A0A5K4F2E4_SCHMA Loading...

Signal peptide peptidase-like 2B

AlphaFold DB , UniProt , Accession A0A5K4F2E4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 575 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	41.2	Very low	38.7	Very low	209 Å²	209	111.3 Å²	111.3	100%	1.03	60%	0.599	S	S	*	*				0	-54.7	0	-130.3	176.8	156.1	0	0	113.4	V3 V4 L5	M1-V3 PolarHBondContact O-N 3.31Å; M1-V4 PolarHBondContact O-N 3.24Å; M1-L5 PolarHBondContact O-N 3.01Å; M1-L5 VanDerWaalsContact O-N 3.15Å
2	K	31.7	Very low	38.8	Very low	191 Å²	191	110.8 Å²	110.8	83%	0.83	59%	0.594	S	S	*	*	H	α-helix	trans	-61.4	-35.9	176.5	-71.3	-175.5	176.3	-178.9	0	114.8	L5 S6	K2-L5 PolarHBondContact O-N 3.4Å; K2-S6 PolarHBondContact O-N 3.22Å; K2-S6 VanDerWaalsContact O-N 3.11Å
3	V	37.4	Very low	38.4	Very low	113 Å²	113	115.3 Å²	115.3	69%	0.685	61%	0.605	S	S	*	*	H	α-helix	trans	-66.9	-40.7	176.2	179.4	0	0	0	0	111.8	M1 L5 S6 V7	M1-V3 PolarHBondContact O-N 3.31Å; V3-L5 VanDerWaalsContact C-N 3.33Å; V3-L5 PolarHBondContact O-N 3.2Å; V3-S6 PolarHBondContact O-N 3.46Å; V3-V7 WeakPolarHBondContact O-CG2 3.43Å; V3-V7 PolarHBondContact O-N 3.17Å; V3-V7 VanDerWaalsContact O-N 3.08Å
4	V	40	Very low	38.3	Very low	92 Å²	92	116 Å²	116	56%	0.558	61%	0.608	S	S	*	*	H	α-helix	trans	-62.3	-41.7	176	179.6	0	0	0	0	110.5	M1 V8	M1-V4 PolarHBondContact O-N 3.24Å; V4-V8 HydrophobicContact CG1-CG2 4.46Å; V4-V8 WeakPolarHBondContact O-CB 3.43Å; V4-V8 WeakPolarHBondContact O-CG2 3.26Å; V4-V8 PolarHBondContact O-N 3.17Å
5	L	40.9	Very low	38.4	Very low	121 Å²	121	114.5 Å²	114.5	63%	0.634	60%	0.596	S	S	*	*	H	α-helix	trans	-65.2	-40	177.8	-160.3	74.3	0	0	0	112.5	M1 K2 V3 V8 T9	M1-L5 PolarHBondContact O-N 3.01Å; M1-L5 VanDerWaalsContact O-N 3.15Å; K2-L5 PolarHBondContact O-N 3.4Å; V3-L5 VanDerWaalsContact C-N 3.33Å; V3-L5 PolarHBondContact O-N 3.2Å; L5-V8 PolarHBondContact O-N 3.46Å; L5-T9 PolarHBondContact O-N 3.08Å; L5-T9 PolarHBondContact O-OG1 3.12Å
6	S	37.7	Very low	38	Very low	82 Å²	82	118.1 Å²	118.1	57%	0.573	61%	0.609	S	S	*	*	H	α-helix	trans	-66.9	-43.7	178.8	-169.4	0	0	0	0	112.4	K2 V3 V8 T9 F10	K2-S6 PolarHBondContact O-N 3.22Å; K2-S6 VanDerWaalsContact O-N 3.11Å; V3-S6 PolarHBondContact O-N 3.46Å; S6-V8 PolarHBondContact O-N 2.88Å; S6-T9 PolarHBondContact O-N 3.09Å; S6-F10 PolarHBondContact O-N 3.01Å
7	V	40.1	Very low	37.5	Very low	84 Å²	84	114.9 Å²	114.9	51%	0.509	61%	0.612	S	S	.	*	H	α-helix	trans	-64	-42	175.9	176.4	0	0	0	0	110.7	V3 T9 F10 V11	V3-V7 WeakPolarHBondContact O-CG2 3.43Å; V3-V7 PolarHBondContact O-N 3.17Å; V3-V7 VanDerWaalsContact O-N 3.08Å; V7-T9 VanDerWaalsContact C-N 3.31Å; V7-T9 PolarHBondContact O-N 3.49Å; V7-F10 PolarHBondContact O-N 3.39Å; V7-V11 HydrophobicContact CG1-CG2 4.26Å; V7-V11 WeakPolarHBondContact O-CB 3.49Å; V7-V11 WeakPolarHBondContact O-CG2 3.3Å; V7-V11 PolarHBondContact O-N 3.23Å; V7-V11 VanDerWaalsContact O-N 3.07Å
8	V	41.6	Very low	37.1	Very low	72 Å²	72	119.3 Å²	119.3	44%	0.436	62%	0.62	S	S	.	*	H	α-helix	trans	-60.6	-40.2	175.3	170.1	0	0	0	0	111.4	V4 L5 S6 I12	V4-V8 HydrophobicContact CG1-CG2 4.46Å; V4-V8 WeakPolarHBondContact O-CB 3.43Å; V4-V8 WeakPolarHBondContact O-CG2 3.26Å; V4-V8 PolarHBondContact O-N 3.17Å; L5-V8 PolarHBondContact O-N 3.46Å; S6-V8 PolarHBondContact O-N 2.88Å; V8-I12 HydrophobicContact CG1-CD1 3.89Å; V8-I12 WeakPolarHBondContact O-CD1 3.4Å; V8-I12 WeakPolarHBondContact O-CG1 3.33Å; V8-I12 PolarHBondContact O-N 2.71Å
9	T	38.4	Very low	36.8	Very low	81 Å²	81	116.7 Å²	116.7	50%	0.497	62%	0.618	S	S	.	*	H	α-helix	trans	-71.3	-39.7	-178.2	-46.7	0	0	0	0	111.9	L5 S6 V7	L5-T9 PolarHBondContact O-N 3.08Å; L5-T9 PolarHBondContact O-OG1 3.12Å; S6-T9 PolarHBondContact O-N 3.09Å; V7-T9 VanDerWaalsContact C-N 3.31Å; V7-T9 PolarHBondContact O-N 3.49Å
10	F	35.6	Very low	36.8	Very low	150 Å²	150	115.5 Å²	115.5	66%	0.658	61%	0.611	S	S	*	*	H	α-helix	trans	-68.2	-37.1	178.3	-165.3	-99.3	0	0	0	112.3	S6 V7 F13 I14	S6-F10 PolarHBondContact O-N 3.01Å; V7-F10 PolarHBondContact O-N 3.39Å; F10-F13 PolarHBondContact O-N 3.27Å; F10-I14 HydrophobicContact CD1-CD1 4.29Å; F10-I14 HydrophobicContact CE1-CD1 3.9Å
11	V	40.9	Very low	37.1	Very low	29 Å²	29	116.1 Å²	116.1	18%	0.176	61%	0.609	C	S	.	*	H	α-helix	trans	-74.2	-31.6	-179.6	-179.2	0	0	0	0	111.8	V7 F13 I14 M163 F167	V7-V11 HydrophobicContact CG1-CG2 4.26Å; V7-V11 WeakPolarHBondContact O-CB 3.49Å; V7-V11 WeakPolarHBondContact O-CG2 3.3Å; V7-V11 PolarHBondContact O-N 3.23Å; V7-V11 VanDerWaalsContact O-N 3.07Å; V11-F13 PolarHBondContact O-N 3.01Å; V11-I14 PolarHBondContact O-N 3.1Å; V11-M163 HydrophobicContact CB-SD 4.29Å; V11-M163 HydrophobicContact CG1-CE 3.4Å; V11-M163 VanDerWaalsContact CG1-CE 3.4Å; V11-M163 HydrophobicContact CG1-SD 3.44Å; V11-M163 WeakPolarHBondContact CG1-SD 3.46Å; V11-F167 HydrophobicContact CG1-CE2 4.18Å; V11-F167 HydrophobicContact CG1-CZ 4.34Å
12	I	39.4	Very low	37.3	Very low	106 Å²	106	110.3 Å²	110.3	54%	0.544	59%	0.587	S	S	.	*	H	α-helix	trans	-59.7	-35.2	173.7	-71.8	164.3	0	0	0	111.5	V8 I14	V8-I12 HydrophobicContact CG1-CD1 3.89Å; V8-I12 WeakPolarHBondContact O-CD1 3.4Å; V8-I12 WeakPolarHBondContact O-CG1 3.33Å; V8-I12 PolarHBondContact O-N 2.71Å; I12-I14 VanDerWaalsContact C-N 3.35Å; I12-I14 PolarHBondContact O-N 3.38Å
13	F	34.3	Very low	38.1	Very low	169 Å²	169	102.4 Å²	102.4	74%	0.741	56%	0.556	S	S	*	*	H	α-helix	trans	-71.6	-23.6	-177.5	-116.6	-86.9	0	0	0	114.3	F10 V11	F10-F13 PolarHBondContact O-N 3.27Å; V11-F13 PolarHBondContact O-N 3.01Å
14	I	36.9	Very low	38.7	Very low	125 Å²	125	98.2 Å²	98.2	64%	0.641	53%	0.531	S	S	*	.	H	α-helix	trans	-87.4	-15.7	-175.5	-64.5	-179.3	0	0	0	112.3	F10 V11 I12 Q16	F10-I14 HydrophobicContact CD1-CD1 4.29Å; F10-I14 HydrophobicContact CE1-CD1 3.9Å; V11-I14 PolarHBondContact O-N 3.1Å; I12-I14 VanDerWaalsContact C-N 3.35Å; I12-I14 PolarHBondContact O-N 3.38Å; I14-Q16 PolarHBondContact O-N 2.72Å
15	H	39.3	Very low	39.2	Very low	94 Å²	94	93.9 Å²	93.9	44%	0.435	50%	0.504	S	S	.	.			trans	-87.7	11.8	-167.7	-152	-67.2	0	0	0	115.5	G17 M163 H485	H15-G17 PolarHBondContact O-N 3.27Å; H15-M163 HydrophobicContact CB-CE 4.3Å; H15-M163 WeakPolarHBondContact CD2-CE 3.45Å; H15-H485 AromaticContact CD2-CE1 3.8Å; H15-H485 AromaticContact CD2-NE2 3.71Å; H15-H485 AromaticContact NE2-CE1 3.96Å
16	Q	31.9	Very low	39.8	Very low	172 Å²	172	90.4 Å²	90.4	80%	0.804	49%	0.486	S	S	*	.			trans	-80.3	38.1	177.6	-79.9	-171.2	-24.4	0	0	114.5	I14	I14-Q16 PolarHBondContact O-N 2.72Å
17	G	29.8	Very low	40.8	Very low	64 Å²	64	86.7 Å²	86.7	66%	0.66	46%	0.459	S	S	*	.			trans	-85.7	119	175.6	0	0	0	0	0	113	H15 A19	H15-G17 PolarHBondContact O-N 3.27Å; G17-A19 PolarHBondContact O-N 3.11Å
18	Y	29.8	Very low	41.4	Very low	193 Å²	193	86.1 Å²	86.1	76%	0.757	45%	0.45	S	S	*	.			trans	-63.5	104	179.4	-69.1	-94.3	0	0	0	112.7
19	A	32.9	Very low	42.2	Very low	70 Å²	70	83.1 Å²	83.1	58%	0.579	43%	0.432	S	S	*	.			trans	-137.4	135	163.5	0	0	0	0	0	108.9	G17 K21	G17-A19 PolarHBondContact O-N 3.11Å; A19-K21 PolarHBondContact O-N 2.89Å
20	L	36.6	Very low	43	Very low	92 Å²	92	82.6 Å²	82.6	48%	0.482	42%	0.421	S	S	.	.			trans	-54.3	95.8	171.5	-84.7	149	0	0	0	109	I43 Q45	L20-I43 HydrophobicContact CD2-CG2 4.08Å; L20-Q45 HydrophobicContact CD2-CB 4.25Å; L20-Q45 HydrophobicContact CD2-CG 4.18Å
21	K	43.7	Very low	44	Very low	129 Å²	129	78.1 Å²	78.1	56%	0.561	40%	0.401	S	S	*	.			trans	-107.3	127.8	175.5	-81.7	178.4	177.1	171.1	0	108.1	A19 S23	A19-K21 PolarHBondContact O-N 2.89Å; K21-S23 PolarHBondContact O-N 2.86Å
22	P	44.5	Very low	44.9	Very low	87 Å²	87	81.6 Å²	81.6	57%	0.565	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-57.8	116.4	168.8	24.6	-31.6	0	0	0	107.9	I43	P22-I43 HydrophobicContact CB-CG1 4.35Å
23	S	47.5	Very low	45.6	Very low	26 Å²	26	84 Å²	84	18%	0.182	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	138.2	-177.1	34.8	0	0	0	0	109.2	K21 Y42	K21-S23 PolarHBondContact O-N 2.86Å; S23-Y42 VanDerWaalsContact CB-CZ 3.42Å; S23-Y42 WeakPolarHBondContact CB-OH 3.37Å; S23-Y42 PolarHBondContact N-O 3.45Å; S23-Y42 WeakPolarHBondContact O-CD1 3.21Å; S23-Y42 PolarHBondContact O-N 3.27Å; S23-Y42 WeakPolarHBondContact OG-CD2 3.47Å; S23-Y42 WeakPolarHBondContact OG-CE1 3.35Å; S23-Y42 WeakPolarHBondContact OG-CE2 2.95Å; S23-Y42 PolarHBondContact OG-O 3.4Å; S23-Y42 PolarHBondContact OG-OH 2.79Å
24	V	50.9	Low	46.3	Very low	25 Å²	25	82.1 Å²	82.1	15%	0.152	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	136.9	172.5	179.9	0	0	0	0	106.9	R39 F41 Y42 F158	V24-R39 HydrophobicContact CG1-CG 3.6Å; V24-R39 VanDerWaalsContact CG1-NE 3.28Å; V24-F41 HydrophobicContact CG2-CD1 4.03Å; V24-F41 HydrophobicContact CG2-CE1 3.81Å; V24-Y42 WeakPolarHBondContact O-CE1 3.21Å; V24-F158 HydrophobicContact CB-CB 4.33Å; V24-F158 HydrophobicContact CB-CD1 4.34Å; V24-F158 HydrophobicContact CG1-CB 4.43Å; V24-F158 WeakPolarHBondContact O-CA 3.45Å; V24-F158 WeakPolarHBondContact O-CB 3.36Å; V24-F158 PolarHBondContact O-N 2.79Å
25	G	51.5	Low	47.2	Very low	0 Å²	0	79.9 Å²	79.9	0%	0	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	158.6	169.9	0	0	0	0	0	110.7	C40 F156	G25-C40 VanDerWaalsContact C-SG 3.58Å; G25-C40 PolarHBondContact N-O 3.16Å; G25-C40 PolarHBondContact O-N 2.97Å; G25-C40 PolarHBondContact O-SG 2.89Å; G25-F156 CarbonylContact C-O 3.58Å; G25-F156 WeakPolarHBondContact CA-O 3.31Å
26	I	53.4	Low	47.7	Very low	49 Å²	49	77.4 Å²	77.4	25%	0.251	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	110.4	166.7	-58.4	174.6	0	0	0	106.9	K28 V155 F156	I26-K28 HydrophobicContact CG2-CG 4.22Å; I26-K28 PolarHBondContact O-N 3.47Å; I26-V155 WeakPolarHBondContact O-CA 3.44Å; I26-F156 HydrophobicContact CB-CB 4.37Å; I26-F156 PolarHBondContact N-O 3.05Å; I26-F156 PolarHBondContact O-N 3.11Å
27	L	57.3	Low	48.6	Very low	3 Å²	3	70.3 Å²	70.3	2%	0.016	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	103.1	170.1	-168.3	79.8	0	0	0	108.6	V29 S37 H38 C40 L128 L130 I138 V153 S154 V155	L27-V29 HydrophobicContact CD2-CG2 3.98Å; L27-V29 HydrophobicContact CG-CG2 4.22Å; L27-S37 CarbonylContact O-C 3.59Å; L27-S37 VanDerWaalsContact O-CA 3.28Å; L27-S37 WeakPolarHBondContact O-CA 3.22Å; L27-H38 WeakPolarHBondContact CA-O 3.44Å; L27-H38 HydrophobicContact CB-CB 4.32Å; L27-H38 VanDerWaalsContact CB-O 3.26Å; L27-H38 WeakPolarHBondContact CB-O 3.1Å; L27-H38 HydrophobicContact CD2-CB 4.44Å; L27-H38 PolarHBondContact N-O 2.92Å; L27-H38 PolarHBondContact O-N 3.49Å; L27-C40 HydrophobicContact CB-CB 4.23Å; L27-L128 HydrophobicContact CD1-CD1 4.23Å; L27-L128 HydrophobicContact CD1-CD2 3.9Å; L27-L128 HydrophobicContact CD2-CD2 4.47Å; L27-L130 HydrophobicContact CD2-CD1 4.48Å; L27-L130 HydrophobicContact CD2-CD2 4.06Å; L27-I138 HydrophobicContact CD2-CD1 3.84Å; L27-V153 HydrophobicContact CD1-CG1 3.09Å; L27-V153 HydrophobicContact CD2-CG1 4.07Å; L27-V153 HydrophobicContact CG-CG1 3.57Å; L27-S154 CarbonylContact C-O 3.47Å; L27-S154 WeakPolarHBondContact CA-O 3.48Å; L27-V155 HydrophobicContact CD1-CG2 3.47Å; L27-V155 VanDerWaalsContact CD1-CG2 3.47Å
28	K	53	Low	49.6	Very low	73 Å²	73	67.7 Å²	67.7	32%	0.317	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	125.9	166.1	-63	-167.9	-169.7	170.2	0	109.4	I26 Y30 V35 S36 V153 S154 F156	I26-K28 HydrophobicContact CG2-CG 4.22Å; I26-K28 PolarHBondContact O-N 3.47Å; K28-Y30 HydrophobicContact CB-CD2 4.47Å; K28-Y30 HydrophobicContact CB-CE2 3.8Å; K28-V35 HydrophobicContact CB-CG1 4.05Å; K28-V35 HydrophobicContact CD-CG1 4.04Å; K28-V35 HydrophobicContact CG-CG1 4.3Å; K28-S36 CarbonylContact C-O 3.57Å; K28-S36 WeakPolarHBondContact CA-O 3.31Å; K28-V153 CarbonylContact O-C 3.57Å; K28-V153 WeakPolarHBondContact O-CA 3.01Å; K28-S154 PolarHBondContact N-O 3.46Å; K28-S154 PolarHBondContact O-N 3.13Å; K28-F156 HydrophobicContact CB-CE2 4.05Å; K28-F156 HydrophobicContact CD-CD2 4.02Å; K28-F156 HydrophobicContact CD-CE2 3.45Å; K28-F156 VanDerWaalsContact CD-CE2 3.45Å; K28-F156 HydrophobicContact CD-CZ 4.29Å; K28-F156 HydrophobicContact CG-CD2 3.89Å; K28-F156 HydrophobicContact CG-CE2 3.67Å
29	V	58.1	Low	50.3	Low	8 Å²	8	62 Å²	62	5%	0.048	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	116.5	173.9	-177.5	0	0	0	0	106.6	L27 V35 S36 I138 I151 V153	L27-V29 HydrophobicContact CD2-CG2 3.98Å; L27-V29 HydrophobicContact CG-CG2 4.22Å; V29-V35 WeakPolarHBondContact O-CA 3.48Å; V29-S36 WeakPolarHBondContact CB-OG 3.24Å; V29-S36 PolarHBondContact N-O 3.02Å; V29-S36 PolarHBondContact O-N 3.03Å; V29-I138 HydrophobicContact CG2-CD1 4.45Å; V29-I138 HydrophobicContact CG2-CG1 4.3Å; V29-I151 HydrophobicContact CG1-CG2 3.64Å; V29-V153 HydrophobicContact CG1-CG2 4.46Å; V29-V153 HydrophobicContact CG2-CG2 4.28Å
30	Y	56	Low	51.2	Low	71 Å²	71	58.6 Å²	58.6	28%	0.278	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	115.8	176.4	-60.1	-98.8	0	0	0	108	K28 V35 S152 S154	K28-Y30 HydrophobicContact CB-CD2 4.47Å; K28-Y30 HydrophobicContact CB-CE2 3.8Å; Y30-V35 HydrophobicContact CD1-CG1 4.33Å; Y30-V35 HydrophobicContact CD1-CG2 3.52Å; Y30-V35 HydrophobicContact CE1-CG1 4.15Å; Y30-V35 HydrophobicContact CE1-CG2 3.67Å; Y30-V35 HydrophobicContact CG-CG2 4.43Å; Y30-S152 WeakPolarHBondContact CB-OG 3.24Å; Y30-S152 PolarHBondContact N-O 2.97Å; Y30-S152 PolarHBondContact O-N 3.03Å; Y30-S154 WeakPolarHBondContact CE2-OG 3.25Å
31	K	56.1	Low	51.9	Low	56 Å²	56	56.7 Å²	56.7	24%	0.243	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	99.8	171.9	-174.9	176.1	-177	173.7	0	107.5	D33 N34 S141	K31-D33 PolarHBondContact O-N 3.36Å; K31-D33 VanDerWaalsContact O-N 3.16Å; K31-N34 PolarHBondContact N-O 2.66Å; K31-N34 WeakPolarHBondContact O-CA 3.42Å; K31-N34 WeakPolarHBondContact O-CB 3.18Å; K31-N34 PolarHBondContact O-N 2.59Å; K31-S141 PolarHBondContact NZ-O 3.22Å; K31-S141 PolarHBondContact NZ-OG 3.24Å
32	D	59.9	Low	52.3	Low	101 Å²	101	51.8 Å²	51.8	54%	0.54	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	-113	-171.9	-43.1	-51.3	0	0	0	111.6	M149	D32-M149 WeakPolarHBondContact OD1-CE 3.34Å; D32-M149 WeakPolarHBondContact OD2-CE 3.39Å
33	D	53.9	Low	52.5	Low	158 Å²	158	48.2 Å²	48.2	85%	0.845	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-10.2	175.9	-66.9	-36.1	0	0	0	113.3	K31	K31-D33 PolarHBondContact O-N 3.36Å; K31-D33 VanDerWaalsContact O-N 3.16Å
34	N	48.8	Very low	52.5	Low	128 Å²	128	48 Å²	48	68%	0.684	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	127.4	179.5	-77.3	-29.2	0	0	0	110.7	K31	K31-N34 PolarHBondContact N-O 2.66Å; K31-N34 WeakPolarHBondContact O-CA 3.42Å; K31-N34 WeakPolarHBondContact O-CB 3.18Å; K31-N34 PolarHBondContact O-N 2.59Å
35	V	55.6	Low	52.1	Low	78 Å²	78	52.2 Å²	52.2	47%	0.473	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	112.7	173.7	-174.2	0	0	0	0	107.9	K28 V29 Y30	K28-V35 HydrophobicContact CB-CG1 4.05Å; K28-V35 HydrophobicContact CD-CG1 4.04Å; K28-V35 HydrophobicContact CG-CG1 4.3Å; V29-V35 WeakPolarHBondContact O-CA 3.48Å; Y30-V35 HydrophobicContact CD1-CG1 4.33Å; Y30-V35 HydrophobicContact CD1-CG2 3.52Å; Y30-V35 HydrophobicContact CE1-CG1 4.15Å; Y30-V35 HydrophobicContact CE1-CG2 3.67Å; Y30-V35 HydrophobicContact CG-CG2 4.43Å
36	S	50.5	Low	51.5	Low	43 Å²	43	56.3 Å²	56.3	30%	0.301	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	143.4	164.5	67.7	0	0	0	0	109.1	K28 V29 H38	K28-S36 CarbonylContact C-O 3.57Å; K28-S36 WeakPolarHBondContact CA-O 3.31Å; V29-S36 WeakPolarHBondContact CB-OG 3.24Å; V29-S36 PolarHBondContact N-O 3.02Å; V29-S36 PolarHBondContact O-N 3.03Å; S36-H38 WeakPolarHBondContact CB-NE2 3.4Å; S36-H38 PolarHBondContact OG-NE2 3.31Å
37	S	50.7	Low	50.9	Low	23 Å²	23	57 Å²	57	16%	0.161	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.9	177.3	47.8	0	0	0	0	108.9	L27 V422	L27-S37 CarbonylContact O-C 3.59Å; L27-S37 VanDerWaalsContact O-CA 3.28Å; L27-S37 WeakPolarHBondContact O-CA 3.22Å; S37-V422 CarbonylContact C-O 3.53Å; S37-V422 VanDerWaalsContact CB-O 3.28Å; S37-V422 WeakPolarHBondContact CB-O 3.36Å; S37-V422 PolarHBondContact OG-O 2.91Å
38	H	50.2	Low	49.8	Very low	8 Å²	8	62.3 Å²	62.3	4%	0.037	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	144.1	179.8	-55.6	-84.5	0	0	0	108.9	L27 S36 E137	L27-H38 WeakPolarHBondContact CA-O 3.44Å; L27-H38 HydrophobicContact CB-CB 4.32Å; L27-H38 VanDerWaalsContact CB-O 3.26Å; L27-H38 WeakPolarHBondContact CB-O 3.1Å; L27-H38 HydrophobicContact CD2-CB 4.44Å; L27-H38 PolarHBondContact N-O 2.92Å; L27-H38 PolarHBondContact O-N 3.49Å; S36-H38 WeakPolarHBondContact CB-NE2 3.4Å; S36-H38 PolarHBondContact OG-NE2 3.31Å; H38-E137 IonicContact CE1-OE2 3.88Å; H38-E137 PolarHBondContact CE1-OE2 3.44Å; H38-E137 VanDerWaalsContact CE1-OE2 3.23Å; H38-E137 IonicContact ND1-OE2 3.03Å
39	R	46.4	Very low	49.1	Very low	73 Å²	73	61.4 Å²	61.4	28%	0.275	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	128	172.3	-171.3	179.7	-179.6	178.7	2.4	108.4	V24 Q134 V422	V24-R39 HydrophobicContact CG1-CG 3.6Å; V24-R39 VanDerWaalsContact CG1-NE 3.28Å; R39-Q134 PolarHBondContact O-NE2 3.37Å; R39-Q134 VanDerWaalsContact O-NE2 3.13Å; R39-Q134 PolarHBondContact O-OE1 2.93Å; R39-V422 HydrophobicContact CB-CG1 4.46Å
40	C	49.9	Very low	48	Very low	0 Å²	0	66.2 Å²	66.2	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	145.2	171.5	61.4	0	0	0	0	109.6	G25 L27 L128 L130	G25-C40 VanDerWaalsContact C-SG 3.58Å; G25-C40 PolarHBondContact N-O 3.16Å; G25-C40 PolarHBondContact O-N 2.97Å; G25-C40 PolarHBondContact O-SG 2.89Å; L27-C40 HydrophobicContact CB-CB 4.23Å; C40-L128 HydrophobicContact CB-CD1 3.31Å; C40-L128 HydrophobicContact CB-CG 3.9Å; C40-L128 WeakPolarHBondContact SG-CD1 3.14Å; C40-L130 HydrophobicContact CB-CD2 4.07Å
41	F	53	Low	47.1	Very low	51 Å²	51	67.7 Å²	67.7	22%	0.224	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	134	165.3	-64.2	-92.4	0	0	0	108	V24 L107 L128 F129	V24-F41 HydrophobicContact CG2-CD1 4.03Å; V24-F41 HydrophobicContact CG2-CE1 3.81Å; F41-L107 HydrophobicContact CB-CD2 4.37Å; F41-L107 HydrophobicContact CD1-CD2 4.25Å; F41-L107 HydrophobicContact CD2-CD2 3.37Å; F41-L107 HydrophobicContact CE1-CD2 4.4Å; F41-L107 HydrophobicContact CE2-CD2 3.57Å; F41-L107 HydrophobicContact CG-CD2 3.74Å; F41-L107 HydrophobicContact CZ-CD2 4.08Å; F41-L128 WeakPolarHBondContact O-CA 3.28Å; F41-F129 HydrophobicContact CB-CB 4.15Å; F41-F129 HydrophobicContact CB-CD2 4.01Å; F41-F129 HydrophobicContact CB-CG 4.47Å; F41-F129 PolarHBondContact N-O 3.35Å; F41-F129 PolarHBondContact O-N 2.94Å
42	Y	51	Low	45.8	Very low	26 Å²	26	71.7 Å²	71.7	10%	0.102	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	143.6	169.6	77.5	-83.4	0	0	0	111.1	S23 V24 L49 N127 V155 P157	S23-Y42 VanDerWaalsContact CB-CZ 3.42Å; S23-Y42 WeakPolarHBondContact CB-OH 3.37Å; S23-Y42 PolarHBondContact N-O 3.45Å; S23-Y42 WeakPolarHBondContact O-CD1 3.21Å; S23-Y42 PolarHBondContact O-N 3.27Å; S23-Y42 WeakPolarHBondContact OG-CD2 3.47Å; S23-Y42 WeakPolarHBondContact OG-CE1 3.35Å; S23-Y42 WeakPolarHBondContact OG-CE2 2.95Å; S23-Y42 PolarHBondContact OG-O 3.4Å; S23-Y42 PolarHBondContact OG-OH 2.79Å; V24-Y42 WeakPolarHBondContact O-CE1 3.21Å; Y42-L49 HydrophobicContact CE2-CD1 4.34Å; Y42-N127 WeakPolarHBondContact CA-O 3.15Å; Y42-V155 HydrophobicContact CD1-CG1 4.31Å; Y42-P157 VanDerWaalsContact OH-CB 3.23Å; Y42-P157 WeakPolarHBondContact OH-CB 3.49Å
43	I	49.7	Very low	44.9	Very low	12 Å²	12	70.9 Å²	70.9	6%	0.062	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.7	172.4	-59.7	170	0	0	0	105.8	L20 P22 F123 F129	L20-I43 HydrophobicContact CD2-CG2 4.08Å; P22-I43 HydrophobicContact CB-CG1 4.35Å; I43-F123 HydrophobicContact CB-CD1 4.41Å; I43-F123 HydrophobicContact CD1-CD1 3.76Å; I43-F123 HydrophobicContact CD1-CE1 3.5Å; I43-F123 HydrophobicContact CG2-CD1 3.91Å; I43-F129 HydrophobicContact CD1-CE2 4.08Å
44	S	45.9	Very low	44.1	Very low	21 Å²	21	65 Å²	65	15%	0.147	37%	0.367	C	S	.	.			trans	-130.2	135.2	173.6	174.3	0	0	0	0	109.2	T46	S44-T46 VanDerWaalsContact C-N 3.25Å; S44-T46 PolarHBondContact OG-N 3.38Å; S44-T46 PolarHBondContact OG-O 2.9Å; S44-T46 PolarHBondContact OG-OG1 2.95Å
45	Q	43.5	Very low	43.3	Very low	115 Å²	115	63.8 Å²	63.8	54%	0.537	36%	0.364	S	S	.	.	S	Bend	trans	-76	-15.5	175.9	-154.8	175.1	11.8	0	0	112.2	L20	L20-Q45 HydrophobicContact CD2-CB 4.25Å; L20-Q45 HydrophobicContact CD2-CG 4.18Å
46	T	38.8	Very low	42.3	Very low	85 Å²	85	63.1 Å²	63.1	52%	0.521	36%	0.361	S	S	.	.			trans	-106.9	103.9	179.6	52.9	0	0	0	0	110.1	S44 N48	S44-T46 VanDerWaalsContact C-N 3.25Å; S44-T46 PolarHBondContact OG-N 3.38Å; S44-T46 PolarHBondContact OG-O 2.9Å; S44-T46 PolarHBondContact OG-OG1 2.95Å; T46-N48 CarbonylContact O-C 3.49Å; T46-N48 PolarHBondContact O-N 3.39Å
47	G	40	Very low	41.5	Very low	64 Å²	64	68.8 Å²	68.8	66%	0.66	38%	0.38	S	S	*	.	S	Bend	trans	-62.1	8.6	171.3	0	0	0	0	0	115.2
48	N	34.6	Very low	41	Very low	114 Å²	114	69.4 Å²	69.4	61%	0.61	38%	0.381	S	S	*	.	S	Bend	trans	-116.6	105.1	166	-86.8	-17.2	0	0	0	107.5	T46 D50	T46-N48 CarbonylContact O-C 3.49Å; T46-N48 PolarHBondContact O-N 3.39Å; N48-D50 PolarHBondContact O-N 3.05Å
49	L	38	Very low	40.2	Very low	54 Å²	54	74.6 Å²	74.6	28%	0.283	40%	0.403	S	S	.	.			trans	-62.8	123.6	156.7	-102.6	90.1	0	0	0	106.8	Y42 P51 T54 P157	Y42-L49 HydrophobicContact CE2-CD1 4.34Å; L49-P51 WeakPolarHBondContact O-CD 3.44Å; L49-T54 HydrophobicContact CB-CG2 4.33Å; L49-T54 HydrophobicContact CD2-CG2 3.28Å; L49-T54 HydrophobicContact CG-CG2 4.42Å; L49-P157 HydrophobicContact CD1-CB 4.1Å; L49-P157 HydrophobicContact CD1-CG 4.25Å; L49-P157 HydrophobicContact CD2-CG 4.02Å
50	D	34.8	Very low	39.8	Very low	110 Å²	110	73.4 Å²	73.4	59%	0.588	40%	0.402	S	S	*	.			trans	-56.2	123.3	159.7	-94.3	-30.5	0	0	0	107.6	N48 L52 L53	N48-D50 PolarHBondContact O-N 3.05Å; D50-L52 PolarHBondContact O-N 3.39Å; D50-L53 HydrophobicContact CB-CD1 4.46Å; D50-L53 PolarHBondContact O-N 3.22Å
51	P	36.9	Very low	39	Very low	101 Å²	101	77.1 Å²	77.1	66%	0.656	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-1.1	177.1	25.1	-32.3	0	0	0	113.1	L49 T54	L49-P51 WeakPolarHBondContact O-CD 3.44Å; P51-T54 VanDerWaalsContact C-OG1 3.22Å; P51-T54 WeakPolarHBondContact CA-OG1 3.03Å; P51-T54 PolarHBondContact O-OG1 3.35Å
52	L	30.6	Very low	37.9	Very low	141 Å²	141	81.2 Å²	81.2	74%	0.738	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-31	169.4	-106.1	119.2	0	0	0	113.2	D50 T54 T55	D50-L52 PolarHBondContact O-N 3.39Å; L52-T54 VanDerWaalsContact C-N 3.35Å; L52-T55 PolarHBondContact O-OG1 3.32Å
53	L	39.8	Very low	37.1	Very low	83 Å²	83	85 Å²	85	44%	0.435	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-77.7	-21.5	176.1	-105.9	103	0	0	0	112.7	D50 T55 T56 F126	D50-L53 HydrophobicContact CB-CD1 4.46Å; D50-L53 PolarHBondContact O-N 3.22Å; L53-T55 PolarHBondContact O-N 3.42Å; L53-T56 PolarHBondContact O-OG1 3Å; L53-F126 HydrophobicContact CD2-CE2 4.19Å; L53-F126 HydrophobicContact CD2-CZ 4.42Å
54	T	37.6	Very low	36	Very low	34 Å²	34	91.3 Å²	91.3	21%	0.209	50%	0.498	C	S	.	.	G	3₁₀ helix	trans	-65.6	-13.1	175.4	46.6	0	0	0	0	113.7	L49 P51 L52	L49-T54 HydrophobicContact CB-CG2 4.33Å; L49-T54 HydrophobicContact CD2-CG2 3.28Å; L49-T54 HydrophobicContact CG-CG2 4.42Å; P51-T54 VanDerWaalsContact C-OG1 3.22Å; P51-T54 WeakPolarHBondContact CA-OG1 3.03Å; P51-T54 PolarHBondContact O-OG1 3.35Å; L52-T54 VanDerWaalsContact C-N 3.35Å
55	T	32.2	Very low	34.9	Very low	103 Å²	103	94.2 Å²	94.2	63%	0.632	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-124.2	3.6	-176	51.1	0	0	0	0	113.9	L52 L53 K57	L52-T55 PolarHBondContact O-OG1 3.32Å; L53-T55 PolarHBondContact O-N 3.42Å; T55-K57 PolarHBondContact O-N 2.95Å
56	T	33.8	Very low	34.1	Very low	65 Å²	65	96 Å²	96	40%	0.399	54%	0.538	S	S	.	.			trans	-69.8	100.7	175	37	0	0	0	0	110.2	L53 M58	L53-T56 PolarHBondContact O-OG1 3Å; T56-M58 PolarHBondContact O-N 3.37Å
57	K	34.2	Very low	33.6	Very low	162 Å²	162	96.9 Å²	96.9	70%	0.704	54%	0.543	S	S	*	.			trans	-56.5	101.2	162.8	-80.6	-173.8	175.6	-177.3	0	108	T55 K59	T55-K57 PolarHBondContact O-N 2.95Å; K57-K59 PolarHBondContact O-N 3.33Å
58	M	40.7	Very low	33	Very low	36 Å²	36	103.9 Å²	103.9	18%	0.177	56%	0.555	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-76	106.7	173.5	-66.5	-171.1	-174.3	0	0	108.6	T56 L60 L77 I79 L98 I151 S152 V153	T56-M58 PolarHBondContact O-N 3.37Å; M58-L60 PolarHBondContact O-N 3.09Å; M58-L77 HydrophobicContact CE-CD2 4.13Å; M58-I79 HydrophobicContact SD-CD1 4.47Å; M58-L98 HydrophobicContact CE-CD2 4.26Å; M58-L98 HydrophobicContact SD-CD2 3.67Å; M58-I151 VanDerWaalsContact O-O 3.12Å; M58-S152 VanDerWaalsContact O-CA 3.29Å; M58-S152 WeakPolarHBondContact O-CA 3.48Å; M58-V153 PolarHBondContact N-O 3.12Å; M58-V153 PolarHBondContact O-N 3.24Å
59	K	32.5	Very low	32.6	Very low	116 Å²	116	104.8 Å²	104.8	50%	0.504	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.9	110.6	174.1	-163.6	-177.5	-172.2	-177.1	0	108.2	K57 V61 N150	K57-K59 PolarHBondContact O-N 3.33Å; K59-V61 HydrophobicContact CB-CG2 4.33Å; K59-V61 HydrophobicContact CD-CG2 3.93Å; K59-V61 HydrophobicContact CG-CG2 3.9Å; K59-V61 PolarHBondContact O-N 2.97Å; K59-N150 WeakPolarHBondContact CE-OD1 3.5Å; K59-N150 PolarHBondContact NZ-OD1 3Å
60	L	38.6	Very low	32.1	Very low	48 Å²	48	111 Å²	111	25%	0.251	59%	0.587	S	S	.	*			trans	-67.8	110.5	168.3	-92.2	128.7	0	0	0	108.3	M58 F63 I151 V153	M58-L60 PolarHBondContact O-N 3.09Å; L60-F63 HydrophobicContact CD2-CD2 4.01Å; L60-F63 HydrophobicContact CD2-CE2 3.19Å; L60-F63 HydrophobicContact CD2-CZ 3.85Å; L60-I151 HydrophobicContact CB-CB 4.38Å; L60-I151 HydrophobicContact CD1-CB 4.21Å; L60-I151 HydrophobicContact CD1-CG2 3.84Å; L60-I151 PolarHBondContact N-O 2.94Å; L60-I151 VanDerWaalsContact N-O 3.15Å; L60-V153 HydrophobicContact CD1-CG2 3.69Å
61	V	32.7	Very low	31.8	Very low	79 Å²	79	111.7 Å²	111.7	48%	0.479	60%	0.598	S	S	.	*			trans	-114	118.7	176.1	-178	0	0	0	0	108.3	K59	K59-V61 HydrophobicContact CB-CG2 4.33Å; K59-V61 HydrophobicContact CD-CG2 3.93Å; K59-V61 HydrophobicContact CG-CG2 3.9Å; K59-V61 PolarHBondContact O-N 2.97Å
62	N	30.6	Very low	31.3	Very low	137 Å²	137	114 Å²	114	73%	0.733	61%	0.605	S	S	*	*			trans	42.6	100	169.1	-93.2	-3.7	0	0	0	117.7	I64	N62-I64 PolarHBondContact O-N 3.41Å
63	F	33.9	Very low	31.2	Very low	106 Å²	106	113.1 Å²	113.1	47%	0.465	60%	0.6	S	S	.	*	S	Bend	trans	-72.7	5.2	165.1	-91.7	-70.5	0	0	0	114.6	L60 V81 I139	L60-F63 HydrophobicContact CD2-CD2 4.01Å; L60-F63 HydrophobicContact CD2-CE2 3.19Å; L60-F63 HydrophobicContact CD2-CZ 3.85Å; F63-V81 HydrophobicContact CE1-CB 4.44Å; F63-V81 HydrophobicContact CE1-CG2 3.66Å; F63-V81 HydrophobicContact CZ-CG2 3.64Å; F63-I139 HydrophobicContact CE2-CD1 4.47Å
64	I	25.4	Very low	30.5	Very low	143 Å²	143	114.8 Å²	114.8	73%	0.733	62%	0.619	S	S	*	*			trans	-139.5	87.9	-172.5	-50.3	173.9	0	0	0	109.4	N62	N62-I64 PolarHBondContact O-N 3.41Å
65	S	24.5	Very low	30.1	Very low	83 Å²	83	118.9 Å²	118.9	58%	0.58	65%	0.649	S	S	*	*			trans	177.7	93.5	133.5	69.8	0	0	0	0	110	T67	S65-T67 PolarHBondContact O-N 3.42Å
66	T	25.1	Very low	30.4	Very low	152 Å²	152	117.3 Å²	117.3	93%	0.933	64%	0.642	S	S	*	*			trans	-75.3	68.5	154	50.2	0	0	0	0	108.5
67	T	28.4	Very low	30.8	Very low	104 Å²	104	117.9 Å²	117.9	64%	0.638	64%	0.642	S	S	*	*			trans	-141.3	100.7	169.8	51.2	0	0	0	0	109.3	S65 D69	S65-T67 PolarHBondContact O-N 3.42Å; T67-D69 PolarHBondContact O-N 3.25Å
68	K	27.2	Very low	31.3	Very low	210 Å²	210	112.7 Å²	112.7	91%	0.913	63%	0.629	S	S	*	*	S	Bend	trans	1.9	-0.7	164.4	-79.9	-179.5	173.5	178.3	0	124.8
69	D	27.5	Very low	31.8	Very low	133 Å²	133	113.3 Å²	113.3	71%	0.711	63%	0.633	S	S	*	*			trans	-122.2	91.4	-171.8	-60.3	-35.6	0	0	0	111	T67	T67-D69 PolarHBondContact O-N 3.25Å
70	H	27.6	Very low	32.6	Very low	184 Å²	184	109.1 Å²	109.1	85%	0.852	62%	0.618	S	S	*	*			trans	160.4	96.5	147.3	-82.5	-51.8	0	0	0	110.9	N72	H70-N72 PolarHBondContact O-N 3.38Å
71	P	28	Very low	33.3	Very low	125 Å²	125	108.9 Å²	108.9	81%	0.812	62%	0.619	S	S	*	*			trans	-89.3	19.6	-174.4	34.7	-33.9	0	0	0	115.7
72	N	26.8	Very low	34.4	Very low	149 Å²	149	105.6 Å²	105.6	80%	0.797	60%	0.598	S	S	*	*			trans	-130	53.7	-170.1	-78.8	-12.5	0	0	0	115.3	H70	H70-N72 PolarHBondContact O-N 3.38Å
73	L	27.7	Very low	35.5	Very low	123 Å²	123	105 Å²	105	64%	0.644	59%	0.586	S	S	*	*			trans	-114.4	81.3	163.2	-138.8	85.9	0	0	0	111.1	S75	L73-S75 PolarHBondContact O-N 2.92Å; L73-S75 VanDerWaalsContact O-N 3.07Å
74	S	25.6	Very low	36.3	Very low	118 Å²	118	102.1 Å²	102.1	83%	0.825	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	87.4	173.6	55	0	0	0	0	110.9
75	S	29.1	Very low	37.3	Very low	120 Å²	120	102.2 Å²	102.2	84%	0.839	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	161.8	12.1	151.1	66.9	0	0	0	0	114.2	L73	L73-S75 PolarHBondContact O-N 2.92Å; L73-S75 VanDerWaalsContact O-N 3.07Å
76	S	38.2	Very low	38.4	Very low	71 Å²	71	102.6 Å²	102.6	50%	0.497	57%	0.569	S	S	.	*			trans	-91.4	110.7	178.5	55.1	0	0	0	0	110.9	A78	S76-A78 PolarHBondContact O-N 3Å
77	L	42.7	Very low	39.4	Very low	77 Å²	77	98.1 Å²	98.1	40%	0.403	54%	0.544	S	S	.	.			trans	-52.4	126.5	169.3	-132.8	86.5	0	0	0	108.7	M58 I79 Q97	M58-L77 HydrophobicContact CE-CD2 4.13Å; L77-I79 PolarHBondContact O-N 3.33Å; L77-Q97 VanDerWaalsContact CD1-OE1 3.32Å; L77-Q97 HydrophobicContact CD2-CB 3.71Å; L77-Q97 HydrophobicContact CG-CB 3.65Å; L77-Q97 HydrophobicContact CG-CG 4.33Å
78	A	45.2	Very low	40.2	Very low	52 Å²	52	97 Å²	97	43%	0.43	53%	0.534	S	S	.	.			trans	-68.9	107.1	178.4	0	0	0	0	0	109.7	S76 P96 Q97 L98	S76-A78 PolarHBondContact O-N 3Å; A78-P96 WeakPolarHBondContact O-CB 3.18Å; A78-Q97 PolarHBondContact O-N 2.68Å; A78-L98 PolarHBondContact O-N 3.31Å
79	I	51.2	Low	41.3	Very low	50 Å²	50	93.6 Å²	93.6	26%	0.256	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	128	174.1	-57.9	172.3	0	0	0	107.4	M58 L77 L98 I100	M58-I79 HydrophobicContact SD-CD1 4.47Å; L77-I79 PolarHBondContact O-N 3.33Å; I79-L98 WeakPolarHBondContact CA-O 3.2Å; I79-L98 HydrophobicContact CD1-CD2 4.45Å; I79-L98 HydrophobicContact CG1-CB 4.36Å; I79-L98 HydrophobicContact CG1-CD2 4.21Å; I79-L98 HydrophobicContact CG2-CD2 4.26Å; I79-I100 HydrophobicContact CG2-CD1 3.69Å; I79-I100 HydrophobicContact CG2-CG1 4.08Å
80	S	49.6	Very low	42.4	Very low	28 Å²	28	91.4 Å²	91.4	20%	0.196	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	130.9	168.2	-64.4	0	0	0	0	109.7	I94 P96 L98 I100	S80-I94 VanDerWaalsContact OG-CG2 3.31Å; S80-I94 WeakPolarHBondContact OG-CG2 3.29Å; S80-P96 WeakPolarHBondContact OG-CB 3.15Å; S80-L98 PolarHBondContact N-O 2.89Å; S80-I100 PolarHBondContact O-N 2.84Å
81	V	52.3	Low	43.3	Very low	42 Å²	42	83.7 Å²	83.7	26%	0.255	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	127.7	172.8	-178	0	0	0	0	108.1	F63 I100 V102 F135	F63-V81 HydrophobicContact CE1-CB 4.44Å; F63-V81 HydrophobicContact CE1-CG2 3.66Å; F63-V81 HydrophobicContact CZ-CG2 3.64Å; V81-I100 CarbonylContact C-O 3.5Å; V81-I100 WeakPolarHBondContact CA-O 2.85Å; V81-I100 HydrophobicContact CG2-CB 4.16Å; V81-I100 HydrophobicContact CG2-CD1 4.28Å; V81-V102 HydrophobicContact CG1-CG2 3.66Å; V81-F135 HydrophobicContact CB-CE2 4.47Å; V81-F135 HydrophobicContact CB-CZ 4.36Å; V81-F135 HydrophobicContact CG1-CE1 4.3Å; V81-F135 HydrophobicContact CG1-CE2 3.61Å; V81-F135 HydrophobicContact CG1-CZ 3.46Å; V81-F135 VanDerWaalsContact CG1-CZ 3.46Å; V81-F135 HydrophobicContact CG2-CE2 4.01Å; V81-F135 HydrophobicContact CG2-CZ 4.18Å
82	M	56.5	Low	44.2	Very low	10 Å²	10	82.2 Å²	82.2	5%	0.049	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.3	177.2	-72.4	-169.9	75.8	0	0	109.5	F86 I91 L99 I100 V102	M82-F86 HydrophobicContact CB-CD2 4.03Å; M82-F86 HydrophobicContact CB-CE2 3.48Å; M82-F86 VanDerWaalsContact CB-CE2 3.48Å; M82-F86 HydrophobicContact CB-CZ 4.19Å; M82-F86 HydrophobicContact CE-CB 3.81Å; M82-F86 HydrophobicContact CE-CD1 3.77Å; M82-F86 HydrophobicContact CE-CD2 3.31Å; M82-F86 HydrophobicContact CE-CE1 4.15Å; M82-F86 HydrophobicContact CE-CE2 3.69Å; M82-F86 HydrophobicContact CE-CG 3.32Å; M82-F86 HydrophobicContact CE-CZ 4.12Å; M82-F86 HydrophobicContact CG-CE2 4.09Å; M82-F86 HydrophobicContact CG-CZ 4.44Å; M82-I91 HydrophobicContact CE-CB 4.45Å; M82-I91 HydrophobicContact CE-CG1 3.64Å; M82-I91 HydrophobicContact SD-CG1 4.32Å; M82-L99 HydrophobicContact CB-CD1 4.37Å; M82-L99 HydrophobicContact CG-CD1 3.74Å; M82-L99 HydrophobicContact SD-CD1 3.55Å; M82-L99 VanDerWaalsContact SD-CD1 3.55Å; M82-L99 HydrophobicContact SD-CD2 4.48Å; M82-I100 PolarHBondContact N-O 2.66Å; M82-V102 PolarHBondContact O-N 3.21Å
83	W	52.6	Low	45.2	Very low	124 Å²	124	79.6 Å²	79.6	47%	0.47	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	112.7	172.2	-162.7	-78.5	0	0	0	114.6	N85 F86 V102 I132 F135	W83-N85 VanDerWaalsContact C-N 3.29Å; W83-N85 PolarHBondContact O-N 2.96Å; W83-F86 HydrophobicContact CB-CZ 4.49Å; W83-F86 WeakPolarHBondContact O-CE2 3.31Å; W83-F86 VanDerWaalsContact O-CZ 3.31Å; W83-F86 WeakPolarHBondContact O-CZ 3.5Å; W83-V102 HydrophobicContact CE3-CG1 4.34Å; W83-V102 HydrophobicContact CZ3-CG1 4.41Å; W83-I132 HydrophobicContact CH2-CD1 3.64Å; W83-I132 HydrophobicContact CH2-CG1 3.88Å; W83-I132 HydrophobicContact CZ2-CD1 3.33Å; W83-I132 HydrophobicContact CZ2-CG1 4.07Å; W83-F135 HydrophobicContact CZ3-CD1 4.2Å; W83-F135 HydrophobicContact CZ3-CE1 4.2Å
84	N	50.9	Low	46.3	Very low	47 Å²	47	76.8 Å²	76.8	25%	0.251	44%	0.437	S	S	.	.	S	Bend	trans	30.7	-16.9	158.7	-120.4	16.1	0	0	0	125.7	V102 Y103 D104 K110	N84-V102 PolarHBondContact N-O 3.46Å; N84-Y103 WeakPolarHBondContact OD1-CA 3.3Å; N84-D104 VanDerWaalsContact ND2-CB 3.3Å; N84-D104 WeakPolarHBondContact ND2-CB 3.38Å; N84-D104 PolarHBondContact ND2-N 3.07Å; N84-D104 PolarHBondContact OD1-N 3.33Å; N84-K110 PolarHBondContact ND2-NZ 3.22Å; N84-K110 VanDerWaalsContact ND2-NZ 3.11Å; N84-K110 PolarHBondContact OD1-NZ 3.4Å
85	N	45.8	Very low	47.4	Very low	144 Å²	144	77.6 Å²	77.6	77%	0.77	43%	0.433	S	S	*	.			trans	-131.5	72.5	-172.7	-86.6	0.4	0	0	0	111.3	W83	W83-N85 VanDerWaalsContact C-N 3.29Å; W83-N85 PolarHBondContact O-N 2.96Å
86	F	48.9	Very low	48.5	Very low	92 Å²	92	72.2 Å²	72.2	40%	0.404	40%	0.395	S	S	.	.			trans	-127.5	147.6	176.2	-56.6	-75.1	0	0	0	113.8	M82 W83 E90 I91	M82-F86 HydrophobicContact CB-CD2 4.03Å; M82-F86 HydrophobicContact CB-CE2 3.48Å; M82-F86 VanDerWaalsContact CB-CE2 3.48Å; M82-F86 HydrophobicContact CB-CZ 4.19Å; M82-F86 HydrophobicContact CE-CB 3.81Å; M82-F86 HydrophobicContact CE-CD1 3.77Å; M82-F86 HydrophobicContact CE-CD2 3.31Å; M82-F86 HydrophobicContact CE-CE1 4.15Å; M82-F86 HydrophobicContact CE-CE2 3.69Å; M82-F86 HydrophobicContact CE-CG 3.32Å; M82-F86 HydrophobicContact CE-CZ 4.12Å; M82-F86 HydrophobicContact CG-CE2 4.09Å; M82-F86 HydrophobicContact CG-CZ 4.44Å; W83-F86 HydrophobicContact CB-CZ 4.49Å; W83-F86 WeakPolarHBondContact O-CE2 3.31Å; W83-F86 VanDerWaalsContact O-CZ 3.31Å; W83-F86 WeakPolarHBondContact O-CZ 3.5Å; F86-E90 HydrophobicContact CD1-CB 4.42Å; F86-E90 WeakPolarHBondContact CD1-OE2 3.28Å; F86-I91 HydrophobicContact CB-CG1 4.36Å
87	S	46.2	Very low	49.1	Very low	58 Å²	58	74.5 Å²	74.5	41%	0.406	40%	0.397	S	S	.	.			trans	-80.5	148.5	167.5	61	0	0	0	0	110.3	I89 E90	S87-I89 PolarHBondContact O-N 2.89Å; S87-E90 PolarHBondContact N-OE2 2.63Å; S87-E90 VanDerWaalsContact N-OE2 3.09Å; S87-E90 PolarHBondContact O-N 2.97Å; S87-E90 PolarHBondContact OG-OE2 3.43Å
88	D	45.7	Very low	49.8	Very low	81 Å²	81	71.7 Å²	71.7	43%	0.433	38%	0.383	S	S	.	.	H	α-helix	trans	-52.8	-27.6	179.5	-63.9	-44.9	0	0	0	112.8	S117	D88-S117 PolarHBondContact OD1-OG 2.84Å
89	I	48.8	Very low	50.6	Low	138 Å²	138	69.4 Å²	69.4	71%	0.708	36%	0.363	S	S	*	.	H	α-helix	trans	-69.9	-38.1	-178.7	-59	170.7	0	0	0	112	S87 I91 L92 S93	S87-I89 PolarHBondContact O-N 2.89Å; I89-I91 VanDerWaalsContact C-N 3.31Å; I89-I91 PolarHBondContact O-N 3.27Å; I89-L92 PolarHBondContact O-N 3.01Å; I89-S93 PolarHBondContact O-N 2.86Å
90	E	50.6	Low	51.3	Low	87 Å²	87	68 Å²	68	41%	0.407	36%	0.356	S	S	.	.	H	α-helix	trans	-69.3	-33.7	-179.1	-73.2	165.1	136.9	0	0	111.2	F86 S87 L92 S93	F86-E90 HydrophobicContact CD1-CB 4.42Å; F86-E90 WeakPolarHBondContact CD1-OE2 3.28Å; S87-E90 PolarHBondContact N-OE2 2.63Å; S87-E90 VanDerWaalsContact N-OE2 3.09Å; S87-E90 PolarHBondContact O-N 2.97Å; S87-E90 PolarHBondContact OG-OE2 3.43Å; E90-L92 VanDerWaalsContact C-N 3.35Å; E90-L92 PolarHBondContact O-N 3.46Å; E90-S93 PolarHBondContact O-N 3.22Å; E90-S93 PolarHBondContact O-OG 3.34Å
91	I	46.4	Very low	51.9	Low	21 Å²	21	67.8 Å²	67.8	11%	0.108	35%	0.352	C	S	.	.	H	α-helix	trans	-69.9	-34	-178.4	-53	171	0	0	0	111.9	M82 F86 I89 S93 L99 L122 R125	M82-I91 HydrophobicContact CE-CB 4.45Å; M82-I91 HydrophobicContact CE-CG1 3.64Å; M82-I91 HydrophobicContact SD-CG1 4.32Å; F86-I91 HydrophobicContact CB-CG1 4.36Å; I89-I91 VanDerWaalsContact C-N 3.31Å; I89-I91 PolarHBondContact O-N 3.27Å; I91-S93 VanDerWaalsContact C-N 3.32Å; I91-L99 HydrophobicContact CG2-CD2 4.44Å; I91-L122 HydrophobicContact CB-CD1 4.09Å; I91-L122 HydrophobicContact CB-CG 4.48Å; I91-L122 HydrophobicContact CD1-CD1 3.81Å; I91-L122 HydrophobicContact CG2-CD1 3.5Å; I91-L122 HydrophobicContact CG2-CD2 3.29Å; I91-L122 HydrophobicContact CG2-CG 3.45Å; I91-L122 VanDerWaalsContact CG2-CG 3.45Å; I91-R125 PolarHBondContact O-NH1 3.22Å
92	L	46.5	Very low	52.4	Low	94 Å²	94	65.9 Å²	65.9	49%	0.492	34%	0.341	S	S	.	.	H	α-helix	trans	-72.2	-26.2	175.8	-71.4	166.2	0	0	0	112.6	I89 E90 E121	I89-L92 PolarHBondContact O-N 3.01Å; E90-L92 VanDerWaalsContact C-N 3.35Å; E90-L92 PolarHBondContact O-N 3.46Å; L92-E121 HydrophobicContact CD2-CB 4.3Å; L92-E121 WeakPolarHBondContact CD2-OE2 3.38Å
93	S	48.7	Very low	52.6	Low	94 Å²	94	66.8 Å²	66.8	66%	0.657	34%	0.344	S	S	*	.	H	α-helix	trans	-75.3	-24.4	-176.4	76.8	0	0	0	0	114.2	I89 E90 I91	I89-S93 PolarHBondContact O-N 2.86Å; E90-S93 PolarHBondContact O-N 3.22Å; E90-S93 PolarHBondContact O-OG 3.34Å; I91-S93 VanDerWaalsContact C-N 3.32Å
94	I	50.8	Low	52.8	Low	64 Å²	64	65 Å²	65	33%	0.328	34%	0.344	S	S	.	.			trans	-102.3	126.5	-177.6	-48.2	177	0	0	0	107.3	S80 P96 R125	S80-I94 VanDerWaalsContact OG-CG2 3.31Å; S80-I94 WeakPolarHBondContact OG-CG2 3.29Å; I94-P96 HydrophobicContact CG2-CG 4.41Å; I94-P96 WeakPolarHBondContact O-CD 3.35Å; I94-R125 PolarHBondContact O-NH1 2.95Å
95	N	48.1	Very low	53.3	Low	136 Å²	136	64.7 Å²	64.7	73%	0.727	35%	0.352	S	S	*	.			trans	-109.9	65.3	178.8	-168.9	17.2	0	0	0	111.3
96	P	52.3	Low	53.7	Low	7 Å²	7	65.1 Å²	65.1	5%	0.045	35%	0.35	C	S	.	.			trans	-78.2	149.4	179	34.8	-33.1	0	0	0	110.9	A78 S80 I94 L98 L99	A78-P96 WeakPolarHBondContact O-CB 3.18Å; S80-P96 WeakPolarHBondContact OG-CB 3.15Å; I94-P96 HydrophobicContact CG2-CG 4.41Å; I94-P96 WeakPolarHBondContact O-CD 3.35Å; P96-L98 VanDerWaalsContact C-N 3.32Å; P96-L99 HydrophobicContact CG-CB 4.01Å; P96-L99 HydrophobicContact CG-CD1 4.03Å
97	Q	52.3	Low	53.7	Low	118 Å²	118	61.7 Å²	61.7	55%	0.551	34%	0.335	S	S	*	.	S	Bend	trans	-75.3	-25.4	170	-74.8	-179.7	-48.6	0	0	111.7	L77 A78	L77-Q97 VanDerWaalsContact CD1-OE1 3.32Å; L77-Q97 HydrophobicContact CD2-CB 3.71Å; L77-Q97 HydrophobicContact CG-CB 3.65Å; L77-Q97 HydrophobicContact CG-CG 4.33Å; A78-Q97 PolarHBondContact O-N 2.68Å
98	L	57.3	Low	53.7	Low	19 Å²	19	65.2 Å²	65.2	10%	0.099	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	120.9	170.1	178.9	74.1	0	0	0	109.6	M58 A78 I79 S80 P96 I100 F126 L128	M58-L98 HydrophobicContact CE-CD2 4.26Å; M58-L98 HydrophobicContact SD-CD2 3.67Å; A78-L98 PolarHBondContact O-N 3.31Å; I79-L98 WeakPolarHBondContact CA-O 3.2Å; I79-L98 HydrophobicContact CD1-CD2 4.45Å; I79-L98 HydrophobicContact CG1-CB 4.36Å; I79-L98 HydrophobicContact CG1-CD2 4.21Å; I79-L98 HydrophobicContact CG2-CD2 4.26Å; S80-L98 PolarHBondContact N-O 2.89Å; P96-L98 VanDerWaalsContact C-N 3.32Å; L98-I100 HydrophobicContact CD2-CD1 4.21Å; L98-I100 HydrophobicContact CD2-CG1 4.07Å; L98-I100 HydrophobicContact CG-CG1 4.25Å; L98-F126 HydrophobicContact CD1-CB 4.11Å; L98-L128 HydrophobicContact CD1-CB 4.35Å
99	L	61.9	Low	53.8	Low	3 Å²	3	64.4 Å²	64.4	2%	0.016	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	114.6	174.6	-177.7	64.9	0	0	0	110	M82 I91 P96 I101 L122 F126 N127 L128	M82-L99 HydrophobicContact CB-CD1 4.37Å; M82-L99 HydrophobicContact CG-CD1 3.74Å; M82-L99 HydrophobicContact SD-CD1 3.55Å; M82-L99 VanDerWaalsContact SD-CD1 3.55Å; M82-L99 HydrophobicContact SD-CD2 4.48Å; I91-L99 HydrophobicContact CG2-CD2 4.44Å; P96-L99 HydrophobicContact CG-CB 4.01Å; P96-L99 HydrophobicContact CG-CD1 4.03Å; L99-I101 HydrophobicContact CD2-CD1 4Å; L99-I101 HydrophobicContact CD2-CG1 4.08Å; L99-I101 HydrophobicContact CG-CD1 4.43Å; L99-I101 HydrophobicContact CG-CG1 4.01Å; L99-L122 HydrophobicContact CD2-CD2 3.76Å; L99-F126 PolarHBondContact N-O 2.87Å; L99-N127 WeakPolarHBondContact CB-OD1 3.08Å; L99-N127 WeakPolarHBondContact CD2-OD1 3.45Å; L99-N127 CarbonylContact O-C 3.59Å; L99-N127 WeakPolarHBondContact O-CA 3.44Å; L99-L128 PolarHBondContact O-N 3.43Å
100	I	64.8	Low	53.8	Low	20 Å²	20	61.3 Å²	61.3	10%	0.103	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	114.7	173.8	-57.2	-180	0	0	0	108.4	I79 S80 V81 M82 L98 V102 L128 L130	I79-I100 HydrophobicContact CG2-CD1 3.69Å; I79-I100 HydrophobicContact CG2-CG1 4.08Å; S80-I100 PolarHBondContact O-N 2.84Å; V81-I100 CarbonylContact C-O 3.5Å; V81-I100 WeakPolarHBondContact CA-O 2.85Å; V81-I100 HydrophobicContact CG2-CB 4.16Å; V81-I100 HydrophobicContact CG2-CD1 4.28Å; M82-I100 PolarHBondContact N-O 2.66Å; L98-I100 HydrophobicContact CD2-CD1 4.21Å; L98-I100 HydrophobicContact CD2-CG1 4.07Å; L98-I100 HydrophobicContact CG-CG1 4.25Å; I100-V102 HydrophobicContact CG2-CG2 4.3Å; I100-L128 CarbonylContact C-O 3.54Å; I100-L128 VanDerWaalsContact CA-O 3.32Å; I100-L128 WeakPolarHBondContact CA-O 3.34Å; I100-L128 HydrophobicContact CD1-CD2 4.31Å; I100-L128 HydrophobicContact CG1-CB 4.28Å; I100-L128 HydrophobicContact CG1-CD2 4.08Å; I100-L130 HydrophobicContact CG2-CD1 3.7Å; I100-L130 HydrophobicContact CG2-CG 4.22Å
101	I	63	Low	53.8	Low	24 Å²	24	58.4 Å²	58.4	12%	0.123	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	110.6	177.1	-60.4	174.1	0	0	0	108	L99 M114 L128 F129 L130	L99-I101 HydrophobicContact CD2-CD1 4Å; L99-I101 HydrophobicContact CD2-CG1 4.08Å; L99-I101 HydrophobicContact CG-CD1 4.43Å; L99-I101 HydrophobicContact CG-CG1 4.01Å; I101-M114 HydrophobicContact CD1-CE 4.32Å; I101-M114 HydrophobicContact CD1-SD 4.48Å; I101-L128 PolarHBondContact N-O 3.23Å; I101-F129 HydrophobicContact CB-CD1 3.7Å; I101-F129 HydrophobicContact CB-CE1 3.93Å; I101-F129 HydrophobicContact CB-CG 4.45Å; I101-F129 HydrophobicContact CD1-CD1 4.15Å; I101-F129 HydrophobicContact CD1-CE1 3.46Å; I101-F129 VanDerWaalsContact CD1-CE1 3.46Å; I101-F129 HydrophobicContact CD1-CZ 3.78Å; I101-F129 HydrophobicContact CG1-CD1 4.47Å; I101-F129 HydrophobicContact CG1-CE1 4.25Å; I101-F129 HydrophobicContact CG2-CD1 3.81Å; I101-F129 HydrophobicContact CG2-CE1 3.96Å; I101-F129 WeakPolarHBondContact O-CA 3.43Å; I101-L130 PolarHBondContact O-N 2.88Å
102	V	62.6	Low	53.6	Low	2 Å²	2	63.3 Å²	63.3	1%	0.012	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	118.3	175.4	-175.5	0	0	0	0	108.4	V81 M82 W83 N84 I100 L130 I132 F135	V81-V102 HydrophobicContact CG1-CG2 3.66Å; M82-V102 PolarHBondContact O-N 3.21Å; W83-V102 HydrophobicContact CE3-CG1 4.34Å; W83-V102 HydrophobicContact CZ3-CG1 4.41Å; N84-V102 PolarHBondContact N-O 3.46Å; I100-V102 HydrophobicContact CG2-CG2 4.3Å; V102-L130 WeakPolarHBondContact CA-O 3.36Å; V102-I132 HydrophobicContact CG1-CB 4.3Å; V102-I132 HydrophobicContact CG1-CG1 4.48Å; V102-F135 HydrophobicContact CB-CG 4.43Å; V102-F135 HydrophobicContact CG1-CB 3.87Å; V102-F135 HydrophobicContact CG1-CD1 4.11Å; V102-F135 HydrophobicContact CG1-CG 4.04Å; V102-F135 HydrophobicContact CG2-CB 3.98Å; V102-F135 HydrophobicContact CG2-CD1 3.82Å; V102-F135 HydrophobicContact CG2-CD2 3.47Å; V102-F135 VanDerWaalsContact CG2-CD2 3.47Å; V102-F135 HydrophobicContact CG2-CE1 4.11Å; V102-F135 HydrophobicContact CG2-CE2 3.81Å; V102-F135 HydrophobicContact CG2-CG 3.46Å; V102-F135 VanDerWaalsContact CG2-CG 3.46Å; V102-F135 HydrophobicContact CG2-CZ 4.11Å
103	Y	60.3	Low	53.9	Low	29 Å²	29	63.3 Å²	63.3	11%	0.114	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	146.5	-179.2	73.7	-86.6	0	0	0	112	N84 G105 L107 F129 L130 H131 I132	N84-Y103 WeakPolarHBondContact OD1-CA 3.3Å; Y103-G105 WeakPolarHBondContact CD2-O 3.44Å; Y103-G105 VanDerWaalsContact CE2-O 3.26Å; Y103-G105 WeakPolarHBondContact CE2-O 3.48Å; Y103-L107 HydrophobicContact CD1-CD1 3.79Å; Y103-L107 HydrophobicContact CD2-CB 4.42Å; Y103-L107 HydrophobicContact CD2-CD1 4.33Å; Y103-L107 HydrophobicContact CE1-CD1 3.84Å; Y103-L107 HydrophobicContact CE2-CB 3.97Å; Y103-L107 HydrophobicContact CE2-CD1 4.38Å; Y103-L107 HydrophobicContact CG-CD1 4.04Å; Y103-F129 HydrophobicContact CD1-CB 4.2Å; Y103-F129 HydrophobicContact CE1-CB 4.16Å; Y103-L130 WeakPolarHBondContact CD1-O 3.27Å; Y103-L130 VanDerWaalsContact CE1-C 3.47Å; Y103-L130 PolarHBondContact N-O 3.36Å; Y103-H131 HydrophobicContact CE1-CB 4.42Å; Y103-H131 HydrophobicContact CE2-CB 4.46Å; Y103-H131 AromaticContact CE2-CD2 3.72Å; Y103-H131 CarbonylContact O-C 3.48Å; Y103-H131 WeakPolarHBondContact O-CA 3.23Å; Y103-I132 PolarHBondContact O-N 2.77Å
104	D	57.7	Low	54	Low	86 Å²	86	60.4 Å²	60.4	46%	0.46	32%	0.319	S	S	.	.			trans	-115	134.4	166.7	-173.7	13.4	0	0	0	108.5	N84 K110 I132	N84-D104 VanDerWaalsContact ND2-CB 3.3Å; N84-D104 WeakPolarHBondContact ND2-CB 3.38Å; N84-D104 PolarHBondContact ND2-N 3.07Å; N84-D104 PolarHBondContact OD1-N 3.33Å; D104-K110 PolarHBondContact O-NZ 3.16Å; D104-I132 HydrophobicContact CB-CG2 4.28Å
105	G	61.1	Low	54	Low	42 Å²	42	61 Å²	61	43%	0.433	32%	0.322	S	S	.	.	S	Bend	trans	90.5	-161	-177.1	0	0	0	0	0	116.2	Y103 L107	Y103-G105 WeakPolarHBondContact CD2-O 3.44Å; Y103-G105 VanDerWaalsContact CE2-O 3.26Å; Y103-G105 WeakPolarHBondContact CE2-O 3.48Å; G105-L107 PolarHBondContact O-N 3.31Å
106	E	53.2	Low	54	Low	153 Å²	153	60 Å²	60	72%	0.715	31%	0.314	S	S	*	.			trans	-72.3	120	-178	-74.5	-173.1	169.4	0	0	112.5	N108 S109	E106-N108 VanDerWaalsContact C-N 3.28Å; E106-N108 PolarHBondContact O-N 3.5Å; E106-S109 PolarHBondContact O-OG 3.27Å; E106-S109 VanDerWaalsContact O-OG 3.1Å
107	L	49.2	Very low	53.8	Low	20 Å²	20	61.6 Å²	61.6	11%	0.105	33%	0.325	C	S	.	.	H	α-helix	trans	-59.5	-35.4	178.6	-174.2	67.6	0	0	0	112.8	F41 Y103 G105 S109 K110 L111 F129	F41-L107 HydrophobicContact CB-CD2 4.37Å; F41-L107 HydrophobicContact CD1-CD2 4.25Å; F41-L107 HydrophobicContact CD2-CD2 3.37Å; F41-L107 HydrophobicContact CE1-CD2 4.4Å; F41-L107 HydrophobicContact CE2-CD2 3.57Å; F41-L107 HydrophobicContact CG-CD2 3.74Å; F41-L107 HydrophobicContact CZ-CD2 4.08Å; Y103-L107 HydrophobicContact CD1-CD1 3.79Å; Y103-L107 HydrophobicContact CD2-CB 4.42Å; Y103-L107 HydrophobicContact CD2-CD1 4.33Å; Y103-L107 HydrophobicContact CE1-CD1 3.84Å; Y103-L107 HydrophobicContact CE2-CB 3.97Å; Y103-L107 HydrophobicContact CE2-CD1 4.38Å; Y103-L107 HydrophobicContact CG-CD1 4.04Å; G105-L107 PolarHBondContact O-N 3.31Å; L107-S109 PolarHBondContact O-N 3Å; L107-K110 PolarHBondContact O-N 3.38Å; L107-L111 HydrophobicContact CD1-CD1 4.01Å; L107-L111 HydrophobicContact CD2-CD1 4.21Å; L107-L111 HydrophobicContact CG-CD1 3.88Å; L107-L111 WeakPolarHBondContact O-CB 3.15Å; L107-L111 PolarHBondContact O-N 2.85Å; L107-F129 HydrophobicContact CD1-CB 4.15Å; L107-F129 HydrophobicContact CD1-CD1 3.86Å; L107-F129 HydrophobicContact CD1-CG 4.15Å
108	N	46	Very low	53.4	Low	131 Å²	131	62.8 Å²	62.8	70%	0.701	33%	0.33	S	S	*	.	H	α-helix	trans	-65.2	-38.6	-172.5	-79.3	-15.8	0	0	0	113.9	E106 K110 K112	E106-N108 VanDerWaalsContact C-N 3.28Å; E106-N108 PolarHBondContact O-N 3.5Å; N108-K110 VanDerWaalsContact C-N 3.32Å; N108-K112 WeakPolarHBondContact O-CB 3.11Å; N108-K112 PolarHBondContact O-N 3.28Å; N108-K112 VanDerWaalsContact O-N 3.13Å
109	S	48.8	Very low	53.2	Low	65 Å²	65	62.9 Å²	62.9	46%	0.455	33%	0.333	S	S	.	.	H	α-helix	trans	-66.9	-37.8	178.8	59.6	0	0	0	0	111.1	E106 L107 V113	E106-S109 PolarHBondContact O-OG 3.27Å; E106-S109 VanDerWaalsContact O-OG 3.1Å; L107-S109 PolarHBondContact O-N 3Å; S109-V113 WeakPolarHBondContact O-CG2 3.41Å; S109-V113 PolarHBondContact O-N 3.46Å
110	K	47.4	Very low	52.6	Low	73 Å²	73	69.7 Å²	69.7	32%	0.317	36%	0.359	S	S	.	.	H	α-helix	trans	-76.5	-40.5	179.6	-72.5	179	173.8	172.5	0	113.3	N84 D104 L107 N108 K112 V113 M114	N84-K110 PolarHBondContact ND2-NZ 3.22Å; N84-K110 VanDerWaalsContact ND2-NZ 3.11Å; N84-K110 PolarHBondContact OD1-NZ 3.4Å; D104-K110 PolarHBondContact O-NZ 3.16Å; L107-K110 PolarHBondContact O-N 3.38Å; N108-K110 VanDerWaalsContact C-N 3.32Å; K110-K112 PolarHBondContact O-N 2.97Å; K110-V113 PolarHBondContact O-N 3.05Å; K110-M114 PolarHBondContact O-N 3.44Å
111	L	50.8	Low	52	Low	25 Å²	25	74.9 Å²	74.9	13%	0.131	38%	0.383	C	S	.	.	H	α-helix	trans	-62.6	-36	175	-134.9	115.1	0	0	0	110.8	L107 M114 I115 F129	L107-L111 HydrophobicContact CD1-CD1 4.01Å; L107-L111 HydrophobicContact CD2-CD1 4.21Å; L107-L111 HydrophobicContact CG-CD1 3.88Å; L107-L111 WeakPolarHBondContact O-CB 3.15Å; L107-L111 PolarHBondContact O-N 2.85Å; L111-M114 PolarHBondContact O-N 3.36Å; L111-I115 HydrophobicContact CD2-CD1 3.93Å; L111-I115 VanDerWaalsContact O-CG1 3.25Å; L111-I115 WeakPolarHBondContact O-CG1 3.47Å; L111-I115 PolarHBondContact O-N 3.5Å; L111-F129 HydrophobicContact CD1-CE1 4.33Å; L111-F129 HydrophobicContact CD1-CE2 4.43Å; L111-F129 HydrophobicContact CD1-CZ 4.19Å
112	K	43.4	Very low	51.4	Low	125 Å²	125	74 Å²	74	54%	0.543	38%	0.378	S	S	.	.	H	α-helix	trans	-62.6	-47.6	174.5	-175.3	176.8	173.2	-176.7	0	112	N108 K110 M114 I115 E116	N108-K112 WeakPolarHBondContact O-CB 3.11Å; N108-K112 PolarHBondContact O-N 3.28Å; N108-K112 VanDerWaalsContact O-N 3.13Å; K110-K112 PolarHBondContact O-N 2.97Å; K112-M114 VanDerWaalsContact C-N 3.31Å; K112-M114 PolarHBondContact O-N 2.74Å; K112-I115 PolarHBondContact O-N 3.47Å; K112-E116 WeakPolarHBondContact CE-OE1 3.49Å; K112-E116 HydrophobicContact CG-CG 4.47Å; K112-E116 IonicContact NZ-OE1 3.62Å; K112-E116 WeakPolarHBondContact O-CB 3.3Å; K112-E116 VanDerWaalsContact O-CG 3.29Å; K112-E116 WeakPolarHBondContact O-CG 3.39Å; K112-E116 PolarHBondContact O-N 2.95Å
113	V	52.1	Low	50.8	Low	94 Å²	94	74.7 Å²	74.7	57%	0.57	38%	0.381	S	S	*	.	H	α-helix	trans	-59.8	-41.7	176.1	173.6	0	0	0	0	111.5	S109 K110 E116 S117	S109-V113 WeakPolarHBondContact O-CG2 3.41Å; S109-V113 PolarHBondContact O-N 3.46Å; K110-V113 PolarHBondContact O-N 3.05Å; V113-E116 PolarHBondContact O-N 2.94Å; V113-S117 PolarHBondContact O-N 3.36Å
114	M	51.2	Low	50.1	Low	32 Å²	32	77.2 Å²	77.2	16%	0.158	40%	0.4	C	S	.	.	H	α-helix	trans	-70.9	-30.9	-178.6	-153	-175.4	-59.4	0	0	113.3	I101 K110 L111 K112 S117 F123 F129	I101-M114 HydrophobicContact CD1-CE 4.32Å; I101-M114 HydrophobicContact CD1-SD 4.48Å; K110-M114 PolarHBondContact O-N 3.44Å; L111-M114 PolarHBondContact O-N 3.36Å; K112-M114 VanDerWaalsContact C-N 3.31Å; K112-M114 PolarHBondContact O-N 2.74Å; M114-S117 PolarHBondContact O-OG 3.38Å; M114-F123 HydrophobicContact CG-CZ 4.5Å; M114-F129 HydrophobicContact CE-CE1 4.12Å
115	I	50.1	Low	50	Low	77 Å²	77	75.1 Å²	75.1	40%	0.395	39%	0.386	S	S	.	.	H	α-helix	trans	-74.6	-37.9	171.7	-68.7	168.1	0	0	0	110.3	L111 K112 W120 F123	L111-I115 HydrophobicContact CD2-CD1 3.93Å; L111-I115 VanDerWaalsContact O-CG1 3.25Å; L111-I115 WeakPolarHBondContact O-CG1 3.47Å; L111-I115 PolarHBondContact O-N 3.5Å; K112-I115 PolarHBondContact O-N 3.47Å; I115-W120 HydrophobicContact CG2-CH2 4.49Å; I115-F123 HydrophobicContact CG1-CE2 4.25Å; I115-F123 HydrophobicContact CG1-CZ 3.84Å
116	E	47.8	Very low	49.7	Very low	116 Å²	116	76.7 Å²	76.7	54%	0.542	38%	0.38	S	S	.	.	H	α-helix	trans	-70.5	-28.9	179	-74.5	173.8	174.6	0	0	112.7	K112 V113 H118	K112-E116 WeakPolarHBondContact CE-OE1 3.49Å; K112-E116 HydrophobicContact CG-CG 4.47Å; K112-E116 IonicContact NZ-OE1 3.62Å; K112-E116 WeakPolarHBondContact O-CB 3.3Å; K112-E116 VanDerWaalsContact O-CG 3.29Å; K112-E116 WeakPolarHBondContact O-CG 3.39Å; K112-E116 PolarHBondContact O-N 2.95Å; V113-E116 PolarHBondContact O-N 2.94Å; E116-H118 PolarHBondContact O-N 3.29Å; E116-H118 VanDerWaalsContact O-N 3.12Å; E116-H118 PolarHBondContact O-ND1 3.48Å
117	S	50	Low	49.9	Very low	40 Å²	40	69.5 Å²	69.5	28%	0.28	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	6.6	179.4	70.1	0	0	0	0	115.4	D88 V113 M114 A119	D88-S117 PolarHBondContact OD1-OG 2.84Å; V113-S117 PolarHBondContact O-N 3.36Å; M114-S117 PolarHBondContact O-OG 3.38Å; S117-A119 PolarHBondContact O-N 3.14Å; S117-A119 VanDerWaalsContact O-N 3.08Å
118	H	43.6	Very low	50.6	Low	143 Å²	143	68.8 Å²	68.8	66%	0.662	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	21.3	177.2	-72	58.1	0	0	0	114.6	E116 W120	E116-H118 PolarHBondContact O-N 3.29Å; E116-H118 VanDerWaalsContact O-N 3.12Å; E116-H118 PolarHBondContact O-ND1 3.48Å; H118-W120 PolarHBondContact O-N 3.13Å
119	A	52.2	Low	51.4	Low	20 Å²	20	62.7 Å²	62.7	17%	0.165	31%	0.311	C	S	.	.			trans	-76.2	58.8	175	0	0	0	0	0	111.5	S117 E121 L122 F123	S117-A119 PolarHBondContact O-N 3.14Å; S117-A119 VanDerWaalsContact O-N 3.08Å; A119-E121 PolarHBondContact O-N 3.01Å; A119-L122 HydrophobicContact CB-CB 4.12Å; A119-L122 HydrophobicContact CB-CD1 3.62Å; A119-L122 HydrophobicContact CB-CG 4.44Å; A119-L122 WeakPolarHBondContact O-CB 3.48Å; A119-L122 PolarHBondContact O-N 3.37Å; A119-F123 WeakPolarHBondContact O-CD2 3.14Å
120	W	50.2	Low	52.1	Low	146 Å²	146	59.8 Å²	59.8	55%	0.553	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-62.6	-27.5	-179.7	-64	110.7	0	0	0	112.6	I115 H118 L122 F123	I115-W120 HydrophobicContact CG2-CH2 4.49Å; H118-W120 PolarHBondContact O-N 3.13Å; W120-L122 PolarHBondContact O-N 2.96Å; W120-F123 HydrophobicContact CE3-CD2 4.26Å; W120-F123 PolarHBondContact O-N 3.45Å
121	E	51.1	Low	52.9	Low	129 Å²	129	58.4 Å²	58.4	60%	0.603	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-67.4	-18.7	174.2	-62.5	-169.2	171.6	0	0	113.7	L92 A119 T124	L92-E121 HydrophobicContact CD2-CB 4.3Å; L92-E121 WeakPolarHBondContact CD2-OE2 3.38Å; A119-E121 PolarHBondContact O-N 3.01Å; E121-T124 PolarHBondContact O-OG1 3.08Å
122	L	50.2	Low	53.5	Low	6 Å²	6	58.5 Å²	58.5	3%	0.031	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-74.1	-32	174.5	-113	159.3	0	0	0	111.3	I91 L99 A119 W120 T124 R125 N127	I91-L122 HydrophobicContact CB-CD1 4.09Å; I91-L122 HydrophobicContact CB-CG 4.48Å; I91-L122 HydrophobicContact CD1-CD1 3.81Å; I91-L122 HydrophobicContact CG2-CD1 3.5Å; I91-L122 HydrophobicContact CG2-CD2 3.29Å; I91-L122 HydrophobicContact CG2-CG 3.45Å; I91-L122 VanDerWaalsContact CG2-CG 3.45Å; L99-L122 HydrophobicContact CD2-CD2 3.76Å; A119-L122 HydrophobicContact CB-CB 4.12Å; A119-L122 HydrophobicContact CB-CD1 3.62Å; A119-L122 HydrophobicContact CB-CG 4.44Å; A119-L122 WeakPolarHBondContact O-CB 3.48Å; A119-L122 PolarHBondContact O-N 3.37Å; W120-L122 PolarHBondContact O-N 2.96Å; L122-T124 VanDerWaalsContact C-N 3.34Å; L122-R125 PolarHBondContact O-N 3.17Å; L122-N127 PolarHBondContact O-ND2 3.32Å
123	F	51	Low	54.4	Low	16 Å²	16	57.5 Å²	57.5	7%	0.07	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-2.8	-178.2	-63.5	-70.5	0	0	0	114	I43 M114 I115 A119 W120 R125	I43-F123 HydrophobicContact CB-CD1 4.41Å; I43-F123 HydrophobicContact CD1-CD1 3.76Å; I43-F123 HydrophobicContact CD1-CE1 3.5Å; I43-F123 HydrophobicContact CG2-CD1 3.91Å; M114-F123 HydrophobicContact CG-CZ 4.5Å; I115-F123 HydrophobicContact CG1-CE2 4.25Å; I115-F123 HydrophobicContact CG1-CZ 3.84Å; A119-F123 WeakPolarHBondContact O-CD2 3.14Å; W120-F123 HydrophobicContact CE3-CD2 4.26Å; W120-F123 PolarHBondContact O-N 3.45Å; F123-R125 PolarHBondContact O-N 3.47Å
124	T	46.4	Very low	55	Low	83 Å²	83	54.8 Å²	54.8	51%	0.509	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-5.9	168.4	66	0	0	0	0	112.2	E121 L122	E121-T124 PolarHBondContact O-OG1 3.08Å; L122-T124 VanDerWaalsContact C-N 3.34Å
125	R	55.3	Low	55.6	Low	42 Å²	42	54.1 Å²	54.1	16%	0.158	26%	0.263	C	S	.	.	S	Bend	trans	-108.7	154.2	-173.8	-53.9	179.2	-174.9	-173	-4	111.4	I91 I94 L122 F123 N127	I91-R125 PolarHBondContact O-NH1 3.22Å; I94-R125 PolarHBondContact O-NH1 2.95Å; L122-R125 PolarHBondContact O-N 3.17Å; F123-R125 PolarHBondContact O-N 3.47Å; R125-N127 PolarHBondContact O-N 2.89Å; R125-N127 VanDerWaalsContact O-N 3.08Å
126	F	53.5	Low	56.2	Low	74 Å²	74	52.5 Å²	52.5	33%	0.325	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	102.9	169.7	-84.2	-77.8	0	0	0	109.7	L53 L98 L99	L53-F126 HydrophobicContact CD2-CE2 4.19Å; L53-F126 HydrophobicContact CD2-CZ 4.42Å; L98-F126 HydrophobicContact CD1-CB 4.11Å; L99-F126 PolarHBondContact N-O 2.87Å
127	N	58.8	Low	56.9	Low	2 Å²	2	52.2 Å²	52.2	1%	0.011	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	127.1	176.4	-59.5	-39	0	0	0	109.6	Y42 L99 L122 R125 F129	Y42-N127 WeakPolarHBondContact CA-O 3.15Å; L99-N127 WeakPolarHBondContact CB-OD1 3.08Å; L99-N127 WeakPolarHBondContact CD2-OD1 3.45Å; L99-N127 CarbonylContact O-C 3.59Å; L99-N127 WeakPolarHBondContact O-CA 3.44Å; L122-N127 PolarHBondContact O-ND2 3.32Å; R125-N127 PolarHBondContact O-N 2.89Å; R125-N127 VanDerWaalsContact O-N 3.08Å; N127-F129 HydrophobicContact CB-CE2 3.91Å; N127-F129 HydrophobicContact CB-CZ 4.29Å
128	L	63.9	Low	57.5	Low	5 Å²	5	51.4 Å²	51.4	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	114	175.6	-169.9	81.9	0	0	0	108.8	L27 C40 F41 L98 L99 I100 I101 L130 V155	L27-L128 HydrophobicContact CD1-CD1 4.23Å; L27-L128 HydrophobicContact CD1-CD2 3.9Å; L27-L128 HydrophobicContact CD2-CD2 4.47Å; C40-L128 HydrophobicContact CB-CD1 3.31Å; C40-L128 HydrophobicContact CB-CG 3.9Å; C40-L128 WeakPolarHBondContact SG-CD1 3.14Å; F41-L128 WeakPolarHBondContact O-CA 3.28Å; L98-L128 HydrophobicContact CD1-CB 4.35Å; L99-L128 PolarHBondContact O-N 3.43Å; I100-L128 CarbonylContact C-O 3.54Å; I100-L128 VanDerWaalsContact CA-O 3.32Å; I100-L128 WeakPolarHBondContact CA-O 3.34Å; I100-L128 HydrophobicContact CD1-CD2 4.31Å; I100-L128 HydrophobicContact CG1-CB 4.28Å; I100-L128 HydrophobicContact CG1-CD2 4.08Å; I101-L128 PolarHBondContact N-O 3.23Å; L128-L130 HydrophobicContact CD2-CD1 3.97Å; L128-L130 HydrophobicContact CD2-CD2 4.31Å; L128-L130 HydrophobicContact CD2-CG 4.09Å; L128-L130 HydrophobicContact CG-CG 4.36Å; L128-V155 HydrophobicContact CD1-CG2 3.92Å
129	F	62	Low	58.4	Low	4 Å²	4	46.5 Å²	46.5	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	125.2	176.4	-58	-96.7	0	0	0	110.4	F41 I43 I101 Y103 L107 L111 M114 N127	F41-F129 HydrophobicContact CB-CB 4.15Å; F41-F129 HydrophobicContact CB-CD2 4.01Å; F41-F129 HydrophobicContact CB-CG 4.47Å; F41-F129 PolarHBondContact N-O 3.35Å; F41-F129 PolarHBondContact O-N 2.94Å; I43-F129 HydrophobicContact CD1-CE2 4.08Å; I101-F129 HydrophobicContact CB-CD1 3.7Å; I101-F129 HydrophobicContact CB-CE1 3.93Å; I101-F129 HydrophobicContact CB-CG 4.45Å; I101-F129 HydrophobicContact CD1-CD1 4.15Å; I101-F129 HydrophobicContact CD1-CE1 3.46Å; I101-F129 VanDerWaalsContact CD1-CE1 3.46Å; I101-F129 HydrophobicContact CD1-CZ 3.78Å; I101-F129 HydrophobicContact CG1-CD1 4.47Å; I101-F129 HydrophobicContact CG1-CE1 4.25Å; I101-F129 HydrophobicContact CG2-CD1 3.81Å; I101-F129 HydrophobicContact CG2-CE1 3.96Å; I101-F129 WeakPolarHBondContact O-CA 3.43Å; Y103-F129 HydrophobicContact CD1-CB 4.2Å; Y103-F129 HydrophobicContact CE1-CB 4.16Å; L107-F129 HydrophobicContact CD1-CB 4.15Å; L107-F129 HydrophobicContact CD1-CD1 3.86Å; L107-F129 HydrophobicContact CD1-CG 4.15Å; L111-F129 HydrophobicContact CD1-CE1 4.33Å; L111-F129 HydrophobicContact CD1-CE2 4.43Å; L111-F129 HydrophobicContact CD1-CZ 4.19Å; M114-F129 HydrophobicContact CE-CE1 4.12Å; N127-F129 HydrophobicContact CB-CE2 3.91Å; N127-F129 HydrophobicContact CB-CZ 4.29Å
130	L	63.9	Low	58.4	Low	3 Å²	3	53 Å²	53	2%	0.016	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	135.8	177.3	-65	175.8	0	0	0	110.2	L27 C40 I100 I101 V102 Y103 L128 F135 I138	L27-L130 HydrophobicContact CD2-CD1 4.48Å; L27-L130 HydrophobicContact CD2-CD2 4.06Å; C40-L130 HydrophobicContact CB-CD2 4.07Å; I100-L130 HydrophobicContact CG2-CD1 3.7Å; I100-L130 HydrophobicContact CG2-CG 4.22Å; I101-L130 PolarHBondContact O-N 2.88Å; V102-L130 WeakPolarHBondContact CA-O 3.36Å; Y103-L130 WeakPolarHBondContact CD1-O 3.27Å; Y103-L130 VanDerWaalsContact CE1-C 3.47Å; Y103-L130 PolarHBondContact N-O 3.36Å; L128-L130 HydrophobicContact CD2-CD1 3.97Å; L128-L130 HydrophobicContact CD2-CD2 4.31Å; L128-L130 HydrophobicContact CD2-CG 4.09Å; L128-L130 HydrophobicContact CG-CG 4.36Å; L130-F135 HydrophobicContact CB-CB 4.41Å; L130-F135 HydrophobicContact CD1-CD2 4.2Å; L130-I138 HydrophobicContact CD1-CD1 3.99Å
131	H	63.8	Low	58.5	Low	44 Å²	44	47.9 Å²	47.9	20%	0.204	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	148.7	170.5	-170.9	-107.1	0	0	0	109.9	Y103 D133 Q134 F135	Y103-H131 HydrophobicContact CE1-CB 4.42Å; Y103-H131 HydrophobicContact CE2-CB 4.46Å; Y103-H131 AromaticContact CE2-CD2 3.72Å; Y103-H131 CarbonylContact O-C 3.48Å; Y103-H131 WeakPolarHBondContact O-CA 3.23Å; H131-D133 IonicContact CE1-OD2 3.06Å; H131-D133 PolarHBondContact CE1-OD2 3.26Å; H131-D133 PolarHBondContact ND1-N 2.88Å; H131-D133 IonicContact ND1-OD2 3.22Å; H131-D133 PolarHBondContact ND1-OD2 3.25Å; H131-D133 PolarHBondContact O-N 3.21Å; H131-Q134 HydrophobicContact CB-CB 4.41Å; H131-Q134 HydrophobicContact CB-CG 4.04Å; H131-Q134 WeakPolarHBondContact O-CA 3.28Å; H131-Q134 WeakPolarHBondContact O-CB 3.42Å; H131-Q134 PolarHBondContact O-N 2.98Å; H131-F135 PolarHBondContact O-N 3.37Å
132	I	62.5	Low	58.3	Low	28 Å²	28	47.6 Å²	47.6	14%	0.144	23%	0.231	C	C	.	.	H	α-helix	trans	-51.5	-41.1	178.8	-167.9	165.6	0	0	0	112.3	W83 V102 Y103 D104 F135 N136	W83-I132 HydrophobicContact CH2-CD1 3.64Å; W83-I132 HydrophobicContact CH2-CG1 3.88Å; W83-I132 HydrophobicContact CZ2-CD1 3.33Å; W83-I132 HydrophobicContact CZ2-CG1 4.07Å; V102-I132 HydrophobicContact CG1-CB 4.3Å; V102-I132 HydrophobicContact CG1-CG1 4.48Å; Y103-I132 PolarHBondContact O-N 2.77Å; D104-I132 HydrophobicContact CB-CG2 4.28Å; I132-F135 PolarHBondContact O-N 2.94Å; I132-N136 VanDerWaalsContact O-CB 3.22Å; I132-N136 WeakPolarHBondContact O-CB 3.33Å; I132-N136 PolarHBondContact O-N 3.23Å; I132-N136 PolarHBondContact O-ND2 3.45Å
133	D	63	Low	58	Low	103 Å²	103	58.2 Å²	58.2	55%	0.551	27%	0.27	S	S	*	.	H	α-helix	trans	-66.5	-39	177.1	-61.2	-32.3	0	0	0	112.7	H131 N136 E137	H131-D133 IonicContact CE1-OD2 3.06Å; H131-D133 PolarHBondContact CE1-OD2 3.26Å; H131-D133 PolarHBondContact ND1-N 2.88Å; H131-D133 IonicContact ND1-OD2 3.22Å; H131-D133 PolarHBondContact ND1-OD2 3.25Å; H131-D133 PolarHBondContact O-N 3.21Å; D133-N136 PolarHBondContact O-N 2.85Å; D133-E137 WeakPolarHBondContact O-CB 3.43Å; D133-E137 PolarHBondContact O-N 3.03Å
134	Q	63.9	Low	57.5	Low	38 Å²	38	61.4 Å²	61.4	18%	0.178	30%	0.295	C	S	.	.	H	α-helix	trans	-67.8	-42.2	177.7	-65.8	176.4	-40.6	0	0	110.6	R39 H131 E137 I138	R39-Q134 PolarHBondContact O-NE2 3.37Å; R39-Q134 VanDerWaalsContact O-NE2 3.13Å; R39-Q134 PolarHBondContact O-OE1 2.93Å; H131-Q134 HydrophobicContact CB-CB 4.41Å; H131-Q134 HydrophobicContact CB-CG 4.04Å; H131-Q134 WeakPolarHBondContact O-CA 3.28Å; H131-Q134 WeakPolarHBondContact O-CB 3.42Å; H131-Q134 PolarHBondContact O-N 2.98Å; Q134-E137 PolarHBondContact O-N 3.5Å; Q134-I138 WeakPolarHBondContact O-CD1 3.47Å; Q134-I138 WeakPolarHBondContact O-CG1 3.39Å; Q134-I138 PolarHBondContact O-N 2.93Å
135	F	64.7	Low	57	Low	18 Å²	18	69.1 Å²	69.1	8%	0.079	32%	0.316	C	S	.	.	H	α-helix	trans	-64.9	-42.2	176.2	-175.3	-103.2	0	0	0	111.3	V81 W83 V102 L130 H131 I132 E137 I138 I139	V81-F135 HydrophobicContact CB-CE2 4.47Å; V81-F135 HydrophobicContact CB-CZ 4.36Å; V81-F135 HydrophobicContact CG1-CE1 4.3Å; V81-F135 HydrophobicContact CG1-CE2 3.61Å; V81-F135 HydrophobicContact CG1-CZ 3.46Å; V81-F135 VanDerWaalsContact CG1-CZ 3.46Å; V81-F135 HydrophobicContact CG2-CE2 4.01Å; V81-F135 HydrophobicContact CG2-CZ 4.18Å; W83-F135 HydrophobicContact CZ3-CD1 4.2Å; W83-F135 HydrophobicContact CZ3-CE1 4.2Å; V102-F135 HydrophobicContact CB-CG 4.43Å; V102-F135 HydrophobicContact CG1-CB 3.87Å; V102-F135 HydrophobicContact CG1-CD1 4.11Å; V102-F135 HydrophobicContact CG1-CG 4.04Å; V102-F135 HydrophobicContact CG2-CB 3.98Å; V102-F135 HydrophobicContact CG2-CD1 3.82Å; V102-F135 HydrophobicContact CG2-CD2 3.47Å; V102-F135 VanDerWaalsContact CG2-CD2 3.47Å; V102-F135 HydrophobicContact CG2-CE1 4.11Å; V102-F135 HydrophobicContact CG2-CE2 3.81Å; V102-F135 HydrophobicContact CG2-CG 3.46Å; V102-F135 VanDerWaalsContact CG2-CG 3.46Å; V102-F135 HydrophobicContact CG2-CZ 4.11Å; L130-F135 HydrophobicContact CB-CB 4.41Å; L130-F135 HydrophobicContact CD1-CD2 4.2Å; H131-F135 PolarHBondContact O-N 3.37Å; I132-F135 PolarHBondContact O-N 2.94Å; F135-E137 PolarHBondContact O-N 2.91Å; F135-I138 WeakPolarHBondContact O-CB 3.37Å; F135-I138 PolarHBondContact O-N 3.33Å; F135-I139 HydrophobicContact CD1-CD1 4.12Å; F135-I139 HydrophobicContact CD1-CG1 4.42Å; F135-I139 HydrophobicContact CE1-CD1 3.29Å; F135-I139 HydrophobicContact CE1-CG1 4.04Å; F135-I139 HydrophobicContact CE2-CD1 3.86Å; F135-I139 HydrophobicContact CE2-CG1 4.29Å; F135-I139 HydrophobicContact CZ-CD1 3.12Å; F135-I139 HydrophobicContact CZ-CG1 3.96Å; F135-I139 WeakPolarHBondContact O-CG1 3.4Å; F135-I139 PolarHBondContact O-N 3.39Å
136	N	62.8	Low	56.3	Low	43 Å²	43	74.5 Å²	74.5	23%	0.23	34%	0.343	C	S	.	.	H	α-helix	trans	-63.7	-38.8	174.4	-74.5	-17.7	0	0	0	111.8	I132 D133 I138 I139 Y140	I132-N136 VanDerWaalsContact O-CB 3.22Å; I132-N136 WeakPolarHBondContact O-CB 3.33Å; I132-N136 PolarHBondContact O-N 3.23Å; I132-N136 PolarHBondContact O-ND2 3.45Å; D133-N136 PolarHBondContact O-N 2.85Å; N136-I138 VanDerWaalsContact C-N 3.3Å; N136-I138 PolarHBondContact O-N 3.27Å; N136-I139 PolarHBondContact O-N 2.91Å; N136-Y140 HydrophobicContact CB-CD2 3.74Å; N136-Y140 HydrophobicContact CB-CE2 4.11Å; N136-Y140 VanDerWaalsContact O-CB 3.26Å; N136-Y140 WeakPolarHBondContact O-CB 3.17Å; N136-Y140 WeakPolarHBondContact O-CD2 3.43Å; N136-Y140 PolarHBondContact O-N 2.85Å; N136-Y140 WeakPolarHBondContact OD1-CE2 3.39Å
137	E	63.5	Low	55.7	Low	110 Å²	110	76.7 Å²	76.7	51%	0.514	37%	0.368	S	S	.	.	H	α-helix	trans	-64.1	-37.7	175.6	-163.5	179.3	-179.3	0	0	111.5	H38 D133 Q134 F135	H38-E137 IonicContact CE1-OE2 3.88Å; H38-E137 PolarHBondContact CE1-OE2 3.44Å; H38-E137 VanDerWaalsContact CE1-OE2 3.23Å; H38-E137 IonicContact ND1-OE2 3.03Å; D133-E137 WeakPolarHBondContact O-CB 3.43Å; D133-E137 PolarHBondContact O-N 3.03Å; Q134-E137 PolarHBondContact O-N 3.5Å; F135-E137 PolarHBondContact O-N 2.91Å
138	I	62.1	Low	54.9	Low	23 Å²	23	83.6 Å²	83.6	12%	0.118	41%	0.405	C	S	.	.	H	α-helix	trans	-67.2	-43.5	175.4	-65.7	163.2	0	0	0	110.9	L27 V29 L130 Q134 F135 N136	L27-I138 HydrophobicContact CD2-CD1 3.84Å; V29-I138 HydrophobicContact CG2-CD1 4.45Å; V29-I138 HydrophobicContact CG2-CG1 4.3Å; L130-I138 HydrophobicContact CD1-CD1 3.99Å; Q134-I138 WeakPolarHBondContact O-CD1 3.47Å; Q134-I138 WeakPolarHBondContact O-CG1 3.39Å; Q134-I138 PolarHBondContact O-N 2.93Å; F135-I138 WeakPolarHBondContact O-CB 3.37Å; F135-I138 PolarHBondContact O-N 3.33Å; N136-I138 VanDerWaalsContact C-N 3.3Å; N136-I138 PolarHBondContact O-N 3.27Å
139	I	61.8	Low	53.9	Low	40 Å²	40	87.1 Å²	87.1	21%	0.205	42%	0.422	C	S	.	.	H	α-helix	trans	-84.2	-50.5	-175.7	-67.6	-156.2	0	0	0	113.7	F63 F135 N136 S141 E142	F63-I139 HydrophobicContact CE2-CD1 4.47Å; F135-I139 HydrophobicContact CD1-CD1 4.12Å; F135-I139 HydrophobicContact CD1-CG1 4.42Å; F135-I139 HydrophobicContact CE1-CD1 3.29Å; F135-I139 HydrophobicContact CE1-CG1 4.04Å; F135-I139 HydrophobicContact CE2-CD1 3.86Å; F135-I139 HydrophobicContact CE2-CG1 4.29Å; F135-I139 HydrophobicContact CZ-CD1 3.12Å; F135-I139 HydrophobicContact CZ-CG1 3.96Å; F135-I139 WeakPolarHBondContact O-CG1 3.4Å; F135-I139 PolarHBondContact O-N 3.39Å; N136-I139 PolarHBondContact O-N 2.91Å; I139-S141 PolarHBondContact O-N 3.37Å; I139-E142 VanDerWaalsContact O-CB 3.25Å; I139-E142 WeakPolarHBondContact O-CB 3.35Å; I139-E142 VanDerWaalsContact O-CG 3.29Å; I139-E142 WeakPolarHBondContact O-CG 3.25Å; I139-E142 PolarHBondContact O-N 2.72Å
140	Y	53.3	Low	53.3	Low	155 Å²	155	91.6 Å²	91.6	61%	0.608	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-69.5	-3.1	-171.4	-79.7	-79.4	0	0	0	114.5	N136 E142	N136-Y140 HydrophobicContact CB-CD2 3.74Å; N136-Y140 HydrophobicContact CB-CE2 4.11Å; N136-Y140 VanDerWaalsContact O-CB 3.26Å; N136-Y140 WeakPolarHBondContact O-CB 3.17Å; N136-Y140 WeakPolarHBondContact O-CD2 3.43Å; N136-Y140 PolarHBondContact O-N 2.85Å; N136-Y140 WeakPolarHBondContact OD1-CE2 3.39Å; Y140-E142 PolarHBondContact O-N 3.15Å
141	S	51.3	Low	52.7	Low	39 Å²	39	92.6 Å²	92.6	27%	0.273	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-65.9	-7.7	164.7	92.7	0	0	0	0	113.4	K31 I139 R143 S144	K31-S141 PolarHBondContact NZ-O 3.22Å; K31-S141 PolarHBondContact NZ-OG 3.24Å; I139-S141 PolarHBondContact O-N 3.37Å; S141-R143 PolarHBondContact O-N 3.49Å; S141-S144 PolarHBondContact O-OG 3.32Å
142	E	47.9	Very low	52	Low	123 Å²	123	91.1 Å²	91.1	58%	0.575	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-70.9	-13.9	178.5	-83.2	-174.7	157	0	0	115.9	I139 Y140 S144	I139-E142 VanDerWaalsContact O-CB 3.25Å; I139-E142 WeakPolarHBondContact O-CB 3.35Å; I139-E142 VanDerWaalsContact O-CG 3.29Å; I139-E142 WeakPolarHBondContact O-CG 3.25Å; I139-E142 PolarHBondContact O-N 2.72Å; Y140-E142 PolarHBondContact O-N 3.15Å; E142-S144 PolarHBondContact O-N 3.42Å
143	R	42.4	Very low	51.5	Low	229 Å²	229	90.6 Å²	90.6	86%	0.864	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-74.8	6.6	-176.1	-101.2	-176	-175.7	177.9	2	115.7	S141	S141-R143 PolarHBondContact O-N 3.49Å
144	S	40.7	Very low	50.6	Low	84 Å²	84	86.3 Å²	86.3	59%	0.587	42%	0.422	S	S	*	.	S	Bend	trans	-100.1	98.8	174.3	39.4	0	0	0	0	111.1	S141 E142 Q146	S141-S144 PolarHBondContact O-OG 3.32Å; E142-S144 PolarHBondContact O-N 3.42Å; S144-Q146 VanDerWaalsContact C-N 3.29Å; S144-Q146 PolarHBondContact O-N 3.49Å
145	Y	36.7	Very low	49.8	Very low	244 Å²	244	86.5 Å²	86.5	96%	0.957	43%	0.426	S	S	*	.	S	Bend	trans	-17.7	54.1	164.9	-119.4	-92.5	0	0	0	119.9
146	Q	40.7	Very low	48.8	Very low	155 Å²	155	89 Å²	89	72%	0.724	44%	0.436	S	S	*	.			trans	-145.4	110.8	167.8	-112.6	169.9	-18	0	0	112.1	S144 N148	S144-Q146 VanDerWaalsContact C-N 3.29Å; S144-Q146 PolarHBondContact O-N 3.49Å; Q146-N148 VanDerWaalsContact C-N 3.32Å; Q146-N148 PolarHBondContact O-N 3.5Å; Q146-N148 VanDerWaalsContact O-N 3.09Å
147	S	40.9	Very low	47.7	Very low	120 Å²	120	89 Å²	89	84%	0.839	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	32.9	-164.2	50.5	0	0	0	0	116.1
148	N	41.9	Very low	47.1	Very low	148 Å²	148	85.6 Å²	85.6	79%	0.791	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-154	36.1	-179.5	-97.3	-23.3	0	0	0	114.9	Q146	Q146-N148 VanDerWaalsContact C-N 3.32Å; Q146-N148 PolarHBondContact O-N 3.5Å; Q146-N148 VanDerWaalsContact O-N 3.09Å
149	M	42	Very low	46.6	Very low	79 Å²	79	91.3 Å²	91.3	39%	0.389	45%	0.452	S	S	.	.			trans	-87.1	118.2	-179.2	-61.5	-62.2	-117.8	0	0	111.8	D32 I151	D32-M149 WeakPolarHBondContact OD1-CE 3.34Å; D32-M149 WeakPolarHBondContact OD2-CE 3.39Å; M149-I151 PolarHBondContact O-N 3.44Å
150	N	50	Low	46.2	Very low	97 Å²	97	92 Å²	92	52%	0.519	46%	0.459	S	S	.	.			trans	-85.2	91.4	175.8	-65.6	-26.2	0	0	0	109.8	K59 S152	K59-N150 WeakPolarHBondContact CE-OD1 3.5Å; K59-N150 PolarHBondContact NZ-OD1 3Å; N150-S152 PolarHBondContact O-N 3.05Å
151	I	50.4	Low	46.7	Very low	24 Å²	24	89.5 Å²	89.5	12%	0.123	46%	0.456	C	S	.	.			trans	-71.7	122.4	170.7	-58.1	173	0	0	0	107.7	V29 M58 L60 M149 V153	V29-I151 HydrophobicContact CG1-CG2 3.64Å; M58-I151 VanDerWaalsContact O-O 3.12Å; L60-I151 HydrophobicContact CB-CB 4.38Å; L60-I151 HydrophobicContact CD1-CB 4.21Å; L60-I151 HydrophobicContact CD1-CG2 3.84Å; L60-I151 PolarHBondContact N-O 2.94Å; L60-I151 VanDerWaalsContact N-O 3.15Å; M149-I151 PolarHBondContact O-N 3.44Å; I151-V153 HydrophobicContact CG2-CG2 4.2Å
152	S	49.7	Very low	47.6	Very low	13 Å²	13	89.5 Å²	89.5	9%	0.091	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	134.3	171.3	65.3	0	0	0	0	111.8	Y30 M58 N150	Y30-S152 WeakPolarHBondContact CB-OG 3.24Å; Y30-S152 PolarHBondContact N-O 2.97Å; Y30-S152 PolarHBondContact O-N 3.03Å; M58-S152 VanDerWaalsContact O-CA 3.29Å; M58-S152 WeakPolarHBondContact O-CA 3.48Å; N150-S152 PolarHBondContact O-N 3.05Å
153	V	51.6	Low	49	Very low	18 Å²	18	85.4 Å²	85.4	11%	0.109	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.4	-176.2	-177.7	0	0	0	0	109.1	L27 K28 V29 M58 L60 I151	L27-V153 HydrophobicContact CD1-CG1 3.09Å; L27-V153 HydrophobicContact CD2-CG1 4.07Å; L27-V153 HydrophobicContact CG-CG1 3.57Å; K28-V153 CarbonylContact O-C 3.57Å; K28-V153 WeakPolarHBondContact O-CA 3.01Å; V29-V153 HydrophobicContact CG1-CG2 4.46Å; V29-V153 HydrophobicContact CG2-CG2 4.28Å; M58-V153 PolarHBondContact N-O 3.12Å; M58-V153 PolarHBondContact O-N 3.24Å; L60-V153 HydrophobicContact CD1-CG2 3.69Å; I151-V153 HydrophobicContact CG2-CG2 4.2Å
154	S	44.7	Very low	50.8	Low	13 Å²	13	77.2 Å²	77.2	9%	0.091	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	134.1	174.6	66.3	0	0	0	0	110.6	L27 K28 Y30 F156	L27-S154 CarbonylContact C-O 3.47Å; L27-S154 WeakPolarHBondContact CA-O 3.48Å; K28-S154 PolarHBondContact N-O 3.46Å; K28-S154 PolarHBondContact O-N 3.13Å; Y30-S154 WeakPolarHBondContact CE2-OG 3.25Å; S154-F156 VanDerWaalsContact OG-CE2 3.23Å; S154-F156 WeakPolarHBondContact OG-CE2 3.5Å
155	V	47.3	Very low	52.6	Low	42 Å²	42	75.4 Å²	75.4	26%	0.255	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	117.1	176.6	-179.3	0	0	0	0	109.1	I26 L27 Y42 L128	I26-V155 WeakPolarHBondContact O-CA 3.44Å; L27-V155 HydrophobicContact CD1-CG2 3.47Å; L27-V155 VanDerWaalsContact CD1-CG2 3.47Å; Y42-V155 HydrophobicContact CD1-CG1 4.31Å; L128-V155 HydrophobicContact CD1-CG2 3.92Å
156	F	42.4	Very low	54.7	Low	69 Å²	69	69.1 Å²	69.1	30%	0.303	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	128.7	171.1	-65	-87.3	0	0	0	109.7	G25 I26 K28 S154 F158	G25-F156 CarbonylContact C-O 3.58Å; G25-F156 WeakPolarHBondContact CA-O 3.31Å; I26-F156 HydrophobicContact CB-CB 4.37Å; I26-F156 PolarHBondContact N-O 3.05Å; I26-F156 PolarHBondContact O-N 3.11Å; K28-F156 HydrophobicContact CB-CE2 4.05Å; K28-F156 HydrophobicContact CD-CD2 4.02Å; K28-F156 HydrophobicContact CD-CE2 3.45Å; K28-F156 VanDerWaalsContact CD-CE2 3.45Å; K28-F156 HydrophobicContact CD-CZ 4.29Å; K28-F156 HydrophobicContact CG-CD2 3.89Å; K28-F156 HydrophobicContact CG-CE2 3.67Å; S154-F156 VanDerWaalsContact OG-CE2 3.23Å; S154-F156 WeakPolarHBondContact OG-CE2 3.5Å; F156-F158 PolarHBondContact O-N 3.32Å
157	P	40.9	Very low	56.9	Low	45 Å²	45	64.3 Å²	64.3	29%	0.292	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	120.7	171.9	27.5	-33.8	0	0	0	109.4	Y42 L49 I159	Y42-P157 VanDerWaalsContact OH-CB 3.23Å; Y42-P157 WeakPolarHBondContact OH-CB 3.49Å; L49-P157 HydrophobicContact CD1-CB 4.1Å; L49-P157 HydrophobicContact CD1-CG 4.25Å; L49-P157 HydrophobicContact CD2-CG 4.02Å; P157-I159 PolarHBondContact O-N 3.34Å
158	F	50	Low	59.1	Low	38 Å²	38	62.3 Å²	62.3	17%	0.167	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-80.2	116.2	168.5	-177.5	-108.8	0	0	0	107.6	V24 F156 P160 I420 I430	V24-F158 HydrophobicContact CB-CB 4.33Å; V24-F158 HydrophobicContact CB-CD1 4.34Å; V24-F158 HydrophobicContact CG1-CB 4.43Å; V24-F158 WeakPolarHBondContact O-CA 3.45Å; V24-F158 WeakPolarHBondContact O-CB 3.36Å; V24-F158 PolarHBondContact O-N 2.79Å; F156-F158 PolarHBondContact O-N 3.32Å; F158-P160 HydrophobicContact CD1-CB 4.02Å; F158-P160 HydrophobicContact CD1-CG 4.46Å; F158-P160 VanDerWaalsContact CE1-CA 3.48Å; F158-P160 HydrophobicContact CE1-CB 3.6Å; F158-P160 HydrophobicContact CE1-CG 4.5Å; F158-P160 HydrophobicContact CZ-CB 4.47Å; F158-P160 WeakPolarHBondContact O-CD 3.12Å; F158-I420 HydrophobicContact CE1-CD1 3.6Å; F158-I420 HydrophobicContact CE2-CD1 3.94Å; F158-I420 HydrophobicContact CE2-CG1 4.27Å; F158-I420 HydrophobicContact CE2-CG2 4.32Å; F158-I420 HydrophobicContact CZ-CD1 3.25Å; F158-I420 HydrophobicContact CZ-CG1 3.87Å; F158-I430 HydrophobicContact CE1-CD1 4.21Å
159	I	51.3	Low	61.3	Low	143 Å²	143	55.2 Å²	55.2	73%	0.733	30%	0.296	S	S	*	.			trans	-92.1	96	169.6	-57.7	168.9	0	0	0	105.8	P157 N161	P157-I159 PolarHBondContact O-N 3.34Å; I159-N161 PolarHBondContact O-N 3.32Å
160	P	55	Low	63.7	Low	54 Å²	54	53.4 Å²	53.4	35%	0.351	29%	0.285	S	S	.	.			trans	-60.6	133.9	179.7	22.9	-32.5	0	0	0	109.8	F158 S162	F158-P160 HydrophobicContact CD1-CB 4.02Å; F158-P160 HydrophobicContact CD1-CG 4.46Å; F158-P160 VanDerWaalsContact CE1-CA 3.48Å; F158-P160 HydrophobicContact CE1-CB 3.6Å; F158-P160 HydrophobicContact CE1-CG 4.5Å; F158-P160 HydrophobicContact CZ-CB 4.47Å; F158-P160 WeakPolarHBondContact O-CD 3.12Å; P160-S162 PolarHBondContact O-N 2.98Å
161	N	64	Low	65.6	Low	103 Å²	103	53.5 Å²	53.5	55%	0.551	29%	0.285	S	S	*	.			trans	-71.2	32.4	168.8	-89.4	-22.9	0	0	0	111.9	I159 M163 A164 F165	I159-N161 PolarHBondContact O-N 3.32Å; N161-M163 PolarHBondContact O-N 3.48Å; N161-M163 VanDerWaalsContact O-N 3.08Å; N161-A164 HydrophobicContact CB-CB 4.44Å; N161-A164 WeakPolarHBondContact O-CB 3.47Å; N161-A164 PolarHBondContact O-N 3.09Å; N161-F165 HydrophobicContact CB-CD2 4.16Å; N161-F165 HydrophobicContact CB-CE2 4.25Å; N161-F165 PolarHBondContact O-N 2.81Å; N161-F165 VanDerWaalsContact O-N 3.12Å
162	S	69.3	Low	67.7	Low	39 Å²	39	55.9 Å²	55.9	27%	0.273	30%	0.297	S	S	.	.	H	α-helix	trans	-53.2	-36.4	-173.9	61.8	0	0	0	0	112.9	P160 K166 Y432	P160-S162 PolarHBondContact O-N 2.98Å; S162-K166 VanDerWaalsContact O-CB 3.29Å; S162-K166 WeakPolarHBondContact O-CB 3.32Å; S162-K166 WeakPolarHBondContact O-CG 3.17Å; S162-K166 PolarHBondContact O-N 3.28Å; S162-Y432 WeakPolarHBondContact CA-OH 3.42Å; S162-Y432 WeakPolarHBondContact CB-OH 3.3Å
163	M	76.4	Confident	69.7	Low	37 Å²	37	55.2 Å²	55.2	18%	0.182	29%	0.293	C	S	.	.	H	α-helix	trans	-66	-48	177	-178.8	-179.1	-89.3	0	0	111.3	V11 H15 N161 F165 K166 F167 H485	V11-M163 HydrophobicContact CB-SD 4.29Å; V11-M163 HydrophobicContact CG1-CE 3.4Å; V11-M163 VanDerWaalsContact CG1-CE 3.4Å; V11-M163 HydrophobicContact CG1-SD 3.44Å; V11-M163 WeakPolarHBondContact CG1-SD 3.46Å; H15-M163 HydrophobicContact CB-CE 4.3Å; H15-M163 WeakPolarHBondContact CD2-CE 3.45Å; N161-M163 PolarHBondContact O-N 3.48Å; N161-M163 VanDerWaalsContact O-N 3.08Å; M163-F165 PolarHBondContact O-N 2.96Å; M163-K166 PolarHBondContact O-N 3Å; M163-F167 HydrophobicContact CG-CD2 3.54Å; M163-F167 HydrophobicContact CG-CE2 3.35Å; M163-F167 WeakPolarHBondContact O-CD2 2.97Å; M163-F167 PolarHBondContact O-N 3.15Å; M163-F167 HydrophobicContact SD-CE2 3.97Å; M163-H485 WeakPolarHBondContact CE-NE2 3.26Å
164	A	80.1	Confident	71.8	Confident	56 Å²	56	56.6 Å²	56.6	46%	0.463	30%	0.296	S	S	.	.	H	α-helix	trans	-62.4	-45	-179.5	0	0	0	0	0	111.7	N161 F167 L168	N161-A164 HydrophobicContact CB-CB 4.44Å; N161-A164 WeakPolarHBondContact O-CB 3.47Å; N161-A164 PolarHBondContact O-N 3.09Å; A164-F167 PolarHBondContact O-N 2.97Å; A164-L168 VanDerWaalsContact O-CB 3.31Å; A164-L168 WeakPolarHBondContact O-CB 3.4Å; A164-L168 PolarHBondContact O-N 3.48Å
165	F	80	Confident	74.2	Confident	46 Å²	46	57.1 Å²	57.1	20%	0.202	30%	0.304	C	S	.	.	H	α-helix	trans	-65.3	-40.7	176.7	-80.2	-84.8	0	0	0	112.6	N161 M163 L168 I169 I416 E418 Y432	N161-F165 HydrophobicContact CB-CD2 4.16Å; N161-F165 HydrophobicContact CB-CE2 4.25Å; N161-F165 PolarHBondContact O-N 2.81Å; N161-F165 VanDerWaalsContact O-N 3.12Å; M163-F165 PolarHBondContact O-N 2.96Å; F165-L168 PolarHBondContact O-N 3.46Å; F165-I169 WeakPolarHBondContact O-CG1 3.47Å; F165-I169 PolarHBondContact O-N 3.44Å; F165-I169 VanDerWaalsContact O-N 3.07Å; F165-I416 HydrophobicContact CD1-CG2 3.64Å; F165-I416 HydrophobicContact CE1-CG2 3.82Å; F165-E418 HydrophobicContact CD1-CB 4.35Å; F165-E418 HydrophobicContact CD2-CB 4.09Å; F165-E418 HydrophobicContact CD2-CG 4.15Å; F165-E418 HydrophobicContact CE1-CB 3.99Å; F165-E418 HydrophobicContact CE2-CB 3.72Å; F165-E418 VanDerWaalsContact CE2-CD 3.42Å; F165-E418 HydrophobicContact CE2-CG 3.48Å; F165-E418 VanDerWaalsContact CE2-CG 3.48Å; F165-E418 HydrophobicContact CG-CB 4.4Å; F165-E418 HydrophobicContact CZ-CB 3.66Å; F165-E418 HydrophobicContact CZ-CG 3.7Å; F165-Y432 HydrophobicContact CB-CD1 4.36Å; F165-Y432 HydrophobicContact CB-CD2 3.53Å; F165-Y432 HydrophobicContact CB-CE2 3.71Å; F165-Y432 HydrophobicContact CB-CG 3.88Å; F165-Y432 HydrophobicContact CD1-CD2 4.22Å; F165-Y432 HydrophobicContact CD2-CE2 4.18Å; F165-Y432 AromaticContact CG-CD2 3.9Å; F165-Y432 HydrophobicContact CG-CD2 3.9Å; F165-Y432 AromaticContact CG-CE2 3.9Å; F165-Y432 HydrophobicContact CG-CE2 3.9Å
166	K	80.8	Confident	76.5	Confident	112 Å²	112	56.9 Å²	56.9	49%	0.487	30%	0.299	S	S	.	.	H	α-helix	trans	-60	-48.2	173.3	-76.9	175.2	-179.5	-171.6	0	111.7	S162 M163 L168 I169 W170 Y432	S162-K166 VanDerWaalsContact O-CB 3.29Å; S162-K166 WeakPolarHBondContact O-CB 3.32Å; S162-K166 WeakPolarHBondContact O-CG 3.17Å; S162-K166 PolarHBondContact O-N 3.28Å; M163-K166 PolarHBondContact O-N 3Å; K166-L168 VanDerWaalsContact C-N 3.34Å; K166-L168 PolarHBondContact O-N 3.45Å; K166-I169 PolarHBondContact O-N 3.5Å; K166-W170 VanDerWaalsContact O-CD1 3.22Å; K166-W170 PolarHBondContact O-N 3.22Å; K166-Y432 HydrophobicContact CG-CD1 4.2Å
167	F	86	Confident	79.1	Confident	55 Å²	55	53.6 Å²	53.6	24%	0.241	29%	0.285	C	S	.	.	H	α-helix	trans	-62.5	-41	177	-82.4	-66.5	0	0	0	112.2	V11 M163 A164 I169 W170 I171 I481	V11-F167 HydrophobicContact CG1-CE2 4.18Å; V11-F167 HydrophobicContact CG1-CZ 4.34Å; M163-F167 HydrophobicContact CG-CD2 3.54Å; M163-F167 HydrophobicContact CG-CE2 3.35Å; M163-F167 WeakPolarHBondContact O-CD2 2.97Å; M163-F167 PolarHBondContact O-N 3.15Å; M163-F167 HydrophobicContact SD-CE2 3.97Å; A164-F167 PolarHBondContact O-N 2.97Å; F167-I169 VanDerWaalsContact C-N 3.34Å; F167-I169 PolarHBondContact O-N 2.94Å; F167-W170 PolarHBondContact O-N 3.34Å; F167-I171 VanDerWaalsContact O-CG1 3.3Å; F167-I171 WeakPolarHBondContact O-CG1 3.33Å; F167-I171 PolarHBondContact O-N 2.85Å; F167-I481 HydrophobicContact CD1-CG2 3.93Å; F167-I481 HydrophobicContact CE1-CG2 3.55Å
168	L	88.1	Confident	81.8	Confident	77 Å²	77	52.6 Å²	52.6	40%	0.403	28%	0.278	S	S	.	.	H	α-helix	trans	-58.6	-45.2	178	179.9	63.9	0	0	0	111.6	A164 F165 K166 W170 I171 L172 I416	A164-L168 VanDerWaalsContact O-CB 3.31Å; A164-L168 WeakPolarHBondContact O-CB 3.4Å; A164-L168 PolarHBondContact O-N 3.48Å; F165-L168 PolarHBondContact O-N 3.46Å; K166-L168 VanDerWaalsContact C-N 3.34Å; K166-L168 PolarHBondContact O-N 3.45Å; L168-W170 PolarHBondContact O-N 2.94Å; L168-I171 PolarHBondContact O-N 3.02Å; L168-L172 HydrophobicContact CD1-CD1 4.32Å; L168-L172 HydrophobicContact CG-CD1 4.17Å; L168-L172 WeakPolarHBondContact O-CG 3.18Å; L168-L172 PolarHBondContact O-N 3.44Å; L168-I416 HydrophobicContact CD2-CD1 3.82Å; L168-I416 HydrophobicContact CG-CD1 3.89Å
169	I	88.4	Confident	84.1	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.4	-47.5	176.8	-68.1	171.9	0	0	0	110.9	F165 K166 F167 I171 L172 L173 L414 I416 Y432	F165-I169 WeakPolarHBondContact O-CG1 3.47Å; F165-I169 PolarHBondContact O-N 3.44Å; F165-I169 VanDerWaalsContact O-N 3.07Å; K166-I169 PolarHBondContact O-N 3.5Å; F167-I169 VanDerWaalsContact C-N 3.34Å; F167-I169 PolarHBondContact O-N 2.94Å; I169-I171 VanDerWaalsContact C-N 3.31Å; I169-I171 PolarHBondContact O-N 3.07Å; I169-L172 PolarHBondContact O-N 3.32Å; I169-L172 VanDerWaalsContact O-N 3.13Å; I169-L173 HydrophobicContact CG2-CD1 3.9Å; I169-L173 HydrophobicContact CG2-CG 4.17Å; I169-L173 WeakPolarHBondContact O-CG 3.37Å; I169-L173 PolarHBondContact O-N 2.98Å; I169-L414 HydrophobicContact CG2-CB 4.3Å; I169-L414 HydrophobicContact CG2-CD2 4.47Å; I169-I416 HydrophobicContact CB-CD1 4.43Å; I169-I416 HydrophobicContact CD1-CB 4.15Å; I169-I416 HydrophobicContact CD1-CD1 4.34Å; I169-I416 HydrophobicContact CD1-CG1 4.18Å; I169-I416 HydrophobicContact CG1-CB 4.09Å; I169-I416 HydrophobicContact CG1-CD1 3.36Å; I169-I416 HydrophobicContact CG1-CG1 3.65Å; I169-Y432 VanDerWaalsContact CD1-C 3.45Å; I169-Y432 WeakPolarHBondContact CD1-O 3.39Å
170	W	90.4	Very high	86.3	Confident	41 Å²	41	47.7 Å²	47.7	16%	0.155	25%	0.254	C	S	.	.	H	α-helix	trans	-61.4	-38.5	179.1	-80.8	108.2	0	0	0	112.6	K166 F167 L168 L173 Y174 L436 F477 I481 L484	K166-W170 VanDerWaalsContact O-CD1 3.22Å; K166-W170 PolarHBondContact O-N 3.22Å; F167-W170 PolarHBondContact O-N 3.34Å; L168-W170 PolarHBondContact O-N 2.94Å; W170-L173 HydrophobicContact CE3-CD1 4.46Å; W170-L173 PolarHBondContact O-N 3.3Å; W170-Y174 WeakPolarHBondContact O-CB 3.37Å; W170-Y174 PolarHBondContact O-N 2.94Å; W170-L436 HydrophobicContact CZ3-CD1 4.38Å; W170-F477 HydrophobicContact CE3-CE1 4.29Å; W170-F477 HydrophobicContact CE3-CE2 4.43Å; W170-F477 AromaticContact CE3-CZ 3.68Å; W170-F477 HydrophobicContact CE3-CZ 3.68Å; W170-F477 HydrophobicContact CZ3-CE2 4.49Å; W170-F477 HydrophobicContact CZ3-CZ 4.16Å; W170-I481 HydrophobicContact CB-CD1 3.96Å; W170-I481 HydrophobicContact CB-CG1 4.18Å; W170-I481 HydrophobicContact CD2-CG1 4.38Å; W170-I481 HydrophobicContact CE3-CG1 4.46Å; W170-I481 HydrophobicContact CG-CG1 4.25Å; W170-L484 HydrophobicContact CH2-CD2 4.14Å; W170-L484 HydrophobicContact CZ2-CD2 3.28Å
171	I	91.8	Very high	88.3	Confident	99 Å²	99	45.1 Å²	45.1	51%	0.508	24%	0.237	S	C	.	.	H	α-helix	trans	-63.7	-40.5	174.3	-69.8	166.1	0	0	0	111.3	F167 L168 I169 Y174 G175	F167-I171 VanDerWaalsContact O-CG1 3.3Å; F167-I171 WeakPolarHBondContact O-CG1 3.33Å; F167-I171 PolarHBondContact O-N 2.85Å; L168-I171 PolarHBondContact O-N 3.02Å; I169-I171 VanDerWaalsContact C-N 3.31Å; I169-I171 PolarHBondContact O-N 3.07Å; I171-Y174 WeakPolarHBondContact O-CB 3.48Å; I171-G175 PolarHBondContact O-N 3.03Å
172	L	92.9	Very high	89.9	Confident	73 Å²	73	43.2 Å²	43.2	38%	0.382	23%	0.227	S	C	.	.	H	α-helix	trans	-71	-41.2	178.7	-69.7	170.7	0	0	0	112.2	L168 I169 Y174 G175 F176 L414 I416	L168-L172 HydrophobicContact CD1-CD1 4.32Å; L168-L172 HydrophobicContact CG-CD1 4.17Å; L168-L172 WeakPolarHBondContact O-CG 3.18Å; L168-L172 PolarHBondContact O-N 3.44Å; I169-L172 PolarHBondContact O-N 3.32Å; I169-L172 VanDerWaalsContact O-N 3.13Å; L172-Y174 VanDerWaalsContact C-N 3.32Å; L172-Y174 PolarHBondContact O-N 3.49Å; L172-G175 WeakPolarHBondContact O-CA 3.37Å; L172-G175 PolarHBondContact O-N 3.42Å; L172-G175 VanDerWaalsContact O-N 3.11Å; L172-F176 WeakPolarHBondContact O-CD2 3.43Å; L172-F176 PolarHBondContact O-N 3.46Å; L172-L414 HydrophobicContact CB-CD2 3.59Å; L172-L414 HydrophobicContact CD1-CD2 3.52Å; L172-L414 HydrophobicContact CG-CD2 4.21Å; L172-I416 HydrophobicContact CD1-CD1 3.77Å
173	L	93.4	Very high	91.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.9	-42	173.4	-69.8	176.1	0	0	0	111.5	I169 W170 G175 F176 A177 F412 L414 L436	I169-L173 HydrophobicContact CG2-CD1 3.9Å; I169-L173 HydrophobicContact CG2-CG 4.17Å; I169-L173 WeakPolarHBondContact O-CG 3.37Å; I169-L173 PolarHBondContact O-N 2.98Å; W170-L173 HydrophobicContact CE3-CD1 4.46Å; W170-L173 PolarHBondContact O-N 3.3Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-F176 HydrophobicContact CD2-CD2 4.44Å; L173-F176 PolarHBondContact O-N 3.35Å; L173-A177 PolarHBondContact O-N 3.14Å; L173-F412 HydrophobicContact CD2-CB 3.72Å; L173-L414 HydrophobicContact CD2-CB 4.15Å; L173-L436 HydrophobicContact CB-CB 4.35Å; L173-L436 HydrophobicContact CB-CD2 4.41Å; L173-L436 HydrophobicContact CD1-CB 4.31Å
174	Y	94.6	Very high	92.1	Very high	46 Å²	46	41 Å²	41	18%	0.18	21%	0.213	C	C	.	.	H	α-helix	trans	-59.1	-44.4	171.1	-176.9	-115.6	0	0	0	112.2	W170 I171 L172 F176 A177 V178 Y473 S474 F477	W170-Y174 WeakPolarHBondContact O-CB 3.37Å; W170-Y174 PolarHBondContact O-N 2.94Å; I171-Y174 WeakPolarHBondContact O-CB 3.48Å; L172-Y174 VanDerWaalsContact C-N 3.32Å; L172-Y174 PolarHBondContact O-N 3.49Å; Y174-F176 VanDerWaalsContact C-N 3.32Å; Y174-F176 PolarHBondContact O-N 3.09Å; Y174-A177 PolarHBondContact O-N 2.92Å; Y174-A177 VanDerWaalsContact O-N 3.13Å; Y174-V178 HydrophobicContact CD1-CG2 4.06Å; Y174-V178 HydrophobicContact CD2-CG2 4.1Å; Y174-V178 HydrophobicContact CE1-CG2 3.51Å; Y174-V178 HydrophobicContact CE2-CG2 3.55Å; Y174-V178 HydrophobicContact CG-CG2 4.31Å; Y174-V178 WeakPolarHBondContact O-CG2 3.42Å; Y174-V178 PolarHBondContact O-N 3.29Å; Y174-V178 VanDerWaalsContact OH-CG2 3.25Å; Y174-V178 WeakPolarHBondContact OH-CG2 3.48Å; Y174-Y473 HydrophobicContact CD2-CE1 4.22Å; Y174-Y473 AromaticContact CE2-CD1 3.84Å; Y174-Y473 HydrophobicContact CE2-CD1 3.84Å; Y174-Y473 AromaticContact CE2-CE1 3.61Å; Y174-Y473 HydrophobicContact CE2-CE1 3.61Å; Y174-S474 WeakPolarHBondContact OH-CA 3.35Å; Y174-S474 WeakPolarHBondContact OH-CB 3.29Å; Y174-S474 PolarHBondContact OH-OG 2.92Å; Y174-F477 VanDerWaalsContact CB-CE1 3.41Å; Y174-F477 HydrophobicContact CD2-CB 3.88Å; Y174-F477 AromaticContact CD2-CD1 3.41Å; Y174-F477 HydrophobicContact CD2-CD1 3.41Å; Y174-F477 VanDerWaalsContact CD2-CD1 3.41Å; Y174-F477 AromaticContact CD2-CD2 3.83Å; Y174-F477 HydrophobicContact CD2-CD2 3.83Å; Y174-F477 AromaticContact CD2-CE1 3.79Å; Y174-F477 HydrophobicContact CD2-CE1 3.79Å; Y174-F477 HydrophobicContact CD2-CE2 4.17Å; Y174-F477 AromaticContact CD2-CG 3.42Å; Y174-F477 HydrophobicContact CD2-CG 3.42Å; Y174-F477 VanDerWaalsContact CD2-CG 3.42Å; Y174-F477 HydrophobicContact CD2-CZ 4.13Å; Y174-F477 HydrophobicContact CE2-CB 3.85Å; Y174-F477 HydrophobicContact CE2-CD1 4.18Å; Y174-F477 HydrophobicContact CE2-CD2 4.5Å; Y174-F477 AromaticContact CE2-CG 3.93Å; Y174-F477 HydrophobicContact CE2-CG 3.93Å; Y174-F477 AromaticContact CG-CD1 3.77Å; Y174-F477 HydrophobicContact CG-CD1 3.77Å; Y174-F477 AromaticContact CG-CE1 3.84Å; Y174-F477 HydrophobicContact CG-CE1 3.84Å; Y174-F477 HydrophobicContact CG-CG 4.25Å; Y174-F477 HydrophobicContact CG-CZ 4.35Å
175	G	95.6	Very high	92.9	Very high	24 Å²	24	38.5 Å²	38.5	25%	0.247	19%	0.191	C	C	.	.	H	α-helix	trans	-54.6	-46.2	176.3	0	0	0	0	0	112.2	I171 L172 L173 A177 V178 I179	I171-G175 PolarHBondContact O-N 3.03Å; L172-G175 WeakPolarHBondContact O-CA 3.37Å; L172-G175 PolarHBondContact O-N 3.42Å; L172-G175 VanDerWaalsContact O-N 3.11Å; L173-G175 VanDerWaalsContact C-N 3.33Å; G175-A177 PolarHBondContact O-N 2.62Å; G175-V178 PolarHBondContact O-N 3.37Å; G175-I179 WeakPolarHBondContact O-CB 3.39Å; G175-I179 WeakPolarHBondContact O-CD1 3.38Å; G175-I179 WeakPolarHBondContact O-CG1 3.21Å; G175-I179 PolarHBondContact O-N 3.36Å
176	F	96.2	Very high	93.6	Very high	38 Å²	38	41.7 Å²	41.7	17%	0.167	20%	0.202	C	C	.	.	H	α-helix	trans	-60.8	-44.6	175.4	-64.3	-44.4	0	0	0	112.5	L172 L173 Y174 S180 M324 F412	L172-F176 WeakPolarHBondContact O-CD2 3.43Å; L172-F176 PolarHBondContact O-N 3.46Å; L173-F176 HydrophobicContact CD2-CD2 4.44Å; L173-F176 PolarHBondContact O-N 3.35Å; Y174-F176 VanDerWaalsContact C-N 3.32Å; Y174-F176 PolarHBondContact O-N 3.09Å; F176-S180 PolarHBondContact O-N 2.95Å; F176-M324 HydrophobicContact CB-CG 4.02Å; F176-M324 HydrophobicContact CB-SD 4.12Å; F176-M324 HydrophobicContact CD1-CE 3.83Å; F176-M324 HydrophobicContact CD1-CG 4.34Å; F176-M324 HydrophobicContact CD1-SD 3.65Å; F176-M324 HydrophobicContact CE1-CE 4.23Å; F176-M324 HydrophobicContact CG-SD 4.33Å; F176-M324 WeakPolarHBondContact O-CG 3.21Å; F176-F412 HydrophobicContact CB-CD1 3.79Å; F176-F412 HydrophobicContact CB-CE1 3.96Å; F176-F412 HydrophobicContact CB-CG 4.19Å; F176-F412 HydrophobicContact CB-CZ 4.48Å; F176-F412 HydrophobicContact CD2-CD1 4.49Å; F176-F412 HydrophobicContact CG-CD1 4.4Å
177	A	96.5	Very high	94.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.8	-47	177.9	0	0	0	0	0	111.9	L173 Y174 G175 S180 I181 F412 L436 A441 Y473	L173-A177 PolarHBondContact O-N 3.14Å; Y174-A177 PolarHBondContact O-N 2.92Å; Y174-A177 VanDerWaalsContact O-N 3.13Å; G175-A177 PolarHBondContact O-N 2.62Å; A177-S180 PolarHBondContact O-N 3.01Å; A177-S180 PolarHBondContact O-OG 3.01Å; A177-I181 WeakPolarHBondContact O-CG1 3.36Å; A177-I181 PolarHBondContact O-N 3.47Å; A177-I181 VanDerWaalsContact O-N 3.08Å; A177-F412 HydrophobicContact CB-CE2 4.26Å; A177-L436 HydrophobicContact CB-CD2 4.28Å; A177-A441 HydrophobicContact CB-CB 3.99Å; A177-Y473 HydrophobicContact CB-CE1 4.39Å; A177-Y473 WeakPolarHBondContact CB-OH 3.42Å
178	V	97.3	Very high	94.6	Very high	23 Å²	23	34.8 Å²	34.8	14%	0.139	17%	0.173	C	C	.	.	H	α-helix	trans	-62.8	-46	177.9	172.3	0	0	0	0	111.7	Y174 G175 S180 I181 L182 L470 Y473	Y174-V178 HydrophobicContact CD1-CG2 4.06Å; Y174-V178 HydrophobicContact CD2-CG2 4.1Å; Y174-V178 HydrophobicContact CE1-CG2 3.51Å; Y174-V178 HydrophobicContact CE2-CG2 3.55Å; Y174-V178 HydrophobicContact CG-CG2 4.31Å; Y174-V178 WeakPolarHBondContact O-CG2 3.42Å; Y174-V178 PolarHBondContact O-N 3.29Å; Y174-V178 VanDerWaalsContact OH-CG2 3.25Å; Y174-V178 WeakPolarHBondContact OH-CG2 3.48Å; G175-V178 PolarHBondContact O-N 3.37Å; V178-S180 VanDerWaalsContact C-N 3.26Å; V178-S180 PolarHBondContact O-N 3.45Å; V178-I181 PolarHBondContact O-N 3.47Å; V178-I181 VanDerWaalsContact O-N 3.1Å; V178-L182 HydrophobicContact CG1-CD1 3.93Å; V178-L182 HydrophobicContact CG1-CG 4.15Å; V178-L182 WeakPolarHBondContact O-CG 3.48Å; V178-L182 PolarHBondContact O-N 2.93Å; V178-L470 HydrophobicContact CG1-CD1 4.41Å; V178-Y473 HydrophobicContact CG2-CE1 4.31Å
179	I	97.4	Very high	94.9	Very high	78 Å²	78	32.9 Å²	32.9	40%	0.4	16%	0.163	S	C	.	.	H	α-helix	trans	-57.9	-42.8	177.2	-69.9	165.5	0	0	0	110.1	G175 I181 L182 L183 M324	G175-I179 WeakPolarHBondContact O-CB 3.39Å; G175-I179 WeakPolarHBondContact O-CD1 3.38Å; G175-I179 WeakPolarHBondContact O-CG1 3.21Å; G175-I179 PolarHBondContact O-N 3.36Å; I179-I181 VanDerWaalsContact C-N 3.34Å; I179-I181 PolarHBondContact O-N 3.28Å; I179-L182 PolarHBondContact O-N 3.48Å; I179-L183 HydrophobicContact CG2-CD1 4.08Å; I179-L183 HydrophobicContact CG2-CG 4.23Å; I179-L183 WeakPolarHBondContact O-CB 3.47Å; I179-L183 VanDerWaalsContact O-CG 3.3Å; I179-L183 WeakPolarHBondContact O-CG 3.48Å; I179-L183 PolarHBondContact O-N 3.46Å; I179-M324 HydrophobicContact CB-SD 3.86Å; I179-M324 HydrophobicContact CD1-SD 4.42Å; I179-M324 HydrophobicContact CG2-SD 3.65Å
180	S	97.4	Very high	95.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.9	-39	177.1	76.2	0	0	0	0	113.1	F176 A177 V178 G184 M324 V327 A328	F176-S180 PolarHBondContact O-N 2.95Å; A177-S180 PolarHBondContact O-N 3.01Å; A177-S180 PolarHBondContact O-OG 3.01Å; V178-S180 VanDerWaalsContact C-N 3.26Å; V178-S180 PolarHBondContact O-N 3.45Å; S180-G184 PolarHBondContact O-N 3.02Å; S180-M324 WeakPolarHBondContact CB-O 3.3Å; S180-V327 VanDerWaalsContact OG-CG1 3.29Å; S180-V327 WeakPolarHBondContact OG-CG1 3.45Å; S180-A328 WeakPolarHBondContact O-CA 3.4Å; S180-A328 WeakPolarHBondContact O-CB 3.33Å
181	I	97.3	Very high	95.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.9	-43.9	175.5	-64.8	167.5	0	0	0	110.7	A177 V178 I179 G184 A185 I331 I448 Q449 F466 L470 Y473	A177-I181 WeakPolarHBondContact O-CG1 3.36Å; A177-I181 PolarHBondContact O-N 3.47Å; A177-I181 VanDerWaalsContact O-N 3.08Å; V178-I181 PolarHBondContact O-N 3.47Å; V178-I181 VanDerWaalsContact O-N 3.1Å; I179-I181 VanDerWaalsContact C-N 3.34Å; I179-I181 PolarHBondContact O-N 3.28Å; I181-G184 PolarHBondContact O-N 2.97Å; I181-A185 WeakPolarHBondContact O-CB 3.27Å; I181-A185 PolarHBondContact O-N 3.22Å; I181-I331 HydrophobicContact CG1-CD1 4.3Å; I181-I448 HydrophobicContact CD1-CD1 4.31Å; I181-I448 HydrophobicContact CG2-CB 4.37Å; I181-I448 HydrophobicContact CG2-CG2 3.83Å; I181-Q449 PolarHBondContact O-NE2 2.92Å; I181-F466 HydrophobicContact CG2-CE2 4.38Å; I181-L470 HydrophobicContact CG2-CD1 4.2Å; I181-Y473 HydrophobicContact CD1-CD1 4.03Å; I181-Y473 HydrophobicContact CD1-CE1 3.86Å; I181-Y473 HydrophobicContact CD1-CG 4.49Å
182	L	97.6	Very high	95	Very high	64 Å²	64	32.6 Å²	32.6	34%	0.335	17%	0.166	S	C	.	.	H	α-helix	trans	-61.9	-44	177	-67.3	175.8	0	0	0	112	V178 I179 A185 W186 F466 W467 L470	V178-L182 HydrophobicContact CG1-CD1 3.93Å; V178-L182 HydrophobicContact CG1-CG 4.15Å; V178-L182 WeakPolarHBondContact O-CG 3.48Å; V178-L182 PolarHBondContact O-N 2.93Å; I179-L182 PolarHBondContact O-N 3.48Å; L182-A185 PolarHBondContact O-N 3.25Å; L182-W186 PolarHBondContact O-N 3.23Å; L182-F466 HydrophobicContact CD2-CE1 4.26Å; L182-F466 HydrophobicContact CD2-CZ 3.98Å; L182-W467 HydrophobicContact CD2-CH2 4.31Å; L182-L470 HydrophobicContact CD2-CD2 3.96Å
183	L	97.2	Very high	94.8	Very high	30 Å²	30	34.9 Å²	34.9	16%	0.157	18%	0.175	C	C	.	.	H	α-helix	trans	-62.9	-42.4	176.3	-70.1	-179.8	0	0	0	111.7	I179 A185 W186 I187 F257 F325 A328	I179-L183 HydrophobicContact CG2-CD1 4.08Å; I179-L183 HydrophobicContact CG2-CG 4.23Å; I179-L183 WeakPolarHBondContact O-CB 3.47Å; I179-L183 VanDerWaalsContact O-CG 3.3Å; I179-L183 WeakPolarHBondContact O-CG 3.48Å; I179-L183 PolarHBondContact O-N 3.46Å; L183-A185 VanDerWaalsContact C-N 3.31Å; L183-A185 PolarHBondContact O-N 2.83Å; L183-W186 HydrophobicContact CD2-CE3 4.35Å; L183-W186 PolarHBondContact O-N 3.11Å; L183-I187 WeakPolarHBondContact O-CG1 3.24Å; L183-I187 PolarHBondContact O-N 3.36Å; L183-F257 HydrophobicContact CB-CE2 4.25Å; L183-F257 HydrophobicContact CD1-CE2 4.33Å; L183-F257 HydrophobicContact CD1-CZ 4.42Å; L183-F257 HydrophobicContact CD2-CE2 3.85Å; L183-F257 HydrophobicContact CD2-CZ 3.79Å; L183-F257 HydrophobicContact CG-CE2 4.36Å; L183-F325 HydrophobicContact CD1-CD1 4.42Å; L183-F325 HydrophobicContact CD1-CE1 4.21Å; L183-A328 HydrophobicContact CB-CB 3.81Å
184	G	96.2	Very high	94.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.1	-36.5	174.7	0	0	0	0	0	112.7	S180 I181 I187 I188 Q449	S180-G184 PolarHBondContact O-N 3.02Å; I181-G184 PolarHBondContact O-N 2.97Å; G184-I187 PolarHBondContact O-N 3.43Å; G184-I188 WeakPolarHBondContact O-CG1 3.36Å; G184-I188 PolarHBondContact O-N 3.46Å; G184-I188 VanDerWaalsContact O-N 3.11Å; G184-Q449 VanDerWaalsContact CA-NE2 3.27Å
185	A	95.6	Very high	94.1	Very high	2 Å²	2	41.2 Å²	41.2	2%	0.017	21%	0.205	C	C	.	.	H	α-helix	trans	-68.6	-40.5	-179.9	0	0	0	0	0	110.3	I181 L182 L183 I187 I188 I189 Q449 A452 F466	I181-A185 WeakPolarHBondContact O-CB 3.27Å; I181-A185 PolarHBondContact O-N 3.22Å; L182-A185 PolarHBondContact O-N 3.25Å; L183-A185 VanDerWaalsContact C-N 3.31Å; L183-A185 PolarHBondContact O-N 2.83Å; A185-I187 PolarHBondContact O-N 3.42Å; A185-I188 PolarHBondContact O-N 3.11Å; A185-I189 WeakPolarHBondContact O-CB 3.35Å; A185-I189 WeakPolarHBondContact O-CG1 3.42Å; A185-I189 PolarHBondContact O-N 3.36Å; A185-Q449 VanDerWaalsContact CB-OE1 3.25Å; A185-A452 HydrophobicContact CB-CB 4.26Å; A185-F466 HydrophobicContact CB-CD2 4.3Å; A185-F466 HydrophobicContact CB-CE1 4.43Å; A185-F466 HydrophobicContact CB-CE2 3.43Å; A185-F466 VanDerWaalsContact CB-CE2 3.43Å; A185-F466 HydrophobicContact CB-CZ 3.5Å; A185-F466 VanDerWaalsContact CB-CZ 3.5Å
186	W	95.9	Very high	93.6	Very high	113 Å²	113	41.1 Å²	41.1	43%	0.428	20%	0.199	S	C	.	.	H	α-helix	trans	-58.1	-46.9	173.3	-175.2	9.4	0	0	0	111.7	L182 L183 I188 I189 V190 F260 H264	L182-W186 PolarHBondContact O-N 3.23Å; L183-W186 HydrophobicContact CD2-CE3 4.35Å; L183-W186 PolarHBondContact O-N 3.11Å; W186-I188 VanDerWaalsContact C-N 3.3Å; W186-I188 PolarHBondContact O-N 3.23Å; W186-I189 PolarHBondContact O-N 3.07Å; W186-V190 WeakPolarHBondContact O-CG2 3.3Å; W186-V190 PolarHBondContact O-N 3.05Å; W186-V190 VanDerWaalsContact O-N 3.07Å; W186-F260 AromaticContact CD1-CZ 3.89Å; W186-F260 HydrophobicContact CD2-CE1 4.15Å; W186-F260 HydrophobicContact CG-CE1 4.18Å; W186-F260 HydrophobicContact CG-CZ 4.21Å; W186-F260 AromaticContact NE1-CZ 3.95Å; W186-H264 AromaticContact CZ2-CD2 3.98Å
187	I	94.5	Very high	93.1	Very high	20 Å²	20	44.1 Å²	44.1	10%	0.103	22%	0.216	C	C	.	.	H	α-helix	trans	-57.8	-44.1	177.2	-65.6	162.4	0	0	0	111.3	L183 G184 A185 N191 F257 F260	L183-I187 WeakPolarHBondContact O-CG1 3.24Å; L183-I187 PolarHBondContact O-N 3.36Å; G184-I187 PolarHBondContact O-N 3.43Å; A185-I187 PolarHBondContact O-N 3.42Å; I187-N191 WeakPolarHBondContact O-CB 3.17Å; I187-N191 PolarHBondContact O-N 3Å; I187-N191 PolarHBondContact O-ND2 2.96Å; I187-F257 HydrophobicContact CD1-CD2 4.15Å; I187-F260 HydrophobicContact CB-CE2 4.45Å; I187-F260 HydrophobicContact CB-CZ 4.41Å; I187-F260 HydrophobicContact CG1-CD1 3.73Å; I187-F260 HydrophobicContact CG1-CD2 4.32Å; I187-F260 HydrophobicContact CG1-CE1 3.79Å; I187-F260 HydrophobicContact CG1-CE2 4.38Å; I187-F260 HydrophobicContact CG1-CG 4Å; I187-F260 HydrophobicContact CG1-CZ 4.12Å; I187-F260 HydrophobicContact CG2-CD2 4.41Å
188	I	93.2	Very high	92.5	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.015	24%	0.236	C	C	.	.	H	α-helix	trans	-68.6	-49.3	-179.3	-73	177	0	0	0	111.3	G184 A185 W186 V190 N191 H192 L195 Q449 F453	G184-I188 WeakPolarHBondContact O-CG1 3.36Å; G184-I188 PolarHBondContact O-N 3.46Å; G184-I188 VanDerWaalsContact O-N 3.11Å; A185-I188 PolarHBondContact O-N 3.11Å; W186-I188 VanDerWaalsContact C-N 3.3Å; W186-I188 PolarHBondContact O-N 3.23Å; I188-V190 VanDerWaalsContact C-N 3.3Å; I188-V190 PolarHBondContact O-N 3.1Å; I188-N191 CarbonylContact O-C 3.53Å; I188-N191 PolarHBondContact O-N 2.66Å; I188-N191 VanDerWaalsContact O-N 3.11Å; I188-H192 WeakPolarHBondContact O-CA 3.39Å; I188-H192 WeakPolarHBondContact O-CB 3.27Å; I188-H192 PolarHBondContact O-N 2.92Å; I188-L195 HydrophobicContact CB-CD1 4.47Å; I188-L195 HydrophobicContact CG1-CD1 4.32Å; I188-L195 HydrophobicContact CG2-CD1 4.35Å; I188-Q449 HydrophobicContact CD1-CB 3.38Å; I188-Q449 HydrophobicContact CD1-CG 3.62Å; I188-F453 HydrophobicContact CG2-CB 3.63Å; I188-F453 HydrophobicContact CG2-CD2 4.05Å; I188-F453 HydrophobicContact CG2-CG 4.32Å
189	I	93.5	Very high	91.7	Very high	37 Å²	37	46.7 Å²	46.7	19%	0.19	23%	0.232	C	C	.	.	H	α-helix	trans	-60	-42.4	-176.7	-71	166.6	0	0	0	110.3	A185 W186 N191 H192 A452 Y463	A185-I189 WeakPolarHBondContact O-CB 3.35Å; A185-I189 WeakPolarHBondContact O-CG1 3.42Å; A185-I189 PolarHBondContact O-N 3.36Å; W186-I189 PolarHBondContact O-N 3.07Å; I189-N191 VanDerWaalsContact C-N 3.35Å; I189-N191 PolarHBondContact O-N 2.9Å; I189-H192 PolarHBondContact O-ND1 3.2Å; I189-A452 HydrophobicContact CG1-CB 4.4Å; I189-Y463 HydrophobicContact CD1-CD1 3.93Å; I189-Y463 HydrophobicContact CD1-CE1 3.77Å; I189-Y463 HydrophobicContact CD1-CG 4.45Å; I189-Y463 HydrophobicContact CG1-CD1 4.27Å; I189-Y463 HydrophobicContact CG1-CE1 3.78Å; I189-Y463 HydrophobicContact CG2-CE1 3.98Å; I189-Y463 VanDerWaalsContact CG2-OH 3.23Å; I189-Y463 WeakPolarHBondContact CG2-OH 3.46Å
190	V	92.3	Very high	90.8	Very high	57 Å²	57	44.9 Å²	44.9	35%	0.345	23%	0.229	S	C	.	.	H	α-helix	trans	-69.8	-33.1	178.4	170.4	0	0	0	0	112.1	W186 I188 F260	W186-V190 WeakPolarHBondContact O-CG2 3.3Å; W186-V190 PolarHBondContact O-N 3.05Å; W186-V190 VanDerWaalsContact O-N 3.07Å; I188-V190 VanDerWaalsContact C-N 3.3Å; I188-V190 PolarHBondContact O-N 3.1Å; V190-F260 HydrophobicContact CB-CE2 3.84Å; V190-F260 HydrophobicContact CB-CZ 3.99Å; V190-F260 HydrophobicContact CG1-CE2 3.83Å; V190-F260 HydrophobicContact CG1-CZ 4.29Å; V190-F260 HydrophobicContact CG2-CE2 4.43Å; V190-F260 HydrophobicContact CG2-CZ 4.1Å
191	N	90.5	Very high	90	Very high	38 Å²	38	51.8 Å²	51.8	20%	0.203	26%	0.259	C	S	.	.	H	α-helix	trans	-102.3	12.6	-176.1	-65.2	-60.2	0	0	0	114.3	I187 I188 I189 E193 K194 L195 F260	I187-N191 WeakPolarHBondContact O-CB 3.17Å; I187-N191 PolarHBondContact O-N 3Å; I187-N191 PolarHBondContact O-ND2 2.96Å; I188-N191 CarbonylContact O-C 3.53Å; I188-N191 PolarHBondContact O-N 2.66Å; I188-N191 VanDerWaalsContact O-N 3.11Å; I189-N191 VanDerWaalsContact C-N 3.35Å; I189-N191 PolarHBondContact O-N 2.9Å; N191-E193 VanDerWaalsContact C-N 3.32Å; N191-E193 PolarHBondContact O-N 3.46Å; N191-K194 PolarHBondContact O-N 2.83Å; N191-K194 VanDerWaalsContact O-N 3.15Å; N191-L195 HydrophobicContact CB-CD1 4.25Å; N191-L195 HydrophobicContact CB-CG 4.46Å; N191-L195 WeakPolarHBondContact O-CG 3.48Å; N191-L195 PolarHBondContact O-N 3.33Å; N191-F260 WeakPolarHBondContact ND2-CE2 3.34Å
192	H	90	Very high	88.9	Confident	38 Å²	38	56.1 Å²	56.1	18%	0.176	28%	0.279	C	S	.	.	H	α-helix	trans	-59.1	-38.4	-169.2	70.4	-77.9	0	0	0	113	I188 I189 L195 L196 F453 A456	I188-H192 WeakPolarHBondContact O-CA 3.39Å; I188-H192 WeakPolarHBondContact O-CB 3.27Å; I188-H192 PolarHBondContact O-N 2.92Å; I189-H192 PolarHBondContact O-ND1 3.2Å; H192-L195 PolarHBondContact O-N 3.26Å; H192-L196 VanDerWaalsContact O-CB 3.3Å; H192-L196 WeakPolarHBondContact O-CB 3.28Å; H192-L196 PolarHBondContact O-N 3.39Å; H192-F453 HydrophobicContact CB-CD2 4.19Å; H192-F453 HydrophobicContact CB-CE2 4.29Å; H192-F453 WeakPolarHBondContact O-CE2 3.41Å; H192-A456 HydrophobicContact CB-CB 3.68Å
193	E	88	Confident	87.7	Confident	122 Å²	122	57.9 Å²	57.9	57%	0.57	29%	0.286	S	S	*	.	H	α-helix	trans	-64.3	-44.5	178	-62.1	-176	164.8	0	0	112.3	N191 L195 L196 L197	N191-E193 VanDerWaalsContact C-N 3.32Å; N191-E193 PolarHBondContact O-N 3.46Å; E193-L195 VanDerWaalsContact C-N 3.32Å; E193-L195 PolarHBondContact O-N 3.29Å; E193-L196 PolarHBondContact O-N 3.18Å; E193-L197 WeakPolarHBondContact O-CG 3.39Å; E193-L197 PolarHBondContact O-N 3.34Å
194	K	86.8	Confident	86.3	Confident	135 Å²	135	60.8 Å²	60.8	59%	0.587	31%	0.309	S	S	*	.	H	α-helix	trans	-64.5	-39.7	176.3	-67.1	177.4	-177.9	168.4	0	111.2	N191 S198	N191-K194 PolarHBondContact O-N 2.83Å; N191-K194 VanDerWaalsContact O-N 3.15Å; K194-S198 WeakPolarHBondContact O-CB 3.17Å; K194-S198 PolarHBondContact O-N 3.49Å
195	L	86.6	Confident	84.8	Confident	43 Å²	43	67.4 Å²	67.4	23%	0.225	34%	0.341	C	S	.	.	H	α-helix	trans	-66.4	-41.1	176.3	-73.6	167.8	0	0	0	111.5	I188 N191 H192 E193 S198 Y199 I336 F453	I188-L195 HydrophobicContact CB-CD1 4.47Å; I188-L195 HydrophobicContact CG1-CD1 4.32Å; I188-L195 HydrophobicContact CG2-CD1 4.35Å; N191-L195 HydrophobicContact CB-CD1 4.25Å; N191-L195 HydrophobicContact CB-CG 4.46Å; N191-L195 WeakPolarHBondContact O-CG 3.48Å; N191-L195 PolarHBondContact O-N 3.33Å; H192-L195 PolarHBondContact O-N 3.26Å; E193-L195 VanDerWaalsContact C-N 3.32Å; E193-L195 PolarHBondContact O-N 3.29Å; L195-S198 PolarHBondContact O-N 3.14Å; L195-Y199 VanDerWaalsContact O-CB 3.3Å; L195-Y199 WeakPolarHBondContact O-CB 3.19Å; L195-Y199 PolarHBondContact O-N 3.28Å; L195-I336 HydrophobicContact CB-CD1 3.94Å; L195-I336 HydrophobicContact CD1-CD1 4.29Å; L195-I336 HydrophobicContact CD2-CD1 4.18Å; L195-I336 HydrophobicContact CG-CD1 4.36Å; L195-F453 HydrophobicContact CB-CD2 4.35Å; L195-F453 HydrophobicContact CB-CE2 3.67Å; L195-F453 HydrophobicContact CB-CZ 4.35Å
196	L	86.3	Confident	83.1	Confident	23 Å²	23	70.8 Å²	70.8	12%	0.12	36%	0.358	C	S	.	.	H	α-helix	trans	-62.2	-44.9	176	-176.1	66.1	0	0	0	111.3	H192 E193 Y199 A200 F453 L526	H192-L196 VanDerWaalsContact O-CB 3.3Å; H192-L196 WeakPolarHBondContact O-CB 3.28Å; H192-L196 PolarHBondContact O-N 3.39Å; E193-L196 PolarHBondContact O-N 3.18Å; L196-Y199 PolarHBondContact O-N 3.24Å; L196-A200 WeakPolarHBondContact O-CB 3.24Å; L196-A200 PolarHBondContact O-N 3.3Å; L196-F453 HydrophobicContact CB-CE2 4.46Å; L196-F453 HydrophobicContact CB-CZ 4.18Å; L196-F453 HydrophobicContact CD1-CZ 4.24Å; L196-L526 HydrophobicContact CD1-CB 4.14Å; L196-L526 HydrophobicContact CD1-CD2 3.66Å
197	L	85.5	Confident	81.1	Confident	100 Å²	100	71.7 Å²	71.7	52%	0.524	38%	0.379	S	S	.	.	H	α-helix	trans	-60.6	-44.4	173.8	-75.9	164.6	0	0	0	112.2	E193 Y199 A200 K201 L529	E193-L197 WeakPolarHBondContact O-CG 3.39Å; E193-L197 PolarHBondContact O-N 3.34Å; L197-Y199 VanDerWaalsContact C-N 3.33Å; L197-Y199 PolarHBondContact O-N 3.05Å; L197-A200 PolarHBondContact O-N 3.48Å; L197-K201 WeakPolarHBondContact O-CB 3.44Å; L197-K201 PolarHBondContact O-N 3.46Å; L197-L529 HydrophobicContact CD2-CD1 3.38Å; L197-L529 HydrophobicContact CG-CD1 4.32Å
198	S	83.6	Confident	79.6	Confident	59 Å²	59	78.8 Å²	78.8	41%	0.413	41%	0.409	S	S	.	.	H	α-helix	trans	-64.2	-39.3	176.6	-166.1	0	0	0	0	111.8	K194 L195 H202	K194-S198 WeakPolarHBondContact O-CB 3.17Å; K194-S198 PolarHBondContact O-N 3.49Å; L195-S198 PolarHBondContact O-N 3.14Å; S198-H202 WeakPolarHBondContact O-CB 3.42Å; S198-H202 PolarHBondContact O-CD2 2.86Å; S198-H202 VanDerWaalsContact O-CD2 3.22Å; S198-H202 PolarHBondContact O-N 3.46Å
199	Y	79.6	Confident	78.1	Confident	18 Å²	18	79.3 Å²	79.3	7%	0.071	41%	0.411	C	S	.	.	H	α-helix	trans	-66.3	-48.3	177.5	178.4	-93.8	0	0	0	111.2	L195 L196 L197 K201 H202 Q203 F209 P338 L526	L195-Y199 VanDerWaalsContact O-CB 3.3Å; L195-Y199 WeakPolarHBondContact O-CB 3.19Å; L195-Y199 PolarHBondContact O-N 3.28Å; L196-Y199 PolarHBondContact O-N 3.24Å; L197-Y199 VanDerWaalsContact C-N 3.33Å; L197-Y199 PolarHBondContact O-N 3.05Å; Y199-K201 VanDerWaalsContact C-N 3.31Å; Y199-K201 PolarHBondContact O-N 3.01Å; Y199-H202 PolarHBondContact O-N 3.45Å; Y199-H202 VanDerWaalsContact O-N 3.14Å; Y199-Q203 VanDerWaalsContact CE1-OE1 3.22Å; Y199-Q203 WeakPolarHBondContact O-CB 3.48Å; Y199-Q203 PolarHBondContact O-N 3.39Å; Y199-F209 HydrophobicContact CE2-CE1 4.04Å; Y199-P338 HydrophobicContact CE2-CB 4.19Å; Y199-P338 WeakPolarHBondContact OH-CB 3.3Å; Y199-L526 HydrophobicContact CE1-CD1 3.93Å
200	A	80.2	Confident	76.7	Confident	40 Å²	40	84.9 Å²	84.9	33%	0.331	43%	0.434	S	S	.	.	H	α-helix	trans	-59.2	-42.2	176.8	0	0	0	0	0	111.7	L196 L197 Q203 S204	L196-A200 WeakPolarHBondContact O-CB 3.24Å; L196-A200 PolarHBondContact O-N 3.3Å; L197-A200 PolarHBondContact O-N 3.48Å; A200-Q203 PolarHBondContact O-N 2.92Å; A200-S204 PolarHBondContact O-N 3.24Å
201	K	79.7	Confident	75.6	Confident	145 Å²	145	86.2 Å²	86.2	63%	0.63	45%	0.446	S	S	*	.	H	α-helix	trans	-64.7	-41	174.6	-173.3	176.8	-177.6	175	0	112.6	L197 Y199 Q203 S204 M205	L197-K201 WeakPolarHBondContact O-CB 3.44Å; L197-K201 PolarHBondContact O-N 3.46Å; Y199-K201 VanDerWaalsContact C-N 3.31Å; Y199-K201 PolarHBondContact O-N 3.01Å; K201-Q203 VanDerWaalsContact C-N 3.34Å; K201-S204 PolarHBondContact O-N 3.33Å; K201-S204 PolarHBondContact O-OG 3.43Å; K201-M205 WeakPolarHBondContact O-CB 3.41Å; K201-M205 WeakPolarHBondContact O-CG 3.39Å; K201-M205 PolarHBondContact O-N 3.06Å; K201-M205 VanDerWaalsContact O-N 3.13Å
202	H	73.4	Confident	74.8	Confident	92 Å²	92	85.8 Å²	85.8	43%	0.426	45%	0.446	S	S	.	.	H	α-helix	trans	-67	-37.8	176	-89.2	-61.1	0	0	0	112.3	S198 Y199 M205 L206 F209	S198-H202 WeakPolarHBondContact O-CB 3.42Å; S198-H202 PolarHBondContact O-CD2 2.86Å; S198-H202 VanDerWaalsContact O-CD2 3.22Å; S198-H202 PolarHBondContact O-N 3.46Å; Y199-H202 PolarHBondContact O-N 3.45Å; Y199-H202 VanDerWaalsContact O-N 3.14Å; H202-M205 PolarHBondContact O-N 3.46Å; H202-L206 PolarHBondContact O-N 2.97Å; H202-F209 HydrophobicContact CB-CE2 4.17Å
203	Q	72.9	Confident	74.1	Confident	101 Å²	101	84.5 Å²	84.5	47%	0.472	44%	0.44	S	S	.	.	H	α-helix	trans	-66.5	-39.1	176.7	-172.4	171.5	-1	0	0	111.7	Y199 A200 K201	Y199-Q203 VanDerWaalsContact CE1-OE1 3.22Å; Y199-Q203 WeakPolarHBondContact O-CB 3.48Å; Y199-Q203 PolarHBondContact O-N 3.39Å; A200-Q203 PolarHBondContact O-N 2.92Å; K201-Q203 VanDerWaalsContact C-N 3.34Å
204	S	68.6	Low	73.8	Confident	91 Å²	91	83.3 Å²	83.3	64%	0.636	43%	0.431	S	S	*	.	H	α-helix	trans	-70.4	-34.5	177.6	71.8	0	0	0	0	113	A200 K201 L206	A200-S204 PolarHBondContact O-N 3.24Å; K201-S204 PolarHBondContact O-N 3.33Å; K201-S204 PolarHBondContact O-OG 3.43Å; S204-L206 VanDerWaalsContact C-N 3.33Å
205	M	63.2	Low	73.7	Confident	138 Å²	138	81.8 Å²	81.8	68%	0.68	43%	0.429	S	S	*	.	H	α-helix	trans	-75.3	-21.5	-179.3	-69.2	-73.1	-72.7	0	0	113.3	K201 H202	K201-M205 WeakPolarHBondContact O-CB 3.41Å; K201-M205 WeakPolarHBondContact O-CG 3.39Å; K201-M205 PolarHBondContact O-N 3.06Å; K201-M205 VanDerWaalsContact O-N 3.13Å; H202-M205 PolarHBondContact O-N 3.46Å
206	L	61.3	Low	73.6	Confident	73 Å²	73	85.9 Å²	85.9	38%	0.382	44%	0.443	S	S	.	.			trans	-125.6	86.5	-176.4	-72.5	165.4	0	0	0	109.7	H202 S204 K208 F209	H202-L206 PolarHBondContact O-N 2.97Å; S204-L206 VanDerWaalsContact C-N 3.33Å; L206-K208 PolarHBondContact O-N 2.84Å; L206-F209 HydrophobicContact CB-CB 4.1Å; L206-F209 HydrophobicContact CB-CD2 4.06Å; L206-F209 HydrophobicContact CD1-CD2 3.9Å; L206-F209 HydrophobicContact CD1-CE2 4.4Å; L206-F209 VanDerWaalsContact O-CB 3.28Å; L206-F209 WeakPolarHBondContact O-CB 3.17Å; L206-F209 PolarHBondContact O-N 3.44Å
207	P	54.4	Low	73.6	Confident	132 Å²	132	85.5 Å²	85.5	86%	0.857	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-12.9	171.1	20.6	-30.7	0	0	0	113
208	K	62.2	Low	73.8	Confident	169 Å²	169	85.4 Å²	85.4	74%	0.735	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	15.4	173.6	-62.4	-175.4	179.8	179.4	0	114.9	L206 K210 S211 S212	L206-K208 PolarHBondContact O-N 2.84Å; K208-K210 VanDerWaalsContact C-N 3.26Å; K208-K210 PolarHBondContact O-N 2.83Å; K208-K210 VanDerWaalsContact O-N 3.08Å; K208-S211 PolarHBondContact O-N 3.32Å; K208-S212 PolarHBondContact O-N 3.42Å
209	F	61.9	Low	74	Confident	15 Å²	15	85.7 Å²	85.7	7%	0.066	44%	0.439	C	S	.	.	H	α-helix	trans	-52.4	-37.2	-170.1	-165	-110.1	0	0	0	114.3	Y199 H202 L206 S211 S212 L213 L335	Y199-F209 HydrophobicContact CE2-CE1 4.04Å; H202-F209 HydrophobicContact CB-CE2 4.17Å; L206-F209 HydrophobicContact CB-CB 4.1Å; L206-F209 HydrophobicContact CB-CD2 4.06Å; L206-F209 HydrophobicContact CD1-CD2 3.9Å; L206-F209 HydrophobicContact CD1-CE2 4.4Å; L206-F209 VanDerWaalsContact O-CB 3.28Å; L206-F209 WeakPolarHBondContact O-CB 3.17Å; L206-F209 PolarHBondContact O-N 3.44Å; F209-S211 PolarHBondContact O-N 3.4Å; F209-S212 WeakPolarHBondContact O-CB 3.33Å; F209-S212 PolarHBondContact O-N 3.46Å; F209-L213 HydrophobicContact CD1-CD1 3.78Å; F209-L213 HydrophobicContact CD1-CG 4.39Å; F209-L213 HydrophobicContact CE1-CD1 3.62Å; F209-L213 HydrophobicContact CE1-CD2 4.5Å; F209-L213 HydrophobicContact CE1-CG 4.16Å; F209-L213 HydrophobicContact CZ-CD1 4.39Å; F209-L213 PolarHBondContact O-N 2.88Å; F209-L213 VanDerWaalsContact O-N 3.17Å; F209-L335 HydrophobicContact CZ-CD1 4.24Å; F209-L335 HydrophobicContact CZ-CD2 4.3Å
210	K	64.4	Low	74.5	Confident	153 Å²	153	87.5 Å²	87.5	67%	0.665	45%	0.453	S	S	*	.	H	α-helix	trans	-60.9	-43.9	177.8	-69.2	-177	178.7	175.8	0	112.7	K208 S212 L213 Y214	K208-K210 VanDerWaalsContact C-N 3.26Å; K208-K210 PolarHBondContact O-N 2.83Å; K208-K210 VanDerWaalsContact O-N 3.08Å; K210-S212 VanDerWaalsContact C-N 3.31Å; K210-S212 PolarHBondContact O-N 3.28Å; K210-L213 PolarHBondContact O-N 3.11Å; K210-Y214 WeakPolarHBondContact O-CD2 3.38Å; K210-Y214 WeakPolarHBondContact O-CE2 3.36Å
211	S	68.7	Low	75	Confident	86 Å²	86	87.6 Å²	87.6	60%	0.601	45%	0.448	S	S	*	.	H	α-helix	trans	-67.9	-33.7	177.9	-169.2	0	0	0	0	112	K208 F209 L213 L215	K208-S211 PolarHBondContact O-N 3.32Å; F209-S211 PolarHBondContact O-N 3.4Å; S211-L213 VanDerWaalsContact C-N 3.3Å; S211-L213 PolarHBondContact O-N 3.39Å; S211-L215 PolarHBondContact O-N 3.4Å
212	S	73.1	Confident	75.6	Confident	28 Å²	28	84.5 Å²	84.5	20%	0.196	44%	0.441	C	S	.	.	H	α-helix	trans	-65	-35.2	177.9	-164.9	0	0	0	0	112	K208 F209 K210 L215 Y216	K208-S212 PolarHBondContact O-N 3.42Å; F209-S212 WeakPolarHBondContact O-CB 3.33Å; F209-S212 PolarHBondContact O-N 3.46Å; K210-S212 VanDerWaalsContact C-N 3.31Å; K210-S212 PolarHBondContact O-N 3.28Å; S212-L215 WeakPolarHBondContact O-CB 3.41Å; S212-L215 PolarHBondContact O-N 3Å; S212-Y216 WeakPolarHBondContact O-CD2 3.43Å; S212-Y216 PolarHBondContact O-N 3.49Å; S212-Y216 WeakPolarHBondContact OG-CE2 3.25Å
213	L	75.8	Confident	76.5	Confident	11 Å²	11	85.1 Å²	85.1	6%	0.058	45%	0.446	C	S	.	.	H	α-helix	trans	-69.4	-42.1	-179.8	-76.7	167.4	0	0	0	113.4	F209 K210 S211 L215 Y216 I217 L335 P338	F209-L213 HydrophobicContact CD1-CD1 3.78Å; F209-L213 HydrophobicContact CD1-CG 4.39Å; F209-L213 HydrophobicContact CE1-CD1 3.62Å; F209-L213 HydrophobicContact CE1-CD2 4.5Å; F209-L213 HydrophobicContact CE1-CG 4.16Å; F209-L213 HydrophobicContact CZ-CD1 4.39Å; F209-L213 PolarHBondContact O-N 2.88Å; F209-L213 VanDerWaalsContact O-N 3.17Å; K210-L213 PolarHBondContact O-N 3.11Å; S211-L213 VanDerWaalsContact C-N 3.3Å; S211-L213 PolarHBondContact O-N 3.39Å; L213-L215 VanDerWaalsContact C-N 3.25Å; L213-L215 PolarHBondContact O-N 3.07Å; L213-Y216 HydrophobicContact CD2-CD2 4.46Å; L213-Y216 PolarHBondContact O-N 3.22Å; L213-Y216 VanDerWaalsContact O-N 3.14Å; L213-I217 PolarHBondContact O-N 3.22Å; L213-L335 HydrophobicContact CD2-CD2 3.37Å; L213-L335 HydrophobicContact CD2-CG 4.11Å; L213-P338 HydrophobicContact CD1-CB 4.12Å; L213-P338 VanDerWaalsContact CD1-CD 3.47Å; L213-P338 HydrophobicContact CD1-CG 3.34Å
214	Y	82	Confident	77.2	Confident	97 Å²	97	82 Å²	82	38%	0.38	44%	0.435	S	S	.	.	H	α-helix	trans	-60.6	-40.2	172.6	-59.6	-55.3	0	0	0	111.2	K210 Y216 I217 I218 V342 L345	K210-Y214 WeakPolarHBondContact O-CD2 3.38Å; K210-Y214 WeakPolarHBondContact O-CE2 3.36Å; Y214-Y216 PolarHBondContact O-N 3.4Å; Y214-I217 PolarHBondContact O-N 2.95Å; Y214-I218 WeakPolarHBondContact O-CG1 3.46Å; Y214-I218 PolarHBondContact O-N 3.08Å; Y214-I218 VanDerWaalsContact O-N 3.09Å; Y214-V342 HydrophobicContact CE1-CG2 4.23Å; Y214-L345 HydrophobicContact CD1-CD2 3.33Å; Y214-L345 HydrophobicContact CE1-CD2 3.61Å
215	L	84.6	Confident	78.4	Confident	104 Å²	104	79.5 Å²	79.5	55%	0.545	42%	0.416	S	S	.	.	H	α-helix	trans	-60.9	-43.3	173.2	-174.6	70.7	0	0	0	111.6	S211 S212 L213 I217 I218 V219	S211-L215 PolarHBondContact O-N 3.4Å; S212-L215 WeakPolarHBondContact O-CB 3.41Å; S212-L215 PolarHBondContact O-N 3Å; L213-L215 VanDerWaalsContact C-N 3.25Å; L213-L215 PolarHBondContact O-N 3.07Å; L215-I217 PolarHBondContact O-N 3.14Å; L215-I218 PolarHBondContact O-N 3.32Å; L215-V219 HydrophobicContact CD1-CG2 4.39Å; L215-V219 HydrophobicContact CG-CG2 4.25Å; L215-V219 WeakPolarHBondContact O-CB 3.44Å; L215-V219 VanDerWaalsContact O-CG2 3.24Å; L215-V219 WeakPolarHBondContact O-CG2 3.34Å; L215-V219 PolarHBondContact O-N 3.23Å
216	Y	84	Confident	79.7	Confident	129 Å²	129	76.6 Å²	76.6	51%	0.506	41%	0.407	S	S	.	.	H	α-helix	trans	-61.8	-39.8	177	-74.2	-59.1	0	0	0	112.9	S212 L213 Y214 V219 C220 L335	S212-Y216 WeakPolarHBondContact O-CD2 3.43Å; S212-Y216 PolarHBondContact O-N 3.49Å; S212-Y216 WeakPolarHBondContact OG-CE2 3.25Å; L213-Y216 HydrophobicContact CD2-CD2 4.46Å; L213-Y216 PolarHBondContact O-N 3.22Å; L213-Y216 VanDerWaalsContact O-N 3.14Å; Y214-Y216 PolarHBondContact O-N 3.4Å; Y216-V219 PolarHBondContact O-N 3.43Å; Y216-C220 WeakPolarHBondContact O-CB 3.47Å; Y216-C220 PolarHBondContact O-N 3.44Å; Y216-L335 HydrophobicContact CD2-CD2 4.07Å; Y216-L335 HydrophobicContact CE2-CD2 4.17Å
217	I	86.9	Confident	81.1	Confident	14 Å²	14	76.4 Å²	76.4	7%	0.072	41%	0.405	C	S	.	.	H	α-helix	trans	-62.4	-46.4	175.7	-66.6	171.6	0	0	0	110.4	L213 Y214 L215 C220 L221 V342 L345 L346	L213-I217 PolarHBondContact O-N 3.22Å; Y214-I217 PolarHBondContact O-N 2.95Å; L215-I217 PolarHBondContact O-N 3.14Å; I217-C220 PolarHBondContact O-N 3.38Å; I217-L221 PolarHBondContact O-N 3.33Å; I217-V342 HydrophobicContact CD1-CG1 3.63Å; I217-L345 HydrophobicContact CD1-CD2 4.19Å; I217-L346 HydrophobicContact CD1-CB 4.29Å; I217-L346 HydrophobicContact CG1-CD1 4.24Å; I217-L346 HydrophobicContact CG2-CD1 4.21Å
218	I	88.4	Confident	82.9	Confident	99 Å²	99	71 Å²	71	51%	0.508	37%	0.369	S	S	.	.	H	α-helix	trans	-63.7	-46	178.7	-65.6	166.7	0	0	0	110.7	Y214 L215 C220 L221 V222	Y214-I218 WeakPolarHBondContact O-CG1 3.46Å; Y214-I218 PolarHBondContact O-N 3.08Å; Y214-I218 VanDerWaalsContact O-N 3.09Å; L215-I218 PolarHBondContact O-N 3.32Å; I218-C220 VanDerWaalsContact C-N 3.31Å; I218-C220 PolarHBondContact O-N 3.07Å; I218-L221 WeakPolarHBondContact O-CB 3.42Å; I218-L221 PolarHBondContact O-N 2.88Å; I218-V222 HydrophobicContact CG2-CG2 4.36Å; I218-V222 VanDerWaalsContact O-CG2 3.3Å; I218-V222 WeakPolarHBondContact O-CG2 3.47Å; I218-V222 PolarHBondContact O-N 3.01Å
219	V	89.2	Confident	84.3	Confident	65 Å²	65	65.5 Å²	65.5	39%	0.394	35%	0.348	S	S	.	.	H	α-helix	trans	-61.3	-42.5	177.4	169.8	0	0	0	0	110.7	L215 Y216 V222 I223	L215-V219 HydrophobicContact CD1-CG2 4.39Å; L215-V219 HydrophobicContact CG-CG2 4.25Å; L215-V219 WeakPolarHBondContact O-CB 3.44Å; L215-V219 VanDerWaalsContact O-CG2 3.24Å; L215-V219 WeakPolarHBondContact O-CG2 3.34Å; L215-V219 PolarHBondContact O-N 3.23Å; Y216-V219 PolarHBondContact O-N 3.43Å; V219-V222 PolarHBondContact O-N 3.1Å; V219-I223 HydrophobicContact CG1-CD1 3.73Å; V219-I223 HydrophobicContact CG1-CG1 4.41Å; V219-I223 WeakPolarHBondContact O-CB 3.32Å; V219-I223 VanDerWaalsContact O-CG1 3.24Å; V219-I223 WeakPolarHBondContact O-CG1 3.36Å; V219-I223 PolarHBondContact O-N 3.25Å
220	C	88.8	Confident	85.7	Confident	56 Å²	56	68.2 Å²	68.2	38%	0.378	36%	0.363	S	S	.	.	H	α-helix	trans	-60.4	-46.1	175.7	-174	0	0	0	0	111.4	Y216 I217 I218 I223 S224	Y216-C220 WeakPolarHBondContact O-CB 3.47Å; Y216-C220 PolarHBondContact O-N 3.44Å; I217-C220 PolarHBondContact O-N 3.38Å; I218-C220 VanDerWaalsContact C-N 3.31Å; I218-C220 PolarHBondContact O-N 3.07Å; C220-I223 PolarHBondContact O-N 3.22Å; C220-S224 PolarHBondContact O-N 3.08Å; C220-S224 PolarHBondContact O-OG 2.8Å
221	L	91	Very high	87	Confident	42 Å²	42	61.1 Å²	61.1	22%	0.22	33%	0.332	C	S	.	.	H	α-helix	trans	-58.5	-49.2	174.7	-174.1	83.9	0	0	0	111.7	I217 I218 I223 S224 V225 V349 Y353	I217-L221 PolarHBondContact O-N 3.33Å; I218-L221 WeakPolarHBondContact O-CB 3.42Å; I218-L221 PolarHBondContact O-N 2.88Å; L221-I223 VanDerWaalsContact C-N 3.3Å; L221-I223 PolarHBondContact O-N 2.64Å; L221-S224 PolarHBondContact O-N 2.89Å; L221-S224 VanDerWaalsContact O-N 3.16Å; L221-V225 HydrophobicContact CG-CG2 4.39Å; L221-V225 VanDerWaalsContact O-CG2 3.3Å; L221-V225 WeakPolarHBondContact O-CG2 3.37Å; L221-V225 PolarHBondContact O-N 2.89Å; L221-V349 HydrophobicContact CB-CG1 4.37Å; L221-V349 HydrophobicContact CD1-CG1 3.48Å; L221-V349 VanDerWaalsContact CD1-CG1 3.48Å; L221-V349 HydrophobicContact CD2-CG1 3.84Å; L221-V349 HydrophobicContact CG-CG1 4.07Å; L221-Y353 HydrophobicContact CD1-CD2 4.3Å; L221-Y353 HydrophobicContact CD1-CG 4.34Å
222	V	93	Very high	88	Confident	79 Å²	79	58 Å²	58	48%	0.479	31%	0.307	S	S	.	.	H	α-helix	trans	-60.4	-42.4	-179.7	171.1	0	0	0	0	110.5	I218 V219 T226	I218-V222 HydrophobicContact CG2-CG2 4.36Å; I218-V222 VanDerWaalsContact O-CG2 3.3Å; I218-V222 WeakPolarHBondContact O-CG2 3.47Å; I218-V222 PolarHBondContact O-N 3.01Å; V219-V222 PolarHBondContact O-N 3.1Å; V222-T226 VanDerWaalsContact O-CB 3.23Å; V222-T226 WeakPolarHBondContact O-CB 3.49Å; V222-T226 PolarHBondContact O-N 3.42Å; V222-T226 PolarHBondContact O-OG1 2.87Å
223	I	91.3	Very high	88.7	Confident	105 Å²	105	63.1 Å²	63.1	54%	0.538	33%	0.326	S	S	.	.	H	α-helix	trans	-62.7	-46.6	175.3	-69	166.9	0	0	0	110.5	V219 C220 L221 T226 L227	V219-I223 HydrophobicContact CG1-CD1 3.73Å; V219-I223 HydrophobicContact CG1-CG1 4.41Å; V219-I223 WeakPolarHBondContact O-CB 3.32Å; V219-I223 VanDerWaalsContact O-CG1 3.24Å; V219-I223 WeakPolarHBondContact O-CG1 3.36Å; V219-I223 PolarHBondContact O-N 3.25Å; C220-I223 PolarHBondContact O-N 3.22Å; L221-I223 VanDerWaalsContact C-N 3.3Å; L221-I223 PolarHBondContact O-N 2.64Å; I223-T226 PolarHBondContact O-N 3.41Å; I223-L227 VanDerWaalsContact O-CB 3.23Å; I223-L227 WeakPolarHBondContact O-CB 3.3Å; I223-L227 PolarHBondContact O-N 3.31Å
224	S	89.2	Confident	89.5	Confident	35 Å²	35	68.3 Å²	68.3	25%	0.245	35%	0.349	C	S	.	.	H	α-helix	trans	-60.2	-47	178.5	-67	0	0	0	0	112.5	C220 L221 L227 L228	C220-S224 PolarHBondContact O-N 3.08Å; C220-S224 PolarHBondContact O-OG 2.8Å; L221-S224 PolarHBondContact O-N 2.89Å; L221-S224 VanDerWaalsContact O-N 3.16Å; S224-L227 PolarHBondContact O-N 3.23Å; S224-L228 WeakPolarHBondContact O-CB 3.27Å; S224-L228 PolarHBondContact O-N 3.27Å
225	V	91.8	Very high	89.9	Confident	39 Å²	39	63.9 Å²	63.9	24%	0.236	33%	0.331	C	S	.	.	H	α-helix	trans	-61.9	-47.8	176.8	172.3	0	0	0	0	110.9	L221 L227 L228 L229 Y353 F357	L221-V225 HydrophobicContact CG-CG2 4.39Å; L221-V225 VanDerWaalsContact O-CG2 3.3Å; L221-V225 WeakPolarHBondContact O-CG2 3.37Å; L221-V225 PolarHBondContact O-N 2.89Å; V225-L227 PolarHBondContact O-N 3.32Å; V225-L228 PolarHBondContact O-N 3.19Å; V225-L229 HydrophobicContact CG1-CD1 3.87Å; V225-L229 HydrophobicContact CG1-CG 4.46Å; V225-L229 WeakPolarHBondContact O-CG 3.28Å; V225-L229 PolarHBondContact O-N 2.93Å; V225-Y353 HydrophobicContact CG2-CD2 3.7Å; V225-Y353 HydrophobicContact CG2-CE2 3.74Å; V225-F357 HydrophobicContact CG1-CE2 4.48Å; V225-F357 HydrophobicContact CG1-CZ 4.15Å; V225-F357 HydrophobicContact CG2-CE2 4.15Å
226	T	92	Very high	90.2	Very high	78 Å²	78	61.9 Å²	61.9	48%	0.479	32%	0.321	S	S	.	.	H	α-helix	trans	-63	-44.5	-179.1	-56.8	0	0	0	0	110.7	V222 I223 L228 L229 L230	V222-T226 VanDerWaalsContact O-CB 3.23Å; V222-T226 WeakPolarHBondContact O-CB 3.49Å; V222-T226 PolarHBondContact O-N 3.42Å; V222-T226 PolarHBondContact O-OG1 2.87Å; I223-T226 PolarHBondContact O-N 3.41Å; T226-L228 PolarHBondContact O-N 3.48Å; T226-L229 PolarHBondContact O-N 3.43Å; T226-L230 WeakPolarHBondContact O-CB 3.46Å; T226-L230 PolarHBondContact O-N 3.03Å
227	L	91.3	Very high	90.5	Very high	68 Å²	68	61.6 Å²	61.6	36%	0.356	33%	0.327	S	S	.	.	H	α-helix	trans	-61.8	-44.9	178.1	-175.5	67.7	0	0	0	111.2	I223 S224 V225 T231 L242	I223-L227 VanDerWaalsContact O-CB 3.23Å; I223-L227 WeakPolarHBondContact O-CB 3.3Å; I223-L227 PolarHBondContact O-N 3.31Å; S224-L227 PolarHBondContact O-N 3.23Å; V225-L227 PolarHBondContact O-N 3.32Å; L227-T231 VanDerWaalsContact O-CB 3.26Å; L227-T231 WeakPolarHBondContact O-CB 3.42Å; L227-T231 PolarHBondContact O-N 3.36Å; L227-T231 PolarHBondContact O-OG1 2.67Å; L227-L242 HydrophobicContact CD1-CD2 4.31Å
228	L	90.7	Very high	90.8	Very high	19 Å²	19	61.7 Å²	61.7	10%	0.099	33%	0.328	C	S	.	.	H	α-helix	trans	-61.4	-50.5	178.5	-177.4	70.2	0	0	0	111.5	S224 V225 T226 T231 Y232 F357 V396	S224-L228 WeakPolarHBondContact O-CB 3.27Å; S224-L228 PolarHBondContact O-N 3.27Å; V225-L228 PolarHBondContact O-N 3.19Å; T226-L228 PolarHBondContact O-N 3.48Å; L228-T231 PolarHBondContact O-N 2.88Å; L228-Y232 PolarHBondContact O-N 3.45Å; L228-F357 HydrophobicContact CD2-CB 4.18Å; L228-F357 HydrophobicContact CD2-CD1 3.39Å; L228-F357 HydrophobicContact CD2-CD2 3.8Å; L228-F357 HydrophobicContact CD2-CE1 3.61Å; L228-F357 HydrophobicContact CD2-CE2 4.01Å; L228-F357 HydrophobicContact CD2-CG 3.49Å; L228-F357 VanDerWaalsContact CD2-CG 3.49Å; L228-F357 HydrophobicContact CD2-CZ 3.92Å; L228-V396 HydrophobicContact CD1-CB 4.31Å; L228-V396 HydrophobicContact CD1-CG1 4.27Å; L228-V396 HydrophobicContact CD1-CG2 4.33Å
229	L	91.7	Very high	91	Very high	54 Å²	54	57 Å²	57	28%	0.283	30%	0.303	S	S	.	.	H	α-helix	trans	-64.2	-44.8	-179.7	-69.7	175	0	0	0	111.8	V225 T226 T231 Y232 F233 F357 F392	V225-L229 HydrophobicContact CG1-CD1 3.87Å; V225-L229 HydrophobicContact CG1-CG 4.46Å; V225-L229 WeakPolarHBondContact O-CG 3.28Å; V225-L229 PolarHBondContact O-N 2.93Å; T226-L229 PolarHBondContact O-N 3.43Å; L229-T231 VanDerWaalsContact C-N 3.27Å; L229-T231 PolarHBondContact O-N 3.45Å; L229-Y232 PolarHBondContact O-N 3.4Å; L229-Y232 VanDerWaalsContact O-N 3.13Å; L229-F233 HydrophobicContact CD2-CE2 4.47Å; L229-F233 WeakPolarHBondContact O-CD2 3.33Å; L229-F233 PolarHBondContact O-N 2.95Å; L229-F357 HydrophobicContact CD2-CE1 4.09Å; L229-F357 HydrophobicContact CD2-CZ 4.48Å; L229-F392 HydrophobicContact CD2-CD2 4.16Å; L229-F392 HydrophobicContact CD2-CE2 4.32Å
230	L	92.4	Very high	91.3	Very high	72 Å²	72	59.5 Å²	59.5	38%	0.377	31%	0.307	S	S	.	.	H	α-helix	trans	-60.3	-40.8	177.1	-172.2	71.7	0	0	0	111	T226 Y232 F234 L238	T226-L230 WeakPolarHBondContact O-CB 3.46Å; T226-L230 PolarHBondContact O-N 3.03Å; L230-Y232 VanDerWaalsContact C-N 3.34Å; L230-F234 HydrophobicContact CD1-CD2 3.63Å; L230-F234 HydrophobicContact CD1-CE2 4.01Å; L230-F234 HydrophobicContact CG-CD2 4.43Å; L230-F234 WeakPolarHBondContact O-CB 3.3Å; L230-F234 PolarHBondContact O-N 3.5Å; L230-L238 HydrophobicContact CD2-CD1 3.72Å; L230-L238 HydrophobicContact CD2-CG 4.26Å; L230-L238 HydrophobicContact CG-CD1 4.05Å; L230-L238 HydrophobicContact CG-CD2 4.26Å; L230-L238 HydrophobicContact CG-CG 4.04Å
231	T	90.7	Very high	91.5	Very high	3 Å²	3	62.2 Å²	62.2	2%	0.018	32%	0.317	C	S	.	.	H	α-helix	trans	-69.1	-32.4	177.2	-53.4	0	0	0	0	112.1	L227 L228 L229 Y235 L238 L242 V396 I408	L227-T231 VanDerWaalsContact O-CB 3.26Å; L227-T231 WeakPolarHBondContact O-CB 3.42Å; L227-T231 PolarHBondContact O-N 3.36Å; L227-T231 PolarHBondContact O-OG1 2.67Å; L228-T231 PolarHBondContact O-N 2.88Å; L229-T231 VanDerWaalsContact C-N 3.27Å; L229-T231 PolarHBondContact O-N 3.45Å; T231-Y235 HydrophobicContact CG2-CD2 4.24Å; T231-Y235 WeakPolarHBondContact O-CA 3.22Å; T231-Y235 VanDerWaalsContact O-CB 3.23Å; T231-Y235 WeakPolarHBondContact O-CB 3.24Å; T231-Y235 PolarHBondContact O-N 2.93Å; T231-Y235 VanDerWaalsContact O-N 3.15Å; T231-L238 HydrophobicContact CG2-CB 4.38Å; T231-L242 HydrophobicContact CG2-CD1 4.05Å; T231-V396 HydrophobicContact CG2-CG1 3.72Å; T231-I408 HydrophobicContact CG2-CD1 3.39Å; T231-I408 HydrophobicContact CG2-CG1 4.46Å
232	Y	89.1	Confident	91.7	Very high	20 Å²	20	60.5 Å²	60.5	8%	0.078	31%	0.308	C	S	.	.	H	α-helix	trans	-68.7	-47.3	174.5	178.4	-100.3	0	0	0	112.3	L228 L229 L230 R385 F392 V396 A401	L228-Y232 PolarHBondContact O-N 3.45Å; L229-Y232 PolarHBondContact O-N 3.4Å; L229-Y232 VanDerWaalsContact O-N 3.13Å; L230-Y232 VanDerWaalsContact C-N 3.34Å; Y232-R385 PolarHBondContact OH-NH2 2.94Å; Y232-F392 HydrophobicContact CD1-CD1 4.02Å; Y232-F392 HydrophobicContact CD1-CE1 4.11Å; Y232-F392 HydrophobicContact CD1-CG 4.35Å; Y232-F392 HydrophobicContact CD2-CB 4.15Å; Y232-F392 AromaticContact CD2-CD1 3.81Å; Y232-F392 HydrophobicContact CD2-CD1 3.81Å; Y232-F392 HydrophobicContact CD2-CG 4.14Å; Y232-F392 AromaticContact CE1-CD1 3.6Å; Y232-F392 HydrophobicContact CE1-CD1 3.6Å; Y232-F392 AromaticContact CE1-CE1 3.39Å; Y232-F392 HydrophobicContact CE1-CE1 3.39Å; Y232-F392 HydrophobicContact CE1-CG 4.36Å; Y232-F392 HydrophobicContact CE1-CZ 4.02Å; Y232-F392 HydrophobicContact CE2-CB 4.46Å; Y232-F392 AromaticContact CE2-CD1 3.39Å; Y232-F392 HydrophobicContact CE2-CD1 3.39Å; Y232-F392 AromaticContact CE2-CE1 3.97Å; Y232-F392 HydrophobicContact CE2-CE1 3.97Å; Y232-F392 HydrophobicContact CE2-CG 4.18Å; Y232-F392 HydrophobicContact CG-CB 4.44Å; Y232-F392 HydrophobicContact CG-CD1 4.1Å; Y232-F392 HydrophobicContact CG-CG 4.23Å; Y232-F392 AromaticContact CZ-CD1 3.25Å; Y232-F392 AromaticContact CZ-CE1 3.3Å; Y232-F392 VanDerWaalsContact OH-CE1 3.32Å; Y232-F392 WeakPolarHBondContact OH-CE1 3.36Å; Y232-V396 HydrophobicContact CD2-CG2 4.11Å; Y232-V396 HydrophobicContact CG-CG2 4.45Å; Y232-A401 HydrophobicContact CD2-CB 3.99Å; Y232-A401 HydrophobicContact CE2-CB 4.33Å
233	F	89.3	Confident	91.7	Very high	137 Å²	137	57.1 Å²	57.1	60%	0.601	29%	0.287	S	S	*	.	H	α-helix	trans	-76.4	-34.8	-177	-71.2	-66	0	0	0	113.7	L229	L229-F233 HydrophobicContact CD2-CE2 4.47Å; L229-F233 WeakPolarHBondContact O-CD2 3.33Å; L229-F233 PolarHBondContact O-N 2.95Å
234	F	91.5	Very high	91.9	Very high	120 Å²	120	54.6 Å²	54.6	53%	0.526	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	37.7	-176.4	-58.8	-84.2	0	0	0	112.1	L230 D236 I237 L238	L230-F234 HydrophobicContact CD1-CD2 3.63Å; L230-F234 HydrophobicContact CD1-CE2 4.01Å; L230-F234 HydrophobicContact CG-CD2 4.43Å; L230-F234 WeakPolarHBondContact O-CB 3.3Å; L230-F234 PolarHBondContact O-N 3.5Å; F234-D236 VanDerWaalsContact C-N 3.31Å; F234-D236 PolarHBondContact O-N 3.2Å; F234-I237 PolarHBondContact O-N 3.45Å; F234-I237 VanDerWaalsContact O-N 3.12Å; F234-L238 HydrophobicContact CB-CD2 3.6Å; F234-L238 HydrophobicContact CB-CG 4.37Å; F234-L238 WeakPolarHBondContact O-CB 3.43Å; F234-L238 WeakPolarHBondContact O-CD2 3.35Å; F234-L238 PolarHBondContact O-N 3.22Å
235	Y	90.6	Very high	92.2	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.016	29%	0.293	C	S	.	.	H	α-helix	trans	-49.2	-48.3	-172.3	-171.3	-83	0	0	0	113.5	T231 I237 L238 V239 G399 A401 E406 I408	T231-Y235 HydrophobicContact CG2-CD2 4.24Å; T231-Y235 WeakPolarHBondContact O-CA 3.22Å; T231-Y235 VanDerWaalsContact O-CB 3.23Å; T231-Y235 WeakPolarHBondContact O-CB 3.24Å; T231-Y235 PolarHBondContact O-N 2.93Å; T231-Y235 VanDerWaalsContact O-N 3.15Å; Y235-I237 PolarHBondContact O-N 3.34Å; Y235-I237 VanDerWaalsContact O-N 3.14Å; Y235-L238 PolarHBondContact O-N 3.15Å; Y235-V239 HydrophobicContact CD1-CB 4.49Å; Y235-V239 HydrophobicContact CE1-CB 4.16Å; Y235-V239 HydrophobicContact CE1-CG1 4.43Å; Y235-V239 HydrophobicContact CE1-CG2 4.34Å; Y235-V239 WeakPolarHBondContact O-CB 3.1Å; Y235-V239 WeakPolarHBondContact O-CG1 3.07Å; Y235-V239 PolarHBondContact O-N 2.87Å; Y235-G399 VanDerWaalsContact CZ-CA 3.47Å; Y235-G399 WeakPolarHBondContact OH-CA 3.46Å; Y235-A401 HydrophobicContact CD2-CB 3.77Å; Y235-A401 HydrophobicContact CE2-CB 4.48Å; Y235-A401 HydrophobicContact CG-CB 4.13Å; Y235-E406 WeakPolarHBondContact CE1-O 3.48Å; Y235-E406 PolarHBondContact OH-O 3.4Å; Y235-I408 HydrophobicContact CD2-CD1 4.3Å; Y235-I408 HydrophobicContact CE2-CD1 3.56Å; Y235-I408 HydrophobicContact CE2-CG1 4.01Å
236	D	90.8	Very high	92.4	Very high	62 Å²	62	55.7 Å²	55.7	33%	0.332	28%	0.283	S	S	.	.	H	α-helix	trans	-62.2	-25.1	-173.4	-68.3	-30.6	0	0	0	113.5	F234 Y240 G402 K403 S404	F234-D236 VanDerWaalsContact C-N 3.31Å; F234-D236 PolarHBondContact O-N 3.2Å; D236-Y240 WeakPolarHBondContact O-CD2 3.12Å; D236-Y240 WeakPolarHBondContact O-CE2 3.39Å; D236-G402 WeakPolarHBondContact OD1-CA 3.23Å; D236-K403 PolarHBondContact OD1-N 3.41Å; D236-K403 PolarHBondContact OD2-N 3.49Å; D236-S404 WeakPolarHBondContact OD1-CB 3.05Å; D236-S404 PolarHBondContact OD1-N 3.45Å; D236-S404 PolarHBondContact OD1-OG 3.44Å
237	I	91.8	Very high	92.6	Very high	123 Å²	123	52.7 Å²	52.7	63%	0.631	26%	0.264	S	S	*	.	H	α-helix	trans	-96.2	-44.7	176.6	-61	170.6	0	0	0	110.2	F234 Y235 V239 Y240 L241	F234-I237 PolarHBondContact O-N 3.45Å; F234-I237 VanDerWaalsContact O-N 3.12Å; Y235-I237 PolarHBondContact O-N 3.34Å; Y235-I237 VanDerWaalsContact O-N 3.14Å; I237-V239 VanDerWaalsContact C-N 3.3Å; I237-V239 PolarHBondContact O-N 3.3Å; I237-Y240 PolarHBondContact O-N 3.44Å; I237-L241 PolarHBondContact O-N 3.17Å
238	L	92.7	Very high	92.9	Very high	16 Å²	16	54.9 Å²	54.9	8%	0.084	28%	0.276	C	S	.	.	H	α-helix	trans	-67.4	-29.9	-173.4	-88.1	-73.4	0	0	0	112.6	L230 T231 F234 Y235 Y240 L241 L242	L230-L238 HydrophobicContact CD2-CD1 3.72Å; L230-L238 HydrophobicContact CD2-CG 4.26Å; L230-L238 HydrophobicContact CG-CD1 4.05Å; L230-L238 HydrophobicContact CG-CD2 4.26Å; L230-L238 HydrophobicContact CG-CG 4.04Å; T231-L238 HydrophobicContact CG2-CB 4.38Å; F234-L238 HydrophobicContact CB-CD2 3.6Å; F234-L238 HydrophobicContact CB-CG 4.37Å; F234-L238 WeakPolarHBondContact O-CB 3.43Å; F234-L238 WeakPolarHBondContact O-CD2 3.35Å; F234-L238 PolarHBondContact O-N 3.22Å; Y235-L238 PolarHBondContact O-N 3.15Å; L238-Y240 VanDerWaalsContact C-N 3.31Å; L238-Y240 PolarHBondContact O-N 3.27Å; L238-L241 HydrophobicContact CD1-CD2 3.92Å; L238-L241 WeakPolarHBondContact O-CB 3.39Å; L238-L241 PolarHBondContact O-N 3.06Å; L238-L242 WeakPolarHBondContact O-CG 3.36Å; L238-L242 PolarHBondContact O-N 3.39Å
239	V	93.2	Very high	93.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.7	-42.4	176	68.5	0	0	0	0	111.8	Y235 I237 L242 I243 E406 I408	Y235-V239 HydrophobicContact CD1-CB 4.49Å; Y235-V239 HydrophobicContact CE1-CB 4.16Å; Y235-V239 HydrophobicContact CE1-CG1 4.43Å; Y235-V239 HydrophobicContact CE1-CG2 4.34Å; Y235-V239 WeakPolarHBondContact O-CB 3.1Å; Y235-V239 WeakPolarHBondContact O-CG1 3.07Å; Y235-V239 PolarHBondContact O-N 2.87Å; I237-V239 VanDerWaalsContact C-N 3.3Å; I237-V239 PolarHBondContact O-N 3.3Å; V239-L242 PolarHBondContact O-N 3.04Å; V239-I243 HydrophobicContact CG2-CD1 4.18Å; V239-I243 VanDerWaalsContact O-CG1 3.25Å; V239-I243 WeakPolarHBondContact O-CG1 3.37Å; V239-I243 PolarHBondContact O-N 3.05Å; V239-E406 HydrophobicContact CG1-CB 4.07Å; V239-E406 HydrophobicContact CG2-CB 3.76Å; V239-I408 HydrophobicContact CG2-CG1 4.15Å
240	Y	94.2	Very high	93.4	Very high	118 Å²	118	53.7 Å²	53.7	46%	0.463	27%	0.271	S	S	.	.	H	α-helix	trans	-69.6	-36	178.2	-63.6	-70.2	0	0	0	112.4	D236 I237 L238 I243 A244 E406	D236-Y240 WeakPolarHBondContact O-CD2 3.12Å; D236-Y240 WeakPolarHBondContact O-CE2 3.39Å; I237-Y240 PolarHBondContact O-N 3.44Å; L238-Y240 VanDerWaalsContact C-N 3.31Å; L238-Y240 PolarHBondContact O-N 3.27Å; Y240-I243 HydrophobicContact CD1-CD1 4.45Å; Y240-I243 PolarHBondContact O-N 3.13Å; Y240-A244 PolarHBondContact O-N 3.26Å; Y240-E406 HydrophobicContact CE1-CG 4.02Å
241	L	93.9	Very high	93.6	Very high	113 Å²	113	50.4 Å²	50.4	59%	0.592	25%	0.254	S	S	*	.	H	α-helix	trans	-61.8	-44.5	172.3	-179.4	68.4	0	0	0	111.1	I237 L238 A244 L245	I237-L241 PolarHBondContact O-N 3.17Å; L238-L241 HydrophobicContact CD1-CD2 3.92Å; L238-L241 WeakPolarHBondContact O-CB 3.39Å; L238-L241 PolarHBondContact O-N 3.06Å; L241-A244 PolarHBondContact O-N 3.31Å; L241-L245 WeakPolarHBondContact O-CB 3.44Å; L241-L245 PolarHBondContact O-N 2.92Å
242	L	93.7	Very high	93.8	Very high	5 Å²	5	53.4 Å²	53.4	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-67.6	-35.9	178.6	-70.9	175.7	0	0	0	112.2	L227 T231 L238 V239 L245 F246 I408 L410	L227-L242 HydrophobicContact CD1-CD2 4.31Å; T231-L242 HydrophobicContact CG2-CD1 4.05Å; L238-L242 WeakPolarHBondContact O-CG 3.36Å; L238-L242 PolarHBondContact O-N 3.39Å; V239-L242 PolarHBondContact O-N 3.04Å; L242-L245 PolarHBondContact O-N 3.3Å; L242-F246 VanDerWaalsContact O-CB 3.28Å; L242-F246 WeakPolarHBondContact O-CB 3.31Å; L242-F246 PolarHBondContact O-N 2.82Å; L242-I408 HydrophobicContact CD1-CD1 4.29Å; L242-I408 HydrophobicContact CD1-CG1 4.23Å; L242-I408 HydrophobicContact CD1-CG2 3.8Å; L242-L410 HydrophobicContact CD1-CD1 4.28Å; L242-L410 HydrophobicContact CD2-CD1 4.13Å
243	I	94.8	Very high	94.2	Very high	8 Å²	8	52.6 Å²	52.6	4%	0.041	27%	0.268	C	S	.	.	H	α-helix	trans	-61.7	-48.3	171.5	-70.8	165.3	0	0	0	110.5	V239 Y240 L245 F246 V247 W305 L306 P409	V239-I243 HydrophobicContact CG2-CD1 4.18Å; V239-I243 VanDerWaalsContact O-CG1 3.25Å; V239-I243 WeakPolarHBondContact O-CG1 3.37Å; V239-I243 PolarHBondContact O-N 3.05Å; Y240-I243 HydrophobicContact CD1-CD1 4.45Å; Y240-I243 PolarHBondContact O-N 3.13Å; I243-L245 VanDerWaalsContact C-N 3.34Å; I243-L245 PolarHBondContact O-N 2.84Å; I243-F246 PolarHBondContact O-N 3.37Å; I243-V247 WeakPolarHBondContact O-CG2 3.23Å; I243-V247 PolarHBondContact O-N 3.32Å; I243-W305 HydrophobicContact CG1-CH2 4.46Å; I243-W305 HydrophobicContact CG2-CH2 4.26Å; I243-W305 HydrophobicContact CG2-CZ3 4.11Å; I243-L306 HydrophobicContact CG2-CD1 3.38Å; I243-P409 HydrophobicContact CG1-CG 4.24Å
244	A	95.5	Very high	94.5	Very high	52 Å²	52	46.4 Å²	46.4	43%	0.43	24%	0.241	S	C	.	.	H	α-helix	trans	-61	-43.3	177.3	0	0	0	0	0	111.7	Y240 L241 V247 L248	Y240-A244 PolarHBondContact O-N 3.26Å; L241-A244 PolarHBondContact O-N 3.31Å; A244-V247 PolarHBondContact O-N 2.88Å; A244-L248 WeakPolarHBondContact O-CG 3.24Å; A244-L248 PolarHBondContact O-N 2.77Å; A244-L248 VanDerWaalsContact O-N 3.16Å
245	L	95	Very high	94.7	Very high	92 Å²	92	40.7 Å²	40.7	48%	0.482	22%	0.216	S	C	.	.	H	α-helix	trans	-62.9	-42.2	175.9	-174.9	68.2	0	0	0	111.7	L241 L242 I243 V247 L248 V249	L241-L245 WeakPolarHBondContact O-CB 3.44Å; L241-L245 PolarHBondContact O-N 2.92Å; L242-L245 PolarHBondContact O-N 3.3Å; I243-L245 VanDerWaalsContact C-N 3.34Å; I243-L245 PolarHBondContact O-N 2.84Å; L245-V247 VanDerWaalsContact C-N 3.35Å; L245-V247 PolarHBondContact O-N 2.86Å; L245-L248 PolarHBondContact O-N 3.22Å; L245-V249 HydrophobicContact CD1-CG2 3.75Å; L245-V249 HydrophobicContact CG-CG2 3.94Å; L245-V249 VanDerWaalsContact O-CB 3.3Å; L245-V249 WeakPolarHBondContact O-CB 3.47Å; L245-V249 VanDerWaalsContact O-CG2 3.27Å; L245-V249 WeakPolarHBondContact O-CG2 3.19Å; L245-V249 PolarHBondContact O-N 2.94Å
246	F	96.2	Very high	94.8	Very high	6 Å²	6	45.1 Å²	45.1	3%	0.026	24%	0.235	C	C	.	.	H	α-helix	trans	-62.2	-41.1	178.7	-179	-93.9	0	0	0	111.9	L242 I243 G250 W305 Q319 I322 I326 P409 F438	L242-F246 VanDerWaalsContact O-CB 3.28Å; L242-F246 WeakPolarHBondContact O-CB 3.31Å; L242-F246 PolarHBondContact O-N 2.82Å; I243-F246 PolarHBondContact O-N 3.37Å; F246-G250 VanDerWaalsContact O-CA 3.31Å; F246-G250 WeakPolarHBondContact O-CA 3.36Å; F246-G250 PolarHBondContact O-N 3Å; F246-W305 HydrophobicContact CD1-CD2 4.04Å; F246-W305 AromaticContact CD1-CE3 3.61Å; F246-W305 HydrophobicContact CD1-CE3 3.61Å; F246-W305 AromaticContact CD1-CH2 3.56Å; F246-W305 HydrophobicContact CD1-CH2 3.56Å; F246-W305 AromaticContact CD1-CZ2 4Å; F246-W305 HydrophobicContact CD1-CZ2 4Å; F246-W305 AromaticContact CD1-CZ3 3.35Å; F246-W305 HydrophobicContact CD1-CZ3 3.35Å; F246-W305 AromaticContact CE1-CD2 3.68Å; F246-W305 HydrophobicContact CE1-CD2 3.68Å; F246-W305 AromaticContact CE1-CE2 3.78Å; F246-W305 AromaticContact CE1-CE3 3.72Å; F246-W305 HydrophobicContact CE1-CE3 3.72Å; F246-W305 HydrophobicContact CE1-CG 4.35Å; F246-W305 AromaticContact CE1-CH2 3.99Å; F246-W305 HydrophobicContact CE1-CH2 3.99Å; F246-W305 AromaticContact CE1-CZ2 3.95Å; F246-W305 HydrophobicContact CE1-CZ2 3.95Å; F246-W305 AromaticContact CE1-CZ3 3.89Å; F246-W305 HydrophobicContact CE1-CZ3 3.89Å; F246-W305 HydrophobicContact CG-CH2 4.32Å; F246-W305 HydrophobicContact CG-CZ3 4.35Å; F246-Q319 HydrophobicContact CE1-CG 4.24Å; F246-Q319 HydrophobicContact CE2-CG 4.31Å; F246-Q319 HydrophobicContact CZ-CG 3.71Å; F246-I322 HydrophobicContact CE1-CB 4.21Å; F246-I322 HydrophobicContact CE1-CD1 4.18Å; F246-I322 HydrophobicContact CE1-CG2 3.83Å; F246-I322 HydrophobicContact CE2-CG2 4.27Å; F246-I322 HydrophobicContact CZ-CB 3.84Å; F246-I322 HydrophobicContact CZ-CG2 3.58Å; F246-I326 HydrophobicContact CD2-CD1 3.75Å; F246-I326 HydrophobicContact CE2-CD1 3.55Å; F246-I326 HydrophobicContact CZ-CD1 4.26Å; F246-P409 HydrophobicContact CB-CB 4.15Å; F246-P409 HydrophobicContact CB-CG 3.58Å; F246-P409 HydrophobicContact CD1-CB 4.03Å; F246-P409 HydrophobicContact CD1-CG 4.33Å; F246-P409 HydrophobicContact CD2-CB 3.88Å; F246-P409 HydrophobicContact CD2-CG 4.14Å; F246-P409 WeakPolarHBondContact CD2-O 3.47Å; F246-P409 HydrophobicContact CE1-CB 4.39Å; F246-P409 HydrophobicContact CE2-CB 4.26Å; F246-P409 WeakPolarHBondContact CE2-O 3.23Å; F246-P409 HydrophobicContact CG-CB 3.75Å; F246-P409 HydrophobicContact CG-CG 3.77Å; F246-P409 HydrophobicContact CZ-CB 4.49Å; F246-F438 HydrophobicContact CD2-CE2 4.37Å; F246-F438 AromaticContact CE2-CE2 3.82Å; F246-F438 HydrophobicContact CE2-CE2 3.82Å; F246-F438 HydrophobicContact CE2-CZ 4.07Å
247	V	96.7	Very high	94.9	Very high	15 Å²	15	43.4 Å²	43.4	9%	0.091	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-47.4	175.2	173.3	0	0	0	0	111	I243 A244 L245 A251 A302 W305 L306	I243-V247 WeakPolarHBondContact O-CG2 3.23Å; I243-V247 PolarHBondContact O-N 3.32Å; A244-V247 PolarHBondContact O-N 2.88Å; L245-V247 VanDerWaalsContact C-N 3.35Å; L245-V247 PolarHBondContact O-N 2.86Å; V247-A251 VanDerWaalsContact O-CB 3.24Å; V247-A251 WeakPolarHBondContact O-CB 3.3Å; V247-A251 PolarHBondContact O-N 3.31Å; V247-A302 HydrophobicContact CB-CB 4.5Å; V247-A302 HydrophobicContact CG1-CB 3.92Å; V247-W305 HydrophobicContact CG2-CE3 4.03Å; V247-W305 HydrophobicContact CG2-CZ3 3.91Å; V247-L306 HydrophobicContact CG2-CB 4.13Å; V247-L306 HydrophobicContact CG2-CD1 4.18Å; V247-L306 HydrophobicContact CG2-CD2 4.37Å; V247-L306 HydrophobicContact CG2-CG 4.47Å
248	L	96.2	Very high	95	Very high	114 Å²	114	39.9 Å²	39.9	60%	0.597	21%	0.207	S	C	*	.	H	α-helix	trans	-67.4	-47.9	-178.4	-67.6	174.3	0	0	0	112.5	A244 L245 N252	A244-L248 WeakPolarHBondContact O-CG 3.24Å; A244-L248 PolarHBondContact O-N 2.77Å; A244-L248 VanDerWaalsContact O-N 3.16Å; L245-L248 PolarHBondContact O-N 3.22Å; L248-N252 WeakPolarHBondContact O-CB 3.16Å; L248-N252 PolarHBondContact O-N 3.07Å
249	V	96	Very high	95	Very high	47 Å²	47	39.9 Å²	39.9	29%	0.285	21%	0.208	S	C	.	.	H	α-helix	trans	-68.6	-39.5	179.3	175.4	0	0	0	0	110.5	L245 N252 S253 I326	L245-V249 HydrophobicContact CD1-CG2 3.75Å; L245-V249 HydrophobicContact CG-CG2 3.94Å; L245-V249 VanDerWaalsContact O-CB 3.3Å; L245-V249 WeakPolarHBondContact O-CB 3.47Å; L245-V249 VanDerWaalsContact O-CG2 3.27Å; L245-V249 WeakPolarHBondContact O-CG2 3.19Å; L245-V249 PolarHBondContact O-N 2.94Å; V249-N252 PolarHBondContact O-N 2.93Å; V249-S253 VanDerWaalsContact O-CB 3.3Å; V249-S253 WeakPolarHBondContact O-CB 3.43Å; V249-S253 PolarHBondContact O-N 3.1Å; V249-S253 PolarHBondContact O-OG 3.15Å; V249-I326 HydrophobicContact CG1-CD1 4.38Å; V249-I326 HydrophobicContact CG1-CG1 4.26Å; V249-I326 HydrophobicContact CG1-CG2 4.12Å
250	G	97	Very high	94.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.9	-51.2	175.2	0	0	0	0	0	112.3	F246 N252 S253 I254	F246-G250 VanDerWaalsContact O-CA 3.31Å; F246-G250 WeakPolarHBondContact O-CA 3.36Å; F246-G250 PolarHBondContact O-N 3Å; G250-N252 VanDerWaalsContact C-N 3.34Å; G250-N252 PolarHBondContact O-N 3.35Å; G250-S253 PolarHBondContact O-N 3.33Å; G250-I254 WeakPolarHBondContact O-CG1 3.39Å; G250-I254 PolarHBondContact O-N 2.91Å
251	A	96.9	Very high	94.8	Very high	3 Å²	3	36.8 Å²	36.8	3%	0.025	20%	0.2	C	C	.	.	H	α-helix	trans	-59.6	-43.4	176.8	0	0	0	0	0	112.3	V247 S255 L299 A302	V247-A251 VanDerWaalsContact O-CB 3.24Å; V247-A251 WeakPolarHBondContact O-CB 3.3Å; V247-A251 PolarHBondContact O-N 3.31Å; A251-S255 VanDerWaalsContact O-CB 3.27Å; A251-S255 WeakPolarHBondContact O-CB 3.44Å; A251-S255 PolarHBondContact O-N 3.16Å; A251-L299 HydrophobicContact CB-CB 4.48Å; A251-L299 HydrophobicContact CB-CD2 3.71Å; A251-L299 HydrophobicContact CB-CG 3.96Å; A251-A302 HydrophobicContact CB-CB 4.16Å
252	N	95.2	Very high	94.6	Very high	66 Å²	66	34 Å²	34	35%	0.353	19%	0.185	S	C	.	.	H	α-helix	trans	-65	-39.3	176.6	-174.4	39.6	0	0	0	112.4	L248 V249 G250 S255 K256	L248-N252 WeakPolarHBondContact O-CB 3.16Å; L248-N252 PolarHBondContact O-N 3.07Å; V249-N252 PolarHBondContact O-N 2.93Å; G250-N252 VanDerWaalsContact C-N 3.34Å; G250-N252 PolarHBondContact O-N 3.35Å; N252-S255 PolarHBondContact O-N 3.33Å; N252-K256 WeakPolarHBondContact O-CB 3.14Å; N252-K256 WeakPolarHBondContact O-CG 3.3Å; N252-K256 PolarHBondContact O-N 2.89Å
253	S	96.3	Very high	94.3	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-69.2	-44.4	-179.9	-57.4	0	0	0	0	111.5	V249 G250 S255 K256 F257	V249-S253 VanDerWaalsContact O-CB 3.3Å; V249-S253 WeakPolarHBondContact O-CB 3.43Å; V249-S253 PolarHBondContact O-N 3.1Å; V249-S253 PolarHBondContact O-OG 3.15Å; G250-S253 PolarHBondContact O-N 3.33Å; S253-S255 VanDerWaalsContact C-N 3.34Å; S253-S255 PolarHBondContact O-N 3.08Å; S253-K256 PolarHBondContact O-N 2.67Å; S253-F257 WeakPolarHBondContact O-CB 3.46Å; S253-F257 PolarHBondContact O-N 2.7Å
254	I	96.6	Very high	93.9	Very high	7 Å²	7	40.3 Å²	40.3	4%	0.036	21%	0.214	C	C	.	.	H	α-helix	trans	-59.2	-46.7	172.8	-70.1	164.3	0	0	0	110.4	G250 K256 F257 L258 I301 I322 F325	G250-I254 WeakPolarHBondContact O-CG1 3.39Å; G250-I254 PolarHBondContact O-N 2.91Å; I254-K256 PolarHBondContact O-N 3.34Å; I254-F257 PolarHBondContact O-N 3.45Å; I254-L258 HydrophobicContact CG2-CD1 3.45Å; I254-L258 VanDerWaalsContact CG2-CD1 3.45Å; I254-L258 HydrophobicContact CG2-CG 4.44Å; I254-L258 WeakPolarHBondContact O-CB 3.43Å; I254-L258 WeakPolarHBondContact O-CD1 3.44Å; I254-L258 PolarHBondContact O-N 3.15Å; I254-I301 HydrophobicContact CD1-CB 4.24Å; I254-I301 HydrophobicContact CD1-CG2 3.95Å; I254-I301 HydrophobicContact CG2-CD1 4.32Å; I254-I322 HydrophobicContact CD1-CG1 4.14Å; I254-I322 HydrophobicContact CD1-CG2 4.45Å; I254-F325 HydrophobicContact CD1-CD2 4.5Å; I254-F325 HydrophobicContact CG1-CB 4.09Å; I254-F325 HydrophobicContact CG1-CD2 3.77Å; I254-F325 HydrophobicContact CG1-CE2 4.5Å; I254-F325 HydrophobicContact CG1-CG 4.07Å
255	S	94.9	Very high	93.5	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.007	23%	0.226	C	C	.	.	H	α-helix	trans	-59.1	-45	178.1	-177.8	0	0	0	0	112.7	A251 N252 S253 L258 T259 T294 L295	A251-S255 VanDerWaalsContact O-CB 3.27Å; A251-S255 WeakPolarHBondContact O-CB 3.44Å; A251-S255 PolarHBondContact O-N 3.16Å; N252-S255 PolarHBondContact O-N 3.33Å; S253-S255 VanDerWaalsContact C-N 3.34Å; S253-S255 PolarHBondContact O-N 3.08Å; S255-L258 PolarHBondContact O-N 3.28Å; S255-T259 WeakPolarHBondContact O-CB 3.19Å; S255-T259 PolarHBondContact O-N 3.17Å; S255-T259 PolarHBondContact O-OG1 2.88Å; S255-T294 PolarHBondContact O-OG1 3.39Å; S255-T294 PolarHBondContact OG-OG1 2.95Å; S255-L295 PolarHBondContact OG-N 2.92Å
256	K	92.8	Very high	93	Very high	96 Å²	96	41.6 Å²	41.6	42%	0.417	22%	0.218	S	C	.	.	H	α-helix	trans	-62.6	-43.7	175.9	-78.6	177	171.5	-170.5	0	112.1	N252 S253 I254 T259 F260 V329	N252-K256 WeakPolarHBondContact O-CB 3.14Å; N252-K256 WeakPolarHBondContact O-CG 3.3Å; N252-K256 PolarHBondContact O-N 2.89Å; S253-K256 PolarHBondContact O-N 2.67Å; I254-K256 PolarHBondContact O-N 3.34Å; K256-T259 PolarHBondContact O-N 3.02Å; K256-F260 WeakPolarHBondContact O-CB 3.41Å; K256-F260 PolarHBondContact O-N 3.42Å; K256-V329 HydrophobicContact CB-CG1 4.39Å; K256-V329 HydrophobicContact CB-CG2 4.26Å; K256-V329 HydrophobicContact CD-CG1 3.61Å
257	F	94.4	Very high	92.1	Very high	27 Å²	27	45.5 Å²	45.5	12%	0.118	24%	0.243	C	C	.	.	H	α-helix	trans	-63.9	-47	177.2	-177.9	-97	0	0	0	111.8	L183 I187 S253 I254 T259 F260 V261 F325	L183-F257 HydrophobicContact CB-CE2 4.25Å; L183-F257 HydrophobicContact CD1-CE2 4.33Å; L183-F257 HydrophobicContact CD1-CZ 4.42Å; L183-F257 HydrophobicContact CD2-CE2 3.85Å; L183-F257 HydrophobicContact CD2-CZ 3.79Å; L183-F257 HydrophobicContact CG-CE2 4.36Å; I187-F257 HydrophobicContact CD1-CD2 4.15Å; S253-F257 WeakPolarHBondContact O-CB 3.46Å; S253-F257 PolarHBondContact O-N 2.7Å; I254-F257 PolarHBondContact O-N 3.45Å; F257-T259 VanDerWaalsContact C-N 3.34Å; F257-T259 PolarHBondContact O-N 3Å; F257-F260 WeakPolarHBondContact O-CB 3.38Å; F257-F260 PolarHBondContact O-N 3.46Å; F257-V261 HydrophobicContact CD1-CG2 4.11Å; F257-V261 HydrophobicContact CE1-CG2 3.61Å; F257-V261 HydrophobicContact CE2-CG2 4.34Å; F257-V261 HydrophobicContact CZ-CG2 3.74Å; F257-V261 WeakPolarHBondContact O-CG2 3.33Å; F257-V261 PolarHBondContact O-N 3.32Å; F257-F325 HydrophobicContact CB-CD1 4.03Å; F257-F325 AromaticContact CD1-CD1 3.74Å; F257-F325 HydrophobicContact CD1-CD1 3.74Å; F257-F325 AromaticContact CD1-CE1 3.39Å; F257-F325 HydrophobicContact CD1-CE1 3.39Å; F257-F325 HydrophobicContact CD1-CZ 4.41Å; F257-F325 HydrophobicContact CD2-CD1 4.24Å; F257-F325 HydrophobicContact CD2-CE1 4.42Å; F257-F325 HydrophobicContact CE1-CD1 4.29Å; F257-F325 AromaticContact CE1-CE1 3.59Å; F257-F325 HydrophobicContact CE1-CE1 3.59Å; F257-F325 AromaticContact CG-CD1 3.71Å; F257-F325 HydrophobicContact CG-CD1 3.71Å; F257-F325 AromaticContact CG-CE1 3.86Å; F257-F325 HydrophobicContact CG-CE1 3.86Å; F257-F325 HydrophobicContact CZ-CE1 4.22Å
258	L	93.6	Very high	90.7	Very high	49 Å²	49	50.3 Å²	50.3	26%	0.257	28%	0.278	S	S	.	.	H	α-helix	trans	-59.2	-44.2	174.9	-82.3	151.9	0	0	0	111.9	I254 S255 F260 V261 I262 T294 I297	I254-L258 HydrophobicContact CG2-CD1 3.45Å; I254-L258 VanDerWaalsContact CG2-CD1 3.45Å; I254-L258 HydrophobicContact CG2-CG 4.44Å; I254-L258 WeakPolarHBondContact O-CB 3.43Å; I254-L258 WeakPolarHBondContact O-CD1 3.44Å; I254-L258 PolarHBondContact O-N 3.15Å; S255-L258 PolarHBondContact O-N 3.28Å; L258-F260 VanDerWaalsContact C-N 3.3Å; L258-F260 PolarHBondContact O-N 3.31Å; L258-V261 PolarHBondContact O-N 2.92Å; L258-I262 WeakPolarHBondContact O-CB 3.48Å; L258-I262 VanDerWaalsContact O-CG1 3.26Å; L258-I262 WeakPolarHBondContact O-CG1 3.3Å; L258-I262 PolarHBondContact O-N 3.41Å; L258-T294 HydrophobicContact CB-CG2 3.72Å; L258-I297 HydrophobicContact CD1-CG2 4.18Å
259	T	91.1	Very high	89.1	Confident	16 Å²	16	48 Å²	48	10%	0.098	27%	0.268	C	S	.	.	H	α-helix	trans	-57.8	-46.3	175.7	-60.8	0	0	0	0	110.3	S255 K256 F257 I262 Q263 L290 T294	S255-T259 WeakPolarHBondContact O-CB 3.19Å; S255-T259 PolarHBondContact O-N 3.17Å; S255-T259 PolarHBondContact O-OG1 2.88Å; K256-T259 PolarHBondContact O-N 3.02Å; F257-T259 VanDerWaalsContact C-N 3.34Å; F257-T259 PolarHBondContact O-N 3Å; T259-I262 PolarHBondContact O-N 3.01Å; T259-Q263 HydrophobicContact CG2-CG 4.47Å; T259-Q263 WeakPolarHBondContact O-CB 3.5Å; T259-Q263 WeakPolarHBondContact O-CG 3.39Å; T259-Q263 PolarHBondContact O-N 2.95Å; T259-L290 HydrophobicContact CG2-CB 4.35Å; T259-L290 HydrophobicContact CG2-CD2 3.63Å; T259-L290 HydrophobicContact CG2-CG 3.97Å; T259-T294 PolarHBondContact OG1-OG1 3.38Å
260	F	91	Very high	87.5	Confident	14 Å²	14	49.4 Å²	49.4	6%	0.061	28%	0.277	C	S	.	.	H	α-helix	trans	-59.1	-48.9	176.1	166	-102.4	0	0	0	112.1	W186 I187 V190 N191 K256 F257 L258 I262 Q263 H264	W186-F260 AromaticContact CD1-CZ 3.89Å; W186-F260 HydrophobicContact CD2-CE1 4.15Å; W186-F260 HydrophobicContact CG-CE1 4.18Å; W186-F260 HydrophobicContact CG-CZ 4.21Å; W186-F260 AromaticContact NE1-CZ 3.95Å; I187-F260 HydrophobicContact CB-CE2 4.45Å; I187-F260 HydrophobicContact CB-CZ 4.41Å; I187-F260 HydrophobicContact CG1-CD1 3.73Å; I187-F260 HydrophobicContact CG1-CD2 4.32Å; I187-F260 HydrophobicContact CG1-CE1 3.79Å; I187-F260 HydrophobicContact CG1-CE2 4.38Å; I187-F260 HydrophobicContact CG1-CG 4Å; I187-F260 HydrophobicContact CG1-CZ 4.12Å; I187-F260 HydrophobicContact CG2-CD2 4.41Å; V190-F260 HydrophobicContact CB-CE2 3.84Å; V190-F260 HydrophobicContact CB-CZ 3.99Å; V190-F260 HydrophobicContact CG1-CE2 3.83Å; V190-F260 HydrophobicContact CG1-CZ 4.29Å; V190-F260 HydrophobicContact CG2-CE2 4.43Å; V190-F260 HydrophobicContact CG2-CZ 4.1Å; N191-F260 WeakPolarHBondContact ND2-CE2 3.34Å; K256-F260 WeakPolarHBondContact O-CB 3.41Å; K256-F260 PolarHBondContact O-N 3.42Å; F257-F260 WeakPolarHBondContact O-CB 3.38Å; F257-F260 PolarHBondContact O-N 3.46Å; L258-F260 VanDerWaalsContact C-N 3.3Å; L258-F260 PolarHBondContact O-N 3.31Å; F260-I262 PolarHBondContact O-N 3.49Å; F260-Q263 PolarHBondContact O-N 2.85Å; F260-H264 WeakPolarHBondContact O-CB 3.37Å; F260-H264 PolarHBondContact O-N 3.48Å
261	V	92.4	Very high	85.8	Confident	38 Å²	38	56.9 Å²	56.9	23%	0.23	31%	0.31	C	S	.	.	H	α-helix	trans	-61.2	-46.1	179.4	172.3	0	0	0	0	111.4	F257 L258 Q263 H264 I265	F257-V261 HydrophobicContact CD1-CG2 4.11Å; F257-V261 HydrophobicContact CE1-CG2 3.61Å; F257-V261 HydrophobicContact CE2-CG2 4.34Å; F257-V261 HydrophobicContact CZ-CG2 3.74Å; F257-V261 WeakPolarHBondContact O-CG2 3.33Å; F257-V261 PolarHBondContact O-N 3.32Å; L258-V261 PolarHBondContact O-N 2.92Å; V261-Q263 PolarHBondContact O-N 2.9Å; V261-H264 PolarHBondContact O-N 3.47Å; V261-I265 HydrophobicContact CG1-CD1 3.77Å; V261-I265 WeakPolarHBondContact O-CG1 3.47Å; V261-I265 PolarHBondContact O-N 3.08Å
262	I	90.3	Very high	84	Confident	56 Å²	56	60.3 Å²	60.3	29%	0.287	33%	0.331	S	S	.	.	H	α-helix	trans	-65.1	-41.4	-179.9	-66.3	164.6	0	0	0	111	L258 T259 F260 H264 I265 A266 L290 T294	L258-I262 WeakPolarHBondContact O-CB 3.48Å; L258-I262 VanDerWaalsContact O-CG1 3.26Å; L258-I262 WeakPolarHBondContact O-CG1 3.3Å; L258-I262 PolarHBondContact O-N 3.41Å; T259-I262 PolarHBondContact O-N 3.01Å; F260-I262 PolarHBondContact O-N 3.49Å; I262-H264 VanDerWaalsContact C-N 3.28Å; I262-H264 PolarHBondContact O-N 2.69Å; I262-I265 PolarHBondContact O-N 3.09Å; I262-A266 PolarHBondContact O-N 3.35Å; I262-L290 HydrophobicContact CB-CD1 4.27Å; I262-L290 HydrophobicContact CB-CD2 4.01Å; I262-L290 HydrophobicContact CD1-CD1 3.82Å; I262-L290 HydrophobicContact CG2-CD1 3.81Å; I262-L290 HydrophobicContact CG2-CD2 3.87Å; I262-T294 HydrophobicContact CD1-CG2 3.88Å
263	Q	87	Confident	82.1	Confident	51 Å²	51	61.6 Å²	61.6	24%	0.238	34%	0.336	C	S	.	.	H	α-helix	trans	-65	-33.3	175.9	-74.7	177	-6.9	0	0	112.6	T259 F260 V261 P267 T270 L290	T259-Q263 HydrophobicContact CG2-CG 4.47Å; T259-Q263 WeakPolarHBondContact O-CB 3.5Å; T259-Q263 WeakPolarHBondContact O-CG 3.39Å; T259-Q263 PolarHBondContact O-N 2.95Å; F260-Q263 PolarHBondContact O-N 2.85Å; V261-Q263 PolarHBondContact O-N 2.9Å; Q263-P267 WeakPolarHBondContact O-CA 3.47Å; Q263-T270 HydrophobicContact CG-CG2 3.76Å; Q263-L290 HydrophobicContact CG-CD2 3.76Å
264	H	86.4	Confident	80	Confident	94 Å²	94	65.5 Å²	65.5	44%	0.435	36%	0.361	S	S	.	.	H	α-helix	trans	-72	-40.3	177.6	-169.4	58.7	0	0	0	112.2	W186 F260 V261 I262	W186-H264 AromaticContact CZ2-CD2 3.98Å; F260-H264 WeakPolarHBondContact O-CB 3.37Å; F260-H264 PolarHBondContact O-N 3.48Å; V261-H264 PolarHBondContact O-N 3.47Å; I262-H264 VanDerWaalsContact C-N 3.28Å; I262-H264 PolarHBondContact O-N 2.69Å
265	I	88.6	Confident	77.9	Confident	134 Å²	134	69.1 Å²	69.1	69%	0.687	38%	0.379	S	S	*	.	H	α-helix	trans	-76.1	-40	178.9	-63.9	169.5	0	0	0	111.5	V261 I262	V261-I265 HydrophobicContact CG1-CD1 3.77Å; V261-I265 WeakPolarHBondContact O-CG1 3.47Å; V261-I265 PolarHBondContact O-N 3.08Å; I262-I265 PolarHBondContact O-N 3.09Å
266	A	84.4	Confident	75.5	Confident	36 Å²	36	75 Å²	75	30%	0.298	41%	0.411	S	S	.	.			trans	-131.9	81.9	-176	0	0	0	0	0	110.8	I262 S268 T269	I262-A266 PolarHBondContact O-N 3.35Å; A266-S268 PolarHBondContact O-N 3.4Å; A266-S268 VanDerWaalsContact O-N 3.09Å; A266-T269 HydrophobicContact CB-CG2 3.79Å; A266-T269 PolarHBondContact O-N 3.04Å; A266-T269 VanDerWaalsContact O-N 3.08Å; A266-T269 PolarHBondContact O-OG1 2.93Å
267	P	77.2	Confident	73.6	Confident	88 Å²	88	74.6 Å²	74.6	57%	0.571	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-56.4	-31	-177.2	-22.9	31.6	0	0	0	113.2	Q263 T269 T270	Q263-P267 WeakPolarHBondContact O-CA 3.47Å; P267-T269 PolarHBondContact O-N 3.3Å; P267-T269 VanDerWaalsContact O-N 3.14Å; P267-T270 PolarHBondContact O-OG1 3.39Å
268	S	67	Low	70.9	Confident	116 Å²	116	83.6 Å²	83.6	81%	0.811	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-68.2	-8	-179.1	-48	0	0	0	0	114.7	A266 T270	A266-S268 PolarHBondContact O-N 3.4Å; A266-S268 VanDerWaalsContact O-N 3.09Å; S268-T270 VanDerWaalsContact C-N 3.28Å; S268-T270 PolarHBondContact O-N 3.5Å
269	T	63.1	Low	68.4	Low	65 Å²	65	84.5 Å²	84.5	40%	0.399	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-80.6	-1.9	-178.2	56.2	0	0	0	0	114.2	A266 P267 K271	A266-T269 HydrophobicContact CB-CG2 3.79Å; A266-T269 PolarHBondContact O-N 3.04Å; A266-T269 VanDerWaalsContact O-N 3.08Å; A266-T269 PolarHBondContact O-OG1 2.93Å; P267-T269 PolarHBondContact O-N 3.3Å; P267-T269 VanDerWaalsContact O-N 3.14Å; T269-K271 VanDerWaalsContact C-N 3.33Å; T269-K271 PolarHBondContact O-N 3.39Å
270	T	61.2	Low	66.2	Low	77 Å²	77	95.4 Å²	95.4	47%	0.472	50%	0.504	S	S	.	.			trans	-81.6	73.2	-178.8	59.2	0	0	0	0	112.7	Q263 P267 S268	Q263-T270 HydrophobicContact CG-CG2 3.76Å; P267-T270 PolarHBondContact O-OG1 3.39Å; S268-T270 VanDerWaalsContact C-N 3.28Å; S268-T270 PolarHBondContact O-N 3.5Å
271	K	61.4	Low	64	Low	157 Å²	157	104 Å²	104	68%	0.683	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-89.1	125.3	160.3	-69.6	-174.1	-177.6	-179.4	0	109.2	T269 I289	T269-K271 VanDerWaalsContact C-N 3.33Å; T269-K271 PolarHBondContact O-N 3.39Å; K271-I289 HydrophobicContact CB-CD1 3.66Å; K271-I289 VanDerWaalsContact O-CG1 3.31Å; K271-I289 WeakPolarHBondContact O-CG1 3.35Å; K271-I289 PolarHBondContact O-N 3.34Å
272	T	59.9	Low	61.8	Low	75 Å²	75	107 Å²	107	46%	0.46	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.8	132.6	174.4	53.8	0	0	0	0	109.8	Y288	T272-Y288 HydrophobicContact CG2-CD1 3.69Å; T272-Y288 HydrophobicContact CG2-CE1 3.67Å
273	I	53.8	Low	59.5	Low	93 Å²	93	109.1 Å²	109.1	48%	0.477	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.8	121.5	164	-66.3	173	0	0	0	106.9	I275 I287 I289	I273-I275 HydrophobicContact CG2-CG1 3.96Å; I273-I275 PolarHBondContact O-N 3.11Å; I273-I287 PolarHBondContact N-O 3.03Å; I273-I287 PolarHBondContact O-N 3.27Å; I273-I289 HydrophobicContact CB-CG1 4.27Å; I273-I289 HydrophobicContact CD1-CD1 3.6Å; I273-I289 HydrophobicContact CD1-CG1 3.51Å; I273-I289 HydrophobicContact CG1-CD1 3.58Å; I273-I289 HydrophobicContact CG1-CG1 3.5Å
274	T	53.2	Low	57.4	Low	86 Å²	86	110.9 Å²	110.9	53%	0.528	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.4	103.6	171.2	50.4	0	0	0	0	108.6	N276 K286	T274-N276 PolarHBondContact O-N 3.47Å; T274-K286 HydrophobicContact CG2-CG 4.31Å
275	I	52.7	Low	55.7	Low	83 Å²	83	116 Å²	116	43%	0.426	61%	0.606	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.6	105.1	170.2	-50.9	-174.2	0	0	0	107.6	I273 V277 I287	I273-I275 HydrophobicContact CG2-CG1 3.96Å; I273-I275 PolarHBondContact O-N 3.11Å; I275-V277 VanDerWaalsContact C-N 3.33Å; I275-V277 HydrophobicContact CG2-CG2 3.54Å; I275-V277 PolarHBondContact O-N 3.13Å; I275-V277 VanDerWaalsContact O-N 3.11Å; I275-I287 HydrophobicContact CD1-CD1 3.97Å; I275-I287 HydrophobicContact CG1-CD1 4.43Å
276	N	44.4	Very low	54.2	Low	125 Å²	125	116.9 Å²	116.9	67%	0.668	61%	0.605	S	S	*	*			trans	-81.7	81.1	170	-87.4	-24.4	0	0	0	109.5	T274 K278 P284	T274-N276 PolarHBondContact O-N 3.47Å; N276-K278 PolarHBondContact O-N 3.02Å; N276-P284 VanDerWaalsContact OD1-CB 3.25Å; N276-P284 WeakPolarHBondContact OD1-CB 3.21Å
277	V	53.1	Low	53.1	Low	87 Å²	87	118.7 Å²	118.7	53%	0.527	61%	0.609	S	S	.	*			trans	-78.7	104.3	165.3	-172.9	0	0	0	0	107.7	I275 C279	I275-V277 VanDerWaalsContact C-N 3.33Å; I275-V277 HydrophobicContact CG2-CG2 3.54Å; I275-V277 PolarHBondContact O-N 3.13Å; I275-V277 VanDerWaalsContact O-N 3.11Å; V277-C279 VanDerWaalsContact C-N 3.3Å; V277-C279 HydrophobicContact CG1-CB 4.27Å; V277-C279 PolarHBondContact O-N 3.19Å
278	K	37.9	Very low	52.7	Low	215 Å²	215	119.8 Å²	119.8	94%	0.935	60%	0.603	S	S	*	*			trans	-73.4	86.6	167.8	-83.7	-177.2	176.5	177	0	108.8	N276	N276-K278 PolarHBondContact O-N 3.02Å
279	C	40.9	Very low	53.1	Low	68 Å²	68	117.2 Å²	117.2	46%	0.459	58%	0.579	S	S	.	*	B	Isolated β-bridge	trans	-116.7	135.4	164.2	-162.8	0	0	0	0	108.8	V277 F281 I282	V277-C279 VanDerWaalsContact C-N 3.3Å; V277-C279 HydrophobicContact CG1-CB 4.27Å; V277-C279 PolarHBondContact O-N 3.19Å; C279-F281 PolarHBondContact O-N 2.92Å; C279-I282 HydrophobicContact CB-CB 4.34Å; C279-I282 HydrophobicContact CB-CD1 4.41Å; C279-I282 PolarHBondContact O-N 3.48Å
280	R	44.3	Very low	53.9	Low	245 Å²	245	115.2 Å²	115.2	93%	0.925	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	-13.5	-167.1	-155	174.4	-173.8	167.6	0.8	115
281	F	44.6	Very low	54.9	Low	195 Å²	195	113.3 Å²	113.3	86%	0.855	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.9	1.2	-178.8	-72.6	-80.7	0	0	0	114.8	C279	C279-F281 PolarHBondContact O-N 2.92Å
282	I	45.6	Very low	55.9	Low	102 Å²	102	112 Å²	112	52%	0.523	56%	0.556	S	S	.	*	B	Isolated β-bridge	trans	-125.3	105.7	-173.7	-59	172.4	0	0	0	108.4	C279	C279-I282 HydrophobicContact CB-CB 4.34Å; C279-I282 HydrophobicContact CB-CD1 4.41Å; C279-I282 PolarHBondContact O-N 3.48Å
283	S	41.9	Very low	57.3	Low	100 Å²	100	112.8 Å²	112.8	70%	0.699	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-60.5	149.3	170.8	-66.3	0	0	0	0	111	R285	S283-R285 PolarHBondContact O-N 2.92Å; S283-R285 VanDerWaalsContact O-N 3.14Å
284	P	43.7	Very low	59.1	Low	88 Å²	88	108.4 Å²	108.4	57%	0.571	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-57.4	121.3	-179.7	24.2	-34.2	0	0	0	110.5	N276	N276-P284 VanDerWaalsContact OD1-CB 3.25Å; N276-P284 WeakPolarHBondContact OD1-CB 3.21Å
285	R	50.3	Low	61	Low	201 Å²	201	107.5 Å²	107.5	76%	0.758	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	125.7	175.1	-85.3	-175.1	162	176.7	-3.1	109.3	S283 I287	S283-R285 PolarHBondContact O-N 2.92Å; S283-R285 VanDerWaalsContact O-N 3.14Å; R285-I287 PolarHBondContact O-N 3.44Å
286	K	57.2	Low	63	Low	152 Å²	152	106.8 Å²	106.8	66%	0.661	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	114.8	166.4	-62.4	-170.7	178.1	-175.9	0	107.7	T274	T274-K286 HydrophobicContact CG2-CG 4.31Å
287	I	62.1	Low	65.4	Low	74 Å²	74	104.7 Å²	104.7	38%	0.379	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	121.8	175.1	-63.7	165.6	0	0	0	107	I273 I275 R285	I273-I287 PolarHBondContact N-O 3.03Å; I273-I287 PolarHBondContact O-N 3.27Å; I275-I287 HydrophobicContact CD1-CD1 3.97Å; I275-I287 HydrophobicContact CG1-CD1 4.43Å; R285-I287 PolarHBondContact O-N 3.44Å
288	Y	68.4	Low	67.4	Low	112 Å²	112	100.6 Å²	100.6	44%	0.439	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	127.9	172.8	-62.5	-82.4	0	0	0	108.2	T272 L290 S291	T272-Y288 HydrophobicContact CG2-CD1 3.69Å; T272-Y288 HydrophobicContact CG2-CE1 3.67Å; Y288-L290 PolarHBondContact O-N 3.18Å; Y288-L290 VanDerWaalsContact O-N 3.15Å; Y288-S291 VanDerWaalsContact O-CB 3.28Å; Y288-S291 WeakPolarHBondContact O-CB 3.32Å; Y288-S291 PolarHBondContact O-N 2.95Å
289	I	75.2	Confident	70.2	Confident	62 Å²	62	93.3 Å²	93.3	32%	0.318	46%	0.464	S	S	.	.	H	α-helix	trans	-53.8	-38.6	178.3	-60.8	176.7	0	0	0	110.3	K271 I273 S291 L292	K271-I289 HydrophobicContact CB-CD1 3.66Å; K271-I289 VanDerWaalsContact O-CG1 3.31Å; K271-I289 WeakPolarHBondContact O-CG1 3.35Å; K271-I289 PolarHBondContact O-N 3.34Å; I273-I289 HydrophobicContact CB-CG1 4.27Å; I273-I289 HydrophobicContact CD1-CD1 3.6Å; I273-I289 HydrophobicContact CD1-CG1 3.51Å; I273-I289 HydrophobicContact CG1-CD1 3.58Å; I273-I289 HydrophobicContact CG1-CG1 3.5Å; I289-S291 PolarHBondContact O-N 2.99Å; I289-L292 VanDerWaalsContact O-CB 3.23Å; I289-L292 WeakPolarHBondContact O-CB 3.46Å; I289-L292 PolarHBondContact O-N 2.9Å
290	L	80.9	Confident	72.9	Confident	22 Å²	22	92.5 Å²	92.5	12%	0.115	46%	0.462	C	S	.	.	H	α-helix	trans	-55.5	-37.3	177.9	-172.3	56	0	0	0	112.7	T259 I262 Q263 Y288 L292 V293 T294	T259-L290 HydrophobicContact CG2-CB 4.35Å; T259-L290 HydrophobicContact CG2-CD2 3.63Å; T259-L290 HydrophobicContact CG2-CG 3.97Å; I262-L290 HydrophobicContact CB-CD1 4.27Å; I262-L290 HydrophobicContact CB-CD2 4.01Å; I262-L290 HydrophobicContact CD1-CD1 3.82Å; I262-L290 HydrophobicContact CG2-CD1 3.81Å; I262-L290 HydrophobicContact CG2-CD2 3.87Å; Q263-L290 HydrophobicContact CG-CD2 3.76Å; Y288-L290 PolarHBondContact O-N 3.18Å; Y288-L290 VanDerWaalsContact O-N 3.15Å; L290-L292 PolarHBondContact O-N 3.49Å; L290-V293 PolarHBondContact O-N 3.43Å; L290-V293 VanDerWaalsContact O-N 3.12Å; L290-T294 HydrophobicContact CD1-CG2 4.23Å; L290-T294 HydrophobicContact CG-CG2 4.38Å; L290-T294 PolarHBondContact O-N 2.95Å; L290-T294 PolarHBondContact O-OG1 3.25Å; L290-T294 VanDerWaalsContact O-OG1 3.12Å
291	S	80.8	Confident	75.3	Confident	37 Å²	37	83.9 Å²	83.9	26%	0.259	43%	0.434	S	S	.	.	H	α-helix	trans	-65.3	-25.2	176.4	-176.3	0	0	0	0	113	Y288 I289 V293 T294 L295	Y288-S291 VanDerWaalsContact O-CB 3.28Å; Y288-S291 WeakPolarHBondContact O-CB 3.32Å; Y288-S291 PolarHBondContact O-N 2.95Å; I289-S291 PolarHBondContact O-N 2.99Å; S291-V293 VanDerWaalsContact C-N 3.3Å; S291-T294 WeakPolarHBondContact CA-OG1 3.48Å; S291-L295 WeakPolarHBondContact O-CB 3.29Å; S291-L295 PolarHBondContact O-N 3.03Å
292	L	83.5	Confident	77.8	Confident	131 Å²	131	74.6 Å²	74.6	69%	0.686	39%	0.393	S	S	*	.	H	α-helix	trans	-74.2	-25.7	177.4	-164.7	69.3	0	0	0	111.5	I289 L290 P296	I289-L292 VanDerWaalsContact O-CB 3.23Å; I289-L292 WeakPolarHBondContact O-CB 3.46Å; I289-L292 PolarHBondContact O-N 2.9Å; L290-L292 PolarHBondContact O-N 3.49Å; L292-P296 WeakPolarHBondContact O-CD 3.37Å; L292-P296 WeakPolarHBondContact O-CG 3.19Å
293	V	88.5	Confident	80.1	Confident	90 Å²	90	72.8 Å²	72.8	55%	0.545	39%	0.387	S	S	.	.	H	α-helix	trans	-87.7	-42	177.6	-178.9	0	0	0	0	111.3	L290 S291 P296	L290-V293 PolarHBondContact O-N 3.43Å; L290-V293 VanDerWaalsContact O-N 3.12Å; S291-V293 VanDerWaalsContact C-N 3.3Å; V293-P296 WeakPolarHBondContact O-CD 3.35Å
294	T	91.8	Very high	82.7	Confident	1 Å²	1	71.1 Å²	71.1	1%	0.006	37%	0.372	C	S	.	.	H	α-helix	trans	-78.4	-26.4	-176	55.7	0	0	0	0	113.4	S255 L258 T259 I262 L290 S291 I297 G298	S255-T294 PolarHBondContact O-OG1 3.39Å; S255-T294 PolarHBondContact OG-OG1 2.95Å; L258-T294 HydrophobicContact CB-CG2 3.72Å; T259-T294 PolarHBondContact OG1-OG1 3.38Å; I262-T294 HydrophobicContact CD1-CG2 3.88Å; L290-T294 HydrophobicContact CD1-CG2 4.23Å; L290-T294 HydrophobicContact CG-CG2 4.38Å; L290-T294 PolarHBondContact O-N 2.95Å; L290-T294 PolarHBondContact O-OG1 3.25Å; L290-T294 VanDerWaalsContact O-OG1 3.12Å; S291-T294 WeakPolarHBondContact CA-OG1 3.48Å; T294-I297 PolarHBondContact O-N 2.84Å; T294-G298 PolarHBondContact O-N 3.26Å
295	L	93.3	Very high	85.2	Confident	67 Å²	67	67.1 Å²	67.1	35%	0.351	35%	0.346	S	S	.	.	H	α-helix	trans	-67.4	-43.1	-179	-176.4	141.3	0	0	0	113.5	S255 S291 I297 G298 L299	S255-L295 PolarHBondContact OG-N 2.92Å; S291-L295 WeakPolarHBondContact O-CB 3.29Å; S291-L295 PolarHBondContact O-N 3.03Å; L295-I297 VanDerWaalsContact C-N 3.28Å; L295-I297 PolarHBondContact O-N 2.95Å; L295-G298 PolarHBondContact O-N 3.48Å; L295-L299 HydrophobicContact CD2-CD1 3.56Å; L295-L299 HydrophobicContact CD2-CG 4.21Å; L295-L299 HydrophobicContact CG-CD1 4.47Å; L295-L299 WeakPolarHBondContact O-CB 3.37Å; L295-L299 WeakPolarHBondContact O-CG 3.32Å; L295-L299 PolarHBondContact O-N 3.4Å
296	P	95	Very high	87.4	Confident	69 Å²	69	60.3 Å²	60.3	45%	0.448	33%	0.325	S	S	.	.	H	α-helix	trans	-56.7	-38.3	170.4	-27.8	34.7	0	0	0	113.7	L292 V293 L299 A300	L292-P296 WeakPolarHBondContact O-CD 3.37Å; L292-P296 WeakPolarHBondContact O-CG 3.19Å; V293-P296 WeakPolarHBondContact O-CD 3.35Å; P296-L299 PolarHBondContact O-N 3Å; P296-A300 WeakPolarHBondContact O-CB 3.22Å; P296-A300 PolarHBondContact O-N 3.46Å
297	I	95.3	Very high	89.2	Confident	81 Å²	81	58.4 Å²	58.4	42%	0.415	33%	0.325	S	S	.	.	H	α-helix	trans	-65.4	-47.5	176.9	-58.9	171.8	0	0	0	110.1	L258 T294 L295 L299 A300 I301	L258-I297 HydrophobicContact CD1-CG2 4.18Å; T294-I297 PolarHBondContact O-N 2.84Å; L295-I297 VanDerWaalsContact C-N 3.28Å; L295-I297 PolarHBondContact O-N 2.95Å; I297-L299 VanDerWaalsContact C-N 3.32Å; I297-L299 PolarHBondContact O-N 3.31Å; I297-A300 PolarHBondContact O-N 3.14Å; I297-I301 HydrophobicContact CG2-CD1 4.32Å; I297-I301 WeakPolarHBondContact O-CG1 3.25Å; I297-I301 PolarHBondContact O-N 3.47Å; I297-I301 VanDerWaalsContact O-N 3.13Å
298	G	95.3	Very high	90.7	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-60.4	-40.3	175.3	0	0	0	0	0	112.8	T294 L295 I301 A302	T294-G298 PolarHBondContact O-N 3.26Å; L295-G298 PolarHBondContact O-N 3.48Å; G298-I301 PolarHBondContact O-N 3.02Å; G298-A302 WeakPolarHBondContact O-CB 3.46Å; G298-A302 PolarHBondContact O-N 3.15Å
299	L	95.9	Very high	91.8	Very high	62 Å²	62	57 Å²	57	33%	0.325	32%	0.317	S	S	.	.	H	α-helix	trans	-63.3	-44.6	174.8	-79.2	173	0	0	0	111.5	A251 L295 P296 I297 I301 A302 T303	A251-L299 HydrophobicContact CB-CB 4.48Å; A251-L299 HydrophobicContact CB-CD2 3.71Å; A251-L299 HydrophobicContact CB-CG 3.96Å; L295-L299 HydrophobicContact CD2-CD1 3.56Å; L295-L299 HydrophobicContact CD2-CG 4.21Å; L295-L299 HydrophobicContact CG-CD1 4.47Å; L295-L299 WeakPolarHBondContact O-CB 3.37Å; L295-L299 WeakPolarHBondContact O-CG 3.32Å; L295-L299 PolarHBondContact O-N 3.4Å; P296-L299 PolarHBondContact O-N 3Å; I297-L299 VanDerWaalsContact C-N 3.32Å; I297-L299 PolarHBondContact O-N 3.31Å; L299-I301 VanDerWaalsContact C-N 3.33Å; L299-I301 PolarHBondContact O-N 2.99Å; L299-A302 PolarHBondContact O-N 3.25Å; L299-T303 WeakPolarHBondContact O-CB 3.33Å; L299-T303 VanDerWaalsContact O-CG2 3.28Å; L299-T303 WeakPolarHBondContact O-CG2 3.31Å; L299-T303 PolarHBondContact O-N 3.37Å; L299-T303 PolarHBondContact O-OG1 3.3Å
300	A	96.4	Very high	92.3	Very high	52 Å²	52	59.1 Å²	59.1	43%	0.43	33%	0.329	S	S	.	.	H	α-helix	trans	-59.9	-41.4	178.5	0	0	0	0	0	112.5	P296 I297 T303 T304	P296-A300 WeakPolarHBondContact O-CB 3.22Å; P296-A300 PolarHBondContact O-N 3.46Å; I297-A300 PolarHBondContact O-N 3.14Å; A300-T303 WeakPolarHBondContact CA-OG1 3.31Å; A300-T303 PolarHBondContact O-OG1 3.11Å; A300-T303 VanDerWaalsContact O-OG1 3.06Å; A300-T304 WeakPolarHBondContact O-CB 3.37Å; A300-T304 PolarHBondContact O-N 3.41Å; A300-T304 PolarHBondContact O-OG1 3.07Å
301	I	96.3	Very high	92.7	Very high	63 Å²	63	61 Å²	61	32%	0.323	34%	0.34	S	S	.	.	H	α-helix	trans	-67.3	-45.2	176.6	-64.5	169.2	0	0	0	110.5	I254 I297 G298 L299 T304 W305 L318 I322	I254-I301 HydrophobicContact CD1-CB 4.24Å; I254-I301 HydrophobicContact CD1-CG2 3.95Å; I254-I301 HydrophobicContact CG2-CD1 4.32Å; I297-I301 HydrophobicContact CG2-CD1 4.32Å; I297-I301 WeakPolarHBondContact O-CG1 3.25Å; I297-I301 PolarHBondContact O-N 3.47Å; I297-I301 VanDerWaalsContact O-N 3.13Å; G298-I301 PolarHBondContact O-N 3.02Å; L299-I301 VanDerWaalsContact C-N 3.33Å; L299-I301 PolarHBondContact O-N 2.99Å; I301-T304 WeakPolarHBondContact O-CB 3.28Å; I301-T304 PolarHBondContact O-N 2.99Å; I301-W305 PolarHBondContact O-N 3.16Å; I301-L318 HydrophobicContact CG2-CD1 4.24Å; I301-I322 HydrophobicContact CG2-CD1 4.38Å; I301-I322 HydrophobicContact CG2-CG1 4.22Å
302	A	95.9	Very high	92.9	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-68	-35.8	-179.5	0	0	0	0	0	113.1	V247 A251 G298 L299 W305 L306	V247-A302 HydrophobicContact CB-CB 4.5Å; V247-A302 HydrophobicContact CG1-CB 3.92Å; A251-A302 HydrophobicContact CB-CB 4.16Å; G298-A302 WeakPolarHBondContact O-CB 3.46Å; G298-A302 PolarHBondContact O-N 3.15Å; L299-A302 PolarHBondContact O-N 3.25Å; A302-W305 WeakPolarHBondContact O-CB 3.19Å; A302-W305 PolarHBondContact O-N 3.17Å; A302-L306 PolarHBondContact O-N 2.98Å
303	T	95.1	Very high	92.9	Very high	64 Å²	64	61.4 Å²	61.4	39%	0.393	34%	0.338	S	S	.	.	H	α-helix	trans	-72.3	-34.6	174.3	55.7	0	0	0	0	111.7	L299 A300 W305 L306 V307	L299-T303 WeakPolarHBondContact O-CB 3.33Å; L299-T303 VanDerWaalsContact O-CG2 3.28Å; L299-T303 WeakPolarHBondContact O-CG2 3.31Å; L299-T303 PolarHBondContact O-N 3.37Å; L299-T303 PolarHBondContact O-OG1 3.3Å; A300-T303 WeakPolarHBondContact CA-OG1 3.31Å; A300-T303 PolarHBondContact O-OG1 3.11Å; A300-T303 VanDerWaalsContact O-OG1 3.06Å; T303-W305 VanDerWaalsContact C-N 3.3Å; T303-W305 PolarHBondContact O-N 2.92Å; T303-L306 WeakPolarHBondContact O-CB 3.07Å; T303-L306 PolarHBondContact O-N 3.47Å; T303-L306 VanDerWaalsContact O-N 3.13Å; T303-V307 WeakPolarHBondContact O-CG2 3.31Å; T303-V307 PolarHBondContact O-N 3.5Å
304	T	95.7	Very high	92.9	Very high	65 Å²	65	61 Å²	61	40%	0.399	33%	0.332	S	S	.	.	H	α-helix	trans	-58.3	-45.5	170.8	-59.7	0	0	0	0	110.3	A300 I301 L306 V307 F308 L318	A300-T304 WeakPolarHBondContact O-CB 3.37Å; A300-T304 PolarHBondContact O-N 3.41Å; A300-T304 PolarHBondContact O-OG1 3.07Å; I301-T304 WeakPolarHBondContact O-CB 3.28Å; I301-T304 PolarHBondContact O-N 2.99Å; T304-L306 PolarHBondContact O-N 3.13Å; T304-V307 PolarHBondContact O-N 3.38Å; T304-F308 HydrophobicContact CG2-CD2 3.87Å; T304-F308 HydrophobicContact CG2-CE2 4.13Å; T304-F308 VanDerWaalsContact O-CD2 3.31Å; T304-F308 WeakPolarHBondContact O-CD2 3.17Å; T304-F308 PolarHBondContact O-N 3.48Å; T304-F308 VanDerWaalsContact O-N 3.09Å; T304-L318 HydrophobicContact CG2-CD2 4.12Å
305	W	96.7	Very high	92.9	Very high	4 Å²	4	61 Å²	61	2%	0.015	33%	0.332	C	S	.	.	H	α-helix	trans	-59.2	-44.8	172.5	173.2	79.1	0	0	0	112.5	I243 F246 V247 I301 A302 T303 V307 F308 R309 G315 L318 Q319 I322 P409	I243-W305 HydrophobicContact CG1-CH2 4.46Å; I243-W305 HydrophobicContact CG2-CH2 4.26Å; I243-W305 HydrophobicContact CG2-CZ3 4.11Å; F246-W305 HydrophobicContact CD1-CD2 4.04Å; F246-W305 AromaticContact CD1-CE3 3.61Å; F246-W305 HydrophobicContact CD1-CE3 3.61Å; F246-W305 AromaticContact CD1-CH2 3.56Å; F246-W305 HydrophobicContact CD1-CH2 3.56Å; F246-W305 AromaticContact CD1-CZ2 4Å; F246-W305 HydrophobicContact CD1-CZ2 4Å; F246-W305 AromaticContact CD1-CZ3 3.35Å; F246-W305 HydrophobicContact CD1-CZ3 3.35Å; F246-W305 AromaticContact CE1-CD2 3.68Å; F246-W305 HydrophobicContact CE1-CD2 3.68Å; F246-W305 AromaticContact CE1-CE2 3.78Å; F246-W305 AromaticContact CE1-CE3 3.72Å; F246-W305 HydrophobicContact CE1-CE3 3.72Å; F246-W305 HydrophobicContact CE1-CG 4.35Å; F246-W305 AromaticContact CE1-CH2 3.99Å; F246-W305 HydrophobicContact CE1-CH2 3.99Å; F246-W305 AromaticContact CE1-CZ2 3.95Å; F246-W305 HydrophobicContact CE1-CZ2 3.95Å; F246-W305 AromaticContact CE1-CZ3 3.89Å; F246-W305 HydrophobicContact CE1-CZ3 3.89Å; F246-W305 HydrophobicContact CG-CH2 4.32Å; F246-W305 HydrophobicContact CG-CZ3 4.35Å; V247-W305 HydrophobicContact CG2-CE3 4.03Å; V247-W305 HydrophobicContact CG2-CZ3 3.91Å; I301-W305 PolarHBondContact O-N 3.16Å; A302-W305 WeakPolarHBondContact O-CB 3.19Å; A302-W305 PolarHBondContact O-N 3.17Å; T303-W305 VanDerWaalsContact C-N 3.3Å; T303-W305 PolarHBondContact O-N 2.92Å; W305-V307 VanDerWaalsContact C-N 3.26Å; W305-V307 PolarHBondContact O-N 3.21Å; W305-F308 CarbonylContact O-C 3.54Å; W305-F308 PolarHBondContact O-N 2.83Å; W305-F308 VanDerWaalsContact O-N 3.17Å; W305-R309 HydrophobicContact CZ2-CB 4.11Å; W305-R309 WeakPolarHBondContact O-CA 3.1Å; W305-R309 WeakPolarHBondContact O-CB 3.47Å; W305-R309 PolarHBondContact O-N 3.45Å; W305-G315 VanDerWaalsContact CD1-O 3.24Å; W305-G315 PolarHBondContact NE1-O 3.32Å; W305-L318 HydrophobicContact CB-CD2 3.69Å; W305-L318 HydrophobicContact CB-CG 3.97Å; W305-Q319 HydrophobicContact CZ2-CG 4.28Å; W305-Q319 VanDerWaalsContact NE1-CB 3.34Å; W305-I322 HydrophobicContact CB-CD1 3.51Å; W305-I322 HydrophobicContact CG-CD1 3.86Å; W305-P409 HydrophobicContact CH2-CB 3.55Å; W305-P409 HydrophobicContact CH2-CG 3.86Å; W305-P409 HydrophobicContact CZ2-CB 3.54Å; W305-P409 HydrophobicContact CZ2-CG 4.35Å
306	L	95.5	Very high	92.8	Very high	59 Å²	59	59 Å²	59	31%	0.309	32%	0.32	S	S	.	.	H	α-helix	trans	-57.6	-38.4	179.9	-176.9	65.6	0	0	0	112.9	I243 V247 A302 T303 T304 R309	I243-L306 HydrophobicContact CG2-CD1 3.38Å; V247-L306 HydrophobicContact CG2-CB 4.13Å; V247-L306 HydrophobicContact CG2-CD1 4.18Å; V247-L306 HydrophobicContact CG2-CD2 4.37Å; V247-L306 HydrophobicContact CG2-CG 4.47Å; A302-L306 PolarHBondContact O-N 2.98Å; T303-L306 WeakPolarHBondContact O-CB 3.07Å; T303-L306 PolarHBondContact O-N 3.47Å; T303-L306 VanDerWaalsContact O-N 3.13Å; T304-L306 PolarHBondContact O-N 3.13Å; L306-R309 WeakPolarHBondContact O-CG 3.44Å; L306-R309 PolarHBondContact O-NH1 3.33Å
307	V	95.3	Very high	92.6	Very high	112 Å²	112	57.8 Å²	57.8	68%	0.679	31%	0.312	S	S	*	.	H	α-helix	trans	-70.3	-44.5	177.1	174.9	0	0	0	0	111.2	T303 T304 W305	T303-V307 WeakPolarHBondContact O-CG2 3.31Å; T303-V307 PolarHBondContact O-N 3.5Å; T304-V307 PolarHBondContact O-N 3.38Å; W305-V307 VanDerWaalsContact C-N 3.26Å; W305-V307 PolarHBondContact O-N 3.21Å
308	F	93.2	Very high	92.6	Very high	90 Å²	90	55.8 Å²	55.8	40%	0.395	30%	0.302	S	S	.	.	H	α-helix	trans	-92.1	8.6	-177.3	-68.9	-72	0	0	0	114.5	T304 W305 N310 N311 I314 G315	T304-F308 HydrophobicContact CG2-CD2 3.87Å; T304-F308 HydrophobicContact CG2-CE2 4.13Å; T304-F308 VanDerWaalsContact O-CD2 3.31Å; T304-F308 WeakPolarHBondContact O-CD2 3.17Å; T304-F308 PolarHBondContact O-N 3.48Å; T304-F308 VanDerWaalsContact O-N 3.09Å; W305-F308 CarbonylContact O-C 3.54Å; W305-F308 PolarHBondContact O-N 2.83Å; W305-F308 VanDerWaalsContact O-N 3.17Å; F308-N310 PolarHBondContact O-N 2.86Å; F308-N310 VanDerWaalsContact O-N 3.14Å; F308-N311 WeakPolarHBondContact O-CB 3.23Å; F308-N311 PolarHBondContact O-N 3.38Å; F308-I314 HydrophobicContact CB-CG2 4.34Å; F308-I314 HydrophobicContact CG-CG2 4.47Å; F308-G315 WeakPolarHBondContact O-CA 3.13Å
309	R	91.6	Very high	92.6	Very high	65 Å²	65	56.2 Å²	56.2	25%	0.245	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-32.1	-171.1	75.5	-179.7	-174.7	-76.9	-4.3	114.1	W305 L306 N311 E406	W305-R309 HydrophobicContact CZ2-CB 4.11Å; W305-R309 WeakPolarHBondContact O-CA 3.1Å; W305-R309 WeakPolarHBondContact O-CB 3.47Å; W305-R309 PolarHBondContact O-N 3.45Å; L306-R309 WeakPolarHBondContact O-CG 3.44Å; L306-R309 PolarHBondContact O-NH1 3.33Å; R309-N311 VanDerWaalsContact C-N 3.3Å; R309-E406 IonicContact CZ-OE1 3.7Å; R309-E406 IonicContact CZ-OE2 2.98Å; R309-E406 IonicContact NE-OE1 3.23Å; R309-E406 IonicContact NE-OE2 2.88Å; R309-E406 PolarHBondContact NE-OE2 3.29Å; R309-E406 IonicContact NH2-OE1 3.65Å; R309-E406 PolarHBondContact NH2-OE1 2.91Å; R309-E406 IonicContact NH2-OE2 3.73Å
310	N	87.5	Confident	92.6	Very high	108 Å²	108	53.2 Å²	53.2	58%	0.578	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-6.1	-179	-69.8	-10.9	0	0	0	112.8	F308	F308-N310 PolarHBondContact O-N 2.86Å; F308-N310 VanDerWaalsContact O-N 3.14Å
311	N	88.5	Confident	92.6	Very high	62 Å²	62	53.3 Å²	53.3	33%	0.332	28%	0.283	S	S	.	.			trans	-95.3	110.2	175.6	-177	-17.9	0	0	0	109.2	F308 R309 I313 I314 G315	F308-N311 WeakPolarHBondContact O-CB 3.23Å; F308-N311 PolarHBondContact O-N 3.38Å; R309-N311 VanDerWaalsContact C-N 3.3Å; N311-I313 PolarHBondContact O-N 3Å; N311-I313 WeakPolarHBondContact OD1-CB 3.47Å; N311-I313 PolarHBondContact OD1-N 2.86Å; N311-I314 PolarHBondContact O-N 2.76Å; N311-G315 VanDerWaalsContact O-CA 3.25Å; N311-G315 WeakPolarHBondContact O-CA 3.49Å; N311-G315 PolarHBondContact O-N 3.23Å
312	D	84.7	Confident	92.6	Very high	62 Å²	62	50.3 Å²	50.3	33%	0.332	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-24.3	-175.1	-55.2	-26.5	0	0	0	113.4	W316 L415	D312-W316 HydrophobicContact CB-CD2 4Å; D312-W316 HydrophobicContact CB-CE3 4.42Å; D312-W316 HydrophobicContact CB-CG 4.45Å; D312-W316 HydrophobicContact CB-CH2 4.28Å; D312-W316 HydrophobicContact CB-CZ2 3.85Å; D312-W316 WeakPolarHBondContact OD1-CZ2 3.31Å; D312-W316 PolarHBondContact OD1-NE1 2.93Å; D312-L415 HydrophobicContact CB-CD1 3.89Å
313	I	83.8	Confident	92.7	Very high	114 Å²	114	50.3 Å²	50.3	59%	0.585	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-39.5	-177.5	-58.9	172.5	0	0	0	111.4	N311 P317	N311-I313 PolarHBondContact O-N 3Å; N311-I313 WeakPolarHBondContact OD1-CB 3.47Å; N311-I313 PolarHBondContact OD1-N 2.86Å; I313-P317 WeakPolarHBondContact O-CD 3.15Å; I313-P317 WeakPolarHBondContact O-CG 3.46Å
314	I	88.6	Confident	92.8	Very high	82 Å²	82	48.2 Å²	48.2	42%	0.421	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-43.9	-175.1	-60.1	174.8	0	0	0	111	F308 N311 P317 L318	F308-I314 HydrophobicContact CB-CG2 4.34Å; F308-I314 HydrophobicContact CG-CG2 4.47Å; N311-I314 PolarHBondContact O-N 2.76Å; I314-P317 WeakPolarHBondContact O-CD 3.29Å; I314-L318 WeakPolarHBondContact O-CB 3.38Å; I314-L318 PolarHBondContact O-N 3.32Å; I314-L318 VanDerWaalsContact O-N 3.13Å
315	G	91.2	Very high	92.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.3	-42	-175.2	0	0	0	0	0	112.9	W305 F308 N311 Q319	W305-G315 VanDerWaalsContact CD1-O 3.24Å; W305-G315 PolarHBondContact NE1-O 3.32Å; F308-G315 WeakPolarHBondContact O-CA 3.13Å; N311-G315 VanDerWaalsContact O-CA 3.25Å; N311-G315 WeakPolarHBondContact O-CA 3.49Å; N311-G315 PolarHBondContact O-N 3.23Å; G315-Q319 WeakPolarHBondContact O-CB 3.38Å; G315-Q319 PolarHBondContact O-N 2.88Å
316	W	91.5	Very high	92.9	Very high	25 Å²	25	47.4 Å²	47.4	10%	0.095	25%	0.245	C	C	.	.	H	α-helix	trans	-73.3	-44.5	-177.1	-63.1	10.1	0	0	0	113.5	D312 L318 Q319 S320 L407 R413 L415 T433	D312-W316 HydrophobicContact CB-CD2 4Å; D312-W316 HydrophobicContact CB-CE3 4.42Å; D312-W316 HydrophobicContact CB-CG 4.45Å; D312-W316 HydrophobicContact CB-CH2 4.28Å; D312-W316 HydrophobicContact CB-CZ2 3.85Å; D312-W316 WeakPolarHBondContact OD1-CZ2 3.31Å; D312-W316 PolarHBondContact OD1-NE1 2.93Å; W316-L318 VanDerWaalsContact C-N 3.31Å; W316-L318 PolarHBondContact O-N 3.08Å; W316-Q319 WeakPolarHBondContact O-CB 3.46Å; W316-Q319 PolarHBondContact O-N 3.35Å; W316-S320 PolarHBondContact O-N 3.25Å; W316-S320 PolarHBondContact O-OG 3Å; W316-S320 VanDerWaalsContact O-OG 3.11Å; W316-L407 HydrophobicContact CZ2-CD1 4.4Å; W316-R413 CarbonylContact C-O 3.59Å; W316-R413 HydrophobicContact CB-CB 3.97Å; W316-R413 HydrophobicContact CD2-CB 4.06Å; W316-R413 HydrophobicContact CE3-CB 4.06Å; W316-R413 HydrophobicContact CG-CB 4.04Å; W316-L415 HydrophobicContact CE3-CB 3.73Å; W316-L415 HydrophobicContact CH2-CD1 4.32Å; W316-L415 HydrophobicContact CZ3-CB 3.65Å; W316-L415 HydrophobicContact CZ3-CD1 4.17Å; W316-L415 HydrophobicContact CZ3-CG 4.49Å; W316-T433 HydrophobicContact CH2-CG2 3.93Å; W316-T433 HydrophobicContact CZ3-CG2 3.78Å
317	P	91.6	Very high	93	Very high	44 Å²	44	44.7 Å²	44.7	29%	0.286	23%	0.231	S	C	.	.	H	α-helix	trans	-60.1	-42.1	171.3	-26.2	36.6	0	0	0	112.2	I313 I314 Q319 S320 V321 L414	I313-P317 WeakPolarHBondContact O-CD 3.15Å; I313-P317 WeakPolarHBondContact O-CG 3.46Å; I314-P317 WeakPolarHBondContact O-CD 3.29Å; P317-Q319 PolarHBondContact O-N 3.49Å; P317-S320 WeakPolarHBondContact O-CB 3.37Å; P317-S320 PolarHBondContact O-N 2.92Å; P317-S320 VanDerWaalsContact O-N 3.15Å; P317-V321 WeakPolarHBondContact O-CG2 3.26Å; P317-V321 PolarHBondContact O-N 3.13Å; P317-L414 HydrophobicContact CG-CD1 4.39Å
318	L	94.5	Very high	93.1	Very high	38 Å²	38	39.3 Å²	39.3	20%	0.199	20%	0.199	C	C	.	.	H	α-helix	trans	-65.3	-39	178.3	-172.8	60.7	0	0	0	111.9	I301 T304 W305 I314 W316 S320 V321 I322	I301-L318 HydrophobicContact CG2-CD1 4.24Å; T304-L318 HydrophobicContact CG2-CD2 4.12Å; W305-L318 HydrophobicContact CB-CD2 3.69Å; W305-L318 HydrophobicContact CB-CG 3.97Å; I314-L318 WeakPolarHBondContact O-CB 3.38Å; I314-L318 PolarHBondContact O-N 3.32Å; I314-L318 VanDerWaalsContact O-N 3.13Å; W316-L318 VanDerWaalsContact C-N 3.31Å; W316-L318 PolarHBondContact O-N 3.08Å; L318-S320 VanDerWaalsContact C-N 3.3Å; L318-S320 PolarHBondContact O-N 3.44Å; L318-V321 PolarHBondContact O-N 3.49Å; L318-I322 HydrophobicContact CG-CD1 4.25Å; L318-I322 WeakPolarHBondContact O-CG1 3.17Å; L318-I322 PolarHBondContact O-N 3.38Å
319	Q	95.8	Very high	93.2	Very high	9 Å²	9	35.4 Å²	35.4	4%	0.042	18%	0.182	C	C	.	.	H	α-helix	trans	-56.8	-45.7	171	-169	176.9	-66.3	0	0	111.1	F246 W305 G315 W316 P317 I322 G323 P409 S411	F246-Q319 HydrophobicContact CE1-CG 4.24Å; F246-Q319 HydrophobicContact CE2-CG 4.31Å; F246-Q319 HydrophobicContact CZ-CG 3.71Å; W305-Q319 HydrophobicContact CZ2-CG 4.28Å; W305-Q319 VanDerWaalsContact NE1-CB 3.34Å; G315-Q319 WeakPolarHBondContact O-CB 3.38Å; G315-Q319 PolarHBondContact O-N 2.88Å; W316-Q319 WeakPolarHBondContact O-CB 3.46Å; W316-Q319 PolarHBondContact O-N 3.35Å; P317-Q319 PolarHBondContact O-N 3.49Å; Q319-I322 PolarHBondContact O-N 3.48Å; Q319-G323 PolarHBondContact O-N 3.01Å; Q319-P409 HydrophobicContact CG-CB 4.3Å; Q319-S411 PolarHBondContact NE2-O 3.46Å
320	S	95.6	Very high	93.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.4	-39.3	-179.2	-62.9	0	0	0	0	111.6	W316 P317 L318 G323 M324 R413	W316-S320 PolarHBondContact O-N 3.25Å; W316-S320 PolarHBondContact O-OG 3Å; W316-S320 VanDerWaalsContact O-OG 3.11Å; P317-S320 WeakPolarHBondContact O-CB 3.37Å; P317-S320 PolarHBondContact O-N 2.92Å; P317-S320 VanDerWaalsContact O-N 3.15Å; L318-S320 VanDerWaalsContact C-N 3.3Å; L318-S320 PolarHBondContact O-N 3.44Å; S320-G323 PolarHBondContact O-N 2.94Å; S320-M324 WeakPolarHBondContact O-CG 3.42Å; S320-M324 PolarHBondContact O-N 3.39Å; S320-R413 PolarHBondContact OG-N 3.47Å; S320-R413 PolarHBondContact OG-O 3.1Å
321	V	96	Very high	93.6	Very high	53 Å²	53	30.8 Å²	30.8	32%	0.321	16%	0.161	S	C	.	.	H	α-helix	trans	-64.1	-47.8	174.4	173.1	0	0	0	0	111.9	P317 L318 G323 M324 F325	P317-V321 WeakPolarHBondContact O-CG2 3.26Å; P317-V321 PolarHBondContact O-N 3.13Å; L318-V321 PolarHBondContact O-N 3.49Å; V321-G323 VanDerWaalsContact C-N 3.27Å; V321-G323 PolarHBondContact O-N 3.32Å; V321-M324 HydrophobicContact CB-CE 4.21Å; V321-M324 HydrophobicContact CG1-CE 4.4Å; V321-M324 HydrophobicContact CG2-CE 3.92Å; V321-M324 WeakPolarHBondContact O-CB 3.42Å; V321-M324 PolarHBondContact O-N 3.18Å; V321-F325 HydrophobicContact CG1-CD2 4.41Å; V321-F325 HydrophobicContact CG1-CE2 3.82Å; V321-F325 WeakPolarHBondContact O-CD2 3.4Å; V321-F325 PolarHBondContact O-N 3.22Å
322	I	97.4	Very high	93.8	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-60.4	-42.8	174.5	-63.9	167.1	0	0	0	110	F246 I254 I301 W305 L318 Q319 M324 F325 I326	F246-I322 HydrophobicContact CE1-CB 4.21Å; F246-I322 HydrophobicContact CE1-CD1 4.18Å; F246-I322 HydrophobicContact CE1-CG2 3.83Å; F246-I322 HydrophobicContact CE2-CG2 4.27Å; F246-I322 HydrophobicContact CZ-CB 3.84Å; F246-I322 HydrophobicContact CZ-CG2 3.58Å; I254-I322 HydrophobicContact CD1-CG1 4.14Å; I254-I322 HydrophobicContact CD1-CG2 4.45Å; I301-I322 HydrophobicContact CG2-CD1 4.38Å; I301-I322 HydrophobicContact CG2-CG1 4.22Å; W305-I322 HydrophobicContact CB-CD1 3.51Å; W305-I322 HydrophobicContact CG-CD1 3.86Å; L318-I322 HydrophobicContact CG-CD1 4.25Å; L318-I322 WeakPolarHBondContact O-CG1 3.17Å; L318-I322 PolarHBondContact O-N 3.38Å; Q319-I322 PolarHBondContact O-N 3.48Å; I322-M324 VanDerWaalsContact C-N 3.32Å; I322-M324 PolarHBondContact O-N 2.87Å; I322-F325 PolarHBondContact O-N 3.07Å; I322-F325 VanDerWaalsContact O-N 3.15Å; I322-I326 HydrophobicContact CG2-CD1 3.91Å; I322-I326 HydrophobicContact CG2-CG1 4.32Å; I322-I326 WeakPolarHBondContact O-CG1 3.48Å; I322-I326 PolarHBondContact O-N 3.23Å
323	G	96.9	Very high	93.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-56	-41.4	175.5	0	0	0	0	0	113.1	Q319 S320 V321 F325 I326 V327 F438	Q319-G323 PolarHBondContact O-N 3.01Å; S320-G323 PolarHBondContact O-N 2.94Å; V321-G323 VanDerWaalsContact C-N 3.27Å; V321-G323 PolarHBondContact O-N 3.32Å; G323-F325 VanDerWaalsContact C-N 3.32Å; G323-F325 PolarHBondContact O-N 3.45Å; G323-I326 PolarHBondContact O-N 3.42Å; G323-V327 WeakPolarHBondContact O-CB 3.38Å; G323-V327 WeakPolarHBondContact O-CG2 3.27Å; G323-V327 PolarHBondContact O-N 3.47Å; G323-F438 VanDerWaalsContact CA-CZ 3.43Å
324	M	97.1	Very high	93.2	Very high	20 Å²	20	24.8 Å²	24.8	10%	0.099	14%	0.141	C	C	.	.	H	α-helix	trans	-59	-43.4	176.4	-72.7	-169.1	-74.7	0	0	111.7	F176 I179 S180 S320 V321 I322 A328 F412	F176-M324 HydrophobicContact CB-CG 4.02Å; F176-M324 HydrophobicContact CB-SD 4.12Å; F176-M324 HydrophobicContact CD1-CE 3.83Å; F176-M324 HydrophobicContact CD1-CG 4.34Å; F176-M324 HydrophobicContact CD1-SD 3.65Å; F176-M324 HydrophobicContact CE1-CE 4.23Å; F176-M324 HydrophobicContact CG-SD 4.33Å; F176-M324 WeakPolarHBondContact O-CG 3.21Å; I179-M324 HydrophobicContact CB-SD 3.86Å; I179-M324 HydrophobicContact CD1-SD 4.42Å; I179-M324 HydrophobicContact CG2-SD 3.65Å; S180-M324 WeakPolarHBondContact CB-O 3.3Å; S320-M324 WeakPolarHBondContact O-CG 3.42Å; S320-M324 PolarHBondContact O-N 3.39Å; V321-M324 HydrophobicContact CB-CE 4.21Å; V321-M324 HydrophobicContact CG1-CE 4.4Å; V321-M324 HydrophobicContact CG2-CE 3.92Å; V321-M324 WeakPolarHBondContact O-CB 3.42Å; V321-M324 PolarHBondContact O-N 3.18Å; I322-M324 VanDerWaalsContact C-N 3.32Å; I322-M324 PolarHBondContact O-N 2.87Å; M324-A328 WeakPolarHBondContact O-CB 3.46Å; M324-A328 PolarHBondContact O-N 2.94Å; M324-F412 HydrophobicContact CG-CE1 3.9Å
325	F	97.5	Very high	92.3	Very high	43 Å²	43	24.5 Å²	24.5	19%	0.189	14%	0.14	C	C	.	.	H	α-helix	trans	-69.4	-39.9	177.1	-64.2	-64.8	0	0	0	112.3	L183 I254 F257 V321 I322 G323 A328 V329	L183-F325 HydrophobicContact CD1-CD1 4.42Å; L183-F325 HydrophobicContact CD1-CE1 4.21Å; I254-F325 HydrophobicContact CD1-CD2 4.5Å; I254-F325 HydrophobicContact CG1-CB 4.09Å; I254-F325 HydrophobicContact CG1-CD2 3.77Å; I254-F325 HydrophobicContact CG1-CE2 4.5Å; I254-F325 HydrophobicContact CG1-CG 4.07Å; F257-F325 HydrophobicContact CB-CD1 4.03Å; F257-F325 AromaticContact CD1-CD1 3.74Å; F257-F325 HydrophobicContact CD1-CD1 3.74Å; F257-F325 AromaticContact CD1-CE1 3.39Å; F257-F325 HydrophobicContact CD1-CE1 3.39Å; F257-F325 HydrophobicContact CD1-CZ 4.41Å; F257-F325 HydrophobicContact CD2-CD1 4.24Å; F257-F325 HydrophobicContact CD2-CE1 4.42Å; F257-F325 HydrophobicContact CE1-CD1 4.29Å; F257-F325 AromaticContact CE1-CE1 3.59Å; F257-F325 HydrophobicContact CE1-CE1 3.59Å; F257-F325 AromaticContact CG-CD1 3.71Å; F257-F325 HydrophobicContact CG-CD1 3.71Å; F257-F325 AromaticContact CG-CE1 3.86Å; F257-F325 HydrophobicContact CG-CE1 3.86Å; F257-F325 HydrophobicContact CZ-CE1 4.22Å; V321-F325 HydrophobicContact CG1-CD2 4.41Å; V321-F325 HydrophobicContact CG1-CE2 3.82Å; V321-F325 WeakPolarHBondContact O-CD2 3.4Å; V321-F325 PolarHBondContact O-N 3.22Å; I322-F325 PolarHBondContact O-N 3.07Å; I322-F325 VanDerWaalsContact O-N 3.15Å; G323-F325 VanDerWaalsContact C-N 3.32Å; G323-F325 PolarHBondContact O-N 3.45Å; F325-A328 PolarHBondContact O-N 2.78Å; F325-V329 WeakPolarHBondContact O-CB 3.07Å; F325-V329 WeakPolarHBondContact O-CG2 3.23Å; F325-V329 PolarHBondContact O-N 2.89Å
326	I	97.2	Very high	91.5	Very high	9 Å²	9	25.6 Å²	25.6	5%	0.046	15%	0.146	C	C	.	.	H	α-helix	trans	-58.5	-52.8	174.6	-68.8	174.1	0	0	0	109.9	F246 V249 I322 G323 V329 I330	F246-I326 HydrophobicContact CD2-CD1 3.75Å; F246-I326 HydrophobicContact CE2-CD1 3.55Å; F246-I326 HydrophobicContact CZ-CD1 4.26Å; V249-I326 HydrophobicContact CG1-CD1 4.38Å; V249-I326 HydrophobicContact CG1-CG1 4.26Å; V249-I326 HydrophobicContact CG1-CG2 4.12Å; I322-I326 HydrophobicContact CG2-CD1 3.91Å; I322-I326 HydrophobicContact CG2-CG1 4.32Å; I322-I326 WeakPolarHBondContact O-CG1 3.48Å; I322-I326 PolarHBondContact O-N 3.23Å; G323-I326 PolarHBondContact O-N 3.42Å; I326-V329 PolarHBondContact O-N 3.32Å; I326-I330 HydrophobicContact CG2-CD1 3.51Å; I326-I330 HydrophobicContact CG2-CG1 4.27Å; I326-I330 WeakPolarHBondContact O-CB 3.22Å; I326-I330 WeakPolarHBondContact O-CG1 3.18Å; I326-I330 PolarHBondContact O-N 2.97Å
327	V	97.1	Very high	91	Very high	1 Å²	1	25 Å²	25	1%	0.006	14%	0.144	C	C	.	.	H	α-helix	trans	-60.9	-49.1	-180	174	0	0	0	0	110.2	S180 G323 V329 I330 I331 F412 F438 A441 V442	S180-V327 VanDerWaalsContact OG-CG1 3.29Å; S180-V327 WeakPolarHBondContact OG-CG1 3.45Å; G323-V327 WeakPolarHBondContact O-CB 3.38Å; G323-V327 WeakPolarHBondContact O-CG2 3.27Å; G323-V327 PolarHBondContact O-N 3.47Å; V327-V329 VanDerWaalsContact C-N 3.34Å; V327-V329 PolarHBondContact O-N 2.85Å; V327-I330 PolarHBondContact O-N 2.87Å; V327-I331 HydrophobicContact CG1-CD1 4.41Å; V327-I331 HydrophobicContact CG1-CG2 4.29Å; V327-I331 VanDerWaalsContact O-CG1 3.28Å; V327-I331 WeakPolarHBondContact O-CG1 3.32Å; V327-I331 WeakPolarHBondContact O-CG2 3.3Å; V327-I331 PolarHBondContact O-N 3.42Å; V327-F412 HydrophobicContact CG2-CZ 4.03Å; V327-F438 HydrophobicContact CG2-CB 4.06Å; V327-F438 HydrophobicContact CG2-CD1 4.11Å; V327-F438 HydrophobicContact CG2-CG 4.09Å; V327-A441 HydrophobicContact CG1-CB 4.1Å; V327-V442 HydrophobicContact CB-CG2 4.34Å; V327-V442 HydrophobicContact CG1-CG2 3.93Å; V327-V442 HydrophobicContact CG2-CG2 3.96Å
328	A	97.1	Very high	90.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-55.5	-44.9	178.7	0	0	0	0	0	112.9	S180 L183 M324 F325 I331 S332	S180-A328 WeakPolarHBondContact O-CA 3.4Å; S180-A328 WeakPolarHBondContact O-CB 3.33Å; L183-A328 HydrophobicContact CB-CB 3.81Å; M324-A328 WeakPolarHBondContact O-CB 3.46Å; M324-A328 PolarHBondContact O-N 2.94Å; F325-A328 PolarHBondContact O-N 2.78Å; A328-I331 VanDerWaalsContact O-CG1 3.3Å; A328-I331 WeakPolarHBondContact O-CG1 3.17Å; A328-S332 WeakPolarHBondContact O-CB 3.05Å; A328-S332 PolarHBondContact O-N 3.39Å; A328-S332 PolarHBondContact O-OG 3.39Å
329	V	95.1	Very high	90.1	Very high	8 Å²	8	22.1 Å²	22.1	5%	0.048	13%	0.128	C	C	.	.	H	α-helix	trans	-74	-36.7	179.7	170.7	0	0	0	0	111.9	K256 F325 I326 V327 S332 S333	K256-V329 HydrophobicContact CB-CG1 4.39Å; K256-V329 HydrophobicContact CB-CG2 4.26Å; K256-V329 HydrophobicContact CD-CG1 3.61Å; F325-V329 WeakPolarHBondContact O-CB 3.07Å; F325-V329 WeakPolarHBondContact O-CG2 3.23Å; F325-V329 PolarHBondContact O-N 2.89Å; I326-V329 PolarHBondContact O-N 3.32Å; V327-V329 VanDerWaalsContact C-N 3.34Å; V327-V329 PolarHBondContact O-N 2.85Å; V329-S332 PolarHBondContact O-OG 2.78Å; V329-S333 WeakPolarHBondContact O-CB 3.28Å; V329-S333 PolarHBondContact O-N 2.92Å; V329-S333 PolarHBondContact O-OG 3.23Å
330	I	94.1	Very high	89.9	Confident	70 Å²	70	21.7 Å²	21.7	36%	0.359	13%	0.126	S	C	.	.	H	α-helix	trans	-62.2	-51.9	175.9	-74.8	173.2	0	0	0	109.6	I326 V327 S332 S333 A334 V442	I326-I330 HydrophobicContact CG2-CD1 3.51Å; I326-I330 HydrophobicContact CG2-CG1 4.27Å; I326-I330 WeakPolarHBondContact O-CB 3.22Å; I326-I330 WeakPolarHBondContact O-CG1 3.18Å; I326-I330 PolarHBondContact O-N 2.97Å; V327-I330 PolarHBondContact O-N 2.87Å; I330-S332 VanDerWaalsContact C-N 3.3Å; I330-S332 PolarHBondContact O-N 3.15Å; I330-S333 PolarHBondContact O-N 3.19Å; I330-A334 WeakPolarHBondContact O-CA 3.31Å; I330-A334 WeakPolarHBondContact O-CB 3.34Å; I330-A334 PolarHBondContact O-N 3.41Å; I330-V442 HydrophobicContact CG2-CG1 3.9Å; I330-V442 HydrophobicContact CG2-CG2 4.36Å
331	I	94.5	Very high	89.7	Confident	5 Å²	5	25.8 Å²	25.8	3%	0.026	14%	0.144	C	C	.	.	H	α-helix	trans	-68.3	-29.6	-178.1	68.5	-170.3	0	0	0	112.2	I181 V327 A328 V442 I446 Q449	I181-I331 HydrophobicContact CG1-CD1 4.3Å; V327-I331 HydrophobicContact CG1-CD1 4.41Å; V327-I331 HydrophobicContact CG1-CG2 4.29Å; V327-I331 VanDerWaalsContact O-CG1 3.28Å; V327-I331 WeakPolarHBondContact O-CG1 3.32Å; V327-I331 WeakPolarHBondContact O-CG2 3.3Å; V327-I331 PolarHBondContact O-N 3.42Å; A328-I331 VanDerWaalsContact O-CG1 3.3Å; A328-I331 WeakPolarHBondContact O-CG1 3.17Å; I331-V442 HydrophobicContact CG2-CB 4.49Å; I331-V442 HydrophobicContact CG2-CG1 4.34Å; I331-I446 HydrophobicContact CB-CG1 4.36Å; I331-I446 HydrophobicContact CG2-CG1 4.02Å; I331-Q449 HydrophobicContact CB-CG 3.76Å; I331-Q449 HydrophobicContact CD1-CG 3.97Å; I331-Q449 HydrophobicContact CG1-CG 3.65Å
332	S	92.2	Very high	89.3	Confident	10 Å²	10	23.7 Å²	23.7	7%	0.07	13%	0.131	C	C	.	.	H	α-helix	trans	-82.3	-24.9	177.6	78.9	0	0	0	0	114.3	A328 V329 I330	A328-S332 WeakPolarHBondContact O-CB 3.05Å; A328-S332 PolarHBondContact O-N 3.39Å; A328-S332 PolarHBondContact O-OG 3.39Å; V329-S332 PolarHBondContact O-OG 2.78Å; I330-S332 VanDerWaalsContact C-N 3.3Å; I330-S332 PolarHBondContact O-N 3.15Å
333	S	84.2	Confident	89.1	Confident	72 Å²	72	23.7 Å²	23.7	50%	0.503	13%	0.131	S	C	.	.	H	α-helix	trans	-102.3	-11.4	-179.5	-50.3	0	0	0	0	112.9	V329 I330	V329-S333 WeakPolarHBondContact O-CB 3.28Å; V329-S333 PolarHBondContact O-N 2.92Å; V329-S333 PolarHBondContact O-OG 3.23Å; I330-S333 PolarHBondContact O-N 3.19Å
334	A	72.1	Confident	88.9	Confident	30 Å²	30	24.8 Å²	24.8	25%	0.248	14%	0.138	C	C	.	.	S	Bend	trans	-57.8	150.7	175	0	0	0	0	0	109.9	I330 I336 I446	I330-A334 WeakPolarHBondContact O-CA 3.31Å; I330-A334 WeakPolarHBondContact O-CB 3.34Å; I330-A334 PolarHBondContact O-N 3.41Å; A334-I336 PolarHBondContact O-N 3.44Å; A334-I446 HydrophobicContact CB-CD1 4.46Å; A334-I446 HydrophobicContact CB-CG1 4.3Å
335	L	69.1	Low	88.7	Confident	77 Å²	77	27 Å²	27	40%	0.403	15%	0.15	S	C	.	.			trans	-59.3	112.7	174.7	-173.2	64.2	0	0	0	107.9	F209 L213 Y216 I337	F209-L335 HydrophobicContact CZ-CD1 4.24Å; F209-L335 HydrophobicContact CZ-CD2 4.3Å; L213-L335 HydrophobicContact CD2-CD2 3.37Å; L213-L335 HydrophobicContact CD2-CG 4.11Å; Y216-L335 HydrophobicContact CD2-CD2 4.07Å; Y216-L335 HydrophobicContact CE2-CD2 4.17Å; L335-I337 PolarHBondContact O-N 3.33Å; L335-I337 VanDerWaalsContact O-N 3.09Å
336	I	75.5	Confident	88.5	Confident	23 Å²	23	25.6 Å²	25.6	12%	0.118	14%	0.144	C	C	.	.			trans	-52.3	121.4	-179.1	-63.3	173.3	0	0	0	107.7	L195 A334 F450 F453	L195-I336 HydrophobicContact CB-CD1 3.94Å; L195-I336 HydrophobicContact CD1-CD1 4.29Å; L195-I336 HydrophobicContact CD2-CD1 4.18Å; L195-I336 HydrophobicContact CG-CD1 4.36Å; A334-I336 PolarHBondContact O-N 3.44Å; I336-F450 HydrophobicContact CG2-CD2 4.24Å; I336-F453 HydrophobicContact CD1-CD1 3.93Å; I336-F453 HydrophobicContact CD1-CD2 3.88Å; I336-F453 HydrophobicContact CD1-CE1 3.83Å; I336-F453 HydrophobicContact CD1-CE2 3.83Å; I336-F453 HydrophobicContact CD1-CG 3.92Å; I336-F453 HydrophobicContact CD1-CZ 3.8Å; I336-F453 HydrophobicContact CG2-CD1 3.51Å; I336-F453 HydrophobicContact CG2-CE1 3.82Å; I336-F453 HydrophobicContact CG2-CG 4.23Å
337	I	81.5	Confident	88.4	Confident	11 Å²	11	25.5 Å²	25.5	6%	0.056	14%	0.144	C	C	.	.			trans	-58.2	128.8	176.2	-60.7	-178.1	0	0	0	106.8	L335 S339 V342 L346 I446 F450	L335-I337 PolarHBondContact O-N 3.33Å; L335-I337 VanDerWaalsContact O-N 3.09Å; I337-S339 VanDerWaalsContact C-N 3.26Å; I337-S339 WeakPolarHBondContact CG2-O 3.33Å; I337-S339 PolarHBondContact O-N 2.92Å; I337-V342 HydrophobicContact CG2-CB 3.61Å; I337-V342 HydrophobicContact CG2-CG1 3.8Å; I337-L346 HydrophobicContact CD1-CD2 3.89Å; I337-I446 HydrophobicContact CD1-CG2 3.56Å; I337-I446 HydrophobicContact CG1-CG2 3.78Å; I337-F450 HydrophobicContact CB-CB 4.28Å; I337-F450 HydrophobicContact CB-CG 4.38Å; I337-F450 WeakPolarHBondContact O-CD2 3.4Å; I337-F450 WeakPolarHBondContact O-CE2 3.33Å
338	P	77.9	Confident	88.3	Confident	13 Å²	13	28.7 Å²	28.7	8%	0.084	16%	0.163	C	C	.	.	S	Bend	trans	-74.9	-17.8	-172.2	34.9	-43.9	0	0	0	113.1	Y199 L213 V342 G524	Y199-P338 HydrophobicContact CE2-CB 4.19Å; Y199-P338 WeakPolarHBondContact OH-CB 3.3Å; L213-P338 HydrophobicContact CD1-CB 4.12Å; L213-P338 VanDerWaalsContact CD1-CD 3.47Å; L213-P338 HydrophobicContact CD1-CG 3.34Å; P338-V342 HydrophobicContact CG-CB 4.21Å; P338-V342 HydrophobicContact CG-CG2 3.73Å; P338-G524 WeakPolarHBondContact O-CA 3.48Å
339	S	87.3	Confident	88.1	Confident	10 Å²	10	30.5 Å²	30.5	7%	0.07	17%	0.174	C	C	.	.	S	Bend	trans	-164.1	157.4	-170.1	62.1	0	0	0	0	111.3	I337 K341 V342 G343	I337-S339 VanDerWaalsContact C-N 3.26Å; I337-S339 WeakPolarHBondContact CG2-O 3.33Å; I337-S339 PolarHBondContact O-N 2.92Å; S339-K341 PolarHBondContact O-N 2.73Å; S339-V342 PolarHBondContact O-N 3.38Å; S339-V342 VanDerWaalsContact O-N 3.16Å; S339-V342 PolarHBondContact OG-N 3.12Å; S339-G343 PolarHBondContact O-N 2.76Å
340	V	91.9	Very high	88.1	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.3	-32.5	173	174.9	0	0	0	0	111.7	V342 G343 T344 F447 F450 L502 W518 L521 W522	V340-V342 VanDerWaalsContact C-N 3.33Å; V340-V342 PolarHBondContact O-N 3.47Å; V340-G343 CarbonylContact O-C 3.56Å; V340-G343 WeakPolarHBondContact O-CA 3.29Å; V340-G343 PolarHBondContact O-N 2.95Å; V340-G343 VanDerWaalsContact O-N 3.07Å; V340-T344 HydrophobicContact CG1-CG2 3.99Å; V340-T344 WeakPolarHBondContact O-CG2 3.36Å; V340-T344 PolarHBondContact O-N 3.43Å; V340-T344 PolarHBondContact O-OG1 3.2Å; V340-F447 HydrophobicContact CB-CE2 4.47Å; V340-F447 HydrophobicContact CG1-CE2 4.1Å; V340-F447 HydrophobicContact CG1-CZ 4.24Å; V340-F447 HydrophobicContact CG2-CE2 4.28Å; V340-F447 HydrophobicContact CG2-CZ 4.41Å; V340-F450 HydrophobicContact CG2-CE1 3.67Å; V340-F450 HydrophobicContact CG2-CZ 4.4Å; V340-L502 HydrophobicContact CG1-CD1 4.03Å; V340-W518 HydrophobicContact CG1-CH2 3.57Å; V340-W518 HydrophobicContact CG1-CZ2 4.05Å; V340-W518 HydrophobicContact CG1-CZ3 4.13Å; V340-L521 HydrophobicContact CG2-CB 3.82Å; V340-L521 HydrophobicContact CG2-CD2 4.25Å; V340-L521 PolarHBondContact N-O 3.06Å; V340-W522 HydrophobicContact CB-CE3 4.21Å; V340-W522 HydrophobicContact CG1-CE3 3.9Å; V340-W522 HydrophobicContact CG1-CZ3 4.15Å
341	K	91.3	Very high	88.1	Confident	85 Å²	85	29.5 Å²	29.5	37%	0.37	17%	0.168	S	C	.	.	H	α-helix	trans	-53.4	-47.4	175.1	-73.5	170.8	-174.7	174.5	0	113.2	S339 G343 T344 L345 W522	S339-K341 PolarHBondContact O-N 2.73Å; K341-G343 VanDerWaalsContact C-N 3.31Å; K341-T344 WeakPolarHBondContact CA-OG1 3.27Å; K341-T344 PolarHBondContact O-N 3.18Å; K341-T344 PolarHBondContact O-OG1 2.91Å; K341-L345 PolarHBondContact O-N 3.22Å; K341-W522 HydrophobicContact CD-CD2 4.44Å; K341-W522 HydrophobicContact CD-CG 4.41Å; K341-W522 WeakPolarHBondContact CD-O 3.29Å; K341-W522 WeakPolarHBondContact CE-O 3.25Å; K341-W522 HydrophobicContact CG-CD2 3.53Å; K341-W522 HydrophobicContact CG-CE3 4.06Å; K341-W522 HydrophobicContact CG-CG 3.91Å; K341-W522 HydrophobicContact CG-CH2 4.19Å; K341-W522 HydrophobicContact CG-CZ2 3.72Å; K341-W522 HydrophobicContact CG-CZ3 4.36Å; K341-W522 WeakPolarHBondContact CG-O 3.48Å
342	V	89.4	Confident	88	Confident	10 Å²	10	34 Å²	34	6%	0.061	19%	0.191	C	C	.	.	H	α-helix	trans	-70.4	-35.8	-179.2	178.2	0	0	0	0	109.5	Y214 I217 I337 P338 S339 V340 L345 L346	Y214-V342 HydrophobicContact CE1-CG2 4.23Å; I217-V342 HydrophobicContact CD1-CG1 3.63Å; I337-V342 HydrophobicContact CG2-CB 3.61Å; I337-V342 HydrophobicContact CG2-CG1 3.8Å; P338-V342 HydrophobicContact CG-CB 4.21Å; P338-V342 HydrophobicContact CG-CG2 3.73Å; S339-V342 PolarHBondContact O-N 3.38Å; S339-V342 VanDerWaalsContact O-N 3.16Å; S339-V342 PolarHBondContact OG-N 3.12Å; V340-V342 VanDerWaalsContact C-N 3.33Å; V340-V342 PolarHBondContact O-N 3.47Å; V342-L345 PolarHBondContact O-N 2.91Å; V342-L346 WeakPolarHBondContact O-CB 3.28Å; V342-L346 PolarHBondContact O-N 3.15Å
343	G	91.9	Very high	88.1	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.6	-44	171.4	0	0	0	0	0	113.5	S339 V340 K341 L345 L346 F347	S339-G343 PolarHBondContact O-N 2.76Å; V340-G343 CarbonylContact O-C 3.56Å; V340-G343 WeakPolarHBondContact O-CA 3.29Å; V340-G343 PolarHBondContact O-N 2.95Å; V340-G343 VanDerWaalsContact O-N 3.07Å; K341-G343 VanDerWaalsContact C-N 3.31Å; G343-L345 VanDerWaalsContact C-N 3.32Å; G343-L345 PolarHBondContact O-N 3.12Å; G343-L346 WeakPolarHBondContact O-CB 3.41Å; G343-L346 PolarHBondContact O-N 2.99Å; G343-F347 WeakPolarHBondContact O-CB 3.49Å; G343-F347 PolarHBondContact O-N 2.78Å
344	T	93.7	Very high	88.4	Confident	23 Å²	23	32.2 Å²	32.2	14%	0.141	17%	0.172	C	C	.	.	H	α-helix	trans	-63.9	-38.7	176.2	56.6	0	0	0	0	112	V340 K341 F347 T348 L502 W522	V340-T344 HydrophobicContact CG1-CG2 3.99Å; V340-T344 WeakPolarHBondContact O-CG2 3.36Å; V340-T344 PolarHBondContact O-N 3.43Å; V340-T344 PolarHBondContact O-OG1 3.2Å; K341-T344 WeakPolarHBondContact CA-OG1 3.27Å; K341-T344 PolarHBondContact O-N 3.18Å; K341-T344 PolarHBondContact O-OG1 2.91Å; T344-F347 PolarHBondContact O-N 3.25Å; T344-T348 WeakPolarHBondContact O-CB 3.37Å; T344-T348 PolarHBondContact O-N 3.28Å; T344-T348 PolarHBondContact O-OG1 2.86Å; T344-L502 HydrophobicContact CG2-CD1 3.53Å; T344-L502 HydrophobicContact CG2-CD2 3.47Å; T344-L502 VanDerWaalsContact CG2-CD2 3.47Å; T344-L502 HydrophobicContact CG2-CG 4.14Å; T344-W522 HydrophobicContact CG2-CH2 4.36Å; T344-W522 HydrophobicContact CG2-CZ3 3.8Å
345	L	93.1	Very high	89.4	Confident	67 Å²	67	33 Å²	33	35%	0.351	17%	0.172	S	C	.	.	H	α-helix	trans	-66.1	-45.3	176.2	-178.2	69.6	0	0	0	111.2	Y214 I217 K341 V342 G343 F347 T348 V349	Y214-L345 HydrophobicContact CD1-CD2 3.33Å; Y214-L345 HydrophobicContact CE1-CD2 3.61Å; I217-L345 HydrophobicContact CD1-CD2 4.19Å; K341-L345 PolarHBondContact O-N 3.22Å; V342-L345 PolarHBondContact O-N 2.91Å; G343-L345 VanDerWaalsContact C-N 3.32Å; G343-L345 PolarHBondContact O-N 3.12Å; L345-F347 VanDerWaalsContact C-N 3.33Å; L345-F347 PolarHBondContact O-N 2.86Å; L345-T348 PolarHBondContact O-N 3.27Å; L345-V349 HydrophobicContact CD1-CG2 4.16Å; L345-V349 HydrophobicContact CG-CG2 4.37Å; L345-V349 WeakPolarHBondContact O-CB 3.3Å; L345-V349 VanDerWaalsContact O-CG2 3.3Å; L345-V349 WeakPolarHBondContact O-CG2 3.13Å; L345-V349 PolarHBondContact O-N 3.01Å
346	L	92.5	Very high	90.4	Very high	14 Å²	14	33.4 Å²	33.4	7%	0.073	17%	0.17	C	C	.	.	H	α-helix	trans	-54.9	-50.5	175.3	179.4	72.8	0	0	0	110.5	I217 I337 V342 G343 V349 F350	I217-L346 HydrophobicContact CD1-CB 4.29Å; I217-L346 HydrophobicContact CG1-CD1 4.24Å; I217-L346 HydrophobicContact CG2-CD1 4.21Å; I337-L346 HydrophobicContact CD1-CD2 3.89Å; V342-L346 WeakPolarHBondContact O-CB 3.28Å; V342-L346 PolarHBondContact O-N 3.15Å; G343-L346 WeakPolarHBondContact O-CB 3.41Å; G343-L346 PolarHBondContact O-N 2.99Å; L346-V349 PolarHBondContact O-N 2.82Å; L346-F350 HydrophobicContact CD1-CD2 3.56Å; L346-F350 HydrophobicContact CD1-CE2 3.48Å; L346-F350 VanDerWaalsContact CD1-CE2 3.48Å; L346-F350 HydrophobicContact CG-CD2 4.19Å; L346-F350 WeakPolarHBondContact O-CD2 3.32Å; L346-F350 PolarHBondContact O-N 2.69Å
347	F	94.9	Very high	91.1	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.026	17%	0.167	C	C	.	.	H	α-helix	trans	-59.1	-48.7	178.2	-80.8	8	0	0	0	112.6	G343 T344 L345 V349 F350 M351 I443 F447 C498 T501 L502	G343-F347 WeakPolarHBondContact O-CB 3.49Å; G343-F347 PolarHBondContact O-N 2.78Å; T344-F347 PolarHBondContact O-N 3.25Å; L345-F347 VanDerWaalsContact C-N 3.33Å; L345-F347 PolarHBondContact O-N 2.86Å; F347-V349 PolarHBondContact O-N 3.45Å; F347-F350 PolarHBondContact O-N 3.05Å; F347-M351 WeakPolarHBondContact O-CB 3.32Å; F347-M351 PolarHBondContact O-N 2.89Å; F347-I443 HydrophobicContact CD1-CG2 3.95Å; F347-I443 HydrophobicContact CE1-CG2 4.1Å; F347-I443 WeakPolarHBondContact CE1-O 3.26Å; F347-F447 HydrophobicContact CE1-CB 3.61Å; F347-F447 HydrophobicContact CE1-CG 4.21Å; F347-F447 HydrophobicContact CE2-CB 4.23Å; F347-F447 AromaticContact CE2-CD1 3.96Å; F347-F447 HydrophobicContact CE2-CD1 3.96Å; F347-F447 HydrophobicContact CE2-CE1 4.48Å; F347-F447 AromaticContact CE2-CG 3.99Å; F347-F447 HydrophobicContact CE2-CG 3.99Å; F347-F447 HydrophobicContact CZ-CB 3.32Å; F347-F447 AromaticContact CZ-CD1 3.79Å; F347-F447 HydrophobicContact CZ-CD1 3.79Å; F347-F447 HydrophobicContact CZ-CD2 4.37Å; F347-F447 AromaticContact CZ-CG 3.57Å; F347-F447 HydrophobicContact CZ-CG 3.57Å; F347-C498 HydrophobicContact CB-CB 3.93Å; F347-C498 HydrophobicContact CD2-CB 3.86Å; F347-C498 WeakPolarHBondContact CD2-O 3.39Å; F347-C498 HydrophobicContact CE2-CB 4.48Å; F347-C498 HydrophobicContact CG-CB 3.86Å; F347-T501 HydrophobicContact CE2-CG2 4.12Å; F347-T501 HydrophobicContact CZ-CG2 4.14Å; F347-L502 HydrophobicContact CD2-CB 4.24Å; F347-L502 HydrophobicContact CE2-CB 4.35Å
348	T	94.5	Very high	91.4	Very high	68 Å²	68	32.5 Å²	32.5	42%	0.417	17%	0.166	S	C	.	.	H	α-helix	trans	-61.6	-45.1	-179.7	-60.5	0	0	0	0	111.8	T344 L345 M351 I352	T344-T348 WeakPolarHBondContact O-CB 3.37Å; T344-T348 PolarHBondContact O-N 3.28Å; T344-T348 PolarHBondContact O-OG1 2.86Å; L345-T348 PolarHBondContact O-N 3.27Å; T348-M351 PolarHBondContact O-N 3.03Å; T348-I352 HydrophobicContact CG2-CD1 4.11Å; T348-I352 VanDerWaalsContact O-CG1 3.32Å; T348-I352 WeakPolarHBondContact O-CG1 3.34Å; T348-I352 PolarHBondContact O-N 2.92Å; T348-I352 VanDerWaalsContact O-N 3.07Å
349	V	93.9	Very high	91.8	Very high	38 Å²	38	35.9 Å²	35.9	23%	0.23	18%	0.179	C	C	.	.	H	α-helix	trans	-65.5	-46	-178.7	170.3	0	0	0	0	111.3	L221 L345 L346 F347 I352 Y353	L221-V349 HydrophobicContact CB-CG1 4.37Å; L221-V349 HydrophobicContact CD1-CG1 3.48Å; L221-V349 VanDerWaalsContact CD1-CG1 3.48Å; L221-V349 HydrophobicContact CD2-CG1 3.84Å; L221-V349 HydrophobicContact CG-CG1 4.07Å; L345-V349 HydrophobicContact CD1-CG2 4.16Å; L345-V349 HydrophobicContact CG-CG2 4.37Å; L345-V349 WeakPolarHBondContact O-CB 3.3Å; L345-V349 VanDerWaalsContact O-CG2 3.3Å; L345-V349 WeakPolarHBondContact O-CG2 3.13Å; L345-V349 PolarHBondContact O-N 3.01Å; L346-V349 PolarHBondContact O-N 2.82Å; F347-V349 PolarHBondContact O-N 3.45Å; V349-I352 PolarHBondContact O-N 3.37Å; V349-Y353 PolarHBondContact O-N 3.27Å
350	F	93.8	Very high	91.8	Very high	9 Å²	9	38.5 Å²	38.5	4%	0.039	19%	0.192	C	C	.	.	H	α-helix	trans	-73.1	-28.7	179.2	-85.6	-86.4	0	0	0	113.3	L346 F347 Y353 D354 I443 L494	L346-F350 HydrophobicContact CD1-CD2 3.56Å; L346-F350 HydrophobicContact CD1-CE2 3.48Å; L346-F350 VanDerWaalsContact CD1-CE2 3.48Å; L346-F350 HydrophobicContact CG-CD2 4.19Å; L346-F350 WeakPolarHBondContact O-CD2 3.32Å; L346-F350 PolarHBondContact O-N 2.69Å; F347-F350 PolarHBondContact O-N 3.05Å; F350-Y353 HydrophobicContact CD1-CD1 4.33Å; F350-Y353 WeakPolarHBondContact O-CB 3.48Å; F350-Y353 PolarHBondContact O-N 3.4Å; F350-D354 PolarHBondContact O-N 2.7Å; F350-I443 HydrophobicContact CB-CG2 4.23Å; F350-I443 HydrophobicContact CD1-CD1 3.9Å; F350-I443 HydrophobicContact CD1-CG1 4.13Å; F350-I443 HydrophobicContact CD2-CD1 3.96Å; F350-I443 HydrophobicContact CE1-CD1 3.94Å; F350-I443 HydrophobicContact CE2-CD1 4Å; F350-I443 HydrophobicContact CG-CD1 3.91Å; F350-I443 HydrophobicContact CG-CG1 4.2Å; F350-I443 HydrophobicContact CZ-CD1 3.99Å; F350-L494 HydrophobicContact CB-CD1 4.05Å
351	M	94.4	Very high	91.5	Very high	48 Å²	48	38.6 Å²	38.6	24%	0.236	19%	0.193	C	C	.	.	H	α-helix	trans	-63.1	-46	170.5	-179.6	-170.2	74.8	0	0	111.1	F347 T348 Y353 D354 I355 L495	F347-M351 WeakPolarHBondContact O-CB 3.32Å; F347-M351 PolarHBondContact O-N 2.89Å; T348-M351 PolarHBondContact O-N 3.03Å; M351-Y353 VanDerWaalsContact C-N 3.33Å; M351-Y353 PolarHBondContact O-N 2.82Å; M351-D354 PolarHBondContact O-N 2.77Å; M351-I355 HydrophobicContact CG-CD1 4.01Å; M351-I355 VanDerWaalsContact O-CG1 3.28Å; M351-I355 WeakPolarHBondContact O-CG1 3.47Å; M351-I355 PolarHBondContact O-N 2.91Å; M351-L495 HydrophobicContact CG-CD1 4.48Å; M351-L495 HydrophobicContact SD-CD1 4.44Å
352	I	93.9	Very high	91.1	Very high	101 Å²	101	35.8 Å²	35.8	52%	0.518	18%	0.183	S	C	.	.	H	α-helix	trans	-62.7	-42.2	176.5	-67.2	166.2	0	0	0	110.7	T348 V349 D354 I355 F356	T348-I352 HydrophobicContact CG2-CD1 4.11Å; T348-I352 VanDerWaalsContact O-CG1 3.32Å; T348-I352 WeakPolarHBondContact O-CG1 3.34Å; T348-I352 PolarHBondContact O-N 2.92Å; T348-I352 VanDerWaalsContact O-N 3.07Å; V349-I352 PolarHBondContact O-N 3.37Å; I352-D354 PolarHBondContact O-N 3.42Å; I352-I355 PolarHBondContact O-N 3.48Å; I352-F356 WeakPolarHBondContact O-CB 3.16Å; I352-F356 PolarHBondContact O-N 2.97Å
353	Y	92.6	Very high	90.8	Very high	40 Å²	40	40.4 Å²	40.4	16%	0.157	21%	0.207	C	C	.	.	H	α-helix	trans	-54.5	-48.9	174.4	162	-90	0	0	0	112	L221 V225 V349 F350 M351 F356 F357	L221-Y353 HydrophobicContact CD1-CD2 4.3Å; L221-Y353 HydrophobicContact CD1-CG 4.34Å; V225-Y353 HydrophobicContact CG2-CD2 3.7Å; V225-Y353 HydrophobicContact CG2-CE2 3.74Å; V349-Y353 PolarHBondContact O-N 3.27Å; F350-Y353 HydrophobicContact CD1-CD1 4.33Å; F350-Y353 WeakPolarHBondContact O-CB 3.48Å; F350-Y353 PolarHBondContact O-N 3.4Å; M351-Y353 VanDerWaalsContact C-N 3.33Å; M351-Y353 PolarHBondContact O-N 2.82Å; Y353-F356 PolarHBondContact O-N 3.49Å; Y353-F357 AromaticContact CD2-CD2 3.6Å; Y353-F357 HydrophobicContact CD2-CD2 3.6Å; Y353-F357 AromaticContact CD2-CE2 3.57Å; Y353-F357 HydrophobicContact CD2-CE2 3.57Å; Y353-F357 AromaticContact CE2-CD2 3.4Å; Y353-F357 HydrophobicContact CE2-CD2 3.4Å; Y353-F357 VanDerWaalsContact CE2-CD2 3.4Å; Y353-F357 AromaticContact CE2-CE2 3.35Å; Y353-F357 HydrophobicContact CE2-CE2 3.35Å; Y353-F357 HydrophobicContact CE2-CZ 4.47Å; Y353-F357 HydrophobicContact CG-CD2 4.26Å; Y353-F357 AromaticContact CZ-CD2 3.89Å; Y353-F357 WeakPolarHBondContact O-CD2 3.42Å; Y353-F357 PolarHBondContact O-N 3.13Å; Y353-F357 VanDerWaalsContact O-N 3.07Å
354	D	91.9	Very high	90.2	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-66.4	-44.7	-177.6	-162.4	29.6	0	0	0	111.5	F350 M351 I352 F356 F357 V358 P492 A493 L494	F350-D354 PolarHBondContact O-N 2.7Å; M351-D354 PolarHBondContact O-N 2.77Å; I352-D354 PolarHBondContact O-N 3.42Å; D354-F356 VanDerWaalsContact C-N 3.31Å; D354-F356 PolarHBondContact O-N 2.64Å; D354-F357 PolarHBondContact O-N 2.93Å; D354-V358 WeakPolarHBondContact O-CB 3.46Å; D354-V358 VanDerWaalsContact O-CG2 3.28Å; D354-V358 WeakPolarHBondContact O-CG2 3.42Å; D354-V358 PolarHBondContact O-N 3.38Å; D354-P492 HydrophobicContact CB-CB 4.12Å; D354-P492 VanDerWaalsContact CG-CB 3.46Å; D354-P492 WeakPolarHBondContact OD2-CA 3.06Å; D354-P492 WeakPolarHBondContact OD2-CB 3.45Å; D354-A493 PolarHBondContact OD2-N 3.29Å; D354-L494 HydrophobicContact CB-CB 4.11Å; D354-L494 HydrophobicContact CB-CD1 4.21Å; D354-L494 PolarHBondContact OD2-N 3.39Å
355	I	91.8	Very high	89.1	Confident	47 Å²	47	47.9 Å²	47.9	24%	0.241	24%	0.239	C	C	.	.	H	α-helix	trans	-57.1	-44.8	174.7	-67.3	166.1	0	0	0	111.1	M351 I352 F359 P492 L495	M351-I355 HydrophobicContact CG-CD1 4.01Å; M351-I355 VanDerWaalsContact O-CG1 3.28Å; M351-I355 WeakPolarHBondContact O-CG1 3.47Å; M351-I355 PolarHBondContact O-N 2.91Å; I352-I355 PolarHBondContact O-N 3.48Å; I355-F359 HydrophobicContact CG2-CD2 4.33Å; I355-F359 PolarHBondContact O-N 3.3Å; I355-P492 HydrophobicContact CG1-CG 4.49Å; I355-L495 HydrophobicContact CD1-CD1 3.91Å; I355-L495 HydrophobicContact CG1-CD1 4.32Å
356	F	91.8	Very high	87.5	Confident	84 Å²	84	47.6 Å²	47.6	37%	0.368	24%	0.243	S	C	.	.	I	π-helix	trans	-63	-46.8	-179.6	179.4	-87.6	0	0	0	111.9	I352 Y353 D354 I360 T361 F364	I352-F356 WeakPolarHBondContact O-CB 3.16Å; I352-F356 PolarHBondContact O-N 2.97Å; Y353-F356 PolarHBondContact O-N 3.49Å; D354-F356 VanDerWaalsContact C-N 3.31Å; D354-F356 PolarHBondContact O-N 2.64Å; F356-I360 HydrophobicContact CB-CD1 4.32Å; F356-I360 HydrophobicContact CD2-CB 4.05Å; F356-I360 HydrophobicContact CD2-CD1 3.77Å; F356-I360 HydrophobicContact CD2-CG1 4.44Å; F356-I360 HydrophobicContact CD2-CG2 4.06Å; F356-I360 HydrophobicContact CE2-CB 4.41Å; F356-I360 HydrophobicContact CE2-CG2 3.97Å; F356-I360 HydrophobicContact CG-CB 4.45Å; F356-I360 HydrophobicContact CG-CD1 4.43Å; F356-I360 WeakPolarHBondContact O-CB 3.36Å; F356-I360 PolarHBondContact O-N 2.94Å; F356-T361 PolarHBondContact O-N 3.29Å; F356-T361 PolarHBondContact O-OG1 2.96Å; F356-T361 VanDerWaalsContact O-OG1 3.1Å; F356-F364 HydrophobicContact CZ-CE2 4.38Å
357	F	89.9	Confident	85.6	Confident	8 Å²	8	51.3 Å²	51.3	4%	0.035	27%	0.267	C	S	.	.	I	π-helix	trans	-76.4	-23.4	-177.8	-79.5	-69.1	0	0	0	114.2	V225 L228 L229 Y353 D354 T361 S391 F392 M393	V225-F357 HydrophobicContact CG1-CE2 4.48Å; V225-F357 HydrophobicContact CG1-CZ 4.15Å; V225-F357 HydrophobicContact CG2-CE2 4.15Å; L228-F357 HydrophobicContact CD2-CB 4.18Å; L228-F357 HydrophobicContact CD2-CD1 3.39Å; L228-F357 HydrophobicContact CD2-CD2 3.8Å; L228-F357 HydrophobicContact CD2-CE1 3.61Å; L228-F357 HydrophobicContact CD2-CE2 4.01Å; L228-F357 HydrophobicContact CD2-CG 3.49Å; L228-F357 VanDerWaalsContact CD2-CG 3.49Å; L228-F357 HydrophobicContact CD2-CZ 3.92Å; L229-F357 HydrophobicContact CD2-CE1 4.09Å; L229-F357 HydrophobicContact CD2-CZ 4.48Å; Y353-F357 AromaticContact CD2-CD2 3.6Å; Y353-F357 HydrophobicContact CD2-CD2 3.6Å; Y353-F357 AromaticContact CD2-CE2 3.57Å; Y353-F357 HydrophobicContact CD2-CE2 3.57Å; Y353-F357 AromaticContact CE2-CD2 3.4Å; Y353-F357 HydrophobicContact CE2-CD2 3.4Å; Y353-F357 VanDerWaalsContact CE2-CD2 3.4Å; Y353-F357 AromaticContact CE2-CE2 3.35Å; Y353-F357 HydrophobicContact CE2-CE2 3.35Å; Y353-F357 HydrophobicContact CE2-CZ 4.47Å; Y353-F357 HydrophobicContact CG-CD2 4.26Å; Y353-F357 AromaticContact CZ-CD2 3.89Å; Y353-F357 WeakPolarHBondContact O-CD2 3.42Å; Y353-F357 PolarHBondContact O-N 3.13Å; Y353-F357 VanDerWaalsContact O-N 3.07Å; D354-F357 PolarHBondContact O-N 2.93Å; F357-T361 WeakPolarHBondContact CA-OG1 3.13Å; F357-T361 WeakPolarHBondContact O-CB 3.36Å; F357-S391 VanDerWaalsContact O-CB 3.31Å; F357-S391 WeakPolarHBondContact O-CB 3.43Å; F357-F392 HydrophobicContact CD1-CD2 4.5Å; F357-F392 HydrophobicContact CE1-CD2 4.37Å; F357-M393 HydrophobicContact CB-CB 4.33Å
358	V	86.3	Confident	83.6	Confident	8 Å²	8	56.4 Å²	56.4	5%	0.048	30%	0.298	C	S	.	.	I	π-helix	trans	-87	-51.9	177	178.1	0	0	0	0	112.6	D354 P362 M393 S490 P492	D354-V358 WeakPolarHBondContact O-CB 3.46Å; D354-V358 VanDerWaalsContact O-CG2 3.28Å; D354-V358 WeakPolarHBondContact O-CG2 3.42Å; D354-V358 PolarHBondContact O-N 3.38Å; V358-P362 WeakPolarHBondContact O-CD 3.32Å; V358-P362 WeakPolarHBondContact O-CG 3.4Å; V358-M393 HydrophobicContact CG2-CE 3.21Å; V358-M393 HydrophobicContact CG2-SD 4.01Å; V358-S490 WeakPolarHBondContact CG1-O 3.44Å; V358-P492 HydrophobicContact CB-CB 4.18Å; V358-P492 HydrophobicContact CB-CG 4.49Å; V358-P492 HydrophobicContact CG2-CB 3.97Å
359	F	86.7	Confident	81.5	Confident	83 Å²	83	57.4 Å²	57.4	36%	0.364	31%	0.308	S	S	.	.	I	π-helix	trans	-100.9	-36.2	-170.3	-65.6	-48.2	0	0	0	114.2	I355 P492	I355-F359 HydrophobicContact CG2-CD2 4.33Å; I355-F359 PolarHBondContact O-N 3.3Å; F359-P492 HydrophobicContact CD2-CG 4.13Å; F359-P492 VanDerWaalsContact CE2-CD 3.42Å; F359-P492 HydrophobicContact CE2-CG 3.45Å; F359-P492 VanDerWaalsContact CE2-CG 3.45Å; F359-P492 HydrophobicContact CZ-CG 3.93Å
360	I	87	Confident	79.2	Confident	66 Å²	66	60.5 Å²	60.5	34%	0.338	33%	0.327	S	S	.	.	I	π-helix	trans	-81.8	-41.2	-174.9	-56.5	-179.6	0	0	0	110.5	F356 L363 F364	F356-I360 HydrophobicContact CB-CD1 4.32Å; F356-I360 HydrophobicContact CD2-CB 4.05Å; F356-I360 HydrophobicContact CD2-CD1 3.77Å; F356-I360 HydrophobicContact CD2-CG1 4.44Å; F356-I360 HydrophobicContact CD2-CG2 4.06Å; F356-I360 HydrophobicContact CE2-CB 4.41Å; F356-I360 HydrophobicContact CE2-CG2 3.97Å; F356-I360 HydrophobicContact CG-CB 4.45Å; F356-I360 HydrophobicContact CG-CD1 4.43Å; F356-I360 WeakPolarHBondContact O-CB 3.36Å; F356-I360 PolarHBondContact O-N 2.94Å; I360-L363 VanDerWaalsContact O-CB 3.31Å; I360-L363 WeakPolarHBondContact O-CB 3.37Å; I360-L363 PolarHBondContact O-N 2.91Å; I360-L363 VanDerWaalsContact O-N 3.08Å; I360-F364 HydrophobicContact CG2-CD2 4.39Å; I360-F364 HydrophobicContact CG2-CE2 3.63Å; I360-F364 HydrophobicContact CG2-CZ 4.25Å
361	T	86.7	Confident	76.8	Confident	2 Å²	2	66.7 Å²	66.7	1%	0.012	36%	0.361	C	S	.	.	H	α-helix	trans	-55.7	-45.3	-179.2	-65.5	0	0	0	0	114.8	F356 F357 L363 F364 I365 F392	F356-T361 PolarHBondContact O-N 3.29Å; F356-T361 PolarHBondContact O-OG1 2.96Å; F356-T361 VanDerWaalsContact O-OG1 3.1Å; F357-T361 WeakPolarHBondContact CA-OG1 3.13Å; F357-T361 WeakPolarHBondContact O-CB 3.36Å; T361-L363 PolarHBondContact O-N 3.35Å; T361-L363 VanDerWaalsContact O-N 3.17Å; T361-F364 PolarHBondContact O-N 3.42Å; T361-F364 VanDerWaalsContact O-N 3.16Å; T361-I365 HydrophobicContact CG2-CD1 4.14Å; T361-I365 PolarHBondContact O-N 2.99Å; T361-F392 HydrophobicContact CG2-CB 3.68Å; T361-F392 HydrophobicContact CG2-CD1 3.62Å; T361-F392 HydrophobicContact CG2-CD2 3.26Å; T361-F392 HydrophobicContact CG2-CE1 4Å; T361-F392 HydrophobicContact CG2-CE2 3.67Å; T361-F392 HydrophobicContact CG2-CG 3.22Å; T361-F392 HydrophobicContact CG2-CZ 4.02Å
362	P	82.1	Confident	74.3	Confident	25 Å²	25	70.5 Å²	70.5	16%	0.162	39%	0.386	C	S	.	.	H	α-helix	trans	-51.1	-36.3	173.9	-25.6	29	0	0	0	114.6	V358 F364 I365 S366 H390	V358-P362 WeakPolarHBondContact O-CD 3.32Å; V358-P362 WeakPolarHBondContact O-CG 3.4Å; P362-F364 VanDerWaalsContact C-N 3.3Å; P362-F364 PolarHBondContact O-N 3.04Å; P362-I365 PolarHBondContact O-N 3.34Å; P362-S366 WeakPolarHBondContact O-CB 3.46Å; P362-S366 PolarHBondContact O-N 3.25Å; P362-S366 PolarHBondContact O-OG 3.37Å; P362-S366 VanDerWaalsContact O-OG 3.13Å; P362-H390 WeakPolarHBondContact CA-O 3.47Å; P362-H390 HydrophobicContact CB-CB 4.48Å; P362-H390 WeakPolarHBondContact CB-O 3.43Å; P362-H390 HydrophobicContact CG-CB 4.46Å; P362-H390 WeakPolarHBondContact CG-O 3.34Å
363	L	82.9	Confident	71.4	Confident	108 Å²	108	70.4 Å²	70.4	57%	0.565	39%	0.394	S	S	*	.	H	α-helix	trans	-65.9	-32.7	-176.7	-55.9	174.3	0	0	0	112.3	I360 T361 S366 T367	I360-L363 VanDerWaalsContact O-CB 3.31Å; I360-L363 WeakPolarHBondContact O-CB 3.37Å; I360-L363 PolarHBondContact O-N 2.91Å; I360-L363 VanDerWaalsContact O-N 3.08Å; T361-L363 PolarHBondContact O-N 3.35Å; T361-L363 VanDerWaalsContact O-N 3.17Å; L363-S366 PolarHBondContact O-OG 2.77Å; L363-T367 PolarHBondContact O-OG1 3.3Å
364	F	79.1	Confident	68.8	Low	133 Å²	133	76.3 Å²	76.3	58%	0.583	42%	0.423	S	S	*	.	H	α-helix	trans	-74.6	-34.7	176.1	-64.9	-64.3	0	0	0	112.2	F356 I360 T361 P362 T368	F356-F364 HydrophobicContact CZ-CE2 4.38Å; I360-F364 HydrophobicContact CG2-CD2 4.39Å; I360-F364 HydrophobicContact CG2-CE2 3.63Å; I360-F364 HydrophobicContact CG2-CZ 4.25Å; T361-F364 PolarHBondContact O-N 3.42Å; T361-F364 VanDerWaalsContact O-N 3.16Å; P362-F364 VanDerWaalsContact C-N 3.3Å; P362-F364 PolarHBondContact O-N 3.04Å; F364-T368 PolarHBondContact O-OG1 3.33Å
365	I	71.1	Confident	66	Low	46 Å²	46	82.4 Å²	82.4	24%	0.236	46%	0.463	C	S	.	.	H	α-helix	trans	-75.8	-46.8	-178.8	-56.3	170.7	0	0	0	110.4	T361 P362 T367 T368 S369 F392	T361-I365 HydrophobicContact CG2-CD1 4.14Å; T361-I365 PolarHBondContact O-N 2.99Å; P362-I365 PolarHBondContact O-N 3.34Å; I365-T367 PolarHBondContact O-N 3.12Å; I365-T368 PolarHBondContact O-N 3.18Å; I365-S369 PolarHBondContact O-OG 2.94Å; I365-F392 HydrophobicContact CD1-CD1 3.45Å; I365-F392 VanDerWaalsContact CD1-CD1 3.45Å; I365-F392 HydrophobicContact CD1-CE1 3.28Å; I365-F392 HydrophobicContact CD1-CZ 4.25Å; I365-F392 HydrophobicContact CG1-CD1 4.26Å; I365-F392 HydrophobicContact CG1-CE1 3.58Å; I365-F392 HydrophobicContact CG1-CZ 4.18Å
366	S	59.9	Low	63.2	Low	62 Å²	62	84.5 Å²	84.5	43%	0.434	48%	0.482	S	S	.	.	H	α-helix	trans	-58.6	-36.1	-177.1	58.1	0	0	0	0	112.6	P362 L363 T368 S369	P362-S366 WeakPolarHBondContact O-CB 3.46Å; P362-S366 PolarHBondContact O-N 3.25Å; P362-S366 PolarHBondContact O-OG 3.37Å; P362-S366 VanDerWaalsContact O-OG 3.13Å; L363-S366 PolarHBondContact O-OG 2.77Å; S366-T368 VanDerWaalsContact C-N 3.25Å; S366-T368 PolarHBondContact O-N 2.88Å; S366-S369 PolarHBondContact O-N 2.95Å
367	T	53.2	Low	60.5	Low	92 Å²	92	88.4 Å²	88.4	56%	0.564	50%	0.501	S	S	*	.	H	α-helix	trans	-68.7	-24	-179.8	-51.6	0	0	0	0	112.6	L363 I365 T370	L363-T367 PolarHBondContact O-OG1 3.3Å; I365-T367 PolarHBondContact O-N 3.12Å; T367-T370 PolarHBondContact O-OG1 3.3Å
368	T	51.2	Low	57.7	Low	112 Å²	112	96.6 Å²	96.6	69%	0.687	54%	0.539	S	S	*	.	H	α-helix	trans	-78.6	-25.9	177.7	-51.8	0	0	0	0	111.7	F364 I365 S366	F364-T368 PolarHBondContact O-OG1 3.33Å; I365-T368 PolarHBondContact O-N 3.18Å; S366-T368 VanDerWaalsContact C-N 3.25Å; S366-T368 PolarHBondContact O-N 2.88Å
369	S	50.7	Low	55.2	Low	89 Å²	89	102.9 Å²	102.9	62%	0.622	58%	0.577	S	S	*	*	H	α-helix	trans	-81.3	-16	-175.2	-44.7	0	0	0	0	114.4	I365 S366	I365-S369 PolarHBondContact O-OG 2.94Å; S366-S369 PolarHBondContact O-N 2.95Å
370	T	46.5	Very low	52.6	Low	104 Å²	104	107.2 Å²	107.2	64%	0.638	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	2.1	-170.2	48.6	0	0	0	0	115.3	T367	T367-T370 PolarHBondContact O-OG1 3.3Å
371	N	42.4	Very low	50	Low	139 Å²	139	112.6 Å²	112.6	74%	0.743	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	14.8	-178.7	-72.7	-5.6	0	0	0	115
372	V	42.1	Very low	47.2	Very low	128 Å²	128	117.5 Å²	117.5	78%	0.776	66%	0.657	S	S	*	*			trans	-118.1	78.2	174.7	-170.5	0	0	0	0	110
373	S	33.1	Very low	44.8	Very low	98 Å²	98	124.4 Å²	124.4	69%	0.685	68%	0.68	S	S	*	*			trans	-93.8	78.2	168.3	55.6	0	0	0	0	109.8
374	H	38.2	Very low	42.4	Very low	164 Å²	164	125.4 Å²	125.4	76%	0.759	69%	0.691	S	S	*	*			trans	-157.8	112.8	160.5	-87.6	-62.9	0	0	0	110.2
375	P	32.8	Very low	40.6	Very low	132 Å²	132	126.3 Å²	126.3	86%	0.857	69%	0.69	S	S	*	*			trans	-93.7	102.1	169.4	33.2	-22.9	0	0	0	108.6
376	S	34.1	Very low	39	Very low	91 Å²	91	132.8 Å²	132.8	64%	0.636	71%	0.712	S	S	*	*			trans	-159.8	116.8	167.5	46	0	0	0	0	111
377	E	34.3	Very low	38.2	Very low	167 Å²	167	135.2 Å²	135.2	78%	0.78	73%	0.729	S	S	*	*	S	Bend	trans	71.9	117.1	148.2	-71.7	178.7	153.2	0	0	120.7
378	H	30.7	Very low	38	Very low	179 Å²	179	136.2 Å²	136.2	83%	0.829	74%	0.735	S	S	*	*			trans	49.2	86.3	146	-61.5	-74.5	0	0	0	118.3
379	V	34.1	Very low	38.2	Very low	140 Å²	140	131.8 Å²	131.8	85%	0.848	71%	0.71	S	S	*	*			trans	-133	126.5	155.9	-177.4	0	0	0	0	110.7
380	E	31.8	Very low	39	Very low	174 Å²	174	134.4 Å²	134.4	81%	0.813	71%	0.712	S	S	*	*			trans	-56.4	154.2	-172.7	-65.1	169.4	129	0	0	115	T382	E380-T382 PolarHBondContact O-N 3.13Å; E380-T382 PolarHBondContact O-OG1 3.45Å
381	L	32.5	Very low	40.8	Very low	180 Å²	180	129.6 Å²	129.6	94%	0.942	68%	0.683	S	S	*	*			trans	-41.4	100.6	169.3	-83.6	81.7	0	0	0	112.8
382	T	28.5	Very low	42.8	Very low	104 Å²	104	124.7 Å²	124.7	64%	0.638	66%	0.655	S	S	*	*			trans	-135.7	82.1	157.4	18.7	0	0	0	0	109.7	E380 T384	E380-T382 PolarHBondContact O-N 3.13Å; E380-T382 PolarHBondContact O-OG1 3.45Å; T382-T384 PolarHBondContact O-N 3.15Å
383	R	32.4	Very low	44.8	Very low	170 Å²	170	121.3 Å²	121.3	64%	0.642	63%	0.631	S	S	*	*			trans	18	73.7	157.1	-164.1	176.1	163.9	104.3	-7.5	113.1	K403	R383-K403 PolarHBondContact NH2-O 3.24Å
384	T	32.6	Very low	47.3	Very low	129 Å²	129	119 Å²	119	79%	0.791	61%	0.61	S	S	*	*			trans	-68.3	139.7	-172	38.2	0	0	0	0	110.7	T382 R386	T382-T384 PolarHBondContact O-N 3.15Å; T384-R386 PolarHBondContact O-N 3.48Å
385	R	39.6	Very low	49.5	Very low	153 Å²	153	111.7 Å²	111.7	58%	0.577	58%	0.577	S	S	*	*			trans	-40.3	123.7	175.7	-157.9	-179.6	-161.7	176.6	5.5	110.4	Y232 S387	Y232-R385 PolarHBondContact OH-NH2 2.94Å; R385-S387 VanDerWaalsContact C-N 3.31Å; R385-S387 PolarHBondContact O-N 2.84Å
386	R	39	Very low	52.1	Low	182 Å²	182	106 Å²	106	69%	0.687	54%	0.54	S	S	*	.			trans	-65.6	88.8	177.1	-82.9	-177.1	-178.6	126.3	-4.1	109.5	T384 T388 S400	T384-R386 PolarHBondContact O-N 3.48Å; R386-T388 VanDerWaalsContact C-N 3.31Å; R386-T388 PolarHBondContact O-N 3.36Å; R386-S400 WeakPolarHBondContact O-CB 3.35Å
387	S	42.2	Very low	54.5	Low	112 Å²	112	102.9 Å²	102.9	78%	0.783	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	50.3	-165.8	64.8	0	0	0	0	114.8	R385	R385-S387 VanDerWaalsContact C-N 3.31Å; R385-S387 PolarHBondContact O-N 2.84Å
388	T	49.7	Very low	56.9	Low	113 Å²	113	98 Å²	98	69%	0.693	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	-3.3	178.8	58	0	0	0	0	114.4	R386	R386-T388 VanDerWaalsContact C-N 3.31Å; R386-T388 PolarHBondContact O-N 3.36Å
389	A	54.5	Low	59.4	Low	20 Å²	20	89.9 Å²	89.9	17%	0.165	47%	0.466	C	S	.	.			trans	-90.2	126.6	177.6	0	0	0	0	0	110.4	E394 S395 S400	A389-E394 HydrophobicContact CB-CB 4.2Å; A389-E394 HydrophobicContact CB-CG 3.84Å; A389-S395 VanDerWaalsContact CB-OG 3.28Å; A389-S395 WeakPolarHBondContact CB-OG 3.4Å; A389-S400 WeakPolarHBondContact CB-OG 3.48Å
390	H	67.9	Low	61.8	Low	143 Å²	143	83.9 Å²	83.9	66%	0.662	43%	0.43	S	S	*	.			trans	-81.6	-27.1	-175.8	-75.8	-85.8	0	0	0	112.1	P362 E394	P362-H390 WeakPolarHBondContact CA-O 3.47Å; P362-H390 HydrophobicContact CB-CB 4.48Å; P362-H390 WeakPolarHBondContact CB-O 3.43Å; P362-H390 HydrophobicContact CG-CB 4.46Å; P362-H390 WeakPolarHBondContact CG-O 3.34Å; H390-E394 PolarHBondContact N-OE2 2.84Å
391	S	83.8	Confident	64.2	Low	4 Å²	4	76.4 Å²	76.4	3%	0.028	40%	0.398	C	S	.	.	S	Bend	trans	-122.7	159.8	-176.4	76.4	0	0	0	0	113.7	F357 M393 E394 S395	F357-S391 VanDerWaalsContact O-CB 3.31Å; F357-S391 WeakPolarHBondContact O-CB 3.43Å; S391-M393 VanDerWaalsContact C-N 3.26Å; S391-M393 PolarHBondContact O-N 3.34Å; S391-E394 PolarHBondContact O-N 2.96Å; S391-E394 WeakPolarHBondContact OG-CB 3.24Å; S391-E394 PolarHBondContact OG-N 3.11Å; S391-S395 WeakPolarHBondContact O-CB 3.07Å; S391-S395 PolarHBondContact O-N 3Å; S391-S395 PolarHBondContact O-OG 3.02Å
392	F	85.6	Confident	66.6	Low	35 Å²	35	68.8 Å²	68.8	15%	0.154	36%	0.363	C	S	.	.	H	α-helix	trans	-60	-40.5	173.1	-68.8	-19	0	0	0	111.1	L229 Y232 F357 T361 I365 E394 S395 V396	L229-F392 HydrophobicContact CD2-CD2 4.16Å; L229-F392 HydrophobicContact CD2-CE2 4.32Å; Y232-F392 HydrophobicContact CD1-CD1 4.02Å; Y232-F392 HydrophobicContact CD1-CE1 4.11Å; Y232-F392 HydrophobicContact CD1-CG 4.35Å; Y232-F392 HydrophobicContact CD2-CB 4.15Å; Y232-F392 AromaticContact CD2-CD1 3.81Å; Y232-F392 HydrophobicContact CD2-CD1 3.81Å; Y232-F392 HydrophobicContact CD2-CG 4.14Å; Y232-F392 AromaticContact CE1-CD1 3.6Å; Y232-F392 HydrophobicContact CE1-CD1 3.6Å; Y232-F392 AromaticContact CE1-CE1 3.39Å; Y232-F392 HydrophobicContact CE1-CE1 3.39Å; Y232-F392 HydrophobicContact CE1-CG 4.36Å; Y232-F392 HydrophobicContact CE1-CZ 4.02Å; Y232-F392 HydrophobicContact CE2-CB 4.46Å; Y232-F392 AromaticContact CE2-CD1 3.39Å; Y232-F392 HydrophobicContact CE2-CD1 3.39Å; Y232-F392 AromaticContact CE2-CE1 3.97Å; Y232-F392 HydrophobicContact CE2-CE1 3.97Å; Y232-F392 HydrophobicContact CE2-CG 4.18Å; Y232-F392 HydrophobicContact CG-CB 4.44Å; Y232-F392 HydrophobicContact CG-CD1 4.1Å; Y232-F392 HydrophobicContact CG-CG 4.23Å; Y232-F392 AromaticContact CZ-CD1 3.25Å; Y232-F392 AromaticContact CZ-CE1 3.3Å; Y232-F392 VanDerWaalsContact OH-CE1 3.32Å; Y232-F392 WeakPolarHBondContact OH-CE1 3.36Å; F357-F392 HydrophobicContact CD1-CD2 4.5Å; F357-F392 HydrophobicContact CE1-CD2 4.37Å; T361-F392 HydrophobicContact CG2-CB 3.68Å; T361-F392 HydrophobicContact CG2-CD1 3.62Å; T361-F392 HydrophobicContact CG2-CD2 3.26Å; T361-F392 HydrophobicContact CG2-CE1 4Å; T361-F392 HydrophobicContact CG2-CE2 3.67Å; T361-F392 HydrophobicContact CG2-CG 3.22Å; T361-F392 HydrophobicContact CG2-CZ 4.02Å; I365-F392 HydrophobicContact CD1-CD1 3.45Å; I365-F392 VanDerWaalsContact CD1-CD1 3.45Å; I365-F392 HydrophobicContact CD1-CE1 3.28Å; I365-F392 HydrophobicContact CD1-CZ 4.25Å; I365-F392 HydrophobicContact CG1-CD1 4.26Å; I365-F392 HydrophobicContact CG1-CE1 3.58Å; I365-F392 HydrophobicContact CG1-CZ 4.18Å; F392-E394 PolarHBondContact O-N 2.99Å; F392-S395 PolarHBondContact O-N 2.97Å; F392-V396 WeakPolarHBondContact O-CB 3.41Å; F392-V396 WeakPolarHBondContact O-CG2 3.32Å; F392-V396 PolarHBondContact O-N 3.48Å
393	M	84.2	Confident	69.2	Low	57 Å²	57	69.6 Å²	69.6	28%	0.281	36%	0.357	S	S	.	.	H	α-helix	trans	-61.9	-45.4	179.7	-168.9	173.1	88.9	0	0	111.6	F357 V358 S391 V396 A397	F357-M393 HydrophobicContact CB-CB 4.33Å; V358-M393 HydrophobicContact CG2-CE 3.21Å; V358-M393 HydrophobicContact CG2-SD 4.01Å; S391-M393 VanDerWaalsContact C-N 3.26Å; S391-M393 PolarHBondContact O-N 3.34Å; M393-V396 PolarHBondContact O-N 2.85Å; M393-A397 VanDerWaalsContact O-CB 3.29Å; M393-A397 WeakPolarHBondContact O-CB 3.47Å; M393-A397 PolarHBondContact O-N 3.43Å
394	E	83.9	Confident	71.7	Confident	51 Å²	51	63.2 Å²	63.2	24%	0.238	34%	0.339	C	S	.	.	H	α-helix	trans	-65.4	-41	175.9	-176.6	-180	-163.7	0	0	111.6	A389 H390 S391 F392 V396 A397 T398	A389-E394 HydrophobicContact CB-CB 4.2Å; A389-E394 HydrophobicContact CB-CG 3.84Å; H390-E394 PolarHBondContact N-OE2 2.84Å; S391-E394 PolarHBondContact O-N 2.96Å; S391-E394 WeakPolarHBondContact OG-CB 3.24Å; S391-E394 PolarHBondContact OG-N 3.11Å; F392-E394 PolarHBondContact O-N 2.99Å; E394-V396 VanDerWaalsContact C-N 3.31Å; E394-V396 PolarHBondContact O-N 3.44Å; E394-A397 PolarHBondContact O-N 3.38Å; E394-T398 HydrophobicContact CG-CG2 4.05Å; E394-T398 WeakPolarHBondContact O-CB 3.48Å; E394-T398 WeakPolarHBondContact O-CG2 3.28Å; E394-T398 PolarHBondContact O-N 3.41Å; E394-T398 PolarHBondContact O-OG1 3.32Å
395	S	85.3	Confident	74.1	Confident	10 Å²	10	59.3 Å²	59.3	7%	0.07	32%	0.324	C	S	.	.	H	α-helix	trans	-62.3	-40.1	-179.8	-57.4	0	0	0	0	112.2	A389 S391 F392 G399 S400 A401	A389-S395 VanDerWaalsContact CB-OG 3.28Å; A389-S395 WeakPolarHBondContact CB-OG 3.4Å; S391-S395 WeakPolarHBondContact O-CB 3.07Å; S391-S395 PolarHBondContact O-N 3Å; S391-S395 PolarHBondContact O-OG 3.02Å; F392-S395 PolarHBondContact O-N 2.97Å; S395-G399 CarbonylContact O-C 3.43Å; S395-G399 PolarHBondContact O-N 3.32Å; S395-S400 VanDerWaalsContact CA-OG 3.32Å; S395-S400 WeakPolarHBondContact CA-OG 3.43Å; S395-S400 PolarHBondContact O-N 2.93Å; S395-S400 PolarHBondContact O-OG 3.16Å; S395-A401 PolarHBondContact O-N 3.2Å; S395-A401 VanDerWaalsContact O-N 3.1Å
396	V	87.7	Confident	76.4	Confident	12 Å²	12	53 Å²	53	7%	0.073	30%	0.301	C	S	.	.	H	α-helix	trans	-71.4	-45.2	175.4	172.7	0	0	0	0	110.5	L228 T231 Y232 F392 M393 E394 T398 G399 I408	L228-V396 HydrophobicContact CD1-CB 4.31Å; L228-V396 HydrophobicContact CD1-CG1 4.27Å; L228-V396 HydrophobicContact CD1-CG2 4.33Å; T231-V396 HydrophobicContact CG2-CG1 3.72Å; Y232-V396 HydrophobicContact CD2-CG2 4.11Å; Y232-V396 HydrophobicContact CG-CG2 4.45Å; F392-V396 WeakPolarHBondContact O-CB 3.41Å; F392-V396 WeakPolarHBondContact O-CG2 3.32Å; F392-V396 PolarHBondContact O-N 3.48Å; M393-V396 PolarHBondContact O-N 2.85Å; E394-V396 VanDerWaalsContact C-N 3.31Å; E394-V396 PolarHBondContact O-N 3.44Å; V396-T398 PolarHBondContact O-N 3.25Å; V396-G399 PolarHBondContact O-N 3.39Å; V396-I408 HydrophobicContact CB-CD1 4.48Å; V396-I408 HydrophobicContact CG1-CD1 3.27Å; V396-I408 WeakPolarHBondContact O-CD1 3.44Å
397	A	84.3	Confident	78.8	Confident	26 Å²	26	47 Å²	47	22%	0.215	28%	0.283	C	S	.	.	H	α-helix	trans	-65.9	-40.1	-178	0	0	0	0	0	113.5	M393 E394 G399 R413 L435	M393-A397 VanDerWaalsContact O-CB 3.29Å; M393-A397 WeakPolarHBondContact O-CB 3.47Å; M393-A397 PolarHBondContact O-N 3.43Å; E394-A397 PolarHBondContact O-N 3.38Å; A397-G399 VanDerWaalsContact C-N 3.34Å; A397-R413 PolarHBondContact O-NH2 3.35Å; A397-L435 HydrophobicContact CB-CD1 4.24Å; A397-L435 HydrophobicContact CB-CD2 4.3Å
398	T	83.6	Confident	81.1	Confident	64 Å²	64	42.1 Å²	42.1	39%	0.393	25%	0.248	S	C	.	.	H	α-helix	trans	-84.6	-9.6	179.8	60.5	0	0	0	0	113.2	E394 V396 S400 L407	E394-T398 HydrophobicContact CG-CG2 4.05Å; E394-T398 WeakPolarHBondContact O-CB 3.48Å; E394-T398 WeakPolarHBondContact O-CG2 3.28Å; E394-T398 PolarHBondContact O-N 3.41Å; E394-T398 PolarHBondContact O-OG1 3.32Å; V396-T398 PolarHBondContact O-N 3.25Å; T398-S400 PolarHBondContact O-N 3.02Å; T398-S400 PolarHBondContact OG1-OG 3.37Å; T398-L407 WeakPolarHBondContact O-CD2 3.12Å
399	G	85	Confident	83.1	Confident	9 Å²	9	36.8 Å²	36.8	9%	0.093	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	11.6	-177.2	0	0	0	0	0	115.1	Y235 S395 V396 A397 A401 G402	Y235-G399 VanDerWaalsContact CZ-CA 3.47Å; Y235-G399 WeakPolarHBondContact OH-CA 3.46Å; S395-G399 CarbonylContact O-C 3.43Å; S395-G399 PolarHBondContact O-N 3.32Å; V396-G399 PolarHBondContact O-N 3.39Å; A397-G399 VanDerWaalsContact C-N 3.34Å; G399-A401 PolarHBondContact O-N 3.35Å; G399-G402 PolarHBondContact O-N 2.82Å
400	S	83.3	Confident	84.9	Confident	14 Å²	14	39.2 Å²	39.2	10%	0.098	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-11.9	176.3	62.7	0	0	0	0	113.6	R386 A389 S395 T398 G402	R386-S400 WeakPolarHBondContact O-CB 3.35Å; A389-S400 WeakPolarHBondContact CB-OG 3.48Å; S395-S400 VanDerWaalsContact CA-OG 3.32Å; S395-S400 WeakPolarHBondContact CA-OG 3.43Å; S395-S400 PolarHBondContact O-N 2.93Å; S395-S400 PolarHBondContact O-OG 3.16Å; T398-S400 PolarHBondContact O-N 3.02Å; T398-S400 PolarHBondContact OG1-OG 3.37Å; S400-G402 VanDerWaalsContact C-N 3.34Å
401	A	83.3	Confident	86.1	Confident	17 Å²	17	32.7 Å²	32.7	14%	0.14	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-29.7	174.4	0	0	0	0	0	113.6	Y232 Y235 S395 G399	Y232-A401 HydrophobicContact CD2-CB 3.99Å; Y232-A401 HydrophobicContact CE2-CB 4.33Å; Y235-A401 HydrophobicContact CD2-CB 3.77Å; Y235-A401 HydrophobicContact CE2-CB 4.48Å; Y235-A401 HydrophobicContact CG-CB 4.13Å; S395-A401 PolarHBondContact O-N 3.2Å; S395-A401 VanDerWaalsContact O-N 3.1Å; G399-A401 PolarHBondContact O-N 3.35Å
402	G	81.5	Confident	86.6	Confident	19 Å²	19	32.5 Å²	32.5	20%	0.196	19%	0.194	C	C	.	.			trans	-116.7	175.3	-176.6	0	0	0	0	0	115	D236 G399 S400	D236-G402 WeakPolarHBondContact OD1-CA 3.23Å; G399-G402 PolarHBondContact O-N 2.82Å; S400-G402 VanDerWaalsContact C-N 3.34Å
403	K	84.7	Confident	86.9	Confident	121 Å²	121	31.4 Å²	31.4	53%	0.526	19%	0.188	S	C	.	.	S	Bend	trans	-100.5	-15.7	178.2	-65.5	178.9	-179.5	177.7	0	113.1	D236 R383 G405	D236-K403 PolarHBondContact OD1-N 3.41Å; D236-K403 PolarHBondContact OD2-N 3.49Å; R383-K403 PolarHBondContact NH2-O 3.24Å; K403-G405 VanDerWaalsContact C-N 3.25Å; K403-G405 PolarHBondContact O-N 2.83Å
404	S	83.7	Confident	87.1	Confident	37 Å²	37	29.5 Å²	29.5	26%	0.259	18%	0.179	S	C	.	.	S	Bend	trans	-58.7	-31.9	-176.1	64.4	0	0	0	0	113.7	D236 E406	D236-S404 WeakPolarHBondContact OD1-CB 3.05Å; D236-S404 PolarHBondContact OD1-N 3.45Å; D236-S404 PolarHBondContact OD1-OG 3.44Å; S404-E406 PolarHBondContact O-N 2.89Å; S404-E406 PolarHBondContact OG-N 3.06Å
405	G	82.7	Confident	87.2	Confident	46 Å²	46	28.6 Å²	28.6	47%	0.474	18%	0.176	S	C	.	.			trans	75.2	1	-173.6	0	0	0	0	0	114	K403	K403-G405 VanDerWaalsContact C-N 3.25Å; K403-G405 PolarHBondContact O-N 2.83Å
406	E	88.1	Confident	87.1	Confident	21 Å²	21	29.5 Å²	29.5	10%	0.098	18%	0.18	C	C	.	.			trans	-81.9	152	175.3	-67	-80.5	171.6	0	0	110.4	Y235 V239 Y240 R309 S404	Y235-E406 WeakPolarHBondContact CE1-O 3.48Å; Y235-E406 PolarHBondContact OH-O 3.4Å; V239-E406 HydrophobicContact CG1-CB 4.07Å; V239-E406 HydrophobicContact CG2-CB 3.76Å; Y240-E406 HydrophobicContact CE1-CG 4.02Å; R309-E406 IonicContact CZ-OE1 3.7Å; R309-E406 IonicContact CZ-OE2 2.98Å; R309-E406 IonicContact NE-OE1 3.23Å; R309-E406 IonicContact NE-OE2 2.88Å; R309-E406 PolarHBondContact NE-OE2 3.29Å; R309-E406 IonicContact NH2-OE1 3.65Å; R309-E406 PolarHBondContact NH2-OE1 2.91Å; R309-E406 IonicContact NH2-OE2 3.73Å; S404-E406 PolarHBondContact O-N 2.89Å; S404-E406 PolarHBondContact OG-N 3.06Å
407	L	89.5	Confident	86.6	Confident	57 Å²	57	30.6 Å²	30.6	30%	0.298	19%	0.185	S	C	.	.			trans	-114.7	142.5	-174.3	-66.4	162.5	0	0	0	111.1	W316 T398 R413	W316-L407 HydrophobicContact CZ2-CD1 4.4Å; T398-L407 WeakPolarHBondContact O-CD2 3.12Å; L407-R413 VanDerWaalsContact CB-NH1 3.29Å; L407-R413 VanDerWaalsContact CD1-NH1 3.29Å
408	I	91.2	Very high	86	Confident	9 Å²	9	30.1 Å²	30.1	5%	0.046	18%	0.178	C	C	.	.			trans	-76.8	127.1	-177.7	-63.9	166.5	0	0	0	111.2	T231 Y235 V239 L242 V396 L410 R413	T231-I408 HydrophobicContact CG2-CD1 3.39Å; T231-I408 HydrophobicContact CG2-CG1 4.46Å; Y235-I408 HydrophobicContact CD2-CD1 4.3Å; Y235-I408 HydrophobicContact CE2-CD1 3.56Å; Y235-I408 HydrophobicContact CE2-CG1 4.01Å; V239-I408 HydrophobicContact CG2-CG1 4.15Å; L242-I408 HydrophobicContact CD1-CD1 4.29Å; L242-I408 HydrophobicContact CD1-CG1 4.23Å; L242-I408 HydrophobicContact CD1-CG2 3.8Å; V396-I408 HydrophobicContact CB-CD1 4.48Å; V396-I408 HydrophobicContact CG1-CD1 3.27Å; V396-I408 WeakPolarHBondContact O-CD1 3.44Å; I408-L410 HydrophobicContact CG2-CB 3.89Å; I408-L410 HydrophobicContact CG2-CD1 3.82Å; I408-L410 HydrophobicContact CG2-CG 3.72Å; I408-L410 PolarHBondContact O-N 3.16Å; I408-R413 PolarHBondContact O-NH2 3.06Å
409	P	92.3	Very high	85.2	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-84.8	38.8	-176.3	37.6	-40.1	0	0	0	113.8	I243 F246 W305 Q319 F438	I243-P409 HydrophobicContact CG1-CG 4.24Å; F246-P409 HydrophobicContact CB-CB 4.15Å; F246-P409 HydrophobicContact CB-CG 3.58Å; F246-P409 HydrophobicContact CD1-CB 4.03Å; F246-P409 HydrophobicContact CD1-CG 4.33Å; F246-P409 HydrophobicContact CD2-CB 3.88Å; F246-P409 HydrophobicContact CD2-CG 4.14Å; F246-P409 WeakPolarHBondContact CD2-O 3.47Å; F246-P409 HydrophobicContact CE1-CB 4.39Å; F246-P409 HydrophobicContact CE2-CB 4.26Å; F246-P409 WeakPolarHBondContact CE2-O 3.23Å; F246-P409 HydrophobicContact CG-CB 3.75Å; F246-P409 HydrophobicContact CG-CG 3.77Å; F246-P409 HydrophobicContact CZ-CB 4.49Å; W305-P409 HydrophobicContact CH2-CB 3.55Å; W305-P409 HydrophobicContact CH2-CG 3.86Å; W305-P409 HydrophobicContact CZ2-CB 3.54Å; W305-P409 HydrophobicContact CZ2-CG 4.35Å; Q319-P409 HydrophobicContact CG-CB 4.3Å; P409-F438 VanDerWaalsContact O-CE2 3.32Å; P409-F438 WeakPolarHBondContact O-CE2 3.39Å
410	L	91.8	Very high	84	Confident	71 Å²	71	35.3 Å²	35.3	37%	0.372	19%	0.191	S	C	.	.	S	Bend	trans	-108.5	27.9	-178.9	-64.3	176.3	0	0	0	112.8	L242 I408 F438	L242-L410 HydrophobicContact CD1-CD1 4.28Å; L242-L410 HydrophobicContact CD2-CD1 4.13Å; I408-L410 HydrophobicContact CG2-CB 3.89Å; I408-L410 HydrophobicContact CG2-CD1 3.82Å; I408-L410 HydrophobicContact CG2-CG 3.72Å; I408-L410 PolarHBondContact O-N 3.16Å; L410-F438 VanDerWaalsContact C-CD2 3.47Å; L410-F438 HydrophobicContact CB-CD2 4.43Å; L410-F438 HydrophobicContact CD2-CD2 4.4Å; L410-F438 PolarHBondContact O-N 3.21Å
411	S	93.5	Very high	82.6	Confident	6 Å²	6	42 Å²	42	4%	0.042	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	147.7	-177.6	45.5	0	0	0	0	111.3	Q319 R413 L436	Q319-S411 PolarHBondContact NE2-O 3.46Å; S411-R413 PolarHBondContact OG-NE 3.4Å; S411-L436 CarbonylContact C-O 3.41Å; S411-L436 WeakPolarHBondContact CA-O 3.22Å; S411-L436 VanDerWaalsContact CB-O 3.22Å; S411-L436 WeakPolarHBondContact CB-O 3.5Å
412	F	94	Very high	81	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	130	159.5	-59.2	-67.7	0	0	0	107.7	L173 F176 A177 M324 V327 L435 L436 F438 A441	L173-F412 HydrophobicContact CD2-CB 3.72Å; F176-F412 HydrophobicContact CB-CD1 3.79Å; F176-F412 HydrophobicContact CB-CE1 3.96Å; F176-F412 HydrophobicContact CB-CG 4.19Å; F176-F412 HydrophobicContact CB-CZ 4.48Å; F176-F412 HydrophobicContact CD2-CD1 4.49Å; F176-F412 HydrophobicContact CG-CD1 4.4Å; A177-F412 HydrophobicContact CB-CE2 4.26Å; M324-F412 HydrophobicContact CG-CE1 3.9Å; V327-F412 HydrophobicContact CG2-CZ 4.03Å; F412-L435 CarbonylContact O-C 3.51Å; F412-L435 VanDerWaalsContact O-CA 3.3Å; F412-L435 WeakPolarHBondContact O-CA 3.33Å; F412-L436 HydrophobicContact CB-CB 4.43Å; F412-L436 HydrophobicContact CD2-CD2 4.32Å; F412-L436 PolarHBondContact N-O 3.03Å; F412-L436 PolarHBondContact O-N 3.1Å; F412-F438 HydrophobicContact CD1-CD1 4.26Å; F412-F438 AromaticContact CD1-CE1 3.71Å; F412-F438 HydrophobicContact CD1-CE1 3.71Å; F412-F438 AromaticContact CD2-CD1 3.95Å; F412-F438 HydrophobicContact CD2-CD1 3.95Å; F412-F438 HydrophobicContact CD2-CE1 4.18Å; F412-F438 HydrophobicContact CE1-CD1 4.12Å; F412-F438 AromaticContact CE1-CE1 3.74Å; F412-F438 HydrophobicContact CE1-CE1 3.74Å; F412-F438 AromaticContact CE2-CD1 3.8Å; F412-F438 HydrophobicContact CE2-CD1 3.8Å; F412-F438 HydrophobicContact CE2-CE1 4.22Å; F412-F438 HydrophobicContact CG-CD1 4.17Å; F412-F438 AromaticContact CG-CE1 3.93Å; F412-F438 HydrophobicContact CG-CE1 3.93Å; F412-F438 AromaticContact CZ-CD1 3.89Å; F412-F438 HydrophobicContact CZ-CD1 3.89Å; F412-F438 HydrophobicContact CZ-CE1 4.01Å; F412-A441 HydrophobicContact CE2-CB 4.03Å
413	R	92	Very high	79.1	Confident	12 Å²	12	43.1 Å²	43.1	5%	0.045	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	138.7	-178	-67.9	-175.8	179.2	-144	-1.3	109.7	W316 S320 A397 L407 I408 S411 L435	W316-R413 CarbonylContact C-O 3.59Å; W316-R413 HydrophobicContact CB-CB 3.97Å; W316-R413 HydrophobicContact CD2-CB 4.06Å; W316-R413 HydrophobicContact CE3-CB 4.06Å; W316-R413 HydrophobicContact CG-CB 4.04Å; S320-R413 PolarHBondContact OG-N 3.47Å; S320-R413 PolarHBondContact OG-O 3.1Å; A397-R413 PolarHBondContact O-NH2 3.35Å; L407-R413 VanDerWaalsContact CB-NH1 3.29Å; L407-R413 VanDerWaalsContact CD1-NH1 3.29Å; I408-R413 PolarHBondContact O-NH2 3.06Å; S411-R413 PolarHBondContact OG-NE 3.4Å; R413-L435 HydrophobicContact CG-CB 4.12Å
414	L	88.3	Confident	77.4	Confident	17 Å²	17	47.8 Å²	47.8	9%	0.089	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	138.5	177.5	-167.2	69.3	0	0	0	110.2	I169 L172 L173 P317 I416 S434	I169-L414 HydrophobicContact CG2-CB 4.3Å; I169-L414 HydrophobicContact CG2-CD2 4.47Å; L172-L414 HydrophobicContact CB-CD2 3.59Å; L172-L414 HydrophobicContact CD1-CD2 3.52Å; L172-L414 HydrophobicContact CG-CD2 4.21Å; L173-L414 HydrophobicContact CD2-CB 4.15Å; P317-L414 HydrophobicContact CG-CD1 4.39Å; L414-I416 HydrophobicContact CD2-CD1 4.01Å; L414-I416 HydrophobicContact CD2-CG1 4.06Å; L414-I416 HydrophobicContact CG-CG1 4.21Å; L414-S434 PolarHBondContact N-O 2.96Å; L414-S434 PolarHBondContact O-N 3.23Å
415	L	86.2	Confident	75.4	Confident	33 Å²	33	54.6 Å²	54.6	17%	0.173	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.7	171	-179.1	147.4	0	0	0	107.7	D312 W316 N417 P431 Y432 T433	D312-L415 HydrophobicContact CB-CD1 3.89Å; W316-L415 HydrophobicContact CE3-CB 3.73Å; W316-L415 HydrophobicContact CH2-CD1 4.32Å; W316-L415 HydrophobicContact CZ3-CB 3.65Å; W316-L415 HydrophobicContact CZ3-CD1 4.17Å; W316-L415 HydrophobicContact CZ3-CG 4.49Å; L415-N417 VanDerWaalsContact CD2-OD1 3.27Å; L415-N417 WeakPolarHBondContact CD2-OD1 3.5Å; L415-P431 HydrophobicContact CD1-CB 4.07Å; L415-P431 HydrophobicContact CG-CB 4.32Å; L415-Y432 WeakPolarHBondContact CA-O 3.49Å; L415-T433 HydrophobicContact CB-CG2 4.35Å; L415-T433 HydrophobicContact CD1-CG2 3.8Å; L415-T433 HydrophobicContact CG-CG2 4.09Å
416	I	83	Confident	73.4	Confident	28 Å²	28	56.8 Å²	56.8	14%	0.144	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.2	172	-58.5	-179.2	0	0	0	108	F165 L168 I169 L172 L414 Y432	F165-I416 HydrophobicContact CD1-CG2 3.64Å; F165-I416 HydrophobicContact CE1-CG2 3.82Å; L168-I416 HydrophobicContact CD2-CD1 3.82Å; L168-I416 HydrophobicContact CG-CD1 3.89Å; I169-I416 HydrophobicContact CB-CD1 4.43Å; I169-I416 HydrophobicContact CD1-CB 4.15Å; I169-I416 HydrophobicContact CD1-CD1 4.34Å; I169-I416 HydrophobicContact CD1-CG1 4.18Å; I169-I416 HydrophobicContact CG1-CB 4.09Å; I169-I416 HydrophobicContact CG1-CD1 3.36Å; I169-I416 HydrophobicContact CG1-CG1 3.65Å; L172-I416 HydrophobicContact CD1-CD1 3.77Å; L414-I416 HydrophobicContact CD2-CD1 4.01Å; L414-I416 HydrophobicContact CD2-CG1 4.06Å; L414-I416 HydrophobicContact CG-CG1 4.21Å; I416-Y432 PolarHBondContact N-O 3.44Å; I416-Y432 PolarHBondContact O-N 3.46Å
417	N	76.4	Confident	71.6	Confident	35 Å²	35	60.3 Å²	60.3	19%	0.187	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	122.7	175.5	-73.5	-30.3	0	0	0	110.1	L415 Y419 A429 I430 P431	L415-N417 VanDerWaalsContact CD2-OD1 3.27Å; L415-N417 WeakPolarHBondContact CD2-OD1 3.5Å; N417-Y419 HydrophobicContact CB-CD2 4.32Å; N417-Y419 HydrophobicContact CB-CE1 4.42Å; N417-Y419 HydrophobicContact CB-CE2 3.74Å; N417-A429 HydrophobicContact CB-CB 3.96Å; N417-I430 WeakPolarHBondContact CA-O 3.43Å; N417-P431 WeakPolarHBondContact OD1-CA 3.27Å
418	E	71.7	Confident	69.6	Low	16 Å²	16	58.8 Å²	58.8	8%	0.075	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	110.1	162.1	178.9	174.8	-163.3	0	0	108	F165 I420 A429 I430 Y432	F165-E418 HydrophobicContact CD1-CB 4.35Å; F165-E418 HydrophobicContact CD2-CB 4.09Å; F165-E418 HydrophobicContact CD2-CG 4.15Å; F165-E418 HydrophobicContact CE1-CB 3.99Å; F165-E418 HydrophobicContact CE2-CB 3.72Å; F165-E418 VanDerWaalsContact CE2-CD 3.42Å; F165-E418 HydrophobicContact CE2-CG 3.48Å; F165-E418 VanDerWaalsContact CE2-CG 3.48Å; F165-E418 HydrophobicContact CG-CB 4.4Å; F165-E418 HydrophobicContact CZ-CB 3.66Å; F165-E418 HydrophobicContact CZ-CG 3.7Å; E418-I420 HydrophobicContact CG-CG1 4.21Å; E418-A429 CarbonylContact O-C 3.55Å; E418-A429 WeakPolarHBondContact O-CA 3.06Å; E418-I430 HydrophobicContact CB-CB 4.28Å; E418-I430 PolarHBondContact N-O 3.35Å; E418-I430 PolarHBondContact O-N 2.97Å; E418-Y432 HydrophobicContact CB-CD2 4.33Å; E418-Y432 HydrophobicContact CB-CE2 3.76Å; E418-Y432 WeakPolarHBondContact OE2-CE2 3.15Å; E418-Y432 PolarHBondContact OE2-OH 3.39Å; E418-Y432 VanDerWaalsContact OE2-OH 3.1Å
419	Y	68.2	Low	68.4	Low	156 Å²	156	60.5 Å²	60.5	61%	0.612	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	124.9	176.3	-64.8	-85.6	0	0	0	109.7	N417 A428 A429	N417-Y419 HydrophobicContact CB-CD2 4.32Å; N417-Y419 HydrophobicContact CB-CE1 4.42Å; N417-Y419 HydrophobicContact CB-CE2 3.74Å; Y419-A428 CarbonylContact C-O 3.59Å; Y419-A428 WeakPolarHBondContact CA-O 3.42Å; Y419-A429 HydrophobicContact CD1-CB 4.1Å; Y419-A429 HydrophobicContact CE1-CB 4Å
420	I	58.9	Low	67.1	Low	26 Å²	26	62 Å²	62	13%	0.133	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124.9	179.6	-58.7	169.4	0	0	0	107.4	F158 E418 V422 T427 A428 I430	F158-I420 HydrophobicContact CE1-CD1 3.6Å; F158-I420 HydrophobicContact CE2-CD1 3.94Å; F158-I420 HydrophobicContact CE2-CG1 4.27Å; F158-I420 HydrophobicContact CE2-CG2 4.32Å; F158-I420 HydrophobicContact CZ-CD1 3.25Å; F158-I420 HydrophobicContact CZ-CG1 3.87Å; E418-I420 HydrophobicContact CG-CG1 4.21Å; I420-V422 PolarHBondContact O-N 3.23Å; I420-V422 VanDerWaalsContact O-N 3.15Å; I420-T427 CarbonylContact O-C 3.44Å; I420-T427 VanDerWaalsContact O-CA 3.25Å; I420-T427 WeakPolarHBondContact O-CA 3.5Å; I420-A428 PolarHBondContact N-O 2.93Å; I420-A428 PolarHBondContact O-N 2.92Å; I420-I430 HydrophobicContact CD1-CD1 3.27Å; I420-I430 HydrophobicContact CD1-CG1 3.7Å
421	E	54.3	Low	66.2	Low	154 Å²	154	62.3 Å²	62.3	72%	0.72	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	110.9	168.8	-66.9	-178.8	-178	0	0	108.9	T427	E421-T427 HydrophobicContact CG-CG2 4.27Å
422	V	50.1	Low	65.5	Low	30 Å²	30	63.2 Å²	63.2	18%	0.182	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-43.9	175.3	-179.1	0	0	0	0	109	S37 R39 I420 N426 A428	S37-V422 CarbonylContact C-O 3.53Å; S37-V422 VanDerWaalsContact CB-O 3.28Å; S37-V422 WeakPolarHBondContact CB-O 3.36Å; S37-V422 PolarHBondContact OG-O 2.91Å; R39-V422 HydrophobicContact CB-CG1 4.46Å; I420-V422 PolarHBondContact O-N 3.23Å; I420-V422 VanDerWaalsContact O-N 3.15Å; V422-N426 HydrophobicContact CB-CB 4.48Å; V422-N426 WeakPolarHBondContact CB-O 3.38Å; V422-N426 PolarHBondContact N-O 3.19Å; V422-A428 HydrophobicContact CG2-CB 3.48Å; V422-A428 VanDerWaalsContact CG2-CB 3.48Å
423	N	41.1	Very low	65	Low	31 Å²	31	67.1 Å²	67.1	17%	0.166	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	177	169.1	66.7	25.6	0	0	0	109	Q425 N426	N423-Q425 PolarHBondContact O-N 3.15Å; N423-Q425 PolarHBondContact OD1-N 2.97Å; N423-N426 PolarHBondContact N-O 2.77Å; N423-N426 PolarHBondContact ND2-ND2 3.3Å; N423-N426 PolarHBondContact O-N 3.29Å; N423-N426 WeakPolarHBondContact OD1-CA 3Å; N423-N426 VanDerWaalsContact OD1-CB 3.22Å; N423-N426 WeakPolarHBondContact OD1-CB 3.46Å; N423-N426 PolarHBondContact OD1-N 3.12Å
424	K	48.3	Very low	64.7	Low	219 Å²	219	67.8 Å²	67.8	95%	0.952	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-16	-178.9	-78.3	-176.1	178.6	176	0	114.9
425	Q	41.2	Very low	64.8	Low	180 Å²	180	69.9 Å²	69.9	84%	0.841	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	-19.1	-176.2	-65.9	179.7	-11.5	0	0	113.3	N423	N423-Q425 PolarHBondContact O-N 3.15Å; N423-Q425 PolarHBondContact OD1-N 2.97Å
426	N	41.4	Very low	65.1	Low	92 Å²	92	68.6 Å²	68.6	49%	0.492	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	125.3	-170.4	-63.8	-20.1	0	0	0	111.1	V422 N423	V422-N426 HydrophobicContact CB-CB 4.48Å; V422-N426 WeakPolarHBondContact CB-O 3.38Å; V422-N426 PolarHBondContact N-O 3.19Å; N423-N426 PolarHBondContact N-O 2.77Å; N423-N426 PolarHBondContact ND2-ND2 3.3Å; N423-N426 PolarHBondContact O-N 3.29Å; N423-N426 WeakPolarHBondContact OD1-CA 3Å; N423-N426 VanDerWaalsContact OD1-CB 3.22Å; N423-N426 WeakPolarHBondContact OD1-CB 3.46Å; N423-N426 PolarHBondContact OD1-N 3.12Å
427	T	50.1	Low	65.5	Low	94 Å²	94	68.2 Å²	68.2	58%	0.577	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	132	170	55.7	0	0	0	0	110.1	I420 E421	I420-T427 CarbonylContact O-C 3.44Å; I420-T427 VanDerWaalsContact O-CA 3.25Å; I420-T427 WeakPolarHBondContact O-CA 3.5Å; E421-T427 HydrophobicContact CG-CG2 4.27Å
428	A	48	Very low	66.3	Low	25 Å²	25	67.2 Å²	67.2	21%	0.207	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	138.8	169.8	0	0	0	0	0	109.9	Y419 I420 V422	Y419-A428 CarbonylContact C-O 3.59Å; Y419-A428 WeakPolarHBondContact CA-O 3.42Å; I420-A428 PolarHBondContact N-O 2.93Å; I420-A428 PolarHBondContact O-N 2.92Å; V422-A428 HydrophobicContact CG2-CB 3.48Å; V422-A428 VanDerWaalsContact CG2-CB 3.48Å
429	A	65	Low	67.3	Low	46 Å²	46	68.4 Å²	68.4	38%	0.38	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	129.4	172.4	0	0	0	0	0	110.2	N417 E418 Y419	N417-A429 HydrophobicContact CB-CB 3.96Å; E418-A429 CarbonylContact O-C 3.55Å; E418-A429 WeakPolarHBondContact O-CA 3.06Å; Y419-A429 HydrophobicContact CD1-CB 4.1Å; Y419-A429 HydrophobicContact CE1-CB 4Å
430	I	65.7	Low	68.5	Low	31 Å²	31	62.2 Å²	62.2	16%	0.159	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	111.7	166.5	-58	-173.8	0	0	0	108	F158 N417 E418 I420 Y432	F158-I430 HydrophobicContact CE1-CD1 4.21Å; N417-I430 WeakPolarHBondContact CA-O 3.43Å; E418-I430 HydrophobicContact CB-CB 4.28Å; E418-I430 PolarHBondContact N-O 3.35Å; E418-I430 PolarHBondContact O-N 2.97Å; I420-I430 HydrophobicContact CD1-CD1 3.27Å; I420-I430 HydrophobicContact CD1-CG1 3.7Å; I430-Y432 HydrophobicContact CB-CE2 4.3Å; I430-Y432 HydrophobicContact CG2-CD2 4.48Å; I430-Y432 HydrophobicContact CG2-CE2 3.87Å
431	P	72.8	Confident	70.2	Confident	77 Å²	77	61 Å²	61	50%	0.5	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	125.1	178.9	30.7	-32.8	0	0	0	110.6	L415 N417	L415-P431 HydrophobicContact CD1-CB 4.07Å; L415-P431 HydrophobicContact CG-CB 4.32Å; N417-P431 WeakPolarHBondContact OD1-CA 3.27Å
432	Y	79.7	Confident	72.1	Confident	26 Å²	26	54.7 Å²	54.7	10%	0.102	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125.6	165.3	-66.3	-82.2	0	0	0	108.5	S162 F165 K166 I169 L415 I416 E418 I430	S162-Y432 WeakPolarHBondContact CA-OH 3.42Å; S162-Y432 WeakPolarHBondContact CB-OH 3.3Å; F165-Y432 HydrophobicContact CB-CD1 4.36Å; F165-Y432 HydrophobicContact CB-CD2 3.53Å; F165-Y432 HydrophobicContact CB-CE2 3.71Å; F165-Y432 HydrophobicContact CB-CG 3.88Å; F165-Y432 HydrophobicContact CD1-CD2 4.22Å; F165-Y432 HydrophobicContact CD2-CE2 4.18Å; F165-Y432 AromaticContact CG-CD2 3.9Å; F165-Y432 HydrophobicContact CG-CD2 3.9Å; F165-Y432 AromaticContact CG-CE2 3.9Å; F165-Y432 HydrophobicContact CG-CE2 3.9Å; K166-Y432 HydrophobicContact CG-CD1 4.2Å; I169-Y432 VanDerWaalsContact CD1-C 3.45Å; I169-Y432 WeakPolarHBondContact CD1-O 3.39Å; L415-Y432 WeakPolarHBondContact CA-O 3.49Å; I416-Y432 PolarHBondContact N-O 3.44Å; I416-Y432 PolarHBondContact O-N 3.46Å; E418-Y432 HydrophobicContact CB-CD2 4.33Å; E418-Y432 HydrophobicContact CB-CE2 3.76Å; E418-Y432 WeakPolarHBondContact OE2-CE2 3.15Å; E418-Y432 PolarHBondContact OE2-OH 3.39Å; E418-Y432 VanDerWaalsContact OE2-OH 3.1Å; I430-Y432 HydrophobicContact CB-CE2 4.3Å; I430-Y432 HydrophobicContact CG2-CD2 4.48Å; I430-Y432 HydrophobicContact CG2-CE2 3.87Å
433	T	82.9	Confident	74.2	Confident	82 Å²	82	53.8 Å²	53.8	50%	0.503	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	140.6	-178.1	63.9	0	0	0	0	110.2	W316 L415	W316-T433 HydrophobicContact CH2-CG2 3.93Å; W316-T433 HydrophobicContact CZ3-CG2 3.78Å; L415-T433 HydrophobicContact CB-CG2 4.35Å; L415-T433 HydrophobicContact CD1-CG2 3.8Å; L415-T433 HydrophobicContact CG-CG2 4.09Å
434	S	86.4	Confident	76.7	Confident	26 Å²	26	52.3 Å²	52.3	18%	0.182	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	159.5	167.3	-53.4	0	0	0	0	110	L414	L414-S434 PolarHBondContact N-O 2.96Å; L414-S434 PolarHBondContact O-N 3.23Å
435	L	90.1	Very high	79	Confident	60 Å²	60	41.9 Å²	41.9	31%	0.314	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	149.2	180	68.9	89.4	0	0	0	110.5	A397 F412 R413	A397-L435 HydrophobicContact CB-CD1 4.24Å; A397-L435 HydrophobicContact CB-CD2 4.3Å; F412-L435 CarbonylContact O-C 3.51Å; F412-L435 VanDerWaalsContact O-CA 3.3Å; F412-L435 WeakPolarHBondContact O-CA 3.33Å; R413-L435 HydrophobicContact CG-CB 4.12Å
436	L	91.2	Very high	81.5	Confident	6 Å²	6	34.7 Å²	34.7	3%	0.031	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	126.3	172.9	178.3	65.8	0	0	0	108.6	W170 L173 A177 S411 F412 D440 F477	W170-L436 HydrophobicContact CZ3-CD1 4.38Å; L173-L436 HydrophobicContact CB-CB 4.35Å; L173-L436 HydrophobicContact CB-CD2 4.41Å; L173-L436 HydrophobicContact CD1-CB 4.31Å; A177-L436 HydrophobicContact CB-CD2 4.28Å; S411-L436 CarbonylContact C-O 3.41Å; S411-L436 WeakPolarHBondContact CA-O 3.22Å; S411-L436 VanDerWaalsContact CB-O 3.22Å; S411-L436 WeakPolarHBondContact CB-O 3.5Å; F412-L436 HydrophobicContact CB-CB 4.43Å; F412-L436 HydrophobicContact CD2-CD2 4.32Å; F412-L436 PolarHBondContact N-O 3.03Å; F412-L436 PolarHBondContact O-N 3.1Å; L436-D440 HydrophobicContact CD1-CB 4.03Å; L436-F477 HydrophobicContact CD1-CE2 4.12Å; L436-F477 HydrophobicContact CD2-CE2 3.8Å; L436-F477 HydrophobicContact CD2-CZ 4.33Å
437	G	92.2	Very high	84	Confident	20 Å²	20	30.3 Å²	30.3	21%	0.206	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	145	-177.4	0	0	0	0	0	112.1	G439 D440	G437-G439 PolarHBondContact O-N 2.89Å; G437-D440 PolarHBondContact N-OD2 3.02Å; G437-D440 PolarHBondContact O-N 2.87Å
438	F	93.7	Very high	86.2	Confident	15 Å²	15	25.8 Å²	25.8	7%	0.066	17%	0.169	C	C	.	.	H	α-helix	trans	-62.4	-30.4	172.2	-66.4	-24.1	0	0	0	112	F246 G323 V327 P409 L410 F412 D440 A441 V442	F246-F438 HydrophobicContact CD2-CE2 4.37Å; F246-F438 AromaticContact CE2-CE2 3.82Å; F246-F438 HydrophobicContact CE2-CE2 3.82Å; F246-F438 HydrophobicContact CE2-CZ 4.07Å; G323-F438 VanDerWaalsContact CA-CZ 3.43Å; V327-F438 HydrophobicContact CG2-CB 4.06Å; V327-F438 HydrophobicContact CG2-CD1 4.11Å; V327-F438 HydrophobicContact CG2-CG 4.09Å; P409-F438 VanDerWaalsContact O-CE2 3.32Å; P409-F438 WeakPolarHBondContact O-CE2 3.39Å; L410-F438 VanDerWaalsContact C-CD2 3.47Å; L410-F438 HydrophobicContact CB-CD2 4.43Å; L410-F438 HydrophobicContact CD2-CD2 4.4Å; L410-F438 PolarHBondContact O-N 3.21Å; F412-F438 HydrophobicContact CD1-CD1 4.26Å; F412-F438 AromaticContact CD1-CE1 3.71Å; F412-F438 HydrophobicContact CD1-CE1 3.71Å; F412-F438 AromaticContact CD2-CD1 3.95Å; F412-F438 HydrophobicContact CD2-CD1 3.95Å; F412-F438 HydrophobicContact CD2-CE1 4.18Å; F412-F438 HydrophobicContact CE1-CD1 4.12Å; F412-F438 AromaticContact CE1-CE1 3.74Å; F412-F438 HydrophobicContact CE1-CE1 3.74Å; F412-F438 AromaticContact CE2-CD1 3.8Å; F412-F438 HydrophobicContact CE2-CD1 3.8Å; F412-F438 HydrophobicContact CE2-CE1 4.22Å; F412-F438 HydrophobicContact CG-CD1 4.17Å; F412-F438 AromaticContact CG-CE1 3.93Å; F412-F438 HydrophobicContact CG-CE1 3.93Å; F412-F438 AromaticContact CZ-CD1 3.89Å; F412-F438 HydrophobicContact CZ-CD1 3.89Å; F412-F438 HydrophobicContact CZ-CE1 4.01Å; F438-D440 VanDerWaalsContact C-N 3.25Å; F438-D440 PolarHBondContact O-N 2.99Å; F438-A441 PolarHBondContact O-N 2.84Å; F438-A441 VanDerWaalsContact O-N 3.13Å; F438-V442 WeakPolarHBondContact O-CB 3.48Å; F438-V442 VanDerWaalsContact O-CG2 3.24Å; F438-V442 WeakPolarHBondContact O-CG2 3.44Å; F438-V442 PolarHBondContact O-N 3.29Å
439	G	91.7	Very high	88.4	Confident	41 Å²	41	24.8 Å²	24.8	42%	0.423	16%	0.16	S	C	.	.	H	α-helix	trans	-56.2	-38.6	176.2	0	0	0	0	0	113.1	G437 A441 V442 I443	G437-G439 PolarHBondContact O-N 2.89Å; G439-A441 PolarHBondContact O-N 3.47Å; G439-V442 PolarHBondContact O-N 2.74Å; G439-I443 WeakPolarHBondContact O-CG1 3.25Å; G439-I443 PolarHBondContact O-N 3.45Å
440	D	93	Very high	89.8	Confident	26 Å²	26	22.8 Å²	22.8	14%	0.139	14%	0.143	C	C	.	.	H	α-helix	trans	-69.9	-22	-178.9	-55	-38.1	0	0	0	112.9	L436 G437 F438 P444 A493 L497	L436-D440 HydrophobicContact CD1-CB 4.03Å; G437-D440 PolarHBondContact N-OD2 3.02Å; G437-D440 PolarHBondContact O-N 2.87Å; F438-D440 VanDerWaalsContact C-N 3.25Å; F438-D440 PolarHBondContact O-N 2.99Å; D440-P444 WeakPolarHBondContact O-CD 3.45Å; D440-P444 WeakPolarHBondContact O-CG 3.38Å; D440-A493 HydrophobicContact CB-CB 4.25Å; D440-L497 HydrophobicContact CB-CD1 4.07Å
441	A	94.8	Very high	91.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-92	-39.8	171.6	0	0	0	0	0	111.7	A177 V327 F412 F438 G439 G445	A177-A441 HydrophobicContact CB-CB 3.99Å; V327-A441 HydrophobicContact CG1-CB 4.1Å; F412-A441 HydrophobicContact CE2-CB 4.03Å; F438-A441 PolarHBondContact O-N 2.84Å; F438-A441 VanDerWaalsContact O-N 3.13Å; G439-A441 PolarHBondContact O-N 3.47Å; A441-G445 VanDerWaalsContact O-CA 3.27Å; A441-G445 WeakPolarHBondContact O-CA 3.47Å; A441-G445 PolarHBondContact O-N 3.34Å
442	V	94.7	Very high	92.2	Very high	21 Å²	21	17.7 Å²	17.7	13%	0.127	11%	0.111	C	C	.	.	H	α-helix	trans	-66	-48.3	-177.7	169.8	0	0	0	0	111.3	V327 I330 I331 F438 G439 G445 I446	V327-V442 HydrophobicContact CB-CG2 4.34Å; V327-V442 HydrophobicContact CG1-CG2 3.93Å; V327-V442 HydrophobicContact CG2-CG2 3.96Å; I330-V442 HydrophobicContact CG2-CG1 3.9Å; I330-V442 HydrophobicContact CG2-CG2 4.36Å; I331-V442 HydrophobicContact CG2-CB 4.49Å; I331-V442 HydrophobicContact CG2-CG1 4.34Å; F438-V442 WeakPolarHBondContact O-CB 3.48Å; F438-V442 VanDerWaalsContact O-CG2 3.24Å; F438-V442 WeakPolarHBondContact O-CG2 3.44Å; F438-V442 PolarHBondContact O-N 3.29Å; G439-V442 PolarHBondContact O-N 2.74Å; V442-G445 PolarHBondContact O-N 3.4Å; V442-I446 HydrophobicContact CG1-CD1 3.76Å; V442-I446 HydrophobicContact CG1-CG1 4.24Å; V442-I446 VanDerWaalsContact O-CG1 3.27Å; V442-I446 WeakPolarHBondContact O-CG1 3.44Å; V442-I446 PolarHBondContact O-N 3Å
443	I	93.8	Very high	92.8	Very high	12 Å²	12	16.4 Å²	16.4	6%	0.062	11%	0.106	C	C	.	.	H	α-helix	trans	-63.9	-56.4	-173.4	-62.3	-62.1	0	0	0	111.3	F347 F350 G439 G445 I446 L494	F347-I443 HydrophobicContact CD1-CG2 3.95Å; F347-I443 HydrophobicContact CE1-CG2 4.1Å; F347-I443 WeakPolarHBondContact CE1-O 3.26Å; F350-I443 HydrophobicContact CB-CG2 4.23Å; F350-I443 HydrophobicContact CD1-CD1 3.9Å; F350-I443 HydrophobicContact CD1-CG1 4.13Å; F350-I443 HydrophobicContact CD2-CD1 3.96Å; F350-I443 HydrophobicContact CE1-CD1 3.94Å; F350-I443 HydrophobicContact CE2-CD1 4Å; F350-I443 HydrophobicContact CG-CD1 3.91Å; F350-I443 HydrophobicContact CG-CG1 4.2Å; F350-I443 HydrophobicContact CZ-CD1 3.99Å; G439-I443 WeakPolarHBondContact O-CG1 3.25Å; G439-I443 PolarHBondContact O-N 3.45Å; I443-G445 VanDerWaalsContact C-N 3.27Å; I443-G445 PolarHBondContact O-N 3.13Å; I443-I446 PolarHBondContact O-N 3.41Å; I443-L494 HydrophobicContact CB-CD2 4.13Å; I443-L494 HydrophobicContact CG2-CD2 4.31Å
444	P	94.9	Very high	93.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.6	-36	172.4	-23.5	36.5	0	0	0	112.8	D440 I446 F447 I448 Y473 L494 L497	D440-P444 WeakPolarHBondContact O-CD 3.45Å; D440-P444 WeakPolarHBondContact O-CG 3.38Å; P444-I446 PolarHBondContact O-N 3.06Å; P444-F447 PolarHBondContact O-N 3.25Å; P444-I448 WeakPolarHBondContact O-CG1 3.28Å; P444-I448 PolarHBondContact O-N 3.25Å; P444-Y473 HydrophobicContact CB-CD2 3.55Å; P444-Y473 HydrophobicContact CB-CE2 3.85Å; P444-Y473 HydrophobicContact CG-CD2 3.99Å; P444-Y473 HydrophobicContact CG-CE2 3.92Å; P444-L494 HydrophobicContact CG-CD2 4.25Å; P444-L497 HydrophobicContact CG-CB 4.03Å
445	G	95.5	Very high	93.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-58.4	-45.6	178.9	0	0	0	0	0	113.2	A441 V442 I443 F447 I448 Q449	A441-G445 VanDerWaalsContact O-CA 3.27Å; A441-G445 WeakPolarHBondContact O-CA 3.47Å; A441-G445 PolarHBondContact O-N 3.34Å; V442-G445 PolarHBondContact O-N 3.4Å; I443-G445 VanDerWaalsContact C-N 3.27Å; I443-G445 PolarHBondContact O-N 3.13Å; G445-F447 VanDerWaalsContact C-N 3.27Å; G445-F447 PolarHBondContact O-N 2.7Å; G445-I448 PolarHBondContact O-N 2.89Å; G445-Q449 WeakPolarHBondContact O-CB 3.48Å; G445-Q449 VanDerWaalsContact O-CG 3.24Å; G445-Q449 WeakPolarHBondContact O-CG 3.11Å; G445-Q449 PolarHBondContact O-N 2.96Å
446	I	93.9	Very high	93.7	Very high	28 Å²	28	8.6 Å²	8.6	14%	0.144	6%	0.06	C	C	.	.	H	α-helix	trans	-58.4	-40.7	177.4	-66.6	164.8	0	0	0	110.9	I331 A334 I337 V442 I443 P444 Q449 F450	I331-I446 HydrophobicContact CB-CG1 4.36Å; I331-I446 HydrophobicContact CG2-CG1 4.02Å; A334-I446 HydrophobicContact CB-CD1 4.46Å; A334-I446 HydrophobicContact CB-CG1 4.3Å; I337-I446 HydrophobicContact CD1-CG2 3.56Å; I337-I446 HydrophobicContact CG1-CG2 3.78Å; V442-I446 HydrophobicContact CG1-CD1 3.76Å; V442-I446 HydrophobicContact CG1-CG1 4.24Å; V442-I446 VanDerWaalsContact O-CG1 3.27Å; V442-I446 WeakPolarHBondContact O-CG1 3.44Å; V442-I446 PolarHBondContact O-N 3Å; I443-I446 PolarHBondContact O-N 3.41Å; P444-I446 PolarHBondContact O-N 3.06Å; I446-Q449 PolarHBondContact O-N 2.8Å; I446-F450 PolarHBondContact O-N 2.91Å
447	F	94.9	Very high	93.7	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-68.5	-45.4	177.6	-179.8	-100.7	0	0	0	112.1	V340 F347 P444 G445 Q449 F450 L451 T501 L502 T505	V340-F447 HydrophobicContact CB-CE2 4.47Å; V340-F447 HydrophobicContact CG1-CE2 4.1Å; V340-F447 HydrophobicContact CG1-CZ 4.24Å; V340-F447 HydrophobicContact CG2-CE2 4.28Å; V340-F447 HydrophobicContact CG2-CZ 4.41Å; F347-F447 HydrophobicContact CE1-CB 3.61Å; F347-F447 HydrophobicContact CE1-CG 4.21Å; F347-F447 HydrophobicContact CE2-CB 4.23Å; F347-F447 AromaticContact CE2-CD1 3.96Å; F347-F447 HydrophobicContact CE2-CD1 3.96Å; F347-F447 HydrophobicContact CE2-CE1 4.48Å; F347-F447 AromaticContact CE2-CG 3.99Å; F347-F447 HydrophobicContact CE2-CG 3.99Å; F347-F447 HydrophobicContact CZ-CB 3.32Å; F347-F447 AromaticContact CZ-CD1 3.79Å; F347-F447 HydrophobicContact CZ-CD1 3.79Å; F347-F447 HydrophobicContact CZ-CD2 4.37Å; F347-F447 AromaticContact CZ-CG 3.57Å; F347-F447 HydrophobicContact CZ-CG 3.57Å; P444-F447 PolarHBondContact O-N 3.25Å; G445-F447 VanDerWaalsContact C-N 3.27Å; G445-F447 PolarHBondContact O-N 2.7Å; F447-Q449 PolarHBondContact O-N 3.06Å; F447-F450 WeakPolarHBondContact O-CB 3.36Å; F447-F450 PolarHBondContact O-N 3.32Å; F447-F450 VanDerWaalsContact O-N 3.11Å; F447-L451 HydrophobicContact CD1-CD1 4.21Å; F447-L451 HydrophobicContact CE1-CD1 3.82Å; F447-L451 HydrophobicContact CE1-CG 4.29Å; F447-L451 HydrophobicContact CZ-CD1 4.5Å; F447-L451 HydrophobicContact CZ-CD2 4.4Å; F447-L451 PolarHBondContact O-N 3.19Å; F447-L451 VanDerWaalsContact O-N 3.13Å; F447-T501 HydrophobicContact CD1-CG2 3.83Å; F447-T501 HydrophobicContact CE1-CG2 4.25Å; F447-L502 HydrophobicContact CE2-CD1 4.42Å; F447-L502 HydrophobicContact CZ-CD1 3.91Å; F447-T505 HydrophobicContact CE1-CG2 4.31Å; F447-T505 HydrophobicContact CZ-CG2 4.43Å
448	I	95.9	Very high	93.5	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-61.7	-36.1	176.8	-66.5	165.4	0	0	0	110.8	I181 P444 G445 L451 A452 F466 Y473 T501	I181-I448 HydrophobicContact CD1-CD1 4.31Å; I181-I448 HydrophobicContact CG2-CB 4.37Å; I181-I448 HydrophobicContact CG2-CG2 3.83Å; P444-I448 WeakPolarHBondContact O-CG1 3.28Å; P444-I448 PolarHBondContact O-N 3.25Å; G445-I448 PolarHBondContact O-N 2.89Å; I448-L451 WeakPolarHBondContact O-CB 3.47Å; I448-L451 PolarHBondContact O-N 2.89Å; I448-L451 VanDerWaalsContact O-N 3.12Å; I448-A452 PolarHBondContact O-N 2.8Å; I448-F466 HydrophobicContact CG2-CD2 3.47Å; I448-F466 VanDerWaalsContact CG2-CD2 3.47Å; I448-F466 HydrophobicContact CG2-CE2 3.47Å; I448-F466 VanDerWaalsContact CG2-CE2 3.47Å; I448-Y473 HydrophobicContact CD1-CG 4.25Å; I448-T501 HydrophobicContact CD1-CG2 4.24Å; I448-T501 HydrophobicContact CG1-CG2 4Å
449	Q	94.7	Very high	93.3	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.019	11%	0.106	C	C	.	.	H	α-helix	trans	-66.6	-36.2	173.9	-75.2	-29.4	-2	0	0	114.2	I181 G184 A185 I188 I331 G445 I446 F447 L451 A452 F453	I181-Q449 PolarHBondContact O-NE2 2.92Å; G184-Q449 VanDerWaalsContact CA-NE2 3.27Å; A185-Q449 VanDerWaalsContact CB-OE1 3.25Å; I188-Q449 HydrophobicContact CD1-CB 3.38Å; I188-Q449 HydrophobicContact CD1-CG 3.62Å; I331-Q449 HydrophobicContact CB-CG 3.76Å; I331-Q449 HydrophobicContact CD1-CG 3.97Å; I331-Q449 HydrophobicContact CG1-CG 3.65Å; G445-Q449 WeakPolarHBondContact O-CB 3.48Å; G445-Q449 VanDerWaalsContact O-CG 3.24Å; G445-Q449 WeakPolarHBondContact O-CG 3.11Å; G445-Q449 PolarHBondContact O-N 2.96Å; I446-Q449 PolarHBondContact O-N 2.8Å; F447-Q449 PolarHBondContact O-N 3.06Å; Q449-L451 VanDerWaalsContact C-N 3.26Å; Q449-L451 PolarHBondContact O-N 3.13Å; Q449-A452 PolarHBondContact O-N 3.23Å; Q449-F453 WeakPolarHBondContact O-CB 3.25Å; Q449-F453 PolarHBondContact O-N 2.82Å
450	F	93.1	Very high	93.2	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.018	9%	0.09	C	C	.	.	H	α-helix	trans	-59.7	-40.2	169	159.9	-101.7	0	0	0	111.3	I336 I337 V340 I446 F447 F453 Y454 L521	I336-F450 HydrophobicContact CG2-CD2 4.24Å; I337-F450 HydrophobicContact CB-CB 4.28Å; I337-F450 HydrophobicContact CB-CG 4.38Å; I337-F450 WeakPolarHBondContact O-CD2 3.4Å; I337-F450 WeakPolarHBondContact O-CE2 3.33Å; V340-F450 HydrophobicContact CG2-CE1 3.67Å; V340-F450 HydrophobicContact CG2-CZ 4.4Å; I446-F450 PolarHBondContact O-N 2.91Å; F447-F450 WeakPolarHBondContact O-CB 3.36Å; F447-F450 PolarHBondContact O-N 3.32Å; F447-F450 VanDerWaalsContact O-N 3.11Å; F450-F453 PolarHBondContact O-N 2.65Å; F450-Y454 WeakPolarHBondContact O-CB 3.25Å; F450-Y454 PolarHBondContact O-N 2.97Å; F450-L521 HydrophobicContact CE1-CD2 4.01Å; F450-L521 HydrophobicContact CZ-CD2 4.06Å
451	L	94.4	Very high	93	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.3	-43.7	175.3	-57.1	175	0	0	0	111.8	F447 I448 Q449 F453 Y454 D455 H465 T505 L521	F447-L451 HydrophobicContact CD1-CD1 4.21Å; F447-L451 HydrophobicContact CE1-CD1 3.82Å; F447-L451 HydrophobicContact CE1-CG 4.29Å; F447-L451 HydrophobicContact CZ-CD1 4.5Å; F447-L451 HydrophobicContact CZ-CD2 4.4Å; F447-L451 PolarHBondContact O-N 3.19Å; F447-L451 VanDerWaalsContact O-N 3.13Å; I448-L451 WeakPolarHBondContact O-CB 3.47Å; I448-L451 PolarHBondContact O-N 2.89Å; I448-L451 VanDerWaalsContact O-N 3.12Å; Q449-L451 VanDerWaalsContact C-N 3.26Å; Q449-L451 PolarHBondContact O-N 3.13Å; L451-F453 VanDerWaalsContact C-N 3.3Å; L451-F453 PolarHBondContact O-N 3.02Å; L451-Y454 PolarHBondContact O-N 3.26Å; L451-D455 VanDerWaalsContact O-CB 3.29Å; L451-D455 WeakPolarHBondContact O-CB 2.84Å; L451-D455 PolarHBondContact O-N 2.95Å; L451-H465 HydrophobicContact CB-CB 4.28Å; L451-H465 WeakPolarHBondContact CD1-O 3.21Å; L451-H465 HydrophobicContact CD2-CB 4.38Å; L451-T505 HydrophobicContact CD1-CG2 3.65Å; L451-T505 HydrophobicContact CD2-CG2 3.95Å; L451-T505 HydrophobicContact CG-CG2 4.47Å; L451-L521 HydrophobicContact CD2-CD2 4.39Å
452	A	94.5	Very high	92.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.8	-41.9	174.7	0	0	0	0	0	112.4	A185 I189 I448 Q449 A456 F466	A185-A452 HydrophobicContact CB-CB 4.26Å; I189-A452 HydrophobicContact CG1-CB 4.4Å; I448-A452 PolarHBondContact O-N 2.8Å; Q449-A452 PolarHBondContact O-N 3.23Å; A452-A456 WeakPolarHBondContact O-CB 3.17Å; A452-A456 PolarHBondContact O-N 3.5Å; A452-F466 HydrophobicContact CB-CB 4.25Å; A452-F466 HydrophobicContact CB-CD2 3.62Å; A452-F466 HydrophobicContact CB-CE2 4.23Å; A452-F466 HydrophobicContact CB-CG 4.11Å
453	F	93.3	Very high	92.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.7	-47.4	176.3	178.2	-114.4	0	0	0	111.8	I188 H192 L195 L196 I336 Q449 F450 L451 D455 A456 C457 L526	I188-F453 HydrophobicContact CG2-CB 3.63Å; I188-F453 HydrophobicContact CG2-CD2 4.05Å; I188-F453 HydrophobicContact CG2-CG 4.32Å; H192-F453 HydrophobicContact CB-CD2 4.19Å; H192-F453 HydrophobicContact CB-CE2 4.29Å; H192-F453 WeakPolarHBondContact O-CE2 3.41Å; L195-F453 HydrophobicContact CB-CD2 4.35Å; L195-F453 HydrophobicContact CB-CE2 3.67Å; L195-F453 HydrophobicContact CB-CZ 4.35Å; L196-F453 HydrophobicContact CB-CE2 4.46Å; L196-F453 HydrophobicContact CB-CZ 4.18Å; L196-F453 HydrophobicContact CD1-CZ 4.24Å; I336-F453 HydrophobicContact CD1-CD1 3.93Å; I336-F453 HydrophobicContact CD1-CD2 3.88Å; I336-F453 HydrophobicContact CD1-CE1 3.83Å; I336-F453 HydrophobicContact CD1-CE2 3.83Å; I336-F453 HydrophobicContact CD1-CG 3.92Å; I336-F453 HydrophobicContact CD1-CZ 3.8Å; I336-F453 HydrophobicContact CG2-CD1 3.51Å; I336-F453 HydrophobicContact CG2-CE1 3.82Å; I336-F453 HydrophobicContact CG2-CG 4.23Å; Q449-F453 WeakPolarHBondContact O-CB 3.25Å; Q449-F453 PolarHBondContact O-N 2.82Å; F450-F453 PolarHBondContact O-N 2.65Å; L451-F453 VanDerWaalsContact C-N 3.3Å; L451-F453 PolarHBondContact O-N 3.02Å; F453-D455 VanDerWaalsContact C-N 3.33Å; F453-D455 PolarHBondContact O-N 2.81Å; F453-A456 PolarHBondContact O-N 3.47Å; F453-C457 PolarHBondContact O-N 3.36Å; F453-C457 PolarHBondContact O-SG 3.34Å; F453-C457 VanDerWaalsContact O-SG 3.34Å; F453-L526 HydrophobicContact CD1-CD2 4.03Å; F453-L526 HydrophobicContact CE1-CD2 3.3Å; F453-L526 HydrophobicContact CZ-CD2 3.92Å
454	Y	92.3	Very high	92.7	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-58.6	-46.3	177.2	-177.3	-90.5	0	0	0	111.5	F450 L451 A456 C457 W458 H465 E517 L520 L521	F450-Y454 WeakPolarHBondContact O-CB 3.25Å; F450-Y454 PolarHBondContact O-N 2.97Å; L451-Y454 PolarHBondContact O-N 3.26Å; Y454-A456 VanDerWaalsContact C-N 3.32Å; Y454-A456 PolarHBondContact O-N 3.28Å; Y454-C457 PolarHBondContact O-N 3.33Å; Y454-W458 AromaticContact CD2-CD1 3.74Å; Y454-W458 AromaticContact CD2-NE1 3.97Å; Y454-W458 AromaticContact CE1-CD1 3.66Å; Y454-W458 HydrophobicContact CE1-CG 4.36Å; Y454-W458 AromaticContact CE2-CD1 3.36Å; Y454-W458 AromaticContact CE2-NE1 3.31Å; Y454-W458 VanDerWaalsContact CE2-NE1 3.31Å; Y454-W458 AromaticContact CZ-CD1 3.32Å; Y454-W458 AromaticContact CZ-NE1 3.53Å; Y454-W458 PolarHBondContact O-N 3.46Å; Y454-H465 AromaticContact CD1-ND1 3.96Å; Y454-E517 PolarHBondContact OH-OE1 3.27Å; Y454-L520 WeakPolarHBondContact OH-CD2 2.86Å; Y454-L521 HydrophobicContact CD1-CD2 3.54Å; Y454-L521 HydrophobicContact CD1-CG 4.2Å; Y454-L521 HydrophobicContact CD2-CD2 3.58Å; Y454-L521 HydrophobicContact CD2-CG 4.45Å; Y454-L521 HydrophobicContact CE1-CD1 4.28Å; Y454-L521 HydrophobicContact CE1-CD2 3.61Å; Y454-L521 HydrophobicContact CE1-CG 3.76Å; Y454-L521 HydrophobicContact CE2-CD2 3.66Å; Y454-L521 HydrophobicContact CE2-CG 4.04Å; Y454-L521 HydrophobicContact CG-CD2 3.5Å
455	D	93.8	Very high	92.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61	-40.5	178.4	-76.8	6.1	0	0	0	112.2	L451 F453 R459 T460 Y463 R464 H465 F466	L451-D455 VanDerWaalsContact O-CB 3.29Å; L451-D455 WeakPolarHBondContact O-CB 2.84Å; L451-D455 PolarHBondContact O-N 2.95Å; F453-D455 VanDerWaalsContact C-N 3.33Å; F453-D455 PolarHBondContact O-N 2.81Å; D455-R459 CarbonylContact O-C 3.47Å; D455-R459 VanDerWaalsContact O-CA 3.31Å; D455-R459 WeakPolarHBondContact O-CA 3.35Å; D455-R459 PolarHBondContact O-N 2.75Å; D455-T460 WeakPolarHBondContact CA-OG1 3.41Å; D455-T460 WeakPolarHBondContact CB-OG1 3.38Å; D455-T460 PolarHBondContact O-N 3.34Å; D455-T460 PolarHBondContact O-OG1 3.17Å; D455-T460 PolarHBondContact OD1-OG1 2.95Å; D455-Y463 HydrophobicContact CB-CD1 3.66Å; D455-Y463 HydrophobicContact CB-CE1 4.43Å; D455-Y463 HydrophobicContact CB-CG 4.43Å; D455-Y463 VanDerWaalsContact OD2-CA 3.27Å; D455-Y463 WeakPolarHBondContact OD2-CA 3.13Å; D455-R464 PolarHBondContact OD2-N 2.8Å; D455-H465 VanDerWaalsContact OD1-CB 3.28Å; D455-H465 WeakPolarHBondContact OD1-CB 3.41Å; D455-H465 IonicContact OD1-CE1 3.94Å; D455-H465 IonicContact OD1-CG 3.98Å; D455-H465 VanDerWaalsContact OD1-CG 3.26Å; D455-H465 IonicContact OD1-ND1 3.02Å; D455-H465 PolarHBondContact OD1-ND1 2.81Å; D455-H465 WeakPolarHBondContact OD2-CA 3.38Å; D455-H465 PolarHBondContact OD2-N 3.4Å; D455-F466 PolarHBondContact OD2-N 3.32Å
456	A	92.7	Very high	92.7	Very high	3 Å²	3	38.1 Å²	38.1	3%	0.025	16%	0.162	C	C	.	.	H	α-helix	trans	-65.9	-44.8	175	0	0	0	0	0	111.8	H192 A452 F453 Y454 R459 Y463	H192-A456 HydrophobicContact CB-CB 3.68Å; A452-A456 WeakPolarHBondContact O-CB 3.17Å; A452-A456 PolarHBondContact O-N 3.5Å; F453-A456 PolarHBondContact O-N 3.47Å; Y454-A456 VanDerWaalsContact C-N 3.32Å; Y454-A456 PolarHBondContact O-N 3.28Å; A456-R459 PolarHBondContact O-N 3.14Å; A456-Y463 HydrophobicContact CB-CE1 4.13Å
457	C	90.5	Very high	92.8	Very high	20 Å²	20	43.5 Å²	43.5	14%	0.135	18%	0.181	C	C	.	.	H	α-helix	trans	-64.6	-42.2	-179.8	-71.8	0	0	0	0	113.1	F453 Y454 R459 L526 P527	F453-C457 PolarHBondContact O-N 3.36Å; F453-C457 PolarHBondContact O-SG 3.34Å; F453-C457 VanDerWaalsContact O-SG 3.34Å; Y454-C457 PolarHBondContact O-N 3.33Å; C457-R459 VanDerWaalsContact C-N 3.33Å; C457-L526 HydrophobicContact CB-CD2 4.22Å; C457-P527 HydrophobicContact CB-CG 4.32Å
458	W	88.6	Confident	92.9	Very high	91 Å²	91	43.5 Å²	43.5	35%	0.345	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	1.9	179.1	-74.1	105.2	0	0	0	113.6	Y454 T460 L520 S525 P527	Y454-W458 AromaticContact CD2-CD1 3.74Å; Y454-W458 AromaticContact CD2-NE1 3.97Å; Y454-W458 AromaticContact CE1-CD1 3.66Å; Y454-W458 HydrophobicContact CE1-CG 4.36Å; Y454-W458 AromaticContact CE2-CD1 3.36Å; Y454-W458 AromaticContact CE2-NE1 3.31Å; Y454-W458 VanDerWaalsContact CE2-NE1 3.31Å; Y454-W458 AromaticContact CZ-CD1 3.32Å; Y454-W458 AromaticContact CZ-NE1 3.53Å; Y454-W458 PolarHBondContact O-N 3.46Å; W458-T460 HydrophobicContact CB-CG2 3.99Å; W458-T460 PolarHBondContact O-N 3.42Å; W458-L520 HydrophobicContact CH2-CD2 4.47Å; W458-L520 HydrophobicContact CZ2-CD2 3.95Å; W458-S525 PolarHBondContact NE1-O 3.11Å; W458-P527 HydrophobicContact CD2-CG 3.96Å; W458-P527 HydrophobicContact CE3-CG 4.23Å; W458-P527 HydrophobicContact CG-CG 4.47Å; W458-P527 HydrophobicContact CH2-CG 4.28Å; W458-P527 HydrophobicContact CZ2-CG 4.01Å; W458-P527 HydrophobicContact CZ3-CG 4.39Å
459	R	89.2	Confident	92.9	Very high	206 Å²	206	43.5 Å²	43.5	78%	0.777	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.6	43.4	-173.7	-62.4	-176	175.6	175.7	-0.8	112	D455 A456 C457	D455-R459 CarbonylContact O-C 3.47Å; D455-R459 VanDerWaalsContact O-CA 3.31Å; D455-R459 WeakPolarHBondContact O-CA 3.35Å; D455-R459 PolarHBondContact O-N 2.75Å; A456-R459 PolarHBondContact O-N 3.14Å; C457-R459 VanDerWaalsContact C-N 3.33Å
460	T	89.3	Confident	93	Very high	15 Å²	15	43.8 Å²	43.8	9%	0.092	18%	0.183	C	C	.	.			trans	-60.6	137.1	179.7	61	0	0	0	0	109.4	D455 W458 Y462 Y463	D455-T460 WeakPolarHBondContact CA-OG1 3.41Å; D455-T460 WeakPolarHBondContact CB-OG1 3.38Å; D455-T460 PolarHBondContact O-N 3.34Å; D455-T460 PolarHBondContact O-OG1 3.17Å; D455-T460 PolarHBondContact OD1-OG1 2.95Å; W458-T460 HydrophobicContact CB-CG2 3.99Å; W458-T460 PolarHBondContact O-N 3.42Å; T460-Y462 PolarHBondContact O-N 3.42Å; T460-Y463 PolarHBondContact O-N 2.79Å
461	P	87.7	Confident	93.3	Very high	67 Å²	67	47.7 Å²	47.7	44%	0.435	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-61.1	132.2	-176.3	25.9	-34.4	0	0	0	110.6	Y463 R464	P461-Y463 PolarHBondContact O-N 2.83Å; P461-Y463 VanDerWaalsContact O-N 3.09Å; P461-R464 PolarHBondContact O-N 2.84Å
462	Y	90.7	Very high	93.4	Very high	209 Å²	209	47.7 Å²	47.7	82%	0.82	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	58.2	17.7	175.4	-50.4	-75.4	0	0	0	116.4	T460 R464 W467	T460-Y462 PolarHBondContact O-N 3.42Å; Y462-R464 VanDerWaalsContact C-N 3.26Å; Y462-R464 PolarHBondContact O-N 3.02Å; Y462-W467 VanDerWaalsContact O-CD1 3.25Å
463	Y	93.6	Very high	93.5	Very high	83 Å²	83	47.7 Å²	47.7	33%	0.325	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	52.8	45.9	-175.6	-58.7	-88.5	0	0	0	112.2	I189 D455 A456 T460 P461 H465 F466 W467	I189-Y463 HydrophobicContact CD1-CD1 3.93Å; I189-Y463 HydrophobicContact CD1-CE1 3.77Å; I189-Y463 HydrophobicContact CD1-CG 4.45Å; I189-Y463 HydrophobicContact CG1-CD1 4.27Å; I189-Y463 HydrophobicContact CG1-CE1 3.78Å; I189-Y463 HydrophobicContact CG2-CE1 3.98Å; I189-Y463 VanDerWaalsContact CG2-OH 3.23Å; I189-Y463 WeakPolarHBondContact CG2-OH 3.46Å; D455-Y463 HydrophobicContact CB-CD1 3.66Å; D455-Y463 HydrophobicContact CB-CE1 4.43Å; D455-Y463 HydrophobicContact CB-CG 4.43Å; D455-Y463 VanDerWaalsContact OD2-CA 3.27Å; D455-Y463 WeakPolarHBondContact OD2-CA 3.13Å; A456-Y463 HydrophobicContact CB-CE1 4.13Å; T460-Y463 PolarHBondContact O-N 2.79Å; P461-Y463 PolarHBondContact O-N 2.83Å; P461-Y463 VanDerWaalsContact O-N 3.09Å; Y463-H465 VanDerWaalsContact C-N 3.32Å; Y463-H465 PolarHBondContact O-N 3.49Å; Y463-F466 WeakPolarHBondContact O-CB 3.43Å; Y463-F466 PolarHBondContact O-N 2.78Å; Y463-W467 VanDerWaalsContact O-CD1 3.28Å; Y463-W467 PolarHBondContact O-N 3.08Å
464	R	93.2	Very high	93.7	Very high	62 Å²	62	49.1 Å²	49.1	23%	0.234	21%	0.213	C	C	.	.	H	α-helix	trans	-58	-40.4	-170.7	177.8	173.4	56.1	-127.1	-20.6	113	D455 P461 Y462 G468 I508 C512 D513	D455-R464 PolarHBondContact OD2-N 2.8Å; P461-R464 PolarHBondContact O-N 2.84Å; Y462-R464 VanDerWaalsContact C-N 3.26Å; Y462-R464 PolarHBondContact O-N 3.02Å; R464-G468 PolarHBondContact O-N 2.87Å; R464-I508 HydrophobicContact CG-CG2 3.86Å; R464-C512 VanDerWaalsContact CD-CB 3.47Å; R464-D513 IonicContact CZ-OD1 3.88Å; R464-D513 IonicContact CZ-OD2 2.63Å; R464-D513 IonicContact NE-OD2 2.66Å; R464-D513 PolarHBondContact NE-OD2 3.31Å; R464-D513 IonicContact NH1-OD1 3.5Å; R464-D513 IonicContact NH2-OD1 3.76Å; R464-D513 PolarHBondContact NH2-OD1 3.16Å; R464-D513 IonicContact NH2-OD2 3.26Å; R464-D513 PolarHBondContact NH2-OD2 3.35Å
465	H	94.4	Very high	93.9	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-72.4	-39.2	-178.6	-48.8	126.2	0	0	0	110.8	L451 Y454 D455 Y463 G468 G469 V509 D513	L451-H465 HydrophobicContact CB-CB 4.28Å; L451-H465 WeakPolarHBondContact CD1-O 3.21Å; L451-H465 HydrophobicContact CD2-CB 4.38Å; Y454-H465 AromaticContact CD1-ND1 3.96Å; D455-H465 VanDerWaalsContact OD1-CB 3.28Å; D455-H465 WeakPolarHBondContact OD1-CB 3.41Å; D455-H465 IonicContact OD1-CE1 3.94Å; D455-H465 IonicContact OD1-CG 3.98Å; D455-H465 VanDerWaalsContact OD1-CG 3.26Å; D455-H465 IonicContact OD1-ND1 3.02Å; D455-H465 PolarHBondContact OD1-ND1 2.81Å; D455-H465 WeakPolarHBondContact OD2-CA 3.38Å; D455-H465 PolarHBondContact OD2-N 3.4Å; Y463-H465 VanDerWaalsContact C-N 3.32Å; Y463-H465 PolarHBondContact O-N 3.49Å; H465-G468 PolarHBondContact O-N 2.96Å; H465-G469 PolarHBondContact O-N 3.09Å; H465-V509 VanDerWaalsContact CD2-CG2 3.42Å; H465-V509 WeakPolarHBondContact CD2-CG2 2.8Å; H465-D513 IonicContact CD2-OD2 3.37Å; H465-D513 IonicContact CE1-OD2 3.76Å; H465-D513 IonicContact NE2-OD2 2.59Å; H465-D513 PolarHBondContact NE2-OD2 2.85Å
466	F	95.9	Very high	94	Very high	7 Å²	7	52.5 Å²	52.5	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-56.1	-52.2	172.4	167.9	-105.7	0	0	0	112.1	I181 L182 A185 I448 A452 D455 Y463 G468 G469 L470	I181-F466 HydrophobicContact CG2-CE2 4.38Å; L182-F466 HydrophobicContact CD2-CE1 4.26Å; L182-F466 HydrophobicContact CD2-CZ 3.98Å; A185-F466 HydrophobicContact CB-CD2 4.3Å; A185-F466 HydrophobicContact CB-CE1 4.43Å; A185-F466 HydrophobicContact CB-CE2 3.43Å; A185-F466 VanDerWaalsContact CB-CE2 3.43Å; A185-F466 HydrophobicContact CB-CZ 3.5Å; A185-F466 VanDerWaalsContact CB-CZ 3.5Å; I448-F466 HydrophobicContact CG2-CD2 3.47Å; I448-F466 VanDerWaalsContact CG2-CD2 3.47Å; I448-F466 HydrophobicContact CG2-CE2 3.47Å; I448-F466 VanDerWaalsContact CG2-CE2 3.47Å; A452-F466 HydrophobicContact CB-CB 4.25Å; A452-F466 HydrophobicContact CB-CD2 3.62Å; A452-F466 HydrophobicContact CB-CE2 4.23Å; A452-F466 HydrophobicContact CB-CG 4.11Å; D455-F466 PolarHBondContact OD2-N 3.32Å; Y463-F466 WeakPolarHBondContact O-CB 3.43Å; Y463-F466 PolarHBondContact O-N 2.78Å; F466-G468 PolarHBondContact O-N 3.14Å; F466-G469 PolarHBondContact O-N 3.17Å; F466-L470 PolarHBondContact O-N 3.46Å
467	W	96.5	Very high	94.1	Very high	140 Å²	140	52.7 Å²	52.7	53%	0.53	23%	0.231	S	C	.	.	H	α-helix	trans	-63.9	-32.8	177.7	-76.8	110	0	0	0	112.3	L182 Y462 Y463 L470 L471	L182-W467 HydrophobicContact CD2-CH2 4.31Å; Y462-W467 VanDerWaalsContact O-CD1 3.25Å; Y463-W467 VanDerWaalsContact O-CD1 3.28Å; Y463-W467 PolarHBondContact O-N 3.08Å; W467-L470 HydrophobicContact CE3-CD2 3.81Å; W467-L470 HydrophobicContact CH2-CD2 4.48Å; W467-L470 HydrophobicContact CZ3-CD2 3.59Å; W467-L470 PolarHBondContact O-N 3.06Å; W467-L471 WeakPolarHBondContact O-CB 3.46Å; W467-L471 PolarHBondContact O-N 3.22Å
468	G	96.2	Very high	94.3	Very high	1 Å²	1	56 Å²	56	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-65.3	-43.9	173.1	0	0	0	0	0	113.9	R464 H465 F466 L471 G472 V504	R464-G468 PolarHBondContact O-N 2.87Å; H465-G468 PolarHBondContact O-N 2.96Å; F466-G468 PolarHBondContact O-N 3.14Å; G468-L471 PolarHBondContact O-N 3.02Å; G468-G472 PolarHBondContact O-N 2.96Å; G468-V504 WeakPolarHBondContact O-CG1 3.41Å
469	G	96.8	Very high	94.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.6	-42.6	173	0	0	0	0	0	112	H465 F466 L471 G472 Y473 T505	H465-G469 PolarHBondContact O-N 3.09Å; F466-G469 PolarHBondContact O-N 3.17Å; G469-L471 PolarHBondContact O-N 3.05Å; G469-G472 PolarHBondContact O-N 3.08Å; G469-Y473 PolarHBondContact O-N 3.34Å; G469-T505 WeakPolarHBondContact CA-OG1 3.46Å
470	L	97.4	Very high	94.7	Very high	9 Å²	9	43 Å²	43	5%	0.047	20%	0.202	C	C	.	.	H	α-helix	trans	-64.2	-40.4	176.8	-170.8	64.1	0	0	0	112.1	V178 I181 L182 F466 W467 Y473 S474	V178-L470 HydrophobicContact CG1-CD1 4.41Å; I181-L470 HydrophobicContact CG2-CD1 4.2Å; L182-L470 HydrophobicContact CD2-CD2 3.96Å; F466-L470 PolarHBondContact O-N 3.46Å; W467-L470 HydrophobicContact CE3-CD2 3.81Å; W467-L470 HydrophobicContact CH2-CD2 4.48Å; W467-L470 HydrophobicContact CZ3-CD2 3.59Å; W467-L470 PolarHBondContact O-N 3.06Å; L470-Y473 HydrophobicContact CD1-CD1 4.45Å; L470-Y473 WeakPolarHBondContact O-CB 3.44Å; L470-Y473 PolarHBondContact O-N 3.32Å; L470-S474 PolarHBondContact O-N 3.4Å; L470-S474 PolarHBondContact O-OG 3.38Å
471	L	97.4	Very high	94.7	Very high	87 Å²	87	43.3 Å²	43.3	46%	0.455	20%	0.203	S	C	.	.	H	α-helix	trans	-62.2	-42.4	173.9	179.1	63.9	0	0	0	111.6	W467 G468 G469 Y473 S474 L475 V504 I508	W467-L471 WeakPolarHBondContact O-CB 3.46Å; W467-L471 PolarHBondContact O-N 3.22Å; G468-L471 PolarHBondContact O-N 3.02Å; G469-L471 PolarHBondContact O-N 3.05Å; L471-Y473 VanDerWaalsContact C-N 3.32Å; L471-Y473 PolarHBondContact O-N 3Å; L471-S474 WeakPolarHBondContact O-CB 3.37Å; L471-S474 PolarHBondContact O-N 3.41Å; L471-L475 HydrophobicContact CG-CD1 4.31Å; L471-L475 WeakPolarHBondContact O-CG 3.4Å; L471-L475 PolarHBondContact O-N 3.13Å; L471-V504 HydrophobicContact CB-CG1 4.38Å; L471-V504 HydrophobicContact CD2-CG1 4.24Å; L471-V504 HydrophobicContact CG-CG1 4.28Å; L471-I508 HydrophobicContact CD2-CD1 4.38Å
472	G	97.4	Very high	94.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.5	-41.8	173.8	0	0	0	0	0	112.5	G468 G469 L475 G476 F500	G468-G472 PolarHBondContact O-N 2.96Å; G469-G472 PolarHBondContact O-N 3.08Å; G472-L475 PolarHBondContact O-N 2.98Å; G472-G476 PolarHBondContact O-N 3.47Å; G472-F500 WeakPolarHBondContact O-CB 3.31Å
473	Y	97.5	Very high	94.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.8	-42.4	173	179.2	-104.2	0	0	0	112.3	Y174 A177 V178 I181 P444 I448 G469 L470 L471 G476 F477 L497 T501	Y174-Y473 HydrophobicContact CD2-CE1 4.22Å; Y174-Y473 AromaticContact CE2-CD1 3.84Å; Y174-Y473 HydrophobicContact CE2-CD1 3.84Å; Y174-Y473 AromaticContact CE2-CE1 3.61Å; Y174-Y473 HydrophobicContact CE2-CE1 3.61Å; A177-Y473 HydrophobicContact CB-CE1 4.39Å; A177-Y473 WeakPolarHBondContact CB-OH 3.42Å; V178-Y473 HydrophobicContact CG2-CE1 4.31Å; I181-Y473 HydrophobicContact CD1-CD1 4.03Å; I181-Y473 HydrophobicContact CD1-CE1 3.86Å; I181-Y473 HydrophobicContact CD1-CG 4.49Å; P444-Y473 HydrophobicContact CB-CD2 3.55Å; P444-Y473 HydrophobicContact CB-CE2 3.85Å; P444-Y473 HydrophobicContact CG-CD2 3.99Å; P444-Y473 HydrophobicContact CG-CE2 3.92Å; I448-Y473 HydrophobicContact CD1-CG 4.25Å; G469-Y473 PolarHBondContact O-N 3.34Å; L470-Y473 HydrophobicContact CD1-CD1 4.45Å; L470-Y473 WeakPolarHBondContact O-CB 3.44Å; L470-Y473 PolarHBondContact O-N 3.32Å; L471-Y473 VanDerWaalsContact C-N 3.32Å; L471-Y473 PolarHBondContact O-N 3Å; Y473-G476 PolarHBondContact O-N 2.93Å; Y473-F477 WeakPolarHBondContact O-CB 3.5Å; Y473-F477 PolarHBondContact O-N 3.04Å; Y473-L497 HydrophobicContact CD2-CD2 3.81Å; Y473-L497 HydrophobicContact CE2-CD1 4.06Å; Y473-L497 HydrophobicContact CE2-CD2 3.72Å; Y473-L497 HydrophobicContact CE2-CG 4.36Å; Y473-T501 WeakPolarHBondContact CA-OG1 3.2Å; Y473-T501 PolarHBondContact N-OG1 3.25Å
474	S	96.6	Very high	94.3	Very high	29 Å²	29	36.3 Å²	36.3	20%	0.203	18%	0.179	C	C	.	.	H	α-helix	trans	-57.9	-48.9	173.7	-50.3	0	0	0	0	112.5	Y174 L470 L471 F477 I478	Y174-S474 WeakPolarHBondContact OH-CA 3.35Å; Y174-S474 WeakPolarHBondContact OH-CB 3.29Å; Y174-S474 PolarHBondContact OH-OG 2.92Å; L470-S474 PolarHBondContact O-N 3.4Å; L470-S474 PolarHBondContact O-OG 3.38Å; L471-S474 WeakPolarHBondContact O-CB 3.37Å; L471-S474 PolarHBondContact O-N 3.41Å; S474-F477 PolarHBondContact O-N 3.27Å; S474-I478 WeakPolarHBondContact O-CG1 3.33Å; S474-I478 PolarHBondContact O-N 3.26Å
475	L	97.1	Very high	93.7	Very high	73 Å²	73	36.5 Å²	36.5	38%	0.382	18%	0.182	S	C	.	.	H	α-helix	trans	-66.3	-41.1	-178.3	-69.9	173.8	0	0	0	111.6	L471 G472 F477 I478 A479 F500 V504	L471-L475 HydrophobicContact CG-CD1 4.31Å; L471-L475 WeakPolarHBondContact O-CG 3.4Å; L471-L475 PolarHBondContact O-N 3.13Å; G472-L475 PolarHBondContact O-N 2.98Å; L475-F477 VanDerWaalsContact C-N 3.31Å; L475-F477 PolarHBondContact O-N 2.88Å; L475-I478 PolarHBondContact O-N 3.12Å; L475-A479 PolarHBondContact O-N 3.38Å; L475-F500 HydrophobicContact CB-CD1 3.77Å; L475-F500 HydrophobicContact CB-CE1 4.33Å; L475-V504 HydrophobicContact CD1-CG2 4.02Å
476	G	96.2	Very high	93.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.6	-40.8	173.6	0	0	0	0	0	112.2	G472 Y473 A479 T480 Y496	G472-G476 PolarHBondContact O-N 3.47Å; Y473-G476 PolarHBondContact O-N 2.93Å; G476-A479 WeakPolarHBondContact O-CB 3.4Å; G476-A479 PolarHBondContact O-N 2.95Å; G476-T480 PolarHBondContact O-N 3.27Å; G476-T480 PolarHBondContact O-OG1 3.06Å; G476-T480 VanDerWaalsContact O-OG1 3.1Å; G476-Y496 WeakPolarHBondContact O-CB 3.38Å
477	F	94.7	Very high	92.7	Very high	6 Å²	6	43.7 Å²	43.7	3%	0.026	23%	0.226	C	C	.	.	H	α-helix	trans	-67.1	-41	178.7	-167.8	-93.4	0	0	0	112.4	W170 Y174 L436 Y473 S474 L475 A479 T480 I481 L497	W170-F477 HydrophobicContact CE3-CE1 4.29Å; W170-F477 HydrophobicContact CE3-CE2 4.43Å; W170-F477 AromaticContact CE3-CZ 3.68Å; W170-F477 HydrophobicContact CE3-CZ 3.68Å; W170-F477 HydrophobicContact CZ3-CE2 4.49Å; W170-F477 HydrophobicContact CZ3-CZ 4.16Å; Y174-F477 VanDerWaalsContact CB-CE1 3.41Å; Y174-F477 HydrophobicContact CD2-CB 3.88Å; Y174-F477 AromaticContact CD2-CD1 3.41Å; Y174-F477 HydrophobicContact CD2-CD1 3.41Å; Y174-F477 VanDerWaalsContact CD2-CD1 3.41Å; Y174-F477 AromaticContact CD2-CD2 3.83Å; Y174-F477 HydrophobicContact CD2-CD2 3.83Å; Y174-F477 AromaticContact CD2-CE1 3.79Å; Y174-F477 HydrophobicContact CD2-CE1 3.79Å; Y174-F477 HydrophobicContact CD2-CE2 4.17Å; Y174-F477 AromaticContact CD2-CG 3.42Å; Y174-F477 HydrophobicContact CD2-CG 3.42Å; Y174-F477 VanDerWaalsContact CD2-CG 3.42Å; Y174-F477 HydrophobicContact CD2-CZ 4.13Å; Y174-F477 HydrophobicContact CE2-CB 3.85Å; Y174-F477 HydrophobicContact CE2-CD1 4.18Å; Y174-F477 HydrophobicContact CE2-CD2 4.5Å; Y174-F477 AromaticContact CE2-CG 3.93Å; Y174-F477 HydrophobicContact CE2-CG 3.93Å; Y174-F477 AromaticContact CG-CD1 3.77Å; Y174-F477 HydrophobicContact CG-CD1 3.77Å; Y174-F477 AromaticContact CG-CE1 3.84Å; Y174-F477 HydrophobicContact CG-CE1 3.84Å; Y174-F477 HydrophobicContact CG-CG 4.25Å; Y174-F477 HydrophobicContact CG-CZ 4.35Å; L436-F477 HydrophobicContact CD1-CE2 4.12Å; L436-F477 HydrophobicContact CD2-CE2 3.8Å; L436-F477 HydrophobicContact CD2-CZ 4.33Å; Y473-F477 WeakPolarHBondContact O-CB 3.5Å; Y473-F477 PolarHBondContact O-N 3.04Å; S474-F477 PolarHBondContact O-N 3.27Å; L475-F477 VanDerWaalsContact C-N 3.31Å; L475-F477 PolarHBondContact O-N 2.88Å; F477-A479 VanDerWaalsContact C-N 3.31Å; F477-A479 PolarHBondContact O-N 2.78Å; F477-T480 WeakPolarHBondContact O-CB 3.19Å; F477-T480 PolarHBondContact O-N 3.27Å; F477-I481 HydrophobicContact CD1-CD1 3.67Å; F477-I481 HydrophobicContact CD1-CG1 4.23Å; F477-I481 HydrophobicContact CE1-CD1 3.5Å; F477-I481 HydrophobicContact CE1-CG1 4.01Å; F477-I481 PolarHBondContact O-N 2.86Å; F477-I481 VanDerWaalsContact O-N 3.07Å; F477-L497 HydrophobicContact CB-CD2 3.85Å; F477-L497 HydrophobicContact CD2-CD2 4.24Å
478	I	94.1	Very high	91.7	Very high	89 Å²	89	43.5 Å²	43.5	46%	0.456	24%	0.236	S	C	.	.	H	α-helix	trans	-59.8	-44.1	173.8	-68.1	164.8	0	0	0	110.2	S474 L475 T480 I481 I482	S474-I478 WeakPolarHBondContact O-CG1 3.33Å; S474-I478 PolarHBondContact O-N 3.26Å; L475-I478 PolarHBondContact O-N 3.12Å; I478-T480 VanDerWaalsContact C-N 3.33Å; I478-T480 PolarHBondContact O-N 2.89Å; I478-I481 PolarHBondContact O-N 2.93Å; I478-I482 HydrophobicContact CG2-CD1 3.86Å; I478-I482 HydrophobicContact CG2-CG1 4.47Å; I478-I482 WeakPolarHBondContact O-CG1 3.45Å; I478-I482 PolarHBondContact O-N 3.38Å
479	A	94	Very high	90.7	Very high	16 Å²	16	47.4 Å²	47.4	13%	0.132	26%	0.26	C	S	.	.	H	α-helix	trans	-60	-42	175.9	0	0	0	0	0	112	L475 G476 F477 I481 I482 M483 Y496 F500	L475-A479 PolarHBondContact O-N 3.38Å; G476-A479 WeakPolarHBondContact O-CB 3.4Å; G476-A479 PolarHBondContact O-N 2.95Å; F477-A479 VanDerWaalsContact C-N 3.31Å; F477-A479 PolarHBondContact O-N 2.78Å; A479-I481 PolarHBondContact O-N 2.86Å; A479-I482 PolarHBondContact O-N 2.77Å; A479-M483 WeakPolarHBondContact O-CB 3.38Å; A479-M483 WeakPolarHBondContact O-CG 3.28Å; A479-M483 PolarHBondContact O-N 2.83Å; A479-Y496 HydrophobicContact CB-CD1 4.12Å; A479-Y496 HydrophobicContact CB-CG 4.41Å; A479-F500 HydrophobicContact CB-CE2 4.09Å; A479-F500 HydrophobicContact CB-CZ 4.12Å
480	T	91.5	Very high	89.6	Confident	8 Å²	8	50.1 Å²	50.1	5%	0.049	28%	0.278	C	S	.	.	H	α-helix	trans	-58.7	-44.9	174.6	-54.8	0	0	0	0	112	G476 F477 I478 M483 L484 A493 Y496	G476-T480 PolarHBondContact O-N 3.27Å; G476-T480 PolarHBondContact O-OG1 3.06Å; G476-T480 VanDerWaalsContact O-OG1 3.1Å; F477-T480 WeakPolarHBondContact O-CB 3.19Å; F477-T480 PolarHBondContact O-N 3.27Å; I478-T480 VanDerWaalsContact C-N 3.33Å; I478-T480 PolarHBondContact O-N 2.89Å; T480-M483 PolarHBondContact O-N 3.2Å; T480-L484 VanDerWaalsContact O-CB 3.3Å; T480-L484 WeakPolarHBondContact O-CB 3.23Å; T480-L484 PolarHBondContact O-N 3.34Å; T480-A493 HydrophobicContact CG2-CB 4.33Å; T480-Y496 HydrophobicContact CG2-CD2 4.49Å; T480-Y496 WeakPolarHBondContact OG1-CB 3.36Å
481	I	89.3	Confident	89	Confident	23 Å²	23	51 Å²	51	12%	0.118	28%	0.282	C	S	.	.	H	α-helix	trans	-63.4	-46	178.4	-64.4	164.1	0	0	0	110.9	F167 W170 F477 I478 A479 M483 L484 H485	F167-I481 HydrophobicContact CD1-CG2 3.93Å; F167-I481 HydrophobicContact CE1-CG2 3.55Å; W170-I481 HydrophobicContact CB-CD1 3.96Å; W170-I481 HydrophobicContact CB-CG1 4.18Å; W170-I481 HydrophobicContact CD2-CG1 4.38Å; W170-I481 HydrophobicContact CE3-CG1 4.46Å; W170-I481 HydrophobicContact CG-CG1 4.25Å; F477-I481 HydrophobicContact CD1-CD1 3.67Å; F477-I481 HydrophobicContact CD1-CG1 4.23Å; F477-I481 HydrophobicContact CE1-CD1 3.5Å; F477-I481 HydrophobicContact CE1-CG1 4.01Å; F477-I481 PolarHBondContact O-N 2.86Å; F477-I481 VanDerWaalsContact O-N 3.07Å; I478-I481 PolarHBondContact O-N 2.93Å; A479-I481 PolarHBondContact O-N 2.86Å; I481-M483 VanDerWaalsContact C-N 3.32Å; I481-M483 PolarHBondContact O-N 3.15Å; I481-L484 PolarHBondContact O-N 2.95Å; I481-H485 PolarHBondContact O-N 3.45Å
482	I	90.4	Very high	88.6	Confident	96 Å²	96	46.9 Å²	46.9	49%	0.492	26%	0.261	S	S	.	.	H	α-helix	trans	-58.3	-48.4	178.9	-68.4	167.8	0	0	0	109.6	I478 A479 L484 H485 V486	I478-I482 HydrophobicContact CG2-CD1 3.86Å; I478-I482 HydrophobicContact CG2-CG1 4.47Å; I478-I482 WeakPolarHBondContact O-CG1 3.45Å; I478-I482 PolarHBondContact O-N 3.38Å; A479-I482 PolarHBondContact O-N 2.77Å; I482-L484 PolarHBondContact O-N 2.97Å; I482-H485 PolarHBondContact O-N 2.59Å; I482-V486 HydrophobicContact CG2-CG2 4.38Å; I482-V486 WeakPolarHBondContact O-CG2 3.44Å; I482-V486 PolarHBondContact O-N 3.4Å
483	M	89.3	Confident	88.2	Confident	75 Å²	75	47.4 Å²	47.4	37%	0.369	27%	0.265	S	S	.	.	H	α-helix	trans	-67.7	-37.2	-178.4	-69.9	-63.8	-134	0	0	112.7	A479 T480 I481 H485 V486 T487 Q491 Y496	A479-M483 WeakPolarHBondContact O-CB 3.38Å; A479-M483 WeakPolarHBondContact O-CG 3.28Å; A479-M483 PolarHBondContact O-N 2.83Å; T480-M483 PolarHBondContact O-N 3.2Å; I481-M483 VanDerWaalsContact C-N 3.32Å; I481-M483 PolarHBondContact O-N 3.15Å; M483-H485 VanDerWaalsContact C-N 3.29Å; M483-H485 PolarHBondContact O-N 2.75Å; M483-V486 PolarHBondContact O-N 3.13Å; M483-T487 WeakPolarHBondContact O-CB 3.28Å; M483-T487 WeakPolarHBondContact O-CG2 3.47Å; M483-T487 PolarHBondContact O-N 2.78Å; M483-T487 PolarHBondContact O-OG1 2.8Å; M483-Q491 HydrophobicContact CB-CG 4.17Å; M483-Y496 HydrophobicContact CB-CE1 4.36Å; M483-Y496 HydrophobicContact CB-CE2 4.21Å; M483-Y496 HydrophobicContact CE-CE1 3.98Å; M483-Y496 HydrophobicContact CG-CE1 3.66Å; M483-Y496 HydrophobicContact CG-CE2 4.39Å; M483-Y496 WeakPolarHBondContact CG-OH 3.46Å
484	L	84.4	Confident	88.1	Confident	41 Å²	41	47.7 Å²	47.7	22%	0.215	27%	0.266	C	S	.	.	H	α-helix	trans	-61.2	-40.3	172.8	-178.4	65.6	0	0	0	111.4	W170 T480 I481 I482 N488 V489	W170-L484 HydrophobicContact CH2-CD2 4.14Å; W170-L484 HydrophobicContact CZ2-CD2 3.28Å; T480-L484 VanDerWaalsContact O-CB 3.3Å; T480-L484 WeakPolarHBondContact O-CB 3.23Å; T480-L484 PolarHBondContact O-N 3.34Å; I481-L484 PolarHBondContact O-N 2.95Å; I482-L484 PolarHBondContact O-N 2.97Å; L484-N488 WeakPolarHBondContact O-CA 3.4Å; L484-N488 PolarHBondContact O-N 2.94Å; L484-V489 VanDerWaalsContact CD1-O 3.31Å; L484-V489 WeakPolarHBondContact CD1-O 3.25Å
485	H	81.3	Confident	88	Confident	66 Å²	66	48.6 Å²	48.6	31%	0.306	27%	0.269	S	S	.	.	H	α-helix	trans	-70.4	-40.8	178.9	-169.7	61.2	0	0	0	112.7	H15 M163 I481 I482 M483	H15-H485 AromaticContact CD2-CE1 3.8Å; H15-H485 AromaticContact CD2-NE2 3.71Å; H15-H485 AromaticContact NE2-CE1 3.96Å; M163-H485 WeakPolarHBondContact CE-NE2 3.26Å; I481-H485 PolarHBondContact O-N 3.45Å; I482-H485 PolarHBondContact O-N 2.59Å; M483-H485 VanDerWaalsContact C-N 3.29Å; M483-H485 PolarHBondContact O-N 2.75Å
486	V	86.4	Confident	87.9	Confident	101 Å²	101	46.6 Å²	46.6	61%	0.612	26%	0.256	S	S	*	.	H	α-helix	trans	-68.8	-44.3	179.2	171.3	0	0	0	0	111.3	I482 M483	I482-V486 HydrophobicContact CG2-CG2 4.38Å; I482-V486 WeakPolarHBondContact O-CG2 3.44Å; I482-V486 PolarHBondContact O-N 3.4Å; M483-V486 PolarHBondContact O-N 3.13Å
487	T	83	Confident	87.8	Confident	57 Å²	57	46.6 Å²	46.6	35%	0.35	26%	0.256	S	S	.	.	H	α-helix	trans	-86.8	-20.5	-172.9	60.7	0	0	0	0	113.8	M483 V489 Q491	M483-T487 WeakPolarHBondContact O-CB 3.28Å; M483-T487 WeakPolarHBondContact O-CG2 3.47Å; M483-T487 PolarHBondContact O-N 2.78Å; M483-T487 PolarHBondContact O-OG1 2.8Å; T487-V489 PolarHBondContact O-N 2.79Å; T487-V489 PolarHBondContact OG1-O 2.71Å; T487-Q491 PolarHBondContact OG1-NE2 3.3Å
488	N	75.5	Confident	87.9	Confident	136 Å²	136	46.4 Å²	46.4	73%	0.727	26%	0.256	S	S	*	.			trans	52.2	18.3	-170.7	-64.4	-67.9	0	0	0	114.3	L484	L484-N488 WeakPolarHBondContact O-CA 3.4Å; L484-N488 PolarHBondContact O-N 2.94Å
489	V	74.2	Confident	88	Confident	84 Å²	84	44.4 Å²	44.4	51%	0.509	25%	0.249	S	C	.	.	S	Bend	trans	-123	142.1	178.3	176.2	0	0	0	0	108.3	L484 T487 Q491	L484-V489 VanDerWaalsContact CD1-O 3.31Å; L484-V489 WeakPolarHBondContact CD1-O 3.25Å; T487-V489 PolarHBondContact O-N 2.79Å; T487-V489 PolarHBondContact OG1-O 2.71Å; V489-Q491 PolarHBondContact O-N 3.31Å; V489-Q491 VanDerWaalsContact O-N 3.15Å
490	S	72.9	Confident	88.1	Confident	57 Å²	57	47.7 Å²	47.7	40%	0.399	26%	0.26	S	S	.	.			trans	-52.8	118.6	174.5	-62.6	0	0	0	0	110.8	V358	V358-S490 WeakPolarHBondContact CG1-O 3.44Å
491	Q	85.5	Confident	88.4	Confident	28 Å²	28	47.3 Å²	47.3	13%	0.131	26%	0.258	C	S	.	.			trans	-94.9	143.3	-179.6	-67.7	-63.3	-47.5	0	0	110.6	M483 T487 V489 A493 Y496	M483-Q491 HydrophobicContact CB-CG 4.17Å; T487-Q491 PolarHBondContact OG1-NE2 3.3Å; V489-Q491 PolarHBondContact O-N 3.31Å; V489-Q491 VanDerWaalsContact O-N 3.15Å; Q491-A493 PolarHBondContact O-N 2.88Å; Q491-A493 VanDerWaalsContact O-N 3.17Å; Q491-Y496 HydrophobicContact CB-CE2 4.2Å; Q491-Y496 PolarHBondContact OE1-OH 3.48Å
492	P	88.7	Confident	88.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.262	C	S	.	.			trans	-64.7	113.9	169.1	26.3	-30	0	0	0	108.8	D354 I355 V358 F359 L494 L495	D354-P492 HydrophobicContact CB-CB 4.12Å; D354-P492 VanDerWaalsContact CG-CB 3.46Å; D354-P492 WeakPolarHBondContact OD2-CA 3.06Å; D354-P492 WeakPolarHBondContact OD2-CB 3.45Å; I355-P492 HydrophobicContact CG1-CG 4.49Å; V358-P492 HydrophobicContact CB-CB 4.18Å; V358-P492 HydrophobicContact CB-CG 4.49Å; V358-P492 HydrophobicContact CG2-CB 3.97Å; F359-P492 HydrophobicContact CD2-CG 4.13Å; F359-P492 VanDerWaalsContact CE2-CD 3.42Å; F359-P492 HydrophobicContact CE2-CG 3.45Å; F359-P492 VanDerWaalsContact CE2-CG 3.45Å; F359-P492 HydrophobicContact CZ-CG 3.93Å; P492-L494 VanDerWaalsContact C-N 3.32Å; P492-L494 PolarHBondContact O-N 3.45Å; P492-L495 HydrophobicContact CB-CB 4.23Å; P492-L495 HydrophobicContact CG-CB 3.84Å; P492-L495 HydrophobicContact CG-CD2 3.89Å; P492-L495 VanDerWaalsContact O-CB 3.3Å; P492-L495 WeakPolarHBondContact O-CB 3.49Å; P492-L495 PolarHBondContact O-N 3.1Å
493	A	90.6	Very high	89	Confident	10 Å²	10	46.5 Å²	46.5	8%	0.083	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-36.6	-174	0	0	0	0	0	111.4	D354 D440 T480 Q491 L495 Y496 L497	D354-A493 PolarHBondContact OD2-N 3.29Å; D440-A493 HydrophobicContact CB-CB 4.25Å; T480-A493 HydrophobicContact CG2-CB 4.33Å; Q491-A493 PolarHBondContact O-N 2.88Å; Q491-A493 VanDerWaalsContact O-N 3.17Å; A493-L495 PolarHBondContact O-N 3.25Å; A493-Y496 PolarHBondContact O-N 3.44Å; A493-L497 HydrophobicContact CB-CD1 4.01Å; A493-L497 VanDerWaalsContact O-CG 3.27Å; A493-L497 WeakPolarHBondContact O-CG 3.42Å; A493-L497 PolarHBondContact O-N 3.41Å
494	L	93.6	Very high	89.4	Confident	6 Å²	6	43.9 Å²	43.9	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-66.5	-23.4	-178.4	-67.5	178.7	0	0	0	112.7	F350 D354 I443 P444 P492 Y496 C498	F350-L494 HydrophobicContact CB-CD1 4.05Å; D354-L494 HydrophobicContact CB-CB 4.11Å; D354-L494 HydrophobicContact CB-CD1 4.21Å; D354-L494 PolarHBondContact OD2-N 3.39Å; I443-L494 HydrophobicContact CB-CD2 4.13Å; I443-L494 HydrophobicContact CG2-CD2 4.31Å; P444-L494 HydrophobicContact CG-CD2 4.25Å; P492-L494 VanDerWaalsContact C-N 3.32Å; P492-L494 PolarHBondContact O-N 3.45Å; L494-Y496 PolarHBondContact O-N 3.49Å; L494-C498 VanDerWaalsContact O-CB 3.31Å; L494-C498 WeakPolarHBondContact O-CB 3.46Å; L494-C498 PolarHBondContact O-N 2.92Å; L494-C498 VanDerWaalsContact O-N 3.14Å
495	L	94.4	Very high	89.9	Confident	49 Å²	49	42 Å²	42	26%	0.257	24%	0.237	S	C	.	.	H	α-helix	trans	-57.6	-34.1	174.7	177.6	63.9	0	0	0	112.4	M351 I355 P492 A493 P499	M351-L495 HydrophobicContact CG-CD1 4.48Å; M351-L495 HydrophobicContact SD-CD1 4.44Å; I355-L495 HydrophobicContact CD1-CD1 3.91Å; I355-L495 HydrophobicContact CG1-CD1 4.32Å; P492-L495 HydrophobicContact CB-CB 4.23Å; P492-L495 HydrophobicContact CG-CB 3.84Å; P492-L495 HydrophobicContact CG-CD2 3.89Å; P492-L495 VanDerWaalsContact O-CB 3.3Å; P492-L495 WeakPolarHBondContact O-CB 3.49Å; P492-L495 PolarHBondContact O-N 3.1Å; A493-L495 PolarHBondContact O-N 3.25Å; L495-P499 VanDerWaalsContact O-CD 3.24Å; L495-P499 WeakPolarHBondContact O-CD 3.41Å; L495-P499 WeakPolarHBondContact O-CG 3.29Å
496	Y	95.1	Very high	90.6	Very high	30 Å²	30	42.9 Å²	42.9	12%	0.118	24%	0.241	C	C	.	.	H	α-helix	trans	-100.7	-39.4	178.9	-54.9	-81.8	0	0	0	111.4	G476 A479 T480 M483 Q491 A493 L494 P499 F500	G476-Y496 WeakPolarHBondContact O-CB 3.38Å; A479-Y496 HydrophobicContact CB-CD1 4.12Å; A479-Y496 HydrophobicContact CB-CG 4.41Å; T480-Y496 HydrophobicContact CG2-CD2 4.49Å; T480-Y496 WeakPolarHBondContact OG1-CB 3.36Å; M483-Y496 HydrophobicContact CB-CE1 4.36Å; M483-Y496 HydrophobicContact CB-CE2 4.21Å; M483-Y496 HydrophobicContact CE-CE1 3.98Å; M483-Y496 HydrophobicContact CG-CE1 3.66Å; M483-Y496 HydrophobicContact CG-CE2 4.39Å; M483-Y496 WeakPolarHBondContact CG-OH 3.46Å; Q491-Y496 HydrophobicContact CB-CE2 4.2Å; Q491-Y496 PolarHBondContact OE1-OH 3.48Å; A493-Y496 PolarHBondContact O-N 3.44Å; L494-Y496 PolarHBondContact O-N 3.49Å; Y496-P499 WeakPolarHBondContact O-CD 3.32Å; Y496-F500 WeakPolarHBondContact O-CB 3.46Å; Y496-F500 WeakPolarHBondContact O-CD2 3.22Å; Y496-F500 PolarHBondContact O-N 3.18Å
497	L	95.8	Very high	91.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64	-48.9	-175.9	-65.6	171.1	0	0	0	112.8	D440 P444 Y473 F477 A493 T501	D440-L497 HydrophobicContact CB-CD1 4.07Å; P444-L497 HydrophobicContact CG-CB 4.03Å; Y473-L497 HydrophobicContact CD2-CD2 3.81Å; Y473-L497 HydrophobicContact CE2-CD1 4.06Å; Y473-L497 HydrophobicContact CE2-CD2 3.72Å; Y473-L497 HydrophobicContact CE2-CG 4.36Å; F477-L497 HydrophobicContact CB-CD2 3.85Å; F477-L497 HydrophobicContact CD2-CD2 4.24Å; A493-L497 HydrophobicContact CB-CD1 4.01Å; A493-L497 VanDerWaalsContact O-CG 3.27Å; A493-L497 WeakPolarHBondContact O-CG 3.42Å; A493-L497 PolarHBondContact O-N 3.41Å; L497-T501 VanDerWaalsContact O-CB 3.25Å; L497-T501 WeakPolarHBondContact O-CB 3.5Å; L497-T501 PolarHBondContact O-N 2.82Å; L497-T501 PolarHBondContact O-OG1 2.91Å
498	C	96	Very high	91.6	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.02	23%	0.226	C	C	.	.	H	α-helix	trans	-61.9	-54.1	-176.9	-71	0	0	0	0	113.5	F347 L494 F500 T501 L502	F347-C498 HydrophobicContact CB-CB 3.93Å; F347-C498 HydrophobicContact CD2-CB 3.86Å; F347-C498 WeakPolarHBondContact CD2-O 3.39Å; F347-C498 HydrophobicContact CE2-CB 4.48Å; F347-C498 HydrophobicContact CG-CB 3.86Å; L494-C498 VanDerWaalsContact O-CB 3.31Å; L494-C498 WeakPolarHBondContact O-CB 3.46Å; L494-C498 PolarHBondContact O-N 2.92Å; L494-C498 VanDerWaalsContact O-N 3.14Å; C498-F500 PolarHBondContact O-N 3.34Å; C498-T501 PolarHBondContact O-N 2.75Å; C498-L502 WeakPolarHBondContact O-CB 3.36Å; C498-L502 PolarHBondContact O-N 3.43Å
499	P	95.9	Very high	92.5	Very high	47 Å²	47	35 Å²	35	31%	0.305	19%	0.192	S	C	.	.	H	α-helix	trans	-67.2	-37.6	-177.7	24.3	-33.2	0	0	0	112.7	L495 Y496 L502 S503	L495-P499 VanDerWaalsContact O-CD 3.24Å; L495-P499 WeakPolarHBondContact O-CD 3.41Å; L495-P499 WeakPolarHBondContact O-CG 3.29Å; Y496-P499 WeakPolarHBondContact O-CD 3.32Å; P499-L502 PolarHBondContact O-N 3.07Å; P499-S503 WeakPolarHBondContact O-CB 3.49Å; P499-S503 PolarHBondContact O-N 2.73Å; P499-S503 PolarHBondContact O-OG 2.91Å
500	F	97.2	Very high	93.4	Very high	84 Å²	84	33.3 Å²	33.3	37%	0.368	18%	0.179	S	C	.	.	H	α-helix	trans	-67.2	-43.4	176.9	-83.7	-99.8	0	0	0	111.7	G472 L475 A479 Y496 C498 L502 S503 V504	G472-F500 WeakPolarHBondContact O-CB 3.31Å; L475-F500 HydrophobicContact CB-CD1 3.77Å; L475-F500 HydrophobicContact CB-CE1 4.33Å; A479-F500 HydrophobicContact CB-CE2 4.09Å; A479-F500 HydrophobicContact CB-CZ 4.12Å; Y496-F500 WeakPolarHBondContact O-CB 3.46Å; Y496-F500 WeakPolarHBondContact O-CD2 3.22Å; Y496-F500 PolarHBondContact O-N 3.18Å; C498-F500 PolarHBondContact O-N 3.34Å; F500-L502 VanDerWaalsContact C-N 3.34Å; F500-L502 PolarHBondContact O-N 3.31Å; F500-S503 PolarHBondContact O-N 3.21Å; F500-V504 WeakPolarHBondContact O-CB 3.48Å; F500-V504 VanDerWaalsContact O-CG2 3.28Å; F500-V504 WeakPolarHBondContact O-CG2 3.46Å; F500-V504 PolarHBondContact O-N 3.33Å
501	T	97.2	Very high	94.4	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.4	-47.3	175.9	-57	0	0	0	0	111.1	F347 F447 I448 Y473 L497 C498 T505	F347-T501 HydrophobicContact CE2-CG2 4.12Å; F347-T501 HydrophobicContact CZ-CG2 4.14Å; F447-T501 HydrophobicContact CD1-CG2 3.83Å; F447-T501 HydrophobicContact CE1-CG2 4.25Å; I448-T501 HydrophobicContact CD1-CG2 4.24Å; I448-T501 HydrophobicContact CG1-CG2 4Å; Y473-T501 WeakPolarHBondContact CA-OG1 3.2Å; Y473-T501 PolarHBondContact N-OG1 3.25Å; L497-T501 VanDerWaalsContact O-CB 3.25Å; L497-T501 WeakPolarHBondContact O-CB 3.5Å; L497-T501 PolarHBondContact O-N 2.82Å; L497-T501 PolarHBondContact O-OG1 2.91Å; C498-T501 PolarHBondContact O-N 2.75Å; T501-T505 WeakPolarHBondContact O-CB 3.31Å; T501-T505 PolarHBondContact O-N 3.06Å; T501-T505 PolarHBondContact O-OG1 2.81Å
502	L	96.2	Very high	94.7	Very high	41 Å²	41	37.8 Å²	37.8	22%	0.215	21%	0.208	C	C	.	.	H	α-helix	trans	-69.3	-45.7	179.9	-176.8	64.6	0	0	0	112.6	V340 T344 F347 F447 C498 P499 F500 T505 F506 W518	V340-L502 HydrophobicContact CG1-CD1 4.03Å; T344-L502 HydrophobicContact CG2-CD1 3.53Å; T344-L502 HydrophobicContact CG2-CD2 3.47Å; T344-L502 VanDerWaalsContact CG2-CD2 3.47Å; T344-L502 HydrophobicContact CG2-CG 4.14Å; F347-L502 HydrophobicContact CD2-CB 4.24Å; F347-L502 HydrophobicContact CE2-CB 4.35Å; F447-L502 HydrophobicContact CE2-CD1 4.42Å; F447-L502 HydrophobicContact CZ-CD1 3.91Å; C498-L502 WeakPolarHBondContact O-CB 3.36Å; C498-L502 PolarHBondContact O-N 3.43Å; P499-L502 PolarHBondContact O-N 3.07Å; F500-L502 VanDerWaalsContact C-N 3.34Å; F500-L502 PolarHBondContact O-N 3.31Å; L502-T505 PolarHBondContact O-N 3.06Å; L502-F506 WeakPolarHBondContact O-CB 3.38Å; L502-F506 PolarHBondContact O-N 2.84Å; L502-W518 HydrophobicContact CD1-CH2 4.22Å
503	S	96.1	Very high	94.8	Very high	61 Å²	61	40.3 Å²	40.3	43%	0.427	22%	0.221	S	C	.	.	H	α-helix	trans	-67.6	-42.5	-175.3	-57.6	0	0	0	0	111.9	P499 F500 F506 I507	P499-S503 WeakPolarHBondContact O-CB 3.49Å; P499-S503 PolarHBondContact O-N 2.73Å; P499-S503 PolarHBondContact O-OG 2.91Å; F500-S503 PolarHBondContact O-N 3.21Å; S503-F506 WeakPolarHBondContact O-CB 3.32Å; S503-F506 PolarHBondContact O-N 2.98Å; S503-I507 VanDerWaalsContact O-CG1 3.25Å; S503-I507 WeakPolarHBondContact O-CG1 3.48Å; S503-I507 PolarHBondContact O-N 2.87Å
504	V	97.1	Very high	94.8	Very high	20 Å²	20	41.2 Å²	41.2	12%	0.121	23%	0.231	C	C	.	.	H	α-helix	trans	-68.5	-38.4	177.6	175.6	0	0	0	0	110.8	G468 L471 L475 F500 I507 I508	G468-V504 WeakPolarHBondContact O-CG1 3.41Å; L471-V504 HydrophobicContact CB-CG1 4.38Å; L471-V504 HydrophobicContact CD2-CG1 4.24Å; L471-V504 HydrophobicContact CG-CG1 4.28Å; L475-V504 HydrophobicContact CD1-CG2 4.02Å; F500-V504 WeakPolarHBondContact O-CB 3.48Å; F500-V504 VanDerWaalsContact O-CG2 3.28Å; F500-V504 WeakPolarHBondContact O-CG2 3.46Å; F500-V504 PolarHBondContact O-N 3.33Å; V504-I507 PolarHBondContact O-N 2.95Å; V504-I508 HydrophobicContact CG1-CD1 3.71Å; V504-I508 HydrophobicContact CG1-CG1 4.43Å; V504-I508 WeakPolarHBondContact O-CB 3.19Å; V504-I508 WeakPolarHBondContact O-CG1 3.32Å; V504-I508 PolarHBondContact O-N 2.89Å
505	T	95.6	Very high	94.7	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-58.8	-48.5	171.5	-57.6	0	0	0	0	111	F447 L451 G469 T501 L502 I507 I508 V509	F447-T505 HydrophobicContact CE1-CG2 4.31Å; F447-T505 HydrophobicContact CZ-CG2 4.43Å; L451-T505 HydrophobicContact CD1-CG2 3.65Å; L451-T505 HydrophobicContact CD2-CG2 3.95Å; L451-T505 HydrophobicContact CG-CG2 4.47Å; G469-T505 WeakPolarHBondContact CA-OG1 3.46Å; T501-T505 WeakPolarHBondContact O-CB 3.31Å; T501-T505 PolarHBondContact O-N 3.06Å; T501-T505 PolarHBondContact O-OG1 2.81Å; L502-T505 PolarHBondContact O-N 3.06Å; T505-I507 PolarHBondContact O-N 2.96Å; T505-I508 PolarHBondContact O-N 3.22Å; T505-V509 HydrophobicContact CG2-CG2 4.2Å; T505-V509 WeakPolarHBondContact O-CB 3.46Å; T505-V509 WeakPolarHBondContact O-CG2 3.47Å; T505-V509 PolarHBondContact O-N 2.7Å
506	F	95.9	Very high	94.5	Very high	85 Å²	85	49.5 Å²	49.5	37%	0.373	28%	0.276	S	S	.	.	H	α-helix	trans	-56.8	-47.7	177.4	175.6	-107.6	0	0	0	112.3	L502 S503 I510 W518	L502-F506 WeakPolarHBondContact O-CB 3.38Å; L502-F506 PolarHBondContact O-N 2.84Å; S503-F506 WeakPolarHBondContact O-CB 3.32Å; S503-F506 PolarHBondContact O-N 2.98Å; F506-I510 HydrophobicContact CD1-CD1 4.12Å; F506-I510 HydrophobicContact CD2-CD1 3.78Å; F506-I510 HydrophobicContact CD2-CG1 4.45Å; F506-I510 HydrophobicContact CE1-CD1 3.59Å; F506-I510 HydrophobicContact CE2-CD1 3.24Å; F506-I510 HydrophobicContact CE2-CG1 4.27Å; F506-I510 HydrophobicContact CG-CD1 4.22Å; F506-I510 HydrophobicContact CZ-CD1 3.14Å; F506-I510 HydrophobicContact CZ-CG1 4.48Å; F506-I510 WeakPolarHBondContact O-CB 3.46Å; F506-I510 WeakPolarHBondContact O-CG1 3.5Å; F506-I510 PolarHBondContact O-N 2.78Å; F506-W518 HydrophobicContact CB-CE3 4.49Å; F506-W518 HydrophobicContact CB-CH2 3.94Å; F506-W518 HydrophobicContact CB-CZ3 3.93Å; F506-W518 AromaticContact CD2-CD2 3.57Å; F506-W518 HydrophobicContact CD2-CD2 3.57Å; F506-W518 AromaticContact CD2-CE2 3.42Å; F506-W518 VanDerWaalsContact CD2-CE2 3.42Å; F506-W518 AromaticContact CD2-CE3 3.8Å; F506-W518 HydrophobicContact CD2-CE3 3.8Å; F506-W518 HydrophobicContact CD2-CG 4.18Å; F506-W518 AromaticContact CD2-CH2 3.71Å; F506-W518 HydrophobicContact CD2-CH2 3.71Å; F506-W518 AromaticContact CD2-CZ2 3.51Å; F506-W518 HydrophobicContact CD2-CZ2 3.51Å; F506-W518 AromaticContact CD2-CZ3 3.87Å; F506-W518 HydrophobicContact CD2-CZ3 3.87Å; F506-W518 AromaticContact CD2-NE1 3.93Å; F506-W518 HydrophobicContact CE2-CD2 4.01Å; F506-W518 AromaticContact CE2-CE2 3.72Å; F506-W518 HydrophobicContact CE2-CG 4.19Å; F506-W518 HydrophobicContact CE2-CZ2 4.11Å; F506-W518 AromaticContact CE2-NE1 3.73Å; F506-W518 HydrophobicContact CG-CH2 4.31Å; F506-W518 HydrophobicContact CG-CZ2 4.45Å; F506-W518 HydrophobicContact CG-CZ3 4.43Å
507	I	96.1	Very high	94.3	Very high	96 Å²	96	48.6 Å²	48.6	49%	0.492	27%	0.272	S	S	.	.	H	α-helix	trans	-61.4	-48.2	178.4	-68.7	164.5	0	0	0	110.5	S503 V504 T505 I510 V511	S503-I507 VanDerWaalsContact O-CG1 3.25Å; S503-I507 WeakPolarHBondContact O-CG1 3.48Å; S503-I507 PolarHBondContact O-N 2.87Å; V504-I507 PolarHBondContact O-N 2.95Å; T505-I507 PolarHBondContact O-N 2.96Å; I507-I510 PolarHBondContact O-N 2.71Å; I507-V511 HydrophobicContact CG2-CG2 4.13Å; I507-V511 VanDerWaalsContact O-CB 3.31Å; I507-V511 WeakPolarHBondContact O-CB 3.18Å; I507-V511 WeakPolarHBondContact O-CG2 3.36Å; I507-V511 PolarHBondContact O-N 3.05Å
508	I	94.6	Very high	94.1	Very high	34 Å²	34	50 Å²	50	17%	0.174	28%	0.278	C	S	.	.	H	α-helix	trans	-64.5	-44.3	-177.4	-74.1	170.1	0	0	0	111.5	R464 L471 V504 T505 I510 C512	R464-I508 HydrophobicContact CG-CG2 3.86Å; L471-I508 HydrophobicContact CD2-CD1 4.38Å; V504-I508 HydrophobicContact CG1-CD1 3.71Å; V504-I508 HydrophobicContact CG1-CG1 4.43Å; V504-I508 WeakPolarHBondContact O-CB 3.19Å; V504-I508 WeakPolarHBondContact O-CG1 3.32Å; V504-I508 PolarHBondContact O-N 2.89Å; T505-I508 PolarHBondContact O-N 3.22Å; I508-I510 PolarHBondContact O-N 3.45Å; I508-C512 VanDerWaalsContact O-CB 3.24Å; I508-C512 WeakPolarHBondContact O-CB 3.26Å; I508-C512 PolarHBondContact O-N 2.98Å; I508-C512 PolarHBondContact O-SG 3.23Å
509	V	93.9	Very high	93.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60.6	-47.3	177	174.4	0	0	0	0	110.4	H465 T505 D513 G514 E517 W518 L521	H465-V509 VanDerWaalsContact CD2-CG2 3.42Å; H465-V509 WeakPolarHBondContact CD2-CG2 2.8Å; T505-V509 HydrophobicContact CG2-CG2 4.2Å; T505-V509 WeakPolarHBondContact O-CB 3.46Å; T505-V509 WeakPolarHBondContact O-CG2 3.47Å; T505-V509 PolarHBondContact O-N 2.7Å; V509-D513 WeakPolarHBondContact O-CA 3.49Å; V509-D513 WeakPolarHBondContact O-CB 3.49Å; V509-D513 PolarHBondContact O-N 3.09Å; V509-G514 PolarHBondContact O-N 2.83Å; V509-G514 VanDerWaalsContact O-N 3.17Å; V509-E517 HydrophobicContact CG1-CB 4.09Å; V509-E517 HydrophobicContact CG1-CG 4.35Å; V509-W518 HydrophobicContact CB-CE3 4.25Å; V509-W518 HydrophobicContact CG1-CB 3.87Å; V509-W518 HydrophobicContact CG1-CE3 4.22Å; V509-W518 HydrophobicContact CG2-CE3 4.4Å; V509-L521 HydrophobicContact CB-CD1 4.46Å; V509-L521 HydrophobicContact CG1-CD1 3.91Å; V509-L521 HydrophobicContact CG2-CD1 3.62Å
510	I	93.8	Very high	93.6	Very high	47 Å²	47	56 Å²	56	24%	0.241	30%	0.3	C	S	.	.	H	α-helix	trans	-66.7	-45.4	-178.2	-73.8	-180	0	0	0	111.9	F506 I507 I508 G514 L515 W518	F506-I510 HydrophobicContact CD1-CD1 4.12Å; F506-I510 HydrophobicContact CD2-CD1 3.78Å; F506-I510 HydrophobicContact CD2-CG1 4.45Å; F506-I510 HydrophobicContact CE1-CD1 3.59Å; F506-I510 HydrophobicContact CE2-CD1 3.24Å; F506-I510 HydrophobicContact CE2-CG1 4.27Å; F506-I510 HydrophobicContact CG-CD1 4.22Å; F506-I510 HydrophobicContact CZ-CD1 3.14Å; F506-I510 HydrophobicContact CZ-CG1 4.48Å; F506-I510 WeakPolarHBondContact O-CB 3.46Å; F506-I510 WeakPolarHBondContact O-CG1 3.5Å; F506-I510 PolarHBondContact O-N 2.78Å; I507-I510 PolarHBondContact O-N 2.71Å; I508-I510 PolarHBondContact O-N 3.45Å; I510-G514 VanDerWaalsContact O-CA 3.26Å; I510-G514 WeakPolarHBondContact O-CA 3.49Å; I510-G514 PolarHBondContact O-N 3.46Å; I510-G514 VanDerWaalsContact O-N 3.09Å; I510-L515 HydrophobicContact CD1-CD2 3.58Å; I510-L515 HydrophobicContact CG1-CD2 3.94Å; I510-W518 HydrophobicContact CG1-CB 4.4Å
511	V	93.7	Very high	93.3	Very high	113 Å²	113	52 Å²	52	69%	0.685	28%	0.283	S	S	*	.	H	α-helix	trans	-69	-37.4	-176.2	171.3	0	0	0	0	111.2	I507	I507-V511 HydrophobicContact CG2-CG2 4.13Å; I507-V511 VanDerWaalsContact O-CB 3.31Å; I507-V511 WeakPolarHBondContact O-CB 3.18Å; I507-V511 WeakPolarHBondContact O-CG2 3.36Å; I507-V511 PolarHBondContact O-N 3.05Å
512	C	91.4	Very high	93	Very high	66 Å²	66	56.7 Å²	56.7	45%	0.446	30%	0.3	S	S	.	.	H	α-helix	trans	-94.6	-31.2	-174.2	-62.2	0	0	0	0	114.4	R464 I508	R464-C512 VanDerWaalsContact CD-CB 3.47Å; I508-C512 VanDerWaalsContact O-CB 3.24Å; I508-C512 WeakPolarHBondContact O-CB 3.26Å; I508-C512 PolarHBondContact O-N 2.98Å; I508-C512 PolarHBondContact O-SG 3.23Å
513	D	90	Very high	92.5	Very high	54 Å²	54	57.2 Å²	57.2	29%	0.289	31%	0.308	S	S	.	.	H	α-helix	trans	-126.1	-10.2	-172.4	-63	-65.7	0	0	0	114.3	R464 H465 V509 E517	R464-D513 IonicContact CZ-OD1 3.88Å; R464-D513 IonicContact CZ-OD2 2.63Å; R464-D513 IonicContact NE-OD2 2.66Å; R464-D513 PolarHBondContact NE-OD2 3.31Å; R464-D513 IonicContact NH1-OD1 3.5Å; R464-D513 IonicContact NH2-OD1 3.76Å; R464-D513 PolarHBondContact NH2-OD1 3.16Å; R464-D513 IonicContact NH2-OD2 3.26Å; R464-D513 PolarHBondContact NH2-OD2 3.35Å; H465-D513 IonicContact CD2-OD2 3.37Å; H465-D513 IonicContact CE1-OD2 3.76Å; H465-D513 IonicContact NE2-OD2 2.59Å; H465-D513 PolarHBondContact NE2-OD2 2.85Å; V509-D513 WeakPolarHBondContact O-CA 3.49Å; V509-D513 WeakPolarHBondContact O-CB 3.49Å; V509-D513 PolarHBondContact O-N 3.09Å; D513-E517 HydrophobicContact CB-CB 3.5Å; D513-E517 HydrophobicContact CB-CG 3.72Å
514	G	91.1	Very high	91.9	Very high	28 Å²	28	55 Å²	55	29%	0.289	30%	0.295	S	S	.	.			trans	82.6	172.6	178.9	0	0	0	0	0	114.6	V509 I510 N516 E517 W518	V509-G514 PolarHBondContact O-N 2.83Å; V509-G514 VanDerWaalsContact O-N 3.17Å; I510-G514 VanDerWaalsContact O-CA 3.26Å; I510-G514 WeakPolarHBondContact O-CA 3.49Å; I510-G514 PolarHBondContact O-N 3.46Å; I510-G514 VanDerWaalsContact O-N 3.09Å; G514-N516 PolarHBondContact O-N 3.18Å; G514-E517 PolarHBondContact O-N 3.2Å; G514-W518 PolarHBondContact O-N 3.15Å
515	L	91.9	Very high	91	Very high	104 Å²	104	56.5 Å²	56.5	55%	0.545	31%	0.306	S	S	.	.	H	α-helix	trans	-63.1	-23.9	-175.2	-74.1	169	0	0	0	114	I510 K519	I510-L515 HydrophobicContact CD1-CD2 3.58Å; I510-L515 HydrophobicContact CG1-CD2 3.94Å; L515-K519 WeakPolarHBondContact O-CG 3.3Å; L515-K519 PolarHBondContact O-N 3.24Å
516	N	90.2	Very high	90.3	Very high	126 Å²	126	57.5 Å²	57.5	67%	0.674	31%	0.311	S	S	*	.	H	α-helix	trans	-69.6	-38.3	179.5	-68.5	-20.5	0	0	0	111.5	G514 K519 L520	G514-N516 PolarHBondContact O-N 3.18Å; N516-K519 WeakPolarHBondContact O-CB 2.86Å; N516-K519 PolarHBondContact O-N 3.05Å; N516-L520 PolarHBondContact O-N 3.49Å
517	E	90.7	Very high	89.1	Confident	10 Å²	10	55.3 Å²	55.3	5%	0.047	31%	0.306	C	S	.	.	H	α-helix	trans	-68.5	-40.4	176.5	-160.4	72.6	178.8	0	0	111	Y454 V509 D513 G514 K519 L520 L521 K568	Y454-E517 PolarHBondContact OH-OE1 3.27Å; V509-E517 HydrophobicContact CG1-CB 4.09Å; V509-E517 HydrophobicContact CG1-CG 4.35Å; D513-E517 HydrophobicContact CB-CB 3.5Å; D513-E517 HydrophobicContact CB-CG 3.72Å; G514-E517 PolarHBondContact O-N 3.2Å; E517-K519 VanDerWaalsContact C-N 3.31Å; E517-K519 PolarHBondContact O-N 3.23Å; E517-L520 WeakPolarHBondContact O-CB 3.46Å; E517-L520 PolarHBondContact O-N 3.4Å; E517-L520 VanDerWaalsContact O-N 3.1Å; E517-L521 PolarHBondContact O-N 3.17Å; E517-K568 IonicContact OE1-NZ 2.71Å; E517-K568 IonicContact OE2-NZ 3.08Å; E517-K568 PolarHBondContact OE2-NZ 3Å
518	W	92.1	Very high	87.5	Confident	31 Å²	31	55.3 Å²	55.3	12%	0.117	31%	0.31	C	S	.	.	H	α-helix	trans	-59.1	-43.1	172	178.3	-103.7	0	0	0	111.8	V340 L502 F506 V509 I510 G514 L520 L521 W522	V340-W518 HydrophobicContact CG1-CH2 3.57Å; V340-W518 HydrophobicContact CG1-CZ2 4.05Å; V340-W518 HydrophobicContact CG1-CZ3 4.13Å; L502-W518 HydrophobicContact CD1-CH2 4.22Å; F506-W518 HydrophobicContact CB-CE3 4.49Å; F506-W518 HydrophobicContact CB-CH2 3.94Å; F506-W518 HydrophobicContact CB-CZ3 3.93Å; F506-W518 AromaticContact CD2-CD2 3.57Å; F506-W518 HydrophobicContact CD2-CD2 3.57Å; F506-W518 AromaticContact CD2-CE2 3.42Å; F506-W518 VanDerWaalsContact CD2-CE2 3.42Å; F506-W518 AromaticContact CD2-CE3 3.8Å; F506-W518 HydrophobicContact CD2-CE3 3.8Å; F506-W518 HydrophobicContact CD2-CG 4.18Å; F506-W518 AromaticContact CD2-CH2 3.71Å; F506-W518 HydrophobicContact CD2-CH2 3.71Å; F506-W518 AromaticContact CD2-CZ2 3.51Å; F506-W518 HydrophobicContact CD2-CZ2 3.51Å; F506-W518 AromaticContact CD2-CZ3 3.87Å; F506-W518 HydrophobicContact CD2-CZ3 3.87Å; F506-W518 AromaticContact CD2-NE1 3.93Å; F506-W518 HydrophobicContact CE2-CD2 4.01Å; F506-W518 AromaticContact CE2-CE2 3.72Å; F506-W518 HydrophobicContact CE2-CG 4.19Å; F506-W518 HydrophobicContact CE2-CZ2 4.11Å; F506-W518 AromaticContact CE2-NE1 3.73Å; F506-W518 HydrophobicContact CG-CH2 4.31Å; F506-W518 HydrophobicContact CG-CZ2 4.45Å; F506-W518 HydrophobicContact CG-CZ3 4.43Å; V509-W518 HydrophobicContact CB-CE3 4.25Å; V509-W518 HydrophobicContact CG1-CB 3.87Å; V509-W518 HydrophobicContact CG1-CE3 4.22Å; V509-W518 HydrophobicContact CG2-CE3 4.4Å; I510-W518 HydrophobicContact CG1-CB 4.4Å; G514-W518 PolarHBondContact O-N 3.15Å; W518-L520 VanDerWaalsContact C-N 3.27Å; W518-L520 PolarHBondContact O-N 2.88Å; W518-L521 PolarHBondContact O-N 3.39Å; W518-W522 AromaticContact CZ2-CE3 3.71Å; W518-W522 HydrophobicContact CZ2-CE3 3.71Å; W518-W522 HydrophobicContact CZ2-CZ3 4.02Å; W518-W522 WeakPolarHBondContact O-CB 3.31Å; W518-W522 PolarHBondContact O-N 3.46Å
519	K	91.4	Very high	85.5	Confident	133 Å²	133	59 Å²	59	58%	0.578	33%	0.329	S	S	*	.	H	α-helix	trans	-60.7	-37.6	175.6	-74.8	173.4	-176.8	176.3	0	111.7	L515 N516 E517 W522 S523	L515-K519 WeakPolarHBondContact O-CG 3.3Å; L515-K519 PolarHBondContact O-N 3.24Å; N516-K519 WeakPolarHBondContact O-CB 2.86Å; N516-K519 PolarHBondContact O-N 3.05Å; E517-K519 VanDerWaalsContact C-N 3.31Å; E517-K519 PolarHBondContact O-N 3.23Å; K519-W522 PolarHBondContact O-N 2.82Å; K519-S523 WeakPolarHBondContact O-CB 3.42Å; K519-S523 PolarHBondContact O-N 3.42Å; K519-S523 PolarHBondContact O-OG 3.22Å; K519-S523 VanDerWaalsContact O-OG 3.11Å
520	L	90.1	Very high	83	Confident	42 Å²	42	63.4 Å²	63.4	22%	0.22	36%	0.356	C	S	.	.	H	α-helix	trans	-67.3	-46.5	177.9	-165.2	69.9	0	0	0	112.1	Y454 W458 N516 E517 W518 W522 S523 G524 S525	Y454-L520 WeakPolarHBondContact OH-CD2 2.86Å; W458-L520 HydrophobicContact CH2-CD2 4.47Å; W458-L520 HydrophobicContact CZ2-CD2 3.95Å; N516-L520 PolarHBondContact O-N 3.49Å; E517-L520 WeakPolarHBondContact O-CB 3.46Å; E517-L520 PolarHBondContact O-N 3.4Å; E517-L520 VanDerWaalsContact O-N 3.1Å; W518-L520 VanDerWaalsContact C-N 3.27Å; W518-L520 PolarHBondContact O-N 2.88Å; L520-W522 VanDerWaalsContact C-N 3.34Å; L520-S523 PolarHBondContact O-N 3.34Å; L520-S523 PolarHBondContact O-OG 2.94Å; L520-S523 VanDerWaalsContact O-OG 3.05Å; L520-G524 PolarHBondContact O-N 2.84Å; L520-S525 VanDerWaalsContact CD1-CB 3.43Å; L520-S525 PolarHBondContact O-N 3.28Å
521	L	90.9	Very high	80.6	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-61.5	-40.6	172.4	-86.8	167.6	0	0	0	112.1	V340 F450 L451 Y454 V509 E517 W518 G524	V340-L521 HydrophobicContact CG2-CB 3.82Å; V340-L521 HydrophobicContact CG2-CD2 4.25Å; V340-L521 PolarHBondContact N-O 3.06Å; F450-L521 HydrophobicContact CE1-CD2 4.01Å; F450-L521 HydrophobicContact CZ-CD2 4.06Å; L451-L521 HydrophobicContact CD2-CD2 4.39Å; Y454-L521 HydrophobicContact CD1-CD2 3.54Å; Y454-L521 HydrophobicContact CD1-CG 4.2Å; Y454-L521 HydrophobicContact CD2-CD2 3.58Å; Y454-L521 HydrophobicContact CD2-CG 4.45Å; Y454-L521 HydrophobicContact CE1-CD1 4.28Å; Y454-L521 HydrophobicContact CE1-CD2 3.61Å; Y454-L521 HydrophobicContact CE1-CG 3.76Å; Y454-L521 HydrophobicContact CE2-CD2 3.66Å; Y454-L521 HydrophobicContact CE2-CG 4.04Å; Y454-L521 HydrophobicContact CG-CD2 3.5Å; V509-L521 HydrophobicContact CB-CD1 4.46Å; V509-L521 HydrophobicContact CG1-CD1 3.91Å; V509-L521 HydrophobicContact CG2-CD1 3.62Å; E517-L521 PolarHBondContact O-N 3.17Å; W518-L521 PolarHBondContact O-N 3.39Å; L521-G524 PolarHBondContact O-N 2.65Å
522	W	91.2	Very high	77.9	Confident	98 Å²	98	67.6 Å²	67.6	37%	0.371	38%	0.383	S	S	.	.	H	α-helix	trans	-68.1	-38.4	177.7	-172.2	-110.3	0	0	0	112.1	V340 K341 T344 W518 K519 L520	V340-W522 HydrophobicContact CB-CE3 4.21Å; V340-W522 HydrophobicContact CG1-CE3 3.9Å; V340-W522 HydrophobicContact CG1-CZ3 4.15Å; K341-W522 HydrophobicContact CD-CD2 4.44Å; K341-W522 HydrophobicContact CD-CG 4.41Å; K341-W522 WeakPolarHBondContact CD-O 3.29Å; K341-W522 WeakPolarHBondContact CE-O 3.25Å; K341-W522 HydrophobicContact CG-CD2 3.53Å; K341-W522 HydrophobicContact CG-CE3 4.06Å; K341-W522 HydrophobicContact CG-CG 3.91Å; K341-W522 HydrophobicContact CG-CH2 4.19Å; K341-W522 HydrophobicContact CG-CZ2 3.72Å; K341-W522 HydrophobicContact CG-CZ3 4.36Å; K341-W522 WeakPolarHBondContact CG-O 3.48Å; T344-W522 HydrophobicContact CG2-CH2 4.36Å; T344-W522 HydrophobicContact CG2-CZ3 3.8Å; W518-W522 AromaticContact CZ2-CE3 3.71Å; W518-W522 HydrophobicContact CZ2-CE3 3.71Å; W518-W522 HydrophobicContact CZ2-CZ3 4.02Å; W518-W522 WeakPolarHBondContact O-CB 3.31Å; W518-W522 PolarHBondContact O-N 3.46Å; K519-W522 PolarHBondContact O-N 2.82Å; L520-W522 VanDerWaalsContact C-N 3.34Å
523	S	85.2	Confident	75.3	Confident	52 Å²	52	68.1 Å²	68.1	36%	0.364	39%	0.392	S	S	.	.	H	α-helix	trans	-77.5	-23.5	175.5	61.4	0	0	0	0	113.3	K519 L520 S525	K519-S523 WeakPolarHBondContact O-CB 3.42Å; K519-S523 PolarHBondContact O-N 3.42Å; K519-S523 PolarHBondContact O-OG 3.22Å; K519-S523 VanDerWaalsContact O-OG 3.11Å; L520-S523 PolarHBondContact O-N 3.34Å; L520-S523 PolarHBondContact O-OG 2.94Å; L520-S523 VanDerWaalsContact O-OG 3.05Å; S523-S525 PolarHBondContact OG-OG 3.28Å
524	G	82.3	Confident	72.6	Confident	15 Å²	15	72.5 Å²	72.5	16%	0.155	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	34.1	-177.3	0	0	0	0	0	113.4	P338 L520 L521 L526	P338-G524 WeakPolarHBondContact O-CA 3.48Å; L520-G524 PolarHBondContact O-N 2.84Å; L521-G524 PolarHBondContact O-N 2.65Å; G524-L526 PolarHBondContact O-N 2.98Å
525	S	79.6	Confident	70	Confident	51 Å²	51	78.2 Å²	78.2	36%	0.357	44%	0.438	S	S	.	.			trans	-84.1	106.9	-179.1	-52.1	0	0	0	0	109.5	W458 L520 S523	W458-S525 PolarHBondContact NE1-O 3.11Å; L520-S525 VanDerWaalsContact CD1-CB 3.43Å; L520-S525 PolarHBondContact O-N 3.28Å; S523-S525 PolarHBondContact OG-OG 3.28Å
526	L	80.1	Confident	67.1	Low	22 Å²	22	79.3 Å²	79.3	12%	0.115	44%	0.444	C	S	.	.			trans	-92.7	161.3	171.1	-78	107.3	0	0	0	110.8	L196 Y199 F453 C457 G524 T528	L196-L526 HydrophobicContact CD1-CB 4.14Å; L196-L526 HydrophobicContact CD1-CD2 3.66Å; Y199-L526 HydrophobicContact CE1-CD1 3.93Å; F453-L526 HydrophobicContact CD1-CD2 4.03Å; F453-L526 HydrophobicContact CE1-CD2 3.3Å; F453-L526 HydrophobicContact CZ-CD2 3.92Å; C457-L526 HydrophobicContact CB-CD2 4.22Å; G524-L526 PolarHBondContact O-N 2.98Å; L526-T528 PolarHBondContact O-N 2.88Å
527	P	71.5	Confident	64.4	Low	40 Å²	40	79.4 Å²	79.4	26%	0.26	45%	0.451	S	S	.	.			trans	-57.3	111.8	172.5	-18.9	31.1	0	0	0	109.2	C457 W458	C457-P527 HydrophobicContact CB-CG 4.32Å; W458-P527 HydrophobicContact CD2-CG 3.96Å; W458-P527 HydrophobicContact CE3-CG 4.23Å; W458-P527 HydrophobicContact CG-CG 4.47Å; W458-P527 HydrophobicContact CH2-CG 4.28Å; W458-P527 HydrophobicContact CZ2-CG 4.01Å; W458-P527 HydrophobicContact CZ3-CG 4.39Å
528	T	61.1	Low	61.7	Low	96 Å²	96	84.7 Å²	84.7	59%	0.589	49%	0.485	S	S	*	.			trans	-71.1	135.7	169.2	48.2	0	0	0	0	107.6	L526 V530	L526-T528 PolarHBondContact O-N 2.88Å; T528-V530 PolarHBondContact O-N 3.07Å
529	L	52.4	Low	59	Low	110 Å²	110	90 Å²	90	58%	0.576	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	23.8	175	-67.5	166.2	0	0	0	113.8	L197	L197-L529 HydrophobicContact CD2-CD1 3.38Å; L197-L529 HydrophobicContact CG-CD1 4.32Å
530	V	43.1	Very low	56.4	Low	94 Å²	94	90.3 Å²	90.3	57%	0.57	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-11.1	-170.1	177.4	0	0	0	0	112.3	T528 S532 A533	T528-V530 PolarHBondContact O-N 3.07Å; V530-S532 PolarHBondContact O-N 2.98Å; V530-S532 VanDerWaalsContact O-N 3.12Å; V530-A533 PolarHBondContact O-N 2.96Å
531	D	43	Very low	53.7	Low	153 Å²	153	93.2 Å²	93.2	82%	0.818	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-7.1	176.8	-69.6	-20.4	0	0	0	114
532	S	37.4	Very low	51.1	Low	95 Å²	95	100 Å²	100	66%	0.664	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	-3.1	175.7	-55.4	0	0	0	0	114.8	V530	V530-S532 PolarHBondContact O-N 2.98Å; V530-S532 VanDerWaalsContact O-N 3.12Å
533	A	36.2	Very low	48.5	Very low	77 Å²	77	106.7 Å²	106.7	64%	0.636	61%	0.609	S	S	*	*	S	Bend	trans	-92.8	-1.9	-176.8	0	0	0	0	0	114.6	V530	V530-A533 PolarHBondContact O-N 2.96Å
534	N	33.2	Very low	46.2	Very low	145 Å²	145	110.1 Å²	110.1	78%	0.775	63%	0.627	S	S	*	*			trans	-102.2	20.7	-178.9	-89.3	-5.1	0	0	0	114.5	N536	N534-N536 PolarHBondContact O-N 3.33Å
535	I	35.7	Very low	43.8	Very low	148 Å²	148	116.4 Å²	116.4	76%	0.759	66%	0.657	S	S	*	*			trans	-81.5	96.4	163	-61.7	170.4	0	0	0	107	P537	I535-P537 VanDerWaalsContact O-CD 3.3Å; I535-P537 WeakPolarHBondContact O-CD 3.22Å
536	N	30.9	Very low	41.6	Very low	128 Å²	128	122.8 Å²	122.8	68%	0.684	68%	0.682	S	S	*	*			trans	-45.4	119.4	172.2	-71.2	-29.7	0	0	0	111.3	N534 T538	N534-N536 PolarHBondContact O-N 3.33Å; N536-T538 VanDerWaalsContact C-N 3.3Å; N536-T538 PolarHBondContact O-N 2.91Å
537	P	33.4	Very low	39.1	Very low	127 Å²	127	127.3 Å²	127.3	83%	0.825	71%	0.712	S	S	*	*			trans	-90.1	75.9	159.4	32.4	-21.5	0	0	0	107.5	I535	I535-P537 VanDerWaalsContact O-CD 3.3Å; I535-P537 WeakPolarHBondContact O-CD 3.22Å
538	T	35.1	Very low	37.2	Very low	121 Å²	121	131.1 Å²	131.1	74%	0.742	74%	0.735	S	S	*	*			trans	-97.4	75.7	159.3	49.7	0	0	0	0	107.6	N536	N536-T538 VanDerWaalsContact C-N 3.3Å; N536-T538 PolarHBondContact O-N 2.91Å
539	D	36.2	Very low	35.5	Very low	143 Å²	143	133.5 Å²	133.5	77%	0.765	74%	0.744	S	S	*	*	S	Bend	trans	-172.7	143.6	139.2	-125.8	-19	0	0	0	111.1
540	N	35.9	Very low	34.4	Very low	140 Å²	140	133.4 Å²	133.4	75%	0.749	75%	0.752	S	S	*	*			trans	79.7	79.8	172.1	-57.7	-31.3	0	0	0	117.7	D542	N540-D542 PolarHBondContact O-N 2.73Å
541	S	33.1	Very low	33.8	Very low	102 Å²	102	137.2 Å²	137.2	71%	0.713	77%	0.769	S	S	*	*			trans	-42.2	123.7	131.6	50.3	0	0	0	0	111.1
542	D	37.7	Very low	33.3	Very low	144 Å²	144	137.7 Å²	137.7	77%	0.77	77%	0.766	S	S	*	*			trans	153	136.1	134.2	-73.9	-20.4	0	0	0	111.6	N540	N540-D542 PolarHBondContact O-N 2.73Å
543	R	35.8	Very low	33.2	Very low	237 Å²	237	139.3 Å²	139.3	89%	0.894	77%	0.772	S	S	*	*			trans	93.5	89.8	174.5	-54.6	176.1	178.6	-171.2	-1	114.3
544	V	37.7	Very low	33.1	Very low	124 Å²	124	141.5 Å²	141.5	75%	0.752	77%	0.773	S	S	*	*				61	100.6	71.2	-173.6	0	0	0	0	113.6
545	N	31.6	Very low	33.1	Very low	147 Å²	147	141.7 Å²	141.7	79%	0.786	77%	0.774	S	S	*	*			trans	52.6	108.7	144.2	-57.3	-20.3	0	0	0	120.7
546	Q	32.1	Very low	32.9	Very low	186 Å²	186	142.3 Å²	142.3	87%	0.869	78%	0.778	S	S	*	*			trans	-167.8	137	130	-111.7	169.2	2.8	0	0	112
547	P	29.1	Very low	32.9	Very low	117 Å²	117	146.2 Å²	146.2	76%	0.76	78%	0.784	S	S	*	*			trans	-103.1	119.5	173.8	34.5	-22.4	0	0	0	110.4
548	T	30.7	Very low	32.7	Very low	119 Å²	119	145 Å²	145	73%	0.73	78%	0.779	S	S	*	*			trans	-164.2	120.8	161.9	16.2	0	0	0	0	111.5
549	D	26.3	Very low	32.5	Very low	146 Å²	146	144.3 Å²	144.3	78%	0.781	77%	0.774	S	S	*	*			trans	37.6	139.9	135.4	-65.1	-32.2	0	0	0	121.8
550	S	28	Very low	32.1	Very low	108 Å²	108	146.9 Å²	146.9	76%	0.755	78%	0.782	S	S	*	*			trans	70	85.5	161.9	60.4	0	0	0	0	117.6
551	L	31.1	Very low	31.8	Very low	174 Å²	174	149.3 Å²	149.3	91%	0.911	78%	0.782	S	S	*	*			trans	-96.3	99.9	155.8	-77	167.6	0	0	0	109
552	E	32.7	Very low	31.6	Very low	163 Å²	163	153.6 Å²	153.6	76%	0.762	79%	0.788	S	S	*	*			trans	-65.5	137.1	171.2	-70.5	-173.2	138.2	0	0	111.1	N554	E552-N554 PolarHBondContact O-N 3.01Å; E552-N554 VanDerWaalsContact O-N 3.15Å
553	V	35.4	Very low	31	Very low	130 Å²	130	151.7 Å²	151.7	79%	0.788	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	40.7	-171	-176.6	0	0	0	0	111.2
554	N	32.4	Very low	30.8	Very low	123 Å²	123	145 Å²	145	66%	0.658	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.5	-8.5	-171.9	-82	-13.9	0	0	0	115.9	E552	E552-N554 PolarHBondContact O-N 3.01Å; E552-N554 VanDerWaalsContact O-N 3.15Å
555	D	34.1	Very low	30.2	Very low	148 Å²	148	146.6 Å²	146.6	79%	0.791	78%	0.777	S	S	*	*	S	Bend	trans	-98	11	-173.9	-70.5	-24.4	0	0	0	115.7
556	L	32	Very low	30.3	Very low	161 Å²	161	147.5 Å²	147.5	84%	0.843	78%	0.776	S	S	*	*			trans	-93.4	4.8	-175.7	-125.6	100.4	0	0	0	115.8
557	Y	31.6	Very low	30.2	Very low	210 Å²	210	143.1 Å²	143.1	82%	0.824	77%	0.766	S	S	*	*	S	Bend	trans	-96.5	5.5	-175.1	-78.3	-76.2	0	0	0	115.4
558	S	28.4	Very low	30.4	Very low	103 Å²	103	144.5 Å²	144.5	72%	0.72	76%	0.76	S	S	*	*			trans	-128.9	69.3	-179	61.1	0	0	0	0	112.1
559	V	31.6	Very low	30.5	Very low	106 Å²	106	144.9 Å²	144.9	64%	0.642	76%	0.763	S	S	*	*			trans	-132.6	98.4	161.9	-169.8	0	0	0	0	109.5	Y561	V559-Y561 HydrophobicContact CG1-CD2 3.52Å; V559-Y561 HydrophobicContact CG1-CE2 3.75Å; V559-Y561 PolarHBondContact O-N 3.21Å; V559-Y561 VanDerWaalsContact O-N 3.16Å
560	E	26.5	Very low	30.6	Very low	197 Å²	197	143 Å²	143	92%	0.921	76%	0.761	S	S	*	*			trans	-67.1	97.5	167.2	-169.8	170.9	-165.8	0	0	108.7	K562	E560-K562 PolarHBondContact O-N 3.09Å
561	Y	29	Very low	30.9	Very low	191 Å²	191	145.7 Å²	145.7	75%	0.749	77%	0.766	S	S	*	*			trans	-88.8	102.9	178.3	-116.2	-84.7	0	0	0	111	V559	V559-Y561 HydrophobicContact CG1-CD2 3.52Å; V559-Y561 HydrophobicContact CG1-CE2 3.75Å; V559-Y561 PolarHBondContact O-N 3.21Å; V559-Y561 VanDerWaalsContact O-N 3.16Å
562	K	29.1	Very low	31	Very low	192 Å²	192	143 Å²	143	84%	0.835	76%	0.756	S	S	*	*			trans	-54.6	136	160.7	-102.1	173.4	174.3	172.5	0	110.3	E560	E560-K562 PolarHBondContact O-N 3.09Å
563	S	24.9	Very low	30.9	Very low	103 Å²	103	143 Å²	143	72%	0.72	76%	0.76	S	S	*	*			trans	-43	126.5	173.5	-178.7	0	0	0	0	113.8
564	P	32.3	Very low	30.9	Very low	97 Å²	97	145.3 Å²	145.3	63%	0.63	76%	0.763	S	S	*	*			trans	-103.4	107	158.2	25.9	-10	0	0	0	109.6	H566	P564-H566 VanDerWaalsContact C-N 3.32Å; P564-H566 PolarHBondContact O-N 3.38Å
565	N	25.9	Very low	31	Very low	158 Å²	158	151.6 Å²	151.6	85%	0.845	79%	0.788	S	S	*	*			trans	-58.6	99.3	151.1	-84	-23.1	0	0	0	107.3
566	H	33.7	Very low	30.9	Very low	166 Å²	166	151.8 Å²	151.8	77%	0.769	79%	0.788	S	S	*	*			trans	-134.2	112.1	163.7	-104.4	-66.6	0	0	0	111	P564 K568	P564-H566 VanDerWaalsContact C-N 3.32Å; P564-H566 PolarHBondContact O-N 3.38Å; H566-K568 PolarHBondContact O-N 3.48Å
567	S	30.3	Very low	30.8	Very low	93 Å²	93	151.3 Å²	151.3	65%	0.65	79%	0.785	S	S	*	*			trans	-26.3	120.8	161	51.1	0	0	0	0	114	T569	S567-T569 PolarHBondContact O-N 3.03Å; S567-T569 VanDerWaalsContact O-N 3.08Å
568	K	33.4	Very low	30.8	Very low	146 Å²	146	148.1 Å²	148.1	64%	0.635	78%	0.783	S	S	*	*			trans	-55.7	112.8	151.8	-80.3	-176.6	175.4	-178.9	0	106.6	E517 H566 S570	E517-K568 IonicContact OE1-NZ 2.71Å; E517-K568 IonicContact OE2-NZ 3.08Å; E517-K568 PolarHBondContact OE2-NZ 3Å; H566-K568 PolarHBondContact O-N 3.48Å; K568-S570 PolarHBondContact O-N 3.19Å
569	T	31.8	Very low	30.9	Very low	128 Å²	128	150.7 Å²	150.7	79%	0.785	79%	0.787	S	S	*	*			trans	-49.2	116.4	-173.4	-42.7	0	0	0	0	112	S567 L571	S567-T569 PolarHBondContact O-N 3.03Å; S567-T569 VanDerWaalsContact O-N 3.08Å; T569-L571 PolarHBondContact O-N 2.73Å
570	S	29.2	Very low	30.9	Very low	106 Å²	106	153.5 Å²	153.5	74%	0.741	80%	0.796	S	S	*	*			trans	-64.9	116	161.1	44.8	0	0	0	0	109	K568 V572	K568-S570 PolarHBondContact O-N 3.19Å; S570-V572 PolarHBondContact O-N 2.73Å
571	L	33.4	Very low	31.2	Very low	165 Å²	165	150.6 Å²	150.6	86%	0.864	79%	0.788	S	S	*	*			trans	-69.1	110.2	166.3	-89.7	158.6	0	0	0	109.1	T569	T569-L571 PolarHBondContact O-N 2.73Å
572	V	33.3	Very low	31.3	Very low	117 Å²	117	147.7 Å²	147.7	71%	0.709	79%	0.79	S	S	*	*			trans	8.2	112.6	144.1	-174.7	0	0	0	0	115.2	S570 E574	S570-V572 PolarHBondContact O-N 2.73Å; V572-E574 HydrophobicContact CG1-CB 4.27Å; V572-E574 HydrophobicContact CG1-CG 4.33Å
573	L	30.1	Very low	31.5	Very low	162 Å²	162	144.3 Å²	144.3	85%	0.848	79%	0.787	S	S	*	*			trans	-95.7	106.1	153.7	-138.3	138	0	0	0	105.5	Q575	L573-Q575 WeakPolarHBondContact CD2-O 3.26Å
574	E	37.1	Very low	32	Very low	179 Å²	179	147.8 Å²	147.8	84%	0.836	79%	0.792	S	S	*	*			trans	-91.5	120.6	166.5	-120.9	-176.9	162.1	0	0	107.1	V572	V572-E574 HydrophobicContact CG1-CB 4.27Å; V572-E574 HydrophobicContact CG1-CG 4.33Å
575	Q	34.2	Very low	32	Very low	256 Å²	256	152.4 Å²	152.4	100%	1.196	81%	0.807	S	S	*	*			trans	106.1	0	-179	-67	-165.8	-27.4	0	0	116.6	L573	L573-Q575 WeakPolarHBondContact CD2-O 3.26Å

Retrieved 575 of 575 residues in 598.2 ms (Link to these results)

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