A0A3B3V688_9TELE Loading...

Synaptophysin like 2

AlphaFold DB , UniProt , Accession A0A3B3V688, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 239 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	49.2	Very low	56.3	Low	206 Å²	206	110.5 Å²	110.5	100%	1.015	62%	0.62	S	S	*	*				0	-17.9	0	-78	170.2	-77.2	0	0	111.6	S3	M1-S3 PolarHBondContact O-N 2.92Å
2	D	55.4	Low	56.9	Low	126 Å²	126	103.9 Å²	103.9	67%	0.674	60%	0.596	S	S	*	*	H	α-helix	trans	-72.6	-29.4	-174.9	-46.2	-67.4	0	0	0	114.2	V4 Q6	D2-V4 PolarHBondContact O-N 3.38Å; D2-Q6 WeakPolarHBondContact O-CB 3.46Å; D2-Q6 PolarHBondContact O-N 3.42Å
3	S	59	Low	57.9	Low	87 Å²	87	100.2 Å²	100.2	61%	0.608	57%	0.569	S	S	*	*	H	α-helix	trans	-67	-32.4	178.5	176.7	0	0	0	0	113.8	M1 K7	M1-S3 PolarHBondContact O-N 2.92Å; S3-K7 WeakPolarHBondContact O-CB 3.12Å; S3-K7 PolarHBondContact O-N 3.31Å; S3-K7 VanDerWaalsContact O-N 3.14Å
4	V	60.4	Low	58.9	Low	102 Å²	102	99.8 Å²	99.8	62%	0.618	57%	0.57	S	S	*	*	H	α-helix	trans	-78.7	-44.7	178.6	179.7	0	0	0	0	110.1	D2 Q6 K7 V8	D2-V4 PolarHBondContact O-N 3.38Å; V4-Q6 VanDerWaalsContact C-N 3.31Å; V4-Q6 PolarHBondContact O-N 2.7Å; V4-K7 PolarHBondContact O-N 3.43Å; V4-V8 HydrophobicContact CG1-CG2 4.37Å; V4-V8 WeakPolarHBondContact O-CB 3.16Å; V4-V8 VanDerWaalsContact O-CG2 3.25Å; V4-V8 WeakPolarHBondContact O-CG2 3.13Å; V4-V8 PolarHBondContact O-N 3.42Å
5	A	57.7	Low	59.6	Low	54 Å²	54	99.5 Å²	99.5	45%	0.446	57%	0.565	S	S	.	*	H	α-helix	trans	-59.4	-42.5	175.6	0	0	0	0	0	111.7	V8 L9	A5-V8 PolarHBondContact O-N 2.85Å; A5-L9 WeakPolarHBondContact O-CB 3.09Å; A5-L9 PolarHBondContact O-N 3.34Å
6	Q	53.4	Low	60.6	Low	141 Å²	141	98.6 Å²	98.6	66%	0.659	56%	0.558	S	S	*	*	H	α-helix	trans	-68.8	-36.2	178.2	-164.7	162.4	-21.1	0	0	112.4	D2 V4 S10	D2-Q6 WeakPolarHBondContact O-CB 3.46Å; D2-Q6 PolarHBondContact O-N 3.42Å; V4-Q6 VanDerWaalsContact C-N 3.31Å; V4-Q6 PolarHBondContact O-N 2.7Å; Q6-S10 PolarHBondContact O-N 3.01Å; Q6-S10 PolarHBondContact O-OG 3.48Å
7	K	56.8	Low	61.4	Low	152 Å²	152	100.1 Å²	100.1	66%	0.661	56%	0.557	S	S	*	*	H	α-helix	trans	-65.4	-41.2	172.8	-93.4	-177.9	174.2	-179.5	0	113	S3 V4 S10 S11	S3-K7 WeakPolarHBondContact O-CB 3.12Å; S3-K7 PolarHBondContact O-N 3.31Å; S3-K7 VanDerWaalsContact O-N 3.14Å; V4-K7 PolarHBondContact O-N 3.43Å; K7-S10 VanDerWaalsContact CA-OG 3.27Å; K7-S10 WeakPolarHBondContact CA-OG 3.22Å; K7-S10 PolarHBondContact O-N 3.47Å; K7-S10 PolarHBondContact O-OG 2.91Å; K7-S11 PolarHBondContact O-N 3.09Å; K7-S11 VanDerWaalsContact O-N 3.13Å
8	V	56.3	Low	62	Low	56 Å²	56	96.3 Å²	96.3	34%	0.339	55%	0.545	S	S	.	.	H	α-helix	trans	-68	-40.1	178.3	171.4	0	0	0	0	111.1	V4 A5 S11 F13	V4-V8 HydrophobicContact CG1-CG2 4.37Å; V4-V8 WeakPolarHBondContact O-CB 3.16Å; V4-V8 VanDerWaalsContact O-CG2 3.25Å; V4-V8 WeakPolarHBondContact O-CG2 3.13Å; V4-V8 PolarHBondContact O-N 3.42Å; A5-V8 PolarHBondContact O-N 2.85Å; V8-S11 PolarHBondContact O-N 2.9Å; V8-S11 PolarHBondContact O-OG 2.96Å; V8-S11 VanDerWaalsContact O-OG 3.05Å; V8-F13 HydrophobicContact CG1-CB 3.68Å; V8-F13 HydrophobicContact CG1-CD1 3.39Å; V8-F13 HydrophobicContact CG1-CE1 4.24Å; V8-F13 HydrophobicContact CG1-CG 3.77Å; V8-F13 WeakPolarHBondContact O-CB 3.24Å; V8-F13 PolarHBondContact O-N 2.66Å
9	L	53.8	Low	62.5	Low	132 Å²	132	91.5 Å²	91.5	69%	0.691	52%	0.518	S	S	*	.	H	α-helix	trans	-63.2	-39.6	172.2	-83.7	156.6	0	0	0	112.1	A5 S11 G12	A5-L9 WeakPolarHBondContact O-CB 3.09Å; A5-L9 PolarHBondContact O-N 3.34Å; L9-S11 VanDerWaalsContact C-N 3.29Å; L9-S11 PolarHBondContact O-N 2.88Å; L9-G12 PolarHBondContact O-N 3.45Å
10	S	56.9	Low	63	Low	97 Å²	97	89.3 Å²	89.3	68%	0.678	50%	0.504	S	S	*	.	H	α-helix	trans	-74.1	-12.5	176.7	49.8	0	0	0	0	114.9	Q6 K7 G12	Q6-S10 PolarHBondContact O-N 3.01Å; Q6-S10 PolarHBondContact O-OG 3.48Å; K7-S10 VanDerWaalsContact CA-OG 3.27Å; K7-S10 WeakPolarHBondContact CA-OG 3.22Å; K7-S10 PolarHBondContact O-N 3.47Å; K7-S10 PolarHBondContact O-OG 2.91Å; S10-G12 VanDerWaalsContact C-N 3.31Å
11	S	60.3	Low	63.6	Low	62 Å²	62	94.2 Å²	94.2	43%	0.434	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-0.8	172.4	78.4	0	0	0	0	113.3	K7 V8 L9 Y127	K7-S11 PolarHBondContact O-N 3.09Å; K7-S11 VanDerWaalsContact O-N 3.13Å; V8-S11 PolarHBondContact O-N 2.9Å; V8-S11 PolarHBondContact O-OG 2.96Å; V8-S11 VanDerWaalsContact O-OG 3.05Å; L9-S11 VanDerWaalsContact C-N 3.29Å; L9-S11 PolarHBondContact O-N 2.88Å; S11-Y127 WeakPolarHBondContact O-CE1 3.24Å; S11-Y127 PolarHBondContact OG-OH 3.42Å
12	G	63.4	Low	65.1	Low	32 Å²	32	87.7 Å²	87.7	33%	0.33	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	19.4	-177.6	0	0	0	0	0	113.9	L9 S10 T14	L9-G12 PolarHBondContact O-N 3.45Å; S10-G12 VanDerWaalsContact C-N 3.31Å; G12-T14 PolarHBondContact O-N 2.04Å
13	F	69.5	Low	66.4	Low	55 Å²	55	85 Å²	85	24%	0.241	48%	0.477	C	S	.	.			trans	-73.8	111.8	174.3	-179.5	-100	0	0	0	110.3	V8 L15 G126 Y127	V8-F13 HydrophobicContact CG1-CB 3.68Å; V8-F13 HydrophobicContact CG1-CD1 3.39Å; V8-F13 HydrophobicContact CG1-CE1 4.24Å; V8-F13 HydrophobicContact CG1-CG 3.77Å; V8-F13 WeakPolarHBondContact O-CB 3.24Å; V8-F13 PolarHBondContact O-N 2.66Å; F13-L15 HydrophobicContact CE1-CB 4.02Å; F13-L15 HydrophobicContact CE1-CD1 4.03Å; F13-L15 HydrophobicContact CZ-CB 4.25Å; F13-L15 HydrophobicContact CZ-CD1 3.58Å; F13-G126 VanDerWaalsContact CD2-CA 3.5Å; F13-G126 VanDerWaalsContact CE2-CA 3.45Å; F13-Y127 HydrophobicContact CB-CE1 4.36Å; F13-Y127 HydrophobicContact CD2-CD2 4.37Å; F13-Y127 AromaticContact CD2-CE2 3.81Å; F13-Y127 HydrophobicContact CD2-CE2 3.81Å
14	T	71.8	Confident	67.4	Low	95 Å²	95	81.6 Å²	81.6	58%	0.583	45%	0.452	S	S	*	.			trans	-119.2	110.8	171.6	55.4	0	0	0	0	108.2	G12 D16 G126	G12-T14 PolarHBondContact O-N 2.04Å; T14-D16 PolarHBondContact O-N 3.3Å; T14-G126 PolarHBondContact N-O 3.37Å
15	L	70.7	Confident	68.6	Low	95 Å²	95	76.9 Å²	76.9	50%	0.497	42%	0.423	S	S	.	.			trans	-75.3	104.1	-179.5	-168.7	100.7	0	0	0	109.9	F13 F17 L125	F13-L15 HydrophobicContact CE1-CB 4.02Å; F13-L15 HydrophobicContact CE1-CD1 4.03Å; F13-L15 HydrophobicContact CZ-CB 4.25Å; F13-L15 HydrophobicContact CZ-CD1 3.58Å; L15-F17 HydrophobicContact CD2-CD2 4.23Å; L15-F17 HydrophobicContact CD2-CE1 4.16Å; L15-F17 HydrophobicContact CD2-CE2 3.42Å; L15-F17 VanDerWaalsContact CD2-CE2 3.42Å; L15-F17 HydrophobicContact CD2-CZ 3.4Å; L15-F17 VanDerWaalsContact CD2-CZ 3.4Å; L15-F17 HydrophobicContact CG-CE2 4.41Å; L15-F17 HydrophobicContact CG-CZ 4.3Å; L15-L125 WeakPolarHBondContact CA-O 3.49Å
16	D	74.2	Confident	70.1	Confident	86 Å²	86	79.4 Å²	79.4	46%	0.46	42%	0.424	S	S	.	.			trans	-112.3	126.3	171.8	-170.9	4.3	0	0	0	109.9	T14 G18 P19 L125	T14-D16 PolarHBondContact O-N 3.3Å; D16-G18 PolarHBondContact OD1-N 3.37Å; D16-P19 WeakPolarHBondContact O-CD 3.11Å; D16-L125 PolarHBondContact N-O 3.3Å; D16-L125 VanDerWaalsContact O-CD2 3.31Å; D16-L125 WeakPolarHBondContact O-CD2 3.34Å
17	F	74.5	Confident	71.9	Confident	123 Å²	123	73.8 Å²	73.8	54%	0.539	40%	0.399	S	S	.	.			trans	-89.5	-5.8	174.8	-66.5	-68.5	0	0	0	112.6	L15 P19 L20	L15-F17 HydrophobicContact CD2-CD2 4.23Å; L15-F17 HydrophobicContact CD2-CE1 4.16Å; L15-F17 HydrophobicContact CD2-CE2 3.42Å; L15-F17 VanDerWaalsContact CD2-CE2 3.42Å; L15-F17 HydrophobicContact CD2-CZ 3.4Å; L15-F17 VanDerWaalsContact CD2-CZ 3.4Å; L15-F17 HydrophobicContact CG-CE2 4.41Å; L15-F17 HydrophobicContact CG-CZ 4.3Å; F17-P19 VanDerWaalsContact C-CD 3.43Å; F17-P19 VanDerWaalsContact C-N 3.28Å; F17-L20 HydrophobicContact CB-CD1 4.45Å; F17-L20 HydrophobicContact CD1-CD1 3.62Å; F17-L20 HydrophobicContact CD1-CG 4.49Å; F17-L20 HydrophobicContact CE1-CD1 4.37Å; F17-L20 HydrophobicContact CG-CD1 4.49Å; F17-L20 WeakPolarHBondContact O-CB 3.49Å; F17-L20 PolarHBondContact O-N 2.91Å
18	G	72.1	Confident	73.6	Confident	32 Å²	32	66.6 Å²	66.6	33%	0.33	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-45.7	-46	172.1	0	0	0	0	0	113.5	D16 L20 K21	D16-G18 PolarHBondContact OD1-N 3.37Å; G18-L20 VanDerWaalsContact C-N 3.27Å; G18-L20 PolarHBondContact O-N 2.98Å; G18-K21 WeakPolarHBondContact O-CB 3.34Å; G18-K21 PolarHBondContact O-N 3.12Å
19	P	72.6	Confident	75.3	Confident	5 Å²	5	66.9 Å²	66.9	3%	0.032	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-61.5	-25	177.3	-27.7	38	0	0	0	115.1	D16 F17 K21 E22 A25 L125	D16-P19 WeakPolarHBondContact O-CD 3.11Å; F17-P19 VanDerWaalsContact C-CD 3.43Å; F17-P19 VanDerWaalsContact C-N 3.28Å; P19-K21 PolarHBondContact O-N 3.07Å; P19-E22 WeakPolarHBondContact O-CA 3.35Å; P19-E22 VanDerWaalsContact O-CB 3.29Å; P19-E22 WeakPolarHBondContact O-CB 3.29Å; P19-E22 PolarHBondContact O-N 2.87Å; P19-A25 HydrophobicContact CB-CB 4.38Å; P19-A25 VanDerWaalsContact O-CB 3.3Å; P19-A25 WeakPolarHBondContact O-CB 3.12Å; P19-L125 HydrophobicContact CB-CD2 4.39Å
20	L	72.7	Confident	77.2	Confident	48 Å²	48	63 Å²	63	25%	0.251	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-66	-17.9	175.6	-67.6	-179.5	0	0	0	112.9	F17 G18 E22 A25 L125	F17-L20 HydrophobicContact CB-CD1 4.45Å; F17-L20 HydrophobicContact CD1-CD1 3.62Å; F17-L20 HydrophobicContact CD1-CG 4.49Å; F17-L20 HydrophobicContact CE1-CD1 4.37Å; F17-L20 HydrophobicContact CG-CD1 4.49Å; F17-L20 WeakPolarHBondContact O-CB 3.49Å; F17-L20 PolarHBondContact O-N 2.91Å; G18-L20 VanDerWaalsContact C-N 3.27Å; G18-L20 PolarHBondContact O-N 2.98Å; L20-E22 VanDerWaalsContact C-N 3.32Å; L20-A25 HydrophobicContact CD2-CB 4.15Å; L20-L125 HydrophobicContact CD1-CD2 4.45Å; L20-L125 HydrophobicContact CD2-CD1 4.49Å; L20-L125 HydrophobicContact CD2-CD2 3.93Å; L20-L125 HydrophobicContact CG-CD2 3.75Å
21	K	75.1	Confident	79.1	Confident	193 Å²	193	58.4 Å²	58.4	84%	0.839	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-81.1	-16.8	171.8	-58.9	179.9	-177.7	175.8	0	111.9	G18 P19	G18-K21 WeakPolarHBondContact O-CB 3.34Å; G18-K21 PolarHBondContact O-N 3.12Å; P19-K21 PolarHBondContact O-N 3.07Å
22	E	81.4	Confident	80.8	Confident	69 Å²	69	59.3 Å²	59.3	32%	0.322	31%	0.308	S	S	.	.	S	Bend	trans	-78.1	142.2	172.1	-60	-177	173.9	0	0	109.6	P19 L20 L24 A25 F26 R132	P19-E22 WeakPolarHBondContact O-CA 3.35Å; P19-E22 VanDerWaalsContact O-CB 3.29Å; P19-E22 WeakPolarHBondContact O-CB 3.29Å; P19-E22 PolarHBondContact O-N 2.87Å; L20-E22 VanDerWaalsContact C-N 3.32Å; E22-L24 PolarHBondContact O-N 3.21Å; E22-L24 VanDerWaalsContact O-N 3.1Å; E22-A25 PolarHBondContact O-N 2.03Å; E22-F26 PolarHBondContact O-N 3.5Å; E22-R132 IonicContact OE1-NH2 2.69Å; E22-R132 PolarHBondContact OE1-NH2 3.27Å; E22-R132 IonicContact OE2-NH2 2.86Å; E22-R132 PolarHBondContact OE2-NH2 3.05Å; E22-R132 VanDerWaalsContact OE2-NH2 3.1Å
23	P	80.8	Confident	82.3	Confident	69 Å²	69	60 Å²	60	45%	0.448	31%	0.305	S	S	.	.	H	α-helix	trans	-59.4	-28.7	-177	23	-33.4	0	0	0	112.7	I27 F219	P23-I27 WeakPolarHBondContact O-CB 3.23Å; P23-I27 WeakPolarHBondContact O-CD1 3.35Å; P23-I27 WeakPolarHBondContact O-CG1 3.38Å; P23-I27 PolarHBondContact O-N 2.99Å; P23-F219 HydrophobicContact CB-CD1 4.08Å; P23-F219 HydrophobicContact CB-CE1 3.88Å; P23-F219 HydrophobicContact CB-CZ 4.23Å; P23-F219 HydrophobicContact CG-CD1 3.89Å; P23-F219 HydrophobicContact CG-CE1 3.89Å
24	L	82	Confident	83.6	Confident	16 Å²	16	59.7 Å²	59.7	8%	0.084	30%	0.304	C	S	.	.	H	α-helix	trans	-62.5	-55.5	-178.5	-176.9	70.7	0	0	0	112.7	E22 R28 Y124 N216 F219 I220	E22-L24 PolarHBondContact O-N 3.21Å; E22-L24 VanDerWaalsContact O-N 3.1Å; L24-R28 PolarHBondContact O-N 3.49Å; L24-Y124 HydrophobicContact CD2-CE1 4.46Å; L24-Y124 HydrophobicContact CD2-CE2 4.21Å; L24-Y124 HydrophobicContact CG-CE2 4.05Å; L24-N216 WeakPolarHBondContact CD1-OD1 3.13Å; L24-F219 HydrophobicContact CD1-CB 4.28Å; L24-I220 HydrophobicContact CD1-CB 4.38Å; L24-I220 HydrophobicContact CD1-CD1 4.4Å; L24-I220 HydrophobicContact CD1-CG1 3.35Å
25	A	84.7	Confident	84.7	Confident	2 Å²	2	55.2 Å²	55.2	2%	0.017	28%	0.277	C	S	.	.	H	α-helix	trans	-75.5	-29.6	-177.8	0	0	0	0	0	111.8	P19 L20 E22 R28 L29 Y124	P19-A25 HydrophobicContact CB-CB 4.38Å; P19-A25 VanDerWaalsContact O-CB 3.3Å; P19-A25 WeakPolarHBondContact O-CB 3.12Å; L20-A25 HydrophobicContact CD2-CB 4.15Å; E22-A25 PolarHBondContact O-N 2.03Å; A25-R28 PolarHBondContact O-N 2.88Å; A25-L29 PolarHBondContact O-N 3.03Å; A25-Y124 HydrophobicContact CB-CD2 3.93Å
26	F	89.3	Confident	85.9	Confident	107 Å²	107	53.2 Å²	53.2	47%	0.469	27%	0.266	S	S	.	.	H	α-helix	trans	-63.1	-47.6	174	-178.8	-105.8	0	0	0	112.2	E22 R28 L29 L30	E22-F26 PolarHBondContact O-N 3.5Å; F26-R28 VanDerWaalsContact C-N 3.29Å; F26-R28 PolarHBondContact O-N 2.98Å; F26-L29 WeakPolarHBondContact O-CB 3.49Å; F26-L29 PolarHBondContact O-N 3.26Å; F26-L30 HydrophobicContact CD1-CD1 4.2Å; F26-L30 HydrophobicContact CE1-CD1 3.63Å; F26-L30 HydrophobicContact CE1-CG 4.26Å; F26-L30 HydrophobicContact CZ-CD1 4.05Å; F26-L30 HydrophobicContact CZ-CD2 4.45Å; F26-L30 HydrophobicContact CZ-CG 4.34Å; F26-L30 PolarHBondContact O-N 3.5Å; F26-L30 VanDerWaalsContact O-N 3.14Å
27	I	91.4	Very high	86.9	Confident	24 Å²	24	53.7 Å²	53.7	12%	0.123	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-40.2	176.6	-67.2	166.3	0	0	0	110.2	P23 L29 L30 E31 L212 N216 F219	P23-I27 WeakPolarHBondContact O-CB 3.23Å; P23-I27 WeakPolarHBondContact O-CD1 3.35Å; P23-I27 WeakPolarHBondContact O-CG1 3.38Å; P23-I27 PolarHBondContact O-N 2.99Å; I27-L29 VanDerWaalsContact C-N 3.27Å; I27-L29 PolarHBondContact O-N 3.24Å; I27-L30 WeakPolarHBondContact O-CB 3.43Å; I27-L30 PolarHBondContact O-N 3.42Å; I27-E31 HydrophobicContact CG2-CG 4.3Å; I27-E31 WeakPolarHBondContact O-CG 3.35Å; I27-E31 PolarHBondContact O-N 2.89Å; I27-L212 HydrophobicContact CG2-CB 4.4Å; I27-L212 HydrophobicContact CG2-CD2 4.3Å; I27-N216 HydrophobicContact CG2-CB 3.77Å; I27-F219 HydrophobicContact CD1-CD2 3.51Å; I27-F219 HydrophobicContact CD1-CE2 3.47Å; I27-F219 VanDerWaalsContact CD1-CE2 3.47Å; I27-F219 HydrophobicContact CD1-CG 4.46Å; I27-F219 HydrophobicContact CD1-CZ 4.39Å
28	R	92.1	Very high	87.9	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.8	-36.1	176.5	-165.2	67.4	71.9	-166.9	14.3	112.8	L24 A25 F26 E31 W32 S120 L121 Y124 D141 T145 N216	L24-R28 PolarHBondContact O-N 3.49Å; A25-R28 PolarHBondContact O-N 2.88Å; F26-R28 VanDerWaalsContact C-N 3.29Å; F26-R28 PolarHBondContact O-N 2.98Å; R28-E31 VanDerWaalsContact CD-OE2 3.26Å; R28-E31 WeakPolarHBondContact CD-OE2 3.46Å; R28-E31 IonicContact CZ-OE2 3.68Å; R28-E31 IonicContact NE-OE2 2.7Å; R28-E31 IonicContact NH1-OE1 2.93Å; R28-E31 IonicContact NH1-OE2 3.1Å; R28-E31 PolarHBondContact NH1-OE2 3.25Å; R28-W32 WeakPolarHBondContact O-CB 3.28Å; R28-W32 PolarHBondContact O-N 3.34Å; R28-S120 VanDerWaalsContact CD-OG 3.3Å; R28-S120 WeakPolarHBondContact CD-OG 3.05Å; R28-S120 WeakPolarHBondContact CG-OG 2.96Å; R28-L121 HydrophobicContact CB-CD2 4.22Å; R28-L121 HydrophobicContact CG-CD2 4.18Å; R28-L121 HydrophobicContact CG-CG 4.03Å; R28-Y124 HydrophobicContact CB-CE2 4.3Å; R28-Y124 HydrophobicContact CG-CE2 4.26Å; R28-Y124 PolarHBondContact NH2-OH 2.92Å; R28-D141 IonicContact CZ-OD1 3.83Å; R28-D141 IonicContact NH2-OD1 2.92Å; R28-D141 PolarHBondContact NH2-OD1 3.24Å; R28-D141 IonicContact NH2-OD2 2.75Å; R28-T145 PolarHBondContact NH1-OG1 3.47Å; R28-T145 PolarHBondContact NH2-OG1 3.08Å; R28-N216 PolarHBondContact NH1-ND2 2.78Å
29	L	92.5	Very high	88.9	Confident	62 Å²	62	48.5 Å²	48.5	33%	0.325	23%	0.232	S	C	.	.	H	α-helix	trans	-67.7	-40.1	173.6	-178.1	64.8	0	0	0	112	A25 F26 I27 W32 V33 L121	A25-L29 PolarHBondContact O-N 3.03Å; F26-L29 WeakPolarHBondContact O-CB 3.49Å; F26-L29 PolarHBondContact O-N 3.26Å; I27-L29 VanDerWaalsContact C-N 3.27Å; I27-L29 PolarHBondContact O-N 3.24Å; L29-W32 HydrophobicContact CD1-CE3 3.99Å; L29-W32 WeakPolarHBondContact O-CB 3.02Å; L29-W32 PolarHBondContact O-N 3.33Å; L29-V33 WeakPolarHBondContact O-CG2 3.38Å; L29-V33 PolarHBondContact O-N 2.88Å; L29-V33 VanDerWaalsContact O-N 3.08Å; L29-L121 HydrophobicContact CD1-CD1 4.33Å
30	L	94.3	Very high	90	Very high	52 Å²	52	50.5 Å²	50.5	27%	0.272	25%	0.249	S	C	.	.	H	α-helix	trans	-65.1	-43.4	175.4	-66.7	179.2	0	0	0	111.9	F26 I27 W32 V33 F34 L212	F26-L30 HydrophobicContact CD1-CD1 4.2Å; F26-L30 HydrophobicContact CE1-CD1 3.63Å; F26-L30 HydrophobicContact CE1-CG 4.26Å; F26-L30 HydrophobicContact CZ-CD1 4.05Å; F26-L30 HydrophobicContact CZ-CD2 4.45Å; F26-L30 HydrophobicContact CZ-CG 4.34Å; F26-L30 PolarHBondContact O-N 3.5Å; F26-L30 VanDerWaalsContact O-N 3.14Å; I27-L30 WeakPolarHBondContact O-CB 3.43Å; I27-L30 PolarHBondContact O-N 3.42Å; L30-W32 VanDerWaalsContact C-N 3.27Å; L30-W32 PolarHBondContact O-N 3.31Å; L30-V33 PolarHBondContact O-N 2.86Å; L30-F34 WeakPolarHBondContact O-CB 3.05Å; L30-F34 WeakPolarHBondContact O-CG 3.04Å; L30-F34 PolarHBondContact O-N 3.49Å; L30-L212 HydrophobicContact CB-CD1 4Å; L30-L212 HydrophobicContact CB-CD2 4.42Å; L30-L212 HydrophobicContact CD1-CD2 4.38Å
31	E	95.3	Very high	91	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.2	-43.5	173.3	-69.8	170	178.7	0	0	111.1	I27 R28 F34 A35 N209 L212 W213 N216	I27-E31 HydrophobicContact CG2-CG 4.3Å; I27-E31 WeakPolarHBondContact O-CG 3.35Å; I27-E31 PolarHBondContact O-N 2.89Å; R28-E31 VanDerWaalsContact CD-OE2 3.26Å; R28-E31 WeakPolarHBondContact CD-OE2 3.46Å; R28-E31 IonicContact CZ-OE2 3.68Å; R28-E31 IonicContact NE-OE2 2.7Å; R28-E31 IonicContact NH1-OE1 2.93Å; R28-E31 IonicContact NH1-OE2 3.1Å; R28-E31 PolarHBondContact NH1-OE2 3.25Å; E31-F34 PolarHBondContact O-N 3.44Å; E31-A35 WeakPolarHBondContact O-CB 3.27Å; E31-A35 PolarHBondContact O-N 2.62Å; E31-N209 PolarHBondContact O-OD1 2.94Å; E31-L212 HydrophobicContact CG-CB 3.72Å; E31-L212 HydrophobicContact CG-CD1 4.37Å; E31-W213 HydrophobicContact CB-CZ2 4.4Å; E31-W213 HydrophobicContact CG-CG 4.29Å; E31-W213 WeakPolarHBondContact OE1-CA 3.31Å; E31-N216 WeakPolarHBondContact OE1-CB 3.43Å; E31-N216 PolarHBondContact OE1-ND2 3.46Å; E31-N216 PolarHBondContact OE2-ND2 3.25Å
32	W	95.6	Very high	91.9	Very high	80 Å²	80	40.2 Å²	40.2	30%	0.303	21%	0.205	S	C	.	.	H	α-helix	trans	-59.5	-49.5	177	-176.8	74.7	0	0	0	112.2	R28 L29 L30 I36 F114 C117 T118 L121	R28-W32 WeakPolarHBondContact O-CB 3.28Å; R28-W32 PolarHBondContact O-N 3.34Å; L29-W32 HydrophobicContact CD1-CE3 3.99Å; L29-W32 WeakPolarHBondContact O-CB 3.02Å; L29-W32 PolarHBondContact O-N 3.33Å; L30-W32 VanDerWaalsContact C-N 3.27Å; L30-W32 PolarHBondContact O-N 3.31Å; W32-I36 HydrophobicContact CD2-CD1 4.18Å; W32-I36 HydrophobicContact CE3-CD1 4.34Å; W32-I36 HydrophobicContact CH2-CD1 4.17Å; W32-I36 HydrophobicContact CZ2-CD1 4.01Å; W32-I36 HydrophobicContact CZ3-CD1 4.34Å; W32-I36 WeakPolarHBondContact O-CG1 3.14Å; W32-I36 PolarHBondContact O-N 2.93Å; W32-F114 AromaticContact CD1-CD2 3.6Å; W32-F114 AromaticContact CD1-CE2 3.87Å; W32-F114 AromaticContact CE2-CE2 3.6Å; W32-F114 AromaticContact CZ2-CE2 3.9Å; W32-F114 HydrophobicContact CZ2-CE2 3.9Å; W32-F114 AromaticContact NE1-CD2 3.29Å; W32-F114 VanDerWaalsContact NE1-CD2 3.29Å; W32-F114 AromaticContact NE1-CE2 3.05Å; W32-F114 AromaticContact NE1-CZ 3.98Å; W32-C117 HydrophobicContact CB-CB 3.8Å; W32-C117 HydrophobicContact CG-CB 4.23Å; W32-T118 PolarHBondContact NE1-OG1 2.72Å; W32-T118 VanDerWaalsContact NE1-OG1 3.12Å; W32-L121 HydrophobicContact CB-CD1 4.33Å; W32-L121 HydrophobicContact CG-CD1 4.37Å
33	V	96.1	Very high	92.4	Very high	46 Å²	46	38.4 Å²	38.4	28%	0.279	21%	0.205	S	C	.	.	H	α-helix	trans	-65.3	-45.1	179.9	174.8	0	0	0	0	111.3	L29 L30 I36 F37	L29-V33 WeakPolarHBondContact O-CG2 3.38Å; L29-V33 PolarHBondContact O-N 2.88Å; L29-V33 VanDerWaalsContact O-N 3.08Å; L30-V33 PolarHBondContact O-N 2.86Å; V33-I36 WeakPolarHBondContact O-CB 3.47Å; V33-I36 PolarHBondContact O-N 3.09Å; V33-F37 HydrophobicContact CG1-CD2 3.83Å; V33-F37 HydrophobicContact CG1-CE2 3.47Å; V33-F37 VanDerWaalsContact CG1-CE2 3.47Å; V33-F37 VanDerWaalsContact O-CD2 3.29Å; V33-F37 WeakPolarHBondContact O-CD2 3.25Å; V33-F37 PolarHBondContact O-N 3.07Å
34	F	95.6	Very high	92.9	Very high	50 Å²	50	37.9 Å²	37.9	22%	0.219	21%	0.211	C	C	.	.	H	α-helix	trans	-72.5	-31.3	-176.7	-70.6	3.8	0	0	0	112	L30 E31 I36 F37 A38 F205 L208 N209 L212	L30-F34 WeakPolarHBondContact O-CB 3.05Å; L30-F34 WeakPolarHBondContact O-CG 3.04Å; L30-F34 PolarHBondContact O-N 3.49Å; E31-F34 PolarHBondContact O-N 3.44Å; F34-I36 VanDerWaalsContact C-N 3.32Å; F34-F37 HydrophobicContact CD1-CD2 4.49Å; F34-F37 PolarHBondContact O-N 2.9Å; F34-A38 WeakPolarHBondContact O-CB 3.32Å; F34-A38 PolarHBondContact O-N 3.48Å; F34-F205 HydrophobicContact CB-CD1 4.23Å; F34-F205 HydrophobicContact CD1-CD1 4.24Å; F34-F205 HydrophobicContact CD1-CE1 4.11Å; F34-F205 HydrophobicContact CE1-CE1 4.38Å; F34-F205 HydrophobicContact CG-CD1 4.08Å; F34-F205 HydrophobicContact CG-CE1 4.4Å; F34-L208 HydrophobicContact CD2-CB 4Å; F34-L208 HydrophobicContact CD2-CD1 4.47Å; F34-L208 HydrophobicContact CE2-CB 4.29Å; F34-L208 HydrophobicContact CE2-CD1 4.23Å; F34-N209 WeakPolarHBondContact CB-ND2 3.46Å; F34-N209 PolarHBondContact O-ND2 3.44Å; F34-L212 HydrophobicContact CD2-CD1 3.39Å; F34-L212 HydrophobicContact CE2-CD1 3.78Å; F34-L212 HydrophobicContact CG-CD1 4.25Å
35	A	96.1	Very high	93.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.7	-43.5	170.9	0	0	0	0	0	111.2	E31 A38 F39 A113 F114 W152 N209	E31-A35 WeakPolarHBondContact O-CB 3.27Å; E31-A35 PolarHBondContact O-N 2.62Å; A35-A38 WeakPolarHBondContact O-CB 3.23Å; A35-A38 PolarHBondContact O-N 3.26Å; A35-F39 WeakPolarHBondContact O-CD1 3.39Å; A35-F39 PolarHBondContact O-N 3.15Å; A35-A113 HydrophobicContact CB-CB 4.32Å; A35-F114 HydrophobicContact CB-CB 4.42Å; A35-W152 HydrophobicContact CB-CZ2 4.19Å; A35-N209 PolarHBondContact N-ND2 3.19Å
36	I	96.1	Very high	93.8	Very high	53 Å²	53	41.7 Å²	41.7	27%	0.272	24%	0.238	S	C	.	.	H	α-helix	trans	-58.3	-51	175.3	-63.7	165.2	0	0	0	110.7	W32 V33 F34 A38 F39 A40 F114	W32-I36 HydrophobicContact CD2-CD1 4.18Å; W32-I36 HydrophobicContact CE3-CD1 4.34Å; W32-I36 HydrophobicContact CH2-CD1 4.17Å; W32-I36 HydrophobicContact CZ2-CD1 4.01Å; W32-I36 HydrophobicContact CZ3-CD1 4.34Å; W32-I36 WeakPolarHBondContact O-CG1 3.14Å; W32-I36 PolarHBondContact O-N 2.93Å; V33-I36 WeakPolarHBondContact O-CB 3.47Å; V33-I36 PolarHBondContact O-N 3.09Å; F34-I36 VanDerWaalsContact C-N 3.32Å; I36-A38 VanDerWaalsContact C-N 3.3Å; I36-A38 PolarHBondContact O-N 3.08Å; I36-F39 VanDerWaalsContact CA-CE1 3.46Å; I36-F39 HydrophobicContact CB-CE1 4.3Å; I36-F39 HydrophobicContact CB-CZ 4.41Å; I36-F39 HydrophobicContact CG1-CE1 4.13Å; I36-F39 HydrophobicContact CG1-CZ 4.27Å; I36-F39 HydrophobicContact CG2-CZ 4.42Å; I36-A40 WeakPolarHBondContact O-CB 3.29Å; I36-A40 PolarHBondContact O-N 3.41Å; I36-F114 HydrophobicContact CD1-CD2 4Å; I36-F114 HydrophobicContact CD1-CE2 3.88Å; I36-F114 HydrophobicContact CG1-CD2 3.65Å; I36-F114 HydrophobicContact CG1-CE2 3.95Å
37	F	95.2	Very high	93.8	Very high	97 Å²	97	37 Å²	37	43%	0.425	22%	0.22	S	C	.	.	H	α-helix	trans	-61	-41	178.7	-73.8	-60	0	0	0	112.1	V33 F34 T41 F205	V33-F37 HydrophobicContact CG1-CD2 3.83Å; V33-F37 HydrophobicContact CG1-CE2 3.47Å; V33-F37 VanDerWaalsContact CG1-CE2 3.47Å; V33-F37 VanDerWaalsContact O-CD2 3.29Å; V33-F37 WeakPolarHBondContact O-CD2 3.25Å; V33-F37 PolarHBondContact O-N 3.07Å; F34-F37 HydrophobicContact CD1-CD2 4.49Å; F34-F37 PolarHBondContact O-N 2.9Å; F37-T41 VanDerWaalsContact O-CB 3.26Å; F37-T41 WeakPolarHBondContact O-CB 3.46Å; F37-T41 WeakPolarHBondContact O-CG2 3.33Å; F37-T41 PolarHBondContact O-N 3.47Å; F37-T41 VanDerWaalsContact O-N 3.13Å; F37-T41 PolarHBondContact O-OG1 3.42Å; F37-F205 HydrophobicContact CB-CD1 4.02Å; F37-F205 HydrophobicContact CB-CD2 3.65Å; F37-F205 HydrophobicContact CB-CE1 4.03Å; F37-F205 HydrophobicContact CB-CE2 3.66Å; F37-F205 HydrophobicContact CB-CG 3.85Å; F37-F205 HydrophobicContact CB-CZ 3.85Å; F37-F205 HydrophobicContact CD2-CE1 4.13Å; F37-F205 HydrophobicContact CD2-CZ 4.14Å; F37-F205 HydrophobicContact CG-CE1 4.29Å; F37-F205 HydrophobicContact CG-CE2 4.15Å; F37-F205 AromaticContact CG-CZ 3.98Å; F37-F205 HydrophobicContact CG-CZ 3.98Å
38	A	94.8	Very high	93.7	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58.5	-58.9	177.2	0	0	0	0	0	112.5	F34 A35 I36 T41 T42 Y106 W152 F205	F34-A38 WeakPolarHBondContact O-CB 3.32Å; F34-A38 PolarHBondContact O-N 3.48Å; A35-A38 WeakPolarHBondContact O-CB 3.23Å; A35-A38 PolarHBondContact O-N 3.26Å; I36-A38 VanDerWaalsContact C-N 3.3Å; I36-A38 PolarHBondContact O-N 3.08Å; A38-T41 PolarHBondContact O-OG1 2.8Å; A38-T42 PolarHBondContact O-N 2.61Å; A38-T42 PolarHBondContact O-OG1 3.2Å; A38-Y106 HydrophobicContact CB-CE1 4.24Å; A38-Y106 VanDerWaalsContact CB-OH 3.24Å; A38-Y106 WeakPolarHBondContact CB-OH 3.49Å; A38-W152 HydrophobicContact CB-CH2 3.62Å; A38-W152 HydrophobicContact CB-CZ3 4Å; A38-F205 HydrophobicContact CB-CB 3.96Å
39	F	94.5	Very high	93.5	Very high	45 Å²	45	38.2 Å²	38.2	20%	0.197	23%	0.23	C	C	.	.	H	α-helix	trans	-75	-33.7	-174.6	75.4	-110.4	0	0	0	112.6	A35 I36 G43 V107 V111 F114	A35-F39 WeakPolarHBondContact O-CD1 3.39Å; A35-F39 PolarHBondContact O-N 3.15Å; I36-F39 VanDerWaalsContact CA-CE1 3.46Å; I36-F39 HydrophobicContact CB-CE1 4.3Å; I36-F39 HydrophobicContact CB-CZ 4.41Å; I36-F39 HydrophobicContact CG1-CE1 4.13Å; I36-F39 HydrophobicContact CG1-CZ 4.27Å; I36-F39 HydrophobicContact CG2-CZ 4.42Å; F39-G43 WeakPolarHBondContact O-CA 3.3Å; F39-G43 PolarHBondContact O-N 2.84Å; F39-V107 HydrophobicContact CB-CG1 4.28Å; F39-V111 HydrophobicContact CD1-CG2 4.25Å; F39-V111 HydrophobicContact CD2-CG2 4.26Å; F39-V111 HydrophobicContact CG-CG2 4.1Å; F39-F114 HydrophobicContact CE1-CB 3.96Å; F39-F114 HydrophobicContact CE1-CG 4.21Å
40	A	94.7	Very high	93.4	Very high	47 Å²	47	35.4 Å²	35.4	39%	0.388	22%	0.215	S	C	.	.	H	α-helix	trans	-72.2	-35.6	-177.9	0	0	0	0	0	112	I36 G44	I36-A40 WeakPolarHBondContact O-CB 3.29Å; I36-A40 PolarHBondContact O-N 3.41Å; A40-G44 WeakPolarHBondContact O-CA 3.24Å; A40-G44 PolarHBondContact O-N 3.38Å
41	T	94	Very high	93.1	Very high	26 Å²	26	33 Å²	33	16%	0.16	20%	0.203	C	C	.	.	H	α-helix	trans	-71.7	-33.4	178.1	55.1	0	0	0	0	112.8	F37 A38 S202	F37-T41 VanDerWaalsContact O-CB 3.26Å; F37-T41 WeakPolarHBondContact O-CB 3.46Å; F37-T41 WeakPolarHBondContact O-CG2 3.33Å; F37-T41 PolarHBondContact O-N 3.47Å; F37-T41 VanDerWaalsContact O-N 3.13Å; F37-T41 PolarHBondContact O-OG1 3.42Å; A38-T41 PolarHBondContact O-OG1 2.8Å; T41-S202 WeakPolarHBondContact OG1-CA 3.39Å; T41-S202 WeakPolarHBondContact OG1-CB 3.46Å
42	T	93.5	Very high	92.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-77.7	-51.6	172.7	-58.2	0	0	0	0	111.9	A38 G44 Y45 Y69 F71 A103 Y106 V107 W159 S202	A38-T42 PolarHBondContact O-N 2.61Å; A38-T42 PolarHBondContact O-OG1 3.2Å; T42-G44 PolarHBondContact O-N 3.47Å; T42-Y45 WeakPolarHBondContact O-CB 3.22Å; T42-Y45 PolarHBondContact O-N 2.7Å; T42-Y69 HydrophobicContact CG2-CD2 4.13Å; T42-Y69 HydrophobicContact CG2-CE2 4.35Å; T42-F71 HydrophobicContact CG2-CE2 4.13Å; T42-A103 HydrophobicContact CG2-CB 4.41Å; T42-Y106 HydrophobicContact CG2-CD1 4.4Å; T42-V107 HydrophobicContact CG2-CG2 3.88Å; T42-W159 HydrophobicContact CG2-CD2 4.46Å; T42-W159 HydrophobicContact CG2-CH2 4.37Å; T42-W159 HydrophobicContact CG2-CZ2 3.74Å; T42-W159 PolarHBondContact OG1-NE1 3.38Å; T42-S202 WeakPolarHBondContact OG1-CB 3.45Å; T42-S202 PolarHBondContact OG1-OG 3.27Å; T42-S202 VanDerWaalsContact OG1-OG 3.1Å
43	G	92.3	Very high	92.4	Very high	31 Å²	31	31 Å²	31	32%	0.32	20%	0.198	S	C	.	.	H	α-helix	trans	-70.5	-28.9	-174.4	0	0	0	0	0	114.2	F39 Y45	F39-G43 WeakPolarHBondContact O-CA 3.3Å; F39-G43 PolarHBondContact O-N 2.84Å; G43-Y45 VanDerWaalsContact C-N 3.35Å
44	G	91.4	Very high	91.8	Very high	57 Å²	57	34 Å²	34	59%	0.588	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	11.9	177	0	0	0	0	0	114.4	A40 T42	A40-G44 WeakPolarHBondContact O-CA 3.24Å; A40-G44 PolarHBondContact O-N 3.38Å; T42-G44 PolarHBondContact O-N 3.47Å
45	Y	93.5	Very high	91.2	Very high	11 Å²	11	32.8 Å²	32.8	4%	0.043	21%	0.205	C	C	.	.			trans	-83.3	131.8	-176.4	-171.2	-94.2	0	0	0	112.9	T42 G43 F67 N68 Y69 F71 S195 K198 L199	T42-Y45 WeakPolarHBondContact O-CB 3.22Å; T42-Y45 PolarHBondContact O-N 2.7Å; G43-Y45 VanDerWaalsContact C-N 3.35Å; Y45-F67 HydrophobicContact CE1-CD2 4.33Å; Y45-F67 AromaticContact CE1-CE2 3.7Å; Y45-F67 HydrophobicContact CE1-CE2 3.7Å; Y45-F67 HydrophobicContact CE1-CZ 4.32Å; Y45-N68 WeakPolarHBondContact O-CA 3.33Å; Y45-Y69 PolarHBondContact O-N 3.36Å; Y45-Y69 VanDerWaalsContact O-N 3.08Å; Y45-F71 AromaticContact CD1-CE1 3.78Å; Y45-F71 HydrophobicContact CD1-CE1 3.78Å; Y45-F71 HydrophobicContact CD1-CZ 4.03Å; Y45-F71 HydrophobicContact CE1-CE1 4.32Å; Y45-F71 HydrophobicContact CG-CZ 4.45Å; Y45-S195 WeakPolarHBondContact CE2-O 3.36Å; Y45-S195 PolarHBondContact OH-O 3.45Å; Y45-K198 HydrophobicContact CD2-CB 3.93Å; Y45-K198 HydrophobicContact CD2-CD 4.31Å; Y45-K198 HydrophobicContact CE2-CB 4.27Å; Y45-L199 HydrophobicContact CD1-CD1 3.88Å; Y45-L199 HydrophobicContact CD1-CD2 4Å; Y45-L199 HydrophobicContact CD1-CG 4.14Å; Y45-L199 HydrophobicContact CD2-CD1 4.23Å; Y45-L199 HydrophobicContact CD2-CD2 3.56Å; Y45-L199 HydrophobicContact CD2-CG 3.64Å; Y45-L199 HydrophobicContact CE1-CD1 3.75Å; Y45-L199 HydrophobicContact CE1-CG 4.24Å; Y45-L199 HydrophobicContact CE2-CD1 4.11Å; Y45-L199 HydrophobicContact CE2-CD2 4.2Å; Y45-L199 HydrophobicContact CE2-CG 3.74Å; Y45-L199 HydrophobicContact CG-CD1 4.1Å; Y45-L199 HydrophobicContact CG-CD2 3.43Å; Y45-L199 VanDerWaalsContact CG-CD2 3.43Å; Y45-L199 HydrophobicContact CG-CG 3.83Å
46	S	90.9	Very high	90.3	Very high	87 Å²	87	40.5 Å²	40.5	61%	0.608	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.6	129.3	165.4	-171.8	0	0	0	0	108.3
47	G	89.6	Confident	89	Confident	9 Å²	9	42.5 Å²	42.5	9%	0.093	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	161.7	179.9	0	0	0	0	0	111.5	F67	G47-F67 CarbonylContact C-O 3.59Å; G47-F67 PolarHBondContact N-O 3.22Å; G47-F67 PolarHBondContact O-N 2.69Å
48	S	89.3	Confident	88	Confident	46 Å²	46	39.7 Å²	39.7	32%	0.322	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	138.6	172.3	58.8	0	0	0	0	109.1	A65	S48-A65 CarbonylContact C-O 3.34Å; S48-A65 VanDerWaalsContact CA-O 3.3Å; S48-A65 WeakPolarHBondContact CA-O 3.21Å
49	I	89.3	Confident	87.2	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.015	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.8	164.7	-179.8	158.5	0	0	0	109.1	A65 T170 I175	I49-A65 HydrophobicContact CG2-CB 3.83Å; I49-A65 PolarHBondContact N-O 2.94Å; I49-A65 PolarHBondContact O-N 2.96Å; I49-T170 WeakPolarHBondContact CD1-O 3.47Å; I49-I175 HydrophobicContact CD1-CD1 3.61Å; I49-I175 HydrophobicContact CG1-CD1 4.12Å; I49-I175 HydrophobicContact CG2-CD1 3.82Å
50	S	89.1	Confident	86.7	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.021	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	141.1	174.9	-56.9	0	0	0	0	110.2	K62 V63 D64 G191 A192	S50-K62 VanDerWaalsContact OG-CE 3.29Å; S50-K62 WeakPolarHBondContact OG-CE 3.46Å; S50-K62 PolarHBondContact OG-NZ 2.88Å; S50-V63 VanDerWaalsContact CA-O 3.31Å; S50-V63 WeakPolarHBondContact CA-O 3.3Å; S50-D64 WeakPolarHBondContact CB-OD1 3.31Å; S50-D64 PolarHBondContact OG-OD1 3.42Å; S50-G191 CarbonylContact O-C 3.12Å; S50-G191 WeakPolarHBondContact O-CA 3.16Å; S50-G191 PolarHBondContact O-N 3.44Å; S50-A192 PolarHBondContact N-O 3.37Å
51	F	88.6	Confident	86.2	Confident	1 Å²	1	53.2 Å²	53.2	0%	0.004	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	154.7	168.4	57	-82.6	0	0	0	109.7	I53 V63 Y78 V80 F172 I175 L179	F51-I53 HydrophobicContact CD2-CD1 4.25Å; F51-I53 HydrophobicContact CD2-CG1 3.95Å; F51-I53 HydrophobicContact CE2-CD1 3.78Å; F51-I53 HydrophobicContact CE2-CG1 4.01Å; F51-V63 HydrophobicContact CD1-CB 4.47Å; F51-V63 HydrophobicContact CD2-CB 4.25Å; F51-V63 HydrophobicContact CE1-CB 3.99Å; F51-V63 HydrophobicContact CE1-CG1 3.8Å; F51-V63 HydrophobicContact CE2-CB 3.77Å; F51-V63 HydrophobicContact CE2-CG1 4.08Å; F51-V63 HydrophobicContact CE2-CG2 4.17Å; F51-V63 HydrophobicContact CZ-CB 3.61Å; F51-V63 HydrophobicContact CZ-CG1 3.43Å; F51-V63 VanDerWaalsContact CZ-CG1 3.43Å; F51-V63 HydrophobicContact CZ-CG2 4.36Å; F51-V63 PolarHBondContact N-O 2.9Å; F51-V63 PolarHBondContact O-N 3.48Å; F51-Y78 HydrophobicContact CE1-CD2 4.2Å; F51-Y78 HydrophobicContact CE1-CE2 4.07Å; F51-Y78 AromaticContact CZ-CD2 3.84Å; F51-Y78 HydrophobicContact CZ-CD2 3.84Å; F51-Y78 AromaticContact CZ-CE2 3.61Å; F51-Y78 HydrophobicContact CZ-CE2 3.61Å; F51-V80 HydrophobicContact CE2-CG2 4.47Å; F51-V80 HydrophobicContact CZ-CG2 4.24Å; F51-F172 HydrophobicContact CB-CD2 4.15Å; F51-F172 HydrophobicContact CB-CE2 3.97Å; F51-I175 HydrophobicContact CD1-CD1 4.45Å; F51-I175 HydrophobicContact CD1-CG2 4.11Å; F51-I175 HydrophobicContact CE1-CG2 4.02Å; F51-I175 HydrophobicContact CE2-CG2 4.49Å; F51-I175 HydrophobicContact CG-CG2 4.42Å; F51-I175 HydrophobicContact CZ-CG2 4.22Å; F51-L179 HydrophobicContact CD2-CD1 4.2Å; F51-L179 HydrophobicContact CE2-CD1 3.42Å; F51-L179 VanDerWaalsContact CE2-CD1 3.42Å; F51-L179 HydrophobicContact CZ-CD1 3.79Å
52	N	87.9	Confident	85.8	Confident	38 Å²	38	57.6 Å²	57.6	20%	0.203	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	138.4	-179.2	-53.8	-77	0	0	0	109.7	T60 E61 C188 T189	N52-T60 HydrophobicContact CB-CG2 3.74Å; N52-E61 CarbonylContact C-O 3.51Å; N52-E61 WeakPolarHBondContact CA-O 3.31Å; N52-C188 CarbonylContact O-C 3.4Å; N52-C188 WeakPolarHBondContact O-CA 3.43Å; N52-T189 PolarHBondContact N-O 3.22Å; N52-T189 PolarHBondContact O-N 2.69Å
53	I	87.2	Confident	85.4	Confident	1 Å²	1	58 Å²	58	1%	0.005	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.5	175.8	-51	179.6	0	0	0	108	F51 T60 E61 V63 V80 P81 V182	F51-I53 HydrophobicContact CD2-CD1 4.25Å; F51-I53 HydrophobicContact CD2-CG1 3.95Å; F51-I53 HydrophobicContact CE2-CD1 3.78Å; F51-I53 HydrophobicContact CE2-CG1 4.01Å; I53-T60 WeakPolarHBondContact O-CA 3.19Å; I53-E61 PolarHBondContact N-O 2.94Å; I53-E61 PolarHBondContact O-N 2.92Å; I53-V63 HydrophobicContact CD1-CG2 4.18Å; I53-V80 HydrophobicContact CD1-CG1 3.58Å; I53-P81 HydrophobicContact CB-CG 4.5Å; I53-P81 HydrophobicContact CD1-CG 4.27Å; I53-V182 HydrophobicContact CG2-CG1 4.36Å
54	K	85.4	Confident	85.2	Confident	108 Å²	108	60 Å²	60	47%	0.47	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	102.6	173.2	-177	-179.3	-179.9	-179.1	0	109.1	N186 T187	K54-N186 WeakPolarHBondContact O-CB 3.44Å; K54-T187 PolarHBondContact N-O 2.91Å; K54-T187 PolarHBondContact O-N 3.34Å; K54-T187 VanDerWaalsContact O-N 3.09Å
55	C	82.3	Confident	85	Confident	26 Å²	26	57.4 Å²	57.4	18%	0.176	32%	0.324	C	S	.	.			trans	-68.2	150.2	172.5	-54.5	0	0	0	0	110.8	G57 G58 C83 N186	C55-G57 PolarHBondContact O-N 2.98Å; C55-G57 VanDerWaalsContact O-N 3.12Å; C55-G58 PolarHBondContact O-N 2.86Å; C55-C83 HydrophobicContact CB-CB 3.73Å; C55-C83 WeakPolarHBondContact CB-SG 3.12Å; C55-C83 WeakPolarHBondContact SG-CB 3.26Å; C55-C83 CovalentContact SG-SG 2.04Å; C55-C83 PolarHBondContact SG-SG 2.94Å; C55-N186 VanDerWaalsContact CA-OD1 3.28Å; C55-N186 WeakPolarHBondContact CA-OD1 3.03Å
56	K	76.5	Confident	84.7	Confident	162 Å²	162	61.8 Å²	61.8	70%	0.704	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	117.6	174.6	-79.1	175.8	176.2	159.5	0	110.9	G58 E185 N186	K56-G58 VanDerWaalsContact C-N 3.25Å; K56-G58 PolarHBondContact O-N 2.91Å; K56-E185 WeakPolarHBondContact CE-O 2.9Å; K56-N186 PolarHBondContact N-OD1 2.82Å; K56-N186 VanDerWaalsContact N-OD1 3.07Å
57	G	70.1	Confident	84.6	Confident	94 Å²	94	57.8 Å²	57.8	97%	0.969	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	1	-179.1	0	0	0	0	0	115.5	C55	C55-G57 PolarHBondContact O-N 2.98Å; C55-G57 VanDerWaalsContact O-N 3.12Å
58	G	73	Confident	84.8	Confident	38 Å²	38	60.1 Å²	60.1	39%	0.392	33%	0.33	S	S	.	.	S	Bend	trans	-99	174.6	-179.9	0	0	0	0	0	114.5	C55 K56	C55-G58 PolarHBondContact O-N 2.86Å; K56-G58 VanDerWaalsContact C-N 3.25Å; K56-G58 PolarHBondContact O-N 2.91Å
59	K	79.1	Confident	84.8	Confident	190 Å²	190	60.7 Å²	60.7	83%	0.826	33%	0.326	S	S	*	.			trans	-78.1	155.3	168.8	-69	-179.1	-179.4	176.5	0	110	E61	K59-E61 PolarHBondContact O-N 3.29Å
60	T	82.6	Confident	85	Confident	82 Å²	82	61.9 Å²	61.9	50%	0.503	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	120.9	172	-55.2	0	0	0	0	109.3	N52 I53	N52-T60 HydrophobicContact CB-CG2 3.74Å; I53-T60 WeakPolarHBondContact O-CA 3.19Å
61	E	84	Confident	85	Confident	104 Å²	104	61.8 Å²	61.8	49%	0.486	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.6	174.8	-67.1	-166.3	-177.6	0	0	110.7	N52 I53 K59 P81	N52-E61 CarbonylContact C-O 3.51Å; N52-E61 WeakPolarHBondContact CA-O 3.31Å; I53-E61 PolarHBondContact N-O 2.94Å; I53-E61 PolarHBondContact O-N 2.92Å; K59-E61 PolarHBondContact O-N 3.29Å; E61-P81 HydrophobicContact CB-CG 4.27Å; E61-P81 WeakPolarHBondContact OE2-CB 3.38Å; E61-P81 WeakPolarHBondContact OE2-CG 3.47Å
62	K	86.4	Confident	85	Confident	118 Å²	118	66.8 Å²	66.8	51%	0.513	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.4	176.8	-174.3	-173.8	-179.2	-120.9	0	109	S50 D64	S50-K62 VanDerWaalsContact OG-CE 3.29Å; S50-K62 WeakPolarHBondContact OG-CE 3.46Å; S50-K62 PolarHBondContact OG-NZ 2.88Å; K62-D64 WeakPolarHBondContact CE-OD1 3.36Å; K62-D64 VanDerWaalsContact NZ-CG 3.29Å; K62-D64 IonicContact NZ-OD1 3.56Å; K62-D64 PolarHBondContact NZ-OD1 3.39Å; K62-D64 IonicContact NZ-OD2 2.71Å; K62-D64 PolarHBondContact NZ-OD2 3.38Å
63	V	85.8	Confident	84.9	Confident	8 Å²	8	65 Å²	65	5%	0.048	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.1	175.8	-178.3	0	0	0	0	108.7	S50 F51 I53 Y78 K79 V80	S50-V63 VanDerWaalsContact CA-O 3.31Å; S50-V63 WeakPolarHBondContact CA-O 3.3Å; F51-V63 HydrophobicContact CD1-CB 4.47Å; F51-V63 HydrophobicContact CD2-CB 4.25Å; F51-V63 HydrophobicContact CE1-CB 3.99Å; F51-V63 HydrophobicContact CE1-CG1 3.8Å; F51-V63 HydrophobicContact CE2-CB 3.77Å; F51-V63 HydrophobicContact CE2-CG1 4.08Å; F51-V63 HydrophobicContact CE2-CG2 4.17Å; F51-V63 HydrophobicContact CZ-CB 3.61Å; F51-V63 HydrophobicContact CZ-CG1 3.43Å; F51-V63 VanDerWaalsContact CZ-CG1 3.43Å; F51-V63 HydrophobicContact CZ-CG2 4.36Å; F51-V63 PolarHBondContact N-O 2.9Å; F51-V63 PolarHBondContact O-N 3.48Å; I53-V63 HydrophobicContact CD1-CG2 4.18Å; V63-Y78 HydrophobicContact CG1-CD2 3.75Å; V63-Y78 HydrophobicContact CG1-CG 4.4Å; V63-K79 VanDerWaalsContact CG1-O 3.29Å; V63-K79 WeakPolarHBondContact CG1-O 3.11Å; V63-K79 WeakPolarHBondContact CG2-O 3.39Å; V63-V80 HydrophobicContact CG1-CG2 4.45Å
64	D	86.9	Confident	84.7	Confident	74 Å²	74	69.3 Å²	69.3	40%	0.396	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120.3	-180	-67.8	-26.5	0	0	0	109.3	S50 K62	S50-D64 WeakPolarHBondContact CB-OD1 3.31Å; S50-D64 PolarHBondContact OG-OD1 3.42Å; K62-D64 WeakPolarHBondContact CE-OD1 3.36Å; K62-D64 VanDerWaalsContact NZ-CG 3.29Å; K62-D64 IonicContact NZ-OD1 3.56Å; K62-D64 PolarHBondContact NZ-OD1 3.39Å; K62-D64 IonicContact NZ-OD2 2.71Å; K62-D64 PolarHBondContact NZ-OD2 3.38Å
65	A	86.8	Confident	84.4	Confident	2 Å²	2	68.8 Å²	68.8	2%	0.017	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	114.5	172.7	0	0	0	0	0	109.2	S48 I49 Y78 L95	S48-A65 CarbonylContact C-O 3.34Å; S48-A65 VanDerWaalsContact CA-O 3.3Å; S48-A65 WeakPolarHBondContact CA-O 3.21Å; I49-A65 HydrophobicContact CG2-CB 3.83Å; I49-A65 PolarHBondContact N-O 2.94Å; I49-A65 PolarHBondContact O-N 2.96Å; A65-Y78 HydrophobicContact CB-CD1 3.7Å; A65-Y78 HydrophobicContact CB-CE1 4.32Å; A65-Y78 HydrophobicContact CB-CG 3.91Å; A65-L95 HydrophobicContact CB-CD1 4.06Å; A65-L95 HydrophobicContact CB-CG 4.37Å
66	L	87.9	Confident	84.3	Confident	104 Å²	104	71.2 Å²	71.2	55%	0.545	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	141	-178	-72.9	152.1	0	0	0	110.3
67	F	89.8	Confident	84.5	Confident	2 Å²	2	66.9 Å²	66.9	1%	0.009	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	140.7	171.6	64	-81.3	0	0	0	110.4	Y45 G47 F71 L73 L95 V166 T170 P194 M196	Y45-F67 HydrophobicContact CE1-CD2 4.33Å; Y45-F67 AromaticContact CE1-CE2 3.7Å; Y45-F67 HydrophobicContact CE1-CE2 3.7Å; Y45-F67 HydrophobicContact CE1-CZ 4.32Å; G47-F67 CarbonylContact C-O 3.59Å; G47-F67 PolarHBondContact N-O 3.22Å; G47-F67 PolarHBondContact O-N 2.69Å; F67-F71 HydrophobicContact CD2-CD1 4.19Å; F67-F71 HydrophobicContact CD2-CE1 4.36Å; F67-L73 HydrophobicContact CB-CD2 3.56Å; F67-L73 HydrophobicContact CD2-CD2 4.35Å; F67-L73 HydrophobicContact CG-CD2 4.09Å; F67-L95 HydrophobicContact CD1-CD1 4.46Å; F67-V166 HydrophobicContact CD2-CG1 4.39Å; F67-V166 HydrophobicContact CE2-CG1 4.04Å; F67-T170 HydrophobicContact CD1-CG2 3.97Å; F67-T170 HydrophobicContact CD2-CG2 4.41Å; F67-T170 HydrophobicContact CE1-CG2 3.72Å; F67-T170 HydrophobicContact CE2-CG2 4.16Å; F67-T170 HydrophobicContact CG-CG2 4.31Å; F67-T170 HydrophobicContact CZ-CG2 3.82Å; F67-P194 HydrophobicContact CE1-CB 3.92Å; F67-P194 HydrophobicContact CE1-CG 4.1Å; F67-P194 HydrophobicContact CZ-CB 3.58Å; F67-P194 HydrophobicContact CZ-CG 3.84Å; F67-M196 HydrophobicContact CE2-CE 4.08Å; F67-M196 HydrophobicContact CZ-CE 3.71Å
68	N	91.8	Very high	85.1	Confident	58 Å²	58	62.7 Å²	62.7	31%	0.31	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	169.8	-174.6	60.4	-36.1	0	0	0	109.5	Y45 F71 H76	Y45-N68 WeakPolarHBondContact O-CA 3.33Å; N68-F71 VanDerWaalsContact O-CA 3.31Å; N68-F71 WeakPolarHBondContact O-CA 3.37Å; N68-F71 PolarHBondContact O-N 2.99Å; N68-H76 PolarHBondContact OD1-NE2 2.97Å
69	Y	91.1	Very high	85.4	Confident	58 Å²	58	67.8 Å²	67.8	23%	0.227	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	132.5	166.8	179.2	-92	0	0	0	110	T42 Y45 F71 A103 Q104 V107	T42-Y69 HydrophobicContact CG2-CD2 4.13Å; T42-Y69 HydrophobicContact CG2-CE2 4.35Å; Y45-Y69 PolarHBondContact O-N 3.36Å; Y45-Y69 VanDerWaalsContact O-N 3.08Å; Y69-F71 HydrophobicContact CD2-CD2 4.39Å; Y69-F71 HydrophobicContact CD2-CE2 4.01Å; Y69-A103 HydrophobicContact CD2-CB 4.17Å; Y69-A103 HydrophobicContact CE2-CB 3.93Å; Y69-Q104 WeakPolarHBondContact OH-CA 3.4Å; Y69-Q104 WeakPolarHBondContact OH-CG 3.37Å; Y69-V107 HydrophobicContact CD2-CG2 4.48Å; Y69-V107 HydrophobicContact CE2-CB 4.29Å; Y69-V107 HydrophobicContact CE2-CG2 3.65Å
70	P	91.8	Very high	85.5	Confident	29 Å²	29	58.8 Å²	58.8	19%	0.188	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	cis	-96.3	32	14.4	38.6	-35.9	0	0	0	114.9	R72 S100 Q104	P70-R72 HydrophobicContact CG-CG 4.21Å; P70-R72 PolarHBondContact O-N 3.07Å; P70-S100 WeakPolarHBondContact O-CA 3.33Å; P70-S100 WeakPolarHBondContact O-CB 3.13Å; P70-S100 PolarHBondContact O-N 2.88Å; P70-Q104 HydrophobicContact CB-CG 3.94Å
71	F	90.2	Very high	85.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.272	C	S	.	.			trans	60.8	42.5	176.2	-49.7	-81.6	0	0	0	114.2	T42 Y45 F67 N68 Y69 L73 H99 A103 W159 V166 L199	T42-F71 HydrophobicContact CG2-CE2 4.13Å; Y45-F71 AromaticContact CD1-CE1 3.78Å; Y45-F71 HydrophobicContact CD1-CE1 3.78Å; Y45-F71 HydrophobicContact CD1-CZ 4.03Å; Y45-F71 HydrophobicContact CE1-CE1 4.32Å; Y45-F71 HydrophobicContact CG-CZ 4.45Å; F67-F71 HydrophobicContact CD2-CD1 4.19Å; F67-F71 HydrophobicContact CD2-CE1 4.36Å; N68-F71 VanDerWaalsContact O-CA 3.31Å; N68-F71 WeakPolarHBondContact O-CA 3.37Å; N68-F71 PolarHBondContact O-N 2.99Å; Y69-F71 HydrophobicContact CD2-CD2 4.39Å; Y69-F71 HydrophobicContact CD2-CE2 4.01Å; F71-L73 PolarHBondContact O-N 3.43Å; F71-H99 HydrophobicContact CB-CB 4.23Å; F71-H99 PolarHBondContact O-N 2.89Å; F71-A103 HydrophobicContact CD2-CB 3.63Å; F71-A103 HydrophobicContact CE2-CB 4Å; F71-W159 AromaticContact CD2-CH2 3.61Å; F71-W159 HydrophobicContact CD2-CH2 3.61Å; F71-W159 AromaticContact CD2-CZ3 3.95Å; F71-W159 HydrophobicContact CD2-CZ3 3.95Å; F71-W159 HydrophobicContact CE1-CH2 4.35Å; F71-W159 AromaticContact CE2-CH2 3.27Å; F71-W159 HydrophobicContact CE2-CH2 3.27Å; F71-W159 AromaticContact CE2-CZ2 3.89Å; F71-W159 HydrophobicContact CE2-CZ2 3.89Å; F71-W159 HydrophobicContact CE2-CZ3 4.02Å; F71-W159 HydrophobicContact CG-CH2 4.28Å; F71-W159 AromaticContact CZ-CH2 3.7Å; F71-W159 HydrophobicContact CZ-CH2 3.7Å; F71-W159 HydrophobicContact CZ-CZ2 4.12Å; F71-V166 HydrophobicContact CB-CG2 4.18Å; F71-V166 HydrophobicContact CD1-CG1 4.21Å; F71-V166 HydrophobicContact CD1-CG2 4.14Å; F71-V166 HydrophobicContact CG-CG2 4.26Å; F71-L199 HydrophobicContact CE1-CD1 3.82Å; F71-L199 HydrophobicContact CE1-CD2 4.49Å; F71-L199 HydrophobicContact CZ-CD1 3.93Å; F71-L199 HydrophobicContact CZ-CD2 3.81Å
72	R	88.5	Confident	84.7	Confident	106 Å²	106	52.6 Å²	52.6	40%	0.4	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-86.2	87.2	166.8	-66.1	-179.9	-177.1	-179.7	-1.2	109	P70 M74 D75	P70-R72 HydrophobicContact CG-CG 4.21Å; P70-R72 PolarHBondContact O-N 3.07Å; R72-M74 PolarHBondContact O-N 2.9Å; R72-D75 HydrophobicContact CB-CB 4.17Å; R72-D75 VanDerWaalsContact CB-OD2 3.25Å; R72-D75 WeakPolarHBondContact CB-OD2 3.34Å; R72-D75 WeakPolarHBondContact CD-OD2 3.29Å; R72-D75 IonicContact NH1-OD2 2.66Å; R72-D75 PolarHBondContact O-N 3.27Å
73	L	85.5	Confident	83.9	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-70.8	-25.2	-169.7	-59.7	175.5	0	0	0	112.5	F67 F71 D75 L95 G97 V169	F67-L73 HydrophobicContact CB-CD2 3.56Å; F67-L73 HydrophobicContact CD2-CD2 4.35Å; F67-L73 HydrophobicContact CG-CD2 4.09Å; F71-L73 PolarHBondContact O-N 3.43Å; L73-D75 VanDerWaalsContact C-N 3.32Å; L73-D75 PolarHBondContact O-N 3.12Å; L73-L95 CarbonylContact C-O 3.51Å; L73-L95 HydrophobicContact CB-CB 3.66Å; L73-L95 VanDerWaalsContact CB-O 3.23Å; L73-L95 WeakPolarHBondContact CB-O 3.39Å; L73-L95 HydrophobicContact CD2-CD1 4.35Å; L73-L95 HydrophobicContact CG-CB 4.49Å; L73-G97 VanDerWaalsContact CB-O 3.32Å; L73-G97 WeakPolarHBondContact CB-O 3.18Å; L73-G97 PolarHBondContact N-O 2.82Å; L73-V169 HydrophobicContact CD1-CB 4.41Å; L73-V169 HydrophobicContact CD1-CG2 3.23Å
74	M	82.7	Confident	83	Confident	92 Å²	92	53.4 Å²	53.4	45%	0.453	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-75.3	-16	176.3	-65.3	-64.9	-62.9	0	0	114	R72 H76 F94 L95	R72-M74 PolarHBondContact O-N 2.9Å; M74-H76 VanDerWaalsContact C-N 3.3Å; M74-H76 PolarHBondContact O-N 3.37Å; M74-F94 HydrophobicContact CE-CB 3.75Å; M74-F94 HydrophobicContact CE-CD2 4.49Å; M74-F94 HydrophobicContact CE-CG 4.09Å; M74-F94 WeakPolarHBondContact O-CD1 3.31Å; M74-F94 HydrophobicContact SD-CB 3.67Å; M74-L95 PolarHBondContact N-O 3.1Å
75	D	78.6	Confident	81.6	Confident	97 Å²	97	55 Å²	55	52%	0.519	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-79.1	-17.2	-176.9	-72.1	-7.8	0	0	0	112.4	R72 L73 P77	R72-D75 HydrophobicContact CB-CB 4.17Å; R72-D75 VanDerWaalsContact CB-OD2 3.25Å; R72-D75 WeakPolarHBondContact CB-OD2 3.34Å; R72-D75 WeakPolarHBondContact CD-OD2 3.29Å; R72-D75 IonicContact NH1-OD2 2.66Å; R72-D75 PolarHBondContact O-N 3.27Å; L73-D75 VanDerWaalsContact C-N 3.32Å; L73-D75 PolarHBondContact O-N 3.12Å; D75-P77 VanDerWaalsContact O-CD 3.27Å; D75-P77 WeakPolarHBondContact O-CD 2.94Å
76	H	80.9	Confident	80.3	Confident	76 Å²	76	62 Å²	62	35%	0.352	33%	0.325	S	S	.	.	S	Bend	trans	-113.2	92	-176	-65.1	-63	0	0	0	111.4	N68 M74	N68-H76 PolarHBondContact OD1-NE2 2.97Å; M74-H76 VanDerWaalsContact C-N 3.3Å; M74-H76 PolarHBondContact O-N 3.37Å
77	P	81.4	Confident	78.7	Confident	72 Å²	72	60.5 Å²	60.5	47%	0.468	32%	0.32	S	S	.	.			trans	-67.8	138.3	173.4	24.7	-30.5	0	0	0	110.9	D75 Y93 F94	D75-P77 VanDerWaalsContact O-CD 3.27Å; D75-P77 WeakPolarHBondContact O-CD 2.94Å; P77-Y93 WeakPolarHBondContact CA-O 3.29Å; P77-F94 HydrophobicContact CB-CD1 3.99Å; P77-F94 HydrophobicContact CB-CE1 3.53Å; P77-F94 HydrophobicContact CB-CZ 4.02Å; P77-F94 HydrophobicContact CG-CE1 4.07Å
78	Y	81.6	Confident	77.1	Confident	6 Å²	6	67.5 Å²	67.5	2%	0.024	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	142.4	166.7	61.2	-89	0	0	0	110	F51 V63 A65 V80 S92 Y93 L95	F51-Y78 HydrophobicContact CE1-CD2 4.2Å; F51-Y78 HydrophobicContact CE1-CE2 4.07Å; F51-Y78 AromaticContact CZ-CD2 3.84Å; F51-Y78 HydrophobicContact CZ-CD2 3.84Å; F51-Y78 AromaticContact CZ-CE2 3.61Å; F51-Y78 HydrophobicContact CZ-CE2 3.61Å; V63-Y78 HydrophobicContact CG1-CD2 3.75Å; V63-Y78 HydrophobicContact CG1-CG 4.4Å; A65-Y78 HydrophobicContact CB-CD1 3.7Å; A65-Y78 HydrophobicContact CB-CE1 4.32Å; A65-Y78 HydrophobicContact CB-CG 3.91Å; Y78-V80 HydrophobicContact CD2-CG2 3.73Å; Y78-V80 HydrophobicContact CE2-CG2 3.63Å; Y78-S92 WeakPolarHBondContact O-CA 3.38Å; Y78-Y93 WeakPolarHBondContact CD1-O 3.39Å; Y78-Y93 VanDerWaalsContact CE2-CB 3.46Å; Y78-Y93 HydrophobicContact CE2-CG 4.28Å; Y78-Y93 PolarHBondContact N-O 3.41Å; Y78-Y93 PolarHBondContact O-N 2.97Å; Y78-L95 HydrophobicContact CD1-CG 4.39Å; Y78-L95 HydrophobicContact CE1-CD2 4.04Å; Y78-L95 HydrophobicContact CE1-CG 3.96Å
79	K	80.4	Confident	75.6	Confident	145 Å²	145	69.2 Å²	69.2	63%	0.63	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	123.7	-175.6	-71.6	-176.8	-176.7	-179.5	0	109.8	V63 P90	V63-K79 VanDerWaalsContact CG1-O 3.29Å; V63-K79 WeakPolarHBondContact CG1-O 3.11Å; V63-K79 WeakPolarHBondContact CG2-O 3.39Å; K79-P90 HydrophobicContact CB-CB 4.08Å; K79-P90 HydrophobicContact CD-CG 4.21Å
80	V	81.4	Confident	74.4	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.006	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	129.2	176.2	172.1	0	0	0	0	108.5	F51 I53 V63 Y78 D82 P90 K91 Y93 L179 V182	F51-V80 HydrophobicContact CE2-CG2 4.47Å; F51-V80 HydrophobicContact CZ-CG2 4.24Å; I53-V80 HydrophobicContact CD1-CG1 3.58Å; V63-V80 HydrophobicContact CG1-CG2 4.45Å; Y78-V80 HydrophobicContact CD2-CG2 3.73Å; Y78-V80 HydrophobicContact CE2-CG2 3.63Å; V80-D82 PolarHBondContact O-N 3.26Å; V80-P90 CarbonylContact O-C 3.58Å; V80-P90 VanDerWaalsContact O-CA 3.29Å; V80-P90 WeakPolarHBondContact O-CA 3.48Å; V80-P90 WeakPolarHBondContact O-CB 3.18Å; V80-K91 PolarHBondContact N-O 2.86Å; V80-K91 PolarHBondContact O-N 3.44Å; V80-Y93 HydrophobicContact CB-CD2 3.59Å; V80-Y93 HydrophobicContact CB-CE2 3.63Å; V80-Y93 HydrophobicContact CG1-CD2 4.38Å; V80-Y93 HydrophobicContact CG1-CE2 3.99Å; V80-Y93 HydrophobicContact CG2-CD2 3.44Å; V80-Y93 VanDerWaalsContact CG2-CD2 3.44Å; V80-Y93 HydrophobicContact CG2-CE2 3.91Å; V80-Y93 HydrophobicContact CG2-CG 4.25Å; V80-L179 HydrophobicContact CG1-CD2 4.45Å; V80-L179 HydrophobicContact CG2-CD2 4.13Å; V80-V182 HydrophobicContact CG1-CG1 4.44Å
81	P	75.8	Confident	73.6	Confident	17 Å²	17	73 Å²	73	11%	0.11	40%	0.397	C	S	.	.			trans	-60.8	133	173.4	24.7	-33.6	0	0	0	110.2	I53 E61 C83	I53-P81 HydrophobicContact CB-CG 4.5Å; I53-P81 HydrophobicContact CD1-CG 4.27Å; E61-P81 HydrophobicContact CB-CG 4.27Å; E61-P81 WeakPolarHBondContact OE2-CB 3.38Å; E61-P81 WeakPolarHBondContact OE2-CG 3.47Å; P81-C83 PolarHBondContact O-N 3.07Å
82	D	72.3	Confident	73.1	Confident	38 Å²	38	76 Å²	76	20%	0.203	42%	0.418	C	S	.	.			trans	-78.3	116.9	170.1	-152.6	-16.4	0	0	0	107.5	V80 D84 K91	V80-D82 PolarHBondContact O-N 3.26Å; D82-D84 PolarHBondContact O-N 3.48Å; D82-D84 PolarHBondContact OD1-N 2.6Å; D82-K91 IonicContact OD1-NZ 2.7Å; D82-K91 WeakPolarHBondContact OD2-CE 3.48Å; D82-K91 IonicContact OD2-NZ 3.76Å; D82-K91 PolarHBondContact OD2-NZ 3.07Å
83	C	70.1	Confident	72.6	Confident	38 Å²	38	73.3 Å²	73.3	26%	0.257	41%	0.408	S	S	.	.			trans	-81.1	6.4	178.3	-62.9	0	0	0	0	111.9	C55 P81 N186	C55-C83 HydrophobicContact CB-CB 3.73Å; C55-C83 WeakPolarHBondContact CB-SG 3.12Å; C55-C83 WeakPolarHBondContact SG-CB 3.26Å; C55-C83 CovalentContact SG-SG 2.04Å; C55-C83 PolarHBondContact SG-SG 2.94Å; P81-C83 PolarHBondContact O-N 3.07Å; C83-N186 WeakPolarHBondContact CB-ND2 3.42Å; C83-N186 VanDerWaalsContact SG-CG 3.54Å; C83-N186 PolarHBondContact SG-ND2 3.24Å
84	D	67.4	Low	72.5	Confident	106 Å²	106	77.5 Å²	77.5	57%	0.567	43%	0.426	S	S	*	.	S	Bend	trans	-82.4	131.9	177.2	-152.3	-8.6	0	0	0	111.7	D82 N86 V87	D82-D84 PolarHBondContact O-N 3.48Å; D82-D84 PolarHBondContact OD1-N 2.6Å; D84-N86 PolarHBondContact O-N 2.86Å; D84-V87 PolarHBondContact O-N 2.86Å
85	S	58.1	Low	72.4	Confident	107 Å²	107	73.2 Å²	73.2	75%	0.748	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-3.5	-160.4	49.2	0	0	0	0	116.7
86	N	58.6	Low	72.4	Confident	150 Å²	150	72 Å²	72	80%	0.802	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.7	1.8	-174.1	-78.7	-36.1	0	0	0	115.4	D84	D84-N86 PolarHBondContact O-N 2.86Å
87	V	55.3	Low	72.4	Confident	72 Å²	72	69.5 Å²	69.5	44%	0.436	40%	0.399	S	S	.	.			trans	-135.2	106.7	-176.9	-178.9	0	0	0	0	111	D84 T89	D84-V87 PolarHBondContact O-N 2.86Å; V87-T89 WeakPolarHBondContact CG1-OG1 3.15Å; V87-T89 PolarHBondContact O-N 2.5Å
88	T	55.3	Low	72.7	Confident	148 Å²	148	70.6 Å²	70.6	91%	0.908	40%	0.401	S	S	*	.			trans	-85.4	16.5	-178.9	-21.2	0	0	0	0	113.5
89	T	60.3	Low	73	Confident	94 Å²	94	71.6 Å²	71.6	58%	0.577	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-97.7	116.2	179.9	53.7	0	0	0	0	110.5	V87 K91	V87-T89 WeakPolarHBondContact CG1-OG1 3.15Å; V87-T89 PolarHBondContact O-N 2.5Å; T89-K91 PolarHBondContact O-N 3.27Å
90	P	66.5	Low	73.6	Confident	64 Å²	64	65.1 Å²	65.1	42%	0.416	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-63.3	130.8	177.9	23	-30.7	0	0	0	110.9	K79 V80	K79-P90 HydrophobicContact CB-CB 4.08Å; K79-P90 HydrophobicContact CD-CG 4.21Å; V80-P90 CarbonylContact O-C 3.58Å; V80-P90 VanDerWaalsContact O-CA 3.29Å; V80-P90 WeakPolarHBondContact O-CA 3.48Å; V80-P90 WeakPolarHBondContact O-CB 3.18Å
91	K	74.9	Confident	74.3	Confident	103 Å²	103	68.9 Å²	68.9	45%	0.448	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	135.3	175.9	-78.1	173.8	176	144.8	0	109.4	V80 D82 T89 Y93	V80-K91 PolarHBondContact N-O 2.86Å; V80-K91 PolarHBondContact O-N 3.44Å; D82-K91 IonicContact OD1-NZ 2.7Å; D82-K91 WeakPolarHBondContact OD2-CE 3.48Å; D82-K91 IonicContact OD2-NZ 3.76Å; D82-K91 PolarHBondContact OD2-NZ 3.07Å; T89-K91 PolarHBondContact O-N 3.27Å; K91-Y93 HydrophobicContact CB-CD2 4.31Å; K91-Y93 HydrophobicContact CB-CE2 3.73Å
92	S	78.5	Confident	75.2	Confident	64 Å²	64	69.3 Å²	69.3	45%	0.448	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	123.4	175.6	-61.3	0	0	0	0	109.1	Y78	Y78-S92 WeakPolarHBondContact O-CA 3.38Å
93	Y	79.9	Confident	76.3	Confident	48 Å²	48	67.5 Å²	67.5	19%	0.188	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	157.5	172.7	-71.3	-96.1	0	0	0	109.3	P77 Y78 V80 K91 L179	P77-Y93 WeakPolarHBondContact CA-O 3.29Å; Y78-Y93 WeakPolarHBondContact CD1-O 3.39Å; Y78-Y93 VanDerWaalsContact CE2-CB 3.46Å; Y78-Y93 HydrophobicContact CE2-CG 4.28Å; Y78-Y93 PolarHBondContact N-O 3.41Å; Y78-Y93 PolarHBondContact O-N 2.97Å; V80-Y93 HydrophobicContact CB-CD2 3.59Å; V80-Y93 HydrophobicContact CB-CE2 3.63Å; V80-Y93 HydrophobicContact CG1-CD2 4.38Å; V80-Y93 HydrophobicContact CG1-CE2 3.99Å; V80-Y93 HydrophobicContact CG2-CD2 3.44Å; V80-Y93 VanDerWaalsContact CG2-CD2 3.44Å; V80-Y93 HydrophobicContact CG2-CE2 3.91Å; V80-Y93 HydrophobicContact CG2-CG 4.25Å; K91-Y93 HydrophobicContact CB-CD2 4.31Å; K91-Y93 HydrophobicContact CB-CE2 3.73Å; Y93-L179 HydrophobicContact CD1-CD2 3.83Å; Y93-L179 HydrophobicContact CD2-CD2 4.08Å; Y93-L179 HydrophobicContact CE1-CD2 3.71Å; Y93-L179 HydrophobicContact CE2-CD2 3.96Å; Y93-L179 HydrophobicContact CG-CD2 4.01Å
94	F	83.4	Confident	77.5	Confident	90 Å²	90	69.3 Å²	69.3	40%	0.395	40%	0.403	S	S	.	.			trans	-124.6	141.9	-178.4	-58.6	-87.9	0	0	0	109.3	M74 P77 S96	M74-F94 HydrophobicContact CE-CB 3.75Å; M74-F94 HydrophobicContact CE-CD2 4.49Å; M74-F94 HydrophobicContact CE-CG 4.09Å; M74-F94 WeakPolarHBondContact O-CD1 3.31Å; M74-F94 HydrophobicContact SD-CB 3.67Å; P77-F94 HydrophobicContact CB-CD1 3.99Å; P77-F94 HydrophobicContact CB-CE1 3.53Å; P77-F94 HydrophobicContact CB-CZ 4.02Å; P77-F94 HydrophobicContact CG-CE1 4.07Å; F94-S96 PolarHBondContact O-N 3.08Å
95	L	79.7	Confident	78.9	Confident	2 Å²	2	67.7 Å²	67.7	1%	0.01	39%	0.392	C	S	.	.			trans	-73	125.1	169	-71.3	175.4	0	0	0	107.6	A65 F67 L73 M74 Y78 T170 I175	A65-L95 HydrophobicContact CB-CD1 4.06Å; A65-L95 HydrophobicContact CB-CG 4.37Å; F67-L95 HydrophobicContact CD1-CD1 4.46Å; L73-L95 CarbonylContact C-O 3.51Å; L73-L95 HydrophobicContact CB-CB 3.66Å; L73-L95 VanDerWaalsContact CB-O 3.23Å; L73-L95 WeakPolarHBondContact CB-O 3.39Å; L73-L95 HydrophobicContact CD2-CD1 4.35Å; L73-L95 HydrophobicContact CG-CB 4.49Å; M74-L95 PolarHBondContact N-O 3.1Å; Y78-L95 HydrophobicContact CD1-CG 4.39Å; Y78-L95 HydrophobicContact CE1-CD2 4.04Å; Y78-L95 HydrophobicContact CE1-CG 3.96Å; L95-T170 HydrophobicContact CD1-CG2 4.38Å; L95-I175 HydrophobicContact CD2-CD1 4.25Å; L95-I175 HydrophobicContact CD2-CG1 4.23Å
96	S	78.4	Confident	80.8	Confident	72 Å²	72	62.6 Å²	62.6	50%	0.503	36%	0.356	S	S	.	.			trans	-76.2	131.4	-174.4	-163.7	0	0	0	0	111.4	F94 V169	F94-S96 PolarHBondContact O-N 3.08Å; S96-V169 WeakPolarHBondContact O-CG1 3.4Å
97	G	80.3	Confident	82.6	Confident	22 Å²	22	56.3 Å²	56.3	23%	0.227	32%	0.323	C	S	.	.			trans	124.6	145.6	171.4	0	0	0	0	0	115	L73	L73-G97 VanDerWaalsContact CB-O 3.32Å; L73-G97 WeakPolarHBondContact CB-O 3.18Å; L73-G97 PolarHBondContact N-O 2.82Å
98	D	87.9	Confident	84.6	Confident	96 Å²	96	56 Å²	56	51%	0.513	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-120	109.1	167.2	-176.6	1.7	0	0	0	108.8	S100	D98-S100 WeakPolarHBondContact OD1-CB 3.33Å; D98-S100 PolarHBondContact OD1-N 2.84Å; D98-S100 PolarHBondContact OD1-OG 3.02Å; D98-S100 PolarHBondContact OD2-OG 3.09Å
99	H	89.6	Confident	86.6	Confident	26 Å²	26	49.3 Å²	49.3	12%	0.12	28%	0.282	C	S	.	.			trans	-109	17.9	178.3	-60.7	-61.1	0	0	0	112.3	F71 A103 D165 V166	F71-H99 HydrophobicContact CB-CB 4.23Å; F71-H99 PolarHBondContact O-N 2.89Å; H99-A103 PolarHBondContact O-N 3.49Å; H99-D165 WeakPolarHBondContact CE1-CB 3.24Å; H99-D165 IonicContact CE1-OD2 3.74Å; H99-D165 WeakPolarHBondContact NE2-CB 3.32Å; H99-V166 HydrophobicContact CB-CG2 4.07Å
100	S	93.1	Very high	88.4	Confident	9 Å²	9	44.8 Å²	44.8	6%	0.063	25%	0.254	C	S	.	.	H	α-helix	trans	-68.2	-36.4	-175.4	65.2	0	0	0	0	114.5	P70 D98 S102 A103 Q104	P70-S100 WeakPolarHBondContact O-CA 3.33Å; P70-S100 WeakPolarHBondContact O-CB 3.13Å; P70-S100 PolarHBondContact O-N 2.88Å; D98-S100 WeakPolarHBondContact OD1-CB 3.33Å; D98-S100 PolarHBondContact OD1-N 2.84Å; D98-S100 PolarHBondContact OD1-OG 3.02Å; D98-S100 PolarHBondContact OD2-OG 3.09Å; S100-S102 PolarHBondContact O-N 3.43Å; S100-A103 PolarHBondContact O-N 2.95Å; S100-Q104 WeakPolarHBondContact O-CB 3.47Å; S100-Q104 WeakPolarHBondContact O-CG 3.5Å; S100-Q104 PolarHBondContact O-N 3.48Å
101	S	94.3	Very high	89.9	Confident	80 Å²	80	44.4 Å²	44.4	56%	0.559	25%	0.25	S	S	*	.	H	α-helix	trans	-58.2	-50.3	177.4	57.4	0	0	0	0	112	F105	S101-F105 WeakPolarHBondContact O-CB 3.31Å; S101-F105 PolarHBondContact O-N 2.87Å
102	S	95.1	Very high	90.9	Very high	27 Å²	27	43.8 Å²	43.8	19%	0.189	25%	0.251	C	S	.	.	H	α-helix	trans	-63	-44.8	179.1	-61.3	0	0	0	0	112.3	S100 Y106	S100-S102 PolarHBondContact O-N 3.43Å; S102-Y106 WeakPolarHBondContact O-CB 3.2Å; S102-Y106 PolarHBondContact O-N 3.34Å; S102-Y106 VanDerWaalsContact O-N 3.09Å
103	A	94.9	Very high	91.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-67.3	-44.1	-179.4	0	0	0	0	0	112.1	T42 Y69 F71 H99 S100 Y106 V107 W159	T42-A103 HydrophobicContact CG2-CB 4.41Å; Y69-A103 HydrophobicContact CD2-CB 4.17Å; Y69-A103 HydrophobicContact CE2-CB 3.93Å; F71-A103 HydrophobicContact CD2-CB 3.63Å; F71-A103 HydrophobicContact CE2-CB 4Å; H99-A103 PolarHBondContact O-N 3.49Å; S100-A103 PolarHBondContact O-N 2.95Å; A103-Y106 PolarHBondContact O-N 3.43Å; A103-V107 WeakPolarHBondContact O-CG2 3.45Å; A103-V107 PolarHBondContact O-N 3.4Å; A103-W159 HydrophobicContact CB-CE3 3.86Å; A103-W159 HydrophobicContact CB-CH2 4.24Å; A103-W159 HydrophobicContact CB-CZ3 3.63Å
104	Q	96.3	Very high	92.6	Very high	76 Å²	76	41 Å²	41	36%	0.355	23%	0.232	S	C	.	.	H	α-helix	trans	-67.7	-40.8	179.2	-71.9	176	-14.9	0	0	111.8	Y69 P70 S100 V107 C108	Y69-Q104 WeakPolarHBondContact OH-CA 3.4Å; Y69-Q104 WeakPolarHBondContact OH-CG 3.37Å; P70-Q104 HydrophobicContact CB-CG 3.94Å; S100-Q104 WeakPolarHBondContact O-CB 3.47Å; S100-Q104 WeakPolarHBondContact O-CG 3.5Å; S100-Q104 PolarHBondContact O-N 3.48Å; Q104-V107 PolarHBondContact O-N 2.81Å; Q104-C108 WeakPolarHBondContact O-CB 3.1Å; Q104-C108 PolarHBondContact O-N 3.46Å
105	F	96.9	Very high	93.2	Very high	72 Å²	72	41.2 Å²	41.2	32%	0.316	24%	0.237	S	C	.	.	H	α-helix	trans	-59.1	-48.3	174.3	177.8	-128.2	0	0	0	110.9	S101 C108 I109 L151 V154 S155	S101-F105 WeakPolarHBondContact O-CB 3.31Å; S101-F105 PolarHBondContact O-N 2.87Å; F105-C108 WeakPolarHBondContact O-CB 3.08Å; F105-C108 PolarHBondContact O-N 2.72Å; F105-I109 HydrophobicContact CD2-CD1 4.4Å; F105-I109 HydrophobicContact CD2-CG1 4.15Å; F105-I109 HydrophobicContact CE2-CD1 3.82Å; F105-I109 HydrophobicContact CE2-CG1 3.79Å; F105-I109 HydrophobicContact CZ-CD1 4.41Å; F105-I109 HydrophobicContact CZ-CG1 4.12Å; F105-I109 WeakPolarHBondContact O-CG1 3.44Å; F105-I109 PolarHBondContact O-N 2.77Å; F105-L151 HydrophobicContact CZ-CD2 4.21Å; F105-V154 HydrophobicContact CE1-CB 4.48Å; F105-V154 HydrophobicContact CE1-CG1 4.05Å; F105-S155 VanDerWaalsContact CE1-CA 3.48Å; F105-S155 VanDerWaalsContact CE1-CB 3.48Å
106	Y	97.6	Very high	93.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.7	-48.4	176.4	-178	-103.6	0	0	0	113.8	A38 T42 S102 A103 C108 I109 G110 W152 W159 S202 G206	A38-Y106 HydrophobicContact CB-CE1 4.24Å; A38-Y106 VanDerWaalsContact CB-OH 3.24Å; A38-Y106 WeakPolarHBondContact CB-OH 3.49Å; T42-Y106 HydrophobicContact CG2-CD1 4.4Å; S102-Y106 WeakPolarHBondContact O-CB 3.2Å; S102-Y106 PolarHBondContact O-N 3.34Å; S102-Y106 VanDerWaalsContact O-N 3.09Å; A103-Y106 PolarHBondContact O-N 3.43Å; Y106-C108 VanDerWaalsContact C-N 3.33Å; Y106-C108 PolarHBondContact O-N 3.07Å; Y106-I109 PolarHBondContact O-N 2.86Å; Y106-G110 PolarHBondContact O-N 2.96Å; Y106-W152 HydrophobicContact CD2-CZ3 4.35Å; Y106-W152 HydrophobicContact CE2-CE3 4.07Å; Y106-W152 AromaticContact CE2-CZ3 3.54Å; Y106-W152 HydrophobicContact CE2-CZ3 3.54Å; Y106-W152 AromaticContact CZ-CZ3 3.81Å; Y106-W159 HydrophobicContact CD1-CB 4.42Å; Y106-W159 AromaticContact CD1-CD1 3.57Å; Y106-W159 HydrophobicContact CD1-CG 4.02Å; Y106-W159 HydrophobicContact CD2-CB 3.95Å; Y106-W159 HydrophobicContact CD2-CG 4.35Å; Y106-W159 AromaticContact CE1-CD1 3.72Å; Y106-W159 HydrophobicContact CG-CB 3.81Å; Y106-W159 AromaticContact CG-CD1 3.83Å; Y106-W159 AromaticContact CG-CG 3.9Å; Y106-W159 HydrophobicContact CG-CG 3.9Å; Y106-S202 PolarHBondContact OH-O 3.38Å; Y106-G206 WeakPolarHBondContact OH-CA 3.25Å; Y106-G206 PolarHBondContact OH-N 3.11Å; Y106-G206 VanDerWaalsContact OH-N 3.09Å
107	V	97.3	Very high	94.7	Very high	18 Å²	18	40 Å²	40	11%	0.109	22%	0.222	C	C	.	.	H	α-helix	trans	-63.3	-40.3	177.5	167.5	0	0	0	0	111.2	F39 T42 Y69 A103 Q104 G110 V111	F39-V107 HydrophobicContact CB-CG1 4.28Å; T42-V107 HydrophobicContact CG2-CG2 3.88Å; Y69-V107 HydrophobicContact CD2-CG2 4.48Å; Y69-V107 HydrophobicContact CE2-CB 4.29Å; Y69-V107 HydrophobicContact CE2-CG2 3.65Å; A103-V107 WeakPolarHBondContact O-CG2 3.45Å; A103-V107 PolarHBondContact O-N 3.4Å; Q104-V107 PolarHBondContact O-N 2.81Å; V107-G110 PolarHBondContact O-N 3.05Å; V107-V111 HydrophobicContact CG1-CG2 4.44Å; V107-V111 WeakPolarHBondContact O-CG2 3.37Å; V107-V111 PolarHBondContact O-N 3.37Å
108	C	97.3	Very high	95.3	Very high	66 Å²	66	41.2 Å²	41.2	45%	0.446	23%	0.225	S	C	.	.	H	α-helix	trans	-60.2	-48.5	177	-176.4	0	0	0	0	111.7	Q104 F105 Y106 G110 V111 L112	Q104-C108 WeakPolarHBondContact O-CB 3.1Å; Q104-C108 PolarHBondContact O-N 3.46Å; F105-C108 WeakPolarHBondContact O-CB 3.08Å; F105-C108 PolarHBondContact O-N 2.72Å; Y106-C108 VanDerWaalsContact C-N 3.33Å; Y106-C108 PolarHBondContact O-N 3.07Å; C108-G110 VanDerWaalsContact C-N 3.31Å; C108-G110 PolarHBondContact O-N 3.09Å; C108-V111 PolarHBondContact O-N 3.22Å; C108-L112 WeakPolarHBondContact O-CG 3.3Å; C108-L112 PolarHBondContact O-N 3.45Å
109	I	97.6	Very high	95.5	Very high	6 Å²	6	39 Å²	39	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-60.3	-42.3	176.2	-62.6	-46.7	0	0	0	111	F105 Y106 V111 L112 A113 L151 W152	F105-I109 HydrophobicContact CD2-CD1 4.4Å; F105-I109 HydrophobicContact CD2-CG1 4.15Å; F105-I109 HydrophobicContact CE2-CD1 3.82Å; F105-I109 HydrophobicContact CE2-CG1 3.79Å; F105-I109 HydrophobicContact CZ-CD1 4.41Å; F105-I109 HydrophobicContact CZ-CG1 4.12Å; F105-I109 WeakPolarHBondContact O-CG1 3.44Å; F105-I109 PolarHBondContact O-N 2.77Å; Y106-I109 PolarHBondContact O-N 2.86Å; I109-V111 PolarHBondContact O-N 2.95Å; I109-L112 PolarHBondContact O-N 3.41Å; I109-A113 VanDerWaalsContact O-CB 3.25Å; I109-A113 WeakPolarHBondContact O-CB 3.4Å; I109-A113 PolarHBondContact O-N 3.29Å; I109-L151 HydrophobicContact CD1-CB 3.94Å; I109-L151 HydrophobicContact CD1-CD1 3.96Å; I109-L151 HydrophobicContact CD1-CD2 4.14Å; I109-L151 HydrophobicContact CD1-CG 4.23Å; I109-L151 HydrophobicContact CG1-CB 4.19Å; I109-L151 HydrophobicContact CG2-CB 3.98Å; I109-W152 HydrophobicContact CG2-CD2 4.23Å; I109-W152 HydrophobicContact CG2-CG 4.39Å
110	G	97	Very high	95.5	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-41.4	175.8	0	0	0	0	0	113.7	Y106 V107 C108 F114	Y106-G110 PolarHBondContact O-N 2.96Å; V107-G110 PolarHBondContact O-N 3.05Å; C108-G110 VanDerWaalsContact C-N 3.31Å; C108-G110 PolarHBondContact O-N 3.09Å; G110-F114 WeakPolarHBondContact O-CB 3.08Å; G110-F114 PolarHBondContact O-N 3.47Å
111	V	97.3	Very high	95.2	Very high	56 Å²	56	38.5 Å²	38.5	34%	0.339	22%	0.217	S	C	.	.	H	α-helix	trans	-69.2	-42.8	177.5	173.9	0	0	0	0	111.4	F39 V107 C108 I109 A113 F114 L115	F39-V111 HydrophobicContact CD1-CG2 4.25Å; F39-V111 HydrophobicContact CD2-CG2 4.26Å; F39-V111 HydrophobicContact CG-CG2 4.1Å; V107-V111 HydrophobicContact CG1-CG2 4.44Å; V107-V111 WeakPolarHBondContact O-CG2 3.37Å; V107-V111 PolarHBondContact O-N 3.37Å; C108-V111 PolarHBondContact O-N 3.22Å; I109-V111 PolarHBondContact O-N 2.95Å; V111-A113 VanDerWaalsContact C-N 3.35Å; V111-A113 PolarHBondContact O-N 3.46Å; V111-F114 WeakPolarHBondContact O-CB 3.27Å; V111-F114 PolarHBondContact O-N 2.96Å; V111-L115 HydrophobicContact CG1-CD1 4.3Å; V111-L115 WeakPolarHBondContact O-CG 3.08Å; V111-L115 PolarHBondContact O-N 2.83Å
112	L	96.9	Very high	95	Very high	89 Å²	89	38.9 Å²	38.9	47%	0.466	21%	0.212	S	C	.	.	H	α-helix	trans	-62.4	-42.7	176	-69.6	175.1	0	0	0	111.7	C108 I109 L115 Y116	C108-L112 WeakPolarHBondContact O-CG 3.3Å; C108-L112 PolarHBondContact O-N 3.45Å; I109-L112 PolarHBondContact O-N 3.41Å; L112-L115 PolarHBondContact O-N 3.35Å; L112-Y116 WeakPolarHBondContact O-CB 3.36Å; L112-Y116 PolarHBondContact O-N 3.03Å
113	A	96.6	Very high	94.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-58.7	-46.6	173.5	0	0	0	0	0	111.5	A35 I109 V111 L115 Y116 C117 W152 W213	A35-A113 HydrophobicContact CB-CB 4.32Å; I109-A113 VanDerWaalsContact O-CB 3.25Å; I109-A113 WeakPolarHBondContact O-CB 3.4Å; I109-A113 PolarHBondContact O-N 3.29Å; V111-A113 VanDerWaalsContact C-N 3.35Å; V111-A113 PolarHBondContact O-N 3.46Å; A113-L115 PolarHBondContact O-N 3.47Å; A113-Y116 PolarHBondContact O-N 3.39Å; A113-C117 WeakPolarHBondContact O-CB 3.45Å; A113-C117 PolarHBondContact O-N 3.28Å; A113-C117 PolarHBondContact O-SG 3.26Å; A113-W152 HydrophobicContact CB-CZ2 3.96Å; A113-W213 HydrophobicContact CB-CH2 4.24Å; A113-W213 HydrophobicContact CB-CZ2 3.6Å
114	F	96.6	Very high	93.9	Very high	53 Å²	53	42 Å²	42	23%	0.232	23%	0.226	C	C	.	.	H	α-helix	trans	-58.9	-46.4	176.3	164.5	-95.9	0	0	0	112.8	W32 A35 I36 F39 G110 V111 C117 T118	W32-F114 AromaticContact CD1-CD2 3.6Å; W32-F114 AromaticContact CD1-CE2 3.87Å; W32-F114 AromaticContact CE2-CE2 3.6Å; W32-F114 AromaticContact CZ2-CE2 3.9Å; W32-F114 HydrophobicContact CZ2-CE2 3.9Å; W32-F114 AromaticContact NE1-CD2 3.29Å; W32-F114 VanDerWaalsContact NE1-CD2 3.29Å; W32-F114 AromaticContact NE1-CE2 3.05Å; W32-F114 AromaticContact NE1-CZ 3.98Å; A35-F114 HydrophobicContact CB-CB 4.42Å; I36-F114 HydrophobicContact CD1-CD2 4Å; I36-F114 HydrophobicContact CD1-CE2 3.88Å; I36-F114 HydrophobicContact CG1-CD2 3.65Å; I36-F114 HydrophobicContact CG1-CE2 3.95Å; F39-F114 HydrophobicContact CE1-CB 3.96Å; F39-F114 HydrophobicContact CE1-CG 4.21Å; G110-F114 WeakPolarHBondContact O-CB 3.08Å; G110-F114 PolarHBondContact O-N 3.47Å; V111-F114 WeakPolarHBondContact O-CB 3.27Å; V111-F114 PolarHBondContact O-N 2.96Å; F114-C117 PolarHBondContact O-N 3.43Å; F114-T118 WeakPolarHBondContact O-CB 3.41Å; F114-T118 PolarHBondContact O-N 3.2Å; F114-T118 PolarHBondContact O-OG1 3.5Å
115	L	96.4	Very high	93.3	Very high	96 Å²	96	39.4 Å²	39.4	50%	0.503	22%	0.215	S	C	.	.	H	α-helix	trans	-64.1	-42.5	178.5	-69.1	175.3	0	0	0	111.2	V111 L112 A113 T118 A119	V111-L115 HydrophobicContact CG1-CD1 4.3Å; V111-L115 WeakPolarHBondContact O-CG 3.08Å; V111-L115 PolarHBondContact O-N 2.83Å; L112-L115 PolarHBondContact O-N 3.35Å; A113-L115 PolarHBondContact O-N 3.47Å; L115-T118 PolarHBondContact O-N 3.09Å; L115-A119 PolarHBondContact O-N 2.74Å
116	Y	95.3	Very high	92.5	Very high	49 Å²	49	36 Å²	36	19%	0.192	20%	0.2	C	C	.	.	H	α-helix	trans	-63.4	-46.8	176.2	-179.3	-97.5	0	0	0	112.5	L112 A113 T118 A119 S120 D141 V144 L148 W213	L112-Y116 WeakPolarHBondContact O-CB 3.36Å; L112-Y116 PolarHBondContact O-N 3.03Å; A113-Y116 PolarHBondContact O-N 3.39Å; Y116-T118 VanDerWaalsContact C-N 3.27Å; Y116-T118 PolarHBondContact O-N 2.87Å; Y116-A119 PolarHBondContact O-N 3.29Å; Y116-S120 WeakPolarHBondContact O-CB 3.4Å; Y116-S120 PolarHBondContact O-N 2.98Å; Y116-S120 PolarHBondContact O-OG 3.1Å; Y116-D141 WeakPolarHBondContact OH-CA 3.18Å; Y116-D141 VanDerWaalsContact OH-CG 3.3Å; Y116-D141 PolarHBondContact OH-OD1 2.58Å; Y116-V144 HydrophobicContact CD1-CG1 4.43Å; Y116-V144 HydrophobicContact CD2-CG1 3.55Å; Y116-V144 HydrophobicContact CE1-CG1 4.19Å; Y116-V144 HydrophobicContact CE2-CB 3.79Å; Y116-V144 HydrophobicContact CE2-CG1 3.29Å; Y116-V144 HydrophobicContact CE2-CG2 4.31Å; Y116-V144 HydrophobicContact CG-CG1 4.1Å; Y116-L148 HydrophobicContact CD1-CD1 4.15Å; Y116-L148 HydrophobicContact CG-CD1 4.06Å; Y116-W213 AromaticContact CD1-CH2 3.55Å; Y116-W213 HydrophobicContact CD1-CH2 3.55Å; Y116-W213 AromaticContact CD1-CZ3 3.85Å; Y116-W213 HydrophobicContact CD1-CZ3 3.85Å; Y116-W213 HydrophobicContact CE1-CH2 4.21Å; Y116-W213 HydrophobicContact CE1-CZ3 4.08Å; Y116-W213 HydrophobicContact CG-CH2 4.38Å
117	C	94.1	Very high	91.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.9	-39.8	176.1	-70.9	0	0	0	0	111.4	W32 A113 F114 S120 L121 W213	W32-C117 HydrophobicContact CB-CB 3.8Å; W32-C117 HydrophobicContact CG-CB 4.23Å; A113-C117 WeakPolarHBondContact O-CB 3.45Å; A113-C117 PolarHBondContact O-N 3.28Å; A113-C117 PolarHBondContact O-SG 3.26Å; F114-C117 PolarHBondContact O-N 3.43Å; C117-S120 VanDerWaalsContact CA-OG 3.29Å; C117-S120 WeakPolarHBondContact CA-OG 3.39Å; C117-S120 PolarHBondContact O-OG 3.36Å; C117-S120 VanDerWaalsContact O-OG 3.05Å; C117-L121 VanDerWaalsContact O-CB 3.29Å; C117-L121 WeakPolarHBondContact O-CB 3.33Å; C117-L121 WeakPolarHBondContact O-CG 3.41Å; C117-L121 PolarHBondContact O-N 3.32Å; C117-W213 WeakPolarHBondContact SG-CZ2 3.36Å
118	T	93.1	Very high	90.5	Very high	47 Å²	47	39.9 Å²	39.9	29%	0.288	21%	0.214	S	C	.	.	H	α-helix	trans	-62.6	-48.2	176.2	-55.4	0	0	0	0	111.2	W32 F114 L115 Y116 L121 I122	W32-T118 PolarHBondContact NE1-OG1 2.72Å; W32-T118 VanDerWaalsContact NE1-OG1 3.12Å; F114-T118 WeakPolarHBondContact O-CB 3.41Å; F114-T118 PolarHBondContact O-N 3.2Å; F114-T118 PolarHBondContact O-OG1 3.5Å; L115-T118 PolarHBondContact O-N 3.09Å; Y116-T118 VanDerWaalsContact C-N 3.27Å; Y116-T118 PolarHBondContact O-N 2.87Å; T118-L121 PolarHBondContact O-N 2.93Å; T118-I122 HydrophobicContact CG2-CD1 4.2Å; T118-I122 VanDerWaalsContact O-CG1 3.3Å; T118-I122 WeakPolarHBondContact O-CG1 3.48Å; T118-I122 PolarHBondContact O-N 3.48Å; T118-I122 VanDerWaalsContact O-N 3.1Å
119	A	91.9	Very high	89.4	Confident	50 Å²	50	40.9 Å²	40.9	41%	0.413	21%	0.212	S	C	.	.	H	α-helix	trans	-63.7	-44.7	178.6	0	0	0	0	0	112.4	L115 Y116 I122 L123	L115-A119 PolarHBondContact O-N 2.74Å; Y116-A119 PolarHBondContact O-N 3.29Å; A119-I122 PolarHBondContact O-N 2.83Å; A119-L123 WeakPolarHBondContact O-CG 3.42Å; A119-L123 PolarHBondContact O-N 2.89Å
120	S	89.2	Confident	88.4	Confident	4 Å²	4	44.1 Å²	44.1	3%	0.028	23%	0.233	C	C	.	.	H	α-helix	trans	-66.7	-38.8	178.8	52.5	0	0	0	0	112.5	R28 Y116 C117 I122 L123 Y124	R28-S120 VanDerWaalsContact CD-OG 3.3Å; R28-S120 WeakPolarHBondContact CD-OG 3.05Å; R28-S120 WeakPolarHBondContact CG-OG 2.96Å; Y116-S120 WeakPolarHBondContact O-CB 3.4Å; Y116-S120 PolarHBondContact O-N 2.98Å; Y116-S120 PolarHBondContact O-OG 3.1Å; C117-S120 VanDerWaalsContact CA-OG 3.29Å; C117-S120 WeakPolarHBondContact CA-OG 3.39Å; C117-S120 PolarHBondContact O-OG 3.36Å; C117-S120 VanDerWaalsContact O-OG 3.05Å; S120-I122 PolarHBondContact O-N 3.39Å; S120-L123 PolarHBondContact O-N 3.34Å; S120-Y124 WeakPolarHBondContact O-CB 3.48Å; S120-Y124 WeakPolarHBondContact O-CD1 3.45Å; S120-Y124 PolarHBondContact O-N 2.66Å
121	L	88.8	Confident	87.3	Confident	19 Å²	19	45.3 Å²	45.3	10%	0.099	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-41.3	173.2	-75.9	168.7	0	0	0	111.9	R28 L29 W32 C117 T118 L123 Y124 L125	R28-L121 HydrophobicContact CB-CD2 4.22Å; R28-L121 HydrophobicContact CG-CD2 4.18Å; R28-L121 HydrophobicContact CG-CG 4.03Å; L29-L121 HydrophobicContact CD1-CD1 4.33Å; W32-L121 HydrophobicContact CB-CD1 4.33Å; W32-L121 HydrophobicContact CG-CD1 4.37Å; C117-L121 VanDerWaalsContact O-CB 3.29Å; C117-L121 WeakPolarHBondContact O-CB 3.33Å; C117-L121 WeakPolarHBondContact O-CG 3.41Å; C117-L121 PolarHBondContact O-N 3.32Å; T118-L121 PolarHBondContact O-N 2.93Å; L121-L123 VanDerWaalsContact C-N 3.31Å; L121-L123 PolarHBondContact O-N 3.4Å; L121-Y124 PolarHBondContact O-N 2.65Å; L121-L125 WeakPolarHBondContact O-CB 3.19Å; L121-L125 VanDerWaalsContact O-CG 3.26Å; L121-L125 WeakPolarHBondContact O-CG 3.46Å; L121-L125 PolarHBondContact O-N 3.43Å
122	I	88.4	Confident	86.1	Confident	88 Å²	88	48.9 Å²	48.9	45%	0.451	25%	0.245	S	C	.	.	H	α-helix	trans	-61.5	-41.8	174.5	-68.2	165.5	0	0	0	110.6	T118 A119 S120 G126 Y127	T118-I122 HydrophobicContact CG2-CD1 4.2Å; T118-I122 VanDerWaalsContact O-CG1 3.3Å; T118-I122 WeakPolarHBondContact O-CG1 3.48Å; T118-I122 PolarHBondContact O-N 3.48Å; T118-I122 VanDerWaalsContact O-N 3.1Å; A119-I122 PolarHBondContact O-N 2.83Å; S120-I122 PolarHBondContact O-N 3.39Å; I122-G126 WeakPolarHBondContact O-CA 3.24Å; I122-G126 PolarHBondContact O-N 3.46Å; I122-Y127 HydrophobicContact CG2-CE2 4.45Å
123	L	85.9	Confident	85.1	Confident	84 Å²	84	51.9 Å²	51.9	44%	0.44	26%	0.256	S	S	.	.	H	α-helix	trans	-65.3	-43.6	176.9	-71.5	174.3	0	0	0	112.2	A119 S120 L121 Y127 Q128	A119-L123 WeakPolarHBondContact O-CG 3.42Å; A119-L123 PolarHBondContact O-N 2.89Å; S120-L123 PolarHBondContact O-N 3.34Å; L121-L123 VanDerWaalsContact C-N 3.31Å; L121-L123 PolarHBondContact O-N 3.4Å; L123-Y127 HydrophobicContact CD2-CD2 4.43Å; L123-Y127 CarbonylContact O-C 3.07Å; L123-Y127 WeakPolarHBondContact O-CA 3.36Å; L123-Y127 PolarHBondContact O-N 3.09Å; L123-Q128 PolarHBondContact O-N 3.37Å
124	Y	82.3	Confident	84.1	Confident	8 Å²	8	54.1 Å²	54.1	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-68.9	-41.9	-179.4	-65.6	-11.4	0	0	0	112.8	L24 A25 R28 S120 L121 Q128 Y131 D141	L24-Y124 HydrophobicContact CD2-CE1 4.46Å; L24-Y124 HydrophobicContact CD2-CE2 4.21Å; L24-Y124 HydrophobicContact CG-CE2 4.05Å; A25-Y124 HydrophobicContact CB-CD2 3.93Å; R28-Y124 HydrophobicContact CB-CE2 4.3Å; R28-Y124 HydrophobicContact CG-CE2 4.26Å; R28-Y124 PolarHBondContact NH2-OH 2.92Å; S120-Y124 WeakPolarHBondContact O-CB 3.48Å; S120-Y124 WeakPolarHBondContact O-CD1 3.45Å; S120-Y124 PolarHBondContact O-N 2.66Å; L121-Y124 PolarHBondContact O-N 2.65Å; Y124-Q128 WeakPolarHBondContact O-CB 3.14Å; Y124-Y131 HydrophobicContact CD1-CD1 4.38Å; Y124-Y131 HydrophobicContact CD1-CD2 4.34Å; Y124-Y131 HydrophobicContact CD1-CE1 4.43Å; Y124-Y131 HydrophobicContact CD1-CE2 4.41Å; Y124-Y131 HydrophobicContact CD1-CG 4.33Å; Y124-Y131 HydrophobicContact CE1-CD1 4.36Å; Y124-Y131 HydrophobicContact CE1-CD2 4.04Å; Y124-Y131 HydrophobicContact CE1-CE1 4.02Å; Y124-Y131 AromaticContact CE1-CE2 3.68Å; Y124-Y131 HydrophobicContact CE1-CE2 3.68Å; Y124-Y131 HydrophobicContact CE1-CG 4.37Å; Y124-Y131 AromaticContact CE1-CZ 3.67Å; Y124-D141 PolarHBondContact OH-OD2 3.27Å
125	L	82.2	Confident	83.1	Confident	23 Å²	23	55.1 Å²	55.1	12%	0.12	28%	0.284	C	S	.	.	H	α-helix	trans	-86.7	-29	-175	-59.3	176.4	0	0	0	113.2	L15 D16 P19 L20 L121	L15-L125 WeakPolarHBondContact CA-O 3.49Å; D16-L125 PolarHBondContact N-O 3.3Å; D16-L125 VanDerWaalsContact O-CD2 3.31Å; D16-L125 WeakPolarHBondContact O-CD2 3.34Å; P19-L125 HydrophobicContact CB-CD2 4.39Å; L20-L125 HydrophobicContact CD1-CD2 4.45Å; L20-L125 HydrophobicContact CD2-CD1 4.49Å; L20-L125 HydrophobicContact CD2-CD2 3.93Å; L20-L125 HydrophobicContact CG-CD2 3.75Å; L121-L125 WeakPolarHBondContact O-CB 3.19Å; L121-L125 VanDerWaalsContact O-CG 3.26Å; L121-L125 WeakPolarHBondContact O-CG 3.46Å; L121-L125 PolarHBondContact O-N 3.43Å
126	G	80.6	Confident	82.4	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-107.8	-27.4	-173.3	0	0	0	0	0	115.2	F13 T14 I122	F13-G126 VanDerWaalsContact CD2-CA 3.5Å; F13-G126 VanDerWaalsContact CE2-CA 3.45Å; T14-G126 PolarHBondContact N-O 3.37Å; I122-G126 WeakPolarHBondContact O-CA 3.24Å; I122-G126 PolarHBondContact O-N 3.46Å
127	Y	79.4	Confident	81.9	Confident	54 Å²	54	58.7 Å²	58.7	21%	0.212	30%	0.298	C	S	.	.			trans	-134.9	35.8	-171.2	-62.7	-76	0	0	0	112.4	S11 F13 I122 L123 H129 V130 Y131	S11-Y127 WeakPolarHBondContact O-CE1 3.24Å; S11-Y127 PolarHBondContact OG-OH 3.42Å; F13-Y127 HydrophobicContact CB-CE1 4.36Å; F13-Y127 HydrophobicContact CD2-CD2 4.37Å; F13-Y127 AromaticContact CD2-CE2 3.81Å; F13-Y127 HydrophobicContact CD2-CE2 3.81Å; I122-Y127 HydrophobicContact CG2-CE2 4.45Å; L123-Y127 HydrophobicContact CD2-CD2 4.43Å; L123-Y127 CarbonylContact O-C 3.07Å; L123-Y127 WeakPolarHBondContact O-CA 3.36Å; L123-Y127 PolarHBondContact O-N 3.09Å; Y127-H129 PolarHBondContact O-N 3.26Å; Y127-H129 VanDerWaalsContact O-N 3.13Å; Y127-V130 HydrophobicContact CD1-CG2 4.33Å; Y127-V130 WeakPolarHBondContact O-CB 3.26Å; Y127-V130 PolarHBondContact O-N 3.27Å; Y127-Y131 PolarHBondContact O-N 2.63Å; Y127-Y131 VanDerWaalsContact O-N 3.08Å
128	Q	74.6	Confident	81.5	Confident	45 Å²	45	59.1 Å²	59.1	21%	0.21	30%	0.301	C	S	.	.	H	α-helix	trans	-56	-35	-177.1	-164.8	177.5	-2.3	0	0	112.8	L123 Y124 V130 Y131 R132	L123-Q128 PolarHBondContact O-N 3.37Å; Y124-Q128 WeakPolarHBondContact O-CB 3.14Å; Q128-V130 PolarHBondContact O-N 2.64Å; Q128-Y131 PolarHBondContact O-N 2.91Å; Q128-R132 PolarHBondContact O-N 3.21Å
129	H	72.8	Confident	81.2	Confident	87 Å²	87	59.2 Å²	59.2	40%	0.403	30%	0.299	S	S	.	.	H	α-helix	trans	-61.2	-41.5	175.4	67.7	-86.3	0	0	0	111.9	Y127 Q133	Y127-H129 PolarHBondContact O-N 3.26Å; Y127-H129 VanDerWaalsContact O-N 3.13Å; H129-Q133 WeakPolarHBondContact O-CB 3.43Å; H129-Q133 VanDerWaalsContact O-CD 3.31Å; H129-Q133 WeakPolarHBondContact O-CG 3.43Å; H129-Q133 PolarHBondContact O-N 3.16Å
130	V	77.8	Confident	81.1	Confident	75 Å²	75	60.7 Å²	60.7	46%	0.455	30%	0.303	S	S	.	.	H	α-helix	trans	-68.3	-41.2	176.6	-174.7	0	0	0	0	110.9	Y127 Q128 R132	Y127-V130 HydrophobicContact CD1-CG2 4.33Å; Y127-V130 WeakPolarHBondContact O-CB 3.26Å; Y127-V130 PolarHBondContact O-N 3.27Å; Q128-V130 PolarHBondContact O-N 2.64Å; V130-R132 PolarHBondContact O-N 3.25Å
131	Y	73.9	Confident	81.2	Confident	24 Å²	24	60.9 Å²	60.9	9%	0.094	30%	0.304	C	S	.	.	H	α-helix	trans	-63	-40.6	179.9	-179.7	-101.7	0	0	0	112.4	Y124 Y127 Q128 P138 D141	Y124-Y131 HydrophobicContact CD1-CD1 4.38Å; Y124-Y131 HydrophobicContact CD1-CD2 4.34Å; Y124-Y131 HydrophobicContact CD1-CE1 4.43Å; Y124-Y131 HydrophobicContact CD1-CE2 4.41Å; Y124-Y131 HydrophobicContact CD1-CG 4.33Å; Y124-Y131 HydrophobicContact CE1-CD1 4.36Å; Y124-Y131 HydrophobicContact CE1-CD2 4.04Å; Y124-Y131 HydrophobicContact CE1-CE1 4.02Å; Y124-Y131 AromaticContact CE1-CE2 3.68Å; Y124-Y131 HydrophobicContact CE1-CE2 3.68Å; Y124-Y131 HydrophobicContact CE1-CG 4.37Å; Y124-Y131 AromaticContact CE1-CZ 3.67Å; Y127-Y131 PolarHBondContact O-N 2.63Å; Y127-Y131 VanDerWaalsContact O-N 3.08Å; Q128-Y131 PolarHBondContact O-N 2.91Å; Y131-P138 HydrophobicContact CE1-CG 4.22Å; Y131-P138 HydrophobicContact CE2-CG 4.5Å; Y131-D141 HydrophobicContact CE2-CB 4.36Å; Y131-D141 PolarHBondContact OH-OD2 3.02Å
132	R	72	Confident	81.4	Confident	132 Å²	132	61.4 Å²	61.4	50%	0.498	31%	0.306	S	S	.	.	H	α-helix	trans	-86.5	-21.8	-179.2	-72	-170.7	176.6	175	5.2	114.4	E22 Q128 V130 S134	E22-R132 IonicContact OE1-NH2 2.69Å; E22-R132 PolarHBondContact OE1-NH2 3.27Å; E22-R132 IonicContact OE2-NH2 2.86Å; E22-R132 PolarHBondContact OE2-NH2 3.05Å; E22-R132 VanDerWaalsContact OE2-NH2 3.1Å; Q128-R132 PolarHBondContact O-N 3.21Å; V130-R132 PolarHBondContact O-N 3.25Å; R132-S134 VanDerWaalsContact C-N 3.32Å; R132-S134 PolarHBondContact O-N 3.07Å
133	Q	75.8	Confident	81.7	Confident	151 Å²	151	62.6 Å²	62.6	71%	0.706	31%	0.313	S	S	*	.	H	α-helix	trans	-68.1	-27	-177.7	-87.5	170.5	11.7	0	0	114	H129	H129-Q133 WeakPolarHBondContact O-CB 3.43Å; H129-Q133 VanDerWaalsContact O-CD 3.31Å; H129-Q133 WeakPolarHBondContact O-CG 3.43Å; H129-Q133 PolarHBondContact O-N 3.16Å
134	S	76.1	Confident	82.2	Confident	47 Å²	47	60.9 Å²	60.9	33%	0.329	31%	0.306	S	S	.	.			trans	-122.4	133.9	-178	-174.2	0	0	0	0	111.9	R132 R136 G137 P138	R132-S134 VanDerWaalsContact C-N 3.32Å; R132-S134 PolarHBondContact O-N 3.07Å; S134-R136 PolarHBondContact O-N 2.94Å; S134-R136 PolarHBondContact OG-N 3.32Å; S134-G137 PolarHBondContact O-N 3.48Å; S134-P138 WeakPolarHBondContact O-CD 3.19Å
135	P	74.9	Confident	82.8	Confident	75 Å²	75	60.5 Å²	60.5	49%	0.487	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-16.6	176	26.8	-34.6	0	0	0	113	G137 I139 P225	P135-G137 VanDerWaalsContact C-N 3.33Å; P135-G137 PolarHBondContact O-N 2.98Å; P135-I139 WeakPolarHBondContact O-CD1 3.42Å; P135-I139 VanDerWaalsContact O-CG1 3.27Å; P135-I139 WeakPolarHBondContact O-CG1 3.24Å; P135-I139 PolarHBondContact O-N 2.98Å; P135-P225 HydrophobicContact CB-CG 3.49Å; P135-P225 VanDerWaalsContact CB-CG 3.49Å
136	R	81.3	Confident	83.4	Confident	194 Å²	194	61.5 Å²	61.5	73%	0.732	32%	0.316	S	S	*	.	H	α-helix	trans	-67.4	-30.7	179.7	-66.1	-177.3	178.5	153.8	0.1	113.2	S134 T140	S134-R136 PolarHBondContact O-N 2.94Å; S134-R136 PolarHBondContact OG-N 3.32Å; R136-T140 WeakPolarHBondContact O-CB 3.48Å; R136-T140 PolarHBondContact O-N 3.37Å; R136-T140 PolarHBondContact O-OG1 2.99Å
137	G	84.2	Confident	84.2	Confident	25 Å²	25	64.7 Å²	64.7	26%	0.258	34%	0.339	S	S	.	.	H	α-helix	trans	-61	-63	-179.8	0	0	0	0	0	111.5	S134 P135 I139 T140 D141	S134-G137 PolarHBondContact O-N 3.48Å; P135-G137 VanDerWaalsContact C-N 3.33Å; P135-G137 PolarHBondContact O-N 2.98Å; G137-I139 VanDerWaalsContact C-N 3.3Å; G137-I139 PolarHBondContact O-N 2.89Å; G137-T140 PolarHBondContact O-N 3.5Å; G137-D141 WeakPolarHBondContact O-CB 3.46Å; G137-D141 PolarHBondContact O-N 3.27Å
138	P	85.7	Confident	85	Confident	10 Å²	10	62.8 Å²	62.8	7%	0.065	33%	0.332	C	S	.	.	H	α-helix	trans	-58.6	-35.4	178.8	-27	35.5	0	0	0	114.3	Y131 S134 L142 I220 E223 T224	Y131-P138 HydrophobicContact CE1-CG 4.22Å; Y131-P138 HydrophobicContact CE2-CG 4.5Å; S134-P138 WeakPolarHBondContact O-CD 3.19Å; P138-L142 WeakPolarHBondContact O-CB 3.48Å; P138-L142 PolarHBondContact O-N 3.26Å; P138-I220 WeakPolarHBondContact O-CG2 3.41Å; P138-E223 HydrophobicContact CB-CB 4.24Å; P138-T224 HydrophobicContact CB-CG2 4.09Å
139	I	87.8	Confident	86.1	Confident	48 Å²	48	61 Å²	61	25%	0.246	33%	0.325	C	S	.	.	H	α-helix	trans	-67.9	-47	178.1	-65.8	170	0	0	0	111.1	P135 G137 D141 L142 L143 T224 P225 F226	P135-I139 WeakPolarHBondContact O-CD1 3.42Å; P135-I139 VanDerWaalsContact O-CG1 3.27Å; P135-I139 WeakPolarHBondContact O-CG1 3.24Å; P135-I139 PolarHBondContact O-N 2.98Å; G137-I139 VanDerWaalsContact C-N 3.3Å; G137-I139 PolarHBondContact O-N 2.89Å; I139-D141 VanDerWaalsContact C-N 3.28Å; I139-D141 PolarHBondContact O-N 3.38Å; I139-L142 PolarHBondContact O-N 2.91Å; I139-L143 HydrophobicContact CG2-CD1 4.39Å; I139-L143 WeakPolarHBondContact O-CG 3.3Å; I139-L143 PolarHBondContact O-N 2.9Å; I139-L143 VanDerWaalsContact O-N 3.08Å; I139-T224 HydrophobicContact CG1-CG2 4.3Å; I139-P225 HydrophobicContact CD1-CG 4.39Å; I139-F226 HydrophobicContact CD1-CE2 4.19Å; I139-F226 HydrophobicContact CD1-CZ 4.03Å; I139-F226 HydrophobicContact CG1-CE2 3.92Å; I139-F226 HydrophobicContact CG1-CZ 4.26Å; I139-F226 HydrophobicContact CG2-CE2 4.34Å
140	T	90.3	Very high	87.3	Confident	81 Å²	81	63.1 Å²	63.1	50%	0.497	33%	0.334	S	S	.	.	H	α-helix	trans	-62.5	-42	178.5	-54.9	0	0	0	0	110.3	R136 G137 L142 L143 V144	R136-T140 WeakPolarHBondContact O-CB 3.48Å; R136-T140 PolarHBondContact O-N 3.37Å; R136-T140 PolarHBondContact O-OG1 2.99Å; G137-T140 PolarHBondContact O-N 3.5Å; T140-L142 VanDerWaalsContact C-N 3.34Å; T140-L142 PolarHBondContact O-N 3.13Å; T140-L143 PolarHBondContact O-N 2.73Å; T140-V144 HydrophobicContact CG2-CG2 4.45Å; T140-V144 WeakPolarHBondContact O-CG2 3.5Å; T140-V144 PolarHBondContact O-N 3.46Å
141	D	91.4	Very high	88.2	Confident	8 Å²	8	62.1 Å²	62.1	4%	0.043	33%	0.325	C	S	.	.	H	α-helix	trans	-61.5	-42.6	178.2	-165.5	-10.8	0	0	0	112.1	R28 Y116 Y124 Y131 G137 I139 L143 V144 T145 I220	R28-D141 IonicContact CZ-OD1 3.83Å; R28-D141 IonicContact NH2-OD1 2.92Å; R28-D141 PolarHBondContact NH2-OD1 3.24Å; R28-D141 IonicContact NH2-OD2 2.75Å; Y116-D141 WeakPolarHBondContact OH-CA 3.18Å; Y116-D141 VanDerWaalsContact OH-CG 3.3Å; Y116-D141 PolarHBondContact OH-OD1 2.58Å; Y124-D141 PolarHBondContact OH-OD2 3.27Å; Y131-D141 HydrophobicContact CE2-CB 4.36Å; Y131-D141 PolarHBondContact OH-OD2 3.02Å; G137-D141 WeakPolarHBondContact O-CB 3.46Å; G137-D141 PolarHBondContact O-N 3.27Å; I139-D141 VanDerWaalsContact C-N 3.28Å; I139-D141 PolarHBondContact O-N 3.38Å; D141-L143 PolarHBondContact O-N 3.24Å; D141-V144 PolarHBondContact O-N 2.6Å; D141-T145 WeakPolarHBondContact O-CB 3.44Å; D141-T145 PolarHBondContact O-N 3.46Å; D141-T145 PolarHBondContact O-OG1 3.48Å; D141-T145 PolarHBondContact OD1-OG1 3.31Å; D141-T145 VanDerWaalsContact OD1-OG1 3.11Å; D141-I220 HydrophobicContact CB-CG2 4.2Å
142	L	92.4	Very high	89.4	Confident	30 Å²	30	61 Å²	61	16%	0.157	32%	0.321	C	S	.	.	H	α-helix	trans	-60.7	-45.7	175.2	-176.7	61.5	0	0	0	111.6	P138 I139 T140 T145 A146 C217 I220 Y221 T224	P138-L142 WeakPolarHBondContact O-CB 3.48Å; P138-L142 PolarHBondContact O-N 3.26Å; I139-L142 PolarHBondContact O-N 2.91Å; T140-L142 VanDerWaalsContact C-N 3.34Å; T140-L142 PolarHBondContact O-N 3.13Å; L142-T145 PolarHBondContact O-N 2.95Å; L142-A146 VanDerWaalsContact O-CB 3.24Å; L142-A146 WeakPolarHBondContact O-CB 3.47Å; L142-A146 PolarHBondContact O-N 3.45Å; L142-C217 HydrophobicContact CD1-CB 4.04Å; L142-C217 VanDerWaalsContact CD1-O 3.3Å; L142-C217 WeakPolarHBondContact CD1-O 3.33Å; L142-I220 HydrophobicContact CB-CG2 3.77Å; L142-I220 HydrophobicContact CD1-CB 4.22Å; L142-I220 HydrophobicContact CD1-CG2 4.31Å; L142-Y221 HydrophobicContact CD2-CD2 4.11Å; L142-T224 HydrophobicContact CB-CG2 4.41Å; L142-T224 HydrophobicContact CD2-CG2 3.96Å
143	L	94.6	Very high	90.6	Very high	113 Å²	113	58.2 Å²	58.2	59%	0.592	32%	0.315	S	S	*	.	H	α-helix	trans	-63.6	-45.1	-179.6	-70.6	174.2	0	0	0	112.1	I139 T140 D141 S147	I139-L143 HydrophobicContact CG2-CD1 4.39Å; I139-L143 WeakPolarHBondContact O-CG 3.3Å; I139-L143 PolarHBondContact O-N 2.9Å; I139-L143 VanDerWaalsContact O-N 3.08Å; T140-L143 PolarHBondContact O-N 2.73Å; D141-L143 PolarHBondContact O-N 3.24Å; L143-S147 WeakPolarHBondContact O-CB 3.45Å; L143-S147 PolarHBondContact O-N 2.87Å; L143-S147 PolarHBondContact O-OG 3.36Å
144	V	95.4	Very high	91.6	Very high	48 Å²	48	53.8 Å²	53.8	29%	0.291	30%	0.299	S	S	.	.	H	α-helix	trans	-68.6	-42.9	179	178.5	0	0	0	0	110.6	Y116 T140 D141 A146 S147 L148	Y116-V144 HydrophobicContact CD1-CG1 4.43Å; Y116-V144 HydrophobicContact CD2-CG1 3.55Å; Y116-V144 HydrophobicContact CE1-CG1 4.19Å; Y116-V144 HydrophobicContact CE2-CB 3.79Å; Y116-V144 HydrophobicContact CE2-CG1 3.29Å; Y116-V144 HydrophobicContact CE2-CG2 4.31Å; Y116-V144 HydrophobicContact CG-CG1 4.1Å; T140-V144 HydrophobicContact CG2-CG2 4.45Å; T140-V144 WeakPolarHBondContact O-CG2 3.5Å; T140-V144 PolarHBondContact O-N 3.46Å; D141-V144 PolarHBondContact O-N 2.6Å; V144-A146 PolarHBondContact O-N 3.48Å; V144-S147 PolarHBondContact O-N 3.47Å; V144-L148 HydrophobicContact CG1-CD1 3.87Å; V144-L148 WeakPolarHBondContact O-CB 3.09Å; V144-L148 PolarHBondContact O-N 3.42Å
145	T	95.1	Very high	92.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.6	-43.5	177.8	-57.4	0	0	0	0	111.4	R28 D141 L142 L148 A149 W213 N216 I220	R28-T145 PolarHBondContact NH1-OG1 3.47Å; R28-T145 PolarHBondContact NH2-OG1 3.08Å; D141-T145 WeakPolarHBondContact O-CB 3.44Å; D141-T145 PolarHBondContact O-N 3.46Å; D141-T145 PolarHBondContact O-OG1 3.48Å; D141-T145 PolarHBondContact OD1-OG1 3.31Å; D141-T145 VanDerWaalsContact OD1-OG1 3.11Å; L142-T145 PolarHBondContact O-N 2.95Å; T145-L148 PolarHBondContact O-N 3.07Å; T145-A149 WeakPolarHBondContact O-CB 3.39Å; T145-A149 PolarHBondContact O-N 3.39Å; T145-W213 HydrophobicContact CG2-CE3 3.72Å; T145-W213 HydrophobicContact CG2-CZ3 4.27Å; T145-N216 HydrophobicContact CG2-CB 4.26Å; T145-I220 HydrophobicContact CG2-CD1 3.78Å; T145-I220 VanDerWaalsContact OG1-CD1 3.31Å; T145-I220 WeakPolarHBondContact OG1-CD1 3.19Å
146	A	96.1	Very high	93.7	Very high	45 Å²	45	48 Å²	48	37%	0.372	26%	0.26	S	S	.	.	H	α-helix	trans	-64.9	-40.9	176.2	0	0	0	0	0	112.3	L142 V144 A149 F150	L142-A146 VanDerWaalsContact O-CB 3.24Å; L142-A146 WeakPolarHBondContact O-CB 3.47Å; L142-A146 PolarHBondContact O-N 3.45Å; V144-A146 PolarHBondContact O-N 3.48Å; A146-A149 PolarHBondContact O-N 2.83Å; A146-F150 PolarHBondContact O-N 2.87Å
147	S	97.1	Very high	94.5	Very high	67 Å²	67	41.2 Å²	41.2	47%	0.469	24%	0.242	S	C	.	.	H	α-helix	trans	-63.1	-44.2	176.4	-58.2	0	0	0	0	111.4	L143 V144 F150 L151	L143-S147 WeakPolarHBondContact O-CB 3.45Å; L143-S147 PolarHBondContact O-N 2.87Å; L143-S147 PolarHBondContact O-OG 3.36Å; V144-S147 PolarHBondContact O-N 3.47Å; S147-F150 PolarHBondContact O-N 2.86Å; S147-L151 VanDerWaalsContact O-CG 3.3Å; S147-L151 WeakPolarHBondContact O-CG 3.39Å; S147-L151 PolarHBondContact O-N 2.93Å
148	L	96.6	Very high	95.1	Very high	13 Å²	13	41.6 Å²	41.6	7%	0.068	24%	0.243	C	C	.	.	H	α-helix	trans	-69.6	-33.9	177.6	-78.8	169.1	0	0	0	112.3	Y116 V144 T145 L151 W152 W213	Y116-L148 HydrophobicContact CD1-CD1 4.15Å; Y116-L148 HydrophobicContact CG-CD1 4.06Å; V144-L148 HydrophobicContact CG1-CD1 3.87Å; V144-L148 WeakPolarHBondContact O-CB 3.09Å; V144-L148 PolarHBondContact O-N 3.42Å; T145-L148 PolarHBondContact O-N 3.07Å; L148-L151 HydrophobicContact CD2-CD1 4.29Å; L148-L151 PolarHBondContact O-N 3Å; L148-W152 WeakPolarHBondContact O-CB 3.43Å; L148-W152 PolarHBondContact O-N 3.18Å; L148-W213 HydrophobicContact CB-CD2 4.14Å; L148-W213 HydrophobicContact CB-CE3 3.45Å; L148-W213 VanDerWaalsContact CB-CE3 3.45Å; L148-W213 HydrophobicContact CB-CH2 3.98Å; L148-W213 HydrophobicContact CB-CZ3 3.38Å; L148-W213 HydrophobicContact CD1-CE3 4.27Å; L148-W213 HydrophobicContact CD1-CH2 3.31Å; L148-W213 HydrophobicContact CD1-CZ2 4.32Å; L148-W213 HydrophobicContact CD1-CZ3 3.3Å; L148-W213 HydrophobicContact CG-CE3 4.48Å; L148-W213 HydrophobicContact CG-CH2 4.22Å; L148-W213 HydrophobicContact CG-CZ3 3.94Å
149	A	97.3	Very high	95.7	Very high	9 Å²	9	41.1 Å²	41.1	7%	0.074	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-47.7	170.7	0	0	0	0	0	111.2	T145 A146 L151 W152 L153 L210 W213	T145-A149 WeakPolarHBondContact O-CB 3.39Å; T145-A149 PolarHBondContact O-N 3.39Å; A146-A149 PolarHBondContact O-N 2.83Å; A149-L151 PolarHBondContact O-N 3.31Å; A149-W152 PolarHBondContact O-N 3.02Å; A149-L153 PolarHBondContact O-N 2.88Å; A149-L210 WeakPolarHBondContact O-CD1 3.46Å; A149-W213 HydrophobicContact CB-CB 3.82Å
150	F	97.5	Very high	96.1	Very high	131 Å²	131	40 Å²	40	58%	0.575	24%	0.238	S	C	*	.	H	α-helix	trans	-61.4	-44.3	175.5	175.5	-101.6	0	0	0	112.1	A146 S147 W152 L153 V154	A146-F150 PolarHBondContact O-N 2.87Å; S147-F150 PolarHBondContact O-N 2.86Å; F150-W152 VanDerWaalsContact C-N 3.33Å; F150-W152 PolarHBondContact O-N 3.3Å; F150-L153 WeakPolarHBondContact O-CB 3.29Å; F150-L153 PolarHBondContact O-N 3.31Å; F150-L153 VanDerWaalsContact O-N 3.16Å; F150-V154 HydrophobicContact CD1-CG2 4.32Å; F150-V154 HydrophobicContact CD2-CG2 4.37Å; F150-V154 HydrophobicContact CE1-CG2 3.82Å; F150-V154 HydrophobicContact CE2-CG2 3.88Å; F150-V154 HydrophobicContact CZ-CG2 3.58Å; F150-V154 WeakPolarHBondContact O-CG2 3.48Å; F150-V154 PolarHBondContact O-N 3.2Å
151	L	97.3	Very high	96.3	Very high	54 Å²	54	41.8 Å²	41.8	28%	0.283	24%	0.239	S	C	.	.	H	α-helix	trans	-63.7	-37.2	177.5	-70.6	168.7	0	0	0	112.1	F105 I109 S147 L148 A149 V154 S155	F105-L151 HydrophobicContact CZ-CD2 4.21Å; I109-L151 HydrophobicContact CD1-CB 3.94Å; I109-L151 HydrophobicContact CD1-CD1 3.96Å; I109-L151 HydrophobicContact CD1-CD2 4.14Å; I109-L151 HydrophobicContact CD1-CG 4.23Å; I109-L151 HydrophobicContact CG1-CB 4.19Å; I109-L151 HydrophobicContact CG2-CB 3.98Å; S147-L151 VanDerWaalsContact O-CG 3.3Å; S147-L151 WeakPolarHBondContact O-CG 3.39Å; S147-L151 PolarHBondContact O-N 2.93Å; L148-L151 HydrophobicContact CD2-CD1 4.29Å; L148-L151 PolarHBondContact O-N 3Å; A149-L151 PolarHBondContact O-N 3.31Å; L151-V154 PolarHBondContact O-N 3.19Å; L151-S155 WeakPolarHBondContact O-CB 3.3Å; L151-S155 PolarHBondContact O-N 3.37Å; L151-S155 PolarHBondContact O-OG 2.89Å
152	W	97.9	Very high	96.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-41.5	172	-88	116.4	0	0	0	112.1	A35 A38 Y106 I109 A113 L148 A149 F150 S155 S156 N209 L210 W213	A35-W152 HydrophobicContact CB-CZ2 4.19Å; A38-W152 HydrophobicContact CB-CH2 3.62Å; A38-W152 HydrophobicContact CB-CZ3 4Å; Y106-W152 HydrophobicContact CD2-CZ3 4.35Å; Y106-W152 HydrophobicContact CE2-CE3 4.07Å; Y106-W152 AromaticContact CE2-CZ3 3.54Å; Y106-W152 HydrophobicContact CE2-CZ3 3.54Å; Y106-W152 AromaticContact CZ-CZ3 3.81Å; I109-W152 HydrophobicContact CG2-CD2 4.23Å; I109-W152 HydrophobicContact CG2-CG 4.39Å; A113-W152 HydrophobicContact CB-CZ2 3.96Å; L148-W152 WeakPolarHBondContact O-CB 3.43Å; L148-W152 PolarHBondContact O-N 3.18Å; A149-W152 PolarHBondContact O-N 3.02Å; F150-W152 VanDerWaalsContact C-N 3.33Å; F150-W152 PolarHBondContact O-N 3.3Å; W152-S155 PolarHBondContact O-OG 3.19Å; W152-S156 WeakPolarHBondContact O-CB 3.47Å; W152-S156 PolarHBondContact O-N 2.91Å; W152-S156 PolarHBondContact O-OG 2.88Å; W152-N209 HydrophobicContact CD2-CB 3.57Å; W152-N209 HydrophobicContact CE3-CB 3.94Å; W152-N209 HydrophobicContact CG-CB 3.99Å; W152-N209 HydrophobicContact CH2-CB 4.23Å; W152-N209 HydrophobicContact CZ2-CB 3.86Å; W152-N209 HydrophobicContact CZ3-CB 4.25Å; W152-L210 HydrophobicContact CB-CB 4.21Å; W152-W213 AromaticContact CD1-CD1 3.73Å; W152-W213 AromaticContact CD1-CG 3.9Å; W152-W213 AromaticContact CD1-NE1 3.78Å; W152-W213 AromaticContact NE1-CD1 3.75Å; W152-W213 AromaticContact NE1-CE2 3.71Å; W152-W213 AromaticContact NE1-NE1 3.33Å
153	L	97.5	Very high	96.5	Very high	73 Å²	73	40.1 Å²	40.1	38%	0.382	23%	0.23	S	C	.	.	H	α-helix	trans	-60	-53.8	175.3	173.1	63.7	0	0	0	111.5	A149 F150 S157 L210	A149-L153 PolarHBondContact O-N 2.88Å; F150-L153 WeakPolarHBondContact O-CB 3.29Å; F150-L153 PolarHBondContact O-N 3.31Å; F150-L153 VanDerWaalsContact O-N 3.16Å; L153-S157 VanDerWaalsContact O-CB 3.31Å; L153-S157 WeakPolarHBondContact O-CB 3.38Å; L153-S157 PolarHBondContact O-N 3.26Å; L153-S157 PolarHBondContact O-OG 3.48Å; L153-L210 HydrophobicContact CB-CD1 3.76Å; L153-L210 HydrophobicContact CB-CD2 3.95Å; L153-L210 HydrophobicContact CB-CG 4.46Å; L153-L210 HydrophobicContact CD1-CD2 3.63Å; L153-L210 HydrophobicContact CG-CD2 4.36Å
154	V	97.9	Very high	96.5	Very high	59 Å²	59	38.2 Å²	38.2	36%	0.358	22%	0.223	S	C	.	.	H	α-helix	trans	-66	-47	-175.2	-179.3	0	0	0	0	110.6	F105 F150 L151 S157 A158	F105-V154 HydrophobicContact CE1-CB 4.48Å; F105-V154 HydrophobicContact CE1-CG1 4.05Å; F150-V154 HydrophobicContact CD1-CG2 4.32Å; F150-V154 HydrophobicContact CD2-CG2 4.37Å; F150-V154 HydrophobicContact CE1-CG2 3.82Å; F150-V154 HydrophobicContact CE2-CG2 3.88Å; F150-V154 HydrophobicContact CZ-CG2 3.58Å; F150-V154 WeakPolarHBondContact O-CG2 3.48Å; F150-V154 PolarHBondContact O-N 3.2Å; L151-V154 PolarHBondContact O-N 3.19Å; V154-S157 PolarHBondContact O-N 3.2Å; V154-A158 WeakPolarHBondContact O-CB 3.29Å; V154-A158 PolarHBondContact O-N 3.14Å
155	S	97.6	Very high	96.4	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-67.8	-41.5	-178.8	63.1	0	0	0	0	113	F105 L151 W152 S157 A158 W159	F105-S155 VanDerWaalsContact CE1-CA 3.48Å; F105-S155 VanDerWaalsContact CE1-CB 3.48Å; L151-S155 WeakPolarHBondContact O-CB 3.3Å; L151-S155 PolarHBondContact O-N 3.37Å; L151-S155 PolarHBondContact O-OG 2.89Å; W152-S155 PolarHBondContact O-OG 3.19Å; S155-S157 VanDerWaalsContact C-N 3.32Å; S155-S157 PolarHBondContact O-N 3.1Å; S155-A158 PolarHBondContact O-N 3.09Å; S155-W159 WeakPolarHBondContact O-CB 3.36Å; S155-W159 PolarHBondContact O-N 2.85Å
156	S	97.6	Very high	96.3	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.3	-37.9	177.1	-56.8	0	0	0	0	111.4	W152 W159 A160 G206	W152-S156 WeakPolarHBondContact O-CB 3.47Å; W152-S156 PolarHBondContact O-N 2.91Å; W152-S156 PolarHBondContact O-OG 2.88Å; S156-W159 PolarHBondContact O-N 3.26Å; S156-A160 VanDerWaalsContact O-CB 3.24Å; S156-A160 WeakPolarHBondContact O-CB 3.38Å; S156-A160 PolarHBondContact O-N 3.43Å; S156-G206 VanDerWaalsContact OG-CA 3.27Å; S156-G206 WeakPolarHBondContact OG-CA 3.26Å; S156-G206 PolarHBondContact OG-O 2.91Å
157	S	97.6	Very high	96.1	Very high	52 Å²	52	39.1 Å²	39.1	36%	0.364	22%	0.217	S	C	.	.	H	α-helix	trans	-66.8	-46.4	176.3	-57.5	0	0	0	0	111.6	L153 V154 S155 W159 A160 K161	L153-S157 VanDerWaalsContact O-CB 3.31Å; L153-S157 WeakPolarHBondContact O-CB 3.38Å; L153-S157 PolarHBondContact O-N 3.26Å; L153-S157 PolarHBondContact O-OG 3.48Å; V154-S157 PolarHBondContact O-N 3.2Å; S155-S157 VanDerWaalsContact C-N 3.32Å; S155-S157 PolarHBondContact O-N 3.1Å; S157-W159 VanDerWaalsContact C-N 3.31Å; S157-W159 PolarHBondContact O-N 2.98Å; S157-A160 PolarHBondContact O-N 2.78Å; S157-K161 PolarHBondContact O-N 3.29Å; S157-K161 VanDerWaalsContact O-N 3.09Å
158	A	96.8	Very high	95.8	Very high	33 Å²	33	39.4 Å²	39.4	27%	0.273	22%	0.216	S	C	.	.	H	α-helix	trans	-60.5	-41.7	176	0	0	0	0	0	111.6	V154 S155 G162	V154-A158 WeakPolarHBondContact O-CB 3.29Å; V154-A158 PolarHBondContact O-N 3.14Å; S155-A158 PolarHBondContact O-N 3.09Å; A158-G162 PolarHBondContact O-N 3.28Å
159	W	97.1	Very high	95.4	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-71.9	-37.7	177.5	-178	-131.7	0	0	0	113.1	T42 F71 A103 Y106 S155 S156 S157 K161 G162 L163 L199 S202 V203	T42-W159 HydrophobicContact CG2-CD2 4.46Å; T42-W159 HydrophobicContact CG2-CH2 4.37Å; T42-W159 HydrophobicContact CG2-CZ2 3.74Å; T42-W159 PolarHBondContact OG1-NE1 3.38Å; F71-W159 AromaticContact CD2-CH2 3.61Å; F71-W159 HydrophobicContact CD2-CH2 3.61Å; F71-W159 AromaticContact CD2-CZ3 3.95Å; F71-W159 HydrophobicContact CD2-CZ3 3.95Å; F71-W159 HydrophobicContact CE1-CH2 4.35Å; F71-W159 AromaticContact CE2-CH2 3.27Å; F71-W159 HydrophobicContact CE2-CH2 3.27Å; F71-W159 AromaticContact CE2-CZ2 3.89Å; F71-W159 HydrophobicContact CE2-CZ2 3.89Å; F71-W159 HydrophobicContact CE2-CZ3 4.02Å; F71-W159 HydrophobicContact CG-CH2 4.28Å; F71-W159 AromaticContact CZ-CH2 3.7Å; F71-W159 HydrophobicContact CZ-CH2 3.7Å; F71-W159 HydrophobicContact CZ-CZ2 4.12Å; A103-W159 HydrophobicContact CB-CE3 3.86Å; A103-W159 HydrophobicContact CB-CH2 4.24Å; A103-W159 HydrophobicContact CB-CZ3 3.63Å; Y106-W159 HydrophobicContact CD1-CB 4.42Å; Y106-W159 AromaticContact CD1-CD1 3.57Å; Y106-W159 HydrophobicContact CD1-CG 4.02Å; Y106-W159 HydrophobicContact CD2-CB 3.95Å; Y106-W159 HydrophobicContact CD2-CG 4.35Å; Y106-W159 AromaticContact CE1-CD1 3.72Å; Y106-W159 HydrophobicContact CG-CB 3.81Å; Y106-W159 AromaticContact CG-CD1 3.83Å; Y106-W159 AromaticContact CG-CG 3.9Å; Y106-W159 HydrophobicContact CG-CG 3.9Å; S155-W159 WeakPolarHBondContact O-CB 3.36Å; S155-W159 PolarHBondContact O-N 2.85Å; S156-W159 PolarHBondContact O-N 3.26Å; S157-W159 VanDerWaalsContact C-N 3.31Å; S157-W159 PolarHBondContact O-N 2.98Å; W159-K161 VanDerWaalsContact C-N 3.3Å; W159-K161 PolarHBondContact O-N 2.83Å; W159-G162 PolarHBondContact O-N 3.27Å; W159-L163 HydrophobicContact CH2-CB 4.41Å; W159-L163 HydrophobicContact CZ2-CB 4.25Å; W159-L163 HydrophobicContact CZ2-CD1 4.44Å; W159-L163 VanDerWaalsContact O-CB 3.32Å; W159-L163 WeakPolarHBondContact O-CB 3.27Å; W159-L163 PolarHBondContact O-N 3.47Å; W159-L199 HydrophobicContact CZ2-CD2 4.16Å; W159-S202 PolarHBondContact NE1-OG 3.08Å; W159-V203 HydrophobicContact CG-CG2 4.48Å
160	A	96.5	Very high	95	Very high	25 Å²	25	39.9 Å²	39.9	21%	0.207	22%	0.218	C	C	.	.	H	α-helix	trans	-59.1	-42.3	174.3	0	0	0	0	0	111.9	S156 S157 T164 V203 F207	S156-A160 VanDerWaalsContact O-CB 3.24Å; S156-A160 WeakPolarHBondContact O-CB 3.38Å; S156-A160 PolarHBondContact O-N 3.43Å; S157-A160 PolarHBondContact O-N 2.78Å; A160-T164 PolarHBondContact O-N 3.28Å; A160-T164 VanDerWaalsContact O-N 3.11Å; A160-T164 PolarHBondContact O-OG1 3.12Å; A160-V203 HydrophobicContact CB-CG1 3.75Å; A160-V203 HydrophobicContact CB-CG2 4.44Å; A160-F207 HydrophobicContact CB-CE2 4.31Å
161	K	95.6	Very high	94.5	Very high	117 Å²	117	35.2 Å²	35.2	51%	0.509	20%	0.202	S	C	.	.	H	α-helix	trans	-66.4	-48.2	173.4	-178.7	58.7	171.3	73.1	0	111.5	S157 W159 L163 T164 D165	S157-K161 PolarHBondContact O-N 3.29Å; S157-K161 VanDerWaalsContact O-N 3.09Å; W159-K161 VanDerWaalsContact C-N 3.3Å; W159-K161 PolarHBondContact O-N 2.83Å; K161-L163 VanDerWaalsContact C-N 3.31Å; K161-L163 PolarHBondContact O-N 3.34Å; K161-T164 WeakPolarHBondContact O-CB 3.37Å; K161-T164 PolarHBondContact O-N 2.96Å; K161-D165 IonicContact NZ-OD1 3.98Å; K161-D165 PolarHBondContact NZ-OD1 2.86Å; K161-D165 IonicContact NZ-OD2 3.87Å; K161-D165 PolarHBondContact NZ-OD2 2.59Å; K161-D165 PolarHBondContact O-N 3.45Å
162	G	94.4	Very high	94	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-57.6	-41.7	177.9	0	0	0	0	0	112.8	A158 W159 T164 D165 V166	A158-G162 PolarHBondContact O-N 3.28Å; W159-G162 PolarHBondContact O-N 3.27Å; G162-T164 VanDerWaalsContact C-N 3.35Å; G162-T164 PolarHBondContact O-N 3.3Å; G162-D165 PolarHBondContact O-N 2.47Å; G162-V166 WeakPolarHBondContact O-CG2 3.36Å; G162-V166 PolarHBondContact O-N 3.39Å
163	L	94.2	Very high	93.4	Very high	3 Å²	3	41 Å²	41	2%	0.016	23%	0.227	C	C	.	.	H	α-helix	trans	-64.5	-38.9	174.9	176.4	57.2	0	0	0	112.3	W159 K161 D165 V166 K167 M196 L199 V203	W159-L163 HydrophobicContact CH2-CB 4.41Å; W159-L163 HydrophobicContact CZ2-CB 4.25Å; W159-L163 HydrophobicContact CZ2-CD1 4.44Å; W159-L163 VanDerWaalsContact O-CB 3.32Å; W159-L163 WeakPolarHBondContact O-CB 3.27Å; W159-L163 PolarHBondContact O-N 3.47Å; K161-L163 VanDerWaalsContact C-N 3.31Å; K161-L163 PolarHBondContact O-N 3.34Å; L163-D165 VanDerWaalsContact C-N 3.3Å; L163-V166 PolarHBondContact O-N 3.32Å; L163-K167 HydrophobicContact CD1-CG 4.32Å; L163-K167 HydrophobicContact CG-CD 4.42Å; L163-K167 WeakPolarHBondContact O-CG 3.39Å; L163-K167 PolarHBondContact O-N 2.88Å; L163-M196 HydrophobicContact CD1-SD 4.46Å; L163-L199 HydrophobicContact CD1-CB 3.44Å; L163-L199 VanDerWaalsContact CD1-CB 3.44Å; L163-L199 HydrophobicContact CD1-CD1 3.55Å; L163-L199 HydrophobicContact CD1-CG 4.12Å; L163-L199 HydrophobicContact CD2-CB 3.85Å; L163-L199 WeakPolarHBondContact CD2-O 3.46Å; L163-L199 HydrophobicContact CG-CB 4.3Å; L163-V203 HydrophobicContact CB-CG2 4.48Å; L163-V203 HydrophobicContact CD2-CG2 3.64Å
164	T	94.6	Very high	92.9	Very high	72 Å²	72	39.1 Å²	39.1	44%	0.442	22%	0.219	S	C	.	.	H	α-helix	trans	-61.7	-44.6	175.8	-58.3	0	0	0	0	109.9	A160 K161 G162 K167 T168	A160-T164 PolarHBondContact O-N 3.28Å; A160-T164 VanDerWaalsContact O-N 3.11Å; A160-T164 PolarHBondContact O-OG1 3.12Å; K161-T164 WeakPolarHBondContact O-CB 3.37Å; K161-T164 PolarHBondContact O-N 2.96Å; G162-T164 VanDerWaalsContact C-N 3.35Å; G162-T164 PolarHBondContact O-N 3.3Å; T164-K167 PolarHBondContact O-N 3.47Å; T164-T168 PolarHBondContact O-N 2.99Å; T164-T168 PolarHBondContact O-OG1 3.22Å; T164-T168 VanDerWaalsContact O-OG1 3.12Å
165	D	92.6	Very high	92.3	Very high	43 Å²	43	36.3 Å²	36.3	23%	0.23	20%	0.202	C	C	.	.	H	α-helix	trans	-64.1	-45.3	177.6	-63.9	-23.6	0	0	0	111.7	H99 K161 G162 L163 K167 T168 V169	H99-D165 WeakPolarHBondContact CE1-CB 3.24Å; H99-D165 IonicContact CE1-OD2 3.74Å; H99-D165 WeakPolarHBondContact NE2-CB 3.32Å; K161-D165 IonicContact NZ-OD1 3.98Å; K161-D165 PolarHBondContact NZ-OD1 2.86Å; K161-D165 IonicContact NZ-OD2 3.87Å; K161-D165 PolarHBondContact NZ-OD2 2.59Å; K161-D165 PolarHBondContact O-N 3.45Å; G162-D165 PolarHBondContact O-N 2.47Å; L163-D165 VanDerWaalsContact C-N 3.3Å; D165-K167 VanDerWaalsContact C-N 3.33Å; D165-K167 PolarHBondContact O-N 2.97Å; D165-T168 WeakPolarHBondContact O-CB 3.31Å; D165-T168 PolarHBondContact O-N 3.28Å; D165-T168 VanDerWaalsContact O-N 3.1Å; D165-V169 WeakPolarHBondContact O-CG2 3.36Å; D165-V169 PolarHBondContact O-N 3.24Å
166	V	92.1	Very high	91.7	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-53.9	-48.7	173.3	170.7	0	0	0	0	110.6	F67 F71 H99 G162 L163 T168 V169 T170	F67-V166 HydrophobicContact CD2-CG1 4.39Å; F67-V166 HydrophobicContact CE2-CG1 4.04Å; F71-V166 HydrophobicContact CB-CG2 4.18Å; F71-V166 HydrophobicContact CD1-CG1 4.21Å; F71-V166 HydrophobicContact CD1-CG2 4.14Å; F71-V166 HydrophobicContact CG-CG2 4.26Å; H99-V166 HydrophobicContact CB-CG2 4.07Å; G162-V166 WeakPolarHBondContact O-CG2 3.36Å; G162-V166 PolarHBondContact O-N 3.39Å; L163-V166 PolarHBondContact O-N 3.32Å; V166-T168 VanDerWaalsContact C-N 3.32Å; V166-T168 PolarHBondContact O-N 3.04Å; V166-V169 VanDerWaalsContact O-CG2 3.31Å; V166-V169 WeakPolarHBondContact O-CG2 3.37Å; V166-V169 PolarHBondContact O-N 3.32Å; V166-T170 HydrophobicContact CG1-CG2 4.3Å; V166-T170 WeakPolarHBondContact O-CB 3.47Å; V166-T170 VanDerWaalsContact O-CG2 3.29Å; V166-T170 WeakPolarHBondContact O-CG2 3.3Å; V166-T170 PolarHBondContact O-N 3.25Å; V166-T170 PolarHBondContact O-OG1 3.47Å
167	K	92.3	Very high	91.1	Very high	70 Å²	70	48 Å²	48	30%	0.304	25%	0.248	S	C	.	.	H	α-helix	trans	-60.7	-41.7	178	-72.7	169.3	-177	168.3	0	112.4	L163 T164 D165 T170 S171 M196 N200	L163-K167 HydrophobicContact CD1-CG 4.32Å; L163-K167 HydrophobicContact CG-CD 4.42Å; L163-K167 WeakPolarHBondContact O-CG 3.39Å; L163-K167 PolarHBondContact O-N 2.88Å; T164-K167 PolarHBondContact O-N 3.47Å; D165-K167 VanDerWaalsContact C-N 3.33Å; D165-K167 PolarHBondContact O-N 2.97Å; K167-T170 CarbonylContact O-C 3.58Å; K167-T170 PolarHBondContact O-OG1 2.98Å; K167-S171 PolarHBondContact O-N 3.48Å; K167-S171 VanDerWaalsContact O-N 3.07Å; K167-M196 HydrophobicContact CG-CE 4.29Å; K167-M196 HydrophobicContact CG-CG 4.14Å; K167-M196 HydrophobicContact CG-SD 3.91Å; K167-N200 WeakPolarHBondContact CE-OD1 3.38Å; K167-N200 PolarHBondContact NZ-OD1 3.44Å
168	T	91.4	Very high	90.4	Very high	73 Å²	73	49.4 Å²	49.4	45%	0.448	25%	0.251	S	S	.	.	H	α-helix	trans	-63	-50.7	179	-63.3	0	0	0	0	110.5	T164 D165 V166 T170 S171 T174	T164-T168 PolarHBondContact O-N 2.99Å; T164-T168 PolarHBondContact O-OG1 3.22Å; T164-T168 VanDerWaalsContact O-OG1 3.12Å; D165-T168 WeakPolarHBondContact O-CB 3.31Å; D165-T168 PolarHBondContact O-N 3.28Å; D165-T168 VanDerWaalsContact O-N 3.1Å; V166-T168 VanDerWaalsContact C-N 3.32Å; V166-T168 PolarHBondContact O-N 3.04Å; T168-T170 VanDerWaalsContact C-N 3.33Å; T168-T170 PolarHBondContact O-N 2.89Å; T168-S171 VanDerWaalsContact O-CB 3.26Å; T168-S171 WeakPolarHBondContact O-CB 3.17Å; T168-S171 PolarHBondContact O-N 3.37Å; T168-S171 VanDerWaalsContact O-N 3.07Å; T168-S171 PolarHBondContact O-OG 3.17Å; T168-T174 VanDerWaalsContact O-CB 3.3Å; T168-T174 WeakPolarHBondContact O-CB 3.28Å; T168-T174 PolarHBondContact O-OG1 3.33Å
169	V	88.9	Confident	89.7	Confident	25 Å²	25	47.9 Å²	47.9	15%	0.152	24%	0.238	C	C	.	.	H	α-helix	trans	-71.4	-28	-178.1	-57.9	0	0	0	0	112.9	L73 S96 D165 V166 S171	L73-V169 HydrophobicContact CD1-CB 4.41Å; L73-V169 HydrophobicContact CD1-CG2 3.23Å; S96-V169 WeakPolarHBondContact O-CG1 3.4Å; D165-V169 WeakPolarHBondContact O-CG2 3.36Å; D165-V169 PolarHBondContact O-N 3.24Å; V166-V169 VanDerWaalsContact O-CG2 3.31Å; V166-V169 WeakPolarHBondContact O-CG2 3.37Å; V166-V169 PolarHBondContact O-N 3.32Å; V169-S171 VanDerWaalsContact C-N 3.28Å; V169-S171 PolarHBondContact O-N 3.37Å
170	T	88.3	Confident	88.8	Confident	6 Å²	6	50.4 Å²	50.4	4%	0.037	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	12.8	171.3	69.3	0	0	0	0	113.3	I49 F67 L95 V166 K167 T168 M196	I49-T170 WeakPolarHBondContact CD1-O 3.47Å; F67-T170 HydrophobicContact CD1-CG2 3.97Å; F67-T170 HydrophobicContact CD2-CG2 4.41Å; F67-T170 HydrophobicContact CE1-CG2 3.72Å; F67-T170 HydrophobicContact CE2-CG2 4.16Å; F67-T170 HydrophobicContact CG-CG2 4.31Å; F67-T170 HydrophobicContact CZ-CG2 3.82Å; L95-T170 HydrophobicContact CD1-CG2 4.38Å; V166-T170 HydrophobicContact CG1-CG2 4.3Å; V166-T170 WeakPolarHBondContact O-CB 3.47Å; V166-T170 VanDerWaalsContact O-CG2 3.29Å; V166-T170 WeakPolarHBondContact O-CG2 3.3Å; V166-T170 PolarHBondContact O-N 3.25Å; V166-T170 PolarHBondContact O-OG1 3.47Å; K167-T170 CarbonylContact O-C 3.58Å; K167-T170 PolarHBondContact O-OG1 2.98Å; T168-T170 VanDerWaalsContact C-N 3.33Å; T168-T170 PolarHBondContact O-N 2.89Å; T170-M196 WeakPolarHBondContact OG1-CE 3.18Å
171	S	87.3	Confident	87.8	Confident	34 Å²	34	57.3 Å²	57.3	24%	0.238	28%	0.28	C	S	.	.	S	Bend	trans	-82.1	144.7	173.8	69.7	0	0	0	0	110.5	K167 T168 V169 E173 T174 I175	K167-S171 PolarHBondContact O-N 3.48Å; K167-S171 VanDerWaalsContact O-N 3.07Å; T168-S171 VanDerWaalsContact O-CB 3.26Å; T168-S171 WeakPolarHBondContact O-CB 3.17Å; T168-S171 PolarHBondContact O-N 3.37Å; T168-S171 VanDerWaalsContact O-N 3.07Å; T168-S171 PolarHBondContact O-OG 3.17Å; V169-S171 VanDerWaalsContact C-N 3.28Å; V169-S171 PolarHBondContact O-N 3.37Å; S171-E173 PolarHBondContact O-N 3.11Å; S171-T174 PolarHBondContact O-N 2.76Å; S171-T174 VanDerWaalsContact O-N 3.15Å; S171-T174 PolarHBondContact OG-N 2.94Å; S171-T174 PolarHBondContact OG-OG1 2.89Å; S171-T174 VanDerWaalsContact OG-OG1 3.07Å; S171-I175 PolarHBondContact O-N 3.2Å; S171-I175 VanDerWaalsContact O-N 3.08Å
172	F	86.1	Confident	86.8	Confident	55 Å²	55	52.5 Å²	52.5	24%	0.241	26%	0.26	C	S	.	.	H	α-helix	trans	-57.9	-34.4	175.2	-179.7	-103	0	0	0	112	F51 T174 I175 F176 C188 P190	F51-F172 HydrophobicContact CB-CD2 4.15Å; F51-F172 HydrophobicContact CB-CE2 3.97Å; F172-T174 PolarHBondContact O-N 3.36Å; F172-I175 PolarHBondContact O-N 2.75Å; F172-F176 HydrophobicContact CE1-CB 4.48Å; F172-F176 HydrophobicContact CZ-CD2 4.45Å; F172-F176 VanDerWaalsContact O-CB 3.24Å; F172-F176 WeakPolarHBondContact O-CB 3.36Å; F172-F176 PolarHBondContact O-N 2.66Å; F172-C188 HydrophobicContact CZ-CB 4.46Å; F172-P190 HydrophobicContact CB-CB 4.38Å; F172-P190 HydrophobicContact CD1-CB 4.11Å; F172-P190 HydrophobicContact CD2-CB 3.93Å; F172-P190 HydrophobicContact CE1-CB 4.4Å; F172-P190 HydrophobicContact CE2-CB 4.23Å; F172-P190 HydrophobicContact CG-CB 3.86Å; F172-P190 HydrophobicContact CZ-CB 4.46Å
173	E	86.3	Confident	86.1	Confident	119 Å²	119	52.9 Å²	52.9	56%	0.556	26%	0.263	S	S	*	.	H	α-helix	trans	-61.6	-43.4	177.2	-171.6	-176.9	168.4	0	0	112.2	S171 F176 R177	S171-E173 PolarHBondContact O-N 3.11Å; E173-F176 PolarHBondContact O-N 3.49Å; E173-R177 WeakPolarHBondContact O-CG 3.38Å; E173-R177 PolarHBondContact O-N 3.42Å; E173-R177 IonicContact OE1-CZ 3.7Å; E173-R177 IonicContact OE1-NE 3.51Å; E173-R177 IonicContact OE1-NH2 2.61Å; E173-R177 PolarHBondContact OE1-NH2 3.18Å
174	T	86.2	Confident	85.3	Confident	34 Å²	34	59.9 Å²	59.9	21%	0.209	29%	0.293	C	S	.	.	H	α-helix	trans	-71.5	-39.8	179.3	-60	0	0	0	0	111.4	T168 S171 F172 F176 R177 L178	T168-T174 VanDerWaalsContact O-CB 3.3Å; T168-T174 WeakPolarHBondContact O-CB 3.28Å; T168-T174 PolarHBondContact O-OG1 3.33Å; S171-T174 PolarHBondContact O-N 2.76Å; S171-T174 VanDerWaalsContact O-N 3.15Å; S171-T174 PolarHBondContact OG-N 2.94Å; S171-T174 PolarHBondContact OG-OG1 2.89Å; S171-T174 VanDerWaalsContact OG-OG1 3.07Å; F172-T174 PolarHBondContact O-N 3.36Å; T174-F176 VanDerWaalsContact C-N 3.32Å; T174-F176 PolarHBondContact O-N 2.71Å; T174-R177 PolarHBondContact O-N 2.85Å; T174-L178 HydrophobicContact CG2-CD1 4.39Å; T174-L178 WeakPolarHBondContact O-CG 3.3Å; T174-L178 PolarHBondContact O-N 3.21Å
175	I	85	Confident	84.2	Confident	1 Å²	1	63 Å²	63	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-61.8	-42.6	173.6	-66.6	174.8	0	0	0	110.7	I49 F51 L95 S171 F172 R177 L178 L179	I49-I175 HydrophobicContact CD1-CD1 3.61Å; I49-I175 HydrophobicContact CG1-CD1 4.12Å; I49-I175 HydrophobicContact CG2-CD1 3.82Å; F51-I175 HydrophobicContact CD1-CD1 4.45Å; F51-I175 HydrophobicContact CD1-CG2 4.11Å; F51-I175 HydrophobicContact CE1-CG2 4.02Å; F51-I175 HydrophobicContact CE2-CG2 4.49Å; F51-I175 HydrophobicContact CG-CG2 4.42Å; F51-I175 HydrophobicContact CZ-CG2 4.22Å; L95-I175 HydrophobicContact CD2-CD1 4.25Å; L95-I175 HydrophobicContact CD2-CG1 4.23Å; S171-I175 PolarHBondContact O-N 3.2Å; S171-I175 VanDerWaalsContact O-N 3.08Å; F172-I175 PolarHBondContact O-N 2.75Å; I175-R177 VanDerWaalsContact C-N 3.33Å; I175-R177 PolarHBondContact O-N 2.9Å; I175-L178 WeakPolarHBondContact O-CB 3.41Å; I175-L178 PolarHBondContact O-N 3.17Å; I175-L179 HydrophobicContact CG2-CD1 3.73Å; I175-L179 HydrophobicContact CG2-CG 4.34Å; I175-L179 WeakPolarHBondContact O-CB 3.45Å; I175-L179 WeakPolarHBondContact O-CG 3.41Å; I175-L179 PolarHBondContact O-N 3.4Å
176	F	85.2	Confident	83.7	Confident	76 Å²	76	62 Å²	62	33%	0.333	30%	0.297	S	S	.	.	H	α-helix	trans	-60.8	-42.3	176.5	-178.5	-92.8	0	0	0	111.6	F172 E173 T174 L178 L179 D180 C183 C188	F172-F176 HydrophobicContact CE1-CB 4.48Å; F172-F176 HydrophobicContact CZ-CD2 4.45Å; F172-F176 VanDerWaalsContact O-CB 3.24Å; F172-F176 WeakPolarHBondContact O-CB 3.36Å; F172-F176 PolarHBondContact O-N 2.66Å; E173-F176 PolarHBondContact O-N 3.49Å; T174-F176 VanDerWaalsContact C-N 3.32Å; T174-F176 PolarHBondContact O-N 2.71Å; F176-L178 PolarHBondContact O-N 3.44Å; F176-L179 CarbonylContact O-C 3.6Å; F176-L179 PolarHBondContact O-N 3.16Å; F176-D180 PolarHBondContact O-N 3.03Å; F176-C183 HydrophobicContact CD2-CB 3.9Å; F176-C183 HydrophobicContact CE2-CB 3.52Å; F176-C183 HydrophobicContact CZ-CB 4.25Å; F176-C188 HydrophobicContact CD2-CB 4.38Å
177	R	85.4	Confident	83.3	Confident	170 Å²	170	66.2 Å²	66.2	64%	0.642	32%	0.323	S	S	*	.	H	α-helix	trans	-63.5	-38.2	174.5	-70.5	177	-171.7	-164.2	4.5	112.6	E173 T174 I175 L179 D180	E173-R177 WeakPolarHBondContact O-CG 3.38Å; E173-R177 PolarHBondContact O-N 3.42Å; E173-R177 IonicContact OE1-CZ 3.7Å; E173-R177 IonicContact OE1-NE 3.51Å; E173-R177 IonicContact OE1-NH2 2.61Å; E173-R177 PolarHBondContact OE1-NH2 3.18Å; T174-R177 PolarHBondContact O-N 2.85Å; I175-R177 VanDerWaalsContact C-N 3.33Å; I175-R177 PolarHBondContact O-N 2.9Å; R177-L179 VanDerWaalsContact C-N 3.3Å; R177-D180 WeakPolarHBondContact O-CB 3.5Å
178	L	82.5	Confident	82.9	Confident	80 Å²	80	63.8 Å²	63.8	42%	0.419	31%	0.314	S	S	.	.	H	α-helix	trans	-67.1	-33.3	174.8	-74.6	164.7	0	0	0	112.2	T174 I175 F176	T174-L178 HydrophobicContact CG2-CD1 4.39Å; T174-L178 WeakPolarHBondContact O-CG 3.3Å; T174-L178 PolarHBondContact O-N 3.21Å; I175-L178 WeakPolarHBondContact O-CB 3.41Å; I175-L178 PolarHBondContact O-N 3.17Å; F176-L178 PolarHBondContact O-N 3.44Å
179	L	81	Confident	82.7	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.005	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	17.2	-178.9	-62.1	177.7	0	0	0	113.3	F51 V80 Y93 I175 F176 R177 Q181 V182 C183	F51-L179 HydrophobicContact CD2-CD1 4.2Å; F51-L179 HydrophobicContact CE2-CD1 3.42Å; F51-L179 VanDerWaalsContact CE2-CD1 3.42Å; F51-L179 HydrophobicContact CZ-CD1 3.79Å; V80-L179 HydrophobicContact CG1-CD2 4.45Å; V80-L179 HydrophobicContact CG2-CD2 4.13Å; Y93-L179 HydrophobicContact CD1-CD2 3.83Å; Y93-L179 HydrophobicContact CD2-CD2 4.08Å; Y93-L179 HydrophobicContact CE1-CD2 3.71Å; Y93-L179 HydrophobicContact CE2-CD2 3.96Å; Y93-L179 HydrophobicContact CG-CD2 4.01Å; I175-L179 HydrophobicContact CG2-CD1 3.73Å; I175-L179 HydrophobicContact CG2-CG 4.34Å; I175-L179 WeakPolarHBondContact O-CB 3.45Å; I175-L179 WeakPolarHBondContact O-CG 3.41Å; I175-L179 PolarHBondContact O-N 3.4Å; F176-L179 CarbonylContact O-C 3.6Å; F176-L179 PolarHBondContact O-N 3.16Å; R177-L179 VanDerWaalsContact C-N 3.3Å; L179-Q181 PolarHBondContact O-N 3.2Å; L179-Q181 VanDerWaalsContact O-N 3.09Å; L179-V182 PolarHBondContact O-N 2.84Å; L179-C183 PolarHBondContact O-N 2.94Å
180	D	79.8	Confident	82.6	Confident	53 Å²	53	65.9 Å²	65.9	28%	0.283	33%	0.329	S	S	.	.	H	α-helix	trans	-53.9	-36.2	-175	-177.1	58.1	0	0	0	112.2	F176 R177 V182 K184	F176-D180 PolarHBondContact O-N 3.03Å; R177-D180 WeakPolarHBondContact O-CB 3.5Å; D180-V182 VanDerWaalsContact C-N 3.35Å; D180-V182 PolarHBondContact O-N 2.97Å; D180-K184 VanDerWaalsContact O-CB 3.24Å; D180-K184 WeakPolarHBondContact O-CB 3.48Å; D180-K184 VanDerWaalsContact O-CG 3.22Å; D180-K184 WeakPolarHBondContact O-CG 3.38Å; D180-K184 PolarHBondContact O-N 3.43Å; D180-K184 VanDerWaalsContact OD1-CE 3.24Å; D180-K184 WeakPolarHBondContact OD1-CE 3.46Å; D180-K184 IonicContact OD1-NZ 3.73Å; D180-K184 WeakPolarHBondContact OD2-CE 3.44Å; D180-K184 IonicContact OD2-NZ 3.7Å; D180-K184 PolarHBondContact OD2-NZ 2.77Å
181	Q	74.2	Confident	82.6	Confident	171 Å²	171	66.9 Å²	66.9	80%	0.799	34%	0.341	S	S	*	.	H	α-helix	trans	-63.5	-35.6	175.4	-67.7	-176.4	-26.6	0	0	113.5	L179	L179-Q181 PolarHBondContact O-N 3.2Å; L179-Q181 VanDerWaalsContact O-N 3.09Å
182	V	76.3	Confident	82.5	Confident	15 Å²	15	68 Å²	68	9%	0.091	35%	0.351	C	S	.	.	H	α-helix	trans	-86	-40	-179.4	-179.1	0	0	0	0	110.8	I53 V80 L179 D180 N186	I53-V182 HydrophobicContact CG2-CG1 4.36Å; V80-V182 HydrophobicContact CG1-CG1 4.44Å; L179-V182 PolarHBondContact O-N 2.84Å; D180-V182 VanDerWaalsContact C-N 3.35Å; D180-V182 PolarHBondContact O-N 2.97Å; V182-N186 WeakPolarHBondContact O-CB 3.21Å; V182-N186 PolarHBondContact O-ND2 3.21Å
183	C	77.7	Confident	82.5	Confident	10 Å²	10	70.8 Å²	70.8	7%	0.068	37%	0.373	C	S	.	.	H	α-helix	trans	-87	-9.4	-173.3	-63.8	0	0	0	0	114.5	F176 L179 N186 C188	F176-C183 HydrophobicContact CD2-CB 3.9Å; F176-C183 HydrophobicContact CE2-CB 3.52Å; F176-C183 HydrophobicContact CZ-CB 4.25Å; L179-C183 PolarHBondContact O-N 2.94Å; C183-N186 CarbonylContact C-O 3.51Å; C183-C188 VanDerWaalsContact CA-SG 3.55Å; C183-C188 HydrophobicContact CB-CB 3.81Å; C183-C188 WeakPolarHBondContact CB-SG 3.29Å; C183-C188 WeakPolarHBondContact SG-CB 3.44Å; C183-C188 CovalentContact SG-SG 2.03Å; C183-C188 PolarHBondContact SG-SG 2.79Å
184	K	77.8	Confident	82.5	Confident	149 Å²	149	66 Å²	66	65%	0.648	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-39.5	172.4	-93.9	172.4	169	161.6	0	113	D180	D180-K184 VanDerWaalsContact O-CB 3.24Å; D180-K184 WeakPolarHBondContact O-CB 3.48Å; D180-K184 VanDerWaalsContact O-CG 3.22Å; D180-K184 WeakPolarHBondContact O-CG 3.38Å; D180-K184 PolarHBondContact O-N 3.43Å; D180-K184 VanDerWaalsContact OD1-CE 3.24Å; D180-K184 WeakPolarHBondContact OD1-CE 3.46Å; D180-K184 IonicContact OD1-NZ 3.73Å; D180-K184 WeakPolarHBondContact OD2-CE 3.44Å; D180-K184 IonicContact OD2-NZ 3.7Å; D180-K184 PolarHBondContact OD2-NZ 2.77Å
185	E	73.2	Confident	82.6	Confident	138 Å²	138	68.8 Å²	68.8	65%	0.645	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-10	-177.5	-61.4	-165.8	174.9	0	0	113.6	K56	K56-E185 WeakPolarHBondContact CE-O 2.9Å
186	N	80.2	Confident	82.8	Confident	22 Å²	22	70 Å²	70	12%	0.118	38%	0.379	C	S	.	.	S	Bend	trans	-128.8	160.5	-174.3	-59.3	-63.3	0	0	0	111.7	K54 C55 K56 C83 V182 C183 C188	K54-N186 WeakPolarHBondContact O-CB 3.44Å; C55-N186 VanDerWaalsContact CA-OD1 3.28Å; C55-N186 WeakPolarHBondContact CA-OD1 3.03Å; K56-N186 PolarHBondContact N-OD1 2.82Å; K56-N186 VanDerWaalsContact N-OD1 3.07Å; C83-N186 WeakPolarHBondContact CB-ND2 3.42Å; C83-N186 VanDerWaalsContact SG-CG 3.54Å; C83-N186 PolarHBondContact SG-ND2 3.24Å; V182-N186 WeakPolarHBondContact O-CB 3.21Å; V182-N186 PolarHBondContact O-ND2 3.21Å; C183-N186 CarbonylContact C-O 3.51Å; N186-C188 PolarHBondContact O-N 2.85Å
187	T	83.6	Confident	83.1	Confident	88 Å²	88	68.1 Å²	68.1	54%	0.54	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	113.9	-179.5	-51.3	0	0	0	0	110.5	K54 T189	K54-T187 PolarHBondContact N-O 2.91Å; K54-T187 PolarHBondContact O-N 3.34Å; K54-T187 VanDerWaalsContact O-N 3.09Å; T187-T189 HydrophobicContact CG2-CG2 4.15Å
188	C	85.7	Confident	83.4	Confident	19 Å²	19	66.1 Å²	66.1	13%	0.128	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125	173.7	-64.9	0	0	0	0	110.3	N52 F172 F176 C183 N186	N52-C188 CarbonylContact O-C 3.4Å; N52-C188 WeakPolarHBondContact O-CA 3.43Å; F172-C188 HydrophobicContact CZ-CB 4.46Å; F176-C188 HydrophobicContact CD2-CB 4.38Å; C183-C188 VanDerWaalsContact CA-SG 3.55Å; C183-C188 HydrophobicContact CB-CB 3.81Å; C183-C188 WeakPolarHBondContact CB-SG 3.29Å; C183-C188 WeakPolarHBondContact SG-CB 3.44Å; C183-C188 CovalentContact SG-SG 2.03Å; C183-C188 PolarHBondContact SG-SG 2.79Å; N186-C188 PolarHBondContact O-N 2.85Å
189	T	86.4	Confident	84	Confident	62 Å²	62	62.3 Å²	62.3	38%	0.38	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	144.6	179	61.4	0	0	0	0	111.9	N52 T187	N52-T189 PolarHBondContact N-O 3.22Å; N52-T189 PolarHBondContact O-N 2.69Å; T187-T189 HydrophobicContact CG2-CG2 4.15Å
190	P	86.8	Confident	84.7	Confident	80 Å²	80	65.1 Å²	65.1	52%	0.519	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	138.1	175.4	26.7	-33.3	0	0	0	110.2	F172	F172-P190 HydrophobicContact CB-CB 4.38Å; F172-P190 HydrophobicContact CD1-CB 4.11Å; F172-P190 HydrophobicContact CD2-CB 3.93Å; F172-P190 HydrophobicContact CE1-CB 4.4Å; F172-P190 HydrophobicContact CE2-CB 4.23Å; F172-P190 HydrophobicContact CG-CB 3.86Å; F172-P190 HydrophobicContact CZ-CB 4.46Å
191	G	87.3	Confident	85.4	Confident	28 Å²	28	65 Å²	65	29%	0.289	38%	0.375	S	S	.	.			trans	-106	-142.2	173.3	0	0	0	0	0	111.6	S50 V193	S50-G191 CarbonylContact O-C 3.12Å; S50-G191 WeakPolarHBondContact O-CA 3.16Å; S50-G191 PolarHBondContact O-N 3.44Å; G191-V193 PolarHBondContact O-N 3.21Å
192	A	86.3	Confident	86.4	Confident	56 Å²	56	56.8 Å²	56.8	46%	0.463	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-64	130.7	174.4	0	0	0	0	0	111.8	S50	S50-A192 PolarHBondContact N-O 3.37Å
193	V	86.6	Confident	87.4	Confident	114 Å²	114	57 Å²	57	69%	0.691	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-96.7	145.9	175.8	-66.7	0	0	0	0	110.9	G191 S195	G191-V193 PolarHBondContact O-N 3.21Å; V193-S195 PolarHBondContact O-N 3.02Å
194	P	85.7	Confident	88.3	Confident	18 Å²	18	61.3 Å²	61.3	12%	0.117	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-67.4	135.4	179.4	26.9	-34.7	0	0	0	111.2	F67 M196	F67-P194 HydrophobicContact CE1-CB 3.92Å; F67-P194 HydrophobicContact CE1-CG 4.1Å; F67-P194 HydrophobicContact CZ-CB 3.58Å; F67-P194 HydrophobicContact CZ-CG 3.84Å; P194-M196 HydrophobicContact CB-CE 3.88Å; P194-M196 HydrophobicContact CG-CE 3.47Å; P194-M196 VanDerWaalsContact CG-CE 3.47Å; P194-M196 PolarHBondContact O-N 3.49Å; P194-M196 VanDerWaalsContact O-N 3.09Å
195	S	87.7	Confident	89.2	Confident	94 Å²	94	56.2 Å²	56.2	66%	0.657	34%	0.338	S	S	*	.			trans	-70.5	106.8	172.9	179	0	0	0	0	109.9	Y45 V193 G197	Y45-S195 WeakPolarHBondContact CE2-O 3.36Å; Y45-S195 PolarHBondContact OH-O 3.45Å; V193-S195 PolarHBondContact O-N 3.02Å; S195-G197 VanDerWaalsContact C-N 3.32Å
196	M	89.9	Confident	90.3	Very high	27 Å²	27	49.7 Å²	49.7	13%	0.133	31%	0.307	C	S	.	.			trans	-87.5	0.2	-179.1	-68.5	-69	171.6	0	0	113.4	F67 L163 K167 T170 P194 K198 L199 N200	F67-M196 HydrophobicContact CE2-CE 4.08Å; F67-M196 HydrophobicContact CZ-CE 3.71Å; L163-M196 HydrophobicContact CD1-SD 4.46Å; K167-M196 HydrophobicContact CG-CE 4.29Å; K167-M196 HydrophobicContact CG-CG 4.14Å; K167-M196 HydrophobicContact CG-SD 3.91Å; T170-M196 WeakPolarHBondContact OG1-CE 3.18Å; P194-M196 HydrophobicContact CB-CE 3.88Å; P194-M196 HydrophobicContact CG-CE 3.47Å; P194-M196 VanDerWaalsContact CG-CE 3.47Å; P194-M196 PolarHBondContact O-N 3.49Å; P194-M196 VanDerWaalsContact O-N 3.09Å; M196-K198 PolarHBondContact O-N 3.33Å; M196-L199 PolarHBondContact O-N 2.9Å; M196-L199 HydrophobicContact SD-CD1 3.95Å; M196-N200 VanDerWaalsContact O-CG 3.25Å; M196-N200 PolarHBondContact O-N 3.07Å; M196-N200 PolarHBondContact O-ND2 3.47Å
197	G	91.3	Very high	91.2	Very high	36 Å²	36	52.1 Å²	52.1	37%	0.371	32%	0.317	S	S	.	.	H	α-helix	trans	-56.8	-48.1	-175	0	0	0	0	0	113	S195 L199 N200 S201	S195-G197 VanDerWaalsContact C-N 3.32Å; G197-L199 VanDerWaalsContact C-N 3.33Å; G197-L199 PolarHBondContact O-N 3.05Å; G197-N200 PolarHBondContact O-N 3.32Å; G197-S201 WeakPolarHBondContact O-CB 3.43Å; G197-S201 PolarHBondContact O-N 3.04Å; G197-S201 PolarHBondContact O-OG 3.32Å; G197-S201 VanDerWaalsContact O-OG 3.1Å
198	K	92.1	Very high	91.8	Very high	127 Å²	127	51.1 Å²	51.1	55%	0.552	31%	0.308	S	S	*	.	H	α-helix	trans	-57.8	-43.7	178	-70.2	-178.1	177.6	-179.5	0	112.2	Y45 M196 S201 S202	Y45-K198 HydrophobicContact CD2-CB 3.93Å; Y45-K198 HydrophobicContact CD2-CD 4.31Å; Y45-K198 HydrophobicContact CE2-CB 4.27Å; M196-K198 PolarHBondContact O-N 3.33Å; K198-S201 PolarHBondContact O-N 3.1Å; K198-S202 PolarHBondContact O-N 3.5Å
199	L	93.9	Very high	92.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-71.6	-37.8	180	-57.2	-174.4	0	0	0	112.1	Y45 F71 W159 L163 M196 G197 S202 V203	Y45-L199 HydrophobicContact CD1-CD1 3.88Å; Y45-L199 HydrophobicContact CD1-CD2 4Å; Y45-L199 HydrophobicContact CD1-CG 4.14Å; Y45-L199 HydrophobicContact CD2-CD1 4.23Å; Y45-L199 HydrophobicContact CD2-CD2 3.56Å; Y45-L199 HydrophobicContact CD2-CG 3.64Å; Y45-L199 HydrophobicContact CE1-CD1 3.75Å; Y45-L199 HydrophobicContact CE1-CG 4.24Å; Y45-L199 HydrophobicContact CE2-CD1 4.11Å; Y45-L199 HydrophobicContact CE2-CD2 4.2Å; Y45-L199 HydrophobicContact CE2-CG 3.74Å; Y45-L199 HydrophobicContact CG-CD1 4.1Å; Y45-L199 HydrophobicContact CG-CD2 3.43Å; Y45-L199 VanDerWaalsContact CG-CD2 3.43Å; Y45-L199 HydrophobicContact CG-CG 3.83Å; F71-L199 HydrophobicContact CE1-CD1 3.82Å; F71-L199 HydrophobicContact CE1-CD2 4.49Å; F71-L199 HydrophobicContact CZ-CD1 3.93Å; F71-L199 HydrophobicContact CZ-CD2 3.81Å; W159-L199 HydrophobicContact CZ2-CD2 4.16Å; L163-L199 HydrophobicContact CD1-CB 3.44Å; L163-L199 VanDerWaalsContact CD1-CB 3.44Å; L163-L199 HydrophobicContact CD1-CD1 3.55Å; L163-L199 HydrophobicContact CD1-CG 4.12Å; L163-L199 HydrophobicContact CD2-CB 3.85Å; L163-L199 WeakPolarHBondContact CD2-O 3.46Å; L163-L199 HydrophobicContact CG-CB 4.3Å; M196-L199 PolarHBondContact O-N 2.9Å; M196-L199 HydrophobicContact SD-CD1 3.95Å; G197-L199 VanDerWaalsContact C-N 3.33Å; G197-L199 PolarHBondContact O-N 3.05Å; L199-S202 WeakPolarHBondContact O-CB 3.41Å; L199-S202 PolarHBondContact O-N 3.4Å; L199-S202 PolarHBondContact O-OG 3.07Å; L199-V203 PolarHBondContact O-N 3.14Å
200	N	95.6	Very high	92.8	Very high	61 Å²	61	49.1 Å²	49.1	33%	0.326	29%	0.293	S	S	.	.	H	α-helix	trans	-61.2	-47	172.9	-68.7	-27.7	0	0	0	111.4	K167 M196 G197 S202 V203 I204	K167-N200 WeakPolarHBondContact CE-OD1 3.38Å; K167-N200 PolarHBondContact NZ-OD1 3.44Å; M196-N200 VanDerWaalsContact O-CG 3.25Å; M196-N200 PolarHBondContact O-N 3.07Å; M196-N200 PolarHBondContact O-ND2 3.47Å; G197-N200 PolarHBondContact O-N 3.32Å; N200-S202 PolarHBondContact O-N 3.2Å; N200-V203 PolarHBondContact O-N 3.2Å; N200-I204 WeakPolarHBondContact O-CG1 3.43Å; N200-I204 PolarHBondContact O-N 3.4Å
201	S	95	Very high	93.3	Very high	49 Å²	49	51 Å²	51	34%	0.343	30%	0.298	S	S	.	.	H	α-helix	trans	-58.5	-39.7	174.7	-62.7	0	0	0	0	111.4	G197 K198 V203 I204 F205	G197-S201 WeakPolarHBondContact O-CB 3.43Å; G197-S201 PolarHBondContact O-N 3.04Å; G197-S201 PolarHBondContact O-OG 3.32Å; G197-S201 VanDerWaalsContact O-OG 3.1Å; K198-S201 PolarHBondContact O-N 3.1Å; S201-V203 VanDerWaalsContact C-N 3.33Å; S201-V203 PolarHBondContact O-N 3.42Å; S201-I204 PolarHBondContact O-N 3.2Å; S201-F205 WeakPolarHBondContact O-CD2 3.48Å; S201-F205 PolarHBondContact O-N 3.27Å
202	S	95.9	Very high	93.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-56.2	-46.5	178	81.4	0	0	0	0	112.1	T41 T42 Y106 W159 K198 L199 N200 I204 F205 G206	T41-S202 WeakPolarHBondContact OG1-CA 3.39Å; T41-S202 WeakPolarHBondContact OG1-CB 3.46Å; T42-S202 WeakPolarHBondContact OG1-CB 3.45Å; T42-S202 PolarHBondContact OG1-OG 3.27Å; T42-S202 VanDerWaalsContact OG1-OG 3.1Å; Y106-S202 PolarHBondContact OH-O 3.38Å; W159-S202 PolarHBondContact NE1-OG 3.08Å; K198-S202 PolarHBondContact O-N 3.5Å; L199-S202 WeakPolarHBondContact O-CB 3.41Å; L199-S202 PolarHBondContact O-N 3.4Å; L199-S202 PolarHBondContact O-OG 3.07Å; N200-S202 PolarHBondContact O-N 3.2Å; S202-I204 PolarHBondContact O-N 3.06Å; S202-F205 PolarHBondContact O-N 2.92Å; S202-G206 PolarHBondContact O-N 3.26Å
203	V	96.3	Very high	94.1	Very high	20 Å²	20	48.5 Å²	48.5	12%	0.121	27%	0.27	C	S	.	.	H	α-helix	trans	-65.2	-40.7	179.5	174.4	0	0	0	0	111.2	W159 A160 L163 L199 N200 S201 G206 F207	W159-V203 HydrophobicContact CG-CG2 4.48Å; A160-V203 HydrophobicContact CB-CG1 3.75Å; A160-V203 HydrophobicContact CB-CG2 4.44Å; L163-V203 HydrophobicContact CB-CG2 4.48Å; L163-V203 HydrophobicContact CD2-CG2 3.64Å; L199-V203 PolarHBondContact O-N 3.14Å; N200-V203 PolarHBondContact O-N 3.2Å; S201-V203 VanDerWaalsContact C-N 3.33Å; S201-V203 PolarHBondContact O-N 3.42Å; V203-G206 PolarHBondContact O-N 3.37Å; V203-F207 HydrophobicContact CG1-CD2 3.85Å; V203-F207 HydrophobicContact CG1-CE2 3.61Å; V203-F207 VanDerWaalsContact O-CD2 3.3Å; V203-F207 WeakPolarHBondContact O-CD2 3.41Å; V203-F207 PolarHBondContact O-N 3.02Å; V203-F207 VanDerWaalsContact O-N 3.14Å
204	I	97.1	Very high	94.5	Very high	99 Å²	99	44.9 Å²	44.9	51%	0.508	26%	0.255	S	S	.	.	H	α-helix	trans	-60	-48.5	175.7	-64.9	166.9	0	0	0	110.2	N200 S201 S202 G206 F207 L208	N200-I204 WeakPolarHBondContact O-CG1 3.43Å; N200-I204 PolarHBondContact O-N 3.4Å; S201-I204 PolarHBondContact O-N 3.2Å; S202-I204 PolarHBondContact O-N 3.06Å; I204-G206 PolarHBondContact O-N 3.3Å; I204-F207 PolarHBondContact O-N 3.28Å; I204-L208 HydrophobicContact CG2-CD1 3.9Å; I204-L208 HydrophobicContact CG2-CG 4.24Å; I204-L208 WeakPolarHBondContact O-CG 3.27Å; I204-L208 PolarHBondContact O-N 3.05Å
205	F	96.9	Very high	94.8	Very high	43 Å²	43	45.6 Å²	45.6	19%	0.189	27%	0.266	C	S	.	.	H	α-helix	trans	-62.2	-31.2	177.3	-75.5	-63.1	0	0	0	112.8	F34 F37 A38 S201 S202 L208 N209	F34-F205 HydrophobicContact CB-CD1 4.23Å; F34-F205 HydrophobicContact CD1-CD1 4.24Å; F34-F205 HydrophobicContact CD1-CE1 4.11Å; F34-F205 HydrophobicContact CE1-CE1 4.38Å; F34-F205 HydrophobicContact CG-CD1 4.08Å; F34-F205 HydrophobicContact CG-CE1 4.4Å; F37-F205 HydrophobicContact CB-CD1 4.02Å; F37-F205 HydrophobicContact CB-CD2 3.65Å; F37-F205 HydrophobicContact CB-CE1 4.03Å; F37-F205 HydrophobicContact CB-CE2 3.66Å; F37-F205 HydrophobicContact CB-CG 3.85Å; F37-F205 HydrophobicContact CB-CZ 3.85Å; F37-F205 HydrophobicContact CD2-CE1 4.13Å; F37-F205 HydrophobicContact CD2-CZ 4.14Å; F37-F205 HydrophobicContact CG-CE1 4.29Å; F37-F205 HydrophobicContact CG-CE2 4.15Å; F37-F205 AromaticContact CG-CZ 3.98Å; F37-F205 HydrophobicContact CG-CZ 3.98Å; A38-F205 HydrophobicContact CB-CB 3.96Å; S201-F205 WeakPolarHBondContact O-CD2 3.48Å; S201-F205 PolarHBondContact O-N 3.27Å; S202-F205 PolarHBondContact O-N 2.92Å; F205-L208 HydrophobicContact CD1-CD1 4.24Å; F205-N209 WeakPolarHBondContact O-CB 3.49Å; F205-N209 PolarHBondContact O-N 2.88Å; F205-N209 PolarHBondContact O-ND2 3.14Å
206	G	96.6	Very high	95.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.8	-48.2	174	0	0	0	0	0	112.9	Y106 S156 S202 V203 I204 N209 L210	Y106-G206 WeakPolarHBondContact OH-CA 3.25Å; Y106-G206 PolarHBondContact OH-N 3.11Å; Y106-G206 VanDerWaalsContact OH-N 3.09Å; S156-G206 VanDerWaalsContact OG-CA 3.27Å; S156-G206 WeakPolarHBondContact OG-CA 3.26Å; S156-G206 PolarHBondContact OG-O 2.91Å; S202-G206 PolarHBondContact O-N 3.26Å; V203-G206 PolarHBondContact O-N 3.37Å; I204-G206 PolarHBondContact O-N 3.3Å; G206-N209 WeakPolarHBondContact O-CB 3.4Å; G206-N209 PolarHBondContact O-N 3.41Å; G206-L210 PolarHBondContact O-N 3.05Å
207	F	97.7	Very high	95.2	Very high	74 Å²	74	40.9 Å²	40.9	33%	0.325	24%	0.236	S	C	.	.	H	α-helix	trans	-70.2	-32.9	176.1	-72.2	-65.8	0	0	0	113.1	A160 V203 I204 N209 L210 I211	A160-F207 HydrophobicContact CB-CE2 4.31Å; V203-F207 HydrophobicContact CG1-CD2 3.85Å; V203-F207 HydrophobicContact CG1-CE2 3.61Å; V203-F207 VanDerWaalsContact O-CD2 3.3Å; V203-F207 WeakPolarHBondContact O-CD2 3.41Å; V203-F207 PolarHBondContact O-N 3.02Å; V203-F207 VanDerWaalsContact O-N 3.14Å; I204-F207 PolarHBondContact O-N 3.28Å; F207-N209 VanDerWaalsContact C-N 3.34Å; F207-L210 HydrophobicContact CD1-CD2 4.25Å; F207-L210 WeakPolarHBondContact O-CB 3.34Å; F207-L210 PolarHBondContact O-N 3.42Å; F207-I211 WeakPolarHBondContact O-CG1 3.25Å; F207-I211 PolarHBondContact O-N 2.91Å; F207-I211 VanDerWaalsContact O-N 3.09Å
208	L	97.3	Very high	95.1	Very high	66 Å²	66	46.1 Å²	46.1	35%	0.346	24%	0.244	S	C	.	.	H	α-helix	trans	-63.8	-41.1	171.7	-72	175.3	0	0	0	111.3	F34 I204 F205 I211 L212	F34-L208 HydrophobicContact CD2-CB 4Å; F34-L208 HydrophobicContact CD2-CD1 4.47Å; F34-L208 HydrophobicContact CE2-CB 4.29Å; F34-L208 HydrophobicContact CE2-CD1 4.23Å; I204-L208 HydrophobicContact CG2-CD1 3.9Å; I204-L208 HydrophobicContact CG2-CG 4.24Å; I204-L208 WeakPolarHBondContact O-CG 3.27Å; I204-L208 PolarHBondContact O-N 3.05Å; F205-L208 HydrophobicContact CD1-CD1 4.24Å; L208-I211 PolarHBondContact O-N 2.85Å; L208-L212 WeakPolarHBondContact O-CG 3.38Å; L208-L212 PolarHBondContact O-N 3.39Å
209	N	96.2	Very high	95	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.1	-47.3	171.4	-86.2	-70.5	0	0	0	110.9	E31 F34 A35 W152 F205 G206 F207 I211 L212 W213	E31-N209 PolarHBondContact O-OD1 2.94Å; F34-N209 WeakPolarHBondContact CB-ND2 3.46Å; F34-N209 PolarHBondContact O-ND2 3.44Å; A35-N209 PolarHBondContact N-ND2 3.19Å; W152-N209 HydrophobicContact CD2-CB 3.57Å; W152-N209 HydrophobicContact CE3-CB 3.94Å; W152-N209 HydrophobicContact CG-CB 3.99Å; W152-N209 HydrophobicContact CH2-CB 4.23Å; W152-N209 HydrophobicContact CZ2-CB 3.86Å; W152-N209 HydrophobicContact CZ3-CB 4.25Å; F205-N209 WeakPolarHBondContact O-CB 3.49Å; F205-N209 PolarHBondContact O-N 2.88Å; F205-N209 PolarHBondContact O-ND2 3.14Å; G206-N209 WeakPolarHBondContact O-CB 3.4Å; G206-N209 PolarHBondContact O-N 3.41Å; F207-N209 VanDerWaalsContact C-N 3.34Å; N209-I211 PolarHBondContact O-N 3.2Å; N209-L212 PolarHBondContact O-N 3.49Å; N209-L212 VanDerWaalsContact O-N 3.07Å; N209-W213 WeakPolarHBondContact O-CB 3.26Å; N209-W213 PolarHBondContact O-N 3.16Å; N209-W213 PolarHBondContact OD1-NE1 2.95Å
210	L	97.1	Very high	94.7	Very high	40 Å²	40	43.1 Å²	43.1	21%	0.209	23%	0.231	C	C	.	.	H	α-helix	trans	-50	-47	175.3	169.9	63.5	0	0	0	112.5	A149 W152 L153 G206 F207 G214	A149-L210 WeakPolarHBondContact O-CD1 3.46Å; W152-L210 HydrophobicContact CB-CB 4.21Å; L153-L210 HydrophobicContact CB-CD1 3.76Å; L153-L210 HydrophobicContact CB-CD2 3.95Å; L153-L210 HydrophobicContact CB-CG 4.46Å; L153-L210 HydrophobicContact CD1-CD2 3.63Å; L153-L210 HydrophobicContact CG-CD2 4.36Å; G206-L210 PolarHBondContact O-N 3.05Å; F207-L210 HydrophobicContact CD1-CD2 4.25Å; F207-L210 WeakPolarHBondContact O-CB 3.34Å; F207-L210 PolarHBondContact O-N 3.42Å; L210-G214 PolarHBondContact O-N 3.34Å
211	I	96.3	Very high	94.3	Very high	119 Å²	119	43.7 Å²	43.7	61%	0.61	23%	0.229	S	C	*	.	H	α-helix	trans	-65	-44.7	179.5	-65.5	166.8	0	0	0	111.1	F207 L208 N209 G215	F207-I211 WeakPolarHBondContact O-CG1 3.25Å; F207-I211 PolarHBondContact O-N 2.91Å; F207-I211 VanDerWaalsContact O-N 3.09Å; L208-I211 PolarHBondContact O-N 2.85Å; N209-I211 PolarHBondContact O-N 3.2Å; I211-G215 PolarHBondContact O-N 3.24Å
212	L	95.3	Very high	93.8	Very high	32 Å²	32	44.9 Å²	44.9	17%	0.168	23%	0.228	C	C	.	.	H	α-helix	trans	-63	-51.1	179.1	-70.5	171.6	0	0	0	111.3	I27 L30 E31 F34 L208 N209 G214 G215 N216	I27-L212 HydrophobicContact CG2-CB 4.4Å; I27-L212 HydrophobicContact CG2-CD2 4.3Å; L30-L212 HydrophobicContact CB-CD1 4Å; L30-L212 HydrophobicContact CB-CD2 4.42Å; L30-L212 HydrophobicContact CD1-CD2 4.38Å; E31-L212 HydrophobicContact CG-CB 3.72Å; E31-L212 HydrophobicContact CG-CD1 4.37Å; F34-L212 HydrophobicContact CD2-CD1 3.39Å; F34-L212 HydrophobicContact CE2-CD1 3.78Å; F34-L212 HydrophobicContact CG-CD1 4.25Å; L208-L212 WeakPolarHBondContact O-CG 3.38Å; L208-L212 PolarHBondContact O-N 3.39Å; N209-L212 PolarHBondContact O-N 3.49Å; N209-L212 VanDerWaalsContact O-N 3.07Å; L212-G214 VanDerWaalsContact C-N 3.35Å; L212-G214 PolarHBondContact O-N 3.13Å; L212-G215 CarbonylContact O-C 3.6Å; L212-G215 PolarHBondContact O-N 3.41Å; L212-N216 VanDerWaalsContact O-CB 3.28Å; L212-N216 WeakPolarHBondContact O-CB 3.48Å; L212-N216 PolarHBondContact O-N 3.31Å
213	W	95.6	Very high	93.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.9	-41.2	-179.7	-75	74	0	0	0	111.7	E31 A113 Y116 C117 T145 L148 A149 W152 N209 N216 C217	E31-W213 HydrophobicContact CB-CZ2 4.4Å; E31-W213 HydrophobicContact CG-CG 4.29Å; E31-W213 WeakPolarHBondContact OE1-CA 3.31Å; A113-W213 HydrophobicContact CB-CH2 4.24Å; A113-W213 HydrophobicContact CB-CZ2 3.6Å; Y116-W213 AromaticContact CD1-CH2 3.55Å; Y116-W213 HydrophobicContact CD1-CH2 3.55Å; Y116-W213 AromaticContact CD1-CZ3 3.85Å; Y116-W213 HydrophobicContact CD1-CZ3 3.85Å; Y116-W213 HydrophobicContact CE1-CH2 4.21Å; Y116-W213 HydrophobicContact CE1-CZ3 4.08Å; Y116-W213 HydrophobicContact CG-CH2 4.38Å; C117-W213 WeakPolarHBondContact SG-CZ2 3.36Å; T145-W213 HydrophobicContact CG2-CE3 3.72Å; T145-W213 HydrophobicContact CG2-CZ3 4.27Å; L148-W213 HydrophobicContact CB-CD2 4.14Å; L148-W213 HydrophobicContact CB-CE3 3.45Å; L148-W213 VanDerWaalsContact CB-CE3 3.45Å; L148-W213 HydrophobicContact CB-CH2 3.98Å; L148-W213 HydrophobicContact CB-CZ3 3.38Å; L148-W213 HydrophobicContact CD1-CE3 4.27Å; L148-W213 HydrophobicContact CD1-CH2 3.31Å; L148-W213 HydrophobicContact CD1-CZ2 4.32Å; L148-W213 HydrophobicContact CD1-CZ3 3.3Å; L148-W213 HydrophobicContact CG-CE3 4.48Å; L148-W213 HydrophobicContact CG-CH2 4.22Å; L148-W213 HydrophobicContact CG-CZ3 3.94Å; A149-W213 HydrophobicContact CB-CB 3.82Å; W152-W213 AromaticContact CD1-CD1 3.73Å; W152-W213 AromaticContact CD1-CG 3.9Å; W152-W213 AromaticContact CD1-NE1 3.78Å; W152-W213 AromaticContact NE1-CD1 3.75Å; W152-W213 AromaticContact NE1-CE2 3.71Å; W152-W213 AromaticContact NE1-NE1 3.33Å; N209-W213 WeakPolarHBondContact O-CB 3.26Å; N209-W213 PolarHBondContact O-N 3.16Å; N209-W213 PolarHBondContact OD1-NE1 2.95Å; W213-N216 PolarHBondContact O-N 3.4Å; W213-C217 PolarHBondContact O-N 3.31Å; W213-C217 VanDerWaalsContact O-N 3.16Å; W213-C217 PolarHBondContact O-SG 3.13Å
214	G	94.4	Very high	92.6	Very high	37 Å²	37	47 Å²	47	38%	0.381	24%	0.237	S	C	.	.	H	α-helix	trans	-64.3	-43.9	173.6	0	0	0	0	0	112.7	L210 L212 N216 C217	L210-G214 PolarHBondContact O-N 3.34Å; L212-G214 VanDerWaalsContact C-N 3.35Å; L212-G214 PolarHBondContact O-N 3.13Å; G214-N216 VanDerWaalsContact C-N 3.35Å; G214-C217 WeakPolarHBondContact O-CB 3.3Å; G214-C217 PolarHBondContact O-N 3.48Å
215	G	92.5	Very high	91.6	Very high	34 Å²	34	44.2 Å²	44.2	35%	0.351	23%	0.226	S	C	.	.	H	α-helix	trans	-65.2	-37.4	175.5	0	0	0	0	0	112.7	I211 L212 C217 W218 F219	I211-G215 PolarHBondContact O-N 3.24Å; L212-G215 CarbonylContact O-C 3.6Å; L212-G215 PolarHBondContact O-N 3.41Å; G215-C217 VanDerWaalsContact C-N 3.31Å; G215-C217 PolarHBondContact O-N 2.93Å; G215-W218 WeakPolarHBondContact O-CB 3.03Å; G215-W218 PolarHBondContact O-N 3.24Å; G215-F219 WeakPolarHBondContact O-CD2 3.21Å
216	N	93.4	Very high	90.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.5	-33.7	179	-156.2	5.4	0	0	0	112	L24 I27 R28 E31 T145 L212 W213 G214 W218 F219 I220	L24-N216 WeakPolarHBondContact CD1-OD1 3.13Å; I27-N216 HydrophobicContact CG2-CB 3.77Å; R28-N216 PolarHBondContact NH1-ND2 2.78Å; E31-N216 WeakPolarHBondContact OE1-CB 3.43Å; E31-N216 PolarHBondContact OE1-ND2 3.46Å; E31-N216 PolarHBondContact OE2-ND2 3.25Å; T145-N216 HydrophobicContact CG2-CB 4.26Å; L212-N216 VanDerWaalsContact O-CB 3.28Å; L212-N216 WeakPolarHBondContact O-CB 3.48Å; L212-N216 PolarHBondContact O-N 3.31Å; W213-N216 PolarHBondContact O-N 3.4Å; G214-N216 VanDerWaalsContact C-N 3.35Å; N216-W218 PolarHBondContact O-N 3.08Å; N216-F219 PolarHBondContact O-N 3.27Å; N216-I220 WeakPolarHBondContact O-CG1 3.46Å; N216-I220 PolarHBondContact O-N 3.05Å
217	C	92.8	Very high	89.7	Confident	22 Å²	22	49.8 Å²	49.8	15%	0.149	25%	0.25	C	S	.	.	H	α-helix	trans	-53.1	-39	173.4	-68.9	0	0	0	0	112.2	L142 W213 G214 G215 Y221	L142-C217 HydrophobicContact CD1-CB 4.04Å; L142-C217 VanDerWaalsContact CD1-O 3.3Å; L142-C217 WeakPolarHBondContact CD1-O 3.33Å; W213-C217 PolarHBondContact O-N 3.31Å; W213-C217 VanDerWaalsContact O-N 3.16Å; W213-C217 PolarHBondContact O-SG 3.13Å; G214-C217 WeakPolarHBondContact O-CB 3.3Å; G214-C217 PolarHBondContact O-N 3.48Å; G215-C217 VanDerWaalsContact C-N 3.31Å; G215-C217 PolarHBondContact O-N 2.93Å; C217-Y221 WeakPolarHBondContact O-CB 3.29Å; C217-Y221 PolarHBondContact O-N 3.02Å
218	W	89.4	Confident	88.4	Confident	145 Å²	145	51.4 Å²	51.4	55%	0.549	26%	0.257	S	S	.	.	H	α-helix	trans	-64.7	-43.2	177.1	174.3	-111.4	0	0	0	112.5	G215 N216 Y221 K222	G215-W218 WeakPolarHBondContact O-CB 3.03Å; G215-W218 PolarHBondContact O-N 3.24Å; N216-W218 PolarHBondContact O-N 3.08Å; W218-Y221 HydrophobicContact CE3-CD1 4.36Å; W218-Y221 HydrophobicContact CZ3-CD1 4.33Å; W218-Y221 PolarHBondContact O-N 2.9Å; W218-K222 VanDerWaalsContact CE2-CE 3.43Å; W218-K222 PolarHBondContact O-N 3.02Å
219	F	88.7	Confident	86.7	Confident	64 Å²	64	53.7 Å²	53.7	28%	0.281	27%	0.274	S	S	.	.	H	α-helix	trans	-67.5	-42.4	178.6	-69.5	-76	0	0	0	111.7	P23 L24 I27 G215 N216 Y221 K222	P23-F219 HydrophobicContact CB-CD1 4.08Å; P23-F219 HydrophobicContact CB-CE1 3.88Å; P23-F219 HydrophobicContact CB-CZ 4.23Å; P23-F219 HydrophobicContact CG-CD1 3.89Å; P23-F219 HydrophobicContact CG-CE1 3.89Å; L24-F219 HydrophobicContact CD1-CB 4.28Å; I27-F219 HydrophobicContact CD1-CD2 3.51Å; I27-F219 HydrophobicContact CD1-CE2 3.47Å; I27-F219 VanDerWaalsContact CD1-CE2 3.47Å; I27-F219 HydrophobicContact CD1-CG 4.46Å; I27-F219 HydrophobicContact CD1-CZ 4.39Å; G215-F219 WeakPolarHBondContact O-CD2 3.21Å; N216-F219 PolarHBondContact O-N 3.27Å; F219-Y221 VanDerWaalsContact C-N 3.34Å; F219-Y221 PolarHBondContact O-N 2.91Å; F219-K222 PolarHBondContact O-N 3.02Å
220	I	88.1	Confident	84.9	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64.2	-41.2	175.3	-58.8	160.7	0	0	0	110.6	L24 P138 D141 L142 T145 N216 K222 E223 T224	L24-I220 HydrophobicContact CD1-CB 4.38Å; L24-I220 HydrophobicContact CD1-CD1 4.4Å; L24-I220 HydrophobicContact CD1-CG1 3.35Å; P138-I220 WeakPolarHBondContact O-CG2 3.41Å; D141-I220 HydrophobicContact CB-CG2 4.2Å; L142-I220 HydrophobicContact CB-CG2 3.77Å; L142-I220 HydrophobicContact CD1-CB 4.22Å; L142-I220 HydrophobicContact CD1-CG2 4.31Å; T145-I220 HydrophobicContact CG2-CD1 3.78Å; T145-I220 VanDerWaalsContact OG1-CD1 3.31Å; T145-I220 WeakPolarHBondContact OG1-CD1 3.19Å; N216-I220 WeakPolarHBondContact O-CG1 3.46Å; N216-I220 PolarHBondContact O-N 3.05Å; I220-K222 VanDerWaalsContact C-N 3.26Å; I220-K222 PolarHBondContact O-N 3.38Å; I220-E223 WeakPolarHBondContact O-CA 3.45Å; I220-E223 WeakPolarHBondContact O-CB 3.45Å; I220-E223 PolarHBondContact O-N 2.92Å; I220-T224 PolarHBondContact O-N 2.91Å
221	Y	87.6	Confident	82.8	Confident	73 Å²	73	63.8 Å²	63.8	29%	0.286	32%	0.324	S	S	.	.	H	α-helix	trans	-55.9	-40.3	179	173.4	-106.9	0	0	0	112.2	L142 C217 W218 F219 E223 T224 F226 H227	L142-Y221 HydrophobicContact CD2-CD2 4.11Å; C217-Y221 WeakPolarHBondContact O-CB 3.29Å; C217-Y221 PolarHBondContact O-N 3.02Å; W218-Y221 HydrophobicContact CE3-CD1 4.36Å; W218-Y221 HydrophobicContact CZ3-CD1 4.33Å; W218-Y221 PolarHBondContact O-N 2.9Å; F219-Y221 VanDerWaalsContact C-N 3.34Å; F219-Y221 PolarHBondContact O-N 2.91Å; Y221-E223 PolarHBondContact O-N 3.1Å; Y221-T224 WeakPolarHBondContact O-CB 3.34Å; Y221-T224 PolarHBondContact O-N 3.2Å; Y221-T224 PolarHBondContact O-OG1 2.93Å; Y221-F226 HydrophobicContact CE2-CB 3.93Å; Y221-H227 HydrophobicContact CD1-CB 4.34Å; Y221-H227 HydrophobicContact CE1-CB 3.99Å; Y221-H227 AromaticContact CE1-ND1 3.73Å; Y221-H227 WeakPolarHBondContact O-CB 3.19Å
222	K	85.3	Confident	80.5	Confident	75 Å²	75	63.3 Å²	63.3	33%	0.326	33%	0.329	S	S	.	.	H	α-helix	trans	-62.8	-27.7	175.8	-63.8	-173.9	-152.7	177	0	113.5	W218 F219 I220 T224	W218-K222 VanDerWaalsContact CE2-CE 3.43Å; W218-K222 PolarHBondContact O-N 3.02Å; F219-K222 PolarHBondContact O-N 3.02Å; I220-K222 VanDerWaalsContact C-N 3.26Å; I220-K222 PolarHBondContact O-N 3.38Å; K222-T224 VanDerWaalsContact C-N 3.33Å
223	E	81.9	Confident	78.3	Confident	63 Å²	63	66.6 Å²	66.6	29%	0.294	36%	0.361	S	S	.	.	H	α-helix	trans	-78.8	-19.5	176.5	-67	-55	148.8	0	0	113.3	P138 I220 Y221 K228	P138-E223 HydrophobicContact CB-CB 4.24Å; I220-E223 WeakPolarHBondContact O-CA 3.45Å; I220-E223 WeakPolarHBondContact O-CB 3.45Å; I220-E223 PolarHBondContact O-N 2.92Å; Y221-E223 PolarHBondContact O-N 3.1Å; E223-K228 PolarHBondContact O-NZ 3.1Å; E223-K228 IonicContact OE2-NZ 2.86Å; E223-K228 PolarHBondContact OE2-NZ 3.18Å
224	T	83.8	Confident	76.1	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	40%	0.397	C	S	.	.	S	Bend	trans	-72.8	152.1	178.7	71.2	0	0	0	0	112.6	P138 I139 L142 I220 Y221 K222 F226 H227 K228	P138-T224 HydrophobicContact CB-CG2 4.09Å; I139-T224 HydrophobicContact CG1-CG2 4.3Å; L142-T224 HydrophobicContact CB-CG2 4.41Å; L142-T224 HydrophobicContact CD2-CG2 3.96Å; I220-T224 PolarHBondContact O-N 2.91Å; Y221-T224 WeakPolarHBondContact O-CB 3.34Å; Y221-T224 PolarHBondContact O-N 3.2Å; Y221-T224 PolarHBondContact O-OG1 2.93Å; K222-T224 VanDerWaalsContact C-N 3.33Å; T224-F226 HydrophobicContact CG2-CD2 4.44Å; T224-F226 PolarHBondContact O-N 2.82Å; T224-F226 VanDerWaalsContact O-N 3.17Å; T224-F226 WeakPolarHBondContact OG1-CD2 3.4Å; T224-H227 PolarHBondContact O-N 3.25Å; T224-K228 PolarHBondContact O-N 3.43Å
225	P	76.4	Confident	73.9	Confident	42 Å²	42	79.7 Å²	79.7	27%	0.273	42%	0.421	S	S	.	.	H	α-helix	trans	-57	-28.9	173.6	-23	32.9	0	0	0	113.2	P135 I139 H227 K228 T229	P135-P225 HydrophobicContact CB-CG 3.49Å; P135-P225 VanDerWaalsContact CB-CG 3.49Å; I139-P225 HydrophobicContact CD1-CG 4.39Å; P225-H227 PolarHBondContact O-N 2.93Å; P225-K228 PolarHBondContact O-N 3.24Å; P225-T229 WeakPolarHBondContact O-CB 3.38Å; P225-T229 PolarHBondContact O-N 2.97Å; P225-T229 PolarHBondContact O-OG1 3.23Å; P225-T229 VanDerWaalsContact O-OG1 3.05Å
226	F	75.4	Confident	71.8	Confident	108 Å²	108	87.8 Å²	87.8	47%	0.474	45%	0.45	S	S	.	.	H	α-helix	trans	-57.4	-34.4	179.5	-52.5	-51.6	0	0	0	112.8	I139 Y221 T224 N230	I139-F226 HydrophobicContact CD1-CE2 4.19Å; I139-F226 HydrophobicContact CD1-CZ 4.03Å; I139-F226 HydrophobicContact CG1-CE2 3.92Å; I139-F226 HydrophobicContact CG1-CZ 4.26Å; I139-F226 HydrophobicContact CG2-CE2 4.34Å; Y221-F226 HydrophobicContact CE2-CB 3.93Å; T224-F226 HydrophobicContact CG2-CD2 4.44Å; T224-F226 PolarHBondContact O-N 2.82Å; T224-F226 VanDerWaalsContact O-N 3.17Å; T224-F226 WeakPolarHBondContact OG1-CD2 3.4Å; F226-N230 PolarHBondContact O-ND2 3.5Å
227	H	78	Confident	69.5	Low	51 Å²	51	92 Å²	92	24%	0.236	49%	0.493	C	S	.	.	H	α-helix	trans	-84.6	-42.6	175.4	-170.8	65.3	0	0	0	111.9	Y221 T224 P225 T229 N230 Q231	Y221-H227 HydrophobicContact CD1-CB 4.34Å; Y221-H227 HydrophobicContact CE1-CB 3.99Å; Y221-H227 AromaticContact CE1-ND1 3.73Å; Y221-H227 WeakPolarHBondContact O-CB 3.19Å; T224-H227 PolarHBondContact O-N 3.25Å; P225-H227 PolarHBondContact O-N 2.93Å; H227-T229 VanDerWaalsContact C-N 3.35Å; H227-T229 PolarHBondContact O-N 3.07Å; H227-N230 PolarHBondContact O-N 3.03Å; H227-N230 VanDerWaalsContact O-N 3.16Å; H227-Q231 PolarHBondContact O-N 2.96Å
228	K	71.1	Confident	66.8	Low	108 Å²	108	94.4 Å²	94.4	47%	0.47	52%	0.522	S	S	.	.	H	α-helix	trans	-65.6	-32.7	-176.7	-67.9	174.8	178	162.1	0	113.1	E223 T224 P225 N230	E223-K228 PolarHBondContact O-NZ 3.1Å; E223-K228 IonicContact OE2-NZ 2.86Å; E223-K228 PolarHBondContact OE2-NZ 3.18Å; T224-K228 PolarHBondContact O-N 3.43Å; P225-K228 PolarHBondContact O-N 3.24Å; K228-N230 VanDerWaalsContact C-N 3.33Å
229	T	61.1	Low	64.2	Low	115 Å²	115	96.4 Å²	96.4	71%	0.706	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-21.5	175.7	-56.9	0	0	0	0	113.2	P225 H227	P225-T229 WeakPolarHBondContact O-CB 3.38Å; P225-T229 PolarHBondContact O-N 2.97Å; P225-T229 PolarHBondContact O-OG1 3.23Å; P225-T229 VanDerWaalsContact O-OG1 3.05Å; H227-T229 VanDerWaalsContact C-N 3.35Å; H227-T229 PolarHBondContact O-N 3.07Å
230	N	58.5	Low	63	Low	123 Å²	123	98 Å²	98	66%	0.658	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	0.7	-179.7	-74.4	-38.6	0	0	0	113.5	F226 H227 K228	F226-N230 PolarHBondContact O-ND2 3.5Å; H227-N230 PolarHBondContact O-N 3.03Å; H227-N230 VanDerWaalsContact O-N 3.16Å; K228-N230 VanDerWaalsContact C-N 3.33Å
231	Q	53.5	Low	61.6	Low	128 Å²	128	103.2 Å²	103.2	60%	0.598	61%	0.614	S	S	*	*	S	Bend	trans	-75	123.4	164.5	-82.7	-179.3	-12.8	0	0	108.5	H227 A233	H227-Q231 PolarHBondContact O-N 2.96Å; Q231-A233 PolarHBondContact O-N 2.81Å
232	P	48.6	Very low	60.2	Low	109 Å²	109	104.8 Å²	104.8	71%	0.708	63%	0.632	S	S	*	*			trans	-57.3	130.1	169.9	4.1	0.5	0	0	0	107.9	N234	P232-N234 VanDerWaalsContact C-N 3.32Å; P232-N234 PolarHBondContact O-N 2.99Å
233	A	48.1	Very low	58.7	Low	101 Å²	101	106.6 Å²	106.6	84%	0.835	65%	0.65	S	S	*	*			trans	-55.8	97.9	169.1	0	0	0	0	0	108.7	Q231	Q231-A233 PolarHBondContact O-N 2.81Å
234	N	48.4	Very low	57.3	Low	143 Å²	143	109.3 Å²	109.3	77%	0.765	67%	0.673	S	S	*	*			trans	-152.3	101.1	168.4	-98.5	-22.5	0	0	0	107.6	P232	P232-N234 VanDerWaalsContact C-N 3.32Å; P232-N234 PolarHBondContact O-N 2.99Å
235	L	49.5	Very low	55.5	Low	170 Å²	170	116.6 Å²	116.6	89%	0.89	72%	0.717	S	S	*	*	S	Bend	trans	169.9	25.7	130.3	-86.5	168	0	0	0	114.3
236	E	48	Very low	54	Low	204 Å²	204	121.9 Å²	121.9	95%	0.953	75%	0.749	S	S	*	*	S	Bend	trans	-139.1	93.5	161.6	-76.2	-171.7	122.4	0	0	110.4
237	G	44.3	Very low	52.4	Low	87 Å²	87	123 Å²	123	90%	0.897	77%	0.77	S	S	*	*	S	Bend	trans	154.7	63.4	174.5	0	0	0	0	0	113.4
238	G	37.3	Very low	50.2	Low	74 Å²	74	129 Å²	129	76%	0.763	82%	0.815	S	S	*	*			trans	174.6	89.4	171.4	0	0	0	0	0	115.2
239	A	34.3	Very low	48.3	Very low	186 Å²	186	130.9 Å²	130.9	100%	1.537	85%	0.846	S	S	*	*			trans	71.6	0	166.3	0	0	0	0	0	118.2

Retrieved 239 of 239 residues in 139.2 ms (Link to these results)

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