A0A077ZIT4_TRITR Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A077ZIT4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 574 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	43	Very low	46.1	Very low	198 Å²	198	92.5 Å²	92.5	98%	0.975	52%	0.52	S	S	*	.				0	93.9	0	-78.1	-152	-172.7	0	0	105.5	A3 M32	M1-A3 PolarHBondContact O-N 2.82Å; M1-M32 HydrophobicContact SD-SD 4.18Å
2	D	50.9	Low	46.1	Very low	140 Å²	140	90.2 Å²	90.2	75%	0.749	51%	0.505	S	S	*	.			trans	-88.2	31.3	-167.9	-62.4	-49.2	0	0	0	113.8	K320	D2-K320 PolarHBondContact O-NZ 2.71Å
3	A	52.8	Low	46	Very low	23 Å²	23	88.2 Å²	88.2	19%	0.19	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-73	127.2	175.8	0	0	0	0	0	110.6	M1 V5 D35 V37	M1-A3 PolarHBondContact O-N 2.82Å; A3-V5 PolarHBondContact O-N 3.39Å; A3-D35 CarbonylContact C-O 3.54Å; A3-D35 WeakPolarHBondContact CA-O 3.3Å; A3-D35 VanDerWaalsContact CB-C 3.48Å; A3-D35 WeakPolarHBondContact CB-O 3.02Å; A3-V37 HydrophobicContact CB-CG2 3.9Å
4	P	39.9	Very low	46	Very low	63 Å²	63	83.4 Å²	83.4	41%	0.409	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-50	134.2	166.4	18	-32.7	0	0	0	111.7	D35 T36 V37	P4-D35 WeakPolarHBondContact CD-O 3.41Å; P4-T36 CarbonylContact O-C 3.57Å; P4-T36 VanDerWaalsContact O-CA 3.26Å; P4-T36 WeakPolarHBondContact O-CA 3.38Å; P4-T36 WeakPolarHBondContact O-CG2 3.12Å; P4-V37 PolarHBondContact O-N 2.97Å
5	V	48.1	Very low	45.4	Very low	56 Å²	56	84.9 Å²	84.9	34%	0.339	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	116.7	177.3	-174.6	0	0	0	0	109.3	A3 V37 V39 K317	A3-V5 PolarHBondContact O-N 3.39Å; V5-V37 CarbonylContact C-O 3.56Å; V5-V37 VanDerWaalsContact CA-O 3.26Å; V5-V37 WeakPolarHBondContact CA-O 3.47Å; V5-V37 HydrophobicContact CG1-CB 4.42Å; V5-V37 HydrophobicContact CG2-CB 4.15Å; V5-V39 HydrophobicContact CG1-CG2 3.94Å; V5-K317 WeakPolarHBondContact O-CD 3.45Å; V5-K317 PolarHBondContact O-NZ 3.41Å
6	V	46.5	Very low	44.9	Very low	73 Å²	73	82.7 Å²	82.7	44%	0.442	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	111.5	169.4	178.6	0	0	0	0	107.4	T36 V37 V38 V39	V6-T36 HydrophobicContact CB-CG2 4.29Å; V6-T36 HydrophobicContact CG2-CG2 3.67Å; V6-V37 PolarHBondContact N-O 3.27Å; V6-V38 VanDerWaalsContact O-CA 3.31Å; V6-V38 WeakPolarHBondContact O-CA 3.36Å; V6-V39 PolarHBondContact O-N 3.15Å
7	S	49.9	Very low	44.5	Very low	84 Å²	84	85.1 Å²	85.1	59%	0.587	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	135.1	179.3	58	0	0	0	0	111.4	V39	S7-V39 VanDerWaalsContact CA-O 3.3Å; S7-V39 WeakPolarHBondContact CA-O 3.38Å
8	G	42.7	Very low	44.3	Very low	37 Å²	37	84.6 Å²	84.6	38%	0.381	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	138.8	175.1	0	0	0	0	0	110.5	V39 I40 E41	G8-V39 PolarHBondContact N-O 3.33Å; G8-I40 WeakPolarHBondContact O-CA 3.22Å; G8-E41 PolarHBondContact O-N 3.42Å
9	T	43.7	Very low	43.8	Very low	83 Å²	83	85.2 Å²	85.2	51%	0.509	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	119.5	173.3	-51.3	0	0	0	0	109	E41 V43	T9-E41 CarbonylContact C-O 3.56Å; T9-E41 WeakPolarHBondContact CA-O 3.39Å; T9-E41 HydrophobicContact CG2-CB 4.28Å; T9-E41 WeakPolarHBondContact CG2-O 3.23Å; T9-V43 HydrophobicContact CG2-CG2 4.5Å
10	V	45.1	Very low	43.2	Very low	66 Å²	66	90.5 Å²	90.5	40%	0.4	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	111.2	173.9	-178.6	0	0	0	0	108.1	L12 I40 E41 C42 V43	V10-L12 HydrophobicContact CG1-CD2 3.82Å; V10-L12 HydrophobicContact CG1-CG 4.14Å; V10-I40 HydrophobicContact CB-CG2 4.35Å; V10-I40 HydrophobicContact CG2-CG2 3.83Å; V10-E41 PolarHBondContact N-O 2.77Å; V10-C42 WeakPolarHBondContact O-CA 3.42Å; V10-V43 PolarHBondContact O-N 3.3Å
11	R	45	Very low	43	Very low	194 Å²	194	89.3 Å²	89.3	73%	0.732	54%	0.543	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	115.5	172.5	-73	-172.3	178.7	123.5	1.6	109.8
12	L	45.4	Very low	43	Very low	65 Å²	65	85.1 Å²	85.1	34%	0.34	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	88.2	176.3	-62.2	176.3	0	0	0	108.6	V10 F18 V43 Y44	V10-L12 HydrophobicContact CG1-CD2 3.82Å; V10-L12 HydrophobicContact CG1-CG 4.14Å; L12-F18 HydrophobicContact CD1-CE1 4.5Å; L12-F18 HydrophobicContact CD1-CZ 3.79Å; L12-V43 PolarHBondContact N-O 3.49Å; L12-Y44 HydrophobicContact CB-CD2 4.44Å; L12-Y44 VanDerWaalsContact O-CD2 3.31Å; L12-Y44 WeakPolarHBondContact O-CD2 3.12Å
13	D	45.7	Very low	42.9	Very low	64 Å²	64	84.8 Å²	84.8	34%	0.342	51%	0.511	S	S	.	.			trans	-102.8	108.6	173.7	-71.8	-37.2	0	0	0	109.9	Y305	D13-Y305 HydrophobicContact CB-CD2 4.49Å; D13-Y305 HydrophobicContact CB-CE2 4.2Å
14	G	45	Very low	43	Very low	22 Å²	22	87.3 Å²	87.3	23%	0.227	53%	0.525	C	S	.	.	S	Bend	trans	159	170.8	176.7	0	0	0	0	0	114.2	A16	G14-A16 PolarHBondContact O-N 2.96Å
15	A	37.5	Very low	43.7	Very low	105 Å²	105	85.7 Å²	85.7	87%	0.868	52%	0.52	S	S	*	.			trans	-71.8	65.9	169.4	0	0	0	0	0	110.1	S17	A15-S17 PolarHBondContact O-N 3.43Å
16	A	37.6	Very low	44.1	Very low	50 Å²	50	86.9 Å²	86.9	41%	0.413	53%	0.53	S	S	.	.			trans	-74.8	119	162.7	0	0	0	0	0	107.1	G14 F18	G14-A16 PolarHBondContact O-N 2.96Å; A16-F18 HydrophobicContact CB-CD2 3.94Å; A16-F18 HydrophobicContact CB-CE2 3.61Å; A16-F18 HydrophobicContact CB-CZ 4.24Å; A16-F18 PolarHBondContact O-N 3.11Å
17	S	37.9	Very low	44.5	Very low	123 Å²	123	88.6 Å²	88.6	86%	0.86	53%	0.529	S	S	*	.			trans	-70.2	85.7	167.4	50.1	0	0	0	0	108.1	A15	A15-S17 PolarHBondContact O-N 3.43Å
18	F	40.2	Very low	44.7	Very low	76 Å²	76	88.3 Å²	88.3	33%	0.333	53%	0.527	S	S	.	.			trans	-67.9	150.3	167.6	-74.7	-82.6	0	0	0	109.7	L12 A16 L20 W22 Y44	L12-F18 HydrophobicContact CD1-CE1 4.5Å; L12-F18 HydrophobicContact CD1-CZ 3.79Å; A16-F18 HydrophobicContact CB-CD2 3.94Å; A16-F18 HydrophobicContact CB-CE2 3.61Å; A16-F18 HydrophobicContact CB-CZ 4.24Å; A16-F18 PolarHBondContact O-N 3.11Å; F18-L20 PolarHBondContact O-N 3.41Å; F18-W22 HydrophobicContact CB-CB 4.16Å; F18-W22 HydrophobicContact CB-CG 4.5Å; F18-W22 HydrophobicContact CG-CB 4.47Å; F18-Y44 HydrophobicContact CD2-CE1 4.44Å; F18-Y44 HydrophobicContact CD2-CE2 4.31Å; F18-Y44 HydrophobicContact CE2-CD1 4.49Å; F18-Y44 AromaticContact CE2-CD2 3.81Å; F18-Y44 HydrophobicContact CE2-CD2 3.81Å; F18-Y44 HydrophobicContact CE2-CE1 4.47Å; F18-Y44 AromaticContact CE2-CE2 3.78Å; F18-Y44 HydrophobicContact CE2-CE2 3.78Å; F18-Y44 HydrophobicContact CE2-CG 4.2Å
19	P	35.4	Very low	45.4	Very low	97 Å²	97	91.5 Å²	91.5	63%	0.63	53%	0.531	S	S	*	.			trans	-50.9	139.1	167.7	-21.5	31.3	0	0	0	110	G21	P19-G21 PolarHBondContact O-N 2.76Å
20	L	31.1	Very low	46	Very low	190 Å²	190	91.9 Å²	91.9	100%	0.995	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.4	116.4	179.9	-87.8	116	0	0	0	111.1	F18	F18-L20 PolarHBondContact O-N 3.41Å
21	G	39.5	Very low	46.3	Very low	66 Å²	66	94.4 Å²	94.4	68%	0.68	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	138.3	-17.8	172.5	0	0	0	0	0	116.4	P19	P19-G21 PolarHBondContact O-N 2.76Å
22	W	42.4	Very low	46.7	Very low	111 Å²	111	90.8 Å²	90.8	42%	0.42	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-84.4	121.7	-176.9	-71	68.4	0	0	0	112.1	F18 W27 F29	F18-W22 HydrophobicContact CB-CB 4.16Å; F18-W22 HydrophobicContact CB-CG 4.5Å; F18-W22 HydrophobicContact CG-CB 4.47Å; W22-W27 HydrophobicContact CE3-CD2 4.11Å; W22-W27 AromaticContact CE3-CE2 3.98Å; W22-W27 HydrophobicContact CE3-CG 4.38Å; W22-W27 HydrophobicContact CE3-CZ2 4.37Å; W22-W27 HydrophobicContact CZ3-CB 4.43Å; W22-W27 AromaticContact CZ3-CD2 3.78Å; W22-W27 HydrophobicContact CZ3-CD2 3.78Å; W22-W27 HydrophobicContact CZ3-CE3 4.04Å; W22-W27 AromaticContact CZ3-CG 3.95Å; W22-W27 HydrophobicContact CZ3-CG 3.95Å; W22-F29 HydrophobicContact CH2-CE1 4.07Å; W22-F29 AromaticContact CH2-CZ 3.65Å; W22-F29 HydrophobicContact CH2-CZ 3.65Å; W22-F29 AromaticContact CZ3-CZ 3.92Å; W22-F29 HydrophobicContact CZ3-CZ 3.92Å
23	Q	49.4	Very low	46.7	Very low	133 Å²	133	92 Å²	92	62%	0.621	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-92.1	153.4	177.8	-64.7	-66.1	-48.2	0	0	111.4	G25 W27	Q23-G25 PolarHBondContact O-N 3.42Å; Q23-W27 PolarHBondContact O-NE1 3.28Å
24	P	54.9	Low	47.7	Very low	76 Å²	76	92.5 Å²	92.5	49%	0.494	54%	0.536	S	S	.	.	S	Bend	trans	-51.4	129.9	167.4	-26.3	37.4	0	0	0	111.4	Y44	P24-Y44 CarbonylContact C-O 3.57Å; P24-Y44 WeakPolarHBondContact CA-O 3.14Å; P24-Y44 HydrophobicContact CG-CE1 4.5Å
25	G	54.8	Low	48.6	Very low	29 Å²	29	97.8 Å²	97.8	30%	0.299	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	170.2	176.4	-173.1	0	0	0	0	0	113.7	Q23 Y44	Q23-G25 PolarHBondContact O-N 3.42Å; G25-Y44 PolarHBondContact N-O 3.01Å; G25-Y44 PolarHBondContact O-N 2.96Å
26	S	57	Low	49.1	Very low	80 Å²	80	94.7 Å²	94.7	56%	0.559	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.6	169	-168.6	0	0	0	0	108.9
27	W	55.1	Low	50	Low	109 Å²	109	93.5 Å²	93.5	41%	0.413	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	125.3	179.8	-59.3	88.1	0	0	0	108	W22 Q23 F29 C42	W22-W27 HydrophobicContact CE3-CD2 4.11Å; W22-W27 AromaticContact CE3-CE2 3.98Å; W22-W27 HydrophobicContact CE3-CG 4.38Å; W22-W27 HydrophobicContact CE3-CZ2 4.37Å; W22-W27 HydrophobicContact CZ3-CB 4.43Å; W22-W27 AromaticContact CZ3-CD2 3.78Å; W22-W27 HydrophobicContact CZ3-CD2 3.78Å; W22-W27 HydrophobicContact CZ3-CE3 4.04Å; W22-W27 AromaticContact CZ3-CG 3.95Å; W22-W27 HydrophobicContact CZ3-CG 3.95Å; Q23-W27 PolarHBondContact O-NE1 3.28Å; W27-F29 HydrophobicContact CB-CE2 4.21Å; W27-C42 HydrophobicContact CB-CB 4.48Å; W27-C42 PolarHBondContact N-O 2.93Å; W27-C42 WeakPolarHBondContact O-CA 2.98Å; W27-C42 PolarHBondContact O-N 3.06Å
28	S	54.2	Low	50.7	Low	79 Å²	79	89.3 Å²	89.3	55%	0.552	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	131.2	172.4	52.8	0	0	0	0	109.7	I40	S28-I40 WeakPolarHBondContact CA-O 3.25Å
29	F	56.5	Low	51.3	Low	104 Å²	104	87 Å²	87	46%	0.456	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	117.8	167.7	-58.9	-89.7	0	0	0	106.7	W22 W27 V39 I40 C42	W22-F29 HydrophobicContact CH2-CE1 4.07Å; W22-F29 AromaticContact CH2-CZ 3.65Å; W22-F29 HydrophobicContact CH2-CZ 3.65Å; W22-F29 AromaticContact CZ3-CZ 3.92Å; W22-F29 HydrophobicContact CZ3-CZ 3.92Å; W27-F29 HydrophobicContact CB-CE2 4.21Å; F29-V39 CarbonylContact O-C 3.55Å; F29-V39 WeakPolarHBondContact O-CA 3.03Å; F29-I40 HydrophobicContact CB-CB 4.49Å; F29-I40 PolarHBondContact N-O 2.69Å; F29-I40 PolarHBondContact O-N 2.92Å; F29-C42 HydrophobicContact CD2-CB 4.4Å; F29-C42 HydrophobicContact CE2-CB 3.98Å
30	T	55.8	Low	52.3	Low	90 Å²	90	85.7 Å²	85.7	55%	0.552	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	114.6	175	-58.9	0	0	0	0	107.1	V37 V38 V39	T30-V37 HydrophobicContact CG2-CG1 3.46Å; T30-V37 VanDerWaalsContact CG2-CG1 3.46Å; T30-V38 WeakPolarHBondContact CA-O 3.3Å; T30-V39 HydrophobicContact CG2-CG2 4.02Å
31	E	53.1	Low	53.3	Low	120 Å²	120	80.8 Å²	80.8	56%	0.561	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.1	176.6	-164.5	164.2	-157.8	0	0	108.4	F33 V38	E31-F33 HydrophobicContact CB-CD2 4.39Å; E31-F33 HydrophobicContact CB-CE2 3.89Å; E31-F33 HydrophobicContact CG-CD2 4.34Å; E31-F33 HydrophobicContact CG-CE2 3.8Å; E31-F33 HydrophobicContact CG-CZ 4.12Å; E31-V38 PolarHBondContact N-O 2.89Å; E31-V38 PolarHBondContact O-N 3.19Å
32	M	51.8	Low	53.8	Low	118 Å²	118	78.6 Å²	78.6	58%	0.581	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	119.1	173.6	-65.2	-164.7	-50.5	0	0	107.7	M1 V37	M1-M32 HydrophobicContact SD-SD 4.18Å; M32-V37 HydrophobicContact CG-CG2 4.22Å
33	F	46.3	Very low	54.3	Low	89 Å²	89	75.3 Å²	75.3	39%	0.39	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	107.6	166.8	-74.1	-84.3	0	0	0	107.1	E31 D35 T36 V38	E31-F33 HydrophobicContact CB-CD2 4.39Å; E31-F33 HydrophobicContact CB-CE2 3.89Å; E31-F33 HydrophobicContact CG-CD2 4.34Å; E31-F33 HydrophobicContact CG-CE2 3.8Å; E31-F33 HydrophobicContact CG-CZ 4.12Å; F33-D35 PolarHBondContact O-N 3.02Å; F33-T36 CarbonylContact C-O 3.49Å; F33-T36 PolarHBondContact N-O 3.13Å; F33-T36 WeakPolarHBondContact O-CA 3.5Å; F33-T36 PolarHBondContact O-N 3.09Å; F33-V38 HydrophobicContact CD2-CB 4.04Å; F33-V38 HydrophobicContact CD2-CG2 3.71Å; F33-V38 HydrophobicContact CE2-CB 4.44Å; F33-V38 HydrophobicContact CE2-CG2 4.45Å
34	E	67.2	Low	54.5	Low	75 Å²	75	70.8 Å²	70.8	35%	0.35	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	-123.1	-176.7	-51.6	171.6	171.3	0	0	111.6	T36 A453 S457	E34-T36 VanDerWaalsContact C-N 3.31Å; E34-A453 WeakPolarHBondContact OE2-CB 3.46Å; E34-S457 WeakPolarHBondContact CG-OG 3.42Å; E34-S457 WeakPolarHBondContact OE1-CB 3.49Å; E34-S457 PolarHBondContact OE1-OG 3.42Å
35	D	62.9	Low	54.3	Low	133 Å²	133	74.5 Å²	74.5	71%	0.711	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	18.3	176	-61.2	-34.4	0	0	0	112.1	A3 P4 F33	A3-D35 CarbonylContact C-O 3.54Å; A3-D35 WeakPolarHBondContact CA-O 3.3Å; A3-D35 VanDerWaalsContact CB-C 3.48Å; A3-D35 WeakPolarHBondContact CB-O 3.02Å; P4-D35 WeakPolarHBondContact CD-O 3.41Å; F33-D35 PolarHBondContact O-N 3.02Å
36	T	47.6	Very low	53.7	Low	41 Å²	41	74.5 Å²	74.5	25%	0.252	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	124.9	179.1	-56.6	0	0	0	0	110.7	P4 V6 F33 E34 V38	P4-T36 CarbonylContact O-C 3.57Å; P4-T36 VanDerWaalsContact O-CA 3.26Å; P4-T36 WeakPolarHBondContact O-CA 3.38Å; P4-T36 WeakPolarHBondContact O-CG2 3.12Å; V6-T36 HydrophobicContact CB-CG2 4.29Å; V6-T36 HydrophobicContact CG2-CG2 3.67Å; F33-T36 CarbonylContact C-O 3.49Å; F33-T36 PolarHBondContact N-O 3.13Å; F33-T36 WeakPolarHBondContact O-CA 3.5Å; F33-T36 PolarHBondContact O-N 3.09Å; E34-T36 VanDerWaalsContact C-N 3.31Å; T36-V38 HydrophobicContact CG2-CG2 4.47Å
37	V	58.1	Low	52.8	Low	24 Å²	24	75.1 Å²	75.1	15%	0.145	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	115.8	173.4	-174.3	0	0	0	0	108.4	A3 P4 V5 V6 T30 M32 V39	A3-V37 HydrophobicContact CB-CG2 3.9Å; P4-V37 PolarHBondContact O-N 2.97Å; V5-V37 CarbonylContact C-O 3.56Å; V5-V37 VanDerWaalsContact CA-O 3.26Å; V5-V37 WeakPolarHBondContact CA-O 3.47Å; V5-V37 HydrophobicContact CG1-CB 4.42Å; V5-V37 HydrophobicContact CG2-CB 4.15Å; V6-V37 PolarHBondContact N-O 3.27Å; T30-V37 HydrophobicContact CG2-CG1 3.46Å; T30-V37 VanDerWaalsContact CG2-CG1 3.46Å; M32-V37 HydrophobicContact CG-CG2 4.22Å; V37-V39 HydrophobicContact CG1-CG2 4.02Å
38	V	51.3	Low	51.7	Low	36 Å²	36	72.8 Å²	72.8	22%	0.218	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	119	172.9	-177.2	0	0	0	0	108.6	V6 T30 E31 F33 T36 I40	V6-V38 VanDerWaalsContact O-CA 3.31Å; V6-V38 WeakPolarHBondContact O-CA 3.36Å; T30-V38 WeakPolarHBondContact CA-O 3.3Å; E31-V38 PolarHBondContact N-O 2.89Å; E31-V38 PolarHBondContact O-N 3.19Å; F33-V38 HydrophobicContact CD2-CB 4.04Å; F33-V38 HydrophobicContact CD2-CG2 3.71Å; F33-V38 HydrophobicContact CE2-CB 4.44Å; F33-V38 HydrophobicContact CE2-CG2 4.45Å; T36-V38 HydrophobicContact CG2-CG2 4.47Å; V38-I40 HydrophobicContact CG1-CG1 4.08Å
39	V	53.2	Low	50.4	Low	27 Å²	27	74.2 Å²	74.2	16%	0.164	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	111.3	175.5	-175.5	0	0	0	0	108.8	V5 V6 S7 G8 F29 T30 V37 E41	V5-V39 HydrophobicContact CG1-CG2 3.94Å; V6-V39 PolarHBondContact O-N 3.15Å; S7-V39 VanDerWaalsContact CA-O 3.3Å; S7-V39 WeakPolarHBondContact CA-O 3.38Å; G8-V39 PolarHBondContact N-O 3.33Å; F29-V39 CarbonylContact O-C 3.55Å; F29-V39 WeakPolarHBondContact O-CA 3.03Å; T30-V39 HydrophobicContact CG2-CG2 4.02Å; V37-V39 HydrophobicContact CG1-CG2 4.02Å; V39-E41 HydrophobicContact CG1-CG 4.48Å
40	I	56.5	Low	48.8	Very low	69 Å²	69	77 Å²	77	35%	0.354	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	109.7	172.9	-54.6	179.7	0	0	0	108.5	G8 V10 S28 F29 V38	G8-I40 WeakPolarHBondContact O-CA 3.22Å; V10-I40 HydrophobicContact CB-CG2 4.35Å; V10-I40 HydrophobicContact CG2-CG2 3.83Å; S28-I40 WeakPolarHBondContact CA-O 3.25Å; F29-I40 HydrophobicContact CB-CB 4.49Å; F29-I40 PolarHBondContact N-O 2.69Å; F29-I40 PolarHBondContact O-N 2.92Å; V38-I40 HydrophobicContact CG1-CG1 4.08Å
41	E	52.1	Low	47.2	Very low	88 Å²	88	79.2 Å²	79.2	41%	0.411	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	111.5	169.4	-75.4	-170.7	160	0	0	110.1	G8 T9 V10 V39	G8-E41 PolarHBondContact O-N 3.42Å; T9-E41 CarbonylContact C-O 3.56Å; T9-E41 WeakPolarHBondContact CA-O 3.39Å; T9-E41 HydrophobicContact CG2-CB 4.28Å; T9-E41 WeakPolarHBondContact CG2-O 3.23Å; V10-E41 PolarHBondContact N-O 2.77Å; V39-E41 HydrophobicContact CG1-CG 4.48Å
42	C	48.8	Very low	45.8	Very low	19 Å²	19	78.3 Å²	78.3	13%	0.128	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	111.7	173.7	-73.9	0	0	0	0	110	V10 W27 F29	V10-C42 WeakPolarHBondContact O-CA 3.42Å; W27-C42 HydrophobicContact CB-CB 4.48Å; W27-C42 PolarHBondContact N-O 2.93Å; W27-C42 WeakPolarHBondContact O-CA 2.98Å; W27-C42 PolarHBondContact O-N 3.06Å; F29-C42 HydrophobicContact CD2-CB 4.4Å; F29-C42 HydrophobicContact CE2-CB 3.98Å
43	V	54.1	Low	44.5	Very low	43 Å²	43	80.3 Å²	80.3	26%	0.261	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	118.2	171.8	-176.5	0	0	0	0	108.7	T9 V10 L12	T9-V43 HydrophobicContact CG2-CG2 4.5Å; V10-V43 PolarHBondContact O-N 3.3Å; L12-V43 PolarHBondContact N-O 3.49Å
44	Y	53.4	Low	43.4	Very low	38 Å²	38	83.9 Å²	83.9	15%	0.149	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	114.5	177	179.6	-119.3	0	0	0	110.7	L12 F18 P24 G25	L12-Y44 HydrophobicContact CB-CD2 4.44Å; L12-Y44 VanDerWaalsContact O-CD2 3.31Å; L12-Y44 WeakPolarHBondContact O-CD2 3.12Å; F18-Y44 HydrophobicContact CD2-CE1 4.44Å; F18-Y44 HydrophobicContact CD2-CE2 4.31Å; F18-Y44 HydrophobicContact CE2-CD1 4.49Å; F18-Y44 AromaticContact CE2-CD2 3.81Å; F18-Y44 HydrophobicContact CE2-CD2 3.81Å; F18-Y44 HydrophobicContact CE2-CE1 4.47Å; F18-Y44 AromaticContact CE2-CE2 3.78Å; F18-Y44 HydrophobicContact CE2-CE2 3.78Å; F18-Y44 HydrophobicContact CE2-CG 4.2Å; P24-Y44 CarbonylContact C-O 3.57Å; P24-Y44 WeakPolarHBondContact CA-O 3.14Å; P24-Y44 HydrophobicContact CG-CE1 4.5Å; G25-Y44 PolarHBondContact N-O 3.01Å; G25-Y44 PolarHBondContact O-N 2.96Å
45	K	49.7	Very low	41.3	Very low	153 Å²	153	86 Å²	86	67%	0.665	50%	0.499	S	S	*	.			trans	-97.3	102.7	167.3	-74.7	-176.2	177.7	178.2	0	108.4	C47	K45-C47 PolarHBondContact O-N 3.35Å
46	G	42.1	Very low	39.7	Very low	30 Å²	30	87 Å²	87	31%	0.309	50%	0.503	S	S	.	.			trans	-54.7	127.6	175.2	0	0	0	0	0	111.5	G48	G46-G48 PolarHBondContact O-N 2.94Å
47	C	39.8	Very low	38.5	Very low	92 Å²	92	90.8 Å²	90.8	62%	0.622	53%	0.528	S	S	*	.			trans	-79.6	96	172	-171.7	0	0	0	0	108	K45 S49	K45-C47 PolarHBondContact O-N 3.35Å; C47-S49 PolarHBondContact O-N 3.48Å
48	G	32.3	Very low	37	Very low	60 Å²	60	101.2 Å²	101.2	62%	0.619	57%	0.565	S	S	*	*			trans	-64	112.8	162.7	0	0	0	0	0	108.1	G46 I50	G46-G48 PolarHBondContact O-N 2.94Å; G48-I50 PolarHBondContact O-N 3.14Å
49	S	25	Very low	35.9	Very low	110 Å²	110	104 Å²	104	77%	0.769	59%	0.592	S	S	*	*			trans	-59.9	82.8	167	-58.6	0	0	0	0	109.3	C47 D51	C47-S49 PolarHBondContact O-N 3.48Å; S49-D51 PolarHBondContact O-N 3.17Å
50	I	24.7	Very low	34.5	Very low	162 Å²	162	112.3 Å²	112.3	83%	0.831	63%	0.626	S	S	*	*			trans	-92.6	90.3	161.6	-59.9	177.6	0	0	0	105.4	G48	G48-I50 PolarHBondContact O-N 3.14Å
51	D	21.5	Very low	33.1	Very low	136 Å²	136	113.2 Å²	113.2	73%	0.727	64%	0.644	S	S	*	*			trans	-50.8	146.4	158.8	-85.1	-41	0	0	0	110.3	S49	S49-D51 PolarHBondContact O-N 3.17Å
52	C	23.7	Very low	31.8	Very low	101 Å²	101	117.1 Å²	117.1	68%	0.682	67%	0.667	S	S	*	*			trans	95.8	109	153.5	-59.1	0	0	0	0	120
53	L	23.9	Very low	30.5	Very low	160 Å²	160	127.3 Å²	127.3	84%	0.838	70%	0.702	S	S	*	*				70.8	75.9	123.6	-59	169.6	0	0	0	117.5
54	I	23.4	Very low	29.1	Very low	165 Å²	165	131.2 Å²	131.2	85%	0.846	73%	0.726	S	S	*	*			trans	-112	107.5	150	-55.6	176	0	0	0	107	L56	I54-L56 PolarHBondContact O-N 2.69Å
55	P	24	Very low	27.7	Very low	119 Å²	119	135.2 Å²	135.2	77%	0.773	76%	0.757	S	S	*	*			trans	-71.1	125.6	179.6	8.7	0.9	0	0	0	109.9
56	L	27.6	Very low	26.5	Very low	153 Å²	153	132.5 Å²	132.5	80%	0.801	76%	0.757	S	S	*	*			trans	-47.3	136.2	172.4	-74.6	154.9	0	0	0	111.1	I54 R58	I54-L56 PolarHBondContact O-N 2.69Å; L56-R58 PolarHBondContact O-N 2.95Å
57	P	24	Very low	25.7	Very low	121 Å²	121	137.8 Å²	137.8	79%	0.786	78%	0.784	S	S	*	*			trans	-63.3	115.1	175.6	-12.7	26	0	0	0	108.6	A59	P57-A59 PolarHBondContact O-N 3.4Å
58	R	25.3	Very low	24.9	Very low	244 Å²	244	142.3 Å²	142.3	92%	0.921	79%	0.793	S	S	*	*			trans	-51.8	111.8	169.4	-90.1	-179.8	168.6	143.4	-2.5	108	L56 K60	L56-R58 PolarHBondContact O-N 2.95Å; R58-K60 PolarHBondContact O-N 3.18Å
59	A	28.4	Very low	24.6	Very low	94 Å²	94	143.5 Å²	143.5	78%	0.777	80%	0.797	S	S	*	*			trans	-45.8	119.3	165.6	0	0	0	0	0	107.3	P57 A61	P57-A59 PolarHBondContact O-N 3.4Å; A59-A61 PolarHBondContact O-N 2.71Å
60	K	24.1	Very low	24.5	Very low	201 Å²	201	146 Å²	146	87%	0.874	80%	0.802	S	S	*	*			trans	-60.2	95.5	168.5	-76.4	178.6	178.9	174.3	0	105.6	R58 L62	R58-K60 PolarHBondContact O-N 3.18Å; K60-L62 VanDerWaalsContact C-N 3.28Å; K60-L62 PolarHBondContact O-N 2.89Å
61	A	26.5	Very low	24.3	Very low	89 Å²	89	143.7 Å²	143.7	74%	0.736	80%	0.8	S	S	*	*			trans	-54.4	103.7	162.2	0	0	0	0	0	105.4	A59 R63	A59-A61 PolarHBondContact O-N 2.71Å; A61-R63 PolarHBondContact O-N 3.46Å
62	L	25.4	Very low	24.6	Very low	169 Å²	169	141.9 Å²	141.9	89%	0.885	80%	0.798	S	S	*	*			trans	-55.2	97.2	168.2	-85.1	152.4	0	0	0	105.8	K60 T64	K60-L62 VanDerWaalsContact C-N 3.28Å; K60-L62 PolarHBondContact O-N 2.89Å; L62-T64 PolarHBondContact O-N 3.44Å
63	R	21.8	Very low	24.7	Very low	233 Å²	233	143.4 Å²	143.4	88%	0.879	81%	0.805	S	S	*	*			trans	-59.2	112.2	166.2	-80.7	-174.5	174.4	-172.9	-1	106	A61	A61-R63 PolarHBondContact O-N 3.46Å
64	T	25.2	Very low	25	Very low	125 Å²	125	141.4 Å²	141.4	77%	0.767	80%	0.801	S	S	*	*			trans	-53.3	129.7	162.8	45.1	0	0	0	0	107.9	L62 S66	L62-T64 PolarHBondContact O-N 3.44Å; T64-S66 PolarHBondContact O-N 3.5Å; T64-S66 VanDerWaalsContact O-N 3.09Å
65	P	23.3	Very low	25	Very low	122 Å²	122	145.6 Å²	145.6	79%	0.792	81%	0.806	S	S	*	*			trans	-68.8	114	-174.1	24.2	-30.1	0	0	0	109.6	V67	P65-V67 PolarHBondContact O-N 3.21Å; P65-V67 VanDerWaalsContact O-N 3.16Å
66	S	24.1	Very low	24.8	Very low	96 Å²	96	146.6 Å²	146.6	67%	0.671	81%	0.81	S	S	*	*			trans	-63.6	111.2	165.5	57	0	0	0	0	108.5	T64 F68	T64-S66 PolarHBondContact O-N 3.5Å; T64-S66 VanDerWaalsContact O-N 3.09Å; S66-F68 VanDerWaalsContact C-N 3.29Å; S66-F68 PolarHBondContact O-N 2.83Å
67	V	25.9	Very low	24.7	Very low	142 Å²	142	142.7 Å²	142.7	86%	0.861	81%	0.807	S	S	*	*			trans	-65.9	89.1	169.9	179.8	0	0	0	0	107.8	P65	P65-V67 PolarHBondContact O-N 3.21Å; P65-V67 VanDerWaalsContact O-N 3.16Å
68	F	23.8	Very low	24.6	Very low	186 Å²	186	147 Å²	147	82%	0.816	81%	0.813	S	S	*	*			trans	-88.3	118.4	162.6	-99.2	-83	0	0	0	108.8	S66 N70	S66-F68 VanDerWaalsContact C-N 3.29Å; S66-F68 PolarHBondContact O-N 2.83Å; F68-N70 PolarHBondContact O-N 3.16Å
69	A	24.9	Very low	24.5	Very low	86 Å²	86	141.1 Å²	141.1	71%	0.711	80%	0.804	S	S	*	*			trans	-55.1	114.1	174.1	0	0	0	0	0	110.8
70	N	23.6	Very low	24.2	Very low	163 Å²	163	142.9 Å²	142.9	87%	0.872	81%	0.805	S	S	*	*			trans	-90.6	99.2	155.1	-83.8	-12.1	0	0	0	108.2	F68	F68-N70 PolarHBondContact O-N 3.16Å
71	S	21	Very low	23.9	Very low	112 Å²	112	144 Å²	144	78%	0.783	80%	0.804	S	S	*	*			trans	-61.8	120.4	157.9	50.9	0	0	0	0	110.9
72	S	27	Very low	23.7	Very low	99 Å²	99	151.1 Å²	151.1	69%	0.692	81%	0.812	S	S	*	*			trans	-170.9	92.8	145.4	55.3	0	0	0	0	111
73	T	25.3	Very low	23.5	Very low	133 Å²	133	148.9 Å²	148.9	82%	0.816	81%	0.807	S	S	*	*				45.3	159.2	126.1	65.3	0	0	0	0	121.8
74	P	31.1	Very low	23.5	Very low	117 Å²	117	144.8 Å²	144.8	76%	0.76	81%	0.808	S	S	*	*				-126.6	151.9	-79.5	30.4	-9.8	0	0	0	112
75	R	22.2	Very low	23.4	Very low	253 Å²	253	144.3 Å²	144.3	96%	0.955	81%	0.81	S	S	*	*			trans	-125.9	111.1	163.9	-109.4	-178.2	177.2	-177.1	-0.4	111.3
76	T	21.4	Very low	23.2	Very low	141 Å²	141	148.6 Å²	148.6	87%	0.865	81%	0.81	S	S	*	*			trans	-52.9	127.4	167.2	49.8	0	0	0	0	111.7
77	G	24.2	Very low	23.1	Very low	71 Å²	71	152.4 Å²	152.4	73%	0.732	82%	0.823	S	S	*	*			trans	-161.5	102.3	175.2	0	0	0	0	0	111.2	V79	G77-V79 PolarHBondContact O-N 3.27Å
78	K	22.3	Very low	22.8	Very low	210 Å²	210	149.4 Å²	149.4	91%	0.913	81%	0.808	S	S	*	*			trans	-44.3	122.9	-174.1	-69.7	165.7	174.4	173.5	0	114.7
79	V	22.9	Very low	22.8	Very low	121 Å²	121	147.8 Å²	147.8	73%	0.733	81%	0.807	S	S	*	*			trans	-84.3	113.9	165.5	173.3	0	0	0	0	108.8	G77 R81	G77-V79 PolarHBondContact O-N 3.27Å; V79-R81 HydrophobicContact CG1-CG 3.96Å
80	V	21.9	Very low	22.6	Very low	131 Å²	131	149 Å²	149	79%	0.794	81%	0.806	S	S	*	*			trans	-89.6	107.7	168.7	175	0	0	0	0	107.7
81	R	18.9	Very low	22.6	Very low	226 Å²	226	148.6 Å²	148.6	85%	0.853	80%	0.796	S	S	*	*			trans	-98.2	131.4	168.1	-79.3	175.8	174.7	167.4	-1.8	109	V79	V79-R81 HydrophobicContact CG1-CG 3.96Å
82	R	20.6	Very low	22.5	Very low	238 Å²	238	151 Å²	151	90%	0.898	80%	0.796	S	S	*	*			trans	-128.2	150.9	160.8	-91.9	-171.5	170.2	171	-2.1	109.6
83	P	22.5	Very low	22.2	Very low	122 Å²	122	149.9 Å²	149.9	79%	0.792	80%	0.799	S	S	*	*				-111.3	159.4	-127.8	36.9	-29.4	0	0	0	114.7
84	V	21.5	Very low	22.1	Very low	147 Å²	147	151.1 Å²	151.1	89%	0.891	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-78.6	134.6	171	172.9	0	0	0	0	109.9
85	S	22.2	Very low	21.6	Very low	115 Å²	115	150.9 Å²	150.9	80%	0.804	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-83.8	141.1	171.6	-171.3	0	0	0	0	111.6
86	R	19.8	Very low	21.5	Very low	212 Å²	212	145.6 Å²	145.6	80%	0.8	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-77.6	143.2	-169.5	-151	174.9	-170.7	157.5	0.3	110.7
87	N	22.2	Very low	21.5	Very low	175 Å²	175	145.9 Å²	145.9	94%	0.936	78%	0.782	S	S	*	*			trans	-141.4	132.4	142.7	-102.5	-8.9	0	0	0	109.6
88	S	19.7	Very low	21.4	Very low	79 Å²	79	148.3 Å²	148.3	55%	0.552	78%	0.783	S	S	*	*			trans	-114.6	166	-169.1	-38	0	0	0	0	108.8
89	L	23.9	Very low	21.5	Very low	152 Å²	152	143.9 Å²	143.9	80%	0.796	78%	0.776	S	S	*	*			trans	133.6	97.9	153.5	-71.4	154.2	0	0	0	110.4
90	T	21.1	Very low	21.2	Very low	113 Å²	113	147 Å²	147	69%	0.693	78%	0.782	S	S	*	*				70.6	134	93.2	59.4	0	0	0	0	112.6
91	K	21.7	Very low	21.3	Very low	153 Å²	153	150.7 Å²	150.7	67%	0.665	79%	0.788	S	S	*	*			cis	176.6	153.1	45.3	-127	163.2	172.6	-102	0	109.4
92	E	20.4	Very low	21.3	Very low	164 Å²	164	148.5 Å²	148.5	77%	0.766	79%	0.787	S	S	*	*			trans	60.5	144.4	143.1	-70.2	158.8	-169	0	0	119.9
93	G	20.5	Very low	21.4	Very low	74 Å²	74	145 Å²	145	76%	0.763	79%	0.786	S	S	*	*			cis	167.6	173.7	7.2	0	0	0	0	0	110.4
94	N	22.8	Very low	21.3	Very low	159 Å²	159	143.8 Å²	143.8	85%	0.85	78%	0.781	S	S	*	*			trans	79.4	116.3	177	-91.1	3.3	0	0	0	118.9
95	V	20.2	Very low	21.4	Very low	113 Å²	113	145 Å²	145	69%	0.685	78%	0.777	S	S	*	*			cis	83.1	105.9	42.6	-176.8	0	0	0	0	113.5
96	D	19.9	Very low	21.3	Very low	141 Å²	141	146.2 Å²	146.2	75%	0.754	77%	0.773	S	S	*	*				137.1	135.7	118.6	-107.8	-15	0	0	0	119.9
97	I	23.1	Very low	21.4	Very low	148 Å²	148	144.9 Å²	144.9	76%	0.759	77%	0.773	S	S	*	*			trans	93.4	121.1	149	-56.7	155.1	0	0	0	121.9
98	T	20.7	Very low	21.2	Very low	121 Å²	121	142.9 Å²	142.9	74%	0.742	77%	0.773	S	S	*	*			trans	-68.4	160.9	171.9	48	0	0	0	0	115.1
99	P	24.2	Very low	21.3	Very low	117 Å²	117	143.7 Å²	143.7	76%	0.76	78%	0.779	S	S	*	*				-150.8	151.8	73.6	36.7	-14.7	0	0	0	119.3
100	E	18	Very low	21.2	Very low	186 Å²	186	141.3 Å²	141.3	87%	0.869	77%	0.774	S	S	*	*			trans	21.5	119.2	141.5	-62.1	176.5	166.3	0	0	122.5
101	K	23.9	Very low	21.2	Very low	209 Å²	209	141.8 Å²	141.8	91%	0.909	78%	0.783	S	S	*	*				-170.6	144.9	115.7	-110.2	177.5	-179	177.7	0	113.1
102	E	18.1	Very low	21.4	Very low	180 Å²	180	139.9 Å²	139.9	84%	0.841	79%	0.788	S	S	*	*			trans	-63	133.5	-175.8	-60.4	161.4	142	0	0	113.8
103	N	23.1	Very low	21.6	Very low	164 Å²	164	137 Å²	137	88%	0.877	79%	0.786	S	S	*	*				-173.5	138	126	-92.5	-23.3	0	0	0	110.9
104	S	20.8	Very low	21.9	Very low	98 Å²	98	142.1 Å²	142.1	69%	0.685	79%	0.79	S	S	*	*			trans	-79.5	144	-166.7	40.9	0	0	0	0	115.2
105	E	22	Very low	22	Very low	172 Å²	172	143.8 Å²	143.8	80%	0.804	79%	0.793	S	S	*	*			trans	76.5	84.2	143.6	-64.8	176.1	-166.6	0	0	118.3
106	I	20.4	Very low	22.2	Very low	141 Å²	141	146.2 Å²	146.2	72%	0.723	80%	0.8	S	S	*	*				75.2	94.6	85	-56.5	162	0	0	0	114
107	F	22.5	Very low	22.5	Very low	184 Å²	184	147.6 Å²	147.6	81%	0.807	81%	0.806	S	S	*	*				177.1	94.6	111.1	-108.7	-76.2	0	0	0	109.3
108	S	17.4	Very low	22.5	Very low	132 Å²	132	149.6 Å²	149.6	92%	0.923	81%	0.81	S	S	*	*			trans	-145.1	106.7	162.4	-69	0	0	0	0	107.9
109	S	21.9	Very low	22.6	Very low	97 Å²	97	153 Å²	153	68%	0.678	82%	0.815	S	S	*	*			trans	-140.7	128.7	164.6	58.3	0	0	0	0	105.4
110	S	21.7	Very low	22.5	Very low	101 Å²	101	158.6 Å²	158.6	71%	0.706	82%	0.822	S	S	*	*			cis	-173.7	126.4	7.6	29	0	0	0	0	106	S112	S110-S112 PolarHBondContact O-N 3.34Å
111	S	22	Very low	22.7	Very low	124 Å²	124	154.7 Å²	154.7	87%	0.867	82%	0.815	S	S	*	*			trans	-68.9	104.6	158.2	-79.7	0	0	0	0	108.2
112	S	25.8	Very low	22.7	Very low	112 Å²	112	152.8 Å²	152.8	78%	0.783	82%	0.815	S	S	*	*			trans	-112	68	157.9	-73.5	0	0	0	0	109.2	S110 Q114	S110-S112 PolarHBondContact O-N 3.34Å; S112-Q114 PolarHBondContact O-N 3Å
113	S	25.7	Very low	23	Very low	104 Å²	104	148 Å²	148	73%	0.727	81%	0.814	S	S	*	*			trans	-67.5	99.7	145.2	-67.9	0	0	0	0	107.1
114	Q	26.8	Very low	23.2	Very low	181 Å²	181	147.8 Å²	147.8	85%	0.846	81%	0.81	S	S	*	*			trans	168.2	70.1	153.5	-93.3	167.3	37.4	0	0	109.4	S112	S112-Q114 PolarHBondContact O-N 3Å
115	H	24.3	Very low	23.6	Very low	194 Å²	194	147.3 Å²	147.3	90%	0.898	81%	0.806	S	S	*	*			trans	-148.7	9	156.7	-107.4	-74.2	0	0	0	114.5
116	I	25.1	Very low	23.9	Very low	165 Å²	165	147.7 Å²	147.7	85%	0.846	81%	0.808	S	S	*	*	S	Bend	trans	-102.9	84	168.2	-53	177.6	0	0	0	107.5
117	L	25.3	Very low	24.4	Very low	169 Å²	169	148.8 Å²	148.8	89%	0.885	81%	0.81	S	S	*	*	S	Bend	trans	173.8	76.6	158.7	-96.7	151.9	0	0	0	107.8
118	K	22.3	Very low	24.7	Very low	190 Å²	190	149.3 Å²	149.3	83%	0.826	81%	0.807	S	S	*	*	S	Bend	trans	-165.7	1.3	159.6	-112	168.6	-168.4	-178.7	0	116.4
119	F	22.9	Very low	25.2	Very low	194 Å²	194	150 Å²	150	85%	0.851	80%	0.796	S	S	*	*	S	Bend	trans	-118.3	89.7	166.1	-69.9	-80.8	0	0	0	107.5
120	Y	23.7	Very low	25.3	Very low	234 Å²	234	154.5 Å²	154.5	92%	0.918	80%	0.799	S	S	*	*			trans	163.1	65.5	154.4	-81	-60.8	0	0	0	106.8
121	S	21.9	Very low	25.8	Very low	103 Å²	103	153.1 Å²	153.1	72%	0.72	79%	0.789	S	S	*	*			trans	-138.7	83.4	170.5	-47.1	0	0	0	0	106
122	N	24.2	Very low	26.4	Very low	169 Å²	169	150 Å²	150	90%	0.904	77%	0.768	S	S	*	*	S	Bend	trans	-163.8	106.3	156.8	-96.4	-12.3	0	0	0	109.3
123	G	24.3	Very low	26.6	Very low	80 Å²	80	153.1 Å²	153.1	83%	0.825	76%	0.763	S	S	*	*			trans	64.4	86.8	149.9	0	0	0	0	0	118.1
124	M	25.6	Very low	26.8	Very low	160 Å²	160	154.8 Å²	154.8	79%	0.788	76%	0.76	S	S	*	*			trans	-127.7	123	152.9	-77.2	177.6	70.5	0	0	109.2
125	S	29.1	Very low	27.2	Very low	87 Å²	87	150 Å²	150	61%	0.608	74%	0.743	S	S	*	*			trans	-67.1	158.8	-163.7	44	0	0	0	0	115.4	Q127	S125-Q127 PolarHBondContact O-N 3.12Å
126	E	29.9	Very low	27.6	Very low	181 Å²	181	150.1 Å²	150.1	85%	0.846	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.9	-5.3	-176.3	-64.8	171.6	157.2	0	0	116.6	R128 Q129	E126-R128 VanDerWaalsContact C-N 3.25Å; E126-R128 PolarHBondContact O-N 3.46Å; E126-Q129 PolarHBondContact O-N 3.19Å
127	Q	30.1	Very low	28	Very low	164 Å²	164	145.3 Å²	145.3	77%	0.766	72%	0.721	S	S	*	*	H	α-helix	trans	-65.5	-19.5	-179	-79.8	177.9	-36.8	0	0	114.6	S125	S125-Q127 PolarHBondContact O-N 3.12Å
128	R	28.5	Very low	28.4	Very low	195 Å²	195	139.7 Å²	139.7	74%	0.736	70%	0.698	S	S	*	*	H	α-helix	trans	-78.2	-21.3	-179.7	-81	-172.5	176.3	-170.5	-0.6	114.9	E126	E126-R128 VanDerWaalsContact C-N 3.25Å; E126-R128 PolarHBondContact O-N 3.46Å
129	Q	27.7	Very low	29	Very low	146 Å²	146	134.9 Å²	134.9	68%	0.682	69%	0.685	S	S	*	*	H	α-helix	trans	-75	-36.6	-175.9	-74.7	-178	-17.6	0	0	112.5	E126 S131 S132 Y133	E126-Q129 PolarHBondContact O-N 3.19Å; Q129-S131 PolarHBondContact O-N 3.38Å; Q129-S132 PolarHBondContact O-N 3.37Å; Q129-S132 PolarHBondContact O-OG 3.34Å; Q129-Y133 WeakPolarHBondContact O-CD2 3.44Å
130	Y	25.4	Very low	29.5	Very low	192 Å²	192	135.1 Å²	135.1	75%	0.753	68%	0.68	S	S	*	*	H	α-helix	trans	-68.5	-32.8	-179.1	-120.3	-93.6	0	0	0	113.7	S132	Y130-S132 PolarHBondContact O-N 3.05Å
131	S	31.7	Very low	29.8	Very low	71 Å²	71	130.8 Å²	130.8	50%	0.497	67%	0.666	S	S	.	*	H	α-helix	trans	-65.6	-36.2	178.8	169.7	0	0	0	0	112.5	Q129 Y133 Q134 T135	Q129-S131 PolarHBondContact O-N 3.38Å; S131-Y133 VanDerWaalsContact C-N 3.34Å; S131-Y133 PolarHBondContact O-N 2.88Å; S131-Q134 PolarHBondContact O-N 2.87Å; S131-T135 PolarHBondContact O-N 2.89Å; S131-T135 VanDerWaalsContact O-N 3.16Å; S131-T135 PolarHBondContact O-OG1 3.42Å
132	S	33.7	Very low	30.3	Very low	59 Å²	59	132.1 Å²	132.1	41%	0.413	66%	0.664	S	S	.	*	H	α-helix	trans	-66.9	-31.1	-174.3	73.7	0	0	0	0	114.3	Q129 Y130 R136	Q129-S132 PolarHBondContact O-N 3.37Å; Q129-S132 PolarHBondContact O-OG 3.34Å; Y130-S132 PolarHBondContact O-N 3.05Å; S132-R136 PolarHBondContact O-N 3.43Å
133	Y	29.6	Very low	30.6	Very low	178 Å²	178	127.8 Å²	127.8	70%	0.698	65%	0.652	S	S	*	*	H	α-helix	trans	-74.3	-37.8	178.8	-72.3	-79.4	0	0	0	111.9	Q129 S131 R136 A137	Q129-Y133 WeakPolarHBondContact O-CD2 3.44Å; S131-Y133 VanDerWaalsContact C-N 3.34Å; S131-Y133 PolarHBondContact O-N 2.88Å; Y133-R136 PolarHBondContact O-N 2.84Å; Y133-A137 PolarHBondContact O-N 2.89Å
134	Q	31.3	Very low	30.8	Very low	139 Å²	139	130.6 Å²	130.6	65%	0.65	65%	0.648	S	S	*	*	H	α-helix	trans	-68.6	-37.4	176.7	-67.2	-176.7	-1.3	0	0	111.5	S131 R136 A137 A138	S131-Q134 PolarHBondContact O-N 2.87Å; Q134-R136 VanDerWaalsContact C-N 3.35Å; Q134-R136 PolarHBondContact O-N 2.54Å; Q134-A137 PolarHBondContact O-N 3.18Å; Q134-A138 PolarHBondContact O-N 3.01Å; Q134-A138 VanDerWaalsContact O-N 3.12Å
135	T	35.4	Very low	30.9	Very low	81 Å²	81	128.4 Å²	128.4	50%	0.497	64%	0.636	S	S	.	*	H	α-helix	trans	-62	-40.3	175.5	-48	0	0	0	0	111.9	S131 V139	S131-T135 PolarHBondContact O-N 2.89Å; S131-T135 VanDerWaalsContact O-N 3.16Å; S131-T135 PolarHBondContact O-OG1 3.42Å; T135-V139 WeakPolarHBondContact O-CG2 3.43Å; T135-V139 PolarHBondContact O-N 3.06Å
136	R	32.5	Very low	30.8	Very low	195 Å²	195	128.8 Å²	128.8	74%	0.736	64%	0.639	S	S	*	*	H	α-helix	trans	-69.6	-35.7	179.5	-83.3	-177.6	163.8	-173.2	-4	113.8	S132 Y133 Q134 R140	S132-R136 PolarHBondContact O-N 3.43Å; Y133-R136 PolarHBondContact O-N 2.84Å; Q134-R136 VanDerWaalsContact C-N 3.35Å; Q134-R136 PolarHBondContact O-N 2.54Å; R136-R140 PolarHBondContact O-N 2.9Å; R136-R140 VanDerWaalsContact O-N 3.16Å
137	A	33.7	Very low	31	Very low	65 Å²	65	124.8 Å²	124.8	54%	0.537	63%	0.627	S	S	.	*	H	α-helix	trans	-68.9	-41.8	176.6	0	0	0	0	0	111.5	Y133 Q134 R140 K141	Y133-A137 PolarHBondContact O-N 2.89Å; Q134-A137 PolarHBondContact O-N 3.18Å; A137-R140 PolarHBondContact O-N 2.76Å; A137-K141 PolarHBondContact O-N 2.94Å; A137-K141 VanDerWaalsContact O-N 3.08Å
138	A	33.9	Very low	31.1	Very low	50 Å²	50	118.7 Å²	118.7	41%	0.413	60%	0.601	S	S	.	*	H	α-helix	trans	-63	-40.8	175.1	0	0	0	0	0	112.2	Q134 R140 K141 L142	Q134-A138 PolarHBondContact O-N 3.01Å; Q134-A138 VanDerWaalsContact O-N 3.12Å; A138-R140 PolarHBondContact O-N 3.4Å; A138-K141 PolarHBondContact O-N 2.87Å; A138-K141 VanDerWaalsContact O-N 3.13Å; A138-L142 WeakPolarHBondContact O-CD1 3.47Å; A138-L142 PolarHBondContact O-N 3.41Å
139	V	34.9	Very low	31.9	Very low	90 Å²	90	111 Å²	111	55%	0.545	58%	0.577	S	S	.	*	H	α-helix	trans	-63.3	-38.4	176	170.2	0	0	0	0	112.1	T135 K141 A143	T135-V139 WeakPolarHBondContact O-CG2 3.43Å; T135-V139 PolarHBondContact O-N 3.06Å; V139-K141 VanDerWaalsContact C-N 3.31Å; V139-A143 VanDerWaalsContact O-CB 3.27Å; V139-A143 WeakPolarHBondContact O-CB 3.39Å; V139-A143 PolarHBondContact O-N 2.83Å
140	R	32.1	Very low	32.7	Very low	199 Å²	199	106 Å²	106	75%	0.751	56%	0.56	S	S	*	*	H	α-helix	trans	-68.8	-30.2	173.9	-80.1	-176.4	175.6	165	-2.3	113	R136 A137 A138 N144	R136-R140 PolarHBondContact O-N 2.9Å; R136-R140 VanDerWaalsContact O-N 3.16Å; A137-R140 PolarHBondContact O-N 2.76Å; A138-R140 PolarHBondContact O-N 3.4Å; R140-N144 PolarHBondContact O-N 3.02Å
141	K	30.1	Very low	34.4	Very low	142 Å²	142	97.1 Å²	97.1	62%	0.617	53%	0.528	S	S	*	.	H	α-helix	trans	-73.1	-44.2	176.3	-154.6	-177.4	177.4	-165	0	111.1	A137 A138 V139 N144 E145	A137-K141 PolarHBondContact O-N 2.94Å; A137-K141 VanDerWaalsContact O-N 3.08Å; A138-K141 PolarHBondContact O-N 2.87Å; A138-K141 VanDerWaalsContact O-N 3.13Å; V139-K141 VanDerWaalsContact C-N 3.31Å; K141-N144 PolarHBondContact O-N 2.84Å; K141-E145 PolarHBondContact O-N 3.46Å
142	L	32.3	Very low	36	Very low	131 Å²	131	94 Å²	94	69%	0.686	51%	0.506	S	S	*	.	H	α-helix	trans	-67.2	-36	175.1	-97.5	89.3	0	0	0	113.5	A138 N144 E145	A138-L142 WeakPolarHBondContact O-CD1 3.47Å; A138-L142 PolarHBondContact O-N 3.41Å; L142-N144 PolarHBondContact O-N 2.78Å; L142-E145 PolarHBondContact O-N 2.65Å
143	A	31.5	Very low	38.1	Very low	79 Å²	79	91.5 Å²	91.5	65%	0.653	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-17.4	177.7	0	0	0	0	0	113.4	V139	V139-A143 VanDerWaalsContact O-CB 3.27Å; V139-A143 WeakPolarHBondContact O-CB 3.39Å; V139-A143 PolarHBondContact O-N 2.83Å
144	N	28.5	Very low	40.4	Very low	138 Å²	138	84.2 Å²	84.2	74%	0.738	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-8.4	179.6	-77	4.6	0	0	0	113.3	R140 K141 L142 S146	R140-N144 PolarHBondContact O-N 3.02Å; K141-N144 PolarHBondContact O-N 2.84Å; L142-N144 PolarHBondContact O-N 2.78Å; N144-S146 PolarHBondContact O-N 3.47Å
145	E	27	Very low	42.7	Very low	114 Å²	114	80 Å²	80	53%	0.533	45%	0.445	S	S	.	.			trans	-95.8	94	174.6	-75.5	173.1	-167.1	0	0	108.1	K141 L142 T147	K141-E145 PolarHBondContact O-N 3.46Å; L142-E145 PolarHBondContact O-N 2.65Å; E145-T147 PolarHBondContact O-N 3.04Å
146	S	27.9	Very low	44.9	Very low	95 Å²	95	78 Å²	78	66%	0.664	43%	0.431	S	S	*	.			trans	-69	61.3	168.9	43.7	0	0	0	0	110.6	N144	N144-S146 PolarHBondContact O-N 3.47Å
147	T	32.3	Very low	47.3	Very low	98 Å²	98	70.9 Å²	70.9	60%	0.601	42%	0.418	S	S	*	.			trans	-78.7	133.2	175.4	-38.1	0	0	0	0	108.4	E145	E145-T147 PolarHBondContact O-N 3.04Å
148	P	33	Very low	49.7	Very low	35 Å²	35	71 Å²	71	23%	0.227	41%	0.41	C	S	.	.			trans	-50.8	159	173.8	-24.1	31.9	0	0	0	111.7	A150 Y534 V541	P148-A150 VanDerWaalsContact C-N 3.31Å; P148-A150 PolarHBondContact O-N 2.72Å; P148-Y534 HydrophobicContact CB-CD1 4.35Å; P148-Y534 HydrophobicContact CB-CE1 3.95Å; P148-Y534 HydrophobicContact CG-CE1 4.39Å; P148-V541 HydrophobicContact CB-CG1 4.42Å
149	P	44.4	Very low	52.2	Low	35 Å²	35	68.8 Å²	68.8	23%	0.227	39%	0.391	C	S	.	.			trans	-54.9	97.8	169.5	-17.8	29.9	0	0	0	108.9	G151 V216	P149-G151 PolarHBondContact O-N 3.26Å; P149-V216 HydrophobicContact CG-CG2 4.26Å
150	A	45.1	Very low	54.5	Low	39 Å²	39	66 Å²	66	32%	0.322	38%	0.375	S	S	.	.			trans	-83.9	99.7	-171.7	0	0	0	0	0	107.9	P148 Q213 A234	P148-A150 VanDerWaalsContact C-N 3.31Å; P148-A150 PolarHBondContact O-N 2.72Å; A150-Q213 WeakPolarHBondContact O-CG 3.47Å; A150-A234 HydrophobicContact CB-CB 4.32Å
151	G	61.2	Low	57.2	Low	7 Å²	7	57.1 Å²	57.1	7%	0.072	34%	0.342	C	S	.	.			trans	165.5	62.1	174.1	0	0	0	0	0	115.7	P149 Q167	P149-G151 PolarHBondContact O-N 3.26Å; G151-Q167 PolarHBondContact O-NE2 2.95Å; G151-Q167 VanDerWaalsContact O-NE2 3.12Å
152	G	65.8	Low	59.9	Low	4 Å²	4	50.3 Å²	50.3	4%	0.041	31%	0.312	C	S	.	.			trans	-70.6	175.3	160.3	0	0	0	0	0	111.5	D538 S539	G152-D538 CarbonylContact C-O 3.44Å; G152-D538 WeakPolarHBondContact CA-O 3.36Å; G152-S539 VanDerWaalsContact C-CA 3.48Å; G152-S539 WeakPolarHBondContact CA-O 3.45Å; G152-S539 PolarHBondContact N-O 3.32Å
153	F	76.8	Confident	62.4	Low	7 Å²	7	44.4 Å²	44.4	3%	0.031	28%	0.282	C	S	.	.			trans	-103	137.1	174.4	-71.8	-51.9	0	0	0	111.1	N155 N163 L166 Q167 L170 L210 L241 D538 S539	F153-N155 PolarHBondContact O-N 3.34Å; F153-N163 HydrophobicContact CB-CB 4.01Å; F153-N163 VanDerWaalsContact CB-CG 3.43Å; F153-N163 WeakPolarHBondContact CB-OD1 3.5Å; F153-N163 HydrophobicContact CD2-CB 4.13Å; F153-N163 PolarHBondContact O-ND2 2.76Å; F153-L166 HydrophobicContact CD2-CB 4.15Å; F153-L166 HydrophobicContact CE2-CB 3.46Å; F153-L166 VanDerWaalsContact CE2-CB 3.46Å; F153-L166 HydrophobicContact CE2-CD1 4.45Å; F153-L166 HydrophobicContact CZ-CB 4.09Å; F153-Q167 HydrophobicContact CD2-CG 3.67Å; F153-Q167 HydrophobicContact CE2-CB 4.49Å; F153-Q167 HydrophobicContact CE2-CG 3.61Å; F153-Q167 VanDerWaalsContact CE2-NE2 3.26Å; F153-L170 HydrophobicContact CZ-CD1 3.98Å; F153-L210 HydrophobicContact CD1-CD2 4.37Å; F153-L210 HydrophobicContact CE1-CD1 3.88Å; F153-L210 HydrophobicContact CE1-CD2 3.46Å; F153-L210 VanDerWaalsContact CE1-CD2 3.46Å; F153-L210 HydrophobicContact CE1-CG 4.25Å; F153-L210 HydrophobicContact CZ-CD1 4.13Å; F153-L210 HydrophobicContact CZ-CD2 4.2Å; F153-L241 HydrophobicContact CB-CD1 3.8Å; F153-L241 HydrophobicContact CB-CD2 4.31Å; F153-L241 HydrophobicContact CD1-CD1 4.13Å; F153-L241 HydrophobicContact CD1-CD2 3.79Å; F153-L241 HydrophobicContact CD1-CG 4.36Å; F153-L241 HydrophobicContact CE1-CD2 4.18Å; F153-L241 HydrophobicContact CG-CD1 4.25Å; F153-L241 HydrophobicContact CG-CD2 3.98Å; F153-D538 PolarHBondContact N-O 2.77Å; F153-D538 VanDerWaalsContact N-O 3.07Å; F153-D538 CarbonylContact O-C 3.48Å; F153-S539 WeakPolarHBondContact O-CA 3.25Å; F153-S539 PolarHBondContact O-N 3.17Å; F153-S539 VanDerWaalsContact O-N 3.08Å
154	S	78.7	Confident	64.9	Low	26 Å²	26	43.7 Å²	43.7	18%	0.182	27%	0.272	C	S	.	.			trans	-50	137.3	166.2	-105.5	0	0	0	0	110.5	N163 D236 L241	S154-N163 PolarHBondContact O-ND2 2.91Å; S154-D236 WeakPolarHBondContact CA-OD1 3.31Å; S154-D236 WeakPolarHBondContact CB-OD1 3.46Å; S154-D236 VanDerWaalsContact CB-OD2 3.27Å; S154-D236 WeakPolarHBondContact CB-OD2 3.46Å; S154-D236 PolarHBondContact N-OD1 3.11Å; S154-D236 PolarHBondContact OG-OD1 2.88Å; S154-D236 VanDerWaalsContact OG-OD1 3.12Å; S154-D236 PolarHBondContact OG-OD2 2.98Å; S154-L241 VanDerWaalsContact O-CD1 3.29Å; S154-L241 WeakPolarHBondContact O-CD1 3.12Å
155	N	80	Confident	67.6	Low	49 Å²	49	38.1 Å²	38.1	26%	0.262	24%	0.242	S	C	.	.			trans	-88.8	113.9	168.7	-166.3	-0.4	0	0	0	109.5	F153 G157 T159 D538	F153-N155 PolarHBondContact O-N 3.34Å; N155-G157 PolarHBondContact ND2-O 3.29Å; N155-G157 PolarHBondContact O-N 3.18Å; N155-G157 VanDerWaalsContact OD1-C 3.25Å; N155-G157 PolarHBondContact OD1-N 3Å; N155-G157 PolarHBondContact OD1-O 2.97Å; N155-T159 WeakPolarHBondContact OD1-CA 3.49Å; N155-T159 PolarHBondContact OD1-N 3.31Å; N155-T159 PolarHBondContact OD1-OG1 2.97Å; N155-D538 HydrophobicContact CB-CB 4.09Å; N155-D538 WeakPolarHBondContact CB-OD2 3.46Å; N155-D538 PolarHBondContact ND2-OD2 3.07Å
156	L	82	Confident	70.4	Confident	39 Å²	39	32.8 Å²	32.8	20%	0.204	22%	0.217	C	C	.	.			trans	-79.2	32.4	176.1	-52.1	178.1	0	0	0	112.1	T159 M162 P238 L241 Q242	L156-T159 HydrophobicContact CB-CG2 3.88Å; L156-T159 PolarHBondContact N-OG1 2.88Å; L156-M162 HydrophobicContact CD1-CE 4.43Å; L156-P238 HydrophobicContact CD2-CB 3.55Å; L156-L241 HydrophobicContact CD1-CB 3.71Å; L156-L241 HydrophobicContact CG-CB 4.32Å; L156-Q242 HydrophobicContact CD1-CB 4.03Å
157	G	81.7	Confident	72.8	Confident	46 Å²	46	31 Å²	31	47%	0.474	20%	0.198	S	C	.	.	S	Bend	trans	111.9	-105.3	-174.2	0	0	0	0	0	112.6	N155	N155-G157 PolarHBondContact ND2-O 3.29Å; N155-G157 PolarHBondContact O-N 3.18Å; N155-G157 VanDerWaalsContact OD1-C 3.25Å; N155-G157 PolarHBondContact OD1-N 3Å; N155-G157 PolarHBondContact OD1-O 2.97Å
158	N	84.3	Confident	75.1	Confident	69 Å²	69	29 Å²	29	37%	0.369	19%	0.192	S	C	.	.	S	Bend	trans	-98.8	38.7	179.8	-68.9	-31.5	0	0	0	112.1	Y161 H258 E260	N158-Y161 WeakPolarHBondContact O-CD1 3.33Å; N158-Y161 WeakPolarHBondContact O-CE1 3.49Å; N158-H258 PolarHBondContact ND2-O 3.45Å; N158-E260 HydrophobicContact CB-CG 3.96Å
159	T	86.9	Confident	77.4	Confident	3 Å²	3	28 Å²	28	2%	0.018	18%	0.184	C	C	.	.			trans	-99.6	12.6	-168.5	57.9	0	0	0	0	115.1	N155 L156 Y161 M162 N163	N155-T159 WeakPolarHBondContact OD1-CA 3.49Å; N155-T159 PolarHBondContact OD1-N 3.31Å; N155-T159 PolarHBondContact OD1-OG1 2.97Å; L156-T159 HydrophobicContact CB-CG2 3.88Å; L156-T159 PolarHBondContact N-OG1 2.88Å; T159-Y161 PolarHBondContact O-N 3.48Å; T159-M162 HydrophobicContact CG2-CE 4.31Å; T159-M162 WeakPolarHBondContact O-CA 3.31Å; T159-M162 WeakPolarHBondContact O-CB 3.26Å; T159-M162 PolarHBondContact O-N 3.17Å; T159-N163 PolarHBondContact O-N 3.17Å
160	C	83.9	Confident	78.9	Confident	31 Å²	31	26.8 Å²	26.8	21%	0.209	18%	0.176	C	C	.	.	H	α-helix	trans	-57.6	-32.3	176.4	61.5	0	0	0	0	113	M162 N163 S164	C160-M162 VanDerWaalsContact C-N 3.28Å; C160-M162 PolarHBondContact O-N 3.25Å; C160-N163 PolarHBondContact O-N 2.91Å; C160-S164 WeakPolarHBondContact O-CB 3.36Å; C160-S164 PolarHBondContact O-N 3.27Å; C160-S164 PolarHBondContact O-OG 2.73Å
161	Y	88.4	Confident	80.2	Confident	12 Å²	12	26.1 Å²	26.1	5%	0.047	17%	0.173	C	C	.	.	H	α-helix	trans	-61	-35.9	173	73.1	-94.9	0	0	0	112.2	N158 T159 S164 I165 F255 H261 F266	N158-Y161 WeakPolarHBondContact O-CD1 3.33Å; N158-Y161 WeakPolarHBondContact O-CE1 3.49Å; T159-Y161 PolarHBondContact O-N 3.48Å; Y161-S164 PolarHBondContact O-OG 2.96Å; Y161-I165 VanDerWaalsContact O-CG1 3.23Å; Y161-I165 WeakPolarHBondContact O-CG1 3.41Å; Y161-F255 AromaticContact CE2-CD1 3.91Å; Y161-F255 HydrophobicContact CE2-CD1 3.91Å; Y161-F255 AromaticContact CE2-CE1 3.86Å; Y161-F255 HydrophobicContact CE2-CE1 3.86Å; Y161-H261 VanDerWaalsContact CB-O 3.25Å; Y161-H261 WeakPolarHBondContact CB-O 3.31Å; Y161-H261 HydrophobicContact CD1-CB 4.2Å; Y161-H261 HydrophobicContact CD2-CB 4.12Å; Y161-H261 HydrophobicContact CE1-CB 4Å; Y161-H261 AromaticContact CE1-CD2 3.92Å; Y161-H261 HydrophobicContact CE2-CB 3.96Å; Y161-H261 HydrophobicContact CG-CB 4.26Å; Y161-H261 AromaticContact CZ-CD2 3.84Å; Y161-F266 HydrophobicContact CD2-CB 3.96Å; Y161-F266 HydrophobicContact CD2-CD2 4.36Å; Y161-F266 HydrophobicContact CD2-CG 4.04Å; Y161-F266 HydrophobicContact CE2-CB 4.14Å; Y161-F266 AromaticContact CE2-CD2 3.8Å; Y161-F266 HydrophobicContact CE2-CD2 3.8Å; Y161-F266 HydrophobicContact CE2-CE2 4.41Å; Y161-F266 AromaticContact CE2-CG 3.95Å; Y161-F266 HydrophobicContact CE2-CG 3.95Å
162	M	86.4	Confident	81	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-77.4	-47.6	176.9	170	173.2	77.9	0	0	110	L156 T159 C160 S164 I165 L166 L241 I244 K245 F266	L156-M162 HydrophobicContact CD1-CE 4.43Å; T159-M162 HydrophobicContact CG2-CE 4.31Å; T159-M162 WeakPolarHBondContact O-CA 3.31Å; T159-M162 WeakPolarHBondContact O-CB 3.26Å; T159-M162 PolarHBondContact O-N 3.17Å; C160-M162 VanDerWaalsContact C-N 3.28Å; C160-M162 PolarHBondContact O-N 3.25Å; M162-S164 PolarHBondContact O-N 2.82Å; M162-I165 PolarHBondContact O-N 2.8Å; M162-L166 HydrophobicContact CG-CD1 3.58Å; M162-L166 HydrophobicContact CG-CG 4.06Å; M162-L166 WeakPolarHBondContact O-CB 3.47Å; M162-L166 WeakPolarHBondContact O-CG 3.46Å; M162-L166 PolarHBondContact O-N 3.46Å; M162-L166 HydrophobicContact SD-CD1 4.24Å; M162-L241 HydrophobicContact CE-CB 3.96Å; M162-L241 HydrophobicContact CE-CD2 4.25Å; M162-I244 HydrophobicContact SD-CG2 4.24Å; M162-K245 HydrophobicContact SD-CB 4.23Å; M162-F266 HydrophobicContact CB-CD1 4.4Å; M162-F266 HydrophobicContact CB-CE1 3.95Å; M162-F266 HydrophobicContact CB-CE2 4.37Å; M162-F266 HydrophobicContact CB-CZ 3.94Å; M162-F266 HydrophobicContact CG-CE1 3.66Å; M162-F266 HydrophobicContact CG-CE2 4.19Å; M162-F266 HydrophobicContact CG-CZ 3.44Å; M162-F266 VanDerWaalsContact CG-CZ 3.44Å; M162-F266 HydrophobicContact SD-CE2 4.26Å; M162-F266 HydrophobicContact SD-CZ 3.83Å
163	N	84.5	Confident	81.5	Confident	7 Å²	7	34.1 Å²	34.1	4%	0.037	21%	0.206	C	C	.	.	H	α-helix	trans	-59.4	-46.4	-177.2	-70.2	-6.5	0	0	0	111.5	F153 S154 T159 C160 I165 L166 Q167	F153-N163 HydrophobicContact CB-CB 4.01Å; F153-N163 VanDerWaalsContact CB-CG 3.43Å; F153-N163 WeakPolarHBondContact CB-OD1 3.5Å; F153-N163 HydrophobicContact CD2-CB 4.13Å; F153-N163 PolarHBondContact O-ND2 2.76Å; S154-N163 PolarHBondContact O-ND2 2.91Å; T159-N163 PolarHBondContact O-N 3.17Å; C160-N163 PolarHBondContact O-N 2.91Å; N163-I165 VanDerWaalsContact C-N 3.35Å; N163-I165 PolarHBondContact O-N 3Å; N163-L166 PolarHBondContact O-N 3.32Å; N163-Q167 WeakPolarHBondContact O-CB 3.26Å; N163-Q167 WeakPolarHBondContact O-CG 3.35Å; N163-Q167 PolarHBondContact O-N 2.95Å
164	S	83.8	Confident	81.6	Confident	64 Å²	64	37.2 Å²	37.2	45%	0.448	23%	0.227	S	C	.	.	H	α-helix	trans	-60.1	-41.9	177.3	55.4	0	0	0	0	112.7	C160 Y161 M162 A168	C160-S164 WeakPolarHBondContact O-CB 3.36Å; C160-S164 PolarHBondContact O-N 3.27Å; C160-S164 PolarHBondContact O-OG 2.73Å; Y161-S164 PolarHBondContact O-OG 2.96Å; M162-S164 PolarHBondContact O-N 2.82Å; S164-A168 VanDerWaalsContact O-CB 3.32Å; S164-A168 WeakPolarHBondContact O-CB 3.33Å; S164-A168 PolarHBondContact O-N 3.4Å
165	I	86.7	Confident	81.7	Confident	20 Å²	20	36 Å²	36	10%	0.103	22%	0.219	C	C	.	.	H	α-helix	trans	-67.8	-45.4	176.3	-69.3	-56.7	0	0	0	111.8	Y161 M162 N163 Q167 A168 V169 A263 F266 L267 L270	Y161-I165 VanDerWaalsContact O-CG1 3.23Å; Y161-I165 WeakPolarHBondContact O-CG1 3.41Å; M162-I165 PolarHBondContact O-N 2.8Å; N163-I165 VanDerWaalsContact C-N 3.35Å; N163-I165 PolarHBondContact O-N 3Å; I165-Q167 VanDerWaalsContact C-N 3.33Å; I165-Q167 PolarHBondContact O-N 3.39Å; I165-A168 PolarHBondContact O-N 2.86Å; I165-V169 HydrophobicContact CG2-CG2 4.16Å; I165-V169 WeakPolarHBondContact O-CB 3.26Å; I165-V169 VanDerWaalsContact O-CG2 3.31Å; I165-V169 WeakPolarHBondContact O-CG2 3.44Å; I165-V169 PolarHBondContact O-N 2.64Å; I165-A263 HydrophobicContact CD1-CB 4.06Å; I165-A263 WeakPolarHBondContact CD1-O 3.44Å; I165-A263 HydrophobicContact CG1-CB 3.87Å; I165-A263 WeakPolarHBondContact CG1-O 3.31Å; I165-F266 HydrophobicContact CB-CD1 3.98Å; I165-F266 HydrophobicContact CB-CE1 4.32Å; I165-F266 HydrophobicContact CG1-CD1 4.27Å; I165-F266 HydrophobicContact CG2-CD1 3.84Å; I165-F266 HydrophobicContact CG2-CE1 4.08Å; I165-L267 HydrophobicContact CD1-CB 3.88Å; I165-L267 HydrophobicContact CD1-CD2 4.28Å; I165-L267 HydrophobicContact CG1-CB 4.25Å; I165-L267 HydrophobicContact CG2-CB 3.87Å; I165-L267 HydrophobicContact CG2-CD1 3.76Å; I165-L267 HydrophobicContact CG2-CG 4.4Å; I165-L270 HydrophobicContact CG2-CD2 4.26Å
166	L	84	Confident	81.4	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-61.9	-43.7	178.5	-70.9	175.9	0	0	0	110.8	F153 M162 N163 L170 W207 L241 I244 L270	F153-L166 HydrophobicContact CD2-CB 4.15Å; F153-L166 HydrophobicContact CE2-CB 3.46Å; F153-L166 VanDerWaalsContact CE2-CB 3.46Å; F153-L166 HydrophobicContact CE2-CD1 4.45Å; F153-L166 HydrophobicContact CZ-CB 4.09Å; M162-L166 HydrophobicContact CG-CD1 3.58Å; M162-L166 HydrophobicContact CG-CG 4.06Å; M162-L166 WeakPolarHBondContact O-CB 3.47Å; M162-L166 WeakPolarHBondContact O-CG 3.46Å; M162-L166 PolarHBondContact O-N 3.46Å; M162-L166 HydrophobicContact SD-CD1 4.24Å; N163-L166 PolarHBondContact O-N 3.32Å; L166-L170 WeakPolarHBondContact O-CB 3.26Å; L166-L170 VanDerWaalsContact O-CG 3.29Å; L166-L170 WeakPolarHBondContact O-CG 3.14Å; L166-L170 PolarHBondContact O-N 2.91Å; L166-W207 HydrophobicContact CD2-CH2 4.47Å; L166-L241 HydrophobicContact CD1-CD2 3.64Å; L166-I244 HydrophobicContact CD1-CD1 4.17Å; L166-I244 HydrophobicContact CD2-CD1 4.35Å; L166-L270 HydrophobicContact CD2-CD2 3.86Å
167	Q	78.5	Confident	81.1	Confident	59 Å²	59	35.8 Å²	35.8	28%	0.276	22%	0.216	S	C	.	.	H	α-helix	trans	-61.1	-45.4	175.3	-70.6	-68.9	-12.6	0	0	111.1	G151 F153 N163 I165 G171	G151-Q167 PolarHBondContact O-NE2 2.95Å; G151-Q167 VanDerWaalsContact O-NE2 3.12Å; F153-Q167 HydrophobicContact CD2-CG 3.67Å; F153-Q167 HydrophobicContact CE2-CB 4.49Å; F153-Q167 HydrophobicContact CE2-CG 3.61Å; F153-Q167 VanDerWaalsContact CE2-NE2 3.26Å; N163-Q167 WeakPolarHBondContact O-CB 3.26Å; N163-Q167 WeakPolarHBondContact O-CG 3.35Å; N163-Q167 PolarHBondContact O-N 2.95Å; I165-Q167 VanDerWaalsContact C-N 3.33Å; I165-Q167 PolarHBondContact O-N 3.39Å; Q167-G171 PolarHBondContact O-N 2.94Å
168	A	81.9	Confident	80.8	Confident	56 Å²	56	34.6 Å²	34.6	46%	0.463	20%	0.198	S	C	.	.	H	α-helix	trans	-64.8	-45.5	-180	0	0	0	0	0	113	S164 I165 Q172	S164-A168 VanDerWaalsContact O-CB 3.32Å; S164-A168 WeakPolarHBondContact O-CB 3.33Å; S164-A168 PolarHBondContact O-N 3.4Å; I165-A168 PolarHBondContact O-N 2.86Å; A168-Q172 WeakPolarHBondContact O-CG 2.9Å; A168-Q172 PolarHBondContact O-NE2 3.49Å; A168-Q172 VanDerWaalsContact O-NE2 3.17Å
169	V	80.3	Confident	80.4	Confident	12 Å²	12	31.3 Å²	31.3	7%	0.073	18%	0.181	C	C	.	.	H	α-helix	trans	-70.6	-42.7	-179.8	171.6	0	0	0	0	110.6	I165 Q172 F175 L267 L271	I165-V169 HydrophobicContact CG2-CG2 4.16Å; I165-V169 WeakPolarHBondContact O-CB 3.26Å; I165-V169 VanDerWaalsContact O-CG2 3.31Å; I165-V169 WeakPolarHBondContact O-CG2 3.44Å; I165-V169 PolarHBondContact O-N 2.64Å; V169-Q172 VanDerWaalsContact O-CB 3.32Å; V169-Q172 WeakPolarHBondContact O-CB 3.02Å; V169-Q172 PolarHBondContact O-N 2.84Å; V169-F175 HydrophobicContact CG1-CD1 3.7Å; V169-F175 HydrophobicContact CG1-CE1 3.29Å; V169-F175 HydrophobicContact CG1-CZ 4.09Å; V169-L267 HydrophobicContact CG2-CD1 3.39Å; V169-L271 HydrophobicContact CG1-CD2 4.47Å
170	L	76.5	Confident	79.5	Confident	10 Å²	10	35.8 Å²	35.8	5%	0.052	20%	0.197	C	C	.	.	H	α-helix	trans	-75.9	-25.5	-179.4	-72.9	170.4	0	0	0	114.6	F153 L166 Q172 S176 W207 L210 I214	F153-L170 HydrophobicContact CZ-CD1 3.98Å; L166-L170 WeakPolarHBondContact O-CB 3.26Å; L166-L170 VanDerWaalsContact O-CG 3.29Å; L166-L170 WeakPolarHBondContact O-CG 3.14Å; L166-L170 PolarHBondContact O-N 2.91Å; L170-Q172 PolarHBondContact O-N 3.26Å; L170-S176 WeakPolarHBondContact CA-OG 3.35Å; L170-S176 PolarHBondContact O-OG 3.16Å; L170-W207 HydrophobicContact CD1-CE3 3.72Å; L170-W207 HydrophobicContact CD1-CZ3 3.51Å; L170-W207 HydrophobicContact CD2-CD2 4.41Å; L170-W207 HydrophobicContact CD2-CE3 3.16Å; L170-W207 HydrophobicContact CD2-CZ3 3.22Å; L170-W207 HydrophobicContact CG-CE3 3.9Å; L170-W207 HydrophobicContact CG-CZ3 3.58Å; L170-L210 HydrophobicContact CD1-CB 4.42Å; L170-L210 HydrophobicContact CD1-CD1 3.99Å; L170-I214 HydrophobicContact CB-CD1 3.77Å
171	G	72	Confident	78.8	Confident	26 Å²	26	40.4 Å²	40.4	27%	0.268	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.5	168.7	0	0	0	0	0	113.1	Q167 K173	Q167-G171 PolarHBondContact O-N 2.94Å; G171-K173 PolarHBondContact O-N 3.39Å
172	Q	79	Confident	77.8	Confident	97 Å²	97	39.9 Å²	39.9	45%	0.453	21%	0.209	S	C	.	.			trans	-74.2	87.3	174.3	-54.7	-47.6	-50.6	0	0	110.8	A168 V169 L170 P174 F175 S176 F298	A168-Q172 WeakPolarHBondContact O-CG 2.9Å; A168-Q172 PolarHBondContact O-NE2 3.49Å; A168-Q172 VanDerWaalsContact O-NE2 3.17Å; V169-Q172 VanDerWaalsContact O-CB 3.32Å; V169-Q172 WeakPolarHBondContact O-CB 3.02Å; V169-Q172 PolarHBondContact O-N 2.84Å; L170-Q172 PolarHBondContact O-N 3.26Å; Q172-P174 VanDerWaalsContact C-CD 3.42Å; Q172-F175 HydrophobicContact CB-CB 3.95Å; Q172-F175 WeakPolarHBondContact O-CA 3.45Å; Q172-F175 WeakPolarHBondContact O-CB 3.21Å; Q172-F175 PolarHBondContact O-N 3.07Å; Q172-S176 PolarHBondContact O-N 3.12Å; Q172-S176 PolarHBondContact O-OG 3.18Å; Q172-F298 HydrophobicContact CB-CZ 4.48Å; Q172-F298 HydrophobicContact CG-CE1 4.33Å; Q172-F298 HydrophobicContact CG-CZ 4.26Å
173	K	74.9	Confident	76.8	Confident	82 Å²	82	40.2 Å²	40.2	36%	0.357	21%	0.211	S	C	.	.	H	α-helix	trans	-48.7	-45.3	-177.6	-55.6	-177.2	-173.6	-177.2	0	114.7	G171 F175 S176 Q177 Q215	G171-K173 PolarHBondContact O-N 3.39Å; K173-F175 VanDerWaalsContact C-N 3.3Å; K173-F175 PolarHBondContact O-N 3.21Å; K173-S176 PolarHBondContact O-N 3.02Å; K173-Q177 WeakPolarHBondContact O-CB 3.17Å; K173-Q177 WeakPolarHBondContact O-CG 3.29Å; K173-Q177 PolarHBondContact O-N 2.79Å; K173-Q215 VanDerWaalsContact CE-NE2 3.34Å
174	P	80.2	Confident	75.6	Confident	71 Å²	71	43.2 Å²	43.2	46%	0.461	23%	0.229	S	C	.	.	H	α-helix	trans	-60.6	-42	179.3	-23.2	35.8	0	0	0	112	Q172 E178 N297	Q172-P174 VanDerWaalsContact C-CD 3.42Å; P174-E178 WeakPolarHBondContact O-CB 3.25Å; P174-E178 WeakPolarHBondContact O-CG 3.12Å; P174-E178 PolarHBondContact O-N 3.38Å; P174-N297 WeakPolarHBondContact CB-OD1 3.46Å
175	F	80.8	Confident	74.5	Confident	1 Å²	1	47.2 Å²	47.2	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-65	-52.6	176.4	172.5	-104.3	0	0	0	111.3	V169 Q172 K173 Q177 E178 L179 L271 L274 P293 V294 N297 F298	V169-F175 HydrophobicContact CG1-CD1 3.7Å; V169-F175 HydrophobicContact CG1-CE1 3.29Å; V169-F175 HydrophobicContact CG1-CZ 4.09Å; Q172-F175 HydrophobicContact CB-CB 3.95Å; Q172-F175 WeakPolarHBondContact O-CA 3.45Å; Q172-F175 WeakPolarHBondContact O-CB 3.21Å; Q172-F175 PolarHBondContact O-N 3.07Å; K173-F175 VanDerWaalsContact C-N 3.3Å; K173-F175 PolarHBondContact O-N 3.21Å; F175-Q177 VanDerWaalsContact C-N 3.34Å; F175-Q177 PolarHBondContact O-N 3.11Å; F175-E178 PolarHBondContact O-N 2.91Å; F175-E178 VanDerWaalsContact O-N 3.08Å; F175-L179 HydrophobicContact CE1-CD2 4.05Å; F175-L179 HydrophobicContact CZ-CD2 4.07Å; F175-L179 WeakPolarHBondContact O-CB 3.33Å; F175-L179 PolarHBondContact O-N 3.49Å; F175-L271 HydrophobicContact CZ-CD2 4.46Å; F175-L274 HydrophobicContact CZ-CD1 4.23Å; F175-P293 HydrophobicContact CD2-CB 4.16Å; F175-P293 HydrophobicContact CE2-CB 4.12Å; F175-P293 HydrophobicContact CE2-CG 4.49Å; F175-V294 HydrophobicContact CE2-CG2 3.85Å; F175-V294 HydrophobicContact CZ-CG2 4.31Å; F175-N297 HydrophobicContact CB-CB 4.05Å; F175-N297 HydrophobicContact CD2-CB 4.15Å; F175-N297 PolarHBondContact N-OD1 3.46Å; F175-F298 HydrophobicContact CB-CE2 4.14Å; F175-F298 HydrophobicContact CB-CZ 3.99Å; F175-F298 HydrophobicContact CD1-CE2 4.01Å; F175-F298 HydrophobicContact CD1-CZ 4.2Å; F175-F298 HydrophobicContact CD2-CD2 4.06Å; F175-F298 AromaticContact CD2-CE2 3.33Å; F175-F298 HydrophobicContact CD2-CE2 3.33Å; F175-F298 HydrophobicContact CD2-CZ 4.06Å; F175-F298 HydrophobicContact CE1-CE2 4.27Å; F175-F298 HydrophobicContact CE2-CD2 4.21Å; F175-F298 AromaticContact CE2-CE2 3.62Å; F175-F298 HydrophobicContact CE2-CE2 3.62Å; F175-F298 AromaticContact CG-CE2 3.53Å; F175-F298 HydrophobicContact CG-CE2 3.53Å; F175-F298 AromaticContact CG-CZ 3.8Å; F175-F298 HydrophobicContact CG-CZ 3.8Å; F175-F298 HydrophobicContact CZ-CE2 4.07Å
176	S	73.1	Confident	73.1	Confident	11 Å²	11	46.8 Å²	46.8	8%	0.077	24%	0.236	C	C	.	.	H	α-helix	trans	-60.6	-41.6	-177.1	-55.4	0	0	0	0	112.5	L170 Q172 K173 E178 W180	L170-S176 WeakPolarHBondContact CA-OG 3.35Å; L170-S176 PolarHBondContact O-OG 3.16Å; Q172-S176 PolarHBondContact O-N 3.12Å; Q172-S176 PolarHBondContact O-OG 3.18Å; K173-S176 PolarHBondContact O-N 3.02Å; S176-E178 VanDerWaalsContact C-N 3.33Å; S176-E178 PolarHBondContact O-N 2.73Å; S176-W180 WeakPolarHBondContact O-CB 3.28Å; S176-W180 PolarHBondContact O-N 2.87Å
177	Q	75.3	Confident	71.7	Confident	73 Å²	73	53 Å²	53	34%	0.341	26%	0.26	S	S	.	.	H	α-helix	trans	-64.7	-36.7	176	-72.3	175.8	4.7	0	0	112.6	K173 F175 R181 F211	K173-Q177 WeakPolarHBondContact O-CB 3.17Å; K173-Q177 WeakPolarHBondContact O-CG 3.29Å; K173-Q177 PolarHBondContact O-N 2.79Å; F175-Q177 VanDerWaalsContact C-N 3.34Å; F175-Q177 PolarHBondContact O-N 3.11Å; Q177-R181 VanDerWaalsContact O-CG 3.22Å; Q177-R181 WeakPolarHBondContact O-CG 3.42Å; Q177-R181 PolarHBondContact O-N 2.78Å; Q177-R181 VanDerWaalsContact O-N 3.08Å; Q177-F211 HydrophobicContact CG-CE2 4.06Å; Q177-F211 HydrophobicContact CG-CZ 4.23Å
178	E	75	Confident	70.5	Confident	20 Å²	20	57.9 Å²	57.9	9%	0.093	29%	0.287	C	S	.	.	H	α-helix	trans	-76.3	-39.5	179.6	-72.5	177.4	-177.7	0	0	112.2	P174 F175 S176 R181 A182 P293 R296 N297	P174-E178 WeakPolarHBondContact O-CB 3.25Å; P174-E178 WeakPolarHBondContact O-CG 3.12Å; P174-E178 PolarHBondContact O-N 3.38Å; F175-E178 PolarHBondContact O-N 2.91Å; F175-E178 VanDerWaalsContact O-N 3.08Å; S176-E178 VanDerWaalsContact C-N 3.33Å; S176-E178 PolarHBondContact O-N 2.73Å; E178-R181 PolarHBondContact O-N 2.69Å; E178-A182 WeakPolarHBondContact O-CB 3.35Å; E178-A182 PolarHBondContact O-N 3.36Å; E178-P293 HydrophobicContact CB-CB 3.84Å; E178-R296 IonicContact OE1-CZ 2.79Å; E178-R296 IonicContact OE1-NE 2.69Å; E178-R296 IonicContact OE1-NH1 3.81Å; E178-R296 PolarHBondContact OE1-NH1 3.14Å; E178-R296 IonicContact OE1-NH2 2.93Å; E178-R296 PolarHBondContact OE1-NH2 2.99Å; E178-R296 WeakPolarHBondContact OE2-CD 3.42Å; E178-R296 IonicContact OE2-CZ 3.47Å; E178-R296 IonicContact OE2-NE 3.96Å; E178-R296 IonicContact OE2-NH1 2.67Å; E178-R296 PolarHBondContact OE2-NH1 3.48Å; E178-N297 PolarHBondContact OE2-ND2 3.17Å
179	L	75.6	Confident	69.3	Low	1 Å²	1	58.2 Å²	58.2	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-58.7	-49.5	171.3	-176.3	63.5	0	0	0	110.5	F175 R181 A182 V183 W207 L274 P293	F175-L179 HydrophobicContact CE1-CD2 4.05Å; F175-L179 HydrophobicContact CZ-CD2 4.07Å; F175-L179 WeakPolarHBondContact O-CB 3.33Å; F175-L179 PolarHBondContact O-N 3.49Å; L179-R181 PolarHBondContact O-N 3.19Å; L179-A182 WeakPolarHBondContact O-CA 3.48Å; L179-A182 VanDerWaalsContact O-CB 3.29Å; L179-A182 WeakPolarHBondContact O-CB 3.38Å; L179-A182 PolarHBondContact O-N 2.95Å; L179-V183 VanDerWaalsContact O-CG2 3.32Å; L179-V183 WeakPolarHBondContact O-CG2 3.35Å; L179-V183 PolarHBondContact O-N 3.34Å; L179-W207 HydrophobicContact CD2-CD2 4.47Å; L179-L274 HydrophobicContact CD1-CD2 4.49Å; L179-P293 HydrophobicContact CB-CG 4.41Å; L179-P293 HydrophobicContact CD1-CG 4.08Å
180	W	69.9	Low	68	Low	97 Å²	97	57.9 Å²	57.9	37%	0.367	28%	0.284	S	S	.	.	H	α-helix	trans	-55.7	-48.2	174.9	164.4	-109.8	0	0	0	112.4	S176 A182 V183 V184 G204 A208	S176-W180 WeakPolarHBondContact O-CB 3.28Å; S176-W180 PolarHBondContact O-N 2.87Å; W180-A182 PolarHBondContact O-N 3.08Å; W180-V183 PolarHBondContact O-N 3.04Å; W180-V184 HydrophobicContact CD2-CG2 3.51Å; W180-V184 VanDerWaalsContact CE2-CG2 3.48Å; W180-V184 HydrophobicContact CE3-CG2 3.41Å; W180-V184 VanDerWaalsContact CE3-CG2 3.41Å; W180-V184 HydrophobicContact CG-CG2 4.35Å; W180-V184 HydrophobicContact CH2-CG2 3.43Å; W180-V184 VanDerWaalsContact CH2-CG2 3.43Å; W180-V184 HydrophobicContact CZ2-CG2 3.52Å; W180-V184 HydrophobicContact CZ3-CG2 3.28Å; W180-V184 WeakPolarHBondContact O-CG2 3.33Å; W180-V184 PolarHBondContact O-N 3.43Å; W180-G204 VanDerWaalsContact CZ3-CA 3.41Å; W180-G204 WeakPolarHBondContact CZ3-O 3.35Å; W180-A208 HydrophobicContact CE3-CB 4.18Å; W180-A208 HydrophobicContact CH2-CB 4.15Å; W180-A208 HydrophobicContact CZ2-CB 4.46Å; W180-A208 HydrophobicContact CZ3-CB 4.06Å
181	R	68.7	Low	66.8	Low	128 Å²	128	60.1 Å²	60.1	48%	0.483	30%	0.299	S	S	.	.	H	α-helix	trans	-60.6	-34.2	176	-73.6	170.1	-173	142.6	4	112	Q177 E178 L179 K185	Q177-R181 VanDerWaalsContact O-CG 3.22Å; Q177-R181 WeakPolarHBondContact O-CG 3.42Å; Q177-R181 PolarHBondContact O-N 2.78Å; Q177-R181 VanDerWaalsContact O-N 3.08Å; E178-R181 PolarHBondContact O-N 2.69Å; L179-R181 PolarHBondContact O-N 3.19Å; R181-K185 WeakPolarHBondContact O-CB 3.3Å; R181-K185 VanDerWaalsContact O-CG 3.26Å; R181-K185 WeakPolarHBondContact O-CG 3.38Å; R181-K185 PolarHBondContact O-N 2.82Å
182	A	67.6	Low	65.6	Low	1 Å²	1	64.1 Å²	64.1	1%	0.008	31%	0.314	C	S	.	.	H	α-helix	trans	-65.9	-45.1	176.5	0	0	0	0	0	111.9	E178 L179 W180 N186 I290	E178-A182 WeakPolarHBondContact O-CB 3.35Å; E178-A182 PolarHBondContact O-N 3.36Å; L179-A182 WeakPolarHBondContact O-CA 3.48Å; L179-A182 VanDerWaalsContact O-CB 3.29Å; L179-A182 WeakPolarHBondContact O-CB 3.38Å; L179-A182 PolarHBondContact O-N 2.95Å; W180-A182 PolarHBondContact O-N 3.08Å; A182-N186 WeakPolarHBondContact O-CB 3.47Å; A182-N186 PolarHBondContact O-N 2.97Å; A182-N186 PolarHBondContact O-ND2 3.38Å; A182-I290 HydrophobicContact CB-CD1 4.32Å; A182-I290 HydrophobicContact CB-CG2 3.73Å; A182-I290 WeakPolarHBondContact O-CD1 3.46Å
183	V	64.7	Low	64.2	Low	7 Å²	7	65.8 Å²	65.8	4%	0.042	33%	0.326	C	S	.	.	H	α-helix	trans	-67.8	-52.8	-179.8	178.3	0	0	0	0	111.3	L179 W180 K185 N186 R187 I190 L196	L179-V183 VanDerWaalsContact O-CG2 3.32Å; L179-V183 WeakPolarHBondContact O-CG2 3.35Å; L179-V183 PolarHBondContact O-N 3.34Å; W180-V183 PolarHBondContact O-N 3.04Å; V183-K185 PolarHBondContact O-N 2.96Å; V183-N186 CarbonylContact O-C 3.5Å; V183-N186 PolarHBondContact O-N 2.87Å; V183-N186 VanDerWaalsContact O-N 3.12Å; V183-R187 PolarHBondContact O-N 3.4Å; V183-I190 HydrophobicContact CG1-CD1 4Å; V183-L196 HydrophobicContact CG1-CB 4.39Å; V183-L196 HydrophobicContact CG2-CB 4.3Å; V183-L196 HydrophobicContact CG2-CD1 3.86Å; V183-L196 HydrophobicContact CG2-CD2 3.57Å; V183-L196 HydrophobicContact CG2-CG 4.08Å
184	V	59.8	Low	63.2	Low	69 Å²	69	62.5 Å²	62.5	42%	0.418	31%	0.314	S	S	.	.	H	α-helix	trans	-62.1	-43.2	-174.8	172.6	0	0	0	0	112	W180 N186 R187	W180-V184 HydrophobicContact CD2-CG2 3.51Å; W180-V184 VanDerWaalsContact CE2-CG2 3.48Å; W180-V184 HydrophobicContact CE3-CG2 3.41Å; W180-V184 VanDerWaalsContact CE3-CG2 3.41Å; W180-V184 HydrophobicContact CG-CG2 4.35Å; W180-V184 HydrophobicContact CH2-CG2 3.43Å; W180-V184 VanDerWaalsContact CH2-CG2 3.43Å; W180-V184 HydrophobicContact CZ2-CG2 3.52Å; W180-V184 HydrophobicContact CZ3-CG2 3.28Å; W180-V184 WeakPolarHBondContact O-CG2 3.33Å; W180-V184 PolarHBondContact O-N 3.43Å; V184-N186 PolarHBondContact O-N 3.24Å; V184-R187 PolarHBondContact O-N 2.79Å
185	K	60.3	Low	61.8	Low	148 Å²	148	59.9 Å²	59.9	64%	0.643	30%	0.296	S	S	*	.	H	α-helix	trans	-64.3	-29.2	178.9	-76	-179.4	176.4	-175.1	0	112.7	R181 V183 I290	R181-K185 WeakPolarHBondContact O-CB 3.3Å; R181-K185 VanDerWaalsContact O-CG 3.26Å; R181-K185 WeakPolarHBondContact O-CG 3.38Å; R181-K185 PolarHBondContact O-N 2.82Å; V183-K185 PolarHBondContact O-N 2.96Å; K185-I290 HydrophobicContact CB-CD1 3.71Å; K185-I290 HydrophobicContact CD-CD1 4.1Å; K185-I290 HydrophobicContact CD-CG1 4.47Å
186	N	57.2	Low	60.5	Low	11 Å²	11	60.1 Å²	60.1	6%	0.059	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	9.9	-176.5	-71.9	-25.3	0	0	0	113.6	A182 V183 V184 N188 S189 I190 L281 I290	A182-N186 WeakPolarHBondContact O-CB 3.47Å; A182-N186 PolarHBondContact O-N 2.97Å; A182-N186 PolarHBondContact O-ND2 3.38Å; V183-N186 CarbonylContact O-C 3.5Å; V183-N186 PolarHBondContact O-N 2.87Å; V183-N186 VanDerWaalsContact O-N 3.12Å; V184-N186 PolarHBondContact O-N 3.24Å; N186-N188 PolarHBondContact O-N 3.32Å; N186-S189 WeakPolarHBondContact O-CA 3.34Å; N186-S189 PolarHBondContact O-N 3.29Å; N186-I190 VanDerWaalsContact O-CG1 3.23Å; N186-I190 WeakPolarHBondContact O-CG1 3.41Å; N186-I190 PolarHBondContact O-N 3.32Å; N186-L281 HydrophobicContact CB-CD1 4.27Å; N186-I290 WeakPolarHBondContact ND2-CD1 3.4Å
187	R	54	Low	59.3	Low	134 Å²	134	64 Å²	64	51%	0.506	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.6	-38.5	-174	-175.1	174.1	175.4	160.2	0.8	114.1	V183 V184 E202	V183-R187 PolarHBondContact O-N 3.4Å; V184-R187 PolarHBondContact O-N 2.79Å; R187-E202 IonicContact CZ-OE1 3.63Å; R187-E202 IonicContact CZ-OE2 3.09Å; R187-E202 VanDerWaalsContact CZ-OE2 3.22Å; R187-E202 IonicContact NH1-OE1 2.95Å; R187-E202 IonicContact NH1-OE2 3.22Å; R187-E202 PolarHBondContact NH1-OE2 3.38Å; R187-E202 IonicContact NH2-OE1 2.74Å; R187-E202 PolarHBondContact NH2-OE1 3.27Å; R187-E202 IonicContact NH2-OE2 3.63Å; R187-E202 PolarHBondContact NH2-OE2 2.88Å; R187-E202 VanDerWaalsContact NH2-OE2 3.09Å
188	N	55	Low	57.8	Low	160 Å²	160	62.9 Å²	62.9	86%	0.856	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-12.5	-178.6	-62.3	-21.3	0	0	0	114.6	N186	N186-N188 PolarHBondContact O-N 3.32Å
189	S	55.1	Low	56	Low	64 Å²	64	69.8 Å²	69.8	45%	0.448	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	0.2	-177.3	-60.3	0	0	0	0	113.2	N186 P191 L281	N186-S189 WeakPolarHBondContact O-CA 3.34Å; N186-S189 PolarHBondContact O-N 3.29Å; S189-P191 WeakPolarHBondContact O-CD 3.38Å; S189-L281 WeakPolarHBondContact O-CD2 3.13Å
190	I	54.4	Low	54.3	Low	5 Å²	5	74.5 Å²	74.5	3%	0.026	37%	0.372	C	S	.	.			trans	-74.9	120.5	-179.3	-50.5	-174.4	0	0	0	110.2	V183 N186 S194 L196 R197 L281	V183-I190 HydrophobicContact CG1-CD1 4Å; N186-I190 VanDerWaalsContact O-CG1 3.23Å; N186-I190 WeakPolarHBondContact O-CG1 3.41Å; N186-I190 PolarHBondContact O-N 3.32Å; I190-S194 WeakPolarHBondContact CG2-OG 3.45Å; I190-L196 HydrophobicContact CD1-CB 3.87Å; I190-L196 HydrophobicContact CG2-CB 4.08Å; I190-R197 HydrophobicContact CB-CB 4.17Å; I190-R197 HydrophobicContact CG2-CB 3.63Å; I190-R197 WeakPolarHBondContact O-CD 3.2Å; I190-R197 PolarHBondContact O-NH1 3.25Å; I190-L281 HydrophobicContact CB-CD2 4.48Å; I190-L281 HydrophobicContact CG1-CD2 4.25Å
191	P	49.9	Very low	52.8	Low	57 Å²	57	70.4 Å²	70.4	37%	0.37	36%	0.357	S	S	.	.			trans	-57.3	146.3	174.9	-22.4	32.8	0	0	0	111.8	S189 N193 S194	S189-P191 WeakPolarHBondContact O-CD 3.38Å; P191-N193 PolarHBondContact O-N 3.29Å; P191-S194 WeakPolarHBondContact O-CB 3.36Å; P191-S194 PolarHBondContact O-N 3.38Å
192	N	46.5	Very low	51.3	Low	109 Å²	109	68 Å²	68	58%	0.583	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-20.5	-177.2	-64.4	-1	0	0	0	114.4	R197	N192-R197 PolarHBondContact OD1-NH1 3.17Å
193	N	51.1	Low	50	Low	132 Å²	132	68.2 Å²	68.2	71%	0.706	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	8	-177.3	-61.1	2.6	0	0	0	113.3	P191 K247	P191-N193 PolarHBondContact O-N 3.29Å; N193-K247 WeakPolarHBondContact O-CD 3.5Å; N193-K247 WeakPolarHBondContact O-CE 3.46Å; N193-K247 PolarHBondContact O-NZ 3.36Å
194	S	52.7	Low	48.8	Very low	14 Å²	14	68.3 Å²	68.3	10%	0.098	36%	0.355	C	S	.	.	S	Bend	trans	-76.4	147.9	-179	166.6	0	0	0	0	111	I190 P191 L196 R197 E277	I190-S194 WeakPolarHBondContact CG2-OG 3.45Å; P191-S194 WeakPolarHBondContact O-CB 3.36Å; P191-S194 PolarHBondContact O-N 3.38Å; S194-L196 PolarHBondContact O-N 2.71Å; S194-L196 WeakPolarHBondContact OG-CB 3.19Å; S194-L196 PolarHBondContact OG-N 3.39Å; S194-L196 VanDerWaalsContact OG-N 3.12Å; S194-R197 PolarHBondContact O-N 3.47Å; S194-E277 PolarHBondContact OG-OE2 2.94Å
195	L	52.1	Low	47.8	Very low	15 Å²	15	69.8 Å²	69.8	8%	0.079	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-26.4	169.1	-85.7	163.4	0	0	0	113	V203 I244 K247 L274 E277	L195-V203 WeakPolarHBondContact O-CG1 3.17Å; L195-I244 HydrophobicContact CD2-CB 4.41Å; L195-I244 HydrophobicContact CD2-CG1 4.25Å; L195-K247 HydrophobicContact CD1-CB 4.25Å; L195-K247 HydrophobicContact CD1-CG 3.9Å; L195-K247 HydrophobicContact CD2-CB 3.31Å; L195-K247 HydrophobicContact CD2-CD 4.36Å; L195-K247 HydrophobicContact CD2-CG 3.79Å; L195-K247 HydrophobicContact CG-CB 3.64Å; L195-K247 HydrophobicContact CG-CD 3.86Å; L195-K247 HydrophobicContact CG-CG 3.46Å; L195-K247 VanDerWaalsContact CG-CG 3.46Å; L195-L274 HydrophobicContact CD1-CD2 4.36Å; L195-E277 PolarHBondContact N-OE1 2.94Å; L195-E277 PolarHBondContact N-OE2 3.09Å
196	L	53.3	Low	46.9	Very low	6 Å²	6	63 Å²	63	3%	0.031	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	1.8	-170.5	-54.1	173.6	0	0	0	114	V183 I190 S194 V203 L281	V183-L196 HydrophobicContact CG1-CB 4.39Å; V183-L196 HydrophobicContact CG2-CB 4.3Å; V183-L196 HydrophobicContact CG2-CD1 3.86Å; V183-L196 HydrophobicContact CG2-CD2 3.57Å; V183-L196 HydrophobicContact CG2-CG 4.08Å; I190-L196 HydrophobicContact CD1-CB 3.87Å; I190-L196 HydrophobicContact CG2-CB 4.08Å; S194-L196 PolarHBondContact O-N 2.71Å; S194-L196 WeakPolarHBondContact OG-CB 3.19Å; S194-L196 PolarHBondContact OG-N 3.39Å; S194-L196 VanDerWaalsContact OG-N 3.12Å; L196-V203 WeakPolarHBondContact O-CB 3.27Å; L196-L281 HydrophobicContact CD1-CD1 4.15Å
197	R	47.8	Very low	46.2	Very low	92 Å²	92	63.5 Å²	63.5	35%	0.347	33%	0.33	S	S	.	.			trans	-147.1	74.7	-175.5	-169.8	178.2	173.4	-142.7	-14.1	112.1	I190 N192 S194	I190-R197 HydrophobicContact CB-CB 4.17Å; I190-R197 HydrophobicContact CG2-CB 3.63Å; I190-R197 WeakPolarHBondContact O-CD 3.2Å; I190-R197 PolarHBondContact O-NH1 3.25Å; N192-R197 PolarHBondContact OD1-NH1 3.17Å; S194-R197 PolarHBondContact O-N 3.47Å
198	D	42.9	Very low	45.6	Very low	51 Å²	51	58.5 Å²	58.5	27%	0.273	32%	0.317	S	S	.	.			trans	-76.5	139.1	153.9	-166	-27.6	0	0	0	108.5	S200 I201 V203	D198-S200 VanDerWaalsContact C-N 3.27Å; D198-S200 WeakPolarHBondContact OD1-CB 3.26Å; D198-S200 PolarHBondContact OD1-N 3.03Å; D198-S200 PolarHBondContact OD1-OG 3.15Å; D198-I201 HydrophobicContact CB-CB 4.39Å; D198-I201 CarbonylContact O-C 3.58Å; D198-V203 HydrophobicContact CB-CG2 4.02Å
199	E	37.2	Very low	45	Very low	165 Å²	165	52.1 Å²	52.1	77%	0.771	29%	0.289	S	S	*	.	S	Bend	trans	-74.4	-21.8	176.5	-64.7	-173.2	162	0	0	112.1
200	S	40.7	Very low	44.4	Very low	99 Å²	99	49.6 Å²	49.6	69%	0.692	27%	0.271	S	S	*	.	S	Bend	trans	-82.5	-25.1	-179.1	-32.3	0	0	0	0	112.3	D198	D198-S200 VanDerWaalsContact C-N 3.27Å; D198-S200 WeakPolarHBondContact OD1-CB 3.26Å; D198-S200 PolarHBondContact OD1-N 3.03Å; D198-S200 PolarHBondContact OD1-OG 3.15Å
201	I	37.2	Very low	43.7	Very low	12 Å²	12	52 Å²	52	6%	0.062	28%	0.281	C	S	.	.	S	Bend	trans	-142	112	-168.4	-65.4	172.5	0	0	0	105.8	D198 V203 A206 K237 D239 L240	D198-I201 HydrophobicContact CB-CB 4.39Å; D198-I201 CarbonylContact O-C 3.58Å; I201-V203 WeakPolarHBondContact O-CG2 3.29Å; I201-V203 PolarHBondContact O-N 3.14Å; I201-A206 HydrophobicContact CG2-CB 3.39Å; I201-K237 HydrophobicContact CD1-CD 4.26Å; I201-D239 HydrophobicContact CD1-CB 4Å; I201-L240 HydrophobicContact CD1-CB 4.27Å; I201-L240 HydrophobicContact CG2-CD1 4.38Å
202	E	37.8	Very low	43.3	Very low	78 Å²	78	55.5 Å²	55.5	36%	0.364	30%	0.297	S	S	.	.			trans	-56.5	91.3	167.1	-65.2	-157.5	179.9	0	0	107.7	R187 G204 E205 A206	R187-E202 IonicContact CZ-OE1 3.63Å; R187-E202 IonicContact CZ-OE2 3.09Å; R187-E202 VanDerWaalsContact CZ-OE2 3.22Å; R187-E202 IonicContact NH1-OE1 2.95Å; R187-E202 IonicContact NH1-OE2 3.22Å; R187-E202 PolarHBondContact NH1-OE2 3.38Å; R187-E202 IonicContact NH2-OE1 2.74Å; R187-E202 PolarHBondContact NH2-OE1 3.27Å; R187-E202 IonicContact NH2-OE2 3.63Å; R187-E202 PolarHBondContact NH2-OE2 2.88Å; R187-E202 VanDerWaalsContact NH2-OE2 3.09Å; E202-G204 CarbonylContact O-C 3.55Å; E202-G204 PolarHBondContact O-N 2.79Å; E202-G204 VanDerWaalsContact O-N 3.07Å; E202-E205 HydrophobicContact CB-CB 3.76Å; E202-E205 HydrophobicContact CB-CG 3.69Å; E202-E205 WeakPolarHBondContact CB-OE2 3.43Å; E202-E205 HydrophobicContact CG-CG 4.35Å; E202-E205 WeakPolarHBondContact CG-OE2 3.35Å; E202-E205 CarbonylContact O-C 3.58Å; E202-E205 WeakPolarHBondContact O-CA 3.49Å; E202-E205 PolarHBondContact O-N 2.75Å; E202-E205 VanDerWaalsContact OE2-CG 3.25Å; E202-E205 WeakPolarHBondContact OE2-CG 3.31Å; E202-E205 VanDerWaalsContact OE2-OE1 3.09Å; E202-A206 PolarHBondContact O-N 2.75Å
203	V	40.2	Very low	43.1	Very low	4 Å²	4	51.3 Å²	51.3	2%	0.024	27%	0.273	C	S	.	.	H	α-helix	trans	-57.7	-34.1	-170.7	169.8	0	0	0	0	110	L195 L196 D198 I201 A206 W207 L240	L195-V203 WeakPolarHBondContact O-CG1 3.17Å; L196-V203 WeakPolarHBondContact O-CB 3.27Å; D198-V203 HydrophobicContact CB-CG2 4.02Å; I201-V203 WeakPolarHBondContact O-CG2 3.29Å; I201-V203 PolarHBondContact O-N 3.14Å; V203-A206 CarbonylContact O-C 3.52Å; V203-A206 PolarHBondContact O-N 3.07Å; V203-W207 HydrophobicContact CG1-CG 4.41Å; V203-W207 PolarHBondContact O-N 3.25Å; V203-L240 HydrophobicContact CG2-CD1 4.32Å
204	G	39.7	Very low	42.4	Very low	9 Å²	9	47.6 Å²	47.6	9%	0.093	25%	0.253	C	S	.	.	H	α-helix	trans	-53.4	-57.3	166.5	0	0	0	0	0	112.9	W180 E202 A206 W207 A208	W180-G204 VanDerWaalsContact CZ3-CA 3.41Å; W180-G204 WeakPolarHBondContact CZ3-O 3.35Å; E202-G204 CarbonylContact O-C 3.55Å; E202-G204 PolarHBondContact O-N 2.79Å; E202-G204 VanDerWaalsContact O-N 3.07Å; G204-A206 PolarHBondContact O-N 3.35Å; G204-W207 PolarHBondContact O-N 3.25Å; G204-A208 WeakPolarHBondContact O-CB 3.44Å; G204-A208 PolarHBondContact O-N 3.03Å
205	E	38.6	Very low	41.5	Very low	100 Å²	100	50.5 Å²	50.5	47%	0.467	27%	0.265	S	S	.	.	H	α-helix	trans	-66.1	-23.8	179	-59.3	-176.6	149.7	0	0	112.1	E202 G209	E202-E205 HydrophobicContact CB-CB 3.76Å; E202-E205 HydrophobicContact CB-CG 3.69Å; E202-E205 WeakPolarHBondContact CB-OE2 3.43Å; E202-E205 HydrophobicContact CG-CG 4.35Å; E202-E205 WeakPolarHBondContact CG-OE2 3.35Å; E202-E205 CarbonylContact O-C 3.58Å; E202-E205 WeakPolarHBondContact O-CA 3.49Å; E202-E205 PolarHBondContact O-N 2.75Å; E202-E205 VanDerWaalsContact OE2-CG 3.25Å; E202-E205 WeakPolarHBondContact OE2-CG 3.31Å; E202-E205 VanDerWaalsContact OE2-OE1 3.09Å; E205-G209 WeakPolarHBondContact O-CA 3.18Å; E205-G209 PolarHBondContact O-N 3.4Å
206	A	42.2	Very low	40.2	Very low	7 Å²	7	52.8 Å²	52.8	6%	0.058	28%	0.28	C	S	.	.	H	α-helix	trans	-73.5	-47.1	173.3	0	0	0	0	0	110.8	I201 E202 V203 G204 A208 G209 L210 L240	I201-A206 HydrophobicContact CG2-CB 3.39Å; E202-A206 PolarHBondContact O-N 2.75Å; V203-A206 CarbonylContact O-C 3.52Å; V203-A206 PolarHBondContact O-N 3.07Å; G204-A206 PolarHBondContact O-N 3.35Å; A206-A208 VanDerWaalsContact C-N 3.26Å; A206-A208 PolarHBondContact O-N 2.77Å; A206-G209 CarbonylContact O-C 3.58Å; A206-G209 PolarHBondContact O-N 3.07Å; A206-L210 WeakPolarHBondContact O-CB 3.24Å; A206-L210 WeakPolarHBondContact O-CG 3.4Å; A206-L210 PolarHBondContact O-N 3.19Å; A206-L240 HydrophobicContact CB-CD1 4.42Å; A206-L240 HydrophobicContact CB-CD2 3.76Å
207	W	42.4	Very low	38.8	Very low	21 Å²	21	59.2 Å²	59.2	8%	0.08	31%	0.313	C	S	.	.	H	α-helix	trans	-62.2	-33.5	169.8	-68.5	111.2	0	0	0	111.5	L166 L170 L179 V203 G204 L210 F211 I244	L166-W207 HydrophobicContact CD2-CH2 4.47Å; L170-W207 HydrophobicContact CD1-CE3 3.72Å; L170-W207 HydrophobicContact CD1-CZ3 3.51Å; L170-W207 HydrophobicContact CD2-CD2 4.41Å; L170-W207 HydrophobicContact CD2-CE3 3.16Å; L170-W207 HydrophobicContact CD2-CZ3 3.22Å; L170-W207 HydrophobicContact CG-CE3 3.9Å; L170-W207 HydrophobicContact CG-CZ3 3.58Å; L179-W207 HydrophobicContact CD2-CD2 4.47Å; V203-W207 HydrophobicContact CG1-CG 4.41Å; V203-W207 PolarHBondContact O-N 3.25Å; G204-W207 PolarHBondContact O-N 3.25Å; W207-L210 HydrophobicContact CE3-CD1 4.39Å; W207-F211 VanDerWaalsContact O-CB 3.3Å; W207-F211 WeakPolarHBondContact O-CB 3.42Å; W207-F211 PolarHBondContact O-N 2.82Å; W207-I244 HydrophobicContact CH2-CD1 4.28Å; W207-I244 HydrophobicContact CZ2-CD1 4.34Å
208	A	41.7	Very low	37.8	Very low	28 Å²	28	60 Å²	60	23%	0.231	33%	0.33	C	S	.	.	H	α-helix	trans	-71.2	-37.7	173	0	0	0	0	0	112.3	W180 G204 A206 L210 F211 D212	W180-A208 HydrophobicContact CE3-CB 4.18Å; W180-A208 HydrophobicContact CH2-CB 4.15Å; W180-A208 HydrophobicContact CZ2-CB 4.46Å; W180-A208 HydrophobicContact CZ3-CB 4.06Å; G204-A208 WeakPolarHBondContact O-CB 3.44Å; G204-A208 PolarHBondContact O-N 3.03Å; A206-A208 VanDerWaalsContact C-N 3.26Å; A206-A208 PolarHBondContact O-N 2.77Å; A208-L210 VanDerWaalsContact C-N 3.35Å; A208-F211 VanDerWaalsContact O-CB 3.31Å; A208-F211 WeakPolarHBondContact O-CB 3.35Å; A208-F211 PolarHBondContact O-N 3.4Å; A208-D212 PolarHBondContact O-N 3.27Å
209	G	40.9	Very low	36.9	Very low	26 Å²	26	65.5 Å²	65.5	27%	0.268	36%	0.358	S	S	.	.	H	α-helix	trans	-70.6	-30.8	173.7	0	0	0	0	0	112.7	E205 A206 Q213	E205-G209 WeakPolarHBondContact O-CA 3.18Å; E205-G209 PolarHBondContact O-N 3.4Å; A206-G209 CarbonylContact O-C 3.58Å; A206-G209 PolarHBondContact O-N 3.07Å; G209-Q213 WeakPolarHBondContact O-CG 3.47Å; G209-Q213 PolarHBondContact O-NE2 3.09Å
210	L	43.2	Very low	36.2	Very low	12 Å²	12	62.1 Å²	62.1	6%	0.063	35%	0.353	C	S	.	.	H	α-helix	trans	-71.6	-33.9	167.7	-68.5	-178.8	0	0	0	111.3	F153 L170 A206 W207 A208 Q213 L240	F153-L210 HydrophobicContact CD1-CD2 4.37Å; F153-L210 HydrophobicContact CE1-CD1 3.88Å; F153-L210 HydrophobicContact CE1-CD2 3.46Å; F153-L210 VanDerWaalsContact CE1-CD2 3.46Å; F153-L210 HydrophobicContact CE1-CG 4.25Å; F153-L210 HydrophobicContact CZ-CD1 4.13Å; F153-L210 HydrophobicContact CZ-CD2 4.2Å; L170-L210 HydrophobicContact CD1-CB 4.42Å; L170-L210 HydrophobicContact CD1-CD1 3.99Å; A206-L210 WeakPolarHBondContact O-CB 3.24Å; A206-L210 WeakPolarHBondContact O-CG 3.4Å; A206-L210 PolarHBondContact O-N 3.19Å; W207-L210 HydrophobicContact CE3-CD1 4.39Å; A208-L210 VanDerWaalsContact C-N 3.35Å; L210-Q213 WeakPolarHBondContact O-CB 3.47Å; L210-Q213 PolarHBondContact O-N 2.76Å; L210-L240 HydrophobicContact CD1-CD2 3.85Å
211	F	40.5	Very low	35.4	Very low	56 Å²	56	63.6 Å²	63.6	25%	0.246	36%	0.358	C	S	.	.	H	α-helix	trans	-65.2	-41.1	175.5	-179.5	-91.3	0	0	0	112.3	Q177 W207 A208 Q213 I214	Q177-F211 HydrophobicContact CG-CE2 4.06Å; Q177-F211 HydrophobicContact CG-CZ 4.23Å; W207-F211 VanDerWaalsContact O-CB 3.3Å; W207-F211 WeakPolarHBondContact O-CB 3.42Å; W207-F211 PolarHBondContact O-N 2.82Å; A208-F211 VanDerWaalsContact O-CB 3.31Å; A208-F211 WeakPolarHBondContact O-CB 3.35Å; A208-F211 PolarHBondContact O-N 3.4Å; F211-Q213 PolarHBondContact O-N 3.45Å; F211-I214 PolarHBondContact O-N 2.83Å
212	D	40.3	Very low	34.6	Very low	130 Å²	130	72 Å²	72	70%	0.695	40%	0.399	S	S	*	.	H	α-helix	trans	-65.1	-23.7	176.5	-88.1	1.8	0	0	0	112.8	A208	A208-D212 PolarHBondContact O-N 3.27Å
213	Q	42.6	Very low	33.9	Very low	20 Å²	20	74.6 Å²	74.6	9%	0.093	42%	0.42	C	S	.	.	H	α-helix	trans	-76.5	-24.2	178.4	-73.1	176	38.6	0	0	113.9	A150 G209 L210 F211 V235	A150-Q213 WeakPolarHBondContact O-CG 3.47Å; G209-Q213 WeakPolarHBondContact O-CG 3.47Å; G209-Q213 PolarHBondContact O-NE2 3.09Å; L210-Q213 WeakPolarHBondContact O-CB 3.47Å; L210-Q213 PolarHBondContact O-N 2.76Å; F211-Q213 PolarHBondContact O-N 3.45Å; Q213-V235 PolarHBondContact NE2-O 2.93Å; Q213-V235 VanDerWaalsContact NE2-O 3.1Å
214	I	36.7	Very low	33.2	Very low	54 Å²	54	79.4 Å²	79.4	28%	0.277	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	2.8	-173	-58.4	171.4	0	0	0	112.2	L170 F211	L170-I214 HydrophobicContact CB-CD1 3.77Å; F211-I214 PolarHBondContact O-N 2.83Å
215	Q	33	Very low	32.4	Very low	76 Å²	76	84.8 Å²	84.8	36%	0.355	49%	0.486	S	S	.	.			trans	-119.4	111.4	-172.4	-88.3	-94.3	-113	0	0	115.3	K173 L217	K173-Q215 VanDerWaalsContact CE-NE2 3.34Å; Q215-L217 PolarHBondContact O-N 3.15Å
216	V	25.3	Very low	31.6	Very low	63 Å²	63	86.9 Å²	86.9	38%	0.382	50%	0.5	S	S	.	.	S	Bend	trans	-55.9	121.9	143.9	178.3	0	0	0	0	109.8	P149	P149-V216 HydrophobicContact CG-CG2 4.26Å
217	L	24.3	Very low	30.6	Very low	140 Å²	140	91.7 Å²	91.7	73%	0.733	53%	0.528	S	S	*	.	S	Bend	trans	67.7	148.8	160.7	-68.3	172.8	0	0	0	121.9	Q215	Q215-L217 PolarHBondContact O-N 3.15Å
218	P	27.2	Very low	29.7	Very low	109 Å²	109	99.9 Å²	99.9	71%	0.708	56%	0.561	S	S	*	*			trans	-106.4	141.8	-156.6	37.2	-26.9	0	0	0	114.1
219	I	22.5	Very low	28.7	Very low	167 Å²	167	107.1 Å²	107.1	86%	0.856	59%	0.587	S	S	*	*			trans	-105.1	99.2	155.7	-63.4	175.4	0	0	0	106.9
220	S	22.7	Very low	27.8	Very low	94 Å²	94	112.8 Å²	112.8	66%	0.657	61%	0.611	S	S	*	*			trans	-43.9	144.4	164.1	49.4	0	0	0	0	111.2
221	T	23.7	Very low	27.1	Very low	130 Å²	130	116.4 Å²	116.4	80%	0.798	65%	0.651	S	S	*	*			trans	100.9	79.7	173.5	68.2	0	0	0	0	116.4
222	M	21.3	Very low	26.5	Very low	189 Å²	189	121.2 Å²	121.2	93%	0.931	68%	0.679	S	S	*	*				-176.7	105.7	127.1	-88.2	-93.5	-82.5	0	0	110.8
223	T	23.4	Very low	26.3	Very low	131 Å²	131	118.8 Å²	118.8	80%	0.804	68%	0.678	S	S	*	*			trans	-24.1	151.4	161	-43.6	0	0	0	0	118.3
224	P	25.6	Very low	26.3	Very low	105 Å²	105	119.5 Å²	119.5	68%	0.682	69%	0.687	S	S	*	*			cis	-115.8	158.2	-36.1	36.8	-22	0	0	0	112.5	L226	P224-L226 PolarHBondContact O-N 2.77Å
225	C	22.1	Very low	26.8	Very low	122 Å²	122	120 Å²	120	82%	0.824	69%	0.692	S	S	*	*			trans	-41	134.2	154.7	-53.3	0	0	0	0	112.1
226	L	21.3	Very low	27.6	Very low	144 Å²	144	118.9 Å²	118.9	75%	0.754	69%	0.689	S	S	*	*			trans	-144.8	100.9	146.3	-75.7	-176.6	0	0	0	112	P224	P224-L226 PolarHBondContact O-N 2.77Å
227	V	21.4	Very low	29.6	Very low	108 Å²	108	118.4 Å²	118.4	66%	0.655	68%	0.681	S	S	*	*			trans	67.4	94.7	134.2	-162.9	0	0	0	0	118.2
228	Y	23.2	Very low	32	Very low	194 Å²	194	114.1 Å²	114.1	76%	0.761	66%	0.662	S	S	*	*				-112.6	136	115	-118.2	-101.7	0	0	0	108.1	N230	Y228-N230 PolarHBondContact O-N 2.83Å
229	K	20.9	Very low	34	Very low	180 Å²	180	114.4 Å²	114.4	78%	0.783	66%	0.658	S	S	*	*	S	Bend	trans	-56.2	130.7	-172.4	-76.8	174.8	174.2	173.3	0	110.4
230	N	23.3	Very low	36.3	Very low	144 Å²	144	106.8 Å²	106.8	77%	0.77	62%	0.619	S	S	*	*	S	Bend	trans	57.3	90	158.2	-61.9	-11.5	0	0	0	116.3	Y228 D232	Y228-N230 PolarHBondContact O-N 2.83Å; N230-D232 PolarHBondContact O-N 2.88Å
231	G	28.3	Very low	39	Very low	88 Å²	88	102.4 Å²	102.4	91%	0.907	59%	0.588	S	S	*	*			trans	62.7	2	130.9	0	0	0	0	0	120.3
232	D	27.4	Very low	41.7	Very low	157 Å²	157	99.2 Å²	99.2	84%	0.84	56%	0.564	S	S	*	*			trans	-88	131.9	178.6	-93.5	-28.5	0	0	0	111.8	N230	N230-D232 PolarHBondContact O-N 2.88Å
233	A	35.5	Very low	44.2	Very low	80 Å²	80	91.7 Å²	91.7	66%	0.661	53%	0.532	S	S	*	.	S	Bend	trans	-56.2	155	177.7	0	0	0	0	0	112.4
234	A	42.6	Very low	46.9	Very low	35 Å²	35	85.7 Å²	85.7	29%	0.289	50%	0.495	S	S	.	.	S	Bend	trans	41.7	98.3	165.7	0	0	0	0	0	114.5	A150 D236	A150-A234 HydrophobicContact CB-CB 4.32Å; A234-D236 PolarHBondContact O-N 3.05Å
235	V	48	Very low	49.5	Very low	63 Å²	63	81 Å²	81	38%	0.382	46%	0.464	S	S	.	.			trans	-69.6	83.2	172.3	-178.8	0	0	0	0	108.7	Q213 K237	Q213-V235 PolarHBondContact NE2-O 2.93Å; Q213-V235 VanDerWaalsContact NE2-O 3.1Å; V235-K237 HydrophobicContact CG1-CB 4.47Å; V235-K237 HydrophobicContact CG1-CD 3.53Å; V235-K237 HydrophobicContact CG1-CG 3.55Å; V235-K237 PolarHBondContact O-N 2.95Å
236	D	50.3	Low	52.2	Low	54 Å²	54	79 Å²	79	29%	0.289	45%	0.445	S	S	.	.			trans	-74	110.2	160.4	-172.4	11	0	0	0	107.5	S154 A234 P238	S154-D236 WeakPolarHBondContact CA-OD1 3.31Å; S154-D236 WeakPolarHBondContact CB-OD1 3.46Å; S154-D236 VanDerWaalsContact CB-OD2 3.27Å; S154-D236 WeakPolarHBondContact CB-OD2 3.46Å; S154-D236 PolarHBondContact N-OD1 3.11Å; S154-D236 PolarHBondContact OG-OD1 2.88Å; S154-D236 VanDerWaalsContact OG-OD1 3.12Å; S154-D236 PolarHBondContact OG-OD2 2.98Å; A234-D236 PolarHBondContact O-N 3.05Å; D236-P238 WeakPolarHBondContact O-CD 3.29Å
237	K	67	Low	54.9	Low	52 Å²	52	74.8 Å²	74.8	23%	0.226	42%	0.42	C	S	.	.			trans	-117.5	85	177	-84.9	176.6	178.7	-176.2	0	108.5	I201 V235 D239 L240 L241	I201-K237 HydrophobicContact CD1-CD 4.26Å; V235-K237 HydrophobicContact CG1-CB 4.47Å; V235-K237 HydrophobicContact CG1-CD 3.53Å; V235-K237 HydrophobicContact CG1-CG 3.55Å; V235-K237 PolarHBondContact O-N 2.95Å; K237-D239 PolarHBondContact O-N 3.49Å; K237-D239 VanDerWaalsContact O-N 3.12Å; K237-L240 HydrophobicContact CB-CB 3.98Å; K237-L240 WeakPolarHBondContact O-CB 3.46Å; K237-L240 PolarHBondContact O-N 2.95Å; K237-L241 PolarHBondContact O-N 3.47Å
238	P	73.4	Confident	57.7	Low	50 Å²	50	69.7 Å²	69.7	33%	0.325	39%	0.389	S	S	.	.	H	α-helix	trans	-53	-33.3	175.7	20.4	-33.4	0	0	0	112	L156 D236 L240 L241 Q242	L156-P238 HydrophobicContact CD2-CB 3.55Å; D236-P238 WeakPolarHBondContact O-CD 3.29Å; P238-L240 VanDerWaalsContact C-N 3.34Å; P238-L240 PolarHBondContact O-N 3.31Å; P238-L241 PolarHBondContact O-N 2.99Å; P238-Q242 WeakPolarHBondContact O-CB 3.48Å; P238-Q242 PolarHBondContact O-N 3.42Å
239	D	71	Confident	60.6	Low	116 Å²	116	60.8 Å²	60.8	62%	0.62	36%	0.356	S	S	*	.	H	α-helix	trans	-60.9	-38.5	175.9	-60.4	-27.6	0	0	0	113.1	I201 K237 Q242 A243	I201-D239 HydrophobicContact CD1-CB 4Å; K237-D239 PolarHBondContact O-N 3.49Å; K237-D239 VanDerWaalsContact O-N 3.12Å; D239-Q242 PolarHBondContact O-N 3.45Å; D239-A243 WeakPolarHBondContact O-CB 2.92Å; D239-A243 PolarHBondContact O-N 3.32Å
240	L	69.7	Low	63.3	Low	7 Å²	7	56.2 Å²	56.2	4%	0.037	35%	0.352	C	S	.	.	H	α-helix	trans	-71	-42.2	177.6	179.8	68.6	0	0	0	111.2	I201 V203 A206 L210 K237 P238 Q242 A243 I244	I201-L240 HydrophobicContact CD1-CB 4.27Å; I201-L240 HydrophobicContact CG2-CD1 4.38Å; V203-L240 HydrophobicContact CG2-CD1 4.32Å; A206-L240 HydrophobicContact CB-CD1 4.42Å; A206-L240 HydrophobicContact CB-CD2 3.76Å; L210-L240 HydrophobicContact CD1-CD2 3.85Å; K237-L240 HydrophobicContact CB-CB 3.98Å; K237-L240 WeakPolarHBondContact O-CB 3.46Å; K237-L240 PolarHBondContact O-N 2.95Å; P238-L240 VanDerWaalsContact C-N 3.34Å; P238-L240 PolarHBondContact O-N 3.31Å; L240-Q242 PolarHBondContact O-N 3.43Å; L240-A243 PolarHBondContact O-N 2.93Å; L240-I244 HydrophobicContact CG-CD1 4.35Å; L240-I244 WeakPolarHBondContact O-CG1 3.24Å; L240-I244 PolarHBondContact O-N 3.48Å
241	L	79.1	Confident	66	Low	2 Å²	2	53.6 Å²	53.6	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-61.7	-39.2	175.7	-67.1	171.8	0	0	0	110.5	F153 S154 L156 M162 L166 K237 P238 I244 K245	F153-L241 HydrophobicContact CB-CD1 3.8Å; F153-L241 HydrophobicContact CB-CD2 4.31Å; F153-L241 HydrophobicContact CD1-CD1 4.13Å; F153-L241 HydrophobicContact CD1-CD2 3.79Å; F153-L241 HydrophobicContact CD1-CG 4.36Å; F153-L241 HydrophobicContact CE1-CD2 4.18Å; F153-L241 HydrophobicContact CG-CD1 4.25Å; F153-L241 HydrophobicContact CG-CD2 3.98Å; S154-L241 VanDerWaalsContact O-CD1 3.29Å; S154-L241 WeakPolarHBondContact O-CD1 3.12Å; L156-L241 HydrophobicContact CD1-CB 3.71Å; L156-L241 HydrophobicContact CG-CB 4.32Å; M162-L241 HydrophobicContact CE-CB 3.96Å; M162-L241 HydrophobicContact CE-CD2 4.25Å; L166-L241 HydrophobicContact CD1-CD2 3.64Å; K237-L241 PolarHBondContact O-N 3.47Å; P238-L241 PolarHBondContact O-N 2.99Å; L241-I244 PolarHBondContact O-N 3.44Å; L241-K245 WeakPolarHBondContact O-CB 3.3Å; L241-K245 PolarHBondContact O-N 3.37Å
242	Q	80.4	Confident	68.7	Low	63 Å²	63	50 Å²	50	29%	0.294	30%	0.303	S	S	.	.	H	α-helix	trans	-65.7	-43.1	174.7	-170.7	60.6	52.6	0	0	111.3	L156 P238 D239 L240 I244 K245 D246	L156-Q242 HydrophobicContact CD1-CB 4.03Å; P238-Q242 WeakPolarHBondContact O-CB 3.48Å; P238-Q242 PolarHBondContact O-N 3.42Å; D239-Q242 PolarHBondContact O-N 3.45Å; L240-Q242 PolarHBondContact O-N 3.43Å; Q242-I244 VanDerWaalsContact C-N 3.33Å; Q242-I244 PolarHBondContact O-N 3.48Å; Q242-K245 WeakPolarHBondContact O-CB 3.15Å; Q242-K245 PolarHBondContact O-N 3.06Å; Q242-D246 PolarHBondContact NE2-OD1 2.81Å; Q242-D246 WeakPolarHBondContact O-CB 3.34Å; Q242-D246 PolarHBondContact O-N 2.8Å
243	A	75.3	Confident	71.5	Confident	31 Å²	31	45.4 Å²	45.4	26%	0.256	29%	0.293	S	S	.	.	H	α-helix	trans	-61.5	-39.5	175.8	0	0	0	0	0	112.7	D239 L240 K247	D239-A243 WeakPolarHBondContact O-CB 2.92Å; D239-A243 PolarHBondContact O-N 3.32Å; L240-A243 PolarHBondContact O-N 2.93Å; A243-K247 PolarHBondContact O-N 3.29Å; A243-K247 VanDerWaalsContact O-N 3.14Å
244	I	78.5	Confident	74	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.021	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-48.9	173.7	-68.2	169	0	0	0	110.1	M162 L166 L195 W207 L240 L241 Q242 D246 K247 V248 F266	M162-I244 HydrophobicContact SD-CG2 4.24Å; L166-I244 HydrophobicContact CD1-CD1 4.17Å; L166-I244 HydrophobicContact CD2-CD1 4.35Å; L195-I244 HydrophobicContact CD2-CB 4.41Å; L195-I244 HydrophobicContact CD2-CG1 4.25Å; W207-I244 HydrophobicContact CH2-CD1 4.28Å; W207-I244 HydrophobicContact CZ2-CD1 4.34Å; L240-I244 HydrophobicContact CG-CD1 4.35Å; L240-I244 WeakPolarHBondContact O-CG1 3.24Å; L240-I244 PolarHBondContact O-N 3.48Å; L241-I244 PolarHBondContact O-N 3.44Å; Q242-I244 VanDerWaalsContact C-N 3.33Å; Q242-I244 PolarHBondContact O-N 3.48Å; I244-D246 PolarHBondContact O-N 3.37Å; I244-K247 PolarHBondContact O-N 3.21Å; I244-V248 WeakPolarHBondContact O-CG2 3.42Å; I244-V248 PolarHBondContact O-N 2.73Å; I244-F266 HydrophobicContact CG2-CZ 4.36Å
245	K	81.2	Confident	76.1	Confident	7 Å²	7	45.5 Å²	45.5	3%	0.03	27%	0.268	C	S	.	.	H	α-helix	trans	-58.1	-49.6	178	-175.8	-175.3	174.3	-170.8	0	111.4	M162 L241 Q242 K247 V248 A249 F255 D257	M162-K245 HydrophobicContact SD-CB 4.23Å; L241-K245 WeakPolarHBondContact O-CB 3.3Å; L241-K245 PolarHBondContact O-N 3.37Å; Q242-K245 WeakPolarHBondContact O-CB 3.15Å; Q242-K245 PolarHBondContact O-N 3.06Å; K245-K247 VanDerWaalsContact C-N 3.28Å; K245-K247 PolarHBondContact O-N 2.78Å; K245-V248 PolarHBondContact O-N 2.79Å; K245-A249 WeakPolarHBondContact O-CB 3.32Å; K245-A249 PolarHBondContact O-N 3.04Å; K245-F255 WeakPolarHBondContact CE-O 3.46Å; K245-D257 WeakPolarHBondContact CE-O 3.26Å; K245-D257 PolarHBondContact NZ-O 2.96Å
246	D	79.3	Confident	77.9	Confident	81 Å²	81	47.7 Å²	47.7	43%	0.433	28%	0.278	S	S	.	.	H	α-helix	trans	-59.5	-39.2	-178.1	-72.3	-13.9	0	0	0	111.7	Q242 I244 A250	Q242-D246 PolarHBondContact NE2-OD1 2.81Å; Q242-D246 WeakPolarHBondContact O-CB 3.34Å; Q242-D246 PolarHBondContact O-N 2.8Å; I244-D246 PolarHBondContact O-N 3.37Å; D246-A250 WeakPolarHBondContact O-CB 3.41Å; D246-A250 PolarHBondContact O-N 3Å
247	K	77.2	Confident	79.5	Confident	55 Å²	55	48.3 Å²	48.3	24%	0.239	28%	0.281	C	S	.	.	H	α-helix	trans	-69.7	-46.6	176.2	-168.1	101.5	172.2	129.1	0	112.5	N193 L195 A243 I244 K245 A249 A250 T251 Q273 E277	N193-K247 WeakPolarHBondContact O-CD 3.5Å; N193-K247 WeakPolarHBondContact O-CE 3.46Å; N193-K247 PolarHBondContact O-NZ 3.36Å; L195-K247 HydrophobicContact CD1-CB 4.25Å; L195-K247 HydrophobicContact CD1-CG 3.9Å; L195-K247 HydrophobicContact CD2-CB 3.31Å; L195-K247 HydrophobicContact CD2-CD 4.36Å; L195-K247 HydrophobicContact CD2-CG 3.79Å; L195-K247 HydrophobicContact CG-CB 3.64Å; L195-K247 HydrophobicContact CG-CD 3.86Å; L195-K247 HydrophobicContact CG-CG 3.46Å; L195-K247 VanDerWaalsContact CG-CG 3.46Å; A243-K247 PolarHBondContact O-N 3.29Å; A243-K247 VanDerWaalsContact O-N 3.14Å; I244-K247 PolarHBondContact O-N 3.21Å; K245-K247 VanDerWaalsContact C-N 3.28Å; K245-K247 PolarHBondContact O-N 2.78Å; K247-A249 PolarHBondContact O-N 3.01Å; K247-A250 WeakPolarHBondContact O-CB 3.35Å; K247-A250 PolarHBondContact O-N 3.28Å; K247-T251 PolarHBondContact O-N 3.48Å; K247-Q273 PolarHBondContact O-OE1 3.44Å; K247-E277 WeakPolarHBondContact CE-OE1 2.74Å; K247-E277 IonicContact NZ-OE1 2.74Å
248	V	80.7	Confident	80.4	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.9	-39.6	179	174.6	0	0	0	0	109.8	I244 K245 A250 T251 A252 F255 F266 L269 L270	I244-V248 WeakPolarHBondContact O-CG2 3.42Å; I244-V248 PolarHBondContact O-N 2.73Å; K245-V248 PolarHBondContact O-N 2.79Å; V248-A250 VanDerWaalsContact C-N 3.34Å; V248-A250 PolarHBondContact O-N 2.54Å; V248-T251 PolarHBondContact O-N 2.85Å; V248-A252 PolarHBondContact O-N 3.16Å; V248-F255 HydrophobicContact CG1-CD2 3.95Å; V248-F255 HydrophobicContact CG1-CE2 4.42Å; V248-F255 HydrophobicContact CG1-CG 4.21Å; V248-F266 HydrophobicContact CB-CE2 4.12Å; V248-F266 HydrophobicContact CG1-CD2 4.02Å; V248-F266 HydrophobicContact CG1-CE2 3.89Å; V248-F266 HydrophobicContact CG2-CE2 3.99Å; V248-F266 HydrophobicContact CG2-CZ 4.42Å; V248-L269 HydrophobicContact CG1-CB 4.5Å; V248-L270 HydrophobicContact CG2-CD1 4.37Å
249	A	83.3	Confident	80.8	Confident	7 Å²	7	52.1 Å²	52.1	6%	0.058	30%	0.301	C	S	.	.	H	α-helix	trans	-62.9	-34.6	173.3	0	0	0	0	0	113.2	K245 K247 T251 A252 G253 F255 N256	K245-A249 WeakPolarHBondContact O-CB 3.32Å; K245-A249 PolarHBondContact O-N 3.04Å; K247-A249 PolarHBondContact O-N 3.01Å; A249-T251 VanDerWaalsContact C-N 3.27Å; A249-T251 PolarHBondContact O-N 2.9Å; A249-A252 WeakPolarHBondContact CA-O 3.48Å; A249-A252 CarbonylContact O-C 3.48Å; A249-A252 PolarHBondContact O-N 2.8Å; A249-G253 VanDerWaalsContact O-CA 3.29Å; A249-G253 WeakPolarHBondContact O-CA 3.39Å; A249-G253 PolarHBondContact O-N 2.95Å; A249-F255 HydrophobicContact CB-CB 4.18Å; A249-N256 HydrophobicContact CB-CB 4.02Å
250	A	79	Confident	81.5	Confident	85 Å²	85	50.6 Å²	50.6	70%	0.702	29%	0.29	S	S	*	.	H	α-helix	trans	-64.3	-31.6	174.9	0	0	0	0	0	112.7	D246 K247 V248	D246-A250 WeakPolarHBondContact O-CB 3.41Å; D246-A250 PolarHBondContact O-N 3Å; K247-A250 WeakPolarHBondContact O-CB 3.35Å; K247-A250 PolarHBondContact O-N 3.28Å; V248-A250 VanDerWaalsContact C-N 3.34Å; V248-A250 PolarHBondContact O-N 2.54Å
251	T	79.6	Confident	82.3	Confident	89 Å²	89	52 Å²	52	55%	0.546	30%	0.296	S	S	.	.	H	α-helix	trans	-83.6	-37.6	174.8	-55.7	0	0	0	0	111.7	K247 V248 A249 Q273	K247-T251 PolarHBondContact O-N 3.48Å; V248-T251 PolarHBondContact O-N 2.85Å; A249-T251 VanDerWaalsContact C-N 3.27Å; A249-T251 PolarHBondContact O-N 2.9Å; T251-Q273 HydrophobicContact CG2-CG 4.13Å; T251-Q273 PolarHBondContact OG1-OE1 3.45Å
252	A	85.5	Confident	82.8	Confident	13 Å²	13	56.4 Å²	56.4	11%	0.107	32%	0.32	C	S	.	.	S	Bend	trans	-134	94.9	-179.2	0	0	0	0	0	110.7	V248 A249 R254 F255 L269	V248-A252 PolarHBondContact O-N 3.16Å; A249-A252 WeakPolarHBondContact CA-O 3.48Å; A249-A252 CarbonylContact O-C 3.48Å; A249-A252 PolarHBondContact O-N 2.8Å; A252-R254 HydrophobicContact CB-CG 4.35Å; A252-R254 PolarHBondContact O-N 3.1Å; A252-F255 HydrophobicContact CB-CD2 3.94Å; A252-F255 HydrophobicContact CB-CE2 4.22Å; A252-F255 PolarHBondContact O-N 2.78Å; A252-L269 HydrophobicContact CB-CD1 4.07Å; A252-L269 HydrophobicContact CB-CD2 4.17Å
253	G	86	Confident	83.3	Confident	60 Å²	60	54.9 Å²	54.9	62%	0.619	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-57.8	-12.4	-172.1	0	0	0	0	0	116.6	A249 F255 N256	A249-G253 VanDerWaalsContact O-CA 3.29Å; A249-G253 WeakPolarHBondContact O-CA 3.39Å; A249-G253 PolarHBondContact O-N 2.95Å; G253-F255 VanDerWaalsContact C-N 3.3Å; G253-F255 PolarHBondContact O-N 3.16Å; G253-N256 WeakPolarHBondContact O-CB 3.31Å; G253-N256 PolarHBondContact O-N 3.15Å
254	R	87.6	Confident	84	Confident	116 Å²	116	59.2 Å²	59.2	44%	0.438	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-62	-33.1	171.8	61	-179.3	149.5	-170	3.3	113.6	A252 N256 H261 E265	A252-R254 HydrophobicContact CB-CG 4.35Å; A252-R254 PolarHBondContact O-N 3.1Å; R254-N256 PolarHBondContact O-N 2.78Å; R254-H261 PolarHBondContact O-CE1 3.24Å; R254-H261 PolarHBondContact O-NE2 2.98Å; R254-E265 IonicContact CZ-OE1 3.55Å; R254-E265 IonicContact CZ-OE2 3.98Å; R254-E265 IonicContact NE-OE2 3.99Å; R254-E265 IonicContact NH1-OE1 2.69Å; R254-E265 PolarHBondContact NH1-OE1 3.41Å; R254-E265 IonicContact NH1-OE2 2.77Å; R254-E265 PolarHBondContact NH1-OE2 3.28Å; R254-E265 IonicContact NH2-OE1 3.3Å; R254-E265 PolarHBondContact NH2-OE1 2.91Å; R254-E265 IonicContact NH2-OE2 3.86Å
255	F	85.9	Confident	84.5	Confident	1 Å²	1	61.9 Å²	61.9	0%	0.004	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-78.6	0.1	179.5	-66.8	-80	0	0	0	113.3	Y161 K245 V248 A249 A252 G253 D257 H261 E265 F266 L269	Y161-F255 AromaticContact CE2-CD1 3.91Å; Y161-F255 HydrophobicContact CE2-CD1 3.91Å; Y161-F255 AromaticContact CE2-CE1 3.86Å; Y161-F255 HydrophobicContact CE2-CE1 3.86Å; K245-F255 WeakPolarHBondContact CE-O 3.46Å; V248-F255 HydrophobicContact CG1-CD2 3.95Å; V248-F255 HydrophobicContact CG1-CE2 4.42Å; V248-F255 HydrophobicContact CG1-CG 4.21Å; A249-F255 HydrophobicContact CB-CB 4.18Å; A252-F255 HydrophobicContact CB-CD2 3.94Å; A252-F255 HydrophobicContact CB-CE2 4.22Å; A252-F255 PolarHBondContact O-N 2.78Å; G253-F255 VanDerWaalsContact C-N 3.3Å; G253-F255 PolarHBondContact O-N 3.16Å; F255-D257 VanDerWaalsContact C-N 3.27Å; F255-D257 PolarHBondContact O-N 2.94Å; F255-H261 HydrophobicContact CD1-CB 3.97Å; F255-H261 AromaticContact CD1-CD2 3.96Å; F255-H261 AromaticContact CD1-CG 3.72Å; F255-H261 HydrophobicContact CE1-CB 3.5Å; F255-H261 AromaticContact CE1-CG 3.72Å; F255-H261 HydrophobicContact CZ-CB 4.42Å; F255-E265 HydrophobicContact CZ-CG 4.22Å; F255-F266 HydrophobicContact CD1-CD2 4.08Å; F255-F266 HydrophobicContact CE1-CB 3.9Å; F255-F266 AromaticContact CE1-CD2 3.85Å; F255-F266 HydrophobicContact CE1-CD2 3.85Å; F255-F266 HydrophobicContact CE1-CG 4.36Å; F255-F266 HydrophobicContact CZ-CB 4.09Å; F255-F266 HydrophobicContact CZ-CD2 4.35Å; F255-L269 HydrophobicContact CD2-CD1 4.32Å; F255-L269 HydrophobicContact CE2-CD1 3.37Å; F255-L269 HydrophobicContact CZ-CD1 4.02Å
256	N	85.5	Confident	84.8	Confident	109 Å²	109	61.6 Å²	61.6	58%	0.583	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-77	-13.9	-179.3	-165.3	43.4	0	0	0	113.1	A249 G253 R254	A249-N256 HydrophobicContact CB-CB 4.02Å; G253-N256 WeakPolarHBondContact O-CB 3.31Å; G253-N256 PolarHBondContact O-N 3.15Å; R254-N256 PolarHBondContact O-N 2.78Å
257	D	85.4	Confident	85.3	Confident	67 Å²	67	60 Å²	60	36%	0.358	34%	0.335	S	S	.	.	S	Bend	trans	-86.1	-174.6	177.8	72.7	13.7	0	0	0	112.1	K245 F255 S259 H261	K245-D257 WeakPolarHBondContact CE-O 3.26Å; K245-D257 PolarHBondContact NZ-O 2.96Å; F255-D257 VanDerWaalsContact C-N 3.27Å; F255-D257 PolarHBondContact O-N 2.94Å; D257-S259 PolarHBondContact OD1-N 3.45Å; D257-S259 PolarHBondContact OD1-OG 3.49Å; D257-S259 WeakPolarHBondContact OD2-CB 3.4Å; D257-S259 PolarHBondContact OD2-OG 2.7Å; D257-H261 IonicContact OD1-CD2 2.98Å; D257-H261 IonicContact OD1-CE1 3.14Å; D257-H261 IonicContact OD1-NE2 3.28Å; D257-H261 PolarHBondContact OD1-NE2 3.42Å; D257-H261 IonicContact OD2-NE2 3.99Å
258	H	84	Confident	85.9	Confident	135 Å²	135	60.3 Å²	60.3	63%	0.625	34%	0.341	S	S	*	.	S	Bend	trans	-108.1	23.1	175.8	-58.6	77.9	0	0	0	110.8	N158	N158-H258 PolarHBondContact ND2-O 3.45Å
259	S	83.8	Confident	86.2	Confident	47 Å²	47	61.8 Å²	61.8	33%	0.329	35%	0.349	S	S	.	.	S	Bend	trans	-86.2	166.9	178.6	73.9	0	0	0	0	111.5	D257 H261	D257-S259 PolarHBondContact OD1-N 3.45Å; D257-S259 PolarHBondContact OD1-OG 3.49Å; D257-S259 WeakPolarHBondContact OD2-CB 3.4Å; D257-S259 PolarHBondContact OD2-OG 2.7Å; S259-H261 PolarHBondContact O-CD2 3.3Å; S259-H261 PolarHBondContact OG-CE1 2.84Å; S259-H261 PolarHBondContact OG-NE2 3.38Å
260	E	83.9	Confident	86.4	Confident	84 Å²	84	61.6 Å²	61.6	39%	0.393	35%	0.347	S	S	.	.			trans	-72.4	140.9	170.6	-61.8	175.7	160.2	0	0	109.8	N158	N158-E260 HydrophobicContact CB-CG 3.96Å
261	H	87.9	Confident	86.8	Confident	36 Å²	36	58.7 Å²	58.7	17%	0.167	32%	0.319	C	S	.	.			trans	-129.5	160.7	178	-68.1	-82.9	0	0	0	111.6	Y161 R254 F255 D257 S259 A263	Y161-H261 VanDerWaalsContact CB-O 3.25Å; Y161-H261 WeakPolarHBondContact CB-O 3.31Å; Y161-H261 HydrophobicContact CD1-CB 4.2Å; Y161-H261 HydrophobicContact CD2-CB 4.12Å; Y161-H261 HydrophobicContact CE1-CB 4Å; Y161-H261 AromaticContact CE1-CD2 3.92Å; Y161-H261 HydrophobicContact CE2-CB 3.96Å; Y161-H261 HydrophobicContact CG-CB 4.26Å; Y161-H261 AromaticContact CZ-CD2 3.84Å; R254-H261 PolarHBondContact O-CE1 3.24Å; R254-H261 PolarHBondContact O-NE2 2.98Å; F255-H261 HydrophobicContact CD1-CB 3.97Å; F255-H261 AromaticContact CD1-CD2 3.96Å; F255-H261 AromaticContact CD1-CG 3.72Å; F255-H261 HydrophobicContact CE1-CB 3.5Å; F255-H261 AromaticContact CE1-CG 3.72Å; F255-H261 HydrophobicContact CZ-CB 4.42Å; D257-H261 IonicContact OD1-CD2 2.98Å; D257-H261 IonicContact OD1-CE1 3.14Å; D257-H261 IonicContact OD1-NE2 3.28Å; D257-H261 PolarHBondContact OD1-NE2 3.42Å; D257-H261 IonicContact OD2-NE2 3.99Å; S259-H261 PolarHBondContact O-CD2 3.3Å; S259-H261 PolarHBondContact OG-CE1 2.84Å; S259-H261 PolarHBondContact OG-NE2 3.38Å; H261-A263 PolarHBondContact O-N 3.29Å
262	D	89.7	Confident	87	Confident	95 Å²	95	59 Å²	59	51%	0.508	32%	0.318	S	S	.	.			trans	-68.2	122.7	175.8	-172.8	-66.4	0	0	0	110.8	Q264 E265 F266	D262-Q264 VanDerWaalsContact C-N 3.35Å; D262-Q264 PolarHBondContact O-N 2.96Å; D262-Q264 WeakPolarHBondContact OD1-CA 3.44Å; D262-Q264 VanDerWaalsContact OD1-CB 3.27Å; D262-Q264 WeakPolarHBondContact OD1-CB 3.49Å; D262-Q264 PolarHBondContact OD1-N 3.18Å; D262-E265 HydrophobicContact CB-CB 3.96Å; D262-E265 PolarHBondContact O-N 3.06Å; D262-E265 PolarHBondContact OD1-N 3.32Å; D262-F266 PolarHBondContact O-N 3.34Å
263	A	89.3	Confident	86.8	Confident	30 Å²	30	59 Å²	59	25%	0.248	32%	0.315	C	S	.	.	H	α-helix	trans	-65.2	-35.4	-178.4	0	0	0	0	0	112.7	I165 H261 F266 L267	I165-A263 HydrophobicContact CD1-CB 4.06Å; I165-A263 WeakPolarHBondContact CD1-O 3.44Å; I165-A263 HydrophobicContact CG1-CB 3.87Å; I165-A263 WeakPolarHBondContact CG1-O 3.31Å; H261-A263 PolarHBondContact O-N 3.29Å; A263-F266 PolarHBondContact O-N 3.17Å; A263-L267 WeakPolarHBondContact O-CB 3.13Å; A263-L267 PolarHBondContact O-N 3.49Å
264	Q	89.9	Confident	86.6	Confident	123 Å²	123	56.3 Å²	56.3	58%	0.575	29%	0.287	S	S	*	.	H	α-helix	trans	-69.3	-39.5	178.3	-175	-83.8	-22.5	0	0	110.6	D262 L267 V268	D262-Q264 VanDerWaalsContact C-N 3.35Å; D262-Q264 PolarHBondContact O-N 2.96Å; D262-Q264 WeakPolarHBondContact OD1-CA 3.44Å; D262-Q264 VanDerWaalsContact OD1-CB 3.27Å; D262-Q264 WeakPolarHBondContact OD1-CB 3.49Å; D262-Q264 PolarHBondContact OD1-N 3.18Å; Q264-L267 WeakPolarHBondContact O-CB 3.31Å; Q264-L267 PolarHBondContact O-N 2.93Å; Q264-V268 VanDerWaalsContact NE2-CG2 3.27Å; Q264-V268 WeakPolarHBondContact O-CG2 3.38Å; Q264-V268 PolarHBondContact O-N 2.85Å
265	E	89.5	Confident	86.3	Confident	60 Å²	60	51.1 Å²	51.1	28%	0.28	27%	0.269	S	S	.	.	H	α-helix	trans	-63	-45.4	174.4	-178.3	161.7	-116.7	0	0	111.8	R254 F255 D262 L267 V268 L269	R254-E265 IonicContact CZ-OE1 3.55Å; R254-E265 IonicContact CZ-OE2 3.98Å; R254-E265 IonicContact NE-OE2 3.99Å; R254-E265 IonicContact NH1-OE1 2.69Å; R254-E265 PolarHBondContact NH1-OE1 3.41Å; R254-E265 IonicContact NH1-OE2 2.77Å; R254-E265 PolarHBondContact NH1-OE2 3.28Å; R254-E265 IonicContact NH2-OE1 3.3Å; R254-E265 PolarHBondContact NH2-OE1 2.91Å; R254-E265 IonicContact NH2-OE2 3.86Å; F255-E265 HydrophobicContact CZ-CG 4.22Å; D262-E265 HydrophobicContact CB-CB 3.96Å; D262-E265 PolarHBondContact O-N 3.06Å; D262-E265 PolarHBondContact OD1-N 3.32Å; E265-L267 VanDerWaalsContact C-N 3.35Å; E265-L267 PolarHBondContact O-N 2.98Å; E265-V268 PolarHBondContact O-N 2.81Å; E265-L269 HydrophobicContact CG-CD1 4.01Å; E265-L269 PolarHBondContact O-N 3.32Å; E265-L269 VanDerWaalsContact O-N 3.14Å
266	F	88.5	Confident	86	Confident	1 Å²	1	56.1 Å²	56.1	0%	0.004	30%	0.296	C	S	.	.	H	α-helix	trans	-58.3	-45.6	173.8	179.4	-99.4	0	0	0	111.8	Y161 M162 I165 I244 V248 F255 D262 A263 V268 L269 L270	Y161-F266 HydrophobicContact CD2-CB 3.96Å; Y161-F266 HydrophobicContact CD2-CD2 4.36Å; Y161-F266 HydrophobicContact CD2-CG 4.04Å; Y161-F266 HydrophobicContact CE2-CB 4.14Å; Y161-F266 AromaticContact CE2-CD2 3.8Å; Y161-F266 HydrophobicContact CE2-CD2 3.8Å; Y161-F266 HydrophobicContact CE2-CE2 4.41Å; Y161-F266 AromaticContact CE2-CG 3.95Å; Y161-F266 HydrophobicContact CE2-CG 3.95Å; M162-F266 HydrophobicContact CB-CD1 4.4Å; M162-F266 HydrophobicContact CB-CE1 3.95Å; M162-F266 HydrophobicContact CB-CE2 4.37Å; M162-F266 HydrophobicContact CB-CZ 3.94Å; M162-F266 HydrophobicContact CG-CE1 3.66Å; M162-F266 HydrophobicContact CG-CE2 4.19Å; M162-F266 HydrophobicContact CG-CZ 3.44Å; M162-F266 VanDerWaalsContact CG-CZ 3.44Å; M162-F266 HydrophobicContact SD-CE2 4.26Å; M162-F266 HydrophobicContact SD-CZ 3.83Å; I165-F266 HydrophobicContact CB-CD1 3.98Å; I165-F266 HydrophobicContact CB-CE1 4.32Å; I165-F266 HydrophobicContact CG1-CD1 4.27Å; I165-F266 HydrophobicContact CG2-CD1 3.84Å; I165-F266 HydrophobicContact CG2-CE1 4.08Å; I244-F266 HydrophobicContact CG2-CZ 4.36Å; V248-F266 HydrophobicContact CB-CE2 4.12Å; V248-F266 HydrophobicContact CG1-CD2 4.02Å; V248-F266 HydrophobicContact CG1-CE2 3.89Å; V248-F266 HydrophobicContact CG2-CE2 3.99Å; V248-F266 HydrophobicContact CG2-CZ 4.42Å; F255-F266 HydrophobicContact CD1-CD2 4.08Å; F255-F266 HydrophobicContact CE1-CB 3.9Å; F255-F266 AromaticContact CE1-CD2 3.85Å; F255-F266 HydrophobicContact CE1-CD2 3.85Å; F255-F266 HydrophobicContact CE1-CG 4.36Å; F255-F266 HydrophobicContact CZ-CB 4.09Å; F255-F266 HydrophobicContact CZ-CD2 4.35Å; D262-F266 PolarHBondContact O-N 3.34Å; A263-F266 PolarHBondContact O-N 3.17Å; F266-V268 PolarHBondContact O-N 3.43Å; F266-L269 PolarHBondContact O-N 3.2Å; F266-L270 HydrophobicContact CE1-CD2 4.07Å; F266-L270 VanDerWaalsContact O-CB 3.27Å; F266-L270 WeakPolarHBondContact O-CB 3.01Å; F266-L270 PolarHBondContact O-N 3.07Å
267	L	90.1	Very high	85.6	Confident	48 Å²	48	52.2 Å²	52.2	25%	0.251	27%	0.274	S	S	.	.	H	α-helix	trans	-57.2	-49.6	177.9	172.4	63.6	0	0	0	112.5	I165 V169 A263 Q264 E265 L269 L270 L271	I165-L267 HydrophobicContact CD1-CB 3.88Å; I165-L267 HydrophobicContact CD1-CD2 4.28Å; I165-L267 HydrophobicContact CG1-CB 4.25Å; I165-L267 HydrophobicContact CG2-CB 3.87Å; I165-L267 HydrophobicContact CG2-CD1 3.76Å; I165-L267 HydrophobicContact CG2-CG 4.4Å; V169-L267 HydrophobicContact CG2-CD1 3.39Å; A263-L267 WeakPolarHBondContact O-CB 3.13Å; A263-L267 PolarHBondContact O-N 3.49Å; Q264-L267 WeakPolarHBondContact O-CB 3.31Å; Q264-L267 PolarHBondContact O-N 2.93Å; E265-L267 VanDerWaalsContact C-N 3.35Å; E265-L267 PolarHBondContact O-N 2.98Å; L267-L269 PolarHBondContact O-N 2.87Å; L267-L270 PolarHBondContact O-N 2.94Å; L267-L271 HydrophobicContact CD1-CD1 3.79Å; L267-L271 HydrophobicContact CD1-CG 3.93Å; L267-L271 HydrophobicContact CG-CD1 4.21Å; L267-L271 WeakPolarHBondContact O-CB 3.47Å; L267-L271 WeakPolarHBondContact O-CG 3.24Å; L267-L271 PolarHBondContact O-N 3.36Å
268	V	88.7	Confident	85	Confident	61 Å²	61	49.1 Å²	49.1	37%	0.37	26%	0.258	S	S	.	.	H	α-helix	trans	-61.7	-46.8	-179	172.5	0	0	0	0	110.5	Q264 E265 F266 L270 L271 D272	Q264-V268 VanDerWaalsContact NE2-CG2 3.27Å; Q264-V268 WeakPolarHBondContact O-CG2 3.38Å; Q264-V268 PolarHBondContact O-N 2.85Å; E265-V268 PolarHBondContact O-N 2.81Å; F266-V268 PolarHBondContact O-N 3.43Å; V268-L270 PolarHBondContact O-N 3.44Å; V268-L271 PolarHBondContact O-N 2.83Å; V268-D272 WeakPolarHBondContact O-CB 3.36Å; V268-D272 PolarHBondContact O-N 2.78Å
269	L	88.1	Confident	84.8	Confident	31 Å²	31	47.8 Å²	47.8	16%	0.162	25%	0.252	C	S	.	.	H	α-helix	trans	-63.6	-39.4	178.7	-81.2	158.4	0	0	0	113.1	V248 A252 F255 E265 F266 L267 Q273	V248-L269 HydrophobicContact CG1-CB 4.5Å; A252-L269 HydrophobicContact CB-CD1 4.07Å; A252-L269 HydrophobicContact CB-CD2 4.17Å; F255-L269 HydrophobicContact CD2-CD1 4.32Å; F255-L269 HydrophobicContact CE2-CD1 3.37Å; F255-L269 HydrophobicContact CZ-CD1 4.02Å; E265-L269 HydrophobicContact CG-CD1 4.01Å; E265-L269 PolarHBondContact O-N 3.32Å; E265-L269 VanDerWaalsContact O-N 3.14Å; F266-L269 PolarHBondContact O-N 3.2Å; L267-L269 PolarHBondContact O-N 2.87Å; L269-Q273 WeakPolarHBondContact O-CB 3.45Å; L269-Q273 VanDerWaalsContact O-CG 3.3Å; L269-Q273 WeakPolarHBondContact O-CG 3.2Å; L269-Q273 PolarHBondContact O-N 3.18Å; L269-Q273 PolarHBondContact O-NE2 3.5Å
270	L	86.6	Confident	84.4	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.016	26%	0.26	C	S	.	.	H	α-helix	trans	-62.8	-49.3	176.2	175.9	65.8	0	0	0	110.7	I165 L166 V248 F266 L267 V268 Q273 L274	I165-L270 HydrophobicContact CG2-CD2 4.26Å; L166-L270 HydrophobicContact CD2-CD2 3.86Å; V248-L270 HydrophobicContact CG2-CD1 4.37Å; F266-L270 HydrophobicContact CE1-CD2 4.07Å; F266-L270 VanDerWaalsContact O-CB 3.27Å; F266-L270 WeakPolarHBondContact O-CB 3.01Å; F266-L270 PolarHBondContact O-N 3.07Å; L267-L270 PolarHBondContact O-N 2.94Å; V268-L270 PolarHBondContact O-N 3.44Å; L270-Q273 PolarHBondContact O-N 3.38Å; L270-L274 HydrophobicContact CD1-CD1 4.16Å; L270-L274 HydrophobicContact CD1-CG 4.38Å; L270-L274 HydrophobicContact CG-CD1 4.13Å; L270-L274 WeakPolarHBondContact O-CB 3.25Å; L270-L274 WeakPolarHBondContact O-CG 3.44Å; L270-L274 PolarHBondContact O-N 3.36Å
271	L	86.7	Confident	83.7	Confident	24 Å²	24	47 Å²	47	13%	0.126	24%	0.242	C	C	.	.	H	α-helix	trans	-65.3	-42.1	-179.7	-70	-177.1	0	0	0	112	V169 F175 L267 V268 L274 A275 V294 F298	V169-L271 HydrophobicContact CG1-CD2 4.47Å; F175-L271 HydrophobicContact CZ-CD2 4.46Å; L267-L271 HydrophobicContact CD1-CD1 3.79Å; L267-L271 HydrophobicContact CD1-CG 3.93Å; L267-L271 HydrophobicContact CG-CD1 4.21Å; L267-L271 WeakPolarHBondContact O-CB 3.47Å; L267-L271 WeakPolarHBondContact O-CG 3.24Å; L267-L271 PolarHBondContact O-N 3.36Å; V268-L271 PolarHBondContact O-N 2.83Å; L271-L274 PolarHBondContact O-N 2.87Å; L271-A275 WeakPolarHBondContact O-CB 3.25Å; L271-A275 PolarHBondContact O-N 2.84Å; L271-V294 HydrophobicContact CB-CG1 3.89Å; L271-V294 HydrophobicContact CD2-CG1 4.18Å; L271-V294 HydrophobicContact CD2-CG2 4.31Å; L271-V294 HydrophobicContact CG-CG1 4.48Å; L271-F298 HydrophobicContact CD1-CD2 4.09Å; L271-F298 HydrophobicContact CD1-CG 4.35Å; L271-F298 HydrophobicContact CD2-CD2 3.84Å; L271-F298 HydrophobicContact CD2-CE2 3.86Å
272	D	84.2	Confident	83	Confident	95 Å²	95	46.7 Å²	46.7	51%	0.508	24%	0.242	S	C	.	.	H	α-helix	trans	-61.5	-45.5	176.3	-80.3	-13.3	0	0	0	111.2	V268 A275 D276	V268-D272 WeakPolarHBondContact O-CB 3.36Å; V268-D272 PolarHBondContact O-N 2.78Å; D272-A275 WeakPolarHBondContact O-CB 3.27Å; D272-A275 PolarHBondContact O-N 3.15Å; D272-D276 PolarHBondContact O-N 3.38Å
273	Q	81.4	Confident	82.4	Confident	13 Å²	13	48.6 Å²	48.6	6%	0.061	25%	0.252	C	S	.	.	H	α-helix	trans	-63.1	-44.4	176.8	-77.4	174.5	65.9	0	0	112.5	K247 T251 L269 L270 A275 D276 E277	K247-Q273 PolarHBondContact O-OE1 3.44Å; T251-Q273 HydrophobicContact CG2-CG 4.13Å; T251-Q273 PolarHBondContact OG1-OE1 3.45Å; L269-Q273 WeakPolarHBondContact O-CB 3.45Å; L269-Q273 VanDerWaalsContact O-CG 3.3Å; L269-Q273 WeakPolarHBondContact O-CG 3.2Å; L269-Q273 PolarHBondContact O-N 3.18Å; L269-Q273 PolarHBondContact O-NE2 3.5Å; L270-Q273 PolarHBondContact O-N 3.38Å; Q273-A275 VanDerWaalsContact C-N 3.28Å; Q273-A275 PolarHBondContact O-N 2.85Å; Q273-D276 PolarHBondContact O-N 2.94Å; Q273-E277 WeakPolarHBondContact O-CB 3.31Å; Q273-E277 WeakPolarHBondContact O-CG 3.43Å; Q273-E277 PolarHBondContact O-N 2.76Å
274	L	81.8	Confident	81.4	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-37.5	175.9	-73.6	174.1	0	0	0	111.6	F175 L179 L195 L270 L271 V278 V294	F175-L274 HydrophobicContact CZ-CD1 4.23Å; L179-L274 HydrophobicContact CD1-CD2 4.49Å; L195-L274 HydrophobicContact CD1-CD2 4.36Å; L270-L274 HydrophobicContact CD1-CD1 4.16Å; L270-L274 HydrophobicContact CD1-CG 4.38Å; L270-L274 HydrophobicContact CG-CD1 4.13Å; L270-L274 WeakPolarHBondContact O-CB 3.25Å; L270-L274 WeakPolarHBondContact O-CG 3.44Å; L270-L274 PolarHBondContact O-N 3.36Å; L271-L274 PolarHBondContact O-N 2.87Å; L274-V278 WeakPolarHBondContact O-CG2 3.35Å; L274-V278 PolarHBondContact O-N 2.94Å; L274-V294 HydrophobicContact CB-CG2 3.72Å
275	A	81.3	Confident	80.3	Confident	8 Å²	8	46.4 Å²	46.4	7%	0.066	25%	0.248	C	C	.	.	H	α-helix	trans	-65.5	-47	176.9	0	0	0	0	0	111.4	L271 D272 Q273 V278 E279 N292 V294	L271-A275 WeakPolarHBondContact O-CB 3.25Å; L271-A275 PolarHBondContact O-N 2.84Å; D272-A275 WeakPolarHBondContact O-CB 3.27Å; D272-A275 PolarHBondContact O-N 3.15Å; Q273-A275 VanDerWaalsContact C-N 3.28Å; Q273-A275 PolarHBondContact O-N 2.85Å; A275-V278 PolarHBondContact O-N 2.87Å; A275-E279 PolarHBondContact O-N 2.81Å; A275-N292 WeakPolarHBondContact CA-ND2 3.25Å; A275-N292 PolarHBondContact O-ND2 3.04Å; A275-V294 HydrophobicContact CB-CB 4.01Å; A275-V294 HydrophobicContact CB-CG1 4.12Å; A275-V294 HydrophobicContact CB-CG2 4.33Å
276	D	80.5	Confident	79	Confident	105 Å²	105	49.9 Å²	49.9	56%	0.561	28%	0.279	S	S	*	.	H	α-helix	trans	-64.3	-40.4	179.1	-75.3	-9.5	0	0	0	111.8	D272 Q273 E279 H280	D272-D276 PolarHBondContact O-N 3.38Å; Q273-D276 PolarHBondContact O-N 2.94Å; D276-E279 PolarHBondContact O-N 2.76Å; D276-H280 WeakPolarHBondContact O-CB 3.19Å; D276-H280 PolarHBondContact O-N 3.09Å
277	E	76.8	Confident	77.4	Confident	28 Å²	28	55.7 Å²	55.7	13%	0.131	31%	0.306	C	S	.	.	H	α-helix	trans	-63.5	-44.1	177.3	-76.2	-165	-177.2	0	0	111.9	S194 L195 K247 Q273 E279 H280 L281	S194-E277 PolarHBondContact OG-OE2 2.94Å; L195-E277 PolarHBondContact N-OE1 2.94Å; L195-E277 PolarHBondContact N-OE2 3.09Å; K247-E277 WeakPolarHBondContact CE-OE1 2.74Å; K247-E277 IonicContact NZ-OE1 2.74Å; Q273-E277 WeakPolarHBondContact O-CB 3.31Å; Q273-E277 WeakPolarHBondContact O-CG 3.43Å; Q273-E277 PolarHBondContact O-N 2.76Å; E277-E279 VanDerWaalsContact C-N 3.32Å; E277-E279 PolarHBondContact O-N 2.84Å; E277-H280 PolarHBondContact O-N 3.27Å; E277-L281 VanDerWaalsContact O-CG 3.32Å; E277-L281 WeakPolarHBondContact O-CG 3.19Å; E277-L281 PolarHBondContact O-N 2.84Å
278	V	73.1	Confident	75.7	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.012	33%	0.333	C	S	.	.	H	α-helix	trans	-67.2	-35.2	177.3	176.2	0	0	0	0	111.4	L274 A275 L281 N282 N292 P293	L274-V278 WeakPolarHBondContact O-CG2 3.35Å; L274-V278 PolarHBondContact O-N 2.94Å; A275-V278 PolarHBondContact O-N 2.87Å; V278-L281 PolarHBondContact O-N 2.92Å; V278-N282 PolarHBondContact O-N 3.37Å; V278-N282 VanDerWaalsContact O-N 3.09Å; V278-N282 PolarHBondContact O-ND2 3.01Å; V278-N292 HydrophobicContact CG1-CB 4.37Å; V278-P293 HydrophobicContact CG2-CG 4.36Å
279	E	80.1	Confident	74.6	Confident	107 Å²	107	61 Å²	61	50%	0.5	34%	0.336	S	S	.	.	H	α-helix	trans	-65.3	-43.8	173.5	-173.8	164.3	-161.5	0	0	111.6	A275 D276 E277 L281 N282 L283	A275-E279 PolarHBondContact O-N 2.81Å; D276-E279 PolarHBondContact O-N 2.76Å; E277-E279 VanDerWaalsContact C-N 3.32Å; E277-E279 PolarHBondContact O-N 2.84Å; E279-L281 VanDerWaalsContact C-N 3.34Å; E279-L281 PolarHBondContact O-N 2.79Å; E279-N282 PolarHBondContact O-N 2.91Å; E279-N282 VanDerWaalsContact O-N 3.12Å; E279-L283 HydrophobicContact CG-CD1 4.37Å; E279-L283 WeakPolarHBondContact O-CG 3.18Å; E279-L283 PolarHBondContact O-N 2.82Å
280	H	74.3	Confident	73.6	Confident	111 Å²	111	60.6 Å²	60.6	51%	0.514	33%	0.334	S	S	.	.	H	α-helix	trans	-61.9	-39.3	175.8	-171.4	-78.1	0	0	0	112.4	D276 E277 N282 L283 S284	D276-H280 WeakPolarHBondContact O-CB 3.19Å; D276-H280 PolarHBondContact O-N 3.09Å; E277-H280 PolarHBondContact O-N 3.27Å; H280-N282 VanDerWaalsContact C-N 3.31Å; H280-N282 PolarHBondContact O-N 3.44Å; H280-L283 PolarHBondContact O-N 2.91Å; H280-S284 PolarHBondContact O-N 3.37Å; H280-S284 VanDerWaalsContact O-N 3.12Å; H280-S284 PolarHBondContact O-OG 3.03Å
281	L	70.1	Confident	73.3	Confident	2 Å²	2	66.3 Å²	66.3	1%	0.01	36%	0.364	C	S	.	.	H	α-helix	trans	-64.2	-34.6	173.6	-69.6	175.1	0	0	0	112.8	N186 S189 I190 L196 E277 V278 E279 S284	N186-L281 HydrophobicContact CB-CD1 4.27Å; S189-L281 WeakPolarHBondContact O-CD2 3.13Å; I190-L281 HydrophobicContact CB-CD2 4.48Å; I190-L281 HydrophobicContact CG1-CD2 4.25Å; L196-L281 HydrophobicContact CD1-CD1 4.15Å; E277-L281 VanDerWaalsContact O-CG 3.32Å; E277-L281 WeakPolarHBondContact O-CG 3.19Å; E277-L281 PolarHBondContact O-N 2.84Å; V278-L281 PolarHBondContact O-N 2.92Å; E279-L281 VanDerWaalsContact C-N 3.34Å; E279-L281 PolarHBondContact O-N 2.79Å; L281-S284 PolarHBondContact O-OG 3Å; L281-S284 VanDerWaalsContact O-OG 3.05Å
282	N	72.4	Confident	73.2	Confident	30 Å²	30	66 Å²	66	16%	0.16	36%	0.363	C	S	.	.	H	α-helix	trans	-73.5	-36.9	176	-81.2	-40.1	0	0	0	112.2	V278 E279 H280 S285 I290	V278-N282 PolarHBondContact O-N 3.37Å; V278-N282 VanDerWaalsContact O-N 3.09Å; V278-N282 PolarHBondContact O-ND2 3.01Å; E279-N282 PolarHBondContact O-N 2.91Å; E279-N282 VanDerWaalsContact O-N 3.12Å; H280-N282 VanDerWaalsContact C-N 3.31Å; H280-N282 PolarHBondContact O-N 3.44Å; N282-S285 PolarHBondContact O-N 3.47Å; N282-I290 PolarHBondContact ND2-O 2.8Å; N282-I290 PolarHBondContact OD1-N 2.95Å
283	L	77.1	Confident	73	Confident	136 Å²	136	61.5 Å²	61.5	71%	0.712	34%	0.339	S	S	*	.	H	α-helix	trans	-68.6	-32.7	177.5	-70.9	171.5	0	0	0	112.9	E279 H280 S285	E279-L283 HydrophobicContact CG-CD1 4.37Å; E279-L283 WeakPolarHBondContact O-CG 3.18Å; E279-L283 PolarHBondContact O-N 2.82Å; H280-L283 PolarHBondContact O-N 2.91Å; L283-S285 PolarHBondContact O-N 2.86Å
284	S	69.2	Low	73.1	Confident	70 Å²	70	61.4 Å²	61.4	49%	0.49	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-11.8	176.4	64.6	0	0	0	0	113.4	H280 L281	H280-S284 PolarHBondContact O-N 3.37Å; H280-S284 VanDerWaalsContact O-N 3.12Å; H280-S284 PolarHBondContact O-OG 3.03Å; L281-S284 PolarHBondContact O-OG 3Å; L281-S284 VanDerWaalsContact O-OG 3.05Å
285	S	66	Low	73.4	Confident	37 Å²	37	65.7 Å²	65.7	26%	0.259	36%	0.361	S	S	.	.	S	Bend	trans	-96.9	140.1	178.5	-170.7	0	0	0	0	111.8	N282 L283 Q287	N282-S285 PolarHBondContact O-N 3.47Å; L283-S285 PolarHBondContact O-N 2.86Å; S285-Q287 PolarHBondContact O-N 2.79Å; S285-Q287 VanDerWaalsContact O-N 3.09Å; S285-Q287 PolarHBondContact OG-O 3.14Å
286	S	62.3	Low	73.6	Confident	133 Å²	133	72.3 Å²	72.3	93%	0.93	38%	0.384	S	S	*	.	S	Bend	trans	-69.1	-5.5	-179.1	-48.2	0	0	0	0	114.3
287	Q	54.3	Low	73.8	Confident	123 Å²	123	69.8 Å²	69.8	58%	0.575	37%	0.371	S	S	*	.	S	Bend	trans	-139.8	142.7	173.1	-73.7	-177	-15.6	0	0	108.8	S285 Q289	S285-Q287 PolarHBondContact O-N 2.79Å; S285-Q287 VanDerWaalsContact O-N 3.09Å; S285-Q287 PolarHBondContact OG-O 3.14Å; Q287-Q289 HydrophobicContact CB-CG 4.47Å; Q287-Q289 WeakPolarHBondContact O-CG 3.42Å; Q287-Q289 PolarHBondContact O-N 2.67Å
288	P	55.6	Low	74.4	Confident	124 Å²	124	71.4 Å²	71.4	81%	0.805	38%	0.377	S	S	*	.			trans	-67.9	101.2	171.3	27.1	-31.5	0	0	0	108.9
289	Q	65.6	Low	74.9	Confident	95 Å²	95	74.2 Å²	74.2	44%	0.444	40%	0.401	S	S	.	.			trans	-91.5	-25.3	-170.2	-68.5	-60.4	-8.3	0	0	113.4	Q287	Q287-Q289 HydrophobicContact CB-CG 4.47Å; Q287-Q289 WeakPolarHBondContact O-CG 3.42Å; Q287-Q289 PolarHBondContact O-N 2.67Å
290	I	66.7	Low	74.8	Confident	24 Å²	24	76.9 Å²	76.9	12%	0.123	41%	0.412	C	S	.	.			trans	-139.5	127.5	-165.4	-44.7	-168.9	0	0	0	111.9	A182 K185 N186 N282	A182-I290 HydrophobicContact CB-CD1 4.32Å; A182-I290 HydrophobicContact CB-CG2 3.73Å; A182-I290 WeakPolarHBondContact O-CD1 3.46Å; K185-I290 HydrophobicContact CB-CD1 3.71Å; K185-I290 HydrophobicContact CD-CD1 4.1Å; K185-I290 HydrophobicContact CD-CG1 4.47Å; N186-I290 WeakPolarHBondContact ND2-CD1 3.4Å; N282-I290 PolarHBondContact ND2-O 2.8Å; N282-I290 PolarHBondContact OD1-N 2.95Å
291	L	80.7	Confident	74.5	Confident	122 Å²	122	76.7 Å²	76.7	64%	0.639	42%	0.423	S	S	*	.			trans	-64.9	132.8	169.2	-66.8	171.3	0	0	0	109.3	P293	L291-P293 VanDerWaalsContact O-CD 3.32Å; L291-P293 WeakPolarHBondContact O-CD 3.36Å; L291-P293 VanDerWaalsContact O-N 3.14Å
292	N	83.3	Confident	74	Confident	19 Å²	19	83.4 Å²	83.4	10%	0.102	46%	0.457	C	S	.	.			trans	-62.9	114.9	178.3	-174.6	-41.1	0	0	0	109.8	A275 V278 V294 L295 R296	A275-N292 WeakPolarHBondContact CA-ND2 3.25Å; A275-N292 PolarHBondContact O-ND2 3.04Å; V278-N292 HydrophobicContact CG1-CB 4.37Å; N292-V294 VanDerWaalsContact C-N 3.31Å; N292-V294 PolarHBondContact O-N 3.48Å; N292-V294 WeakPolarHBondContact OD1-CB 3.48Å; N292-V294 PolarHBondContact OD1-N 3.04Å; N292-L295 HydrophobicContact CB-CB 4.11Å; N292-L295 HydrophobicContact CB-CD1 3.98Å; N292-L295 HydrophobicContact CB-CG 4.06Å; N292-L295 PolarHBondContact O-N 3.42Å; N292-L295 PolarHBondContact OD1-N 2.98Å; N292-R296 VanDerWaalsContact O-CB 3.31Å; N292-R296 WeakPolarHBondContact O-CB 3.48Å; N292-R296 PolarHBondContact O-N 3.44Å
293	P	79.8	Confident	73	Confident	0 Å²	0	87.1 Å²	87.1	0%	0	48%	0.484	C	S	.	.	H	α-helix	trans	-65.4	-35.1	-175.1	26.8	-33.9	0	0	0	111.6	F175 E178 L179 V278 L291 N297	F175-P293 HydrophobicContact CD2-CB 4.16Å; F175-P293 HydrophobicContact CE2-CB 4.12Å; F175-P293 HydrophobicContact CE2-CG 4.49Å; E178-P293 HydrophobicContact CB-CB 3.84Å; L179-P293 HydrophobicContact CB-CG 4.41Å; L179-P293 HydrophobicContact CD1-CG 4.08Å; V278-P293 HydrophobicContact CG2-CG 4.36Å; L291-P293 VanDerWaalsContact O-CD 3.32Å; L291-P293 WeakPolarHBondContact O-CD 3.36Å; L291-P293 VanDerWaalsContact O-N 3.14Å; P293-N297 WeakPolarHBondContact O-CB 3.32Å; P293-N297 PolarHBondContact O-N 3.35Å; P293-N297 PolarHBondContact O-ND2 2.8Å
294	V	84.6	Confident	71.8	Confident	10 Å²	10	87.8 Å²	87.8	6%	0.061	48%	0.483	C	S	.	.	H	α-helix	trans	-63.8	-53.1	177.2	177.2	0	0	0	0	109.8	F175 L271 L274 A275 N292 R296 N297 F298	F175-V294 HydrophobicContact CE2-CG2 3.85Å; F175-V294 HydrophobicContact CZ-CG2 4.31Å; L271-V294 HydrophobicContact CB-CG1 3.89Å; L271-V294 HydrophobicContact CD2-CG1 4.18Å; L271-V294 HydrophobicContact CD2-CG2 4.31Å; L271-V294 HydrophobicContact CG-CG1 4.48Å; L274-V294 HydrophobicContact CB-CG2 3.72Å; A275-V294 HydrophobicContact CB-CB 4.01Å; A275-V294 HydrophobicContact CB-CG1 4.12Å; A275-V294 HydrophobicContact CB-CG2 4.33Å; N292-V294 VanDerWaalsContact C-N 3.31Å; N292-V294 PolarHBondContact O-N 3.48Å; N292-V294 WeakPolarHBondContact OD1-CB 3.48Å; N292-V294 PolarHBondContact OD1-N 3.04Å; V294-R296 VanDerWaalsContact C-N 3.3Å; V294-R296 PolarHBondContact O-N 3.03Å; V294-N297 PolarHBondContact O-N 3.34Å; V294-F298 HydrophobicContact CG1-CD2 4.37Å; V294-F298 WeakPolarHBondContact O-CA 3.04Å; V294-F298 WeakPolarHBondContact O-CB 3.43Å; V294-F298 PolarHBondContact O-N 2.9Å
295	L	88.1	Confident	71	Confident	94 Å²	94	89.9 Å²	89.9	49%	0.492	48%	0.481	S	S	.	.	H	α-helix	trans	-63.1	-39.5	-179.1	-62.2	179.5	0	0	0	111.8	N292 A299	N292-L295 HydrophobicContact CB-CB 4.11Å; N292-L295 HydrophobicContact CB-CD1 3.98Å; N292-L295 HydrophobicContact CB-CG 4.06Å; N292-L295 PolarHBondContact O-N 3.42Å; N292-L295 PolarHBondContact OD1-N 2.98Å; L295-A299 HydrophobicContact CB-CB 4.14Å; L295-A299 HydrophobicContact CD2-CB 3.87Å; L295-A299 WeakPolarHBondContact O-CA 3.39Å; L295-A299 WeakPolarHBondContact O-CB 3.33Å; L295-A299 PolarHBondContact O-N 3Å
296	R	86.1	Confident	70.2	Confident	147 Å²	147	96 Å²	96	56%	0.555	51%	0.51	S	S	*	.	H	α-helix	trans	-69.8	-35.8	-178.1	-177.9	170	167.5	-140.3	-22.2	113.4	E178 N292 V294	E178-R296 IonicContact OE1-CZ 2.79Å; E178-R296 IonicContact OE1-NE 2.69Å; E178-R296 IonicContact OE1-NH1 3.81Å; E178-R296 PolarHBondContact OE1-NH1 3.14Å; E178-R296 IonicContact OE1-NH2 2.93Å; E178-R296 PolarHBondContact OE1-NH2 2.99Å; E178-R296 WeakPolarHBondContact OE2-CD 3.42Å; E178-R296 IonicContact OE2-CZ 3.47Å; E178-R296 IonicContact OE2-NE 3.96Å; E178-R296 IonicContact OE2-NH1 2.67Å; E178-R296 PolarHBondContact OE2-NH1 3.48Å; N292-R296 VanDerWaalsContact O-CB 3.31Å; N292-R296 WeakPolarHBondContact O-CB 3.48Å; N292-R296 PolarHBondContact O-N 3.44Å; V294-R296 VanDerWaalsContact C-N 3.3Å; V294-R296 PolarHBondContact O-N 3.03Å
297	N	84.6	Confident	69.6	Low	51 Å²	51	96.1 Å²	96.1	27%	0.273	49%	0.494	S	S	.	.	H	α-helix	trans	-93.2	-30.2	-176.3	-69.3	-87.4	0	0	0	112.5	P174 F175 E178 P293 V294	P174-N297 WeakPolarHBondContact CB-OD1 3.46Å; F175-N297 HydrophobicContact CB-CB 4.05Å; F175-N297 HydrophobicContact CD2-CB 4.15Å; F175-N297 PolarHBondContact N-OD1 3.46Å; E178-N297 PolarHBondContact OE2-ND2 3.17Å; P293-N297 WeakPolarHBondContact O-CB 3.32Å; P293-N297 PolarHBondContact O-N 3.35Å; P293-N297 PolarHBondContact O-ND2 2.8Å; V294-N297 PolarHBondContact O-N 3.34Å
298	F	87.9	Confident	69.4	Low	62 Å²	62	94.8 Å²	94.8	27%	0.272	50%	0.497	S	S	.	.	H	α-helix	trans	-124.6	-14.2	-170.4	-54.5	-59.3	0	0	0	114.9	Q172 F175 L271 V294 F300	Q172-F298 HydrophobicContact CB-CZ 4.48Å; Q172-F298 HydrophobicContact CG-CE1 4.33Å; Q172-F298 HydrophobicContact CG-CZ 4.26Å; F175-F298 HydrophobicContact CB-CE2 4.14Å; F175-F298 HydrophobicContact CB-CZ 3.99Å; F175-F298 HydrophobicContact CD1-CE2 4.01Å; F175-F298 HydrophobicContact CD1-CZ 4.2Å; F175-F298 HydrophobicContact CD2-CD2 4.06Å; F175-F298 AromaticContact CD2-CE2 3.33Å; F175-F298 HydrophobicContact CD2-CE2 3.33Å; F175-F298 HydrophobicContact CD2-CZ 4.06Å; F175-F298 HydrophobicContact CE1-CE2 4.27Å; F175-F298 HydrophobicContact CE2-CD2 4.21Å; F175-F298 AromaticContact CE2-CE2 3.62Å; F175-F298 HydrophobicContact CE2-CE2 3.62Å; F175-F298 AromaticContact CG-CE2 3.53Å; F175-F298 HydrophobicContact CG-CE2 3.53Å; F175-F298 AromaticContact CG-CZ 3.8Å; F175-F298 HydrophobicContact CG-CZ 3.8Å; F175-F298 HydrophobicContact CZ-CE2 4.07Å; L271-F298 HydrophobicContact CD1-CD2 4.09Å; L271-F298 HydrophobicContact CD1-CG 4.35Å; L271-F298 HydrophobicContact CD2-CD2 3.84Å; L271-F298 HydrophobicContact CD2-CE2 3.86Å; V294-F298 HydrophobicContact CG1-CD2 4.37Å; V294-F298 WeakPolarHBondContact O-CA 3.04Å; V294-F298 WeakPolarHBondContact O-CB 3.43Å; V294-F298 PolarHBondContact O-N 2.9Å; F298-F300 WeakPolarHBondContact O-CD1 3.49Å; F298-F300 WeakPolarHBondContact O-CE1 3.38Å; F298-F300 PolarHBondContact O-N 3.35Å
299	A	83.6	Confident	69.6	Low	62 Å²	62	93.3 Å²	93.3	51%	0.512	48%	0.478	S	S	.	.			trans	-85.3	113.3	173.6	0	0	0	0	0	110.6	L295	L295-A299 HydrophobicContact CB-CB 4.14Å; L295-A299 HydrophobicContact CD2-CB 3.87Å; L295-A299 WeakPolarHBondContact O-CA 3.39Å; L295-A299 WeakPolarHBondContact O-CB 3.33Å; L295-A299 PolarHBondContact O-N 3Å
300	F	77.9	Confident	70.1	Confident	163 Å²	163	91.5 Å²	91.5	72%	0.715	47%	0.47	S	S	*	.			trans	-136.3	154.6	173	55.4	-87	0	0	0	109.7	F298 I302	F298-F300 WeakPolarHBondContact O-CD1 3.49Å; F298-F300 WeakPolarHBondContact O-CE1 3.38Å; F298-F300 PolarHBondContact O-N 3.35Å; F300-I302 HydrophobicContact CD2-CG1 4.28Å; F300-I302 HydrophobicContact CE2-CG1 3.91Å
301	S	68.7	Low	71	Confident	107 Å²	107	94.1 Å²	94.1	75%	0.748	48%	0.483	S	S	*	.			trans	-88.5	127.4	163.8	-63	0	0	0	0	107.6	C303	S301-C303 PolarHBondContact O-N 2.81Å
302	I	59.3	Low	71.4	Confident	143 Å²	143	89.9 Å²	89.9	73%	0.733	46%	0.461	S	S	*	.			trans	-62.4	108.8	175.6	-60.8	171.2	0	0	0	107.8	F300	F300-I302 HydrophobicContact CD2-CG1 4.28Å; F300-I302 HydrophobicContact CE2-CG1 3.91Å
303	C	52.6	Low	71.7	Confident	108 Å²	108	93.7 Å²	93.7	73%	0.73	48%	0.48	S	S	*	.			trans	-117.6	97.7	169.6	-79.6	0	0	0	0	106.5	S301	S301-C303 PolarHBondContact O-N 2.81Å
304	H	50.7	Low	72.2	Confident	150 Å²	150	96.5 Å²	96.5	69%	0.694	50%	0.495	S	S	*	.	S	Bend	trans	76.1	135.4	-179.2	-150.9	74.1	0	0	0	115.6
305	Y	53.1	Low	72.5	Confident	114 Å²	114	102.1 Å²	102.1	45%	0.447	52%	0.52	S	S	.	.			trans	-80.9	128.9	178	54.5	-83.1	0	0	0	109.1	D13	D13-Y305 HydrophobicContact CB-CD2 4.49Å; D13-Y305 HydrophobicContact CB-CE2 4.2Å
306	L	48.3	Very low	72.5	Confident	165 Å²	165	99.3 Å²	99.3	86%	0.864	51%	0.507	S	S	*	.			trans	-81.8	120.2	168	-73.6	167.3	0	0	0	107.9	C308	L306-C308 PolarHBondContact O-N 2.78Å
307	K	51.3	Low	72.5	Confident	135 Å²	135	98.1 Å²	98.1	59%	0.587	51%	0.506	S	S	*	.			trans	-79	102.8	172.7	-166.6	172.8	172.1	167.3	0	107.4	K309	K307-K309 HydrophobicContact CB-CG 4.28Å; K307-K309 HydrophobicContact CD-CD 4.1Å; K307-K309 HydrophobicContact CD-CG 3.65Å; K307-K309 HydrophobicContact CG-CG 3.55Å; K307-K309 PolarHBondContact O-N 2.75Å
308	C	50	Low	72.6	Confident	96 Å²	96	95.8 Å²	95.8	65%	0.649	49%	0.493	S	S	*	.			trans	-69.5	63.3	169.8	-63.5	0	0	0	0	110.4	L306 E310	L306-C308 PolarHBondContact O-N 2.78Å; C308-E310 PolarHBondContact O-N 2.6Å; C308-E310 VanDerWaalsContact O-N 3.15Å
309	K	59.2	Low	72.6	Confident	93 Å²	93	94.5 Å²	94.5	40%	0.404	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.7	175.1	-70	-164.2	-176.2	179.8	0	112.4	K307	K307-K309 HydrophobicContact CB-CG 4.28Å; K307-K309 HydrophobicContact CD-CD 4.1Å; K307-K309 HydrophobicContact CD-CG 3.65Å; K307-K309 HydrophobicContact CG-CG 3.55Å; K307-K309 PolarHBondContact O-N 2.75Å
310	E	76.6	Confident	72.7	Confident	57 Å²	57	96.4 Å²	96.4	27%	0.266	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	0.3	-163.6	-65.1	159.7	-175.9	0	0	112.8	C308 V563 D564 L567	C308-E310 PolarHBondContact O-N 2.6Å; C308-E310 VanDerWaalsContact O-N 3.15Å; E310-V563 CarbonylContact O-C 3.16Å; E310-V563 WeakPolarHBondContact O-CA 3.49Å; E310-D564 HydrophobicContact CB-CB 3.95Å; E310-D564 HydrophobicContact CG-CB 4.23Å; E310-D564 PolarHBondContact O-N 3.3Å; E310-L567 HydrophobicContact CB-CD2 4.1Å; E310-L567 WeakPolarHBondContact OE2-CD1 3.42Å
311	I	86	Confident	73.1	Confident	78 Å²	78	94.9 Å²	94.9	40%	0.4	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	113.8	175.2	-53.2	178	0	0	0	108.6	I313 F561 Y562 V563	I311-I313 HydrophobicContact CG2-CG1 4.12Å; I311-F561 HydrophobicContact CG2-CD1 4.48Å; I311-Y562 CarbonylContact C-O 3.54Å; I311-Y562 VanDerWaalsContact CA-O 3.29Å; I311-Y562 WeakPolarHBondContact CA-O 3.43Å; I311-V563 HydrophobicContact CG1-CG2 4.48Å
312	L	87.5	Confident	73.8	Confident	34 Å²	34	92.1 Å²	92.1	18%	0.178	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	123.2	170.8	173.6	66.5	0	0	0	108.7	L314 L341 L343 F503 Y562	L312-L314 HydrophobicContact CD1-CD2 3.96Å; L312-L314 HydrophobicContact CD2-CD2 4.14Å; L312-L314 HydrophobicContact CD2-CG 4.44Å; L312-L314 HydrophobicContact CG-CD2 3.98Å; L312-L314 HydrophobicContact CG-CG 4.27Å; L312-L341 HydrophobicContact CD2-CD2 3.7Å; L312-L343 HydrophobicContact CD1-CD1 4.23Å; L312-L343 HydrophobicContact CD2-CD1 4.06Å; L312-L343 HydrophobicContact CD2-CD2 4.13Å; L312-L343 HydrophobicContact CD2-CG 4.25Å; L312-F503 HydrophobicContact CB-CD1 3.88Å; L312-F503 HydrophobicContact CB-CE1 4.12Å; L312-F503 HydrophobicContact CB-CG 4.2Å; L312-F503 HydrophobicContact CD2-CD2 4.37Å; L312-F503 HydrophobicContact CD2-CG 4.47Å; L312-Y562 PolarHBondContact N-O 2.77Å; L312-Y562 PolarHBondContact O-N 2.74Å
313	I	90.5	Very high	75.1	Confident	98 Å²	98	92.9 Å²	92.9	50%	0.503	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	113.2	176.7	-54.2	176.5	0	0	0	107.7	I311 I559 F560 F561	I311-I313 HydrophobicContact CG2-CG1 4.12Å; I313-I559 HydrophobicContact CG2-CG2 3.57Å; I313-F560 WeakPolarHBondContact CA-O 3.36Å; I313-F561 HydrophobicContact CD1-CD1 4.17Å; I313-F561 HydrophobicContact CD1-CE1 3.87Å; I313-F561 HydrophobicContact CG1-CD1 3.86Å; I313-F561 HydrophobicContact CG1-CE1 4Å; I313-F561 HydrophobicContact CG2-CD1 4.46Å; I313-F561 HydrophobicContact CG2-CE1 4.21Å
314	L	90	Very high	76.8	Confident	60 Å²	60	96.5 Å²	96.5	31%	0.314	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	120.9	174.1	-56.9	179.5	0	0	0	109.2	L312 L341 I559 F560 Y562	L312-L314 HydrophobicContact CD1-CD2 3.96Å; L312-L314 HydrophobicContact CD2-CD2 4.14Å; L312-L314 HydrophobicContact CD2-CG 4.44Å; L312-L314 HydrophobicContact CG-CD2 3.98Å; L312-L314 HydrophobicContact CG-CG 4.27Å; L314-L341 HydrophobicContact CD1-CD2 3.69Å; L314-I559 WeakPolarHBondContact O-CA 3.18Å; L314-F560 HydrophobicContact CB-CB 4.23Å; L314-F560 HydrophobicContact CB-CD2 4.49Å; L314-F560 PolarHBondContact N-O 3.37Å; L314-F560 PolarHBondContact O-N 2.91Å; L314-Y562 HydrophobicContact CD1-CD2 4.17Å; L314-Y562 HydrophobicContact CD1-CE2 3.84Å; L314-Y562 HydrophobicContact CG-CD2 4.43Å
315	H	89.7	Confident	78.4	Confident	128 Å²	128	92.1 Å²	92.1	59%	0.593	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	116.3	174.4	-178.7	-133.3	0	0	0	109.6	Y558	H315-Y558 WeakPolarHBondContact CA-O 3.37Å
316	V	89.6	Confident	79.9	Confident	35 Å²	35	94.3 Å²	94.3	21%	0.212	46%	0.456	C	S	.	.			trans	-99	109.7	-179	-177.1	0	0	0	0	108.9	R318 I335 Y558 F560	V316-R318 HydrophobicContact CG1-CG 3.93Å; V316-R318 PolarHBondContact O-N 3.29Å; V316-R318 VanDerWaalsContact O-N 3.15Å; V316-I335 HydrophobicContact CB-CD1 4.46Å; V316-I335 HydrophobicContact CG1-CD1 4.24Å; V316-I335 HydrophobicContact CG2-CD1 3.77Å; V316-Y558 PolarHBondContact N-O 3.41Å; V316-F560 HydrophobicContact CB-CE2 4.42Å; V316-F560 HydrophobicContact CG2-CD2 4Å; V316-F560 HydrophobicContact CG2-CE2 3.65Å
317	K	86	Confident	81.6	Confident	121 Å²	121	93 Å²	93	53%	0.526	45%	0.445	S	S	.	.			trans	-75.8	102.9	176.4	-174	178.5	178.6	-179.5	0	109.9	V5	V5-K317 WeakPolarHBondContact O-CD 3.45Å; V5-K317 PolarHBondContact O-NZ 3.41Å
318	R	87.2	Confident	83.2	Confident	2 Å²	2	88.9 Å²	88.9	1%	0.008	43%	0.433	C	S	.	.			trans	-99.5	-9.5	179.4	-64.7	-173.3	-179.8	-89.5	1.7	115	V316 K330 A331 N333 I335 E554 K555 G557 Y558	V316-R318 HydrophobicContact CG1-CG 3.93Å; V316-R318 PolarHBondContact O-N 3.29Å; V316-R318 VanDerWaalsContact O-N 3.15Å; R318-K330 CarbonylContact O-C 3.51Å; R318-K330 WeakPolarHBondContact O-CA 3.39Å; R318-A331 HydrophobicContact CB-CB 4.44Å; R318-A331 VanDerWaalsContact O-CB 3.32Å; R318-A331 WeakPolarHBondContact O-CB 3.4Å; R318-A331 PolarHBondContact O-N 3.19Å; R318-N333 PolarHBondContact NH1-O 2.75Å; R318-I335 VanDerWaalsContact NH2-CD1 3.33Å; R318-E554 PolarHBondContact NH2-O 3.15Å; R318-K555 PolarHBondContact NH1-O 2.93Å; R318-K555 VanDerWaalsContact NH1-O 3.16Å; R318-G557 PolarHBondContact NE-O 3.39Å; R318-G557 PolarHBondContact NH2-O 3.16Å; R318-G557 VanDerWaalsContact NH2-O 3.1Å; R318-Y558 HydrophobicContact CB-CE1 3.81Å; R318-Y558 HydrophobicContact CB-CE2 4.28Å; R318-Y558 WeakPolarHBondContact CB-OH 3.47Å; R318-Y558 HydrophobicContact CG-CE1 4.27Å; R318-Y558 HydrophobicContact CG-CE2 4.32Å
319	Y	86.3	Confident	84.9	Confident	36 Å²	36	89.8 Å²	89.8	14%	0.141	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	131.4	175.5	-67.8	-77.3	0	0	0	111.3	E329 K330 H511 S515 S516 Y558	Y319-E329 WeakPolarHBondContact CA-O 3.24Å; Y319-K330 HydrophobicContact CD1-CB 4Å; Y319-K330 HydrophobicContact CD1-CG 4.38Å; Y319-K330 HydrophobicContact CE1-CB 3.55Å; Y319-K330 HydrophobicContact CE1-CD 4.21Å; Y319-K330 HydrophobicContact CE1-CG 3.82Å; Y319-H511 AromaticContact CZ-ND1 3.94Å; Y319-H511 PolarHBondContact OH-CE1 2.99Å; Y319-H511 PolarHBondContact OH-ND1 3.03Å; Y319-S515 VanDerWaalsContact CZ-C 3.49Å; Y319-S515 PolarHBondContact OH-O 3.06Å; Y319-S516 VanDerWaalsContact CE1-N 3.32Å; Y319-Y558 AromaticContact CD2-CE1 3.94Å; Y319-Y558 HydrophobicContact CD2-CE1 3.94Å; Y319-Y558 WeakPolarHBondContact CD2-OH 3.47Å; Y319-Y558 AromaticContact CE2-CE1 3.82Å; Y319-Y558 HydrophobicContact CE2-CE1 3.82Å; Y319-Y558 AromaticContact CE2-CZ 3.57Å; Y319-Y558 WeakPolarHBondContact CE2-OH 3.37Å; Y319-Y558 PolarHBondContact OH-OH 3.34Å
320	K	85.8	Confident	86.2	Confident	101 Å²	101	86.5 Å²	86.5	44%	0.439	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.4	169.8	-173.4	178.2	176	-174.5	0	108.5	D2 E329	D2-K320 PolarHBondContact O-NZ 2.71Å; K320-E329 PolarHBondContact N-O 3.5Å; K320-E329 PolarHBondContact O-N 3.39Å
321	Y	85.9	Confident	86.6	Confident	131 Å²	131	85.5 Å²	85.5	51%	0.514	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	124.4	172.5	-174.9	-107	0	0	0	108.9	E323 K326	Y321-E323 HydrophobicContact CD1-CG 4.16Å; Y321-E323 HydrophobicContact CE1-CG 4.16Å; Y321-K326 WeakPolarHBondContact CE2-O 3.31Å; Y321-K326 WeakPolarHBondContact OH-CA 3.47Å; Y321-K326 PolarHBondContact OH-O 3.42Å
322	N	83.9	Confident	86.5	Confident	50 Å²	50	88.9 Å²	88.9	27%	0.267	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	115.7	173.5	-175.9	-15.6	0	0	0	108.7	E324 S325 K326 E327	N322-E324 VanDerWaalsContact C-N 3.28Å; N322-E324 PolarHBondContact O-N 2.94Å; N322-E324 WeakPolarHBondContact OD1-CB 3.38Å; N322-E324 PolarHBondContact OD1-N 3.36Å; N322-S325 WeakPolarHBondContact CB-OG 3.22Å; N322-K326 VanDerWaalsContact O-CA 3.31Å; N322-K326 WeakPolarHBondContact O-CA 3.48Å; N322-K326 PolarHBondContact O-N 3.39Å; N322-E327 PolarHBondContact N-O 2.92Å; N322-E327 PolarHBondContact O-N 2.78Å
323	E	87	Confident	86.4	Confident	158 Å²	158	89.9 Å²	89.9	74%	0.738	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-28.1	-178.4	-64.1	-168.3	165.6	0	0	112.8	Y321	Y321-E323 HydrophobicContact CD1-CG 4.16Å; Y321-E323 HydrophobicContact CE1-CG 4.16Å
324	E	87.8	Confident	86.4	Confident	184 Å²	184	86.9 Å²	86.9	86%	0.86	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-44.7	-177	-61.2	-175.3	165.5	0	0	111.9	N322	N322-E324 VanDerWaalsContact C-N 3.28Å; N322-E324 PolarHBondContact O-N 2.94Å; N322-E324 WeakPolarHBondContact OD1-CB 3.38Å; N322-E324 PolarHBondContact OD1-N 3.36Å
325	S	85.3	Confident	86.4	Confident	59 Å²	59	85.9 Å²	85.9	41%	0.413	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-15	175	61.8	0	0	0	0	113.1	N322 E327	N322-S325 WeakPolarHBondContact CB-OG 3.22Å; S325-E327 PolarHBondContact O-N 3.02Å; S325-E327 PolarHBondContact OG-N 3.38Å
326	K	84	Confident	86.3	Confident	160 Å²	160	86.8 Å²	86.8	70%	0.696	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	22.3	-168.8	-59.2	-177.5	177.5	179.2	0	113.8	Y321 N322	Y321-K326 WeakPolarHBondContact CE2-O 3.31Å; Y321-K326 WeakPolarHBondContact OH-CA 3.47Å; Y321-K326 PolarHBondContact OH-O 3.42Å; N322-K326 VanDerWaalsContact O-CA 3.31Å; N322-K326 WeakPolarHBondContact O-CA 3.48Å; N322-K326 PolarHBondContact O-N 3.39Å
327	E	83.6	Confident	86.5	Confident	138 Å²	138	85.5 Å²	85.5	65%	0.645	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	155.5	-177	-69.6	-179.5	170.7	0	0	111.2	N322 S325	N322-E327 PolarHBondContact N-O 2.92Å; N322-E327 PolarHBondContact O-N 2.78Å; S325-E327 PolarHBondContact O-N 3.02Å; S325-E327 PolarHBondContact OG-N 3.38Å
328	S	85.3	Confident	86.8	Confident	47 Å²	47	80.5 Å²	80.5	33%	0.329	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	122.3	173.5	-63.4	0	0	0	0	109.7
329	E	85.5	Confident	87.2	Confident	116 Å²	116	81.2 Å²	81.2	54%	0.542	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	134.4	179.2	-173.1	176.4	-179.6	0	0	110.6	Y319 K320	Y319-E329 WeakPolarHBondContact CA-O 3.24Å; K320-E329 PolarHBondContact N-O 3.5Å; K320-E329 PolarHBondContact O-N 3.39Å
330	K	85.9	Confident	87.5	Confident	23 Å²	23	80.3 Å²	80.3	10%	0.1	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	122.1	173.1	-166.7	178	-179.7	177.5	0	110.2	R318 Y319 K332 H511 G513 N556	R318-K330 CarbonylContact O-C 3.51Å; R318-K330 WeakPolarHBondContact O-CA 3.39Å; Y319-K330 HydrophobicContact CD1-CB 4Å; Y319-K330 HydrophobicContact CD1-CG 4.38Å; Y319-K330 HydrophobicContact CE1-CB 3.55Å; Y319-K330 HydrophobicContact CE1-CD 4.21Å; Y319-K330 HydrophobicContact CE1-CG 3.82Å; K330-K332 PolarHBondContact O-N 3.24Å; K330-H511 PolarHBondContact NZ-O 3.29Å; K330-G513 WeakPolarHBondContact CD-O 3.34Å; K330-G513 PolarHBondContact NZ-O 3.17Å; K330-N556 PolarHBondContact NZ-OD1 3.29Å
331	A	86.3	Confident	87.7	Confident	36 Å²	36	77.7 Å²	77.7	30%	0.298	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-60.9	120.6	170.4	0	0	0	0	0	110.1	R318 N333	R318-A331 HydrophobicContact CB-CB 4.44Å; R318-A331 VanDerWaalsContact O-CB 3.32Å; R318-A331 WeakPolarHBondContact O-CB 3.4Å; R318-A331 PolarHBondContact O-N 3.19Å; A331-N333 VanDerWaalsContact CB-OD1 3.31Å; A331-N333 WeakPolarHBondContact CB-OD1 3.48Å
332	K	83.7	Confident	87.8	Confident	150 Å²	150	72.2 Å²	72.2	65%	0.652	36%	0.359	S	S	*	.			trans	-92.8	1.4	-175.2	-59.3	-172.9	-179.3	-172.7	0	113.7	K330 A334	K330-K332 PolarHBondContact O-N 3.24Å; K332-A334 PolarHBondContact O-N 2.87Å
333	N	86.2	Confident	87.7	Confident	55 Å²	55	72 Å²	72	29%	0.294	36%	0.358	S	S	.	.			trans	-64.8	132	-179	58.7	-43.7	0	0	0	111.2	R318 A331 Y446	R318-N333 PolarHBondContact NH1-O 2.75Å; A331-N333 VanDerWaalsContact CB-OD1 3.31Å; A331-N333 WeakPolarHBondContact CB-OD1 3.48Å; N333-Y446 HydrophobicContact CB-CE1 4.47Å; N333-Y446 HydrophobicContact CB-CE2 3.79Å; N333-Y446 WeakPolarHBondContact CB-OH 3.47Å; N333-Y446 PolarHBondContact ND2-OH 3.42Å
334	A	89.5	Confident	87.3	Confident	35 Å²	35	68.4 Å²	68.4	29%	0.289	34%	0.341	S	S	.	.			trans	-73.4	134.3	170.1	0	0	0	0	0	109	K332 E554 K555	K332-A334 PolarHBondContact O-N 2.87Å; A334-E554 HydrophobicContact CB-CB 3.95Å; A334-K555 HydrophobicContact CB-CG 4.13Å
335	I	89.4	Confident	86.7	Confident	39 Å²	39	65.2 Å²	65.2	20%	0.2	33%	0.33	C	S	.	.			trans	-110	136.2	169.5	70.5	-178.1	0	0	0	108.6	V316 R318 I337 E554 F560	V316-I335 HydrophobicContact CB-CD1 4.46Å; V316-I335 HydrophobicContact CG1-CD1 4.24Å; V316-I335 HydrophobicContact CG2-CD1 3.77Å; R318-I335 VanDerWaalsContact NH2-CD1 3.33Å; I335-I337 HydrophobicContact CG1-CG1 4.23Å; I335-E554 WeakPolarHBondContact CG1-O 3.32Å; I335-E554 PolarHBondContact N-O 2.8Å; I335-E554 WeakPolarHBondContact O-CA 3.46Å; I335-E554 WeakPolarHBondContact O-CB 3.43Å; I335-F560 HydrophobicContact CD1-CE2 3.63Å; I335-F560 HydrophobicContact CD1-CZ 3.62Å; I335-F560 HydrophobicContact CG1-CZ 4.45Å
336	R	89.1	Confident	86.2	Confident	147 Å²	147	71.7 Å²	71.7	56%	0.555	35%	0.347	S	S	*	.			trans	-69	132.9	171.4	-168.6	-179.1	-173.6	-163.9	4.8	108.8	P338 E494	R336-P338 WeakPolarHBondContact O-CD 3.38Å; R336-E494 VanDerWaalsContact CZ-CD 3.41Å; R336-E494 IonicContact CZ-OE1 3.63Å; R336-E494 IonicContact CZ-OE2 2.94Å; R336-E494 IonicContact NE-OE1 2.78Å; R336-E494 IonicContact NE-OE2 2.6Å; R336-E494 PolarHBondContact NE-OE2 3.29Å; R336-E494 IonicContact NH1-OE1 3.59Å; R336-E494 PolarHBondContact NH1-OE1 3.37Å; R336-E494 IonicContact NH1-OE2 2.75Å; R336-E494 PolarHBondContact NH1-OE2 3.12Å; R336-E494 IonicContact NH2-OE2 3.55Å; R336-E494 PolarHBondContact NH2-OE2 3.09Å
337	I	93.2	Very high	85.4	Confident	7 Å²	7	66.3 Å²	66.3	4%	0.036	33%	0.328	C	S	.	.			trans	-112.9	93.6	-179.1	-59.9	163.6	0	0	0	107.5	I335 L505 Q550 R553 F560	I335-I337 HydrophobicContact CG1-CG1 4.23Å; I337-L505 HydrophobicContact CG2-CD1 4.32Å; I337-L505 HydrophobicContact CG2-CD2 3.64Å; I337-Q550 HydrophobicContact CB-CB 4.49Å; I337-Q550 HydrophobicContact CB-CG 4.31Å; I337-Q550 WeakPolarHBondContact CD1-O 3.39Å; I337-Q550 HydrophobicContact CG2-CG 4.32Å; I337-Q550 VanDerWaalsContact O-CG 3.26Å; I337-Q550 WeakPolarHBondContact O-CG 3.39Å; I337-Q550 PolarHBondContact O-NE2 3.12Å; I337-R553 HydrophobicContact CD1-CB 3.9Å; I337-F560 HydrophobicContact CD1-CE1 3.51Å; I337-F560 HydrophobicContact CD1-CZ 4.03Å; I337-F560 HydrophobicContact CG1-CD1 4.41Å; I337-F560 HydrophobicContact CG1-CE1 3.63Å; I337-F560 HydrophobicContact CG1-CZ 4.15Å; I337-F560 HydrophobicContact CG2-CD1 4.07Å; I337-F560 HydrophobicContact CG2-CE1 4.02Å
338	P	92.9	Very high	84.7	Confident	16 Å²	16	64.4 Å²	64.4	10%	0.104	33%	0.326	C	S	.	.			trans	-73.2	152.4	-178.3	30.9	-36.9	0	0	0	112	R336 F340 L341 E494 Y562	R336-P338 WeakPolarHBondContact O-CD 3.38Å; P338-F340 VanDerWaalsContact C-N 3.34Å; P338-F340 WeakPolarHBondContact CB-O 3.36Å; P338-L341 HydrophobicContact CG-CB 4.46Å; P338-L341 HydrophobicContact CG-CD1 4.38Å; P338-E494 HydrophobicContact CB-CB 3.73Å; P338-E494 HydrophobicContact CB-CG 3.5Å; P338-E494 HydrophobicContact CG-CG 4.45Å; P338-Y562 WeakPolarHBondContact CD-OH 3.4Å; P338-Y562 WeakPolarHBondContact O-CE1 3.46Å; P338-Y562 PolarHBondContact O-OH 3.2Å; P338-Y562 VanDerWaalsContact O-OH 3.04Å
339	T	93.9	Very high	83.4	Confident	18 Å²	18	68.8 Å²	68.8	11%	0.11	36%	0.356	C	S	.	.	S	Bend	trans	-68.2	-39.8	172.7	-63.1	0	0	0	0	110.5	E494 R504 L505 E546 Q550	T339-E494 WeakPolarHBondContact CA-O 3.2Å; T339-E494 VanDerWaalsContact CB-O 3.24Å; T339-E494 WeakPolarHBondContact CB-O 3.29Å; T339-E494 PolarHBondContact N-O 2.94Å; T339-E494 VanDerWaalsContact N-O 3.11Å; T339-R504 HydrophobicContact CG2-CG 4.38Å; T339-R504 CarbonylContact O-C 3.42Å; T339-R504 VanDerWaalsContact O-CA 3.3Å; T339-R504 WeakPolarHBondContact O-CA 3.31Å; T339-L505 PolarHBondContact O-N 3.19Å; T339-E546 WeakPolarHBondContact CB-OE1 3.46Å; T339-E546 WeakPolarHBondContact CG2-OE1 3.31Å; T339-E546 PolarHBondContact OG1-OE1 2.71Å; T339-Q550 PolarHBondContact OG1-NE2 3.27Å
340	F	93.4	Very high	82	Confident	16 Å²	16	68.9 Å²	68.9	7%	0.07	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	136.7	174.4	-66.6	-87.6	0	0	0	111.5	P338 N493 E494 I495 G497 F503 R504 K565	P338-F340 VanDerWaalsContact C-N 3.34Å; P338-F340 WeakPolarHBondContact CB-O 3.36Å; F340-N493 VanDerWaalsContact CB-O 3.31Å; F340-N493 WeakPolarHBondContact CB-O 3.35Å; F340-E494 PolarHBondContact N-O 3Å; F340-E494 WeakPolarHBondContact O-CA 3.32Å; F340-I495 WeakPolarHBondContact CD2-O 3.4Å; F340-I495 WeakPolarHBondContact CE2-O 3.46Å; F340-G497 VanDerWaalsContact CG-CA 3.45Å; F340-F503 CarbonylContact C-O 3.58Å; F340-F503 WeakPolarHBondContact CA-O 3.3Å; F340-R504 HydrophobicContact CD1-CB 3.73Å; F340-R504 HydrophobicContact CD1-CG 4.15Å; F340-R504 HydrophobicContact CE1-CB 3.5Å; F340-R504 VanDerWaalsContact CE1-CB 3.5Å; F340-R504 HydrophobicContact CE1-CG 3.75Å; F340-R504 HydrophobicContact CZ-CB 4.25Å; F340-R504 HydrophobicContact CZ-CG 3.99Å; F340-K565 HydrophobicContact CD1-CD 4.37Å; F340-K565 HydrophobicContact CE1-CB 4.44Å; F340-K565 HydrophobicContact CE1-CD 3.87Å; F340-K565 HydrophobicContact CE1-CG 4.16Å
341	L	90.7	Very high	80.6	Confident	46 Å²	46	69.8 Å²	69.8	24%	0.241	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125.9	174.8	-178.3	67.2	0	0	0	109.2	L312 L314 P338 S502 F503 Y562	L312-L341 HydrophobicContact CD2-CD2 3.7Å; L314-L341 HydrophobicContact CD1-CD2 3.69Å; P338-L341 HydrophobicContact CG-CB 4.46Å; P338-L341 HydrophobicContact CG-CD1 4.38Å; L341-S502 CarbonylContact O-C 3.47Å; L341-S502 WeakPolarHBondContact O-CA 3.32Å; L341-F503 PolarHBondContact N-O 2.95Å; L341-F503 PolarHBondContact O-N 3.14Å; L341-Y562 HydrophobicContact CB-CD1 4.1Å; L341-Y562 HydrophobicContact CB-CE1 3.94Å
342	T	87.1	Confident	79.2	Confident	16 Å²	16	76.9 Å²	76.9	10%	0.098	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	140.8	170.5	-176.9	0	0	0	0	110.6	Q344 L499 P500	T342-Q344 VanDerWaalsContact OG1-CB 3.25Å; T342-Q344 WeakPolarHBondContact OG1-CB 3.5Å; T342-Q344 PolarHBondContact OG1-N 3.47Å; T342-Q344 VanDerWaalsContact OG1-N 3.07Å; T342-L499 HydrophobicContact CG2-CB 4.46Å; T342-L499 HydrophobicContact CG2-CD1 3.75Å; T342-P500 PolarHBondContact OG1-O 2.89Å
343	L	83.1	Confident	77.7	Confident	47 Å²	47	76 Å²	76	25%	0.246	40%	0.395	C	S	.	.			trans	-102.7	13.9	168.7	-61.6	-176.6	0	0	0	112.3	L312 D345 Y346 C347 R501 F503	L312-L343 HydrophobicContact CD1-CD1 4.23Å; L312-L343 HydrophobicContact CD2-CD1 4.06Å; L312-L343 HydrophobicContact CD2-CD2 4.13Å; L312-L343 HydrophobicContact CD2-CG 4.25Å; L343-D345 VanDerWaalsContact C-N 3.31Å; L343-D345 PolarHBondContact O-N 2.99Å; L343-Y346 HydrophobicContact CD2-CD2 4.33Å; L343-Y346 CarbonylContact O-C 3.59Å; L343-Y346 PolarHBondContact O-N 2.85Å; L343-C347 PolarHBondContact O-N 3Å; L343-C347 PolarHBondContact O-SG 2.91Å; L343-R501 PolarHBondContact N-O 3.12Å; L343-F503 HydrophobicContact CD1-CD2 4.5Å; L343-F503 HydrophobicContact CD1-CE2 3.83Å; L343-F503 HydrophobicContact CD1-CZ 4.38Å; L343-F503 HydrophobicContact CG-CD2 4.41Å; L343-F503 HydrophobicContact CG-CE2 4.06Å
344	Q	77.3	Confident	76.1	Confident	82 Å²	82	74.1 Å²	74.1	38%	0.383	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-56.2	-43.5	-172.3	-177.3	59.4	26.2	0	0	112.5	T342 Y346 C347 P500	T342-Q344 VanDerWaalsContact OG1-CB 3.25Å; T342-Q344 WeakPolarHBondContact OG1-CB 3.5Å; T342-Q344 PolarHBondContact OG1-N 3.47Å; T342-Q344 VanDerWaalsContact OG1-N 3.07Å; Q344-Y346 PolarHBondContact O-N 3.26Å; Q344-C347 WeakPolarHBondContact O-CB 3.33Å; Q344-C347 PolarHBondContact O-N 3.33Å; Q344-C347 VanDerWaalsContact O-N 3.16Å; Q344-P500 HydrophobicContact CB-CG 4.43Å; Q344-P500 HydrophobicContact CG-CG 3.97Å; Q344-P500 VanDerWaalsContact OE1-CG 3.26Å
345	D	75.7	Confident	74	Confident	117 Å²	117	75.4 Å²	75.4	63%	0.626	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-68.9	-19.2	179.9	-63.9	-20.3	0	0	0	113.4	L343	L343-D345 VanDerWaalsContact C-N 3.31Å; L343-D345 PolarHBondContact O-N 2.99Å
346	Y	75.4	Confident	71.6	Confident	195 Å²	195	79.1 Å²	79.1	77%	0.765	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-98.1	1	178.5	-56.4	-78.9	0	0	0	112.6	L343 Q344	L343-Y346 HydrophobicContact CD2-CD2 4.33Å; L343-Y346 CarbonylContact O-C 3.59Å; L343-Y346 PolarHBondContact O-N 2.85Å; Q344-Y346 PolarHBondContact O-N 3.26Å
347	C	67.2	Low	69.4	Low	46 Å²	46	77 Å²	77	31%	0.311	42%	0.417	S	S	.	.			trans	-86.1	128.3	177.9	-70.6	0	0	0	0	111.1	L343 Q344 A351	L343-C347 PolarHBondContact O-N 3Å; L343-C347 PolarHBondContact O-SG 2.91Å; Q344-C347 WeakPolarHBondContact O-CB 3.33Å; Q344-C347 PolarHBondContact O-N 3.33Å; Q344-C347 VanDerWaalsContact O-N 3.16Å; C347-A351 HydrophobicContact CB-CB 4.25Å
348	V	67.7	Low	66.9	Low	99 Å²	99	80.9 Å²	80.9	60%	0.6	44%	0.44	S	S	*	.			trans	-67.1	148.1	167.8	-70.9	0	0	0	0	110.9	D350 A351	V348-D350 VanDerWaalsContact CB-OD1 3.3Å; V348-D350 WeakPolarHBondContact CB-OD1 3.49Å; V348-D350 WeakPolarHBondContact CG2-OD1 3.41Å; V348-D350 PolarHBondContact O-N 2.89Å; V348-A351 HydrophobicContact CG2-CB 4.11Å; V348-A351 WeakPolarHBondContact O-CB 3.36Å; V348-A351 PolarHBondContact O-N 3.41Å
349	S	59.1	Low	64.1	Low	138 Å²	138	82.9 Å²	82.9	97%	0.965	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-18.1	-174.8	57.4	0	0	0	0	115.6
350	D	56.3	Low	61.1	Low	118 Å²	118	84.8 Å²	84.8	63%	0.631	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	6.3	175.7	63.6	-30.8	0	0	0	113.8	V348 F352	V348-D350 VanDerWaalsContact CB-OD1 3.3Å; V348-D350 WeakPolarHBondContact CB-OD1 3.49Å; V348-D350 WeakPolarHBondContact CG2-OD1 3.41Å; V348-D350 PolarHBondContact O-N 2.89Å; D350-F352 PolarHBondContact O-N 3.46Å
351	A	56.6	Low	58.2	Low	42 Å²	42	89 Å²	89	35%	0.347	50%	0.5	S	S	.	.			trans	-66.6	99.5	179.3	0	0	0	0	0	111.5	C347 V348 E353 R501	C347-A351 HydrophobicContact CB-CB 4.25Å; V348-A351 HydrophobicContact CG2-CB 4.11Å; V348-A351 WeakPolarHBondContact O-CB 3.36Å; V348-A351 PolarHBondContact O-N 3.41Å; A351-E353 PolarHBondContact O-N 3.35Å; A351-R501 PolarHBondContact O-NH2 2.97Å
352	F	54.9	Low	55.4	Low	186 Å²	186	94.7 Å²	94.7	82%	0.816	52%	0.523	S	S	*	.			trans	-46.3	122.6	173.3	-68.1	-82.1	0	0	0	111.7	D350 S354 R501	D350-F352 PolarHBondContact O-N 3.46Å; F352-S354 PolarHBondContact O-N 2.85Å; F352-R501 PolarHBondContact O-NH2 3.36Å
353	E	52.6	Low	52.6	Low	131 Å²	131	102.2 Å²	102.2	61%	0.612	55%	0.554	S	S	*	*			trans	-46	138.8	167.6	-130.1	-175.7	143	0	0	109.7	A351 A355 K566	A351-E353 PolarHBondContact O-N 3.35Å; E353-A355 WeakPolarHBondContact O-CA 3.27Å; E353-A355 PolarHBondContact O-N 3.5Å; E353-K566 IonicContact OE1-NZ 3.12Å; E353-K566 PolarHBondContact OE1-NZ 3.32Å
354	S	52.2	Low	50.2	Low	15 Å²	15	108.6 Å²	108.6	11%	0.105	58%	0.576	C	S	.	*			trans	-48.7	112.6	-176.7	-160.2	0	0	0	0	107.4	F352 D356	F352-S354 PolarHBondContact O-N 2.85Å; S354-D356 PolarHBondContact O-N 3.42Å; S354-D356 VanDerWaalsContact O-N 3.11Å
355	A	46.9	Very low	47.9	Very low	63 Å²	63	110.7 Å²	110.7	52%	0.521	59%	0.594	S	S	.	*			trans	-59.6	121.2	-165.6	0	0	0	0	0	108.2	E353 L357	E353-A355 WeakPolarHBondContact O-CA 3.27Å; E353-A355 PolarHBondContact O-N 3.5Å; A355-L357 PolarHBondContact O-N 3.18Å
356	D	39.3	Very low	45.4	Very low	117 Å²	117	109.3 Å²	109.3	63%	0.626	59%	0.594	S	S	*	*			trans	-52.3	98.7	171.6	-84	-25.5	0	0	0	109.1	S354 T358 A359	S354-D356 PolarHBondContact O-N 3.42Å; S354-D356 VanDerWaalsContact O-N 3.11Å; D356-T358 PolarHBondContact O-N 3.21Å; D356-T358 VanDerWaalsContact O-N 3.16Å; D356-A359 WeakPolarHBondContact O-CB 3.33Å; D356-A359 PolarHBondContact O-N 2.82Å; D356-A359 VanDerWaalsContact O-N 3.07Å
357	L	42.7	Very low	43.3	Very low	103 Å²	103	108.5 Å²	108.5	54%	0.539	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.2	-6.6	-179.8	-80.3	171.1	0	0	0	112.3	A355 A359 S360 T361	A355-L357 PolarHBondContact O-N 3.18Å; L357-A359 PolarHBondContact O-N 3.42Å; L357-A359 VanDerWaalsContact O-N 3.12Å; L357-S360 PolarHBondContact O-N 2.94Å; L357-T361 PolarHBondContact O-N 3.28Å; L357-T361 VanDerWaalsContact O-N 3.15Å; L357-T361 PolarHBondContact O-OG1 2.87Å
358	T	40.4	Very low	41.3	Very low	87 Å²	87	114.6 Å²	114.6	53%	0.534	62%	0.619	S	S	.	*	H	α-helix	trans	-55.6	-26.1	164.8	65	0	0	0	0	111.8	D356	D356-T358 PolarHBondContact O-N 3.21Å; D356-T358 VanDerWaalsContact O-N 3.16Å
359	A	33.3	Very low	39.2	Very low	59 Å²	59	117.7 Å²	117.7	49%	0.488	63%	0.632	S	S	.	*	H	α-helix	trans	-77.5	-31.8	175.2	0	0	0	0	0	113.8	D356 L357	D356-A359 WeakPolarHBondContact O-CB 3.33Å; D356-A359 PolarHBondContact O-N 2.82Å; D356-A359 VanDerWaalsContact O-N 3.07Å; L357-A359 PolarHBondContact O-N 3.42Å; L357-A359 VanDerWaalsContact O-N 3.12Å
360	S	32.1	Very low	37.6	Very low	57 Å²	57	119.6 Å²	119.6	40%	0.399	63%	0.628	S	S	.	*	H	α-helix	trans	-75	-35.9	176.8	-85.3	0	0	0	0	111.9	L357 K362 K363 Y364	L357-S360 PolarHBondContact O-N 2.94Å; S360-K362 PolarHBondContact O-N 3.38Å; S360-K363 PolarHBondContact O-N 3.39Å; S360-Y364 WeakPolarHBondContact O-CD2 3.23Å
361	T	32.8	Very low	36	Very low	106 Å²	106	118.9 Å²	118.9	65%	0.65	63%	0.632	S	S	*	*	H	α-helix	trans	-64.4	-26.4	176.2	-42.7	0	0	0	0	112.1	L357	L357-T361 PolarHBondContact O-N 3.28Å; L357-T361 VanDerWaalsContact O-N 3.15Å; L357-T361 PolarHBondContact O-OG1 2.87Å
362	K	30.1	Very low	34.7	Very low	164 Å²	164	122.9 Å²	122.9	71%	0.713	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-17.9	177.3	-72.1	179.2	-177.9	174.6	0	114.9	S360	S360-K362 PolarHBondContact O-N 3.38Å
363	K	30.1	Very low	33.3	Very low	175 Å²	175	119 Å²	119	76%	0.761	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-12.4	-178.4	-77	-172.1	179.2	178.2	0	114.7	S360	S360-K363 PolarHBondContact O-N 3.39Å
364	Y	31.8	Very low	31.9	Very low	181 Å²	181	122.6 Å²	122.6	71%	0.71	67%	0.67	S	S	*	*	S	Bend	trans	-92.4	-0.8	-179.4	-75.3	-78.5	0	0	0	114.9	S360 S366	S360-Y364 WeakPolarHBondContact O-CD2 3.23Å; Y364-S366 PolarHBondContact O-N 2.92Å
365	T	29.1	Very low	30.6	Very low	125 Å²	125	127.1 Å²	127.1	77%	0.767	70%	0.702	S	S	*	*	S	Bend	trans	-98.4	42.9	172.9	57.7	0	0	0	0	112.4
366	S	24	Very low	29.6	Very low	88 Å²	88	128.7 Å²	128.7	62%	0.615	72%	0.715	S	S	*	*			trans	-150.2	64.4	170.5	175.3	0	0	0	0	111.9	Y364	Y364-S366 PolarHBondContact O-N 2.92Å
367	F	29.6	Very low	28.9	Very low	179 Å²	179	128.9 Å²	128.9	79%	0.785	72%	0.72	S	S	*	*			trans	-110.6	82.9	157	-75.9	-78.9	0	0	0	108.6	N369	F367-N369 PolarHBondContact O-N 3.21Å
368	Q	26.7	Very low	27.9	Very low	173 Å²	173	130.1 Å²	130.1	81%	0.808	73%	0.727	S	S	*	*			trans	-69.6	116.5	165	-77.3	-178.5	-14.7	0	0	109.4	M370	Q368-M370 PolarHBondContact O-N 3.2Å
369	N	23.1	Very low	27.2	Very low	164 Å²	164	134.6 Å²	134.6	88%	0.877	75%	0.747	S	S	*	*			trans	18.1	93.8	145.6	-62.8	-24.5	0	0	0	117.3	F367	F367-N369 PolarHBondContact O-N 3.21Å
370	M	24.5	Very low	26.5	Very low	178 Å²	178	142.4 Å²	142.4	88%	0.877	76%	0.764	S	S	*	*			trans	-112	121.4	152.8	-73.1	-124.8	75.1	0	0	109.9	Q368	Q368-M370 PolarHBondContact O-N 3.2Å
371	S	24.2	Very low	26.3	Very low	104 Å²	104	149.7 Å²	149.7	73%	0.727	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-73.5	154.8	-178.4	36.3	0	0	0	0	112.5	A373	S371-A373 PolarHBondContact O-N 3.2Å
372	P	28.3	Very low	26	Very low	126 Å²	126	149.7 Å²	149.7	82%	0.818	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-87.6	118.6	-159.5	32.3	-31.9	0	0	0	112.4
373	A	24.7	Very low	25.8	Very low	104 Å²	104	146.2 Å²	146.2	86%	0.86	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-75.8	137	169.2	0	0	0	0	0	111	S371	S371-A373 PolarHBondContact O-N 3.2Å
374	K	23.3	Very low	25.6	Very low	207 Å²	207	147.9 Å²	147.9	90%	0.9	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-73.2	133.3	-176.5	-59.4	163.6	177.6	173.6	0	110.6
375	S	25.5	Very low	25.3	Very low	110 Å²	110	142.9 Å²	142.9	77%	0.769	81%	0.805	S	S	*	*			trans	-175.1	115.9	135.7	179.9	0	0	0	0	108.8
376	A	25.4	Very low	25.2	Very low	95 Å²	95	143.5 Å²	143.5	79%	0.785	80%	0.804	S	S	*	*			trans	-100.3	126.2	172.1	0	0	0	0	0	108
377	T	24.3	Very low	25.6	Very low	121 Å²	121	144.4 Å²	144.4	74%	0.742	81%	0.81	S	S	*	*			trans	-169.6	99.5	154.1	27.7	0	0	0	0	105.8
378	D	23.2	Very low	25.7	Very low	129 Å²	129	140.2 Å²	140.2	69%	0.69	80%	0.803	S	S	*	*				70.8	88.5	95	-94.2	-21.5	0	0	0	113.5
379	L	25	Very low	25.8	Very low	181 Å²	181	135.1 Å²	135.1	95%	0.948	79%	0.791	S	S	*	*			trans	-136.1	101.6	149.5	-75.6	176.8	0	0	0	108.8
380	R	19.6	Very low	26.2	Very low	223 Å²	223	133.7 Å²	133.7	84%	0.842	78%	0.782	S	S	*	*			trans	-70.8	120.7	171.2	-64	175.4	-160.4	173.5	6	108.4
381	F	26.6	Very low	26.5	Very low	211 Å²	211	135.5 Å²	135.5	93%	0.925	78%	0.779	S	S	*	*			trans	-115.7	120.9	155.7	-128.6	-92.2	0	0	0	109.4	A383	F381-A383 PolarHBondContact O-N 2.92Å
382	S	26.2	Very low	26.6	Very low	106 Å²	106	140.1 Å²	140.1	74%	0.741	78%	0.78	S	S	*	*			trans	-65.7	126.3	-176.7	-178.8	0	0	0	0	110.5	K384	S382-K384 PolarHBondContact O-N 2.87Å
383	A	26.5	Very low	26.5	Very low	90 Å²	90	144.7 Å²	144.7	74%	0.744	78%	0.781	S	S	*	*			trans	-58.5	121.4	165.6	0	0	0	0	0	110.4	F381	F381-A383 PolarHBondContact O-N 2.92Å
384	K	25.2	Very low	26.6	Very low	211 Å²	211	146.8 Å²	146.8	92%	0.917	78%	0.777	S	S	*	*			trans	-177.5	98.5	154.4	-101.9	165.2	-170.8	-172.6	0	108.5	S382	S382-K384 PolarHBondContact O-N 2.87Å
385	G	26.2	Very low	27.2	Very low	75 Å²	75	145.5 Å²	145.5	77%	0.773	77%	0.772	S	S	*	*			trans	-173.5	100	174.1	0	0	0	0	0	110.2	S387	G385-S387 PolarHBondContact O-N 3.46Å
386	N	27.5	Very low	27.4	Very low	138 Å²	138	147.5 Å²	147.5	74%	0.738	77%	0.769	S	S	*	*			trans	-53.3	128.5	-177.9	-76.5	-17.9	0	0	0	112.3	S388 A389	N386-S388 PolarHBondContact O-N 3.07Å; N386-A389 PolarHBondContact O-N 2.86Å
387	S	32.8	Very low	27.5	Very low	107 Å²	107	150.3 Å²	150.3	75%	0.748	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	0.1	-177.7	-171.9	0	0	0	0	115.2	G385	G385-S387 PolarHBondContact O-N 3.46Å
388	S	31.1	Very low	27.7	Very low	91 Å²	91	151.4 Å²	151.4	64%	0.636	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-13.4	179.6	52.6	0	0	0	0	114.2	N386	N386-S388 PolarHBondContact O-N 3.07Å
389	A	28.9	Very low	28	Very low	66 Å²	66	151.5 Å²	151.5	55%	0.545	77%	0.773	S	S	.	*	S	Bend	trans	-85.5	-25.5	-179.4	0	0	0	0	0	113.9	N386	N386-A389 PolarHBondContact O-N 2.86Å
390	I	31.3	Very low	28.2	Very low	134 Å²	134	147.2 Å²	147.2	69%	0.687	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-30.4	-177	-64.8	170.3	0	0	0	111.4	R392	I390-R392 VanDerWaalsContact C-N 3.3Å; I390-R392 PolarHBondContact O-N 2.77Å
391	R	31.1	Very low	28.6	Very low	217 Å²	217	143 Å²	143	82%	0.819	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-19.6	176.8	-95.1	-175.6	178.6	171.6	-2.2	114.4
392	R	26.7	Very low	28.6	Very low	201 Å²	201	141.7 Å²	141.7	76%	0.758	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-19	179	-83.3	-172.4	-176.4	143.8	1.9	115.1	I390 L394	I390-R392 VanDerWaalsContact C-N 3.3Å; I390-R392 PolarHBondContact O-N 2.77Å; R392-L394 PolarHBondContact O-N 3.28Å
393	R	25.1	Very low	28.6	Very low	222 Å²	222	142.6 Å²	142.6	84%	0.838	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-8.8	-175.3	-78.5	-168.5	-168.9	-172.9	2.8	115.6
394	L	27.6	Very low	28.5	Very low	147 Å²	147	142.3 Å²	142.3	77%	0.77	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	0.7	179.8	-74.5	170.9	0	0	0	114	R392	R392-L394 PolarHBondContact O-N 3.28Å
395	F	36.4	Very low	28.6	Very low	180 Å²	180	140 Å²	140	79%	0.789	74%	0.736	S	S	*	*	S	Bend	trans	-130.6	13.4	-170.4	-67.8	-71.9	0	0	0	116.1
396	E	28.9	Very low	28.6	Very low	153 Å²	153	141.7 Å²	141.7	72%	0.715	74%	0.736	S	S	*	*	S	Bend	trans	-98.8	-0.9	177.9	-83.6	-179.1	168.3	0	0	115.8
397	D	27.3	Very low	28.4	Very low	153 Å²	153	145 Å²	145	82%	0.818	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	10.5	-176.7	-76.9	-12.2	0	0	0	115.8
398	N	28.9	Very low	27.8	Very low	144 Å²	144	151.7 Å²	151.7	77%	0.77	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.4	3.1	177.5	-92	-25.4	0	0	0	116
399	D	29.4	Very low	27.5	Very low	132 Å²	132	152.9 Å²	152.9	71%	0.706	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	0.7	176.5	-131.6	1.1	0	0	0	113.6
400	S	29.2	Very low	27.2	Very low	90 Å²	90	154.2 Å²	154.2	63%	0.629	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-2.2	179.9	-38.1	0	0	0	0	114.8
401	L	28	Very low	26.8	Very low	136 Å²	136	156.7 Å²	156.7	71%	0.712	78%	0.78	S	S	*	*	S	Bend	trans	-113.7	1	-175	-92.4	157.8	0	0	0	115.3
402	K	26.3	Very low	26.4	Very low	183 Å²	183	155.9 Å²	155.9	80%	0.796	79%	0.786	S	S	*	*	S	Bend	trans	-102.6	-6.1	172.1	-75.2	-174.1	177.6	178.8	0	114.7
403	T	26.1	Very low	26.1	Very low	124 Å²	124	152 Å²	152	76%	0.761	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	3	178.7	28.8	0	0	0	0	114.9
404	S	25.3	Very low	25.8	Very low	85 Å²	85	147.6 Å²	147.6	59%	0.594	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	2.1	-178.9	50.6	0	0	0	0	116
405	L	26.9	Very low	25.5	Very low	163 Å²	163	146.6 Å²	146.6	85%	0.853	78%	0.779	S	S	*	*	S	Bend	trans	-122.1	19.5	178.4	-69.2	174.8	0	0	0	115.4
406	S	25.1	Very low	24.7	Very low	110 Å²	110	143.6 Å²	143.6	77%	0.769	78%	0.776	S	S	*	*	S	Bend	trans	-124.4	52.8	170.1	-64.5	0	0	0	0	112.4
407	K	23.2	Very low	24.5	Very low	206 Å²	206	143 Å²	143	90%	0.896	78%	0.783	S	S	*	*			trans	-149.7	69.4	162.1	-71.1	-168.3	-178.4	170.7	0	111.1
408	R	21.1	Very low	24.3	Very low	248 Å²	248	141 Å²	141	94%	0.936	78%	0.78	S	S	*	*	S	Bend	trans	-154.4	132.7	151.6	-124.1	173.8	-179.6	-177.2	-1.4	110.3
409	S	25	Very low	23.9	Very low	117 Å²	117	144.2 Å²	144.2	82%	0.818	79%	0.788	S	S	*	*			trans	82.1	70.2	171.2	-46.5	0	0	0	0	115.9
410	A	23.3	Very low	23.6	Very low	94 Å²	94	149.6 Å²	149.6	78%	0.777	80%	0.798	S	S	*	*			trans	-69.8	155.3	137.4	0	0	0	0	0	109.3
411	E	21.1	Very low	23.3	Very low	185 Å²	185	150.4 Å²	150.4	86%	0.864	80%	0.803	S	S	*	*			trans	76.9	81.7	174.5	-65.4	-179.5	143.6	0	0	116.9
412	E	23.2	Very low	23	Very low	201 Å²	201	148.5 Å²	148.5	94%	0.939	81%	0.807	S	S	*	*				-145.8	132.5	125.3	-132.8	173	-173.3	0	0	110.9
413	T	20.8	Very low	22.9	Very low	118 Å²	118	147.8 Å²	147.8	72%	0.724	81%	0.811	S	S	*	*			trans	-100.4	126.8	-160.5	-36.9	0	0	0	0	109.2
414	L	19.6	Very low	22.8	Very low	131 Å²	131	147 Å²	147	69%	0.686	82%	0.817	S	S	*	*			trans	37	137.9	153.2	-70.7	163.3	0	0	0	119.6	T416	L414-T416 HydrophobicContact CD2-CG2 3.83Å
415	P	20.4	Very low	22.9	Very low	125 Å²	125	147 Å²	147	81%	0.812	82%	0.823	S	S	*	*				-126.9	132.9	98.5	34.1	-26.9	0	0	0	113.3
416	T	19.6	Very low	22.7	Very low	117 Å²	117	145.1 Å²	145.1	72%	0.718	82%	0.823	S	S	*	*			trans	-61.2	123.5	167	43.7	0	0	0	0	111.5	L414	L414-T416 HydrophobicContact CD2-CG2 3.83Å
417	V	24.5	Very low	22.9	Very low	142 Å²	142	143.9 Å²	143.9	86%	0.861	82%	0.82	S	S	*	*			trans	-125.5	130.8	155.8	178.8	0	0	0	0	109
418	S	23	Very low	23	Very low	110 Å²	110	142.7 Å²	142.7	77%	0.769	82%	0.817	S	S	*	*			trans	-55	141.2	-166.4	-74.9	0	0	0	0	116.5	R420	S418-R420 PolarHBondContact O-N 3.19Å
419	K	21.9	Very low	23.2	Very low	211 Å²	211	140 Å²	140	92%	0.917	81%	0.813	S	S	*	*			trans	-34.7	115.3	151.4	-64.4	172.4	176.6	177.1	0	111.5
420	R	22.2	Very low	23.4	Very low	246 Å²	246	140.5 Å²	140.5	93%	0.928	81%	0.813	S	S	*	*			trans	-108.5	113.7	151.4	-83.4	-175.4	173.8	169.3	-0.7	108	S418	S418-R420 PolarHBondContact O-N 3.19Å
421	S	22.3	Very low	23.5	Very low	106 Å²	106	141.8 Å²	141.8	74%	0.741	81%	0.811	S	S	*	*			trans	-63.3	137.9	171	55	0	0	0	0	111
422	A	22.8	Very low	23.8	Very low	96 Å²	96	142.5 Å²	142.5	79%	0.793	82%	0.815	S	S	*	*			trans	16.6	106.2	144.7	0	0	0	0	0	117.2
423	L	24.5	Very low	24	Very low	168 Å²	168	140.9 Å²	140.9	88%	0.88	81%	0.807	S	S	*	*			trans	-127.3	105.2	144.5	-97.3	134.8	0	0	0	106.8	A425	L423-A425 PolarHBondContact O-N 3.02Å; L423-A425 VanDerWaalsContact O-N 3.15Å
424	A	24.1	Very low	24.3	Very low	107 Å²	107	143.9 Å²	143.9	88%	0.884	81%	0.813	S	S	*	*			trans	-58.8	108	162.8	0	0	0	0	0	107.9
425	A	26.1	Very low	24.6	Very low	87 Å²	87	144.4 Å²	144.4	72%	0.719	82%	0.815	S	S	*	*			trans	-125.4	113.8	161.3	0	0	0	0	0	105.4	L423 A427	L423-A425 PolarHBondContact O-N 3.02Å; L423-A425 VanDerWaalsContact O-N 3.15Å; A425-A427 PolarHBondContact O-N 3.5Å
426	S	23.9	Very low	24.9	Very low	122 Å²	122	144.8 Å²	144.8	85%	0.853	81%	0.809	S	S	*	*			trans	-48.9	100.6	171.1	-49.3	0	0	0	0	109	E428	S426-E428 PolarHBondContact O-N 2.85Å
427	A	29.2	Very low	25.4	Very low	84 Å²	84	143.7 Å²	143.7	69%	0.694	80%	0.797	S	S	*	*			trans	-81.4	102.5	164.5	0	0	0	0	0	105.5	A425 F429	A425-A427 PolarHBondContact O-N 3.5Å; A427-F429 PolarHBondContact O-N 2.73Å; A427-F429 VanDerWaalsContact O-N 3.12Å
428	E	24.6	Very low	25.5	Very low	181 Å²	181	143.6 Å²	143.6	85%	0.846	79%	0.792	S	S	*	*			trans	-52.3	114.9	167.7	-69.8	170.7	165.9	0	0	107.9	S426 P430	S426-E428 PolarHBondContact O-N 2.85Å; E428-P430 WeakPolarHBondContact O-CD 3.35Å
429	F	25.9	Very low	26	Very low	193 Å²	193	143.1 Å²	143.1	85%	0.846	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-63.5	123.3	168.7	-73.1	-88.7	0	0	0	107.2	A427 T431	A427-F429 PolarHBondContact O-N 2.73Å; A427-F429 VanDerWaalsContact O-N 3.12Å; F429-T431 PolarHBondContact O-N 2.95Å; F429-T431 VanDerWaalsContact O-N 3.12Å
430	P	28.9	Very low	26.3	Very low	126 Å²	126	140.6 Å²	140.6	82%	0.818	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-60.1	121.3	174.3	-17.9	30	0	0	0	108.4	E428	E428-P430 WeakPolarHBondContact O-CD 3.35Å
431	T	24.9	Very low	26.7	Very low	121 Å²	121	138 Å²	138	74%	0.742	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-54.9	140.6	171.7	44	0	0	0	0	110.2	F429 E433	F429-T431 PolarHBondContact O-N 2.95Å; F429-T431 VanDerWaalsContact O-N 3.12Å; T431-E433 PolarHBondContact O-N 3.26Å
432	E	27.4	Very low	27.5	Very low	200 Å²	200	137.5 Å²	137.5	94%	0.935	77%	0.766	S	S	*	*			trans	-41.4	86.2	177	-61.5	167.5	174.6	0	0	113.2
433	E	27	Very low	28.6	Very low	167 Å²	167	137.8 Å²	137.8	78%	0.78	75%	0.754	S	S	*	*			trans	-97.7	115	155.2	-73.5	-174.6	173.1	0	0	105.9	T431 I435	T431-E433 PolarHBondContact O-N 3.26Å; E433-I435 VanDerWaalsContact C-N 3.34Å; E433-I435 WeakPolarHBondContact O-CG1 3.32Å; E433-I435 PolarHBondContact O-N 2.78Å
434	E	27.2	Very low	29.7	Very low	181 Å²	181	133 Å²	133	85%	0.846	74%	0.735	S	S	*	*			trans	-48.4	98.5	170.6	-80.7	179.1	133.8	0	0	109.1	I436	E434-I436 PolarHBondContact O-N 2.91Å
435	I	27.4	Very low	30.8	Very low	143 Å²	143	134 Å²	134	73%	0.733	72%	0.721	S	S	*	*			trans	-73.9	89.4	169.5	-50.4	-178.2	0	0	0	105.7	E433 I437	E433-I435 VanDerWaalsContact C-N 3.34Å; E433-I435 WeakPolarHBondContact O-CG1 3.32Å; E433-I435 PolarHBondContact O-N 2.78Å; I435-I437 HydrophobicContact CB-CG1 4.35Å; I435-I437 HydrophobicContact CG2-CD1 4.08Å; I435-I437 HydrophobicContact CG2-CG1 3.44Å; I435-I437 VanDerWaalsContact CG2-CG1 3.44Å; I435-I437 PolarHBondContact O-N 3.09Å
436	I	26.7	Very low	31.9	Very low	132 Å²	132	134.5 Å²	134.5	68%	0.677	71%	0.705	S	S	*	*			trans	-63.5	90.7	161.5	-59.9	174.6	0	0	0	105.8	E434 D438	E434-I436 PolarHBondContact O-N 2.91Å; I436-D438 PolarHBondContact O-N 3.44Å
437	I	30.1	Very low	32.9	Very low	94 Å²	94	133.6 Å²	133.6	48%	0.482	69%	0.688	S	S	.	*			trans	-82	97.5	167.6	-56.3	-177.6	0	0	0	106.2	I435 D439	I435-I437 HydrophobicContact CB-CG1 4.35Å; I435-I437 HydrophobicContact CG2-CD1 4.08Å; I435-I437 HydrophobicContact CG2-CG1 3.44Å; I435-I437 VanDerWaalsContact CG2-CG1 3.44Å; I435-I437 PolarHBondContact O-N 3.09Å; I437-D439 PolarHBondContact O-N 3.3Å
438	D	25.9	Very low	34	Very low	141 Å²	141	136.4 Å²	136.4	75%	0.754	68%	0.684	S	S	*	*			trans	-63	84.9	162.2	-81.8	-30.4	0	0	0	108.8	I436 D440	I436-D438 PolarHBondContact O-N 3.44Å; D438-D440 PolarHBondContact O-N 2.69Å; D438-D440 VanDerWaalsContact O-N 3.09Å
439	D	33.6	Very low	35.2	Very low	99 Å²	99	133.3 Å²	133.3	53%	0.529	67%	0.67	S	S	.	*			trans	-83.1	66.8	169.4	-100.1	-6.1	0	0	0	109.5	I437 F441	I437-D439 PolarHBondContact O-N 3.3Å; D439-F441 VanDerWaalsContact C-N 3.32Å; D439-F441 PolarHBondContact O-N 2.94Å
440	D	27.4	Very low	36.5	Very low	158 Å²	158	128.1 Å²	128.1	85%	0.845	65%	0.65	S	S	*	*			trans	-85.1	70.2	170.5	-119.8	9.7	0	0	0	109.2	D438	D438-D440 PolarHBondContact O-N 2.69Å; D438-D440 VanDerWaalsContact O-N 3.09Å
441	F	31.1	Very low	37.5	Very low	192 Å²	192	125.9 Å²	125.9	84%	0.842	64%	0.637	S	S	*	*			trans	-98.6	93.7	168.2	-132	-91.7	0	0	0	110.2	D439 D443	D439-F441 VanDerWaalsContact C-N 3.32Å; D439-F441 PolarHBondContact O-N 2.94Å; F441-D443 PolarHBondContact O-N 3.2Å
442	T	38.3	Very low	38.7	Very low	96 Å²	96	123.2 Å²	123.2	59%	0.589	62%	0.616	S	S	*	*			trans	24.9	79.5	159.9	50.7	0	0	0	0	117.3	S444 E445	T442-S444 PolarHBondContact O-N 3.08Å; T442-E445 PolarHBondContact O-N 2.96Å
443	D	46.3	Very low	39.7	Very low	102 Å²	102	114.9 Å²	114.9	55%	0.545	58%	0.582	S	S	.	*	H	α-helix	trans	-53.2	-16.1	171.6	-155.3	25.7	0	0	0	114.1	F441 E445 Q447	F441-D443 PolarHBondContact O-N 3.2Å; D443-E445 PolarHBondContact O-N 3.45Å; D443-Q447 VanDerWaalsContact O-CG 3.29Å; D443-Q447 WeakPolarHBondContact O-CG 3.49Å; D443-Q447 PolarHBondContact O-N 2.84Å; D443-Q447 PolarHBondContact OD2-NE2 2.83Å
444	S	48.3	Very low	41	Very low	68 Å²	68	111 Å²	111	48%	0.476	57%	0.566	S	S	.	*	H	α-helix	trans	-68.5	-33.8	-176.7	-166.2	0	0	0	0	114.6	T442 K448	T442-S444 PolarHBondContact O-N 3.08Å; S444-K448 WeakPolarHBondContact O-CG 3.38Å; S444-K448 PolarHBondContact O-N 2.93Å
445	E	47.8	Very low	42.3	Very low	127 Å²	127	107.9 Å²	107.9	59%	0.593	55%	0.546	S	S	*	.	H	α-helix	trans	-83.4	-38.1	-174	-165.3	164.2	-171.7	0	0	111.9	T442 D443 K448 Q449	T442-E445 PolarHBondContact O-N 2.96Å; D443-E445 PolarHBondContact O-N 3.45Å; E445-K448 PolarHBondContact O-N 2.99Å; E445-Q449 WeakPolarHBondContact O-CG 3.47Å; E445-Q449 PolarHBondContact O-N 3.23Å
446	Y	48.8	Very low	43.4	Very low	97 Å²	97	108.1 Å²	108.1	38%	0.38	54%	0.538	S	S	.	.	H	α-helix	trans	-63.6	-44.3	174	-178.1	-99.7	0	0	0	111.6	N333 K448 Q449 L450	N333-Y446 HydrophobicContact CB-CE1 4.47Å; N333-Y446 HydrophobicContact CB-CE2 3.79Å; N333-Y446 WeakPolarHBondContact CB-OH 3.47Å; N333-Y446 PolarHBondContact ND2-OH 3.42Å; Y446-K448 VanDerWaalsContact C-N 3.31Å; Y446-K448 PolarHBondContact O-N 3.36Å; Y446-Q449 PolarHBondContact O-N 3.42Å; Y446-L450 HydrophobicContact CE1-CD2 4.43Å; Y446-L450 WeakPolarHBondContact O-CB 3.25Å; Y446-L450 PolarHBondContact O-N 2.7Å
447	Q	45.4	Very low	44.6	Very low	104 Å²	104	103 Å²	103	49%	0.486	51%	0.514	S	S	.	.	H	α-helix	trans	-60.9	-39.4	175.9	-72.9	176.8	1.4	0	0	112.1	D443 S451	D443-Q447 VanDerWaalsContact O-CG 3.29Å; D443-Q447 WeakPolarHBondContact O-CG 3.49Å; D443-Q447 PolarHBondContact O-N 2.84Å; D443-Q447 PolarHBondContact OD2-NE2 2.83Å; Q447-S451 WeakPolarHBondContact O-CB 3.1Å; Q447-S451 PolarHBondContact O-N 2.89Å; Q447-S451 PolarHBondContact O-OG 2.94Å
448	K	51.8	Low	45.6	Very low	142 Å²	142	101.8 Å²	101.8	62%	0.617	51%	0.508	S	S	*	.	H	α-helix	trans	-66.6	-42.5	175.5	-77.9	177.2	-175.9	176.2	0	112.4	S444 E445 Y446 S451 E452	S444-K448 WeakPolarHBondContact O-CG 3.38Å; S444-K448 PolarHBondContact O-N 2.93Å; E445-K448 PolarHBondContact O-N 2.99Å; Y446-K448 VanDerWaalsContact C-N 3.31Å; Y446-K448 PolarHBondContact O-N 3.36Å; K448-S451 PolarHBondContact O-N 3.23Å; K448-E452 WeakPolarHBondContact O-CB 3.3Å; K448-E452 PolarHBondContact O-N 3.48Å
449	Q	50.2	Low	46.8	Very low	117 Å²	117	99.7 Å²	99.7	55%	0.547	50%	0.496	S	S	.	.	H	α-helix	trans	-65.5	-42.7	178	-72.1	177.5	13.5	0	0	111.4	E445 Y446 E452 A453	E445-Q449 WeakPolarHBondContact O-CG 3.47Å; E445-Q449 PolarHBondContact O-N 3.23Å; Y446-Q449 PolarHBondContact O-N 3.42Å; Q449-E452 PolarHBondContact O-N 3.32Å; Q449-A453 VanDerWaalsContact O-CB 3.26Å; Q449-A453 WeakPolarHBondContact O-CB 3.2Å; Q449-A453 PolarHBondContact O-N 2.89Å
450	L	51.5	Low	47.5	Very low	84 Å²	84	101.7 Å²	101.7	44%	0.44	50%	0.503	S	S	.	.	H	α-helix	trans	-62.5	-43.2	174.6	-177.4	63.7	0	0	0	111.8	Y446 E452 A453 I454	Y446-L450 HydrophobicContact CE1-CD2 4.43Å; Y446-L450 WeakPolarHBondContact O-CB 3.25Å; Y446-L450 PolarHBondContact O-N 2.7Å; L450-E452 VanDerWaalsContact C-N 3.33Å; L450-E452 PolarHBondContact O-N 3.03Å; L450-A453 PolarHBondContact O-N 3.12Å; L450-I454 HydrophobicContact CD1-CD1 4.24Å; L450-I454 HydrophobicContact CG-CD1 4.05Å; L450-I454 VanDerWaalsContact O-CG1 3.26Å; L450-I454 WeakPolarHBondContact O-CG1 3.19Å; L450-I454 PolarHBondContact O-N 2.92Å
451	S	50	Low	48.4	Very low	78 Å²	78	100.2 Å²	100.2	55%	0.545	49%	0.494	S	S	.	.	H	α-helix	trans	-62	-41.5	176.7	-55	0	0	0	0	111.9	Q447 K448 R455	Q447-S451 WeakPolarHBondContact O-CB 3.1Å; Q447-S451 PolarHBondContact O-N 2.89Å; Q447-S451 PolarHBondContact O-OG 2.94Å; K448-S451 PolarHBondContact O-N 3.23Å; S451-R455 WeakPolarHBondContact O-CB 3.33Å; S451-R455 PolarHBondContact O-N 2.93Å
452	E	50.2	Low	49.2	Very low	65 Å²	65	94.2 Å²	94.2	30%	0.304	48%	0.477	S	S	.	.	H	α-helix	trans	-72.9	-34.7	179.5	178	60.1	-164.7	0	0	112.2	K448 Q449 L450 R455 R456	K448-E452 WeakPolarHBondContact O-CB 3.3Å; K448-E452 PolarHBondContact O-N 3.48Å; Q449-E452 PolarHBondContact O-N 3.32Å; L450-E452 VanDerWaalsContact C-N 3.33Å; L450-E452 PolarHBondContact O-N 3.03Å; E452-R455 WeakPolarHBondContact O-CB 3.32Å; E452-R455 PolarHBondContact O-N 3.35Å; E452-R455 IonicContact OE1-CZ 3.51Å; E452-R455 IonicContact OE1-NE 3.53Å; E452-R455 IonicContact OE1-NH2 2.69Å; E452-R455 PolarHBondContact OE1-NH2 3.18Å; E452-R455 IonicContact OE2-CZ 3.5Å; E452-R455 IonicContact OE2-NE 2.76Å; E452-R455 PolarHBondContact OE2-NE 3.42Å; E452-R455 IonicContact OE2-NH2 3.76Å; E452-R455 PolarHBondContact OE2-NH2 2.84Å; E452-R456 WeakPolarHBondContact O-CG 3.13Å; E452-R456 PolarHBondContact O-N 3.23Å; E452-R456 IonicContact OE1-CZ 3.4Å; E452-R456 IonicContact OE1-NE 3.54Å; E452-R456 PolarHBondContact OE1-NE 3.42Å; E452-R456 IonicContact OE1-NH2 3.73Å
453	A	49.5	Very low	49.2	Very low	26 Å²	26	93.1 Å²	93.1	22%	0.215	48%	0.484	C	S	.	.	H	α-helix	trans	-64.2	-53.4	174.6	0	0	0	0	0	110.7	E34 Q449 L450 R455 R456 S457	E34-A453 WeakPolarHBondContact OE2-CB 3.46Å; Q449-A453 VanDerWaalsContact O-CB 3.26Å; Q449-A453 WeakPolarHBondContact O-CB 3.2Å; Q449-A453 PolarHBondContact O-N 2.89Å; L450-A453 PolarHBondContact O-N 3.12Å; A453-R455 PolarHBondContact O-N 3.24Å; A453-R456 WeakPolarHBondContact O-CA 3.44Å; A453-R456 WeakPolarHBondContact O-CB 3.4Å; A453-R456 PolarHBondContact O-N 2.93Å; A453-S457 PolarHBondContact O-N 2.96Å
454	I	53.9	Low	48.8	Very low	86 Å²	86	95 Å²	95	44%	0.441	49%	0.487	S	S	.	.	H	α-helix	trans	-53.2	-43.2	173.8	-66.8	166.1	0	0	0	110.8	L450 R456 L458	L450-I454 HydrophobicContact CD1-CD1 4.24Å; L450-I454 HydrophobicContact CG-CD1 4.05Å; L450-I454 VanDerWaalsContact O-CG1 3.26Å; L450-I454 WeakPolarHBondContact O-CG1 3.19Å; L450-I454 PolarHBondContact O-N 2.92Å; I454-R456 VanDerWaalsContact C-N 3.33Å; I454-R456 PolarHBondContact O-N 2.88Å; I454-L458 HydrophobicContact CG2-CD1 3.74Å; I454-L458 HydrophobicContact CG2-CG 4.37Å; I454-L458 WeakPolarHBondContact O-CB 3.36Å; I454-L458 VanDerWaalsContact O-CG 3.23Å; I454-L458 WeakPolarHBondContact O-CG 3.29Å; I454-L458 PolarHBondContact O-N 3.03Å
455	R	53.8	Low	48.3	Very low	115 Å²	115	100 Å²	100	43%	0.434	51%	0.509	S	S	.	.	H	α-helix	trans	-58.7	-43.7	176.2	-168.1	-173	73.4	79.6	1.1	111.8	S451 E452 A453 L459	S451-R455 WeakPolarHBondContact O-CB 3.33Å; S451-R455 PolarHBondContact O-N 2.93Å; E452-R455 WeakPolarHBondContact O-CB 3.32Å; E452-R455 PolarHBondContact O-N 3.35Å; E452-R455 IonicContact OE1-CZ 3.51Å; E452-R455 IonicContact OE1-NE 3.53Å; E452-R455 IonicContact OE1-NH2 2.69Å; E452-R455 PolarHBondContact OE1-NH2 3.18Å; E452-R455 IonicContact OE2-CZ 3.5Å; E452-R455 IonicContact OE2-NE 2.76Å; E452-R455 PolarHBondContact OE2-NE 3.42Å; E452-R455 IonicContact OE2-NH2 3.76Å; E452-R455 PolarHBondContact OE2-NH2 2.84Å; A453-R455 PolarHBondContact O-N 3.24Å; R455-L459 HydrophobicContact CG-CD1 4.13Å; R455-L459 WeakPolarHBondContact O-CD1 3.14Å; R455-L459 PolarHBondContact O-N 3.4Å; R455-L459 VanDerWaalsContact O-N 3.14Å
456	R	51.7	Low	48	Very low	147 Å²	147	98.1 Å²	98.1	56%	0.555	50%	0.502	S	S	*	.	H	α-helix	trans	-70.2	-45.7	180	-73.1	178.5	-177	-155.7	1.4	112.5	E452 A453 I454 L458 L459 E460	E452-R456 WeakPolarHBondContact O-CG 3.13Å; E452-R456 PolarHBondContact O-N 3.23Å; E452-R456 IonicContact OE1-CZ 3.4Å; E452-R456 IonicContact OE1-NE 3.54Å; E452-R456 PolarHBondContact OE1-NE 3.42Å; E452-R456 IonicContact OE1-NH2 3.73Å; A453-R456 WeakPolarHBondContact O-CA 3.44Å; A453-R456 WeakPolarHBondContact O-CB 3.4Å; A453-R456 PolarHBondContact O-N 2.93Å; I454-R456 VanDerWaalsContact C-N 3.33Å; I454-R456 PolarHBondContact O-N 2.88Å; R456-L458 VanDerWaalsContact C-N 3.29Å; R456-L458 PolarHBondContact O-N 2.96Å; R456-L459 PolarHBondContact O-N 3.07Å; R456-L459 VanDerWaalsContact O-N 3.17Å; R456-E460 PolarHBondContact O-N 3.3Å
457	S	52.2	Low	47.5	Very low	24 Å²	24	98.7 Å²	98.7	17%	0.168	52%	0.516	C	S	.	.	H	α-helix	trans	-54.6	-44.8	173	-95.9	0	0	0	0	112.6	E34 A453 L459 E460 N461	E34-S457 WeakPolarHBondContact CG-OG 3.42Å; E34-S457 WeakPolarHBondContact OE1-CB 3.49Å; E34-S457 PolarHBondContact OE1-OG 3.42Å; A453-S457 PolarHBondContact O-N 2.96Å; S457-L459 VanDerWaalsContact C-N 3.33Å; S457-L459 PolarHBondContact O-N 3.39Å; S457-E460 PolarHBondContact O-N 3.08Å; S457-N461 PolarHBondContact O-N 2.79Å
458	L	49.4	Very low	47.6	Very low	69 Å²	69	99.3 Å²	99.3	36%	0.361	53%	0.527	S	S	.	.	H	α-helix	trans	-70.5	-31.2	-178.4	-69.3	173	0	0	0	112.4	I454 R456 F479	I454-L458 HydrophobicContact CG2-CD1 3.74Å; I454-L458 HydrophobicContact CG2-CG 4.37Å; I454-L458 WeakPolarHBondContact O-CB 3.36Å; I454-L458 VanDerWaalsContact O-CG 3.23Å; I454-L458 WeakPolarHBondContact O-CG 3.29Å; I454-L458 PolarHBondContact O-N 3.03Å; R456-L458 VanDerWaalsContact C-N 3.29Å; R456-L458 PolarHBondContact O-N 2.96Å; L458-F479 HydrophobicContact CB-CZ 4.32Å; L458-F479 HydrophobicContact CD1-CE1 4.44Å; L458-F479 HydrophobicContact CD1-CZ 4.4Å
459	L	51.4	Low	47.2	Very low	97 Å²	97	99.5 Å²	99.5	51%	0.508	54%	0.535	S	S	.	.	H	α-helix	trans	-69.1	-42.5	172.1	-89.8	151	0	0	0	111.7	R455 R456 S457 S462	R455-L459 HydrophobicContact CG-CD1 4.13Å; R455-L459 WeakPolarHBondContact O-CD1 3.14Å; R455-L459 PolarHBondContact O-N 3.4Å; R455-L459 VanDerWaalsContact O-N 3.14Å; R456-L459 PolarHBondContact O-N 3.07Å; R456-L459 VanDerWaalsContact O-N 3.17Å; S457-L459 VanDerWaalsContact C-N 3.33Å; S457-L459 PolarHBondContact O-N 3.39Å; L459-S462 PolarHBondContact O-N 2.96Å; L459-S462 PolarHBondContact O-OG 2.86Å
460	E	49.2	Very low	47	Very low	142 Å²	142	96.7 Å²	96.7	66%	0.664	53%	0.528	S	S	*	.	H	α-helix	trans	-64.7	-40.7	177.8	-74.4	178.8	-176.8	0	0	112.1	R456 S457 S462 G463	R456-E460 PolarHBondContact O-N 3.3Å; S457-E460 PolarHBondContact O-N 3.08Å; E460-S462 PolarHBondContact O-N 2.67Å; E460-S462 VanDerWaalsContact O-N 3.13Å; E460-G463 PolarHBondContact O-N 3.4Å
461	N	45.7	Very low	46.7	Very low	126 Å²	126	99.7 Å²	99.7	67%	0.674	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.1	175.4	-77.5	-4.2	0	0	0	114	S457 G463	S457-N461 PolarHBondContact O-N 2.79Å; N461-G463 VanDerWaalsContact C-N 3.27Å; N461-G463 PolarHBondContact O-N 3.02Å
462	S	47	Very low	46.5	Very low	67 Å²	67	104 Å²	104	47%	0.469	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81	-2.7	-179.7	76.7	0	0	0	0	114.1	L459 E460 K464	L459-S462 PolarHBondContact O-N 2.96Å; L459-S462 PolarHBondContact O-OG 2.86Å; E460-S462 PolarHBondContact O-N 2.67Å; E460-S462 VanDerWaalsContact O-N 3.13Å; S462-K464 WeakPolarHBondContact O-CG 3.22Å; S462-K464 PolarHBondContact O-N 3.35Å
463	G	39.5	Very low	46.4	Very low	72 Å²	72	106 Å²	106	74%	0.742	58%	0.58	S	S	*	*			trans	55.8	20.1	160.6	0	0	0	0	0	116.5	E460 N461	E460-G463 PolarHBondContact O-N 3.4Å; N461-G463 VanDerWaalsContact C-N 3.27Å; N461-G463 PolarHBondContact O-N 3.02Å
464	K	38.4	Very low	46.4	Very low	142 Å²	142	108.4 Å²	108.4	62%	0.617	59%	0.592	S	S	*	*			trans	-109.5	107.4	-178.9	-74.4	-178.8	-175.7	172.6	0	109.7	S462 L466	S462-K464 WeakPolarHBondContact O-CG 3.22Å; S462-K464 PolarHBondContact O-N 3.35Å; K464-L466 HydrophobicContact CB-CD1 3.46Å; K464-L466 VanDerWaalsContact CB-CD1 3.46Å; K464-L466 HydrophobicContact CB-CG 3.74Å; K464-L466 HydrophobicContact CD-CD1 3.81Å; K464-L466 HydrophobicContact CD-CG 4.45Å; K464-L466 HydrophobicContact CG-CD1 4.29Å; K464-L466 PolarHBondContact O-N 2.84Å
465	D	37.9	Very low	46.1	Very low	173 Å²	173	110.3 Å²	110.3	93%	0.925	60%	0.603	S	S	*	*			trans	-59.4	80.2	158.5	-76.6	-34.5	0	0	0	108.7
466	L	40	Very low	45.9	Very low	87 Å²	87	108.6 Å²	108.6	46%	0.455	61%	0.605	S	S	.	*			trans	-95.2	102.3	178.8	-79.2	152.5	0	0	0	108.7	K464	K464-L466 HydrophobicContact CB-CD1 3.46Å; K464-L466 VanDerWaalsContact CB-CD1 3.46Å; K464-L466 HydrophobicContact CB-CG 3.74Å; K464-L466 HydrophobicContact CD-CD1 3.81Å; K464-L466 HydrophobicContact CD-CG 4.45Å; K464-L466 HydrophobicContact CG-CD1 4.29Å; K464-L466 PolarHBondContact O-N 2.84Å
467	T	38.4	Very low	45.7	Very low	109 Å²	109	104.7 Å²	104.7	67%	0.669	60%	0.604	S	S	*	*			trans	-51.2	145.6	159.5	52.8	0	0	0	0	110	D469 S470	T467-D469 PolarHBondContact O-N 2.71Å; T467-S470 PolarHBondContact O-N 3.04Å
468	T	47.7	Very low	45.6	Very low	117 Å²	117	106.8 Å²	106.8	72%	0.718	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-53.3	-12.1	-169.8	50.2	0	0	0	0	116.7
469	D	43.2	Very low	45.5	Very low	147 Å²	147	108.5 Å²	108.5	79%	0.786	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-95.7	11.6	-172.9	-66.4	-1.6	0	0	0	114.1	T467	T467-D469 PolarHBondContact O-N 2.71Å
470	S	47.4	Very low	45.5	Very low	58 Å²	58	109.9 Å²	109.9	41%	0.406	63%	0.626	S	S	.	*	G	3₁₀ helix	trans	-120	18.3	175.8	-64.5	0	0	0	0	114.7	T467 D472	T467-S470 PolarHBondContact O-N 3.04Å; S470-D472 PolarHBondContact O-N 2.89Å; S470-D472 VanDerWaalsContact O-N 3.15Å
471	M	44.5	Very low	45.8	Very low	146 Å²	146	107 Å²	107	72%	0.719	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-17.3	179.9	-79.7	-95.3	140.2	0	0	114.8
472	D	46.1	Very low	46.3	Very low	169 Å²	169	104.9 Å²	104.9	90%	0.904	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	10	-171.1	-78.2	-11.6	0	0	0	116.2	S470	S470-D472 PolarHBondContact O-N 2.89Å; S470-D472 VanDerWaalsContact O-N 3.15Å
473	S	46.7	Very low	47.2	Very low	106 Å²	106	103.3 Å²	103.3	74%	0.741	60%	0.602	S	S	*	*	S	Bend	trans	-131	5	178.2	80.4	0	0	0	0	117.4	D475	S473-D475 PolarHBondContact O-N 2.79Å
474	V	50.2	Low	48.8	Very low	78 Å²	78	102.7 Å²	102.7	47%	0.473	59%	0.59	S	S	.	*	S	Bend	trans	-81.8	111.7	162.9	-83.2	0	0	0	0	107.8	V476	V474-V476 WeakPolarHBondContact O-CG2 3.01Å; V474-V476 PolarHBondContact O-N 3.01Å
475	D	48	Very low	50.6	Low	125 Å²	125	98.9 Å²	98.9	67%	0.668	58%	0.581	S	S	*	*			trans	-71.3	77.4	-179	-148.2	-10.6	0	0	0	109.2	S473 A477 S478 F479	S473-D475 PolarHBondContact O-N 2.79Å; D475-A477 PolarHBondContact O-N 2.82Å; D475-A477 VanDerWaalsContact O-N 3.11Å; D475-S478 WeakPolarHBondContact O-CB 3.44Å; D475-S478 PolarHBondContact O-N 3.37Å; D475-F479 PolarHBondContact O-N 3.43Å
476	V	48.5	Very low	52.4	Low	79 Å²	79	93.4 Å²	93.4	48%	0.479	55%	0.553	S	S	.	*	H	α-helix	trans	-57.1	-31.8	-171.7	-146.4	0	0	0	0	110.7	V474 S478 F479 F480	V474-V476 WeakPolarHBondContact O-CG2 3.01Å; V474-V476 PolarHBondContact O-N 3.01Å; V476-S478 PolarHBondContact O-N 2.89Å; V476-F479 PolarHBondContact O-N 3.39Å; V476-F480 HydrophobicContact CB-CD2 4.33Å; V476-F480 HydrophobicContact CB-CE2 4.21Å; V476-F480 HydrophobicContact CG1-CD2 3.85Å; V476-F480 HydrophobicContact CG1-CE2 3.37Å; V476-F480 HydrophobicContact CG1-CZ 4.27Å; V476-F480 WeakPolarHBondContact O-CD2 3.47Å; V476-F480 PolarHBondContact O-N 3.19Å
477	A	48.7	Very low	54.1	Low	66 Å²	66	94.1 Å²	94.1	55%	0.545	56%	0.557	S	S	.	*	H	α-helix	trans	-63.3	-37.9	176.3	0	0	0	0	0	113	D475 S481	D475-A477 PolarHBondContact O-N 2.82Å; D475-A477 VanDerWaalsContact O-N 3.11Å; A477-S481 VanDerWaalsContact O-CB 3.3Å; A477-S481 WeakPolarHBondContact O-CB 3.44Å; A477-S481 PolarHBondContact O-N 2.82Å
478	S	49.9	Very low	56.2	Low	67 Å²	67	92 Å²	92	47%	0.469	55%	0.547	S	S	.	.	H	α-helix	trans	-65.7	-42.6	174.9	161	0	0	0	0	111.1	D475 V476 S481 T482	D475-S478 WeakPolarHBondContact O-CB 3.44Å; D475-S478 PolarHBondContact O-N 3.37Å; V476-S478 PolarHBondContact O-N 2.89Å; S478-S481 PolarHBondContact O-N 3.27Å; S478-T482 PolarHBondContact O-N 3.46Å; S478-T482 PolarHBondContact O-OG1 3.47Å; S478-T482 VanDerWaalsContact O-OG1 3.09Å
479	F	47.6	Very low	57.9	Low	106 Å²	106	90.9 Å²	90.9	47%	0.465	53%	0.534	S	S	.	.	H	α-helix	trans	-65	-46.2	178.1	-175.8	-97.9	0	0	0	111.6	L458 D475 V476 S481 T482 S483	L458-F479 HydrophobicContact CB-CZ 4.32Å; L458-F479 HydrophobicContact CD1-CE1 4.44Å; L458-F479 HydrophobicContact CD1-CZ 4.4Å; D475-F479 PolarHBondContact O-N 3.43Å; V476-F479 PolarHBondContact O-N 3.39Å; F479-S481 VanDerWaalsContact C-N 3.31Å; F479-S481 PolarHBondContact O-N 3.37Å; F479-T482 PolarHBondContact O-N 3.21Å; F479-S483 PolarHBondContact O-N 2.8Å
480	F	51.9	Low	59.8	Low	126 Å²	126	86 Å²	86	55%	0.553	51%	0.507	S	S	*	.	H	α-helix	trans	-62	-37.9	174.6	-75.7	-61.9	0	0	0	112.4	V476 A484	V476-F480 HydrophobicContact CB-CD2 4.33Å; V476-F480 HydrophobicContact CB-CE2 4.21Å; V476-F480 HydrophobicContact CG1-CD2 3.85Å; V476-F480 HydrophobicContact CG1-CE2 3.37Å; V476-F480 HydrophobicContact CG1-CZ 4.27Å; V476-F480 WeakPolarHBondContact O-CD2 3.47Å; V476-F480 PolarHBondContact O-N 3.19Å; F480-A484 VanDerWaalsContact O-CB 3.25Å; F480-A484 WeakPolarHBondContact O-CB 3.39Å; F480-A484 PolarHBondContact O-N 3.28Å
481	S	54.5	Low	61.6	Low	82 Å²	82	88.3 Å²	88.3	57%	0.573	51%	0.511	S	S	*	.	H	α-helix	trans	-65.7	-41.1	176.2	-171.2	0	0	0	0	112	A477 S478 F479 S485	A477-S481 VanDerWaalsContact O-CB 3.3Å; A477-S481 WeakPolarHBondContact O-CB 3.44Å; A477-S481 PolarHBondContact O-N 2.82Å; S478-S481 PolarHBondContact O-N 3.27Å; F479-S481 VanDerWaalsContact C-N 3.31Å; F479-S481 PolarHBondContact O-N 3.37Å; S481-S485 PolarHBondContact O-N 3.24Å; S481-S485 VanDerWaalsContact O-N 3.12Å; S481-S485 PolarHBondContact O-OG 3.32Å
482	T	57.1	Low	63.6	Low	80 Å²	80	87.1 Å²	87.1	49%	0.491	50%	0.504	S	S	.	.	H	α-helix	trans	-67.6	-47.3	176.2	-55.7	0	0	0	0	110.9	S478 F479 A484 S485 V486	S478-T482 PolarHBondContact O-N 3.46Å; S478-T482 PolarHBondContact O-OG1 3.47Å; S478-T482 VanDerWaalsContact O-OG1 3.09Å; F479-T482 PolarHBondContact O-N 3.21Å; T482-A484 VanDerWaalsContact C-N 3.33Å; T482-A484 PolarHBondContact O-N 3.17Å; T482-S485 PolarHBondContact O-N 3.25Å; T482-S485 PolarHBondContact O-OG 3.31Å; T482-V486 HydrophobicContact CG2-CG2 4.48Å; T482-V486 WeakPolarHBondContact O-CG2 3.49Å; T482-V486 PolarHBondContact O-N 3.49Å
483	S	64.1	Low	65.6	Low	35 Å²	35	79.1 Å²	79.1	25%	0.245	46%	0.461	C	S	.	.	H	α-helix	trans	-58.9	-41.9	175.3	-85.1	0	0	0	0	112.4	F479 S485 V486 L487	F479-S483 PolarHBondContact O-N 2.8Å; S483-S485 VanDerWaalsContact C-N 3.35Å; S483-S485 PolarHBondContact O-N 3.16Å; S483-V486 PolarHBondContact O-N 2.84Å; S483-L487 WeakPolarHBondContact O-CB 3.32Å; S483-L487 WeakPolarHBondContact O-CG 3.46Å; S483-L487 PolarHBondContact O-N 2.8Å
484	A	73.8	Confident	67.6	Low	58 Å²	58	75.4 Å²	75.4	48%	0.479	43%	0.432	S	S	.	.	H	α-helix	trans	-62.2	-41.7	177.3	0	0	0	0	0	112.1	F480 T482 L487 S488	F480-A484 VanDerWaalsContact O-CB 3.25Å; F480-A484 WeakPolarHBondContact O-CB 3.39Å; F480-A484 PolarHBondContact O-N 3.28Å; T482-A484 VanDerWaalsContact C-N 3.33Å; T482-A484 PolarHBondContact O-N 3.17Å; A484-L487 PolarHBondContact O-N 3.4Å; A484-S488 WeakPolarHBondContact O-CB 3.4Å; A484-S488 PolarHBondContact O-N 3.31Å; A484-S488 PolarHBondContact O-OG 3.27Å
485	S	76.3	Confident	69.4	Low	62 Å²	62	76.9 Å²	76.9	43%	0.434	44%	0.437	S	S	.	.	H	α-helix	trans	-64.3	-43	176.3	65.1	0	0	0	0	112.6	S481 T482 S483 S488 E489	S481-S485 PolarHBondContact O-N 3.24Å; S481-S485 VanDerWaalsContact O-N 3.12Å; S481-S485 PolarHBondContact O-OG 3.32Å; T482-S485 PolarHBondContact O-N 3.25Å; T482-S485 PolarHBondContact O-OG 3.31Å; S483-S485 VanDerWaalsContact C-N 3.35Å; S483-S485 PolarHBondContact O-N 3.16Å; S485-S488 WeakPolarHBondContact CA-OG 3.48Å; S485-S488 PolarHBondContact O-N 3.49Å; S485-S488 PolarHBondContact O-OG 2.97Å; S485-E489 PolarHBondContact O-N 3.01Å
486	V	75.6	Confident	71.3	Confident	58 Å²	58	76.5 Å²	76.5	35%	0.352	43%	0.431	S	S	.	.	H	α-helix	trans	-65.4	-43.4	177.8	173.7	0	0	0	0	110.8	T482 S483 S488 E489 I490	T482-V486 HydrophobicContact CG2-CG2 4.48Å; T482-V486 WeakPolarHBondContact O-CG2 3.49Å; T482-V486 PolarHBondContact O-N 3.49Å; S483-V486 PolarHBondContact O-N 2.84Å; V486-S488 VanDerWaalsContact C-N 3.34Å; V486-S488 PolarHBondContact O-N 3.43Å; V486-E489 PolarHBondContact O-N 2.89Å; V486-I490 HydrophobicContact CG1-CD1 3.9Å; V486-I490 VanDerWaalsContact O-CG1 3.31Å; V486-I490 WeakPolarHBondContact O-CG1 3.14Å; V486-I490 PolarHBondContact O-N 3.38Å
487	L	77.1	Confident	73.1	Confident	103 Å²	103	72.9 Å²	72.9	54%	0.539	41%	0.409	S	S	.	.	H	α-helix	trans	-62.6	-40.8	176.4	-71	173	0	0	0	111.8	S483 A484 E489 I490 E491	S483-L487 WeakPolarHBondContact O-CB 3.32Å; S483-L487 WeakPolarHBondContact O-CG 3.46Å; S483-L487 PolarHBondContact O-N 2.8Å; A484-L487 PolarHBondContact O-N 3.4Å; L487-E489 VanDerWaalsContact C-N 3.34Å; L487-E489 PolarHBondContact O-N 3.29Å; L487-I490 PolarHBondContact O-N 3.32Å; L487-E491 WeakPolarHBondContact O-CB 3.47Å; L487-E491 WeakPolarHBondContact O-CG 3.45Å; L487-E491 PolarHBondContact O-N 3.08Å
488	S	81.8	Confident	74.8	Confident	65 Å²	65	74 Å²	74	46%	0.455	40%	0.402	S	S	.	.	H	α-helix	trans	-64.7	-37.1	176.4	65.5	0	0	0	0	112.9	A484 S485 V486 E491 E492	A484-S488 WeakPolarHBondContact O-CB 3.4Å; A484-S488 PolarHBondContact O-N 3.31Å; A484-S488 PolarHBondContact O-OG 3.27Å; S485-S488 WeakPolarHBondContact CA-OG 3.48Å; S485-S488 PolarHBondContact O-N 3.49Å; S485-S488 PolarHBondContact O-OG 2.97Å; V486-S488 VanDerWaalsContact C-N 3.34Å; V486-S488 PolarHBondContact O-N 3.43Å; S488-E491 PolarHBondContact O-N 3.31Å; S488-E492 PolarHBondContact O-N 2.97Å
489	E	83.1	Confident	76.5	Confident	93 Å²	93	72.2 Å²	72.2	44%	0.435	39%	0.387	S	S	.	.	H	α-helix	trans	-67.8	-39.5	176.1	-169.4	177.1	-164.8	0	0	111.2	S485 V486 L487 N493 F498 L499	S485-E489 PolarHBondContact O-N 3.01Å; V486-E489 PolarHBondContact O-N 2.89Å; L487-E489 VanDerWaalsContact C-N 3.34Å; L487-E489 PolarHBondContact O-N 3.29Å; E489-N493 VanDerWaalsContact O-CB 3.28Å; E489-N493 WeakPolarHBondContact O-CB 3.48Å; E489-N493 PolarHBondContact O-N 2.87Å; E489-F498 HydrophobicContact CG-CE2 3.79Å; E489-F498 HydrophobicContact CG-CZ 3.68Å; E489-F498 WeakPolarHBondContact O-CZ 3.16Å; E489-L499 HydrophobicContact CG-CD2 4.15Å
490	I	82.1	Confident	78.1	Confident	44 Å²	44	70.3 Å²	70.3	23%	0.226	39%	0.385	C	S	.	.	H	α-helix	trans	-64.4	-46.9	174.1	-67.4	167.1	0	0	0	110.3	V486 L487 E492 N493 E494	V486-I490 HydrophobicContact CG1-CD1 3.9Å; V486-I490 VanDerWaalsContact O-CG1 3.31Å; V486-I490 WeakPolarHBondContact O-CG1 3.14Å; V486-I490 PolarHBondContact O-N 3.38Å; L487-I490 PolarHBondContact O-N 3.32Å; I490-E492 VanDerWaalsContact C-N 3.34Å; I490-E492 PolarHBondContact O-N 2.94Å; I490-N493 CarbonylContact O-C 3.56Å; I490-N493 WeakPolarHBondContact O-CA 3.22Å; I490-N493 WeakPolarHBondContact O-CB 3.14Å; I490-N493 PolarHBondContact O-N 3.31Å; I490-N493 VanDerWaalsContact O-N 3.08Å; I490-E494 HydrophobicContact CG2-CG 4.44Å; I490-E494 WeakPolarHBondContact O-CG 3.49Å; I490-E494 PolarHBondContact O-N 2.75Å
491	E	85.9	Confident	79.5	Confident	106 Å²	106	66.7 Å²	66.7	50%	0.495	37%	0.368	S	S	.	.	H	α-helix	trans	-60	-40.9	179.2	-76.7	178.6	168.8	0	0	113	L487 S488 E494	L487-E491 WeakPolarHBondContact O-CB 3.47Å; L487-E491 WeakPolarHBondContact O-CG 3.45Å; L487-E491 PolarHBondContact O-N 3.08Å; S488-E491 PolarHBondContact O-N 3.31Å; E491-E494 PolarHBondContact O-N 2.73Å
492	E	87.5	Confident	81.1	Confident	121 Å²	121	62.9 Å²	62.9	57%	0.565	34%	0.341	S	S	*	.	H	α-helix	trans	-67.9	-39.3	174.3	-168.9	-178.1	-179.1	0	0	110.7	S488 I490 E494 I495 E496 F498	S488-E492 PolarHBondContact O-N 2.97Å; I490-E492 VanDerWaalsContact C-N 3.34Å; I490-E492 PolarHBondContact O-N 2.94Å; E492-E494 VanDerWaalsContact C-N 3.29Å; E492-E494 PolarHBondContact O-N 3.32Å; E492-I495 PolarHBondContact O-N 3.48Å; E492-E496 PolarHBondContact O-N 3.42Å; E492-E496 VanDerWaalsContact O-N 3.09Å; E492-F498 HydrophobicContact CB-CE1 3.76Å; E492-F498 HydrophobicContact CB-CZ 4.29Å; E492-F498 HydrophobicContact CG-CD1 4.49Å; E492-F498 HydrophobicContact CG-CE1 3.7Å; E492-F498 HydrophobicContact CG-CZ 4.5Å
493	N	87.9	Confident	82.7	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-65.6	-32.6	177.3	-177.5	69.5	0	0	0	112.4	F340 E489 I490 I495 E496 G497 F498 L499 S502	F340-N493 VanDerWaalsContact CB-O 3.31Å; F340-N493 WeakPolarHBondContact CB-O 3.35Å; E489-N493 VanDerWaalsContact O-CB 3.28Å; E489-N493 WeakPolarHBondContact O-CB 3.48Å; E489-N493 PolarHBondContact O-N 2.87Å; I490-N493 CarbonylContact O-C 3.56Å; I490-N493 WeakPolarHBondContact O-CA 3.22Å; I490-N493 WeakPolarHBondContact O-CB 3.14Å; I490-N493 PolarHBondContact O-N 3.31Å; I490-N493 VanDerWaalsContact O-N 3.08Å; N493-I495 PolarHBondContact O-N 3.02Å; N493-E496 PolarHBondContact O-N 3.2Å; N493-G497 VanDerWaalsContact O-CA 3.26Å; N493-G497 WeakPolarHBondContact O-CA 3.27Å; N493-G497 PolarHBondContact O-N 3.47Å; N493-G497 WeakPolarHBondContact OD1-CA 3.45Å; N493-F498 VanDerWaalsContact CA-CE1 3.49Å; N493-F498 HydrophobicContact CB-CD1 4.24Å; N493-F498 HydrophobicContact CB-CE1 3.8Å; N493-F498 HydrophobicContact CB-CZ 4.03Å; N493-F498 VanDerWaalsContact N-CE1 3.28Å; N493-F498 PolarHBondContact OD1-N 3.31Å; N493-L499 HydrophobicContact CB-CB 4.36Å; N493-L499 HydrophobicContact CB-CD1 3.51Å; N493-L499 HydrophobicContact CB-CG 3.74Å; N493-L499 VanDerWaalsContact OD1-CB 3.25Å; N493-L499 WeakPolarHBondContact OD1-CB 3.37Å; N493-L499 WeakPolarHBondContact OD1-CG 3.29Å; N493-L499 PolarHBondContact OD1-N 2.63Å; N493-S502 PolarHBondContact ND2-OG 3.06Å; N493-S502 PolarHBondContact OD1-OG 3.5Å
494	E	88.9	Confident	84.1	Confident	29 Å²	29	60.1 Å²	60.1	14%	0.136	32%	0.317	C	S	.	.	H	α-helix	trans	-59	-21.3	177.3	-74	-176.2	-160.7	0	0	113.1	R336 P338 T339 F340 I490 E491 E492	R336-E494 VanDerWaalsContact CZ-CD 3.41Å; R336-E494 IonicContact CZ-OE1 3.63Å; R336-E494 IonicContact CZ-OE2 2.94Å; R336-E494 IonicContact NE-OE1 2.78Å; R336-E494 IonicContact NE-OE2 2.6Å; R336-E494 PolarHBondContact NE-OE2 3.29Å; R336-E494 IonicContact NH1-OE1 3.59Å; R336-E494 PolarHBondContact NH1-OE1 3.37Å; R336-E494 IonicContact NH1-OE2 2.75Å; R336-E494 PolarHBondContact NH1-OE2 3.12Å; R336-E494 IonicContact NH2-OE2 3.55Å; R336-E494 PolarHBondContact NH2-OE2 3.09Å; P338-E494 HydrophobicContact CB-CB 3.73Å; P338-E494 HydrophobicContact CB-CG 3.5Å; P338-E494 HydrophobicContact CG-CG 4.45Å; T339-E494 WeakPolarHBondContact CA-O 3.2Å; T339-E494 VanDerWaalsContact CB-O 3.24Å; T339-E494 WeakPolarHBondContact CB-O 3.29Å; T339-E494 PolarHBondContact N-O 2.94Å; T339-E494 VanDerWaalsContact N-O 3.11Å; F340-E494 PolarHBondContact N-O 3Å; F340-E494 WeakPolarHBondContact O-CA 3.32Å; I490-E494 HydrophobicContact CG2-CG 4.44Å; I490-E494 WeakPolarHBondContact O-CG 3.49Å; I490-E494 PolarHBondContact O-N 2.75Å; E491-E494 PolarHBondContact O-N 2.73Å; E492-E494 VanDerWaalsContact C-N 3.29Å; E492-E494 PolarHBondContact O-N 3.32Å
495	I	88.4	Confident	85.1	Confident	109 Å²	109	57.3 Å²	57.3	56%	0.559	29%	0.294	S	S	*	.	H	α-helix	trans	-100.1	-45.1	178.9	-57.1	172.6	0	0	0	111.3	F340 E492 N493	F340-I495 WeakPolarHBondContact CD2-O 3.4Å; F340-I495 WeakPolarHBondContact CE2-O 3.46Å; E492-I495 PolarHBondContact O-N 3.48Å; N493-I495 PolarHBondContact O-N 3.02Å
496	E	86	Confident	85.9	Confident	117 Å²	117	55.1 Å²	55.1	55%	0.547	28%	0.279	S	S	.	.	H	α-helix	trans	-100.6	-22.9	-169.9	-66.8	-61.8	151	0	0	113.9	E492 N493 F498 K565	E492-E496 PolarHBondContact O-N 3.42Å; E492-E496 VanDerWaalsContact O-N 3.09Å; N493-E496 PolarHBondContact O-N 3.2Å; E496-F498 VanDerWaalsContact C-N 3.31Å; E496-F498 HydrophobicContact CB-CD1 4.05Å; E496-F498 PolarHBondContact O-N 3.32Å; E496-K565 PolarHBondContact O-NZ 2.73Å
497	G	86.4	Confident	86.8	Confident	2 Å²	2	53 Å²	53	2%	0.021	27%	0.267	C	S	.	.			trans	61.2	33.7	-178.2	0	0	0	0	0	113.7	F340 N493 L499 K565	F340-G497 VanDerWaalsContact CG-CA 3.45Å; N493-G497 VanDerWaalsContact O-CA 3.26Å; N493-G497 WeakPolarHBondContact O-CA 3.27Å; N493-G497 PolarHBondContact O-N 3.47Å; N493-G497 WeakPolarHBondContact OD1-CA 3.45Å; G497-L499 VanDerWaalsContact C-N 3.33Å; G497-K565 VanDerWaalsContact C-NZ 3.27Å; G497-K565 WeakPolarHBondContact O-CD 3.22Å; G497-K565 PolarHBondContact O-NZ 2.97Å
498	F	85.5	Confident	87.7	Confident	91 Å²	91	48 Å²	48	40%	0.399	24%	0.241	S	C	.	.			trans	-73.4	-22.4	-177.2	63.8	-95.5	0	0	0	113.7	E489 E492 N493 E496	E489-F498 HydrophobicContact CG-CE2 3.79Å; E489-F498 HydrophobicContact CG-CZ 3.68Å; E489-F498 WeakPolarHBondContact O-CZ 3.16Å; E492-F498 HydrophobicContact CB-CE1 3.76Å; E492-F498 HydrophobicContact CB-CZ 4.29Å; E492-F498 HydrophobicContact CG-CD1 4.49Å; E492-F498 HydrophobicContact CG-CE1 3.7Å; E492-F498 HydrophobicContact CG-CZ 4.5Å; N493-F498 VanDerWaalsContact CA-CE1 3.49Å; N493-F498 HydrophobicContact CB-CD1 4.24Å; N493-F498 HydrophobicContact CB-CE1 3.8Å; N493-F498 HydrophobicContact CB-CZ 4.03Å; N493-F498 VanDerWaalsContact N-CE1 3.28Å; N493-F498 PolarHBondContact OD1-N 3.31Å; E496-F498 VanDerWaalsContact C-N 3.31Å; E496-F498 HydrophobicContact CB-CD1 4.05Å; E496-F498 PolarHBondContact O-N 3.32Å
499	L	85.6	Confident	88.3	Confident	28 Å²	28	46.5 Å²	46.5	15%	0.147	23%	0.229	C	C	.	.	S	Bend	trans	-68	149.3	178.6	-67.4	176	0	0	0	110.9	T342 E489 N493 G497 S502	T342-L499 HydrophobicContact CG2-CB 4.46Å; T342-L499 HydrophobicContact CG2-CD1 3.75Å; E489-L499 HydrophobicContact CG-CD2 4.15Å; N493-L499 HydrophobicContact CB-CB 4.36Å; N493-L499 HydrophobicContact CB-CD1 3.51Å; N493-L499 HydrophobicContact CB-CG 3.74Å; N493-L499 VanDerWaalsContact OD1-CB 3.25Å; N493-L499 WeakPolarHBondContact OD1-CB 3.37Å; N493-L499 WeakPolarHBondContact OD1-CG 3.29Å; N493-L499 PolarHBondContact OD1-N 2.63Å; G497-L499 VanDerWaalsContact C-N 3.33Å; L499-S502 WeakPolarHBondContact O-CB 3.36Å; L499-S502 PolarHBondContact O-N 2.69Å; L499-S502 PolarHBondContact O-OG 2.49Å
500	P	81.6	Confident	88.8	Confident	66 Å²	66	42.1 Å²	42.1	43%	0.429	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	154.1	170.7	26.6	-35.8	0	0	0	110.8	T342 Q344 S502	T342-P500 PolarHBondContact OG1-O 2.89Å; Q344-P500 HydrophobicContact CB-CG 4.43Å; Q344-P500 HydrophobicContact CG-CG 3.97Å; Q344-P500 VanDerWaalsContact OE1-CG 3.26Å; P500-S502 PolarHBondContact O-N 3.36Å; P500-S502 VanDerWaalsContact O-N 3.17Å
501	R	79.7	Confident	89.1	Confident	50 Å²	50	40.1 Å²	40.1	19%	0.189	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	31.1	-179.8	-51.7	-58.7	-168	152.9	14.7	113.8	L343 A351 F352 F503	L343-R501 PolarHBondContact N-O 3.12Å; A351-R501 PolarHBondContact O-NH2 2.97Å; F352-R501 PolarHBondContact O-NH2 3.36Å; R501-F503 WeakPolarHBondContact O-CD2 3.45Å; R501-F503 VanDerWaalsContact O-CE2 3.29Å; R501-F503 WeakPolarHBondContact O-CE2 3.43Å
502	S	88.2	Confident	89.2	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	129	173.1	-69.1	0	0	0	0	110.6	L341 N493 L499 P500 K565	L341-S502 CarbonylContact O-C 3.47Å; L341-S502 WeakPolarHBondContact O-CA 3.32Å; N493-S502 PolarHBondContact ND2-OG 3.06Å; N493-S502 PolarHBondContact OD1-OG 3.5Å; L499-S502 WeakPolarHBondContact O-CB 3.36Å; L499-S502 PolarHBondContact O-N 2.69Å; L499-S502 PolarHBondContact O-OG 2.49Å; P500-S502 PolarHBondContact O-N 3.36Å; P500-S502 VanDerWaalsContact O-N 3.17Å; S502-K565 WeakPolarHBondContact O-CB 3.46Å; S502-K565 PolarHBondContact O-N 2.76Å
503	F	91.2	Very high	89.1	Confident	16 Å²	16	33.3 Å²	33.3	7%	0.07	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	138.6	172.8	-59.7	-107.4	0	0	0	108.9	L312 F340 L341 L343 R501 Y562 V563 D564	L312-F503 HydrophobicContact CB-CD1 3.88Å; L312-F503 HydrophobicContact CB-CE1 4.12Å; L312-F503 HydrophobicContact CB-CG 4.2Å; L312-F503 HydrophobicContact CD2-CD2 4.37Å; L312-F503 HydrophobicContact CD2-CG 4.47Å; F340-F503 CarbonylContact C-O 3.58Å; F340-F503 WeakPolarHBondContact CA-O 3.3Å; L341-F503 PolarHBondContact N-O 2.95Å; L341-F503 PolarHBondContact O-N 3.14Å; L343-F503 HydrophobicContact CD1-CD2 4.5Å; L343-F503 HydrophobicContact CD1-CE2 3.83Å; L343-F503 HydrophobicContact CD1-CZ 4.38Å; L343-F503 HydrophobicContact CG-CD2 4.41Å; L343-F503 HydrophobicContact CG-CE2 4.06Å; R501-F503 WeakPolarHBondContact O-CD2 3.45Å; R501-F503 VanDerWaalsContact O-CE2 3.29Å; R501-F503 WeakPolarHBondContact O-CE2 3.43Å; F503-Y562 HydrophobicContact CB-CD1 4.38Å; F503-Y562 HydrophobicContact CB-CG 4.45Å; F503-Y562 WeakPolarHBondContact O-CD1 3.25Å; F503-V563 CarbonylContact C-O 3.55Å; F503-V563 VanDerWaalsContact CA-O 3.27Å; F503-V563 WeakPolarHBondContact CA-O 3.45Å; F503-D564 HydrophobicContact CD1-CB 3.99Å; F503-D564 HydrophobicContact CE1-CB 3.92Å
504	R	93.3	Very high	88.7	Confident	40 Å²	40	42.6 Å²	42.6	15%	0.151	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	136.3	177.5	-172	173.4	162.4	82.5	10.9	110.9	T339 F340 S506 W528 E546 Y562 V563 L568	T339-R504 HydrophobicContact CG2-CG 4.38Å; T339-R504 CarbonylContact O-C 3.42Å; T339-R504 VanDerWaalsContact O-CA 3.3Å; T339-R504 WeakPolarHBondContact O-CA 3.31Å; F340-R504 HydrophobicContact CD1-CB 3.73Å; F340-R504 HydrophobicContact CD1-CG 4.15Å; F340-R504 HydrophobicContact CE1-CB 3.5Å; F340-R504 VanDerWaalsContact CE1-CB 3.5Å; F340-R504 HydrophobicContact CE1-CG 3.75Å; F340-R504 HydrophobicContact CZ-CB 4.25Å; F340-R504 HydrophobicContact CZ-CG 3.99Å; R504-S506 PolarHBondContact O-N 3.4Å; R504-W528 HydrophobicContact CB-CH2 4.48Å; R504-W528 HydrophobicContact CG-CH2 4.15Å; R504-E546 IonicContact CZ-OE2 3.02Å; R504-E546 IonicContact NH2-OE1 2.78Å; R504-E546 IonicContact NH2-OE2 2.82Å; R504-E546 PolarHBondContact NH2-OE2 3.1Å; R504-Y562 CarbonylContact O-C 3.12Å; R504-Y562 VanDerWaalsContact O-CA 3.24Å; R504-Y562 WeakPolarHBondContact O-CA 3.5Å; R504-V563 PolarHBondContact N-O 2.75Å; R504-V563 PolarHBondContact O-N 3.09Å; R504-L568 HydrophobicContact CB-CD1 3.56Å; R504-L568 HydrophobicContact CG-CD1 4.24Å
505	L	95	Very high	88.2	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	128.7	172.9	-173.5	71.8	0	0	0	110.3	I337 T339 V508 W533 F560 Y562	I337-L505 HydrophobicContact CG2-CD1 4.32Å; I337-L505 HydrophobicContact CG2-CD2 3.64Å; T339-L505 PolarHBondContact O-N 3.19Å; L505-V508 HydrophobicContact CD1-CG2 3.98Å; L505-V508 HydrophobicContact CD2-CG2 4.05Å; L505-V508 HydrophobicContact CG-CG2 4.33Å; L505-W533 HydrophobicContact CD2-CH2 3.85Å; L505-W533 HydrophobicContact CD2-CZ2 3.98Å; L505-W533 HydrophobicContact CG-CH2 3.87Å; L505-W533 HydrophobicContact CG-CZ2 4.16Å; L505-F560 HydrophobicContact CD1-CB 4.26Å; L505-F560 HydrophobicContact CD1-CD1 4.25Å; L505-Y562 HydrophobicContact CB-CD1 4.02Å; L505-Y562 HydrophobicContact CB-CE1 3.64Å; L505-Y562 HydrophobicContact CD1-CD1 4.38Å; L505-Y562 HydrophobicContact CD1-CD2 4.08Å; L505-Y562 HydrophobicContact CD1-CE1 3.91Å; L505-Y562 HydrophobicContact CD1-CE2 3.58Å; L505-Y562 HydrophobicContact CD1-CG 4.44Å; L505-Y562 VanDerWaalsContact CD1-CZ 3.48Å; L505-Y562 HydrophobicContact CG-CE1 4.37Å; L505-Y562 VanDerWaalsContact N-CD1 3.27Å
506	S	93.7	Very high	87.7	Confident	16 Å²	16	39.8 Å²	39.8	11%	0.112	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	-31.3	-177.2	-171.9	0	0	0	0	113.4	R504 F526 W528 F561	R504-S506 PolarHBondContact O-N 3.4Å; S506-F526 PolarHBondContact O-N 2.95Å; S506-W528 WeakPolarHBondContact OG-CZ2 3.45Å; S506-W528 PolarHBondContact OG-NE1 3.32Å; S506-F561 PolarHBondContact N-O 3.48Å
507	A	94.9	Very high	87.1	Confident	12 Å²	12	39.2 Å²	39.2	10%	0.099	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	152.3	176.8	0	0	0	0	0	111.8	D524 V525 F561	A507-D524 CarbonylContact C-O 3.46Å; A507-D524 WeakPolarHBondContact CA-O 3.49Å; A507-V525 HydrophobicContact CB-CG1 4.44Å; A507-V525 HydrophobicContact CB-CG2 4.17Å; A507-F561 HydrophobicContact CB-CB 4.06Å; A507-F561 HydrophobicContact CB-CD2 3.84Å; A507-F561 HydrophobicContact CB-CG 4.27Å; A507-F561 PolarHBondContact N-O 3.43Å; A507-F561 PolarHBondContact O-N 3.12Å
508	V	95.9	Very high	86.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	121.9	177	-175	0	0	0	0	108.8	L505 S523 D524 V549 R553 I559 F560	L505-V508 HydrophobicContact CD1-CG2 3.98Å; L505-V508 HydrophobicContact CD2-CG2 4.05Å; L505-V508 HydrophobicContact CG-CG2 4.33Å; V508-S523 CarbonylContact O-C 3.44Å; V508-S523 WeakPolarHBondContact O-CA 3.41Å; V508-D524 HydrophobicContact CB-CB 4.46Å; V508-D524 PolarHBondContact N-O 3.41Å; V508-D524 PolarHBondContact O-N 3.23Å; V508-V549 HydrophobicContact CB-CG1 4.45Å; V508-V549 HydrophobicContact CG2-CG1 4Å; V508-R553 HydrophobicContact CG1-CB 4.1Å; V508-R553 HydrophobicContact CG1-CG 4.19Å; V508-I559 WeakPolarHBondContact CA-O 3.4Å; V508-F560 HydrophobicContact CB-CD1 4.34Å; V508-F560 HydrophobicContact CB-CE1 4.43Å; V508-F560 HydrophobicContact CG1-CD1 3.81Å; V508-F560 HydrophobicContact CG1-CE1 3.5Å; V508-F560 VanDerWaalsContact CG1-CE1 3.5Å; V508-F560 HydrophobicContact CG1-CZ 4.21Å; V508-F560 HydrophobicContact CG2-CD1 3.8Å; V508-F560 HydrophobicContact CG2-CE1 4.11Å
509	V	93.8	Very high	86.5	Confident	33 Å²	33	40.4 Å²	40.4	20%	0.2	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	124.6	169	-179.7	0	0	0	0	108.1	Y521 Y558 I559 F561	V509-Y521 HydrophobicContact CG1-CD1 4.31Å; V509-Y558 PolarHBondContact O-N 3.44Å; V509-I559 HydrophobicContact CB-CB 4.11Å; V509-I559 PolarHBondContact N-O 3.04Å; V509-I559 PolarHBondContact O-N 3.43Å; V509-I559 VanDerWaalsContact O-N 3.16Å; V509-F561 HydrophobicContact CG2-CE2 3.94Å
510	S	92.8	Very high	86.5	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.6	-176.7	-59.5	0	0	0	0	111.2	Y521 V522 R553 N556	S510-Y521 WeakPolarHBondContact O-CA 3.27Å; S510-V522 PolarHBondContact N-O 2.85Å; S510-V522 PolarHBondContact O-N 2.93Å; S510-R553 VanDerWaalsContact OG-CD 3.25Å; S510-R553 WeakPolarHBondContact OG-CD 3.2Å; S510-R553 WeakPolarHBondContact OG-CG 3.42Å; S510-N556 CarbonylContact C-O 3.56Å; S510-N556 VanDerWaalsContact CA-O 3.25Å; S510-N556 WeakPolarHBondContact CA-O 3.42Å; S510-N556 WeakPolarHBondContact CB-O 3.34Å
511	H	89.7	Confident	86.8	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.009	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	116	172.7	176.8	-105.7	0	0	0	109.9	Y319 K330 S515 G519 H520 Y521 N556 Y558	Y319-H511 AromaticContact CZ-ND1 3.94Å; Y319-H511 PolarHBondContact OH-CE1 2.99Å; Y319-H511 PolarHBondContact OH-ND1 3.03Å; K330-H511 PolarHBondContact NZ-O 3.29Å; H511-S515 PolarHBondContact CE1-O 3.07Å; H511-G519 WeakPolarHBondContact NE2-CA 3.4Å; H511-H520 WeakPolarHBondContact CA-O 3.29Å; H511-Y521 HydrophobicContact CB-CD1 3.95Å; H511-Y521 HydrophobicContact CB-CE1 3.64Å; H511-Y521 AromaticContact CD2-CD2 3.78Å; H511-Y521 AromaticContact CD2-CE1 3.74Å; H511-Y521 AromaticContact CD2-CE2 3.39Å; H511-Y521 WeakPolarHBondContact CD2-CE2 2.98Å; H511-Y521 AromaticContact CD2-CZ 3.37Å; H511-Y521 AromaticContact CG-CE1 3.95Å; H511-Y521 AromaticContact CG-CZ 3.91Å; H511-N556 PolarHBondContact N-O 3.45Å; H511-Y558 HydrophobicContact CB-CD2 3.62Å; H511-Y558 HydrophobicContact CB-CE2 3.49Å; H511-Y558 VanDerWaalsContact CB-CE2 3.49Å; H511-Y558 HydrophobicContact CB-CG 4.38Å
512	I	88.1	Confident	87.3	Confident	68 Å²	68	40.7 Å²	40.7	35%	0.349	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	107.6	179.5	-54	171.9	0	0	0	107.5	G519 H520 V522	I512-G519 CarbonylContact O-C 3.48Å; I512-G519 VanDerWaalsContact O-CA 3.22Å; I512-G519 WeakPolarHBondContact O-CA 3.38Å; I512-H520 HydrophobicContact CB-CB 4.49Å; I512-H520 PolarHBondContact N-O 3.12Å; I512-H520 PolarHBondContact O-N 2.81Å; I512-V522 HydrophobicContact CD1-CG1 4.36Å; I512-V522 HydrophobicContact CD1-CG2 3.9Å; I512-V522 HydrophobicContact CG1-CG2 4.43Å
513	G	84.8	Confident	87.5	Confident	17 Å²	17	42.2 Å²	42.2	18%	0.175	23%	0.232	C	C	.	.	S	Bend	trans	170.8	159.2	-174	0	0	0	0	0	111.3	K330	K330-G513 WeakPolarHBondContact CD-O 3.34Å; K330-G513 PolarHBondContact NZ-O 3.17Å
514	Y	78.4	Confident	87.7	Confident	196 Å²	196	41.5 Å²	41.5	77%	0.769	23%	0.229	S	C	*	.	S	Bend	trans	-88.2	-33.8	-177.3	-61.9	-75.8	0	0	0	112.7
515	S	78.5	Confident	87.8	Confident	28 Å²	28	41.9 Å²	41.9	20%	0.196	24%	0.235	C	C	.	.	S	Bend	trans	-113.9	167.6	-175.3	84.7	0	0	0	0	111.2	Y319 H511 T517 T518	Y319-S515 VanDerWaalsContact CZ-C 3.49Å; Y319-S515 PolarHBondContact OH-O 3.06Å; H511-S515 PolarHBondContact CE1-O 3.07Å; S515-T517 PolarHBondContact OG-N 3.32Å; S515-T517 VanDerWaalsContact OG-N 3.15Å; S515-T517 PolarHBondContact OG-OG1 2.92Å; S515-T518 VanDerWaalsContact O-O 3.1Å; S515-T518 PolarHBondContact OG-N 2.75Å; S515-T518 PolarHBondContact OG-OG1 2.8Å
516	S	78.3	Confident	87.7	Confident	51 Å²	51	42.7 Å²	42.7	36%	0.357	24%	0.239	S	C	.	.	S	Bend	trans	-77.8	-11.3	172.5	58.9	0	0	0	0	113.3	Y319	Y319-S516 VanDerWaalsContact CE1-N 3.32Å
517	T	74.2	Confident	87.4	Confident	104 Å²	104	43.9 Å²	43.9	64%	0.638	24%	0.244	S	C	*	.	S	Bend	trans	-105.8	-9.3	-176.4	51.4	0	0	0	0	113.2	S515	S515-T517 PolarHBondContact OG-N 3.32Å; S515-T517 VanDerWaalsContact OG-N 3.15Å; S515-T517 PolarHBondContact OG-OG1 2.92Å
518	T	75.5	Confident	86.9	Confident	85 Å²	85	47.5 Å²	47.5	52%	0.521	26%	0.255	S	S	.	.	S	Bend	trans	-144.1	129.5	-178.3	62.4	0	0	0	0	110.4	S515	S515-T518 VanDerWaalsContact O-O 3.1Å; S515-T518 PolarHBondContact OG-N 2.75Å; S515-T518 PolarHBondContact OG-OG1 2.8Å
519	G	82.9	Confident	86.2	Confident	34 Å²	34	55.9 Å²	55.9	35%	0.351	29%	0.292	S	S	.	.			trans	164.8	-165.7	169.8	0	0	0	0	0	111.4	H511 I512	H511-G519 WeakPolarHBondContact NE2-CA 3.4Å; I512-G519 CarbonylContact O-C 3.48Å; I512-G519 VanDerWaalsContact O-CA 3.22Å; I512-G519 WeakPolarHBondContact O-CA 3.38Å
520	H	86.3	Confident	85.7	Confident	52 Å²	52	58.2 Å²	58.2	24%	0.241	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	126.2	-168.5	-174.4	41.7	0	0	0	110.3	H511 I512 D537 D538	H511-H520 WeakPolarHBondContact CA-O 3.29Å; I512-H520 HydrophobicContact CB-CB 4.49Å; I512-H520 PolarHBondContact N-O 3.12Å; I512-H520 PolarHBondContact O-N 2.81Å; H520-D537 IonicContact CD2-OD1 3.86Å; H520-D537 IonicContact CE1-OD1 3.84Å; H520-D537 PolarHBondContact CE1-OD1 3.17Å; H520-D537 IonicContact NE2-OD1 3.35Å; H520-D537 PolarHBondContact NE2-OD1 3.38Å; H520-D537 IonicContact NE2-OD2 2.67Å; H520-D538 IonicContact CE1-OD2 3.05Å; H520-D538 PolarHBondContact CE1-OD2 3.22Å; H520-D538 IonicContact ND1-OD2 3.99Å
521	Y	88.3	Confident	85.5	Confident	93 Å²	93	66.5 Å²	66.5	37%	0.365	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.1	-179.4	-73.3	-87.6	0	0	0	110.1	V509 S510 H511	V509-Y521 HydrophobicContact CG1-CD1 4.31Å; S510-Y521 WeakPolarHBondContact O-CA 3.27Å; H511-Y521 HydrophobicContact CB-CD1 3.95Å; H511-Y521 HydrophobicContact CB-CE1 3.64Å; H511-Y521 AromaticContact CD2-CD2 3.78Å; H511-Y521 AromaticContact CD2-CE1 3.74Å; H511-Y521 AromaticContact CD2-CE2 3.39Å; H511-Y521 WeakPolarHBondContact CD2-CE2 2.98Å; H511-Y521 AromaticContact CD2-CZ 3.37Å; H511-Y521 AromaticContact CG-CE1 3.95Å; H511-Y521 AromaticContact CG-CZ 3.91Å
522	V	90.6	Very high	85.5	Confident	5 Å²	5	69.8 Å²	69.8	3%	0.03	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	150	175.7	-60.6	0	0	0	0	109.8	S510 I512 D537	S510-V522 PolarHBondContact N-O 2.85Å; S510-V522 PolarHBondContact O-N 2.93Å; I512-V522 HydrophobicContact CD1-CG1 4.36Å; I512-V522 HydrophobicContact CD1-CG2 3.9Å; I512-V522 HydrophobicContact CG1-CG2 4.43Å; V522-D537 HydrophobicContact CG1-CB 3.98Å
523	S	92.4	Very high	85.8	Confident	34 Å²	34	66.7 Å²	66.7	24%	0.238	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	123.1	-178.8	-169.2	0	0	0	0	110.7	V508 Y536	V508-S523 CarbonylContact O-C 3.44Å; V508-S523 WeakPolarHBondContact O-CA 3.41Å; S523-Y536 PolarHBondContact N-O 3.45Å; S523-Y536 WeakPolarHBondContact O-CB 3.41Å; S523-Y536 PolarHBondContact O-N 3.31Å
524	D	95	Very high	86.2	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.011	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	129.3	166.8	-51.9	-76	0	0	0	108.3	A507 V508 W533 Y534 C535 V549 R553	A507-D524 CarbonylContact C-O 3.46Å; A507-D524 WeakPolarHBondContact CA-O 3.49Å; V508-D524 HydrophobicContact CB-CB 4.46Å; V508-D524 PolarHBondContact N-O 3.41Å; V508-D524 PolarHBondContact O-N 3.23Å; D524-W533 HydrophobicContact CB-CE3 4.04Å; D524-W533 HydrophobicContact CB-CZ3 4.07Å; D524-Y534 CarbonylContact C-O 3.54Å; D524-Y534 WeakPolarHBondContact CA-O 3.48Å; D524-C535 VanDerWaalsContact OD1-CB 3.32Å; D524-C535 WeakPolarHBondContact OD1-CB 2.95Å; D524-V549 HydrophobicContact CB-CG1 3.82Å; D524-V549 HydrophobicContact CB-CG2 3.89Å; D524-R553 IonicContact OD1-CZ 3.92Å; D524-R553 IonicContact OD1-NE 3.21Å; D524-R553 IonicContact OD1-NH2 3.58Å; D524-R553 PolarHBondContact OD1-NH2 3.08Å; D524-R553 WeakPolarHBondContact OD2-CG 3.15Å; D524-R553 IonicContact OD2-CZ 3.78Å; D524-R553 VanDerWaalsContact OD2-CZ 3.28Å; D524-R553 IonicContact OD2-NE 2.71Å; D524-R553 PolarHBondContact OD2-NE 3.13Å; D524-R553 IonicContact OD2-NH2 3.69Å; D524-R553 PolarHBondContact OD2-NH2 3.27Å; D524-R553 VanDerWaalsContact OD2-NH2 3.14Å
525	V	94.2	Very high	86.8	Confident	47 Å²	47	57.3 Å²	57.3	29%	0.285	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	135.8	-178	-174.5	0	0	0	0	109.3	A507 Y534 Y536	A507-V525 HydrophobicContact CB-CG1 4.44Å; A507-V525 HydrophobicContact CB-CG2 4.17Å; V525-Y534 PolarHBondContact N-O 3.31Å; V525-Y534 PolarHBondContact O-N 3.09Å; V525-Y536 HydrophobicContact CB-CD2 4.32Å; V525-Y536 HydrophobicContact CB-CE2 3.97Å; V525-Y536 HydrophobicContact CG2-CD2 4.06Å; V525-Y536 HydrophobicContact CG2-CE2 4.13Å
526	F	92.9	Very high	87.2	Confident	18 Å²	18	60.2 Å²	60.2	8%	0.079	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	119	171.3	-171	-109.1	0	0	0	110.1	S506 W528 R531 W533	S506-F526 PolarHBondContact O-N 2.95Å; F526-W528 AromaticContact CD1-CD2 3.64Å; F526-W528 HydrophobicContact CD1-CD2 3.64Å; F526-W528 AromaticContact CD1-CE2 3.83Å; F526-W528 AromaticContact CD1-CE3 3.51Å; F526-W528 HydrophobicContact CD1-CE3 3.51Å; F526-W528 HydrophobicContact CD1-CG 4.33Å; F526-W528 AromaticContact CD1-CH2 3.72Å; F526-W528 HydrophobicContact CD1-CH2 3.72Å; F526-W528 AromaticContact CD1-CZ2 3.89Å; F526-W528 HydrophobicContact CD1-CZ2 3.89Å; F526-W528 AromaticContact CD1-CZ3 3.54Å; F526-W528 HydrophobicContact CD1-CZ3 3.54Å; F526-W528 AromaticContact CE1-CD2 3.95Å; F526-W528 HydrophobicContact CE1-CD2 3.95Å; F526-W528 AromaticContact CE1-CE3 3.37Å; F526-W528 HydrophobicContact CE1-CE3 3.37Å; F526-W528 HydrophobicContact CE1-CH2 4.07Å; F526-W528 AromaticContact CE1-CZ3 3.43Å; F526-W528 HydrophobicContact CE1-CZ3 3.43Å; F526-W528 VanDerWaalsContact CE1-CZ3 3.43Å; F526-W528 PolarHBondContact O-N 3.46Å; F526-R531 WeakPolarHBondContact CE2-O 3.43Å; F526-R531 HydrophobicContact CZ-CB 4.15Å; F526-W533 HydrophobicContact CB-CD2 4Å; F526-W533 HydrophobicContact CB-CE3 4.24Å; F526-W533 HydrophobicContact CB-CH2 4.12Å; F526-W533 HydrophobicContact CB-CZ2 3.89Å; F526-W533 HydrophobicContact CB-CZ3 4.31Å; F526-W533 AromaticContact CD2-CD1 3.41Å; F526-W533 VanDerWaalsContact CD2-CD1 3.41Å; F526-W533 HydrophobicContact CD2-CD2 4.03Å; F526-W533 AromaticContact CD2-CE2 3.72Å; F526-W533 AromaticContact CD2-CG 3.85Å; F526-W533 HydrophobicContact CD2-CG 3.85Å; F526-W533 HydrophobicContact CD2-CZ2 4.45Å; F526-W533 AromaticContact CD2-NE1 3.31Å; F526-W533 VanDerWaalsContact CD2-NE1 3.31Å; F526-W533 AromaticContact CE2-CD1 3.93Å; F526-W533 AromaticContact CE2-NE1 3.94Å; F526-W533 HydrophobicContact CG-CZ2 4.47Å
527	D	87.3	Confident	87.6	Confident	40 Å²	40	60.3 Å²	60.3	21%	0.214	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	111.3	171.7	-171.5	-22.7	0	0	0	109.4	K529 E530 R531 E532 Y534	D527-K529 PolarHBondContact O-N 3.12Å; D527-K529 WeakPolarHBondContact OD1-CB 3.36Å; D527-K529 PolarHBondContact OD1-N 3.39Å; D527-E530 HydrophobicContact CB-CB 4.33Å; D527-E530 PolarHBondContact OD1-N 3.32Å; D527-R531 WeakPolarHBondContact O-CA 3.44Å; D527-R531 PolarHBondContact O-N 2.99Å; D527-E532 PolarHBondContact N-O 3.2Å; D527-E532 PolarHBondContact O-N 3.48Å; D527-Y534 HydrophobicContact CB-CD2 3.98Å; D527-Y534 HydrophobicContact CB-CE2 3.93Å
528	W	84.3	Confident	88	Confident	89 Å²	89	57 Å²	57	34%	0.337	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-21.9	-179.9	-62.3	103	0	0	0	114.1	R504 S506 F526 L568	R504-W528 HydrophobicContact CB-CH2 4.48Å; R504-W528 HydrophobicContact CG-CH2 4.15Å; S506-W528 WeakPolarHBondContact OG-CZ2 3.45Å; S506-W528 PolarHBondContact OG-NE1 3.32Å; F526-W528 AromaticContact CD1-CD2 3.64Å; F526-W528 HydrophobicContact CD1-CD2 3.64Å; F526-W528 AromaticContact CD1-CE2 3.83Å; F526-W528 AromaticContact CD1-CE3 3.51Å; F526-W528 HydrophobicContact CD1-CE3 3.51Å; F526-W528 HydrophobicContact CD1-CG 4.33Å; F526-W528 AromaticContact CD1-CH2 3.72Å; F526-W528 HydrophobicContact CD1-CH2 3.72Å; F526-W528 AromaticContact CD1-CZ2 3.89Å; F526-W528 HydrophobicContact CD1-CZ2 3.89Å; F526-W528 AromaticContact CD1-CZ3 3.54Å; F526-W528 HydrophobicContact CD1-CZ3 3.54Å; F526-W528 AromaticContact CE1-CD2 3.95Å; F526-W528 HydrophobicContact CE1-CD2 3.95Å; F526-W528 AromaticContact CE1-CE3 3.37Å; F526-W528 HydrophobicContact CE1-CE3 3.37Å; F526-W528 HydrophobicContact CE1-CH2 4.07Å; F526-W528 AromaticContact CE1-CZ3 3.43Å; F526-W528 HydrophobicContact CE1-CZ3 3.43Å; F526-W528 VanDerWaalsContact CE1-CZ3 3.43Å; F526-W528 PolarHBondContact O-N 3.46Å; W528-L568 HydrophobicContact CD2-CD2 3.92Å; W528-L568 HydrophobicContact CE3-CD2 3.85Å; W528-L568 HydrophobicContact CH2-CD1 3.31Å; W528-L568 HydrophobicContact CH2-CD2 3.57Å; W528-L568 HydrophobicContact CH2-CG 4.07Å; W528-L568 HydrophobicContact CZ2-CD1 3.99Å; W528-L568 HydrophobicContact CZ2-CD2 3.56Å; W528-L568 HydrophobicContact CZ2-CG 4.44Å; W528-L568 HydrophobicContact CZ3-CD1 3.67Å; W528-L568 HydrophobicContact CZ3-CD2 3.7Å; W528-L568 HydrophobicContact CZ3-CG 4.22Å
529	K	82.9	Confident	88.1	Confident	176 Å²	176	55.1 Å²	55.1	77%	0.765	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-50.9	179.1	-64.8	177.5	179.7	172.9	0	111.3	D527 R531	D527-K529 PolarHBondContact O-N 3.12Å; D527-K529 WeakPolarHBondContact OD1-CB 3.36Å; D527-K529 PolarHBondContact OD1-N 3.39Å; K529-R531 VanDerWaalsContact C-N 3.29Å
530	E	83.3	Confident	87.9	Confident	81 Å²	81	57 Å²	57	38%	0.379	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-16.5	179.7	-61.3	-62.2	138.9	0	0	112	D527 E532 Y534	D527-E530 HydrophobicContact CB-CB 4.33Å; D527-E530 PolarHBondContact OD1-N 3.32Å; E530-E532 HydrophobicContact CB-CB 4.38Å; E530-E532 PolarHBondContact O-N 2.91Å; E530-Y534 HydrophobicContact CB-CE2 4.4Å
531	R	87.6	Confident	87.8	Confident	175 Å²	175	55.8 Å²	55.8	66%	0.66	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	35	-174	-60.5	-178.2	170.6	-116.8	-0.4	112.9	F526 D527 K529	F526-R531 WeakPolarHBondContact CE2-O 3.43Å; F526-R531 HydrophobicContact CZ-CB 4.15Å; D527-R531 WeakPolarHBondContact O-CA 3.44Å; D527-R531 PolarHBondContact O-N 2.99Å; K529-R531 VanDerWaalsContact C-N 3.29Å
532	E	90.3	Very high	87.7	Confident	70 Å²	70	54.1 Å²	54.1	33%	0.327	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	151.2	-176.6	-71	-69.9	179.1	0	0	110.1	D527 E530 Y534 R543	D527-E532 PolarHBondContact N-O 3.2Å; D527-E532 PolarHBondContact O-N 3.48Å; E530-E532 HydrophobicContact CB-CB 4.38Å; E530-E532 PolarHBondContact O-N 2.91Å; E532-Y534 HydrophobicContact CB-CE2 3.79Å; E532-R543 IonicContact OE1-NH1 2.95Å
533	W	94.5	Very high	87.8	Confident	4 Å²	4	59 Å²	59	2%	0.015	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	140	173.3	-79	89.3	0	0	0	110.6	L505 D524 F526 T544 E546 V549	L505-W533 HydrophobicContact CD2-CH2 3.85Å; L505-W533 HydrophobicContact CD2-CZ2 3.98Å; L505-W533 HydrophobicContact CG-CH2 3.87Å; L505-W533 HydrophobicContact CG-CZ2 4.16Å; D524-W533 HydrophobicContact CB-CE3 4.04Å; D524-W533 HydrophobicContact CB-CZ3 4.07Å; F526-W533 HydrophobicContact CB-CD2 4Å; F526-W533 HydrophobicContact CB-CE3 4.24Å; F526-W533 HydrophobicContact CB-CH2 4.12Å; F526-W533 HydrophobicContact CB-CZ2 3.89Å; F526-W533 HydrophobicContact CB-CZ3 4.31Å; F526-W533 AromaticContact CD2-CD1 3.41Å; F526-W533 VanDerWaalsContact CD2-CD1 3.41Å; F526-W533 HydrophobicContact CD2-CD2 4.03Å; F526-W533 AromaticContact CD2-CE2 3.72Å; F526-W533 AromaticContact CD2-CG 3.85Å; F526-W533 HydrophobicContact CD2-CG 3.85Å; F526-W533 HydrophobicContact CD2-CZ2 4.45Å; F526-W533 AromaticContact CD2-NE1 3.31Å; F526-W533 VanDerWaalsContact CD2-NE1 3.31Å; F526-W533 AromaticContact CE2-CD1 3.93Å; F526-W533 AromaticContact CE2-NE1 3.94Å; F526-W533 HydrophobicContact CG-CZ2 4.47Å; W533-T544 HydrophobicContact CB-CG2 3.61Å; W533-T544 WeakPolarHBondContact CB-O 3.41Å; W533-T544 PolarHBondContact O-N 3.33Å; W533-T544 VanDerWaalsContact O-O 3.1Å; W533-E546 HydrophobicContact CZ2-CG 4.41Å; W533-E546 PolarHBondContact NE1-OE2 3.47Å; W533-V549 HydrophobicContact CB-CG2 4.44Å; W533-V549 HydrophobicContact CD2-CG2 4.22Å; W533-V549 HydrophobicContact CE3-CG1 4.37Å; W533-V549 HydrophobicContact CE3-CG2 4Å; W533-V549 HydrophobicContact CG-CG2 4.43Å; W533-V549 HydrophobicContact CZ3-CG1 4.22Å
534	Y	91.5	Very high	87.8	Confident	7 Å²	7	58.4 Å²	58.4	3%	0.027	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	131.7	175.5	-68.6	-90.3	0	0	0	110.1	P148 D524 V525 D527 E530 E532 V541 S542 R543	P148-Y534 HydrophobicContact CB-CD1 4.35Å; P148-Y534 HydrophobicContact CB-CE1 3.95Å; P148-Y534 HydrophobicContact CG-CE1 4.39Å; D524-Y534 CarbonylContact C-O 3.54Å; D524-Y534 WeakPolarHBondContact CA-O 3.48Å; V525-Y534 PolarHBondContact N-O 3.31Å; V525-Y534 PolarHBondContact O-N 3.09Å; D527-Y534 HydrophobicContact CB-CD2 3.98Å; D527-Y534 HydrophobicContact CB-CE2 3.93Å; E530-Y534 HydrophobicContact CB-CE2 4.4Å; E532-Y534 HydrophobicContact CB-CE2 3.79Å; Y534-V541 HydrophobicContact CD1-CG1 4.07Å; Y534-S542 CarbonylContact C-O 3.48Å; Y534-S542 WeakPolarHBondContact CA-O 3.33Å; Y534-R543 HydrophobicContact CD1-CB 4.48Å; Y534-R543 HydrophobicContact CE1-CB 4.3Å
535	C	92	Very high	87.7	Confident	8 Å²	8	60.3 Å²	60.3	5%	0.054	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	116.2	170.8	176.5	0	0	0	0	108.3	D524 V541 S542 T544 R553	D524-C535 VanDerWaalsContact OD1-CB 3.32Å; D524-C535 WeakPolarHBondContact OD1-CB 2.95Å; C535-V541 WeakPolarHBondContact O-CA 3.46Å; C535-S542 PolarHBondContact N-O 3.05Å; C535-S542 PolarHBondContact O-N 3.34Å; C535-T544 HydrophobicContact CB-CG2 4.29Å; C535-R553 PolarHBondContact SG-NH2 2.81Å
536	Y	87.9	Confident	87.7	Confident	90 Å²	90	59.9 Å²	59.9	35%	0.353	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	114.8	173.8	-64.6	-93.8	0	0	0	108.8	S523 V525 V541	S523-Y536 PolarHBondContact N-O 3.45Å; S523-Y536 WeakPolarHBondContact O-CB 3.41Å; S523-Y536 PolarHBondContact O-N 3.31Å; V525-Y536 HydrophobicContact CB-CD2 4.32Å; V525-Y536 HydrophobicContact CB-CE2 3.97Å; V525-Y536 HydrophobicContact CG2-CD2 4.06Å; V525-Y536 HydrophobicContact CG2-CE2 4.13Å; Y536-V541 HydrophobicContact CD1-CG1 4.11Å; Y536-V541 HydrophobicContact CD1-CG2 3.69Å; Y536-V541 HydrophobicContact CE1-CG1 3.85Å; Y536-V541 HydrophobicContact CE1-CG2 3.9Å
537	D	85.6	Confident	87.7	Confident	52 Å²	52	62.2 Å²	62.2	28%	0.278	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	89.9	178.9	-177.4	-12.1	0	0	0	108	H520 V522 S539 T540	H520-D537 IonicContact CD2-OD1 3.86Å; H520-D537 IonicContact CE1-OD1 3.84Å; H520-D537 PolarHBondContact CE1-OD1 3.17Å; H520-D537 IonicContact NE2-OD1 3.35Å; H520-D537 PolarHBondContact NE2-OD1 3.38Å; H520-D537 IonicContact NE2-OD2 2.67Å; V522-D537 HydrophobicContact CG1-CB 3.98Å; D537-S539 PolarHBondContact O-N 3.34Å; D537-T540 CarbonylContact C-O 3.49Å; D537-T540 WeakPolarHBondContact CB-OG1 3.26Å; D537-T540 PolarHBondContact N-O 3.12Å; D537-T540 WeakPolarHBondContact O-CA 3.41Å; D537-T540 PolarHBondContact O-N 3.46Å; D537-T540 PolarHBondContact O-OG1 2.71Å
538	D	83.4	Confident	88	Confident	34 Å²	34	64.4 Å²	64.4	18%	0.182	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.8	-100.7	-177.7	-71.8	-33.2	0	0	0	114.1	G152 F153 N155 H520	G152-D538 CarbonylContact C-O 3.44Å; G152-D538 WeakPolarHBondContact CA-O 3.36Å; F153-D538 PolarHBondContact N-O 2.77Å; F153-D538 VanDerWaalsContact N-O 3.07Å; F153-D538 CarbonylContact O-C 3.48Å; N155-D538 HydrophobicContact CB-CB 4.09Å; N155-D538 WeakPolarHBondContact CB-OD2 3.46Å; N155-D538 PolarHBondContact ND2-OD2 3.07Å; H520-D538 IonicContact CE1-OD2 3.05Å; H520-D538 PolarHBondContact CE1-OD2 3.22Å; H520-D538 IonicContact ND1-OD2 3.99Å
539	S	77.7	Confident	88.5	Confident	46 Å²	46	60.2 Å²	60.2	32%	0.322	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-16.6	-179	59	0	0	0	0	113.5	G152 F153 D537	G152-S539 VanDerWaalsContact C-CA 3.48Å; G152-S539 WeakPolarHBondContact CA-O 3.45Å; G152-S539 PolarHBondContact N-O 3.32Å; F153-S539 WeakPolarHBondContact O-CA 3.25Å; F153-S539 PolarHBondContact O-N 3.17Å; F153-S539 VanDerWaalsContact O-N 3.08Å; D537-S539 PolarHBondContact O-N 3.34Å
540	T	77.3	Confident	89	Confident	73 Å²	73	53.9 Å²	53.9	45%	0.448	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	134.7	-173	69.2	0	0	0	0	111.5	D537	D537-T540 CarbonylContact C-O 3.49Å; D537-T540 WeakPolarHBondContact CB-OG1 3.26Å; D537-T540 PolarHBondContact N-O 3.12Å; D537-T540 WeakPolarHBondContact O-CA 3.41Å; D537-T540 PolarHBondContact O-N 3.46Å; D537-T540 PolarHBondContact O-OG1 2.71Å
541	V	84.1	Confident	89.5	Confident	27 Å²	27	57.5 Å²	57.5	16%	0.164	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	116.1	172.2	-176.5	0	0	0	0	107.2	P148 Y534 C535 Y536	P148-V541 HydrophobicContact CB-CG1 4.42Å; Y534-V541 HydrophobicContact CD1-CG1 4.07Å; C535-V541 WeakPolarHBondContact O-CA 3.46Å; Y536-V541 HydrophobicContact CD1-CG1 4.11Å; Y536-V541 HydrophobicContact CD1-CG2 3.69Å; Y536-V541 HydrophobicContact CE1-CG1 3.85Å; Y536-V541 HydrophobicContact CE1-CG2 3.9Å
542	S	87.1	Confident	89.7	Confident	58 Å²	58	55.1 Å²	55.1	41%	0.406	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139.5	-178.8	57.1	0	0	0	0	110.5	Y534 C535	Y534-S542 CarbonylContact C-O 3.48Å; Y534-S542 WeakPolarHBondContact CA-O 3.33Å; C535-S542 PolarHBondContact N-O 3.05Å; C535-S542 PolarHBondContact O-N 3.34Å
543	R	91.7	Very high	89.9	Confident	109 Å²	109	52 Å²	52	41%	0.411	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	135.8	169.3	-173.8	-177.7	-66.9	-165	-4.5	108.6	E532 Y534	E532-R543 IonicContact OE1-NH1 2.95Å; Y534-R543 HydrophobicContact CD1-CB 4.48Å; Y534-R543 HydrophobicContact CE1-CB 4.3Å
544	T	92.9	Very high	89.8	Confident	20 Å²	20	54.8 Å²	54.8	12%	0.123	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	169.5	175.7	-173	0	0	0	0	109.7	W533 C535 I548 V549	W533-T544 HydrophobicContact CB-CG2 3.61Å; W533-T544 WeakPolarHBondContact CB-O 3.41Å; W533-T544 PolarHBondContact O-N 3.33Å; W533-T544 VanDerWaalsContact O-O 3.1Å; C535-T544 HydrophobicContact CB-CG2 4.29Å; T544-I548 WeakPolarHBondContact OG1-CG2 3.46Å; T544-V549 HydrophobicContact CG2-CG2 3.46Å; T544-V549 VanDerWaalsContact CG2-CG2 3.46Å
545	S	94.1	Very high	89.7	Confident	43 Å²	43	59.3 Å²	59.3	30%	0.301	30%	0.3	S	S	.	.			trans	-105.1	155.4	172.9	70.4	0	0	0	0	110.6	S547 I548 V549	S545-S547 VanDerWaalsContact C-N 3.26Å; S545-S547 PolarHBondContact O-N 3.04Å; S545-S547 PolarHBondContact OG-OG 2.96Å; S545-I548 PolarHBondContact O-N 3.18Å; S545-I548 WeakPolarHBondContact OG-CD1 2.98Å; S545-I548 VanDerWaalsContact OG-CG1 3.25Å; S545-I548 WeakPolarHBondContact OG-CG1 3.38Å; S545-I548 PolarHBondContact OG-N 3.12Å; S545-V549 WeakPolarHBondContact O-CG2 3.48Å; S545-V549 PolarHBondContact O-N 3.07Å
546	E	93.3	Very high	89.7	Confident	38 Å²	38	61 Å²	61	18%	0.178	31%	0.309	C	S	.	.	H	α-helix	trans	-55.6	-42.8	178	-167.7	161.2	164.1	0	0	112.2	T339 R504 W533 I548 V549 Q550	T339-E546 WeakPolarHBondContact CB-OE1 3.46Å; T339-E546 WeakPolarHBondContact CG2-OE1 3.31Å; T339-E546 PolarHBondContact OG1-OE1 2.71Å; R504-E546 IonicContact CZ-OE2 3.02Å; R504-E546 IonicContact NH2-OE1 2.78Å; R504-E546 IonicContact NH2-OE2 2.82Å; R504-E546 PolarHBondContact NH2-OE2 3.1Å; W533-E546 HydrophobicContact CZ2-CG 4.41Å; W533-E546 PolarHBondContact NE1-OE2 3.47Å; E546-I548 VanDerWaalsContact C-N 3.3Å; E546-I548 PolarHBondContact O-N 2.75Å; E546-V549 PolarHBondContact O-N 3.24Å; E546-Q550 VanDerWaalsContact O-CG 3.31Å; E546-Q550 WeakPolarHBondContact O-CG 3.35Å; E546-Q550 PolarHBondContact O-N 2.75Å
547	S	93.3	Very high	89.9	Confident	66 Å²	66	56.7 Å²	56.7	46%	0.462	29%	0.292	S	S	.	.	H	α-helix	trans	-61.6	-34.4	176.8	55.3	0	0	0	0	113.8	S545 K551	S545-S547 VanDerWaalsContact C-N 3.26Å; S545-S547 PolarHBondContact O-N 3.04Å; S545-S547 PolarHBondContact OG-OG 2.96Å; S547-K551 WeakPolarHBondContact O-CG 3.42Å; S547-K551 PolarHBondContact O-N 2.91Å
548	I	93.7	Very high	90	Very high	87 Å²	87	55.1 Å²	55.1	45%	0.446	28%	0.282	S	S	.	.	H	α-helix	trans	-72.9	-43.3	175.6	-69.1	168.2	0	0	0	109.5	T544 S545 E546 Q550 K551 K552	T544-I548 WeakPolarHBondContact OG1-CG2 3.46Å; S545-I548 PolarHBondContact O-N 3.18Å; S545-I548 WeakPolarHBondContact OG-CD1 2.98Å; S545-I548 VanDerWaalsContact OG-CG1 3.25Å; S545-I548 WeakPolarHBondContact OG-CG1 3.38Å; S545-I548 PolarHBondContact OG-N 3.12Å; E546-I548 VanDerWaalsContact C-N 3.3Å; E546-I548 PolarHBondContact O-N 2.75Å; I548-Q550 PolarHBondContact O-N 2.95Å; I548-K551 PolarHBondContact O-N 3.39Å; I548-K552 HydrophobicContact CG2-CB 4.48Å; I548-K552 WeakPolarHBondContact O-CB 3.37Å; I548-K552 PolarHBondContact O-N 2.96Å
549	V	94.5	Very high	90.5	Very high	1 Å²	1	56 Å²	56	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-59	-49.3	176.7	175.7	0	0	0	0	110.2	V508 D524 W533 T544 S545 E546 K551 R553	V508-V549 HydrophobicContact CB-CG1 4.45Å; V508-V549 HydrophobicContact CG2-CG1 4Å; D524-V549 HydrophobicContact CB-CG1 3.82Å; D524-V549 HydrophobicContact CB-CG2 3.89Å; W533-V549 HydrophobicContact CB-CG2 4.44Å; W533-V549 HydrophobicContact CD2-CG2 4.22Å; W533-V549 HydrophobicContact CE3-CG1 4.37Å; W533-V549 HydrophobicContact CE3-CG2 4Å; W533-V549 HydrophobicContact CG-CG2 4.43Å; W533-V549 HydrophobicContact CZ3-CG1 4.22Å; T544-V549 HydrophobicContact CG2-CG2 3.46Å; T544-V549 VanDerWaalsContact CG2-CG2 3.46Å; S545-V549 WeakPolarHBondContact O-CG2 3.48Å; S545-V549 PolarHBondContact O-N 3.07Å; E546-V549 PolarHBondContact O-N 3.24Å; V549-K551 PolarHBondContact O-N 3.12Å; V549-R553 HydrophobicContact CG1-CG 4.27Å; V549-R553 VanDerWaalsContact O-CB 3.31Å; V549-R553 WeakPolarHBondContact O-CB 3.32Å; V549-R553 VanDerWaalsContact O-CG 3.24Å; V549-R553 WeakPolarHBondContact O-CG 3.23Å; V549-R553 PolarHBondContact O-N 3.19Å
550	Q	93.7	Very high	91.3	Very high	43 Å²	43	54 Å²	54	20%	0.201	27%	0.272	C	S	.	.	H	α-helix	trans	-56.6	-51.5	179.3	-71	173.2	-34	0	0	111.4	I337 T339 E546 I548 E554	I337-Q550 HydrophobicContact CB-CB 4.49Å; I337-Q550 HydrophobicContact CB-CG 4.31Å; I337-Q550 WeakPolarHBondContact CD1-O 3.39Å; I337-Q550 HydrophobicContact CG2-CG 4.32Å; I337-Q550 VanDerWaalsContact O-CG 3.26Å; I337-Q550 WeakPolarHBondContact O-CG 3.39Å; I337-Q550 PolarHBondContact O-NE2 3.12Å; T339-Q550 PolarHBondContact OG1-NE2 3.27Å; E546-Q550 VanDerWaalsContact O-CG 3.31Å; E546-Q550 WeakPolarHBondContact O-CG 3.35Å; E546-Q550 PolarHBondContact O-N 2.75Å; I548-Q550 PolarHBondContact O-N 2.95Å; Q550-E554 WeakPolarHBondContact O-CG 3.44Å
551	K	92.8	Very high	92	Very high	156 Å²	156	53.5 Å²	53.5	68%	0.678	26%	0.264	S	S	*	.	H	α-helix	trans	-71.3	-42.8	-178.9	-70.1	-177.3	177.9	-173.8	0	114	S547 I548 V549 R553 E554	S547-K551 WeakPolarHBondContact O-CG 3.42Å; S547-K551 PolarHBondContact O-N 2.91Å; I548-K551 PolarHBondContact O-N 3.39Å; V549-K551 PolarHBondContact O-N 3.12Å; K551-R553 VanDerWaalsContact C-N 3.27Å; K551-R553 PolarHBondContact O-N 3.34Å; K551-E554 WeakPolarHBondContact O-CG 3.48Å
552	K	92.3	Very high	92.4	Very high	125 Å²	125	52.4 Å²	52.4	54%	0.543	26%	0.257	S	S	.	.	H	α-helix	trans	-69	-28.6	-175.4	-171.5	176.8	-179.9	178.6	0	111.6	I548	I548-K552 HydrophobicContact CG2-CB 4.48Å; I548-K552 WeakPolarHBondContact O-CB 3.37Å; I548-K552 PolarHBondContact O-N 2.96Å
553	R	93.7	Very high	92.6	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.015	24%	0.241	C	C	.	.	H	α-helix	trans	-100.9	1.1	-173.6	-52	-42.2	-176.5	175.1	3.6	114.5	I337 V508 S510 D524 C535 V549 K551 K555 N556 G557	I337-R553 HydrophobicContact CD1-CB 3.9Å; V508-R553 HydrophobicContact CG1-CB 4.1Å; V508-R553 HydrophobicContact CG1-CG 4.19Å; S510-R553 VanDerWaalsContact OG-CD 3.25Å; S510-R553 WeakPolarHBondContact OG-CD 3.2Å; S510-R553 WeakPolarHBondContact OG-CG 3.42Å; D524-R553 IonicContact OD1-CZ 3.92Å; D524-R553 IonicContact OD1-NE 3.21Å; D524-R553 IonicContact OD1-NH2 3.58Å; D524-R553 PolarHBondContact OD1-NH2 3.08Å; D524-R553 WeakPolarHBondContact OD2-CG 3.15Å; D524-R553 IonicContact OD2-CZ 3.78Å; D524-R553 VanDerWaalsContact OD2-CZ 3.28Å; D524-R553 IonicContact OD2-NE 2.71Å; D524-R553 PolarHBondContact OD2-NE 3.13Å; D524-R553 IonicContact OD2-NH2 3.69Å; D524-R553 PolarHBondContact OD2-NH2 3.27Å; D524-R553 VanDerWaalsContact OD2-NH2 3.14Å; C535-R553 PolarHBondContact SG-NH2 2.81Å; V549-R553 HydrophobicContact CG1-CG 4.27Å; V549-R553 VanDerWaalsContact O-CB 3.31Å; V549-R553 WeakPolarHBondContact O-CB 3.32Å; V549-R553 VanDerWaalsContact O-CG 3.24Å; V549-R553 WeakPolarHBondContact O-CG 3.23Å; V549-R553 PolarHBondContact O-N 3.19Å; K551-R553 VanDerWaalsContact C-N 3.27Å; K551-R553 PolarHBondContact O-N 3.34Å; R553-K555 VanDerWaalsContact C-N 3.27Å; R553-K555 PolarHBondContact O-N 2.9Å; R553-N556 PolarHBondContact O-N 3.15Å; R553-N556 VanDerWaalsContact O-N 3.15Å; R553-G557 PolarHBondContact O-N 3.26Å
554	E	92.5	Very high	92.4	Very high	64 Å²	64	45.4 Å²	45.4	30%	0.299	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-38.6	-178.6	-58.4	-179.3	166.3	0	0	113.6	R318 A334 I335 Q550 K551	R318-E554 PolarHBondContact NH2-O 3.15Å; A334-E554 HydrophobicContact CB-CB 3.95Å; I335-E554 WeakPolarHBondContact CG1-O 3.32Å; I335-E554 PolarHBondContact N-O 2.8Å; I335-E554 WeakPolarHBondContact O-CA 3.46Å; I335-E554 WeakPolarHBondContact O-CB 3.43Å; Q550-E554 WeakPolarHBondContact O-CG 3.44Å; K551-E554 WeakPolarHBondContact O-CG 3.48Å
555	K	90.7	Very high	92	Very high	101 Å²	101	48.1 Å²	48.1	44%	0.439	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-14	-179.1	-62.1	-178.8	-178.6	176.8	0	113.7	R318 A334 R553	R318-K555 PolarHBondContact NH1-O 2.93Å; R318-K555 VanDerWaalsContact NH1-O 3.16Å; A334-K555 HydrophobicContact CB-CG 4.13Å; R553-K555 VanDerWaalsContact C-N 3.27Å; R553-K555 PolarHBondContact O-N 2.9Å
556	N	91.2	Very high	91.4	Very high	44 Å²	44	50.1 Å²	50.1	24%	0.235	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.7	-9.4	-168.1	-68.2	-47.5	0	0	0	114.8	K330 S510 H511 R553 Y558	K330-N556 PolarHBondContact NZ-OD1 3.29Å; S510-N556 CarbonylContact C-O 3.56Å; S510-N556 VanDerWaalsContact CA-O 3.25Å; S510-N556 WeakPolarHBondContact CA-O 3.42Å; S510-N556 WeakPolarHBondContact CB-O 3.34Å; H511-N556 PolarHBondContact N-O 3.45Å; R553-N556 PolarHBondContact O-N 3.15Å; R553-N556 VanDerWaalsContact O-N 3.15Å; N556-Y558 WeakPolarHBondContact O-CD2 3.43Å
557	G	92.1	Very high	90.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	130.8	178	0	0	0	0	0	111.9	R318 R553	R318-G557 PolarHBondContact NE-O 3.39Å; R318-G557 PolarHBondContact NH2-O 3.16Å; R318-G557 VanDerWaalsContact NH2-O 3.1Å; R553-G557 PolarHBondContact O-N 3.26Å
558	Y	88.8	Confident	89.8	Confident	18 Å²	18	48.8 Å²	48.8	7%	0.071	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-42	-176.7	-85.4	-106.8	0	0	0	112.8	H315 V316 R318 Y319 V509 H511 N556	H315-Y558 WeakPolarHBondContact CA-O 3.37Å; V316-Y558 PolarHBondContact N-O 3.41Å; R318-Y558 HydrophobicContact CB-CE1 3.81Å; R318-Y558 HydrophobicContact CB-CE2 4.28Å; R318-Y558 WeakPolarHBondContact CB-OH 3.47Å; R318-Y558 HydrophobicContact CG-CE1 4.27Å; R318-Y558 HydrophobicContact CG-CE2 4.32Å; Y319-Y558 AromaticContact CD2-CE1 3.94Å; Y319-Y558 HydrophobicContact CD2-CE1 3.94Å; Y319-Y558 WeakPolarHBondContact CD2-OH 3.47Å; Y319-Y558 AromaticContact CE2-CE1 3.82Å; Y319-Y558 HydrophobicContact CE2-CE1 3.82Å; Y319-Y558 AromaticContact CE2-CZ 3.57Å; Y319-Y558 WeakPolarHBondContact CE2-OH 3.37Å; Y319-Y558 PolarHBondContact OH-OH 3.34Å; V509-Y558 PolarHBondContact O-N 3.44Å; H511-Y558 HydrophobicContact CB-CD2 3.62Å; H511-Y558 HydrophobicContact CB-CE2 3.49Å; H511-Y558 VanDerWaalsContact CB-CE2 3.49Å; H511-Y558 HydrophobicContact CB-CG 4.38Å; N556-Y558 WeakPolarHBondContact O-CD2 3.43Å
559	I	92.8	Very high	88.7	Confident	52 Å²	52	47 Å²	47	27%	0.267	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.5	-178.2	-51	172.5	0	0	0	108	I313 L314 V508 V509 F561	I313-I559 HydrophobicContact CG2-CG2 3.57Å; L314-I559 WeakPolarHBondContact O-CA 3.18Å; V508-I559 WeakPolarHBondContact CA-O 3.4Å; V509-I559 HydrophobicContact CB-CB 4.11Å; V509-I559 PolarHBondContact N-O 3.04Å; V509-I559 PolarHBondContact O-N 3.43Å; V509-I559 VanDerWaalsContact O-N 3.16Å; I559-F561 HydrophobicContact CB-CE2 4.24Å; I559-F561 HydrophobicContact CG2-CD2 4.2Å; I559-F561 HydrophobicContact CG2-CE1 4.4Å; I559-F561 HydrophobicContact CG2-CE2 3.54Å; I559-F561 HydrophobicContact CG2-CZ 3.67Å
560	F	94.1	Very high	87.2	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.018	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.5	178.1	-55.4	-96.1	0	0	0	109.1	I313 L314 V316 I335 I337 L505 V508 Y562	I313-F560 WeakPolarHBondContact CA-O 3.36Å; L314-F560 HydrophobicContact CB-CB 4.23Å; L314-F560 HydrophobicContact CB-CD2 4.49Å; L314-F560 PolarHBondContact N-O 3.37Å; L314-F560 PolarHBondContact O-N 2.91Å; V316-F560 HydrophobicContact CB-CE2 4.42Å; V316-F560 HydrophobicContact CG2-CD2 4Å; V316-F560 HydrophobicContact CG2-CE2 3.65Å; I335-F560 HydrophobicContact CD1-CE2 3.63Å; I335-F560 HydrophobicContact CD1-CZ 3.62Å; I335-F560 HydrophobicContact CG1-CZ 4.45Å; I337-F560 HydrophobicContact CD1-CE1 3.51Å; I337-F560 HydrophobicContact CD1-CZ 4.03Å; I337-F560 HydrophobicContact CG1-CD1 4.41Å; I337-F560 HydrophobicContact CG1-CE1 3.63Å; I337-F560 HydrophobicContact CG1-CZ 4.15Å; I337-F560 HydrophobicContact CG2-CD1 4.07Å; I337-F560 HydrophobicContact CG2-CE1 4.02Å; L505-F560 HydrophobicContact CD1-CB 4.26Å; L505-F560 HydrophobicContact CD1-CD1 4.25Å; V508-F560 HydrophobicContact CB-CD1 4.34Å; V508-F560 HydrophobicContact CB-CE1 4.43Å; V508-F560 HydrophobicContact CG1-CD1 3.81Å; V508-F560 HydrophobicContact CG1-CE1 3.5Å; V508-F560 VanDerWaalsContact CG1-CE1 3.5Å; V508-F560 HydrophobicContact CG1-CZ 4.21Å; V508-F560 HydrophobicContact CG2-CD1 3.8Å; V508-F560 HydrophobicContact CG2-CE1 4.11Å; F560-Y562 HydrophobicContact CB-CD2 4.07Å; F560-Y562 HydrophobicContact CB-CE2 3.64Å
561	F	93.8	Very high	85.5	Confident	63 Å²	63	54.6 Å²	54.6	28%	0.276	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	121.3	177	-62	-93.9	0	0	0	108.6	I311 I313 S506 A507 V509 I559	I311-F561 HydrophobicContact CG2-CD1 4.48Å; I313-F561 HydrophobicContact CD1-CD1 4.17Å; I313-F561 HydrophobicContact CD1-CE1 3.87Å; I313-F561 HydrophobicContact CG1-CD1 3.86Å; I313-F561 HydrophobicContact CG1-CE1 4Å; I313-F561 HydrophobicContact CG2-CD1 4.46Å; I313-F561 HydrophobicContact CG2-CE1 4.21Å; S506-F561 PolarHBondContact N-O 3.48Å; A507-F561 HydrophobicContact CB-CB 4.06Å; A507-F561 HydrophobicContact CB-CD2 3.84Å; A507-F561 HydrophobicContact CB-CG 4.27Å; A507-F561 PolarHBondContact N-O 3.43Å; A507-F561 PolarHBondContact O-N 3.12Å; V509-F561 HydrophobicContact CG2-CE2 3.94Å; I559-F561 HydrophobicContact CB-CE2 4.24Å; I559-F561 HydrophobicContact CG2-CD2 4.2Å; I559-F561 HydrophobicContact CG2-CE1 4.4Å; I559-F561 HydrophobicContact CG2-CE2 3.54Å; I559-F561 HydrophobicContact CG2-CZ 3.67Å
562	Y	92	Very high	83.8	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.016	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.7	176.6	-76.8	-96	0	0	0	109.1	I311 L312 L314 P338 L341 F503 R504 L505 F560	I311-Y562 CarbonylContact C-O 3.54Å; I311-Y562 VanDerWaalsContact CA-O 3.29Å; I311-Y562 WeakPolarHBondContact CA-O 3.43Å; L312-Y562 PolarHBondContact N-O 2.77Å; L312-Y562 PolarHBondContact O-N 2.74Å; L314-Y562 HydrophobicContact CD1-CD2 4.17Å; L314-Y562 HydrophobicContact CD1-CE2 3.84Å; L314-Y562 HydrophobicContact CG-CD2 4.43Å; P338-Y562 WeakPolarHBondContact CD-OH 3.4Å; P338-Y562 WeakPolarHBondContact O-CE1 3.46Å; P338-Y562 PolarHBondContact O-OH 3.2Å; P338-Y562 VanDerWaalsContact O-OH 3.04Å; L341-Y562 HydrophobicContact CB-CD1 4.1Å; L341-Y562 HydrophobicContact CB-CE1 3.94Å; F503-Y562 HydrophobicContact CB-CD1 4.38Å; F503-Y562 HydrophobicContact CB-CG 4.45Å; F503-Y562 WeakPolarHBondContact O-CD1 3.25Å; R504-Y562 CarbonylContact O-C 3.12Å; R504-Y562 VanDerWaalsContact O-CA 3.24Å; R504-Y562 WeakPolarHBondContact O-CA 3.5Å; L505-Y562 HydrophobicContact CB-CD1 4.02Å; L505-Y562 HydrophobicContact CB-CE1 3.64Å; L505-Y562 HydrophobicContact CD1-CD1 4.38Å; L505-Y562 HydrophobicContact CD1-CD2 4.08Å; L505-Y562 HydrophobicContact CD1-CE1 3.91Å; L505-Y562 HydrophobicContact CD1-CE2 3.58Å; L505-Y562 HydrophobicContact CD1-CG 4.44Å; L505-Y562 VanDerWaalsContact CD1-CZ 3.48Å; L505-Y562 HydrophobicContact CG-CE1 4.37Å; L505-Y562 VanDerWaalsContact N-CD1 3.27Å; F560-Y562 HydrophobicContact CB-CD2 4.07Å; F560-Y562 HydrophobicContact CB-CE2 3.64Å
563	V	90.3	Very high	81.6	Confident	14 Å²	14	51.2 Å²	51.2	9%	0.085	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.4	-178.4	-179.6	0	0	0	0	109.4	E310 I311 F503 R504 K565 L567 L568	E310-V563 CarbonylContact O-C 3.16Å; E310-V563 WeakPolarHBondContact O-CA 3.49Å; I311-V563 HydrophobicContact CG1-CG2 4.48Å; F503-V563 CarbonylContact C-O 3.55Å; F503-V563 VanDerWaalsContact CA-O 3.27Å; F503-V563 WeakPolarHBondContact CA-O 3.45Å; R504-V563 PolarHBondContact N-O 2.75Å; R504-V563 PolarHBondContact O-N 3.09Å; V563-K565 PolarHBondContact O-N 2.93Å; V563-L567 HydrophobicContact CG1-CB 4.36Å; V563-L567 HydrophobicContact CG1-CD2 3.86Å; V563-L568 HydrophobicContact CB-CD1 4.47Å; V563-L568 HydrophobicContact CB-CD2 4.32Å; V563-L568 HydrophobicContact CB-CG 4.46Å; V563-L568 HydrophobicContact CG1-CD2 3.84Å; V563-L568 HydrophobicContact CG1-CG 4.02Å
564	D	88.1	Confident	78.9	Confident	6 Å²	6	60.9 Å²	60.9	3%	0.032	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	126.7	179.1	-172.3	-27.6	0	0	0	109.4	E310 F503 K566 L567 L568	E310-D564 HydrophobicContact CB-CB 3.95Å; E310-D564 HydrophobicContact CG-CB 4.23Å; E310-D564 PolarHBondContact O-N 3.3Å; F503-D564 HydrophobicContact CD1-CB 3.99Å; F503-D564 HydrophobicContact CE1-CB 3.92Å; D564-K566 PolarHBondContact O-N 2.91Å; D564-K566 VanDerWaalsContact O-N 3.14Å; D564-K566 WeakPolarHBondContact OD1-CB 3.33Å; D564-K566 PolarHBondContact OD1-N 2.77Å; D564-L567 WeakPolarHBondContact O-CB 3.33Å; D564-L567 PolarHBondContact O-N 3.47Å; D564-L568 PolarHBondContact O-N 2.98Å
565	K	84.6	Confident	78.2	Confident	78 Å²	78	60.8 Å²	60.8	34%	0.339	32%	0.318	S	S	.	.	H	α-helix	trans	-55.7	-31.6	179.7	-177.9	175.6	176.1	174	0	112	F340 E496 G497 S502 V563 L568 A569	F340-K565 HydrophobicContact CD1-CD 4.37Å; F340-K565 HydrophobicContact CE1-CB 4.44Å; F340-K565 HydrophobicContact CE1-CD 3.87Å; F340-K565 HydrophobicContact CE1-CG 4.16Å; E496-K565 PolarHBondContact O-NZ 2.73Å; G497-K565 VanDerWaalsContact C-NZ 3.27Å; G497-K565 WeakPolarHBondContact O-CD 3.22Å; G497-K565 PolarHBondContact O-NZ 2.97Å; S502-K565 WeakPolarHBondContact O-CB 3.46Å; S502-K565 PolarHBondContact O-N 2.76Å; V563-K565 PolarHBondContact O-N 2.93Å; K565-L568 PolarHBondContact O-N 2.68Å; K565-A569 PolarHBondContact O-N 2.92Å
566	K	80.8	Confident	77.6	Confident	84 Å²	84	58.6 Å²	58.6	37%	0.365	31%	0.312	S	S	.	.	H	α-helix	trans	-63.2	-41.1	177.4	-66	-170.7	179.2	-168.3	0	111.9	E353 D564 L568 A569 D570	E353-K566 IonicContact OE1-NZ 3.12Å; E353-K566 PolarHBondContact OE1-NZ 3.32Å; D564-K566 PolarHBondContact O-N 2.91Å; D564-K566 VanDerWaalsContact O-N 3.14Å; D564-K566 WeakPolarHBondContact OD1-CB 3.33Å; D564-K566 PolarHBondContact OD1-N 2.77Å; K566-L568 VanDerWaalsContact C-N 3.26Å; K566-L568 PolarHBondContact O-N 2.94Å; K566-A569 PolarHBondContact O-N 3.44Å; K566-D570 PolarHBondContact O-N 3.34Å
567	L	77.9	Confident	76.8	Confident	55 Å²	55	59.4 Å²	59.4	29%	0.288	32%	0.316	S	S	.	.	H	α-helix	trans	-64.9	-34.3	177.1	-174.9	66.6	0	0	0	111.7	E310 V563 D564 D570 L571	E310-L567 HydrophobicContact CB-CD2 4.1Å; E310-L567 WeakPolarHBondContact OE2-CD1 3.42Å; V563-L567 HydrophobicContact CG1-CB 4.36Å; V563-L567 HydrophobicContact CG1-CD2 3.86Å; D564-L567 WeakPolarHBondContact O-CB 3.33Å; D564-L567 PolarHBondContact O-N 3.47Å; L567-D570 PolarHBondContact O-N 3.36Å; L567-L571 PolarHBondContact O-N 3.48Å
568	L	75.4	Confident	75.9	Confident	21 Å²	21	62.9 Å²	62.9	11%	0.11	34%	0.335	C	S	.	.	H	α-helix	trans	-73.1	-31.9	178.3	-60	176.6	0	0	0	112.8	R504 W528 V563 D564 K565 K566 D570 L571 S572	R504-L568 HydrophobicContact CB-CD1 3.56Å; R504-L568 HydrophobicContact CG-CD1 4.24Å; W528-L568 HydrophobicContact CD2-CD2 3.92Å; W528-L568 HydrophobicContact CE3-CD2 3.85Å; W528-L568 HydrophobicContact CH2-CD1 3.31Å; W528-L568 HydrophobicContact CH2-CD2 3.57Å; W528-L568 HydrophobicContact CH2-CG 4.07Å; W528-L568 HydrophobicContact CZ2-CD1 3.99Å; W528-L568 HydrophobicContact CZ2-CD2 3.56Å; W528-L568 HydrophobicContact CZ2-CG 4.44Å; W528-L568 HydrophobicContact CZ3-CD1 3.67Å; W528-L568 HydrophobicContact CZ3-CD2 3.7Å; W528-L568 HydrophobicContact CZ3-CG 4.22Å; V563-L568 HydrophobicContact CB-CD1 4.47Å; V563-L568 HydrophobicContact CB-CD2 4.32Å; V563-L568 HydrophobicContact CB-CG 4.46Å; V563-L568 HydrophobicContact CG1-CD2 3.84Å; V563-L568 HydrophobicContact CG1-CG 4.02Å; D564-L568 PolarHBondContact O-N 2.98Å; K565-L568 PolarHBondContact O-N 2.68Å; K566-L568 VanDerWaalsContact C-N 3.26Å; K566-L568 PolarHBondContact O-N 2.94Å; L568-D570 VanDerWaalsContact C-N 3.31Å; L568-L571 HydrophobicContact CD2-CD1 4.17Å; L568-L571 PolarHBondContact O-N 3.44Å; L568-S572 PolarHBondContact O-N 2.83Å
569	A	70.8	Confident	75.1	Confident	51 Å²	51	65.8 Å²	65.8	42%	0.421	35%	0.351	S	S	.	.	H	α-helix	trans	-62.4	-41.8	174	0	0	0	0	0	111	K565 K566 L571 S572	K565-A569 PolarHBondContact O-N 2.92Å; K566-A569 PolarHBondContact O-N 3.44Å; A569-L571 VanDerWaalsContact C-N 3.33Å; A569-L571 PolarHBondContact O-N 3.2Å; A569-S572 PolarHBondContact O-N 3.16Å; A569-S572 PolarHBondContact O-OG 3.33Å
570	D	62.7	Low	73.9	Confident	101 Å²	101	66.7 Å²	66.7	54%	0.54	36%	0.357	S	S	.	.	H	α-helix	trans	-63.8	-37.1	176.4	-70.8	-15.9	0	0	0	112.3	K566 L567 L568 S572 L573	K566-D570 PolarHBondContact O-N 3.34Å; L567-D570 PolarHBondContact O-N 3.36Å; L568-D570 VanDerWaalsContact C-N 3.31Å; D570-S572 VanDerWaalsContact C-N 3.3Å; D570-S572 PolarHBondContact O-N 2.74Å; D570-L573 PolarHBondContact O-N 3.46Å
571	L	59.2	Low	72.5	Confident	101 Å²	101	71.1 Å²	71.1	53%	0.529	38%	0.381	S	S	.	.	H	α-helix	trans	-70.4	-22.6	176.4	-74.7	166.1	0	0	0	113.9	L567 L568 A569 L573	L567-L571 PolarHBondContact O-N 3.48Å; L568-L571 HydrophobicContact CD2-CD1 4.17Å; L568-L571 PolarHBondContact O-N 3.44Å; A569-L571 VanDerWaalsContact C-N 3.33Å; A569-L571 PolarHBondContact O-N 3.2Å; L571-L573 VanDerWaalsContact C-N 3.29Å
572	S	56.8	Low	70.8	Confident	68 Å²	68	71.8 Å²	71.8	48%	0.476	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-6.8	179.9	71	0	0	0	0	114.4	L568 A569 D570	L568-S572 PolarHBondContact O-N 2.83Å; A569-S572 PolarHBondContact O-N 3.16Å; A569-S572 PolarHBondContact O-OG 3.33Å; D570-S572 VanDerWaalsContact C-N 3.3Å; D570-S572 PolarHBondContact O-N 2.74Å
573	L	44.9	Very low	69.1	Low	142 Å²	142	77.4 Å²	77.4	74%	0.743	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-12.1	179.8	-73.2	165.4	0	0	0	113.7	D570 L571	D570-L573 PolarHBondContact O-N 3.46Å; L571-L573 VanDerWaalsContact C-N 3.29Å
574	D	37.4	Very low	67.1	Low	208 Å²	208	83.2 Å²	83.2	100%	1.112	45%	0.451	S	S	*	.			trans	-99.2	0	173.1	-75.2	-19.7	0	0	0	111.3

Retrieved 574 of 574 residues in 85.7 ms (Link to these results)

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