Å; V367-F412 HydrophobicContact CG2-CG 4.14Å; V367-F412 HydrophobicContact CG2-CZ 4.14Å; L368-F412 PolarHBondContact N-O 2.87Å
413	L	94	Very high	94.2	Very high	13 Å²	13	54.6 Å²	54.6	7%	0.068	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	124.1	-176	-166.7	74.6	0	0	0	112.3	L368 L373 R403 A411 W415	L368-L413 HydrophobicContact CB-CD1 3.79Å; L368-L413 WeakPolarHBondContact O-CD1 3.47Å; L373-L413 HydrophobicContact CD1-CD1 3.93Å; L373-L413 HydrophobicContact CD1-CD2 3.97Å; L373-L413 HydrophobicContact CG-CD1 4.22Å; R403-L413 HydrophobicContact CB-CD2 4.07Å; R403-L413 HydrophobicContact CG-CD2 3.39Å; A411-L413 PolarHBondContact O-N 3.36Å; L413-W415 HydrophobicContact CD2-CB 3.81Å; L413-W415 HydrophobicContact CD2-CE3 4.22Å; L413-W415 HydrophobicContact CG-CB 4.06Å; L413-W415 PolarHBondContact O-N 3.27Å
414	H	93.7	Very high	94.2	Very high	78 Å²	78	53.2 Å²	53.2	36%	0.361	27%	0.272	S	S	.	.			trans	-87.3	79.4	167.4	-179.5	-77.3	0	0	0	109.7	H310 V367 L368 K369 P370	H310-H414 AromaticContact NE2-CD2 3.13Å; H310-H414 PolarHBondContact NE2-CD2 3.25Å; H310-H414 AromaticContact NE2-CG 3.73Å; H310-H414 AromaticContact NE2-NE2 3.56Å; V367-H414 HydrophobicContact CG1-CB 3.48Å; V367-H414 VanDerWaalsContact CG1-CB 3.48Å; L368-H414 PolarHBondContact O-N 3.08Å; K369-H414 HydrophobicContact CD-CB 4.35Å; P370-H414 WeakPolarHBondContact CD-O 3.36Å
415	W	93.2	Very high	94.3	Very high	11 Å²	11	50.6 Å²	50.6	4%	0.042	26%	0.258	C	S	.	.			trans	-111.2	115.9	173.1	-170.2	-72.8	0	0	0	109.2	P370 A399 R403 L413 D417 P421 V424 V425	P370-W415 HydrophobicContact CB-CE3 3.77Å; P370-W415 HydrophobicContact CB-CH2 4.48Å; P370-W415 HydrophobicContact CB-CZ3 3.64Å; P370-W415 HydrophobicContact CG-CD2 4.41Å; P370-W415 HydrophobicContact CG-CE3 3.8Å; P370-W415 HydrophobicContact CG-CZ3 4.19Å; A399-W415 HydrophobicContact CB-CH2 4.24Å; R403-W415 HydrophobicContact CB-CE3 4.32Å; R403-W415 HydrophobicContact CB-CZ3 4.49Å; R403-W415 HydrophobicContact CG-CB 4.43Å; R403-W415 HydrophobicContact CG-CD2 3.97Å; R403-W415 HydrophobicContact CG-CE3 4.05Å; R403-W415 HydrophobicContact CG-CG 4.13Å; L413-W415 HydrophobicContact CD2-CB 3.81Å; L413-W415 HydrophobicContact CD2-CE3 4.22Å; L413-W415 HydrophobicContact CG-CB 4.06Å; L413-W415 PolarHBondContact O-N 3.27Å; W415-D417 PolarHBondContact O-N 3.43Å; W415-D417 VanDerWaalsContact O-N 3.17Å; W415-P421 HydrophobicContact CZ2-CB 4.12Å; W415-V424 HydrophobicContact CD2-CG1 4.14Å; W415-V424 HydrophobicContact CE3-CG1 4.25Å; W415-V424 HydrophobicContact CH2-CB 4.38Å; W415-V424 HydrophobicContact CH2-CG1 3.95Å; W415-V424 HydrophobicContact CZ2-CB 3.91Å; W415-V424 HydrophobicContact CZ2-CG1 3.81Å; W415-V424 HydrophobicContact CZ2-CG2 4.33Å; W415-V424 HydrophobicContact CZ3-CG1 4.18Å; W415-V425 HydrophobicContact CH2-CG2 4.36Å
416	P	90.8	Very high	94.3	Very high	47 Å²	47	53.8 Å²	53.8	31%	0.305	28%	0.28	S	S	.	.			trans	-65.5	115.1	-178.9	-19.5	31.4	0	0	0	111.4	H418 V419	P416-H418 VanDerWaalsContact C-N 3.3Å; P416-H418 PolarHBondContact O-N 3.27Å; P416-V419 HydrophobicContact CB-CB 4.03Å; P416-V419 HydrophobicContact CB-CG2 3.7Å; P416-V419 PolarHBondContact O-N 3.36Å
417	D	84.9	Confident	94.3	Very high	110 Å²	110	56.6 Å²	56.6	59%	0.588	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-25.4	-174.3	-67.1	-46.8	0	0	0	113.1	R407 W415	R407-D417 IonicContact CZ-OD1 3.88Å; R407-D417 IonicContact NH1-OD1 3.89Å; R407-D417 PolarHBondContact NH1-OD1 3.4Å; R407-D417 IonicContact NH2-OD1 3.41Å; R407-D417 PolarHBondContact NH2-OD1 3.25Å; R407-D417 IonicContact NH2-OD2 2.64Å; W415-D417 PolarHBondContact O-N 3.43Å; W415-D417 VanDerWaalsContact O-N 3.17Å
418	H	91.1	Very high	94.4	Very high	179 Å²	179	53.4 Å²	53.4	83%	0.829	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-5.6	-178.3	-18.5	-61.8	0	0	0	113.2	P416	P416-H418 VanDerWaalsContact C-N 3.3Å; P416-H418 PolarHBondContact O-N 3.27Å
419	V	94.6	Very high	94.6	Very high	54 Å²	54	49.8 Å²	49.8	33%	0.327	27%	0.272	S	S	.	.	S	Bend	trans	-102.1	129	-177.6	-177.8	0	0	0	0	108.8	P416 R423 V424	P416-V419 HydrophobicContact CB-CB 4.03Å; P416-V419 HydrophobicContact CB-CG2 3.7Å; P416-V419 PolarHBondContact O-N 3.36Å; V419-R423 HydrophobicContact CG1-CB 3.78Å; V419-V424 HydrophobicContact CB-CG2 3.94Å; V419-V424 HydrophobicContact CG1-CG2 3.73Å
420	P	96.8	Very high	94.6	Very high	62 Å²	62	53.2 Å²	53.2	40%	0.403	30%	0.298	S	S	.	.			trans	-54.2	136.2	176.1	-26.7	34.2	0	0	0	111.7	S422 R423 V424	P420-S422 PolarHBondContact O-N 3.3Å; P420-S422 VanDerWaalsContact O-N 3.11Å; P420-R423 PolarHBondContact O-N 3.04Å; P420-V424 PolarHBondContact O-N 3.12Å
421	P	97.3	Very high	94.8	Very high	42 Å²	42	53.5 Å²	53.5	27%	0.273	30%	0.295	S	S	.	.	H	α-helix	trans	-51.7	-38.4	-178.2	-31.5	36.8	0	0	0	114.3	T396 V400 W415 R423 V424 V425	T396-P421 HydrophobicContact CG2-CB 3.75Å; V400-P421 HydrophobicContact CG2-CB 3.5Å; V400-P421 HydrophobicContact CG2-CG 3.69Å; W415-P421 HydrophobicContact CZ2-CB 4.12Å; P421-R423 VanDerWaalsContact C-N 3.3Å; P421-R423 PolarHBondContact O-N 3.48Å; P421-V424 WeakPolarHBondContact O-CB 3.27Å; P421-V424 PolarHBondContact O-N 2.83Å; P421-V424 VanDerWaalsContact O-N 3.13Å; P421-V425 WeakPolarHBondContact O-CG2 3.45Å; P421-V425 PolarHBondContact O-N 3.01Å
422	S	96.5	Very high	94.8	Very high	67 Å²	67	53.3 Å²	53.3	47%	0.469	29%	0.294	S	S	.	.	H	α-helix	trans	-58.7	-38	177.1	56.3	0	0	0	0	113.2	P420 S426	P420-S422 PolarHBondContact O-N 3.3Å; P420-S422 VanDerWaalsContact O-N 3.11Å; S422-S426 VanDerWaalsContact O-CB 3.24Å; S422-S426 WeakPolarHBondContact O-CB 3.39Å; S422-S426 PolarHBondContact O-N 2.65Å
423	R	97.4	Very high	94.7	Very high	177 Å²	177	61.3 Å²	61.3	67%	0.668	32%	0.323	S	S	*	.	H	α-helix	trans	-72.6	-37.9	175.3	-70.1	-168.3	-175.1	-178.8	2.6	112	V419 P420 P421 S427	V419-R423 HydrophobicContact CG1-CB 3.78Å; P420-R423 PolarHBondContact O-N 3.04Å; P421-R423 VanDerWaalsContact C-N 3.3Å; P421-R423 PolarHBondContact O-N 3.48Å; R423-S427 VanDerWaalsContact O-CB 3.31Å; R423-S427 WeakPolarHBondContact O-CB 3.44Å; R423-S427 PolarHBondContact O-N 3.24Å
424	V	97.3	Very high	94.5	Very high	9 Å²	9	63.1 Å²	63.1	6%	0.055	34%	0.337	C	S	.	.	H	α-helix	trans	-60.2	-50.2	175	179.9	0	0	0	0	109.8	P370 W415 V419 P420 P421 S427 S428	P370-V424 HydrophobicContact CB-CG1 3.69Å; P370-V424 HydrophobicContact CG-CG1 3.54Å; W415-V424 HydrophobicContact CD2-CG1 4.14Å; W415-V424 HydrophobicContact CE3-CG1 4.25Å; W415-V424 HydrophobicContact CH2-CB 4.38Å; W415-V424 HydrophobicContact CH2-CG1 3.95Å; W415-V424 HydrophobicContact CZ2-CB 3.91Å; W415-V424 HydrophobicContact CZ2-CG1 3.81Å; W415-V424 HydrophobicContact CZ2-CG2 4.33Å; W415-V424 HydrophobicContact CZ3-CG1 4.18Å; V419-V424 HydrophobicContact CB-CG2 3.94Å; V419-V424 HydrophobicContact CG1-CG2 3.73Å; P420-V424 PolarHBondContact O-N 3.12Å; P421-V424 WeakPolarHBondContact O-CB 3.27Å; P421-V424 PolarHBondContact O-N 2.83Å; P421-V424 VanDerWaalsContact O-N 3.13Å; V424-S427 PolarHBondContact O-N 2.92Å; V424-S428 PolarHBondContact O-N 3.26Å; V424-S428 PolarHBondContact O-OG 3.07Å
425	V	97.8	Very high	94.5	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61.3	-49.7	178.4	174.5	0	0	0	0	111.2	L374 L395 T396 A399 W415 P421 S427 S428 L429	L374-V425 HydrophobicContact CD1-CG1 4.16Å; L374-V425 HydrophobicContact CD1-CG2 4.48Å; L374-V425 HydrophobicContact CD2-CG1 4.11Å; L374-V425 HydrophobicContact CD2-CG2 4.08Å; L395-V425 HydrophobicContact CD2-CG1 4.41Å; T396-V425 HydrophobicContact CG2-CG2 4.19Å; A399-V425 HydrophobicContact CB-CG2 4.22Å; W415-V425 HydrophobicContact CH2-CG2 4.36Å; P421-V425 WeakPolarHBondContact O-CG2 3.45Å; P421-V425 PolarHBondContact O-N 3.01Å; V425-S427 VanDerWaalsContact C-N 3.35Å; V425-S427 PolarHBondContact O-N 3.47Å; V425-S428 PolarHBondContact O-N 2.86Å; V425-L429 HydrophobicContact CG1-CD1 3.87Å; V425-L429 HydrophobicContact CG1-CG 4.27Å; V425-L429 VanDerWaalsContact O-CG 3.28Å; V425-L429 WeakPolarHBondContact O-CG 3.29Å; V425-L429 PolarHBondContact O-N 3Å
426	S	96.5	Very high	94.5	Very high	71 Å²	71	59.4 Å²	59.4	50%	0.497	32%	0.321	S	S	.	.	H	α-helix	trans	-58.3	-43.6	178.2	-178.2	0	0	0	0	112.7	S422 S428 L429 S430	S422-S426 VanDerWaalsContact O-CB 3.24Å; S422-S426 WeakPolarHBondContact O-CB 3.39Å; S422-S426 PolarHBondContact O-N 2.65Å; S426-S428 PolarHBondContact O-N 3.35Å; S426-L429 PolarHBondContact O-N 3.34Å; S426-S430 WeakPolarHBondContact O-CB 3.15Å; S426-S430 PolarHBondContact O-N 3.41Å
427	S	95.9	Very high	94.6	Very high	60 Å²	60	64.4 Å²	64.4	42%	0.42	33%	0.334	S	S	.	.	H	α-helix	trans	-63.9	-40.8	176.6	-176.3	0	0	0	0	112.1	R423 V424 V425 S430 L431	R423-S427 VanDerWaalsContact O-CB 3.31Å; R423-S427 WeakPolarHBondContact O-CB 3.44Å; R423-S427 PolarHBondContact O-N 3.24Å; V424-S427 PolarHBondContact O-N 2.92Å; V425-S427 VanDerWaalsContact C-N 3.35Å; V425-S427 PolarHBondContact O-N 3.47Å; S427-S430 PolarHBondContact O-N 3.43Å; S427-L431 PolarHBondContact O-N 3.09Å; S427-L431 VanDerWaalsContact O-N 3.12Å
428	S	96.6	Very high	95	Very high	4 Å²	4	62.9 Å²	62.9	3%	0.028	33%	0.328	C	S	.	.	H	α-helix	trans	-67.6	-40.2	177.5	-68.1	0	0	0	0	112.4	V424 V425 S426 S430 L431 H432	V424-S428 PolarHBondContact O-N 3.26Å; V424-S428 PolarHBondContact O-OG 3.07Å; V425-S428 PolarHBondContact O-N 2.86Å; S426-S428 PolarHBondContact O-N 3.35Å; S428-S430 VanDerWaalsContact C-N 3.35Å; S428-L431 PolarHBondContact O-N 3.21Å; S428-H432 PolarHBondContact O-N 2.79Å; S428-H432 PolarHBondContact O-ND1 3.38Å
429	L	96.6	Very high	94.9	Very high	10 Å²	10	57.4 Å²	57.4	5%	0.052	31%	0.31	C	S	.	.	H	α-helix	trans	-61.6	-43.1	173.9	-67.9	170.6	0	0	0	111.3	W371 L395 V425 S426 L431 H432 R433 V436 V438 V443	W371-L429 HydrophobicContact CZ3-CD2 4.15Å; L395-L429 HydrophobicContact CD2-CD2 4.43Å; V425-L429 HydrophobicContact CG1-CD1 3.87Å; V425-L429 HydrophobicContact CG1-CG 4.27Å; V425-L429 VanDerWaalsContact O-CG 3.28Å; V425-L429 WeakPolarHBondContact O-CG 3.29Å; V425-L429 PolarHBondContact O-N 3Å; S426-L429 PolarHBondContact O-N 3.34Å; L429-L431 PolarHBondContact O-N 2.96Å; L429-H432 CarbonylContact O-C 3.49Å; L429-H432 PolarHBondContact O-N 3.44Å; L429-R433 PolarHBondContact O-N 2.91Å; L429-V436 HydrophobicContact CD2-CG2 3.97Å; L429-V438 HydrophobicContact CD1-CG2 4.2Å; L429-V443 HydrophobicContact CD1-CG2 3.88Å; L429-V443 HydrophobicContact CD2-CG1 3.64Å; L429-V443 HydrophobicContact CD2-CG2 4.3Å
430	S	95.3	Very high	94.6	Very high	83 Å²	83	63.7 Å²	63.7	58%	0.58	34%	0.336	S	S	*	.	H	α-helix	trans	-62.5	-42.8	179.4	-174.2	0	0	0	0	112.5	S426 S427 S428 H432 R433	S426-S430 WeakPolarHBondContact O-CB 3.15Å; S426-S430 PolarHBondContact O-N 3.41Å; S427-S430 PolarHBondContact O-N 3.43Å; S428-S430 VanDerWaalsContact C-N 3.35Å; S430-H432 VanDerWaalsContact C-N 3.27Å; S430-H432 PolarHBondContact O-N 3.38Å; S430-R433 PolarHBondContact O-N 2.65Å
431	L	95.2	Very high	94.3	Very high	21 Å²	21	62.7 Å²	62.7	11%	0.11	34%	0.337	C	S	.	.	H	α-helix	trans	-63.7	-33.9	178	-175	64.7	0	0	0	112.3	E270 N305 S427 S428 L429	E270-L431 HydrophobicContact CB-CD2 4.3Å; E270-L431 HydrophobicContact CG-CD2 3.49Å; E270-L431 VanDerWaalsContact CG-CD2 3.49Å; E270-L431 WeakPolarHBondContact OE1-CD2 3.39Å; N305-L431 HydrophobicContact CB-CD1 4.19Å; N305-L431 VanDerWaalsContact O-CD1 3.3Å; N305-L431 WeakPolarHBondContact O-CD1 3.09Å; S427-L431 PolarHBondContact O-N 3.09Å; S427-L431 VanDerWaalsContact O-N 3.12Å; S428-L431 PolarHBondContact O-N 3.21Å; L429-L431 PolarHBondContact O-N 2.96Å
432	H	95.2	Very high	94.1	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	29.5	-177.5	-59.1	88.1	0	0	0	113.2	E270 W371 S428 L429 S430 S434 L435 V436	E270-H432 PolarHBondContact O-NE2 3.21Å; E270-H432 VanDerWaalsContact O-NE2 3.16Å; W371-H432 AromaticContact CD1-CD2 3.54Å; W371-H432 AromaticContact CD1-CE1 3.41Å; W371-H432 VanDerWaalsContact CD1-CE1 3.41Å; W371-H432 AromaticContact CD1-CG 3.88Å; W371-H432 AromaticContact CD1-ND1 3.81Å; W371-H432 AromaticContact CD1-NE2 3.24Å; W371-H432 HydrophobicContact CD2-CB 3.96Å; W371-H432 AromaticContact CD2-CD2 3.91Å; W371-H432 AromaticContact CD2-CE1 3.7Å; W371-H432 AromaticContact CD2-CG 3.45Å; W371-H432 VanDerWaalsContact CD2-CG 3.45Å; W371-H432 AromaticContact CD2-ND1 3.32Å; W371-H432 VanDerWaalsContact CD2-ND1 3.32Å; W371-H432 AromaticContact CE2-CD2 3.53Å; W371-H432 AromaticContact CE2-CG 3.33Å; W371-H432 AromaticContact CE2-ND1 3.74Å; W371-H432 HydrophobicContact CE3-CB 4.04Å; W371-H432 AromaticContact CE3-CG 3.91Å; W371-H432 AromaticContact CE3-ND1 3.67Å; W371-H432 AromaticContact CG-CD2 3.94Å; W371-H432 AromaticContact CG-CE1 3.25Å; W371-H432 AromaticContact CG-CG 3.83Å; W371-H432 AromaticContact CG-ND1 3.41Å; W371-H432 AromaticContact CG-NE2 3.6Å; W371-H432 HydrophobicContact CH2-CB 3.56Å; W371-H432 HydrophobicContact CZ2-CB 3.46Å; W371-H432 VanDerWaalsContact CZ2-CB 3.46Å; W371-H432 AromaticContact CZ2-CG 3.73Å; W371-H432 HydrophobicContact CZ3-CB 3.86Å; W371-H432 AromaticContact NE1-CD2 3.27Å; W371-H432 PolarHBondContact NE1-CD2 3.49Å; W371-H432 VanDerWaalsContact NE1-CD2 3.27Å; W371-H432 AromaticContact NE1-CE1 3.93Å; W371-H432 AromaticContact NE1-CG 3.6Å; W371-H432 AromaticContact NE1-ND1 3.99Å; W371-H432 AromaticContact NE1-NE2 3.52Å; S428-H432 PolarHBondContact O-N 2.79Å; S428-H432 PolarHBondContact O-ND1 3.38Å; L429-H432 CarbonylContact O-C 3.49Å; L429-H432 PolarHBondContact O-N 3.44Å; S430-H432 VanDerWaalsContact C-N 3.27Å; S430-H432 PolarHBondContact O-N 3.38Å; H432-S434 PolarHBondContact O-N 3.45Å; H432-L435 PolarHBondContact O-N 3.12Å; H432-V436 WeakPolarHBondContact O-CG2 3.47Å; H432-V436 PolarHBondContact O-N 3.47Å
433	R	92.1	Very high	94	Very high	189 Å²	189	61.6 Å²	61.6	71%	0.713	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-17.5	178.2	66.4	-178.8	-177.6	177.1	-0.3	115.1	L429 S430 L435 V436 N446	L429-R433 PolarHBondContact O-N 2.91Å; S430-R433 PolarHBondContact O-N 2.65Å; R433-L435 VanDerWaalsContact C-N 3.3Å; R433-V436 CarbonylContact C-O 3.6Å; R433-V436 VanDerWaalsContact O-O 3.09Å; R433-N446 PolarHBondContact O-ND2 3.5Å
434	S	89.6	Confident	93.8	Very high	51 Å²	51	57 Å²	57	36%	0.357	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-28.8	171.1	50	0	0	0	0	112.4	H432 N446	H432-S434 PolarHBondContact O-N 3.45Å; S434-N446 PolarHBondContact O-ND2 2.91Å
435	L	93.4	Very high	93.5	Very high	6 Å²	6	57.9 Å²	57.9	3%	0.031	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-25.3	-176	-58.2	-177.8	0	0	0	113.4	W371 H432 R433 L445 N446 V472 Y479	W371-L435 HydrophobicContact CZ2-CB 4.21Å; W371-L435 HydrophobicContact CZ2-CD1 3.96Å; H432-L435 PolarHBondContact O-N 3.12Å; R433-L435 VanDerWaalsContact C-N 3.3Å; L435-L445 WeakPolarHBondContact O-CA 3.46Å; L435-N446 PolarHBondContact O-N 2.76Å; L435-V472 HydrophobicContact CB-CG1 4.36Å; L435-V472 HydrophobicContact CD2-CG1 4.25Å; L435-V472 WeakPolarHBondContact O-CG1 3.24Å; L435-Y479 HydrophobicContact CD1-CD2 4.25Å; L435-Y479 HydrophobicContact CD1-CE2 3.8Å
436	V	94.4	Very high	93.1	Very high	6 Å²	6	59.2 Å²	59.2	4%	0.036	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	150.5	-178.3	-74.4	0	0	0	0	113	W371 L378 L429 H432 R433 V443 Q444 L445 N446	W371-V436 HydrophobicContact CH2-CB 4.43Å; W371-V436 HydrophobicContact CH2-CG1 3.69Å; W371-V436 HydrophobicContact CH2-CG2 3.86Å; W371-V436 HydrophobicContact CZ3-CG1 4.39Å; W371-V436 HydrophobicContact CZ3-CG2 4.17Å; L378-V436 HydrophobicContact CD1-CG1 3.7Å; L429-V436 HydrophobicContact CD2-CG2 3.97Å; H432-V436 WeakPolarHBondContact O-CG2 3.47Å; H432-V436 PolarHBondContact O-N 3.47Å; R433-V436 CarbonylContact C-O 3.6Å; R433-V436 VanDerWaalsContact O-O 3.09Å; V436-V443 HydrophobicContact CB-CG1 4.25Å; V436-V443 HydrophobicContact CG1-CG1 4.19Å; V436-Q444 CarbonylContact C-O 3.54Å; V436-Q444 VanDerWaalsContact CA-O 3.29Å; V436-Q444 WeakPolarHBondContact CA-O 3.35Å; V436-L445 HydrophobicContact CG1-CD2 3.87Å; V436-N446 PolarHBondContact N-ND2 3.27Å; V436-N446 PolarHBondContact O-ND2 2.81Å
437	R	92.5	Very high	91.8	Very high	152 Å²	152	57.8 Å²	57.8	57%	0.574	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.6	139.9	168.1	-179.9	-178.9	-60.3	-171.7	0.1	109.4	V443 Q444 N446	R437-V443 WeakPolarHBondContact O-CA 3.48Å; R437-Q444 PolarHBondContact N-O 3.4Å; R437-Q444 PolarHBondContact O-N 2.99Å; R437-N446 WeakPolarHBondContact CB-OD1 3.23Å; R437-N446 PolarHBondContact N-OD1 2.85Å
438	V	92.8	Very high	90	Very high	78 Å²	78	58 Å²	58	47%	0.473	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.8	169.6	-172.3	0	0	0	0	107.8	V392 L429 R442 V443	V392-V438 HydrophobicContact CG2-CG1 4.06Å; L429-V438 HydrophobicContact CD1-CG2 4.2Å; V438-R442 CarbonylContact C-O 3.57Å; V438-R442 VanDerWaalsContact CA-O 3.28Å; V438-R442 WeakPolarHBondContact CA-O 3.31Å; V438-V443 HydrophobicContact CG2-CG2 4.26Å
439	S	89.7	Confident	87.7	Confident	64 Å²	64	61.3 Å²	61.3	45%	0.448	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	132.1	178.6	-171.5	0	0	0	0	109.2	G441 R442	S439-G441 PolarHBondContact O-N 3.28Å; S439-G441 VanDerWaalsContact O-N 3.12Å; S439-R442 PolarHBondContact N-O 3.26Å; S439-R442 WeakPolarHBondContact O-CB 3.44Å; S439-R442 PolarHBondContact O-N 3.3Å
440	E	88.6	Confident	85.1	Confident	186 Å²	186	64 Å²	64	87%	0.869	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	38.1	178.5	-57.7	179.8	174	0	0	113.5	R442	E440-R442 PolarHBondContact O-N 2.95Å
441	G	90.6	Very high	82.3	Confident	41 Å²	41	64.7 Å²	64.7	42%	0.423	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	6.7	-178	0	0	0	0	0	115.2	V392 S439	V392-G441 WeakPolarHBondContact CG2-O 3.48Å; V392-G441 PolarHBondContact N-O 2.91Å; S439-G441 PolarHBondContact O-N 3.28Å; S439-G441 VanDerWaalsContact O-N 3.12Å
442	R	93.1	Very high	79.7	Confident	84 Å²	84	67.5 Å²	67.5	32%	0.317	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	140.7	176.6	-66.1	-179.9	173.1	-83.4	-5.8	111.9	L388 G389 V390 L391 V438 S439 E440	L388-R442 VanDerWaalsContact O-CD 3.32Å; L388-R442 WeakPolarHBondContact O-CD 3.37Å; G389-R442 PolarHBondContact O-NH1 3.33Å; V390-R442 CarbonylContact O-C 3.56Å; V390-R442 VanDerWaalsContact O-CA 3.31Å; V390-R442 WeakPolarHBondContact O-CA 3.4Å; L391-R442 HydrophobicContact CD2-CG 3.69Å; L391-R442 HydrophobicContact CG-CG 4.36Å; V438-R442 CarbonylContact C-O 3.57Å; V438-R442 VanDerWaalsContact CA-O 3.28Å; V438-R442 WeakPolarHBondContact CA-O 3.31Å; S439-R442 PolarHBondContact N-O 3.26Å; S439-R442 WeakPolarHBondContact O-CB 3.44Å; S439-R442 PolarHBondContact O-N 3.3Å; E440-R442 PolarHBondContact O-N 2.95Å
443	V	94.4	Very high	76.7	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.006	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.5	176.7	-170.8	0	0	0	0	109.7	L378 G389 V390 V392 L395 L429 V436 R437 V438	L378-V443 HydrophobicContact CD1-CG1 4.39Å; L378-V443 HydrophobicContact CD2-CB 4.3Å; L378-V443 HydrophobicContact CD2-CG1 3.83Å; G389-V443 CarbonylContact C-O 3.45Å; G389-V443 VanDerWaalsContact CA-O 3.22Å; G389-V443 WeakPolarHBondContact CA-O 3.49Å; V390-V443 PolarHBondContact N-O 2.94Å; V390-V443 PolarHBondContact O-N 3.45Å; V392-V443 HydrophobicContact CG2-CG2 3.52Å; L395-V443 HydrophobicContact CD2-CB 4.2Å; L395-V443 HydrophobicContact CD2-CG1 4.32Å; L395-V443 HydrophobicContact CD2-CG2 3.92Å; L429-V443 HydrophobicContact CD1-CG2 3.88Å; L429-V443 HydrophobicContact CD2-CG1 3.64Å; L429-V443 HydrophobicContact CD2-CG2 4.3Å; V436-V443 HydrophobicContact CB-CG1 4.25Å; V436-V443 HydrophobicContact CG1-CG1 4.19Å; R437-V443 WeakPolarHBondContact O-CA 3.48Å; V438-V443 HydrophobicContact CG2-CG2 4.26Å
444	Q	92.3	Very high	73.9	Confident	80 Å²	80	71.9 Å²	71.9	37%	0.374	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	151.6	175.1	-67.1	176.3	13.6	0	0	110.3	L388 G389 V436 R437	L388-Q444 PolarHBondContact O-NE2 3.08Å; G389-Q444 VanDerWaalsContact CA-CG 3.5Å; V436-Q444 CarbonylContact C-O 3.54Å; V436-Q444 VanDerWaalsContact CA-O 3.29Å; V436-Q444 WeakPolarHBondContact CA-O 3.35Å; R437-Q444 PolarHBondContact N-O 3.4Å; R437-Q444 PolarHBondContact O-N 2.99Å
445	L	91.8	Very high	71.4	Confident	29 Å²	29	77.5 Å²	77.5	15%	0.152	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	140.9	168.3	-65.2	179.1	0	0	0	109.9	L378 L379 Q382 L435 V436 V472 V473 C476	L378-L445 HydrophobicContact CB-CD2 4.29Å; L378-L445 HydrophobicContact CD1-CD2 4.33Å; L379-L445 HydrophobicContact CD2-CD1 4.34Å; Q382-L445 VanDerWaalsContact OE1-CD1 3.31Å; L435-L445 WeakPolarHBondContact O-CA 3.46Å; V436-L445 HydrophobicContact CG1-CD2 3.87Å; L445-V472 HydrophobicContact CB-CG1 4.22Å; L445-V473 HydrophobicContact CD1-CG2 4.33Å; L445-C476 VanDerWaalsContact CD2-SG 3.54Å
446	N	88.3	Confident	69	Low	27 Å²	27	83.2 Å²	83.2	14%	0.144	48%	0.481	C	S	.	.			trans	-67.9	160.4	177.7	-79.1	-22.2	0	0	0	112.4	R433 S434 L435 V436 R437 V472	R433-N446 PolarHBondContact O-ND2 3.5Å; S434-N446 PolarHBondContact O-ND2 2.91Å; L435-N446 PolarHBondContact O-N 2.76Å; V436-N446 PolarHBondContact N-ND2 3.27Å; V436-N446 PolarHBondContact O-ND2 2.81Å; R437-N446 WeakPolarHBondContact CB-OD1 3.23Å; R437-N446 PolarHBondContact N-OD1 2.85Å; N446-V472 HydrophobicContact CB-CG1 4.48Å; N446-V472 HydrophobicContact CB-CG2 4.39Å; N446-V472 WeakPolarHBondContact O-CG2 3.28Å
447	S	69.9	Low	67	Low	42 Å²	42	88.3 Å²	88.3	29%	0.294	51%	0.508	S	S	.	.			trans	-106.9	138.5	157.2	-172.6	0	0	0	0	107.7	T449	S447-T449 PolarHBondContact O-N 3.12Å
448	E	58.6	Low	65.4	Low	64 Å²	64	85.1 Å²	85.1	30%	0.299	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-67.1	-2.2	-172.1	-117.4	-160.4	177.3	0	0	113.7	R280 G450 S468 V471 V472	R280-E448 IonicContact CZ-OE1 3.76Å; R280-E448 IonicContact CZ-OE2 2.72Å; R280-E448 IonicContact NH1-OE1 2.62Å; R280-E448 IonicContact NH2-OE1 2.81Å; R280-E448 PolarHBondContact NH2-OE1 2.9Å; R280-E448 IonicContact NH2-OE2 3.23Å; R280-E448 PolarHBondContact NH2-OE2 2.86Å; E448-G450 PolarHBondContact O-N 3.25Å; E448-S468 WeakPolarHBondContact CB-OG 3.42Å; E448-S468 PolarHBondContact N-OG 2.79Å; E448-V471 WeakPolarHBondContact OE1-CG1 3.3Å; E448-V472 HydrophobicContact CG-CG2 4.46Å
449	T	48	Very low	64.2	Low	74 Å²	74	86.3 Å²	86.3	45%	0.454	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-68.3	1.1	-177.7	47.3	0	0	0	0	115.6	S447 M460	S447-T449 PolarHBondContact O-N 3.12Å; T449-M460 HydrophobicContact CG2-SD 3.7Å
450	G	41.8	Very low	63.5	Low	65 Å²	65	86.8 Å²	86.8	67%	0.67	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-104.8	-0.3	-170.4	0	0	0	0	0	118	E448	E448-G450 PolarHBondContact O-N 3.25Å
451	S	36.5	Very low	63.4	Low	98 Å²	98	81.1 Å²	81.1	69%	0.685	51%	0.506	S	S	*	.	S	Bend	trans	-123.1	83.1	-175.7	71.6	0	0	0	0	114.3
452	G	39.4	Very low	63.3	Low	81 Å²	81	83.3 Å²	83.3	84%	0.835	51%	0.513	S	S	*	.	S	Bend	trans	103.1	22	143.5	0	0	0	0	0	119.6
453	S	33.8	Very low	63.2	Low	81 Å²	81	84.3 Å²	84.3	57%	0.566	52%	0.521	S	S	*	.			trans	-101.2	107.2	165	58.7	0	0	0	0	110.7	F455	S453-F455 PolarHBondContact O-N 3.4Å
454	E	32.9	Very low	62.8	Low	199 Å²	199	88.9 Å²	88.9	93%	0.93	54%	0.543	S	S	*	.			trans	-70.1	17.3	172.4	-78.4	-178.7	157.3	0	0	114
455	F	37.6	Very low	62.7	Low	170 Å²	170	90.7 Å²	90.7	75%	0.746	55%	0.551	S	S	*	*	S	Bend	trans	-103.5	140.2	178.3	-72.6	-79.3	0	0	0	110.8	S453 L457	S453-F455 PolarHBondContact O-N 3.4Å; F455-L457 PolarHBondContact O-N 3.4Å
456	P	41.9	Very low	62.7	Low	125 Å²	125	90.2 Å²	90.2	81%	0.812	55%	0.548	S	S	*	.			trans	-57.2	115.8	172.9	-15	27	0	0	0	108.6	A458	P456-A458 PolarHBondContact O-N 2.89Å; P456-A458 VanDerWaalsContact O-N 3.13Å
457	L	53.2	Low	62.8	Low	114 Å²	114	91.6 Å²	91.6	60%	0.597	56%	0.555	S	S	*	*			trans	-60.9	115.3	179	-78.2	148.3	0	0	0	108.6	F455 M460	F455-L457 PolarHBondContact O-N 3.4Å; L457-M460 HydrophobicContact CD2-CG 4.5Å; L457-M460 HydrophobicContact CD2-SD 4.37Å
458	A	58.2	Low	63.7	Low	85 Å²	85	90.3 Å²	90.3	70%	0.702	55%	0.546	S	S	*	.			trans	-51.9	142.3	154.2	0	0	0	0	0	107.9	P456 M460	P456-A458 PolarHBondContact O-N 2.89Å; P456-A458 VanDerWaalsContact O-N 3.13Å; A458-M460 PolarHBondContact O-N 2.84Å
459	A	67.7	Low	65.2	Low	103 Å²	103	91.2 Å²	91.2	85%	0.851	55%	0.549	S	S	*	.			trans	-54.8	111.4	179.4	0	0	0	0	0	109.3
460	M	74.6	Confident	67.4	Low	74 Å²	74	87.7 Å²	87.7	37%	0.365	53%	0.528	S	S	.	.			trans	-62.1	140.9	178	-69.2	-176.6	73.3	0	0	109.1	T449 L457 A458 E464	T449-M460 HydrophobicContact CG2-SD 3.7Å; L457-M460 HydrophobicContact CD2-CG 4.5Å; L457-M460 HydrophobicContact CD2-SD 4.37Å; A458-M460 PolarHBondContact O-N 2.84Å; M460-E464 HydrophobicContact CB-CB 4.41Å; M460-E464 HydrophobicContact CE-CB 3.7Å
461	T	87.6	Confident	69.9	Low	66 Å²	66	84.9 Å²	84.9	41%	0.405	50%	0.498	S	S	.	.			trans	-67.7	154.9	172.6	62	0	0	0	0	110.5	E463 E464 E465	T461-E463 PolarHBondContact O-N 2.7Å; T461-E463 VanDerWaalsContact O-N 3.17Å; T461-E464 PolarHBondContact N-OE2 3.5Å; T461-E464 PolarHBondContact O-N 3.21Å; T461-E464 VanDerWaalsContact O-N 3.08Å; T461-E464 WeakPolarHBondContact OG1-CG 3.28Å; T461-E464 PolarHBondContact OG1-N 3.28Å; T461-E464 PolarHBondContact OG1-OE2 3.16Å; T461-E465 PolarHBondContact O-N 3.44Å
462	P	88.3	Confident	72.7	Confident	87 Å²	87	80.4 Å²	80.4	57%	0.565	47%	0.466	S	S	*	.	H	α-helix	trans	-56.5	-31.5	176.2	-26.5	34.9	0	0	0	113.7	L466 L611	P462-L466 WeakPolarHBondContact O-CB 3.29Å; P462-L466 PolarHBondContact O-N 2.84Å; P462-L611 HydrophobicContact CB-CD1 4.47Å; P462-L611 HydrophobicContact CB-CD2 3.98Å
463	E	89.8	Confident	75.3	Confident	106 Å²	106	76.6 Å²	76.6	50%	0.495	43%	0.427	S	S	.	.	H	α-helix	trans	-67.7	-44.3	175.3	-68.2	-172.7	-178.6	0	0	112.1	T461 E465 L466 L467 I607 L611	T461-E463 PolarHBondContact O-N 2.7Å; T461-E463 VanDerWaalsContact O-N 3.17Å; E463-E465 VanDerWaalsContact C-N 3.35Å; E463-L466 PolarHBondContact O-N 2.66Å; E463-L467 WeakPolarHBondContact O-CG 3.21Å; E463-L467 PolarHBondContact O-N 3.05Å; E463-I607 HydrophobicContact CG-CG2 3.8Å; E463-L611 HydrophobicContact CG-CD1 3.73Å
464	E	87.8	Confident	78.4	Confident	97 Å²	97	73 Å²	73	45%	0.453	40%	0.401	S	S	.	.	H	α-helix	trans	-65.5	-38.5	177.8	-70.7	164.7	149.5	0	0	111.7	M460 T461 L467 S468	M460-E464 HydrophobicContact CB-CB 4.41Å; M460-E464 HydrophobicContact CE-CB 3.7Å; T461-E464 PolarHBondContact N-OE2 3.5Å; T461-E464 PolarHBondContact O-N 3.21Å; T461-E464 VanDerWaalsContact O-N 3.08Å; T461-E464 WeakPolarHBondContact OG1-CG 3.28Å; T461-E464 PolarHBondContact OG1-N 3.28Å; T461-E464 PolarHBondContact OG1-OE2 3.16Å; E464-L467 PolarHBondContact O-N 3.16Å; E464-S468 WeakPolarHBondContact O-CB 3.46Å; E464-S468 PolarHBondContact O-N 2.86Å
465	E	88.8	Confident	81.4	Confident	117 Å²	117	63.8 Å²	63.8	55%	0.547	36%	0.358	S	S	.	.	H	α-helix	trans	-63.4	-44.4	173.5	-171.1	-177.9	175.9	0	0	111.4	T461 E463 L467 S468 K469	T461-E465 PolarHBondContact O-N 3.44Å; E463-E465 VanDerWaalsContact C-N 3.35Å; E465-L467 PolarHBondContact O-N 2.86Å; E465-S468 WeakPolarHBondContact O-CB 3.33Å; E465-S468 PolarHBondContact O-N 3.44Å; E465-K469 WeakPolarHBondContact O-CB 3.47Å; E465-K469 PolarHBondContact O-N 3.39Å
466	L	91.3	Very high	84.2	Confident	19 Å²	19	55.7 Å²	55.7	10%	0.099	32%	0.323	C	S	.	.	H	α-helix	trans	-60.3	-45.2	175.8	176.1	63.8	0	0	0	111.6	P462 E463 K469 A470 I607 L610 L611 V618 L621	P462-L466 WeakPolarHBondContact O-CB 3.29Å; P462-L466 PolarHBondContact O-N 2.84Å; E463-L466 PolarHBondContact O-N 2.66Å; L466-K469 PolarHBondContact O-N 3.04Å; L466-A470 WeakPolarHBondContact O-CB 3.4Å; L466-A470 PolarHBondContact O-N 3.25Å; L466-I607 HydrophobicContact CD2-CB 4.45Å; L466-I607 HydrophobicContact CD2-CG1 4.26Å; L466-I607 HydrophobicContact CD2-CG2 4.18Å; L466-L610 HydrophobicContact CD1-CB 4.47Å; L466-L610 HydrophobicContact CD1-CD1 4.46Å; L466-L610 HydrophobicContact CD2-CB 3.86Å; L466-L610 HydrophobicContact CD2-CD1 4.09Å; L466-L611 HydrophobicContact CB-CD2 4.41Å; L466-L611 HydrophobicContact CD2-CD2 4.22Å; L466-L611 HydrophobicContact CD2-CG 4.25Å; L466-V618 HydrophobicContact CD1-CG1 4.28Å; L466-V618 HydrophobicContact CD1-CG2 4.15Å; L466-L621 HydrophobicContact CD2-CD1 4.5Å; L466-L621 HydrophobicContact CG-CD1 4.4Å
467	L	90.9	Very high	86.9	Confident	56 Å²	56	50 Å²	50	29%	0.293	29%	0.286	S	S	.	.	H	α-helix	trans	-66.5	-39.1	179.2	-71.4	174.4	0	0	0	111.9	L283 E463 E464 E465 A470 V471 I607 L621	L283-L467 HydrophobicContact CD1-CD2 4.48Å; L283-L467 HydrophobicContact CD2-CD2 4.19Å; E463-L467 WeakPolarHBondContact O-CG 3.21Å; E463-L467 PolarHBondContact O-N 3.05Å; E464-L467 PolarHBondContact O-N 3.16Å; E465-L467 PolarHBondContact O-N 2.86Å; L467-A470 WeakPolarHBondContact O-CB 3.46Å; L467-A470 PolarHBondContact O-N 3.35Å; L467-V471 PolarHBondContact O-N 2.87Å; L467-V471 VanDerWaalsContact O-N 3.17Å; L467-I607 HydrophobicContact CD2-CD1 4.29Å; L467-L621 HydrophobicContact CD2-CD1 4.5Å
468	S	88.5	Confident	89	Confident	15 Å²	15	45.2 Å²	45.2	11%	0.105	26%	0.263	C	S	.	.	H	α-helix	trans	-59	-47.5	172.9	-177.6	0	0	0	0	111.4	E448 E464 E465 A470 V471	E448-S468 WeakPolarHBondContact CB-OG 3.42Å; E448-S468 PolarHBondContact N-OG 2.79Å; E464-S468 WeakPolarHBondContact O-CB 3.46Å; E464-S468 PolarHBondContact O-N 2.86Å; E465-S468 WeakPolarHBondContact O-CB 3.33Å; E465-S468 PolarHBondContact O-N 3.44Å; S468-A470 VanDerWaalsContact C-N 3.32Å; S468-A470 PolarHBondContact O-N 3.06Å; S468-V471 PolarHBondContact O-N 3.36Å
469	K	90.9	Very high	90.9	Very high	83 Å²	83	41.4 Å²	41.4	36%	0.361	23%	0.23	S	C	.	.	H	α-helix	trans	-61.9	-39.1	173.4	-178.2	-178.9	177.4	-175.6	0	112.2	E465 L466 V471 V472 V473	E465-K469 WeakPolarHBondContact O-CB 3.47Å; E465-K469 PolarHBondContact O-N 3.39Å; L466-K469 PolarHBondContact O-N 3.04Å; K469-V471 VanDerWaalsContact C-N 3.25Å; K469-V471 PolarHBondContact O-N 3Å; K469-V472 PolarHBondContact O-N 2.9Å; K469-V473 HydrophobicContact CG-CG2 4.24Å; K469-V473 WeakPolarHBondContact O-CG2 3.34Å; K469-V473 PolarHBondContact O-N 3.01Å
470	A	94.1	Very high	92.3	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62	-32.2	-179.7	0	0	0	0	0	112.4	L283 L466 L467 S468 V472 V473 L474 V618 L621	L283-A470 HydrophobicContact CD1-CB 4.04Å; L283-A470 HydrophobicContact CD2-CB 3.9Å; L466-A470 WeakPolarHBondContact O-CB 3.4Å; L466-A470 PolarHBondContact O-N 3.25Å; L467-A470 WeakPolarHBondContact O-CB 3.46Å; L467-A470 PolarHBondContact O-N 3.35Å; S468-A470 VanDerWaalsContact C-N 3.32Å; S468-A470 PolarHBondContact O-N 3.06Å; A470-V472 PolarHBondContact O-N 2.91Å; A470-V473 PolarHBondContact O-N 2.91Å; A470-L474 VanDerWaalsContact O-CB 3.23Å; A470-L474 WeakPolarHBondContact O-CB 3.49Å; A470-L474 WeakPolarHBondContact O-CG 3.4Å; A470-L474 PolarHBondContact O-N 3.24Å; A470-V618 HydrophobicContact CB-CG1 3.48Å; A470-V618 VanDerWaalsContact CB-CG1 3.48Å; A470-L621 HydrophobicContact CB-CD1 3.95Å
471	V	94.4	Very high	93.4	Very high	7 Å²	7	34 Å²	34	4%	0.042	18%	0.177	C	C	.	.	H	α-helix	trans	-59.7	-47	174.5	175.7	0	0	0	0	111.2	A279 R280 L283 E448 L467 S468 K469 S475	A279-V471 HydrophobicContact CB-CB 4.5Å; A279-V471 HydrophobicContact CB-CG1 3.9Å; A279-V471 WeakPolarHBondContact CB-O 3.38Å; R280-V471 HydrophobicContact CG-CG2 3.99Å; L283-V471 HydrophobicContact CD1-CG2 3.68Å; E448-V471 WeakPolarHBondContact OE1-CG1 3.3Å; L467-V471 PolarHBondContact O-N 2.87Å; L467-V471 VanDerWaalsContact O-N 3.17Å; S468-V471 PolarHBondContact O-N 3.36Å; K469-V471 VanDerWaalsContact C-N 3.25Å; K469-V471 PolarHBondContact O-N 3Å; V471-S475 WeakPolarHBondContact O-CB 3.35Å; V471-S475 PolarHBondContact O-N 3.28Å; V471-S475 PolarHBondContact O-OG 3.42Å
472	V	94.6	Very high	93.8	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.024	16%	0.163	C	C	.	.	H	α-helix	trans	-67.4	-44.3	179.4	177.7	0	0	0	0	111.1	L435 L445 N446 E448 K469 A470 S475 C476	L435-V472 HydrophobicContact CB-CG1 4.36Å; L435-V472 HydrophobicContact CD2-CG1 4.25Å; L435-V472 WeakPolarHBondContact O-CG1 3.24Å; L445-V472 HydrophobicContact CB-CG1 4.22Å; N446-V472 HydrophobicContact CB-CG1 4.48Å; N446-V472 HydrophobicContact CB-CG2 4.39Å; N446-V472 WeakPolarHBondContact O-CG2 3.28Å; E448-V472 HydrophobicContact CG-CG2 4.46Å; K469-V472 PolarHBondContact O-N 2.9Å; A470-V472 PolarHBondContact O-N 2.91Å; V472-S475 WeakPolarHBondContact O-CB 3.26Å; V472-S475 PolarHBondContact O-N 3.32Å; V472-C476 PolarHBondContact O-N 2.85Å; V472-C476 PolarHBondContact O-SG 3.44Å
473	V	95.6	Very high	94.2	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-63	-46.8	179.2	171.9	0	0	0	0	111.2	L379 L445 K469 A470 S475 C476 A477 V618 E619	L379-V473 HydrophobicContact CD2-CG1 3.84Å; L445-V473 HydrophobicContact CD1-CG2 4.33Å; K469-V473 HydrophobicContact CG-CG2 4.24Å; K469-V473 WeakPolarHBondContact O-CG2 3.34Å; K469-V473 PolarHBondContact O-N 3.01Å; A470-V473 PolarHBondContact O-N 2.91Å; V473-S475 VanDerWaalsContact C-N 3.32Å; V473-S475 PolarHBondContact O-N 3.05Å; V473-C476 PolarHBondContact O-N 3.47Å; V473-A477 WeakPolarHBondContact O-CB 3.5Å; V473-A477 PolarHBondContact O-N 3.16Å; V473-V618 HydrophobicContact CB-CB 4.47Å; V473-V618 HydrophobicContact CB-CG1 4.49Å; V473-V618 HydrophobicContact CG1-CB 4.12Å; V473-E619 HydrophobicContact CG1-CG 3.83Å
474	L	97	Very high	94.6	Very high	6 Å²	6	22.9 Å²	22.9	3%	0.031	11%	0.113	C	C	.	.	H	α-helix	trans	-66.8	-33.7	178.2	-69.5	175	0	0	0	112.1	A279 L282 L283 A470 A477 S478	A279-L474 HydrophobicContact CB-CB 4.16Å; L282-L474 HydrophobicContact CB-CD1 4.1Å; L283-L474 HydrophobicContact CD1-CD1 4.42Å; L283-L474 HydrophobicContact CD2-CD1 3.61Å; L283-L474 HydrophobicContact CG-CD1 3.76Å; A470-L474 VanDerWaalsContact O-CB 3.23Å; A470-L474 WeakPolarHBondContact O-CB 3.49Å; A470-L474 WeakPolarHBondContact O-CG 3.4Å; A470-L474 PolarHBondContact O-N 3.24Å; L474-A477 PolarHBondContact O-N 3.26Å; L474-S478 PolarHBondContact O-N 3.41Å
475	S	96.6	Very high	94.9	Very high	4 Å²	4	19.8 Å²	19.8	3%	0.028	10%	0.098	C	C	.	.	H	α-helix	trans	-62.6	-48.6	172	-59.1	0	0	0	0	110.8	A279 V471 V472 V473 A477 S478 Y479	A279-S475 WeakPolarHBondContact CB-OG 3.49Å; V471-S475 WeakPolarHBondContact O-CB 3.35Å; V471-S475 PolarHBondContact O-N 3.28Å; V471-S475 PolarHBondContact O-OG 3.42Å; V472-S475 WeakPolarHBondContact O-CB 3.26Å; V472-S475 PolarHBondContact O-N 3.32Å; V473-S475 VanDerWaalsContact C-N 3.32Å; V473-S475 PolarHBondContact O-N 3.05Å; S475-A477 VanDerWaalsContact C-N 3.33Å; S475-A477 PolarHBondContact O-N 2.83Å; S475-S478 WeakPolarHBondContact O-CB 3.42Å; S475-S478 PolarHBondContact O-N 3.1Å; S475-S478 PolarHBondContact O-OG 3.12Å; S475-Y479 WeakPolarHBondContact O-CD2 3.5Å; S475-Y479 PolarHBondContact O-N 3.43Å
476	C	96.9	Very high	95.3	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.3	-39.9	174.7	-65.7	0	0	0	0	112.2	A375 L379 L445 V472 V473 S478 Y479 R480	A375-C476 HydrophobicContact CB-CB 4.46Å; L379-C476 HydrophobicContact CD1-CB 4.24Å; L379-C476 HydrophobicContact CD2-CB 4.06Å; L379-C476 HydrophobicContact CG-CB 4.19Å; L445-C476 VanDerWaalsContact CD2-SG 3.54Å; V472-C476 PolarHBondContact O-N 2.85Å; V472-C476 PolarHBondContact O-SG 3.44Å; V473-C476 PolarHBondContact O-N 3.47Å; C476-S478 VanDerWaalsContact C-N 3.26Å; C476-S478 PolarHBondContact O-N 3.26Å; C476-Y479 PolarHBondContact O-N 3.5Å; C476-Y479 VanDerWaalsContact O-N 3.09Å; C476-R480 PolarHBondContact O-N 3.41Å
477	A	97.6	Very high	95.6	Very high	5 Å²	5	14 Å²	14	4%	0.041	7%	0.072	C	C	.	.	H	α-helix	trans	-61	-37.4	177.4	0	0	0	0	0	111	L379 V473 L474 S475 Y479 R480 N481 E619	L379-A477 HydrophobicContact CD1-CB 4.17Å; V473-A477 WeakPolarHBondContact O-CB 3.5Å; V473-A477 PolarHBondContact O-N 3.16Å; L474-A477 PolarHBondContact O-N 3.26Å; S475-A477 VanDerWaalsContact C-N 3.33Å; S475-A477 PolarHBondContact O-N 2.83Å; A477-Y479 VanDerWaalsContact C-N 3.31Å; A477-Y479 PolarHBondContact O-N 3.44Å; A477-R480 PolarHBondContact O-N 3.49Å; A477-N481 VanDerWaalsContact O-CB 3.29Å; A477-N481 WeakPolarHBondContact O-CB 3.33Å; A477-N481 PolarHBondContact O-N 2.92Å; A477-N481 PolarHBondContact O-ND2 2.76Å; A477-N481 PolarHBondContact O-OD1 3.19Å; A477-E619 HydrophobicContact CB-CG 3.94Å
478	S	97.3	Very high	95.8	Very high	15 Å²	15	11.7 Å²	11.7	11%	0.105	6%	0.06	C	C	.	.	H	α-helix	trans	-61	-37.6	174.8	82.2	0	0	0	0	112.7	A235 L474 S475 C476 N481	A235-S478 VanDerWaalsContact CB-O 3.25Å; A235-S478 WeakPolarHBondContact CB-O 3.39Å; L474-S478 PolarHBondContact O-N 3.41Å; S475-S478 WeakPolarHBondContact O-CB 3.42Å; S475-S478 PolarHBondContact O-N 3.1Å; S475-S478 PolarHBondContact O-OG 3.12Å; C476-S478 VanDerWaalsContact C-N 3.26Å; C476-S478 PolarHBondContact O-N 3.26Å; S478-N481 PolarHBondContact O-N 3.32Å
479	Y	97.7	Very high	96.2	Very high	5 Å²	5	12 Å²	12	2%	0.02	6%	0.059	C	C	.	.	H	α-helix	trans	-69.5	-49.5	173.9	-69.4	-72.9	0	0	0	111.8	E270 R271 E275 W371 V372 L435 S475 C476 A477 N481 Q482	E270-Y479 VanDerWaalsContact O-CE1 3.31Å; E270-Y479 WeakPolarHBondContact O-CE1 3.08Å; R271-Y479 WeakPolarHBondContact CA-OH 3.29Å; R271-Y479 WeakPolarHBondContact CG-OH 3.5Å; E275-Y479 HydrophobicContact CG-CE2 4.45Å; E275-Y479 WeakPolarHBondContact OE2-CE2 3.5Å; E275-Y479 VanDerWaalsContact OE2-CZ 3.25Å; E275-Y479 PolarHBondContact OE2-OH 2.67Å; W371-Y479 AromaticContact CD1-CD1 3.49Å; W371-Y479 VanDerWaalsContact CD1-CD1 3.49Å; W371-Y479 AromaticContact CD1-CD2 3.76Å; W371-Y479 AromaticContact CD1-CE1 3.87Å; W371-Y479 AromaticContact CD1-CG 3.43Å; W371-Y479 VanDerWaalsContact CD1-CG 3.43Å; W371-Y479 AromaticContact NE1-CD1 3.83Å; W371-Y479 AromaticContact NE1-CD2 3.17Å; W371-Y479 AromaticContact NE1-CE2 3.53Å; W371-Y479 AromaticContact NE1-CG 3.35Å; W371-Y479 VanDerWaalsContact NE1-CG 3.35Å; V372-Y479 VanDerWaalsContact CG1-O 3.31Å; V372-Y479 WeakPolarHBondContact CG1-O 3.3Å; L435-Y479 HydrophobicContact CD1-CD2 4.25Å; L435-Y479 HydrophobicContact CD1-CE2 3.8Å; S475-Y479 WeakPolarHBondContact O-CD2 3.5Å; S475-Y479 PolarHBondContact O-N 3.43Å; C476-Y479 PolarHBondContact O-N 3.5Å; C476-Y479 VanDerWaalsContact O-N 3.09Å; A477-Y479 VanDerWaalsContact C-N 3.31Å; A477-Y479 PolarHBondContact O-N 3.44Å; Y479-N481 PolarHBondContact O-N 2.72Å; Y479-Q482 VanDerWaalsContact O-CB 3.31Å; Y479-Q482 WeakPolarHBondContact O-CB 3.42Å; Y479-Q482 PolarHBondContact O-N 2.81Å
480	R	97.6	Very high	96.6	Very high	11 Å²	11	8 Å²	8	4%	0.042	4%	0.041	C	C	.	.	H	α-helix	trans	-52.6	-40.9	174.2	177.1	-79.9	-57.1	-113.9	-3.6	111.1	A376 L379 C476 A477 Q482 V483 I570	A376-R480 HydrophobicContact CB-CB 4.2Å; A376-R480 HydrophobicContact CB-CG 3.63Å; L379-R480 HydrophobicContact CD1-CB 3.96Å; L379-R480 HydrophobicContact CD1-CG 4.43Å; C476-R480 PolarHBondContact O-N 3.41Å; A477-R480 PolarHBondContact O-N 3.49Å; R480-Q482 PolarHBondContact O-N 2.89Å; R480-Q482 VanDerWaalsContact O-N 3.12Å; R480-V483 WeakPolarHBondContact O-CG1 3.32Å; R480-V483 PolarHBondContact O-N 2.77Å; R480-I570 HydrophobicContact CG-CG1 4.5Å; R480-I570 PolarHBondContact NH1-O 3.48Å
481	N	97.4	Very high	96.8	Very high	11 Å²	11	8 Å²	8	6%	0.059	4%	0.041	C	C	.	.	H	α-helix	trans	-59.9	-25.1	-177.1	-74.1	-3.5	0	0	0	113.3	T234 K236 A477 S478 Y479 V483 L484	T234-N481 WeakPolarHBondContact O-CB 3.47Å; T234-N481 PolarHBondContact O-ND2 3.34Å; K236-N481 HydrophobicContact CG-CB 3.73Å; A477-N481 VanDerWaalsContact O-CB 3.29Å; A477-N481 WeakPolarHBondContact O-CB 3.33Å; A477-N481 PolarHBondContact O-N 2.92Å; A477-N481 PolarHBondContact O-ND2 2.76Å; A477-N481 PolarHBondContact O-OD1 3.19Å; S478-N481 PolarHBondContact O-N 3.32Å; Y479-N481 PolarHBondContact O-N 2.72Å; N481-V483 VanDerWaalsContact C-N 3.27Å; N481-V483 PolarHBondContact O-N 3.15Å; N481-L484 HydrophobicContact CB-CD1 4.04Å; N481-L484 WeakPolarHBondContact O-CB 3.24Å; N481-L484 PolarHBondContact O-N 2.94Å; N481-L484 WeakPolarHBondContact OD1-CD1 3.36Å
482	Q	96.9	Very high	96.9	Very high	21 Å²	21	7.7 Å²	7.7	10%	0.098	4%	0.04	C	C	.	.	H	α-helix	trans	-62.2	-33	175.8	-61.1	-179.7	35.7	0	0	112.2	A235 M366 L368 V372 Y479 R480 H485	A235-Q482 HydrophobicContact CB-CG 3.98Å; M366-Q482 HydrophobicContact SD-CB 4.01Å; L368-Q482 HydrophobicContact CD2-CB 3.97Å; V372-Q482 HydrophobicContact CG1-CB 4.21Å; V372-Q482 HydrophobicContact CG2-CB 4.13Å; Y479-Q482 VanDerWaalsContact O-CB 3.31Å; Y479-Q482 WeakPolarHBondContact O-CB 3.42Å; Y479-Q482 PolarHBondContact O-N 2.81Å; R480-Q482 PolarHBondContact O-N 2.89Å; R480-Q482 VanDerWaalsContact O-N 3.12Å; Q482-H485 PolarHBondContact O-CE1 2.99Å; Q482-H485 PolarHBondContact O-ND1 2.96Å
483	V	97	Very high	97.1	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-87.2	-5.8	178.4	70.8	0	0	0	0	113.6	L368 V372 L373 R480 N481 H485 V486 F487	L368-V483 HydrophobicContact CD1-CB 3.87Å; L368-V483 HydrophobicContact CD1-CG2 3.52Å; V372-V483 HydrophobicContact CG1-CB 3.58Å; V372-V483 HydrophobicContact CG1-CG1 3.78Å; L373-V483 HydrophobicContact CD2-CG2 4.24Å; R480-V483 WeakPolarHBondContact O-CG1 3.32Å; R480-V483 PolarHBondContact O-N 2.77Å; N481-V483 VanDerWaalsContact C-N 3.27Å; N481-V483 PolarHBondContact O-N 3.15Å; V483-H485 VanDerWaalsContact C-N 3.27Å; V483-H485 PolarHBondContact O-N 3.36Å; V483-V486 HydrophobicContact CG2-CB 4.1Å; V483-V486 HydrophobicContact CG2-CG2 4.04Å; V483-V486 WeakPolarHBondContact O-CB 3.42Å; V483-V486 PolarHBondContact O-N 2.84Å; V483-F487 HydrophobicContact CB-CD2 4.46Å; V483-F487 HydrophobicContact CB-CE2 4.38Å; V483-F487 HydrophobicContact CG1-CD2 4.18Å; V483-F487 HydrophobicContact CG1-CE2 4.14Å; V483-F487 HydrophobicContact CG2-CD2 3.67Å; V483-F487 HydrophobicContact CG2-CE2 3.36Å; V483-F487 HydrophobicContact CG2-CZ 4.43Å
484	L	96.9	Very high	97.1	Very high	4 Å²	4	7.5 Å²	7.5	2%	0.021	4%	0.038	C	C	.	.	H	α-helix	trans	-60.5	-35.7	-176.7	-71.6	175.2	0	0	0	112.7	N481 V486 F487 I488 F523 I570 F574	N481-L484 HydrophobicContact CB-CD1 4.04Å; N481-L484 WeakPolarHBondContact O-CB 3.24Å; N481-L484 PolarHBondContact O-N 2.94Å; N481-L484 WeakPolarHBondContact OD1-CD1 3.36Å; L484-V486 PolarHBondContact O-N 3.18Å; L484-V486 VanDerWaalsContact O-N 3.16Å; L484-F487 PolarHBondContact O-N 3.18Å; L484-I488 WeakPolarHBondContact O-CA 3.3Å; L484-I488 VanDerWaalsContact O-CB 3.23Å; L484-I488 WeakPolarHBondContact O-CB 3.24Å; L484-I488 PolarHBondContact O-N 3.17Å; L484-F523 HydrophobicContact CD1-CE1 3.8Å; L484-I570 HydrophobicContact CD2-CD1 3.73Å; L484-I570 HydrophobicContact CD2-CG1 3.77Å; L484-I570 HydrophobicContact CD2-CG2 4.32Å; L484-F574 HydrophobicContact CD1-CE2 3.97Å; L484-F574 HydrophobicContact CD1-CZ 3.77Å
485	H	94.7	Very high	97.1	Very high	31 Å²	31	7.6 Å²	7.6	14%	0.144	4%	0.039	C	C	.	.	H	α-helix	trans	-60	-27.1	178.5	72.5	-87.7	0	0	0	113.1	E363 Q482 V483	E363-H485 HydrophobicContact CB-CB 4.07Å; E363-H485 HydrophobicContact CG-CB 4.18Å; E363-H485 PolarHBondContact O-NE2 3.27Å; E363-H485 VanDerWaalsContact O-NE2 3.14Å; Q482-H485 PolarHBondContact O-CE1 2.99Å; Q482-H485 PolarHBondContact O-ND1 2.96Å; V483-H485 VanDerWaalsContact C-N 3.27Å; V483-H485 PolarHBondContact O-N 3.36Å
486	V	96.6	Very high	97	Very high	16 Å²	16	7.4 Å²	7.4	10%	0.097	4%	0.038	C	C	.	.	H	α-helix	trans	-72.6	-43.6	175.2	-179.9	0	0	0	0	110.8	L368 F409 A411 V483 L484	L368-V486 HydrophobicContact CD1-CG2 3.98Å; F409-V486 HydrophobicContact CB-CG1 3.62Å; A411-V486 HydrophobicContact CB-CG1 4.03Å; A411-V486 HydrophobicContact CB-CG2 3.86Å; V483-V486 HydrophobicContact CG2-CB 4.1Å; V483-V486 HydrophobicContact CG2-CG2 4.04Å; V483-V486 WeakPolarHBondContact O-CB 3.42Å; V483-V486 PolarHBondContact O-N 2.84Å; L484-V486 PolarHBondContact O-N 3.18Å; L484-V486 VanDerWaalsContact O-N 3.16Å
487	F	97.5	Very high	96.9	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-97.2	-16.8	-169.9	-66.5	-67.2	0	0	0	114.2	L402 L405 S406 F409 V483 L484 R489 A490 A491 F566 L567 I570	L402-F487 HydrophobicContact CD1-CE1 4.46Å; L402-F487 HydrophobicContact CD1-CE2 4.12Å; L402-F487 HydrophobicContact CD1-CZ 3.59Å; L405-F487 HydrophobicContact CD2-CE1 3.99Å; L405-F487 HydrophobicContact CG-CE1 4.08Å; S406-F487 VanDerWaalsContact OG-CZ 3.22Å; S406-F487 WeakPolarHBondContact OG-CZ 3.49Å; F409-F487 AromaticContact CD1-CD1 3.42Å; F409-F487 HydrophobicContact CD1-CD1 3.42Å; F409-F487 VanDerWaalsContact CD1-CD1 3.42Å; F409-F487 AromaticContact CD1-CE1 3.24Å; F409-F487 HydrophobicContact CD1-CE1 3.24Å; F409-F487 HydrophobicContact CD1-CZ 4.38Å; F409-F487 AromaticContact CE1-CD1 3.59Å; F409-F487 HydrophobicContact CE1-CD1 3.59Å; F409-F487 AromaticContact CE1-CE1 3.5Å; F409-F487 HydrophobicContact CE1-CE1 3.5Å; F409-F487 VanDerWaalsContact CE1-CE1 3.5Å; F409-F487 HydrophobicContact CG-CE1 4.49Å; V483-F487 HydrophobicContact CB-CD2 4.46Å; V483-F487 HydrophobicContact CB-CE2 4.38Å; V483-F487 HydrophobicContact CG1-CD2 4.18Å; V483-F487 HydrophobicContact CG1-CE2 4.14Å; V483-F487 HydrophobicContact CG2-CD2 3.67Å; V483-F487 HydrophobicContact CG2-CE2 3.36Å; V483-F487 HydrophobicContact CG2-CZ 4.43Å; L484-F487 PolarHBondContact O-N 3.18Å; F487-R489 PolarHBondContact O-N 2.72Å; F487-A490 CarbonylContact O-C 3.55Å; F487-A490 PolarHBondContact O-N 3.22Å; F487-A490 VanDerWaalsContact O-N 3.1Å; F487-A491 VanDerWaalsContact O-CB 3.3Å; F487-A491 WeakPolarHBondContact O-CB 3.26Å; F487-A491 PolarHBondContact O-N 3.33Å; F487-F566 HydrophobicContact CD1-CE1 4.22Å; F487-F566 HydrophobicContact CD2-CE1 4.23Å; F487-F566 AromaticContact CE1-CE1 3.93Å; F487-F566 HydrophobicContact CE1-CE1 3.93Å; F487-F566 AromaticContact CE2-CE1 3.99Å; F487-F566 HydrophobicContact CE2-CE1 3.99Å; F487-F566 HydrophobicContact CE2-CZ 4.15Å; F487-F566 HydrophobicContact CG-CE1 4.34Å; F487-F566 AromaticContact CZ-CE1 3.85Å; F487-F566 HydrophobicContact CZ-CE1 3.85Å; F487-F566 HydrophobicContact CZ-CZ 4.29Å; F487-L567 HydrophobicContact CB-CD2 3.96Å; F487-L567 HydrophobicContact CD1-CD2 3.67Å; F487-L567 HydrophobicContact CE1-CD2 4.5Å; F487-L567 HydrophobicContact CG-CD2 4.15Å; F487-I570 HydrophobicContact CD2-CD1 4.15Å
488	I	97.1	Very high	96.5	Very high	6 Å²	6	14.6 Å²	14.6	3%	0.031	7%	0.072	C	C	.	.	H	α-helix	trans	-57.1	-43.6	-163.1	-176.1	57.4	0	0	0	113.5	L484 A491 L492 F523 L525 L571	L484-I488 WeakPolarHBondContact O-CA 3.3Å; L484-I488 VanDerWaalsContact O-CB 3.23Å; L484-I488 WeakPolarHBondContact O-CB 3.24Å; L484-I488 PolarHBondContact O-N 3.17Å; I488-A491 PolarHBondContact O-N 3.48Å; I488-L492 HydrophobicContact CD1-CD1 4.25Å; I488-L492 HydrophobicContact CD1-CG 4.06Å; I488-L492 HydrophobicContact CG1-CD1 4.11Å; I488-L492 HydrophobicContact CG1-CG 4.4Å; I488-L492 WeakPolarHBondContact O-CB 3.47Å; I488-L492 VanDerWaalsContact O-CG 3.24Å; I488-L492 WeakPolarHBondContact O-CG 3.23Å; I488-L492 PolarHBondContact O-N 3.02Å; I488-F523 HydrophobicContact CD1-CB 4.38Å; I488-F523 HydrophobicContact CD1-CD1 4.14Å; I488-F523 HydrophobicContact CD1-CD2 3.24Å; I488-F523 HydrophobicContact CD1-CE1 4.28Å; I488-F523 HydrophobicContact CD1-CE2 3.39Å; I488-F523 HydrophobicContact CD1-CG 3.64Å; I488-F523 HydrophobicContact CD1-CZ 3.92Å; I488-F523 HydrophobicContact CG1-CB 4.04Å; I488-F523 HydrophobicContact CG1-CD1 4.46Å; I488-F523 HydrophobicContact CG1-CD2 3.83Å; I488-F523 HydrophobicContact CG1-CE2 4.44Å; I488-F523 HydrophobicContact CG1-CG 3.83Å; I488-L525 HydrophobicContact CG2-CD2 4.27Å; I488-L571 HydrophobicContact CD1-CD1 4.31Å; I488-L571 HydrophobicContact CD1-CD2 3.72Å
489	R	96.9	Very high	96.1	Very high	21 Å²	21	15.9 Å²	15.9	8%	0.079	8%	0.081	C	C	.	.	H	α-helix	trans	-63.5	-49.3	178.7	-66.4	177.1	176.9	73.3	14.1	111.2	F487 A491 L492 L493 D533 E536 A537	F487-R489 PolarHBondContact O-N 2.72Å; R489-A491 VanDerWaalsContact C-N 3.3Å; R489-A491 PolarHBondContact O-N 2.62Å; R489-L492 PolarHBondContact O-N 3.37Å; R489-L493 PolarHBondContact O-N 2.83Å; R489-L493 VanDerWaalsContact O-N 3.12Å; R489-D533 HydrophobicContact CG-CB 4.32Å; R489-D533 IonicContact CZ-OD1 2.66Å; R489-D533 VanDerWaalsContact CZ-OD1 3.3Å; R489-D533 IonicContact NE-OD1 3.91Å; R489-D533 PolarHBondContact NE-OD1 2.98Å; R489-D533 IonicContact NH2-OD1 3.47Å; R489-D533 PolarHBondContact NH2-OD1 3.39Å; R489-E536 VanDerWaalsContact CD-CD 3.48Å; R489-E536 IonicContact CZ-OE2 2.84Å; R489-E536 IonicContact NE-OE1 2.81Å; R489-E536 IonicContact NE-OE2 3.76Å; R489-E536 PolarHBondContact NE-OE2 2.93Å; R489-A537 HydrophobicContact CB-CB 4.02Å; R489-A537 VanDerWaalsContact O-CB 3.32Å; R489-A537 WeakPolarHBondContact O-CB 3.39Å
490	A	97.8	Very high	95.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.9	-36.2	177.2	0	0	0	0	0	112.1	F409 F487 L493 A494 L541 L567	F409-A490 HydrophobicContact CZ-CB 4.41Å; F487-A490 CarbonylContact O-C 3.55Å; F487-A490 PolarHBondContact O-N 3.22Å; F487-A490 VanDerWaalsContact O-N 3.1Å; A490-L493 PolarHBondContact O-N 3.31Å; A490-A494 WeakPolarHBondContact O-CB 3.47Å; A490-A494 PolarHBondContact O-N 2.79Å; A490-L541 HydrophobicContact CB-CD2 3.99Å; A490-L541 HydrophobicContact CB-CG 4.21Å; A490-L567 HydrophobicContact CB-CD1 4.02Å; A490-L567 HydrophobicContact CB-CD2 4.21Å
491	A	98.1	Very high	94.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-69.8	-42.2	178.1	0	0	0	0	0	112.4	F487 I488 R489 L493 A494 C495 L567 I570 L571	F487-A491 VanDerWaalsContact O-CB 3.3Å; F487-A491 WeakPolarHBondContact O-CB 3.26Å; F487-A491 PolarHBondContact O-N 3.33Å; I488-A491 PolarHBondContact O-N 3.48Å; R489-A491 VanDerWaalsContact C-N 3.3Å; R489-A491 PolarHBondContact O-N 2.62Å; A491-L493 VanDerWaalsContact C-N 3.28Å; A491-L493 PolarHBondContact O-N 3.49Å; A491-A494 PolarHBondContact O-N 3.37Å; A491-C495 PolarHBondContact O-N 3.26Å; A491-C495 PolarHBondContact O-SG 3.26Å; A491-C495 VanDerWaalsContact O-SG 3.39Å; A491-L567 HydrophobicContact CB-CB 4.4Å; A491-L567 HydrophobicContact CB-CD2 4.24Å; A491-L567 WeakPolarHBondContact CB-O 3.38Å; A491-I570 HydrophobicContact CB-CG2 3.87Å; A491-L571 VanDerWaalsContact C-CD1 3.46Å; A491-L571 HydrophobicContact CB-CD1 3.56Å; A491-L571 HydrophobicContact CB-CG 3.77Å
492	L	97.9	Very high	94.4	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-60.3	-41.2	172.9	-71.3	169	0	0	0	111.2	I488 R489 A496 F512 L515 R516 F519 L525 L571	I488-L492 HydrophobicContact CD1-CD1 4.25Å; I488-L492 HydrophobicContact CD1-CG 4.06Å; I488-L492 HydrophobicContact CG1-CD1 4.11Å; I488-L492 HydrophobicContact CG1-CG 4.4Å; I488-L492 WeakPolarHBondContact O-CB 3.47Å; I488-L492 VanDerWaalsContact O-CG 3.24Å; I488-L492 WeakPolarHBondContact O-CG 3.23Å; I488-L492 PolarHBondContact O-N 3.02Å; R489-L492 PolarHBondContact O-N 3.37Å; L492-A496 WeakPolarHBondContact O-CB 3.34Å; L492-A496 PolarHBondContact O-N 2.94Å; L492-F512 HydrophobicContact CB-CD2 3.73Å; L492-F512 HydrophobicContact CB-CE2 3.59Å; L492-F512 HydrophobicContact CD1-CE2 4.41Å; L492-L515 HydrophobicContact CD2-CB 3.72Å; L492-R516 HydrophobicContact CD1-CB 4.27Å; L492-F519 HydrophobicContact CD2-CD2 3.95Å; L492-L525 HydrophobicContact CD1-CD1 3.85Å; L492-L571 HydrophobicContact CD2-CD1 3.94Å; L492-L571 HydrophobicContact CG-CD1 4.14Å
493	L	97.6	Very high	94.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-67.3	-41.2	175.4	179.9	56.6	0	0	0	111.6	R489 A490 A491 A496 V497 I508 F512 F534 A537 C538 L541 L547	R489-L493 PolarHBondContact O-N 2.83Å; R489-L493 VanDerWaalsContact O-N 3.12Å; A490-L493 PolarHBondContact O-N 3.31Å; A491-L493 VanDerWaalsContact C-N 3.28Å; A491-L493 PolarHBondContact O-N 3.49Å; L493-A496 PolarHBondContact O-N 2.94Å; L493-V497 HydrophobicContact CD1-CG2 4.14Å; L493-V497 HydrophobicContact CG-CG2 4.47Å; L493-V497 VanDerWaalsContact O-CG2 3.32Å; L493-V497 WeakPolarHBondContact O-CG2 3.45Å; L493-V497 PolarHBondContact O-N 3.49Å; L493-I508 HydrophobicContact CD1-CG2 3.51Å; L493-F512 HydrophobicContact CB-CD2 4.11Å; L493-F512 HydrophobicContact CB-CE2 4.35Å; L493-F534 HydrophobicContact CD1-CD2 4.18Å; L493-F534 HydrophobicContact CD1-CE2 3.58Å; L493-F534 HydrophobicContact CD1-CZ 4.37Å; L493-A537 HydrophobicContact CB-CB 3.84Å; L493-A537 HydrophobicContact CD2-CB 3.65Å; L493-A537 HydrophobicContact CG-CB 4.4Å; L493-C538 HydrophobicContact CD2-CB 4.4Å; L493-L541 HydrophobicContact CB-CD1 4.33Å; L493-L541 HydrophobicContact CD2-CD1 3.76Å; L493-L541 HydrophobicContact CG-CD1 3.99Å; L493-L547 HydrophobicContact CD2-CD1 4.21Å
494	A	96.8	Very high	94	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.9	-46.2	176.7	0	0	0	0	0	112.1	A490 A491 V497 H498 L564 L567	A490-A494 WeakPolarHBondContact O-CB 3.47Å; A490-A494 PolarHBondContact O-N 2.79Å; A491-A494 PolarHBondContact O-N 3.37Å; A494-V497 PolarHBondContact O-N 3.04Å; A494-H498 WeakPolarHBondContact O-CB 3.29Å; A494-H498 PolarHBondContact O-N 2.83Å; A494-L564 HydrophobicContact CB-CD1 3.52Å; A494-L564 HydrophobicContact CB-CG 4.26Å; A494-L567 HydrophobicContact CB-CB 3.59Å; A494-L567 HydrophobicContact CB-CD1 4.25Å
495	C	96	Very high	93.8	Very high	8 Å²	8	35 Å²	35	5%	0.054	18%	0.182	C	C	.	.	H	α-helix	trans	-59.7	-45.8	172.5	-70.2	0	0	0	0	111.2	A491 V497 H498 S499 L515	A491-C495 PolarHBondContact O-N 3.26Å; A491-C495 PolarHBondContact O-SG 3.26Å; A491-C495 VanDerWaalsContact O-SG 3.39Å; C495-V497 PolarHBondContact O-N 3.43Å; C495-H498 PolarHBondContact O-N 2.91Å; C495-S499 WeakPolarHBondContact O-CB 3.41Å; C495-S499 PolarHBondContact O-N 3.02Å; C495-S499 PolarHBondContact O-OG 3.01Å; C495-L515 HydrophobicContact CB-CD1 3.71Å
496	A	95.3	Very high	93.8	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.4	-44.9	179	0	0	0	0	0	112.5	L492 L493 H498 S499 V500 I508 T511 F512 L515	L492-A496 WeakPolarHBondContact O-CB 3.34Å; L492-A496 PolarHBondContact O-N 2.94Å; L493-A496 PolarHBondContact O-N 2.94Å; A496-H498 VanDerWaalsContact C-N 3.32Å; A496-H498 PolarHBondContact O-N 2.86Å; A496-S499 PolarHBondContact O-N 2.78Å; A496-V500 WeakPolarHBondContact O-CG2 3.09Å; A496-V500 PolarHBondContact O-N 2.94Å; A496-I508 HydrophobicContact CB-CG2 4.04Å; A496-T511 HydrophobicContact CB-CG2 3.92Å; A496-F512 HydrophobicContact CB-CB 4.08Å; A496-L515 HydrophobicContact CB-CD1 4.47Å
497	V	93.7	Very high	93.6	Very high	21 Å²	21	41.2 Å²	41.2	13%	0.127	21%	0.209	C	C	.	.	H	α-helix	trans	-62.5	-38.6	175.3	170.6	0	0	0	0	111.4	L493 A494 C495 I508 V554 V556 L564	L493-V497 HydrophobicContact CD1-CG2 4.14Å; L493-V497 HydrophobicContact CG-CG2 4.47Å; L493-V497 VanDerWaalsContact O-CG2 3.32Å; L493-V497 WeakPolarHBondContact O-CG2 3.45Å; L493-V497 PolarHBondContact O-N 3.49Å; A494-V497 PolarHBondContact O-N 3.04Å; C495-V497 PolarHBondContact O-N 3.43Å; V497-I508 HydrophobicContact CG2-CD1 4.18Å; V497-I508 HydrophobicContact CG2-CG2 3.87Å; V497-V554 HydrophobicContact CG2-CG1 4.36Å; V497-V556 HydrophobicContact CG1-CG2 3.8Å; V497-L564 HydrophobicContact CG1-CD2 4.49Å
498	H	90.3	Very high	93.5	Very high	135 Å²	135	41.3 Å²	41.3	63%	0.625	21%	0.21	S	C	*	.	H	α-helix	trans	-72.1	-32.2	178.5	-172.7	66.5	0	0	0	113.1	A494 C495 A496	A494-H498 WeakPolarHBondContact O-CB 3.29Å; A494-H498 PolarHBondContact O-N 2.83Å; C495-H498 PolarHBondContact O-N 2.91Å; A496-H498 VanDerWaalsContact C-N 3.32Å; A496-H498 PolarHBondContact O-N 2.86Å
499	S	87.8	Confident	93.5	Very high	42 Å²	42	42.9 Å²	42.9	29%	0.294	22%	0.216	S	C	.	.	H	α-helix	trans	-81.9	-25.6	-176.5	-63	0	0	0	0	114.3	C495 A496	C495-S499 WeakPolarHBondContact O-CB 3.41Å; C495-S499 PolarHBondContact O-N 3.02Å; C495-S499 PolarHBondContact O-OG 3.01Å; A496-S499 PolarHBondContact O-N 2.78Å
500	V	86.9	Confident	93.4	Very high	16 Å²	16	45.9 Å²	45.9	10%	0.097	23%	0.234	C	C	.	.			trans	-92.8	143.8	179.1	-59.3	0	0	0	0	111.4	A496 S502 I508 T511	A496-V500 WeakPolarHBondContact O-CG2 3.09Å; A496-V500 PolarHBondContact O-N 2.94Å; V500-S502 WeakPolarHBondContact CG2-O 3.44Å; V500-I508 HydrophobicContact CG2-CD1 4.45Å; V500-I508 HydrophobicContact CG2-CG1 3.56Å; V500-T511 WeakPolarHBondContact CG1-OG1 3.19Å
501	T	84.9	Confident	93.3	Very high	146 Å²	146	46.7 Å²	46.7	90%	0.896	24%	0.239	S	C	*	.	S	Bend	trans	-82.6	-18.7	172.5	52.8	0	0	0	0	112.7
502	S	87.1	Confident	93.2	Very high	27 Å²	27	46.7 Å²	46.7	19%	0.189	24%	0.239	C	C	.	.			trans	-90.9	139.5	-177	-176.2	0	0	0	0	111.5	V500 R504 E507	V500-S502 WeakPolarHBondContact CG2-O 3.44Å; S502-R504 PolarHBondContact O-N 3.39Å; S502-R504 WeakPolarHBondContact OG-CB 3.37Å; S502-R504 WeakPolarHBondContact OG-CG 3.34Å; S502-R504 PolarHBondContact OG-N 3.4Å; S502-E507 WeakPolarHBondContact CB-OE2 3.12Å; S502-E507 PolarHBondContact OG-OE1 3.35Å; S502-E507 PolarHBondContact OG-OE2 3.37Å
503	S	90	Very high	93.2	Very high	40 Å²	40	47.8 Å²	47.8	28%	0.28	25%	0.247	S	C	.	.			trans	-78.8	-2.4	171	56.2	0	0	0	0	112.9	K505 E553 V554	S503-K505 PolarHBondContact O-N 3.33Å; S503-E553 CarbonylContact O-C 3.55Å; S503-E553 VanDerWaalsContact O-CA 3.29Å; S503-E553 WeakPolarHBondContact O-CA 3.34Å; S503-V554 PolarHBondContact O-N 2.62Å
504	R	93.8	Very high	93.1	Very high	153 Å²	153	50.1 Å²	50.1	58%	0.577	26%	0.257	S	S	*	.	B	Isolated β-bridge	trans	-68.6	123.4	-175.1	-68.4	178.6	177.2	179.2	-0.9	111.7	S502 Q506 E507 I508	S502-R504 PolarHBondContact O-N 3.39Å; S502-R504 WeakPolarHBondContact OG-CB 3.37Å; S502-R504 WeakPolarHBondContact OG-CG 3.34Å; S502-R504 PolarHBondContact OG-N 3.4Å; R504-Q506 PolarHBondContact O-N 3.32Å; R504-Q506 VanDerWaalsContact O-N 3.14Å; R504-E507 HydrophobicContact CB-CG 4.42Å; R504-E507 WeakPolarHBondContact CD-OE1 3.39Å; R504-E507 PolarHBondContact O-N 3.18Å; R504-E507 VanDerWaalsContact O-N 3.08Å; R504-I508 PolarHBondContact O-N 3.1Å
505	K	93.6	Very high	93.1	Very high	73 Å²	73	50.5 Å²	50.5	32%	0.317	26%	0.259	S	S	.	.	H	α-helix	trans	-52.9	-37.3	179	-174.3	177.8	178.8	-178.7	0	113	S503 F509 F534 Q552 V554	S503-K505 PolarHBondContact O-N 3.33Å; K505-F509 WeakPolarHBondContact O-CB 3.32Å; K505-F509 PolarHBondContact O-N 2.98Å; K505-F534 HydrophobicContact CG-CE1 4.15Å; K505-F534 HydrophobicContact CG-CZ 4.14Å; K505-Q552 VanDerWaalsContact CB-O 3.24Å; K505-Q552 WeakPolarHBondContact CB-O 3.42Å; K505-Q552 PolarHBondContact N-O 3.25Å; K505-V554 HydrophobicContact CB-CG2 4.04Å; K505-V554 HydrophobicContact CG-CG2 4.21Å
506	Q	93.7	Very high	93.1	Very high	113 Å²	113	50.6 Å²	50.6	53%	0.528	26%	0.258	S	S	.	.	H	α-helix	trans	-67.1	-40.2	-179.8	-173.4	60.6	47.6	0	0	112.7	R504 F509 N510	R504-Q506 PolarHBondContact O-N 3.32Å; R504-Q506 VanDerWaalsContact O-N 3.14Å; Q506-F509 PolarHBondContact O-N 3.33Å; Q506-N510 PolarHBondContact NE2-OD1 3.17Å; Q506-N510 PolarHBondContact O-N 3.1Å; Q506-N510 PolarHBondContact O-ND2 3.48Å; Q506-N510 PolarHBondContact O-OD1 2.9Å
507	E	93.4	Very high	93.1	Very high	63 Å²	63	53.7 Å²	53.7	29%	0.294	28%	0.275	S	S	.	.	H	α-helix	trans	-69.3	-41.8	178.3	-69.4	176.8	-137.3	0	0	110.6	S502 R504 F509 N510 T511	S502-E507 WeakPolarHBondContact CB-OE2 3.12Å; S502-E507 PolarHBondContact OG-OE1 3.35Å; S502-E507 PolarHBondContact OG-OE2 3.37Å; R504-E507 HydrophobicContact CB-CG 4.42Å; R504-E507 WeakPolarHBondContact CD-OE1 3.39Å; R504-E507 PolarHBondContact O-N 3.18Å; R504-E507 VanDerWaalsContact O-N 3.08Å; E507-F509 VanDerWaalsContact C-N 3.32Å; E507-F509 PolarHBondContact O-N 3.03Å; E507-N510 PolarHBondContact O-N 3.45Å; E507-T511 PolarHBondContact O-N 3.32Å; E507-T511 PolarHBondContact O-OG1 3.28Å
508	I	95.6	Very high	93.2	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-60	-43.4	173.4	-62.5	164.6	0	0	0	110.6	L493 A496 V497 V500 R504 N510 T511 F512 F534 V554	L493-I508 HydrophobicContact CD1-CG2 3.51Å; A496-I508 HydrophobicContact CB-CG2 4.04Å; V497-I508 HydrophobicContact CG2-CD1 4.18Å; V497-I508 HydrophobicContact CG2-CG2 3.87Å; V500-I508 HydrophobicContact CG2-CD1 4.45Å; V500-I508 HydrophobicContact CG2-CG1 3.56Å; R504-I508 PolarHBondContact O-N 3.1Å; I508-N510 VanDerWaalsContact C-N 3.35Å; I508-N510 PolarHBondContact O-N 3.09Å; I508-T511 PolarHBondContact O-N 2.98Å; I508-F512 VanDerWaalsContact O-CB 3.29Å; I508-F512 WeakPolarHBondContact O-CB 3.48Å; I508-F512 PolarHBondContact O-N 3.37Å; I508-F534 HydrophobicContact CG2-CE2 4.2Å; I508-V554 HydrophobicContact CD1-CB 3.59Å; I508-V554 HydrophobicContact CD1-CG1 4.24Å; I508-V554 HydrophobicContact CD1-CG2 3.8Å
509	F	96.3	Very high	93.5	Very high	39 Å²	39	46.4 Å²	46.4	17%	0.171	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-40.9	176.7	176.3	-103.1	0	0	0	112.5	K505 Q506 E507 F512 S513 V531 F534	K505-F509 WeakPolarHBondContact O-CB 3.32Å; K505-F509 PolarHBondContact O-N 2.98Å; Q506-F509 PolarHBondContact O-N 3.33Å; E507-F509 VanDerWaalsContact C-N 3.32Å; E507-F509 PolarHBondContact O-N 3.03Å; F509-F512 PolarHBondContact O-N 2.97Å; F509-S513 WeakPolarHBondContact CZ-OG 3.2Å; F509-S513 VanDerWaalsContact O-CB 3.31Å; F509-S513 WeakPolarHBondContact O-CB 3.22Å; F509-S513 PolarHBondContact O-N 2.86Å; F509-S513 PolarHBondContact O-OG 3.13Å; F509-V531 HydrophobicContact CE2-CG2 4.39Å; F509-V531 HydrophobicContact CZ-CG2 4.04Å; F509-F534 HydrophobicContact CB-CE1 4.22Å; F509-F534 HydrophobicContact CB-CE2 4.06Å; F509-F534 HydrophobicContact CB-CZ 3.89Å; F509-F534 HydrophobicContact CD2-CB 3.91Å; F509-F534 AromaticContact CD2-CD1 3.64Å; F509-F534 HydrophobicContact CD2-CD1 3.64Å; F509-F534 AromaticContact CD2-CD2 3.79Å; F509-F534 HydrophobicContact CD2-CD2 3.79Å; F509-F534 HydrophobicContact CD2-CE1 4.01Å; F509-F534 HydrophobicContact CD2-CE2 4.13Å; F509-F534 AromaticContact CD2-CG 3.51Å; F509-F534 HydrophobicContact CD2-CG 3.51Å; F509-F534 HydrophobicContact CD2-CZ 4.24Å; F509-F534 HydrophobicContact CE2-CB 3.94Å; F509-F534 HydrophobicContact CE2-CD1 4.3Å; F509-F534 HydrophobicContact CE2-CG 4.07Å
510	N	95.7	Very high	93.7	Very high	84 Å²	84	46.1 Å²	46.1	45%	0.449	24%	0.237	S	C	.	.	H	α-helix	trans	-63.7	-45.5	177.7	-66.2	-13.8	0	0	0	111.1	Q506 E507 I508 S513 F514	Q506-N510 PolarHBondContact NE2-OD1 3.17Å; Q506-N510 PolarHBondContact O-N 3.1Å; Q506-N510 PolarHBondContact O-ND2 3.48Å; Q506-N510 PolarHBondContact O-OD1 2.9Å; E507-N510 PolarHBondContact O-N 3.45Å; I508-N510 VanDerWaalsContact C-N 3.35Å; I508-N510 PolarHBondContact O-N 3.09Å; N510-S513 PolarHBondContact O-N 3.37Å; N510-F514 PolarHBondContact O-N 2.9Å
511	T	95.4	Very high	94	Very high	17 Å²	17	47.5 Å²	47.5	10%	0.104	24%	0.244	C	C	.	.	H	α-helix	trans	-65.5	-42.2	176.4	-57.1	0	0	0	0	111.7	A496 V500 E507 I508 S513 F514 L515	A496-T511 HydrophobicContact CB-CG2 3.92Å; V500-T511 WeakPolarHBondContact CG1-OG1 3.19Å; E507-T511 PolarHBondContact O-N 3.32Å; E507-T511 PolarHBondContact O-OG1 3.28Å; I508-T511 PolarHBondContact O-N 2.98Å; T511-S513 VanDerWaalsContact C-N 3.33Å; T511-S513 PolarHBondContact O-N 3.43Å; T511-F514 WeakPolarHBondContact O-CB 3.5Å; T511-F514 PolarHBondContact O-N 2.93Å; T511-L515 HydrophobicContact CG2-CD1 4.32Å; T511-L515 WeakPolarHBondContact O-CG 3.44Å; T511-L515 PolarHBondContact O-N 3.02Å
512	F	96.6	Very high	94.5	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-56.9	-47.1	173.1	172.6	-90.4	0	0	0	111.5	L492 L493 A496 I508 F509 F514 L515 R516 D533 F534 A537	L492-F512 HydrophobicContact CB-CD2 3.73Å; L492-F512 HydrophobicContact CB-CE2 3.59Å; L492-F512 HydrophobicContact CD1-CE2 4.41Å; L493-F512 HydrophobicContact CB-CD2 4.11Å; L493-F512 HydrophobicContact CB-CE2 4.35Å; A496-F512 HydrophobicContact CB-CB 4.08Å; I508-F512 VanDerWaalsContact O-CB 3.29Å; I508-F512 WeakPolarHBondContact O-CB 3.48Å; I508-F512 PolarHBondContact O-N 3.37Å; F509-F512 PolarHBondContact O-N 2.97Å; F512-F514 VanDerWaalsContact C-N 3.33Å; F512-F514 PolarHBondContact O-N 2.85Å; F512-L515 PolarHBondContact O-N 2.79Å; F512-R516 WeakPolarHBondContact O-CB 3.46Å; F512-R516 PolarHBondContact O-N 3.29Å; F512-D533 HydrophobicContact CE1-CB 4.38Å; F512-D533 HydrophobicContact CZ-CB 4.07Å; F512-F534 HydrophobicContact CB-CD2 3.95Å; F512-F534 HydrophobicContact CB-CE2 4.2Å; F512-F534 HydrophobicContact CD1-CB 3.88Å; F512-F534 AromaticContact CD1-CD2 3.68Å; F512-F534 HydrophobicContact CD1-CD2 3.68Å; F512-F534 HydrophobicContact CD1-CG 4.24Å; F512-F534 HydrophobicContact CD2-CD2 4.06Å; F512-F534 HydrophobicContact CE1-CB 3.62Å; F512-F534 HydrophobicContact CE1-CD2 4.16Å; F512-F534 HydrophobicContact CE1-CG 4.41Å; F512-F534 HydrophobicContact CE2-CD2 4.48Å; F512-F534 AromaticContact CG-CD2 3.63Å; F512-F534 HydrophobicContact CG-CD2 3.63Å; F512-F534 HydrophobicContact CG-CE2 4.33Å; F512-F534 HydrophobicContact CZ-CB 4.12Å; F512-A537 HydrophobicContact CE2-CB 4.41Å
513	S	96.7	Very high	94.9	Very high	23 Å²	23	40 Å²	40	16%	0.161	20%	0.196	C	C	.	.	H	α-helix	trans	-64	-39.2	-179.9	-60.7	0	0	0	0	111.6	F509 N510 T511 N517	F509-S513 WeakPolarHBondContact CZ-OG 3.2Å; F509-S513 VanDerWaalsContact O-CB 3.31Å; F509-S513 WeakPolarHBondContact O-CB 3.22Å; F509-S513 PolarHBondContact O-N 2.86Å; F509-S513 PolarHBondContact O-OG 3.13Å; N510-S513 PolarHBondContact O-N 3.37Å; T511-S513 VanDerWaalsContact C-N 3.33Å; T511-S513 PolarHBondContact O-N 3.43Å; S513-N517 WeakPolarHBondContact O-CB 3.23Å; S513-N517 PolarHBondContact O-N 3.27Å
514	F	96	Very high	95	Very high	49 Å²	49	38.9 Å²	38.9	22%	0.215	19%	0.187	C	C	.	.	H	α-helix	trans	-59.7	-54.3	172.1	168.7	-99.6	0	0	0	111.9	N510 T511 F512 R516 N517 M518 L661 T664 L665	N510-F514 PolarHBondContact O-N 2.9Å; T511-F514 WeakPolarHBondContact O-CB 3.5Å; T511-F514 PolarHBondContact O-N 2.93Å; F512-F514 VanDerWaalsContact C-N 3.33Å; F512-F514 PolarHBondContact O-N 2.85Å; F514-R516 VanDerWaalsContact C-N 3.33Å; F514-R516 PolarHBondContact O-N 3.42Å; F514-N517 PolarHBondContact O-N 3.32Å; F514-M518 PolarHBondContact O-N 3.43Å; F514-L661 HydrophobicContact CE2-CD2 3.58Å; F514-L661 HydrophobicContact CZ-CD2 3.9Å; F514-T664 HydrophobicContact CD1-CG2 3.68Å; F514-T664 HydrophobicContact CD2-CG2 4.41Å; F514-T664 HydrophobicContact CE1-CG2 3.36Å; F514-T664 HydrophobicContact CE2-CG2 4.14Å; F514-T664 HydrophobicContact CG-CG2 4.2Å; F514-T664 HydrophobicContact CZ-CG2 3.62Å; F514-L665 HydrophobicContact CE1-CD2 4.18Å; F514-L665 HydrophobicContact CE1-CG 4.41Å; F514-L665 HydrophobicContact CZ-CG 4.47Å
515	L	96.6	Very high	94.9	Very high	9 Å²	9	32 Å²	32	5%	0.047	16%	0.162	C	C	.	.	H	α-helix	trans	-61	-43.5	-179	-67.2	172.9	0	0	0	111.2	L492 C495 A496 T511 F512 N517 M518 F519 L665	L492-L515 HydrophobicContact CD2-CB 3.72Å; C495-L515 HydrophobicContact CB-CD1 3.71Å; A496-L515 HydrophobicContact CB-CD1 4.47Å; T511-L515 HydrophobicContact CG2-CD1 4.32Å; T511-L515 WeakPolarHBondContact O-CG 3.44Å; T511-L515 PolarHBondContact O-N 3.02Å; F512-L515 PolarHBondContact O-N 2.79Å; L515-N517 VanDerWaalsContact C-N 3.35Å; L515-N517 PolarHBondContact O-N 3.22Å; L515-M518 PolarHBondContact O-N 2.88Å; L515-F519 HydrophobicContact CB-CD2 4.46Å; L515-F519 HydrophobicContact CD2-CE2 4.14Å; L515-F519 WeakPolarHBondContact O-CD2 3.48Å; L515-F519 PolarHBondContact O-N 3.21Å; L515-L665 HydrophobicContact CD2-CD2 4.33Å
516	R	96.1	Very high	94.7	Very high	10 Å²	10	31.1 Å²	31.1	4%	0.038	16%	0.156	C	C	.	.	H	α-helix	trans	-56.1	-47.3	174.7	173.4	172.6	-170	-64	-2.9	111.9	L492 F512 F514 S520 L525 R526 E530 D533	L492-R516 HydrophobicContact CD1-CB 4.27Å; F512-R516 WeakPolarHBondContact O-CB 3.46Å; F512-R516 PolarHBondContact O-N 3.29Å; F514-R516 VanDerWaalsContact C-N 3.33Å; F514-R516 PolarHBondContact O-N 3.42Å; R516-S520 PolarHBondContact O-N 3.46Å; R516-L525 HydrophobicContact CG-CD1 3.79Å; R516-R526 PolarHBondContact NH2-O 3.24Å; R516-E530 IonicContact NH1-OE1 2.73Å; R516-D533 IonicContact CZ-OD2 3.79Å; R516-D533 VanDerWaalsContact CZ-OD2 3.23Å; R516-D533 IonicContact NE-OD2 2.62Å; R516-D533 PolarHBondContact NE-OD2 3.22Å; R516-D533 IonicContact NH2-OD2 3.37Å; R516-D533 PolarHBondContact NH2-OD2 3.46Å
517	N	95.1	Very high	94.4	Very high	64 Å²	64	29 Å²	29	34%	0.342	15%	0.152	S	C	.	.	H	α-helix	trans	-65.9	-44.7	177.5	-176	15.4	0	0	0	110.9	S513 F514 L515 F519 S520 R635 L636	S513-N517 WeakPolarHBondContact O-CB 3.23Å; S513-N517 PolarHBondContact O-N 3.27Å; F514-N517 PolarHBondContact O-N 3.32Å; L515-N517 VanDerWaalsContact C-N 3.35Å; L515-N517 PolarHBondContact O-N 3.22Å; N517-F519 VanDerWaalsContact C-N 3.31Å; N517-F519 PolarHBondContact O-N 2.86Å; N517-S520 WeakPolarHBondContact O-CB 3.33Å; N517-S520 PolarHBondContact O-N 3.05Å; N517-S520 PolarHBondContact O-OG 3.5Å; N517-R635 PolarHBondContact O-NH2 2.9Å; N517-R635 PolarHBondContact OD1-NE 3.45Å; N517-L636 WeakPolarHBondContact ND2-CD2 3.38Å
518	M	95.7	Very high	94.1	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-57.3	-44.5	179.8	-167.8	64.8	-171.2	0	0	111.8	F514 L515 S520 Y578 A632 L633 L636 L665	F514-M518 PolarHBondContact O-N 3.43Å; L515-M518 PolarHBondContact O-N 2.88Å; M518-S520 PolarHBondContact O-N 3.27Å; M518-Y578 HydrophobicContact CE-CD1 3.45Å; M518-Y578 VanDerWaalsContact CE-CD1 3.45Å; M518-Y578 HydrophobicContact CE-CE1 4.02Å; M518-Y578 HydrophobicContact CG-CD1 3.8Å; M518-Y578 HydrophobicContact CG-CE1 4.13Å; M518-Y578 HydrophobicContact SD-CD1 4.39Å; M518-A632 HydrophobicContact CE-CB 4.22Å; M518-A632 WeakPolarHBondContact O-CB 3.32Å; M518-A632 HydrophobicContact SD-CB 4.36Å; M518-L633 HydrophobicContact CE-CD2 3.89Å; M518-L633 HydrophobicContact CE-CG 4.38Å; M518-L636 HydrophobicContact SD-CD1 3.47Å; M518-L636 WeakPolarHBondContact SD-CD1 3.1Å; M518-L665 HydrophobicContact CE-CD1 4.36Å; M518-L665 HydrophobicContact CG-CD2 4.35Å
519	F	96.1	Very high	93.9	Very high	1 Å²	1	29.4 Å²	29.4	0%	0.004	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-90.7	13.2	-177.4	-63.2	-59.2	0	0	0	115.1	L492 L515 N517 N521 E522 F523 F574 V575 Y578	L492-F519 HydrophobicContact CD2-CD2 3.95Å; L515-F519 HydrophobicContact CB-CD2 4.46Å; L515-F519 HydrophobicContact CD2-CE2 4.14Å; L515-F519 WeakPolarHBondContact O-CD2 3.48Å; L515-F519 PolarHBondContact O-N 3.21Å; N517-F519 VanDerWaalsContact C-N 3.31Å; N517-F519 PolarHBondContact O-N 2.86Å; F519-N521 PolarHBondContact O-N 3.1Å; F519-E522 HydrophobicContact CB-CB 4.14Å; F519-E522 HydrophobicContact CD1-CB 4.22Å; F519-E522 HydrophobicContact CD1-CG 4.5Å; F519-E522 WeakPolarHBondContact O-CA 3.36Å; F519-E522 WeakPolarHBondContact O-CB 3.32Å; F519-E522 PolarHBondContact O-N 2.89Å; F519-F523 HydrophobicContact CB-CD2 3.62Å; F519-F523 HydrophobicContact CB-CE2 3.79Å; F519-F523 HydrophobicContact CD1-CE2 4.35Å; F519-F523 HydrophobicContact CD2-CE2 4.49Å; F519-F523 HydrophobicContact CG-CD2 4.32Å; F519-F523 AromaticContact CG-CE2 3.98Å; F519-F523 HydrophobicContact CG-CE2 3.98Å; F519-F523 PolarHBondContact O-N 3.41Å; F519-F574 HydrophobicContact CD1-CB 4.42Å; F519-F574 HydrophobicContact CE1-CB 3.82Å; F519-F574 HydrophobicContact CZ-CB 4.26Å; F519-V575 HydrophobicContact CE2-CG2 4.04Å; F519-V575 HydrophobicContact CZ-CB 4.42Å; F519-V575 HydrophobicContact CZ-CG2 3.73Å; F519-Y578 HydrophobicContact CD1-CD1 4.17Å; F519-Y578 HydrophobicContact CD1-CD2 4.5Å; F519-Y578 AromaticContact CD1-CE1 3.91Å; F519-Y578 HydrophobicContact CD1-CE1 3.91Å; F519-Y578 HydrophobicContact CD1-CE2 4.23Å; F519-Y578 HydrophobicContact CD1-CG 4.49Å; F519-Y578 AromaticContact CD1-CZ 3.95Å; F519-Y578 AromaticContact CE1-CD1 3.84Å; F519-Y578 HydrophobicContact CE1-CD1 3.84Å; F519-Y578 AromaticContact CE1-CD2 3.95Å; F519-Y578 HydrophobicContact CE1-CD2 3.95Å; F519-Y578 HydrophobicContact CE1-CE1 4.05Å; F519-Y578 HydrophobicContact CE1-CE2 4.13Å; F519-Y578 AromaticContact CE1-CG 3.82Å; F519-Y578 HydrophobicContact CE1-CG 3.82Å
520	S	93.1	Very high	93.9	Very high	36 Å²	36	31.5 Å²	31.5	25%	0.252	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-67.3	-14.8	-178.8	58.3	0	0	0	0	115.2	R516 N517 M518 R635	R516-S520 PolarHBondContact O-N 3.46Å; N517-S520 WeakPolarHBondContact O-CB 3.33Å; N517-S520 PolarHBondContact O-N 3.05Å; N517-S520 PolarHBondContact O-OG 3.5Å; M518-S520 PolarHBondContact O-N 3.27Å; S520-R635 PolarHBondContact OG-NH1 3.48Å; S520-R635 VanDerWaalsContact OG-NH1 3.1Å; S520-R635 PolarHBondContact OG-NH2 2.87Å
521	N	93.4	Very high	93.8	Very high	45 Å²	45	31.2 Å²	31.2	24%	0.241	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-87.8	-19.1	165.9	-67.7	108.9	0	0	0	113.3	F519 N628 A631 A632 R635	F519-N521 PolarHBondContact O-N 3.1Å; N521-N628 HydrophobicContact CB-CB 4.06Å; N521-A631 HydrophobicContact CB-CB 4.42Å; N521-A632 WeakPolarHBondContact OD1-CA 3.48Å; N521-A632 PolarHBondContact OD1-N 3.22Å; N521-R635 PolarHBondContact OD1-NH1 3.29Å
522	E	94.7	Very high	93.8	Very high	5 Å²	5	35.4 Å²	35.4	2%	0.023	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-39.3	-174.4	-165.9	64.1	-145.8	0	0	111.1	K236 F519 F574 Y578 N628	K236-E522 PolarHBondContact NZ-O 3.39Å; K236-E522 IonicContact NZ-OE1 2.83Å; K236-E522 PolarHBondContact NZ-OE1 2.97Å; K236-E522 IonicContact NZ-OE2 3.26Å; F519-E522 HydrophobicContact CB-CB 4.14Å; F519-E522 HydrophobicContact CD1-CB 4.22Å; F519-E522 HydrophobicContact CD1-CG 4.5Å; F519-E522 WeakPolarHBondContact O-CA 3.36Å; F519-E522 WeakPolarHBondContact O-CB 3.32Å; F519-E522 PolarHBondContact O-N 2.89Å; E522-F574 HydrophobicContact CG-CD1 3.65Å; E522-F574 HydrophobicContact CG-CE1 3.99Å; E522-F574 HydrophobicContact CG-CG 4.38Å; E522-F574 VanDerWaalsContact OE1-CD1 3.29Å; E522-F574 WeakPolarHBondContact OE1-CD1 3.47Å; E522-F574 WeakPolarHBondContact OE1-CE1 3.39Å; E522-Y578 PolarHBondContact OE2-OH 3.18Å; E522-N628 WeakPolarHBondContact OE2-CB 3.49Å; E522-N628 PolarHBondContact OE2-ND2 3.13Å
523	F	95.3	Very high	93.7	Very high	11 Å²	11	35.4 Å²	35.4	5%	0.048	20%	0.204	C	C	.	.	S	Bend	trans	-127.5	150.5	-176.2	-49.5	-59.3	0	0	0	112.5	K236 L484 I488 F519 L525 L571 F574	K236-F523 HydrophobicContact CD-CD1 4.43Å; K236-F523 HydrophobicContact CD-CE1 4.32Å; L484-F523 HydrophobicContact CD1-CE1 3.8Å; I488-F523 HydrophobicContact CD1-CB 4.38Å; I488-F523 HydrophobicContact CD1-CD1 4.14Å; I488-F523 HydrophobicContact CD1-CD2 3.24Å; I488-F523 HydrophobicContact CD1-CE1 4.28Å; I488-F523 HydrophobicContact CD1-CE2 3.39Å; I488-F523 HydrophobicContact CD1-CG 3.64Å; I488-F523 HydrophobicContact CD1-CZ 3.92Å; I488-F523 HydrophobicContact CG1-CB 4.04Å; I488-F523 HydrophobicContact CG1-CD1 4.46Å; I488-F523 HydrophobicContact CG1-CD2 3.83Å; I488-F523 HydrophobicContact CG1-CE2 4.44Å; I488-F523 HydrophobicContact CG1-CG 3.83Å; F519-F523 HydrophobicContact CB-CD2 3.62Å; F519-F523 HydrophobicContact CB-CE2 3.79Å; F519-F523 HydrophobicContact CD1-CE2 4.35Å; F519-F523 HydrophobicContact CD2-CE2 4.49Å; F519-F523 HydrophobicContact CG-CD2 4.32Å; F519-F523 AromaticContact CG-CE2 3.98Å; F519-F523 HydrophobicContact CG-CE2 3.98Å; F519-F523 PolarHBondContact O-N 3.41Å; F523-L525 PolarHBondContact O-N 2.96Å; F523-L571 HydrophobicContact CE2-CD2 3.68Å; F523-L571 HydrophobicContact CZ-CD2 3.65Å; F523-F574 HydrophobicContact CE1-CE1 4.34Å; F523-F574 HydrophobicContact CE1-CE2 4.23Å; F523-F574 HydrophobicContact CE1-CZ 4.1Å; F523-F574 HydrophobicContact CZ-CD1 4.16Å; F523-F574 AromaticContact CZ-CD2 3.82Å; F523-F574 HydrophobicContact CZ-CD2 3.82Å; F523-F574 HydrophobicContact CZ-CE1 4.24Å; F523-F574 AromaticContact CZ-CE2 3.89Å; F523-F574 HydrophobicContact CZ-CE2 3.89Å; F523-F574 AromaticContact CZ-CG 3.94Å; F523-F574 HydrophobicContact CZ-CG 3.94Å; F523-F574 HydrophobicContact CZ-CZ 4.1Å
524	I	92.1	Very high	93.8	Very high	16 Å²	16	34.6 Å²	34.6	8%	0.082	20%	0.197	C	C	.	.			trans	-83.4	98.6	178.7	-54.3	-53.4	0	0	0	110.2	S237 L238 F356 V359	S237-I524 WeakPolarHBondContact O-CD1 3.32Å; S237-I524 WeakPolarHBondContact O-CG1 3.47Å; L238-I524 WeakPolarHBondContact O-CD1 3.2Å; F356-I524 HydrophobicContact CD1-CG2 3.73Å; F356-I524 HydrophobicContact CE1-CG2 4Å; V359-I524 HydrophobicContact CB-CG2 4.41Å; V359-I524 HydrophobicContact CG1-CB 4.48Å; V359-I524 HydrophobicContact CG1-CG1 4.2Å; V359-I524 HydrophobicContact CG1-CG2 3.9Å
525	L	91.7	Very high	93.7	Very high	10 Å²	10	36.9 Å²	36.9	5%	0.052	21%	0.208	C	C	.	.			trans	-121.3	130.4	173.5	-60.7	171	0	0	0	108.4	I488 L492 R516 F523 P527	I488-L525 HydrophobicContact CG2-CD2 4.27Å; L492-L525 HydrophobicContact CD1-CD1 3.85Å; R516-L525 HydrophobicContact CG-CD1 3.79Å; F523-L525 PolarHBondContact O-N 2.96Å; L525-P527 WeakPolarHBondContact O-CD 3.3Å
526	R	89.9	Confident	93.6	Very high	53 Å²	53	39.1 Å²	39.1	20%	0.2	22%	0.219	C	C	.	.			trans	-64.4	124.3	-174.4	179.8	-178.3	177.1	-136.9	-8.2	110.3	D353 F356 R516 G528 A529	D353-R526 VanDerWaalsContact CG-NH2 3.31Å; D353-R526 IonicContact OD1-CZ 2.73Å; D353-R526 IonicContact OD1-NE 3.16Å; D353-R526 PolarHBondContact OD1-NE 2.86Å; D353-R526 IonicContact OD1-NH2 3.86Å; D353-R526 PolarHBondContact OD1-NH2 2.87Å; D353-R526 IonicContact OD2-NH2 2.9Å; D353-R526 PolarHBondContact OD2-NH2 2.91Å; F356-R526 HydrophobicContact CB-CG 4.5Å; R516-R526 PolarHBondContact NH2-O 3.24Å; R526-G528 PolarHBondContact O-N 3.44Å; R526-A529 HydrophobicContact CB-CB 3.89Å; R526-A529 HydrophobicContact CG-CB 4.17Å; R526-A529 WeakPolarHBondContact O-CB 3.17Å; R526-A529 PolarHBondContact O-N 3.25Å; R526-A529 VanDerWaalsContact O-N 3.16Å
527	P	87.6	Confident	93.7	Very high	69 Å²	69	38.7 Å²	38.7	45%	0.448	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	137.8	176.8	-27.3	35.7	0	0	0	112.1	F356 L525 A529	F356-P527 HydrophobicContact CD2-CG 4.35Å; F356-P527 HydrophobicContact CE2-CG 3.99Å; F356-P527 HydrophobicContact CZ-CG 4.07Å; L525-P527 WeakPolarHBondContact O-CD 3.3Å; P527-A529 VanDerWaalsContact C-N 3.25Å; P527-A529 PolarHBondContact O-N 3.35Å
528	G	87.3	Confident	93.7	Very high	71 Å²	71	36.1 Å²	36.1	73%	0.732	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.8	0.3	-179.1	0	0	0	0	0	116.5	R526 E530	R526-G528 PolarHBondContact O-N 3.44Å; G528-E530 VanDerWaalsContact C-N 3.33Å; G528-E530 PolarHBondContact O-N 2.73Å
529	A	91.6	Very high	93.7	Very high	3 Å²	3	40.1 Å²	40.1	3%	0.025	22%	0.22	C	C	.	.			trans	-92.6	26.3	179.7	0	0	0	0	0	114	R526 P527 V531 Q532 D533	R526-A529 HydrophobicContact CB-CB 3.89Å; R526-A529 HydrophobicContact CG-CB 4.17Å; R526-A529 WeakPolarHBondContact O-CB 3.17Å; R526-A529 PolarHBondContact O-N 3.25Å; R526-A529 VanDerWaalsContact O-N 3.16Å; P527-A529 VanDerWaalsContact C-N 3.25Å; P527-A529 PolarHBondContact O-N 3.35Å; A529-V531 PolarHBondContact O-N 2.78Å; A529-Q532 HydrophobicContact CB-CB 4.42Å; A529-Q532 PolarHBondContact O-N 3.18Å; A529-D533 WeakPolarHBondContact O-CB 3.46Å; A529-D533 VanDerWaalsContact O-CG 3.31Å; A529-D533 PolarHBondContact O-N 2.93Å
530	E	94.5	Very high	93.6	Very high	82 Å²	82	40.5 Å²	40.5	38%	0.383	22%	0.222	S	C	.	.	H	α-helix	trans	-60.8	-50.3	-170.1	-67.9	156.9	-178.5	0	0	113.1	R516 G528 Q532 D533 F534	R516-E530 IonicContact NH1-OE1 2.73Å; G528-E530 VanDerWaalsContact C-N 3.33Å; G528-E530 PolarHBondContact O-N 2.73Å; E530-Q532 VanDerWaalsContact C-N 3.32Å; E530-Q532 PolarHBondContact O-N 3.29Å; E530-D533 PolarHBondContact O-N 3.09Å; E530-F534 WeakPolarHBondContact O-CB 3.18Å; E530-F534 PolarHBondContact O-N 2.63Å
531	V	95.4	Very high	93.8	Very high	79 Å²	79	38.8 Å²	38.8	48%	0.479	21%	0.21	S	C	.	.	H	α-helix	trans	-62.4	-42.7	177.5	-180	0	0	0	0	110.6	F509 A529 F534 E535	F509-V531 HydrophobicContact CE2-CG2 4.39Å; F509-V531 HydrophobicContact CZ-CG2 4.04Å; A529-V531 PolarHBondContact O-N 2.78Å; V531-F534 PolarHBondContact O-N 3.21Å; V531-E535 HydrophobicContact CG1-CG 4.38Å; V531-E535 WeakPolarHBondContact O-CB 3.46Å; V531-E535 WeakPolarHBondContact O-CG 3.44Å; V531-E535 PolarHBondContact O-N 3.24Å
532	Q	94.4	Very high	93.9	Very high	104 Å²	104	39.8 Å²	39.8	49%	0.486	22%	0.217	S	C	.	.	H	α-helix	trans	-63.4	-45.6	179.7	-66.4	166.6	0.2	0	0	111.5	A529 E530 F534 E535 E536	A529-Q532 HydrophobicContact CB-CB 4.42Å; A529-Q532 PolarHBondContact O-N 3.18Å; E530-Q532 VanDerWaalsContact C-N 3.32Å; E530-Q532 PolarHBondContact O-N 3.29Å; Q532-F534 VanDerWaalsContact C-N 3.3Å; Q532-F534 PolarHBondContact O-N 3.44Å; Q532-E535 PolarHBondContact O-N 2.94Å; Q532-E536 WeakPolarHBondContact O-CB 3.31Å; Q532-E536 PolarHBondContact O-N 3.1Å
533	D	95.6	Very high	93.8	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-64.4	-36.1	178.1	-71.2	-33.1	0	0	0	111.4	R489 F512 R516 A529 E530 A537	R489-D533 HydrophobicContact CG-CB 4.32Å; R489-D533 IonicContact CZ-OD1 2.66Å; R489-D533 VanDerWaalsContact CZ-OD1 3.3Å; R489-D533 IonicContact NE-OD1 3.91Å; R489-D533 PolarHBondContact NE-OD1 2.98Å; R489-D533 IonicContact NH2-OD1 3.47Å; R489-D533 PolarHBondContact NH2-OD1 3.39Å; F512-D533 HydrophobicContact CE1-CB 4.38Å; F512-D533 HydrophobicContact CZ-CB 4.07Å; R516-D533 IonicContact CZ-OD2 3.79Å; R516-D533 VanDerWaalsContact CZ-OD2 3.23Å; R516-D533 IonicContact NE-OD2 2.62Å; R516-D533 PolarHBondContact NE-OD2 3.22Å; R516-D533 IonicContact NH2-OD2 3.37Å; R516-D533 PolarHBondContact NH2-OD2 3.46Å; A529-D533 WeakPolarHBondContact O-CB 3.46Å; A529-D533 VanDerWaalsContact O-CG 3.31Å; A529-D533 PolarHBondContact O-N 2.93Å; E530-D533 PolarHBondContact O-N 3.09Å; D533-A537 WeakPolarHBondContact O-CB 3.41Å; D533-A537 PolarHBondContact O-N 3.23Å
534	F	96.9	Very high	93.6	Very high	7 Å²	7	43.8 Å²	43.8	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-68.9	-44.4	175.9	-179.1	-104	0	0	0	112.6	L493 K505 I508 F509 F512 E530 V531 Q532 A537 C538	L493-F534 HydrophobicContact CD1-CD2 4.18Å; L493-F534 HydrophobicContact CD1-CE2 3.58Å; L493-F534 HydrophobicContact CD1-CZ 4.37Å; K505-F534 HydrophobicContact CG-CE1 4.15Å; K505-F534 HydrophobicContact CG-CZ 4.14Å; I508-F534 HydrophobicContact CG2-CE2 4.2Å; F509-F534 HydrophobicContact CB-CE1 4.22Å; F509-F534 HydrophobicContact CB-CE2 4.06Å; F509-F534 HydrophobicContact CB-CZ 3.89Å; F509-F534 HydrophobicContact CD2-CB 3.91Å; F509-F534 AromaticContact CD2-CD1 3.64Å; F509-F534 HydrophobicContact CD2-CD1 3.64Å; F509-F534 AromaticContact CD2-CD2 3.79Å; F509-F534 HydrophobicContact CD2-CD2 3.79Å; F509-F534 HydrophobicContact CD2-CE1 4.01Å; F509-F534 HydrophobicContact CD2-CE2 4.13Å; F509-F534 AromaticContact CD2-CG 3.51Å; F509-F534 HydrophobicContact CD2-CG 3.51Å; F509-F534 HydrophobicContact CD2-CZ 4.24Å; F509-F534 HydrophobicContact CE2-CB 3.94Å; F509-F534 HydrophobicContact CE2-CD1 4.3Å; F509-F534 HydrophobicContact CE2-CG 4.07Å; F512-F534 HydrophobicContact CB-CD2 3.95Å; F512-F534 HydrophobicContact CB-CE2 4.2Å; F512-F534 HydrophobicContact CD1-CB 3.88Å; F512-F534 AromaticContact CD1-CD2 3.68Å; F512-F534 HydrophobicContact CD1-CD2 3.68Å; F512-F534 HydrophobicContact CD1-CG 4.24Å; F512-F534 HydrophobicContact CD2-CD2 4.06Å; F512-F534 HydrophobicContact CE1-CB 3.62Å; F512-F534 HydrophobicContact CE1-CD2 4.16Å; F512-F534 HydrophobicContact CE1-CG 4.41Å; F512-F534 HydrophobicContact CE2-CD2 4.48Å; F512-F534 AromaticContact CG-CD2 3.63Å; F512-F534 HydrophobicContact CG-CD2 3.63Å; F512-F534 HydrophobicContact CG-CE2 4.33Å; F512-F534 HydrophobicContact CZ-CB 4.12Å; E530-F534 WeakPolarHBondContact O-CB 3.18Å; E530-F534 PolarHBondContact O-N 2.63Å; V531-F534 PolarHBondContact O-N 3.21Å; Q532-F534 VanDerWaalsContact C-N 3.3Å; Q532-F534 PolarHBondContact O-N 3.44Å; F534-A537 WeakPolarHBondContact O-CB 3.34Å; F534-A537 PolarHBondContact O-N 3.04Å; F534-C538 WeakPolarHBondContact O-CB 3.19Å; F534-C538 PolarHBondContact O-N 3.07Å; F534-C538 PolarHBondContact O-SG 3.41Å
535	E	95.6	Very high	93.7	Very high	96 Å²	96	45.6 Å²	45.6	45%	0.449	26%	0.255	S	S	.	.	H	α-helix	trans	-64.4	-40.8	176.7	-73.5	177.4	165.1	0	0	111.5	V531 Q532 C538 Y539	V531-E535 HydrophobicContact CG1-CG 4.38Å; V531-E535 WeakPolarHBondContact O-CB 3.46Å; V531-E535 WeakPolarHBondContact O-CG 3.44Å; V531-E535 PolarHBondContact O-N 3.24Å; Q532-E535 PolarHBondContact O-N 2.94Å; E535-C538 PolarHBondContact O-N 3.35Å; E535-Y539 WeakPolarHBondContact O-CB 3.14Å; E535-Y539 PolarHBondContact O-N 3.47Å
536	E	94.5	Very high	93.9	Very high	57 Å²	57	45.2 Å²	45.2	27%	0.266	25%	0.252	S	S	.	.	H	α-helix	trans	-60.6	-46.6	173.4	-172.6	177.2	163	0	0	110.7	R360 R489 Q532 C538 Y539 L540	R360-E536 IonicContact CZ-OE2 2.85Å; R360-E536 IonicContact NH1-OE2 3.8Å; R360-E536 IonicContact NH2-OE1 3.38Å; R360-E536 PolarHBondContact NH2-OE1 2.96Å; R360-E536 VanDerWaalsContact NH2-OE1 3.17Å; R360-E536 IonicContact NH2-OE2 3.54Å; R360-E536 PolarHBondContact NH2-OE2 3.03Å; R489-E536 VanDerWaalsContact CD-CD 3.48Å; R489-E536 IonicContact CZ-OE2 2.84Å; R489-E536 IonicContact NE-OE1 2.81Å; R489-E536 IonicContact NE-OE2 3.76Å; R489-E536 PolarHBondContact NE-OE2 2.93Å; Q532-E536 WeakPolarHBondContact O-CB 3.31Å; Q532-E536 PolarHBondContact O-N 3.1Å; E536-C538 PolarHBondContact O-N 2.91Å; E536-Y539 PolarHBondContact O-N 2.98Å; E536-L540 HydrophobicContact CG-CD1 4.37Å; E536-L540 WeakPolarHBondContact O-CB 3.13Å; E536-L540 VanDerWaalsContact O-CG 3.28Å; E536-L540 WeakPolarHBondContact O-CG 3.43Å; E536-L540 PolarHBondContact O-N 3.34Å
537	A	96.8	Very high	94.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.1	-46.8	175.4	0	0	0	0	0	112.4	R489 L493 F512 D533 F534 L540 L541	R489-A537 HydrophobicContact CB-CB 4.02Å; R489-A537 VanDerWaalsContact O-CB 3.32Å; R489-A537 WeakPolarHBondContact O-CB 3.39Å; L493-A537 HydrophobicContact CB-CB 3.84Å; L493-A537 HydrophobicContact CD2-CB 3.65Å; L493-A537 HydrophobicContact CG-CB 4.4Å; F512-A537 HydrophobicContact CE2-CB 4.41Å; D533-A537 WeakPolarHBondContact O-CB 3.41Å; D533-A537 PolarHBondContact O-N 3.23Å; F534-A537 WeakPolarHBondContact O-CB 3.34Å; F534-A537 PolarHBondContact O-N 3.04Å; A537-L540 PolarHBondContact O-N 3.29Å; A537-L541 WeakPolarHBondContact O-CG 3.39Å; A537-L541 PolarHBondContact O-N 2.88Å
538	C	96	Very high	94.4	Very high	10 Å²	10	44.2 Å²	44.2	7%	0.068	24%	0.244	C	C	.	.	H	α-helix	trans	-59.7	-48.1	177.4	-71.9	0	0	0	0	110.9	L493 F534 E535 E536 L540 L541 V542 I549	L493-C538 HydrophobicContact CD2-CB 4.4Å; F534-C538 WeakPolarHBondContact O-CB 3.19Å; F534-C538 PolarHBondContact O-N 3.07Å; F534-C538 PolarHBondContact O-SG 3.41Å; E535-C538 PolarHBondContact O-N 3.35Å; E536-C538 PolarHBondContact O-N 2.91Å; C538-L540 PolarHBondContact O-N 2.87Å; C538-L541 PolarHBondContact O-N 3.44Å; C538-V542 WeakPolarHBondContact O-CB 3.43Å; C538-V542 VanDerWaalsContact O-CG2 3.26Å; C538-V542 WeakPolarHBondContact O-CG2 3.44Å; C538-V542 PolarHBondContact O-N 3.04Å; C538-I549 HydrophobicContact CB-CD1 3.82Å
539	Y	95.2	Very high	94.7	Very high	87 Å²	87	43.5 Å²	43.5	34%	0.341	22%	0.223	S	C	.	.	H	α-helix	trans	-57.5	-48.9	178.9	170	-102.8	0	0	0	111.6	E535 E536 L541 V542 K543	E535-Y539 WeakPolarHBondContact O-CB 3.14Å; E535-Y539 PolarHBondContact O-N 3.47Å; E536-Y539 PolarHBondContact O-N 2.98Å; Y539-L541 PolarHBondContact O-N 2.87Å; Y539-V542 PolarHBondContact O-N 3.3Å; Y539-K543 HydrophobicContact CE1-CD 4.18Å; Y539-K543 WeakPolarHBondContact O-CB 3.29Å; Y539-K543 PolarHBondContact O-N 3.36Å
540	L	94.8	Very high	94.5	Very high	9 Å²	9	48.4 Å²	48.4	5%	0.047	25%	0.245	C	C	.	.	H	α-helix	trans	-61.5	-43.5	-179.5	-72.4	-179.1	0	0	0	112.1	F409 E536 A537 C538 S544	F409-L540 HydrophobicContact CD2-CB 3.68Å; F409-L540 HydrophobicContact CD2-CD1 4.04Å; F409-L540 HydrophobicContact CD2-CD2 4.03Å; F409-L540 HydrophobicContact CD2-CG 4.11Å; F409-L540 HydrophobicContact CE2-CB 3.68Å; E536-L540 HydrophobicContact CG-CD1 4.37Å; E536-L540 WeakPolarHBondContact O-CB 3.13Å; E536-L540 VanDerWaalsContact O-CG 3.28Å; E536-L540 WeakPolarHBondContact O-CG 3.43Å; E536-L540 PolarHBondContact O-N 3.34Å; A537-L540 PolarHBondContact O-N 3.29Å; C538-L540 PolarHBondContact O-N 2.87Å; L540-S544 WeakPolarHBondContact O-CB 3.34Å; L540-S544 PolarHBondContact O-N 2.95Å; L540-S544 VanDerWaalsContact O-N 3.11Å; L540-S544 PolarHBondContact O-OG 3.44Å
541	L	96.2	Very high	94.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-73.3	-34.9	179.9	-68.3	-173.8	0	0	0	113.4	F409 A490 L493 A537 C538 Y539 V546 L547 L567	F409-L541 HydrophobicContact CE2-CD2 4.35Å; F409-L541 HydrophobicContact CZ-CD2 4Å; A490-L541 HydrophobicContact CB-CD2 3.99Å; A490-L541 HydrophobicContact CB-CG 4.21Å; L493-L541 HydrophobicContact CB-CD1 4.33Å; L493-L541 HydrophobicContact CD2-CD1 3.76Å; L493-L541 HydrophobicContact CG-CD1 3.99Å; A537-L541 WeakPolarHBondContact O-CG 3.39Å; A537-L541 PolarHBondContact O-N 2.88Å; C538-L541 PolarHBondContact O-N 3.44Å; Y539-L541 PolarHBondContact O-N 2.87Å; L541-V546 HydrophobicContact CB-CB 4.27Å; L541-V546 HydrophobicContact CD2-CB 4.15Å; L541-V546 HydrophobicContact CD2-CG1 4.18Å; L541-V546 HydrophobicContact CD2-CG2 4.23Å; L541-V546 WeakPolarHBondContact O-CA 3.39Å; L541-V546 WeakPolarHBondContact O-CB 3.21Å; L541-V546 PolarHBondContact O-N 3.1Å; L541-L547 HydrophobicContact CB-CB 4.31Å; L541-L547 HydrophobicContact CB-CD1 3.75Å; L541-L547 HydrophobicContact CB-CG 3.88Å; L541-L547 HydrophobicContact CD1-CD1 3.51Å; L541-L547 HydrophobicContact CD1-CG 4.11Å; L541-L547 HydrophobicContact CG-CD1 4.28Å; L541-L547 PolarHBondContact O-N 3.37Å; L541-L567 HydrophobicContact CD2-CD1 3.58Å
542	V	95.1	Very high	93.7	Very high	65 Å²	65	56.8 Å²	56.8	39%	0.394	28%	0.279	S	S	.	.	H	α-helix	trans	-69.2	-45.7	173.6	171.6	0	0	0	0	110.6	C538 Y539 S544 A545 L547 I549	C538-V542 WeakPolarHBondContact O-CB 3.43Å; C538-V542 VanDerWaalsContact O-CG2 3.26Å; C538-V542 WeakPolarHBondContact O-CG2 3.44Å; C538-V542 PolarHBondContact O-N 3.04Å; Y539-V542 PolarHBondContact O-N 3.3Å; V542-S544 PolarHBondContact O-N 3.38Å; V542-A545 PolarHBondContact O-N 2.95Å; V542-L547 HydrophobicContact CG2-CB 4.34Å; V542-I549 HydrophobicContact CG2-CD1 3.8Å; V542-I549 HydrophobicContact CG2-CG1 3.83Å
543	K	92.7	Very high	93.6	Very high	80 Å²	80	56.3 Å²	56.3	35%	0.348	28%	0.277	S	S	.	.	H	α-helix	trans	-58.6	-35.6	177.9	-173.9	-174.3	-173.7	-171	0	112.2	D11 L13 Y539 A545	D11-K543 IonicContact OD1-NZ 2.7Å; D11-K543 PolarHBondContact OD1-NZ 3.29Å; D11-K543 IonicContact OD2-NZ 3.74Å; D11-K543 PolarHBondContact OD2-NZ 2.69Å; L13-K543 VanDerWaalsContact CD1-NZ 3.34Å; Y539-K543 HydrophobicContact CE1-CD 4.18Å; Y539-K543 WeakPolarHBondContact O-CB 3.29Å; Y539-K543 PolarHBondContact O-N 3.36Å; K543-A545 PolarHBondContact O-N 3.35Å
544	S	92.5	Very high	93.5	Very high	20 Å²	20	56.6 Å²	56.6	14%	0.14	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	12.9	179.5	-46.9	0	0	0	0	113	L540 V542 V546	L540-S544 WeakPolarHBondContact O-CB 3.34Å; L540-S544 PolarHBondContact O-N 2.95Å; L540-S544 VanDerWaalsContact O-N 3.11Å; L540-S544 PolarHBondContact O-OG 3.44Å; V542-S544 PolarHBondContact O-N 3.38Å; S544-V546 PolarHBondContact O-N 3.45Å; S544-V546 VanDerWaalsContact O-N 3.16Å
545	A	94	Very high	93.3	Very high	55 Å²	55	59.6 Å²	59.6	46%	0.455	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	35.8	-177.7	0	0	0	0	0	113.6	V542 K543 T557 S559	V542-A545 PolarHBondContact O-N 2.95Å; K543-A545 PolarHBondContact O-N 3.35Å; A545-T557 PolarHBondContact O-OG1 3.05Å; A545-S559 PolarHBondContact O-OG 3.07Å
546	V	95.4	Very high	93.2	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.006	29%	0.287	C	S	.	.	S	Bend	trans	-89.5	-45.4	175.2	-180	0	0	0	0	109.9	L541 S544 T557 T563	L541-V546 HydrophobicContact CB-CB 4.27Å; L541-V546 HydrophobicContact CD2-CB 4.15Å; L541-V546 HydrophobicContact CD2-CG1 4.18Å; L541-V546 HydrophobicContact CD2-CG2 4.23Å; L541-V546 WeakPolarHBondContact O-CA 3.39Å; L541-V546 WeakPolarHBondContact O-CB 3.21Å; L541-V546 PolarHBondContact O-N 3.1Å; S544-V546 PolarHBondContact O-N 3.45Å; S544-V546 VanDerWaalsContact O-N 3.16Å; V546-T557 PolarHBondContact O-N 3.49Å; V546-T557 PolarHBondContact O-OG1 3.36Å; V546-T563 HydrophobicContact CG2-CG2 3.62Å
547	L	95.2	Very high	93.2	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	153.3	-178.9	-61	-179.8	0	0	0	111.5	L493 L541 V542 V554 L555 V556	L493-L547 HydrophobicContact CD2-CD1 4.21Å; L541-L547 HydrophobicContact CB-CB 4.31Å; L541-L547 HydrophobicContact CB-CD1 3.75Å; L541-L547 HydrophobicContact CB-CG 3.88Å; L541-L547 HydrophobicContact CD1-CD1 3.51Å; L541-L547 HydrophobicContact CD1-CG 4.11Å; L541-L547 HydrophobicContact CG-CD1 4.28Å; L541-L547 PolarHBondContact O-N 3.37Å; V542-L547 HydrophobicContact CG2-CB 4.34Å; L547-V554 HydrophobicContact CB-CG1 4.47Å; L547-V554 HydrophobicContact CD1-CG1 3.83Å; L547-V554 HydrophobicContact CD2-CG1 4.22Å; L547-V554 HydrophobicContact CG-CG1 4.4Å; L547-L555 CarbonylContact C-O 3.47Å; L547-L555 WeakPolarHBondContact CA-O 3.34Å; L547-V556 HydrophobicContact CD2-CB 4.37Å; L547-V556 HydrophobicContact CD2-CG2 3.83Å
548	Q	93.8	Very high	92.9	Very high	100 Å²	100	62.4 Å²	62.4	47%	0.467	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.7	163.9	-72.1	173.5	-0.5	0	0	108.6	L555 T557	Q548-L555 PolarHBondContact N-O 3.26Å; Q548-L555 PolarHBondContact O-N 3.26Å; Q548-T557 HydrophobicContact CG-CG2 3.69Å
549	I	91.8	Very high	92.5	Very high	56 Å²	56	66.1 Å²	66.1	29%	0.287	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	110.4	178.4	-57.4	178.9	0	0	0	108	C538 V542 E553 V554	C538-I549 HydrophobicContact CB-CD1 3.82Å; V542-I549 HydrophobicContact CG2-CD1 3.8Å; V542-I549 HydrophobicContact CG2-CG1 3.83Å; I549-E553 WeakPolarHBondContact CA-O 3.48Å; I549-V554 HydrophobicContact CG1-CG2 4.36Å
550	H	88.7	Confident	92.4	Very high	105 Å²	105	62 Å²	62	49%	0.486	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	112.4	177.3	-69.3	-78.8	0	0	0	109.2	Q552 E553	H550-Q552 PolarHBondContact O-N 3.17Å; H550-E553 PolarHBondContact N-O 2.97Å; H550-E553 PolarHBondContact O-N 3.41Å
551	Q	85.1	Confident	92.3	Very high	192 Å²	192	66.7 Å²	66.7	90%	0.897	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	-101.3	-176.6	-57.9	178.6	-6	0	0	112.6
552	Q	88.1	Confident	92.2	Very high	146 Å²	146	72.1 Å²	72.1	68%	0.682	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	10.3	178.1	-65.9	-158.8	-10.3	0	0	113.4	K505 H550	K505-Q552 VanDerWaalsContact CB-O 3.24Å; K505-Q552 WeakPolarHBondContact CB-O 3.42Å; K505-Q552 PolarHBondContact N-O 3.25Å; H550-Q552 PolarHBondContact O-N 3.17Å
553	E	92.7	Very high	92.3	Very high	93 Å²	93	69.6 Å²	69.6	44%	0.435	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	141.1	178.7	-62	-169.3	159.1	0	0	111.4	S503 I549 H550	S503-E553 CarbonylContact O-C 3.55Å; S503-E553 VanDerWaalsContact O-CA 3.29Å; S503-E553 WeakPolarHBondContact O-CA 3.34Å; I549-E553 WeakPolarHBondContact CA-O 3.48Å; H550-E553 PolarHBondContact N-O 2.97Å; H550-E553 PolarHBondContact O-N 3.41Å
554	V	92.7	Very high	92.4	Very high	7 Å²	7	66.5 Å²	66.5	4%	0.042	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	118.1	174.4	-177.5	0	0	0	0	107.4	V497 S503 K505 I508 L547 I549	V497-V554 HydrophobicContact CG2-CG1 4.36Å; S503-V554 PolarHBondContact O-N 2.62Å; K505-V554 HydrophobicContact CB-CG2 4.04Å; K505-V554 HydrophobicContact CG-CG2 4.21Å; I508-V554 HydrophobicContact CD1-CB 3.59Å; I508-V554 HydrophobicContact CD1-CG1 4.24Å; I508-V554 HydrophobicContact CD1-CG2 3.8Å; L547-V554 HydrophobicContact CB-CG1 4.47Å; L547-V554 HydrophobicContact CD1-CG1 3.83Å; L547-V554 HydrophobicContact CD2-CG1 4.22Å; L547-V554 HydrophobicContact CG-CG1 4.4Å; I549-V554 HydrophobicContact CG1-CG2 4.36Å
555	L	93.2	Very high	92.6	Very high	70 Å²	70	68.5 Å²	68.5	37%	0.366	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	140	-178.8	-59	177.9	0	0	0	110	L547 Q548	L547-L555 CarbonylContact C-O 3.47Å; L547-L555 WeakPolarHBondContact CA-O 3.34Å; Q548-L555 PolarHBondContact N-O 3.26Å; Q548-L555 PolarHBondContact O-N 3.26Å
556	V	93.7	Very high	92.7	Very high	47 Å²	47	66.2 Å²	66.2	29%	0.285	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	133.4	173.9	-175.6	0	0	0	0	108.5	V497 L547 L564	V497-V556 HydrophobicContact CG1-CG2 3.8Å; L547-V556 HydrophobicContact CD2-CB 4.37Å; L547-V556 HydrophobicContact CD2-CG2 3.83Å; V556-L564 HydrophobicContact CG1-CD2 4.17Å; V556-L564 HydrophobicContact CG2-CD2 3.98Å
557	T	93.9	Very high	92.8	Very high	15 Å²	15	66.2 Å²	66.2	9%	0.092	34%	0.338	C	S	.	.			trans	-83.4	156.2	175.1	63.7	0	0	0	0	111.3	A545 V546 Q548 S559 G560	A545-T557 PolarHBondContact O-OG1 3.05Å; V546-T557 PolarHBondContact O-N 3.49Å; V546-T557 PolarHBondContact O-OG1 3.36Å; Q548-T557 HydrophobicContact CG-CG2 3.69Å; T557-S559 VanDerWaalsContact C-N 3.28Å; T557-S559 PolarHBondContact O-N 3.09Å; T557-S559 PolarHBondContact OG1-OG 3.39Å; T557-G560 WeakPolarHBondContact O-CA 3.19Å; T557-G560 PolarHBondContact O-N 3.25Å; T557-G560 PolarHBondContact OG1-N 3.42Å; T557-G560 VanDerWaalsContact OG1-N 3.1Å
558	D	90.2	Very high	92.8	Very high	151 Å²	151	66.9 Å²	66.9	81%	0.807	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-58	-39.9	177.9	-62	-35.8	0	0	0	112.5	G560 H561	D558-G560 VanDerWaalsContact C-N 3.28Å; D558-G560 PolarHBondContact O-N 2.87Å; D558-H561 PolarHBondContact O-CD2 3.44Å
559	S	88.5	Confident	92.8	Very high	88 Å²	88	63.3 Å²	63.3	62%	0.615	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-71.5	-21.1	175.4	48.9	0	0	0	0	113.6	A545 T557	A545-S559 PolarHBondContact O-OG 3.07Å; T557-S559 VanDerWaalsContact C-N 3.28Å; T557-S559 PolarHBondContact O-N 3.09Å; T557-S559 PolarHBondContact OG1-OG 3.39Å
560	G	91.9	Very high	93	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.01	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-77.3	-20.2	-174.7	0	0	0	0	0	114.6	T557 D558 R562 T563 L564	T557-G560 WeakPolarHBondContact O-CA 3.19Å; T557-G560 PolarHBondContact O-N 3.25Å; T557-G560 PolarHBondContact OG1-N 3.42Å; T557-G560 VanDerWaalsContact OG1-N 3.1Å; D558-G560 VanDerWaalsContact C-N 3.28Å; D558-G560 PolarHBondContact O-N 2.87Å; G560-R562 VanDerWaalsContact C-N 3.33Å; G560-R562 PolarHBondContact O-N 3.24Å; G560-T563 PolarHBondContact O-N 3.01Å; G560-T563 VanDerWaalsContact O-N 3.13Å; G560-L564 PolarHBondContact O-N 3.19Å
561	H	93.3	Very high	93.3	Very high	107 Å²	107	55.8 Å²	55.8	50%	0.495	29%	0.293	S	S	.	.	H	α-helix	trans	-57.7	-41	-173.7	-73.6	-63.6	0	0	0	113.7	D558 T563 L564 A565	D558-H561 PolarHBondContact O-CD2 3.44Å; H561-T563 PolarHBondContact O-N 2.96Å; H561-L564 PolarHBondContact O-N 2.82Å; H561-A565 VanDerWaalsContact O-CB 3.3Å; H561-A565 WeakPolarHBondContact O-CB 3.29Å; H561-A565 PolarHBondContact O-N 3.43Å
562	R	94.3	Very high	93.7	Very high	113 Å²	113	48.5 Å²	48.5	43%	0.426	26%	0.26	S	S	.	.	H	α-helix	trans	-61.1	-46.3	177.5	-179.1	-179.5	175.9	167.6	1.4	111.6	W401 G560 A565 F566	W401-R562 HydrophobicContact CH2-CG 4.26Å; W401-R562 HydrophobicContact CZ2-CG 3.83Å; G560-R562 VanDerWaalsContact C-N 3.33Å; G560-R562 PolarHBondContact O-N 3.24Å; R562-A565 PolarHBondContact O-N 3.35Å; R562-F566 PolarHBondContact O-N 3.23Å
563	T	96.6	Very high	94.1	Very high	12 Å²	12	41.7 Å²	41.7	7%	0.074	23%	0.228	C	C	.	.	H	α-helix	trans	-67.4	-43.3	179.5	-57.9	0	0	0	0	111.3	L405 V546 G560 H561 A565 F566 L567	L405-T563 HydrophobicContact CD1-CG2 3.9Å; L405-T563 HydrophobicContact CD2-CG2 3.86Å; V546-T563 HydrophobicContact CG2-CG2 3.62Å; G560-T563 PolarHBondContact O-N 3.01Å; G560-T563 VanDerWaalsContact O-N 3.13Å; H561-T563 PolarHBondContact O-N 2.96Å; T563-A565 PolarHBondContact O-N 3.3Å; T563-F566 PolarHBondContact O-N 3.03Å; T563-L567 HydrophobicContact CG2-CD1 3.85Å; T563-L567 HydrophobicContact CG2-CG 4.27Å; T563-L567 WeakPolarHBondContact O-CB 3.24Å; T563-L567 VanDerWaalsContact O-CG 3.24Å; T563-L567 WeakPolarHBondContact O-CG 3.29Å; T563-L567 PolarHBondContact O-N 3.35Å
564	L	95.8	Very high	94.3	Very high	16 Å²	16	37.7 Å²	37.7	8%	0.084	21%	0.209	C	C	.	.	H	α-helix	trans	-60.8	-44.9	177	-163.8	77	0	0	0	111.1	A494 V497 V556 G560 H561 F566 L567 T568	A494-L564 HydrophobicContact CB-CD1 3.52Å; A494-L564 HydrophobicContact CB-CG 4.26Å; V497-L564 HydrophobicContact CG1-CD2 4.49Å; V556-L564 HydrophobicContact CG1-CD2 4.17Å; V556-L564 HydrophobicContact CG2-CD2 3.98Å; G560-L564 PolarHBondContact O-N 3.19Å; H561-L564 PolarHBondContact O-N 2.82Å; L564-F566 PolarHBondContact O-N 3.48Å; L564-L567 PolarHBondContact O-N 2.93Å; L564-T568 PolarHBondContact O-N 3.43Å; L564-T568 PolarHBondContact O-OG1 2.92Å; L564-T568 VanDerWaalsContact O-OG1 3.1Å
565	A	95	Very high	94.4	Very high	61 Å²	61	38.3 Å²	38.3	50%	0.504	21%	0.213	S	C	.	.	H	α-helix	trans	-61.5	-43.8	176.9	0	0	0	0	0	112.3	H561 R562 T563 S569	H561-A565 VanDerWaalsContact O-CB 3.3Å; H561-A565 WeakPolarHBondContact O-CB 3.29Å; H561-A565 PolarHBondContact O-N 3.43Å; R562-A565 PolarHBondContact O-N 3.35Å; T563-A565 PolarHBondContact O-N 3.3Å; A565-S569 WeakPolarHBondContact O-CB 3.32Å; A565-S569 PolarHBondContact O-N 3.05Å
566	F	96.4	Very high	94.5	Very high	8 Å²	8	37.4 Å²	37.4	4%	0.035	21%	0.207	C	C	.	.	H	α-helix	trans	-60.1	-47	174.3	169.3	-94.9	0	0	0	112.1	Q380 W401 L402 L405 F487 R562 T563 L564 S569 I570	Q380-F566 VanDerWaalsContact NE2-CD2 3.26Å; Q380-F566 PolarHBondContact NE2-O 2.93Å; Q380-F566 VanDerWaalsContact NE2-O 3.15Å; W401-F566 HydrophobicContact CH2-CB 3.6Å; W401-F566 HydrophobicContact CH2-CD1 4.24Å; W401-F566 HydrophobicContact CH2-CD2 4.18Å; W401-F566 AromaticContact CH2-CG 3.74Å; W401-F566 HydrophobicContact CH2-CG 3.74Å; W401-F566 HydrophobicContact CZ3-CB 4.21Å; W401-F566 AromaticContact CZ3-CD2 3.99Å; W401-F566 HydrophobicContact CZ3-CD2 3.99Å; W401-F566 HydrophobicContact CZ3-CG 4.03Å; L402-F566 HydrophobicContact CD1-CD1 4.39Å; L402-F566 HydrophobicContact CD1-CD2 4.49Å; L402-F566 HydrophobicContact CD1-CE1 3.66Å; L402-F566 HydrophobicContact CD1-CE2 3.79Å; L402-F566 HydrophobicContact CD1-CZ 3.33Å; L402-F566 HydrophobicContact CD2-CE2 3.86Å; L402-F566 HydrophobicContact CD2-CZ 3.93Å; L402-F566 HydrophobicContact CG-CE2 4.49Å; L402-F566 HydrophobicContact CG-CZ 4.3Å; L405-F566 HydrophobicContact CD2-CD1 4.27Å; F487-F566 HydrophobicContact CD1-CE1 4.22Å; F487-F566 HydrophobicContact CD2-CE1 4.23Å; F487-F566 AromaticContact CE1-CE1 3.93Å; F487-F566 HydrophobicContact CE1-CE1 3.93Å; F487-F566 AromaticContact CE2-CE1 3.99Å; F487-F566 HydrophobicContact CE2-CE1 3.99Å; F487-F566 HydrophobicContact CE2-CZ 4.15Å; F487-F566 HydrophobicContact CG-CE1 4.34Å; F487-F566 AromaticContact CZ-CE1 3.85Å; F487-F566 HydrophobicContact CZ-CE1 3.85Å; F487-F566 HydrophobicContact CZ-CZ 4.29Å; R562-F566 PolarHBondContact O-N 3.23Å; T563-F566 PolarHBondContact O-N 3.03Å; L564-F566 PolarHBondContact O-N 3.48Å; F566-S569 PolarHBondContact O-N 3.13Å; F566-I570 HydrophobicContact CE1-CD1 4.31Å; F566-I570 HydrophobicContact CZ-CD1 3.96Å; F566-I570 PolarHBondContact O-N 2.91Å
567	L	97.3	Very high	94.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.3	-40.5	-178.4	-74.9	175.1	0	0	0	112.3	F487 A490 A491 A494 L541 T563 L564 I570	F487-L567 HydrophobicContact CB-CD2 3.96Å; F487-L567 HydrophobicContact CD1-CD2 3.67Å; F487-L567 HydrophobicContact CE1-CD2 4.5Å; F487-L567 HydrophobicContact CG-CD2 4.15Å; A490-L567 HydrophobicContact CB-CD1 4.02Å; A490-L567 HydrophobicContact CB-CD2 4.21Å; A491-L567 HydrophobicContact CB-CB 4.4Å; A491-L567 HydrophobicContact CB-CD2 4.24Å; A491-L567 WeakPolarHBondContact CB-O 3.38Å; A494-L567 HydrophobicContact CB-CB 3.59Å; A494-L567 HydrophobicContact CB-CD1 4.25Å; L541-L567 HydrophobicContact CD2-CD1 3.58Å; T563-L567 HydrophobicContact CG2-CD1 3.85Å; T563-L567 HydrophobicContact CG2-CG 4.27Å; T563-L567 WeakPolarHBondContact O-CB 3.24Å; T563-L567 VanDerWaalsContact O-CG 3.24Å; T563-L567 WeakPolarHBondContact O-CG 3.29Å; T563-L567 PolarHBondContact O-N 3.35Å; L564-L567 PolarHBondContact O-N 2.93Å; L567-I570 VanDerWaalsContact O-CG2 3.26Å; L567-I570 WeakPolarHBondContact O-CG2 3.31Å
568	T	95.4	Very high	94.8	Very high	16 Å²	16	34.5 Å²	34.5	10%	0.098	19%	0.189	C	C	.	.	H	α-helix	trans	-65.2	-47.4	173	-58.6	0	0	0	0	110.2	L564 I570 L571 D572	L564-T568 PolarHBondContact O-N 3.43Å; L564-T568 PolarHBondContact O-OG1 2.92Å; L564-T568 VanDerWaalsContact O-OG1 3.1Å; T568-I570 VanDerWaalsContact C-N 3.26Å; T568-I570 PolarHBondContact O-N 2.86Å; T568-L571 PolarHBondContact O-N 2.84Å; T568-D572 PolarHBondContact O-N 3.14Å; T568-D572 VanDerWaalsContact O-N 3.09Å
569	S	94.2	Very high	95.1	Very high	25 Å²	25	29.1 Å²	29.1	18%	0.175	16%	0.159	C	C	.	.	H	α-helix	trans	-63.4	-28.4	-178.3	-177	0	0	0	0	113.7	A565 F566 L571	A565-S569 WeakPolarHBondContact O-CB 3.32Å; A565-S569 PolarHBondContact O-N 3.05Å; F566-S569 PolarHBondContact O-N 3.13Å; S569-L571 PolarHBondContact O-N 2.77Å
570	I	95.4	Very high	95.4	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.015	13%	0.131	C	C	.	.	H	α-helix	trans	-67.7	-26.1	175.6	-146.1	174.5	0	0	0	112.1	R480 L484 F487 A491 F566 L567 T568	R480-I570 HydrophobicContact CG-CG1 4.5Å; R480-I570 PolarHBondContact NH1-O 3.48Å; L484-I570 HydrophobicContact CD2-CD1 3.73Å; L484-I570 HydrophobicContact CD2-CG1 3.77Å; L484-I570 HydrophobicContact CD2-CG2 4.32Å; F487-I570 HydrophobicContact CD2-CD1 4.15Å; A491-I570 HydrophobicContact CB-CG2 3.87Å; F566-I570 HydrophobicContact CE1-CD1 4.31Å; F566-I570 HydrophobicContact CZ-CD1 3.96Å; F566-I570 PolarHBondContact O-N 2.91Å; L567-I570 VanDerWaalsContact O-CG2 3.26Å; L567-I570 WeakPolarHBondContact O-CG2 3.31Å; T568-I570 VanDerWaalsContact C-N 3.26Å; T568-I570 PolarHBondContact O-N 2.86Å
571	L	95.6	Very high	95.6	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-95.2	-21.1	178.5	-79.4	-176.2	0	0	0	114.1	I488 A491 L492 F523 T568 S569 P573 F574 V575	I488-L571 HydrophobicContact CD1-CD1 4.31Å; I488-L571 HydrophobicContact CD1-CD2 3.72Å; A491-L571 VanDerWaalsContact C-CD1 3.46Å; A491-L571 HydrophobicContact CB-CD1 3.56Å; A491-L571 HydrophobicContact CB-CG 3.77Å; L492-L571 HydrophobicContact CD2-CD1 3.94Å; L492-L571 HydrophobicContact CG-CD1 4.14Å; F523-L571 HydrophobicContact CE2-CD2 3.68Å; F523-L571 HydrophobicContact CZ-CD2 3.65Å; T568-L571 PolarHBondContact O-N 2.84Å; S569-L571 PolarHBondContact O-N 2.77Å; L571-P573 VanDerWaalsContact C-CD 3.42Å; L571-P573 VanDerWaalsContact O-N 3.17Å; L571-F574 HydrophobicContact CD2-CD2 4.06Å; L571-F574 WeakPolarHBondContact O-CB 3.42Å; L571-F574 PolarHBondContact O-N 2.88Å; L571-V575 HydrophobicContact CB-CG2 4.49Å; L571-V575 PolarHBondContact O-N 3.33Å
572	D	94.5	Very high	95.8	Very high	39 Å²	39	20 Å²	20	21%	0.209	11%	0.107	C	C	.	.	H	α-helix	trans	-44.6	-46.6	-179.8	-87.6	12.2	0	0	0	115.3	T568 F574 V575 Q576 Y617	T568-D572 PolarHBondContact O-N 3.14Å; T568-D572 VanDerWaalsContact O-N 3.09Å; D572-F574 PolarHBondContact O-N 3.44Å; D572-V575 PolarHBondContact O-N 3.39Å; D572-Q576 WeakPolarHBondContact O-CB 3.39Å; D572-Q576 WeakPolarHBondContact O-CG 3.46Å; D572-Q576 PolarHBondContact O-N 3.36Å; D572-Y617 HydrophobicContact CB-CE1 4.39Å; D572-Y617 HydrophobicContact CB-CE2 3.56Å; D572-Y617 VanDerWaalsContact CB-CZ 3.48Å; D572-Y617 VanDerWaalsContact CB-OH 3.28Å; D572-Y617 WeakPolarHBondContact CB-OH 3.38Å; D572-Y617 PolarHBondContact OD2-OH 3.47Å
573	P	95.7	Very high	95.8	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.019	10%	0.099	C	C	.	.	H	α-helix	trans	-60	-33.6	-179.9	-21	30.5	0	0	0	112.9	L571 G577 Y617 E619	L571-P573 VanDerWaalsContact C-CD 3.42Å; L571-P573 VanDerWaalsContact O-N 3.17Å; P573-G577 PolarHBondContact O-N 3.06Å; P573-Y617 HydrophobicContact CB-CD1 4.19Å; P573-Y617 HydrophobicContact CB-CG 4.03Å; P573-Y617 HydrophobicContact CG-CD1 3.65Å; P573-Y617 HydrophobicContact CG-CE1 3.94Å; P573-Y617 HydrophobicContact CG-CG 3.98Å; P573-E619 HydrophobicContact CB-CB 4.15Å
574	F	96.7	Very high	95.8	Very high	8 Å²	8	17.5 Å²	17.5	4%	0.035	10%	0.096	C	C	.	.	H	α-helix	trans	-77.2	-44.3	178.7	-54.3	-80.5	0	0	0	110.9	L484 F519 E522 F523 L571 D572 G577 Y578 L625	L484-F574 HydrophobicContact CD1-CE2 3.97Å; L484-F574 HydrophobicContact CD1-CZ 3.77Å; F519-F574 HydrophobicContact CD1-CB 4.42Å; F519-F574 HydrophobicContact CE1-CB 3.82Å; F519-F574 HydrophobicContact CZ-CB 4.26Å; E522-F574 HydrophobicContact CG-CD1 3.65Å; E522-F574 HydrophobicContact CG-CE1 3.99Å; E522-F574 HydrophobicContact CG-CG 4.38Å; E522-F574 VanDerWaalsContact OE1-CD1 3.29Å; E522-F574 WeakPolarHBondContact OE1-CD1 3.47Å; E522-F574 WeakPolarHBondContact OE1-CE1 3.39Å; F523-F574 HydrophobicContact CE1-CE1 4.34Å; F523-F574 HydrophobicContact CE1-CE2 4.23Å; F523-F574 HydrophobicContact CE1-CZ 4.1Å; F523-F574 HydrophobicContact CZ-CD1 4.16Å; F523-F574 AromaticContact CZ-CD2 3.82Å; F523-F574 HydrophobicContact CZ-CD2 3.82Å; F523-F574 HydrophobicContact CZ-CE1 4.24Å; F523-F574 AromaticContact CZ-CE2 3.89Å; F523-F574 HydrophobicContact CZ-CE2 3.89Å; F523-F574 AromaticContact CZ-CG 3.94Å; F523-F574 HydrophobicContact CZ-CG 3.94Å; F523-F574 HydrophobicContact CZ-CZ 4.1Å; L571-F574 HydrophobicContact CD2-CD2 4.06Å; L571-F574 WeakPolarHBondContact O-CB 3.42Å; L571-F574 PolarHBondContact O-N 2.88Å; D572-F574 PolarHBondContact O-N 3.44Å; F574-G577 PolarHBondContact O-N 3.08Å; F574-Y578 WeakPolarHBondContact O-CB 3.47Å; F574-Y578 VanDerWaalsContact O-CD2 3.26Å; F574-Y578 WeakPolarHBondContact O-CD2 3.47Å; F574-Y578 PolarHBondContact O-N 3.23Å; F574-L625 HydrophobicContact CD1-CD1 4.01Å
575	V	95.8	Very high	95.8	Very high	21 Å²	21	16.9 Å²	16.9	13%	0.127	9%	0.093	C	C	.	.	H	α-helix	trans	-59.9	-52.2	176.5	177.9	0	0	0	0	110.7	F519 L571 D572 G577 Y578 Q579 L665	F519-V575 HydrophobicContact CE2-CG2 4.04Å; F519-V575 HydrophobicContact CZ-CB 4.42Å; F519-V575 HydrophobicContact CZ-CG2 3.73Å; L571-V575 HydrophobicContact CB-CG2 4.49Å; L571-V575 PolarHBondContact O-N 3.33Å; D572-V575 PolarHBondContact O-N 3.39Å; V575-G577 PolarHBondContact O-N 3.28Å; V575-Y578 PolarHBondContact O-N 2.86Å; V575-Q579 WeakPolarHBondContact O-CB 3.46Å; V575-Q579 PolarHBondContact O-N 2.83Å; V575-L665 HydrophobicContact CG1-CD2 4.45Å; V575-L665 WeakPolarHBondContact CG1-O 3.39Å
576	Q	94.1	Very high	95.5	Very high	50 Å²	50	16 Å²	16	23%	0.234	8%	0.082	C	C	.	.	H	α-helix	trans	-64.7	-39.7	178.5	-69.4	-165.9	13.8	0	0	112.1	D572 Q579 M580 L615 Y617	D572-Q576 WeakPolarHBondContact O-CB 3.39Å; D572-Q576 WeakPolarHBondContact O-CG 3.46Å; D572-Q576 PolarHBondContact O-N 3.36Å; Q576-Q579 PolarHBondContact O-N 3.47Å; Q576-M580 WeakPolarHBondContact O-CB 3.39Å; Q576-M580 VanDerWaalsContact O-CG 3.28Å; Q576-M580 WeakPolarHBondContact O-CG 3.42Å; Q576-M580 PolarHBondContact O-N 3.2Å; Q576-L615 HydrophobicContact CB-CD1 4.47Å; Q576-Y617 HydrophobicContact CB-CD2 4.44Å; Q576-Y617 HydrophobicContact CG-CD2 4.31Å; Q576-Y617 HydrophobicContact CG-CE2 4.36Å
577	G	96.5	Very high	95.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.5	-46.1	177	0	0	0	0	0	112.3	P573 F574 V575 M580 V581	P573-G577 PolarHBondContact O-N 3.06Å; F574-G577 PolarHBondContact O-N 3.08Å; V575-G577 PolarHBondContact O-N 3.28Å; G577-M580 PolarHBondContact O-N 3.23Å; G577-V581 WeakPolarHBondContact O-CG2 3.29Å; G577-V581 PolarHBondContact O-N 3.02Å
578	Y	97.6	Very high	94.6	Very high	1 Å²	1	25.4 Å²	25.4	0%	0.004	13%	0.127	C	C	.	.	H	α-helix	trans	-65.6	-43.1	176.9	-85.4	-131.7	0	0	0	111.7	M518 F519 E522 F574 V575 M580 V581 C582 L625 N628 A629 A632	M518-Y578 HydrophobicContact CE-CD1 3.45Å; M518-Y578 VanDerWaalsContact CE-CD1 3.45Å; M518-Y578 HydrophobicContact CE-CE1 4.02Å; M518-Y578 HydrophobicContact CG-CD1 3.8Å; M518-Y578 HydrophobicContact CG-CE1 4.13Å; M518-Y578 HydrophobicContact SD-CD1 4.39Å; F519-Y578 HydrophobicContact CD1-CD1 4.17Å; F519-Y578 HydrophobicContact CD1-CD2 4.5Å; F519-Y578 AromaticContact CD1-CE1 3.91Å; F519-Y578 HydrophobicContact CD1-CE1 3.91Å; F519-Y578 HydrophobicContact CD1-CE2 4.23Å; F519-Y578 HydrophobicContact CD1-CG 4.49Å; F519-Y578 AromaticContact CD1-CZ 3.95Å; F519-Y578 AromaticContact CE1-CD1 3.84Å; F519-Y578 HydrophobicContact CE1-CD1 3.84Å; F519-Y578 AromaticContact CE1-CD2 3.95Å; F519-Y578 HydrophobicContact CE1-CD2 3.95Å; F519-Y578 HydrophobicContact CE1-CE1 4.05Å; F519-Y578 HydrophobicContact CE1-CE2 4.13Å; F519-Y578 AromaticContact CE1-CG 3.82Å; F519-Y578 HydrophobicContact CE1-CG 3.82Å; E522-Y578 PolarHBondContact OE2-OH 3.18Å; F574-Y578 WeakPolarHBondContact O-CB 3.47Å; F574-Y578 VanDerWaalsContact O-CD2 3.26Å; F574-Y578 WeakPolarHBondContact O-CD2 3.47Å; F574-Y578 PolarHBondContact O-N 3.23Å; V575-Y578 PolarHBondContact O-N 2.86Å; Y578-M580 VanDerWaalsContact C-N 3.34Å; Y578-M580 PolarHBondContact O-N 3.35Å; Y578-V581 WeakPolarHBondContact O-CB 3.42Å; Y578-V581 PolarHBondContact O-N 3.43Å; Y578-C582 PolarHBondContact O-N 3.45Å; Y578-C582 VanDerWaalsContact O-N 3.08Å; Y578-C582 PolarHBondContact O-SG 3.48Å; Y578-L625 HydrophobicContact CD2-CD2 4.22Å; Y578-L625 HydrophobicContact CD2-CG 4.42Å; Y578-L625 HydrophobicContact CE2-CD2 4.45Å; Y578-L625 HydrophobicContact CE2-CG 4.29Å; Y578-N628 VanDerWaalsContact OH-CB 3.31Å; Y578-N628 WeakPolarHBondContact OH-CB 3.38Å; Y578-N628 PolarHBondContact OH-O 3.38Å; Y578-A629 HydrophobicContact CD1-CB 4.17Å; Y578-A629 HydrophobicContact CD2-CB 3.79Å; Y578-A629 HydrophobicContact CE1-CB 4.14Å; Y578-A629 HydrophobicContact CE2-CB 3.77Å; Y578-A629 HydrophobicContact CG-CB 3.98Å; Y578-A629 PolarHBondContact OH-N 3.09Å; Y578-A632 HydrophobicContact CE1-CB 3.98Å
579	Q	95.9	Very high	93.9	Very high	39 Å²	39	26 Å²	26	18%	0.182	13%	0.134	C	C	.	.	H	α-helix	trans	-59.3	-44.7	175.7	-172.5	-175.7	32	0	0	111.5	V575 Q576 V581 C582 R583 E662 L665	V575-Q579 WeakPolarHBondContact O-CB 3.46Å; V575-Q579 PolarHBondContact O-N 2.83Å; Q576-Q579 PolarHBondContact O-N 3.47Å; Q579-V581 VanDerWaalsContact C-N 3.34Å; Q579-V581 PolarHBondContact O-N 2.96Å; Q579-C582 WeakPolarHBondContact O-CB 3.46Å; Q579-C582 PolarHBondContact O-N 3.45Å; Q579-C582 VanDerWaalsContact O-N 3.15Å; Q579-R583 PolarHBondContact O-N 3.42Å; Q579-E662 HydrophobicContact CG-CG 3.63Å; Q579-E662 PolarHBondContact NE2-O 3.46Å; Q579-L665 HydrophobicContact CB-CB 4.18Å; Q579-L665 HydrophobicContact CG-CB 4.44Å
580	M	95.3	Very high	93.2	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.02	15%	0.15	C	C	.	.	H	α-helix	trans	-69.9	-29	178.9	-74.4	-62.9	-67	0	0	113.3	Q576 G577 Y578 R583 F584 F605 F606 H609 L615	Q576-M580 WeakPolarHBondContact O-CB 3.39Å; Q576-M580 VanDerWaalsContact O-CG 3.28Å; Q576-M580 WeakPolarHBondContact O-CG 3.42Å; Q576-M580 PolarHBondContact O-N 3.2Å; G577-M580 PolarHBondContact O-N 3.23Å; Y578-M580 VanDerWaalsContact C-N 3.34Å; Y578-M580 PolarHBondContact O-N 3.35Å; M580-R583 PolarHBondContact O-N 2.89Å; M580-F584 WeakPolarHBondContact O-CB 3.28Å; M580-F584 PolarHBondContact O-N 3.29Å; M580-F605 HydrophobicContact CE-CD1 4.16Å; M580-F605 HydrophobicContact CE-CE1 3.48Å; M580-F605 VanDerWaalsContact CE-CE1 3.48Å; M580-F605 HydrophobicContact CE-CZ 4.17Å; M580-F606 HydrophobicContact CB-CD1 4.2Å; M580-F606 HydrophobicContact CB-CE1 3.38Å; M580-F606 HydrophobicContact CB-CZ 3.66Å; M580-H609 HydrophobicContact CE-CB 3.99Å; M580-L615 HydrophobicContact CG-CD1 3.54Å; M580-L615 HydrophobicContact SD-CD1 4.25Å
581	V	97.3	Very high	92.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.1	-44.6	168.3	166.7	0	0	0	0	110.4	G577 Y578 Q579 R583 F584 L585 F598 V602 F606 A629 L633	G577-V581 WeakPolarHBondContact O-CG2 3.29Å; G577-V581 PolarHBondContact O-N 3.02Å; Y578-V581 WeakPolarHBondContact O-CB 3.42Å; Y578-V581 PolarHBondContact O-N 3.43Å; Q579-V581 VanDerWaalsContact C-N 3.34Å; Q579-V581 PolarHBondContact O-N 2.96Å; V581-R583 VanDerWaalsContact C-N 3.34Å; V581-R583 PolarHBondContact O-N 3Å; V581-F584 PolarHBondContact O-N 2.95Å; V581-L585 HydrophobicContact CG1-CD1 4.15Å; V581-L585 WeakPolarHBondContact O-CG 3.48Å; V581-L585 PolarHBondContact O-N 3.44Å; V581-F598 HydrophobicContact CG1-CE2 4.3Å; V581-F598 HydrophobicContact CG1-CZ 3.72Å; V581-V602 HydrophobicContact CG2-CG1 4.04Å; V581-F606 HydrophobicContact CG2-CZ 3.81Å; V581-A629 HydrophobicContact CB-CB 4.19Å; V581-A629 HydrophobicContact CG1-CB 4.15Å; V581-A629 HydrophobicContact CG2-CB 3.92Å; V581-L633 HydrophobicContact CG1-CD1 3.93Å
582	C	96.7	Very high	91.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.5	-46.3	175.3	-66.4	0	0	0	0	111.2	Y578 Q579 F584 L585 C586 V658 E662	Y578-C582 PolarHBondContact O-N 3.45Å; Y578-C582 VanDerWaalsContact O-N 3.08Å; Y578-C582 PolarHBondContact O-SG 3.48Å; Q579-C582 WeakPolarHBondContact O-CB 3.46Å; Q579-C582 PolarHBondContact O-N 3.45Å; Q579-C582 VanDerWaalsContact O-N 3.15Å; C582-F584 PolarHBondContact O-N 3.33Å; C582-L585 PolarHBondContact O-N 2.95Å; C582-L585 VanDerWaalsContact O-N 3.16Å; C582-C586 PolarHBondContact O-N 2.97Å; C582-C586 VanDerWaalsContact O-N 3.13Å; C582-C586 PolarHBondContact O-SG 2.96Å; C582-V658 HydrophobicContact CB-CG1 3.61Å; C582-V658 VanDerWaalsContact O-CG1 3.29Å; C582-V658 WeakPolarHBondContact O-CG1 3.48Å; C582-E662 HydrophobicContact CB-CB 3.8Å; C582-E662 HydrophobicContact CB-CG 4.25Å
583	R	94.8	Very high	91.4	Very high	66 Å²	66	40.8 Å²	40.8	25%	0.249	21%	0.211	C	C	.	.	H	α-helix	trans	-58.8	-47.1	176.5	-172.6	172.9	-62.5	158.3	4.5	112.8	Q579 M580 V581 L585 C586 E587 F605 E662	Q579-R583 PolarHBondContact O-N 3.42Å; M580-R583 PolarHBondContact O-N 2.89Å; V581-R583 VanDerWaalsContact C-N 3.34Å; V581-R583 PolarHBondContact O-N 3Å; R583-L585 VanDerWaalsContact C-N 3.27Å; R583-L585 PolarHBondContact O-N 3.42Å; R583-C586 PolarHBondContact O-N 2.89Å; R583-E587 WeakPolarHBondContact CD-OE1 3.39Å; R583-E587 HydrophobicContact CG-CG 4.08Å; R583-E587 WeakPolarHBondContact CG-OE1 3.26Å; R583-E587 WeakPolarHBondContact O-CB 3.43Å; R583-E587 PolarHBondContact O-N 3.25Å; R583-F605 HydrophobicContact CG-CZ 4.24Å; R583-E662 IonicContact CZ-OE1 3.3Å; R583-E662 VanDerWaalsContact CZ-OE1 3.3Å; R583-E662 IonicContact NE-OE1 2.88Å; R583-E662 PolarHBondContact NE-OE1 3.13Å; R583-E662 IonicContact NH2-OE1 3.91Å; R583-E662 PolarHBondContact NH2-OE1 3.39Å
584	F	96.2	Very high	91.2	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-54.6	-45.1	175	165.8	-100.4	0	0	0	111.8	M580 V581 C582 C586 E587 E588 A589 L593 F598 A601 V602 F605	M580-F584 WeakPolarHBondContact O-CB 3.28Å; M580-F584 PolarHBondContact O-N 3.29Å; V581-F584 PolarHBondContact O-N 2.95Å; C582-F584 PolarHBondContact O-N 3.33Å; F584-C586 PolarHBondContact O-N 3.2Å; F584-E587 PolarHBondContact O-N 2.99Å; F584-E588 HydrophobicContact CD2-CB 3.96Å; F584-E588 HydrophobicContact CE2-CB 3.95Å; F584-E588 PolarHBondContact O-N 2.91Å; F584-A589 HydrophobicContact CE1-CB 4.47Å; F584-A589 PolarHBondContact O-N 3.48Å; F584-A589 VanDerWaalsContact O-N 3.13Å; F584-L593 HydrophobicContact CE1-CD2 3.89Å; F584-L593 HydrophobicContact CZ-CD2 4.29Å; F584-F598 HydrophobicContact CE1-CD2 4.49Å; F584-F598 HydrophobicContact CE1-CE2 4.47Å; F584-A601 HydrophobicContact CE2-CB 4.08Å; F584-A601 HydrophobicContact CZ-CB 3.59Å; F584-V602 HydrophobicContact CD1-CG2 3.42Å; F584-V602 VanDerWaalsContact CD1-CG2 3.42Å; F584-V602 HydrophobicContact CE1-CG2 3.6Å; F584-V602 HydrophobicContact CG-CG2 4Å; F584-V602 HydrophobicContact CZ-CG2 4.3Å; F584-F605 HydrophobicContact CB-CD1 3.66Å; F584-F605 HydrophobicContact CB-CE1 3.85Å; F584-F605 HydrophobicContact CB-CG 4.21Å; F584-F605 HydrophobicContact CD2-CB 3.77Å; F584-F605 HydrophobicContact CD2-CD1 4.18Å; F584-F605 HydrophobicContact CD2-CD2 4.28Å; F584-F605 AromaticContact CD2-CG 3.85Å; F584-F605 HydrophobicContact CD2-CG 3.85Å; F584-F605 HydrophobicContact CE2-CB 4.42Å; F584-F605 HydrophobicContact CG-CD1 4.36Å; F584-F605 HydrophobicContact CG-CG 4.47Å
585	L	95.3	Very high	90.8	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-66.6	-23	179.9	-72.6	173.7	0	0	0	113.4	V581 C582 R583 A589 L593 F598 L633 V639 V653 V658	V581-L585 HydrophobicContact CG1-CD1 4.15Å; V581-L585 WeakPolarHBondContact O-CG 3.48Å; V581-L585 PolarHBondContact O-N 3.44Å; C582-L585 PolarHBondContact O-N 2.95Å; C582-L585 VanDerWaalsContact O-N 3.16Å; R583-L585 VanDerWaalsContact C-N 3.27Å; R583-L585 PolarHBondContact O-N 3.42Å; L585-A589 HydrophobicContact CD2-CB 4.01Å; L585-A589 WeakPolarHBondContact O-CB 3.28Å; L585-L593 HydrophobicContact CD2-CD2 4.09Å; L585-F598 HydrophobicContact CD2-CD2 4.47Å; L585-F598 HydrophobicContact CD2-CE2 4Å; L585-F598 HydrophobicContact CG-CE2 4.4Å; L585-L633 HydrophobicContact CD1-CD1 3.46Å; L585-L633 VanDerWaalsContact CD1-CD1 3.46Å; L585-V639 HydrophobicContact CD1-CG2 3.82Å; L585-V653 HydrophobicContact CB-CG1 4.17Å; L585-V653 HydrophobicContact CB-CG2 4.49Å; L585-V653 HydrophobicContact CD2-CG2 3.94Å; L585-V658 HydrophobicContact CB-CG1 4.18Å
586	C	89.7	Confident	90.5	Very high	41 Å²	41	51.5 Å²	51.5	28%	0.277	27%	0.267	S	S	.	.	H	α-helix	trans	-89.7	-35.6	176.2	-69	0	0	0	0	113.2	C582 R583 F584 V658 N659	C582-C586 PolarHBondContact O-N 2.97Å; C582-C586 VanDerWaalsContact O-N 3.13Å; C582-C586 PolarHBondContact O-SG 2.96Å; R583-C586 PolarHBondContact O-N 2.89Å; F584-C586 PolarHBondContact O-N 3.2Å; C586-V658 WeakPolarHBondContact SG-CG1 3.49Å; C586-N659 PolarHBondContact SG-OD1 3.15Å
587	E	89	Confident	90.4	Very high	121 Å²	121	54 Å²	54	57%	0.565	28%	0.279	S	S	*	.	H	α-helix	trans	-95.5	-41	-171.9	-67.3	179.6	-178.6	0	0	114	R583 F584	R583-E587 WeakPolarHBondContact CD-OE1 3.39Å; R583-E587 HydrophobicContact CG-CG 4.08Å; R583-E587 WeakPolarHBondContact CG-OE1 3.26Å; R583-E587 WeakPolarHBondContact O-CB 3.43Å; R583-E587 PolarHBondContact O-N 3.25Å; F584-E587 PolarHBondContact O-N 2.99Å
588	E	85.4	Confident	90.3	Very high	85 Å²	85	54.1 Å²	54.1	40%	0.397	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-8	-167.1	-65.9	-163.5	-179.4	0	0	114.1	F584 T590 F605 K608	F584-E588 HydrophobicContact CD2-CB 3.96Å; F584-E588 HydrophobicContact CE2-CB 3.95Å; F584-E588 PolarHBondContact O-N 2.91Å; E588-T590 PolarHBondContact O-N 3.25Å; E588-F605 HydrophobicContact CG-CD2 4.1Å; E588-F605 HydrophobicContact CG-CE2 4.06Å; E588-F605 WeakPolarHBondContact OE1-CD2 3.32Å; E588-F605 WeakPolarHBondContact OE2-CD2 3.44Å; E588-K608 IonicContact OE1-NZ 3.22Å; E588-K608 PolarHBondContact OE1-NZ 3.19Å
589	A	80.9	Confident	90.2	Very high	30 Å²	30	55 Å²	55	25%	0.248	28%	0.284	C	S	.	.			trans	-70.7	118.6	178.1	0	0	0	0	0	112	F584 L585 L593	F584-A589 HydrophobicContact CE1-CB 4.47Å; F584-A589 PolarHBondContact O-N 3.48Å; F584-A589 VanDerWaalsContact O-N 3.13Å; L585-A589 HydrophobicContact CD2-CB 4.01Å; L585-A589 WeakPolarHBondContact O-CB 3.28Å; A589-L593 HydrophobicContact CB-CD2 3.94Å
590	T	78.7	Confident	90.1	Very high	84 Å²	84	56.7 Å²	56.7	52%	0.515	30%	0.299	S	S	.	.			trans	-76.4	156.3	172.4	61.7	0	0	0	0	110.9	E588 T592 L593	E588-T590 PolarHBondContact O-N 3.25Å; T590-T592 PolarHBondContact O-N 2.86Å; T590-T592 PolarHBondContact OG1-OG1 2.75Å; T590-L593 WeakPolarHBondContact O-CB 3.34Å; T590-L593 PolarHBondContact O-N 3.27Å; T590-L593 VanDerWaalsContact O-N 3.07Å
591	E	77.1	Confident	90.1	Very high	187 Å²	187	57.9 Å²	57.9	87%	0.874	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-17	173.8	-63.3	-172.2	163.1	0	0	113.2	T650	E591-T650 WeakPolarHBondContact O-CG2 3.44Å
592	T	82.5	Confident	90.1	Very high	98 Å²	98	57.9 Å²	57.9	60%	0.601	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	4.2	-180	55.6	0	0	0	0	114.2	T590 T594	T590-T592 PolarHBondContact O-N 2.86Å; T590-T592 PolarHBondContact OG1-OG1 2.75Å; T592-T594 PolarHBondContact O-N 3.38Å; T592-T594 VanDerWaalsContact O-N 3.15Å
593	L	89.3	Confident	90.1	Very high	8 Å²	8	59.2 Å²	59.2	4%	0.042	32%	0.315	C	S	.	.			trans	-61.9	118.6	-176.9	-178.4	66	0	0	0	111.1	F584 L585 A589 T590 Q597 F598 A601 L651	F584-L593 HydrophobicContact CE1-CD2 3.89Å; F584-L593 HydrophobicContact CZ-CD2 4.29Å; L585-L593 HydrophobicContact CD2-CD2 4.09Å; A589-L593 HydrophobicContact CB-CD2 3.94Å; T590-L593 WeakPolarHBondContact O-CB 3.34Å; T590-L593 PolarHBondContact O-N 3.27Å; T590-L593 VanDerWaalsContact O-N 3.07Å; L593-Q597 HydrophobicContact CD1-CB 4.2Å; L593-F598 HydrophobicContact CD2-CD2 4.15Å; L593-A601 HydrophobicContact CD1-CB 4.35Å; L593-L651 HydrophobicContact CD2-CD1 4.43Å; L593-L651 HydrophobicContact CG-CD1 4.46Å; L593-L651 PolarHBondContact O-N 3.2Å
594	T	90.4	Very high	90.1	Very high	34 Å²	34	63.9 Å²	63.9	21%	0.209	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-96.3	157.5	176.4	64	0	0	0	0	112.3	T592 N596 Q597 F598 G649	T592-T594 PolarHBondContact O-N 3.38Å; T592-T594 VanDerWaalsContact O-N 3.15Å; T594-N596 PolarHBondContact O-N 3.47Å; T594-Q597 PolarHBondContact O-N 3.39Å; T594-Q597 VanDerWaalsContact OG1-CG 3.31Å; T594-Q597 WeakPolarHBondContact OG1-CG 3.34Å; T594-Q597 PolarHBondContact OG1-N 2.88Å; T594-Q597 PolarHBondContact OG1-OE1 2.92Å; T594-F598 PolarHBondContact O-N 3.06Å; T594-G649 WeakPolarHBondContact CA-O 3.36Å
595	E	88.6	Confident	90	Very high	76 Å²	76	63.6 Å²	63.6	36%	0.355	34%	0.336	S	S	.	.	H	α-helix	trans	-56	-36	176.3	-173.1	177.5	-170.6	0	0	113	Q597 F598 L630 K641 G649 L651	E595-Q597 VanDerWaalsContact C-N 3.33Å; E595-Q597 PolarHBondContact O-N 3.42Å; E595-F598 WeakPolarHBondContact O-CB 3.47Å; E595-F598 PolarHBondContact O-N 3.08Å; E595-L630 HydrophobicContact CG-CD2 4.28Å; E595-K641 WeakPolarHBondContact OE2-CE 3.4Å; E595-K641 IonicContact OE2-NZ 2.73Å; E595-K641 PolarHBondContact OE2-NZ 2.9Å; E595-G649 PolarHBondContact N-O 2.92Å; E595-L651 HydrophobicContact CB-CD2 4.4Å
596	N	88.7	Confident	90.1	Very high	147 Å²	147	63.4 Å²	63.4	79%	0.786	34%	0.335	S	S	*	.	H	α-helix	trans	-70.7	-29.3	178.8	-70	-24.6	0	0	0	112.9	T594	T594-N596 PolarHBondContact O-N 3.47Å
597	Q	92.3	Very high	90.4	Very high	104 Å²	104	62.1 Å²	62.1	49%	0.486	33%	0.325	S	S	.	.	H	α-helix	trans	-88.3	-18.7	179.6	-70.7	166.3	-26.6	0	0	112.9	L593 T594 E595 V599 P600 A601	L593-Q597 HydrophobicContact CD1-CB 4.2Å; T594-Q597 PolarHBondContact O-N 3.39Å; T594-Q597 VanDerWaalsContact OG1-CG 3.31Å; T594-Q597 WeakPolarHBondContact OG1-CG 3.34Å; T594-Q597 PolarHBondContact OG1-N 2.88Å; T594-Q597 PolarHBondContact OG1-OE1 2.92Å; E595-Q597 VanDerWaalsContact C-N 3.33Å; E595-Q597 PolarHBondContact O-N 3.42Å; Q597-V599 PolarHBondContact O-N 3.02Å; Q597-P600 VanDerWaalsContact O-CD 3.3Å; Q597-P600 WeakPolarHBondContact O-CD 3.34Å; Q597-A601 WeakPolarHBondContact O-CB 3.32Å; Q597-A601 PolarHBondContact O-N 2.92Å
598	F	94.8	Very high	90.7	Very high	1 Å²	1	61.6 Å²	61.6	0%	0.004	32%	0.321	C	S	.	.	H	α-helix	trans	-52.2	-55	-175.9	176.7	-93.5	0	0	0	113.1	V581 F584 L585 L593 T594 E595 A601 V602 Q626 L630 L651	V581-F598 HydrophobicContact CG1-CE2 4.3Å; V581-F598 HydrophobicContact CG1-CZ 3.72Å; F584-F598 HydrophobicContact CE1-CD2 4.49Å; F584-F598 HydrophobicContact CE1-CE2 4.47Å; L585-F598 HydrophobicContact CD2-CD2 4.47Å; L585-F598 HydrophobicContact CD2-CE2 4Å; L585-F598 HydrophobicContact CG-CE2 4.4Å; L593-F598 HydrophobicContact CD2-CD2 4.15Å; T594-F598 PolarHBondContact O-N 3.06Å; E595-F598 WeakPolarHBondContact O-CB 3.47Å; E595-F598 PolarHBondContact O-N 3.08Å; F598-A601 PolarHBondContact O-N 2.89Å; F598-V602 HydrophobicContact CD1-CG2 4.25Å; F598-V602 HydrophobicContact CD2-CG2 4.13Å; F598-V602 HydrophobicContact CE1-CG2 3.88Å; F598-V602 HydrophobicContact CE2-CG2 3.74Å; F598-V602 HydrophobicContact CG-CG2 4.37Å; F598-V602 HydrophobicContact CZ-CG2 3.62Å; F598-V602 WeakPolarHBondContact O-CB 3.43Å; F598-V602 WeakPolarHBondContact O-CG2 3.39Å; F598-V602 PolarHBondContact O-N 3.41Å; F598-Q626 HydrophobicContact CE1-CB 4.4Å; F598-Q626 WeakPolarHBondContact CE1-O 3.31Å; F598-L630 HydrophobicContact CB-CD2 4.33Å; F598-L630 HydrophobicContact CD1-CB 4.22Å; F598-L630 HydrophobicContact CD1-CD2 3.77Å; F598-L630 HydrophobicContact CD1-CG 4.49Å; F598-L630 HydrophobicContact CD2-CD1 4.29Å; F598-L630 HydrophobicContact CD2-CD2 4.28Å; F598-L630 HydrophobicContact CE1-CB 3.7Å; F598-L630 HydrophobicContact CE1-CD2 4.13Å; F598-L630 HydrophobicContact CE1-CG 4.37Å; F598-L630 HydrophobicContact CE2-CB 4.49Å; F598-L630 HydrophobicContact CE2-CD1 4.08Å; F598-L630 HydrophobicContact CG-CD2 3.86Å; F598-L630 HydrophobicContact CZ-CB 3.84Å; F598-L630 HydrophobicContact CZ-CD1 4.27Å; F598-L630 HydrophobicContact CZ-CG 4.42Å; F598-L651 HydrophobicContact CB-CD1 4.16Å; F598-L651 HydrophobicContact CD2-CD1 3.95Å; F598-L651 HydrophobicContact CG-CD1 4.33Å
599	V	95.4	Very high	91.2	Very high	19 Å²	19	59.2 Å²	59.2	12%	0.115	31%	0.31	C	S	.	.	H	α-helix	trans	-62.6	-49.6	-176.8	168.5	0	0	0	0	112	Q597 A601 R603 Q626 K627	Q597-V599 PolarHBondContact O-N 3.02Å; V599-A601 VanDerWaalsContact C-N 3.32Å; V599-A601 PolarHBondContact O-N 3.06Å; V599-R603 VanDerWaalsContact CG1-NH2 3.35Å; V599-R603 WeakPolarHBondContact O-CB 2.7Å; V599-R603 PolarHBondContact O-N 3.35Å; V599-Q626 HydrophobicContact CG2-CB 4.45Å; V599-Q626 PolarHBondContact O-OE1 3.08Å; V599-K627 HydrophobicContact CG2-CG 3.81Å
600	P	94.8	Very high	91.8	Very high	75 Å²	75	58.9 Å²	58.9	49%	0.487	30%	0.303	S	S	.	.	H	α-helix	trans	-54.7	-42.9	172.4	-27.9	33.7	0	0	0	114.3	Q597 K604	Q597-P600 VanDerWaalsContact O-CD 3.3Å; Q597-P600 WeakPolarHBondContact O-CD 3.34Å; P600-K604 PolarHBondContact O-N 3.49Å; P600-K604 VanDerWaalsContact O-N 3.14Å
601	A	95.4	Very high	92.5	Very high	30 Å²	30	58.6 Å²	58.6	25%	0.248	30%	0.298	C	S	.	.	H	α-helix	trans	-68.3	-49.1	-177.8	0	0	0	0	0	112.2	F584 L593 Q597 F598 V599 R603 K604 F605	F584-A601 HydrophobicContact CE2-CB 4.08Å; F584-A601 HydrophobicContact CZ-CB 3.59Å; L593-A601 HydrophobicContact CD1-CB 4.35Å; Q597-A601 WeakPolarHBondContact O-CB 3.32Å; Q597-A601 PolarHBondContact O-N 2.92Å; F598-A601 PolarHBondContact O-N 2.89Å; V599-A601 VanDerWaalsContact C-N 3.32Å; V599-A601 PolarHBondContact O-N 3.06Å; A601-R603 VanDerWaalsContact C-N 3.29Å; A601-R603 PolarHBondContact O-N 3.4Å; A601-K604 WeakPolarHBondContact O-CB 3.36Å; A601-K604 PolarHBondContact O-N 3.14Å; A601-F605 PolarHBondContact O-N 3.24Å; A601-F605 VanDerWaalsContact O-N 3.08Å
602	V	96.3	Very high	93.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-58	-42.5	175.4	170.9	0	0	0	0	111.1	V581 F584 F598 K604 F605 F606 Q626	V581-V602 HydrophobicContact CG2-CG1 4.04Å; F584-V602 HydrophobicContact CD1-CG2 3.42Å; F584-V602 VanDerWaalsContact CD1-CG2 3.42Å; F584-V602 HydrophobicContact CE1-CG2 3.6Å; F584-V602 HydrophobicContact CG-CG2 4Å; F584-V602 HydrophobicContact CZ-CG2 4.3Å; F598-V602 HydrophobicContact CD1-CG2 4.25Å; F598-V602 HydrophobicContact CD2-CG2 4.13Å; F598-V602 HydrophobicContact CE1-CG2 3.88Å; F598-V602 HydrophobicContact CE2-CG2 3.74Å; F598-V602 HydrophobicContact CG-CG2 4.37Å; F598-V602 HydrophobicContact CZ-CG2 3.62Å; F598-V602 WeakPolarHBondContact O-CB 3.43Å; F598-V602 WeakPolarHBondContact O-CG2 3.39Å; F598-V602 PolarHBondContact O-N 3.41Å; V602-K604 PolarHBondContact O-N 3.35Å; V602-F605 WeakPolarHBondContact O-CB 3.45Å; V602-F605 PolarHBondContact O-N 3.02Å; V602-F606 HydrophobicContact CG1-CD1 4.08Å; V602-F606 HydrophobicContact CG1-CD2 4.12Å; V602-F606 HydrophobicContact CG1-CE1 3.66Å; V602-F606 HydrophobicContact CG1-CE2 3.76Å; V602-F606 HydrophobicContact CG1-CG 4.3Å; V602-F606 HydrophobicContact CG1-CZ 3.54Å; V602-F606 WeakPolarHBondContact O-CD1 3.33Å; V602-F606 WeakPolarHBondContact O-CG 3.4Å; V602-F606 PolarHBondContact O-N 3.49Å; V602-Q626 HydrophobicContact CG1-CB 4.5Å; V602-Q626 HydrophobicContact CG1-CG 3.82Å
603	R	95.6	Very high	93.5	Very high	28 Å²	28	52.9 Å²	52.9	11%	0.106	29%	0.289	C	S	.	.	H	α-helix	trans	-61.3	-43.9	178.2	-174.7	177.4	-60.9	103.5	2.2	112	L282 L283 V599 A601 F605 F606 I607 L621	L282-R603 PolarHBondContact O-NH2 2.97Å; L283-R603 VanDerWaalsContact O-CZ 3.22Å; L283-R603 PolarHBondContact O-NE 2.91Å; V599-R603 VanDerWaalsContact CG1-NH2 3.35Å; V599-R603 WeakPolarHBondContact O-CB 2.7Å; V599-R603 PolarHBondContact O-N 3.35Å; A601-R603 VanDerWaalsContact C-N 3.29Å; A601-R603 PolarHBondContact O-N 3.4Å; R603-F605 VanDerWaalsContact C-N 3.31Å; R603-F605 PolarHBondContact O-N 3.41Å; R603-F606 PolarHBondContact O-N 3.5Å; R603-I607 HydrophobicContact CG-CD1 3.98Å; R603-I607 HydrophobicContact CG-CG1 4.41Å; R603-I607 WeakPolarHBondContact O-CG1 3.36Å; R603-I607 PolarHBondContact O-N 3.24Å; R603-L621 HydrophobicContact CG-CD2 4.04Å
604	K	95	Very high	93.2	Very high	163 Å²	163	54.9 Å²	54.9	71%	0.709	31%	0.311	S	S	*	.	H	α-helix	trans	-60.2	-43.7	177.2	-173.3	-179.1	178.9	-176.8	0	111.1	P600 A601 V602 I607 K608	P600-K604 PolarHBondContact O-N 3.49Å; P600-K604 VanDerWaalsContact O-N 3.14Å; A601-K604 WeakPolarHBondContact O-CB 3.36Å; A601-K604 PolarHBondContact O-N 3.14Å; V602-K604 PolarHBondContact O-N 3.35Å; K604-I607 PolarHBondContact O-N 3.22Å; K604-K608 PolarHBondContact O-N 2.91Å
605	F	95.9	Very high	93.1	Very high	1 Å²	1	54 Å²	54	0%	0.004	31%	0.305	C	S	.	.	H	α-helix	trans	-59.7	-45.6	174.3	-176.1	-110	0	0	0	111.9	M580 R583 F584 E588 A601 V602 R603 K608 H609	M580-F605 HydrophobicContact CE-CD1 4.16Å; M580-F605 HydrophobicContact CE-CE1 3.48Å; M580-F605 VanDerWaalsContact CE-CE1 3.48Å; M580-F605 HydrophobicContact CE-CZ 4.17Å; R583-F605 HydrophobicContact CG-CZ 4.24Å; F584-F605 HydrophobicContact CB-CD1 3.66Å; F584-F605 HydrophobicContact CB-CE1 3.85Å; F584-F605 HydrophobicContact CB-CG 4.21Å; F584-F605 HydrophobicContact CD2-CB 3.77Å; F584-F605 HydrophobicContact CD2-CD1 4.18Å; F584-F605 HydrophobicContact CD2-CD2 4.28Å; F584-F605 AromaticContact CD2-CG 3.85Å; F584-F605 HydrophobicContact CD2-CG 3.85Å; F584-F605 HydrophobicContact CE2-CB 4.42Å; F584-F605 HydrophobicContact CG-CD1 4.36Å; F584-F605 HydrophobicContact CG-CG 4.47Å; E588-F605 HydrophobicContact CG-CD2 4.1Å; E588-F605 HydrophobicContact CG-CE2 4.06Å; E588-F605 WeakPolarHBondContact OE1-CD2 3.32Å; E588-F605 WeakPolarHBondContact OE2-CD2 3.44Å; A601-F605 PolarHBondContact O-N 3.24Å; A601-F605 VanDerWaalsContact O-N 3.08Å; V602-F605 WeakPolarHBondContact O-CB 3.45Å; V602-F605 PolarHBondContact O-N 3.02Å; R603-F605 VanDerWaalsContact C-N 3.31Å; R603-F605 PolarHBondContact O-N 3.41Å; F605-K608 WeakPolarHBondContact O-CB 3.39Å; F605-K608 PolarHBondContact O-N 3.02Å; F605-H609 AromaticContact CD2-CD2 3.99Å; F605-H609 AromaticContact CD2-NE2 3.98Å; F605-H609 AromaticContact CE1-CD2 3.75Å; F605-H609 AromaticContact CE1-NE2 3.85Å; F605-H609 AromaticContact CE2-CD2 3.72Å; F605-H609 AromaticContact CE2-NE2 3.29Å; F605-H609 VanDerWaalsContact CE2-NE2 3.29Å; F605-H609 WeakPolarHBondContact CE2-NE2 3.3Å; F605-H609 AromaticContact CZ-CD2 3.59Å; F605-H609 AromaticContact CZ-NE2 3.21Å; F605-H609 WeakPolarHBondContact CZ-NE2 3.31Å; F605-H609 PolarHBondContact O-CD2 3.02Å; F605-H609 VanDerWaalsContact O-CD2 3.3Å; F605-H609 PolarHBondContact O-N 2.91Å; F605-H609 VanDerWaalsContact O-N 3.17Å
606	F	96.4	Very high	93.2	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-65.9	-40.8	179.8	-73.2	8	0	0	0	112.8	M580 V581 V602 R603 K608 H609 L610 V620 L621 Q626	M580-F606 HydrophobicContact CB-CD1 4.2Å; M580-F606 HydrophobicContact CB-CE1 3.38Å; M580-F606 HydrophobicContact CB-CZ 3.66Å; V581-F606 HydrophobicContact CG2-CZ 3.81Å; V602-F606 HydrophobicContact CG1-CD1 4.08Å; V602-F606 HydrophobicContact CG1-CD2 4.12Å; V602-F606 HydrophobicContact CG1-CE1 3.66Å; V602-F606 HydrophobicContact CG1-CE2 3.76Å; V602-F606 HydrophobicContact CG1-CG 4.3Å; V602-F606 HydrophobicContact CG1-CZ 3.54Å; V602-F606 WeakPolarHBondContact O-CD1 3.33Å; V602-F606 WeakPolarHBondContact O-CG 3.4Å; V602-F606 PolarHBondContact O-N 3.49Å; R603-F606 PolarHBondContact O-N 3.5Å; F606-K608 VanDerWaalsContact C-N 3.33Å; F606-K608 PolarHBondContact O-N 3.05Å; F606-H609 PolarHBondContact O-N 3.46Å; F606-L610 WeakPolarHBondContact O-CB 3.39Å; F606-L610 WeakPolarHBondContact O-CG 3.35Å; F606-L610 PolarHBondContact O-N 3.17Å; F606-V620 HydrophobicContact CB-CG2 4.13Å; F606-V620 HydrophobicContact CD2-CB 3.63Å; F606-V620 HydrophobicContact CD2-CG2 3.29Å; F606-V620 VanDerWaalsContact CD2-O 3.29Å; F606-V620 WeakPolarHBondContact CD2-O 3.34Å; F606-V620 HydrophobicContact CE2-CB 3.64Å; F606-V620 HydrophobicContact CE2-CG2 3.84Å; F606-V620 WeakPolarHBondContact CE2-O 3.48Å; F606-V620 HydrophobicContact CG-CG2 3.93Å; F606-L621 HydrophobicContact CB-CD2 3.79Å; F606-Q626 HydrophobicContact CE2-CG 4.26Å
607	I	96.1	Very high	93.4	Very high	14 Å²	14	48.1 Å²	48.1	7%	0.072	27%	0.271	C	S	.	.	H	α-helix	trans	-58	-47	175.9	-73.2	170.3	0	0	0	110.3	E463 L466 L467 R603 K604 H609 L610 L611 L621	E463-I607 HydrophobicContact CG-CG2 3.8Å; L466-I607 HydrophobicContact CD2-CB 4.45Å; L466-I607 HydrophobicContact CD2-CG1 4.26Å; L466-I607 HydrophobicContact CD2-CG2 4.18Å; L467-I607 HydrophobicContact CD2-CD1 4.29Å; R603-I607 HydrophobicContact CG-CD1 3.98Å; R603-I607 HydrophobicContact CG-CG1 4.41Å; R603-I607 WeakPolarHBondContact O-CG1 3.36Å; R603-I607 PolarHBondContact O-N 3.24Å; K604-I607 PolarHBondContact O-N 3.22Å; I607-H609 VanDerWaalsContact C-N 3.34Å; I607-H609 PolarHBondContact O-N 3.14Å; I607-L610 PolarHBondContact O-N 2.91Å; I607-L611 HydrophobicContact CG2-CD1 3.95Å; I607-L611 HydrophobicContact CG2-CG 4.4Å; I607-L611 WeakPolarHBondContact O-CG 3.36Å; I607-L611 PolarHBondContact O-N 2.84Å; I607-L621 HydrophobicContact CG1-CD2 3.84Å
608	K	95.2	Very high	93.5	Very high	110 Å²	110	43.6 Å²	43.6	48%	0.478	25%	0.251	S	S	.	.	H	α-helix	trans	-55.8	-46.5	175.9	177.9	-173.8	171.3	-167.1	0	111.7	E588 K604 F605 F606 T612	E588-K608 IonicContact OE1-NZ 3.22Å; E588-K608 PolarHBondContact OE1-NZ 3.19Å; K604-K608 PolarHBondContact O-N 2.91Å; F605-K608 WeakPolarHBondContact O-CB 3.39Å; F605-K608 PolarHBondContact O-N 3.02Å; F606-K608 VanDerWaalsContact C-N 3.33Å; F606-K608 PolarHBondContact O-N 3.05Å; K608-T612 WeakPolarHBondContact O-CG2 3.48Å; K608-T612 PolarHBondContact O-N 3.27Å; K608-T612 VanDerWaalsContact O-N 3.11Å; K608-T612 PolarHBondContact O-OG1 3.41Å
609	H	94.9	Very high	93.5	Very high	35 Å²	35	44.2 Å²	44.2	16%	0.162	25%	0.254	C	S	.	.	H	α-helix	trans	-72.7	-30.6	179.7	-79	-75.4	0	0	0	114.3	M580 F605 F606 I607 T612 G613 G614 L615	M580-H609 HydrophobicContact CE-CB 3.99Å; F605-H609 AromaticContact CD2-CD2 3.99Å; F605-H609 AromaticContact CD2-NE2 3.98Å; F605-H609 AromaticContact CE1-CD2 3.75Å; F605-H609 AromaticContact CE1-NE2 3.85Å; F605-H609 AromaticContact CE2-CD2 3.72Å; F605-H609 AromaticContact CE2-NE2 3.29Å; F605-H609 VanDerWaalsContact CE2-NE2 3.29Å; F605-H609 WeakPolarHBondContact CE2-NE2 3.3Å; F605-H609 AromaticContact CZ-CD2 3.59Å; F605-H609 AromaticContact CZ-NE2 3.21Å; F605-H609 WeakPolarHBondContact CZ-NE2 3.31Å; F605-H609 PolarHBondContact O-CD2 3.02Å; F605-H609 VanDerWaalsContact O-CD2 3.3Å; F605-H609 PolarHBondContact O-N 2.91Å; F605-H609 VanDerWaalsContact O-N 3.17Å; F606-H609 PolarHBondContact O-N 3.46Å; I607-H609 VanDerWaalsContact C-N 3.34Å; I607-H609 PolarHBondContact O-N 3.14Å; H609-T612 WeakPolarHBondContact CA-OG1 3.38Å; H609-T612 PolarHBondContact O-OG1 3.33Å; H609-G613 PolarHBondContact O-N 3.3Å; H609-G614 PolarHBondContact O-N 3.08Å; H609-L615 HydrophobicContact CB-CB 4.14Å; H609-L615 PolarHBondContact O-N 3.19Å; H609-L615 VanDerWaalsContact O-N 3.09Å
610	L	94.2	Very high	93.6	Very high	22 Å²	22	43.3 Å²	43.3	12%	0.115	25%	0.248	C	C	.	.	H	α-helix	trans	-68.1	-42.4	173.1	-75.8	164.5	0	0	0	111.3	L466 F606 I607 G613 L615 V618 V620 L621	L466-L610 HydrophobicContact CD1-CB 4.47Å; L466-L610 HydrophobicContact CD1-CD1 4.46Å; L466-L610 HydrophobicContact CD2-CB 3.86Å; L466-L610 HydrophobicContact CD2-CD1 4.09Å; F606-L610 WeakPolarHBondContact O-CB 3.39Å; F606-L610 WeakPolarHBondContact O-CG 3.35Å; F606-L610 PolarHBondContact O-N 3.17Å; I607-L610 PolarHBondContact O-N 2.91Å; L610-G613 PolarHBondContact O-N 3.3Å; L610-L615 HydrophobicContact CD2-CB 3.93Å; L610-L615 HydrophobicContact CD2-CD2 4Å; L610-L615 HydrophobicContact CD2-CG 4.19Å; L610-L615 HydrophobicContact CG-CB 4.15Å; L610-L615 HydrophobicContact CG-CD2 4.02Å; L610-V618 HydrophobicContact CD2-CG2 4.33Å; L610-V620 HydrophobicContact CD1-CG2 4.38Å; L610-L621 HydrophobicContact CD1-CD1 3.87Å; L610-L621 HydrophobicContact CD1-CD2 3.85Å; L610-L621 HydrophobicContact CD1-CG 3.78Å
611	L	93.9	Very high	93.7	Very high	78 Å²	78	39.7 Å²	39.7	41%	0.408	23%	0.225	S	C	.	.	H	α-helix	trans	-70.4	-32.7	179.4	-68.9	178.2	0	0	0	113	P462 E463 L466 I607 G613	P462-L611 HydrophobicContact CB-CD1 4.47Å; P462-L611 HydrophobicContact CB-CD2 3.98Å; E463-L611 HydrophobicContact CG-CD1 3.73Å; L466-L611 HydrophobicContact CB-CD2 4.41Å; L466-L611 HydrophobicContact CD2-CD2 4.22Å; L466-L611 HydrophobicContact CD2-CG 4.25Å; I607-L611 HydrophobicContact CG2-CD1 3.95Å; I607-L611 HydrophobicContact CG2-CG 4.4Å; I607-L611 WeakPolarHBondContact O-CG 3.36Å; I607-L611 PolarHBondContact O-N 2.84Å; L611-G613 VanDerWaalsContact C-N 3.3Å
612	T	92.8	Very high	93.8	Very high	104 Å²	104	38.7 Å²	38.7	64%	0.638	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-4.3	175.3	58.5	0	0	0	0	113.6	K608 H609 G614	K608-T612 WeakPolarHBondContact O-CG2 3.48Å; K608-T612 PolarHBondContact O-N 3.27Å; K608-T612 VanDerWaalsContact O-N 3.11Å; K608-T612 PolarHBondContact O-OG1 3.41Å; H609-T612 WeakPolarHBondContact CA-OG1 3.38Å; H609-T612 PolarHBondContact O-OG1 3.33Å; T612-G614 VanDerWaalsContact C-N 3.28Å; T612-G614 PolarHBondContact O-N 3.07Å
613	G	86.6	Confident	93.8	Very high	62 Å²	62	39.2 Å²	39.2	64%	0.639	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	7.9	-178.3	0	0	0	0	0	114.8	H609 L610 L611 L615	H609-G613 PolarHBondContact O-N 3.3Å; L610-G613 PolarHBondContact O-N 3.3Å; L611-G613 VanDerWaalsContact C-N 3.3Å; G613-L615 PolarHBondContact O-N 3.45Å
614	G	84.4	Confident	93.8	Very high	50 Å²	50	39.4 Å²	39.4	52%	0.515	22%	0.222	S	C	.	.	S	Bend	trans	-72.5	-9.9	173.4	0	0	0	0	0	114	H609 T612	H609-G614 PolarHBondContact O-N 3.08Å; T612-G614 VanDerWaalsContact C-N 3.28Å; T612-G614 PolarHBondContact O-N 3.07Å
615	L	88.9	Confident	93.9	Very high	15 Å²	15	31.9 Å²	31.9	8%	0.079	19%	0.19	C	C	.	.			trans	-133.9	141	175.6	-160.1	71.7	0	0	0	111.8	Q576 M580 H609 L610 G613 V620	Q576-L615 HydrophobicContact CB-CD1 4.47Å; M580-L615 HydrophobicContact CG-CD1 3.54Å; M580-L615 HydrophobicContact SD-CD1 4.25Å; H609-L615 HydrophobicContact CB-CB 4.14Å; H609-L615 PolarHBondContact O-N 3.19Å; H609-L615 VanDerWaalsContact O-N 3.09Å; L610-L615 HydrophobicContact CD2-CB 3.93Å; L610-L615 HydrophobicContact CD2-CD2 4Å; L610-L615 HydrophobicContact CD2-CG 4.19Å; L610-L615 HydrophobicContact CG-CB 4.15Å; L610-L615 HydrophobicContact CG-CD2 4.02Å; G613-L615 PolarHBondContact O-N 3.45Å; L615-V620 HydrophobicContact CD2-CB 4.16Å; L615-V620 HydrophobicContact CD2-CG1 4.03Å; L615-V620 HydrophobicContact CD2-CG2 3.21Å
616	K	88.6	Confident	94	Very high	96 Å²	96	31.8 Å²	31.8	42%	0.417	19%	0.19	S	C	.	.			trans	-95.3	-41.4	-173	-174.3	-176.1	179	-157.7	0	113.7	A383	A383-K616 HydrophobicContact CB-CD 4.43Å; A383-K616 HydrophobicContact CB-CG 4.42Å; A383-K616 WeakPolarHBondContact O-CE 3.41Å
617	Y	93.6	Very high	94	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.016	21%	0.214	C	C	.	.			trans	-97.8	121.3	-169	-62.1	-77.1	0	0	0	111.3	A383 D572 P573 Q576 E619 V620	A383-Y617 HydrophobicContact CB-CD1 3.9Å; A383-Y617 HydrophobicContact CB-CE1 3.31Å; D572-Y617 HydrophobicContact CB-CE1 4.39Å; D572-Y617 HydrophobicContact CB-CE2 3.56Å; D572-Y617 VanDerWaalsContact CB-CZ 3.48Å; D572-Y617 VanDerWaalsContact CB-OH 3.28Å; D572-Y617 WeakPolarHBondContact CB-OH 3.38Å; D572-Y617 PolarHBondContact OD2-OH 3.47Å; P573-Y617 HydrophobicContact CB-CD1 4.19Å; P573-Y617 HydrophobicContact CB-CG 4.03Å; P573-Y617 HydrophobicContact CG-CD1 3.65Å; P573-Y617 HydrophobicContact CG-CE1 3.94Å; P573-Y617 HydrophobicContact CG-CG 3.98Å; Q576-Y617 HydrophobicContact CB-CD2 4.44Å; Q576-Y617 HydrophobicContact CG-CD2 4.31Å; Q576-Y617 HydrophobicContact CG-CE2 4.36Å; Y617-E619 PolarHBondContact O-N 3.36Å; Y617-V620 WeakPolarHBondContact O-CG2 3.46Å
618	V	94.1	Very high	94	Very high	9 Å²	9	37.9 Å²	37.9	6%	0.055	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-73.8	-21.9	178.2	179.1	0	0	0	0	110.9	L466 A470 V473 L610 V620 L621	L466-V618 HydrophobicContact CD1-CG1 4.28Å; L466-V618 HydrophobicContact CD1-CG2 4.15Å; A470-V618 HydrophobicContact CB-CG1 3.48Å; A470-V618 VanDerWaalsContact CB-CG1 3.48Å; V473-V618 HydrophobicContact CB-CB 4.47Å; V473-V618 HydrophobicContact CB-CG1 4.49Å; V473-V618 HydrophobicContact CG1-CB 4.12Å; L610-V618 HydrophobicContact CD2-CG2 4.33Å; V618-V620 PolarHBondContact O-N 2.95Å; V618-L621 HydrophobicContact CG1-CD1 4.02Å; V618-L621 WeakPolarHBondContact O-CB 3.22Å; V618-L621 WeakPolarHBondContact O-CG 2.96Å; V618-L621 PolarHBondContact O-N 3.41Å; V618-L621 VanDerWaalsContact O-N 3.09Å
619	E	95.8	Very high	94.2	Very high	13 Å²	13	32.7 Å²	32.7	6%	0.061	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-55.5	-24.6	178.8	-63.8	95	125.1	0	0	113.7	V473 A477 P573 Y617 L621 S622	V473-E619 HydrophobicContact CG1-CG 3.83Å; A477-E619 HydrophobicContact CB-CG 3.94Å; P573-E619 HydrophobicContact CB-CB 4.15Å; Y617-E619 PolarHBondContact O-N 3.36Å; E619-L621 PolarHBondContact O-N 3.27Å; E619-L621 VanDerWaalsContact O-N 3.1Å; E619-S622 WeakPolarHBondContact O-CB 3.31Å; E619-S622 PolarHBondContact O-N 3.01Å
620	V	96.4	Very high	94.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-62.2	-18.6	178.6	-54.6	0	0	0	0	113.3	F606 L610 L615 Y617 V618 S622 Q626	F606-V620 HydrophobicContact CB-CG2 4.13Å; F606-V620 HydrophobicContact CD2-CB 3.63Å; F606-V620 HydrophobicContact CD2-CG2 3.29Å; F606-V620 VanDerWaalsContact CD2-O 3.29Å; F606-V620 WeakPolarHBondContact CD2-O 3.34Å; F606-V620 HydrophobicContact CE2-CB 3.64Å; F606-V620 HydrophobicContact CE2-CG2 3.84Å; F606-V620 WeakPolarHBondContact CE2-O 3.48Å; F606-V620 HydrophobicContact CG-CG2 3.93Å; L610-V620 HydrophobicContact CD1-CG2 4.38Å; L615-V620 HydrophobicContact CD2-CB 4.16Å; L615-V620 HydrophobicContact CD2-CG1 4.03Å; L615-V620 HydrophobicContact CD2-CG2 3.21Å; Y617-V620 WeakPolarHBondContact O-CG2 3.46Å; V618-V620 PolarHBondContact O-N 2.95Å; V620-S622 PolarHBondContact O-N 3.42Å; V620-Q626 PolarHBondContact O-NE2 2.96Å
621	L	97.1	Very high	94.4	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-70.8	-9.9	177.3	-63.4	179.8	0	0	0	112.8	L283 L466 L467 A470 R603 F606 I607 L610 V618 E619 S623	L283-L621 HydrophobicContact CD2-CB 3.74Å; L283-L621 HydrophobicContact CD2-CD1 4.4Å; L466-L621 HydrophobicContact CD2-CD1 4.5Å; L466-L621 HydrophobicContact CG-CD1 4.4Å; L467-L621 HydrophobicContact CD2-CD1 4.5Å; A470-L621 HydrophobicContact CB-CD1 3.95Å; R603-L621 HydrophobicContact CG-CD2 4.04Å; F606-L621 HydrophobicContact CB-CD2 3.79Å; I607-L621 HydrophobicContact CG1-CD2 3.84Å; L610-L621 HydrophobicContact CD1-CD1 3.87Å; L610-L621 HydrophobicContact CD1-CD2 3.85Å; L610-L621 HydrophobicContact CD1-CG 3.78Å; V618-L621 HydrophobicContact CG1-CD1 4.02Å; V618-L621 WeakPolarHBondContact O-CB 3.22Å; V618-L621 WeakPolarHBondContact O-CG 2.96Å; V618-L621 PolarHBondContact O-N 3.41Å; V618-L621 VanDerWaalsContact O-N 3.09Å; E619-L621 PolarHBondContact O-N 3.27Å; E619-L621 VanDerWaalsContact O-N 3.1Å; L621-S623 PolarHBondContact O-N 3.38Å
622	S	97.4	Very high	94.5	Very high	8 Å²	8	28.3 Å²	28.3	6%	0.056	18%	0.177	C	C	.	.			trans	-57.7	117.2	172.3	178	0	0	0	0	111.3	E619 V620 D624 L625 Q626	E619-S622 WeakPolarHBondContact O-CB 3.31Å; E619-S622 PolarHBondContact O-N 3.01Å; V620-S622 PolarHBondContact O-N 3.42Å; S622-D624 PolarHBondContact O-N 2.95Å; S622-D624 PolarHBondContact OG-N 3.45Å; S622-L625 PolarHBondContact O-N 3.15Å; S622-L625 PolarHBondContact OG-N 3.42Å; S622-Q626 WeakPolarHBondContact O-CG 3.39Å; S622-Q626 PolarHBondContact O-N 3.25Å; S622-Q626 VanDerWaalsContact O-N 3.17Å
623	S	96.7	Very high	94.7	Very high	11 Å²	11	23.4 Å²	23.4	8%	0.077	15%	0.147	C	C	.	.	H	α-helix	trans	-62.4	-24.7	172.3	57.3	0	0	0	0	113.2	L282 L621 K627	L282-S623 WeakPolarHBondContact O-CB 3.43Å; L282-S623 PolarHBondContact O-N 2.95Å; L282-S623 PolarHBondContact O-OG 3.47Å; L621-S623 PolarHBondContact O-N 3.38Å; S623-K627 WeakPolarHBondContact O-CB 3.28Å; S623-K627 WeakPolarHBondContact O-CD 3.36Å; S623-K627 WeakPolarHBondContact O-CG 3.4Å; S623-K627 PolarHBondContact O-N 2.83Å
624	D	95.8	Very high	95.1	Very high	32 Å²	32	23 Å²	23	17%	0.171	13%	0.13	C	C	.	.	H	α-helix	trans	-64.6	-49.6	175	-165.1	67.8	0	0	0	110.3	T234 K236 L282 S622 Q626 K627 N628	T234-D624 HydrophobicContact CG2-CB 3.73Å; T234-D624 PolarHBondContact OG1-OD2 3.12Å; K236-D624 IonicContact NZ-OD2 3.18Å; K236-D624 PolarHBondContact NZ-OD2 3.06Å; L282-D624 HydrophobicContact CD2-CB 3.7Å; S622-D624 PolarHBondContact O-N 2.95Å; S622-D624 PolarHBondContact OG-N 3.45Å; D624-Q626 VanDerWaalsContact C-N 3.34Å; D624-Q626 PolarHBondContact O-N 3.46Å; D624-K627 PolarHBondContact O-N 2.87Å; D624-N628 WeakPolarHBondContact O-CB 3.43Å; D624-N628 PolarHBondContact O-N 2.92Å; D624-N628 PolarHBondContact O-ND2 3.13Å; D624-N628 PolarHBondContact OD2-ND2 3.37Å
625	L	97.3	Very high	95.6	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.026	12%	0.124	C	C	.	.	H	α-helix	trans	-58.6	-46.7	176.6	-177.5	156.8	0	0	0	110.9	F574 Y578 S622 K627 N628 A629	F574-L625 HydrophobicContact CD1-CD1 4.01Å; Y578-L625 HydrophobicContact CD2-CD2 4.22Å; Y578-L625 HydrophobicContact CD2-CG 4.42Å; Y578-L625 HydrophobicContact CE2-CD2 4.45Å; Y578-L625 HydrophobicContact CE2-CG 4.29Å; S622-L625 PolarHBondContact O-N 3.15Å; S622-L625 PolarHBondContact OG-N 3.42Å; L625-K627 PolarHBondContact O-N 3.04Å; L625-N628 PolarHBondContact O-N 3.06Å; L625-A629 WeakPolarHBondContact O-CB 3.38Å; L625-A629 PolarHBondContact O-N 3.31Å
626	Q	97.5	Very high	95.9	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.5	-42.6	-179.7	-64.3	168.4	6.6	0	0	111.6	F598 V599 V602 F606 V620 S622 D624 A629 L630	F598-Q626 HydrophobicContact CE1-CB 4.4Å; F598-Q626 WeakPolarHBondContact CE1-O 3.31Å; V599-Q626 HydrophobicContact CG2-CB 4.45Å; V599-Q626 PolarHBondContact O-OE1 3.08Å; V602-Q626 HydrophobicContact CG1-CB 4.5Å; V602-Q626 HydrophobicContact CG1-CG 3.82Å; F606-Q626 HydrophobicContact CE2-CG 4.26Å; V620-Q626 PolarHBondContact O-NE2 2.96Å; S622-Q626 WeakPolarHBondContact O-CG 3.39Å; S622-Q626 PolarHBondContact O-N 3.25Å; S622-Q626 VanDerWaalsContact O-N 3.17Å; D624-Q626 VanDerWaalsContact C-N 3.34Å; D624-Q626 PolarHBondContact O-N 3.46Å; Q626-A629 PolarHBondContact O-N 3.2Å; Q626-L630 PolarHBondContact O-N 2.86Å
627	K	96.6	Very high	96.1	Very high	116 Å²	116	23.7 Å²	23.7	50%	0.504	12%	0.124	S	C	.	.	H	α-helix	trans	-66.4	-40.7	176.1	-73	168.1	-174.4	172.8	0	112.1	V599 S623 D624 L625 L630 A631	V599-K627 HydrophobicContact CG2-CG 3.81Å; S623-K627 WeakPolarHBondContact O-CB 3.28Å; S623-K627 WeakPolarHBondContact O-CD 3.36Å; S623-K627 WeakPolarHBondContact O-CG 3.4Å; S623-K627 PolarHBondContact O-N 2.83Å; D624-K627 PolarHBondContact O-N 2.87Å; L625-K627 PolarHBondContact O-N 3.04Å; K627-L630 PolarHBondContact O-N 2.82Å; K627-A631 WeakPolarHBondContact O-CB 3.49Å; K627-A631 PolarHBondContact O-N 3.25Å
628	N	97.1	Very high	96.2	Very high	25 Å²	25	23.5 Å²	23.5	13%	0.134	12%	0.124	C	C	.	.	H	α-helix	trans	-67.5	-37.4	178	-65.5	-20.9	0	0	0	111.5	N521 E522 Y578 D624 L625 A631 A632	N521-N628 HydrophobicContact CB-CB 4.06Å; E522-N628 WeakPolarHBondContact OE2-CB 3.49Å; E522-N628 PolarHBondContact OE2-ND2 3.13Å; Y578-N628 VanDerWaalsContact OH-CB 3.31Å; Y578-N628 WeakPolarHBondContact OH-CB 3.38Å; Y578-N628 PolarHBondContact OH-O 3.38Å; D624-N628 WeakPolarHBondContact O-CB 3.43Å; D624-N628 PolarHBondContact O-N 2.92Å; D624-N628 PolarHBondContact O-ND2 3.13Å; D624-N628 PolarHBondContact OD2-ND2 3.37Å; L625-N628 PolarHBondContact O-N 3.06Å; N628-A631 PolarHBondContact O-N 2.82Å; N628-A632 WeakPolarHBondContact O-CB 3.38Å; N628-A632 PolarHBondContact O-N 3.38Å
629	A	97.8	Very high	96.2	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.008	12%	0.121	C	C	.	.	H	α-helix	trans	-61.3	-48	172.6	0	0	0	0	0	111.2	Y578 V581 L625 Q626 A631 A632 L633	Y578-A629 HydrophobicContact CD1-CB 4.17Å; Y578-A629 HydrophobicContact CD2-CB 3.79Å; Y578-A629 HydrophobicContact CE1-CB 4.14Å; Y578-A629 HydrophobicContact CE2-CB 3.77Å; Y578-A629 HydrophobicContact CG-CB 3.98Å; Y578-A629 PolarHBondContact OH-N 3.09Å; V581-A629 HydrophobicContact CB-CB 4.19Å; V581-A629 HydrophobicContact CG1-CB 4.15Å; V581-A629 HydrophobicContact CG2-CB 3.92Å; L625-A629 WeakPolarHBondContact O-CB 3.38Å; L625-A629 PolarHBondContact O-N 3.31Å; Q626-A629 PolarHBondContact O-N 3.2Å; A629-A631 VanDerWaalsContact C-N 3.35Å; A629-A631 PolarHBondContact O-N 3.38Å; A629-A632 PolarHBondContact O-N 3.17Å; A629-L633 WeakPolarHBondContact O-CG 3.46Å; A629-L633 PolarHBondContact O-N 2.89Å
630	L	97.1	Very high	96	Very high	10 Å²	10	27.9 Å²	27.9	5%	0.052	14%	0.144	C	C	.	.	H	α-helix	trans	-60.2	-44	174.8	-179.7	61.2	0	0	0	111.9	E595 F598 Q626 K627 A632 L633 L634 V639 L651	E595-L630 HydrophobicContact CG-CD2 4.28Å; F598-L630 HydrophobicContact CB-CD2 4.33Å; F598-L630 HydrophobicContact CD1-CB 4.22Å; F598-L630 HydrophobicContact CD1-CD2 3.77Å; F598-L630 HydrophobicContact CD1-CG 4.49Å; F598-L630 HydrophobicContact CD2-CD1 4.29Å; F598-L630 HydrophobicContact CD2-CD2 4.28Å; F598-L630 HydrophobicContact CE1-CB 3.7Å; F598-L630 HydrophobicContact CE1-CD2 4.13Å; F598-L630 HydrophobicContact CE1-CG 4.37Å; F598-L630 HydrophobicContact CE2-CB 4.49Å; F598-L630 HydrophobicContact CE2-CD1 4.08Å; F598-L630 HydrophobicContact CG-CD2 3.86Å; F598-L630 HydrophobicContact CZ-CB 3.84Å; F598-L630 HydrophobicContact CZ-CD1 4.27Å; F598-L630 HydrophobicContact CZ-CG 4.42Å; Q626-L630 PolarHBondContact O-N 2.86Å; K627-L630 PolarHBondContact O-N 2.82Å; L630-A632 VanDerWaalsContact C-N 3.3Å; L630-A632 PolarHBondContact O-N 3.45Å; L630-L633 PolarHBondContact O-N 3.3Å; L630-L634 HydrophobicContact CD1-CD1 4.37Å; L630-L634 HydrophobicContact CD1-CG 4.31Å; L630-L634 HydrophobicContact CG-CD1 4.01Å; L630-L634 HydrophobicContact CG-CG 4.43Å; L630-L634 WeakPolarHBondContact O-CB 3.18Å; L630-L634 WeakPolarHBondContact O-CG 3.38Å; L630-L634 PolarHBondContact O-N 3.18Å; L630-V639 HydrophobicContact CD1-CG1 4.17Å; L630-L651 HydrophobicContact CD1-CD1 3.97Å; L630-L651 HydrophobicContact CD2-CD1 4.15Å
631	A	96.1	Very high	95.7	Very high	33 Å²	33	32.4 Å²	32.4	27%	0.273	16%	0.163	S	C	.	.	H	α-helix	trans	-61.1	-38.9	177.7	0	0	0	0	0	112.2	N521 K627 N628 A629 R635	N521-A631 HydrophobicContact CB-CB 4.42Å; K627-A631 WeakPolarHBondContact O-CB 3.49Å; K627-A631 PolarHBondContact O-N 3.25Å; N628-A631 PolarHBondContact O-N 2.82Å; A629-A631 VanDerWaalsContact C-N 3.35Å; A629-A631 PolarHBondContact O-N 3.38Å; A631-R635 PolarHBondContact O-N 2.86Å
632	A	96.4	Very high	95.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.2	-46.1	174.8	0	0	0	0	0	111.4	M518 N521 Y578 N628 A629 L630 L634 R635 L636	M518-A632 HydrophobicContact CE-CB 4.22Å; M518-A632 WeakPolarHBondContact O-CB 3.32Å; M518-A632 HydrophobicContact SD-CB 4.36Å; N521-A632 WeakPolarHBondContact OD1-CA 3.48Å; N521-A632 PolarHBondContact OD1-N 3.22Å; Y578-A632 HydrophobicContact CE1-CB 3.98Å; N628-A632 WeakPolarHBondContact O-CB 3.38Å; N628-A632 PolarHBondContact O-N 3.38Å; A629-A632 PolarHBondContact O-N 3.17Å; L630-A632 VanDerWaalsContact C-N 3.3Å; L630-A632 PolarHBondContact O-N 3.45Å; A632-L634 VanDerWaalsContact C-N 3.33Å; A632-L634 PolarHBondContact O-N 3.08Å; A632-R635 PolarHBondContact O-N 3.22Å; A632-L636 WeakPolarHBondContact O-CB 3.43Å; A632-L636 VanDerWaalsContact O-CG 3.29Å; A632-L636 WeakPolarHBondContact O-CG 3.5Å; A632-L636 PolarHBondContact O-N 3.11Å
633	L	97	Very high	94.1	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-64	-36.4	178	-66.5	175.7	0	0	0	112.8	M518 V581 L585 A629 L630 G637 A638 V639 L661	M518-L633 HydrophobicContact CE-CD2 3.89Å; M518-L633 HydrophobicContact CE-CG 4.38Å; V581-L633 HydrophobicContact CG1-CD1 3.93Å; L585-L633 HydrophobicContact CD1-CD1 3.46Å; L585-L633 VanDerWaalsContact CD1-CD1 3.46Å; A629-L633 WeakPolarHBondContact O-CG 3.46Å; A629-L633 PolarHBondContact O-N 2.89Å; L630-L633 PolarHBondContact O-N 3.3Å; L633-G637 PolarHBondContact O-N 3.34Å; L633-G637 VanDerWaalsContact O-N 3.15Å; L633-A638 HydrophobicContact CB-CB 4.34Å; L633-A638 HydrophobicContact CD2-CB 3.94Å; L633-A638 PolarHBondContact O-N 3.44Å; L633-V639 HydrophobicContact CB-CB 4.29Å; L633-V639 HydrophobicContact CB-CG2 3.9Å; L633-V639 HydrophobicContact CD1-CG2 4.28Å; L633-V639 PolarHBondContact O-N 3.26Å; L633-L661 HydrophobicContact CD2-CD1 3.56Å
634	L	95.6	Very high	92.3	Very high	53 Å²	53	48.4 Å²	48.4	28%	0.277	24%	0.24	S	C	.	.	H	α-helix	trans	-64.4	-44.9	172.1	-73.9	166.9	0	0	0	111.5	L630 A632 L636 G637 V639 K641	L630-L634 HydrophobicContact CD1-CD1 4.37Å; L630-L634 HydrophobicContact CD1-CG 4.31Å; L630-L634 HydrophobicContact CG-CD1 4.01Å; L630-L634 HydrophobicContact CG-CG 4.43Å; L630-L634 WeakPolarHBondContact O-CB 3.18Å; L630-L634 WeakPolarHBondContact O-CG 3.38Å; L630-L634 PolarHBondContact O-N 3.18Å; A632-L634 VanDerWaalsContact C-N 3.33Å; A632-L634 PolarHBondContact O-N 3.08Å; L634-L636 VanDerWaalsContact C-N 3.33Å; L634-L636 PolarHBondContact O-N 2.96Å; L634-G637 PolarHBondContact O-N 3.15Å; L634-V639 HydrophobicContact CD2-CB 4.24Å; L634-V639 HydrophobicContact CD2-CG1 3.96Å; L634-K641 HydrophobicContact CD2-CB 4.23Å
635	R	94.8	Very high	90.9	Very high	103 Å²	103	50 Å²	50	39%	0.389	26%	0.264	S	S	.	.	H	α-helix	trans	-62.1	-41.4	176.8	-179.7	-176	59.7	-96.9	-13.3	111.6	N517 S520 N521 A631 A632 G637	N517-R635 PolarHBondContact O-NH2 2.9Å; N517-R635 PolarHBondContact OD1-NE 3.45Å; S520-R635 PolarHBondContact OG-NH1 3.48Å; S520-R635 VanDerWaalsContact OG-NH1 3.1Å; S520-R635 PolarHBondContact OG-NH2 2.87Å; N521-R635 PolarHBondContact OD1-NH1 3.29Å; A631-R635 PolarHBondContact O-N 2.86Å; A632-R635 PolarHBondContact O-N 3.22Å; R635-G637 PolarHBondContact O-N 3.07Å
636	L	94.4	Very high	89.1	Confident	48 Å²	48	55 Å²	55	25%	0.251	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-7.2	-179.1	-65.7	174.9	0	0	0	113.2	N517 M518 A632 L634 A638 L661	N517-L636 WeakPolarHBondContact ND2-CD2 3.38Å; M518-L636 HydrophobicContact SD-CD1 3.47Å; M518-L636 WeakPolarHBondContact SD-CD1 3.1Å; A632-L636 WeakPolarHBondContact O-CB 3.43Å; A632-L636 VanDerWaalsContact O-CG 3.29Å; A632-L636 WeakPolarHBondContact O-CG 3.5Å; A632-L636 PolarHBondContact O-N 3.11Å; L634-L636 VanDerWaalsContact C-N 3.33Å; L634-L636 PolarHBondContact O-N 2.96Å; L636-A638 PolarHBondContact O-N 3.2Å; L636-L661 HydrophobicContact CD1-CD1 4.25Å; L636-L661 HydrophobicContact CD1-CD2 4.3Å
637	G	94.3	Very high	87.4	Confident	25 Å²	25	59.7 Å²	59.7	26%	0.258	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	8.8	-178.4	0	0	0	0	0	114.6	L633 L634 R635 V639	L633-G637 PolarHBondContact O-N 3.34Å; L633-G637 VanDerWaalsContact O-N 3.15Å; L634-G637 PolarHBondContact O-N 3.15Å; R635-G637 PolarHBondContact O-N 3.07Å; G637-V639 VanDerWaalsContact C-N 3.3Å
638	A	94.8	Very high	86.2	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.341	C	S	.	.	S	Bend	trans	-72.2	-27.7	175.8	0	0	0	0	0	111.8	L633 L636 N654 M657 V658 L661	L633-A638 HydrophobicContact CB-CB 4.34Å; L633-A638 HydrophobicContact CD2-CB 3.94Å; L633-A638 PolarHBondContact O-N 3.44Å; L636-A638 PolarHBondContact O-N 3.2Å; A638-N654 WeakPolarHBondContact O-CB 3.24Å; A638-N654 PolarHBondContact O-N 3.45Å; A638-M657 VanDerWaalsContact CA-SD 3.51Å; A638-M657 HydrophobicContact CB-CB 4.31Å; A638-M657 HydrophobicContact CB-CG 3.81Å; A638-M657 HydrophobicContact CB-SD 3.73Å; A638-M657 PolarHBondContact N-SD 2.9Å; A638-V658 HydrophobicContact CB-CG2 3.93Å; A638-L661 HydrophobicContact CB-CD1 3.72Å
639	V	94.7	Very high	85.2	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.006	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	143.2	169.7	178.7	0	0	0	0	108.1	L585 L630 L633 L634 G637 L651 K652	L585-V639 HydrophobicContact CD1-CG2 3.82Å; L630-V639 HydrophobicContact CD1-CG1 4.17Å; L633-V639 HydrophobicContact CB-CB 4.29Å; L633-V639 HydrophobicContact CB-CG2 3.9Å; L633-V639 HydrophobicContact CD1-CG2 4.28Å; L633-V639 PolarHBondContact O-N 3.26Å; L634-V639 HydrophobicContact CD2-CB 4.24Å; L634-V639 HydrophobicContact CD2-CG1 3.96Å; G637-V639 VanDerWaalsContact C-N 3.3Å; V639-L651 HydrophobicContact CG1-CB 3.98Å; V639-L651 HydrophobicContact CG1-CD2 4.06Å; V639-L651 HydrophobicContact CG1-CG 4.46Å; V639-K652 CarbonylContact C-O 3.58Å; V639-K652 WeakPolarHBondContact CA-O 3.45Å
640	Q	92.1	Very high	84.8	Confident	113 Å²	113	61.3 Å²	61.3	53%	0.528	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135.5	175.5	-65.4	-179.1	-1.1	0	0	110.1	K652	Q640-K652 HydrophobicContact CB-CB 4.46Å; Q640-K652 PolarHBondContact N-O 2.87Å; Q640-K652 PolarHBondContact O-N 3.2Å
641	K	89.4	Confident	84.4	Confident	95 Å²	95	61 Å²	61	41%	0.413	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	120.4	173.7	-177.1	176	178.3	175.5	0	109.7	E595 L634	E595-K641 WeakPolarHBondContact OE2-CE 3.4Å; E595-K641 IonicContact OE2-NZ 2.73Å; E595-K641 PolarHBondContact OE2-NZ 2.9Å; L634-K641 HydrophobicContact CD2-CB 4.23Å
642	L	85.8	Confident	84.2	Confident	67 Å²	67	65.7 Å²	65.7	35%	0.351	36%	0.357	S	S	.	.			trans	-70.5	131	176.4	-62.8	178.5	0	0	0	110.5	D647 G649 T650	L642-D647 HydrophobicContact CD1-CB 4.44Å; L642-G649 PolarHBondContact O-N 3.41Å; L642-T650 PolarHBondContact N-O 3.45Å
643	R	75.4	Confident	84	Confident	241 Å²	241	67.4 Å²	67.4	91%	0.909	37%	0.367	S	S	*	.			trans	-113.3	108	179.6	-64	-175.6	-177.8	-176.8	1.2	109.4
644	G	59.6	Low	83.8	Confident	47 Å²	47	70.8 Å²	70.8	49%	0.485	39%	0.385	S	S	.	.	S	Bend	trans	107.6	153.2	174.1	0	0	0	0	0	114.9
645	G	64.8	Low	83.6	Confident	66 Å²	66	71.8 Å²	71.8	68%	0.68	39%	0.393	S	S	*	.	S	Bend	trans	86.4	-169.6	179.3	0	0	0	0	0	115	D647 Q648	G645-D647 PolarHBondContact O-N 2.88Å; G645-Q648 PolarHBondContact O-N 2.68Å
646	A	60.4	Low	83.5	Confident	110 Å²	110	72.2 Å²	72.2	91%	0.909	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.7	176.3	0	0	0	0	0	113.3
647	D	61.3	Low	83.5	Confident	99 Å²	99	73.4 Å²	73.4	53%	0.529	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	23.2	-178	-57.1	-45.1	0	0	0	113.5	L642 G645 G649 T650	L642-D647 HydrophobicContact CD1-CB 4.44Å; G645-D647 PolarHBondContact O-N 2.88Å; D647-G649 PolarHBondContact O-N 2.99Å; D647-G649 VanDerWaalsContact O-N 3.14Å; D647-T650 WeakPolarHBondContact O-CB 3.35Å; D647-T650 PolarHBondContact O-N 3.41Å; D647-T650 VanDerWaalsContact O-N 3.13Å; D647-T650 PolarHBondContact O-OG1 3.23Å; D647-T650 VanDerWaalsContact O-OG1 3.13Å
648	Q	70.9	Confident	83.5	Confident	149 Å²	149	72.2 Å²	72.2	70%	0.696	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	119.5	-179.7	-176.3	177.2	7	0	0	111.1	G645	G645-Q648 PolarHBondContact O-N 2.68Å
649	G	77.3	Confident	83.4	Confident	12 Å²	12	75.5 Å²	75.5	12%	0.124	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.5	2.1	179.5	0	0	0	0	0	115.1	T594 E595 L642 D647	T594-G649 WeakPolarHBondContact CA-O 3.36Å; E595-G649 PolarHBondContact N-O 2.92Å; L642-G649 PolarHBondContact O-N 3.41Å; D647-G649 PolarHBondContact O-N 2.99Å; D647-G649 VanDerWaalsContact O-N 3.14Å
650	T	88.1	Confident	83.3	Confident	14 Å²	14	77.6 Å²	77.6	9%	0.086	43%	0.433	C	S	.	.	B	Isolated β-bridge	trans	-69.9	142.6	169.3	-55.8	0	0	0	0	111	E591 L642 D647	E591-T650 WeakPolarHBondContact O-CG2 3.44Å; L642-T650 PolarHBondContact N-O 3.45Å; D647-T650 WeakPolarHBondContact O-CB 3.35Å; D647-T650 PolarHBondContact O-N 3.41Å; D647-T650 VanDerWaalsContact O-N 3.13Å; D647-T650 PolarHBondContact O-OG1 3.23Å; D647-T650 VanDerWaalsContact O-OG1 3.13Å
651	L	90.2	Very high	83.5	Confident	4 Å²	4	73 Å²	73	2%	0.021	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	114.4	-179	-61.1	178.3	0	0	0	109.9	L593 E595 F598 L630 V639	L593-L651 HydrophobicContact CD2-CD1 4.43Å; L593-L651 HydrophobicContact CG-CD1 4.46Å; L593-L651 PolarHBondContact O-N 3.2Å; E595-L651 HydrophobicContact CB-CD2 4.4Å; F598-L651 HydrophobicContact CB-CD1 4.16Å; F598-L651 HydrophobicContact CD2-CD1 3.95Å; F598-L651 HydrophobicContact CG-CD1 4.33Å; L630-L651 HydrophobicContact CD1-CD1 3.97Å; L630-L651 HydrophobicContact CD2-CD1 4.15Å; V639-L651 HydrophobicContact CG1-CB 3.98Å; V639-L651 HydrophobicContact CG1-CD2 4.06Å; V639-L651 HydrophobicContact CG1-CG 4.46Å
652	K	91.1	Very high	83.7	Confident	131 Å²	131	69.6 Å²	69.6	57%	0.57	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	123	172.6	-175.2	175.5	-178	175.6	0	109.9	V639 Q640	V639-K652 CarbonylContact C-O 3.58Å; V639-K652 WeakPolarHBondContact CA-O 3.45Å; Q640-K652 HydrophobicContact CB-CB 4.46Å; Q640-K652 PolarHBondContact N-O 2.87Å; Q640-K652 PolarHBondContact O-N 3.2Å
653	V	92.8	Very high	83.9	Confident	36 Å²	36	69.6 Å²	69.6	22%	0.218	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.4	-176.5	-174.3	0	0	0	0	110.6	L585 T655 V658	L585-V653 HydrophobicContact CB-CG1 4.17Å; L585-V653 HydrophobicContact CB-CG2 4.49Å; L585-V653 HydrophobicContact CD2-CG2 3.94Å; V653-T655 HydrophobicContact CG1-CG2 4.33Å; V653-T655 PolarHBondContact O-N 2.97Å; V653-V658 HydrophobicContact CG1-CB 4.42Å; V653-V658 HydrophobicContact CG1-CG2 3.75Å
654	N	93.3	Very high	84.6	Confident	72 Å²	72	59.3 Å²	59.3	39%	0.385	36%	0.361	S	S	.	.			trans	-89.9	90.4	165.5	-178.1	-19.2	0	0	0	108.7	A638 V656 M657 V658	A638-N654 WeakPolarHBondContact O-CB 3.24Å; A638-N654 PolarHBondContact O-N 3.45Å; N654-V656 VanDerWaalsContact C-N 3.26Å; N654-V656 PolarHBondContact O-N 3.38Å; N654-V656 PolarHBondContact OD1-N 3.22Å; N654-M657 HydrophobicContact CB-CB 4.14Å; N654-M657 PolarHBondContact O-N 3.32Å; N654-M657 VanDerWaalsContact O-N 3.09Å; N654-M657 PolarHBondContact OD1-N 3.1Å; N654-V658 WeakPolarHBondContact O-CG2 3.36Å; N654-V658 PolarHBondContact O-N 2.91Å
655	T	90.8	Very high	86	Confident	74 Å²	74	57.5 Å²	57.5	45%	0.454	34%	0.341	S	S	.	.	H	α-helix	trans	-57.2	-35.8	-173.7	51.1	0	0	0	0	113.4	V653 V658 N659	V653-T655 HydrophobicContact CG1-CG2 4.33Å; V653-T655 PolarHBondContact O-N 2.97Å; T655-V658 PolarHBondContact O-N 3.47Å; T655-N659 VanDerWaalsContact O-CB 3.31Å; T655-N659 WeakPolarHBondContact O-CB 3.45Å; T655-N659 VanDerWaalsContact O-CG 3.3Å; T655-N659 PolarHBondContact O-N 3.09Å; T655-N659 PolarHBondContact O-ND2 3.48Å
656	V	92.7	Very high	86.8	Confident	113 Å²	113	56.3 Å²	56.3	69%	0.685	33%	0.328	S	S	*	.	H	α-helix	trans	-64.4	-45.6	177	179.4	0	0	0	0	111.1	N654 S660	N654-V656 VanDerWaalsContact C-N 3.26Å; N654-V656 PolarHBondContact O-N 3.38Å; N654-V656 PolarHBondContact OD1-N 3.22Å; V656-S660 WeakPolarHBondContact O-CB 3.43Å; V656-S660 PolarHBondContact O-N 3.22Å; V656-S660 VanDerWaalsContact O-N 3.1Å
657	M	94.2	Very high	87.3	Confident	73 Å²	73	52.7 Å²	52.7	36%	0.36	30%	0.302	S	S	.	.	H	α-helix	trans	-69.4	-40.9	178.6	-173.3	175	-79.1	0	0	111.4	A638 N654 S660 L661	A638-M657 VanDerWaalsContact CA-SD 3.51Å; A638-M657 HydrophobicContact CB-CB 4.31Å; A638-M657 HydrophobicContact CB-CG 3.81Å; A638-M657 HydrophobicContact CB-SD 3.73Å; A638-M657 PolarHBondContact N-SD 2.9Å; N654-M657 HydrophobicContact CB-CB 4.14Å; N654-M657 PolarHBondContact O-N 3.32Å; N654-M657 VanDerWaalsContact O-N 3.09Å; N654-M657 PolarHBondContact OD1-N 3.1Å; M657-S660 WeakPolarHBondContact O-CB 3.47Å; M657-S660 PolarHBondContact O-N 3.23Å; M657-L661 HydrophobicContact CG-CD1 4.34Å; M657-L661 VanDerWaalsContact O-CG 3.31Å; M657-L661 WeakPolarHBondContact O-CG 3.49Å; M657-L661 PolarHBondContact O-N 2.83Å
658	V	93.6	Very high	87.1	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64.2	-43.8	178	175.5	0	0	0	0	111.6	C582 L585 C586 A638 V653 N654 T655 S660 L661 E662	C582-V658 HydrophobicContact CB-CG1 3.61Å; C582-V658 VanDerWaalsContact O-CG1 3.29Å; C582-V658 WeakPolarHBondContact O-CG1 3.48Å; L585-V658 HydrophobicContact CB-CG1 4.18Å; C586-V658 WeakPolarHBondContact SG-CG1 3.49Å; A638-V658 HydrophobicContact CB-CG2 3.93Å; V653-V658 HydrophobicContact CG1-CB 4.42Å; V653-V658 HydrophobicContact CG1-CG2 3.75Å; N654-V658 WeakPolarHBondContact O-CG2 3.36Å; N654-V658 PolarHBondContact O-N 2.91Å; T655-V658 PolarHBondContact O-N 3.47Å; V658-S660 PolarHBondContact O-N 3.42Å; V658-L661 PolarHBondContact O-N 2.88Å; V658-E662 PolarHBondContact O-N 3Å
659	N	93.1	Very high	85.5	Confident	69 Å²	69	52.8 Å²	52.8	37%	0.369	30%	0.299	S	S	.	.	H	α-helix	trans	-59.9	-44.4	173.9	-78.8	-27.2	0	0	0	111.8	C586 T655 L661 E662 D663	C586-N659 PolarHBondContact SG-OD1 3.15Å; T655-N659 VanDerWaalsContact O-CB 3.31Å; T655-N659 WeakPolarHBondContact O-CB 3.45Å; T655-N659 VanDerWaalsContact O-CG 3.3Å; T655-N659 PolarHBondContact O-N 3.09Å; T655-N659 PolarHBondContact O-ND2 3.48Å; N659-L661 VanDerWaalsContact C-N 3.3Å; N659-L661 PolarHBondContact O-N 3.48Å; N659-E662 WeakPolarHBondContact O-CB 3.47Å; N659-E662 PolarHBondContact O-N 3.5Å; N659-D663 PolarHBondContact O-N 3.16Å
660	S	93.5	Very high	83.6	Confident	45 Å²	45	54.7 Å²	54.7	32%	0.315	31%	0.31	S	S	.	.	H	α-helix	trans	-59.5	-41	176.1	-179.2	0	0	0	0	112.2	V656 M657 V658 T664 P670	V656-S660 WeakPolarHBondContact O-CB 3.43Å; V656-S660 PolarHBondContact O-N 3.22Å; V656-S660 VanDerWaalsContact O-N 3.1Å; M657-S660 WeakPolarHBondContact O-CB 3.47Å; M657-S660 PolarHBondContact O-N 3.23Å; V658-S660 PolarHBondContact O-N 3.42Å; S660-T664 WeakPolarHBondContact O-CB 3.35Å; S660-T664 PolarHBondContact O-N 3.46Å; S660-T664 PolarHBondContact O-OG1 3.31Å; S660-P670 WeakPolarHBondContact OG-CB 3.4Å
661	L	94.4	Very high	80.9	Confident	15 Å²	15	60.6 Å²	60.6	8%	0.079	35%	0.346	C	S	.	.	H	α-helix	trans	-67.8	-40.6	175.3	-68.6	172.7	0	0	0	112.2	F514 L633 L636 A638 M657 V658 N659 T664 L665	F514-L661 HydrophobicContact CE2-CD2 3.58Å; F514-L661 HydrophobicContact CZ-CD2 3.9Å; L633-L661 HydrophobicContact CD2-CD1 3.56Å; L636-L661 HydrophobicContact CD1-CD1 4.25Å; L636-L661 HydrophobicContact CD1-CD2 4.3Å; A638-L661 HydrophobicContact CB-CD1 3.72Å; M657-L661 HydrophobicContact CG-CD1 4.34Å; M657-L661 VanDerWaalsContact O-CG 3.31Å; M657-L661 WeakPolarHBondContact O-CG 3.49Å; M657-L661 PolarHBondContact O-N 2.83Å; V658-L661 PolarHBondContact O-N 2.88Å; N659-L661 VanDerWaalsContact C-N 3.3Å; N659-L661 PolarHBondContact O-N 3.48Å; L661-T664 PolarHBondContact O-N 3.44Å; L661-L665 WeakPolarHBondContact O-CB 3.2Å; L661-L665 VanDerWaalsContact O-CG 3.28Å; L661-L665 WeakPolarHBondContact O-CG 3.5Å; L661-L665 PolarHBondContact O-N 3.05Å
662	E	94	Very high	78.1	Confident	25 Å²	25	69.3 Å²	69.3	12%	0.117	39%	0.387	C	S	.	.	H	α-helix	trans	-58.8	-47.9	174.6	-169.8	-166.2	166.3	0	0	111.4	Q579 C582 R583 V658 N659 L665 G666	Q579-E662 HydrophobicContact CG-CG 3.63Å; Q579-E662 PolarHBondContact NE2-O 3.46Å; C582-E662 HydrophobicContact CB-CB 3.8Å; C582-E662 HydrophobicContact CB-CG 4.25Å; R583-E662 IonicContact CZ-OE1 3.3Å; R583-E662 VanDerWaalsContact CZ-OE1 3.3Å; R583-E662 IonicContact NE-OE1 2.88Å; R583-E662 PolarHBondContact NE-OE1 3.13Å; R583-E662 IonicContact NH2-OE1 3.91Å; R583-E662 PolarHBondContact NH2-OE1 3.39Å; V658-E662 PolarHBondContact O-N 3Å; N659-E662 WeakPolarHBondContact O-CB 3.47Å; N659-E662 PolarHBondContact O-N 3.5Å; E662-L665 PolarHBondContact O-N 3.33Å; E662-G666 PolarHBondContact O-N 3.13Å
663	D	90.2	Very high	75.2	Confident	66 Å²	66	72.6 Å²	72.6	35%	0.353	40%	0.401	S	S	.	.	H	α-helix	trans	-61.2	-48.3	178.3	-81.5	-31.5	0	0	0	110.7	N659 L665 G666 G667 K668	N659-D663 PolarHBondContact O-N 3.16Å; D663-L665 VanDerWaalsContact C-N 3.33Å; D663-L665 PolarHBondContact O-N 2.94Å; D663-G666 CarbonylContact O-C 3.58Å; D663-G666 WeakPolarHBondContact O-CA 3.5Å; D663-G666 PolarHBondContact O-N 3.46Å; D663-G667 PolarHBondContact O-N 3.03Å; D663-K668 CarbonylContact C-O 3.52Å; D663-K668 HydrophobicContact CB-CB 4.01Å; D663-K668 CarbonylContact O-C 3.06Å; D663-K668 WeakPolarHBondContact O-CA 3.21Å; D663-K668 WeakPolarHBondContact O-CB 3.29Å; D663-K668 PolarHBondContact O-N 3.26Å
664	T	89.9	Confident	72.1	Confident	25 Å²	25	77.1 Å²	77.1	15%	0.153	43%	0.429	C	S	.	.	H	α-helix	trans	-59.8	-43.7	179.9	-48.7	0	0	0	0	111.5	F514 S660 L661 G666 G667 K668 P670	F514-T664 HydrophobicContact CD1-CG2 3.68Å; F514-T664 HydrophobicContact CD2-CG2 4.41Å; F514-T664 HydrophobicContact CE1-CG2 3.36Å; F514-T664 HydrophobicContact CE2-CG2 4.14Å; F514-T664 HydrophobicContact CG-CG2 4.2Å; F514-T664 HydrophobicContact CZ-CG2 3.62Å; S660-T664 WeakPolarHBondContact O-CB 3.35Å; S660-T664 PolarHBondContact O-N 3.46Å; S660-T664 PolarHBondContact O-OG1 3.31Å; L661-T664 PolarHBondContact O-N 3.44Å; T664-G666 VanDerWaalsContact C-N 3.28Å; T664-G666 PolarHBondContact O-N 3.42Å; T664-G667 PolarHBondContact O-N 2.9Å; T664-K668 VanDerWaalsContact CA-O 3.31Å; T664-K668 WeakPolarHBondContact CA-O 3.29Å; T664-K668 PolarHBondContact N-O 3Å; T664-P670 VanDerWaalsContact OG1-CD 3.24Å; T664-P670 WeakPolarHBondContact OG1-CD 3.31Å; T664-P670 WeakPolarHBondContact OG1-CG 3.45Å
665	L	90	Very high	69	Low	10 Å²	10	81.8 Å²	81.8	5%	0.052	45%	0.453	C	S	.	.	H	α-helix	trans	-66.6	-30	175.9	-73.2	168.5	0	0	0	112.4	F514 L515 M518 V575 Q579 L661 E662 D663 G667	F514-L665 HydrophobicContact CE1-CD2 4.18Å; F514-L665 HydrophobicContact CE1-CG 4.41Å; F514-L665 HydrophobicContact CZ-CG 4.47Å; L515-L665 HydrophobicContact CD2-CD2 4.33Å; M518-L665 HydrophobicContact CE-CD1 4.36Å; M518-L665 HydrophobicContact CG-CD2 4.35Å; V575-L665 HydrophobicContact CG1-CD2 4.45Å; V575-L665 WeakPolarHBondContact CG1-O 3.39Å; Q579-L665 HydrophobicContact CB-CB 4.18Å; Q579-L665 HydrophobicContact CG-CB 4.44Å; L661-L665 WeakPolarHBondContact O-CB 3.2Å; L661-L665 VanDerWaalsContact O-CG 3.28Å; L661-L665 WeakPolarHBondContact O-CG 3.5Å; L661-L665 PolarHBondContact O-N 3.05Å; E662-L665 PolarHBondContact O-N 3.33Å; D663-L665 VanDerWaalsContact C-N 3.33Å; D663-L665 PolarHBondContact O-N 2.94Å; L665-G667 PolarHBondContact O-N 3.22Å
666	G	81.8	Confident	66.1	Low	40 Å²	40	82.2 Å²	82.2	41%	0.412	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	4.9	174	0	0	0	0	0	115	E662 D663 T664 K668	E662-G666 PolarHBondContact O-N 3.13Å; D663-G666 CarbonylContact O-C 3.58Å; D663-G666 WeakPolarHBondContact O-CA 3.5Å; D663-G666 PolarHBondContact O-N 3.46Å; T664-G666 VanDerWaalsContact C-N 3.28Å; T664-G666 PolarHBondContact O-N 3.42Å; G666-K668 VanDerWaalsContact C-N 3.26Å; G666-K668 PolarHBondContact O-N 3.03Å
667	G	71.1	Confident	63.1	Low	35 Å²	35	81.5 Å²	81.5	36%	0.361	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	9.7	-176.8	0	0	0	0	0	113.9	D663 T664 L665	D663-G667 PolarHBondContact O-N 3.03Å; T664-G667 PolarHBondContact O-N 2.9Å; L665-G667 PolarHBondContact O-N 3.22Å
668	K	55.3	Low	60.2	Low	143 Å²	143	89.7 Å²	89.7	62%	0.622	50%	0.497	S	S	*	.			trans	-92.1	107.1	169.2	-66.5	177.9	-178.1	175.3	0	107.9	D663 T664 G666	D663-K668 CarbonylContact C-O 3.52Å; D663-K668 HydrophobicContact CB-CB 4.01Å; D663-K668 CarbonylContact O-C 3.06Å; D663-K668 WeakPolarHBondContact O-CA 3.21Å; D663-K668 WeakPolarHBondContact O-CB 3.29Å; D663-K668 PolarHBondContact O-N 3.26Å; T664-K668 VanDerWaalsContact CA-O 3.31Å; T664-K668 WeakPolarHBondContact CA-O 3.29Å; T664-K668 PolarHBondContact N-O 3Å; G666-K668 VanDerWaalsContact C-N 3.26Å; G666-K668 PolarHBondContact O-N 3.03Å
669	L	39.1	Very low	57.2	Low	106 Å²	106	101.6 Å²	101.6	56%	0.555	56%	0.559	S	S	*	*			trans	-59.5	132	176.3	-74.5	164.5	0	0	0	109.9	T671	L669-T671 PolarHBondContact O-N 2.97Å
670	P	36.2	Very low	55.4	Low	52 Å²	52	103.3 Å²	103.3	34%	0.338	57%	0.569	S	S	.	*			trans	-66	127.4	170.2	26.1	-28.7	0	0	0	107.4	S660 T664 Q672	S660-P670 WeakPolarHBondContact OG-CB 3.4Å; T664-P670 VanDerWaalsContact OG1-CD 3.24Å; T664-P670 WeakPolarHBondContact OG1-CD 3.31Å; T664-P670 WeakPolarHBondContact OG1-CG 3.45Å; P670-Q672 PolarHBondContact O-N 2.93Å
671	T	30.7	Very low	53.4	Low	139 Å²	139	106.3 Å²	106.3	85%	0.853	58%	0.582	S	S	*	*			trans	-57.6	105.3	171	26.2	0	0	0	0	108	L669 K673	L669-T671 PolarHBondContact O-N 2.97Å; T671-K673 PolarHBondContact O-N 3.08Å
672	Q	32.8	Very low	51.1	Low	186 Å²	186	111.4 Å²	111.4	87%	0.869	61%	0.61	S	S	*	*			trans	-57	107.7	169.6	-86	-175.2	-15.4	0	0	107.6	P670 T674	P670-Q672 PolarHBondContact O-N 2.93Å; Q672-T674 PolarHBondContact O-N 3.13Å; Q672-T674 VanDerWaalsContact O-N 3.13Å
673	K	30.7	Very low	48.6	Very low	200 Å²	200	116.5 Å²	116.5	87%	0.87	64%	0.639	S	S	*	*			trans	-64.8	111.5	156.3	-89.3	-176	176.4	177.5	0	106.2	T671 L675	T671-K673 PolarHBondContact O-N 3.08Å; K673-L675 PolarHBondContact O-N 3.08Å; K673-L675 VanDerWaalsContact O-N 3.08Å
674	T	27	Very low	46	Very low	132 Å²	132	119.6 Å²	119.6	81%	0.81	66%	0.657	S	S	*	*			trans	-41.9	115.3	167.4	-31.5	0	0	0	0	108.5	Q672 A676	Q672-T674 PolarHBondContact O-N 3.13Å; Q672-T674 VanDerWaalsContact O-N 3.13Å; T674-A676 PolarHBondContact O-N 2.9Å
675	L	29	Very low	43.1	Very low	169 Å²	169	125.9 Å²	125.9	89%	0.885	69%	0.691	S	S	*	*			trans	-57.6	106.4	164.2	-107.9	138.3	0	0	0	105.9	K673 A677	K673-L675 PolarHBondContact O-N 3.08Å; K673-L675 VanDerWaalsContact O-N 3.08Å; L675-A677 PolarHBondContact O-N 3.3Å
676	A	28.9	Very low	39.7	Very low	83 Å²	83	134.2 Å²	134.2	69%	0.686	74%	0.737	S	S	*	*			trans	-58.9	109.3	171.5	0	0	0	0	0	107.1	T674 R678	T674-A676 PolarHBondContact O-N 2.9Å; A676-R678 PolarHBondContact O-N 3.27Å; A676-R678 VanDerWaalsContact O-N 3.08Å
677	A	30.6	Very low	36.5	Very low	99 Å²	99	141.5 Å²	141.5	82%	0.818	76%	0.761	S	S	*	*			trans	-53	114.8	163.7	0	0	0	0	0	107.3	L675	L675-A677 PolarHBondContact O-N 3.3Å
678	R	31.8	Very low	33.6	Very low	245 Å²	245	150.3 Å²	150.3	93%	0.925	80%	0.795	S	S	*	*			trans	-83.6	118.7	160.7	-78	-174.4	173.8	-178.7	-1.9	106.3	A676	A676-R678 PolarHBondContact O-N 3.27Å; A676-R678 VanDerWaalsContact O-N 3.08Å
679	L	30.9	Very low	31.6	Very low	250 Å²	250	151 Å²	151	100%	1.309	81%	0.811	S	S	*	*			trans	-47.9	0	168.8	-79.4	156.5	0	0	0	112.2

Retrieved 679 of 679 residues in 501.5 ms (Link to these results)

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