A0A087X5V6_POEFO Loading...

Protein kinase C eta type

AlphaFold DB , UniProt , Accession A0A087X5V6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 526 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	R	35.7	Very low	31.3	Very low	306 Å²	306	200.7 Å²	200.7	100%	1.155	88%	0.883	S	S	*	*				0	130	0	-101.9	176.9	174.8	173.3	-2.3	107.9
2	V	29.6	Very low	31.6	Very low	131 Å²	131	204.2 Å²	204.2	79%	0.794	89%	0.886	S	S	*	*			trans	-65.8	133.4	-163.6	177.6	0	0	0	0	113.2	R4	V2-R4 PolarHBondContact O-N 3Å
3	F	27.5	Very low	31.7	Very low	211 Å²	211	203 Å²	203	93%	0.925	89%	0.885	S	S	*	*			trans	-65.7	113.4	161.4	-100	-99.5	0	0	0	108.9
4	R	31.7	Very low	31.7	Very low	239 Å²	239	193 Å²	193	90%	0.902	87%	0.869	S	S	*	*			trans	-98.2	103.1	170.9	-105.2	-176.9	176.9	178	-0.5	109.9	V2 R6	V2-R4 PolarHBondContact O-N 3Å; R4-R6 PolarHBondContact O-N 3.31Å
5	Q	31.2	Very low	31.7	Very low	168 Å²	168	187 Å²	187	79%	0.785	87%	0.867	S	S	*	*			trans	-66.8	113.5	169.1	-158.2	174.6	21.1	0	0	109	M7	Q5-M7 PolarHBondContact O-N 3.05Å
6	R	30.4	Very low	31.8	Very low	244 Å²	244	183.4 Å²	183.4	92%	0.921	86%	0.862	S	S	*	*			trans	-90.1	95.7	164.9	-95	-177	169.6	177.4	-2.7	108.3	R4 Q8	R4-R6 PolarHBondContact O-N 3.31Å; R6-Q8 PolarHBondContact O-N 3.4Å
7	M	31.5	Very low	32.2	Very low	162 Å²	162	186.8 Å²	186.8	80%	0.798	87%	0.865	S	S	*	*			trans	-72	113.7	158.5	-78.6	-163	176.9	0	0	108.8	Q5	Q5-M7 PolarHBondContact O-N 3.05Å
8	Q	31.7	Very low	33.1	Very low	178 Å²	178	186.2 Å²	186.2	83%	0.832	85%	0.854	S	S	*	*			trans	-125.9	132.5	147.1	-80.1	-173.9	-0.2	0	0	107.4	R6 R10	R6-Q8 PolarHBondContact O-N 3.4Å; Q8-R10 PolarHBondContact O-N 2.92Å; Q8-R10 VanDerWaalsContact O-N 3.17Å
9	P	32	Very low	34.8	Very low	125 Å²	125	187.7 Å²	187.7	81%	0.812	85%	0.852	S	S	*	*			trans	-70.2	115.9	-174.3	27.9	-31.5	0	0	0	109.1	K11	P9-K11 PolarHBondContact O-N 2.96Å
10	R	32.9	Very low	36.8	Very low	242 Å²	242	182.2 Å²	182.2	91%	0.913	83%	0.832	S	S	*	*			trans	-56.5	109.5	158.3	-95	178.9	160.6	168.9	-5.6	106.4	Q8 R12	Q8-R10 PolarHBondContact O-N 2.92Å; Q8-R10 VanDerWaalsContact O-N 3.17Å; R10-R12 PolarHBondContact O-N 3.02Å
11	K	30.4	Very low	38.9	Very low	202 Å²	202	175.9 Å²	175.9	88%	0.878	80%	0.804	S	S	*	*			trans	-46.2	114.7	165.1	-80.2	179	175	178.1	0	106.8	P9 Q13	P9-K11 PolarHBondContact O-N 2.96Å; K11-Q13 VanDerWaalsContact C-N 3.35Å; K11-Q13 PolarHBondContact O-N 2.83Å
12	R	34.9	Very low	41.2	Very low	242 Å²	242	167.8 Å²	167.8	91%	0.913	78%	0.779	S	S	*	*			trans	-55.7	104.4	165.1	-77.4	177.6	170.9	175.6	-3.2	105.7	R10 G14	R10-R12 PolarHBondContact O-N 3.02Å; R12-G14 PolarHBondContact O-N 2.91Å; R12-G14 VanDerWaalsContact O-N 3.13Å
13	Q	33	Very low	43.7	Very low	189 Å²	189	162.7 Å²	162.7	88%	0.883	75%	0.748	S	S	*	*			trans	-52.6	121.8	160.6	-79.8	179.5	-16.8	0	0	105.6	K11 A15	K11-Q13 VanDerWaalsContact C-N 3.35Å; K11-Q13 PolarHBondContact O-N 2.83Å; Q13-A15 PolarHBondContact O-N 2.8Å
14	G	31.7	Very low	45.9	Very low	63 Å²	63	154.9 Å²	154.9	65%	0.649	72%	0.716	S	S	*	*			trans	-49.5	132.9	-171.8	0	0	0	0	0	110.6	R12 V16	R12-G14 PolarHBondContact O-N 2.91Å; R12-G14 VanDerWaalsContact O-N 3.13Å; G14-V16 PolarHBondContact O-N 3.17Å
15	A	31.3	Very low	48	Very low	103 Å²	103	144.6 Å²	144.6	85%	0.851	69%	0.685	S	S	*	*			trans	-56.2	106.3	164.8	0	0	0	0	0	107	Q13 R17	Q13-A15 PolarHBondContact O-N 2.8Å; A15-R17 PolarHBondContact O-N 2.77Å
16	V	33.2	Very low	50.5	Low	129 Å²	129	136.7 Å²	136.7	78%	0.782	65%	0.648	S	S	*	*			trans	-61	104.9	173.8	180	0	0	0	0	106.2	G14 R18	G14-V16 PolarHBondContact O-N 3.17Å; V16-R18 PolarHBondContact O-N 3.41Å
17	R	38.9	Very low	53.1	Low	242 Å²	242	129.3 Å²	129.3	91%	0.913	62%	0.622	S	S	*	*			trans	-61.6	99.5	175.3	-133.8	178.2	-178.8	-179.3	-0.5	106.7	A15 R19	A15-R17 PolarHBondContact O-N 2.77Å; R17-R19 PolarHBondContact O-N 2.85Å
18	R	49.1	Very low	55.8	Low	175 Å²	175	121.6 Å²	121.6	66%	0.66	58%	0.584	S	S	*	*			trans	-65	117.3	177.2	-67	180	-180	-178.7	0.5	107.2	V16 V20 M29	V16-R18 PolarHBondContact O-N 3.41Å; R18-V20 PolarHBondContact O-N 2.73Å; R18-M29 HydrophobicContact CB-CE 3.89Å; R18-M29 HydrophobicContact CG-CE 4.42Å
19	R	63.7	Low	58.3	Low	216 Å²	216	114.9 Å²	114.9	82%	0.815	55%	0.553	S	S	*	*			trans	-61.6	124.3	173.3	-79.9	-175.6	-130.1	-173.1	2.6	109	R17	R17-R19 PolarHBondContact O-N 2.85Å
20	V	76.4	Confident	60.7	Low	76 Å²	76	110 Å²	110	46%	0.461	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	123.5	173.3	-177.4	0	0	0	0	106.8	R18 K27 M29	R18-V20 PolarHBondContact O-N 2.73Å; V20-K27 HydrophobicContact CG1-CB 3.95Å; V20-K27 HydrophobicContact CG1-CG 4.48Å; V20-M29 HydrophobicContact CB-CG 4.48Å; V20-M29 HydrophobicContact CG1-CG 4.26Å; V20-M29 HydrophobicContact CG2-CG 3.95Å; V20-M29 HydrophobicContact CG2-SD 4.06Å
21	H	80.1	Confident	62.7	Low	51 Å²	51	100 Å²	100	24%	0.236	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122	176.7	-66.7	-104	0	0	0	108.9	F28 Y55 H69	H21-F28 HydrophobicContact CB-CB 4.2Å; H21-F28 PolarHBondContact N-O 3.35Å; H21-F28 PolarHBondContact O-N 2.89Å; H21-Y55 HydrophobicContact CB-CE2 4.32Å; H21-Y55 AromaticContact CD2-CE2 3.47Å; H21-Y55 VanDerWaalsContact CD2-CE2 3.47Å; H21-Y55 WeakPolarHBondContact CD2-CE2 3.32Å; H21-Y55 AromaticContact CD2-CZ 3.72Å; H21-Y55 AromaticContact CG-CE2 3.74Å; H21-Y55 AromaticContact NE2-CE2 3.75Å; H21-Y55 AromaticContact NE2-CZ 3.67Å; H21-Y55 PolarHBondContact NE2-OH 3.23Å; H21-H69 AromaticContact CE1-NE2 3.85Å; H21-H69 AromaticContact CG-CD2 3.89Å; H21-H69 AromaticContact CG-NE2 3.45Å; H21-H69 AromaticContact ND1-CD2 3.91Å; H21-H69 AromaticContact ND1-CE1 3.85Å; H21-H69 AromaticContact ND1-NE2 3.02Å; H21-H69 PolarHBondContact ND1-NE2 2.88Å
22	Q	84.3	Confident	64.9	Low	135 Å²	135	97 Å²	97	63%	0.631	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	111.4	-178.3	-166	167.4	5.3	0	0	110.4	H26	Q22-H26 VanDerWaalsContact CA-O 3.29Å; Q22-H26 WeakPolarHBondContact CA-O 3.49Å
23	V	81.1	Confident	66.7	Low	24 Å²	24	86.3 Å²	86.3	15%	0.145	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	119.9	-178.1	-176.6	0	0	0	0	108.7	G25 H26 F28 H69	V23-G25 PolarHBondContact O-N 2.76Å; V23-H26 PolarHBondContact N-O 3.21Å; V23-H26 VanDerWaalsContact N-O 3.09Å; V23-H26 VanDerWaalsContact O-CB 3.28Å; V23-H26 WeakPolarHBondContact O-CB 3.2Å; V23-H26 PolarHBondContact O-N 3.1Å; V23-F28 HydrophobicContact CB-CD2 4.44Å; V23-F28 HydrophobicContact CB-CE2 4.39Å; V23-H69 WeakPolarHBondContact CG1-O 3.46Å
24	N	74.4	Confident	67.8	Low	47 Å²	47	89.3 Å²	89.3	25%	0.251	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	39.8	178.5	-68.4	-40.3	0	0	0	114.4	H26 I72 T74 K75 C76 R94	N24-H26 VanDerWaalsContact C-N 3.29Å; N24-H26 PolarHBondContact O-N 3.09Å; N24-I72 PolarHBondContact ND2-O 2.81Å; N24-T74 WeakPolarHBondContact CB-O 3.34Å; N24-K75 VanDerWaalsContact O-CA 3.29Å; N24-K75 WeakPolarHBondContact O-CA 3.45Å; N24-C76 PolarHBondContact O-N 3.28Å; N24-R94 PolarHBondContact OD1-NH1 3.36Å
25	G	76.4	Confident	69	Low	24 Å²	24	91.1 Å²	91.1	25%	0.247	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	-6.3	-179.3	0	0	0	0	0	115.1	V23 C76 M79	V23-G25 PolarHBondContact O-N 2.76Å; G25-C76 WeakPolarHBondContact O-CB 3.49Å; G25-M79 VanDerWaalsContact O-CE 3.23Å; G25-M79 WeakPolarHBondContact O-CE 3.43Å; G25-M79 WeakPolarHBondContact O-CG 3.34Å
26	H	82.4	Confident	70.5	Confident	1 Å²	1	89.4 Å²	89.4	1%	0.005	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	134.7	169.9	-66.6	-93.9	0	0	0	110.2	Q22 V23 N24 F28 C57 C60 T74 C76	Q22-H26 VanDerWaalsContact CA-O 3.29Å; Q22-H26 WeakPolarHBondContact CA-O 3.49Å; V23-H26 PolarHBondContact N-O 3.21Å; V23-H26 VanDerWaalsContact N-O 3.09Å; V23-H26 VanDerWaalsContact O-CB 3.28Å; V23-H26 WeakPolarHBondContact O-CB 3.2Å; V23-H26 PolarHBondContact O-N 3.1Å; N24-H26 VanDerWaalsContact C-N 3.29Å; N24-H26 PolarHBondContact O-N 3.09Å; H26-F28 HydrophobicContact CB-CD2 3.77Å; H26-F28 HydrophobicContact CB-CE1 4.36Å; H26-F28 HydrophobicContact CB-CE2 3.33Å; H26-F28 HydrophobicContact CB-CG 4.46Å; H26-F28 HydrophobicContact CB-CZ 3.66Å; H26-F28 AromaticContact CG-CE2 3.88Å; H26-F28 AromaticContact CG-CZ 3.81Å; H26-F28 AromaticContact ND1-CZ 3.96Å; H26-C57 HydrophobicContact CB-CB 4.47Å; H26-C57 PolarHBondContact ND1-SG 2.78Å; H26-C60 PolarHBondContact CE1-SG 2.87Å; H26-C60 PolarHBondContact ND1-SG 3.34Å; H26-T74 PolarHBondContact NE2-O 2.91Å; H26-C76 HydrophobicContact CB-CB 4.37Å; H26-C76 VanDerWaalsContact NE2-CA 3.35Å; H26-C76 WeakPolarHBondContact NE2-CA 3.34Å; H26-C76 PolarHBondContact NE2-N 3.12Å
27	K	86.4	Confident	72.2	Confident	90 Å²	90	83.4 Å²	83.4	39%	0.391	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	85.7	171.5	-66.6	-178.2	-179.8	177.6	0	109.3	V20 C57 Q58 V59 M79	V20-K27 HydrophobicContact CG1-CB 3.95Å; V20-K27 HydrophobicContact CG1-CG 4.48Å; K27-C57 PolarHBondContact N-SG 2.76Å; K27-C57 WeakPolarHBondContact O-CA 3.42Å; K27-Q58 PolarHBondContact O-N 2.83Å; K27-V59 HydrophobicContact CB-CG2 4.39Å; K27-V59 HydrophobicContact CD-CG2 4.34Å; K27-V59 HydrophobicContact CG-CG2 4.45Å; K27-M79 HydrophobicContact CD-CE 4.43Å; K27-M79 HydrophobicContact CG-CE 4.37Å
28	F	88	Confident	73.9	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	127.4	-177.8	-73.9	-63.6	0	0	0	111.2	H21 V23 H26 Y55 C57 C62 V64 H69 I72	H21-F28 HydrophobicContact CB-CB 4.2Å; H21-F28 PolarHBondContact N-O 3.35Å; H21-F28 PolarHBondContact O-N 2.89Å; V23-F28 HydrophobicContact CB-CD2 4.44Å; V23-F28 HydrophobicContact CB-CE2 4.39Å; H26-F28 HydrophobicContact CB-CD2 3.77Å; H26-F28 HydrophobicContact CB-CE1 4.36Å; H26-F28 HydrophobicContact CB-CE2 3.33Å; H26-F28 HydrophobicContact CB-CG 4.46Å; H26-F28 HydrophobicContact CB-CZ 3.66Å; H26-F28 AromaticContact CG-CE2 3.88Å; H26-F28 AromaticContact CG-CZ 3.81Å; H26-F28 AromaticContact ND1-CZ 3.96Å; F28-Y55 HydrophobicContact CB-CD2 4.07Å; F28-Y55 HydrophobicContact CB-CG 4.4Å; F28-C57 HydrophobicContact CD1-CB 3.91Å; F28-C57 HydrophobicContact CE1-CB 3.72Å; F28-C57 HydrophobicContact CZ-CB 4.46Å; F28-C62 HydrophobicContact CE1-CB 4.47Å; F28-V64 HydrophobicContact CD1-CG2 3.98Å; F28-V64 HydrophobicContact CE1-CG1 4.43Å; F28-V64 HydrophobicContact CE1-CG2 3.71Å; F28-V64 HydrophobicContact CZ-CG1 4.48Å; F28-V64 HydrophobicContact CZ-CG2 4.08Å; F28-H69 HydrophobicContact CD2-CB 4.06Å; F28-H69 HydrophobicContact CE2-CB 4.4Å; F28-H69 HydrophobicContact CG-CB 4.33Å; F28-I72 HydrophobicContact CE2-CG1 4.33Å; F28-I72 HydrophobicContact CZ-CG1 4.14Å
29	M	82.8	Confident	75.3	Confident	36 Å²	36	67.6 Å²	67.6	18%	0.177	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135	174.4	-70.7	-173.4	64	0	0	110	R18 V20 T31 Y55 Q56 Q58	R18-M29 HydrophobicContact CB-CE 3.89Å; R18-M29 HydrophobicContact CG-CE 4.42Å; V20-M29 HydrophobicContact CB-CG 4.48Å; V20-M29 HydrophobicContact CG1-CG 4.26Å; V20-M29 HydrophobicContact CG2-CG 3.95Å; V20-M29 HydrophobicContact CG2-SD 4.06Å; M29-T31 PolarHBondContact O-N 2.73Å; M29-Y55 WeakPolarHBondContact O-CA 3.27Å; M29-Q56 PolarHBondContact N-O 2.94Å; M29-Q56 PolarHBondContact O-N 2.64Å; M29-Q58 HydrophobicContact CB-CG 4.05Å; M29-Q58 HydrophobicContact CG-CG 3.71Å; M29-Q58 HydrophobicContact SD-CG 3.42Å; M29-Q58 WeakPolarHBondContact SD-CG 3.18Å
30	A	83.5	Confident	76.1	Confident	24 Å²	24	58.3 Å²	58.3	20%	0.198	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	121.6	172.7	0	0	0	0	0	109.8	K52 G54 Y55	A30-K52 HydrophobicContact CB-CB 4.18Å; A30-K52 HydrophobicContact CB-CD 3.46Å; A30-K52 VanDerWaalsContact CB-CD 3.46Å; A30-K52 HydrophobicContact CB-CG 4.44Å; A30-K52 WeakPolarHBondContact O-CD 3.27Å; A30-K52 WeakPolarHBondContact O-CE 3.37Å; A30-K52 PolarHBondContact O-NZ 3.37Å; A30-G54 WeakPolarHBondContact CA-O 3.49Å; A30-Y55 HydrophobicContact CB-CD1 3.73Å; A30-Y55 HydrophobicContact CB-CE1 3.47Å; A30-Y55 VanDerWaalsContact CB-CE1 3.47Å
31	T	75.6	Confident	76.2	Confident	32 Å²	32	55.8 Å²	55.8	20%	0.196	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	161	-174.1	-160.6	0	0	0	0	111.9	M29 L33 K52 Q53 G54 Q56	M29-T31 PolarHBondContact O-N 2.73Å; T31-L33 HydrophobicContact CG2-CD2 3.59Å; T31-L33 HydrophobicContact CG2-CG 4.09Å; T31-K52 CarbonylContact O-C 3.58Å; T31-K52 WeakPolarHBondContact O-CA 3.38Å; T31-K52 WeakPolarHBondContact O-CB 3.4Å; T31-Q53 PolarHBondContact O-N 3.19Å; T31-Q53 VanDerWaalsContact O-N 3.11Å; T31-G54 PolarHBondContact N-O 2.87Å; T31-Q56 HydrophobicContact CG2-CB 3.52Å
32	Y	75	Confident	75.8	Confident	137 Å²	137	53.7 Å²	53.7	54%	0.537	26%	0.257	S	S	.	.			trans	-91	128.7	165.2	-69.1	-88.1	0	0	0	107.8	G51 K52	Y32-G51 WeakPolarHBondContact CD1-O 3.42Å; Y32-G51 VanDerWaalsContact CE1-CA 3.48Å; Y32-G51 WeakPolarHBondContact CE1-O 3.45Å; Y32-K52 HydrophobicContact CD2-CG 3.92Å; Y32-K52 HydrophobicContact CE1-CG 4.47Å; Y32-K52 HydrophobicContact CE2-CG 3.57Å; Y32-K52 HydrophobicContact CG-CG 4.5Å
33	L	73	Confident	75.1	Confident	18 Å²	18	54.4 Å²	54.4	9%	0.094	25%	0.254	C	S	.	.			trans	-100.4	102.3	179.2	-60.1	169.7	0	0	0	106.6	T31 Q35 T37 I46 Q53 V63	T31-L33 HydrophobicContact CG2-CD2 3.59Å; T31-L33 HydrophobicContact CG2-CG 4.09Å; L33-Q35 PolarHBondContact O-N 3.21Å; L33-Q35 VanDerWaalsContact O-N 3.17Å; L33-T37 HydrophobicContact CD1-CG2 4.28Å; L33-T37 HydrophobicContact CD2-CG2 4.46Å; L33-I46 HydrophobicContact CD1-CB 4.04Å; L33-I46 HydrophobicContact CD1-CD1 3.84Å; L33-I46 HydrophobicContact CD1-CG2 3.79Å; L33-Q53 HydrophobicContact CB-CB 4.5Å; L33-Q53 HydrophobicContact CD1-CB 4.19Å; L33-Q53 HydrophobicContact CG-CB 4.43Å; L33-Q53 PolarHBondContact O-OE1 3.15Å; L33-V63 HydrophobicContact CD1-CG1 3.68Å; L33-V63 HydrophobicContact CD2-CG1 3.67Å; L33-V63 HydrophobicContact CD2-CG2 4.32Å; L33-V63 HydrophobicContact CG-CG1 4.33Å
34	R	57.1	Low	74.5	Confident	252 Å²	252	55.4 Å²	55.4	95%	0.951	26%	0.258	S	S	*	.	S	Bend	trans	-73.5	-1.3	-175.7	-61	-178	179.6	-171.8	-3.8	113.9
35	Q	57.3	Low	74.4	Confident	102 Å²	102	57 Å²	57	48%	0.477	26%	0.263	S	S	.	.	S	Bend	trans	-135	151	-177.9	64.9	-172.5	-32.9	0	0	108.8	L33 T37 S119	L33-Q35 PolarHBondContact O-N 3.21Å; L33-Q35 VanDerWaalsContact O-N 3.17Å; Q35-T37 PolarHBondContact O-N 2.87Å; Q35-T37 PolarHBondContact O-OG1 2.74Å; Q35-S119 PolarHBondContact NE2-OG 3.07Å; Q35-S119 VanDerWaalsContact NE2-OG 3.1Å; Q35-S119 PolarHBondContact OE1-OG 3.37Å
36	P	62.8	Low	74.3	Confident	66 Å²	66	56.2 Å²	56.2	43%	0.429	25%	0.253	S	S	.	.			trans	-50.3	115.3	167.5	-27.6	36.7	0	0	0	110.6	F45	P36-F45 HydrophobicContact CB-CE2 3.41Å; P36-F45 VanDerWaalsContact CB-CE2 3.41Å; P36-F45 HydrophobicContact CB-CZ 3.63Å; P36-F45 HydrophobicContact CG-CZ 4.46Å
37	T	68.8	Low	73	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.018	28%	0.281	C	S	.	.			trans	-131.2	132	-172.8	-51.9	0	0	0	0	110.6	L33 Q35 F45 I46 V63	L33-T37 HydrophobicContact CD1-CG2 4.28Å; L33-T37 HydrophobicContact CD2-CG2 4.46Å; Q35-T37 PolarHBondContact O-N 2.87Å; Q35-T37 PolarHBondContact O-OG1 2.74Å; T37-F45 VanDerWaalsContact N-CE2 3.31Å; T37-I46 HydrophobicContact CG2-CD1 4.44Å; T37-I46 WeakPolarHBondContact O-CB 3.3Å; T37-I46 WeakPolarHBondContact O-CG1 3.44Å; T37-I46 PolarHBondContact O-N 2.8Å; T37-V63 HydrophobicContact CG2-CB 3.94Å; T37-V63 HydrophobicContact CG2-CG1 3.86Å; T37-V63 HydrophobicContact CG2-CG2 4.11Å
38	Y	74.1	Confident	71.4	Confident	84 Å²	84	60.5 Å²	60.5	33%	0.329	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-96.4	144.3	175.8	-67.1	-97.2	0	0	0	111.5	R43 D44 F45 F113	Y38-R43 VanDerWaalsContact CD1-O 3.32Å; Y38-R43 WeakPolarHBondContact CD1-O 3.28Å; Y38-D44 WeakPolarHBondContact CA-O 3.49Å; Y38-D44 VanDerWaalsContact CD1-C 3.49Å; Y38-F45 HydrophobicContact CD1-CB 4Å; Y38-F45 HydrophobicContact CD1-CD2 4.21Å; Y38-F45 VanDerWaalsContact CD1-N 3.34Å; Y38-F45 HydrophobicContact CD2-CD2 4.1Å; Y38-F45 HydrophobicContact CE1-CB 3.69Å; Y38-F45 AromaticContact CE1-CD2 3.9Å; Y38-F45 HydrophobicContact CE1-CD2 3.9Å; Y38-F45 HydrophobicContact CE1-CG 4.28Å; Y38-F45 AromaticContact CE2-CD2 3.79Å; Y38-F45 HydrophobicContact CE2-CD2 3.79Å; Y38-F45 HydrophobicContact CE2-CE2 4.32Å; Y38-F45 HydrophobicContact CG-CD2 4.3Å; Y38-F45 AromaticContact CZ-CD2 3.68Å; Y38-F113 HydrophobicContact CD2-CB 4.35Å; Y38-F113 HydrophobicContact CD2-CD1 4.22Å; Y38-F113 HydrophobicContact CD2-CD2 4.26Å; Y38-F113 HydrophobicContact CD2-CG 4.02Å; Y38-F113 HydrophobicContact CE2-CD1 4.26Å; Y38-F113 AromaticContact CE2-CD2 3.86Å; Y38-F113 HydrophobicContact CE2-CD2 3.86Å; Y38-F113 HydrophobicContact CE2-CE1 4.33Å; Y38-F113 AromaticContact CE2-CE2 3.93Å; Y38-F113 HydrophobicContact CE2-CE2 3.93Å; Y38-F113 HydrophobicContact CE2-CG 4.04Å; Y38-F113 HydrophobicContact CE2-CZ 4.17Å
39	C	79.3	Confident	69.4	Low	1 Å²	1	66.3 Å²	66.3	1%	0.007	31%	0.309	C	S	.	.			trans	-73.2	127	-178.7	164.6	0	0	0	0	111.7	H41 C42 R43 D44 I46 V64 H65	C39-H41 PolarHBondContact O-N 2.98Å; C39-H41 PolarHBondContact SG-N 3.36Å; C39-H41 VanDerWaalsContact SG-N 3.43Å; C39-C42 VanDerWaalsContact CB-SG 3.57Å; C39-R43 WeakPolarHBondContact O-CA 3.31Å; C39-R43 PolarHBondContact O-N 3.44Å; C39-D44 PolarHBondContact N-O 3.3Å; C39-I46 HydrophobicContact CB-CD1 3.97Å; C39-I46 HydrophobicContact CB-CG1 3.84Å; C39-V64 VanDerWaalsContact SG-CA 3.54Å; C39-H65 WeakPolarHBondContact CB-CE1 3.11Å; C39-H65 WeakPolarHBondContact CB-ND1 3.31Å; C39-H65 PolarHBondContact SG-N 2.84Å; C39-H65 VanDerWaalsContact SG-N 3.4Å
40	S	78.6	Confident	67.5	Low	22 Å²	22	72.8 Å²	72.8	15%	0.154	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-16.2	-177.9	-46.6	0	0	0	0	114.8	V63 D115 H116	S40-V63 PolarHBondContact N-O 2.83Å; S40-V63 PolarHBondContact OG-O 2.92Å; S40-D115 WeakPolarHBondContact CA-O 3.46Å; S40-H116 WeakPolarHBondContact OG-CA 3.25Å; S40-H116 PolarHBondContact OG-O 3.18Å
41	H	79.9	Confident	66.1	Low	23 Å²	23	73.1 Å²	73.1	11%	0.106	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-61.2	174.8	-178.5	68.7	0	0	0	112.4	C39 V64 C68 L71 I72	C39-H41 PolarHBondContact O-N 2.98Å; C39-H41 PolarHBondContact SG-N 3.36Å; C39-H41 VanDerWaalsContact SG-N 3.43Å; H41-V64 HydrophobicContact CB-CG1 4.49Å; H41-C68 HydrophobicContact CB-CB 4.06Å; H41-L71 PolarHBondContact CE1-O 2.85Å; H41-I72 HydrophobicContact CB-CD1 3.79Å
42	C	71.9	Confident	65.2	Low	7 Å²	7	74.7 Å²	74.7	5%	0.047	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-12.9	-173	75.6	0	0	0	0	113.5	C39 D44 H65 R155	C39-C42 VanDerWaalsContact CB-SG 3.57Å; C42-D44 WeakPolarHBondContact CB-OD2 3.36Å; C42-D44 PolarHBondContact O-N 2.65Å; C42-D44 VanDerWaalsContact O-N 3.16Å; C42-D44 PolarHBondContact SG-N 3.02Å; C42-D44 VanDerWaalsContact SG-N 3.42Å; C42-D44 PolarHBondContact SG-OD2 2.92Å; C42-H65 PolarHBondContact SG-CE1 2.77Å; C42-H65 PolarHBondContact SG-ND1 3.17Å; C42-R155 VanDerWaalsContact CA-CZ 3.44Å; C42-R155 VanDerWaalsContact CA-NH2 3.29Å; C42-R155 PolarHBondContact O-NH1 3.31Å; C42-R155 PolarHBondContact O-NH2 3.39Å
43	R	68.9	Low	65	Low	149 Å²	149	70.8 Å²	70.8	56%	0.562	34%	0.341	S	S	*	.			trans	60.8	11.5	-174.7	-50.4	-174.9	-174.2	161.8	0.1	114.8	Y38 C39 D115	Y38-R43 VanDerWaalsContact CD1-O 3.32Å; Y38-R43 WeakPolarHBondContact CD1-O 3.28Å; C39-R43 WeakPolarHBondContact O-CA 3.31Å; C39-R43 PolarHBondContact O-N 3.44Å; R43-D115 IonicContact NE-OD1 2.85Å
44	D	68.1	Low	65.4	Low	46 Å²	46	69.9 Å²	69.9	25%	0.246	34%	0.336	C	S	.	.			trans	-90.5	157.7	175.7	-44	-41.8	0	0	0	110.2	Y38 C39 C42 H65 R155 Q239	Y38-D44 WeakPolarHBondContact CA-O 3.49Å; Y38-D44 VanDerWaalsContact CD1-C 3.49Å; C39-D44 PolarHBondContact N-O 3.3Å; C42-D44 WeakPolarHBondContact CB-OD2 3.36Å; C42-D44 PolarHBondContact O-N 2.65Å; C42-D44 VanDerWaalsContact O-N 3.16Å; C42-D44 PolarHBondContact SG-N 3.02Å; C42-D44 VanDerWaalsContact SG-N 3.42Å; C42-D44 PolarHBondContact SG-OD2 2.92Å; D44-H65 PolarHBondContact O-CE1 3.44Å; D44-R155 IonicContact OD1-NH2 3.55Å; D44-R155 IonicContact OD2-NH2 3.2Å; D44-R155 PolarHBondContact OD2-NH2 3.4Å; D44-Q239 PolarHBondContact OD2-NE2 3.37Å
45	F	72.7	Confident	66.9	Low	80 Å²	80	59.2 Å²	59.2	35%	0.351	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-65.8	140.6	-177.5	-168	-116.7	0	0	0	111.9	P36 T37 Y38 W47 H65	P36-F45 HydrophobicContact CB-CE2 3.41Å; P36-F45 VanDerWaalsContact CB-CE2 3.41Å; P36-F45 HydrophobicContact CB-CZ 3.63Å; P36-F45 HydrophobicContact CG-CZ 4.46Å; T37-F45 VanDerWaalsContact N-CE2 3.31Å; Y38-F45 HydrophobicContact CD1-CB 4Å; Y38-F45 HydrophobicContact CD1-CD2 4.21Å; Y38-F45 VanDerWaalsContact CD1-N 3.34Å; Y38-F45 HydrophobicContact CD2-CD2 4.1Å; Y38-F45 HydrophobicContact CE1-CB 3.69Å; Y38-F45 AromaticContact CE1-CD2 3.9Å; Y38-F45 HydrophobicContact CE1-CD2 3.9Å; Y38-F45 HydrophobicContact CE1-CG 4.28Å; Y38-F45 AromaticContact CE2-CD2 3.79Å; Y38-F45 HydrophobicContact CE2-CD2 3.79Å; Y38-F45 HydrophobicContact CE2-CE2 4.32Å; Y38-F45 HydrophobicContact CG-CD2 4.3Å; Y38-F45 AromaticContact CZ-CD2 3.68Å; F45-W47 HydrophobicContact CD1-CB 4.5Å; F45-W47 PolarHBondContact O-N 3.45Å; F45-H65 PolarHBondContact O-NE2 2.71Å
46	I	74.5	Confident	68.4	Low	7 Å²	7	56.9 Å²	56.9	4%	0.036	29%	0.285	C	S	.	.			trans	-91.4	93.2	177.1	-55.7	176.2	0	0	0	109.2	L33 T37 C39 Q53 V63 H65	L33-I46 HydrophobicContact CD1-CB 4.04Å; L33-I46 HydrophobicContact CD1-CD1 3.84Å; L33-I46 HydrophobicContact CD1-CG2 3.79Å; T37-I46 HydrophobicContact CG2-CD1 4.44Å; T37-I46 WeakPolarHBondContact O-CB 3.3Å; T37-I46 WeakPolarHBondContact O-CG1 3.44Å; T37-I46 PolarHBondContact O-N 2.8Å; C39-I46 HydrophobicContact CB-CD1 3.97Å; C39-I46 HydrophobicContact CB-CG1 3.84Å; I46-Q53 HydrophobicContact CG2-CB 4.15Å; I46-Q53 WeakPolarHBondContact CG2-O 3.36Å; I46-V63 HydrophobicContact CD1-CB 4.42Å; I46-V63 HydrophobicContact CD1-CG1 3.5Å; I46-V63 VanDerWaalsContact CD1-CG1 3.5Å; I46-H65 WeakPolarHBondContact CA-NE2 3.3Å
47	W	55.2	Low	69.5	Low	157 Å²	157	53.8 Å²	53.8	60%	0.595	27%	0.265	S	S	*	.			trans	-82.7	150.5	179.2	-167.6	53	0	0	0	113.5	F45 V49 D241	F45-W47 HydrophobicContact CD1-CB 4.5Å; F45-W47 PolarHBondContact O-N 3.45Å; W47-V49 HydrophobicContact CZ2-CG2 4.28Å; W47-D241 HydrophobicContact CH2-CB 3.96Å; W47-D241 HydrophobicContact CZ3-CB 3.69Å
48	G	52.5	Low	70.3	Confident	24 Å²	24	58.8 Å²	58.8	25%	0.247	29%	0.288	C	S	.	.			trans	164.1	113.6	173.6	0	0	0	0	0	112.3	Q53	G48-Q53 VanDerWaalsContact O-CG 3.23Å; G48-Q53 WeakPolarHBondContact O-CG 3.22Å; G48-Q53 PolarHBondContact O-NE2 2.99Å
49	V	46.8	Very low	70.6	Confident	122 Å²	122	57.4 Å²	57.4	74%	0.739	29%	0.288	S	S	*	.	S	Bend	trans	-87.3	-24.3	-176.6	-174.6	0	0	0	0	112.3	W47	W47-V49 HydrophobicContact CZ2-CG2 4.28Å
50	L	41.1	Very low	70.5	Confident	172 Å²	172	57.6 Å²	57.6	90%	0.901	29%	0.29	S	S	*	.	S	Bend	trans	-135.4	121.4	177.1	-73.8	165.1	0	0	0	111.4
51	G	55.4	Low	70.7	Confident	32 Å²	32	59.6 Å²	59.6	33%	0.33	30%	0.301	S	S	.	.	S	Bend	trans	95	-177.9	176.6	0	0	0	0	0	114.9	Y32 Q53	Y32-G51 WeakPolarHBondContact CD1-O 3.42Å; Y32-G51 VanDerWaalsContact CE1-CA 3.48Å; Y32-G51 WeakPolarHBondContact CE1-O 3.45Å; G51-Q53 PolarHBondContact O-N 3.39Å; G51-Q53 VanDerWaalsContact O-N 3.16Å
52	K	57.1	Low	70.9	Confident	64 Å²	64	58.6 Å²	58.6	28%	0.278	30%	0.296	S	S	.	.			trans	-62.3	116	-176.9	-64.2	174.4	169.3	-154.3	0	110.2	A30 T31 Y32 K66	A30-K52 HydrophobicContact CB-CB 4.18Å; A30-K52 HydrophobicContact CB-CD 3.46Å; A30-K52 VanDerWaalsContact CB-CD 3.46Å; A30-K52 HydrophobicContact CB-CG 4.44Å; A30-K52 WeakPolarHBondContact O-CD 3.27Å; A30-K52 WeakPolarHBondContact O-CE 3.37Å; A30-K52 PolarHBondContact O-NZ 3.37Å; T31-K52 CarbonylContact O-C 3.58Å; T31-K52 WeakPolarHBondContact O-CA 3.38Å; T31-K52 WeakPolarHBondContact O-CB 3.4Å; Y32-K52 HydrophobicContact CD2-CG 3.92Å; Y32-K52 HydrophobicContact CE1-CG 4.47Å; Y32-K52 HydrophobicContact CE2-CG 3.57Å; Y32-K52 HydrophobicContact CG-CG 4.5Å; K52-K66 WeakPolarHBondContact O-CE 3.38Å; K52-K66 PolarHBondContact O-NZ 2.94Å
53	Q	69.3	Low	71.5	Confident	55 Å²	55	58.4 Å²	58.4	26%	0.257	30%	0.295	S	S	.	.			trans	-76	-35.6	-171	-71.7	144.3	-34.5	0	0	113.6	T31 L33 I46 G48 G51	T31-Q53 PolarHBondContact O-N 3.19Å; T31-Q53 VanDerWaalsContact O-N 3.11Å; L33-Q53 HydrophobicContact CB-CB 4.5Å; L33-Q53 HydrophobicContact CD1-CB 4.19Å; L33-Q53 HydrophobicContact CG-CB 4.43Å; L33-Q53 PolarHBondContact O-OE1 3.15Å; I46-Q53 HydrophobicContact CG2-CB 4.15Å; I46-Q53 WeakPolarHBondContact CG2-O 3.36Å; G48-Q53 VanDerWaalsContact O-CG 3.23Å; G48-Q53 WeakPolarHBondContact O-CG 3.22Å; G48-Q53 PolarHBondContact O-NE2 2.99Å; G51-Q53 PolarHBondContact O-N 3.39Å; G51-Q53 VanDerWaalsContact O-N 3.16Å
54	G	83	Confident	72.4	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	-179.8	-175.2	0	0	0	0	0	113.4	A30 T31	A30-G54 WeakPolarHBondContact CA-O 3.49Å; T31-G54 PolarHBondContact N-O 2.87Å
55	Y	88.1	Confident	73.2	Confident	28 Å²	28	50 Å²	50	11%	0.11	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	126	174.7	-80.3	10.4	0	0	0	109.3	H21 F28 M29 A30 V63 V64 K66 H69	H21-Y55 HydrophobicContact CB-CE2 4.32Å; H21-Y55 AromaticContact CD2-CE2 3.47Å; H21-Y55 VanDerWaalsContact CD2-CE2 3.47Å; H21-Y55 WeakPolarHBondContact CD2-CE2 3.32Å; H21-Y55 AromaticContact CD2-CZ 3.72Å; H21-Y55 AromaticContact CG-CE2 3.74Å; H21-Y55 AromaticContact NE2-CE2 3.75Å; H21-Y55 AromaticContact NE2-CZ 3.67Å; H21-Y55 PolarHBondContact NE2-OH 3.23Å; F28-Y55 HydrophobicContact CB-CD2 4.07Å; F28-Y55 HydrophobicContact CB-CG 4.4Å; M29-Y55 WeakPolarHBondContact O-CA 3.27Å; A30-Y55 HydrophobicContact CB-CD1 3.73Å; A30-Y55 HydrophobicContact CB-CE1 3.47Å; A30-Y55 VanDerWaalsContact CB-CE1 3.47Å; Y55-V63 CarbonylContact O-C 3.45Å; Y55-V63 WeakPolarHBondContact O-CA 3.47Å; Y55-V64 PolarHBondContact N-O 2.91Å; Y55-V64 PolarHBondContact O-N 3.49Å; Y55-K66 HydrophobicContact CD1-CB 4.4Å; Y55-K66 HydrophobicContact CD1-CG 3.77Å; Y55-K66 HydrophobicContact CE1-CB 4.13Å; Y55-K66 HydrophobicContact CE1-CD 4.05Å; Y55-K66 HydrophobicContact CE1-CG 3.6Å; Y55-H69 HydrophobicContact CD2-CB 3.64Å; Y55-H69 AromaticContact CD2-CD2 3.82Å; Y55-H69 AromaticContact CD2-CG 3.44Å; Y55-H69 VanDerWaalsContact CD2-CG 3.44Å; Y55-H69 AromaticContact CD2-ND1 3.7Å; Y55-H69 HydrophobicContact CE2-CB 4.36Å; Y55-H69 AromaticContact CE2-CD2 3.81Å; Y55-H69 AromaticContact CE2-CE1 3.61Å; Y55-H69 AromaticContact CE2-CG 3.67Å; Y55-H69 AromaticContact CE2-ND1 3.54Å; Y55-H69 AromaticContact CE2-NE2 3.72Å
56	Q	87.5	Confident	73.7	Confident	53 Å²	53	50.9 Å²	50.9	25%	0.248	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	128.3	175.5	-178.2	177.5	25.9	0	0	110.2	M29 T31 Q58 C62 V63	M29-Q56 PolarHBondContact N-O 2.94Å; M29-Q56 PolarHBondContact O-N 2.64Å; T31-Q56 HydrophobicContact CG2-CB 3.52Å; Q56-Q58 PolarHBondContact O-N 2.88Å; Q56-Q58 PolarHBondContact O-NE2 3.46Å; Q56-C62 CarbonylContact C-O 3.19Å; Q56-C62 WeakPolarHBondContact CA-O 3.39Å; Q56-V63 HydrophobicContact CB-CG2 4.36Å; Q56-V63 HydrophobicContact CG-CG2 4.07Å
57	C	87.1	Confident	73.9	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	121.4	173.3	-171.4	0	0	0	0	109.5	H26 K27 F28 V59 C60 T61 C62	H26-C57 HydrophobicContact CB-CB 4.47Å; H26-C57 PolarHBondContact ND1-SG 2.78Å; K27-C57 PolarHBondContact N-SG 2.76Å; K27-C57 WeakPolarHBondContact O-CA 3.42Å; F28-C57 HydrophobicContact CD1-CB 3.91Å; F28-C57 HydrophobicContact CE1-CB 3.72Å; F28-C57 HydrophobicContact CZ-CB 4.46Å; C57-V59 PolarHBondContact O-N 3.27Å; C57-V59 VanDerWaalsContact O-N 3.16Å; C57-C60 VanDerWaalsContact SG-SG 3.64Å; C57-T61 WeakPolarHBondContact O-CA 3.29Å; C57-T61 PolarHBondContact O-N 3.24Å; C57-C62 HydrophobicContact CB-CB 4.06Å; C57-C62 PolarHBondContact N-O 3.23Å
58	Q	85.5	Confident	75.2	Confident	108 Å²	108	51.3 Å²	51.3	51%	0.505	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-4.1	-179.9	-60	-58.7	-70.9	0	0	114.1	K27 M29 Q56	K27-Q58 PolarHBondContact O-N 2.83Å; M29-Q58 HydrophobicContact CB-CG 4.05Å; M29-Q58 HydrophobicContact CG-CG 3.71Å; M29-Q58 HydrophobicContact SD-CG 3.42Å; M29-Q58 WeakPolarHBondContact SD-CG 3.18Å; Q56-Q58 PolarHBondContact O-N 2.88Å; Q56-Q58 PolarHBondContact O-NE2 3.46Å
59	V	80.1	Confident	76.6	Confident	56 Å²	56	50.7 Å²	50.7	34%	0.339	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-55	-176.1	-178.9	0	0	0	0	110.7	K27 C57 G78	K27-V59 HydrophobicContact CB-CG2 4.39Å; K27-V59 HydrophobicContact CD-CG2 4.34Å; K27-V59 HydrophobicContact CG-CG2 4.45Å; C57-V59 PolarHBondContact O-N 3.27Å; C57-V59 VanDerWaalsContact O-N 3.16Å; V59-G78 VanDerWaalsContact CG1-O 3.25Å; V59-G78 WeakPolarHBondContact CG1-O 3.45Å
60	C	76.8	Confident	78.3	Confident	5 Å²	5	51.6 Å²	51.6	3%	0.034	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	6.5	-177.3	69.4	0	0	0	0	114.1	H26 C57 C62	H26-C60 PolarHBondContact CE1-SG 2.87Å; H26-C60 PolarHBondContact ND1-SG 3.34Å; C57-C60 VanDerWaalsContact SG-SG 3.64Å; C60-C62 PolarHBondContact O-N 3.38Å; C60-C62 WeakPolarHBondContact SG-CB 3.35Å
61	T	83	Confident	80.1	Confident	63 Å²	63	46.5 Å²	46.5	39%	0.387	23%	0.227	S	C	.	.			trans	62.8	1.9	-177.7	68.3	0	0	0	0	116.6	C57 V63	C57-T61 WeakPolarHBondContact O-CA 3.29Å; C57-T61 PolarHBondContact O-N 3.24Å; T61-V63 VanDerWaalsContact O-CG2 3.31Å; T61-V63 WeakPolarHBondContact O-CG2 3.07Å; T61-V63 PolarHBondContact O-N 2.74Å
62	C	83.9	Confident	81.3	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.014	21%	0.213	C	C	.	.			trans	-50.8	128.2	175.5	177	0	0	0	0	111.4	F28 Q56 C57 C60	F28-C62 HydrophobicContact CE1-CB 4.47Å; Q56-C62 CarbonylContact C-O 3.19Å; Q56-C62 WeakPolarHBondContact CA-O 3.39Å; C57-C62 HydrophobicContact CB-CB 4.06Å; C57-C62 PolarHBondContact N-O 3.23Å; C60-C62 PolarHBondContact O-N 3.38Å; C60-C62 WeakPolarHBondContact SG-CB 3.35Å
63	V	85.6	Confident	82.2	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.024	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.8	-178.2	-168.1	0	0	0	0	109.7	L33 T37 S40 I46 Y55 Q56 T61	L33-V63 HydrophobicContact CD1-CG1 3.68Å; L33-V63 HydrophobicContact CD2-CG1 3.67Å; L33-V63 HydrophobicContact CD2-CG2 4.32Å; L33-V63 HydrophobicContact CG-CG1 4.33Å; T37-V63 HydrophobicContact CG2-CB 3.94Å; T37-V63 HydrophobicContact CG2-CG1 3.86Å; T37-V63 HydrophobicContact CG2-CG2 4.11Å; S40-V63 PolarHBondContact N-O 2.83Å; S40-V63 PolarHBondContact OG-O 2.92Å; I46-V63 HydrophobicContact CD1-CB 4.42Å; I46-V63 HydrophobicContact CD1-CG1 3.5Å; I46-V63 VanDerWaalsContact CD1-CG1 3.5Å; Y55-V63 CarbonylContact O-C 3.45Å; Y55-V63 WeakPolarHBondContact O-CA 3.47Å; Q56-V63 HydrophobicContact CB-CG2 4.36Å; Q56-V63 HydrophobicContact CG-CG2 4.07Å; T61-V63 VanDerWaalsContact O-CG2 3.31Å; T61-V63 WeakPolarHBondContact O-CG2 3.07Å; T61-V63 PolarHBondContact O-N 2.74Å
64	V	86.4	Confident	82.5	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	157.3	180	-64.3	0	0	0	0	110.6	F28 C39 H41 Y55 C68 H69 I72	F28-V64 HydrophobicContact CD1-CG2 3.98Å; F28-V64 HydrophobicContact CE1-CG1 4.43Å; F28-V64 HydrophobicContact CE1-CG2 3.71Å; F28-V64 HydrophobicContact CZ-CG1 4.48Å; F28-V64 HydrophobicContact CZ-CG2 4.08Å; C39-V64 VanDerWaalsContact SG-CA 3.54Å; H41-V64 HydrophobicContact CB-CG1 4.49Å; Y55-V64 PolarHBondContact N-O 2.91Å; Y55-V64 PolarHBondContact O-N 3.49Å; V64-C68 HydrophobicContact CB-CB 4.28Å; V64-H69 HydrophobicContact CG2-CB 3.67Å; V64-I72 HydrophobicContact CG1-CD1 3.86Å; V64-I72 HydrophobicContact CG1-CG1 4.08Å
65	H	85	Confident	82.3	Confident	17 Å²	17	52.3 Å²	52.3	8%	0.079	25%	0.247	C	C	.	.			trans	-59.1	154.3	166.6	-62.9	104.2	0	0	0	110.4	C39 C42 D44 F45 I46 R67 C68 H69	C39-H65 WeakPolarHBondContact CB-CE1 3.11Å; C39-H65 WeakPolarHBondContact CB-ND1 3.31Å; C39-H65 PolarHBondContact SG-N 2.84Å; C39-H65 VanDerWaalsContact SG-N 3.4Å; C42-H65 PolarHBondContact SG-CE1 2.77Å; C42-H65 PolarHBondContact SG-ND1 3.17Å; D44-H65 PolarHBondContact O-CE1 3.44Å; F45-H65 PolarHBondContact O-NE2 2.71Å; I46-H65 WeakPolarHBondContact CA-NE2 3.3Å; H65-R67 HydrophobicContact CB-CG 3.87Å; H65-R67 PolarHBondContact O-N 3.39Å; H65-C68 HydrophobicContact CB-CB 4.12Å; H65-C68 PolarHBondContact O-N 3.28Å; H65-H69 PolarHBondContact O-N 3.45Å
66	K	83.6	Confident	81.8	Confident	100 Å²	100	51.4 Å²	51.4	44%	0.435	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-33.2	171.7	-58.2	-174.2	-176.6	155.1	0	112.4	K52 Y55 H69	K52-K66 WeakPolarHBondContact O-CE 3.38Å; K52-K66 PolarHBondContact O-NZ 2.94Å; Y55-K66 HydrophobicContact CD1-CB 4.4Å; Y55-K66 HydrophobicContact CD1-CG 3.77Å; Y55-K66 HydrophobicContact CE1-CB 4.13Å; Y55-K66 HydrophobicContact CE1-CD 4.05Å; Y55-K66 HydrophobicContact CE1-CG 3.6Å; K66-H69 PolarHBondContact O-CE1 3.29Å; K66-H69 PolarHBondContact O-ND1 3.05Å
67	R	79.6	Confident	81.2	Confident	167 Å²	167	51.5 Å²	51.5	63%	0.63	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-23	175.8	66.3	-175.6	175.9	-153.2	0.6	114.2	H65	H65-R67 HydrophobicContact CB-CG 3.87Å; H65-R67 PolarHBondContact O-N 3.39Å
68	C	81	Confident	80.2	Confident	6 Å²	6	53.2 Å²	53.2	4%	0.041	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-10.3	-172.7	-65.5	0	0	0	0	114	H41 V64 H65 E70 L71	H41-C68 HydrophobicContact CB-CB 4.06Å; V64-C68 HydrophobicContact CB-CB 4.28Å; H65-C68 HydrophobicContact CB-CB 4.12Å; H65-C68 PolarHBondContact O-N 3.28Å; C68-E70 VanDerWaalsContact C-N 3.3Å; C68-E70 PolarHBondContact O-N 2.76Å; C68-L71 PolarHBondContact O-N 2.75Å; C68-L71 VanDerWaalsContact O-N 3.12Å
69	H	83.1	Confident	79.3	Confident	10 Å²	10	51.7 Å²	51.7	5%	0.046	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-65.6	-30.5	-173.2	79.8	-75.4	0	0	0	114.1	H21 V23 F28 Y55 V64 H65 K66 L71	H21-H69 AromaticContact CE1-NE2 3.85Å; H21-H69 AromaticContact CG-CD2 3.89Å; H21-H69 AromaticContact CG-NE2 3.45Å; H21-H69 AromaticContact ND1-CD2 3.91Å; H21-H69 AromaticContact ND1-CE1 3.85Å; H21-H69 AromaticContact ND1-NE2 3.02Å; H21-H69 PolarHBondContact ND1-NE2 2.88Å; V23-H69 WeakPolarHBondContact CG1-O 3.46Å; F28-H69 HydrophobicContact CD2-CB 4.06Å; F28-H69 HydrophobicContact CE2-CB 4.4Å; F28-H69 HydrophobicContact CG-CB 4.33Å; Y55-H69 HydrophobicContact CD2-CB 3.64Å; Y55-H69 AromaticContact CD2-CD2 3.82Å; Y55-H69 AromaticContact CD2-CG 3.44Å; Y55-H69 VanDerWaalsContact CD2-CG 3.44Å; Y55-H69 AromaticContact CD2-ND1 3.7Å; Y55-H69 HydrophobicContact CE2-CB 4.36Å; Y55-H69 AromaticContact CE2-CD2 3.81Å; Y55-H69 AromaticContact CE2-CE1 3.61Å; Y55-H69 AromaticContact CE2-CG 3.67Å; Y55-H69 AromaticContact CE2-ND1 3.54Å; Y55-H69 AromaticContact CE2-NE2 3.72Å; V64-H69 HydrophobicContact CG2-CB 3.67Å; H65-H69 PolarHBondContact O-N 3.45Å; K66-H69 PolarHBondContact O-CE1 3.29Å; K66-H69 PolarHBondContact O-ND1 3.05Å; H69-L71 VanDerWaalsContact C-N 3.33Å
70	E	81.8	Confident	78.1	Confident	141 Å²	141	58.5 Å²	58.5	66%	0.659	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-78.1	-19.9	176.6	-69	173.9	-175.6	0	0	112.4	C68 I72	C68-E70 VanDerWaalsContact C-N 3.3Å; C68-E70 PolarHBondContact O-N 2.76Å; E70-I72 VanDerWaalsContact C-N 3.29Å; E70-I72 PolarHBondContact O-N 3.24Å
71	L	80.3	Confident	76.7	Confident	66 Å²	66	68.2 Å²	68.2	35%	0.346	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-84.6	-1.2	179.5	-54.4	177.3	0	0	0	113.1	H41 C68 H69 I73	H41-L71 PolarHBondContact CE1-O 2.85Å; C68-L71 PolarHBondContact O-N 2.75Å; C68-L71 VanDerWaalsContact O-N 3.12Å; H69-L71 VanDerWaalsContact C-N 3.33Å; L71-I73 PolarHBondContact O-N 3.01Å
72	I	79.1	Confident	74.7	Confident	9 Å²	9	74.1 Å²	74.1	5%	0.046	36%	0.356	C	S	.	.			trans	-74.8	105.6	177.7	-67.4	-65	0	0	0	110	N24 F28 H41 V64 E70	N24-I72 PolarHBondContact ND2-O 2.81Å; F28-I72 HydrophobicContact CE2-CG1 4.33Å; F28-I72 HydrophobicContact CZ-CG1 4.14Å; H41-I72 HydrophobicContact CB-CD1 3.79Å; V64-I72 HydrophobicContact CG1-CD1 3.86Å; V64-I72 HydrophobicContact CG1-CG1 4.08Å; E70-I72 VanDerWaalsContact C-N 3.29Å; E70-I72 PolarHBondContact O-N 3.24Å
73	I	75.9	Confident	72.5	Confident	61 Å²	61	81.3 Å²	81.3	31%	0.313	40%	0.395	S	S	.	.			trans	-86.4	-15.5	178.6	61.5	173.5	0	0	0	113.9	L71 A154 I157	L71-I73 PolarHBondContact O-N 3.01Å; I73-A154 HydrophobicContact CD1-CB 3.85Å; I73-A154 HydrophobicContact CG1-CB 4.11Å; I73-I157 HydrophobicContact CD1-CB 4.04Å; I73-I157 HydrophobicContact CD1-CG2 3.88Å
74	T	76.6	Confident	70.5	Confident	34 Å²	34	89 Å²	89	21%	0.209	44%	0.436	C	S	.	.	S	Bend	trans	-81.5	144.7	-177.4	52.5	0	0	0	0	112.1	N24 H26 A147 T149	N24-T74 WeakPolarHBondContact CB-O 3.34Å; H26-T74 PolarHBondContact NE2-O 2.91Å; T74-A147 HydrophobicContact CG2-CB 4.47Å; T74-T149 HydrophobicContact CG2-CG2 4.34Å
75	K	77.8	Confident	67.9	Low	168 Å²	168	95.2 Å²	95.2	73%	0.73	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-76.4	142.2	172.6	-70.5	-172.4	179.6	-177.5	0	111.4	N24 A77	N24-K75 VanDerWaalsContact O-CA 3.29Å; N24-K75 WeakPolarHBondContact O-CA 3.45Å; K75-A77 PolarHBondContact O-N 2.74Å
76	C	78.9	Confident	65.7	Low	10 Å²	10	101.4 Å²	101.4	7%	0.068	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-64	119.9	178.1	-176.5	0	0	0	0	112.2	N24 G25 H26 G78 M79	N24-C76 PolarHBondContact O-N 3.28Å; G25-C76 WeakPolarHBondContact O-CB 3.49Å; H26-C76 HydrophobicContact CB-CB 4.37Å; H26-C76 VanDerWaalsContact NE2-CA 3.35Å; H26-C76 WeakPolarHBondContact NE2-CA 3.34Å; H26-C76 PolarHBondContact NE2-N 3.12Å; C76-G78 VanDerWaalsContact C-N 3.27Å; C76-G78 PolarHBondContact O-N 3.07Å; C76-M79 HydrophobicContact CB-CG 4.33Å; C76-M79 PolarHBondContact O-N 2.92Å
77	A	74.4	Confident	63.5	Low	54 Å²	54	99.9 Å²	99.9	45%	0.446	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-22.5	-177.8	0	0	0	0	0	114.4	K75	K75-A77 PolarHBondContact O-N 2.74Å
78	G	65.3	Low	61.1	Low	37 Å²	37	101.4 Å²	101.4	38%	0.381	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	3.1	-177.5	0	0	0	0	0	115.3	V59 C76 K80	V59-G78 VanDerWaalsContact CG1-O 3.25Å; V59-G78 WeakPolarHBondContact CG1-O 3.45Å; C76-G78 VanDerWaalsContact C-N 3.27Å; C76-G78 PolarHBondContact O-N 3.07Å; G78-K80 PolarHBondContact O-N 2.91Å
79	M	67.9	Low	59.1	Low	76 Å²	76	110.5 Å²	110.5	37%	0.374	58%	0.581	S	S	.	*	S	Bend	trans	-75.4	120.2	171.9	-88.8	-83.7	-175.7	0	0	109.5	G25 K27 C76 K81	G25-M79 VanDerWaalsContact O-CE 3.23Å; G25-M79 WeakPolarHBondContact O-CE 3.43Å; G25-M79 WeakPolarHBondContact O-CG 3.34Å; K27-M79 HydrophobicContact CD-CE 4.43Å; K27-M79 HydrophobicContact CG-CE 4.37Å; C76-M79 HydrophobicContact CB-CG 4.33Å; C76-M79 PolarHBondContact O-N 2.92Å; M79-K81 PolarHBondContact O-N 3.36Å
80	K	53.1	Low	56.7	Low	199 Å²	199	117 Å²	117	87%	0.865	62%	0.622	S	S	*	*			trans	-59.6	127.9	167	-74	-176.1	176.1	-177.6	0	108.1	G78 Q82	G78-K80 PolarHBondContact O-N 2.91Å; K80-Q82 PolarHBondContact O-N 2.84Å
81	K	47.5	Very low	54.4	Low	209 Å²	209	114 Å²	114	91%	0.909	63%	0.629	S	S	*	*			trans	-55.4	109.3	170.8	-73.5	-178.7	176.7	-178.3	0	107.7	M79	M79-K81 PolarHBondContact O-N 3.36Å
82	Q	41.7	Very low	52.2	Low	186 Å²	186	114.4 Å²	114.4	87%	0.869	64%	0.637	S	S	*	*			trans	-76.1	128.4	157.8	-102.5	175.6	-13.3	0	0	105.9	K80	K80-Q82 PolarHBondContact O-N 2.84Å
83	D	37.1	Very low	50.2	Low	153 Å²	153	123 Å²	123	82%	0.818	68%	0.676	S	S	*	*			trans	-48.4	137.7	176.9	-80.3	-44.8	0	0	0	111.3	T85	D83-T85 PolarHBondContact O-N 2.95Å; D83-T85 VanDerWaalsContact O-N 3.13Å
84	D	43.4	Very low	48.7	Very low	166 Å²	166	128.2 Å²	128.2	89%	0.888	69%	0.692	S	S	*	*			trans	-59.6	109.4	176.1	-70.6	-50.3	0	0	0	110.4
85	T	32.8	Very low	47	Very low	130 Å²	130	134.2 Å²	134.2	80%	0.798	72%	0.716	S	S	*	*			trans	-123.5	93.3	159	37	0	0	0	0	110.7	D83	D83-T85 PolarHBondContact O-N 2.95Å; D83-T85 VanDerWaalsContact O-N 3.13Å
86	V	37.8	Very low	45.5	Very low	147 Å²	147	131.7 Å²	131.7	89%	0.891	72%	0.719	S	S	*	*			trans	41.7	112.5	143.4	-166	0	0	0	0	118.7
87	G	38.5	Very low	44.3	Very low	68 Å²	68	133.9 Å²	133.9	70%	0.701	73%	0.732	S	S	*	*				111	86.5	128.9	0	0	0	0	0	117.4
88	E	29	Very low	43.4	Very low	200 Å²	200	137.3 Å²	137.3	94%	0.935	74%	0.743	S	S	*	*			trans	-168.6	104.4	134.2	-111.7	170	169.6	0	0	110.2
89	Q	38.9	Very low	43.7	Very low	196 Å²	196	138.7 Å²	138.7	92%	0.916	74%	0.744	S	S	*	*			trans	-87.9	113.5	164.8	-81.1	-177.1	-24.7	0	0	108.4
90	V	33.2	Very low	43.8	Very low	148 Å²	148	139.6 Å²	139.6	90%	0.897	76%	0.756	S	S	*	*			trans	-150.9	116.8	136.6	-170	0	0	0	0	109.3
91	G	32.9	Very low	44.9	Very low	78 Å²	78	132 Å²	132	80%	0.804	72%	0.723	S	S	*	*	S	Bend	trans	75.2	59.6	146.4	0	0	0	0	0	119.5
92	S	34.5	Very low	46.5	Very low	73 Å²	73	128.8 Å²	128.8	51%	0.51	71%	0.709	S	S	.	*			trans	-154.4	108.7	141.3	63.9	0	0	0	0	110.5	R94	S92-R94 VanDerWaalsContact C-N 3.26Å; S92-R94 PolarHBondContact O-N 2.8Å; S92-R94 WeakPolarHBondContact OG-CD 3.2Å; S92-R94 PolarHBondContact OG-NE 3.47Å
93	Q	37.7	Very low	48.5	Very low	189 Å²	189	121.7 Å²	121.7	88%	0.883	68%	0.675	S	S	*	*			trans	-66.6	91.4	165	-75.7	-175.6	-9.1	0	0	107.7
94	R	43.5	Very low	50.5	Low	172 Å²	172	116.1 Å²	116.1	65%	0.649	65%	0.648	S	S	*	*			trans	-103.9	115	177.8	-72.2	-178.4	-177.2	173.3	8.4	109.8	N24 S92 S96	N24-R94 PolarHBondContact OD1-NH1 3.36Å; S92-R94 VanDerWaalsContact C-N 3.26Å; S92-R94 PolarHBondContact O-N 2.8Å; S92-R94 WeakPolarHBondContact OG-CD 3.2Å; S92-R94 PolarHBondContact OG-NE 3.47Å; R94-S96 PolarHBondContact O-N 3.09Å
95	F	41.9	Very low	52.3	Low	160 Å²	160	112.1 Å²	112.1	70%	0.702	63%	0.626	S	S	*	*			trans	-60.5	117.3	175.7	-67.8	-94.7	0	0	0	110.9	V97 M161	F95-V97 HydrophobicContact CB-CG2 4.37Å; F95-V97 PolarHBondContact O-N 2.9Å; F95-M161 HydrophobicContact CD2-CE 3.66Å; F95-M161 HydrophobicContact CE2-CE 4.24Å
96	S	44.4	Very low	54.1	Low	114 Å²	114	109 Å²	109	80%	0.797	60%	0.602	S	S	*	*			trans	-91.9	89	164.6	59.3	0	0	0	0	109.3	R94	R94-S96 PolarHBondContact O-N 3.09Å
97	V	53.9	Low	55.6	Low	56 Å²	56	105.4 Å²	105.4	34%	0.339	58%	0.578	S	S	.	*			trans	-81.9	120	172.8	-174.1	0	0	0	0	108.2	F95 V99 T149 V152	F95-V97 HydrophobicContact CB-CG2 4.37Å; F95-V97 PolarHBondContact O-N 2.9Å; V97-V99 HydrophobicContact CG1-CB 4.4Å; V97-V99 HydrophobicContact CG1-CG2 3.68Å; V97-T149 WeakPolarHBondContact O-CG2 3.44Å; V97-V152 HydrophobicContact CB-CG2 4.21Å; V97-V152 HydrophobicContact CG1-CG2 3.6Å
98	N	55.5	Low	57	Low	126 Å²	126	103 Å²	103	67%	0.674	55%	0.548	S	S	*	.			trans	-120.3	77	177.9	-174.5	18.4	0	0	0	109.3	P148	N98-P148 CarbonylContact C-O 3.6Å; N98-P148 WeakPolarHBondContact CA-O 3.2Å; N98-P148 WeakPolarHBondContact OD1-CB 3.39Å; N98-P148 VanDerWaalsContact OD1-CG 3.26Å; N98-P148 WeakPolarHBondContact OD1-CG 3.47Å
99	V	71.8	Confident	58.2	Low	67 Å²	67	103.1 Å²	103.1	41%	0.406	55%	0.546	S	S	.	.	B	Isolated β-bridge	trans	-116.5	105.3	178.1	-176.5	0	0	0	0	108.2	V97 P148 T149 C150	V97-V99 HydrophobicContact CG1-CB 4.4Å; V97-V99 HydrophobicContact CG1-CG2 3.68Å; V99-P148 CarbonylContact C-O 3.47Å; V99-P148 PolarHBondContact N-O 3.38Å; V99-P148 CarbonylContact O-C 3.41Å; V99-P148 VanDerWaalsContact O-O 3.09Å; V99-T149 PolarHBondContact O-N 2.84Å; V99-C150 HydrophobicContact CG1-CB 4.13Å; V99-C150 WeakPolarHBondContact O-CB 3.5Å; V99-C150 PolarHBondContact O-N 3.09Å
100	P	70.9	Confident	59	Low	95 Å²	95	99.1 Å²	99.1	62%	0.617	53%	0.534	S	S	*	.			trans	-68.2	147.9	-176	27.5	-33.9	0	0	0	111.9
101	H	75.6	Confident	59.8	Low	39 Å²	39	98.6 Å²	98.6	18%	0.181	53%	0.526	C	S	.	.			trans	-76.9	142.3	175.9	-71.1	-101.7	0	0	0	111.1	F103 C131 C134 V136 A147 C150	H101-F103 HydrophobicContact CB-CD2 3.84Å; H101-F103 HydrophobicContact CB-CE1 4.08Å; H101-F103 HydrophobicContact CB-CE2 3.28Å; H101-F103 HydrophobicContact CB-CG 4.44Å; H101-F103 HydrophobicContact CB-CZ 3.38Å; H101-F103 AromaticContact CG-CE2 3.98Å; H101-F103 AromaticContact CG-CZ 3.68Å; H101-F103 AromaticContact ND1-CZ 3.94Å; H101-C131 HydrophobicContact CB-CB 4.46Å; H101-C134 PolarHBondContact CE1-SG 3.14Å; H101-C134 PolarHBondContact ND1-SG 3.49Å; H101-V136 WeakPolarHBondContact ND1-CG1 3.42Å; H101-A147 PolarHBondContact CD2-O 3.16Å; H101-A147 PolarHBondContact NE2-O 3.12Å; H101-C150 HydrophobicContact CB-CB 4.28Å; H101-C150 PolarHBondContact NE2-N 3.2Å
102	K	81.5	Confident	60.7	Low	141 Å²	141	95.9 Å²	95.9	61%	0.613	49%	0.494	S	S	*	.			trans	-102.1	85.5	173.5	-169.2	173.2	-173.6	172.8	0	110.1	C131 K132	K102-C131 WeakPolarHBondContact O-CA 3.4Å; K102-K132 PolarHBondContact O-N 2.9Å
103	F	84.3	Confident	62.1	Low	38 Å²	38	95.3 Å²	95.3	17%	0.167	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	145.2	-177.8	-71.9	-59	0	0	0	112.9	H101 L129 C131 V136 V138 E143 V146	H101-F103 HydrophobicContact CB-CD2 3.84Å; H101-F103 HydrophobicContact CB-CE1 4.08Å; H101-F103 HydrophobicContact CB-CE2 3.28Å; H101-F103 HydrophobicContact CB-CG 4.44Å; H101-F103 HydrophobicContact CB-CZ 3.38Å; H101-F103 AromaticContact CG-CE2 3.98Å; H101-F103 AromaticContact CG-CZ 3.68Å; H101-F103 AromaticContact ND1-CZ 3.94Å; F103-L129 HydrophobicContact CB-CB 4.04Å; F103-L129 HydrophobicContact CB-CD1 4.21Å; F103-L129 HydrophobicContact CD1-CB 4.01Å; F103-L129 HydrophobicContact CG-CB 4.19Å; F103-L129 HydrophobicContact CG-CD1 4.49Å; F103-C131 HydrophobicContact CD1-CB 3.95Å; F103-C131 HydrophobicContact CE1-CB 3.72Å; F103-V136 HydrophobicContact CE1-CG1 3.75Å; F103-V136 HydrophobicContact CZ-CG1 4.02Å; F103-V138 HydrophobicContact CD1-CG2 4.4Å; F103-V138 HydrophobicContact CE1-CB 4.24Å; F103-V138 HydrophobicContact CE1-CG2 3.48Å; F103-V138 VanDerWaalsContact CE1-CG2 3.48Å; F103-V138 HydrophobicContact CE2-CG2 4.48Å; F103-V138 HydrophobicContact CZ-CB 4.43Å; F103-V138 HydrophobicContact CZ-CG2 3.54Å; F103-E143 HydrophobicContact CD2-CG 4.09Å; F103-V146 HydrophobicContact CE2-CG1 4.49Å; F103-V146 HydrophobicContact CZ-CG1 4.21Å; F103-V146 HydrophobicContact CZ-CG2 4.42Å
104	S	78.8	Confident	63.5	Low	35 Å²	35	86.5 Å²	86.5	25%	0.245	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	147.3	166.4	51.2	0	0	0	0	110.2	H106 L129 Q130 K132	S104-H106 PolarHBondContact O-N 2.92Å; S104-L129 CarbonylContact O-C 3.43Å; S104-L129 WeakPolarHBondContact O-CA 3.49Å; S104-Q130 PolarHBondContact N-O 2.91Å; S104-Q130 PolarHBondContact O-N 2.84Å; S104-K132 VanDerWaalsContact CB-CE 3.41Å; S104-K132 WeakPolarHBondContact OG-CE 3.02Å; S104-K132 WeakPolarHBondContact OG-CG 3.27Å
105	I	81.1	Confident	64.4	Low	82 Å²	82	80.1 Å²	80.1	42%	0.421	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	129.5	173.8	-61.6	173.2	0	0	0	109.2	R126 L129	I105-R126 HydrophobicContact CG2-CB 3.49Å; I105-R126 VanDerWaalsContact CG2-CB 3.49Å; I105-R126 HydrophobicContact CG2-CG 3.56Å; I105-L129 HydrophobicContact CG1-CD2 3.87Å
106	H	69.8	Low	65.3	Low	66 Å²	66	74 Å²	74	31%	0.306	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	145.7	-177.5	-167.2	74.8	0	0	0	111.2	S104 F108 R126 Q127 G128 Q130	S104-H106 PolarHBondContact O-N 2.92Å; H106-F108 HydrophobicContact CB-CE2 3.93Å; H106-F108 HydrophobicContact CB-CZ 3.96Å; H106-F108 AromaticContact CD2-CD1 3.61Å; H106-F108 AromaticContact CD2-CE1 3.46Å; H106-F108 VanDerWaalsContact CD2-CE1 3.46Å; H106-F108 WeakPolarHBondContact CD2-CE1 3.27Å; H106-F108 AromaticContact CD2-CE2 3.97Å; H106-F108 AromaticContact CD2-CG 3.93Å; H106-F108 AromaticContact CD2-CZ 3.68Å; H106-R126 WeakPolarHBondContact O-CA 3.45Å; H106-Q127 PolarHBondContact O-N 3.04Å; H106-Q127 PolarHBondContact O-OE1 3.38Å; H106-G128 PolarHBondContact N-O 3.45Å; H106-Q130 HydrophobicContact CB-CB 3.69Å
107	N	70.1	Confident	65.7	Low	71 Å²	71	69.4 Å²	69.4	38%	0.38	36%	0.361	S	S	.	.			trans	-100.7	107.2	174.4	-62.8	-14.6	0	0	0	108	L125 R126 Q127	N107-L125 HydrophobicContact CB-CD2 4.36Å; N107-R126 VanDerWaalsContact OD1-CA 3.31Å; N107-R126 WeakPolarHBondContact OD1-CA 3.33Å; N107-R126 VanDerWaalsContact OD1-CG 3.31Å; N107-R126 WeakPolarHBondContact OD1-CG 3.48Å; N107-R126 PolarHBondContact OD1-N 2.65Å; N107-Q127 VanDerWaalsContact CA-OE1 3.26Å
108	F	68.8	Low	65.9	Low	17 Å²	17	66.8 Å²	66.8	8%	0.075	35%	0.345	C	S	.	.			trans	-82.3	126.9	177	-62.2	-83.4	0	0	0	108.9	H106 T112 L121 Q127 Q130 N137	H106-F108 HydrophobicContact CB-CE2 3.93Å; H106-F108 HydrophobicContact CB-CZ 3.96Å; H106-F108 AromaticContact CD2-CD1 3.61Å; H106-F108 AromaticContact CD2-CE1 3.46Å; H106-F108 VanDerWaalsContact CD2-CE1 3.46Å; H106-F108 WeakPolarHBondContact CD2-CE1 3.27Å; H106-F108 AromaticContact CD2-CE2 3.97Å; H106-F108 AromaticContact CD2-CG 3.93Å; H106-F108 AromaticContact CD2-CZ 3.68Å; F108-T112 HydrophobicContact CD1-CG2 3.63Å; F108-T112 WeakPolarHBondContact CD1-OG1 3.5Å; F108-T112 HydrophobicContact CE1-CG2 3.84Å; F108-T112 HydrophobicContact CG-CG2 4.32Å; F108-L121 HydrophobicContact CD2-CD1 4.4Å; F108-L121 HydrophobicContact CE2-CD1 3.96Å; F108-L121 HydrophobicContact CZ-CD1 4.03Å; F108-Q127 HydrophobicContact CD2-CB 4.03Å; F108-Q127 PolarHBondContact O-NE2 2.76Å; F108-Q130 HydrophobicContact CZ-CB 4.13Å; F108-N137 HydrophobicContact CE1-CB 3.96Å; F108-N137 WeakPolarHBondContact CE1-OD1 3.32Å; F108-N137 HydrophobicContact CZ-CB 3.76Å; F108-N137 WeakPolarHBondContact CZ-OD1 3.31Å
109	K	54.3	Low	66.1	Low	203 Å²	203	61.7 Å²	61.7	88%	0.883	32%	0.319	S	S	*	.	S	Bend	trans	-93.6	-2.6	-179.3	-62.5	-174.9	179.5	-176.7	0	113.4
110	V	54	Low	65.7	Low	111 Å²	111	61 Å²	61	67%	0.673	31%	0.313	S	S	*	.	S	Bend	trans	-136	153.9	178.7	-65	0	0	0	0	108.4	T112	V110-T112 PolarHBondContact O-N 2.93Å; V110-T112 PolarHBondContact O-OG1 2.82Å
111	L	51.7	Low	65.2	Low	138 Å²	138	56.9 Å²	56.9	72%	0.723	29%	0.286	S	S	*	.			trans	-55.7	110.2	175.5	-70.4	171.2	0	0	0	109.5	L120	L111-L120 HydrophobicContact CB-CD1 4.02Å; L111-L120 HydrophobicContact CD2-CD1 4.09Å; L111-L120 HydrophobicContact CD2-CD2 3.91Å
112	T	50.8	Low	63.8	Low	21 Å²	21	61.7 Å²	61.7	13%	0.129	30%	0.302	C	S	.	.			trans	-120.3	125.2	-172	-54.4	0	0	0	0	109.4	F108 V110 L121 N137	F108-T112 HydrophobicContact CD1-CG2 3.63Å; F108-T112 WeakPolarHBondContact CD1-OG1 3.5Å; F108-T112 HydrophobicContact CE1-CG2 3.84Å; F108-T112 HydrophobicContact CG-CG2 4.32Å; V110-T112 PolarHBondContact O-N 2.93Å; V110-T112 PolarHBondContact O-OG1 2.82Å; T112-L121 HydrophobicContact CG2-CD1 4Å; T112-L121 WeakPolarHBondContact O-CB 3.46Å; T112-L121 WeakPolarHBondContact O-CG 3.38Å; T112-L121 PolarHBondContact O-N 2.8Å; T112-N137 HydrophobicContact CG2-CB 4.24Å; T112-N137 VanDerWaalsContact CG2-ND2 3.33Å; T112-N137 WeakPolarHBondContact CG2-ND2 3.48Å
113	F	64.4	Low	62.1	Low	61 Å²	61	56.5 Å²	56.5	27%	0.268	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-89.9	151	-179.8	-65.7	-95.5	0	0	0	111.7	Y38 D115 L120	Y38-F113 HydrophobicContact CD2-CB 4.35Å; Y38-F113 HydrophobicContact CD2-CD1 4.22Å; Y38-F113 HydrophobicContact CD2-CD2 4.26Å; Y38-F113 HydrophobicContact CD2-CG 4.02Å; Y38-F113 HydrophobicContact CE2-CD1 4.26Å; Y38-F113 AromaticContact CE2-CD2 3.86Å; Y38-F113 HydrophobicContact CE2-CD2 3.86Å; Y38-F113 HydrophobicContact CE2-CE1 4.33Å; Y38-F113 AromaticContact CE2-CE2 3.93Å; Y38-F113 HydrophobicContact CE2-CE2 3.93Å; Y38-F113 HydrophobicContact CE2-CG 4.04Å; Y38-F113 HydrophobicContact CE2-CZ 4.17Å; F113-D115 PolarHBondContact O-N 3.28Å; F113-L120 HydrophobicContact CD1-CB 3.95Å; F113-L120 HydrophobicContact CD1-CD1 4.05Å; F113-L120 HydrophobicContact CD2-CD1 4.1Å; F113-L120 HydrophobicContact CE1-CB 3.83Å; F113-L120 HydrophobicContact CE1-CD1 3.84Å; F113-L120 HydrophobicContact CE1-CG 4.41Å; F113-L120 HydrophobicContact CE2-CD1 3.89Å; F113-L120 HydrophobicContact CG-CD1 4.18Å; F113-L120 HydrophobicContact CZ-CD1 3.74Å
114	W	67.3	Low	60.3	Low	3 Å²	3	62.6 Å²	62.6	1%	0.011	32%	0.323	C	S	.	.			trans	-70.4	118.3	170.5	-180	18	0	0	0	109.4	H116 C117 G118 S119 L121 N137 V138 H139 C142 V146	W114-H116 HydrophobicContact CD2-CB 4.47Å; W114-H116 HydrophobicContact CH2-CB 4.12Å; W114-H116 AromaticContact CH2-ND1 3.47Å; W114-H116 WeakPolarHBondContact CH2-ND1 3.22Å; W114-H116 HydrophobicContact CZ2-CB 3.42Å; W114-H116 VanDerWaalsContact CZ2-CB 3.42Å; W114-H116 AromaticContact CZ2-CG 3.78Å; W114-H116 AromaticContact CZ2-ND1 3.56Å; W114-H116 PolarHBondContact O-N 3.27Å; W114-C117 HydrophobicContact CD2-CB 4.02Å; W114-C117 VanDerWaalsContact CD2-N 3.34Å; W114-C117 HydrophobicContact CE3-CB 3.16Å; W114-C117 HydrophobicContact CH2-CB 4.26Å; W114-C117 HydrophobicContact CZ3-CB 3.25Å; W114-G118 VanDerWaalsContact O-CA 3.24Å; W114-G118 WeakPolarHBondContact O-CA 3.29Å; W114-G118 PolarHBondContact O-N 2.86Å; W114-S119 WeakPolarHBondContact CB-O 3.44Å; W114-S119 PolarHBondContact N-O 2.84Å; W114-L121 HydrophobicContact CB-CD2 4.29Å; W114-N137 PolarHBondContact NE1-O 3.01Å; W114-V138 VanDerWaalsContact CD1-CA 3.42Å; W114-V138 HydrophobicContact CD2-CG1 4.46Å; W114-V138 HydrophobicContact CZ2-CG1 4.16Å; W114-H139 AromaticContact CD2-ND1 3.89Å; W114-H139 AromaticContact CE3-ND1 3.45Å; W114-H139 AromaticContact CG-ND1 3.97Å; W114-C142 HydrophobicContact CD2-CB 4.12Å; W114-C142 HydrophobicContact CE3-CB 3.55Å; W114-C142 HydrophobicContact CH2-CB 3.5Å; W114-C142 VanDerWaalsContact CH2-CB 3.5Å; W114-C142 HydrophobicContact CZ2-CB 3.83Å; W114-C142 HydrophobicContact CZ3-CB 3.29Å; W114-C142 WeakPolarHBondContact CZ3-SG 3.49Å; W114-V146 HydrophobicContact CZ2-CG2 4.19Å
115	D	61.9	Low	58.7	Low	38 Å²	38	67 Å²	67	20%	0.203	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-12.4	177	-66.4	-64.2	0	0	0	116.7	S40 R43 F113 V136 N137	S40-D115 WeakPolarHBondContact CA-O 3.46Å; R43-D115 IonicContact NE-OD1 2.85Å; F113-D115 PolarHBondContact O-N 3.28Å; D115-V136 HydrophobicContact CB-CG2 3.54Å; D115-V136 WeakPolarHBondContact OD2-CA 3.07Å; D115-V136 WeakPolarHBondContact OD2-CG2 3.42Å; D115-N137 PolarHBondContact OD2-N 2.77Å
116	H	60.8	Low	57.5	Low	33 Å²	33	70.7 Å²	70.7	15%	0.153	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	-24.2	-176.5	-179.7	-72.2	0	0	0	116.6	S40 W114	S40-H116 WeakPolarHBondContact OG-CA 3.25Å; S40-H116 PolarHBondContact OG-O 3.18Å; W114-H116 HydrophobicContact CD2-CB 4.47Å; W114-H116 HydrophobicContact CH2-CB 4.12Å; W114-H116 AromaticContact CH2-ND1 3.47Å; W114-H116 WeakPolarHBondContact CH2-ND1 3.22Å; W114-H116 HydrophobicContact CZ2-CB 3.42Å; W114-H116 VanDerWaalsContact CZ2-CB 3.42Å; W114-H116 AromaticContact CZ2-CG 3.78Å; W114-H116 AromaticContact CZ2-ND1 3.56Å; W114-H116 PolarHBondContact O-N 3.27Å
117	C	52.5	Low	57.5	Low	17 Å²	17	68.6 Å²	68.6	12%	0.115	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-15	160.4	73.9	0	0	0	0	113.9	W114 S119 H139	W114-C117 HydrophobicContact CD2-CB 4.02Å; W114-C117 VanDerWaalsContact CD2-N 3.34Å; W114-C117 HydrophobicContact CE3-CB 3.16Å; W114-C117 HydrophobicContact CH2-CB 4.26Å; W114-C117 HydrophobicContact CZ3-CB 3.25Å; C117-S119 PolarHBondContact O-N 3.43Å; C117-S119 WeakPolarHBondContact SG-CB 3.31Å; C117-S119 PolarHBondContact SG-N 2.54Å; C117-S119 PolarHBondContact SG-OG 2.89Å; C117-H139 VanDerWaalsContact SG-CE1 3.55Å
118	G	57.9	Low	57.9	Low	1 Å²	1	65.2 Å²	65.2	1%	0.01	32%	0.324	C	S	.	.			trans	74	0.8	-175.9	0	0	0	0	0	115.2	W114	W114-G118 VanDerWaalsContact O-CA 3.24Å; W114-G118 WeakPolarHBondContact O-CA 3.29Å; W114-G118 PolarHBondContact O-N 2.86Å
119	S	60.2	Low	58.4	Low	19 Å²	19	64.9 Å²	64.9	13%	0.133	32%	0.323	C	S	.	.			trans	-91.9	151.8	177.1	-45.4	0	0	0	0	112.6	Q35 W114 C117 H139	Q35-S119 PolarHBondContact NE2-OG 3.07Å; Q35-S119 VanDerWaalsContact NE2-OG 3.1Å; Q35-S119 PolarHBondContact OE1-OG 3.37Å; W114-S119 WeakPolarHBondContact CB-O 3.44Å; W114-S119 PolarHBondContact N-O 2.84Å; C117-S119 PolarHBondContact O-N 3.43Å; C117-S119 WeakPolarHBondContact SG-CB 3.31Å; C117-S119 PolarHBondContact SG-N 2.54Å; C117-S119 PolarHBondContact SG-OG 2.89Å; S119-H139 PolarHBondContact O-CE1 3.02Å
120	L	62.6	Low	59.7	Low	52 Å²	52	56.8 Å²	56.8	27%	0.272	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-63.4	140.5	-173.8	-171.7	70	0	0	0	113.9	L111 F113 H139	L111-L120 HydrophobicContact CB-CD1 4.02Å; L111-L120 HydrophobicContact CD2-CD1 4.09Å; L111-L120 HydrophobicContact CD2-CD2 3.91Å; F113-L120 HydrophobicContact CD1-CB 3.95Å; F113-L120 HydrophobicContact CD1-CD1 4.05Å; F113-L120 HydrophobicContact CD2-CD1 4.1Å; F113-L120 HydrophobicContact CE1-CB 3.83Å; F113-L120 HydrophobicContact CE1-CD1 3.84Å; F113-L120 HydrophobicContact CE1-CG 4.41Å; F113-L120 HydrophobicContact CE2-CD1 3.89Å; F113-L120 HydrophobicContact CG-CD1 4.18Å; F113-L120 HydrophobicContact CZ-CD1 3.74Å; L120-H139 PolarHBondContact O-NE2 3.49Å
121	L	60.2	Low	61	Low	8 Å²	8	51.5 Å²	51.5	4%	0.042	26%	0.256	C	S	.	.			trans	-82.7	112.5	171.1	-63.3	162	0	0	0	109.6	F108 T112 W114 Q127 N137 V138 H139	F108-L121 HydrophobicContact CD2-CD1 4.4Å; F108-L121 HydrophobicContact CE2-CD1 3.96Å; F108-L121 HydrophobicContact CZ-CD1 4.03Å; T112-L121 HydrophobicContact CG2-CD1 4Å; T112-L121 WeakPolarHBondContact O-CB 3.46Å; T112-L121 WeakPolarHBondContact O-CG 3.38Å; T112-L121 PolarHBondContact O-N 2.8Å; W114-L121 HydrophobicContact CB-CD2 4.29Å; L121-Q127 HydrophobicContact CB-CB 4.19Å; L121-N137 HydrophobicContact CD1-CB 3.56Å; L121-V138 VanDerWaalsContact CD2-C 3.45Å; L121-H139 HydrophobicContact CD2-CB 4.28Å; L121-H139 VanDerWaalsContact CD2-CD2 3.41Å; L121-H139 WeakPolarHBondContact CD2-CD2 3.39Å
122	W	47.8	Very low	62.3	Low	140 Å²	140	50.9 Å²	50.9	53%	0.53	25%	0.247	S	C	.	.			trans	-91.3	143.9	-165.7	-162.5	76.7	0	0	0	114.8	Q127 D403	W122-Q127 VanDerWaalsContact O-CA 3.28Å; W122-Q127 WeakPolarHBondContact O-CA 3.13Å; W122-Q127 VanDerWaalsContact O-CB 3.24Å; W122-Q127 WeakPolarHBondContact O-CB 3.35Å; W122-Q127 WeakPolarHBondContact O-CG 3.49Å; W122-D403 VanDerWaalsContact CE2-O 3.23Å; W122-D403 HydrophobicContact CH2-CB 4Å; W122-D403 HydrophobicContact CZ2-CB 3.41Å; W122-D403 VanDerWaalsContact CZ2-CB 3.41Å; W122-D403 VanDerWaalsContact CZ2-O 3.27Å; W122-D403 WeakPolarHBondContact CZ2-O 3.26Å; W122-D403 PolarHBondContact NE1-O 2.93Å
123	G	45.5	Very low	63.4	Low	33 Å²	33	54.6 Å²	54.6	34%	0.34	27%	0.27	S	S	.	.	S	Bend	trans	118.5	168.6	171.3	0	0	0	0	0	115.9	Q127	G123-Q127 VanDerWaalsContact C-CG 3.43Å; G123-Q127 VanDerWaalsContact O-CD 3.28Å; G123-Q127 WeakPolarHBondContact O-CG 3.03Å; G123-Q127 PolarHBondContact O-NE2 3.26Å
124	L	45.4	Very low	63.7	Low	166 Å²	166	53.6 Å²	53.6	87%	0.869	27%	0.27	S	S	*	.	S	Bend	trans	-87	-26.3	177.9	-67	171	0	0	0	113.7	Q127	L124-Q127 VanDerWaalsContact C-NE2 3.32Å; L124-Q127 PolarHBondContact O-NE2 3Å
125	L	46.2	Very low	64.2	Low	127 Å²	127	59.1 Å²	59.1	67%	0.665	29%	0.294	S	S	*	.	S	Bend	trans	-144.1	144.1	178.2	-66.8	168.2	0	0	0	109.2	N107 Q127	N107-L125 HydrophobicContact CB-CD2 4.36Å; L125-Q127 VanDerWaalsContact C-N 3.32Å; L125-Q127 PolarHBondContact O-N 3.32Å
126	R	56.5	Low	64.9	Low	159 Å²	159	58.2 Å²	58.2	60%	0.6	29%	0.29	S	S	*	.			trans	60.2	34.7	174.6	-55.9	-176.9	176	-174.5	1	114.4	I105 H106 N107 G128 R140	I105-R126 HydrophobicContact CG2-CB 3.49Å; I105-R126 VanDerWaalsContact CG2-CB 3.49Å; I105-R126 HydrophobicContact CG2-CG 3.56Å; H106-R126 WeakPolarHBondContact O-CA 3.45Å; N107-R126 VanDerWaalsContact OD1-CA 3.31Å; N107-R126 WeakPolarHBondContact OD1-CA 3.33Å; N107-R126 VanDerWaalsContact OD1-CG 3.31Å; N107-R126 WeakPolarHBondContact OD1-CG 3.48Å; N107-R126 PolarHBondContact OD1-N 2.65Å; R126-G128 PolarHBondContact O-N 2.64Å; R126-R140 PolarHBondContact O-NH2 2.93Å
127	Q	68.5	Low	65.8	Low	22 Å²	22	57.7 Å²	57.7	10%	0.103	29%	0.288	C	S	.	.			trans	-61.7	-26.9	-171.8	-55.1	89.8	-23.8	0	0	114	H106 N107 F108 L121 W122 G123 L124 L125	H106-Q127 PolarHBondContact O-N 3.04Å; H106-Q127 PolarHBondContact O-OE1 3.38Å; N107-Q127 VanDerWaalsContact CA-OE1 3.26Å; F108-Q127 HydrophobicContact CD2-CB 4.03Å; F108-Q127 PolarHBondContact O-NE2 2.76Å; L121-Q127 HydrophobicContact CB-CB 4.19Å; W122-Q127 VanDerWaalsContact O-CA 3.28Å; W122-Q127 WeakPolarHBondContact O-CA 3.13Å; W122-Q127 VanDerWaalsContact O-CB 3.24Å; W122-Q127 WeakPolarHBondContact O-CB 3.35Å; W122-Q127 WeakPolarHBondContact O-CG 3.49Å; G123-Q127 VanDerWaalsContact C-CG 3.43Å; G123-Q127 VanDerWaalsContact O-CD 3.28Å; G123-Q127 WeakPolarHBondContact O-CG 3.03Å; G123-Q127 PolarHBondContact O-NE2 3.26Å; L124-Q127 VanDerWaalsContact C-NE2 3.32Å; L124-Q127 PolarHBondContact O-NE2 3Å; L125-Q127 VanDerWaalsContact C-N 3.32Å; L125-Q127 PolarHBondContact O-N 3.32Å
128	G	78.1	Confident	67	Low	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	-175.9	-175.9	0	0	0	0	0	113.2	H106 R126 V138	H106-G128 PolarHBondContact N-O 3.45Å; R126-G128 PolarHBondContact O-N 2.64Å; G128-V138 WeakPolarHBondContact CA-O 3.44Å
129	L	79.3	Confident	67.8	Low	10 Å²	10	57.5 Å²	57.5	5%	0.052	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	135.9	172.6	-61.7	174.7	0	0	0	108.4	F103 S104 I105 N137 V138 R140 E143	F103-L129 HydrophobicContact CB-CB 4.04Å; F103-L129 HydrophobicContact CB-CD1 4.21Å; F103-L129 HydrophobicContact CD1-CB 4.01Å; F103-L129 HydrophobicContact CG-CB 4.19Å; F103-L129 HydrophobicContact CG-CD1 4.49Å; S104-L129 CarbonylContact O-C 3.43Å; S104-L129 WeakPolarHBondContact O-CA 3.49Å; I105-L129 HydrophobicContact CG1-CD2 3.87Å; L129-N137 CarbonylContact O-C 3.54Å; L129-N137 WeakPolarHBondContact O-CA 3.29Å; L129-V138 PolarHBondContact N-O 3.06Å; L129-V138 PolarHBondContact O-N 3.31Å; L129-R140 HydrophobicContact CD1-CG 4.32Å; L129-R140 HydrophobicContact CD2-CG 4.36Å; L129-R140 HydrophobicContact CG-CG 4.25Å; L129-E143 HydrophobicContact CD1-CB 3.96Å; L129-E143 HydrophobicContact CD1-CG 4Å; L129-E143 WeakPolarHBondContact CD1-OE2 3.09Å
130	Q	83	Confident	68.6	Low	34 Å²	34	63 Å²	63	16%	0.159	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.6	168.4	-177.1	175.9	82.7	0	0	109.4	S104 H106 F108 K132 V136 N137	S104-Q130 PolarHBondContact N-O 2.91Å; S104-Q130 PolarHBondContact O-N 2.84Å; H106-Q130 HydrophobicContact CB-CB 3.69Å; F108-Q130 HydrophobicContact CZ-CB 4.13Å; Q130-K132 PolarHBondContact O-N 2.92Å; Q130-V136 WeakPolarHBondContact CA-O 3.39Å; Q130-N137 VanDerWaalsContact CG-OD1 3.32Å; Q130-N137 WeakPolarHBondContact CG-OD1 3.29Å; Q130-N137 PolarHBondContact NE2-OD1 2.73Å
131	C	80.8	Confident	69	Low	0 Å²	0	70.1 Å²	70.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	124.5	171.7	-178.7	0	0	0	0	109.4	H101 K102 F103 V133 C134 K135 V136 C150	H101-C131 HydrophobicContact CB-CB 4.46Å; K102-C131 WeakPolarHBondContact O-CA 3.4Å; F103-C131 HydrophobicContact CD1-CB 3.95Å; F103-C131 HydrophobicContact CE1-CB 3.72Å; C131-V133 PolarHBondContact O-N 2.79Å; C131-V133 VanDerWaalsContact O-N 3.16Å; C131-C134 VanDerWaalsContact SG-SG 3.62Å; C131-K135 VanDerWaalsContact O-CA 3.24Å; C131-K135 WeakPolarHBondContact O-CA 3.43Å; C131-K135 PolarHBondContact O-N 3.38Å; C131-V136 HydrophobicContact CB-CG1 3.75Å; C131-V136 PolarHBondContact N-O 3.3Å; C131-C150 PolarHBondContact SG-SG 3.39Å
132	K	78.4	Confident	69.5	Low	124 Å²	124	70.4 Å²	70.4	54%	0.539	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-27.2	-179.4	-65.9	-168.5	179.4	-172	0	113.3	K102 S104 Q130 K135	K102-K132 PolarHBondContact O-N 2.9Å; S104-K132 VanDerWaalsContact CB-CE 3.41Å; S104-K132 WeakPolarHBondContact OG-CE 3.02Å; S104-K132 WeakPolarHBondContact OG-CG 3.27Å; Q130-K132 PolarHBondContact O-N 2.92Å; K132-K135 PolarHBondContact O-NZ 3.12Å
133	V	74.8	Confident	70.8	Confident	99 Å²	99	68.3 Å²	68.3	60%	0.6	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-65.9	-174.2	-177.8	0	0	0	0	111.4	C131	C131-V133 PolarHBondContact O-N 2.79Å; C131-V133 VanDerWaalsContact O-N 3.16Å
134	C	70.1	Confident	71.9	Confident	41 Å²	41	71.5 Å²	71.5	28%	0.277	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	1.8	-174.1	67.4	0	0	0	0	114.8	H101 C131 V136	H101-C134 PolarHBondContact CE1-SG 3.14Å; H101-C134 PolarHBondContact ND1-SG 3.49Å; C131-C134 VanDerWaalsContact SG-SG 3.62Å; C134-V136 PolarHBondContact O-N 2.66Å; C134-V136 VanDerWaalsContact SG-CG1 3.6Å
135	K	78.4	Confident	73.1	Confident	118 Å²	118	66.3 Å²	66.3	51%	0.513	32%	0.315	S	S	.	.			trans	59.4	12.9	179.4	-51.5	-55.7	-173.3	-169.8	0	116.1	C131 K132 N137	C131-K135 VanDerWaalsContact O-CA 3.24Å; C131-K135 WeakPolarHBondContact O-CA 3.43Å; C131-K135 PolarHBondContact O-N 3.38Å; K132-K135 PolarHBondContact O-NZ 3.12Å; K135-N137 PolarHBondContact O-N 2.87Å; K135-N137 PolarHBondContact O-OD1 2.92Å
136	V	76.1	Confident	74.2	Confident	20 Å²	20	61.6 Å²	61.6	12%	0.121	29%	0.292	C	S	.	.			trans	-62.2	134.2	171.6	78.5	0	0	0	0	109.8	H101 F103 D115 Q130 C131 C134 V138	H101-V136 WeakPolarHBondContact ND1-CG1 3.42Å; F103-V136 HydrophobicContact CE1-CG1 3.75Å; F103-V136 HydrophobicContact CZ-CG1 4.02Å; D115-V136 HydrophobicContact CB-CG2 3.54Å; D115-V136 WeakPolarHBondContact OD2-CA 3.07Å; D115-V136 WeakPolarHBondContact OD2-CG2 3.42Å; Q130-V136 WeakPolarHBondContact CA-O 3.39Å; C131-V136 HydrophobicContact CB-CG1 3.75Å; C131-V136 PolarHBondContact N-O 3.3Å; C134-V136 PolarHBondContact O-N 2.66Å; C134-V136 VanDerWaalsContact SG-CG1 3.6Å; V136-V138 HydrophobicContact CG1-CG2 4.4Å
137	N	79.1	Confident	74.8	Confident	21 Å²	21	54.8 Å²	54.8	11%	0.112	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	144.2	-178.8	-51.7	-47.6	0	0	0	108.5	F108 T112 W114 D115 L121 L129 Q130 K135	F108-N137 HydrophobicContact CE1-CB 3.96Å; F108-N137 WeakPolarHBondContact CE1-OD1 3.32Å; F108-N137 HydrophobicContact CZ-CB 3.76Å; F108-N137 WeakPolarHBondContact CZ-OD1 3.31Å; T112-N137 HydrophobicContact CG2-CB 4.24Å; T112-N137 VanDerWaalsContact CG2-ND2 3.33Å; T112-N137 WeakPolarHBondContact CG2-ND2 3.48Å; W114-N137 PolarHBondContact NE1-O 3.01Å; D115-N137 PolarHBondContact OD2-N 2.77Å; L121-N137 HydrophobicContact CD1-CB 3.56Å; L129-N137 CarbonylContact O-C 3.54Å; L129-N137 WeakPolarHBondContact O-CA 3.29Å; Q130-N137 VanDerWaalsContact CG-OD1 3.32Å; Q130-N137 WeakPolarHBondContact CG-OD1 3.29Å; Q130-N137 PolarHBondContact NE2-OD1 2.73Å; K135-N137 PolarHBondContact O-N 2.87Å; K135-N137 PolarHBondContact O-OD1 2.92Å
138	V	77.4	Confident	74.8	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	141.1	-174	-174.3	0	0	0	0	111.2	F103 W114 L121 G128 L129 V136 C142 V146	F103-V138 HydrophobicContact CD1-CG2 4.4Å; F103-V138 HydrophobicContact CE1-CB 4.24Å; F103-V138 HydrophobicContact CE1-CG2 3.48Å; F103-V138 VanDerWaalsContact CE1-CG2 3.48Å; F103-V138 HydrophobicContact CE2-CG2 4.48Å; F103-V138 HydrophobicContact CZ-CB 4.43Å; F103-V138 HydrophobicContact CZ-CG2 3.54Å; W114-V138 VanDerWaalsContact CD1-CA 3.42Å; W114-V138 HydrophobicContact CD2-CG1 4.46Å; W114-V138 HydrophobicContact CZ2-CG1 4.16Å; L121-V138 VanDerWaalsContact CD2-C 3.45Å; G128-V138 WeakPolarHBondContact CA-O 3.44Å; L129-V138 PolarHBondContact N-O 3.06Å; L129-V138 PolarHBondContact O-N 3.31Å; V136-V138 HydrophobicContact CG1-CG2 4.4Å; V138-C142 HydrophobicContact CG1-CB 4.04Å; V138-V146 HydrophobicContact CG1-CG2 3.7Å; V138-V146 HydrophobicContact CG2-CG2 3.94Å
139	H	76.1	Confident	74.5	Confident	15 Å²	15	58.2 Å²	58.2	7%	0.069	29%	0.293	C	S	.	.			trans	-63.6	144.1	169.5	-66.5	114.9	0	0	0	110.1	W114 C117 S119 L120 L121 R141 C142 E143	W114-H139 AromaticContact CD2-ND1 3.89Å; W114-H139 AromaticContact CE3-ND1 3.45Å; W114-H139 AromaticContact CG-ND1 3.97Å; C117-H139 VanDerWaalsContact SG-CE1 3.55Å; S119-H139 PolarHBondContact O-CE1 3.02Å; L120-H139 PolarHBondContact O-NE2 3.49Å; L121-H139 HydrophobicContact CD2-CB 4.28Å; L121-H139 VanDerWaalsContact CD2-CD2 3.41Å; L121-H139 WeakPolarHBondContact CD2-CD2 3.39Å; H139-R141 HydrophobicContact CB-CG 4.08Å; H139-R141 PolarHBondContact O-N 3.47Å; H139-R141 VanDerWaalsContact O-N 3.14Å; H139-C142 HydrophobicContact CB-CB 3.93Å; H139-C142 PolarHBondContact O-N 2.95Å; H139-E143 PolarHBondContact O-N 2.85Å
140	R	76.1	Confident	74.2	Confident	135 Å²	135	58.2 Å²	58.2	51%	0.509	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-56.4	-36.1	177.4	-143.1	-176.9	-74.8	167.5	1.3	112.8	R126 L129 C142	R126-R140 PolarHBondContact O-NH2 2.93Å; L129-R140 HydrophobicContact CD1-CG 4.32Å; L129-R140 HydrophobicContact CD2-CG 4.36Å; L129-R140 HydrophobicContact CG-CG 4.25Å; R140-C142 VanDerWaalsContact C-N 3.29Å; R140-C142 PolarHBondContact O-N 3.19Å
141	R	71.1	Confident	73.3	Confident	201 Å²	201	59.4 Å²	59.4	76%	0.758	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-74.1	-12.6	176.5	70.8	-176.7	176.5	-175.9	-3.3	114.9	H139	H139-R141 HydrophobicContact CB-CG 4.08Å; H139-R141 PolarHBondContact O-N 3.47Å; H139-R141 VanDerWaalsContact O-N 3.14Å
142	C	71.3	Confident	72.7	Confident	13 Å²	13	61.5 Å²	61.5	9%	0.088	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-107.9	0.6	-172.5	-65.3	0	0	0	0	113.3	W114 V138 H139 R140 S144 N145	W114-C142 HydrophobicContact CD2-CB 4.12Å; W114-C142 HydrophobicContact CE3-CB 3.55Å; W114-C142 HydrophobicContact CH2-CB 3.5Å; W114-C142 VanDerWaalsContact CH2-CB 3.5Å; W114-C142 HydrophobicContact CZ2-CB 3.83Å; W114-C142 HydrophobicContact CZ3-CB 3.29Å; W114-C142 WeakPolarHBondContact CZ3-SG 3.49Å; V138-C142 HydrophobicContact CG1-CB 4.04Å; H139-C142 HydrophobicContact CB-CB 3.93Å; H139-C142 PolarHBondContact O-N 2.95Å; R140-C142 VanDerWaalsContact C-N 3.29Å; R140-C142 PolarHBondContact O-N 3.19Å; C142-S144 VanDerWaalsContact C-N 3.3Å; C142-S144 PolarHBondContact O-N 3.49Å; C142-N145 PolarHBondContact O-N 3.24Å
143	E	74.9	Confident	72	Confident	97 Å²	97	59.5 Å²	59.5	45%	0.453	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-53.1	-44	-177.9	-175.9	174.2	-163.1	0	0	112.8	F103 L129 H139 N145 V146	F103-E143 HydrophobicContact CD2-CG 4.09Å; L129-E143 HydrophobicContact CD1-CB 3.96Å; L129-E143 HydrophobicContact CD1-CG 4Å; L129-E143 WeakPolarHBondContact CD1-OE2 3.09Å; H139-E143 PolarHBondContact O-N 2.85Å; E143-N145 PolarHBondContact O-N 3.37Å; E143-V146 PolarHBondContact O-N 2.79Å
144	S	68.9	Low	71.3	Confident	100 Å²	100	56.2 Å²	56.2	70%	0.699	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-68.9	-14	-179.4	61.8	0	0	0	0	114.4	C142	C142-S144 VanDerWaalsContact C-N 3.3Å; C142-S144 PolarHBondContact O-N 3.49Å
145	N	69.7	Low	70.7	Confident	57 Å²	57	59.6 Å²	59.6	31%	0.305	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-99.4	6.5	-176.3	-63.6	-29	0	0	0	112.8	C142 E143	C142-N145 PolarHBondContact O-N 3.24Å; E143-N145 PolarHBondContact O-N 3.37Å
146	V	69.4	Low	69.7	Low	28 Å²	28	62.6 Å²	62.6	17%	0.17	32%	0.321	C	S	.	.	S	Bend	trans	-90.6	128.8	179.8	-175.1	0	0	0	0	110.4	F103 W114 V138 E143	F103-V146 HydrophobicContact CE2-CG1 4.49Å; F103-V146 HydrophobicContact CZ-CG1 4.21Å; F103-V146 HydrophobicContact CZ-CG2 4.42Å; W114-V146 HydrophobicContact CZ2-CG2 4.19Å; V138-V146 HydrophobicContact CG1-CG2 3.7Å; V138-V146 HydrophobicContact CG2-CG2 3.94Å; E143-V146 PolarHBondContact O-N 2.79Å
147	A	68.7	Low	68.9	Low	16 Å²	16	64.1 Å²	64.1	13%	0.132	33%	0.328	C	S	.	.			trans	-65.6	139.9	174.7	0	0	0	0	0	111.2	T74 H101 T149	T74-A147 HydrophobicContact CG2-CB 4.47Å; H101-A147 PolarHBondContact CD2-O 3.16Å; H101-A147 PolarHBondContact NE2-O 3.12Å; A147-T149 VanDerWaalsContact C-N 3.27Å; A147-T149 PolarHBondContact O-N 3.17Å
148	P	68.4	Low	67.8	Low	54 Å²	54	63.9 Å²	63.9	35%	0.351	33%	0.329	S	S	.	.	S	Bend	trans	-79.7	69.9	-178.6	33.6	-36	0	0	0	111.3	N98 V99	N98-P148 CarbonylContact C-O 3.6Å; N98-P148 WeakPolarHBondContact CA-O 3.2Å; N98-P148 WeakPolarHBondContact OD1-CB 3.39Å; N98-P148 VanDerWaalsContact OD1-CG 3.26Å; N98-P148 WeakPolarHBondContact OD1-CG 3.47Å; V99-P148 CarbonylContact C-O 3.47Å; V99-P148 PolarHBondContact N-O 3.38Å; V99-P148 CarbonylContact O-C 3.41Å; V99-P148 VanDerWaalsContact O-O 3.09Å
149	T	73.3	Confident	66.7	Low	39 Å²	39	69.1 Å²	69.1	24%	0.239	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-127.7	44.3	-179.5	55.5	0	0	0	0	111.9	T74 V97 V99 A147 G151 V152	T74-T149 HydrophobicContact CG2-CG2 4.34Å; V97-T149 WeakPolarHBondContact O-CG2 3.44Å; V99-T149 PolarHBondContact O-N 2.84Å; A147-T149 VanDerWaalsContact C-N 3.27Å; A147-T149 PolarHBondContact O-N 3.17Å; T149-G151 PolarHBondContact O-N 3.41Å; T149-V152 WeakPolarHBondContact O-CB 3.48Å; T149-V152 WeakPolarHBondContact O-CG2 3.31Å; T149-V152 PolarHBondContact O-N 3.29Å
150	C	72.3	Confident	65.7	Low	11 Å²	11	71 Å²	71	7%	0.074	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	128.4	-175	-177.4	0	0	0	0	112.5	V99 H101 C131 V152	V99-C150 HydrophobicContact CG1-CB 4.13Å; V99-C150 WeakPolarHBondContact O-CB 3.5Å; V99-C150 PolarHBondContact O-N 3.09Å; H101-C150 HydrophobicContact CB-CB 4.28Å; H101-C150 PolarHBondContact NE2-N 3.2Å; C131-C150 PolarHBondContact SG-SG 3.39Å; C150-V152 VanDerWaalsContact C-N 3.32Å
151	G	64	Low	64.5	Low	58 Å²	58	68.4 Å²	68.4	60%	0.598	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	4.9	178.8	0	0	0	0	0	114.5	T149	T149-G151 PolarHBondContact O-N 3.41Å
152	V	68.4	Low	63.6	Low	45 Å²	45	65.8 Å²	65.8	27%	0.273	36%	0.355	S	S	.	.			trans	-95.2	118.4	179.7	-174.2	0	0	0	0	109.8	V97 T149 C150 A154 I157	V97-V152 HydrophobicContact CB-CG2 4.21Å; V97-V152 HydrophobicContact CG1-CG2 3.6Å; T149-V152 WeakPolarHBondContact O-CB 3.48Å; T149-V152 WeakPolarHBondContact O-CG2 3.31Å; T149-V152 PolarHBondContact O-N 3.29Å; C150-V152 VanDerWaalsContact C-N 3.32Å; V152-A154 PolarHBondContact O-N 3.39Å; V152-I157 HydrophobicContact CG1-CD1 3.26Å; V152-I157 HydrophobicContact CG1-CG1 4.48Å
153	D	63.9	Low	62.7	Low	81 Å²	81	71.2 Å²	71.2	43%	0.433	38%	0.38	S	S	.	.			trans	-82.1	94	172.6	-176	-9.8	0	0	0	110	R155 R156 I157	D153-R155 PolarHBondContact O-N 3.16Å; D153-R155 WeakPolarHBondContact OD1-CB 3.1Å; D153-R155 PolarHBondContact OD1-N 3.44Å; D153-R155 VanDerWaalsContact OD1-N 3.08Å; D153-R156 HydrophobicContact CB-CB 4.1Å; D153-R156 HydrophobicContact CB-CG 4.48Å; D153-R156 PolarHBondContact O-N 2.84Å; D153-R156 PolarHBondContact OD1-N 3.13Å; D153-R156 VanDerWaalsContact OD2-CD 3.31Å; D153-R156 WeakPolarHBondContact OD2-CD 3.46Å; D153-R156 VanDerWaalsContact OD2-CG 3.28Å; D153-R156 WeakPolarHBondContact OD2-CG 3.42Å; D153-I157 WeakPolarHBondContact O-CG1 3.46Å; D153-I157 PolarHBondContact O-N 3.4Å
154	A	59.1	Low	61.4	Low	30 Å²	30	76.7 Å²	76.7	25%	0.248	40%	0.396	C	S	.	.	H	α-helix	trans	-60.4	-27.3	-178.4	0	0	0	0	0	113.4	I73 V152 A158	I73-A154 HydrophobicContact CD1-CB 3.85Å; I73-A154 HydrophobicContact CG1-CB 4.11Å; V152-A154 PolarHBondContact O-N 3.39Å; A154-A158 VanDerWaalsContact O-CB 3.26Å; A154-A158 WeakPolarHBondContact O-CB 3.48Å; A154-A158 PolarHBondContact O-N 3.3Å
155	R	58.5	Low	60.2	Low	112 Å²	112	75.2 Å²	75.2	42%	0.423	40%	0.397	S	S	.	.	H	α-helix	trans	-70.5	-47.9	175.1	-88.1	174.5	156.6	165.9	-8.9	110.9	C42 D44 D153 I157 A158 K159	C42-R155 VanDerWaalsContact CA-CZ 3.44Å; C42-R155 VanDerWaalsContact CA-NH2 3.29Å; C42-R155 PolarHBondContact O-NH1 3.31Å; C42-R155 PolarHBondContact O-NH2 3.39Å; D44-R155 IonicContact OD1-NH2 3.55Å; D44-R155 IonicContact OD2-NH2 3.2Å; D44-R155 PolarHBondContact OD2-NH2 3.4Å; D153-R155 PolarHBondContact O-N 3.16Å; D153-R155 WeakPolarHBondContact OD1-CB 3.1Å; D153-R155 PolarHBondContact OD1-N 3.44Å; D153-R155 VanDerWaalsContact OD1-N 3.08Å; R155-I157 VanDerWaalsContact C-N 3.31Å; R155-I157 PolarHBondContact O-N 2.92Å; R155-A158 PolarHBondContact O-N 2.7Å; R155-K159 VanDerWaalsContact O-CB 3.31Å; R155-K159 WeakPolarHBondContact O-CB 3.48Å; R155-K159 PolarHBondContact O-N 3.48Å
156	R	56.9	Low	58.5	Low	181 Å²	181	76.8 Å²	76.8	68%	0.683	42%	0.418	S	S	*	.	H	α-helix	trans	-61.5	-39.7	176	-85	179.9	104.9	175.8	6.7	111.9	D153 T160	D153-R156 HydrophobicContact CB-CB 4.1Å; D153-R156 HydrophobicContact CB-CG 4.48Å; D153-R156 PolarHBondContact O-N 2.84Å; D153-R156 PolarHBondContact OD1-N 3.13Å; D153-R156 VanDerWaalsContact OD2-CD 3.31Å; D153-R156 WeakPolarHBondContact OD2-CD 3.46Å; D153-R156 VanDerWaalsContact OD2-CG 3.28Å; D153-R156 WeakPolarHBondContact OD2-CG 3.42Å; R156-T160 WeakPolarHBondContact O-CB 3.41Å; R156-T160 PolarHBondContact O-N 3.08Å; R156-T160 PolarHBondContact O-OG1 3.44Å
157	I	59.4	Low	56.6	Low	52 Å²	52	79.6 Å²	79.6	27%	0.267	45%	0.452	S	S	.	.	H	α-helix	trans	-69.6	-44.9	179.1	-65.5	-178.7	0	0	0	111.4	I73 V152 D153 R155 K159 T160 M161	I73-I157 HydrophobicContact CD1-CB 4.04Å; I73-I157 HydrophobicContact CD1-CG2 3.88Å; V152-I157 HydrophobicContact CG1-CD1 3.26Å; V152-I157 HydrophobicContact CG1-CG1 4.48Å; D153-I157 WeakPolarHBondContact O-CG1 3.46Å; D153-I157 PolarHBondContact O-N 3.4Å; R155-I157 VanDerWaalsContact C-N 3.31Å; R155-I157 PolarHBondContact O-N 2.92Å; I157-K159 VanDerWaalsContact C-N 3.31Å; I157-K159 PolarHBondContact O-N 3.1Å; I157-T160 PolarHBondContact O-N 2.77Å; I157-M161 HydrophobicContact CG2-CE 3.71Å; I157-M161 HydrophobicContact CG2-CG 4.33Å; I157-M161 HydrophobicContact CG2-SD 3.95Å; I157-M161 WeakPolarHBondContact O-CB 3.42Å; I157-M161 VanDerWaalsContact O-CG 3.26Å; I157-M161 WeakPolarHBondContact O-CG 3.35Å; I157-M161 PolarHBondContact O-N 3.1Å
158	A	55.9	Low	54.7	Low	17 Å²	17	82.7 Å²	82.7	14%	0.14	49%	0.485	C	S	.	.	H	α-helix	trans	-58.5	-44.4	175.2	0	0	0	0	0	111.4	A154 R155 M161 E162	A154-A158 VanDerWaalsContact O-CB 3.26Å; A154-A158 WeakPolarHBondContact O-CB 3.48Å; A154-A158 PolarHBondContact O-N 3.3Å; R155-A158 PolarHBondContact O-N 2.7Å; A158-M161 PolarHBondContact O-N 3.08Å; A158-E162 PolarHBondContact O-N 3.26Å; A158-E162 VanDerWaalsContact O-N 3.07Å
159	K	54.8	Low	52.8	Low	109 Å²	109	86.4 Å²	86.4	47%	0.474	51%	0.507	S	S	.	.	H	α-helix	trans	-63.5	-42.2	176.8	-167	176.6	-179.3	-179.3	0	112.7	R155 I157 M161 E162 E163	R155-K159 VanDerWaalsContact O-CB 3.31Å; R155-K159 WeakPolarHBondContact O-CB 3.48Å; R155-K159 PolarHBondContact O-N 3.48Å; I157-K159 VanDerWaalsContact C-N 3.31Å; I157-K159 PolarHBondContact O-N 3.1Å; K159-M161 VanDerWaalsContact C-N 3.3Å; K159-M161 PolarHBondContact O-N 3.42Å; K159-E162 PolarHBondContact O-N 3.49Å; K159-E163 WeakPolarHBondContact O-CG 3.47Å; K159-E163 PolarHBondContact O-N 3.35Å
160	T	55.3	Low	50.6	Low	55 Å²	55	92.3 Å²	92.3	34%	0.337	54%	0.537	S	S	.	.	H	α-helix	trans	-68.7	-29.6	177.1	-50.7	0	0	0	0	112.1	R156 I157 R164	R156-T160 WeakPolarHBondContact O-CB 3.41Å; R156-T160 PolarHBondContact O-N 3.08Å; R156-T160 PolarHBondContact O-OG1 3.44Å; I157-T160 PolarHBondContact O-N 2.77Å; T160-R164 WeakPolarHBondContact O-CG 3.46Å; T160-R164 PolarHBondContact O-N 2.89Å
161	M	51.1	Low	48.4	Very low	80 Å²	80	95.1 Å²	95.1	39%	0.394	57%	0.568	S	S	.	*	H	α-helix	trans	-73.8	-30.9	175.5	-75.7	179.1	170	0	0	112.1	F95 I157 A158 K159	F95-M161 HydrophobicContact CD2-CE 3.66Å; F95-M161 HydrophobicContact CE2-CE 4.24Å; I157-M161 HydrophobicContact CG2-CE 3.71Å; I157-M161 HydrophobicContact CG2-CG 4.33Å; I157-M161 HydrophobicContact CG2-SD 3.95Å; I157-M161 WeakPolarHBondContact O-CB 3.42Å; I157-M161 VanDerWaalsContact O-CG 3.26Å; I157-M161 WeakPolarHBondContact O-CG 3.35Å; I157-M161 PolarHBondContact O-N 3.1Å; A158-M161 PolarHBondContact O-N 3.08Å; K159-M161 VanDerWaalsContact C-N 3.3Å; K159-M161 PolarHBondContact O-N 3.42Å
162	E	52.1	Low	46.6	Very low	146 Å²	146	98.6 Å²	98.6	68%	0.682	58%	0.583	S	S	*	*	H	α-helix	trans	-73.8	-41.3	175	-153.1	165.5	-148.1	0	0	111.2	A158 K159 R164 G165	A158-E162 PolarHBondContact O-N 3.26Å; A158-E162 VanDerWaalsContact O-N 3.07Å; K159-E162 PolarHBondContact O-N 3.49Å; E162-R164 VanDerWaalsContact C-N 3.31Å; E162-R164 PolarHBondContact O-N 3.09Å; E162-G165 PolarHBondContact O-N 2.9Å
163	E	52.6	Low	44.5	Very low	128 Å²	128	100.2 Å²	100.2	60%	0.598	61%	0.609	S	S	*	*	H	α-helix	trans	-69	-23.2	177.8	-71.5	168.9	-177.4	0	0	113.8	K159 G165	K159-E163 WeakPolarHBondContact O-CG 3.47Å; K159-E163 PolarHBondContact O-N 3.35Å; E163-G165 VanDerWaalsContact C-N 3.32Å
164	R	46.1	Very low	42.7	Very low	212 Å²	212	103 Å²	103	80%	0.8	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-0.5	176.9	-79.1	-179.6	148.1	129.4	-2.6	114.3	T160 E162	T160-R164 WeakPolarHBondContact O-CG 3.46Å; T160-R164 PolarHBondContact O-N 2.89Å; E162-R164 VanDerWaalsContact C-N 3.31Å; E162-R164 PolarHBondContact O-N 3.09Å
165	G	43.8	Very low	41.1	Very low	69 Å²	69	111.4 Å²	111.4	71%	0.711	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-5.2	-178.8	0	0	0	0	0	116	E162 E163	E162-G165 PolarHBondContact O-N 2.9Å; E163-G165 VanDerWaalsContact C-N 3.32Å
166	A	34.8	Very low	39.4	Very low	90 Å²	90	113.7 Å²	113.7	74%	0.744	68%	0.675	S	S	*	*			trans	-129.8	95.1	-174.5	0	0	0	0	0	111.7
167	G	29.2	Very low	37.7	Very low	87 Å²	87	112.8 Å²	112.8	90%	0.897	68%	0.679	S	S	*	*			trans	-102.3	130.7	166.5	0	0	0	0	0	111
168	G	27.9	Very low	36.1	Very low	80 Å²	80	120.8 Å²	120.8	83%	0.825	71%	0.705	S	S	*	*			trans	175.7	119.6	168.7	0	0	0	0	0	111.4
169	V	29.4	Very low	34.6	Very low	133 Å²	133	125.3 Å²	125.3	81%	0.806	74%	0.736	S	S	*	*			trans	-106.7	165.8	-171.7	179.2	0	0	0	0	110.6
170	D	27.1	Very low	33.3	Very low	163 Å²	163	129.2 Å²	129.2	87%	0.872	76%	0.756	S	S	*	*			trans	87.1	135.2	170.7	-67.8	-26.4	0	0	0	116.7
171	G	25.9	Very low	31.8	Very low	70 Å²	70	135 Å²	135	72%	0.722	78%	0.779	S	S	*	*			cis	-173.6	174.1	8	0	0	0	0	0	112.4
172	S	25.6	Very low	30.6	Very low	130 Å²	130	139 Å²	139	91%	0.909	80%	0.802	S	S	*	*			trans	-41	149.7	-179	43.7	0	0	0	0	120
173	G	25.1	Very low	29.3	Very low	80 Å²	80	135.4 Å²	135.4	83%	0.825	80%	0.804	S	S	*	*			trans	-175.7	92.8	160	0	0	0	0	0	113.3
174	V	26.4	Very low	28.2	Very low	138 Å²	138	138 Å²	138	84%	0.836	82%	0.816	S	S	*	*			trans	-77.5	138.9	165.3	173.5	0	0	0	0	108.9
175	K	24.6	Very low	27.4	Very low	207 Å²	207	134.6 Å²	134.6	90%	0.9	82%	0.819	S	S	*	*			trans	-162.9	142	146.3	-109.5	173.4	-171.8	-173.2	0	113.5
176	E	22.6	Very low	26.9	Very low	161 Å²	161	140.4 Å²	140.4	75%	0.752	83%	0.825	S	S	*	*			trans	-74.1	164	-170.3	-80.1	158.2	147.4	0	0	117.3
177	E	23	Very low	26.7	Very low	162 Å²	162	139.2 Å²	139.2	76%	0.757	82%	0.821	S	S	*	*			trans	69.8	137.2	146.5	-79.4	176.6	-163.4	0	0	119.3
178	R	23.9	Very low	26.8	Very low	220 Å²	220	144.2 Å²	144.2	83%	0.83	82%	0.821	S	S	*	*				-165.6	143.6	50.3	-135.1	164.7	178.5	-157.1	-2.3	111.9
179	S	25.5	Very low	27	Very low	112 Å²	112	146.1 Å²	146.1	78%	0.783	82%	0.821	S	S	*	*			trans	-75.1	142.6	166.2	36.4	0	0	0	0	111.6
180	Q	26.7	Very low	27.4	Very low	191 Å²	191	143.8 Å²	143.8	89%	0.893	82%	0.816	S	S	*	*			trans	-146.5	112.6	160.4	-105.3	177	-9.8	0	0	109.7
181	E	25.4	Very low	27.9	Very low	176 Å²	176	140.7 Å²	140.7	82%	0.822	81%	0.813	S	S	*	*			trans	-77.5	142.6	164.2	-70.3	174	142.7	0	0	110.3
182	N	24.9	Very low	28.7	Very low	163 Å²	163	146.2 Å²	146.2	87%	0.872	82%	0.82	S	S	*	*				170	141.1	113.6	-93.8	-24.4	0	0	0	111.7
183	G	25.8	Very low	30.2	Very low	71 Å²	71	144.8 Å²	144.8	73%	0.732	80%	0.801	S	S	*	*			trans	151.4	67.8	159.7	0	0	0	0	0	115.1
184	E	27.5	Very low	32.3	Very low	183 Å²	183	148.5 Å²	148.5	86%	0.855	79%	0.794	S	S	*	*			trans	-62.6	131	164.1	-71.5	-174.5	140.6	0	0	111
185	V	30.6	Very low	35	Very low	140 Å²	140	151.6 Å²	151.6	85%	0.848	79%	0.791	S	S	*	*			trans	-131.1	111.4	157.7	-178.1	0	0	0	0	107.8	G187	V185-G187 PolarHBondContact O-N 2.72Å
186	K	34	Very low	37.9	Very low	192 Å²	192	143.1 Å²	143.1	84%	0.835	76%	0.755	S	S	*	*			trans	-68.5	112.7	174.4	-74.1	177.8	176	174.9	0	109.8
187	G	30	Very low	41.2	Very low	65 Å²	65	138.5 Å²	138.5	67%	0.67	74%	0.735	S	S	*	*			trans	-119.6	118.6	170.4	0	0	0	0	0	110.5	V185	V185-G187 PolarHBondContact O-N 2.72Å
188	H	31.9	Very low	44.4	Very low	192 Å²	192	132.9 Å²	132.9	89%	0.889	71%	0.71	S	S	*	*			trans	-14	121.5	170	-62.9	78.2	0	0	0	116.9	A190	H188-A190 PolarHBondContact O-N 2.58Å
189	S	31.7	Very low	47.7	Very low	120 Å²	120	129.1 Å²	129.1	84%	0.839	70%	0.702	S	S	*	*			trans	-65.6	96.5	174.9	59.1	0	0	0	0	111.4
190	A	38.2	Very low	50.9	Low	83 Å²	83	125.7 Å²	125.7	69%	0.686	68%	0.675	S	S	*	*			trans	-60.2	141.7	145.7	0	0	0	0	0	107.6	H188 E192	H188-A190 PolarHBondContact O-N 2.58Å; A190-E192 PolarHBondContact O-N 3.37Å
191	A	37.6	Very low	54.2	Low	99 Å²	99	116.9 Å²	116.9	82%	0.818	63%	0.634	S	S	*	*			trans	-46.7	117.7	177.5	0	0	0	0	0	109.7	I193	A191-I193 PolarHBondContact O-N 2.97Å
192	E	42.8	Very low	57.5	Low	185 Å²	185	113 Å²	113	86%	0.864	62%	0.618	S	S	*	*			trans	-63	108.4	-178.6	-74.9	-175.9	157.1	0	0	108.4	A190 K194	A190-E192 PolarHBondContact O-N 3.37Å; E192-K194 PolarHBondContact O-N 2.9Å
193	I	56.9	Low	60.9	Low	101 Å²	101	107.1 Å²	107.1	52%	0.518	59%	0.585	S	S	.	*			trans	-56.4	108.5	168.6	-62.6	173.6	0	0	0	106.5	A191 R195 F524	A191-I193 PolarHBondContact O-N 2.97Å; I193-R195 PolarHBondContact O-N 2.98Å; I193-F524 HydrophobicContact CG2-CB 3.54Å; I193-F524 HydrophobicContact CG2-CD2 4.47Å; I193-F524 HydrophobicContact CG2-CG 4.31Å
194	K	68.9	Low	64.2	Low	157 Å²	157	105.9 Å²	105.9	68%	0.683	56%	0.561	S	S	*	*			trans	-61.8	102.4	-177.8	-175.2	178.6	178.2	-175.8	0	108.7	E192 M196	E192-K194 PolarHBondContact O-N 2.9Å; K194-M196 PolarHBondContact O-N 3.28Å
195	R	81.6	Confident	67.4	Low	204 Å²	204	100.7 Å²	100.7	77%	0.77	54%	0.536	S	S	*	.			trans	-67.5	115.2	177.2	-68	-176.5	178.4	174.9	0.7	109.1	I193 F524	I193-R195 PolarHBondContact O-N 2.98Å; R195-F524 HydrophobicContact CB-CE2 4.17Å; R195-F524 HydrophobicContact CB-CZ 4.12Å; R195-F524 HydrophobicContact CG-CD2 4.33Å; R195-F524 HydrophobicContact CG-CE2 3.94Å; R195-F524 HydrophobicContact CG-CZ 4.39Å
196	M	86.8	Confident	70.4	Confident	29 Å²	29	94 Å²	94	14%	0.143	50%	0.495	C	S	.	.			trans	-84.4	150.3	173.7	-61.4	-160.9	-177.7	0	0	111.8	K194 D200 F201 L220 F266 F524	K194-M196 PolarHBondContact O-N 3.28Å; M196-D200 VanDerWaalsContact CA-OD2 3.3Å; M196-D200 WeakPolarHBondContact CA-OD2 3.44Å; M196-F201 HydrophobicContact CB-CE2 4.32Å; M196-F201 HydrophobicContact SD-CE2 4.34Å; M196-F201 HydrophobicContact SD-CZ 3.87Å; M196-L220 HydrophobicContact CE-CD1 4.42Å; M196-L220 HydrophobicContact CE-CD2 4.33Å; M196-L220 HydrophobicContact SD-CD1 4.22Å; M196-F266 HydrophobicContact CE-CE1 3.44Å; M196-F266 VanDerWaalsContact CE-CE1 3.44Å; M196-F266 HydrophobicContact CE-CZ 3.71Å; M196-F266 HydrophobicContact SD-CD1 4.44Å; M196-F266 HydrophobicContact SD-CE1 3.61Å; M196-F266 HydrophobicContact SD-CZ 4.47Å; M196-F524 HydrophobicContact CB-CD1 4.19Å; M196-F524 HydrophobicContact CB-CE1 3.9Å; M196-F524 HydrophobicContact CG-CD1 4.48Å; M196-F524 VanDerWaalsContact O-CE1 3.32Å; M196-F524 WeakPolarHBondContact O-CE1 3.42Å
197	N	91	Very high	73.1	Confident	63 Å²	63	85.5 Å²	85.5	34%	0.337	46%	0.459	S	S	.	.			trans	-144.1	178	178.9	68.4	78.9	0	0	0	111	H199 D200 F201	N197-H199 PolarHBondContact O-N 3.34Å; N197-H199 VanDerWaalsContact O-N 3.17Å; N197-H199 WeakPolarHBondContact OD1-CA 3.43Å; N197-H199 VanDerWaalsContact OD1-CB 3.28Å; N197-H199 WeakPolarHBondContact OD1-CB 3.24Å; N197-H199 PolarHBondContact OD1-CD2 3.15Å; N197-H199 PolarHBondContact OD1-N 3.18Å; N197-D200 PolarHBondContact N-OD2 3.4Å; N197-D200 PolarHBondContact ND2-OD2 2.92Å; N197-D200 VanDerWaalsContact ND2-OD2 3.09Å; N197-D200 WeakPolarHBondContact O-CB 3.41Å; N197-D200 PolarHBondContact O-N 2.87Å; N197-D200 VanDerWaalsContact O-N 3.1Å; N197-F201 WeakPolarHBondContact O-CD2 3.25Å
198	L	91.8	Very high	75.8	Confident	44 Å²	44	83 Å²	83	23%	0.23	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-56.4	-34.4	-176.5	-171.2	65.4	0	0	0	113.7	D200 F201 F203 F269 F276 L502	L198-D200 PolarHBondContact O-N 2.87Å; L198-F201 PolarHBondContact O-N 2.82Å; L198-F203 HydrophobicContact CD1-CE2 3.49Å; L198-F203 VanDerWaalsContact CD1-CE2 3.49Å; L198-F203 HydrophobicContact CD1-CZ 3.67Å; L198-F203 HydrophobicContact CG-CE2 4.46Å; L198-F269 HydrophobicContact CB-CE2 4.14Å; L198-F269 HydrophobicContact CD1-CE2 4.47Å; L198-F276 HydrophobicContact CD1-CD1 4.23Å; L198-F276 HydrophobicContact CD1-CE1 3.47Å; L198-F276 VanDerWaalsContact CD1-CE1 3.47Å; L198-F276 HydrophobicContact CD1-CZ 3.73Å; L198-L502 HydrophobicContact CD1-CD1 4.16Å; L198-L502 HydrophobicContact CD2-CD1 3.98Å
199	H	92.4	Very high	78.2	Confident	141 Å²	141	78.7 Å²	78.7	65%	0.653	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-75.2	-12.2	-176.8	-57.9	-65.5	0	0	0	113.4	N197 F201 K221	N197-H199 PolarHBondContact O-N 3.34Å; N197-H199 VanDerWaalsContact O-N 3.17Å; N197-H199 WeakPolarHBondContact OD1-CA 3.43Å; N197-H199 VanDerWaalsContact OD1-CB 3.28Å; N197-H199 WeakPolarHBondContact OD1-CB 3.24Å; N197-H199 PolarHBondContact OD1-CD2 3.15Å; N197-H199 PolarHBondContact OD1-N 3.18Å; H199-F201 VanDerWaalsContact C-N 3.25Å; H199-K221 VanDerWaalsContact O-CD 3.27Å; H199-K221 WeakPolarHBondContact O-CD 3.37Å; H199-K221 WeakPolarHBondContact O-CE 3.3Å; H199-K221 PolarHBondContact O-NZ 3.48Å
200	D	93.2	Very high	79.9	Confident	40 Å²	40	75.5 Å²	75.5	21%	0.214	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-77.9	-14.1	176	-59.5	-46.8	0	0	0	112.2	M196 N197 L198 L220 K221	M196-D200 VanDerWaalsContact CA-OD2 3.3Å; M196-D200 WeakPolarHBondContact CA-OD2 3.44Å; N197-D200 PolarHBondContact N-OD2 3.4Å; N197-D200 PolarHBondContact ND2-OD2 2.92Å; N197-D200 VanDerWaalsContact ND2-OD2 3.09Å; N197-D200 WeakPolarHBondContact O-CB 3.41Å; N197-D200 PolarHBondContact O-N 2.87Å; N197-D200 VanDerWaalsContact O-N 3.1Å; L198-D200 PolarHBondContact O-N 2.87Å; D200-L220 HydrophobicContact CB-CD1 4.15Å; D200-K221 WeakPolarHBondContact O-CB 3.33Å; D200-K221 WeakPolarHBondContact O-CG 3.24Å; D200-K221 PolarHBondContact O-N 2.7Å
201	F	95.1	Very high	81.1	Confident	7 Å²	7	76.1 Å²	76.1	3%	0.031	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	142.1	-175.4	-63.8	-83.8	0	0	0	112.3	M196 N197 L198 H199 A218 E219 L220 K221 F227 F269 V278	M196-F201 HydrophobicContact CB-CE2 4.32Å; M196-F201 HydrophobicContact SD-CE2 4.34Å; M196-F201 HydrophobicContact SD-CZ 3.87Å; N197-F201 WeakPolarHBondContact O-CD2 3.25Å; L198-F201 PolarHBondContact O-N 2.82Å; H199-F201 VanDerWaalsContact C-N 3.25Å; F201-A218 HydrophobicContact CB-CB 4.18Å; F201-A218 HydrophobicContact CD1-CB 4.21Å; F201-E219 CarbonylContact C-O 3.52Å; F201-E219 WeakPolarHBondContact CA-O 3.33Å; F201-L220 HydrophobicContact CE1-CB 4.48Å; F201-L220 HydrophobicContact CE1-CD1 4.22Å; F201-L220 HydrophobicContact CZ-CD1 4.37Å; F201-K221 WeakPolarHBondContact O-CE 3.11Å; F201-F227 HydrophobicContact CE1-CD2 4.09Å; F201-F269 HydrophobicContact CD2-CE1 4.07Å; F201-F269 HydrophobicContact CD2-CZ 4.17Å; F201-F269 AromaticContact CE2-CE1 3.63Å; F201-F269 HydrophobicContact CE2-CE1 3.63Å; F201-F269 HydrophobicContact CE2-CZ 4.19Å; F201-F269 HydrophobicContact CZ-CE1 4.5Å; F201-V278 HydrophobicContact CE1-CG1 3.83Å; F201-V278 HydrophobicContact CE1-CG2 4.37Å; F201-V278 HydrophobicContact CE2-CG2 4.15Å; F201-V278 HydrophobicContact CZ-CB 4.46Å; F201-V278 HydrophobicContact CZ-CG1 3.88Å; F201-V278 HydrophobicContact CZ-CG2 3.81Å
202	L	95.8	Very high	82.5	Confident	95 Å²	95	73.9 Å²	73.9	50%	0.497	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	110.5	166.8	176.5	65.9	0	0	0	108.4	A218 E219 K221	L202-A218 CarbonylContact O-C 3.54Å; L202-A218 VanDerWaalsContact O-CA 3.22Å; L202-A218 WeakPolarHBondContact O-CA 3.41Å; L202-E219 PolarHBondContact N-O 3.2Å; L202-E219 PolarHBondContact O-N 2.85Å; L202-K221 HydrophobicContact CB-CG 4.48Å
203	F	96	Very high	84.4	Confident	38 Å²	38	66 Å²	66	17%	0.167	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	127.5	176.8	-63.2	-78.7	0	0	0	111	L198 M216 A218 V229 F276 P500	L198-F203 HydrophobicContact CD1-CE2 3.49Å; L198-F203 VanDerWaalsContact CD1-CE2 3.49Å; L198-F203 HydrophobicContact CD1-CZ 3.67Å; L198-F203 HydrophobicContact CG-CE2 4.46Å; F203-M216 HydrophobicContact CD1-CB 3.75Å; F203-M216 HydrophobicContact CD1-CE 3.5Å; F203-M216 HydrophobicContact CD1-CG 4.49Å; F203-M216 HydrophobicContact CD1-SD 4.02Å; F203-M216 HydrophobicContact CE1-CB 4.31Å; F203-M216 HydrophobicContact CE1-CE 3.46Å; F203-M216 VanDerWaalsContact CE1-CE 3.46Å; F203-M216 HydrophobicContact CG-CE 4.06Å; F203-M216 HydrophobicContact CG-SD 4.35Å; F203-M216 HydrophobicContact CZ-CE 3.99Å; F203-A218 HydrophobicContact CD1-CB 3.78Å; F203-A218 HydrophobicContact CE1-CB 4.06Å; F203-A218 HydrophobicContact CG-CB 4.48Å; F203-V229 HydrophobicContact CE1-CB 3.96Å; F203-V229 HydrophobicContact CE1-CG1 4.03Å; F203-V229 HydrophobicContact CE1-CG2 4.21Å; F203-V229 HydrophobicContact CZ-CG1 4.49Å; F203-F276 HydrophobicContact CZ-CE1 4.44Å; F203-P500 HydrophobicContact CB-CB 4Å
204	I	94.7	Very high	86	Confident	45 Å²	45	63.2 Å²	63.2	23%	0.231	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-48.1	-171	-61.6	162.5	0	0	0	111.2	L217 E219 R486	I204-L217 HydrophobicContact CB-CD2 4.25Å; I204-L217 HydrophobicContact CB-CG 4.17Å; I204-L217 HydrophobicContact CD1-CD2 4.45Å; I204-L217 HydrophobicContact CD1-CG 4.23Å; I204-L217 HydrophobicContact CG2-CD2 4.19Å; I204-L217 PolarHBondContact N-O 3.26Å; I204-E219 HydrophobicContact CD1-CB 3.66Å; I204-R486 HydrophobicContact CD1-CG 4.39Å
205	K	95.2	Very high	87.2	Confident	75 Å²	75	57.6 Å²	57.6	33%	0.326	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	150.9	-175.4	-74.9	-60.2	-174.7	173.8	0	112.5	M216 L217 V488 T496	K205-M216 CarbonylContact O-C 3.56Å; K205-M216 WeakPolarHBondContact O-CA 3.36Å; K205-L217 HydrophobicContact CB-CB 4.28Å; K205-L217 PolarHBondContact N-O 2.89Å; K205-L217 PolarHBondContact O-N 3.34Å; K205-V488 HydrophobicContact CB-CG1 4.25Å; K205-V488 HydrophobicContact CG-CG1 4.26Å; K205-V488 HydrophobicContact CG-CG2 4.48Å; K205-T496 VanDerWaalsContact CD-O 3.29Å; K205-T496 WeakPolarHBondContact CD-O 3.49Å; K205-T496 PolarHBondContact NZ-O 2.92Å
206	V	93.6	Very high	87.8	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	127	164.4	-176.9	0	0	0	0	108.1	K214 M216 F495 T496 E498 P500	V206-K214 HydrophobicContact CG1-CD 4.36Å; V206-M216 HydrophobicContact CG2-CG 4.29Å; V206-F495 HydrophobicContact CG1-CB 4.4Å; V206-F495 CarbonylContact O-C 3.18Å; V206-T496 WeakPolarHBondContact O-CA 3.33Å; V206-T496 PolarHBondContact O-N 3.47Å; V206-E498 HydrophobicContact CB-CB 4.17Å; V206-E498 HydrophobicContact CG2-CB 3.91Å; V206-P500 HydrophobicContact CG2-CB 4.49Å
207	L	90.7	Very high	88.3	Confident	13 Å²	13	46.6 Å²	46.6	7%	0.068	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-30.3	180	-62.2	176.1	0	0	0	111.9	V215 L217 A228 Y281 V488 F491	L207-V215 HydrophobicContact CB-CB 4.49Å; L207-V215 HydrophobicContact CB-CG1 4.29Å; L207-V215 HydrophobicContact CD1-CG1 4.34Å; L207-V215 PolarHBondContact N-O 2.95Å; L207-L217 HydrophobicContact CD1-CB 3.95Å; L207-L217 HydrophobicContact CD2-CB 4.01Å; L207-L217 HydrophobicContact CG-CB 3.98Å; L207-A228 HydrophobicContact CD1-CB 4.27Å; L207-Y281 HydrophobicContact CD1-CD2 3.85Å; L207-Y281 HydrophobicContact CD1-CE2 3.52Å; L207-Y281 HydrophobicContact CD2-CE2 4.01Å; L207-Y281 HydrophobicContact CG-CE2 4.42Å; L207-V488 HydrophobicContact CD2-CG1 3.88Å; L207-F491 HydrophobicContact CB-CD1 3.99Å; L207-F491 HydrophobicContact CB-CE1 4Å; L207-F491 HydrophobicContact CD1-CE1 4.29Å; L207-F491 HydrophobicContact CD1-CZ 4.46Å; L207-F491 HydrophobicContact CD2-CD1 3.85Å; L207-F491 HydrophobicContact CD2-CD2 4.15Å; L207-F491 HydrophobicContact CD2-CE1 3.87Å; L207-F491 HydrophobicContact CD2-CE2 4.17Å; L207-F491 HydrophobicContact CD2-CG 3.99Å; L207-F491 HydrophobicContact CD2-CZ 4.02Å; L207-F491 HydrophobicContact CG-CD1 4.45Å; L207-F491 HydrophobicContact CG-CE1 4.27Å
208	G	87	Confident	88.6	Confident	13 Å²	13	43.6 Å²	43.6	13%	0.134	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	170.7	-179.3	0	0	0	0	0	113.2	K214 V215	G208-K214 WeakPolarHBondContact O-CA 3.47Å; G208-V215 PolarHBondContact N-O 2.95Å; G208-V215 PolarHBondContact O-N 3.11Å
209	K	80.9	Confident	88.8	Confident	100 Å²	100	42.9 Å²	42.9	44%	0.435	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	140.3	175.9	-74.4	-177.4	166	169.5	0	110.1	K214 F495 E498	K209-K214 HydrophobicContact CG-CD 4.49Å; K209-K214 HydrophobicContact CG-CG 4.18Å; K209-F495 HydrophobicContact CB-CE1 4.24Å; K209-F495 HydrophobicContact CG-CD1 4.39Å; K209-F495 HydrophobicContact CG-CE1 4.43Å; K209-E498 VanDerWaalsContact CE-CD 3.41Å; K209-E498 WeakPolarHBondContact CE-OE1 3.42Å; K209-E498 WeakPolarHBondContact CE-OE2 3.44Å; K209-E498 IonicContact NZ-OE1 2.8Å; K209-E498 PolarHBondContact NZ-OE1 3.42Å; K209-E498 IonicContact NZ-OE2 3.48Å; K209-E498 PolarHBondContact NZ-OE2 3.18Å
210	G	67.8	Low	88.9	Confident	54 Å²	54	37.1 Å²	37.1	56%	0.557	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.5	-176.5	172.8	0	0	0	0	0	111.5	F212 G213	G210-F212 VanDerWaalsContact C-N 3.29Å; G210-F212 PolarHBondContact O-N 3.24Å; G210-G213 PolarHBondContact N-O 3.05Å; G210-G213 PolarHBondContact O-N 3.43Å
211	S	62.9	Low	89	Confident	96 Å²	96	40.8 Å²	40.8	67%	0.671	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-44.5	177.8	46.1	0	0	0	0	112.7
212	F	68.3	Low	88.8	Confident	52 Å²	52	44.8 Å²	44.8	23%	0.228	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-7	-171.3	-53.4	-62.5	0	0	0	114.2	G210 L232 K233 V236 D240 D242	G210-F212 VanDerWaalsContact C-N 3.29Å; G210-F212 PolarHBondContact O-N 3.24Å; F212-L232 HydrophobicContact CB-CD2 3.84Å; F212-K233 PolarHBondContact O-N 3.24Å; F212-V236 HydrophobicContact CD1-CG1 4.07Å; F212-D240 HydrophobicContact CE1-CB 4.06Å; F212-D240 WeakPolarHBondContact CE1-OD2 3.2Å; F212-D242 HydrophobicContact CE1-CB 4.3Å; F212-D242 WeakPolarHBondContact CE1-OD2 3.29Å; F212-D242 HydrophobicContact CZ-CB 4.31Å; F212-D242 WeakPolarHBondContact CZ-OD2 3.48Å
213	G	82.2	Confident	88.6	Confident	19 Å²	19	42.7 Å²	42.7	20%	0.196	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.9	-158.8	-170.9	0	0	0	0	0	117.8	G210 V231	G210-G213 PolarHBondContact N-O 3.05Å; G210-G213 PolarHBondContact O-N 3.43Å; G213-V231 VanDerWaalsContact CA-O 3.22Å; G213-V231 WeakPolarHBondContact CA-O 3.49Å
214	K	90.3	Very high	88.4	Confident	43 Å²	43	45.8 Å²	45.8	19%	0.187	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	149.4	-177.9	-54.4	-162.2	-175.7	-169.6	0	110.6	V206 G208 K209 V231 E498	V206-K214 HydrophobicContact CG1-CD 4.36Å; G208-K214 WeakPolarHBondContact O-CA 3.47Å; K209-K214 HydrophobicContact CG-CD 4.49Å; K209-K214 HydrophobicContact CG-CG 4.18Å; K214-V231 PolarHBondContact N-O 3.47Å; K214-V231 VanDerWaalsContact N-O 3.11Å; K214-V231 PolarHBondContact O-N 3.36Å; K214-E498 IonicContact NZ-OE2 3.7Å; K214-E498 PolarHBondContact NZ-OE2 3.34Å; K214-E498 VanDerWaalsContact NZ-OE2 3.09Å
215	V	93.3	Very high	88.3	Confident	39 Å²	39	48.5 Å²	48.5	24%	0.236	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	128.7	166.9	-174.2	0	0	0	0	107.9	L207 G208 A228 V229 K230	L207-V215 HydrophobicContact CB-CB 4.49Å; L207-V215 HydrophobicContact CB-CG1 4.29Å; L207-V215 HydrophobicContact CD1-CG1 4.34Å; L207-V215 PolarHBondContact N-O 2.95Å; G208-V215 PolarHBondContact N-O 2.95Å; G208-V215 PolarHBondContact O-N 3.11Å; V215-A228 HydrophobicContact CG1-CB 4.25Å; V215-V229 WeakPolarHBondContact CA-O 3.35Å; V215-K230 HydrophobicContact CG2-CB 4.16Å; V215-K230 HydrophobicContact CG2-CG 4.21Å
216	M	95.9	Very high	88.4	Confident	1 Å²	1	46 Å²	46	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	139.2	-178.2	-61.9	-174	-71.6	0	0	111.2	F203 K205 V206 V229 V231 P500 L502	F203-M216 HydrophobicContact CD1-CB 3.75Å; F203-M216 HydrophobicContact CD1-CE 3.5Å; F203-M216 HydrophobicContact CD1-CG 4.49Å; F203-M216 HydrophobicContact CD1-SD 4.02Å; F203-M216 HydrophobicContact CE1-CB 4.31Å; F203-M216 HydrophobicContact CE1-CE 3.46Å; F203-M216 VanDerWaalsContact CE1-CE 3.46Å; F203-M216 HydrophobicContact CG-CE 4.06Å; F203-M216 HydrophobicContact CG-SD 4.35Å; F203-M216 HydrophobicContact CZ-CE 3.99Å; K205-M216 CarbonylContact O-C 3.56Å; K205-M216 WeakPolarHBondContact O-CA 3.36Å; V206-M216 HydrophobicContact CG2-CG 4.29Å; M216-V229 PolarHBondContact N-O 3.43Å; M216-V229 PolarHBondContact O-N 3.49Å; M216-V231 HydrophobicContact CE-CB 4.43Å; M216-V231 HydrophobicContact CE-CG2 3.54Å; M216-P500 HydrophobicContact SD-CB 4.34Å; M216-L502 HydrophobicContact CE-CD2 3.48Å; M216-L502 VanDerWaalsContact CE-CD2 3.48Å; M216-L502 HydrophobicContact CE-CG 4.48Å
217	L	96.6	Very high	88.5	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	127.6	165.2	178.1	59.8	0	0	0	108.4	I204 K205 L207 V226 F227 Y281 V488	I204-L217 HydrophobicContact CB-CD2 4.25Å; I204-L217 HydrophobicContact CB-CG 4.17Å; I204-L217 HydrophobicContact CD1-CD2 4.45Å; I204-L217 HydrophobicContact CD1-CG 4.23Å; I204-L217 HydrophobicContact CG2-CD2 4.19Å; I204-L217 PolarHBondContact N-O 3.26Å; K205-L217 HydrophobicContact CB-CB 4.28Å; K205-L217 PolarHBondContact N-O 2.89Å; K205-L217 PolarHBondContact O-N 3.34Å; L207-L217 HydrophobicContact CD1-CB 3.95Å; L207-L217 HydrophobicContact CD2-CB 4.01Å; L207-L217 HydrophobicContact CG-CB 3.98Å; L217-V226 HydrophobicContact CD1-CB 4.03Å; L217-F227 WeakPolarHBondContact CA-O 3.3Å; L217-Y281 HydrophobicContact CD1-CD1 3.62Å; L217-Y281 HydrophobicContact CD1-CD2 3.83Å; L217-Y281 HydrophobicContact CD1-CE1 3.68Å; L217-Y281 HydrophobicContact CD1-CE2 3.93Å; L217-Y281 HydrophobicContact CD1-CG 3.68Å; L217-Y281 HydrophobicContact CD2-CE1 4.33Å; L217-V488 HydrophobicContact CD2-CG1 3.86Å
218	A	97.3	Very high	88.8	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	151.5	175.3	0	0	0	0	0	111.4	F201 L202 F203 V226 F227 V229	F201-A218 HydrophobicContact CB-CB 4.18Å; F201-A218 HydrophobicContact CD1-CB 4.21Å; L202-A218 CarbonylContact O-C 3.54Å; L202-A218 VanDerWaalsContact O-CA 3.22Å; L202-A218 WeakPolarHBondContact O-CA 3.41Å; F203-A218 HydrophobicContact CD1-CB 3.78Å; F203-A218 HydrophobicContact CE1-CB 4.06Å; F203-A218 HydrophobicContact CG-CB 4.48Å; A218-V226 CarbonylContact O-C 3.51Å; A218-V226 VanDerWaalsContact O-CA 3.3Å; A218-V226 WeakPolarHBondContact O-CA 3.11Å; A218-F227 PolarHBondContact N-O 2.55Å; A218-F227 PolarHBondContact O-N 3.06Å; A218-V229 HydrophobicContact CB-CG2 3.66Å
219	E	96.2	Very high	89.2	Confident	30 Å²	30	46 Å²	46	14%	0.14	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	136.6	173.6	174.9	174.3	163.5	0	0	109.9	F201 L202 I204 K221 E225 V226 R486	F201-E219 CarbonylContact C-O 3.52Å; F201-E219 WeakPolarHBondContact CA-O 3.33Å; L202-E219 PolarHBondContact N-O 3.2Å; L202-E219 PolarHBondContact O-N 2.85Å; I204-E219 HydrophobicContact CD1-CB 3.66Å; E219-K221 PolarHBondContact O-N 2.91Å; E219-E225 WeakPolarHBondContact CA-O 3.45Å; E219-V226 HydrophobicContact CB-CG1 4.31Å; E219-R486 IonicContact OE1-CZ 3.83Å; E219-R486 IonicContact OE1-NH2 2.91Å; E219-R486 PolarHBondContact OE1-NH2 3.41Å; E219-R486 IonicContact OE2-CZ 3.22Å; E219-R486 VanDerWaalsContact OE2-CZ 3.22Å; E219-R486 IonicContact OE2-NE 2.73Å; E219-R486 PolarHBondContact OE2-NE 3.14Å; E219-R486 IonicContact OE2-NH2 2.83Å; E219-R486 PolarHBondContact OE2-NH2 2.89Å
220	L	94.8	Very high	89.9	Confident	19 Å²	19	42.5 Å²	42.5	10%	0.099	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	118.5	175.4	176.1	67.3	0	0	0	109.1	M196 D200 F201 G222 T223 E225 F227	M196-L220 HydrophobicContact CE-CD1 4.42Å; M196-L220 HydrophobicContact CE-CD2 4.33Å; M196-L220 HydrophobicContact SD-CD1 4.22Å; D200-L220 HydrophobicContact CB-CD1 4.15Å; F201-L220 HydrophobicContact CE1-CB 4.48Å; F201-L220 HydrophobicContact CE1-CD1 4.22Å; F201-L220 HydrophobicContact CZ-CD1 4.37Å; L220-G222 PolarHBondContact O-N 3.27Å; L220-T223 WeakPolarHBondContact CB-OG1 3.3Å; L220-T223 HydrophobicContact CD2-CG2 4.02Å; L220-T223 HydrophobicContact CG-CG2 4.22Å; L220-T223 PolarHBondContact O-N 2.67Å; L220-T223 PolarHBondContact O-OG1 3.46Å; L220-E225 PolarHBondContact N-O 3.38Å; L220-F227 HydrophobicContact CB-CD2 4.35Å; L220-F227 HydrophobicContact CB-CE2 3.84Å; L220-F227 HydrophobicContact CD2-CE2 4.45Å
221	K	94.4	Very high	91.2	Very high	118 Å²	118	40 Å²	40	51%	0.513	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	134.4	-174.4	-71.3	-179.1	-173.3	172	0	111.6	H199 D200 F201 L202 E219 T223	H199-K221 VanDerWaalsContact O-CD 3.27Å; H199-K221 WeakPolarHBondContact O-CD 3.37Å; H199-K221 WeakPolarHBondContact O-CE 3.3Å; H199-K221 PolarHBondContact O-NZ 3.48Å; D200-K221 WeakPolarHBondContact O-CB 3.33Å; D200-K221 WeakPolarHBondContact O-CG 3.24Å; D200-K221 PolarHBondContact O-N 2.7Å; F201-K221 WeakPolarHBondContact O-CE 3.11Å; L202-K221 HydrophobicContact CB-CG 4.48Å; E219-K221 PolarHBondContact O-N 2.91Å; K221-T223 VanDerWaalsContact C-N 3.29Å
222	G	91.8	Very high	92.7	Very high	90 Å²	90	35.6 Å²	35.6	93%	0.928	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.2	4.9	-177.5	0	0	0	0	0	114.1	L220	L220-G222 PolarHBondContact O-N 3.27Å
223	T	91.8	Very high	94	Very high	52 Å²	52	35.8 Å²	35.8	32%	0.319	21%	0.206	S	C	.	.	S	Bend	trans	-132.9	169.4	175.1	76.5	0	0	0	0	110.3	L220 K221 E225	L220-T223 WeakPolarHBondContact CB-OG1 3.3Å; L220-T223 HydrophobicContact CD2-CG2 4.02Å; L220-T223 HydrophobicContact CG-CG2 4.22Å; L220-T223 PolarHBondContact O-N 2.67Å; L220-T223 PolarHBondContact O-OG1 3.46Å; K221-T223 VanDerWaalsContact C-N 3.29Å; T223-E225 VanDerWaalsContact C-N 3.34Å; T223-E225 PolarHBondContact OG1-N 3.32Å
224	D	90.4	Very high	94.6	Very high	102 Å²	102	34.9 Å²	34.9	55%	0.545	20%	0.197	S	C	.	.	S	Bend	trans	-97.2	17.5	168.4	-88.1	-44.7	0	0	0	112.2	R486	D224-R486 IonicContact OD1-CZ 3.76Å; D224-R486 IonicContact OD1-NH1 3.79Å; D224-R486 IonicContact OD1-NH2 3.95Å; D224-R486 PolarHBondContact OD1-NH2 3.1Å
225	E	93.6	Very high	94.6	Very high	102 Å²	102	34.4 Å²	34.4	48%	0.477	20%	0.196	S	C	.	.			trans	-84.9	134.5	-179.4	-62	-167.4	145.6	0	0	111.2	E219 L220 T223 F227	E219-E225 WeakPolarHBondContact CA-O 3.45Å; L220-E225 PolarHBondContact N-O 3.38Å; T223-E225 VanDerWaalsContact C-N 3.34Å; T223-E225 PolarHBondContact OG1-N 3.32Å; E225-F227 HydrophobicContact CB-CE2 3.77Å; E225-F227 HydrophobicContact CB-CZ 4.1Å
226	V	95.8	Very high	94.4	Very high	23 Å²	23	34.1 Å²	34.1	14%	0.139	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	144.3	-176	-68	0	0	0	0	111	L217 A218 E219 Y281 K485 R486	L217-V226 HydrophobicContact CD1-CB 4.03Å; A218-V226 CarbonylContact O-C 3.51Å; A218-V226 VanDerWaalsContact O-CA 3.3Å; A218-V226 WeakPolarHBondContact O-CA 3.11Å; E219-V226 HydrophobicContact CB-CG1 4.31Å; V226-Y281 HydrophobicContact CB-CD1 4.43Å; V226-Y281 HydrophobicContact CG2-CD1 3.82Å; V226-Y281 HydrophobicContact CG2-CG 4.49Å; V226-K485 HydrophobicContact CG2-CB 4.19Å; V226-R486 HydrophobicContact CG1-CG 3.92Å
227	F	96.5	Very high	94.1	Very high	16 Å²	16	34 Å²	34	7%	0.07	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	152.3	-172.6	-61.6	-84.2	0	0	0	110.9	F201 L217 A218 L220 E225 V229 F266 V278 M279	F201-F227 HydrophobicContact CE1-CD2 4.09Å; L217-F227 WeakPolarHBondContact CA-O 3.3Å; A218-F227 PolarHBondContact N-O 2.55Å; A218-F227 PolarHBondContact O-N 3.06Å; L220-F227 HydrophobicContact CB-CD2 4.35Å; L220-F227 HydrophobicContact CB-CE2 3.84Å; L220-F227 HydrophobicContact CD2-CE2 4.45Å; E225-F227 HydrophobicContact CB-CE2 3.77Å; E225-F227 HydrophobicContact CB-CZ 4.1Å; F227-V229 HydrophobicContact CB-CG2 4.47Å; F227-F266 HydrophobicContact CD1-CB 4.1Å; F227-F266 HydrophobicContact CD1-CD1 4.36Å; F227-F266 HydrophobicContact CD1-CG 4.21Å; F227-F266 HydrophobicContact CE1-CB 3.87Å; F227-F266 AromaticContact CE1-CD1 3.81Å; F227-F266 HydrophobicContact CE1-CD1 3.81Å; F227-F266 AromaticContact CE1-CD2 3.84Å; F227-F266 HydrophobicContact CE1-CD2 3.84Å; F227-F266 HydrophobicContact CE1-CE1 4.25Å; F227-F266 HydrophobicContact CE1-CE2 4.31Å; F227-F266 AromaticContact CE1-CG 3.57Å; F227-F266 HydrophobicContact CE1-CG 3.57Å; F227-F266 HydrophobicContact CE1-CZ 4.5Å; F227-F266 HydrophobicContact CZ-CD1 4.09Å; F227-F266 HydrophobicContact CZ-CD2 4.29Å; F227-F266 HydrophobicContact CZ-CE1 4.07Å; F227-F266 HydrophobicContact CZ-CE2 4.3Å; F227-F266 HydrophobicContact CZ-CG 4.19Å; F227-F266 HydrophobicContact CZ-CZ 4.19Å; F227-V278 HydrophobicContact CB-CG1 3.66Å; F227-V278 HydrophobicContact CD1-CG1 3.78Å; F227-V278 HydrophobicContact CD2-CG1 4.4Å; F227-V278 HydrophobicContact CG-CG1 3.68Å; F227-M279 WeakPolarHBondContact CA-O 3.3Å; F227-M279 WeakPolarHBondContact CB-O 3.27Å
228	A	96.4	Very high	93.6	Very high	10 Å²	10	36.6 Å²	36.6	8%	0.083	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	116.7	165	0	0	0	0	0	108.7	L207 V215 M279 Y281	L207-A228 HydrophobicContact CD1-CB 4.27Å; V215-A228 HydrophobicContact CG1-CB 4.25Å; A228-M279 PolarHBondContact N-O 3.27Å; A228-M279 WeakPolarHBondContact O-CB 3.49Å; A228-M279 PolarHBondContact O-N 3.13Å; A228-Y281 HydrophobicContact CB-CD2 4.32Å
229	V	96.7	Very high	93	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	108	-178.7	-172.8	0	0	0	0	109.6	F203 V215 M216 A218 F227 V231 F276 F277 V278	F203-V229 HydrophobicContact CE1-CB 3.96Å; F203-V229 HydrophobicContact CE1-CG1 4.03Å; F203-V229 HydrophobicContact CE1-CG2 4.21Å; F203-V229 HydrophobicContact CZ-CG1 4.49Å; V215-V229 WeakPolarHBondContact CA-O 3.35Å; M216-V229 PolarHBondContact N-O 3.43Å; M216-V229 PolarHBondContact O-N 3.49Å; A218-V229 HydrophobicContact CB-CG2 3.66Å; F227-V229 HydrophobicContact CB-CG2 4.47Å; V229-V231 HydrophobicContact CG1-CG2 3.92Å; V229-F276 HydrophobicContact CG1-CB 4.39Å; V229-F276 HydrophobicContact CG1-CD1 4Å; V229-F277 CarbonylContact C-O 3.53Å; V229-F277 VanDerWaalsContact CA-O 3.27Å; V229-F277 WeakPolarHBondContact CA-O 3.45Å; V229-V278 HydrophobicContact CG1-CG2 4.46Å; V229-V278 HydrophobicContact CG2-CG1 4.39Å; V229-V278 HydrophobicContact CG2-CG2 4.36Å
230	K	95.4	Very high	92.3	Very high	26 Å²	26	42.4 Å²	42.4	11%	0.113	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	117.8	171.4	-179.3	174.7	-179.7	-178.8	0	108.2	V215 L232 E249 F276 F277 M279 D343	V215-K230 HydrophobicContact CG2-CB 4.16Å; V215-K230 HydrophobicContact CG2-CG 4.21Å; K230-L232 HydrophobicContact CD-CD2 4.43Å; K230-L232 HydrophobicContact CG-CD2 3.89Å; K230-L232 HydrophobicContact CG-CG 4.44Å; K230-E249 IonicContact NZ-OE1 3.64Å; K230-E249 PolarHBondContact NZ-OE1 2.85Å; K230-E249 IonicContact NZ-OE2 3.55Å; K230-E249 PolarHBondContact NZ-OE2 3.38Å; K230-F276 WeakPolarHBondContact O-CA 3.36Å; K230-F277 HydrophobicContact CB-CB 4.23Å; K230-F277 PolarHBondContact N-O 3.33Å; K230-F277 PolarHBondContact O-N 3.19Å; K230-M279 HydrophobicContact CB-CE 3.65Å; K230-D343 IonicContact NZ-OD1 2.65Å; K230-D343 PolarHBondContact NZ-OD1 3.46Å
231	V	95.7	Very high	91.8	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	116	-176.5	-173.2	0	0	0	0	109.4	G213 K214 M216 V229 R274 L275 F276 L502	G213-V231 VanDerWaalsContact CA-O 3.22Å; G213-V231 WeakPolarHBondContact CA-O 3.49Å; K214-V231 PolarHBondContact N-O 3.47Å; K214-V231 VanDerWaalsContact N-O 3.11Å; K214-V231 PolarHBondContact O-N 3.36Å; M216-V231 HydrophobicContact CE-CB 4.43Å; M216-V231 HydrophobicContact CE-CG2 3.54Å; V229-V231 HydrophobicContact CG1-CG2 3.92Å; V231-R274 HydrophobicContact CG1-CB 4.31Å; V231-R274 HydrophobicContact CG1-CG 4.23Å; V231-L275 WeakPolarHBondContact CA-O 3.31Å; V231-F276 HydrophobicContact CB-CD1 4.34Å; V231-F276 HydrophobicContact CB-CE1 4.28Å; V231-F276 HydrophobicContact CG1-CD1 4.02Å; V231-F276 HydrophobicContact CG1-CE1 3.59Å; V231-F276 HydrophobicContact CG1-CZ 3.96Å; V231-F276 HydrophobicContact CG2-CD1 3.63Å; V231-F276 HydrophobicContact CG2-CE1 3.71Å; V231-L502 HydrophobicContact CB-CD2 4.42Å; V231-L502 HydrophobicContact CG1-CD2 3.83Å; V231-L502 HydrophobicContact CG2-CD2 4.32Å
232	L	94.4	Very high	91.5	Very high	4 Å²	4	43 Å²	43	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	143.6	-179.5	-48.5	-177.7	0	0	0	110.5	F212 K230 I237 T246 R274 L275 F277	F212-L232 HydrophobicContact CB-CD2 3.84Å; K230-L232 HydrophobicContact CD-CD2 4.43Å; K230-L232 HydrophobicContact CG-CD2 3.89Å; K230-L232 HydrophobicContact CG-CG 4.44Å; L232-I237 HydrophobicContact CB-CD1 3.75Å; L232-I237 HydrophobicContact CD1-CD1 4.15Å; L232-T246 HydrophobicContact CD1-CG2 4Å; L232-R274 CarbonylContact O-C 3.59Å; L232-R274 WeakPolarHBondContact O-CA 3.36Å; L232-R274 WeakPolarHBondContact O-CB 3.34Å; L232-L275 HydrophobicContact CB-CB 4.38Å; L232-L275 PolarHBondContact N-O 3.14Å; L232-L275 PolarHBondContact O-N 2.65Å; L232-F277 HydrophobicContact CD1-CD2 4.33Å; L232-F277 HydrophobicContact CD1-CE2 3.66Å; L232-F277 HydrophobicContact CG-CE2 4.35Å
233	K	93.9	Very high	91.4	Very high	55 Å²	55	39.3 Å²	39.3	24%	0.239	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	130.8	175	-55.3	-178	175.9	-179.8	0	110.7	F212 D235 V236 I237	F212-K233 PolarHBondContact O-N 3.24Å; K233-D235 WeakPolarHBondContact CB-OD1 3.34Å; K233-D235 PolarHBondContact O-N 3.38Å; K233-V236 HydrophobicContact CB-CB 4.28Å; K233-V236 HydrophobicContact CB-CG2 3.89Å; K233-V236 HydrophobicContact CD-CG2 3.98Å; K233-V236 HydrophobicContact CG-CG2 4.5Å; K233-V236 PolarHBondContact O-N 3.49Å; K233-I237 WeakPolarHBondContact O-CG1 3.49Å; K233-I237 PolarHBondContact O-N 2.89Å; K233-I237 VanDerWaalsContact O-N 3.14Å
234	K	95.2	Very high	91.3	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	22%	0.222	C	C	.	.	H	α-helix	trans	-66.1	-36.8	-177.5	-76.8	179.7	169.7	178.3	0	112.9	I237 L238 T271 D273 L275 I513 F518	K234-I237 PolarHBondContact O-N 3.39Å; K234-L238 WeakPolarHBondContact O-CB 2.92Å; K234-L238 VanDerWaalsContact O-CG 3.3Å; K234-L238 WeakPolarHBondContact O-CG 3.11Å; K234-L238 PolarHBondContact O-N 3.38Å; K234-T271 WeakPolarHBondContact CE-O 3.41Å; K234-T271 PolarHBondContact NZ-O 3.1Å; K234-D273 WeakPolarHBondContact CB-O 3.49Å; K234-D273 PolarHBondContact N-O 3.33Å; K234-L275 HydrophobicContact CD-CD2 4.45Å; K234-L275 VanDerWaalsContact CE-CD2 3.42Å; K234-L275 HydrophobicContact CG-CD2 4.2Å; K234-L275 HydrophobicContact CG-CG 4.08Å; K234-I513 HydrophobicContact CB-CD1 3.99Å; K234-I513 HydrophobicContact CB-CG2 3.86Å; K234-I513 HydrophobicContact CD-CG2 4Å; K234-F518 HydrophobicContact CB-CD2 4.43Å; K234-F518 HydrophobicContact CB-CE2 3.72Å; K234-F518 HydrophobicContact CB-CZ 3.92Å; K234-F518 HydrophobicContact CD-CD2 3.69Å; K234-F518 HydrophobicContact CD-CE2 3.84Å; K234-F518 HydrophobicContact CD-CG 4.28Å; K234-F518 HydrophobicContact CG-CD2 3.89Å; K234-F518 HydrophobicContact CG-CE1 4.34Å; K234-F518 HydrophobicContact CG-CE2 3.63Å; K234-F518 HydrophobicContact CG-CG 4.34Å; K234-F518 HydrophobicContact CG-CZ 3.86Å
235	D	91.1	Very high	91.3	Very high	33 Å²	33	40.7 Å²	40.7	18%	0.176	21%	0.214	C	C	.	.	H	α-helix	trans	-63.3	-41	177.2	63	-37.5	0	0	0	112	K233 L238 Q239 I509 I513	K233-D235 WeakPolarHBondContact CB-OD1 3.34Å; K233-D235 PolarHBondContact O-N 3.38Å; D235-L238 PolarHBondContact O-N 3.16Å; D235-Q239 VanDerWaalsContact O-CB 3.25Å; D235-Q239 WeakPolarHBondContact O-CB 3.47Å; D235-Q239 PolarHBondContact O-N 2.85Å; D235-I509 HydrophobicContact CB-CG2 3.49Å; D235-I509 VanDerWaalsContact CB-CG2 3.49Å; D235-I513 HydrophobicContact CB-CD1 4.27Å; D235-I513 HydrophobicContact CB-CG1 4.38Å
236	V	89.4	Confident	91.2	Very high	32 Å²	32	36.1 Å²	36.1	19%	0.194	19%	0.193	C	C	.	.	H	α-helix	trans	-66	-45.8	175.9	-176.3	0	0	0	0	110.7	F212 K233 L238 Q239 D240	F212-V236 HydrophobicContact CD1-CG1 4.07Å; K233-V236 HydrophobicContact CB-CB 4.28Å; K233-V236 HydrophobicContact CB-CG2 3.89Å; K233-V236 HydrophobicContact CD-CG2 3.98Å; K233-V236 HydrophobicContact CG-CG2 4.5Å; K233-V236 PolarHBondContact O-N 3.49Å; V236-L238 VanDerWaalsContact C-N 3.34Å; V236-L238 PolarHBondContact O-N 3.5Å; V236-Q239 PolarHBondContact O-N 3.05Å; V236-D240 PolarHBondContact O-N 2.9Å
237	I	88.8	Confident	91.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.3	-44.3	177.4	-64.7	162.1	0	0	0	111.5	L232 K233 K234 D240 D241 D242 V243 T246 L275 F518	L232-I237 HydrophobicContact CB-CD1 3.75Å; L232-I237 HydrophobicContact CD1-CD1 4.15Å; K233-I237 WeakPolarHBondContact O-CG1 3.49Å; K233-I237 PolarHBondContact O-N 2.89Å; K233-I237 VanDerWaalsContact O-N 3.14Å; K234-I237 PolarHBondContact O-N 3.39Å; I237-D240 PolarHBondContact O-N 3.44Å; I237-D241 PolarHBondContact O-N 3Å; I237-D241 VanDerWaalsContact O-N 3.1Å; I237-D242 VanDerWaalsContact CG2-C 3.48Å; I237-D242 HydrophobicContact CG2-CB 4.22Å; I237-D242 PolarHBondContact O-N 2.91Å; I237-V243 HydrophobicContact CG2-CB 4.47Å; I237-V243 HydrophobicContact CG2-CG2 3.94Å; I237-T246 HydrophobicContact CD1-CG2 4.22Å; I237-L275 HydrophobicContact CD1-CD1 3.63Å; I237-L275 HydrophobicContact CD1-CG 4.33Å; I237-F518 HydrophobicContact CB-CE1 4.37Å; I237-F518 HydrophobicContact CB-CZ 4.26Å; I237-F518 HydrophobicContact CD1-CE1 4.26Å; I237-F518 HydrophobicContact CG2-CE1 3.95Å; I237-F518 HydrophobicContact CG2-CZ 4.15Å
238	L	86.6	Confident	90.9	Very high	54 Å²	54	36.2 Å²	36.2	28%	0.283	19%	0.194	S	C	.	.	H	α-helix	trans	-67.3	-37	177.6	-71.4	172.8	0	0	0	112.4	K234 D235 V236 D240 D241 V243 I513 E517 F518	K234-L238 WeakPolarHBondContact O-CB 2.92Å; K234-L238 VanDerWaalsContact O-CG 3.3Å; K234-L238 WeakPolarHBondContact O-CG 3.11Å; K234-L238 PolarHBondContact O-N 3.38Å; D235-L238 PolarHBondContact O-N 3.16Å; V236-L238 VanDerWaalsContact C-N 3.34Å; V236-L238 PolarHBondContact O-N 3.5Å; L238-D240 VanDerWaalsContact C-N 3.27Å; L238-D240 PolarHBondContact O-N 3.21Å; L238-D241 PolarHBondContact O-N 3.37Å; L238-V243 HydrophobicContact CD2-CG2 3.7Å; L238-I513 HydrophobicContact CD1-CB 4.29Å; L238-I513 HydrophobicContact CD1-CG1 4.45Å; L238-I513 HydrophobicContact CD1-CG2 3.8Å; L238-E517 HydrophobicContact CD2-CB 4.16Å; L238-E517 HydrophobicContact CD2-CG 3.88Å; L238-F518 HydrophobicContact CD1-CE2 4.11Å; L238-F518 HydrophobicContact CD2-CE2 4.13Å; L238-F518 HydrophobicContact CD2-CZ 4.11Å; L238-F518 HydrophobicContact CG-CE2 3.98Å; L238-F518 HydrophobicContact CG-CZ 3.94Å
239	Q	84.3	Confident	90.8	Very high	90 Å²	90	36.1 Å²	36.1	42%	0.421	19%	0.192	S	C	.	.	H	α-helix	trans	-64.6	-35.4	178.2	174.9	172.3	-9.1	0	0	112	D44 D235 V236	D44-Q239 PolarHBondContact OD2-NE2 3.37Å; D235-Q239 VanDerWaalsContact O-CB 3.25Å; D235-Q239 WeakPolarHBondContact O-CB 3.47Å; D235-Q239 PolarHBondContact O-N 2.85Å; V236-Q239 PolarHBondContact O-N 3.05Å
240	D	81.9	Confident	90.6	Very high	61 Å²	61	37.7 Å²	37.7	33%	0.326	20%	0.199	S	C	.	.	H	α-helix	trans	-94.4	0.1	-177	-64.1	-17.7	0	0	0	113.1	F212 V236 I237 L238 D242	F212-D240 HydrophobicContact CE1-CB 4.06Å; F212-D240 WeakPolarHBondContact CE1-OD2 3.2Å; V236-D240 PolarHBondContact O-N 2.9Å; I237-D240 PolarHBondContact O-N 3.44Å; L238-D240 VanDerWaalsContact C-N 3.27Å; L238-D240 PolarHBondContact O-N 3.21Å; D240-D242 VanDerWaalsContact C-N 3.27Å; D240-D242 PolarHBondContact O-N 3.19Å
241	D	84.2	Confident	90.6	Very high	111 Å²	111	41.1 Å²	41.1	59%	0.594	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	30.6	-179.1	-156.3	30.4	0	0	0	113.7	W47 I237 L238	W47-D241 HydrophobicContact CH2-CB 3.96Å; W47-D241 HydrophobicContact CZ3-CB 3.69Å; I237-D241 PolarHBondContact O-N 3Å; I237-D241 VanDerWaalsContact O-N 3.1Å; L238-D241 PolarHBondContact O-N 3.37Å
242	D	87.9	Confident	90.6	Very high	38 Å²	38	41 Å²	41	20%	0.203	21%	0.21	C	C	.	.			trans	-100.6	20.4	-171.2	-84.2	-46.7	0	0	0	114	F212 I237 D240 D244 C245 T246	F212-D242 HydrophobicContact CE1-CB 4.3Å; F212-D242 WeakPolarHBondContact CE1-OD2 3.29Å; F212-D242 HydrophobicContact CZ-CB 4.31Å; F212-D242 WeakPolarHBondContact CZ-OD2 3.48Å; I237-D242 VanDerWaalsContact CG2-C 3.48Å; I237-D242 HydrophobicContact CG2-CB 4.22Å; I237-D242 PolarHBondContact O-N 2.91Å; D240-D242 VanDerWaalsContact C-N 3.27Å; D240-D242 PolarHBondContact O-N 3.19Å; D242-D244 PolarHBondContact O-N 3.25Å; D242-C245 HydrophobicContact CB-CB 4.34Å; D242-C245 PolarHBondContact O-N 2.85Å; D242-C245 PolarHBondContact OD1-SG 3.25Å; D242-T246 WeakPolarHBondContact O-CB 3.47Å; D242-T246 PolarHBondContact O-N 2.86Å; D242-T246 PolarHBondContact O-OG1 3.47Å
243	V	90.4	Very high	90.5	Very high	13 Å²	13	40.9 Å²	40.9	8%	0.079	21%	0.209	C	C	.	.	H	α-helix	trans	-60.1	-48.6	179.1	178.2	0	0	0	0	110.4	I237 L238 C245 T246 M247 E517 F518	I237-V243 HydrophobicContact CG2-CB 4.47Å; I237-V243 HydrophobicContact CG2-CG2 3.94Å; L238-V243 HydrophobicContact CD2-CG2 3.7Å; V243-C245 PolarHBondContact O-N 3.49Å; V243-T246 PolarHBondContact O-N 3.13Å; V243-M247 HydrophobicContact CG1-CG 4.46Å; V243-M247 WeakPolarHBondContact O-CG 3.31Å; V243-M247 PolarHBondContact O-N 3.37Å; V243-E517 HydrophobicContact CG1-CB 4.15Å; V243-E517 WeakPolarHBondContact CG1-O 3.33Å; V243-E517 HydrophobicContact CG2-CB 4.35Å; V243-F518 HydrophobicContact CG1-CE1 4.38Å; V243-F518 HydrophobicContact CG2-CE1 4.15Å; V243-F518 HydrophobicContact CG2-CZ 4.16Å
244	D	89.2	Confident	90.5	Very high	126 Å²	126	39.7 Å²	39.7	67%	0.674	21%	0.21	S	C	*	.	H	α-helix	trans	-64.9	-41.4	-179.7	-79.9	-22.2	0	0	0	112	D242 T246 M247 T248	D242-D244 PolarHBondContact O-N 3.25Å; D244-T246 VanDerWaalsContact C-N 3.33Å; D244-T246 PolarHBondContact O-N 3.18Å; D244-M247 PolarHBondContact O-N 2.92Å; D244-T248 VanDerWaalsContact O-CB 3.26Å; D244-T248 WeakPolarHBondContact O-CB 3.44Å; D244-T248 PolarHBondContact O-N 3.5Å; D244-T248 PolarHBondContact O-OG1 3.47Å
245	C	89.1	Confident	90.3	Very high	58 Å²	58	41.4 Å²	41.4	39%	0.392	22%	0.219	S	C	.	.	H	α-helix	trans	-58.3	-47	174.2	-61.5	0	0	0	0	110.5	D242 V243 M247 T248 E249	D242-C245 HydrophobicContact CB-CB 4.34Å; D242-C245 PolarHBondContact O-N 2.85Å; D242-C245 PolarHBondContact OD1-SG 3.25Å; V243-C245 PolarHBondContact O-N 3.49Å; C245-M247 PolarHBondContact O-N 2.8Å; C245-T248 WeakPolarHBondContact O-CB 3.22Å; C245-T248 PolarHBondContact O-N 2.97Å; C245-E249 PolarHBondContact O-N 3.28Å
246	T	92.5	Very high	90.3	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-64.3	-41.4	179.5	-57.6	0	0	0	0	112.4	L232 I237 D242 V243 D244 T248 E249 K250 L275 F277 F521	L232-T246 HydrophobicContact CD1-CG2 4Å; I237-T246 HydrophobicContact CD1-CG2 4.22Å; D242-T246 WeakPolarHBondContact O-CB 3.47Å; D242-T246 PolarHBondContact O-N 2.86Å; D242-T246 PolarHBondContact O-OG1 3.47Å; V243-T246 PolarHBondContact O-N 3.13Å; D244-T246 VanDerWaalsContact C-N 3.33Å; D244-T246 PolarHBondContact O-N 3.18Å; T246-T248 VanDerWaalsContact C-N 3.33Å; T246-E249 PolarHBondContact O-N 3.34Å; T246-K250 PolarHBondContact O-N 3.06Å; T246-K250 VanDerWaalsContact O-N 3.13Å; T246-L275 HydrophobicContact CG2-CD1 3.59Å; T246-F277 HydrophobicContact CG2-CE2 4.23Å; T246-F277 HydrophobicContact CG2-CZ 4.06Å; T246-F521 HydrophobicContact CG2-CE2 4.27Å
247	M	92.8	Very high	90.1	Very high	23 Å²	23	41.8 Å²	41.8	11%	0.113	21%	0.214	C	C	.	.	H	α-helix	trans	-70.7	-32.6	177.7	-68.9	-62.9	-81	0	0	111.9	V243 D244 C245 K250 R251 K519 F521	V243-M247 HydrophobicContact CG1-CG 4.46Å; V243-M247 WeakPolarHBondContact O-CG 3.31Å; V243-M247 PolarHBondContact O-N 3.37Å; D244-M247 PolarHBondContact O-N 2.92Å; C245-M247 PolarHBondContact O-N 2.8Å; M247-K250 WeakPolarHBondContact O-CB 3.13Å; M247-K250 PolarHBondContact O-N 3.13Å; M247-R251 WeakPolarHBondContact O-CG 3.38Å; M247-R251 PolarHBondContact O-N 2.93Å; M247-R251 PolarHBondContact O-NH1 3.25Å; M247-K519 WeakPolarHBondContact CE-O 3.32Å; M247-F521 HydrophobicContact SD-CB 4.2Å; M247-F521 HydrophobicContact SD-CD2 3.91Å
248	T	92.3	Very high	89.9	Confident	19 Å²	19	49.4 Å²	49.4	12%	0.117	25%	0.247	C	C	.	.	H	α-helix	trans	-66.1	-48	172.3	-58.1	0	0	0	0	110.8	D244 C245 T246 K250 R251 I252 E349	D244-T248 VanDerWaalsContact O-CB 3.26Å; D244-T248 WeakPolarHBondContact O-CB 3.44Å; D244-T248 PolarHBondContact O-N 3.5Å; D244-T248 PolarHBondContact O-OG1 3.47Å; C245-T248 WeakPolarHBondContact O-CB 3.22Å; C245-T248 PolarHBondContact O-N 2.97Å; T246-T248 VanDerWaalsContact C-N 3.33Å; T248-K250 PolarHBondContact O-N 3.32Å; T248-R251 PolarHBondContact O-N 2.66Å; T248-R251 PolarHBondContact OG1-NH2 2.97Å; T248-I252 HydrophobicContact CG2-CD1 3.61Å; T248-I252 HydrophobicContact CG2-CG1 4.32Å; T248-I252 WeakPolarHBondContact O-CG1 3.47Å; T248-I252 PolarHBondContact O-N 3.08Å; T248-E349 HydrophobicContact CG2-CB 4.4Å; T248-E349 HydrophobicContact CG2-CG 3.88Å
249	E	94	Very high	90.4	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.037	24%	0.238	C	C	.	.	H	α-helix	trans	-52.5	-45	174.3	179.3	172.4	-167.3	0	0	110.7	K230 C245 T246 R251 I252 L253 F277 F344	K230-E249 IonicContact NZ-OE1 3.64Å; K230-E249 PolarHBondContact NZ-OE1 2.85Å; K230-E249 IonicContact NZ-OE2 3.55Å; K230-E249 PolarHBondContact NZ-OE2 3.38Å; C245-E249 PolarHBondContact O-N 3.28Å; T246-E249 PolarHBondContact O-N 3.34Å; E249-R251 PolarHBondContact O-N 2.9Å; E249-I252 PolarHBondContact O-N 3.22Å; E249-L253 HydrophobicContact CG-CD1 3.86Å; E249-L253 HydrophobicContact CG-CG 4.42Å; E249-L253 VanDerWaalsContact O-CB 3.25Å; E249-L253 WeakPolarHBondContact O-CB 3.49Å; E249-L253 WeakPolarHBondContact O-CG 3.49Å; E249-L253 PolarHBondContact O-N 2.95Å; E249-F277 HydrophobicContact CG-CE1 4.42Å; E249-F277 HydrophobicContact CG-CZ 4.49Å; E249-F344 HydrophobicContact CG-CB 4.12Å
250	K	94.3	Very high	91	Very high	33 Å²	33	44.9 Å²	44.9	14%	0.143	23%	0.228	C	C	.	.	H	α-helix	trans	-58.4	-46.3	175.2	-167.1	-150.8	65.8	150.8	0	113.4	T246 M247 T248 A254 F277 G520 F521	T246-K250 PolarHBondContact O-N 3.06Å; T246-K250 VanDerWaalsContact O-N 3.13Å; M247-K250 WeakPolarHBondContact O-CB 3.13Å; M247-K250 PolarHBondContact O-N 3.13Å; T248-K250 PolarHBondContact O-N 3.32Å; K250-A254 WeakPolarHBondContact O-CB 3.36Å; K250-A254 PolarHBondContact O-N 3.02Å; K250-F277 HydrophobicContact CB-CE1 3.76Å; K250-F277 HydrophobicContact CB-CZ 4.31Å; K250-F277 HydrophobicContact CG-CE1 4.11Å; K250-G520 PolarHBondContact NZ-O 3.46Å; K250-F521 HydrophobicContact CD-CD2 4.33Å; K250-F521 WeakPolarHBondContact CD-O 3.23Å
251	R	94.8	Very high	91.8	Very high	97 Å²	97	42 Å²	42	37%	0.366	21%	0.213	S	C	.	.	H	α-helix	trans	-65	-42.9	-179.7	-72	-172.6	-63.9	-85	7.3	111.2	M247 T248 E249 A254 L255 E349	M247-R251 WeakPolarHBondContact O-CG 3.38Å; M247-R251 PolarHBondContact O-N 2.93Å; M247-R251 PolarHBondContact O-NH1 3.25Å; T248-R251 PolarHBondContact O-N 2.66Å; T248-R251 PolarHBondContact OG1-NH2 2.97Å; E249-R251 PolarHBondContact O-N 2.9Å; R251-A254 PolarHBondContact O-N 3.14Å; R251-L255 PolarHBondContact O-N 3.45Å; R251-E349 IonicContact CZ-OE1 3.54Å; R251-E349 IonicContact CZ-OE2 3.91Å; R251-E349 IonicContact NE-OE1 3.24Å; R251-E349 PolarHBondContact NE-OE1 3.47Å; R251-E349 IonicContact NE-OE2 3.07Å; R251-E349 PolarHBondContact NE-OE2 3.03Å; R251-E349 VanDerWaalsContact NE-OE2 3.13Å; R251-E349 IonicContact NH2-OE1 3.57Å; R251-E349 PolarHBondContact NH2-OE1 2.92Å; R251-E349 IonicContact NH2-OE2 3.73Å
252	I	94.8	Very high	92.4	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-67.4	-43.6	179.9	-65.2	170.6	0	0	0	110.8	T248 E249 A254 L255 A256 L316 V321 F344 C347	T248-I252 HydrophobicContact CG2-CD1 3.61Å; T248-I252 HydrophobicContact CG2-CG1 4.32Å; T248-I252 WeakPolarHBondContact O-CG1 3.47Å; T248-I252 PolarHBondContact O-N 3.08Å; E249-I252 PolarHBondContact O-N 3.22Å; I252-A254 VanDerWaalsContact C-N 3.3Å; I252-A254 PolarHBondContact O-N 3.27Å; I252-L255 WeakPolarHBondContact O-CB 3.25Å; I252-L255 PolarHBondContact O-N 3.03Å; I252-L255 VanDerWaalsContact O-N 3.14Å; I252-A256 VanDerWaalsContact O-CB 3.24Å; I252-A256 WeakPolarHBondContact O-CB 3.47Å; I252-A256 PolarHBondContact O-N 3.44Å; I252-L316 HydrophobicContact CG2-CD2 4.32Å; I252-V321 HydrophobicContact CD1-CG1 3.69Å; I252-V321 HydrophobicContact CD1-CG2 4.33Å; I252-V321 HydrophobicContact CG1-CG1 4.14Å; I252-V321 HydrophobicContact CG1-CG2 4.08Å; I252-V321 HydrophobicContact CG2-CG1 4.11Å; I252-F344 HydrophobicContact CG2-CB 4.08Å; I252-F344 HydrophobicContact CG2-CD1 3.5Å; I252-F344 HydrophobicContact CG2-CE1 4.2Å; I252-F344 HydrophobicContact CG2-CG 3.98Å; I252-C347 HydrophobicContact CD1-CB 3.32Å
253	L	93.8	Very high	92.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.3	-37.7	174.3	-87.8	172.9	0	0	0	112.8	E249 A256 L265 F277 M279 F344	E249-L253 HydrophobicContact CG-CD1 3.86Å; E249-L253 HydrophobicContact CG-CG 4.42Å; E249-L253 VanDerWaalsContact O-CB 3.25Å; E249-L253 WeakPolarHBondContact O-CB 3.49Å; E249-L253 WeakPolarHBondContact O-CG 3.49Å; E249-L253 PolarHBondContact O-N 2.95Å; L253-A256 PolarHBondContact O-N 3.15Å; L253-L265 HydrophobicContact CB-CB 4.01Å; L253-L265 HydrophobicContact CB-CD2 4.1Å; L253-L265 HydrophobicContact CB-CG 4.47Å; L253-L265 HydrophobicContact CD1-CD1 4.47Å; L253-F277 HydrophobicContact CD1-CD1 3.65Å; L253-F277 HydrophobicContact CD1-CE1 4Å; L253-F277 HydrophobicContact CD1-CG 4.47Å; L253-M279 HydrophobicContact CD1-SD 4.22Å; L253-M279 HydrophobicContact CD2-SD 4.32Å; L253-F344 HydrophobicContact CD2-CD2 3.41Å; L253-F344 VanDerWaalsContact CD2-CD2 3.41Å; L253-F344 HydrophobicContact CD2-CE2 3.59Å; L253-F344 HydrophobicContact CD2-CG 4.45Å; L253-F344 HydrophobicContact CG-CD2 3.81Å; L253-F344 HydrophobicContact CG-CE2 4.42Å; L253-F344 HydrophobicContact CG-CG 4.45Å
254	A	92.4	Very high	92.8	Very high	30 Å²	30	38.1 Å²	38.1	25%	0.248	19%	0.189	C	C	.	.	H	α-helix	trans	-67.6	-38.7	174.3	0	0	0	0	0	112.2	K250 R251 I252 L265	K250-A254 WeakPolarHBondContact O-CB 3.36Å; K250-A254 PolarHBondContact O-N 3.02Å; R251-A254 PolarHBondContact O-N 3.14Å; I252-A254 VanDerWaalsContact C-N 3.3Å; I252-A254 PolarHBondContact O-N 3.27Å; A254-L265 HydrophobicContact CB-CD2 4.41Å
255	L	92.5	Very high	93	Very high	37 Å²	37	32.2 Å²	32.2	19%	0.194	16%	0.157	C	C	.	.	H	α-helix	trans	-65.6	-43.7	173.3	171.2	66.7	0	0	0	112	R251 I252 R257 K258 F315 H319 V321	R251-L255 PolarHBondContact O-N 3.45Å; I252-L255 WeakPolarHBondContact O-CB 3.25Å; I252-L255 PolarHBondContact O-N 3.03Å; I252-L255 VanDerWaalsContact O-N 3.14Å; L255-R257 PolarHBondContact O-N 3Å; L255-R257 VanDerWaalsContact O-N 3.12Å; L255-K258 PolarHBondContact O-N 3.31Å; L255-F315 HydrophobicContact CD1-CZ 4.18Å; L255-F315 HydrophobicContact CG-CE1 4.17Å; L255-F315 HydrophobicContact CG-CZ 4.3Å; L255-H319 HydrophobicContact CD2-CB 3.56Å; L255-V321 HydrophobicContact CD2-CG2 4.3Å
256	A	90.1	Very high	93.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.4	-23.5	-175.6	0	0	0	0	0	113.7	I252 L253 K258 H259 L262 F344	I252-A256 VanDerWaalsContact O-CB 3.24Å; I252-A256 WeakPolarHBondContact O-CB 3.47Å; I252-A256 PolarHBondContact O-N 3.44Å; L253-A256 PolarHBondContact O-N 3.15Å; A256-K258 PolarHBondContact O-N 3.02Å; A256-H259 PolarHBondContact O-N 2.96Å; A256-L262 HydrophobicContact CB-CB 3.84Å; A256-L262 HydrophobicContact CB-CD1 3.7Å; A256-L262 HydrophobicContact CB-CG 4.4Å; A256-F344 HydrophobicContact CB-CZ 4.22Å
257	R	85.3	Confident	93.3	Very high	74 Å²	74	32.5 Å²	32.5	28%	0.279	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-21.4	175.4	-70.5	-177.8	67.4	137.8	-13.3	114.3	L255 Q264 L265 F266	L255-R257 PolarHBondContact O-N 3Å; L255-R257 VanDerWaalsContact O-N 3.12Å; R257-Q264 HydrophobicContact CG-CB 4.49Å; R257-L265 WeakPolarHBondContact CD-O 3.39Å; R257-L265 HydrophobicContact CG-CB 4.39Å; R257-L265 WeakPolarHBondContact CG-O 3.36Å; R257-L265 VanDerWaalsContact CZ-O 3.24Å; R257-L265 PolarHBondContact NE-O 2.79Å; R257-L265 PolarHBondContact NH1-O 3.35Å; R257-F266 PolarHBondContact NH1-O 3.44Å
258	K	85.7	Confident	93.4	Very high	159 Å²	159	31.4 Å²	31.4	69%	0.691	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-7.7	-178	-60.9	-179.4	-177.8	178.2	0	114.2	L255 A256 F315	L255-K258 PolarHBondContact O-N 3.31Å; A256-K258 PolarHBondContact O-N 3.02Å; K258-F315 HydrophobicContact CB-CE2 4.3Å; K258-F315 HydrophobicContact CB-CZ 4Å
259	H	96.3	Very high	93.6	Very high	17 Å²	17	30.8 Å²	30.8	8%	0.079	14%	0.142	C	C	.	.			trans	-117.6	133	-173.4	-160.4	-94.2	0	0	0	112.4	A256 Y261 L262 S311 F315	A256-H259 PolarHBondContact O-N 2.96Å; H259-Y261 VanDerWaalsContact C-N 3.29Å; H259-Y261 AromaticContact CE1-CD2 3.71Å; H259-Y261 PolarHBondContact ND1-N 3.36Å; H259-Y261 PolarHBondContact O-N 3.32Å; H259-L262 HydrophobicContact CB-CB 4.3Å; H259-L262 HydrophobicContact CB-CD1 3.79Å; H259-L262 HydrophobicContact CB-CG 3.91Å; H259-L262 PolarHBondContact O-N 2.85Å; H259-S311 PolarHBondContact CE1-OG 2.76Å; H259-S311 VanDerWaalsContact CE1-OG 3.32Å; H259-S311 PolarHBondContact NE2-OG 2.82Å; H259-F315 HydrophobicContact CB-CD1 3.96Å; H259-F315 HydrophobicContact CB-CD2 4.33Å; H259-F315 HydrophobicContact CB-CE1 4.12Å; H259-F315 HydrophobicContact CB-CE2 4.47Å; H259-F315 HydrophobicContact CB-CG 4.07Å; H259-F315 HydrophobicContact CB-CZ 4.38Å; H259-F315 AromaticContact CD2-CD2 3.69Å; H259-F315 AromaticContact CD2-CG 3.56Å; H259-F315 AromaticContact CG-CG 3.93Å
260	P	96.5	Very high	93.7	Very high	33 Å²	33	33 Å²	33	21%	0.214	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-34.1	-175.9	20.2	-31.9	0	0	0	114.2	K340 K472	P260-K340 WeakPolarHBondContact O-CD 3.5Å; P260-K340 WeakPolarHBondContact O-CE 3.35Å; P260-K340 PolarHBondContact O-NZ 3.03Å; P260-K472 HydrophobicContact CB-CD 3.68Å; P260-K472 HydrophobicContact CB-CG 3.69Å; P260-K472 HydrophobicContact CG-CG 4.43Å
261	Y	98.2	Very high	93.8	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	9.2	-173.5	-56.3	-54.1	0	0	0	114.4	H259 E308 H338 C339 K340 L341 L469 K472	H259-Y261 VanDerWaalsContact C-N 3.29Å; H259-Y261 AromaticContact CE1-CD2 3.71Å; H259-Y261 PolarHBondContact ND1-N 3.36Å; H259-Y261 PolarHBondContact O-N 3.32Å; Y261-E308 HydrophobicContact CD1-CB 3.98Å; Y261-E308 HydrophobicContact CD1-CG 4.1Å; Y261-E308 HydrophobicContact CD2-CB 4.14Å; Y261-E308 HydrophobicContact CD2-CG 4.47Å; Y261-E308 HydrophobicContact CE1-CB 4.08Å; Y261-E308 HydrophobicContact CE1-CG 3.68Å; Y261-E308 WeakPolarHBondContact CE1-OE1 3.49Å; Y261-E308 HydrophobicContact CE2-CB 4.26Å; Y261-E308 HydrophobicContact CE2-CG 4.11Å; Y261-E308 HydrophobicContact CG-CB 4.01Å; Y261-E308 HydrophobicContact CG-CG 4.48Å; Y261-E308 PolarHBondContact OH-OE1 2.89Å; Y261-H338 HydrophobicContact CE1-CB 4.15Å; Y261-H338 AromaticContact CE1-ND1 3.86Å; Y261-C339 WeakPolarHBondContact CA-O 3.28Å; Y261-C339 WeakPolarHBondContact CD1-O 3.34Å; Y261-K340 WeakPolarHBondContact O-CA 3.44Å; Y261-L341 PolarHBondContact O-N 3.04Å; Y261-L469 HydrophobicContact CE2-CG 4.21Å; Y261-L469 PolarHBondContact OH-O 2.88Å; Y261-K472 HydrophobicContact CE1-CD 4.4Å; Y261-K472 HydrophobicContact CE1-CG 3.9Å
262	L	97.4	Very high	93.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-108.7	147.5	171.6	-60.5	179.3	0	0	0	110	A256 H259 Q264 A312 F315 L316 K340 L341 F344	A256-L262 HydrophobicContact CB-CB 3.84Å; A256-L262 HydrophobicContact CB-CD1 3.7Å; A256-L262 HydrophobicContact CB-CG 4.4Å; H259-L262 HydrophobicContact CB-CB 4.3Å; H259-L262 HydrophobicContact CB-CD1 3.79Å; H259-L262 HydrophobicContact CB-CG 3.91Å; H259-L262 PolarHBondContact O-N 2.85Å; L262-Q264 PolarHBondContact O-N 2.76Å; L262-A312 HydrophobicContact CD2-CB 3.76Å; L262-A312 HydrophobicContact CG-CB 4.33Å; L262-F315 HydrophobicContact CD1-CD1 3.64Å; L262-F315 HydrophobicContact CD1-CE1 3.89Å; L262-L316 HydrophobicContact CD1-CD2 3.85Å; L262-L316 HydrophobicContact CD1-CG 4.18Å; L262-L316 HydrophobicContact CD2-CD1 4.27Å; L262-L316 HydrophobicContact CD2-CG 4.49Å; L262-K340 PolarHBondContact O-NZ 3.45Å; L262-L341 HydrophobicContact CD2-CB 3.82Å; L262-L341 HydrophobicContact CD2-CD1 3.9Å; L262-L341 HydrophobicContact CD2-CG 4.36Å; L262-F344 HydrophobicContact CB-CZ 4.22Å; L262-F344 HydrophobicContact CD2-CE1 4.09Å; L262-F344 HydrophobicContact CD2-CZ 4Å
263	T	95.1	Very high	93.8	Very high	6 Å²	6	37.6 Å²	37.6	4%	0.037	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-67.7	128.2	175.5	-55.6	0	0	0	0	110.2	M279 E280 L341 A342	T263-M279 HydrophobicContact CG2-CB 4.23Å; T263-E280 VanDerWaalsContact CA-OE1 3.32Å; T263-E280 WeakPolarHBondContact CA-OE1 3.39Å; T263-E280 HydrophobicContact CG2-CG 3.84Å; T263-L341 WeakPolarHBondContact CB-O 3.47Å; T263-L341 PolarHBondContact N-O 3.25Å; T263-L341 PolarHBondContact OG1-O 2.72Å; T263-A342 WeakPolarHBondContact OG1-CA 3.27Å
264	Q	91.8	Very high	93.9	Very high	74 Å²	74	38.1 Å²	38.1	35%	0.346	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-86.6	131.7	-176.4	-61.9	178.9	17.9	0	0	111.5	R257 L262 M279 E280	R257-Q264 HydrophobicContact CG-CB 4.49Å; L262-Q264 PolarHBondContact O-N 2.76Å; Q264-M279 CarbonylContact O-C 3.54Å; Q264-M279 VanDerWaalsContact O-CA 3.31Å; Q264-M279 WeakPolarHBondContact O-CA 3.46Å; Q264-E280 HydrophobicContact CB-CB 4.37Å; Q264-E280 HydrophobicContact CB-CG 4.16Å; Q264-E280 WeakPolarHBondContact CB-OE1 3.49Å; Q264-E280 WeakPolarHBondContact CG-OE1 3.48Å; Q264-E280 PolarHBondContact N-OE1 3.33Å; Q264-E280 PolarHBondContact O-N 3.24Å
265	L	94.1	Very high	94.1	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	128.3	167.8	-177.8	68.4	0	0	0	110.1	L253 A254 R257 C268 F277 V278 M279 Y523	L253-L265 HydrophobicContact CB-CB 4.01Å; L253-L265 HydrophobicContact CB-CD2 4.1Å; L253-L265 HydrophobicContact CB-CG 4.47Å; L253-L265 HydrophobicContact CD1-CD1 4.47Å; A254-L265 HydrophobicContact CB-CD2 4.41Å; R257-L265 WeakPolarHBondContact CD-O 3.39Å; R257-L265 HydrophobicContact CG-CB 4.39Å; R257-L265 WeakPolarHBondContact CG-O 3.36Å; R257-L265 VanDerWaalsContact CZ-O 3.24Å; R257-L265 PolarHBondContact NE-O 2.79Å; R257-L265 PolarHBondContact NH1-O 3.35Å; L265-C268 VanDerWaalsContact CD1-SG 3.55Å; L265-F277 HydrophobicContact CD1-CB 4.22Å; L265-F277 HydrophobicContact CD1-CD1 4.16Å; L265-V278 WeakPolarHBondContact CD1-O 3.45Å; L265-M279 HydrophobicContact CD1-CG 4.11Å; L265-Y523 HydrophobicContact CD2-CD1 3.83Å; L265-Y523 HydrophobicContact CD2-CE1 4.13Å
266	F	93.2	Very high	94.3	Very high	67 Å²	67	35 Å²	35	29%	0.294	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-56.1	172.6	-179.1	-109	0	0	0	111.3	M196 F227 R257 V278	M196-F266 HydrophobicContact CE-CE1 3.44Å; M196-F266 VanDerWaalsContact CE-CE1 3.44Å; M196-F266 HydrophobicContact CE-CZ 3.71Å; M196-F266 HydrophobicContact SD-CD1 4.44Å; M196-F266 HydrophobicContact SD-CE1 3.61Å; M196-F266 HydrophobicContact SD-CZ 4.47Å; F227-F266 HydrophobicContact CD1-CB 4.1Å; F227-F266 HydrophobicContact CD1-CD1 4.36Å; F227-F266 HydrophobicContact CD1-CG 4.21Å; F227-F266 HydrophobicContact CE1-CB 3.87Å; F227-F266 AromaticContact CE1-CD1 3.81Å; F227-F266 HydrophobicContact CE1-CD1 3.81Å; F227-F266 AromaticContact CE1-CD2 3.84Å; F227-F266 HydrophobicContact CE1-CD2 3.84Å; F227-F266 HydrophobicContact CE1-CE1 4.25Å; F227-F266 HydrophobicContact CE1-CE2 4.31Å; F227-F266 AromaticContact CE1-CG 3.57Å; F227-F266 HydrophobicContact CE1-CG 3.57Å; F227-F266 HydrophobicContact CE1-CZ 4.5Å; F227-F266 HydrophobicContact CZ-CD1 4.09Å; F227-F266 HydrophobicContact CZ-CD2 4.29Å; F227-F266 HydrophobicContact CZ-CE1 4.07Å; F227-F266 HydrophobicContact CZ-CE2 4.3Å; F227-F266 HydrophobicContact CZ-CG 4.19Å; F227-F266 HydrophobicContact CZ-CZ 4.19Å; R257-F266 PolarHBondContact NH1-O 3.44Å; F266-V278 WeakPolarHBondContact CA-O 3.43Å; F266-V278 HydrophobicContact CB-CG1 4.2Å; F266-V278 WeakPolarHBondContact CB-O 3.26Å; F266-V278 HydrophobicContact CD1-CG1 3.98Å; F266-V278 PolarHBondContact N-O 2.94Å
267	C	94.5	Very high	94.6	Very high	3 Å²	3	35 Å²	35	2%	0.02	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	165.4	174.4	70.8	0	0	0	0	111.5	V278 Y523 F524	C267-V278 PolarHBondContact N-O 3.17Å; C267-V278 WeakPolarHBondContact O-CA 3.31Å; C267-V278 WeakPolarHBondContact O-CB 3.43Å; C267-V278 PolarHBondContact O-N 3.46Å; C267-V278 VanDerWaalsContact SG-CG2 3.6Å; C267-Y523 CarbonylContact C-O 3.35Å; C267-Y523 VanDerWaalsContact CA-O 3.25Å; C267-Y523 WeakPolarHBondContact CA-O 3.5Å; C267-Y523 VanDerWaalsContact CB-O 3.27Å; C267-Y523 WeakPolarHBondContact CB-O 3.38Å; C267-F524 HydrophobicContact CB-CD1 3.99Å
268	C	95.4	Very high	95.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139	169.8	-68.6	0	0	0	0	109.9	L265 F276 F277 F521 S522 Y523	L265-C268 VanDerWaalsContact CD1-SG 3.55Å; C268-F276 VanDerWaalsContact CA-O 3.22Å; C268-F276 WeakPolarHBondContact CA-O 3.48Å; C268-F277 WeakPolarHBondContact SG-CD1 3.46Å; C268-F521 HydrophobicContact CB-CD1 4.12Å; C268-F521 HydrophobicContact CB-CE1 3.62Å; C268-F521 HydrophobicContact CB-CZ 4.01Å; C268-S522 CarbonylContact O-C 3.59Å; C268-S522 VanDerWaalsContact O-CA 3.29Å; C268-S522 WeakPolarHBondContact O-CA 3.34Å; C268-Y523 PolarHBondContact N-O 2.83Å; C268-Y523 PolarHBondContact O-N 2.9Å
269	F	95.9	Very high	95.5	Very high	6 Å²	6	24.8 Å²	24.8	3%	0.026	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	168.9	171.3	64.8	-92.2	0	0	0	110.7	L198 F201 F276 V278 F521 F524	L198-F269 HydrophobicContact CB-CE2 4.14Å; L198-F269 HydrophobicContact CD1-CE2 4.47Å; F201-F269 HydrophobicContact CD2-CE1 4.07Å; F201-F269 HydrophobicContact CD2-CZ 4.17Å; F201-F269 AromaticContact CE2-CE1 3.63Å; F201-F269 HydrophobicContact CE2-CE1 3.63Å; F201-F269 HydrophobicContact CE2-CZ 4.19Å; F201-F269 HydrophobicContact CZ-CE1 4.5Å; F269-F276 HydrophobicContact CD1-CB 4.07Å; F269-F276 HydrophobicContact CD2-CB 3.94Å; F269-F276 AromaticContact CD2-CD2 3.7Å; F269-F276 HydrophobicContact CD2-CD2 3.7Å; F269-F276 HydrophobicContact CD2-CE2 4.45Å; F269-F276 AromaticContact CD2-CG 3.92Å; F269-F276 HydrophobicContact CD2-CG 3.92Å; F269-F276 HydrophobicContact CE1-CB 3.8Å; F269-F276 HydrophobicContact CE1-CG 4.31Å; F269-F276 HydrophobicContact CE2-CB 3.66Å; F269-F276 AromaticContact CE2-CD1 3.85Å; F269-F276 HydrophobicContact CE2-CD1 3.85Å; F269-F276 AromaticContact CE2-CD2 3.4Å; F269-F276 HydrophobicContact CE2-CD2 3.4Å; F269-F276 VanDerWaalsContact CE2-CD2 3.4Å; F269-F276 HydrophobicContact CE2-CE1 4.37Å; F269-F276 AromaticContact CE2-CE2 3.97Å; F269-F276 HydrophobicContact CE2-CE2 3.97Å; F269-F276 AromaticContact CE2-CG 3.34Å; F269-F276 HydrophobicContact CE2-CG 3.34Å; F269-F276 HydrophobicContact CE2-CZ 4.43Å; F269-F276 HydrophobicContact CG-CB 4.14Å; F269-F276 HydrophobicContact CZ-CB 3.59Å; F269-F276 AromaticContact CZ-CD1 3.81Å; F269-F276 HydrophobicContact CZ-CD1 3.81Å; F269-F276 HydrophobicContact CZ-CD2 4.14Å; F269-F276 AromaticContact CZ-CG 3.58Å; F269-F276 HydrophobicContact CZ-CG 3.58Å; F269-F276 PolarHBondContact N-O 2.86Å; F269-F276 WeakPolarHBondContact O-CB 3.41Å; F269-F276 PolarHBondContact O-N 3.31Å; F269-V278 HydrophobicContact CD1-CG2 4.12Å; F269-V278 HydrophobicContact CE1-CG2 3.61Å; F269-F521 VanDerWaalsContact O-CE1 3.26Å; F269-F521 WeakPolarHBondContact O-CE1 3.3Å; F269-F524 HydrophobicContact CB-CE1 4.29Å; F269-F524 HydrophobicContact CB-CZ 4.27Å
270	Q	96.1	Very high	95.5	Very high	54 Å²	54	26.2 Å²	26.2	25%	0.252	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	151.4	-177	58.7	178.5	-51.2	0	0	111.8	R274 L275 F518 F521	Q270-R274 CarbonylContact C-O 3.58Å; Q270-R274 VanDerWaalsContact CA-O 3.31Å; Q270-R274 WeakPolarHBondContact CA-O 3.49Å; Q270-R274 WeakPolarHBondContact CB-O 3.47Å; Q270-L275 HydrophobicContact CB-CD2 3.64Å; Q270-F518 PolarHBondContact NE2-O 3.32Å; Q270-F521 HydrophobicContact CB-CD1 4.11Å
271	T	95.3	Very high	95.4	Very high	41 Å²	41	25.8 Å²	25.8	25%	0.252	12%	0.121	S	C	.	.			trans	-108.2	-174.3	167.1	59.6	0	0	0	0	109.3	K234 D273 R274 F276	K234-T271 WeakPolarHBondContact CE-O 3.41Å; K234-T271 PolarHBondContact NZ-O 3.1Å; T271-D273 PolarHBondContact O-N 3.24Å; T271-D273 PolarHBondContact OG1-OD1 2.86Å; T271-R274 PolarHBondContact N-O 3.34Å; T271-R274 WeakPolarHBondContact OG1-CB 3.45Å; T271-R274 PolarHBondContact OG1-N 2.96Å; T271-R274 VanDerWaalsContact OG1-N 3.12Å; T271-F276 HydrophobicContact CG2-CE2 3.74Å; T271-F276 HydrophobicContact CG2-CZ 4.34Å
272	K	95.3	Very high	95.2	Very high	159 Å²	159	26.1 Å²	26.1	69%	0.691	12%	0.122	S	C	*	.	S	Bend	trans	-62.9	-27	175.9	-64.5	-177.4	177.7	178.7	0	112.8	I510 Q515	K272-I510 HydrophobicContact CB-CG2 3.73Å; K272-Q515 PolarHBondContact O-NE2 2.9Å; K272-Q515 PolarHBondContact O-OE1 3.32Å
273	D	95	Very high	94.9	Very high	28 Å²	28	26.9 Å²	26.9	15%	0.15	13%	0.126	C	C	.	.	S	Bend	trans	-116.6	-14.2	-172.2	67.7	-45.5	0	0	0	114.2	K234 T271 V505 I510	K234-D273 WeakPolarHBondContact CB-O 3.49Å; K234-D273 PolarHBondContact N-O 3.33Å; T271-D273 PolarHBondContact O-N 3.24Å; T271-D273 PolarHBondContact OG1-OD1 2.86Å; D273-V505 HydrophobicContact CB-CB 4.27Å; D273-V505 HydrophobicContact CB-CG1 4.5Å; D273-V505 HydrophobicContact CB-CG2 4.19Å; D273-V505 WeakPolarHBondContact OD2-CG2 3.45Å; D273-I510 HydrophobicContact CB-CD1 4.11Å; D273-I510 HydrophobicContact CB-CG1 4.03Å
274	R	95.9	Very high	94.7	Very high	11 Å²	11	26.6 Å²	26.6	4%	0.042	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	157.9	-169.7	-69.9	162.1	-167.3	-77.8	-17.7	114.4	V231 L232 Q270 T271 F276 T503 V505	V231-R274 HydrophobicContact CG1-CB 4.31Å; V231-R274 HydrophobicContact CG1-CG 4.23Å; L232-R274 CarbonylContact O-C 3.59Å; L232-R274 WeakPolarHBondContact O-CA 3.36Å; L232-R274 WeakPolarHBondContact O-CB 3.34Å; Q270-R274 CarbonylContact C-O 3.58Å; Q270-R274 VanDerWaalsContact CA-O 3.31Å; Q270-R274 WeakPolarHBondContact CA-O 3.49Å; Q270-R274 WeakPolarHBondContact CB-O 3.47Å; T271-R274 PolarHBondContact N-O 3.34Å; T271-R274 WeakPolarHBondContact OG1-CB 3.45Å; T271-R274 PolarHBondContact OG1-N 2.96Å; T271-R274 VanDerWaalsContact OG1-N 3.12Å; R274-F276 HydrophobicContact CB-CD2 4.26Å; R274-F276 HydrophobicContact CB-CE2 3.47Å; R274-F276 VanDerWaalsContact CB-CE2 3.47Å; R274-F276 HydrophobicContact CB-CZ 3.81Å; R274-T503 PolarHBondContact NH2-O 2.81Å; R274-V505 VanDerWaalsContact NH2-CG2 3.29Å
275	L	96.6	Very high	94.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	142.2	167.6	-55.9	-179.4	0	0	0	109.4	V231 L232 K234 I237 T246 Q270 F518 F521	V231-L275 WeakPolarHBondContact CA-O 3.31Å; L232-L275 HydrophobicContact CB-CB 4.38Å; L232-L275 PolarHBondContact N-O 3.14Å; L232-L275 PolarHBondContact O-N 2.65Å; K234-L275 HydrophobicContact CD-CD2 4.45Å; K234-L275 VanDerWaalsContact CE-CD2 3.42Å; K234-L275 HydrophobicContact CG-CD2 4.2Å; K234-L275 HydrophobicContact CG-CG 4.08Å; I237-L275 HydrophobicContact CD1-CD1 3.63Å; I237-L275 HydrophobicContact CD1-CG 4.33Å; T246-L275 HydrophobicContact CG2-CD1 3.59Å; Q270-L275 HydrophobicContact CB-CD2 3.64Å; L275-F518 HydrophobicContact CD1-CD1 3.63Å; L275-F518 HydrophobicContact CD1-CE1 3.79Å; L275-F518 HydrophobicContact CD2-CB 4.19Å; L275-F518 HydrophobicContact CD2-CD1 4.03Å; L275-F518 HydrophobicContact CD2-CG 4.18Å; L275-F518 HydrophobicContact CG-CD1 4.26Å; L275-F521 HydrophobicContact CB-CD1 4.42Å; L275-F521 HydrophobicContact CB-CE1 3.84Å; L275-F521 HydrophobicContact CB-CE2 4.03Å; L275-F521 HydrophobicContact CB-CZ 3.65Å; L275-F521 HydrophobicContact CD1-CD2 3.93Å; L275-F521 HydrophobicContact CD1-CE2 3.81Å; L275-F521 HydrophobicContact CD1-CZ 4.3Å; L275-F521 HydrophobicContact CD2-CB 4.39Å; L275-F521 HydrophobicContact CD2-CD1 3.83Å; L275-F521 HydrophobicContact CD2-CD2 4.08Å; L275-F521 HydrophobicContact CD2-CE1 4.13Å; L275-F521 HydrophobicContact CD2-CE2 4.37Å; L275-F521 HydrophobicContact CD2-CG 3.82Å; L275-F521 HydrophobicContact CD2-CZ 4.41Å; L275-F521 HydrophobicContact CG-CD2 4.43Å; L275-F521 HydrophobicContact CG-CE1 4.47Å; L275-F521 HydrophobicContact CG-CE2 4.3Å; L275-F521 HydrophobicContact CG-CZ 4.34Å
276	F	96.8	Very high	94.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	121	-177.8	-61.5	-100.6	0	0	0	109.5	L198 F203 V229 K230 V231 C268 F269 T271 R274 L502	L198-F276 HydrophobicContact CD1-CD1 4.23Å; L198-F276 HydrophobicContact CD1-CE1 3.47Å; L198-F276 VanDerWaalsContact CD1-CE1 3.47Å; L198-F276 HydrophobicContact CD1-CZ 3.73Å; F203-F276 HydrophobicContact CZ-CE1 4.44Å; V229-F276 HydrophobicContact CG1-CB 4.39Å; V229-F276 HydrophobicContact CG1-CD1 4Å; K230-F276 WeakPolarHBondContact O-CA 3.36Å; V231-F276 HydrophobicContact CB-CD1 4.34Å; V231-F276 HydrophobicContact CB-CE1 4.28Å; V231-F276 HydrophobicContact CG1-CD1 4.02Å; V231-F276 HydrophobicContact CG1-CE1 3.59Å; V231-F276 HydrophobicContact CG1-CZ 3.96Å; V231-F276 HydrophobicContact CG2-CD1 3.63Å; V231-F276 HydrophobicContact CG2-CE1 3.71Å; C268-F276 VanDerWaalsContact CA-O 3.22Å; C268-F276 WeakPolarHBondContact CA-O 3.48Å; F269-F276 HydrophobicContact CD1-CB 4.07Å; F269-F276 HydrophobicContact CD2-CB 3.94Å; F269-F276 AromaticContact CD2-CD2 3.7Å; F269-F276 HydrophobicContact CD2-CD2 3.7Å; F269-F276 HydrophobicContact CD2-CE2 4.45Å; F269-F276 AromaticContact CD2-CG 3.92Å; F269-F276 HydrophobicContact CD2-CG 3.92Å; F269-F276 HydrophobicContact CE1-CB 3.8Å; F269-F276 HydrophobicContact CE1-CG 4.31Å; F269-F276 HydrophobicContact CE2-CB 3.66Å; F269-F276 AromaticContact CE2-CD1 3.85Å; F269-F276 HydrophobicContact CE2-CD1 3.85Å; F269-F276 AromaticContact CE2-CD2 3.4Å; F269-F276 HydrophobicContact CE2-CD2 3.4Å; F269-F276 VanDerWaalsContact CE2-CD2 3.4Å; F269-F276 HydrophobicContact CE2-CE1 4.37Å; F269-F276 AromaticContact CE2-CE2 3.97Å; F269-F276 HydrophobicContact CE2-CE2 3.97Å; F269-F276 AromaticContact CE2-CG 3.34Å; F269-F276 HydrophobicContact CE2-CG 3.34Å; F269-F276 HydrophobicContact CE2-CZ 4.43Å; F269-F276 HydrophobicContact CG-CB 4.14Å; F269-F276 HydrophobicContact CZ-CB 3.59Å; F269-F276 AromaticContact CZ-CD1 3.81Å; F269-F276 HydrophobicContact CZ-CD1 3.81Å; F269-F276 HydrophobicContact CZ-CD2 4.14Å; F269-F276 AromaticContact CZ-CG 3.58Å; F269-F276 HydrophobicContact CZ-CG 3.58Å; F269-F276 PolarHBondContact N-O 2.86Å; F269-F276 WeakPolarHBondContact O-CB 3.41Å; F269-F276 PolarHBondContact O-N 3.31Å; T271-F276 HydrophobicContact CG2-CE2 3.74Å; T271-F276 HydrophobicContact CG2-CZ 4.34Å; R274-F276 HydrophobicContact CB-CD2 4.26Å; R274-F276 HydrophobicContact CB-CE2 3.47Å; R274-F276 VanDerWaalsContact CB-CE2 3.47Å; R274-F276 HydrophobicContact CB-CZ 3.81Å; F276-L502 HydrophobicContact CE1-CD1 4.21Å; F276-L502 HydrophobicContact CZ-CD1 4.06Å
277	F	95.8	Very high	94.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	115.2	166.2	-62.3	-101.1	0	0	0	108	V229 K230 L232 T246 E249 K250 L253 L265 C268 M279 F521	V229-F277 CarbonylContact C-O 3.53Å; V229-F277 VanDerWaalsContact CA-O 3.27Å; V229-F277 WeakPolarHBondContact CA-O 3.45Å; K230-F277 HydrophobicContact CB-CB 4.23Å; K230-F277 PolarHBondContact N-O 3.33Å; K230-F277 PolarHBondContact O-N 3.19Å; L232-F277 HydrophobicContact CD1-CD2 4.33Å; L232-F277 HydrophobicContact CD1-CE2 3.66Å; L232-F277 HydrophobicContact CG-CE2 4.35Å; T246-F277 HydrophobicContact CG2-CE2 4.23Å; T246-F277 HydrophobicContact CG2-CZ 4.06Å; E249-F277 HydrophobicContact CG-CE1 4.42Å; E249-F277 HydrophobicContact CG-CZ 4.49Å; K250-F277 HydrophobicContact CB-CE1 3.76Å; K250-F277 HydrophobicContact CB-CZ 4.31Å; K250-F277 HydrophobicContact CG-CE1 4.11Å; L253-F277 HydrophobicContact CD1-CD1 3.65Å; L253-F277 HydrophobicContact CD1-CE1 4Å; L253-F277 HydrophobicContact CD1-CG 4.47Å; L265-F277 HydrophobicContact CD1-CB 4.22Å; L265-F277 HydrophobicContact CD1-CD1 4.16Å; C268-F277 WeakPolarHBondContact SG-CD1 3.46Å; F277-M279 HydrophobicContact CB-CG 4.28Å; F277-M279 HydrophobicContact CB-SD 4.4Å; F277-F521 HydrophobicContact CD1-CZ 4.3Å; F277-F521 HydrophobicContact CD2-CE2 4.49Å; F277-F521 AromaticContact CD2-CZ 3.9Å; F277-F521 HydrophobicContact CD2-CZ 3.9Å; F277-F521 AromaticContact CE1-CE2 3.95Å; F277-F521 HydrophobicContact CE1-CE2 3.95Å; F277-F521 AromaticContact CE1-CZ 3.99Å; F277-F521 HydrophobicContact CE1-CZ 3.99Å; F277-F521 AromaticContact CE2-CE2 3.7Å; F277-F521 HydrophobicContact CE2-CE2 3.7Å; F277-F521 AromaticContact CE2-CZ 3.54Å; F277-F521 HydrophobicContact CE2-CZ 3.54Å; F277-F521 HydrophobicContact CG-CZ 4.27Å; F277-F521 AromaticContact CZ-CE2 3.41Å; F277-F521 HydrophobicContact CZ-CE2 3.41Å; F277-F521 VanDerWaalsContact CZ-CE2 3.41Å; F277-F521 AromaticContact CZ-CZ 3.62Å; F277-F521 HydrophobicContact CZ-CZ 3.62Å
278	V	96.1	Very high	94.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	112.2	174.1	-174	0	0	0	0	107.3	F201 F227 V229 L265 F266 C267 F269	F201-V278 HydrophobicContact CE1-CG1 3.83Å; F201-V278 HydrophobicContact CE1-CG2 4.37Å; F201-V278 HydrophobicContact CE2-CG2 4.15Å; F201-V278 HydrophobicContact CZ-CB 4.46Å; F201-V278 HydrophobicContact CZ-CG1 3.88Å; F201-V278 HydrophobicContact CZ-CG2 3.81Å; F227-V278 HydrophobicContact CB-CG1 3.66Å; F227-V278 HydrophobicContact CD1-CG1 3.78Å; F227-V278 HydrophobicContact CD2-CG1 4.4Å; F227-V278 HydrophobicContact CG-CG1 3.68Å; V229-V278 HydrophobicContact CG1-CG2 4.46Å; V229-V278 HydrophobicContact CG2-CG1 4.39Å; V229-V278 HydrophobicContact CG2-CG2 4.36Å; L265-V278 WeakPolarHBondContact CD1-O 3.45Å; F266-V278 WeakPolarHBondContact CA-O 3.43Å; F266-V278 HydrophobicContact CB-CG1 4.2Å; F266-V278 WeakPolarHBondContact CB-O 3.26Å; F266-V278 HydrophobicContact CD1-CG1 3.98Å; F266-V278 PolarHBondContact N-O 2.94Å; C267-V278 PolarHBondContact N-O 3.17Å; C267-V278 WeakPolarHBondContact O-CA 3.31Å; C267-V278 WeakPolarHBondContact O-CB 3.43Å; C267-V278 PolarHBondContact O-N 3.46Å; C267-V278 VanDerWaalsContact SG-CG2 3.6Å; F269-V278 HydrophobicContact CD1-CG2 4.12Å; F269-V278 HydrophobicContact CE1-CG2 3.61Å
279	M	95.2	Very high	94.1	Very high	20 Å²	20	25.4 Å²	25.4	10%	0.099	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	162	-174	-56.8	173.3	-64	0	0	110.3	F227 A228 K230 L253 T263 Q264 L265 F277 Y281	F227-M279 WeakPolarHBondContact CA-O 3.3Å; F227-M279 WeakPolarHBondContact CB-O 3.27Å; A228-M279 PolarHBondContact N-O 3.27Å; A228-M279 WeakPolarHBondContact O-CB 3.49Å; A228-M279 PolarHBondContact O-N 3.13Å; K230-M279 HydrophobicContact CB-CE 3.65Å; L253-M279 HydrophobicContact CD1-SD 4.22Å; L253-M279 HydrophobicContact CD2-SD 4.32Å; T263-M279 HydrophobicContact CG2-CB 4.23Å; Q264-M279 CarbonylContact O-C 3.54Å; Q264-M279 VanDerWaalsContact O-CA 3.31Å; Q264-M279 WeakPolarHBondContact O-CA 3.46Å; L265-M279 HydrophobicContact CD1-CG 4.11Å; F277-M279 HydrophobicContact CB-CG 4.28Å; F277-M279 HydrophobicContact CB-SD 4.4Å; M279-Y281 PolarHBondContact O-N 3.2Å
280	E	94.4	Very high	93.8	Very high	47 Å²	47	25.6 Å²	25.6	22%	0.22	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	140.5	170.9	69.8	176.6	135	0	0	110.7	T263 Q264 V282 K340	T263-E280 VanDerWaalsContact CA-OE1 3.32Å; T263-E280 WeakPolarHBondContact CA-OE1 3.39Å; T263-E280 HydrophobicContact CG2-CG 3.84Å; Q264-E280 HydrophobicContact CB-CB 4.37Å; Q264-E280 HydrophobicContact CB-CG 4.16Å; Q264-E280 WeakPolarHBondContact CB-OE1 3.49Å; Q264-E280 WeakPolarHBondContact CG-OE1 3.48Å; Q264-E280 PolarHBondContact N-OE1 3.33Å; Q264-E280 PolarHBondContact O-N 3.24Å; E280-V282 HydrophobicContact CG-CG2 3.96Å; E280-K340 WeakPolarHBondContact OE1-CE 3.34Å; E280-K340 IonicContact OE1-NZ 2.64Å; E280-K340 PolarHBondContact OE1-NZ 3.46Å; E280-K340 WeakPolarHBondContact OE2-CE 3.19Å; E280-K340 IonicContact OE2-NZ 3.64Å; E280-K340 PolarHBondContact OE2-NZ 3.28Å
281	Y	95.4	Very high	93.5	Very high	24 Å²	24	23.4 Å²	23.4	9%	0.094	11%	0.112	C	C	.	.			trans	-87.8	115.4	175.2	179.3	-128.9	0	0	0	110.7	L207 L217 V226 A228 M279 N283 K485 D487 F491	L207-Y281 HydrophobicContact CD1-CD2 3.85Å; L207-Y281 HydrophobicContact CD1-CE2 3.52Å; L207-Y281 HydrophobicContact CD2-CE2 4.01Å; L207-Y281 HydrophobicContact CG-CE2 4.42Å; L217-Y281 HydrophobicContact CD1-CD1 3.62Å; L217-Y281 HydrophobicContact CD1-CD2 3.83Å; L217-Y281 HydrophobicContact CD1-CE1 3.68Å; L217-Y281 HydrophobicContact CD1-CE2 3.93Å; L217-Y281 HydrophobicContact CD1-CG 3.68Å; L217-Y281 HydrophobicContact CD2-CE1 4.33Å; V226-Y281 HydrophobicContact CB-CD1 4.43Å; V226-Y281 HydrophobicContact CG2-CD1 3.82Å; V226-Y281 HydrophobicContact CG2-CG 4.49Å; A228-Y281 HydrophobicContact CB-CD2 4.32Å; M279-Y281 PolarHBondContact O-N 3.2Å; Y281-N283 HydrophobicContact CD1-CB 4.11Å; Y281-N283 HydrophobicContact CE1-CB 3.54Å; Y281-N283 HydrophobicContact CE2-CB 4.49Å; Y281-K485 WeakPolarHBondContact CD1-O 3.5Å; Y281-K485 VanDerWaalsContact CE1-O 3.31Å; Y281-K485 WeakPolarHBondContact CE1-O 2.87Å; Y281-D487 PolarHBondContact OH-O 3.29Å; Y281-F491 HydrophobicContact CE2-CE1 4.48Å; Y281-F491 AromaticContact CE2-CE2 3.82Å; Y281-F491 HydrophobicContact CE2-CE2 3.82Å; Y281-F491 AromaticContact CE2-CZ 3.53Å; Y281-F491 HydrophobicContact CE2-CZ 3.53Å; Y281-F491 AromaticContact CZ-CE2 3.82Å; Y281-F491 WeakPolarHBondContact OH-CE2 3.47Å
282	V	94.7	Very high	93.1	Very high	7 Å²	7	27.9 Å²	27.9	4%	0.042	13%	0.13	C	C	.	.			trans	-104.6	110.5	179.7	-173.6	0	0	0	0	109.1	E280 L332 L333 D334 K340 F491	E280-V282 HydrophobicContact CG-CG2 3.96Å; V282-L332 HydrophobicContact CB-CB 4.09Å; V282-L332 HydrophobicContact CB-CD1 3.92Å; V282-L332 HydrophobicContact CG1-CB 3.54Å; V282-L332 HydrophobicContact CG1-CD1 4.32Å; V282-L332 HydrophobicContact CG2-CD1 4.37Å; V282-L333 WeakPolarHBondContact CG1-O 3.19Å; V282-D334 HydrophobicContact CG1-CB 4.44Å; V282-K340 HydrophobicContact CG1-CB 4.24Å; V282-K340 HydrophobicContact CG1-CG 4.18Å; V282-K340 HydrophobicContact CG2-CB 4.17Å; V282-K340 HydrophobicContact CG2-CG 4.03Å; V282-F491 WeakPolarHBondContact O-CZ 3.29Å
283	N	91	Very high	92.7	Very high	16 Å²	16	29 Å²	29	9%	0.086	13%	0.13	C	C	.	.			trans	-108.7	5.1	-162.8	59.8	-9.5	0	0	0	115.7	Y281 G285 I482 N490	Y281-N283 HydrophobicContact CD1-CB 4.11Å; Y281-N283 HydrophobicContact CE1-CB 3.54Å; Y281-N283 HydrophobicContact CE2-CB 4.49Å; N283-G285 VanDerWaalsContact C-N 3.26Å; N283-G285 PolarHBondContact O-N 3.48Å; N283-I482 HydrophobicContact CB-CD1 4.27Å; N283-I482 VanDerWaalsContact CG-CD1 3.4Å; N283-I482 VanDerWaalsContact ND2-CG2 3.31Å; N283-I482 WeakPolarHBondContact ND2-CG2 3.36Å; N283-I482 WeakPolarHBondContact OD1-CD1 3.43Å; N283-N490 PolarHBondContact O-ND2 3.28Å
284	G	90.3	Very high	92.4	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-79.8	-2.9	175.6	0	0	0	0	0	114.9	Q290 L333	G284-Q290 PolarHBondContact O-NE2 3.47Å; G284-Q290 VanDerWaalsContact O-NE2 3.16Å; G284-L333 WeakPolarHBondContact CA-O 3.1Å; G284-L333 PolarHBondContact N-O 2.8Å
285	G	90.5	Very high	92.1	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.01	18%	0.175	C	C	.	.			trans	78.1	177.7	-172.4	0	0	0	0	0	112.2	N283 L332 L333 N490	N283-G285 VanDerWaalsContact C-N 3.26Å; N283-G285 PolarHBondContact O-N 3.48Å; G285-L332 CarbonylContact O-C 3.58Å; G285-L332 WeakPolarHBondContact O-CA 3.43Å; G285-L333 PolarHBondContact O-N 3.23Å; G285-N490 WeakPolarHBondContact CA-O 3.2Å
286	D	92.1	Very high	92.1	Very high	35 Å²	35	43.7 Å²	43.7	19%	0.187	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-88.7	164.1	175.7	55.8	74.2	0	0	0	112.6	M288 F289 Q290 I331 L332	D286-M288 PolarHBondContact O-N 2.91Å; D286-M288 WeakPolarHBondContact OD1-CA 3.5Å; D286-M288 VanDerWaalsContact OD1-CB 3.24Å; D286-M288 WeakPolarHBondContact OD1-CB 3.31Å; D286-M288 PolarHBondContact OD1-N 3.15Å; D286-M288 VanDerWaalsContact OD1-N 3.1Å; D286-F289 PolarHBondContact O-N 3.24Å; D286-F289 WeakPolarHBondContact OD1-CB 3.35Å; D286-F289 PolarHBondContact OD1-N 3.44Å; D286-Q290 WeakPolarHBondContact O-CG 3.24Å; D286-Q290 PolarHBondContact O-N 2.95Å; D286-I331 CarbonylContact C-O 3.59Å; D286-I331 WeakPolarHBondContact CA-O 3.49Å; D286-L332 HydrophobicContact CB-CD2 3.77Å
287	L	94.3	Very high	92.1	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.9	-27.1	177.5	-71.2	-171.7	0	0	0	112.5	Q290 I291 F297 Y305 L328 I331 L333 M393	L287-Q290 PolarHBondContact O-N 3.15Å; L287-I291 PolarHBondContact O-N 3.02Å; L287-F297 HydrophobicContact CD2-CE2 4.23Å; L287-Y305 HydrophobicContact CD1-CD2 4.32Å; L287-Y305 HydrophobicContact CD1-CG 4.43Å; L287-Y305 HydrophobicContact CD2-CD2 3.97Å; L287-Y305 HydrophobicContact CD2-CE2 3.83Å; L287-Y305 HydrophobicContact CD2-CG 4.46Å; L287-L328 HydrophobicContact CB-CB 4.33Å; L287-L328 HydrophobicContact CB-CD2 3.75Å; L287-L328 HydrophobicContact CD1-CD2 4.32Å; L287-L328 PolarHBondContact N-O 3.25Å; L287-I331 HydrophobicContact CB-CB 4.48Å; L287-I331 HydrophobicContact CD1-CB 3.79Å; L287-I331 HydrophobicContact CD1-CD1 3.96Å; L287-I331 HydrophobicContact CD1-CG1 4.5Å; L287-I331 HydrophobicContact CD1-CG2 3.49Å; L287-I331 VanDerWaalsContact CD1-CG2 3.49Å; L287-I331 HydrophobicContact CG-CB 3.92Å; L287-I331 HydrophobicContact CG-CG2 3.74Å; L287-I331 PolarHBondContact N-O 2.76Å; L287-L333 HydrophobicContact CD2-CD1 4.01Å; L287-L333 HydrophobicContact CD2-CD2 3.81Å; L287-L333 HydrophobicContact CD2-CG 3.93Å; L287-M393 HydrophobicContact CD1-SD 4.26Å
288	M	91	Very high	92.2	Very high	39 Å²	39	48.4 Å²	48.4	19%	0.192	22%	0.218	C	C	.	.	H	α-helix	trans	-62.5	-46.8	176.5	173.7	61.2	81.1	0	0	110.2	D286 Q290 I291 Q292 L328	D286-M288 PolarHBondContact O-N 2.91Å; D286-M288 WeakPolarHBondContact OD1-CA 3.5Å; D286-M288 VanDerWaalsContact OD1-CB 3.24Å; D286-M288 WeakPolarHBondContact OD1-CB 3.31Å; D286-M288 PolarHBondContact OD1-N 3.15Å; D286-M288 VanDerWaalsContact OD1-N 3.1Å; M288-Q290 VanDerWaalsContact C-N 3.31Å; M288-Q290 PolarHBondContact O-N 2.67Å; M288-I291 VanDerWaalsContact O-CG2 3.3Å; M288-I291 WeakPolarHBondContact O-CG2 3.15Å; M288-I291 PolarHBondContact O-N 2.73Å; M288-I291 HydrophobicContact SD-CG2 4.2Å; M288-Q292 VanDerWaalsContact O-CG 3.27Å; M288-Q292 WeakPolarHBondContact O-CG 3.13Å; M288-Q292 PolarHBondContact O-N 3.33Å; M288-Q292 HydrophobicContact SD-CG 4.15Å; M288-L328 HydrophobicContact CB-CB 3.82Å; M288-L328 HydrophobicContact CE-CB 4.29Å; M288-L328 HydrophobicContact CE-CD1 4.18Å; M288-L328 HydrophobicContact SD-CD1 4.46Å
289	F	87.5	Confident	92.2	Very high	45 Å²	45	50.5 Å²	50.5	20%	0.197	23%	0.228	C	C	.	.	H	α-helix	trans	-59.9	-40.9	174.4	180	-101.6	0	0	0	112.1	D286 R293 N490	D286-F289 PolarHBondContact O-N 3.24Å; D286-F289 WeakPolarHBondContact OD1-CB 3.35Å; D286-F289 PolarHBondContact OD1-N 3.44Å; F289-R293 WeakPolarHBondContact O-CG 3.33Å; F289-R293 PolarHBondContact O-N 3.45Å; F289-N490 HydrophobicContact CE1-CB 4.38Å
290	Q	89.9	Confident	92.4	Very high	10 Å²	10	52.1 Å²	52.1	5%	0.047	25%	0.245	C	C	.	.	H	α-helix	trans	-70.2	-38.1	179.6	-62	-56.4	-25.6	0	0	112.7	G284 D286 L287 M288 R293 S294 F297 L333 F478	G284-Q290 PolarHBondContact O-NE2 3.47Å; G284-Q290 VanDerWaalsContact O-NE2 3.16Å; D286-Q290 WeakPolarHBondContact O-CG 3.24Å; D286-Q290 PolarHBondContact O-N 2.95Å; L287-Q290 PolarHBondContact O-N 3.15Å; M288-Q290 VanDerWaalsContact C-N 3.31Å; M288-Q290 PolarHBondContact O-N 2.67Å; Q290-R293 PolarHBondContact O-N 3.49Å; Q290-S294 WeakPolarHBondContact O-CB 3.32Å; Q290-S294 PolarHBondContact O-N 3.23Å; Q290-S294 VanDerWaalsContact O-N 3.14Å; Q290-S294 PolarHBondContact O-OG 3.03Å; Q290-F297 HydrophobicContact CB-CE1 4.2Å; Q290-F297 HydrophobicContact CB-CZ 3.84Å; Q290-L333 HydrophobicContact CG-CD1 3.89Å; Q290-F478 HydrophobicContact CG-CE1 4.25Å; Q290-F478 VanDerWaalsContact OE1-CZ 3.29Å
291	I	90.1	Very high	92.6	Very high	9 Å²	9	52.3 Å²	52.3	5%	0.046	24%	0.243	C	C	.	.	H	α-helix	trans	-70.6	-39.6	178.3	-154	173.8	0	0	0	111	L287 M288 R293 S294 R295 F297 L328 E392	L287-I291 PolarHBondContact O-N 3.02Å; M288-I291 VanDerWaalsContact O-CG2 3.3Å; M288-I291 WeakPolarHBondContact O-CG2 3.15Å; M288-I291 PolarHBondContact O-N 2.73Å; M288-I291 HydrophobicContact SD-CG2 4.2Å; I291-R293 PolarHBondContact O-N 3.16Å; I291-R293 VanDerWaalsContact O-N 3.15Å; I291-S294 CarbonylContact O-C 3.01Å; I291-S294 PolarHBondContact O-N 3.4Å; I291-R295 CarbonylContact O-C 3.44Å; I291-R295 VanDerWaalsContact O-CA 3.25Å; I291-R295 WeakPolarHBondContact O-CA 3.28Å; I291-R295 PolarHBondContact O-N 3.39Å; I291-F297 HydrophobicContact CB-CE1 4.11Å; I291-F297 HydrophobicContact CB-CZ 3.92Å; I291-F297 HydrophobicContact CG1-CD1 4.49Å; I291-F297 HydrophobicContact CG1-CE1 4.22Å; I291-F297 HydrophobicContact CG1-CZ 4.32Å; I291-L328 HydrophobicContact CD1-CD1 4.27Å; I291-L328 HydrophobicContact CG2-CD1 3.88Å; I291-E392 VanDerWaalsContact CD1-O 3.29Å; I291-E392 WeakPolarHBondContact CD1-O 3.45Å
292	Q	87.6	Confident	92.7	Very high	135 Å²	135	51.1 Å²	51.1	63%	0.631	24%	0.239	S	C	*	.	H	α-helix	trans	-57.4	-33.3	176.4	-74.9	176	1.7	0	0	112.6	M288	M288-Q292 VanDerWaalsContact O-CG 3.27Å; M288-Q292 WeakPolarHBondContact O-CG 3.13Å; M288-Q292 PolarHBondContact O-N 3.33Å; M288-Q292 HydrophobicContact SD-CG 4.15Å
293	R	86.2	Confident	92.9	Very high	181 Å²	181	52 Å²	52	68%	0.683	24%	0.242	S	C	*	.	H	α-helix	trans	-78.7	-34.9	175.8	-65.1	173.9	67.6	101.7	6.1	113.3	F289 Q290 I291	F289-R293 WeakPolarHBondContact O-CG 3.33Å; F289-R293 PolarHBondContact O-N 3.45Å; Q290-R293 PolarHBondContact O-N 3.49Å; I291-R293 PolarHBondContact O-N 3.16Å; I291-R293 VanDerWaalsContact O-N 3.15Å
294	S	88.8	Confident	93.3	Very high	50 Å²	50	51.8 Å²	51.8	35%	0.35	24%	0.24	S	C	.	.	H	α-helix	trans	-93.4	-11.9	-174.8	-51.3	0	0	0	0	113.2	Q290 I291 K296	Q290-S294 WeakPolarHBondContact O-CB 3.32Å; Q290-S294 PolarHBondContact O-N 3.23Å; Q290-S294 VanDerWaalsContact O-N 3.14Å; Q290-S294 PolarHBondContact O-OG 3.03Å; I291-S294 CarbonylContact O-C 3.01Å; I291-S294 PolarHBondContact O-N 3.4Å; S294-K296 WeakPolarHBondContact CB-O 3.38Å; S294-K296 PolarHBondContact O-N 3.19Å
295	R	91.1	Very high	93.7	Very high	212 Å²	212	52 Å²	52	80%	0.8	24%	0.24	S	C	*	.	S	Bend	trans	62.9	-44	-164.7	-55.7	-177.1	178.4	-169.7	-1.4	114.6	I291 G396	I291-R295 CarbonylContact O-C 3.44Å; I291-R295 VanDerWaalsContact O-CA 3.25Å; I291-R295 WeakPolarHBondContact O-CA 3.28Å; I291-R295 PolarHBondContact O-N 3.39Å; R295-G396 VanDerWaalsContact O-CA 3.22Å; R295-G396 WeakPolarHBondContact O-CA 3.28Å
296	K	94.6	Very high	94.1	Very high	87 Å²	87	51.9 Å²	51.9	38%	0.378	24%	0.24	S	C	.	.	S	Bend	trans	-153	164.9	172.8	63.9	178.8	-178.9	178.9	0	110.1	S294 M394	S294-K296 WeakPolarHBondContact CB-O 3.38Å; S294-K296 PolarHBondContact O-N 3.19Å; K296-M394 WeakPolarHBondContact CD-O 3.46Å
297	F	97.6	Very high	94.4	Very high	6 Å²	6	50.2 Å²	50.2	3%	0.026	23%	0.231	C	C	.	.			trans	-98.3	151.5	170.3	-60.5	-21.6	0	0	0	110.5	L287 Q290 I291 R301 S302 Y305 M393	L287-F297 HydrophobicContact CD2-CE2 4.23Å; Q290-F297 HydrophobicContact CB-CE1 4.2Å; Q290-F297 HydrophobicContact CB-CZ 3.84Å; I291-F297 HydrophobicContact CB-CE1 4.11Å; I291-F297 HydrophobicContact CB-CZ 3.92Å; I291-F297 HydrophobicContact CG1-CD1 4.49Å; I291-F297 HydrophobicContact CG1-CE1 4.22Å; I291-F297 HydrophobicContact CG1-CZ 4.32Å; F297-R301 HydrophobicContact CB-CB 4.25Å; F297-R301 HydrophobicContact CB-CG 4.19Å; F297-R301 HydrophobicContact CD2-CG 4.33Å; F297-R301 HydrophobicContact CG-CG 4.18Å; F297-S302 WeakPolarHBondContact CB-OG 2.96Å; F297-Y305 HydrophobicContact CD2-CD2 4.23Å; F297-Y305 HydrophobicContact CD2-CE2 4.35Å; F297-Y305 HydrophobicContact CE2-CD2 4.17Å; F297-Y305 HydrophobicContact CE2-CE2 4.13Å; F297-M393 HydrophobicContact CD2-CB 3.97Å; F297-M393 HydrophobicContact CD2-CG 3.8Å; F297-M393 HydrophobicContact CD2-SD 3.9Å; F297-M393 HydrophobicContact CE2-CG 4.12Å; F297-M393 HydrophobicContact CE2-SD 4.17Å; F297-M393 PolarHBondContact N-O 3.25Å
298	D	97.1	Very high	94.6	Very high	92 Å²	92	50.2 Å²	50.2	49%	0.492	23%	0.231	S	C	.	.			trans	-71.3	164.3	167.7	59.6	35	0	0	0	110.6	A300 R301 S302	D298-A300 PolarHBondContact O-N 3.49Å; D298-A300 PolarHBondContact OD1-N 3.2Å; D298-R301 PolarHBondContact O-N 2.93Å; D298-R301 WeakPolarHBondContact OD1-CB 3.42Å; D298-R301 PolarHBondContact OD1-N 2.87Å; D298-S302 WeakPolarHBondContact O-CB 3.24Å; D298-S302 PolarHBondContact O-N 3.48Å; D298-S302 PolarHBondContact O-OG 3.31Å
299	E	98	Very high	95	Very high	44 Å²	44	48.4 Å²	48.4	21%	0.206	22%	0.222	C	C	.	.	H	α-helix	trans	-63.3	-32.1	-176.9	-63.4	-171.7	-170.4	0	0	112.5	R303 M394 S424 A427 F460	E299-R303 WeakPolarHBondContact O-CB 3.25Å; E299-R303 PolarHBondContact O-N 3.42Å; E299-M394 HydrophobicContact CB-SD 4.48Å; E299-M394 HydrophobicContact CG-SD 3.99Å; E299-S424 VanDerWaalsContact CD-OG 3.29Å; E299-S424 WeakPolarHBondContact OE1-CB 3.2Å; E299-S424 PolarHBondContact OE1-N 2.92Å; E299-S424 PolarHBondContact OE1-OG 3.07Å; E299-S424 VanDerWaalsContact OE2-CB 3.29Å; E299-S424 WeakPolarHBondContact OE2-CB 3.33Å; E299-S424 PolarHBondContact OE2-OG 2.82Å; E299-A427 HydrophobicContact CG-CB 4.45Å; E299-F460 HydrophobicContact CB-CE2 4.46Å
300	A	98.1	Very high	95.5	Very high	55 Å²	55	46.3 Å²	46.3	46%	0.455	21%	0.213	S	C	.	.	H	α-helix	trans	-66.7	-44.9	179.2	0	0	0	0	0	111.6	D298 R303 F304	D298-A300 PolarHBondContact O-N 3.49Å; D298-A300 PolarHBondContact OD1-N 3.2Å; A300-R303 PolarHBondContact O-N 3.26Å; A300-F304 PolarHBondContact O-N 3.5Å; A300-F304 VanDerWaalsContact O-N 3.08Å
301	R	98.1	Very high	95.9	Very high	50 Å²	50	46.1 Å²	46.1	19%	0.189	21%	0.212	C	C	.	.	H	α-helix	trans	-65.8	-45.7	174.8	-177.9	-177.8	-57	-179.9	4.1	111.4	F297 D298 R303 F304 Y305 P477	F297-R301 HydrophobicContact CB-CB 4.25Å; F297-R301 HydrophobicContact CB-CG 4.19Å; F297-R301 HydrophobicContact CD2-CG 4.33Å; F297-R301 HydrophobicContact CG-CG 4.18Å; D298-R301 PolarHBondContact O-N 2.93Å; D298-R301 WeakPolarHBondContact OD1-CB 3.42Å; D298-R301 PolarHBondContact OD1-N 2.87Å; R301-R303 VanDerWaalsContact C-N 3.31Å; R301-R303 PolarHBondContact O-N 2.86Å; R301-F304 PolarHBondContact O-N 3.43Å; R301-Y305 HydrophobicContact CG-CD2 3.86Å; R301-Y305 HydrophobicContact CG-CE2 3.39Å; R301-Y305 PolarHBondContact O-N 3.1Å; R301-Y305 VanDerWaalsContact O-N 3.1Å; R301-P477 HydrophobicContact CB-CB 4.2Å; R301-P477 HydrophobicContact CB-CG 4.12Å; R301-P477 HydrophobicContact CG-CB 4.23Å; R301-P477 HydrophobicContact CG-CG 3.76Å
302	S	98.4	Very high	96.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.3	-40.7	176.8	-61.2	0	0	0	0	111.9	F297 D298 A306 M393 M394	F297-S302 WeakPolarHBondContact CB-OG 2.96Å; D298-S302 WeakPolarHBondContact O-CB 3.24Å; D298-S302 PolarHBondContact O-N 3.48Å; D298-S302 PolarHBondContact O-OG 3.31Å; S302-A306 WeakPolarHBondContact O-CB 3.31Å; S302-A306 PolarHBondContact O-N 2.93Å; S302-M393 WeakPolarHBondContact OG-CB 3.45Å; S302-M394 VanDerWaalsContact OG-CG 3.31Å; S302-M394 WeakPolarHBondContact OG-CG 3.32Å
303	R	98.7	Very high	96.9	Very high	26 Å²	26	39.2 Å²	39.2	10%	0.098	18%	0.18	C	C	.	.	H	α-helix	trans	-62.4	-44.6	175.6	-175.9	-166.7	-56.3	132.3	0.4	112.4	E299 A300 R301 A307 F460 F461 E463 I464	E299-R303 WeakPolarHBondContact O-CB 3.25Å; E299-R303 PolarHBondContact O-N 3.42Å; A300-R303 PolarHBondContact O-N 3.26Å; R301-R303 VanDerWaalsContact C-N 3.31Å; R301-R303 PolarHBondContact O-N 2.86Å; R303-A307 VanDerWaalsContact O-CB 3.31Å; R303-A307 WeakPolarHBondContact O-CB 3.45Å; R303-A307 PolarHBondContact O-N 2.68Å; R303-F460 HydrophobicContact CB-CD1 4.39Å; R303-F460 HydrophobicContact CB-CE1 3.62Å; R303-F460 HydrophobicContact CB-CZ 3.82Å; R303-F460 WeakPolarHBondContact CD-O 3.45Å; R303-F460 HydrophobicContact CG-CD1 4.11Å; R303-F460 HydrophobicContact CG-CE1 3.82Å; R303-F460 HydrophobicContact CG-CZ 4.39Å; R303-F460 WeakPolarHBondContact CG-O 3.34Å; R303-F460 PolarHBondContact NE-O 3.5Å; R303-F461 HydrophobicContact CG-CD1 3.89Å; R303-F461 HydrophobicContact CG-CE1 4.3Å; R303-E463 IonicContact CZ-OE2 3.02Å; R303-E463 IonicContact NH1-OE1 3.35Å; R303-E463 IonicContact NH1-OE2 3.93Å; R303-E463 PolarHBondContact NH1-OE2 2.93Å; R303-I464 HydrophobicContact CG-CD1 4.14Å; R303-I464 HydrophobicContact CG-CG1 4.02Å
304	F	98.8	Very high	97.4	Very high	11 Å²	11	31.5 Å²	31.5	5%	0.048	15%	0.152	C	C	.	.	H	α-helix	trans	-60.3	-53.4	178.4	177.8	-90.1	0	0	0	111.2	A300 R301 A306 A307 E308 H338 I474 P476 P477	A300-F304 PolarHBondContact O-N 3.5Å; A300-F304 VanDerWaalsContact O-N 3.08Å; R301-F304 PolarHBondContact O-N 3.43Å; F304-A306 PolarHBondContact O-N 3Å; F304-A307 WeakPolarHBondContact O-CB 3.25Å; F304-A307 PolarHBondContact O-N 2.93Å; F304-E308 HydrophobicContact CE1-CG 4.28Å; F304-E308 VanDerWaalsContact CE1-OE1 3.29Å; F304-E308 WeakPolarHBondContact CE1-OE1 3.48Å; F304-E308 WeakPolarHBondContact CE1-OE2 3.44Å; F304-E308 HydrophobicContact CZ-CG 4.39Å; F304-E308 WeakPolarHBondContact CZ-OE1 3.21Å; F304-E308 PolarHBondContact O-N 2.99Å; F304-E308 VanDerWaalsContact O-N 3.15Å; F304-H338 AromaticContact CZ-ND1 3.78Å; F304-I474 HydrophobicContact CD2-CG2 3.95Å; F304-I474 HydrophobicContact CE2-CB 4.04Å; F304-I474 HydrophobicContact CE2-CG2 3.63Å; F304-P476 HydrophobicContact CE1-CB 4.03Å; F304-P476 HydrophobicContact CE1-CG 4.34Å; F304-P476 HydrophobicContact CZ-CB 3.99Å; F304-P476 HydrophobicContact CZ-CG 3.94Å; F304-P477 HydrophobicContact CB-CG 4.12Å; F304-P477 HydrophobicContact CD1-CG 3.84Å; F304-P477 HydrophobicContact CG-CG 4.05Å
305	Y	98.8	Very high	97.9	Very high	3 Å²	3	30.3 Å²	30.3	1%	0.012	14%	0.141	C	C	.	.	H	α-helix	trans	-65.2	-40.8	179.7	-63.4	-37.2	0	0	0	112.7	L287 F297 R301 A307 E308 V309 L333 G337 C339 M393 P477	L287-Y305 HydrophobicContact CD1-CD2 4.32Å; L287-Y305 HydrophobicContact CD1-CG 4.43Å; L287-Y305 HydrophobicContact CD2-CD2 3.97Å; L287-Y305 HydrophobicContact CD2-CE2 3.83Å; L287-Y305 HydrophobicContact CD2-CG 4.46Å; F297-Y305 HydrophobicContact CD2-CD2 4.23Å; F297-Y305 HydrophobicContact CD2-CE2 4.35Å; F297-Y305 HydrophobicContact CE2-CD2 4.17Å; F297-Y305 HydrophobicContact CE2-CE2 4.13Å; R301-Y305 HydrophobicContact CG-CD2 3.86Å; R301-Y305 HydrophobicContact CG-CE2 3.39Å; R301-Y305 PolarHBondContact O-N 3.1Å; R301-Y305 VanDerWaalsContact O-N 3.1Å; Y305-A307 VanDerWaalsContact C-N 3.26Å; Y305-A307 PolarHBondContact O-N 2.92Å; Y305-E308 PolarHBondContact O-N 3.16Å; Y305-V309 VanDerWaalsContact O-CG2 3.31Å; Y305-V309 WeakPolarHBondContact O-CG2 2.99Å; Y305-V309 PolarHBondContact O-N 2.71Å; Y305-L333 HydrophobicContact CD1-CD2 4.44Å; Y305-L333 HydrophobicContact CE1-CD2 3.8Å; Y305-G337 WeakPolarHBondContact CE1-O 2.96Å; Y305-C339 WeakPolarHBondContact CD1-SG 3.2Å; Y305-M393 HydrophobicContact CD2-SD 4.35Å; Y305-P477 HydrophobicContact CE1-CG 4.38Å
306	A	98.8	Very high	98.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.4	-35.1	175.1	0	0	0	0	0	112.3	S302 F304 T310 L386 M390 M393 F461	S302-A306 WeakPolarHBondContact O-CB 3.31Å; S302-A306 PolarHBondContact O-N 2.93Å; F304-A306 PolarHBondContact O-N 3Å; A306-T310 VanDerWaalsContact O-CB 3.28Å; A306-T310 WeakPolarHBondContact O-CB 3.44Å; A306-T310 PolarHBondContact O-N 3.43Å; A306-T310 PolarHBondContact O-OG1 3.23Å; A306-L386 HydrophobicContact CB-CD1 4.43Å; A306-M390 HydrophobicContact CB-CE 4.08Å; A306-M390 HydrophobicContact CB-CG 3.71Å; A306-M390 HydrophobicContact CB-SD 3.73Å; A306-M393 HydrophobicContact CB-CE 4.43Å; A306-F461 HydrophobicContact CB-CE1 4.01Å; A306-F461 HydrophobicContact CB-CZ 4.1Å
307	A	98.9	Very high	98.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-67.6	-44	176.4	0	0	0	0	0	112.1	R303 F304 Y305 T310 S311 F461 I464 W466 L469	R303-A307 VanDerWaalsContact O-CB 3.31Å; R303-A307 WeakPolarHBondContact O-CB 3.45Å; R303-A307 PolarHBondContact O-N 2.68Å; F304-A307 WeakPolarHBondContact O-CB 3.25Å; F304-A307 PolarHBondContact O-N 2.93Å; Y305-A307 VanDerWaalsContact C-N 3.26Å; Y305-A307 PolarHBondContact O-N 2.92Å; A307-T310 WeakPolarHBondContact O-CB 3.28Å; A307-T310 PolarHBondContact O-N 3.01Å; A307-S311 PolarHBondContact O-N 3.12Å; A307-F461 HydrophobicContact CB-CD1 4.17Å; A307-F461 HydrophobicContact CB-CE1 4.14Å; A307-I464 HydrophobicContact CB-CD1 4.32Å; A307-I464 HydrophobicContact CB-CG1 4.04Å; A307-I464 HydrophobicContact CB-CG2 4Å; A307-W466 HydrophobicContact CB-CH2 3.97Å; A307-W466 HydrophobicContact CB-CZ3 4.09Å; A307-L469 HydrophobicContact CB-CD1 4.27Å; A307-L469 HydrophobicContact CB-CD2 3.83Å; A307-L469 WeakPolarHBondContact O-CD2 3.44Å
308	E	98.8	Very high	98.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.4	-43.2	176.7	-65.3	-171.5	148.2	0	0	112	Y261 F304 Y305 S311 A312 H338 C339 L469	Y261-E308 HydrophobicContact CD1-CB 3.98Å; Y261-E308 HydrophobicContact CD1-CG 4.1Å; Y261-E308 HydrophobicContact CD2-CB 4.14Å; Y261-E308 HydrophobicContact CD2-CG 4.47Å; Y261-E308 HydrophobicContact CE1-CB 4.08Å; Y261-E308 HydrophobicContact CE1-CG 3.68Å; Y261-E308 WeakPolarHBondContact CE1-OE1 3.49Å; Y261-E308 HydrophobicContact CE2-CB 4.26Å; Y261-E308 HydrophobicContact CE2-CG 4.11Å; Y261-E308 HydrophobicContact CG-CB 4.01Å; Y261-E308 HydrophobicContact CG-CG 4.48Å; Y261-E308 PolarHBondContact OH-OE1 2.89Å; F304-E308 HydrophobicContact CE1-CG 4.28Å; F304-E308 VanDerWaalsContact CE1-OE1 3.29Å; F304-E308 WeakPolarHBondContact CE1-OE1 3.48Å; F304-E308 WeakPolarHBondContact CE1-OE2 3.44Å; F304-E308 HydrophobicContact CZ-CG 4.39Å; F304-E308 WeakPolarHBondContact CZ-OE1 3.21Å; F304-E308 PolarHBondContact O-N 2.99Å; F304-E308 VanDerWaalsContact O-N 3.15Å; Y305-E308 PolarHBondContact O-N 3.16Å; E308-S311 PolarHBondContact O-N 3.13Å; E308-A312 PolarHBondContact O-N 3.23Å; E308-H338 IonicContact OE1-CE1 2.74Å; E308-H338 IonicContact OE1-CG 2.74Å; E308-H338 IonicContact OE1-ND1 3.24Å; E308-H338 PolarHBondContact OE1-ND1 3.44Å; E308-C339 HydrophobicContact CB-CB 4.02Å; E308-C339 VanDerWaalsContact OE2-CB 3.31Å; E308-C339 WeakPolarHBondContact OE2-CB 3.36Å; E308-C339 PolarHBondContact OE2-N 3.12Å; E308-C339 PolarHBondContact OE2-SG 3.03Å; E308-L469 HydrophobicContact CG-CD1 3.79Å; E308-L469 HydrophobicContact CG-CG 4.42Å
309	V	98.8	Very high	98.4	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	11%	0.112	C	C	.	.	H	α-helix	trans	-63	-41.9	174.2	174	0	0	0	0	110.9	Y305 S311 A312 L313 L326 I331 L341 L386	Y305-V309 VanDerWaalsContact O-CG2 3.31Å; Y305-V309 WeakPolarHBondContact O-CG2 2.99Å; Y305-V309 PolarHBondContact O-N 2.71Å; V309-S311 PolarHBondContact O-N 3.39Å; V309-A312 PolarHBondContact O-N 3.02Å; V309-L313 HydrophobicContact CG1-CD1 3.96Å; V309-L313 HydrophobicContact CG1-CG 4.25Å; V309-L313 WeakPolarHBondContact O-CG 3.24Å; V309-L313 PolarHBondContact O-N 2.61Å; V309-L326 HydrophobicContact CG1-CD1 3.74Å; V309-L326 HydrophobicContact CG1-CD2 4.09Å; V309-I331 HydrophobicContact CG2-CD1 3.93Å; V309-I331 HydrophobicContact CG2-CG1 4.27Å; V309-I331 HydrophobicContact CG2-CG2 4.4Å; V309-L341 HydrophobicContact CG2-CD2 4.46Å; V309-L386 HydrophobicContact CB-CD1 4.33Å; V309-L386 HydrophobicContact CG1-CD1 3.88Å
310	T	98.8	Very high	98.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.7	-47.2	175.9	-61.7	0	0	0	0	111.4	A306 A307 A312 L313 M314 W383 L386 I455 W466	A306-T310 VanDerWaalsContact O-CB 3.28Å; A306-T310 WeakPolarHBondContact O-CB 3.44Å; A306-T310 PolarHBondContact O-N 3.43Å; A306-T310 PolarHBondContact O-OG1 3.23Å; A307-T310 WeakPolarHBondContact O-CB 3.28Å; A307-T310 PolarHBondContact O-N 3.01Å; T310-A312 VanDerWaalsContact C-N 3.31Å; T310-A312 PolarHBondContact O-N 3.38Å; T310-L313 PolarHBondContact O-N 3.24Å; T310-M314 HydrophobicContact CG2-CE 3.89Å; T310-M314 HydrophobicContact CG2-CG 4.45Å; T310-M314 HydrophobicContact CG2-SD 3.9Å; T310-M314 WeakPolarHBondContact O-CB 3.31Å; T310-M314 WeakPolarHBondContact O-CG 3.39Å; T310-M314 PolarHBondContact O-N 2.8Å; T310-W383 HydrophobicContact CG2-CH2 4.02Å; T310-W383 HydrophobicContact CG2-CZ3 4.03Å; T310-L386 WeakPolarHBondContact OG1-CD2 3.42Å; T310-I455 HydrophobicContact CG2-CB 4.5Å; T310-I455 HydrophobicContact CG2-CG2 3.76Å; T310-W466 HydrophobicContact CG2-CH2 3.92Å; T310-W466 HydrophobicContact CG2-CZ3 4.06Å
311	S	98.7	Very high	98.4	Very high	6 Å²	6	18.2 Å²	18.2	4%	0.042	8%	0.082	C	C	.	.	H	α-helix	trans	-57.9	-45	176.9	172.4	0	0	0	0	111.1	H259 A307 E308 V309 F315 D470	H259-S311 PolarHBondContact CE1-OG 2.76Å; H259-S311 VanDerWaalsContact CE1-OG 3.32Å; H259-S311 PolarHBondContact NE2-OG 2.82Å; A307-S311 PolarHBondContact O-N 3.12Å; E308-S311 PolarHBondContact O-N 3.13Å; V309-S311 PolarHBondContact O-N 3.39Å; S311-F315 PolarHBondContact O-N 3.49Å; S311-F315 VanDerWaalsContact O-N 3.1Å; S311-D470 WeakPolarHBondContact CB-OD1 3.24Å; S311-D470 PolarHBondContact OG-OD1 2.91Å
312	A	98.6	Very high	98.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-64.9	-43.1	177.9	0	0	0	0	0	113.9	L262 E308 V309 T310 F315 L316 L341	L262-A312 HydrophobicContact CD2-CB 3.76Å; L262-A312 HydrophobicContact CG-CB 4.33Å; E308-A312 PolarHBondContact O-N 3.23Å; V309-A312 PolarHBondContact O-N 3.02Å; T310-A312 VanDerWaalsContact C-N 3.31Å; T310-A312 PolarHBondContact O-N 3.38Å; A312-F315 PolarHBondContact O-N 2.54Å; A312-L316 WeakPolarHBondContact O-CG 3.29Å; A312-L316 PolarHBondContact O-N 3.18Å; A312-L316 VanDerWaalsContact O-N 3.13Å; A312-L341 HydrophobicContact CB-CD1 3.55Å; A312-L341 HydrophobicContact CB-CG 4.36Å
313	L	98.7	Very high	98.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.4	-45	177.2	-71.5	174.9	0	0	0	111.6	V309 T310 F315 L316 H317 Y323 L326 D382 W383	V309-L313 HydrophobicContact CG1-CD1 3.96Å; V309-L313 HydrophobicContact CG1-CG 4.25Å; V309-L313 WeakPolarHBondContact O-CG 3.24Å; V309-L313 PolarHBondContact O-N 2.61Å; T310-L313 PolarHBondContact O-N 3.24Å; L313-F315 VanDerWaalsContact C-N 3.27Å; L313-F315 PolarHBondContact O-N 3.47Å; L313-L316 WeakPolarHBondContact O-CB 3.49Å; L313-L316 PolarHBondContact O-N 3.12Å; L313-H317 PolarHBondContact O-CD2 3.37Å; L313-H317 PolarHBondContact O-N 2.95Å; L313-Y323 HydrophobicContact CD2-CD1 4.5Å; L313-Y323 HydrophobicContact CD2-CG 4.34Å; L313-L326 HydrophobicContact CD1-CD2 4.23Å; L313-D382 HydrophobicContact CD1-CB 4.26Å; L313-D382 HydrophobicContact CD2-CB 4.11Å; L313-W383 HydrophobicContact CB-CH2 3.84Å; L313-W383 HydrophobicContact CB-CZ2 4.47Å; L313-W383 HydrophobicContact CB-CZ3 4.2Å; L313-W383 HydrophobicContact CD1-CE3 4.34Å; L313-W383 HydrophobicContact CD1-CH2 4.4Å; L313-W383 HydrophobicContact CD1-CZ3 3.93Å
314	M	98.3	Very high	98.3	Very high	18 Å²	18	16 Å²	16	9%	0.089	7%	0.074	C	C	.	.	H	α-helix	trans	-56.5	-42.3	175	-76.2	171.1	162.2	0	0	111.8	T310 L316 H317 Q318 W383 E452 I455 K456	T310-M314 HydrophobicContact CG2-CE 3.89Å; T310-M314 HydrophobicContact CG2-CG 4.45Å; T310-M314 HydrophobicContact CG2-SD 3.9Å; T310-M314 WeakPolarHBondContact O-CB 3.31Å; T310-M314 WeakPolarHBondContact O-CG 3.39Å; T310-M314 PolarHBondContact O-N 2.8Å; M314-L316 PolarHBondContact O-N 3.33Å; M314-H317 PolarHBondContact O-N 3.35Å; M314-Q318 VanDerWaalsContact O-CB 3.27Å; M314-Q318 WeakPolarHBondContact O-CB 3.29Å; M314-Q318 PolarHBondContact O-N 2.85Å; M314-W383 HydrophobicContact CG-CH2 3.94Å; M314-W383 HydrophobicContact CG-CZ2 4.14Å; M314-E452 VanDerWaalsContact CE-C 3.47Å; M314-E452 HydrophobicContact CE-CB 3.59Å; M314-E452 WeakPolarHBondContact CE-O 3.32Å; M314-E452 HydrophobicContact CG-CB 4.3Å; M314-I455 HydrophobicContact CE-CB 4.31Å; M314-I455 HydrophobicContact CE-CD1 4.3Å; M314-K456 HydrophobicContact CE-CD 4.44Å; M314-K456 HydrophobicContact CE-CG 4.06Å; M314-K456 WeakPolarHBondContact SD-CE 3.26Å
315	F	98.3	Very high	98.1	Very high	26 Å²	26	16 Å²	16	11%	0.114	8%	0.075	C	C	.	.	H	α-helix	trans	-60.5	-44.8	175	173.3	-90.2	0	0	0	111.9	L255 K258 H259 L262 S311 A312 L313 H319	L255-F315 HydrophobicContact CD1-CZ 4.18Å; L255-F315 HydrophobicContact CG-CE1 4.17Å; L255-F315 HydrophobicContact CG-CZ 4.3Å; K258-F315 HydrophobicContact CB-CE2 4.3Å; K258-F315 HydrophobicContact CB-CZ 4Å; H259-F315 HydrophobicContact CB-CD1 3.96Å; H259-F315 HydrophobicContact CB-CD2 4.33Å; H259-F315 HydrophobicContact CB-CE1 4.12Å; H259-F315 HydrophobicContact CB-CE2 4.47Å; H259-F315 HydrophobicContact CB-CG 4.07Å; H259-F315 HydrophobicContact CB-CZ 4.38Å; H259-F315 AromaticContact CD2-CD2 3.69Å; H259-F315 AromaticContact CD2-CG 3.56Å; H259-F315 AromaticContact CG-CG 3.93Å; L262-F315 HydrophobicContact CD1-CD1 3.64Å; L262-F315 HydrophobicContact CD1-CE1 3.89Å; S311-F315 PolarHBondContact O-N 3.49Å; S311-F315 VanDerWaalsContact O-N 3.1Å; A312-F315 PolarHBondContact O-N 2.54Å; L313-F315 VanDerWaalsContact C-N 3.27Å; L313-F315 PolarHBondContact O-N 3.47Å; F315-H319 AromaticContact CD2-CE1 3.72Å; F315-H319 AromaticContact CD2-ND1 3.98Å; F315-H319 AromaticContact CE2-CE1 3.29Å; F315-H319 WeakPolarHBondContact CE2-CE1 3.42Å; F315-H319 AromaticContact CE2-ND1 3.81Å; F315-H319 AromaticContact CZ-CE1 3.62Å; F315-H319 AromaticContact CZ-ND1 3.88Å; F315-H319 PolarHBondContact O-N 3.36Å; F315-H319 PolarHBondContact O-ND1 2.8Å
316	L	98.3	Very high	98.1	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.6	-48.3	177.4	-68.5	174.9	0	0	0	111.5	I252 L262 A312 L313 M314 Q318 H319 G320 V321 Y323 F344	I252-L316 HydrophobicContact CG2-CD2 4.32Å; L262-L316 HydrophobicContact CD1-CD2 3.85Å; L262-L316 HydrophobicContact CD1-CG 4.18Å; L262-L316 HydrophobicContact CD2-CD1 4.27Å; L262-L316 HydrophobicContact CD2-CG 4.49Å; A312-L316 WeakPolarHBondContact O-CG 3.29Å; A312-L316 PolarHBondContact O-N 3.18Å; A312-L316 VanDerWaalsContact O-N 3.13Å; L313-L316 WeakPolarHBondContact O-CB 3.49Å; L313-L316 PolarHBondContact O-N 3.12Å; M314-L316 PolarHBondContact O-N 3.33Å; L316-Q318 VanDerWaalsContact C-N 3.33Å; L316-Q318 PolarHBondContact O-N 3.3Å; L316-H319 CarbonylContact O-C 3.59Å; L316-H319 WeakPolarHBondContact O-CA 3.25Å; L316-H319 PolarHBondContact O-N 2.97Å; L316-G320 PolarHBondContact O-N 2.88Å; L316-V321 CarbonylContact C-O 3.6Å; L316-V321 HydrophobicContact CB-CB 4.12Å; L316-V321 HydrophobicContact CB-CG1 4.36Å; L316-V321 WeakPolarHBondContact CB-O 3.22Å; L316-V321 HydrophobicContact CD2-CB 4.3Å; L316-V321 HydrophobicContact CD2-CG1 4.13Å; L316-V321 PolarHBondContact O-N 3.46Å; L316-Y323 HydrophobicContact CD1-CD2 4.03Å; L316-Y323 HydrophobicContact CD1-CG 4.4Å; L316-F344 HydrophobicContact CD1-CE1 4.3Å; L316-F344 HydrophobicContact CD2-CE1 4.4Å
317	H	98.1	Very high	97.9	Very high	10 Å²	10	17.7 Å²	17.7	5%	0.046	8%	0.082	C	C	.	.	H	α-helix	trans	-61.6	-40	-179.9	-61.7	169.6	0	0	0	112	L313 M314 H319 G320 V321 P379 D382 W383 E452	L313-H317 PolarHBondContact O-CD2 3.37Å; L313-H317 PolarHBondContact O-N 2.95Å; M314-H317 PolarHBondContact O-N 3.35Å; H317-H319 PolarHBondContact O-N 2.79Å; H317-G320 PolarHBondContact O-N 2.93Å; H317-V321 PolarHBondContact CD2-O 3.49Å; H317-V321 PolarHBondContact N-O 3.22Å; H317-P379 HydrophobicContact CB-CG 4.48Å; H317-D382 IonicContact CD2-OD2 3.57Å; H317-D382 IonicContact NE2-OD2 2.69Å; H317-D382 PolarHBondContact NE2-OD2 3.15Å; H317-W383 AromaticContact CE1-CE2 3.68Å; H317-W383 AromaticContact CE1-CZ2 3.68Å; H317-W383 AromaticContact CE1-NE1 3.72Å; H317-W383 AromaticContact ND1-CE2 3.83Å; H317-W383 AromaticContact ND1-CZ2 3.56Å; H317-W383 AromaticContact ND1-NE1 3.81Å; H317-E452 IonicContact CE1-OE1 3.09Å; H317-E452 IonicContact CG-OE1 2.78Å; H317-E452 IonicContact ND1-OE1 2.7Å; H317-E452 PolarHBondContact ND1-OE1 3.44Å
318	Q	96.9	Very high	97.7	Very high	150 Å²	150	17.7 Å²	17.7	70%	0.701	8%	0.082	S	C	*	.	H	α-helix	trans	-60.2	-28.4	175	-172.9	178.7	16.3	0	0	112.6	M314 L316	M314-Q318 VanDerWaalsContact O-CB 3.27Å; M314-Q318 WeakPolarHBondContact O-CB 3.29Å; M314-Q318 PolarHBondContact O-N 2.85Å; L316-Q318 VanDerWaalsContact C-N 3.33Å; L316-Q318 PolarHBondContact O-N 3.3Å
319	H	97.6	Very high	97.4	Very high	76 Å²	76	21.2 Å²	21.2	35%	0.352	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	11.3	175.8	-66.2	85.1	0	0	0	113.2	L255 F315 L316 H317	L255-H319 HydrophobicContact CD2-CB 3.56Å; F315-H319 AromaticContact CD2-CE1 3.72Å; F315-H319 AromaticContact CD2-ND1 3.98Å; F315-H319 AromaticContact CE2-CE1 3.29Å; F315-H319 WeakPolarHBondContact CE2-CE1 3.42Å; F315-H319 AromaticContact CE2-ND1 3.81Å; F315-H319 AromaticContact CZ-CE1 3.62Å; F315-H319 AromaticContact CZ-ND1 3.88Å; F315-H319 PolarHBondContact O-N 3.36Å; F315-H319 PolarHBondContact O-ND1 2.8Å; L316-H319 CarbonylContact O-C 3.59Å; L316-H319 WeakPolarHBondContact O-CA 3.25Å; L316-H319 PolarHBondContact O-N 2.97Å; H317-H319 PolarHBondContact O-N 2.79Å
320	G	97.7	Very high	97.2	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.01	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	24.4	176.6	0	0	0	0	0	114.8	L316 H317 E349 G350 I351	L316-G320 PolarHBondContact O-N 2.88Å; H317-G320 PolarHBondContact O-N 2.93Å; G320-E349 CarbonylContact O-C 3.59Å; G320-E349 WeakPolarHBondContact O-CA 3.38Å; G320-G350 PolarHBondContact O-N 2.96Å; G320-I351 WeakPolarHBondContact CA-O 3.25Å; G320-I351 PolarHBondContact O-N 3.32Å
321	V	98.3	Very high	97.2	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.024	10%	0.104	C	C	.	.			trans	-110.2	123	179.8	178.9	0	0	0	0	109.3	I252 L255 L316 H317 C347 K348 E349	I252-V321 HydrophobicContact CD1-CG1 3.69Å; I252-V321 HydrophobicContact CD1-CG2 4.33Å; I252-V321 HydrophobicContact CG1-CG1 4.14Å; I252-V321 HydrophobicContact CG1-CG2 4.08Å; I252-V321 HydrophobicContact CG2-CG1 4.11Å; L255-V321 HydrophobicContact CD2-CG2 4.3Å; L316-V321 CarbonylContact C-O 3.6Å; L316-V321 HydrophobicContact CB-CB 4.12Å; L316-V321 HydrophobicContact CB-CG1 4.36Å; L316-V321 WeakPolarHBondContact CB-O 3.22Å; L316-V321 HydrophobicContact CD2-CB 4.3Å; L316-V321 HydrophobicContact CD2-CG1 4.13Å; L316-V321 PolarHBondContact O-N 3.46Å; H317-V321 PolarHBondContact CD2-O 3.49Å; H317-V321 PolarHBondContact N-O 3.22Å; V321-C347 HydrophobicContact CG1-CB 3.98Å; V321-K348 CarbonylContact C-O 3.43Å; V321-K348 VanDerWaalsContact CA-O 3.28Å; V321-K348 WeakPolarHBondContact CA-O 3.35Å; V321-E349 HydrophobicContact CG2-CB 4.22Å
322	V	98.1	Very high	97.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-98.3	132.1	168.1	-170.6	0	0	0	0	108.4	R324 C347 K348 I351 P379 V381 D382	V322-R324 HydrophobicContact CB-CG 4.08Å; V322-R324 HydrophobicContact CG1-CG 3.53Å; V322-C347 CarbonylContact O-C 3.53Å; V322-C347 WeakPolarHBondContact O-CA 3.27Å; V322-K348 PolarHBondContact N-O 3.16Å; V322-K348 PolarHBondContact O-N 3.07Å; V322-I351 HydrophobicContact CG2-CB 3.81Å; V322-I351 HydrophobicContact CG2-CG1 3.89Å; V322-I351 HydrophobicContact CG2-CG2 3.68Å; V322-P379 HydrophobicContact CG2-CG 4.18Å; V322-V381 HydrophobicContact CG1-CG2 3.82Å; V322-D382 VanDerWaalsContact CG1-OD2 3.25Å; V322-D382 WeakPolarHBondContact CG1-OD2 3.36Å
323	Y	97.9	Very high	97	Very high	1 Å²	1	23.2 Å²	23.2	0%	0.004	11%	0.111	C	C	.	.			trans	-78.7	-47.6	-170.9	-177.3	-107.2	0	0	0	113.3	L313 L316 D325 L326 N330 A342 D343 F344 C347 D382	L313-Y323 HydrophobicContact CD2-CD1 4.5Å; L313-Y323 HydrophobicContact CD2-CG 4.34Å; L316-Y323 HydrophobicContact CD1-CD2 4.03Å; L316-Y323 HydrophobicContact CD1-CG 4.4Å; Y323-D325 VanDerWaalsContact C-N 3.25Å; Y323-D325 VanDerWaalsContact CE1-O 3.31Å; Y323-D325 WeakPolarHBondContact CE1-O 3.29Å; Y323-D325 PolarHBondContact O-N 2.97Å; Y323-D325 VanDerWaalsContact O-N 3.13Å; Y323-L326 HydrophobicContact CD1-CB 4.02Å; Y323-L326 HydrophobicContact CD1-CD1 4.38Å; Y323-L326 HydrophobicContact CE1-CB 4.13Å; Y323-L326 HydrophobicContact CE1-CD1 4.18Å; Y323-N330 WeakPolarHBondContact OH-CB 3.32Å; Y323-N330 PolarHBondContact OH-ND2 3.28Å; Y323-A342 PolarHBondContact OH-O 3.16Å; Y323-D343 PolarHBondContact OH-O 3.37Å; Y323-F344 HydrophobicContact CD2-CD1 4.09Å; Y323-F344 HydrophobicContact CD2-CE1 4.27Å; Y323-F344 AromaticContact CE2-CD1 3.99Å; Y323-F344 HydrophobicContact CE2-CD1 3.99Å; Y323-F344 HydrophobicContact CE2-CE1 4.12Å; Y323-C347 WeakPolarHBondContact CD2-SG 3.48Å; Y323-C347 PolarHBondContact O-SG 2.86Å; Y323-D382 WeakPolarHBondContact CB-OD2 3.34Å; Y323-D382 PolarHBondContact N-OD2 2.86Å
324	R	97.1	Very high	96.8	Very high	30 Å²	30	24.1 Å²	24.1	11%	0.113	12%	0.116	C	C	.	.			trans	65	-1.7	170.4	-51.8	-171.5	-60.4	173.9	1.5	118.6	V322 M346 C361 Y377 V381 D382	V322-R324 HydrophobicContact CB-CG 4.08Å; V322-R324 HydrophobicContact CG1-CG 3.53Å; R324-M346 PolarHBondContact NE-O 2.76Å; R324-M346 PolarHBondContact NH2-O 2.97Å; R324-C361 VanDerWaalsContact CZ-SG 3.55Å; R324-Y377 PolarHBondContact NH1-OH 3.13Å; R324-V381 HydrophobicContact CG-CG2 4.25Å; R324-D382 WeakPolarHBondContact CA-OD1 3.4Å; R324-D382 PolarHBondContact N-OD1 3.02Å
325	D	95.6	Very high	96.5	Very high	11 Å²	11	25.4 Å²	25.4	6%	0.059	13%	0.129	C	C	.	.			trans	-133.8	43.6	175.1	-163.4	39	0	0	0	112.2	Y323 K327 N330 M346 T363	Y323-D325 VanDerWaalsContact C-N 3.25Å; Y323-D325 VanDerWaalsContact CE1-O 3.31Å; Y323-D325 WeakPolarHBondContact CE1-O 3.29Å; Y323-D325 PolarHBondContact O-N 2.97Å; Y323-D325 VanDerWaalsContact O-N 3.13Å; D325-K327 VanDerWaalsContact CG-NZ 3.31Å; D325-K327 PolarHBondContact O-N 2.9Å; D325-K327 IonicContact OD1-NZ 2.58Å; D325-K327 PolarHBondContact OD1-NZ 3.01Å; D325-K327 VanDerWaalsContact OD1-NZ 3.07Å; D325-K327 VanDerWaalsContact OD2-CE 3.31Å; D325-K327 WeakPolarHBondContact OD2-CE 3.22Å; D325-K327 IonicContact OD2-NZ 2.72Å; D325-K327 PolarHBondContact OD2-NZ 3.45Å; D325-N330 PolarHBondContact O-ND2 2.65Å; D325-N330 PolarHBondContact OD2-ND2 2.78Å; D325-M346 HydrophobicContact CB-CB 3.79Å; D325-M346 HydrophobicContact CB-CG 3.93Å; D325-T363 PolarHBondContact OD1-OG1 3.14Å
326	L	97.8	Very high	96.4	Very high	2 Å²	2	28 Å²	28	1%	0.01	14%	0.144	C	C	.	.			trans	-70.9	121.8	175.1	-168.5	73.1	0	0	0	110.3	V309 L313 Y323 I331 L341 Y366 A385 L386 L389	V309-L326 HydrophobicContact CG1-CD1 3.74Å; V309-L326 HydrophobicContact CG1-CD2 4.09Å; L313-L326 HydrophobicContact CD1-CD2 4.23Å; Y323-L326 HydrophobicContact CD1-CB 4.02Å; Y323-L326 HydrophobicContact CD1-CD1 4.38Å; Y323-L326 HydrophobicContact CE1-CB 4.13Å; Y323-L326 HydrophobicContact CE1-CD1 4.18Å; L326-I331 HydrophobicContact CD1-CD1 4.18Å; L326-I331 HydrophobicContact CD1-CG1 4.39Å; L326-L341 HydrophobicContact CD1-CD2 3.66Å; L326-Y366 WeakPolarHBondContact O-CD1 3.24Å; L326-Y366 VanDerWaalsContact O-CG 3.27Å; L326-A385 HydrophobicContact CB-CB 3.89Å; L326-A385 HydrophobicContact CD2-CB 4.26Å; L326-L386 HydrophobicContact CD2-CB 3.94Å; L326-L386 HydrophobicContact CD2-CD1 4.25Å; L326-L389 HydrophobicContact CD2-CD2 4.21Å; L326-L389 HydrophobicContact CG-CD2 4.4Å
327	K	95.3	Very high	96.3	Very high	36 Å²	36	28 Å²	28	16%	0.157	14%	0.144	C	C	.	.	S	Bend	trans	-160.5	166.1	176.1	59.7	-176.4	161.8	-145.8	0	110.2	D325 D329 N330 T363 Y366	D325-K327 VanDerWaalsContact CG-NZ 3.31Å; D325-K327 PolarHBondContact O-N 2.9Å; D325-K327 IonicContact OD1-NZ 2.58Å; D325-K327 PolarHBondContact OD1-NZ 3.01Å; D325-K327 VanDerWaalsContact OD1-NZ 3.07Å; D325-K327 VanDerWaalsContact OD2-CE 3.31Å; D325-K327 WeakPolarHBondContact OD2-CE 3.22Å; D325-K327 IonicContact OD2-NZ 2.72Å; D325-K327 PolarHBondContact OD2-NZ 3.45Å; K327-D329 VanDerWaalsContact C-N 3.28Å; K327-D329 HydrophobicContact CD-CB 4.22Å; K327-D329 HydrophobicContact CG-CB 4.25Å; K327-D329 PolarHBondContact O-N 3.24Å; K327-N330 VanDerWaalsContact CE-CG 3.41Å; K327-N330 VanDerWaalsContact CE-ND2 3.26Å; K327-N330 WeakPolarHBondContact CE-ND2 3.22Å; K327-N330 VanDerWaalsContact CE-OD1 3.28Å; K327-N330 WeakPolarHBondContact CE-OD1 3.35Å; K327-N330 HydrophobicContact CG-CB 4.05Å; K327-N330 PolarHBondContact O-N 3.28Å; K327-T363 HydrophobicContact CD-CG2 4.37Å; K327-T363 WeakPolarHBondContact CD-OG1 3.2Å; K327-T363 PolarHBondContact NZ-OG1 2.9Å; K327-Y366 HydrophobicContact CB-CD1 4.47Å; K327-Y366 HydrophobicContact CB-CD2 4.05Å; K327-Y366 HydrophobicContact CB-CE1 4.18Å; K327-Y366 HydrophobicContact CB-CE2 3.78Å; K327-Y366 HydrophobicContact CB-CG 4.39Å
328	L	94.4	Very high	96.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-58.5	-37.2	-179.8	-70.2	170.8	0	0	0	113.3	L287 M288 I291 N330 I331 Y366 L389 E392 M393	L287-L328 HydrophobicContact CB-CB 4.33Å; L287-L328 HydrophobicContact CB-CD2 3.75Å; L287-L328 HydrophobicContact CD1-CD2 4.32Å; L287-L328 PolarHBondContact N-O 3.25Å; M288-L328 HydrophobicContact CB-CB 3.82Å; M288-L328 HydrophobicContact CE-CB 4.29Å; M288-L328 HydrophobicContact CE-CD1 4.18Å; M288-L328 HydrophobicContact SD-CD1 4.46Å; I291-L328 HydrophobicContact CD1-CD1 4.27Å; I291-L328 HydrophobicContact CG2-CD1 3.88Å; L328-N330 VanDerWaalsContact C-N 3.25Å; L328-N330 PolarHBondContact O-N 3.18Å; L328-I331 PolarHBondContact O-N 3.36Å; L328-Y366 PolarHBondContact N-OH 3.47Å; L328-L389 HydrophobicContact CB-CD1 4.48Å; L328-L389 HydrophobicContact CD2-CD1 3.7Å; L328-L389 HydrophobicContact CD2-CG 4.47Å; L328-L389 HydrophobicContact CG-CD1 3.82Å; L328-E392 HydrophobicContact CD1-CB 4.48Å; L328-E392 HydrophobicContact CD1-CG 3.88Å; L328-E392 VanDerWaalsContact CD1-OE1 3.32Å; L328-E392 WeakPolarHBondContact CD1-OE1 3.44Å; L328-M393 HydrophobicContact CD2-CG 3.89Å
329	D	92.1	Very high	96.3	Very high	74 Å²	74	20.9 Å²	20.9	40%	0.396	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-65.1	-27.9	-179.7	-52.9	-100.7	0	0	0	113.2	K327	K327-D329 VanDerWaalsContact C-N 3.28Å; K327-D329 HydrophobicContact CD-CB 4.22Å; K327-D329 HydrophobicContact CG-CB 4.25Å; K327-D329 PolarHBondContact O-N 3.24Å
330	N	95.8	Very high	96.4	Very high	13 Å²	13	17.6 Å²	17.6	7%	0.07	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-91.7	-1.4	-177.1	-75	0.2	0	0	0	113.2	Y323 D325 K327 L328 A342	Y323-N330 WeakPolarHBondContact OH-CB 3.32Å; Y323-N330 PolarHBondContact OH-ND2 3.28Å; D325-N330 PolarHBondContact O-ND2 2.65Å; D325-N330 PolarHBondContact OD2-ND2 2.78Å; K327-N330 VanDerWaalsContact CE-CG 3.41Å; K327-N330 VanDerWaalsContact CE-ND2 3.26Å; K327-N330 WeakPolarHBondContact CE-ND2 3.22Å; K327-N330 VanDerWaalsContact CE-OD1 3.28Å; K327-N330 WeakPolarHBondContact CE-OD1 3.35Å; K327-N330 HydrophobicContact CG-CB 4.05Å; K327-N330 PolarHBondContact O-N 3.28Å; L328-N330 VanDerWaalsContact C-N 3.25Å; L328-N330 PolarHBondContact O-N 3.18Å; N330-A342 PolarHBondContact O-N 3.17Å
331	I	97.6	Very high	96.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	102.9	176.2	-57.8	157.9	0	0	0	108.5	D286 L287 V309 L326 L328 C339 L341 L389	D286-I331 CarbonylContact C-O 3.59Å; D286-I331 WeakPolarHBondContact CA-O 3.49Å; L287-I331 HydrophobicContact CB-CB 4.48Å; L287-I331 HydrophobicContact CD1-CB 3.79Å; L287-I331 HydrophobicContact CD1-CD1 3.96Å; L287-I331 HydrophobicContact CD1-CG1 4.5Å; L287-I331 HydrophobicContact CD1-CG2 3.49Å; L287-I331 VanDerWaalsContact CD1-CG2 3.49Å; L287-I331 HydrophobicContact CG-CB 3.92Å; L287-I331 HydrophobicContact CG-CG2 3.74Å; L287-I331 PolarHBondContact N-O 2.76Å; V309-I331 HydrophobicContact CG2-CD1 3.93Å; V309-I331 HydrophobicContact CG2-CG1 4.27Å; V309-I331 HydrophobicContact CG2-CG2 4.4Å; L326-I331 HydrophobicContact CD1-CD1 4.18Å; L326-I331 HydrophobicContact CD1-CG1 4.39Å; L328-I331 PolarHBondContact O-N 3.36Å; I331-C339 HydrophobicContact CG2-CB 3.86Å; I331-C339 VanDerWaalsContact CG2-SG 3.51Å; I331-L341 HydrophobicContact CG1-CD2 3.58Å; I331-L389 HydrophobicContact CD1-CD1 3.65Å; I331-L389 HydrophobicContact CD1-CD2 3.39Å; I331-L389 HydrophobicContact CD1-CG 4.13Å
332	L	96.6	Very high	96.2	Very high	35 Å²	35	18.1 Å²	18.1	18%	0.183	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	158.3	177.8	-50.8	-176.2	0	0	0	111	V282 G285 D286 C339 K340 A342	V282-L332 HydrophobicContact CB-CB 4.09Å; V282-L332 HydrophobicContact CB-CD1 3.92Å; V282-L332 HydrophobicContact CG1-CB 3.54Å; V282-L332 HydrophobicContact CG1-CD1 4.32Å; V282-L332 HydrophobicContact CG2-CD1 4.37Å; G285-L332 CarbonylContact O-C 3.58Å; G285-L332 WeakPolarHBondContact O-CA 3.43Å; D286-L332 HydrophobicContact CB-CD2 3.77Å; L332-C339 CarbonylContact O-C 3.46Å; L332-C339 VanDerWaalsContact O-CA 3.31Å; L332-C339 WeakPolarHBondContact O-CA 3.44Å; L332-K340 HydrophobicContact CB-CB 4.23Å; L332-K340 PolarHBondContact N-O 3.3Å; L332-K340 PolarHBondContact O-N 2.81Å; L332-A342 HydrophobicContact CD1-CB 3.77Å; L332-A342 HydrophobicContact CG-CB 3.95Å
333	L	95.9	Very high	95.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131	171.7	-65.1	-177.4	0	0	0	111	V282 G284 G285 L287 Q290 Y305 H338 F478 P480	V282-L333 WeakPolarHBondContact CG1-O 3.19Å; G284-L333 WeakPolarHBondContact CA-O 3.1Å; G284-L333 PolarHBondContact N-O 2.8Å; G285-L333 PolarHBondContact O-N 3.23Å; L287-L333 HydrophobicContact CD2-CD1 4.01Å; L287-L333 HydrophobicContact CD2-CD2 3.81Å; L287-L333 HydrophobicContact CD2-CG 3.93Å; Q290-L333 HydrophobicContact CG-CD1 3.89Å; Y305-L333 HydrophobicContact CD1-CD2 4.44Å; Y305-L333 HydrophobicContact CE1-CD2 3.8Å; L333-H338 WeakPolarHBondContact CA-O 3.46Å; L333-F478 HydrophobicContact CD1-CD1 3.91Å; L333-F478 HydrophobicContact CD1-CE1 4.07Å; L333-P480 HydrophobicContact CB-CG 4.1Å; L333-P480 HydrophobicContact CD1-CG 4.35Å
334	D	94.6	Very high	95.5	Very high	20 Å²	20	21.5 Å²	21.5	11%	0.107	12%	0.118	C	C	.	.			trans	-75.4	-179.5	170.9	75.4	13.4	0	0	0	112.6	V282 D336 G337 H338 K472 P480	V282-D334 HydrophobicContact CG1-CB 4.44Å; D334-D336 PolarHBondContact O-N 3.43Å; D334-D336 WeakPolarHBondContact OD1-CA 3.31Å; D334-D336 PolarHBondContact OD1-N 3.29Å; D334-G337 PolarHBondContact O-N 3.37Å; D334-G337 VanDerWaalsContact O-N 3.09Å; D334-G337 PolarHBondContact OD1-N 3.04Å; D334-H338 PolarHBondContact N-O 3.06Å; D334-H338 PolarHBondContact OD1-N 3.04Å; D334-K472 IonicContact OD2-NZ 2.67Å; D334-K472 PolarHBondContact OD2-NZ 3.27Å; D334-P480 WeakPolarHBondContact O-CG 3.39Å
335	A	93.5	Very high	95.2	Very high	44 Å²	44	21.2 Å²	21.2	36%	0.364	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.4	-177	0	0	0	0	0	114.5	K479 I482	A335-K479 WeakPolarHBondContact O-CE 3.31Å; A335-I482 HydrophobicContact CB-CD1 3.9Å
336	D	94.9	Very high	94.9	Very high	81 Å²	81	24.7 Å²	24.7	43%	0.433	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-17.7	176	-70.4	-48.7	0	0	0	112.4	D334 P476 K479	D334-D336 PolarHBondContact O-N 3.43Å; D334-D336 WeakPolarHBondContact OD1-CA 3.31Å; D334-D336 PolarHBondContact OD1-N 3.29Å; D336-P476 WeakPolarHBondContact O-CG 3.32Å; D336-K479 IonicContact OD1-NZ 2.8Å; D336-K479 PolarHBondContact OD1-NZ 3.11Å
337	G	96.3	Very high	94.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	102.9	16.7	176.7	0	0	0	0	0	114.5	Y305 D334 F478	Y305-G337 WeakPolarHBondContact CE1-O 2.96Å; D334-G337 PolarHBondContact O-N 3.37Å; D334-G337 VanDerWaalsContact O-N 3.09Å; D334-G337 PolarHBondContact OD1-N 3.04Å; G337-F478 WeakPolarHBondContact CA-O 3.24Å
338	H	98.1	Very high	94.7	Very high	10 Å²	10	27.1 Å²	27.1	5%	0.046	15%	0.153	C	C	.	.			trans	-82.9	149.7	172.1	-67.7	-86.1	0	0	0	111.2	Y261 F304 E308 L333 D334 K472 I474 P476	Y261-H338 HydrophobicContact CE1-CB 4.15Å; Y261-H338 AromaticContact CE1-ND1 3.86Å; F304-H338 AromaticContact CZ-ND1 3.78Å; E308-H338 IonicContact OE1-CE1 2.74Å; E308-H338 IonicContact OE1-CG 2.74Å; E308-H338 IonicContact OE1-ND1 3.24Å; E308-H338 PolarHBondContact OE1-ND1 3.44Å; L333-H338 WeakPolarHBondContact CA-O 3.46Å; D334-H338 PolarHBondContact N-O 3.06Å; D334-H338 PolarHBondContact OD1-N 3.04Å; H338-K472 WeakPolarHBondContact CD2-CE 3.31Å; H338-I474 PolarHBondContact CE1-O 3.2Å; H338-I474 VanDerWaalsContact CE1-O 3.23Å; H338-P476 VanDerWaalsContact CD2-CG 3.45Å; H338-P476 WeakPolarHBondContact CD2-CG 3.26Å; H338-P476 VanDerWaalsContact NE2-CG 3.34Å; H338-P476 WeakPolarHBondContact NE2-CG 3.31Å
339	C	98.2	Very high	94.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	146.7	176.9	-72.6	0	0	0	0	112.9	Y261 Y305 E308 I331 L332	Y261-C339 WeakPolarHBondContact CA-O 3.28Å; Y261-C339 WeakPolarHBondContact CD1-O 3.34Å; Y305-C339 WeakPolarHBondContact CD1-SG 3.2Å; E308-C339 HydrophobicContact CB-CB 4.02Å; E308-C339 VanDerWaalsContact OE2-CB 3.31Å; E308-C339 WeakPolarHBondContact OE2-CB 3.36Å; E308-C339 PolarHBondContact OE2-N 3.12Å; E308-C339 PolarHBondContact OE2-SG 3.03Å; I331-C339 HydrophobicContact CG2-CB 3.86Å; I331-C339 VanDerWaalsContact CG2-SG 3.51Å; L332-C339 CarbonylContact O-C 3.46Å; L332-C339 VanDerWaalsContact O-CA 3.31Å; L332-C339 WeakPolarHBondContact O-CA 3.44Å
340	K	97.9	Very high	95	Very high	7 Å²	7	29.2 Å²	29.2	3%	0.03	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	108.9	168.3	-72.8	-70.4	-167.2	163.3	0	108	P260 Y261 L262 E280 V282 L332 A342	P260-K340 WeakPolarHBondContact O-CD 3.5Å; P260-K340 WeakPolarHBondContact O-CE 3.35Å; P260-K340 PolarHBondContact O-NZ 3.03Å; Y261-K340 WeakPolarHBondContact O-CA 3.44Å; L262-K340 PolarHBondContact O-NZ 3.45Å; E280-K340 WeakPolarHBondContact OE1-CE 3.34Å; E280-K340 IonicContact OE1-NZ 2.64Å; E280-K340 PolarHBondContact OE1-NZ 3.46Å; E280-K340 WeakPolarHBondContact OE2-CE 3.19Å; E280-K340 IonicContact OE2-NZ 3.64Å; E280-K340 PolarHBondContact OE2-NZ 3.28Å; V282-K340 HydrophobicContact CG1-CB 4.24Å; V282-K340 HydrophobicContact CG1-CG 4.18Å; V282-K340 HydrophobicContact CG2-CB 4.17Å; V282-K340 HydrophobicContact CG2-CG 4.03Å; L332-K340 HydrophobicContact CB-CB 4.23Å; L332-K340 PolarHBondContact N-O 3.3Å; L332-K340 PolarHBondContact O-N 2.81Å; K340-A342 PolarHBondContact O-N 2.95Å
341	L	97.7	Very high	95	Very high	1 Å²	1	29 Å²	29	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	127.1	169.4	-69.2	174.7	0	0	0	109.2	Y261 L262 T263 V309 A312 L326 I331	Y261-L341 PolarHBondContact O-N 3.04Å; L262-L341 HydrophobicContact CD2-CB 3.82Å; L262-L341 HydrophobicContact CD2-CD1 3.9Å; L262-L341 HydrophobicContact CD2-CG 4.36Å; T263-L341 WeakPolarHBondContact CB-O 3.47Å; T263-L341 PolarHBondContact N-O 3.25Å; T263-L341 PolarHBondContact OG1-O 2.72Å; V309-L341 HydrophobicContact CG2-CD2 4.46Å; A312-L341 HydrophobicContact CB-CD1 3.55Å; A312-L341 HydrophobicContact CB-CG 4.36Å; L326-L341 HydrophobicContact CD1-CD2 3.66Å; I331-L341 HydrophobicContact CG1-CD2 3.58Å
342	A	94	Very high	94.9	Very high	15 Å²	15	32.6 Å²	32.6	12%	0.124	19%	0.192	C	C	.	.			trans	-116.9	176.6	179.4	0	0	0	0	0	110.8	T263 Y323 N330 L332 K340	T263-A342 WeakPolarHBondContact OG1-CA 3.27Å; Y323-A342 PolarHBondContact OH-O 3.16Å; N330-A342 PolarHBondContact O-N 3.17Å; L332-A342 HydrophobicContact CD1-CB 3.77Å; L332-A342 HydrophobicContact CG-CB 3.95Å; K340-A342 PolarHBondContact O-N 2.95Å
343	D	90.1	Very high	94.5	Very high	70 Å²	70	39 Å²	39	37%	0.374	23%	0.226	S	C	.	.			trans	52.8	90.4	176.5	-154.3	7	0	0	0	115.7	K230 Y323	K230-D343 IonicContact NZ-OD1 2.65Å; K230-D343 PolarHBondContact NZ-OD1 3.46Å; Y323-D343 PolarHBondContact OH-O 3.37Å
344	F	92.4	Very high	94.2	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.009	26%	0.262	C	S	.	.			trans	-98.3	14.9	-178.8	-60	-95.2	0	0	0	112.6	E249 I252 L253 A256 L262 L316 Y323 M346 C347	E249-F344 HydrophobicContact CG-CB 4.12Å; I252-F344 HydrophobicContact CG2-CB 4.08Å; I252-F344 HydrophobicContact CG2-CD1 3.5Å; I252-F344 HydrophobicContact CG2-CE1 4.2Å; I252-F344 HydrophobicContact CG2-CG 3.98Å; L253-F344 HydrophobicContact CD2-CD2 3.41Å; L253-F344 VanDerWaalsContact CD2-CD2 3.41Å; L253-F344 HydrophobicContact CD2-CE2 3.59Å; L253-F344 HydrophobicContact CD2-CG 4.45Å; L253-F344 HydrophobicContact CG-CD2 3.81Å; L253-F344 HydrophobicContact CG-CE2 4.42Å; L253-F344 HydrophobicContact CG-CG 4.45Å; A256-F344 HydrophobicContact CB-CZ 4.22Å; L262-F344 HydrophobicContact CB-CZ 4.22Å; L262-F344 HydrophobicContact CD2-CE1 4.09Å; L262-F344 HydrophobicContact CD2-CZ 4Å; L316-F344 HydrophobicContact CD1-CE1 4.3Å; L316-F344 HydrophobicContact CD2-CE1 4.4Å; Y323-F344 HydrophobicContact CD2-CD1 4.09Å; Y323-F344 HydrophobicContact CD2-CE1 4.27Å; Y323-F344 AromaticContact CE2-CD1 3.99Å; Y323-F344 HydrophobicContact CE2-CD1 3.99Å; Y323-F344 HydrophobicContact CE2-CE1 4.12Å; F344-M346 PolarHBondContact O-N 3.08Å; F344-C347 VanDerWaalsContact CA-SG 3.58Å; F344-C347 WeakPolarHBondContact O-CB 3.43Å; F344-C347 PolarHBondContact O-N 2.77Å; F344-C347 VanDerWaalsContact O-N 3.16Å; F344-C347 PolarHBondContact O-SG 2.82Å
345	G	89.9	Confident	94.3	Very high	25 Å²	25	45.4 Å²	45.4	26%	0.258	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-23.2	-176.3	0	0	0	0	0	114.4
346	M	89.9	Confident	94.5	Very high	84 Å²	84	46.3 Å²	46.3	41%	0.414	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-1.2	178.5	-67.2	-65.4	-178.6	0	0	113.4	R324 D325 F344 C361	R324-M346 PolarHBondContact NE-O 2.76Å; R324-M346 PolarHBondContact NH2-O 2.97Å; D325-M346 HydrophobicContact CB-CB 3.79Å; D325-M346 HydrophobicContact CB-CG 3.93Å; F344-M346 PolarHBondContact O-N 3.08Å; M346-C361 HydrophobicContact SD-CB 4.3Å
347	C	94.6	Very high	94.4	Very high	9 Å²	9	43.1 Å²	43.1	6%	0.061	27%	0.265	C	S	.	.			trans	-69.2	154.1	-175.5	-61.6	0	0	0	0	112.6	I252 V321 V322 Y323 F344	I252-C347 HydrophobicContact CD1-CB 3.32Å; V321-C347 HydrophobicContact CG1-CB 3.98Å; V322-C347 CarbonylContact O-C 3.53Å; V322-C347 WeakPolarHBondContact O-CA 3.27Å; Y323-C347 WeakPolarHBondContact CD2-SG 3.48Å; Y323-C347 PolarHBondContact O-SG 2.86Å; F344-C347 VanDerWaalsContact CA-SG 3.58Å; F344-C347 WeakPolarHBondContact O-CB 3.43Å; F344-C347 PolarHBondContact O-N 2.77Å; F344-C347 VanDerWaalsContact O-N 3.16Å; F344-C347 PolarHBondContact O-SG 2.82Å
348	K	95.1	Very high	94.2	Very high	79 Å²	79	47.4 Å²	47.4	34%	0.343	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-123.3	119.5	174.2	-170.5	68	174.2	-179.8	0	110	V321 V322 I351 T357	V321-K348 CarbonylContact C-O 3.43Å; V321-K348 VanDerWaalsContact CA-O 3.28Å; V321-K348 WeakPolarHBondContact CA-O 3.35Å; V322-K348 PolarHBondContact N-O 3.16Å; V322-K348 PolarHBondContact O-N 3.07Å; K348-I351 HydrophobicContact CB-CG1 4.32Å; K348-I351 HydrophobicContact CG-CD1 3.85Å; K348-I351 HydrophobicContact CG-CG1 3.87Å; K348-T357 HydrophobicContact CG-CG2 4.28Å
349	E	95.5	Very high	93.7	Very high	69 Å²	69	49.9 Å²	49.9	32%	0.322	31%	0.307	S	S	.	.			trans	-89.7	165.6	172.2	67.8	179.2	-163.6	0	0	112.2	T248 R251 G320 V321	T248-E349 HydrophobicContact CG2-CB 4.4Å; T248-E349 HydrophobicContact CG2-CG 3.88Å; R251-E349 IonicContact CZ-OE1 3.54Å; R251-E349 IonicContact CZ-OE2 3.91Å; R251-E349 IonicContact NE-OE1 3.24Å; R251-E349 PolarHBondContact NE-OE1 3.47Å; R251-E349 IonicContact NE-OE2 3.07Å; R251-E349 PolarHBondContact NE-OE2 3.03Å; R251-E349 VanDerWaalsContact NE-OE2 3.13Å; R251-E349 IonicContact NH2-OE1 3.57Å; R251-E349 PolarHBondContact NH2-OE1 2.92Å; R251-E349 IonicContact NH2-OE2 3.73Å; G320-E349 CarbonylContact O-C 3.59Å; G320-E349 WeakPolarHBondContact O-CA 3.38Å; V321-E349 HydrophobicContact CG2-CB 4.22Å
350	G	95.7	Very high	93.3	Very high	49 Å²	49	55.4 Å²	55.4	51%	0.505	33%	0.332	S	S	.	.			trans	84.7	10.2	177.2	0	0	0	0	0	115	G320 L352 V355	G320-G350 PolarHBondContact O-N 2.96Å; G350-L352 PolarHBondContact O-N 2.89Å; G350-V355 WeakPolarHBondContact O-CG1 3.38Å
351	I	96.8	Very high	92.7	Very high	9 Å²	9	55.9 Å²	55.9	5%	0.046	34%	0.336	C	S	.	.			trans	-91.8	76.1	-177.6	-51.6	-56	0	0	0	109.5	G320 V322 K348 V355	G320-I351 WeakPolarHBondContact CA-O 3.25Å; G320-I351 PolarHBondContact O-N 3.32Å; V322-I351 HydrophobicContact CG2-CB 3.81Å; V322-I351 HydrophobicContact CG2-CG1 3.89Å; V322-I351 HydrophobicContact CG2-CG2 3.68Å; K348-I351 HydrophobicContact CB-CG1 4.32Å; K348-I351 HydrophobicContact CG-CD1 3.85Å; K348-I351 HydrophobicContact CG-CG1 3.87Å; I351-V355 HydrophobicContact CD1-CG1 4.12Å; I351-V355 VanDerWaalsContact CG2-O 3.25Å; I351-V355 WeakPolarHBondContact CG2-O 3.21Å
352	L	94.1	Very high	92.1	Very high	76 Å²	76	57.1 Å²	57.1	40%	0.398	35%	0.349	S	S	.	.			trans	-131.6	161.8	176.3	-71.7	169.1	0	0	0	110.7	G350 G354 V355	G350-L352 PolarHBondContact O-N 2.89Å; L352-G354 PolarHBondContact O-N 3.11Å; L352-G354 VanDerWaalsContact O-N 3.16Å; L352-V355 VanDerWaalsContact O-CB 3.31Å; L352-V355 WeakPolarHBondContact O-CB 3.33Å; L352-V355 VanDerWaalsContact O-CG2 3.24Å; L352-V355 WeakPolarHBondContact O-CG2 3.48Å; L352-V355 PolarHBondContact O-N 3.41Å
353	N	90.3	Very high	91.7	Very high	169 Å²	169	57.9 Å²	57.9	90%	0.904	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	38.5	170	-55.9	-37.4	0	0	0	114
354	G	88.9	Confident	91.7	Very high	74 Å²	74	56.4 Å²	56.4	76%	0.763	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	3.1	179.4	0	0	0	0	0	115.2	L352	L352-G354 PolarHBondContact O-N 3.11Å; L352-G354 VanDerWaalsContact O-N 3.16Å
355	V	96.4	Very high	91.6	Very high	80 Å²	80	59.4 Å²	59.4	49%	0.485	36%	0.362	S	S	.	.			trans	-64.6	136.9	168	176.7	0	0	0	0	109.4	G350 I351 L352	G350-V355 WeakPolarHBondContact O-CG1 3.38Å; I351-V355 HydrophobicContact CD1-CG1 4.12Å; I351-V355 VanDerWaalsContact CG2-O 3.25Å; I351-V355 WeakPolarHBondContact CG2-O 3.21Å; L352-V355 VanDerWaalsContact O-CB 3.31Å; L352-V355 WeakPolarHBondContact O-CB 3.33Å; L352-V355 VanDerWaalsContact O-CG2 3.24Å; L352-V355 WeakPolarHBondContact O-CG2 3.48Å; L352-V355 PolarHBondContact O-N 3.41Å
356	T	96.8	Very high	92	Very high	64 Å²	64	59 Å²	59	39%	0.393	35%	0.353	S	S	.	.			trans	-125.5	174.1	-179.9	55.1	0	0	0	0	111.4	D376 Y377	T356-D376 HydrophobicContact CG2-CB 4.24Å; T356-D376 PolarHBondContact OG1-OD1 3.22Å; T356-Y377 CarbonylContact C-O 3.38Å; T356-Y377 WeakPolarHBondContact CA-O 3.16Å; T356-Y377 WeakPolarHBondContact CB-O 3.49Å
357	T	94.5	Very high	92.2	Very high	14 Å²	14	55.2 Å²	55.2	9%	0.086	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-138.6	165.8	172.1	-162.8	0	0	0	0	111.1	K348 Y377	K348-T357 HydrophobicContact CG-CG2 4.28Å; T357-Y377 HydrophobicContact CG2-CD2 3.95Å; T357-Y377 HydrophobicContact CG2-CE1 4.16Å; T357-Y377 HydrophobicContact CG2-CE2 3.34Å; T357-Y377 VanDerWaalsContact CG2-CZ 3.46Å; T357-Y377 PolarHBondContact N-O 3.43Å; T357-Y377 VanDerWaalsContact O-CD1 3.28Å; T357-Y377 WeakPolarHBondContact O-CD1 3.45Å; T357-Y377 PolarHBondContact O-N 3.23Å
358	T	91.3	Very high	92.4	Very high	89 Å²	89	54.9 Å²	54.9	55%	0.546	33%	0.332	S	S	.	.			trans	-128.7	3.9	-174.5	55.3	0	0	0	0	113.5	F360 D376	T358-F360 PolarHBondContact O-N 3.38Å; T358-D376 WeakPolarHBondContact CG2-OD1 3.17Å
359	T	88.3	Confident	92.5	Very high	63 Å²	63	51.1 Å²	51.1	39%	0.387	32%	0.315	S	S	.	.			trans	-63.3	122.5	-175.7	-51.5	0	0	0	0	110.8	C361 Y377	T359-C361 HydrophobicContact CG2-CB 4.36Å; T359-C361 PolarHBondContact O-N 2.96Å; T359-Y377 WeakPolarHBondContact O-CE1 3.47Å; T359-Y377 PolarHBondContact O-OH 2.99Å
360	F	88.8	Confident	92.7	Very high	116 Å²	116	48 Å²	48	51%	0.509	30%	0.301	S	S	.	.			trans	-74.2	108.5	171.6	-168.3	-80.6	0	0	0	109.7	T358 I367 I371 L372 F409	T358-F360 PolarHBondContact O-N 3.38Å; F360-I367 HydrophobicContact CE1-CD1 4.02Å; F360-I367 HydrophobicContact CE2-CD1 4.12Å; F360-I367 HydrophobicContact CZ-CD1 3.72Å; F360-I371 HydrophobicContact CD2-CG2 3.95Å; F360-I371 HydrophobicContact CE2-CG2 4.35Å; F360-I371 HydrophobicContact CG-CG2 4.38Å; F360-L372 HydrophobicContact CE2-CD2 3.96Å; F360-L372 HydrophobicContact CZ-CD2 3.96Å; F360-F409 HydrophobicContact CZ-CE2 4.47Å
361	C	85.6	Confident	92.7	Very high	17 Å²	17	46 Å²	46	12%	0.115	28%	0.279	C	S	.	.			trans	-157	171.5	-178.4	63	0	0	0	0	111	R324 M346 T359	R324-C361 VanDerWaalsContact CZ-SG 3.55Å; M346-C361 HydrophobicContact SD-CB 4.3Å; T359-C361 HydrophobicContact CG2-CB 4.36Å; T359-C361 PolarHBondContact O-N 2.96Å
362	G	84.8	Confident	92.5	Very high	27 Å²	27	46.9 Å²	46.9	28%	0.278	28%	0.283	S	S	.	.	S	Bend	trans	111.5	172.5	-178.7	0	0	0	0	0	112.7
363	T	86.1	Confident	92.4	Very high	31 Å²	31	48.2 Å²	48.2	19%	0.19	29%	0.288	C	S	.	.			trans	-82.4	132.1	176.8	-60.7	0	0	0	0	109.7	D325 K327 D365 Y366 I367	D325-T363 PolarHBondContact OD1-OG1 3.14Å; K327-T363 HydrophobicContact CD-CG2 4.37Å; K327-T363 WeakPolarHBondContact CD-OG1 3.2Å; K327-T363 PolarHBondContact NZ-OG1 2.9Å; T363-D365 VanDerWaalsContact C-N 3.33Å; T363-D365 PolarHBondContact O-N 3.31Å; T363-Y366 HydrophobicContact CG2-CD2 4.21Å; T363-Y366 PolarHBondContact O-N 3.03Å; T363-I367 PolarHBondContact O-N 3.48Å; T363-I367 VanDerWaalsContact O-N 3.15Å
364	P	90.3	Very high	92.5	Very high	39 Å²	39	48 Å²	48	25%	0.253	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-49.5	-44.5	-172.5	-32.7	37.1	0	0	0	115.4	Y366 I367 L408 F409	P364-Y366 PolarHBondContact O-N 3.43Å; P364-I367 WeakPolarHBondContact O-CG2 3.46Å; P364-I367 PolarHBondContact O-N 3.39Å; P364-L408 HydrophobicContact CB-CD2 4.09Å; P364-F409 HydrophobicContact CB-CE1 4Å; P364-F409 HydrophobicContact CB-CZ 4.38Å
365	D	91	Very high	92.7	Very high	64 Å²	64	48.4 Å²	48.4	34%	0.342	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-68.3	-19.6	-178.3	-53.7	-86.6	0	0	0	113.9	T363 V388	T363-D365 VanDerWaalsContact C-N 3.33Å; T363-D365 PolarHBondContact O-N 3.31Å; D365-V388 WeakPolarHBondContact O-CG1 3.44Å
366	Y	97.2	Very high	92.7	Very high	17 Å²	17	49.7 Å²	49.7	7%	0.067	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-108.2	-4.3	-174.5	-72	-100	0	0	0	113.2	L326 K327 L328 T363 P364 A385 V388 L389 E392	L326-Y366 WeakPolarHBondContact O-CD1 3.24Å; L326-Y366 VanDerWaalsContact O-CG 3.27Å; K327-Y366 HydrophobicContact CB-CD1 4.47Å; K327-Y366 HydrophobicContact CB-CD2 4.05Å; K327-Y366 HydrophobicContact CB-CE1 4.18Å; K327-Y366 HydrophobicContact CB-CE2 3.78Å; K327-Y366 HydrophobicContact CB-CG 4.39Å; L328-Y366 PolarHBondContact N-OH 3.47Å; T363-Y366 HydrophobicContact CG2-CD2 4.21Å; T363-Y366 PolarHBondContact O-N 3.03Å; P364-Y366 PolarHBondContact O-N 3.43Å; Y366-A385 HydrophobicContact CD1-CB 4.39Å; Y366-V388 HydrophobicContact CD1-CB 3.92Å; Y366-V388 HydrophobicContact CD1-CG1 3.67Å; Y366-V388 HydrophobicContact CD2-CG1 4.44Å; Y366-V388 HydrophobicContact CE1-CB 4.26Å; Y366-V388 HydrophobicContact CE1-CG1 3.83Å; Y366-V388 HydrophobicContact CG-CG1 4.03Å; Y366-L389 HydrophobicContact CE1-CB 3.97Å; Y366-L389 HydrophobicContact CE1-CD1 4Å; Y366-E392 PolarHBondContact OH-OE2 3.19Å
367	I	95.2	Very high	92.7	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.026	25%	0.252	C	S	.	.			trans	-68.1	137.3	-173.8	-158.9	165.6	0	0	0	111.1	F360 T363 P364 I371 L372 W384 F409 I412	F360-I367 HydrophobicContact CE1-CD1 4.02Å; F360-I367 HydrophobicContact CE2-CD1 4.12Å; F360-I367 HydrophobicContact CZ-CD1 3.72Å; T363-I367 PolarHBondContact O-N 3.48Å; T363-I367 VanDerWaalsContact O-N 3.15Å; P364-I367 WeakPolarHBondContact O-CG2 3.46Å; P364-I367 PolarHBondContact O-N 3.39Å; I367-I371 HydrophobicContact CD1-CB 4.32Å; I367-I371 HydrophobicContact CD1-CG2 3.79Å; I367-I371 HydrophobicContact CG1-CB 3.93Å; I367-I371 HydrophobicContact CG1-CD1 4.1Å; I367-I371 HydrophobicContact CG1-CG2 3.92Å; I367-L372 HydrophobicContact CD1-CD2 3.91Å; I367-L372 HydrophobicContact CG1-CD2 4.36Å; I367-L372 HydrophobicContact CG2-CD1 3.93Å; I367-L372 HydrophobicContact CG2-CD2 3.74Å; I367-L372 HydrophobicContact CG2-CG 3.84Å; I367-W384 PolarHBondContact O-NE1 2.73Å; I367-F409 HydrophobicContact CG2-CD1 4.3Å; I367-F409 HydrophobicContact CG2-CE1 4.13Å; I367-I412 HydrophobicContact CG2-CD1 3.96Å
368	A	98.1	Very high	92.9	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.008	25%	0.253	C	S	.	.			trans	-80.2	148.8	-178.2	0	0	0	0	0	112.1	E370 I371 L372 V381 W384	A368-E370 HydrophobicContact CB-CG 4.34Å; A368-E370 PolarHBondContact O-N 3.47Å; A368-I371 HydrophobicContact CB-CD1 4.38Å; A368-I371 HydrophobicContact CB-CG1 4.37Å; A368-I371 PolarHBondContact O-N 3.05Å; A368-L372 PolarHBondContact O-N 3.18Å; A368-V381 HydrophobicContact CB-CB 3.96Å; A368-V381 HydrophobicContact CB-CG1 3.92Å; A368-W384 VanDerWaalsContact CA-CD1 3.48Å; A368-W384 HydrophobicContact CB-CB 3.89Å; A368-W384 HydrophobicContact CB-CD2 4.46Å; A368-W384 HydrophobicContact CB-CG 3.77Å
369	P	98.2	Very high	93.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-56	-35	-179.7	-28.4	35.6	0	0	0	114	I371 L372 Q373 W384 I412 L413 K437	P369-I371 VanDerWaalsContact C-N 3.33Å; P369-L372 PolarHBondContact O-N 2.99Å; P369-Q373 WeakPolarHBondContact O-CG 3.21Å; P369-Q373 PolarHBondContact O-N 3.5Å; P369-Q373 VanDerWaalsContact O-N 3.08Å; P369-Q373 PolarHBondContact O-NE2 2.89Å; P369-W384 VanDerWaalsContact CD-CD2 3.49Å; P369-W384 HydrophobicContact CG-CD2 4.32Å; P369-W384 HydrophobicContact CG-CE3 4.02Å; P369-W384 HydrophobicContact CG-CH2 3.53Å; P369-W384 HydrophobicContact CG-CZ2 3.85Å; P369-W384 HydrophobicContact CG-CZ3 3.61Å; P369-I412 HydrophobicContact CG-CG2 3.97Å; P369-L413 HydrophobicContact CB-CD2 4.08Å; P369-K437 HydrophobicContact CG-CB 4.31Å; P369-K437 HydrophobicContact CG-CG 4.24Å
370	E	98.1	Very high	93.6	Very high	3 Å²	3	42 Å²	42	1%	0.014	23%	0.225	C	C	.	.	H	α-helix	trans	-68.7	-28.3	178.4	61.2	-97	-139.9	0	0	113.5	A368 E374 L375 S380 V381 R442	A368-E370 HydrophobicContact CB-CG 4.34Å; A368-E370 PolarHBondContact O-N 3.47Å; E370-E374 PolarHBondContact O-N 2.99Å; E370-L375 HydrophobicContact CB-CB 4.27Å; E370-L375 HydrophobicContact CB-CD1 4.23Å; E370-L375 WeakPolarHBondContact O-CB 3.44Å; E370-L375 PolarHBondContact O-N 3.08Å; E370-S380 PolarHBondContact OE1-OG 3.17Å; E370-V381 HydrophobicContact CG-CG1 3.98Å; E370-R442 IonicContact OE1-CZ 3.13Å; E370-R442 IonicContact OE1-NH1 3.86Å; E370-R442 PolarHBondContact OE1-NH1 3.42Å; E370-R442 IonicContact OE1-NH2 3.22Å; E370-R442 IonicContact OE2-CZ 2.7Å; E370-R442 IonicContact OE2-NH1 3.94Å; E370-R442 PolarHBondContact OE2-NH1 3.26Å; E370-R442 IonicContact OE2-NH2 2.93Å; E370-R442 PolarHBondContact OE2-NH2 2.77Å
371	I	95.6	Very high	94.1	Very high	9 Å²	9	36.7 Å²	36.7	5%	0.046	20%	0.202	C	C	.	.	H	α-helix	trans	-71.7	-43.6	174.5	-58.2	177.2	0	0	0	109.6	F360 I367 A368 P369 Q373 E374 Y377 V381	F360-I371 HydrophobicContact CD2-CG2 3.95Å; F360-I371 HydrophobicContact CE2-CG2 4.35Å; F360-I371 HydrophobicContact CG-CG2 4.38Å; I367-I371 HydrophobicContact CD1-CB 4.32Å; I367-I371 HydrophobicContact CD1-CG2 3.79Å; I367-I371 HydrophobicContact CG1-CB 3.93Å; I367-I371 HydrophobicContact CG1-CD1 4.1Å; I367-I371 HydrophobicContact CG1-CG2 3.92Å; A368-I371 HydrophobicContact CB-CD1 4.38Å; A368-I371 HydrophobicContact CB-CG1 4.37Å; A368-I371 PolarHBondContact O-N 3.05Å; P369-I371 VanDerWaalsContact C-N 3.33Å; I371-Q373 PolarHBondContact O-N 3.24Å; I371-E374 PolarHBondContact O-N 2.95Å; I371-Y377 HydrophobicContact CD1-CE1 4.42Å; I371-Y377 HydrophobicContact CG1-CD1 3.82Å; I371-Y377 HydrophobicContact CG1-CE1 3.86Å; I371-Y377 HydrophobicContact CG1-CG 4.19Å; I371-Y377 HydrophobicContact CG2-CE1 4.48Å; I371-V381 HydrophobicContact CD1-CB 3.99Å; I371-V381 HydrophobicContact CD1-CG1 3.79Å; I371-V381 HydrophobicContact CD1-CG2 4.46Å; I371-V381 HydrophobicContact CG1-CG1 3.81Å
372	L	93.5	Very high	94.7	Very high	26 Å²	26	35.9 Å²	35.9	14%	0.136	20%	0.197	C	C	.	.	H	α-helix	trans	-62.6	-31.6	177	-65.7	178.9	0	0	0	112.9	F360 I367 A368 P369 E374 F409 I412 L413	F360-L372 HydrophobicContact CE2-CD2 3.96Å; F360-L372 HydrophobicContact CZ-CD2 3.96Å; I367-L372 HydrophobicContact CD1-CD2 3.91Å; I367-L372 HydrophobicContact CG1-CD2 4.36Å; I367-L372 HydrophobicContact CG2-CD1 3.93Å; I367-L372 HydrophobicContact CG2-CD2 3.74Å; I367-L372 HydrophobicContact CG2-CG 3.84Å; A368-L372 PolarHBondContact O-N 3.18Å; P369-L372 PolarHBondContact O-N 2.99Å; L372-E374 PolarHBondContact O-N 3.21Å; L372-F409 HydrophobicContact CD1-CB 3.9Å; L372-F409 HydrophobicContact CD1-CD1 4.05Å; L372-F409 HydrophobicContact CD1-CG 4.16Å; L372-F409 HydrophobicContact CD2-CB 4.1Å; L372-F409 HydrophobicContact CD2-CD1 3.62Å; L372-F409 HydrophobicContact CD2-CD2 3.97Å; L372-F409 HydrophobicContact CD2-CE1 3.97Å; L372-F409 HydrophobicContact CD2-CE2 4.3Å; L372-F409 HydrophobicContact CD2-CG 3.61Å; L372-F409 HydrophobicContact CD2-CZ 4.3Å; L372-F409 HydrophobicContact CG-CD1 4.49Å; L372-I412 HydrophobicContact CD1-CB 3.95Å; L372-I412 HydrophobicContact CD1-CD1 4.32Å; L372-I412 HydrophobicContact CD1-CG2 3.68Å; L372-L413 HydrophobicContact CB-CD1 4.38Å; L372-L413 HydrophobicContact CB-CD2 4.03Å; L372-L413 HydrophobicContact CB-CG 4.34Å; L372-L413 HydrophobicContact CD1-CD2 4.4Å; L372-L413 HydrophobicContact CD1-CG 4.16Å
373	Q	91.7	Very high	95.4	Very high	105 Å²	105	34.7 Å²	34.7	49%	0.491	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	4.1	174.4	-73.3	166.6	75.6	0	0	113.5	P369 I371 L375 L413	P369-Q373 WeakPolarHBondContact O-CG 3.21Å; P369-Q373 PolarHBondContact O-N 3.5Å; P369-Q373 VanDerWaalsContact O-N 3.08Å; P369-Q373 PolarHBondContact O-NE2 2.89Å; I371-Q373 PolarHBondContact O-N 3.24Å; Q373-L375 HydrophobicContact CB-CD1 4.05Å; Q373-L375 HydrophobicContact CB-CG 3.79Å; Q373-L375 PolarHBondContact O-N 3.22Å; Q373-L413 HydrophobicContact CG-CD2 3.72Å
374	E	92.8	Very high	96	Very high	163 Å²	163	33.2 Å²	33.2	76%	0.762	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	33.3	-177.8	-55.6	-178.5	177.3	0	0	113.3	E370 I371 L372	E370-E374 PolarHBondContact O-N 2.99Å; I371-E374 PolarHBondContact O-N 2.95Å; L372-E374 PolarHBondContact O-N 3.21Å
375	L	93.5	Very high	96.4	Very high	84 Å²	84	31.7 Å²	31.7	44%	0.44	17%	0.165	S	C	.	.			trans	-84.3	156.3	177.7	-57.5	178	0	0	0	111.1	E370 Q373 Y377	E370-L375 HydrophobicContact CB-CB 4.27Å; E370-L375 HydrophobicContact CB-CD1 4.23Å; E370-L375 WeakPolarHBondContact O-CB 3.44Å; E370-L375 PolarHBondContact O-N 3.08Å; Q373-L375 HydrophobicContact CB-CD1 4.05Å; Q373-L375 HydrophobicContact CB-CG 3.79Å; Q373-L375 PolarHBondContact O-N 3.22Å; L375-Y377 WeakPolarHBondContact O-CD1 3.17Å; L375-Y377 PolarHBondContact O-N 3.04Å
376	D	95.9	Very high	96.8	Very high	107 Å²	107	28.6 Å²	28.6	57%	0.572	15%	0.149	S	C	*	.			trans	-59	130.4	164.4	-80.8	-51.6	0	0	0	110.3	T356 T358	T356-D376 HydrophobicContact CG2-CB 4.24Å; T356-D376 PolarHBondContact OG1-OD1 3.22Å; T358-D376 WeakPolarHBondContact CG2-OD1 3.17Å
377	Y	97.3	Very high	96.9	Very high	5 Å²	5	27.8 Å²	27.8	2%	0.02	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-136	162.6	-179.1	68.5	-99	0	0	0	112.5	R324 T356 T357 T359 I371 L375 V381	R324-Y377 PolarHBondContact NH1-OH 3.13Å; T356-Y377 CarbonylContact C-O 3.38Å; T356-Y377 WeakPolarHBondContact CA-O 3.16Å; T356-Y377 WeakPolarHBondContact CB-O 3.49Å; T357-Y377 HydrophobicContact CG2-CD2 3.95Å; T357-Y377 HydrophobicContact CG2-CE1 4.16Å; T357-Y377 HydrophobicContact CG2-CE2 3.34Å; T357-Y377 VanDerWaalsContact CG2-CZ 3.46Å; T357-Y377 PolarHBondContact N-O 3.43Å; T357-Y377 VanDerWaalsContact O-CD1 3.28Å; T357-Y377 WeakPolarHBondContact O-CD1 3.45Å; T357-Y377 PolarHBondContact O-N 3.23Å; T359-Y377 WeakPolarHBondContact O-CE1 3.47Å; T359-Y377 PolarHBondContact O-OH 2.99Å; I371-Y377 HydrophobicContact CD1-CE1 4.42Å; I371-Y377 HydrophobicContact CG1-CD1 3.82Å; I371-Y377 HydrophobicContact CG1-CE1 3.86Å; I371-Y377 HydrophobicContact CG1-CG 4.19Å; I371-Y377 HydrophobicContact CG2-CE1 4.48Å; L375-Y377 WeakPolarHBondContact O-CD1 3.17Å; L375-Y377 PolarHBondContact O-N 3.04Å; Y377-V381 HydrophobicContact CD2-CB 4.42Å; Y377-V381 HydrophobicContact CD2-CG1 3.53Å; Y377-V381 HydrophobicContact CD2-CG2 4Å; Y377-V381 HydrophobicContact CE2-CG1 4.3Å; Y377-V381 HydrophobicContact CE2-CG2 4.21Å; Y377-V381 HydrophobicContact CG-CG1 3.75Å
378	G	97.3	Very high	97.1	Very high	10 Å²	10	27.6 Å²	27.6	10%	0.103	14%	0.144	C	C	.	.			trans	-139	-143.3	177	0	0	0	0	0	110.5	S380 V381	G378-S380 PolarHBondContact O-N 3.38Å; G378-V381 PolarHBondContact O-N 3.38Å
379	P	97.9	Very high	97.1	Very high	37 Å²	37	27.5 Å²	27.5	24%	0.24	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-15	179.9	-29.4	37.7	0	0	0	116.3	H317 V322 V381 D382	H317-P379 HydrophobicContact CB-CG 4.48Å; V322-P379 HydrophobicContact CG2-CG 4.18Å; P379-V381 PolarHBondContact O-N 3.04Å; P379-V381 VanDerWaalsContact O-N 3.17Å; P379-D382 PolarHBondContact O-N 3.15Å
380	S	98.1	Very high	97.1	Very high	15 Å²	15	27.5 Å²	27.5	11%	0.105	14%	0.144	C	C	.	.	H	α-helix	trans	-57.3	-30.9	-179.3	61.4	0	0	0	0	113.7	E370 G378 D382 W383 W384 R442 C445	E370-S380 PolarHBondContact OE1-OG 3.17Å; G378-S380 PolarHBondContact O-N 3.38Å; S380-D382 VanDerWaalsContact C-N 3.35Å; S380-W383 PolarHBondContact O-N 3.48Å; S380-W384 PolarHBondContact O-N 3.16Å; S380-W384 VanDerWaalsContact O-N 3.15Å; S380-R442 PolarHBondContact O-NH1 2.82Å; S380-C445 VanDerWaalsContact CB-SG 3.54Å
381	V	98.6	Very high	97.1	Very high	5 Å²	5	27.8 Å²	27.8	3%	0.03	15%	0.145	C	C	.	.	H	α-helix	trans	-70.1	-32.7	-176.5	-55.1	0	0	0	0	112	V322 R324 A368 E370 I371 Y377 G378 P379 W384 A385	V322-V381 HydrophobicContact CG1-CG2 3.82Å; R324-V381 HydrophobicContact CG-CG2 4.25Å; A368-V381 HydrophobicContact CB-CB 3.96Å; A368-V381 HydrophobicContact CB-CG1 3.92Å; E370-V381 HydrophobicContact CG-CG1 3.98Å; I371-V381 HydrophobicContact CD1-CB 3.99Å; I371-V381 HydrophobicContact CD1-CG1 3.79Å; I371-V381 HydrophobicContact CD1-CG2 4.46Å; I371-V381 HydrophobicContact CG1-CG1 3.81Å; Y377-V381 HydrophobicContact CD2-CB 4.42Å; Y377-V381 HydrophobicContact CD2-CG1 3.53Å; Y377-V381 HydrophobicContact CD2-CG2 4Å; Y377-V381 HydrophobicContact CE2-CG1 4.3Å; Y377-V381 HydrophobicContact CE2-CG2 4.21Å; Y377-V381 HydrophobicContact CG-CG1 3.75Å; G378-V381 PolarHBondContact O-N 3.38Å; P379-V381 PolarHBondContact O-N 3.04Å; P379-V381 VanDerWaalsContact O-N 3.17Å; V381-W384 PolarHBondContact O-N 2.74Å; V381-A385 PolarHBondContact O-N 3.24Å
382	D	98.8	Very high	97.2	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-71.4	-34.1	176.7	-70.6	-22.3	0	0	0	111.1	L313 H317 V322 Y323 R324 P379 S380 A385 L386	L313-D382 HydrophobicContact CD1-CB 4.26Å; L313-D382 HydrophobicContact CD2-CB 4.11Å; H317-D382 IonicContact CD2-OD2 3.57Å; H317-D382 IonicContact NE2-OD2 2.69Å; H317-D382 PolarHBondContact NE2-OD2 3.15Å; V322-D382 VanDerWaalsContact CG1-OD2 3.25Å; V322-D382 WeakPolarHBondContact CG1-OD2 3.36Å; Y323-D382 WeakPolarHBondContact CB-OD2 3.34Å; Y323-D382 PolarHBondContact N-OD2 2.86Å; R324-D382 WeakPolarHBondContact CA-OD1 3.4Å; R324-D382 PolarHBondContact N-OD1 3.02Å; P379-D382 PolarHBondContact O-N 3.15Å; S380-D382 VanDerWaalsContact C-N 3.35Å; D382-A385 PolarHBondContact O-N 3.02Å; D382-L386 WeakPolarHBondContact O-CB 3.47Å; D382-L386 PolarHBondContact O-N 3.43Å
383	W	98.8	Very high	97.5	Very high	1 Å²	1	27.3 Å²	27.3	0%	0.004	14%	0.142	C	C	.	.	H	α-helix	trans	-69.9	-33.8	174.3	-61.7	128.5	0	0	0	113	T310 L313 M314 H317 S380 L386 G387 F434 E452 I455	T310-W383 HydrophobicContact CG2-CH2 4.02Å; T310-W383 HydrophobicContact CG2-CZ3 4.03Å; L313-W383 HydrophobicContact CB-CH2 3.84Å; L313-W383 HydrophobicContact CB-CZ2 4.47Å; L313-W383 HydrophobicContact CB-CZ3 4.2Å; L313-W383 HydrophobicContact CD1-CE3 4.34Å; L313-W383 HydrophobicContact CD1-CH2 4.4Å; L313-W383 HydrophobicContact CD1-CZ3 3.93Å; M314-W383 HydrophobicContact CG-CH2 3.94Å; M314-W383 HydrophobicContact CG-CZ2 4.14Å; H317-W383 AromaticContact CE1-CE2 3.68Å; H317-W383 AromaticContact CE1-CZ2 3.68Å; H317-W383 AromaticContact CE1-NE1 3.72Å; H317-W383 AromaticContact ND1-CE2 3.83Å; H317-W383 AromaticContact ND1-CZ2 3.56Å; H317-W383 AromaticContact ND1-NE1 3.81Å; S380-W383 PolarHBondContact O-N 3.48Å; W383-L386 HydrophobicContact CE3-CD2 3.75Å; W383-L386 HydrophobicContact CZ3-CD2 3.69Å; W383-G387 PolarHBondContact O-N 3.43Å; W383-F434 HydrophobicContact CB-CD1 4.09Å; W383-F434 HydrophobicContact CB-CE1 4.26Å; W383-F434 HydrophobicContact CD2-CE1 4.41Å; W383-F434 AromaticContact CE3-CE1 3.91Å; W383-F434 HydrophobicContact CE3-CE1 3.91Å; W383-F434 HydrophobicContact CE3-CZ 4.45Å; W383-F434 WeakPolarHBondContact O-CB 3.48Å; W383-F434 WeakPolarHBondContact O-CD1 3.4Å; W383-E452 HydrophobicContact CZ2-CB 4.34Å; W383-E452 HydrophobicContact CZ2-CG 3.96Å; W383-E452 WeakPolarHBondContact CZ2-OE1 3.34Å; W383-E452 PolarHBondContact NE1-OE1 3.42Å; W383-I455 HydrophobicContact CD2-CD1 3.64Å; W383-I455 HydrophobicContact CE3-CD1 3.56Å; W383-I455 HydrophobicContact CG-CD1 4.46Å; W383-I455 HydrophobicContact CH2-CD1 3.64Å; W383-I455 HydrophobicContact CZ2-CD1 3.68Å; W383-I455 HydrophobicContact CZ3-CD1 3.57Å
384	W	98.9	Very high	97.8	Very high	1 Å²	1	22.5 Å²	22.5	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-63.1	-51.4	168.9	171.4	-87	0	0	0	111	I367 A368 P369 S380 V381 L386 G387 V388 F400 I412 M435 K437	I367-W384 PolarHBondContact O-NE1 2.73Å; A368-W384 VanDerWaalsContact CA-CD1 3.48Å; A368-W384 HydrophobicContact CB-CB 3.89Å; A368-W384 HydrophobicContact CB-CD2 4.46Å; A368-W384 HydrophobicContact CB-CG 3.77Å; P369-W384 VanDerWaalsContact CD-CD2 3.49Å; P369-W384 HydrophobicContact CG-CD2 4.32Å; P369-W384 HydrophobicContact CG-CE3 4.02Å; P369-W384 HydrophobicContact CG-CH2 3.53Å; P369-W384 HydrophobicContact CG-CZ2 3.85Å; P369-W384 HydrophobicContact CG-CZ3 3.61Å; S380-W384 PolarHBondContact O-N 3.16Å; S380-W384 VanDerWaalsContact O-N 3.15Å; V381-W384 PolarHBondContact O-N 2.74Å; W384-L386 PolarHBondContact O-N 3.42Å; W384-G387 WeakPolarHBondContact O-CA 3.36Å; W384-G387 PolarHBondContact O-N 2.9Å; W384-V388 PolarHBondContact O-N 3.07Å; W384-F400 HydrophobicContact CH2-CE2 4.11Å; W384-F400 HydrophobicContact CH2-CZ 4.2Å; W384-F400 AromaticContact CZ2-CE2 3.76Å; W384-F400 HydrophobicContact CZ2-CE2 3.76Å; W384-F400 HydrophobicContact CZ2-CZ 4.3Å; W384-I412 HydrophobicContact CZ2-CG2 3.9Å; W384-M435 HydrophobicContact CE3-CB 4.34Å; W384-M435 HydrophobicContact CH2-CB 4.33Å; W384-M435 VanDerWaalsContact CZ3-C 3.5Å; W384-M435 HydrophobicContact CZ3-CB 4.02Å; W384-M435 WeakPolarHBondContact CZ3-O 3.38Å; W384-K437 HydrophobicContact CH2-CG 4.4Å; W384-K437 HydrophobicContact CZ3-CG 4.27Å
385	A	98.8	Very high	97.9	Very high	6 Å²	6	15.2 Å²	15.2	5%	0.05	9%	0.087	C	C	.	.	H	α-helix	trans	-60.8	-34	-179.4	0	0	0	0	0	111.9	L326 Y366 V381 D382 G387 V388 L389	L326-A385 HydrophobicContact CB-CB 3.89Å; L326-A385 HydrophobicContact CD2-CB 4.26Å; Y366-A385 HydrophobicContact CD1-CB 4.39Å; V381-A385 PolarHBondContact O-N 3.24Å; D382-A385 PolarHBondContact O-N 3.02Å; A385-G387 VanDerWaalsContact C-N 3.33Å; A385-G387 PolarHBondContact O-N 3.23Å; A385-V388 PolarHBondContact O-N 2.96Å; A385-L389 WeakPolarHBondContact O-CB 3.41Å; A385-L389 PolarHBondContact O-N 2.78Å
386	L	98.9	Very high	97.9	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.8	-38.6	172.3	-178.8	61.8	0	0	0	111.6	A306 V309 T310 L326 D382 W383 W384 L389 M390 F434	A306-L386 HydrophobicContact CB-CD1 4.43Å; V309-L386 HydrophobicContact CB-CD1 4.33Å; V309-L386 HydrophobicContact CG1-CD1 3.88Å; T310-L386 WeakPolarHBondContact OG1-CD2 3.42Å; L326-L386 HydrophobicContact CD2-CB 3.94Å; L326-L386 HydrophobicContact CD2-CD1 4.25Å; D382-L386 WeakPolarHBondContact O-CB 3.47Å; D382-L386 PolarHBondContact O-N 3.43Å; W383-L386 HydrophobicContact CE3-CD2 3.75Å; W383-L386 HydrophobicContact CZ3-CD2 3.69Å; W384-L386 PolarHBondContact O-N 3.42Å; L386-L389 HydrophobicContact CD1-CD2 4.06Å; L386-L389 PolarHBondContact O-N 2.97Å; L386-M390 HydrophobicContact CD1-CG 4.22Å; L386-M390 HydrophobicContact CD1-SD 4.42Å; L386-M390 HydrophobicContact CG-CG 4.41Å; L386-M390 HydrophobicContact CG-SD 4.13Å; L386-M390 VanDerWaalsContact O-CB 3.31Å; L386-M390 WeakPolarHBondContact O-CB 3.47Å; L386-M390 WeakPolarHBondContact O-CG 3.14Å; L386-M390 PolarHBondContact O-N 3.45Å; L386-F434 HydrophobicContact CD2-CE1 4.24Å; L386-F434 HydrophobicContact CD2-CE2 4.01Å; L386-F434 HydrophobicContact CD2-CZ 3.69Å; L386-F434 HydrophobicContact CG-CE2 4.31Å; L386-F434 HydrophobicContact CG-CZ 4.41Å
387	G	98.8	Very high	97.7	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.4	-45.5	172.7	0	0	0	0	0	112.8	W383 W384 A385 M390 Y391 L431	W383-G387 PolarHBondContact O-N 3.43Å; W384-G387 WeakPolarHBondContact O-CA 3.36Å; W384-G387 PolarHBondContact O-N 2.9Å; A385-G387 VanDerWaalsContact C-N 3.33Å; A385-G387 PolarHBondContact O-N 3.23Å; G387-M390 PolarHBondContact O-N 2.78Å; G387-Y391 WeakPolarHBondContact O-CB 3.18Å; G387-Y391 PolarHBondContact O-N 3.22Å; G387-L431 WeakPolarHBondContact O-CD2 3.18Å
388	V	98.8	Very high	97.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.6	-49.2	175.1	176.6	0	0	0	0	110.8	D365 Y366 W384 A385 M390 Y391 E392 P399 M435	D365-V388 WeakPolarHBondContact O-CG1 3.44Å; Y366-V388 HydrophobicContact CD1-CB 3.92Å; Y366-V388 HydrophobicContact CD1-CG1 3.67Å; Y366-V388 HydrophobicContact CD2-CG1 4.44Å; Y366-V388 HydrophobicContact CE1-CB 4.26Å; Y366-V388 HydrophobicContact CE1-CG1 3.83Å; Y366-V388 HydrophobicContact CG-CG1 4.03Å; W384-V388 PolarHBondContact O-N 3.07Å; A385-V388 PolarHBondContact O-N 2.96Å; V388-M390 VanDerWaalsContact C-N 3.34Å; V388-M390 PolarHBondContact O-N 3.35Å; V388-Y391 WeakPolarHBondContact O-CB 3.32Å; V388-Y391 PolarHBondContact O-N 3.36Å; V388-Y391 VanDerWaalsContact O-N 3.14Å; V388-E392 PolarHBondContact O-N 2.81Å; V388-P399 HydrophobicContact CB-CG 4.38Å; V388-P399 HydrophobicContact CG1-CG 3.99Å; V388-P399 HydrophobicContact CG2-CG 4.15Å; V388-M435 HydrophobicContact CG2-SD 4.3Å
389	L	98.6	Very high	97.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-55.8	-47.7	177.2	-174.2	83.6	0	0	0	111.8	L326 L328 I331 Y366 A385 L386 Y391 E392 M393	L326-L389 HydrophobicContact CD2-CD2 4.21Å; L326-L389 HydrophobicContact CG-CD2 4.4Å; L328-L389 HydrophobicContact CB-CD1 4.48Å; L328-L389 HydrophobicContact CD2-CD1 3.7Å; L328-L389 HydrophobicContact CD2-CG 4.47Å; L328-L389 HydrophobicContact CG-CD1 3.82Å; I331-L389 HydrophobicContact CD1-CD1 3.65Å; I331-L389 HydrophobicContact CD1-CD2 3.39Å; I331-L389 HydrophobicContact CD1-CG 4.13Å; Y366-L389 HydrophobicContact CE1-CB 3.97Å; Y366-L389 HydrophobicContact CE1-CD1 4Å; A385-L389 WeakPolarHBondContact O-CB 3.41Å; A385-L389 PolarHBondContact O-N 2.78Å; L386-L389 HydrophobicContact CD1-CD2 4.06Å; L386-L389 PolarHBondContact O-N 2.97Å; L389-Y391 VanDerWaalsContact C-N 3.33Å; L389-Y391 PolarHBondContact O-N 2.69Å; L389-E392 PolarHBondContact O-N 2.91Å; L389-M393 HydrophobicContact CD2-CE 4.23Å; L389-M393 HydrophobicContact CG-CE 4.23Å; L389-M393 WeakPolarHBondContact O-CG 3.26Å; L389-M393 PolarHBondContact O-N 3.23Å
390	M	98.8	Very high	97.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.8	-39.4	178.2	-75.8	-179.8	69.5	0	0	112	A306 L386 G387 V388 M393 M394 I430 L431 F434 F460 F461	A306-M390 HydrophobicContact CB-CE 4.08Å; A306-M390 HydrophobicContact CB-CG 3.71Å; A306-M390 HydrophobicContact CB-SD 3.73Å; L386-M390 HydrophobicContact CD1-CG 4.22Å; L386-M390 HydrophobicContact CD1-SD 4.42Å; L386-M390 HydrophobicContact CG-CG 4.41Å; L386-M390 HydrophobicContact CG-SD 4.13Å; L386-M390 VanDerWaalsContact O-CB 3.31Å; L386-M390 WeakPolarHBondContact O-CB 3.47Å; L386-M390 WeakPolarHBondContact O-CG 3.14Å; L386-M390 PolarHBondContact O-N 3.45Å; G387-M390 PolarHBondContact O-N 2.78Å; V388-M390 VanDerWaalsContact C-N 3.34Å; V388-M390 PolarHBondContact O-N 3.35Å; M390-M393 HydrophobicContact CG-CE 4.14Å; M390-M394 HydrophobicContact CB-CE 4.05Å; M390-M394 HydrophobicContact CE-CE 4.27Å; M390-M394 VanDerWaalsContact O-CE 3.22Å; M390-M394 WeakPolarHBondContact O-CE 3.26Å; M390-M394 WeakPolarHBondContact O-CG 3.31Å; M390-M394 PolarHBondContact O-N 3.1Å; M390-M394 VanDerWaalsContact O-N 3.13Å; M390-I430 HydrophobicContact CE-CG1 3.94Å; M390-I430 HydrophobicContact CE-CG2 3.7Å; M390-I430 HydrophobicContact SD-CG1 4.46Å; M390-L431 HydrophobicContact CB-CD2 3.65Å; M390-F434 HydrophobicContact SD-CD2 3.95Å; M390-F434 HydrophobicContact SD-CE2 3.7Å; M390-F460 HydrophobicContact CE-CD1 3.73Å; M390-F460 HydrophobicContact CE-CE1 3.29Å; M390-F460 HydrophobicContact CE-CZ 3.91Å; M390-F461 HydrophobicContact CE-CZ 4.24Å; M390-F461 HydrophobicContact SD-CZ 4.4Å
391	Y	98.7	Very high	97	Very high	8 Å²	8	17.4 Å²	17.4	3%	0.031	10%	0.097	C	C	.	.	H	α-helix	trans	-61.7	-50.6	175.2	-177	-82	0	0	0	109.8	G387 V388 L389 M393 M394 A395 Q397 P398 P399 V417 L418 Y419 L431 M435	G387-Y391 WeakPolarHBondContact O-CB 3.18Å; G387-Y391 PolarHBondContact O-N 3.22Å; V388-Y391 WeakPolarHBondContact O-CB 3.32Å; V388-Y391 PolarHBondContact O-N 3.36Å; V388-Y391 VanDerWaalsContact O-N 3.14Å; L389-Y391 VanDerWaalsContact C-N 3.33Å; L389-Y391 PolarHBondContact O-N 2.69Å; Y391-M393 VanDerWaalsContact C-N 3.33Å; Y391-M393 PolarHBondContact O-N 3.07Å; Y391-M394 PolarHBondContact O-N 2.56Å; Y391-M394 VanDerWaalsContact O-N 3.12Å; Y391-A395 HydrophobicContact CD1-CB 3.84Å; Y391-A395 HydrophobicContact CE1-CB 3.49Å; Y391-A395 VanDerWaalsContact CE1-CB 3.49Å; Y391-A395 HydrophobicContact CE2-CB 4.38Å; Y391-A395 HydrophobicContact CG-CB 4.42Å; Y391-A395 WeakPolarHBondContact O-CB 3.42Å; Y391-A395 PolarHBondContact O-N 2.9Å; Y391-Q397 WeakPolarHBondContact CD1-O 3.49Å; Y391-Q397 HydrophobicContact CE1-CG 4.45Å; Y391-Q397 WeakPolarHBondContact CE1-O 3.42Å; Y391-P398 WeakPolarHBondContact CE1-O 3.39Å; Y391-P399 HydrophobicContact CD1-CB 3.75Å; Y391-P399 HydrophobicContact CD1-CG 4.21Å; Y391-P399 HydrophobicContact CD2-CB 4.14Å; Y391-P399 VanDerWaalsContact CE1-CA 3.41Å; Y391-P399 HydrophobicContact CE1-CB 3.96Å; Y391-P399 HydrophobicContact CE2-CB 4.35Å; Y391-P399 HydrophobicContact CG-CB 3.85Å; Y391-P399 HydrophobicContact CG-CG 4.37Å; Y391-V417 HydrophobicContact CD2-CG1 4.02Å; Y391-V417 HydrophobicContact CE2-CG1 3.74Å; Y391-L418 WeakPolarHBondContact CE2-O 3.32Å; Y391-L418 PolarHBondContact OH-O 3.26Å; Y391-Y419 HydrophobicContact CD2-CD1 4.35Å; Y391-Y419 HydrophobicContact CD2-CE1 4.36Å; Y391-Y419 HydrophobicContact CE2-CD1 4.18Å; Y391-Y419 HydrophobicContact CE2-CE1 4.49Å; Y391-L431 HydrophobicContact CD2-CD1 4.09Å; Y391-M435 HydrophobicContact CD2-CE 4Å; Y391-M435 HydrophobicContact CG-CE 4.35Å
392	E	97.6	Very high	96.6	Very high	26 Å²	26	19.3 Å²	19.3	12%	0.121	11%	0.113	C	C	.	.	H	α-helix	trans	-60.6	-42.6	-178.7	-165.7	175.3	171.1	0	0	111.5	I291 L328 Y366 V388 L389 M394 G396 Q397	I291-E392 VanDerWaalsContact CD1-O 3.29Å; I291-E392 WeakPolarHBondContact CD1-O 3.45Å; L328-E392 HydrophobicContact CD1-CB 4.48Å; L328-E392 HydrophobicContact CD1-CG 3.88Å; L328-E392 VanDerWaalsContact CD1-OE1 3.32Å; L328-E392 WeakPolarHBondContact CD1-OE1 3.44Å; Y366-E392 PolarHBondContact OH-OE2 3.19Å; V388-E392 PolarHBondContact O-N 2.81Å; L389-E392 PolarHBondContact O-N 2.91Å; E392-M394 PolarHBondContact O-N 3.22Å; E392-G396 VanDerWaalsContact O-CA 3.22Å; E392-G396 WeakPolarHBondContact O-CA 3.14Å; E392-G396 PolarHBondContact O-N 3.26Å; E392-Q397 WeakPolarHBondContact CA-O 3.33Å
393	M	98.3	Very high	95.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-57.9	-43.8	174	-72.6	-169	-67.5	0	0	113	L287 F297 S302 Y305 A306 L328 L389 M390 Y391	L287-M393 HydrophobicContact CD1-SD 4.26Å; F297-M393 HydrophobicContact CD2-CB 3.97Å; F297-M393 HydrophobicContact CD2-CG 3.8Å; F297-M393 HydrophobicContact CD2-SD 3.9Å; F297-M393 HydrophobicContact CE2-CG 4.12Å; F297-M393 HydrophobicContact CE2-SD 4.17Å; F297-M393 PolarHBondContact N-O 3.25Å; S302-M393 WeakPolarHBondContact OG-CB 3.45Å; Y305-M393 HydrophobicContact CD2-SD 4.35Å; A306-M393 HydrophobicContact CB-CE 4.43Å; L328-M393 HydrophobicContact CD2-CG 3.89Å; L389-M393 HydrophobicContact CD2-CE 4.23Å; L389-M393 HydrophobicContact CG-CE 4.23Å; L389-M393 WeakPolarHBondContact O-CG 3.26Å; L389-M393 PolarHBondContact O-N 3.23Å; M390-M393 HydrophobicContact CG-CE 4.14Å; Y391-M393 VanDerWaalsContact C-N 3.33Å; Y391-M393 PolarHBondContact O-N 3.07Å
394	M	98.3	Very high	95.2	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.015	16%	0.158	C	C	.	.	H	α-helix	trans	-88.8	-29.7	-174	-67.7	-174.8	-79.7	0	0	114.3	K296 E299 S302 M390 Y391 E392 L423 A427 L431 F460	K296-M394 WeakPolarHBondContact CD-O 3.46Å; E299-M394 HydrophobicContact CB-SD 4.48Å; E299-M394 HydrophobicContact CG-SD 3.99Å; S302-M394 VanDerWaalsContact OG-CG 3.31Å; S302-M394 WeakPolarHBondContact OG-CG 3.32Å; M390-M394 HydrophobicContact CB-CE 4.05Å; M390-M394 HydrophobicContact CE-CE 4.27Å; M390-M394 VanDerWaalsContact O-CE 3.22Å; M390-M394 WeakPolarHBondContact O-CE 3.26Å; M390-M394 WeakPolarHBondContact O-CG 3.31Å; M390-M394 PolarHBondContact O-N 3.1Å; M390-M394 VanDerWaalsContact O-N 3.13Å; Y391-M394 PolarHBondContact O-N 2.56Å; Y391-M394 VanDerWaalsContact O-N 3.12Å; E392-M394 PolarHBondContact O-N 3.22Å; M394-L423 HydrophobicContact CB-CD2 3.81Å; M394-A427 HydrophobicContact CE-CB 4.44Å; M394-A427 HydrophobicContact SD-CB 3.93Å; M394-L431 HydrophobicContact CE-CD1 3.77Å; M394-L431 HydrophobicContact CE-CD2 3.73Å; M394-L431 HydrophobicContact CE-CG 3.83Å; M394-F460 HydrophobicContact CE-CZ 4.31Å; M394-F460 HydrophobicContact SD-CE2 4.05Å; M394-F460 HydrophobicContact SD-CZ 3.96Å
395	A	96.3	Very high	94.5	Very high	11 Å²	11	31.8 Å²	31.8	9%	0.091	18%	0.177	C	C	.	.	H	α-helix	trans	-93.7	-28.7	-179.2	0	0	0	0	0	112.4	Y391 Q397 P420	Y391-A395 HydrophobicContact CD1-CB 3.84Å; Y391-A395 HydrophobicContact CE1-CB 3.49Å; Y391-A395 VanDerWaalsContact CE1-CB 3.49Å; Y391-A395 HydrophobicContact CE2-CB 4.38Å; Y391-A395 HydrophobicContact CG-CB 4.42Å; Y391-A395 WeakPolarHBondContact O-CB 3.42Å; Y391-A395 PolarHBondContact O-N 2.9Å; A395-Q397 VanDerWaalsContact C-N 3.33Å; A395-Q397 HydrophobicContact CB-CG 4.44Å; A395-P420 HydrophobicContact CB-CG 4.18Å
396	G	92.9	Very high	93.9	Very high	33 Å²	33	37.1 Å²	37.1	34%	0.34	21%	0.205	S	C	.	.	S	Bend	trans	81.3	9.5	-176.5	0	0	0	0	0	114.5	R295 E392	R295-G396 VanDerWaalsContact O-CA 3.22Å; R295-G396 WeakPolarHBondContact O-CA 3.28Å; E392-G396 VanDerWaalsContact O-CA 3.22Å; E392-G396 WeakPolarHBondContact O-CA 3.14Å; E392-G396 PolarHBondContact O-N 3.26Å
397	Q	92.3	Very high	93.6	Very high	94 Å²	94	41.2 Å²	41.2	44%	0.439	23%	0.227	S	C	.	.	S	Bend	trans	-152.5	157	179.9	69	-170.8	6.1	0	0	108.6	Y391 E392 A395	Y391-Q397 WeakPolarHBondContact CD1-O 3.49Å; Y391-Q397 HydrophobicContact CE1-CG 4.45Å; Y391-Q397 WeakPolarHBondContact CE1-O 3.42Å; E392-Q397 WeakPolarHBondContact CA-O 3.33Å; A395-Q397 VanDerWaalsContact C-N 3.33Å; A395-Q397 HydrophobicContact CB-CG 4.44Å
398	P	94.8	Very high	93.4	Very high	27 Å²	27	41.8 Å²	41.8	18%	0.175	23%	0.23	C	C	.	.			trans	-67.4	158.4	178.2	28.7	-35.6	0	0	0	112.3	Y391 F400 E401	Y391-P398 WeakPolarHBondContact CE1-O 3.39Å; P398-F400 VanDerWaalsContact C-N 3.31Å; P398-E401 WeakPolarHBondContact CD-OE1 3.27Å; P398-E401 HydrophobicContact CG-CG 3.62Å
399	P	96.7	Very high	93.1	Very high	15 Å²	15	43.5 Å²	43.5	10%	0.097	24%	0.237	C	C	.	.	S	Bend	trans	-72.6	-24.1	-179.5	26.7	-32	0	0	0	113.6	V388 Y391 V417 M435	V388-P399 HydrophobicContact CB-CG 4.38Å; V388-P399 HydrophobicContact CG1-CG 3.99Å; V388-P399 HydrophobicContact CG2-CG 4.15Å; Y391-P399 HydrophobicContact CD1-CB 3.75Å; Y391-P399 HydrophobicContact CD1-CG 4.21Å; Y391-P399 HydrophobicContact CD2-CB 4.14Å; Y391-P399 VanDerWaalsContact CE1-CA 3.41Å; Y391-P399 HydrophobicContact CE1-CB 3.96Å; Y391-P399 HydrophobicContact CE2-CB 4.35Å; Y391-P399 HydrophobicContact CG-CB 3.85Å; Y391-P399 HydrophobicContact CG-CG 4.37Å; P399-V417 HydrophobicContact CB-CG1 3.85Å; P399-V417 HydrophobicContact CB-CG2 4.33Å; P399-M435 HydrophobicContact CB-SD 4Å; P399-M435 HydrophobicContact CG-SD 3.96Å
400	F	96.1	Very high	92.9	Very high	9 Å²	9	48.5 Å²	48.5	4%	0.039	26%	0.261	C	S	.	.			trans	-127.2	134.3	176.7	-52.6	-80.6	0	0	0	107.9	W384 P398 L408 I412 V417	W384-F400 HydrophobicContact CH2-CE2 4.11Å; W384-F400 HydrophobicContact CH2-CZ 4.2Å; W384-F400 AromaticContact CZ2-CE2 3.76Å; W384-F400 HydrophobicContact CZ2-CE2 3.76Å; W384-F400 HydrophobicContact CZ2-CZ 4.3Å; P398-F400 VanDerWaalsContact C-N 3.31Å; F400-L408 HydrophobicContact CB-CD1 3.75Å; F400-I412 HydrophobicContact CB-CG1 4.1Å; F400-I412 HydrophobicContact CD1-CG1 4.5Å; F400-I412 HydrophobicContact CD2-CG1 3.65Å; F400-I412 HydrophobicContact CE2-CG1 4.19Å; F400-I412 HydrophobicContact CG-CG1 3.83Å; F400-V417 HydrophobicContact CE1-CG2 3.95Å; F400-V417 HydrophobicContact CE2-CG2 4.01Å; F400-V417 HydrophobicContact CZ-CG2 3.4Å; F400-V417 VanDerWaalsContact CZ-CG2 3.4Å
401	E	87.8	Confident	92.8	Very high	125 Å²	125	49.2 Å²	49.2	58%	0.584	27%	0.266	S	S	*	.			trans	-135.4	136.2	176.6	-72.9	-175.7	-166.8	0	0	108.4	P398	P398-E401 WeakPolarHBondContact CD-OE1 3.27Å; P398-E401 HydrophobicContact CG-CG 3.62Å
402	A	89.1	Confident	92.7	Very high	46 Å²	46	48.9 Å²	48.9	38%	0.38	26%	0.264	S	S	.	.			trans	-148.1	163.1	173.6	0	0	0	0	0	111.1	N404 D407 L408	A402-N404 VanDerWaalsContact C-N 3.3Å; A402-N404 PolarHBondContact O-N 3.27Å; A402-D407 HydrophobicContact CB-CB 3.67Å; A402-L408 HydrophobicContact CB-CB 3.9Å; A402-L408 VanDerWaalsContact CB-N 3.26Å
403	D	82.9	Confident	92.7	Very high	115 Å²	115	49.2 Å²	49.2	62%	0.615	27%	0.267	S	S	*	.	S	Bend	trans	-67.5	-32.7	178.6	-87.2	-22	0	0	0	111.6	W122	W122-D403 VanDerWaalsContact CE2-O 3.23Å; W122-D403 HydrophobicContact CH2-CB 4Å; W122-D403 HydrophobicContact CZ2-CB 3.41Å; W122-D403 VanDerWaalsContact CZ2-CB 3.41Å; W122-D403 VanDerWaalsContact CZ2-O 3.27Å; W122-D403 WeakPolarHBondContact CZ2-O 3.26Å; W122-D403 PolarHBondContact NE1-O 2.93Å
404	N	87	Confident	92.5	Very high	62 Å²	62	55 Å²	55	33%	0.332	29%	0.294	S	S	.	.	S	Bend	trans	-141.1	167.2	179.1	63	78.9	0	0	0	111.5	A402 D406 D407 L408	A402-N404 VanDerWaalsContact C-N 3.3Å; A402-N404 PolarHBondContact O-N 3.27Å; N404-D406 PolarHBondContact O-N 3.43Å; N404-D406 WeakPolarHBondContact OD1-CB 3.14Å; N404-D406 PolarHBondContact OD1-N 3.27Å; N404-D407 PolarHBondContact ND2-OD2 2.95Å; N404-D407 PolarHBondContact O-N 3.09Å; N404-D407 PolarHBondContact OD1-N 3.46Å; N404-L408 WeakPolarHBondContact O-CB 3.07Å; N404-L408 PolarHBondContact O-N 3.31Å
405	E	83.8	Confident	92.5	Very high	87 Å²	87	58.9 Å²	58.9	41%	0.407	31%	0.314	S	S	.	.	H	α-helix	trans	-63.2	-37.9	-175.9	-67.9	177.6	165.8	0	0	113.1	L408 F409	E405-L408 WeakPolarHBondContact O-CB 3.31Å; E405-L408 PolarHBondContact O-N 2.87Å; E405-F409 HydrophobicContact CB-CE2 4.11Å; E405-F409 HydrophobicContact CB-CZ 4.12Å; E405-F409 WeakPolarHBondContact O-CB 3.47Å; E405-F409 WeakPolarHBondContact O-CD1 3.28Å; E405-F409 WeakPolarHBondContact O-CD2 3.34Å; E405-F409 WeakPolarHBondContact O-CG 3.45Å; E405-F409 PolarHBondContact O-N 2.92Å
406	D	85.5	Confident	92.5	Very high	119 Å²	119	65.2 Å²	65.2	64%	0.636	35%	0.347	S	S	*	.	H	α-helix	trans	-63.2	-46.9	179.3	-66	-30.2	0	0	0	110	N404 L408 F409 E410	N404-D406 PolarHBondContact O-N 3.43Å; N404-D406 WeakPolarHBondContact OD1-CB 3.14Å; N404-D406 PolarHBondContact OD1-N 3.27Å; D406-L408 VanDerWaalsContact C-N 3.31Å; D406-L408 PolarHBondContact O-N 3.38Å; D406-F409 PolarHBondContact O-N 3Å; D406-E410 WeakPolarHBondContact O-CG 3.03Å; D406-E410 PolarHBondContact O-N 2.72Å
407	D	93	Very high	92.6	Very high	86 Å²	86	64.5 Å²	64.5	46%	0.46	34%	0.336	S	S	.	.	H	α-helix	trans	-65.3	-35	176.2	-68.1	-22	0	0	0	111.8	A402 N404 S411	A402-D407 HydrophobicContact CB-CB 3.67Å; N404-D407 PolarHBondContact ND2-OD2 2.95Å; N404-D407 PolarHBondContact O-N 3.09Å; N404-D407 PolarHBondContact OD1-N 3.46Å; D407-S411 WeakPolarHBondContact O-CB 3.43Å; D407-S411 PolarHBondContact O-N 2.83Å
408	L	93.3	Very high	92.9	Very high	11 Å²	11	66.7 Å²	66.7	6%	0.058	35%	0.35	C	S	.	.	H	α-helix	trans	-64	-46.3	174.7	176.6	62.7	0	0	0	110.7	P364 F400 A402 N404 E405 D406 S411 I412	P364-L408 HydrophobicContact CB-CD2 4.09Å; F400-L408 HydrophobicContact CB-CD1 3.75Å; A402-L408 HydrophobicContact CB-CB 3.9Å; A402-L408 VanDerWaalsContact CB-N 3.26Å; N404-L408 WeakPolarHBondContact O-CB 3.07Å; N404-L408 PolarHBondContact O-N 3.31Å; E405-L408 WeakPolarHBondContact O-CB 3.31Å; E405-L408 PolarHBondContact O-N 2.87Å; D406-L408 VanDerWaalsContact C-N 3.31Å; D406-L408 PolarHBondContact O-N 3.38Å; L408-S411 WeakPolarHBondContact O-CB 3.46Å; L408-S411 PolarHBondContact O-N 2.86Å; L408-I412 HydrophobicContact CD1-CD1 4.25Å; L408-I412 HydrophobicContact CD1-CG1 4.47Å; L408-I412 HydrophobicContact CG-CD1 4.03Å; L408-I412 WeakPolarHBondContact O-CG1 2.88Å; L408-I412 PolarHBondContact O-N 2.81Å
409	F	94.4	Very high	93	Very high	36 Å²	36	67.7 Å²	67.7	16%	0.158	35%	0.35	C	S	.	.	H	α-helix	trans	-65.1	-42.1	179.3	-63.6	-18.4	0	0	0	111.5	F360 P364 I367 L372 E405 D406 S411 I412 L413	F360-F409 HydrophobicContact CZ-CE2 4.47Å; P364-F409 HydrophobicContact CB-CE1 4Å; P364-F409 HydrophobicContact CB-CZ 4.38Å; I367-F409 HydrophobicContact CG2-CD1 4.3Å; I367-F409 HydrophobicContact CG2-CE1 4.13Å; L372-F409 HydrophobicContact CD1-CB 3.9Å; L372-F409 HydrophobicContact CD1-CD1 4.05Å; L372-F409 HydrophobicContact CD1-CG 4.16Å; L372-F409 HydrophobicContact CD2-CB 4.1Å; L372-F409 HydrophobicContact CD2-CD1 3.62Å; L372-F409 HydrophobicContact CD2-CD2 3.97Å; L372-F409 HydrophobicContact CD2-CE1 3.97Å; L372-F409 HydrophobicContact CD2-CE2 4.3Å; L372-F409 HydrophobicContact CD2-CG 3.61Å; L372-F409 HydrophobicContact CD2-CZ 4.3Å; L372-F409 HydrophobicContact CG-CD1 4.49Å; E405-F409 HydrophobicContact CB-CE2 4.11Å; E405-F409 HydrophobicContact CB-CZ 4.12Å; E405-F409 WeakPolarHBondContact O-CB 3.47Å; E405-F409 WeakPolarHBondContact O-CD1 3.28Å; E405-F409 WeakPolarHBondContact O-CD2 3.34Å; E405-F409 WeakPolarHBondContact O-CG 3.45Å; E405-F409 PolarHBondContact O-N 2.92Å; D406-F409 PolarHBondContact O-N 3Å; F409-S411 VanDerWaalsContact C-N 3.31Å; F409-S411 PolarHBondContact O-N 3.05Å; F409-I412 HydrophobicContact CD1-CD1 4.43Å; F409-I412 PolarHBondContact O-N 3.31Å; F409-L413 WeakPolarHBondContact O-CB 3.42Å; F409-L413 VanDerWaalsContact O-CG 3.24Å; F409-L413 WeakPolarHBondContact O-CG 3.35Å; F409-L413 PolarHBondContact O-N 2.84Å
410	E	94.2	Very high	92.9	Very high	106 Å²	106	67.7 Å²	67.7	50%	0.495	35%	0.35	S	S	.	.	H	α-helix	trans	-60.2	-41.8	172.4	-71.1	-66.3	140.4	0	0	111.3	D406 L413 H414	D406-E410 WeakPolarHBondContact O-CG 3.03Å; D406-E410 PolarHBondContact O-N 2.72Å; E410-L413 PolarHBondContact O-N 3.42Å; E410-H414 WeakPolarHBondContact O-CB 3.12Å; E410-H414 PolarHBondContact O-CD2 3.41Å; E410-H414 PolarHBondContact O-N 2.8Å; E410-H414 IonicContact OE2-CD2 2.66Å; E410-H414 PolarHBondContact OE2-CD2 3.39Å; E410-H414 VanDerWaalsContact OE2-CD2 3.22Å; E410-H414 IonicContact OE2-NE2 3.19Å
411	S	96.4	Very high	93	Very high	15 Å²	15	74.2 Å²	74.2	11%	0.105	39%	0.391	C	S	.	.	H	α-helix	trans	-62.5	-46.6	176.1	-168.5	0	0	0	0	111.9	D407 L408 F409 L413 H414 D415	D407-S411 WeakPolarHBondContact O-CB 3.43Å; D407-S411 PolarHBondContact O-N 2.83Å; L408-S411 WeakPolarHBondContact O-CB 3.46Å; L408-S411 PolarHBondContact O-N 2.86Å; F409-S411 VanDerWaalsContact C-N 3.31Å; F409-S411 PolarHBondContact O-N 3.05Å; S411-L413 VanDerWaalsContact C-N 3.27Å; S411-L413 PolarHBondContact O-N 3.42Å; S411-H414 PolarHBondContact O-N 3.34Å; S411-D415 WeakPolarHBondContact CA-OD2 3.46Å; S411-D415 WeakPolarHBondContact CB-OD2 3.42Å; S411-D415 WeakPolarHBondContact O-CB 3.44Å; S411-D415 PolarHBondContact O-N 3.45Å; S411-D415 PolarHBondContact OG-OD2 2.86Å
412	I	97	Very high	93.4	Very high	1 Å²	1	75.2 Å²	75.2	1%	0.005	39%	0.389	C	S	.	.	H	α-helix	trans	-57.1	-41.3	175.3	-70.6	167.1	0	0	0	111.2	I367 P369 L372 W384 F400 L408 F409 K437	I367-I412 HydrophobicContact CG2-CD1 3.96Å; P369-I412 HydrophobicContact CG-CG2 3.97Å; L372-I412 HydrophobicContact CD1-CB 3.95Å; L372-I412 HydrophobicContact CD1-CD1 4.32Å; L372-I412 HydrophobicContact CD1-CG2 3.68Å; W384-I412 HydrophobicContact CZ2-CG2 3.9Å; F400-I412 HydrophobicContact CB-CG1 4.1Å; F400-I412 HydrophobicContact CD1-CG1 4.5Å; F400-I412 HydrophobicContact CD2-CG1 3.65Å; F400-I412 HydrophobicContact CE2-CG1 4.19Å; F400-I412 HydrophobicContact CG-CG1 3.83Å; L408-I412 HydrophobicContact CD1-CD1 4.25Å; L408-I412 HydrophobicContact CD1-CG1 4.47Å; L408-I412 HydrophobicContact CG-CD1 4.03Å; L408-I412 WeakPolarHBondContact O-CG1 2.88Å; L408-I412 PolarHBondContact O-N 2.81Å; F409-I412 HydrophobicContact CD1-CD1 4.43Å; F409-I412 PolarHBondContact O-N 3.31Å; I412-K437 VanDerWaalsContact O-CE 3.24Å; I412-K437 WeakPolarHBondContact O-CE 3.49Å
413	L	96.4	Very high	93.8	Very high	33 Å²	33	73.9 Å²	73.9	17%	0.173	38%	0.376	C	S	.	.	H	α-helix	trans	-73.6	-38.3	-179.2	-70.2	173.8	0	0	0	112.8	P369 L372 Q373 F409 E410 S411 K437	P369-L413 HydrophobicContact CB-CD2 4.08Å; L372-L413 HydrophobicContact CB-CD1 4.38Å; L372-L413 HydrophobicContact CB-CD2 4.03Å; L372-L413 HydrophobicContact CB-CG 4.34Å; L372-L413 HydrophobicContact CD1-CD2 4.4Å; L372-L413 HydrophobicContact CD1-CG 4.16Å; Q373-L413 HydrophobicContact CG-CD2 3.72Å; F409-L413 WeakPolarHBondContact O-CB 3.42Å; F409-L413 VanDerWaalsContact O-CG 3.24Å; F409-L413 WeakPolarHBondContact O-CG 3.35Å; F409-L413 PolarHBondContact O-N 2.84Å; E410-L413 PolarHBondContact O-N 3.42Å; S411-L413 VanDerWaalsContact C-N 3.27Å; S411-L413 PolarHBondContact O-N 3.42Å; L413-K437 WeakPolarHBondContact O-CD 3.15Å; L413-K437 WeakPolarHBondContact O-CE 3.18Å; L413-K437 PolarHBondContact O-NZ 2.95Å
414	H	95.2	Very high	94.5	Very high	122 Å²	122	70 Å²	70	57%	0.565	36%	0.357	S	S	*	.	H	α-helix	trans	-118	-32.7	-163.3	-63.1	-51.9	0	0	0	115.2	E410 S411 K437	E410-H414 WeakPolarHBondContact O-CB 3.12Å; E410-H414 PolarHBondContact O-CD2 3.41Å; E410-H414 PolarHBondContact O-N 2.8Å; E410-H414 IonicContact OE2-CD2 2.66Å; E410-H414 PolarHBondContact OE2-CD2 3.39Å; E410-H414 VanDerWaalsContact OE2-CD2 3.22Å; E410-H414 IonicContact OE2-NE2 3.19Å; S411-H414 PolarHBondContact O-N 3.34Å; H414-K437 VanDerWaalsContact CA-NZ 3.29Å; H414-K437 PolarHBondContact O-NZ 3.17Å
415	D	97.1	Very high	95.1	Very high	84 Å²	84	75.7 Å²	75.7	45%	0.449	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-81.8	151.9	-175.2	-63.5	-20	0	0	0	112.9	S411 K437	S411-D415 WeakPolarHBondContact CA-OD2 3.46Å; S411-D415 WeakPolarHBondContact CB-OD2 3.42Å; S411-D415 WeakPolarHBondContact O-CB 3.44Å; S411-D415 PolarHBondContact O-N 3.45Å; S411-D415 PolarHBondContact OG-OD2 2.86Å; D415-K437 VanDerWaalsContact O-CE 3.26Å; D415-K437 WeakPolarHBondContact O-CE 3.39Å; D415-K437 PolarHBondContact O-NZ 3.45Å
416	D	95.9	Very high	95.8	Very high	144 Å²	144	74.9 Å²	74.9	77%	0.77	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-84.4	139.2	170	-73.1	-38.2	0	0	0	110.2	L418	D416-L418 PolarHBondContact O-N 2.8Å
417	V	96.6	Very high	96.4	Very high	18 Å²	18	69.2 Å²	69.2	11%	0.109	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-67.5	128	175.7	-178.9	0	0	0	0	110	Y391 P399 F400 Y419 M435	Y391-V417 HydrophobicContact CD2-CG1 4.02Å; Y391-V417 HydrophobicContact CE2-CG1 3.74Å; P399-V417 HydrophobicContact CB-CG1 3.85Å; P399-V417 HydrophobicContact CB-CG2 4.33Å; F400-V417 HydrophobicContact CE1-CG2 3.95Å; F400-V417 HydrophobicContact CE2-CG2 4.01Å; F400-V417 HydrophobicContact CZ-CG2 3.4Å; F400-V417 VanDerWaalsContact CZ-CG2 3.4Å; V417-Y419 HydrophobicContact CB-CE1 4.23Å; V417-Y419 HydrophobicContact CB-CE2 4.09Å; V417-Y419 HydrophobicContact CG1-CD1 4.22Å; V417-Y419 HydrophobicContact CG1-CE1 3.65Å; V417-Y419 HydrophobicContact CG1-CE2 4.26Å; V417-Y419 WeakPolarHBondContact O-CD2 3.44Å; V417-Y419 WeakPolarHBondContact O-CE2 3.33Å; V417-M435 HydrophobicContact CG1-CE 4.05Å; V417-M435 HydrophobicContact CG2-CB 4.48Å; V417-M435 HydrophobicContact CG2-CE 4.38Å; V417-M435 HydrophobicContact CG2-SD 4.16Å
418	L	96.8	Very high	96.7	Very high	139 Å²	139	66.2 Å²	66.2	73%	0.728	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-86.2	123.2	174.2	-61.6	-178.5	0	0	0	110.2	Y391 D416	Y391-L418 WeakPolarHBondContact CE2-O 3.32Å; Y391-L418 PolarHBondContact OH-O 3.26Å; D416-L418 PolarHBondContact O-N 2.8Å
419	Y	97.1	Very high	96.9	Very high	48 Å²	48	68.4 Å²	68.4	19%	0.188	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-101.9	126.7	-179.1	-59	-77.9	0	0	0	111	Y391 V417 V428 L431 R432 M435	Y391-Y419 HydrophobicContact CD2-CD1 4.35Å; Y391-Y419 HydrophobicContact CD2-CE1 4.36Å; Y391-Y419 HydrophobicContact CE2-CD1 4.18Å; Y391-Y419 HydrophobicContact CE2-CE1 4.49Å; V417-Y419 HydrophobicContact CB-CE1 4.23Å; V417-Y419 HydrophobicContact CB-CE2 4.09Å; V417-Y419 HydrophobicContact CG1-CD1 4.22Å; V417-Y419 HydrophobicContact CG1-CE1 3.65Å; V417-Y419 HydrophobicContact CG1-CE2 4.26Å; V417-Y419 WeakPolarHBondContact O-CD2 3.44Å; V417-Y419 WeakPolarHBondContact O-CE2 3.33Å; Y419-V428 HydrophobicContact CD1-CG1 4.24Å; Y419-V428 HydrophobicContact CD2-CG1 4Å; Y419-V428 HydrophobicContact CE2-CG1 4.47Å; Y419-V428 HydrophobicContact CG-CG1 3.85Å; Y419-V428 HydrophobicContact CG-CG2 4.32Å; Y419-L431 HydrophobicContact CD1-CB 4.34Å; Y419-L431 HydrophobicContact CD1-CD1 4.11Å; Y419-L431 HydrophobicContact CE1-CB 3.66Å; Y419-L431 HydrophobicContact CE1-CD1 4.17Å; Y419-R432 HydrophobicContact CE1-CG 4.36Å; Y419-R432 HydrophobicContact CE2-CG 3.55Å; Y419-R432 VanDerWaalsContact CZ-CG 3.45Å; Y419-R432 WeakPolarHBondContact OH-CG 3.46Å; Y419-M435 HydrophobicContact CE1-CE 4.04Å
420	P	96.3	Very high	97.2	Very high	16 Å²	16	66.7 Å²	66.7	10%	0.104	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-60.2	140.4	175.5	-24.9	32.4	0	0	0	113.7	A395 W422 L423	A395-P420 HydrophobicContact CB-CG 4.18Å; P420-W422 HydrophobicContact CB-CD2 3.56Å; P420-W422 HydrophobicContact CB-CE3 3.81Å; P420-W422 HydrophobicContact CB-CG 4.28Å; P420-W422 HydrophobicContact CB-CH2 3.55Å; P420-W422 HydrophobicContact CB-CZ2 3.25Å; P420-W422 HydrophobicContact CB-CZ3 3.8Å; P420-W422 HydrophobicContact CG-CH2 4.09Å; P420-W422 HydrophobicContact CG-CZ2 3.64Å; P420-W422 PolarHBondContact O-N 3.47Å; P420-W422 VanDerWaalsContact O-N 3.09Å; P420-L423 HydrophobicContact CB-CG 4.34Å; P420-L423 HydrophobicContact CG-CD1 4.43Å; P420-L423 WeakPolarHBondContact O-CB 3.42Å; P420-L423 PolarHBondContact O-N 2.89Å; P420-L423 VanDerWaalsContact O-N 3.08Å
421	V	96.7	Very high	97.4	Very high	146 Å²	146	61.6 Å²	61.6	89%	0.885	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-17.1	-175.6	-61.9	0	0	0	0	114.5
422	W	96.1	Very high	97.5	Very high	146 Å²	146	67.8 Å²	67.8	55%	0.553	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-7.5	178.4	59.8	76.6	0	0	0	113.6	P420	P420-W422 HydrophobicContact CB-CD2 3.56Å; P420-W422 HydrophobicContact CB-CE3 3.81Å; P420-W422 HydrophobicContact CB-CG 4.28Å; P420-W422 HydrophobicContact CB-CH2 3.55Å; P420-W422 HydrophobicContact CB-CZ2 3.25Å; P420-W422 HydrophobicContact CB-CZ3 3.8Å; P420-W422 HydrophobicContact CG-CH2 4.09Å; P420-W422 HydrophobicContact CG-CZ2 3.64Å; P420-W422 PolarHBondContact O-N 3.47Å; P420-W422 VanDerWaalsContact O-N 3.09Å
423	L	98	Very high	97.6	Very high	18 Å²	18	68.8 Å²	68.8	9%	0.094	34%	0.344	C	S	.	.	S	Bend	trans	-74.5	140.4	174	-64.6	-177	0	0	0	110.4	M394 P420 A427 V428 L431	M394-L423 HydrophobicContact CB-CD2 3.81Å; P420-L423 HydrophobicContact CB-CG 4.34Å; P420-L423 HydrophobicContact CG-CD1 4.43Å; P420-L423 WeakPolarHBondContact O-CB 3.42Å; P420-L423 PolarHBondContact O-N 2.89Å; P420-L423 VanDerWaalsContact O-N 3.08Å; L423-A427 HydrophobicContact CB-CB 4.28Å; L423-V428 HydrophobicContact CB-CG2 3.75Å; L423-V428 HydrophobicContact CD1-CG2 4.39Å; L423-L431 HydrophobicContact CD1-CD1 3.91Å
424	S	98.5	Very high	97.7	Very high	33 Å²	33	67.2 Å²	67.2	23%	0.231	34%	0.336	C	S	.	.			trans	-62.9	160.2	174.3	71.2	0	0	0	0	111.7	E299 E426 A427 V428	E299-S424 VanDerWaalsContact CD-OG 3.29Å; E299-S424 WeakPolarHBondContact OE1-CB 3.2Å; E299-S424 PolarHBondContact OE1-N 2.92Å; E299-S424 PolarHBondContact OE1-OG 3.07Å; E299-S424 VanDerWaalsContact OE2-CB 3.29Å; E299-S424 WeakPolarHBondContact OE2-CB 3.33Å; E299-S424 PolarHBondContact OE2-OG 2.82Å; S424-E426 PolarHBondContact O-N 3.43Å; S424-A427 PolarHBondContact O-N 2.78Å; S424-A427 VanDerWaalsContact OG-CB 3.29Å; S424-A427 WeakPolarHBondContact OG-CB 3.41Å; S424-A427 PolarHBondContact OG-N 3.06Å; S424-V428 WeakPolarHBondContact O-CG2 3.4Å; S424-V428 PolarHBondContact O-N 3.17Å
425	K	98.4	Very high	97.8	Very high	181 Å²	181	62 Å²	62	79%	0.787	31%	0.312	S	S	*	.	H	α-helix	trans	-60.5	-37.3	176.1	-68.3	-178.2	-179.8	177.8	0	110.8	S429	K425-S429 WeakPolarHBondContact O-CB 3.33Å; K425-S429 PolarHBondContact O-N 3.43Å
426	E	98.5	Very high	97.9	Very high	71 Å²	71	59.9 Å²	59.9	33%	0.332	30%	0.302	S	S	.	.	H	α-helix	trans	-67.6	-41.6	178	-64.9	73.5	-165.4	0	0	111.7	S424 S429 I430 P459 F460	S424-E426 PolarHBondContact O-N 3.43Å; E426-S429 PolarHBondContact O-N 3.24Å; E426-I430 PolarHBondContact O-N 3.14Å; E426-P459 HydrophobicContact CG-CB 4.21Å; E426-F460 HydrophobicContact CB-CD2 4.49Å
427	A	98.8	Very high	98	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.7	-48.1	174.7	0	0	0	0	0	111.5	E299 M394 L423 S424 S429 I430 L431 F460	E299-A427 HydrophobicContact CG-CB 4.45Å; M394-A427 HydrophobicContact CE-CB 4.44Å; M394-A427 HydrophobicContact SD-CB 3.93Å; L423-A427 HydrophobicContact CB-CB 4.28Å; S424-A427 PolarHBondContact O-N 2.78Å; S424-A427 VanDerWaalsContact OG-CB 3.29Å; S424-A427 WeakPolarHBondContact OG-CB 3.41Å; S424-A427 PolarHBondContact OG-N 3.06Å; A427-S429 VanDerWaalsContact C-N 3.28Å; A427-S429 PolarHBondContact O-N 3.26Å; A427-I430 WeakPolarHBondContact O-CG2 3.43Å; A427-I430 PolarHBondContact O-N 3.07Å; A427-L431 WeakPolarHBondContact O-CB 3.22Å; A427-L431 WeakPolarHBondContact O-CG 3.33Å; A427-L431 PolarHBondContact O-N 3.27Å; A427-L431 VanDerWaalsContact O-N 3.11Å; A427-F460 HydrophobicContact CB-CD2 4.22Å; A427-F460 HydrophobicContact CB-CE2 3.93Å
428	V	98.8	Very high	98.1	Very high	23 Å²	23	57.4 Å²	57.4	14%	0.139	29%	0.289	C	S	.	.	H	α-helix	trans	-62.5	-38.9	175.9	176.4	0	0	0	0	111.2	Y419 L423 S424 L431 R432	Y419-V428 HydrophobicContact CD1-CG1 4.24Å; Y419-V428 HydrophobicContact CD2-CG1 4Å; Y419-V428 HydrophobicContact CE2-CG1 4.47Å; Y419-V428 HydrophobicContact CG-CG1 3.85Å; Y419-V428 HydrophobicContact CG-CG2 4.32Å; L423-V428 HydrophobicContact CB-CG2 3.75Å; L423-V428 HydrophobicContact CD1-CG2 4.39Å; S424-V428 WeakPolarHBondContact O-CG2 3.4Å; S424-V428 PolarHBondContact O-N 3.17Å; V428-L431 PolarHBondContact O-N 2.98Å; V428-R432 HydrophobicContact CG1-CG 4.36Å; V428-R432 WeakPolarHBondContact O-CB 3.19Å; V428-R432 WeakPolarHBondContact O-CG 3.44Å; V428-R432 PolarHBondContact O-N 3.34Å
429	S	98.8	Very high	98.1	Very high	56 Å²	56	52.3 Å²	52.3	39%	0.392	26%	0.264	S	S	.	.	H	α-helix	trans	-60.5	-49.8	177.8	-177	0	0	0	0	112.2	K425 E426 A427 L431 R432 A433 H458	K425-S429 WeakPolarHBondContact O-CB 3.33Å; K425-S429 PolarHBondContact O-N 3.43Å; E426-S429 PolarHBondContact O-N 3.24Å; A427-S429 VanDerWaalsContact C-N 3.28Å; A427-S429 PolarHBondContact O-N 3.26Å; S429-L431 VanDerWaalsContact C-N 3.35Å; S429-L431 PolarHBondContact O-N 2.93Å; S429-R432 PolarHBondContact O-N 3.08Å; S429-A433 WeakPolarHBondContact O-CB 3.41Å; S429-A433 PolarHBondContact O-N 3.42Å; S429-H458 PolarHBondContact OG-NE2 3.46Å; S429-H458 VanDerWaalsContact OG-NE2 3.12Å
430	I	98.8	Very high	98	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.4	-40.7	-179.2	-171	70.3	0	0	0	111.2	M390 E426 A427 R432 A433 F434 L443 H458 F460 F461	M390-I430 HydrophobicContact CE-CG1 3.94Å; M390-I430 HydrophobicContact CE-CG2 3.7Å; M390-I430 HydrophobicContact SD-CG1 4.46Å; E426-I430 PolarHBondContact O-N 3.14Å; A427-I430 WeakPolarHBondContact O-CG2 3.43Å; A427-I430 PolarHBondContact O-N 3.07Å; I430-R432 PolarHBondContact O-N 3.47Å; I430-A433 PolarHBondContact O-N 3.34Å; I430-F434 HydrophobicContact CD1-CD2 4.01Å; I430-F434 HydrophobicContact CD1-CE2 3.58Å; I430-F434 HydrophobicContact CD1-CZ 4.18Å; I430-F434 HydrophobicContact CG1-CD2 3.72Å; I430-F434 HydrophobicContact CG1-CE2 3.55Å; I430-F434 PolarHBondContact O-N 3.35Å; I430-L443 HydrophobicContact CD1-CD2 3.34Å; I430-H458 VanDerWaalsContact CA-CE1 3.49Å; I430-H458 WeakPolarHBondContact CA-CE1 3.44Å; I430-H458 VanDerWaalsContact CB-CE1 3.43Å; I430-H458 WeakPolarHBondContact CB-CE1 3.43Å; I430-H458 HydrophobicContact CD1-CB 3.82Å; I430-H458 WeakPolarHBondContact CD1-ND1 3.37Å; I430-H458 PolarHBondContact N-CE1 3.37Å; I430-H458 VanDerWaalsContact N-CE1 3.33Å; I430-F460 HydrophobicContact CB-CB 3.86Å; I430-F460 HydrophobicContact CB-CD1 4.47Å; I430-F460 HydrophobicContact CB-CG 4.13Å; I430-F460 HydrophobicContact CG1-CB 4.35Å; I430-F460 HydrophobicContact CG1-CD1 4.44Å; I430-F460 HydrophobicContact CG2-CB 3.86Å; I430-F460 HydrophobicContact CG2-CD1 3.91Å; I430-F460 HydrophobicContact CG2-CD2 3.82Å; I430-F460 HydrophobicContact CG2-CE1 4.4Å; I430-F460 HydrophobicContact CG2-CE2 4.33Å; I430-F460 HydrophobicContact CG2-CG 3.58Å; I430-F461 HydrophobicContact CD1-CD2 4.39Å; I430-F461 HydrophobicContact CD1-CE2 3.87Å; I430-F461 HydrophobicContact CG1-CE2 4.17Å
431	L	98.9	Very high	98.1	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.7	-42.7	179.8	-69.5	173.6	0	0	0	111.8	G387 M390 Y391 M394 Y419 L423 A427 V428 S429 A433 M435	G387-L431 WeakPolarHBondContact O-CD2 3.18Å; M390-L431 HydrophobicContact CB-CD2 3.65Å; Y391-L431 HydrophobicContact CD2-CD1 4.09Å; M394-L431 HydrophobicContact CE-CD1 3.77Å; M394-L431 HydrophobicContact CE-CD2 3.73Å; M394-L431 HydrophobicContact CE-CG 3.83Å; Y419-L431 HydrophobicContact CD1-CB 4.34Å; Y419-L431 HydrophobicContact CD1-CD1 4.11Å; Y419-L431 HydrophobicContact CE1-CB 3.66Å; Y419-L431 HydrophobicContact CE1-CD1 4.17Å; L423-L431 HydrophobicContact CD1-CD1 3.91Å; A427-L431 WeakPolarHBondContact O-CB 3.22Å; A427-L431 WeakPolarHBondContact O-CG 3.33Å; A427-L431 PolarHBondContact O-N 3.27Å; A427-L431 VanDerWaalsContact O-N 3.11Å; V428-L431 PolarHBondContact O-N 2.98Å; S429-L431 VanDerWaalsContact C-N 3.35Å; S429-L431 PolarHBondContact O-N 2.93Å; L431-A433 VanDerWaalsContact C-N 3.32Å; L431-A433 PolarHBondContact O-N 3Å; L431-M435 HydrophobicContact CB-CE 3.75Å; L431-M435 HydrophobicContact CD2-CE 4.09Å; L431-M435 HydrophobicContact CG-CE 4.43Å; L431-M435 WeakPolarHBondContact O-CB 3.38Å; L431-M435 WeakPolarHBondContact O-CE 3.19Å; L431-M435 PolarHBondContact O-N 3.4Å
432	R	98.6	Very high	98.2	Very high	144 Å²	144	56 Å²	56	54%	0.543	27%	0.274	S	S	.	.	H	α-helix	trans	-62.8	-39.7	173.4	-75.3	177.3	-177.2	-175.6	0.3	112.1	Y419 V428 S429 I430 M435 T436	Y419-R432 HydrophobicContact CE1-CG 4.36Å; Y419-R432 HydrophobicContact CE2-CG 3.55Å; Y419-R432 VanDerWaalsContact CZ-CG 3.45Å; Y419-R432 WeakPolarHBondContact OH-CG 3.46Å; V428-R432 HydrophobicContact CG1-CG 4.36Å; V428-R432 WeakPolarHBondContact O-CB 3.19Å; V428-R432 WeakPolarHBondContact O-CG 3.44Å; V428-R432 PolarHBondContact O-N 3.34Å; S429-R432 PolarHBondContact O-N 3.08Å; I430-R432 PolarHBondContact O-N 3.47Å; R432-M435 CarbonylContact O-C 3.57Å; R432-T436 PolarHBondContact O-N 3.12Å; R432-T436 PolarHBondContact O-OG1 3.41Å
433	A	98.6	Very high	98.3	Very high	23 Å²	23	49.7 Å²	49.7	19%	0.19	25%	0.251	C	S	.	.	H	α-helix	trans	-67	-39.9	-177.8	0	0	0	0	0	112	S429 I430 L431 T436 L443	S429-A433 WeakPolarHBondContact O-CB 3.41Å; S429-A433 PolarHBondContact O-N 3.42Å; I430-A433 PolarHBondContact O-N 3.34Å; L431-A433 VanDerWaalsContact C-N 3.32Å; L431-A433 PolarHBondContact O-N 3Å; A433-T436 PolarHBondContact O-OG1 3.33Å; A433-L443 HydrophobicContact CB-CB 3.77Å; A433-L443 HydrophobicContact CB-CD2 3.94Å; A433-L443 HydrophobicContact CB-CG 4.4Å; A433-L443 PolarHBondContact O-N 3.41Å
434	F	98.8	Very high	98.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-76.1	-44.9	173.8	-77.1	-50.6	0	0	0	113.4	W383 L386 M390 I430 T436 R442 L443 I455	W383-F434 HydrophobicContact CB-CD1 4.09Å; W383-F434 HydrophobicContact CB-CE1 4.26Å; W383-F434 HydrophobicContact CD2-CE1 4.41Å; W383-F434 AromaticContact CE3-CE1 3.91Å; W383-F434 HydrophobicContact CE3-CE1 3.91Å; W383-F434 HydrophobicContact CE3-CZ 4.45Å; W383-F434 WeakPolarHBondContact O-CB 3.48Å; W383-F434 WeakPolarHBondContact O-CD1 3.4Å; L386-F434 HydrophobicContact CD2-CE1 4.24Å; L386-F434 HydrophobicContact CD2-CE2 4.01Å; L386-F434 HydrophobicContact CD2-CZ 3.69Å; L386-F434 HydrophobicContact CG-CE2 4.31Å; L386-F434 HydrophobicContact CG-CZ 4.41Å; M390-F434 HydrophobicContact SD-CD2 3.95Å; M390-F434 HydrophobicContact SD-CE2 3.7Å; I430-F434 HydrophobicContact CD1-CD2 4.01Å; I430-F434 HydrophobicContact CD1-CE2 3.58Å; I430-F434 HydrophobicContact CD1-CZ 4.18Å; I430-F434 HydrophobicContact CG1-CD2 3.72Å; I430-F434 HydrophobicContact CG1-CE2 3.55Å; I430-F434 PolarHBondContact O-N 3.35Å; F434-T436 PolarHBondContact O-N 2.94Å; F434-R442 WeakPolarHBondContact O-CD 3.36Å; F434-R442 WeakPolarHBondContact O-CG 3.43Å; F434-R442 PolarHBondContact O-NE 3.24Å; F434-L443 HydrophobicContact CD1-CB 4.23Å; F434-L443 HydrophobicContact CD1-CD2 4.32Å; F434-L443 HydrophobicContact CE1-CB 4.42Å; F434-L443 HydrophobicContact CE1-CD2 4.01Å; F434-L443 HydrophobicContact CE1-CG 4.29Å; F434-L443 HydrophobicContact CE2-CD2 4.4Å; F434-L443 HydrophobicContact CZ-CD2 4.06Å; F434-I455 HydrophobicContact CE1-CD1 3.96Å; F434-I455 HydrophobicContact CE1-CG1 3.97Å; F434-I455 HydrophobicContact CE1-CG2 4.44Å; F434-I455 HydrophobicContact CZ-CD1 4.29Å; F434-I455 HydrophobicContact CZ-CG1 4.12Å; F434-I455 HydrophobicContact CZ-CG2 3.74Å
435	M	98.6	Very high	98.2	Very high	12 Å²	12	49 Å²	49	6%	0.059	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	33.5	179.2	-62.4	-177.5	-74.3	0	0	112.5	W384 V388 Y391 P399 V417 Y419 L431 R432 K437	W384-M435 HydrophobicContact CE3-CB 4.34Å; W384-M435 HydrophobicContact CH2-CB 4.33Å; W384-M435 VanDerWaalsContact CZ3-C 3.5Å; W384-M435 HydrophobicContact CZ3-CB 4.02Å; W384-M435 WeakPolarHBondContact CZ3-O 3.38Å; V388-M435 HydrophobicContact CG2-SD 4.3Å; Y391-M435 HydrophobicContact CD2-CE 4Å; Y391-M435 HydrophobicContact CG-CE 4.35Å; P399-M435 HydrophobicContact CB-SD 4Å; P399-M435 HydrophobicContact CG-SD 3.96Å; V417-M435 HydrophobicContact CG1-CE 4.05Å; V417-M435 HydrophobicContact CG2-CB 4.48Å; V417-M435 HydrophobicContact CG2-CE 4.38Å; V417-M435 HydrophobicContact CG2-SD 4.16Å; Y419-M435 HydrophobicContact CE1-CE 4.04Å; L431-M435 HydrophobicContact CB-CE 3.75Å; L431-M435 HydrophobicContact CD2-CE 4.09Å; L431-M435 HydrophobicContact CG-CE 4.43Å; L431-M435 WeakPolarHBondContact O-CB 3.38Å; L431-M435 WeakPolarHBondContact O-CE 3.19Å; L431-M435 PolarHBondContact O-N 3.4Å; R432-M435 CarbonylContact O-C 3.57Å; M435-K437 PolarHBondContact O-N 2.98Å
436	T	98.6	Very high	98.1	Very high	40 Å²	40	41.4 Å²	41.4	25%	0.245	22%	0.217	C	C	.	.			trans	-77.2	118.6	168.2	-69.4	0	0	0	0	108.8	R432 A433 F434 S438 K441 R442	R432-T436 PolarHBondContact O-N 3.12Å; R432-T436 PolarHBondContact O-OG1 3.41Å; A433-T436 PolarHBondContact O-OG1 3.33Å; F434-T436 PolarHBondContact O-N 2.94Å; T436-S438 VanDerWaalsContact C-N 3.29Å; T436-S438 PolarHBondContact O-N 2.68Å; T436-K441 HydrophobicContact CG2-CB 3.88Å; T436-R442 PolarHBondContact O-NE 2.77Å; T436-R442 PolarHBondContact O-NH2 3.38Å; T436-R442 VanDerWaalsContact O-NH2 3.14Å
437	K	98	Very high	98	Very high	61 Å²	61	43 Å²	43	27%	0.265	23%	0.233	S	C	.	.	S	Bend	trans	-59.7	-36.3	-174.2	-64.6	-176.4	178	179	0	113.7	P369 W384 I412 L413 H414 D415 M435 P439 R442	P369-K437 HydrophobicContact CG-CB 4.31Å; P369-K437 HydrophobicContact CG-CG 4.24Å; W384-K437 HydrophobicContact CH2-CG 4.4Å; W384-K437 HydrophobicContact CZ3-CG 4.27Å; I412-K437 VanDerWaalsContact O-CE 3.24Å; I412-K437 WeakPolarHBondContact O-CE 3.49Å; L413-K437 WeakPolarHBondContact O-CD 3.15Å; L413-K437 WeakPolarHBondContact O-CE 3.18Å; L413-K437 PolarHBondContact O-NZ 2.95Å; H414-K437 VanDerWaalsContact CA-NZ 3.29Å; H414-K437 PolarHBondContact O-NZ 3.17Å; D415-K437 VanDerWaalsContact O-CE 3.26Å; D415-K437 WeakPolarHBondContact O-CE 3.39Å; D415-K437 PolarHBondContact O-NZ 3.45Å; M435-K437 PolarHBondContact O-N 2.98Å; K437-P439 WeakPolarHBondContact O-CD 3.4Å; K437-R442 PolarHBondContact O-NH2 3.48Å
438	S	97.7	Very high	97.8	Very high	49 Å²	49	48 Å²	48	34%	0.343	28%	0.275	S	S	.	.	S	Bend	trans	-81.3	116.1	176.2	-177	0	0	0	0	110.7	T436 N440 K441 R442	T436-S438 VanDerWaalsContact C-N 3.29Å; T436-S438 PolarHBondContact O-N 2.68Å; S438-N440 VanDerWaalsContact C-N 3.28Å; S438-N440 PolarHBondContact O-N 3.39Å; S438-K441 PolarHBondContact O-N 3.39Å; S438-K441 VanDerWaalsContact O-N 3.07Å; S438-R442 PolarHBondContact O-N 3.2Å
439	P	97.1	Very high	97.6	Very high	31 Å²	31	52.3 Å²	52.3	20%	0.201	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-60.7	-35.8	-177.3	22.2	-32.7	0	0	0	112.5	K437 K441 R442 C445	K437-P439 WeakPolarHBondContact O-CD 3.4Å; P439-K441 PolarHBondContact O-N 2.99Å; P439-K441 VanDerWaalsContact O-N 3.1Å; P439-R442 WeakPolarHBondContact O-CB 3.43Å; P439-R442 PolarHBondContact O-N 2.81Å; P439-R442 VanDerWaalsContact O-N 3.07Å; P439-C445 WeakPolarHBondContact O-CB 3.27Å
440	N	96.3	Very high	97.4	Very high	133 Å²	133	51.3 Å²	51.3	71%	0.711	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-68.6	-10	179.6	-63	-24.8	0	0	0	114.6	S438	S438-N440 VanDerWaalsContact C-N 3.28Å; S438-N440 PolarHBondContact O-N 3.39Å
441	K	97.9	Very high	97.2	Very high	156 Å²	156	53.6 Å²	53.6	68%	0.678	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-113.8	-3.3	175.6	-63.5	-179.1	-179.8	177.5	0	112.2	T436 S438 P439	T436-K441 HydrophobicContact CG2-CB 3.88Å; S438-K441 PolarHBondContact O-N 3.39Å; S438-K441 VanDerWaalsContact O-N 3.07Å; P439-K441 PolarHBondContact O-N 2.99Å; P439-K441 VanDerWaalsContact O-N 3.1Å
442	R	98.5	Very high	97.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.316	C	S	.	.	S	Bend	trans	-76.1	140.2	-176.3	-169.4	178.2	-62.6	146.6	5	110.4	E370 S380 F434 T436 K437 S438 P439 G444 C445 V446	E370-R442 IonicContact OE1-CZ 3.13Å; E370-R442 IonicContact OE1-NH1 3.86Å; E370-R442 PolarHBondContact OE1-NH1 3.42Å; E370-R442 IonicContact OE1-NH2 3.22Å; E370-R442 IonicContact OE2-CZ 2.7Å; E370-R442 IonicContact OE2-NH1 3.94Å; E370-R442 PolarHBondContact OE2-NH1 3.26Å; E370-R442 IonicContact OE2-NH2 2.93Å; E370-R442 PolarHBondContact OE2-NH2 2.77Å; S380-R442 PolarHBondContact O-NH1 2.82Å; F434-R442 WeakPolarHBondContact O-CD 3.36Å; F434-R442 WeakPolarHBondContact O-CG 3.43Å; F434-R442 PolarHBondContact O-NE 3.24Å; T436-R442 PolarHBondContact O-NE 2.77Å; T436-R442 PolarHBondContact O-NH2 3.38Å; T436-R442 VanDerWaalsContact O-NH2 3.14Å; K437-R442 PolarHBondContact O-NH2 3.48Å; S438-R442 PolarHBondContact O-N 3.2Å; P439-R442 WeakPolarHBondContact O-CB 3.43Å; P439-R442 PolarHBondContact O-N 2.81Å; P439-R442 VanDerWaalsContact O-N 3.07Å; R442-G444 PolarHBondContact O-N 2.66Å; R442-C445 WeakPolarHBondContact O-CB 3.23Å; R442-C445 PolarHBondContact O-N 2.74Å; R442-V446 WeakPolarHBondContact O-CG2 3.31Å
443	L	98.6	Very high	97.1	Very high	13 Å²	13	53.5 Å²	53.5	7%	0.068	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	137	172.9	-176.6	67.6	0	0	0	110.2	I430 A433 F434 C445 A454 I455	I430-L443 HydrophobicContact CD1-CD2 3.34Å; A433-L443 HydrophobicContact CB-CB 3.77Å; A433-L443 HydrophobicContact CB-CD2 3.94Å; A433-L443 HydrophobicContact CB-CG 4.4Å; A433-L443 PolarHBondContact O-N 3.41Å; F434-L443 HydrophobicContact CD1-CB 4.23Å; F434-L443 HydrophobicContact CD1-CD2 4.32Å; F434-L443 HydrophobicContact CE1-CB 4.42Å; F434-L443 HydrophobicContact CE1-CD2 4.01Å; F434-L443 HydrophobicContact CE1-CG 4.29Å; F434-L443 HydrophobicContact CE2-CD2 4.4Å; F434-L443 HydrophobicContact CZ-CD2 4.06Å; L443-C445 VanDerWaalsContact C-N 3.33Å; L443-A454 HydrophobicContact CD1-CB 3.86Å; L443-I455 HydrophobicContact CD2-CG1 4.22Å; L443-I455 HydrophobicContact CG-CG1 3.89Å
444	G	97.3	Very high	97.1	Very high	5 Å²	5	53 Å²	53	5%	0.052	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.1	-18.1	-172.3	0	0	0	0	0	114	R442 C451 E452	R442-G444 PolarHBondContact O-N 2.66Å; G444-C451 CarbonylContact C-O 3.57Å; G444-C451 VanDerWaalsContact CA-O 3.27Å; G444-C451 WeakPolarHBondContact CA-O 3.43Å; G444-C451 CarbonylContact O-C 3.47Å; G444-C451 WeakPolarHBondContact O-CA 3.28Å; G444-E452 PolarHBondContact O-N 2.85Å
445	C	97.1	Very high	97	Very high	30 Å²	30	53 Å²	53	20%	0.203	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-9.9	-172.3	-56.1	0	0	0	0	114.4	S380 P439 R442 L443 P447	S380-C445 VanDerWaalsContact CB-SG 3.54Å; P439-C445 WeakPolarHBondContact O-CB 3.27Å; R442-C445 WeakPolarHBondContact O-CB 3.23Å; R442-C445 PolarHBondContact O-N 2.74Å; L443-C445 VanDerWaalsContact C-N 3.33Å; C445-P447 VanDerWaalsContact O-CD 3.27Å; C445-P447 WeakPolarHBondContact O-CD 3.24Å
446	V	96.9	Very high	97	Very high	22 Å²	22	55.4 Å²	55.4	13%	0.133	32%	0.322	C	S	.	.			trans	-87.1	112.9	-174.3	-174.1	0	0	0	0	110.9	R442 A448 Q449 G450 C451	R442-V446 WeakPolarHBondContact O-CG2 3.31Å; V446-A448 VanDerWaalsContact C-N 3.33Å; V446-A448 HydrophobicContact CG1-CB 4.36Å; V446-A448 PolarHBondContact O-N 3.38Å; V446-Q449 HydrophobicContact CB-CB 4.12Å; V446-Q449 HydrophobicContact CB-CG 4.05Å; V446-Q449 HydrophobicContact CG1-CB 4.28Å; V446-Q449 HydrophobicContact CG1-CG 3.83Å; V446-Q449 PolarHBondContact O-N 3.34Å; V446-G450 PolarHBondContact O-N 2.72Å; V446-C451 PolarHBondContact O-N 2.66Å
447	P	94.6	Very high	97	Very high	104 Å²	104	60.2 Å²	60.2	68%	0.675	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-61.4	-38.7	-177.3	-25.4	36.5	0	0	0	113.5	C445 Q449 G450	C445-P447 VanDerWaalsContact O-CD 3.27Å; C445-P447 WeakPolarHBondContact O-CD 3.24Å; P447-Q449 PolarHBondContact O-N 2.89Å; P447-Q449 VanDerWaalsContact O-N 3.12Å; P447-G450 PolarHBondContact O-N 3.34Å
448	A	95.5	Very high	97	Very high	105 Å²	105	58.2 Å²	58.2	87%	0.868	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-64.9	-14.9	178.3	0	0	0	0	0	113.9	V446	V446-A448 VanDerWaalsContact C-N 3.33Å; V446-A448 HydrophobicContact CG1-CB 4.36Å; V446-A448 PolarHBondContact O-N 3.38Å
449	Q	94.3	Very high	97.1	Very high	114 Å²	114	59.3 Å²	59.3	53%	0.533	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-103.1	-1.1	176.9	-63.3	178.5	-11.3	0	0	112.7	V446 P447 A454	V446-Q449 HydrophobicContact CB-CB 4.12Å; V446-Q449 HydrophobicContact CB-CG 4.05Å; V446-Q449 HydrophobicContact CG1-CB 4.28Å; V446-Q449 HydrophobicContact CG1-CG 3.83Å; V446-Q449 PolarHBondContact O-N 3.34Å; P447-Q449 PolarHBondContact O-N 2.89Å; P447-Q449 VanDerWaalsContact O-N 3.12Å; Q449-A454 HydrophobicContact CB-CB 4.08Å; Q449-A454 WeakPolarHBondContact O-CB 3.42Å
450	G	94.8	Very high	97.2	Very high	36 Å²	36	57.9 Å²	57.9	37%	0.371	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	20.8	-174.9	0	0	0	0	0	114.6	V446 P447 E452 D453	V446-G450 PolarHBondContact O-N 2.72Å; P447-G450 PolarHBondContact O-N 3.34Å; G450-E452 PolarHBondContact O-N 2.89Å; G450-D453 PolarHBondContact O-N 3.28Å; G450-D453 VanDerWaalsContact O-N 3.15Å
451	C	95.6	Very high	97.3	Very high	47 Å²	47	51.6 Å²	51.6	32%	0.318	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	-120	178.7	-62.1	0	0	0	0	112.4	G444 V446 D453 A454	G444-C451 CarbonylContact C-O 3.57Å; G444-C451 VanDerWaalsContact CA-O 3.27Å; G444-C451 WeakPolarHBondContact CA-O 3.43Å; G444-C451 CarbonylContact O-C 3.47Å; G444-C451 WeakPolarHBondContact O-CA 3.28Å; V446-C451 PolarHBondContact O-N 2.66Å; C451-D453 VanDerWaalsContact C-N 3.32Å; C451-D453 PolarHBondContact O-N 3.29Å; C451-A454 WeakPolarHBondContact O-CB 3.45Å; C451-A454 PolarHBondContact O-N 3.21Å
452	E	96.8	Very high	97.2	Very high	40 Å²	40	52.3 Å²	52.3	19%	0.187	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-31.5	-175.3	-53.9	-166.1	151.4	0	0	112.4	M314 H317 W383 G444 G450 A454 I455	M314-E452 VanDerWaalsContact CE-C 3.47Å; M314-E452 HydrophobicContact CE-CB 3.59Å; M314-E452 WeakPolarHBondContact CE-O 3.32Å; M314-E452 HydrophobicContact CG-CB 4.3Å; H317-E452 IonicContact CE1-OE1 3.09Å; H317-E452 IonicContact CG-OE1 2.78Å; H317-E452 IonicContact ND1-OE1 2.7Å; H317-E452 PolarHBondContact ND1-OE1 3.44Å; W383-E452 HydrophobicContact CZ2-CB 4.34Å; W383-E452 HydrophobicContact CZ2-CG 3.96Å; W383-E452 WeakPolarHBondContact CZ2-OE1 3.34Å; W383-E452 PolarHBondContact NE1-OE1 3.42Å; G444-E452 PolarHBondContact O-N 2.85Å; G450-E452 PolarHBondContact O-N 2.89Å; E452-A454 PolarHBondContact O-N 2.93Å; E452-A454 VanDerWaalsContact O-N 3.15Å; E452-I455 HydrophobicContact CB-CD1 4.5Å; E452-I455 VanDerWaalsContact O-CB 3.24Å; E452-I455 WeakPolarHBondContact O-CB 3.37Å; E452-I455 WeakPolarHBondContact O-CG1 3.41Å; E452-I455 PolarHBondContact O-N 3.46Å
453	D	97.3	Very high	97.2	Very high	103 Å²	103	57.9 Å²	57.9	55%	0.551	33%	0.325	S	S	*	.	H	α-helix	trans	-61.7	-26.6	177.6	-70.3	-40.9	0	0	0	112	G450 C451 I455 K456	G450-D453 PolarHBondContact O-N 3.28Å; G450-D453 VanDerWaalsContact O-N 3.15Å; C451-D453 VanDerWaalsContact C-N 3.32Å; C451-D453 PolarHBondContact O-N 3.29Å; D453-I455 PolarHBondContact O-N 3.29Å; D453-K456 PolarHBondContact O-N 2.83Å
454	A	98.2	Very high	97.1	Very high	11 Å²	11	58.2 Å²	58.2	9%	0.091	33%	0.326	C	S	.	.	H	α-helix	trans	-59.7	-30	174	0	0	0	0	0	112.8	L443 Q449 C451 E452 K456 L457 H458	L443-A454 HydrophobicContact CD1-CB 3.86Å; Q449-A454 HydrophobicContact CB-CB 4.08Å; Q449-A454 WeakPolarHBondContact O-CB 3.42Å; C451-A454 WeakPolarHBondContact O-CB 3.45Å; C451-A454 PolarHBondContact O-N 3.21Å; E452-A454 PolarHBondContact O-N 2.93Å; E452-A454 VanDerWaalsContact O-N 3.15Å; A454-K456 VanDerWaalsContact C-N 3.35Å; A454-L457 PolarHBondContact O-N 3.23Å; A454-H458 PolarHBondContact O-N 3.44Å
455	I	98.6	Very high	97.2	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-63.3	-44.8	179.1	-61.6	165.2	0	0	0	109.7	T310 M314 W383 F434 L443 E452 D453 L457 H458 F461	T310-I455 HydrophobicContact CG2-CB 4.5Å; T310-I455 HydrophobicContact CG2-CG2 3.76Å; M314-I455 HydrophobicContact CE-CB 4.31Å; M314-I455 HydrophobicContact CE-CD1 4.3Å; W383-I455 HydrophobicContact CD2-CD1 3.64Å; W383-I455 HydrophobicContact CE3-CD1 3.56Å; W383-I455 HydrophobicContact CG-CD1 4.46Å; W383-I455 HydrophobicContact CH2-CD1 3.64Å; W383-I455 HydrophobicContact CZ2-CD1 3.68Å; W383-I455 HydrophobicContact CZ3-CD1 3.57Å; F434-I455 HydrophobicContact CE1-CD1 3.96Å; F434-I455 HydrophobicContact CE1-CG1 3.97Å; F434-I455 HydrophobicContact CE1-CG2 4.44Å; F434-I455 HydrophobicContact CZ-CD1 4.29Å; F434-I455 HydrophobicContact CZ-CG1 4.12Å; F434-I455 HydrophobicContact CZ-CG2 3.74Å; L443-I455 HydrophobicContact CD2-CG1 4.22Å; L443-I455 HydrophobicContact CG-CG1 3.89Å; E452-I455 HydrophobicContact CB-CD1 4.5Å; E452-I455 VanDerWaalsContact O-CB 3.24Å; E452-I455 WeakPolarHBondContact O-CB 3.37Å; E452-I455 WeakPolarHBondContact O-CG1 3.41Å; E452-I455 PolarHBondContact O-N 3.46Å; D453-I455 PolarHBondContact O-N 3.29Å; I455-L457 PolarHBondContact O-N 2.94Å; I455-H458 WeakPolarHBondContact O-CB 3.4Å; I455-H458 PolarHBondContact O-N 3.45Å; I455-F461 HydrophobicContact CG2-CD2 4.33Å; I455-F461 HydrophobicContact CG2-CE2 3.88Å; I455-F461 VanDerWaalsContact O-CD2 3.32Å; I455-F461 WeakPolarHBondContact O-CD2 3.48Å
456	K	98.2	Very high	97.2	Very high	63 Å²	63	61.4 Å²	61.4	27%	0.274	34%	0.338	S	S	.	.	H	α-helix	trans	-63.5	-27.9	-179	-61.4	-172.5	-177.7	173.2	0	113.1	M314 D453 A454 W466	M314-K456 HydrophobicContact CE-CD 4.44Å; M314-K456 HydrophobicContact CE-CG 4.06Å; M314-K456 WeakPolarHBondContact SD-CE 3.26Å; D453-K456 PolarHBondContact O-N 2.83Å; A454-K456 VanDerWaalsContact C-N 3.35Å; K456-W466 HydrophobicContact CB-CD2 4.2Å; K456-W466 HydrophobicContact CB-CG 4.41Å; K456-W466 HydrophobicContact CB-CZ2 4Å; K456-W466 HydrophobicContact CD-CD2 3.92Å; K456-W466 HydrophobicContact CD-CE3 4.27Å; K456-W466 HydrophobicContact CD-CG 4.03Å; K456-W466 HydrophobicContact CG-CD2 3.78Å; K456-W466 HydrophobicContact CG-CE3 4.16Å; K456-W466 HydrophobicContact CG-CG 4.25Å; K456-W466 HydrophobicContact CG-CH2 4.22Å; K456-W466 HydrophobicContact CG-CZ2 3.85Å; K456-W466 HydrophobicContact CG-CZ3 4.36Å; K456-W466 PolarHBondContact O-NE1 2.99Å
457	L	97.9	Very high	97.3	Very high	142 Å²	142	66.8 Å²	66.8	74%	0.743	36%	0.363	S	S	*	.	H	α-helix	trans	-88.8	-10.8	-178.5	-60	176.9	0	0	0	113.4	A454 I455	A454-L457 PolarHBondContact O-N 3.23Å; I455-L457 PolarHBondContact O-N 2.94Å
458	H	98.6	Very high	97.4	Very high	19 Å²	19	65.1 Å²	65.1	9%	0.088	35%	0.348	C	S	.	.	S	Bend	trans	-63.8	136.6	-177.5	-172.9	-83.6	0	0	0	110.8	S429 I430 A454 I455 F460 F461	S429-H458 PolarHBondContact OG-NE2 3.46Å; S429-H458 VanDerWaalsContact OG-NE2 3.12Å; I430-H458 VanDerWaalsContact CA-CE1 3.49Å; I430-H458 WeakPolarHBondContact CA-CE1 3.44Å; I430-H458 VanDerWaalsContact CB-CE1 3.43Å; I430-H458 WeakPolarHBondContact CB-CE1 3.43Å; I430-H458 HydrophobicContact CD1-CB 3.82Å; I430-H458 WeakPolarHBondContact CD1-ND1 3.37Å; I430-H458 PolarHBondContact N-CE1 3.37Å; I430-H458 VanDerWaalsContact N-CE1 3.33Å; A454-H458 PolarHBondContact O-N 3.44Å; I455-H458 WeakPolarHBondContact O-CB 3.4Å; I455-H458 PolarHBondContact O-N 3.45Å; H458-F460 WeakPolarHBondContact ND1-CB 3.37Å; H458-F460 PolarHBondContact ND1-N 3.1Å; H458-F460 VanDerWaalsContact ND1-N 3.18Å; H458-F460 PolarHBondContact O-N 3.19Å; H458-F461 HydrophobicContact CB-CD2 4.42Å; H458-F461 PolarHBondContact O-N 3.16Å
459	P	98.6	Very high	97.6	Very high	71 Å²	71	60.1 Å²	60.1	46%	0.461	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-53.8	-27.9	-175.1	-30.4	35.9	0	0	0	115.6	E426 F461 R462	E426-P459 HydrophobicContact CG-CB 4.21Å; P459-F461 PolarHBondContact O-N 3.3Å; P459-R462 WeakPolarHBondContact O-CB 3.32Å; P459-R462 WeakPolarHBondContact O-CD 3.07Å; P459-R462 VanDerWaalsContact O-CG 3.29Å; P459-R462 WeakPolarHBondContact O-CG 3.45Å; P459-R462 PolarHBondContact O-N 2.86Å
460	F	98.8	Very high	97.6	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.009	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-58.8	-33.4	174.3	-174.6	-100.5	0	0	0	113	E299 R303 M390 M394 E426 A427 I430 H458	E299-F460 HydrophobicContact CB-CE2 4.46Å; R303-F460 HydrophobicContact CB-CD1 4.39Å; R303-F460 HydrophobicContact CB-CE1 3.62Å; R303-F460 HydrophobicContact CB-CZ 3.82Å; R303-F460 WeakPolarHBondContact CD-O 3.45Å; R303-F460 HydrophobicContact CG-CD1 4.11Å; R303-F460 HydrophobicContact CG-CE1 3.82Å; R303-F460 HydrophobicContact CG-CZ 4.39Å; R303-F460 WeakPolarHBondContact CG-O 3.34Å; R303-F460 PolarHBondContact NE-O 3.5Å; M390-F460 HydrophobicContact CE-CD1 3.73Å; M390-F460 HydrophobicContact CE-CE1 3.29Å; M390-F460 HydrophobicContact CE-CZ 3.91Å; M394-F460 HydrophobicContact CE-CZ 4.31Å; M394-F460 HydrophobicContact SD-CE2 4.05Å; M394-F460 HydrophobicContact SD-CZ 3.96Å; E426-F460 HydrophobicContact CB-CD2 4.49Å; A427-F460 HydrophobicContact CB-CD2 4.22Å; A427-F460 HydrophobicContact CB-CE2 3.93Å; I430-F460 HydrophobicContact CB-CB 3.86Å; I430-F460 HydrophobicContact CB-CD1 4.47Å; I430-F460 HydrophobicContact CB-CG 4.13Å; I430-F460 HydrophobicContact CG1-CB 4.35Å; I430-F460 HydrophobicContact CG1-CD1 4.44Å; I430-F460 HydrophobicContact CG2-CB 3.86Å; I430-F460 HydrophobicContact CG2-CD1 3.91Å; I430-F460 HydrophobicContact CG2-CD2 3.82Å; I430-F460 HydrophobicContact CG2-CE1 4.4Å; I430-F460 HydrophobicContact CG2-CE2 4.33Å; I430-F460 HydrophobicContact CG2-CG 3.58Å; H458-F460 WeakPolarHBondContact ND1-CB 3.37Å; H458-F460 PolarHBondContact ND1-N 3.1Å; H458-F460 VanDerWaalsContact ND1-N 3.18Å; H458-F460 PolarHBondContact O-N 3.19Å
461	F	98.7	Very high	97.7	Very high	1 Å²	1	61.2 Å²	61.2	0%	0.004	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-96.4	9.3	-179.8	-64.8	-70.8	0	0	0	113.8	R303 A306 A307 M390 I430 I455 H458 P459 E463 I464 W466	R303-F461 HydrophobicContact CG-CD1 3.89Å; R303-F461 HydrophobicContact CG-CE1 4.3Å; A306-F461 HydrophobicContact CB-CE1 4.01Å; A306-F461 HydrophobicContact CB-CZ 4.1Å; A307-F461 HydrophobicContact CB-CD1 4.17Å; A307-F461 HydrophobicContact CB-CE1 4.14Å; M390-F461 HydrophobicContact CE-CZ 4.24Å; M390-F461 HydrophobicContact SD-CZ 4.4Å; I430-F461 HydrophobicContact CD1-CD2 4.39Å; I430-F461 HydrophobicContact CD1-CE2 3.87Å; I430-F461 HydrophobicContact CG1-CE2 4.17Å; I455-F461 HydrophobicContact CG2-CD2 4.33Å; I455-F461 HydrophobicContact CG2-CE2 3.88Å; I455-F461 VanDerWaalsContact O-CD2 3.32Å; I455-F461 WeakPolarHBondContact O-CD2 3.48Å; H458-F461 HydrophobicContact CB-CD2 4.42Å; H458-F461 PolarHBondContact O-N 3.16Å; P459-F461 PolarHBondContact O-N 3.3Å; F461-E463 PolarHBondContact O-N 2.77Å; F461-I464 HydrophobicContact CB-CG1 4.47Å; F461-I464 HydrophobicContact CD1-CG1 4.22Å; F461-I464 WeakPolarHBondContact O-CB 3.41Å; F461-I464 PolarHBondContact O-N 3.49Å; F461-W466 HydrophobicContact CB-CZ2 3.82Å; F461-W466 HydrophobicContact CD1-CH2 4.29Å; F461-W466 HydrophobicContact CD1-CZ2 4.09Å; F461-W466 HydrophobicContact CD2-CZ2 4.38Å; F461-W466 HydrophobicContact CG-CH2 4.4Å; F461-W466 AromaticContact CG-CZ2 3.86Å; F461-W466 HydrophobicContact CG-CZ2 3.86Å
462	R	97.5	Very high	97.8	Very high	171 Å²	171	62.1 Å²	62.1	65%	0.645	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-25.3	-175.4	74.5	-173.2	177	-170.3	-7.3	115.1	P459	P459-R462 WeakPolarHBondContact O-CB 3.32Å; P459-R462 WeakPolarHBondContact O-CD 3.07Å; P459-R462 VanDerWaalsContact O-CG 3.29Å; P459-R462 WeakPolarHBondContact O-CG 3.45Å; P459-R462 PolarHBondContact O-N 2.86Å
463	E	96.7	Very high	97.8	Very high	116 Å²	116	66.8 Å²	66.8	54%	0.542	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-5.3	-178.8	-70.6	169.2	-152.5	0	0	112.8	R303 F461	R303-E463 IonicContact CZ-OE2 3.02Å; R303-E463 IonicContact NH1-OE1 3.35Å; R303-E463 IonicContact NH1-OE2 3.93Å; R303-E463 PolarHBondContact NH1-OE2 2.93Å; F461-E463 PolarHBondContact O-N 2.77Å
464	I	98.4	Very high	97.8	Very high	21 Å²	21	63.6 Å²	63.6	11%	0.108	31%	0.305	C	S	.	.			trans	-92.3	117.5	-179.6	-56.5	-58.1	0	0	0	109.6	R303 A307 F461 W466 L469 I474	R303-I464 HydrophobicContact CG-CD1 4.14Å; R303-I464 HydrophobicContact CG-CG1 4.02Å; A307-I464 HydrophobicContact CB-CD1 4.32Å; A307-I464 HydrophobicContact CB-CG1 4.04Å; A307-I464 HydrophobicContact CB-CG2 4Å; F461-I464 HydrophobicContact CB-CG1 4.47Å; F461-I464 HydrophobicContact CD1-CG1 4.22Å; F461-I464 WeakPolarHBondContact O-CB 3.41Å; F461-I464 PolarHBondContact O-N 3.49Å; I464-W466 HydrophobicContact CG2-CD2 4.08Å; I464-W466 HydrophobicContact CG2-CE3 4.43Å; I464-W466 HydrophobicContact CG2-CG 4.37Å; I464-W466 HydrophobicContact CG2-CZ2 4.49Å; I464-W466 PolarHBondContact O-N 3.3Å; I464-L469 HydrophobicContact CG2-CB 4.32Å; I464-L469 HydrophobicContact CG2-CD1 4.35Å; I464-L469 HydrophobicContact CG2-CD2 4.21Å; I464-I474 HydrophobicContact CG2-CD1 4.34Å
465	D	98.3	Very high	97.8	Very high	69 Å²	69	72 Å²	72	37%	0.369	34%	0.34	S	S	.	.			trans	-82.1	101	162.7	-175	-38.2	0	0	0	108.8	M467 L468 L469 I474	D465-M467 PolarHBondContact O-N 3.07Å; D465-M467 WeakPolarHBondContact OD1-CB 3.47Å; D465-M467 PolarHBondContact OD1-N 2.78Å; D465-L468 HydrophobicContact CB-CB 4.08Å; D465-L468 HydrophobicContact CB-CD1 4.02Å; D465-L468 HydrophobicContact CB-CG 4.11Å; D465-L468 PolarHBondContact O-N 2.86Å; D465-L468 PolarHBondContact OD1-N 2.96Å; D465-L469 WeakPolarHBondContact O-CB 3.44Å; D465-L469 PolarHBondContact O-N 3.26Å; D465-I474 WeakPolarHBondContact O-CD1 3.24Å
466	W	98	Very high	97.7	Very high	33 Å²	33	73 Å²	73	13%	0.125	35%	0.346	C	S	.	.	H	α-helix	trans	-60.8	-30.9	-176.7	-64.7	93.9	0	0	0	113.4	A307 T310 K456 F461 I464 L469 D470	A307-W466 HydrophobicContact CB-CH2 3.97Å; A307-W466 HydrophobicContact CB-CZ3 4.09Å; T310-W466 HydrophobicContact CG2-CH2 3.92Å; T310-W466 HydrophobicContact CG2-CZ3 4.06Å; K456-W466 HydrophobicContact CB-CD2 4.2Å; K456-W466 HydrophobicContact CB-CG 4.41Å; K456-W466 HydrophobicContact CB-CZ2 4Å; K456-W466 HydrophobicContact CD-CD2 3.92Å; K456-W466 HydrophobicContact CD-CE3 4.27Å; K456-W466 HydrophobicContact CD-CG 4.03Å; K456-W466 HydrophobicContact CG-CD2 3.78Å; K456-W466 HydrophobicContact CG-CE3 4.16Å; K456-W466 HydrophobicContact CG-CG 4.25Å; K456-W466 HydrophobicContact CG-CH2 4.22Å; K456-W466 HydrophobicContact CG-CZ2 3.85Å; K456-W466 HydrophobicContact CG-CZ3 4.36Å; K456-W466 PolarHBondContact O-NE1 2.99Å; F461-W466 HydrophobicContact CB-CZ2 3.82Å; F461-W466 HydrophobicContact CD1-CH2 4.29Å; F461-W466 HydrophobicContact CD1-CZ2 4.09Å; F461-W466 HydrophobicContact CD2-CZ2 4.38Å; F461-W466 HydrophobicContact CG-CH2 4.4Å; F461-W466 AromaticContact CG-CZ2 3.86Å; F461-W466 HydrophobicContact CG-CZ2 3.86Å; I464-W466 HydrophobicContact CG2-CD2 4.08Å; I464-W466 HydrophobicContact CG2-CE3 4.43Å; I464-W466 HydrophobicContact CG2-CG 4.37Å; I464-W466 HydrophobicContact CG2-CZ2 4.49Å; I464-W466 PolarHBondContact O-N 3.3Å; W466-L469 HydrophobicContact CE3-CD2 3.71Å; W466-L469 HydrophobicContact CZ3-CD2 3.88Å; W466-L469 WeakPolarHBondContact O-CB 3.47Å; W466-L469 PolarHBondContact O-N 3.17Å; W466-D470 VanDerWaalsContact O-CG 3.23Å; W466-D470 PolarHBondContact O-N 3.17Å
467	M	97.5	Very high	97.6	Very high	135 Å²	135	72.7 Å²	72.7	67%	0.665	35%	0.351	S	S	*	.	H	α-helix	trans	-70.4	-41.6	176.9	-67	-168.2	-64.1	0	0	111.4	D465 L469 Q471	D465-M467 PolarHBondContact O-N 3.07Å; D465-M467 WeakPolarHBondContact OD1-CB 3.47Å; D465-M467 PolarHBondContact OD1-N 2.78Å; M467-L469 VanDerWaalsContact C-N 3.34Å; M467-Q471 VanDerWaalsContact O-CG 3.27Å; M467-Q471 WeakPolarHBondContact O-CG 3.33Å; M467-Q471 PolarHBondContact O-N 2.83Å
468	L	98.3	Very high	97.5	Very high	68 Å²	68	68.5 Å²	68.5	36%	0.356	33%	0.326	S	S	.	.	H	α-helix	trans	-69.5	-34.8	174.8	-65.2	-179.1	0	0	0	111.6	D465 Q471 K472 K473 I474	D465-L468 HydrophobicContact CB-CB 4.08Å; D465-L468 HydrophobicContact CB-CD1 4.02Å; D465-L468 HydrophobicContact CB-CG 4.11Å; D465-L468 PolarHBondContact O-N 2.86Å; D465-L468 PolarHBondContact OD1-N 2.96Å; L468-Q471 PolarHBondContact O-N 3.34Å; L468-K472 PolarHBondContact O-N 3.34Å; L468-K473 HydrophobicContact CB-CB 4.21Å; L468-K473 HydrophobicContact CD2-CB 4.09Å; L468-K473 HydrophobicContact CD2-CD 3.96Å; L468-K473 PolarHBondContact O-N 2.72Å; L468-I474 HydrophobicContact CB-CD1 4.37Å; L468-I474 HydrophobicContact CB-CG1 3.84Å
469	L	98.3	Very high	97.3	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-59.6	-54.3	173.2	-170.2	84.5	0	0	0	110.1	Y261 A307 E308 I464 D465 W466 M467 Q471 K472 I474	Y261-L469 HydrophobicContact CE2-CG 4.21Å; Y261-L469 PolarHBondContact OH-O 2.88Å; A307-L469 HydrophobicContact CB-CD1 4.27Å; A307-L469 HydrophobicContact CB-CD2 3.83Å; A307-L469 WeakPolarHBondContact O-CD2 3.44Å; E308-L469 HydrophobicContact CG-CD1 3.79Å; E308-L469 HydrophobicContact CG-CG 4.42Å; I464-L469 HydrophobicContact CG2-CB 4.32Å; I464-L469 HydrophobicContact CG2-CD1 4.35Å; I464-L469 HydrophobicContact CG2-CD2 4.21Å; D465-L469 WeakPolarHBondContact O-CB 3.44Å; D465-L469 PolarHBondContact O-N 3.26Å; W466-L469 HydrophobicContact CE3-CD2 3.71Å; W466-L469 HydrophobicContact CZ3-CD2 3.88Å; W466-L469 WeakPolarHBondContact O-CB 3.47Å; W466-L469 PolarHBondContact O-N 3.17Å; M467-L469 VanDerWaalsContact C-N 3.34Å; L469-Q471 PolarHBondContact O-N 3.46Å; L469-K472 PolarHBondContact O-N 2.87Å; L469-I474 HydrophobicContact CB-CD1 3.88Å; L469-I474 HydrophobicContact CD1-CD1 3.99Å
470	D	95.5	Very high	96.9	Very high	66 Å²	66	70.8 Å²	70.8	35%	0.353	33%	0.33	S	S	.	.	H	α-helix	trans	-63.3	-21.3	-177.5	-66.6	-21.9	0	0	0	112.7	S311 W466	S311-D470 WeakPolarHBondContact CB-OD1 3.24Å; S311-D470 PolarHBondContact OG-OD1 2.91Å; W466-D470 VanDerWaalsContact O-CG 3.23Å; W466-D470 PolarHBondContact O-N 3.17Å
471	Q	96.4	Very high	96.4	Very high	108 Å²	108	81.3 Å²	81.3	51%	0.505	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	5.1	174.1	-65.9	173.4	28.8	0	0	114.2	M467 L468 L469 K473	M467-Q471 VanDerWaalsContact O-CG 3.27Å; M467-Q471 WeakPolarHBondContact O-CG 3.33Å; M467-Q471 PolarHBondContact O-N 2.83Å; L468-Q471 PolarHBondContact O-N 3.34Å; L469-Q471 PolarHBondContact O-N 3.46Å; Q471-K473 HydrophobicContact CB-CD 3.98Å; Q471-K473 HydrophobicContact CB-CG 3.97Å; Q471-K473 PolarHBondContact O-N 3.4Å; Q471-K473 VanDerWaalsContact OE1-CE 3.27Å
472	K	97	Very high	96	Very high	65 Å²	65	83.6 Å²	83.6	28%	0.283	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	37.8	-170.2	-65.1	-171.7	81.2	-178.7	0	113.6	P260 Y261 D334 H338 L468 L469	P260-K472 HydrophobicContact CB-CD 3.68Å; P260-K472 HydrophobicContact CB-CG 3.69Å; P260-K472 HydrophobicContact CG-CG 4.43Å; Y261-K472 HydrophobicContact CE1-CD 4.4Å; Y261-K472 HydrophobicContact CE1-CG 3.9Å; D334-K472 IonicContact OD2-NZ 2.67Å; D334-K472 PolarHBondContact OD2-NZ 3.27Å; H338-K472 WeakPolarHBondContact CD2-CE 3.31Å; L468-K472 PolarHBondContact O-N 3.34Å; L469-K472 PolarHBondContact O-N 2.87Å
473	K	97.6	Very high	95.4	Very high	138 Å²	138	84 Å²	84	60%	0.6	39%	0.387	S	S	*	.			trans	-96.9	-10.1	-180	-71.7	180	178.7	169.9	0	113.9	L468 Q471	L468-K473 HydrophobicContact CB-CB 4.21Å; L468-K473 HydrophobicContact CD2-CB 4.09Å; L468-K473 HydrophobicContact CD2-CD 3.96Å; L468-K473 PolarHBondContact O-N 2.72Å; Q471-K473 HydrophobicContact CB-CD 3.98Å; Q471-K473 HydrophobicContact CB-CG 3.97Å; Q471-K473 PolarHBondContact O-N 3.4Å; Q471-K473 VanDerWaalsContact OE1-CE 3.27Å
474	I	97.8	Very high	95	Very high	37 Å²	37	82.2 Å²	82.2	19%	0.19	38%	0.384	C	S	.	.	S	Bend	trans	-81.5	127.2	172.9	-56.5	-176	0	0	0	108.7	F304 H338 I464 D465 L468 L469 P476	F304-I474 HydrophobicContact CD2-CG2 3.95Å; F304-I474 HydrophobicContact CE2-CB 4.04Å; F304-I474 HydrophobicContact CE2-CG2 3.63Å; H338-I474 PolarHBondContact CE1-O 3.2Å; H338-I474 VanDerWaalsContact CE1-O 3.23Å; I464-I474 HydrophobicContact CG2-CD1 4.34Å; D465-I474 WeakPolarHBondContact O-CD1 3.24Å; L468-I474 HydrophobicContact CB-CD1 4.37Å; L468-I474 HydrophobicContact CB-CG1 3.84Å; L469-I474 HydrophobicContact CB-CD1 3.88Å; L469-I474 HydrophobicContact CD1-CD1 3.99Å; I474-P476 WeakPolarHBondContact O-CD 3.48Å
475	K	97.3	Very high	94.5	Very high	187 Å²	187	87.5 Å²	87.5	81%	0.813	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-67.6	128	179.5	-177.2	-179.6	177.3	-177.9	0	110.9
476	P	97.4	Very high	94.1	Very high	20 Å²	20	88.8 Å²	88.8	13%	0.13	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-61.5	145.6	175.9	-28	37.3	0	0	0	113.8	F304 D336 H338 I474 F478	F304-P476 HydrophobicContact CE1-CB 4.03Å; F304-P476 HydrophobicContact CE1-CG 4.34Å; F304-P476 HydrophobicContact CZ-CB 3.99Å; F304-P476 HydrophobicContact CZ-CG 3.94Å; D336-P476 WeakPolarHBondContact O-CG 3.32Å; H338-P476 VanDerWaalsContact CD2-CG 3.45Å; H338-P476 WeakPolarHBondContact CD2-CG 3.26Å; H338-P476 VanDerWaalsContact NE2-CG 3.34Å; H338-P476 WeakPolarHBondContact NE2-CG 3.31Å; I474-P476 WeakPolarHBondContact O-CD 3.48Å; P476-F478 PolarHBondContact O-N 3.16Å
477	P	96	Very high	93.6	Very high	58 Å²	58	87.7 Å²	87.7	38%	0.377	40%	0.403	S	S	.	.	S	Bend	trans	-72.2	-18.9	179.7	30.3	-37.3	0	0	0	113	R301 F304 Y305	R301-P477 HydrophobicContact CB-CB 4.2Å; R301-P477 HydrophobicContact CB-CG 4.12Å; R301-P477 HydrophobicContact CG-CB 4.23Å; R301-P477 HydrophobicContact CG-CG 3.76Å; F304-P477 HydrophobicContact CB-CG 4.12Å; F304-P477 HydrophobicContact CD1-CG 3.84Å; F304-P477 HydrophobicContact CG-CG 4.05Å; Y305-P477 HydrophobicContact CE1-CG 4.38Å
478	F	94.6	Very high	93.2	Very high	53 Å²	53	82.6 Å²	82.6	23%	0.232	38%	0.379	C	S	.	.			trans	-141.7	131.9	179.7	167.4	-101.1	0	0	0	109	Q290 L333 G337 P476 P480	Q290-F478 HydrophobicContact CG-CE1 4.25Å; Q290-F478 VanDerWaalsContact OE1-CZ 3.29Å; L333-F478 HydrophobicContact CD1-CD1 3.91Å; L333-F478 HydrophobicContact CD1-CE1 4.07Å; G337-F478 WeakPolarHBondContact CA-O 3.24Å; P476-F478 PolarHBondContact O-N 3.16Å; F478-P480 HydrophobicContact CD1-CG 4.29Å; F478-P480 HydrophobicContact CE1-CB 4.18Å; F478-P480 HydrophobicContact CE1-CG 3.8Å
479	K	94.3	Very high	92.6	Very high	131 Å²	131	84.3 Å²	84.3	57%	0.57	39%	0.389	S	S	*	.			trans	-110.7	117.7	174	-177.2	160.6	179.2	145.5	0	109.3	A335 D336	A335-K479 WeakPolarHBondContact O-CE 3.31Å; D336-K479 IonicContact OD1-NZ 2.8Å; D336-K479 PolarHBondContact OD1-NZ 3.11Å
480	P	91.4	Very high	91.9	Very high	7 Å²	7	85.2 Å²	85.2	5%	0.045	39%	0.394	C	S	.	.			trans	-58.5	148.3	177.8	-23.9	33.3	0	0	0	112.2	L333 D334 F478 I482	L333-P480 HydrophobicContact CB-CG 4.1Å; L333-P480 HydrophobicContact CD1-CG 4.35Å; D334-P480 WeakPolarHBondContact O-CG 3.39Å; F478-P480 HydrophobicContact CD1-CG 4.29Å; F478-P480 HydrophobicContact CE1-CB 4.18Å; F478-P480 HydrophobicContact CE1-CG 3.8Å; P480-I482 HydrophobicContact CB-CD1 4.17Å; P480-I482 HydrophobicContact CB-CG1 4.07Å; P480-I482 PolarHBondContact O-N 2.69Å
481	R	88	Confident	91.2	Very high	224 Å²	224	83.5 Å²	83.5	85%	0.845	38%	0.383	S	S	*	.			trans	-86.5	109.4	174.8	-69.2	-175.4	179.2	-175.8	-0.1	109.1
482	I	89.2	Confident	90.5	Very high	48 Å²	48	82.3 Å²	82.3	25%	0.246	38%	0.38	C	S	.	.			trans	-126.7	123.1	-175.7	-53.5	-167.4	0	0	0	108.5	N283 A335 P480 T484 D487	N283-I482 HydrophobicContact CB-CD1 4.27Å; N283-I482 VanDerWaalsContact CG-CD1 3.4Å; N283-I482 VanDerWaalsContact ND2-CG2 3.31Å; N283-I482 WeakPolarHBondContact ND2-CG2 3.36Å; N283-I482 WeakPolarHBondContact OD1-CD1 3.43Å; A335-I482 HydrophobicContact CB-CD1 3.9Å; P480-I482 HydrophobicContact CB-CD1 4.17Å; P480-I482 HydrophobicContact CB-CG1 4.07Å; P480-I482 PolarHBondContact O-N 2.69Å; I482-T484 WeakPolarHBondContact CG2-O 3.47Å; I482-D487 HydrophobicContact CG2-CB 4.09Å
483	K	86.3	Confident	89.9	Confident	179 Å²	179	84.7 Å²	84.7	78%	0.778	39%	0.392	S	S	*	.			trans	-89.2	-38.7	-178.2	-66.3	-178.7	-178.9	177	0	112.7	D487	K483-D487 PolarHBondContact N-OD2 3.2Å
484	T	88.5	Confident	89.3	Confident	79 Å²	79	83.3 Å²	83.3	49%	0.485	39%	0.392	S	S	.	.	S	Bend	trans	-143.1	163.4	-175.2	72.7	0	0	0	0	110.7	I482 R486 D487	I482-T484 WeakPolarHBondContact CG2-O 3.47Å; T484-R486 PolarHBondContact O-N 2.92Å; T484-R486 PolarHBondContact OG1-N 3.04Å; T484-D487 WeakPolarHBondContact O-CB 3.35Å; T484-D487 PolarHBondContact O-N 3.02Å; T484-D487 VanDerWaalsContact O-N 3.15Å; T484-D487 PolarHBondContact OG1-N 3.45Å
485	K	86.4	Confident	88.8	Confident	133 Å²	133	84.5 Å²	84.5	58%	0.578	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-25.7	173.9	-66.2	-175.3	177.9	-177.9	0	113	V226 Y281	V226-K485 HydrophobicContact CG2-CB 4.19Å; Y281-K485 WeakPolarHBondContact CD1-O 3.5Å; Y281-K485 VanDerWaalsContact CE1-O 3.31Å; Y281-K485 WeakPolarHBondContact CE1-O 2.87Å
486	R	90.3	Very high	88.3	Confident	95 Å²	95	76.3 Å²	76.3	36%	0.358	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	9.8	-178.7	-59.8	173.1	-176	94.1	-0.4	112.6	I204 E219 D224 V226 T484 V488	I204-R486 HydrophobicContact CD1-CG 4.39Å; E219-R486 IonicContact OE1-CZ 3.83Å; E219-R486 IonicContact OE1-NH2 2.91Å; E219-R486 PolarHBondContact OE1-NH2 3.41Å; E219-R486 IonicContact OE2-CZ 3.22Å; E219-R486 VanDerWaalsContact OE2-CZ 3.22Å; E219-R486 IonicContact OE2-NE 2.73Å; E219-R486 PolarHBondContact OE2-NE 3.14Å; E219-R486 IonicContact OE2-NH2 2.83Å; E219-R486 PolarHBondContact OE2-NH2 2.89Å; D224-R486 IonicContact OD1-CZ 3.76Å; D224-R486 IonicContact OD1-NH1 3.79Å; D224-R486 IonicContact OD1-NH2 3.95Å; D224-R486 PolarHBondContact OD1-NH2 3.1Å; V226-R486 HydrophobicContact CG1-CG 3.92Å; T484-R486 PolarHBondContact O-N 2.92Å; T484-R486 PolarHBondContact OG1-N 3.04Å; R486-V488 PolarHBondContact O-N 3.02Å
487	D	88.6	Confident	88	Confident	10 Å²	10	83.8 Å²	83.8	5%	0.053	39%	0.387	C	S	.	.			trans	-70.9	122.2	-171.4	-166.1	-5.7	0	0	0	112	Y281 I482 K483 T484 N489	Y281-D487 PolarHBondContact OH-O 3.29Å; I482-D487 HydrophobicContact CG2-CB 4.09Å; K483-D487 PolarHBondContact N-OD2 3.2Å; T484-D487 WeakPolarHBondContact O-CB 3.35Å; T484-D487 PolarHBondContact O-N 3.02Å; T484-D487 VanDerWaalsContact O-N 3.15Å; T484-D487 PolarHBondContact OG1-N 3.45Å; D487-N489 VanDerWaalsContact OD1-CB 3.29Å; D487-N489 WeakPolarHBondContact OD1-CB 3.39Å; D487-N489 PolarHBondContact OD1-N 3.38Å; D487-N489 PolarHBondContact OD1-ND2 2.93Å; D487-N489 PolarHBondContact OD2-ND2 2.7Å
488	V	87.6	Confident	87.7	Confident	28 Å²	28	83.5 Å²	83.5	17%	0.17	38%	0.381	C	S	.	.			trans	-109.9	11.8	179.7	-61.6	0	0	0	0	113.1	K205 L207 L217 R486 N490 F491 T496	K205-V488 HydrophobicContact CB-CG1 4.25Å; K205-V488 HydrophobicContact CG-CG1 4.26Å; K205-V488 HydrophobicContact CG-CG2 4.48Å; L207-V488 HydrophobicContact CD2-CG1 3.88Å; L217-V488 HydrophobicContact CD2-CG1 3.86Å; R486-V488 PolarHBondContact O-N 3.02Å; V488-N490 PolarHBondContact O-N 3.03Å; V488-N490 VanDerWaalsContact O-N 3.09Å; V488-F491 HydrophobicContact CB-CD2 4.16Å; V488-F491 PolarHBondContact O-N 3.01Å; V488-T496 HydrophobicContact CB-CG2 3.87Å; V488-T496 HydrophobicContact CG2-CG2 4Å
489	N	85.9	Confident	87.5	Confident	105 Å²	105	87.8 Å²	87.8	56%	0.561	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.6	-175.6	-72.4	-42.4	0	0	0	114.6	D487	D487-N489 VanDerWaalsContact OD1-CB 3.29Å; D487-N489 WeakPolarHBondContact OD1-CB 3.39Å; D487-N489 PolarHBondContact OD1-N 3.38Å; D487-N489 PolarHBondContact OD1-ND2 2.93Å; D487-N489 PolarHBondContact OD2-ND2 2.7Å
490	N	83	Confident	87.4	Confident	18 Å²	18	83.1 Å²	83.1	10%	0.096	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	11.8	177.6	-55.4	-51.3	0	0	0	112.8	N283 G285 F289 V488	N283-N490 PolarHBondContact O-ND2 3.28Å; G285-N490 WeakPolarHBondContact CA-O 3.2Å; F289-N490 HydrophobicContact CE1-CB 4.38Å; V488-N490 PolarHBondContact O-N 3.03Å; V488-N490 VanDerWaalsContact O-N 3.09Å
491	F	82.4	Confident	87.4	Confident	30 Å²	30	86.6 Å²	86.6	13%	0.132	41%	0.406	C	S	.	.	S	Bend	trans	-110.6	157.8	175.7	-66.6	-97.2	0	0	0	110.7	L207 Y281 V282 V488 Q493 T496	L207-F491 HydrophobicContact CB-CD1 3.99Å; L207-F491 HydrophobicContact CB-CE1 4Å; L207-F491 HydrophobicContact CD1-CE1 4.29Å; L207-F491 HydrophobicContact CD1-CZ 4.46Å; L207-F491 HydrophobicContact CD2-CD1 3.85Å; L207-F491 HydrophobicContact CD2-CD2 4.15Å; L207-F491 HydrophobicContact CD2-CE1 3.87Å; L207-F491 HydrophobicContact CD2-CE2 4.17Å; L207-F491 HydrophobicContact CD2-CG 3.99Å; L207-F491 HydrophobicContact CD2-CZ 4.02Å; L207-F491 HydrophobicContact CG-CD1 4.45Å; L207-F491 HydrophobicContact CG-CE1 4.27Å; Y281-F491 HydrophobicContact CE2-CE1 4.48Å; Y281-F491 AromaticContact CE2-CE2 3.82Å; Y281-F491 HydrophobicContact CE2-CE2 3.82Å; Y281-F491 AromaticContact CE2-CZ 3.53Å; Y281-F491 HydrophobicContact CE2-CZ 3.53Å; Y281-F491 AromaticContact CZ-CE2 3.82Å; Y281-F491 WeakPolarHBondContact OH-CE2 3.47Å; V282-F491 WeakPolarHBondContact O-CZ 3.29Å; V488-F491 HydrophobicContact CB-CD2 4.16Å; V488-F491 PolarHBondContact O-N 3.01Å; F491-Q493 PolarHBondContact O-N 3.42Å; F491-T496 HydrophobicContact CB-CG2 3.76Å
492	D	81.6	Confident	87.4	Confident	83 Å²	83	78.4 Å²	78.4	44%	0.444	38%	0.378	S	S	.	.			trans	-59.3	133	177.6	-161.5	-40.6	0	0	0	111.4	D494 F495 T496	D492-D494 VanDerWaalsContact C-N 3.25Å; D492-D494 PolarHBondContact O-N 2.79Å; D492-D494 WeakPolarHBondContact OD1-CB 3.25Å; D492-D494 PolarHBondContact OD1-N 3.02Å; D492-F495 HydrophobicContact CB-CD2 3.59Å; D492-F495 HydrophobicContact CB-CE2 3.88Å; D492-F495 HydrophobicContact CB-CG 4.44Å; D492-F495 PolarHBondContact O-N 3.41Å; D492-T496 WeakPolarHBondContact O-CG2 3.36Å; D492-T496 PolarHBondContact O-N 3.34Å; D492-T496 VanDerWaalsContact O-N 3.08Å; D492-T496 PolarHBondContact O-OG1 3.04Å
493	Q	83.9	Confident	87.3	Confident	115 Å²	115	79.4 Å²	79.4	54%	0.537	39%	0.387	S	S	.	.	H	α-helix	trans	-67.6	-27.3	179.1	-66.5	-171.4	17.4	0	0	112.6	F491 F495 T496 R497	F491-Q493 PolarHBondContact O-N 3.42Å; Q493-F495 VanDerWaalsContact C-N 3.27Å; Q493-F495 PolarHBondContact O-N 3.22Å; Q493-T496 WeakPolarHBondContact CA-OG1 3.2Å; Q493-R497 VanDerWaalsContact O-CB 3.3Å; Q493-R497 WeakPolarHBondContact O-CB 3.48Å; Q493-R497 VanDerWaalsContact O-CD 3.3Å; Q493-R497 WeakPolarHBondContact O-CD 3.49Å; Q493-R497 WeakPolarHBondContact O-CG 3.47Å; Q493-R497 PolarHBondContact O-N 2.86Å; Q493-R497 VanDerWaalsContact O-N 3.13Å
494	D	84.9	Confident	87.3	Confident	109 Å²	109	76.6 Å²	76.6	58%	0.583	39%	0.386	S	S	*	.	H	α-helix	trans	-64.6	-35.7	177.4	-75.5	-9.9	0	0	0	110.7	D492	D492-D494 VanDerWaalsContact C-N 3.25Å; D492-D494 PolarHBondContact O-N 2.79Å; D492-D494 WeakPolarHBondContact OD1-CB 3.25Å; D492-D494 PolarHBondContact OD1-N 3.02Å
495	F	86.3	Confident	87.3	Confident	63 Å²	63	73.8 Å²	73.8	28%	0.276	37%	0.369	S	S	.	.	H	α-helix	trans	-78.9	-48.7	174.2	-55.2	-45.8	0	0	0	112.4	V206 K209 D492 Q493 R497 E498	V206-F495 HydrophobicContact CG1-CB 4.4Å; V206-F495 CarbonylContact O-C 3.18Å; K209-F495 HydrophobicContact CB-CE1 4.24Å; K209-F495 HydrophobicContact CG-CD1 4.39Å; K209-F495 HydrophobicContact CG-CE1 4.43Å; D492-F495 HydrophobicContact CB-CD2 3.59Å; D492-F495 HydrophobicContact CB-CE2 3.88Å; D492-F495 HydrophobicContact CB-CG 4.44Å; D492-F495 PolarHBondContact O-N 3.41Å; Q493-F495 VanDerWaalsContact C-N 3.27Å; Q493-F495 PolarHBondContact O-N 3.22Å; F495-R497 PolarHBondContact O-N 3.3Å; F495-R497 VanDerWaalsContact O-N 3.1Å; F495-E498 WeakPolarHBondContact O-CB 3.26Å; F495-E498 PolarHBondContact O-N 3.48Å
496	T	88.4	Confident	87.4	Confident	15 Å²	15	72.3 Å²	72.3	9%	0.092	37%	0.368	C	S	.	.	H	α-helix	trans	-69.5	-11.9	-173.6	57.7	0	0	0	0	114.1	K205 V206 V488 F491 D492 Q493	K205-T496 VanDerWaalsContact CD-O 3.29Å; K205-T496 WeakPolarHBondContact CD-O 3.49Å; K205-T496 PolarHBondContact NZ-O 2.92Å; V206-T496 WeakPolarHBondContact O-CA 3.33Å; V206-T496 PolarHBondContact O-N 3.47Å; V488-T496 HydrophobicContact CB-CG2 3.87Å; V488-T496 HydrophobicContact CG2-CG2 4Å; F491-T496 HydrophobicContact CB-CG2 3.76Å; D492-T496 WeakPolarHBondContact O-CG2 3.36Å; D492-T496 PolarHBondContact O-N 3.34Å; D492-T496 VanDerWaalsContact O-N 3.08Å; D492-T496 PolarHBondContact O-OG1 3.04Å; Q493-T496 WeakPolarHBondContact CA-OG1 3.2Å
497	R	89.9	Confident	87.4	Confident	177 Å²	177	73.4 Å²	73.4	67%	0.668	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-17.1	170	-73.2	171.8	-174.1	-175.4	4.9	113.5	Q493 F495	Q493-R497 VanDerWaalsContact O-CB 3.3Å; Q493-R497 WeakPolarHBondContact O-CB 3.48Å; Q493-R497 VanDerWaalsContact O-CD 3.3Å; Q493-R497 WeakPolarHBondContact O-CD 3.49Å; Q493-R497 WeakPolarHBondContact O-CG 3.47Å; Q493-R497 PolarHBondContact O-N 2.86Å; Q493-R497 VanDerWaalsContact O-N 3.13Å; F495-R497 PolarHBondContact O-N 3.3Å; F495-R497 VanDerWaalsContact O-N 3.1Å
498	E	90.3	Very high	87.6	Confident	52 Å²	52	75.8 Å²	75.8	24%	0.243	40%	0.398	C	S	.	.	S	Bend	trans	-70	148.1	175.8	-66.6	-170	-154.1	0	0	112	V206 K209 K214 F495	V206-E498 HydrophobicContact CB-CB 4.17Å; V206-E498 HydrophobicContact CG2-CB 3.91Å; K209-E498 VanDerWaalsContact CE-CD 3.41Å; K209-E498 WeakPolarHBondContact CE-OE1 3.42Å; K209-E498 WeakPolarHBondContact CE-OE2 3.44Å; K209-E498 IonicContact NZ-OE1 2.8Å; K209-E498 PolarHBondContact NZ-OE1 3.42Å; K209-E498 IonicContact NZ-OE2 3.48Å; K209-E498 PolarHBondContact NZ-OE2 3.18Å; K214-E498 IonicContact NZ-OE2 3.7Å; K214-E498 PolarHBondContact NZ-OE2 3.34Å; K214-E498 VanDerWaalsContact NZ-OE2 3.09Å; F495-E498 WeakPolarHBondContact O-CB 3.26Å; F495-E498 PolarHBondContact O-N 3.48Å
499	E	90.6	Very high	87.6	Confident	142 Å²	142	76.9 Å²	76.9	66%	0.664	40%	0.403	S	S	*	.			trans	-68.3	133.5	171.5	-66.7	-169.4	163	0	0	110.4	V501	E499-V501 HydrophobicContact CB-CG1 4.28Å; E499-V501 HydrophobicContact CB-CG2 3.99Å; E499-V501 PolarHBondContact O-N 2.96Å
500	P	92	Very high	87.9	Confident	34 Å²	34	73.5 Å²	73.5	22%	0.221	38%	0.384	C	S	.	.			trans	-79.4	53.5	-179.2	37.6	-40.3	0	0	0	111.3	F203 V206 M216	F203-P500 HydrophobicContact CB-CB 4Å; V206-P500 HydrophobicContact CG2-CB 4.49Å; M216-P500 HydrophobicContact SD-CB 4.34Å
501	V	90.7	Very high	88.3	Confident	80 Å²	80	81.2 Å²	81.2	49%	0.485	42%	0.417	S	S	.	.			trans	-110.5	140.8	-177.4	-63.6	0	0	0	0	111.3	E499 T503	E499-V501 HydrophobicContact CB-CG1 4.28Å; E499-V501 HydrophobicContact CB-CG2 3.99Å; E499-V501 PolarHBondContact O-N 2.96Å; V501-T503 PolarHBondContact O-N 2.9Å
502	L	89.4	Confident	88.7	Confident	52 Å²	52	87.3 Å²	87.3	27%	0.272	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-73.2	125.9	171.5	-61.2	-176.5	0	0	0	109.1	L198 M216 V231 F276	L198-L502 HydrophobicContact CD1-CD1 4.16Å; L198-L502 HydrophobicContact CD2-CD1 3.98Å; M216-L502 HydrophobicContact CE-CD2 3.48Å; M216-L502 VanDerWaalsContact CE-CD2 3.48Å; M216-L502 HydrophobicContact CE-CG 4.48Å; V231-L502 HydrophobicContact CB-CD2 4.42Å; V231-L502 HydrophobicContact CG1-CD2 3.83Å; V231-L502 HydrophobicContact CG2-CD2 4.32Å; F276-L502 HydrophobicContact CE1-CD1 4.21Å; F276-L502 HydrophobicContact CZ-CD1 4.06Å
503	T	87	Confident	89.2	Confident	69 Å²	69	84 Å²	84	42%	0.423	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-61.5	130.7	171.9	-47.5	0	0	0	0	109.1	R274 V501	R274-T503 PolarHBondContact NH2-O 2.81Å; V501-T503 PolarHBondContact O-N 2.9Å
504	P	86.6	Confident	89.6	Confident	119 Å²	119	81.9 Å²	81.9	77%	0.773	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-57	147.5	173.8	-24.6	34.4	0	0	0	111.7
505	V	87.3	Confident	90	Very high	20 Å²	20	80 Å²	80	12%	0.121	41%	0.408	C	S	.	.			trans	-116.2	131.1	172.6	-176.2	0	0	0	0	107.3	D273 R274 D507 I509 I510	D273-V505 HydrophobicContact CB-CB 4.27Å; D273-V505 HydrophobicContact CB-CG1 4.5Å; D273-V505 HydrophobicContact CB-CG2 4.19Å; D273-V505 WeakPolarHBondContact OD2-CG2 3.45Å; R274-V505 VanDerWaalsContact NH2-CG2 3.29Å; V505-D507 PolarHBondContact O-N 3.09Å; V505-I509 HydrophobicContact CG1-CB 4.04Å; V505-I509 HydrophobicContact CG1-CD1 4.49Å; V505-I509 HydrophobicContact CG1-CG2 4.02Å; V505-I510 HydrophobicContact CB-CD1 4.36Å; V505-I510 HydrophobicContact CB-CG1 4.27Å; V505-I510 HydrophobicContact CG1-CG1 3.93Å
506	D	89.3	Confident	90.4	Very high	102 Å²	102	82.9 Å²	82.9	55%	0.545	43%	0.426	S	S	.	.			trans	-61.7	134.4	-179.2	-70.7	-38.6	0	0	0	110.8	S508 I509 I510	D506-S508 PolarHBondContact O-N 2.83Å; D506-I509 HydrophobicContact CB-CD1 4.16Å; D506-I509 HydrophobicContact CB-CG1 4.23Å; D506-I509 WeakPolarHBondContact O-CA 3.35Å; D506-I509 WeakPolarHBondContact O-CB 3.29Å; D506-I509 PolarHBondContact O-N 3.05Å; D506-I510 PolarHBondContact O-N 2.9Å; D506-I510 VanDerWaalsContact O-N 3.16Å
507	D	90.8	Very high	90.6	Very high	118 Å²	118	86.5 Å²	86.5	63%	0.631	44%	0.442	S	S	*	.	H	α-helix	trans	-55.9	-28.7	179.9	-78.6	-21.1	0	0	0	113.2	V505 I509 I510 K511	V505-D507 PolarHBondContact O-N 3.09Å; D507-I509 VanDerWaalsContact C-N 3.31Å; D507-I509 PolarHBondContact O-N 3.22Å; D507-I510 PolarHBondContact O-N 2.9Å; D507-K511 WeakPolarHBondContact O-CG 3.29Å; D507-K511 PolarHBondContact O-N 3.46Å
508	S	91.1	Very high	90.8	Very high	60 Å²	60	78.1 Å²	78.1	42%	0.42	41%	0.41	S	S	.	.	H	α-helix	trans	-63.6	-37.5	174.6	59.5	0	0	0	0	112.3	D506 Q512	D506-S508 PolarHBondContact O-N 2.83Å; S508-Q512 WeakPolarHBondContact O-CG 3.32Å
509	I	89.1	Confident	91	Very high	52 Å²	52	83.6 Å²	83.6	27%	0.267	43%	0.433	S	S	.	.	H	α-helix	trans	-70.9	-45.9	176.4	-61.2	173.6	0	0	0	108.7	D235 V505 D506 D507 K511 Q512 I513	D235-I509 HydrophobicContact CB-CG2 3.49Å; D235-I509 VanDerWaalsContact CB-CG2 3.49Å; V505-I509 HydrophobicContact CG1-CB 4.04Å; V505-I509 HydrophobicContact CG1-CD1 4.49Å; V505-I509 HydrophobicContact CG1-CG2 4.02Å; D506-I509 HydrophobicContact CB-CD1 4.16Å; D506-I509 HydrophobicContact CB-CG1 4.23Å; D506-I509 WeakPolarHBondContact O-CA 3.35Å; D506-I509 WeakPolarHBondContact O-CB 3.29Å; D506-I509 PolarHBondContact O-N 3.05Å; D507-I509 VanDerWaalsContact C-N 3.31Å; D507-I509 PolarHBondContact O-N 3.22Å; I509-K511 PolarHBondContact O-N 3.3Å; I509-Q512 WeakPolarHBondContact O-CA 3.28Å; I509-Q512 WeakPolarHBondContact O-CB 3.39Å; I509-Q512 PolarHBondContact O-N 3.16Å; I509-I513 WeakPolarHBondContact O-CG1 3.45Å; I509-I513 PolarHBondContact O-N 2.87Å
510	I	91.6	Very high	91.1	Very high	33 Å²	33	79.1 Å²	79.1	17%	0.169	43%	0.425	C	S	.	.	H	α-helix	trans	-56.1	-41	-179.6	-58.1	179.1	0	0	0	111.6	K272 D273 V505 D506 D507 Q512 I513	K272-I510 HydrophobicContact CB-CG2 3.73Å; D273-I510 HydrophobicContact CB-CD1 4.11Å; D273-I510 HydrophobicContact CB-CG1 4.03Å; V505-I510 HydrophobicContact CB-CD1 4.36Å; V505-I510 HydrophobicContact CB-CG1 4.27Å; V505-I510 HydrophobicContact CG1-CG1 3.93Å; D506-I510 PolarHBondContact O-N 2.9Å; D506-I510 VanDerWaalsContact O-N 3.16Å; D507-I510 PolarHBondContact O-N 2.9Å; I510-Q512 PolarHBondContact O-N 2.96Å; I510-I513 PolarHBondContact O-N 3.31Å
511	K	91.1	Very high	91.2	Very high	180 Å²	180	77.5 Å²	77.5	78%	0.783	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-22.3	177.1	-72.8	173.4	-176.5	177.6	0	114	D507 I509	D507-K511 WeakPolarHBondContact O-CG 3.29Å; D507-K511 PolarHBondContact O-N 3.46Å; I509-K511 PolarHBondContact O-N 3.3Å
512	Q	90.9	Very high	91.3	Very high	159 Å²	159	76.3 Å²	76.3	74%	0.743	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-13.7	179.5	-68.5	173.1	2.7	0	0	112.9	S508 I509 I510 N514	S508-Q512 WeakPolarHBondContact O-CG 3.32Å; I509-Q512 WeakPolarHBondContact O-CA 3.28Å; I509-Q512 WeakPolarHBondContact O-CB 3.39Å; I509-Q512 PolarHBondContact O-N 3.16Å; I510-Q512 PolarHBondContact O-N 2.96Å; Q512-N514 PolarHBondContact O-N 3.21Å
513	I	92.1	Very high	91.3	Very high	12 Å²	12	77.3 Å²	77.3	6%	0.062	41%	0.411	C	S	.	.	S	Bend	trans	-72.5	115.6	179.8	-63.8	168.4	0	0	0	109.2	K234 D235 L238 I509 I510 Q515 F518	K234-I513 HydrophobicContact CB-CD1 3.99Å; K234-I513 HydrophobicContact CB-CG2 3.86Å; K234-I513 HydrophobicContact CD-CG2 4Å; D235-I513 HydrophobicContact CB-CD1 4.27Å; D235-I513 HydrophobicContact CB-CG1 4.38Å; L238-I513 HydrophobicContact CD1-CB 4.29Å; L238-I513 HydrophobicContact CD1-CG1 4.45Å; L238-I513 HydrophobicContact CD1-CG2 3.8Å; I509-I513 WeakPolarHBondContact O-CG1 3.45Å; I509-I513 PolarHBondContact O-N 2.87Å; I510-I513 PolarHBondContact O-N 3.31Å; I513-Q515 PolarHBondContact O-N 3.33Å; I513-Q515 VanDerWaalsContact O-N 3.08Å; I513-Q515 PolarHBondContact O-NE2 2.88Å; I513-F518 HydrophobicContact CG2-CE2 4.2Å
514	N	91.8	Very high	91.1	Very high	72 Å²	72	76 Å²	76	39%	0.385	40%	0.399	S	S	.	.			trans	-66.2	105.7	168.6	-175.3	9.2	0	0	0	109.5	Q512 D516 E517	Q512-N514 PolarHBondContact O-N 3.21Å; N514-D516 VanDerWaalsContact C-N 3.27Å; N514-D516 PolarHBondContact O-N 3.13Å; N514-D516 PolarHBondContact OD1-N 2.9Å; N514-E517 HydrophobicContact CB-CG 3.92Å; N514-E517 PolarHBondContact ND2-OE1 3.48Å
515	Q	94.3	Very high	90.2	Very high	69 Å²	69	71.2 Å²	71.2	32%	0.322	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-72.1	-22.8	-175.7	-61	-62.2	-44.3	0	0	112.8	K272 I513 E517 F518	K272-Q515 PolarHBondContact O-NE2 2.9Å; K272-Q515 PolarHBondContact O-OE1 3.32Å; I513-Q515 PolarHBondContact O-N 3.33Å; I513-Q515 VanDerWaalsContact O-N 3.08Å; I513-Q515 PolarHBondContact O-NE2 2.88Å; Q515-E517 VanDerWaalsContact C-N 3.27Å; Q515-E517 PolarHBondContact O-N 2.98Å; Q515-F518 PolarHBondContact O-N 3.13Å
516	D	94	Very high	88.4	Confident	123 Å²	123	80.2 Å²	80.2	66%	0.658	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-69.2	-26.3	-176.8	-71.2	-34.8	0	0	0	112.6	N514 F518 K519	N514-D516 VanDerWaalsContact C-N 3.27Å; N514-D516 PolarHBondContact O-N 3.13Å; N514-D516 PolarHBondContact OD1-N 2.9Å; D516-F518 PolarHBondContact O-N 2.98Å; D516-F518 VanDerWaalsContact O-N 3.17Å; D516-K519 VanDerWaalsContact O-CB 3.24Å; D516-K519 WeakPolarHBondContact O-CB 3.39Å; D516-K519 PolarHBondContact O-N 3.17Å; D516-K519 VanDerWaalsContact O-N 3.12Å
517	E	92.9	Very high	88.3	Confident	92 Å²	92	79.1 Å²	79.1	43%	0.43	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-57.6	-28.3	173.6	-60.4	-63.5	161.2	0	0	112.2	L238 V243 N514 Q515	L238-E517 HydrophobicContact CD2-CB 4.16Å; L238-E517 HydrophobicContact CD2-CG 3.88Å; V243-E517 HydrophobicContact CG1-CB 4.15Å; V243-E517 WeakPolarHBondContact CG1-O 3.33Å; V243-E517 HydrophobicContact CG2-CB 4.35Å; N514-E517 HydrophobicContact CB-CG 3.92Å; N514-E517 PolarHBondContact ND2-OE1 3.48Å; Q515-E517 VanDerWaalsContact C-N 3.27Å; Q515-E517 PolarHBondContact O-N 2.98Å
518	F	95.4	Very high	88.2	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-104.3	15.6	-177.1	-56.4	-72.8	0	0	0	113.2	K234 I237 L238 V243 Q270 L275 I513 Q515 D516 G520 F521	K234-F518 HydrophobicContact CB-CD2 4.43Å; K234-F518 HydrophobicContact CB-CE2 3.72Å; K234-F518 HydrophobicContact CB-CZ 3.92Å; K234-F518 HydrophobicContact CD-CD2 3.69Å; K234-F518 HydrophobicContact CD-CE2 3.84Å; K234-F518 HydrophobicContact CD-CG 4.28Å; K234-F518 HydrophobicContact CG-CD2 3.89Å; K234-F518 HydrophobicContact CG-CE1 4.34Å; K234-F518 HydrophobicContact CG-CE2 3.63Å; K234-F518 HydrophobicContact CG-CG 4.34Å; K234-F518 HydrophobicContact CG-CZ 3.86Å; I237-F518 HydrophobicContact CB-CE1 4.37Å; I237-F518 HydrophobicContact CB-CZ 4.26Å; I237-F518 HydrophobicContact CD1-CE1 4.26Å; I237-F518 HydrophobicContact CG2-CE1 3.95Å; I237-F518 HydrophobicContact CG2-CZ 4.15Å; L238-F518 HydrophobicContact CD1-CE2 4.11Å; L238-F518 HydrophobicContact CD2-CE2 4.13Å; L238-F518 HydrophobicContact CD2-CZ 4.11Å; L238-F518 HydrophobicContact CG-CE2 3.98Å; L238-F518 HydrophobicContact CG-CZ 3.94Å; V243-F518 HydrophobicContact CG1-CE1 4.38Å; V243-F518 HydrophobicContact CG2-CE1 4.15Å; V243-F518 HydrophobicContact CG2-CZ 4.16Å; Q270-F518 PolarHBondContact NE2-O 3.32Å; L275-F518 HydrophobicContact CD1-CD1 3.63Å; L275-F518 HydrophobicContact CD1-CE1 3.79Å; L275-F518 HydrophobicContact CD2-CB 4.19Å; L275-F518 HydrophobicContact CD2-CD1 4.03Å; L275-F518 HydrophobicContact CD2-CG 4.18Å; L275-F518 HydrophobicContact CG-CD1 4.26Å; I513-F518 HydrophobicContact CG2-CE2 4.2Å; Q515-F518 PolarHBondContact O-N 3.13Å; D516-F518 PolarHBondContact O-N 2.98Å; D516-F518 VanDerWaalsContact O-N 3.17Å; F518-G520 PolarHBondContact O-N 2.98Å; F518-F521 VanDerWaalsContact O-CB 3.3Å; F518-F521 WeakPolarHBondContact O-CB 3.38Å; F518-F521 PolarHBondContact O-N 3.41Å
519	K	93.5	Very high	88	Confident	167 Å²	167	78 Å²	78	73%	0.726	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	136.1	176.9	-172.2	175.9	179.9	178.6	0	110.4	M247 D516 F521	M247-K519 WeakPolarHBondContact CE-O 3.32Å; D516-K519 VanDerWaalsContact O-CB 3.24Å; D516-K519 WeakPolarHBondContact O-CB 3.39Å; D516-K519 PolarHBondContact O-N 3.17Å; D516-K519 VanDerWaalsContact O-N 3.12Å; K519-F521 VanDerWaalsContact C-N 3.3Å; K519-F521 PolarHBondContact O-N 3.49Å
520	G	91.8	Very high	88	Confident	48 Å²	48	79.5 Å²	79.5	50%	0.495	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	9.9	-177.9	0	0	0	0	0	114.8	K250 F518	K250-G520 PolarHBondContact NZ-O 3.46Å; F518-G520 PolarHBondContact O-N 2.98Å
521	F	94.5	Very high	87.7	Confident	0 Å²	0	82.4 Å²	82.4	0%	0	42%	0.423	C	S	.	.			trans	-66.9	-41.8	173.3	-176.8	-93.5	0	0	0	112.7	T246 M247 K250 C268 F269 Q270 L275 F277 F518 K519 Y523	T246-F521 HydrophobicContact CG2-CE2 4.27Å; M247-F521 HydrophobicContact SD-CB 4.2Å; M247-F521 HydrophobicContact SD-CD2 3.91Å; K250-F521 HydrophobicContact CD-CD2 4.33Å; K250-F521 WeakPolarHBondContact CD-O 3.23Å; C268-F521 HydrophobicContact CB-CD1 4.12Å; C268-F521 HydrophobicContact CB-CE1 3.62Å; C268-F521 HydrophobicContact CB-CZ 4.01Å; F269-F521 VanDerWaalsContact O-CE1 3.26Å; F269-F521 WeakPolarHBondContact O-CE1 3.3Å; Q270-F521 HydrophobicContact CB-CD1 4.11Å; L275-F521 HydrophobicContact CB-CD1 4.42Å; L275-F521 HydrophobicContact CB-CE1 3.84Å; L275-F521 HydrophobicContact CB-CE2 4.03Å; L275-F521 HydrophobicContact CB-CZ 3.65Å; L275-F521 HydrophobicContact CD1-CD2 3.93Å; L275-F521 HydrophobicContact CD1-CE2 3.81Å; L275-F521 HydrophobicContact CD1-CZ 4.3Å; L275-F521 HydrophobicContact CD2-CB 4.39Å; L275-F521 HydrophobicContact CD2-CD1 3.83Å; L275-F521 HydrophobicContact CD2-CD2 4.08Å; L275-F521 HydrophobicContact CD2-CE1 4.13Å; L275-F521 HydrophobicContact CD2-CE2 4.37Å; L275-F521 HydrophobicContact CD2-CG 3.82Å; L275-F521 HydrophobicContact CD2-CZ 4.41Å; L275-F521 HydrophobicContact CG-CD2 4.43Å; L275-F521 HydrophobicContact CG-CE1 4.47Å; L275-F521 HydrophobicContact CG-CE2 4.3Å; L275-F521 HydrophobicContact CG-CZ 4.34Å; F277-F521 HydrophobicContact CD1-CZ 4.3Å; F277-F521 HydrophobicContact CD2-CE2 4.49Å; F277-F521 AromaticContact CD2-CZ 3.9Å; F277-F521 HydrophobicContact CD2-CZ 3.9Å; F277-F521 AromaticContact CE1-CE2 3.95Å; F277-F521 HydrophobicContact CE1-CE2 3.95Å; F277-F521 AromaticContact CE1-CZ 3.99Å; F277-F521 HydrophobicContact CE1-CZ 3.99Å; F277-F521 AromaticContact CE2-CE2 3.7Å; F277-F521 HydrophobicContact CE2-CE2 3.7Å; F277-F521 AromaticContact CE2-CZ 3.54Å; F277-F521 HydrophobicContact CE2-CZ 3.54Å; F277-F521 HydrophobicContact CG-CZ 4.27Å; F277-F521 AromaticContact CZ-CE2 3.41Å; F277-F521 HydrophobicContact CZ-CE2 3.41Å; F277-F521 VanDerWaalsContact CZ-CE2 3.41Å; F277-F521 AromaticContact CZ-CZ 3.62Å; F277-F521 HydrophobicContact CZ-CZ 3.62Å; F518-F521 VanDerWaalsContact O-CB 3.3Å; F518-F521 WeakPolarHBondContact O-CB 3.38Å; F518-F521 PolarHBondContact O-N 3.41Å; K519-F521 VanDerWaalsContact C-N 3.3Å; K519-F521 PolarHBondContact O-N 3.49Å; F521-Y523 PolarHBondContact O-N 3.36Å
522	S	92.6	Very high	87.5	Confident	55 Å²	55	75.9 Å²	75.9	39%	0.385	40%	0.399	S	S	.	.			trans	-63.6	131.4	-176.7	-53.9	0	0	0	0	111.4	C268	C268-S522 CarbonylContact O-C 3.59Å; C268-S522 VanDerWaalsContact O-CA 3.29Å; C268-S522 WeakPolarHBondContact O-CA 3.34Å
523	Y	89.1	Confident	87.3	Confident	73 Å²	73	70 Å²	70	29%	0.286	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	126	179.9	167.6	-103	0	0	0	107.9	L265 C267 C268 F521 G525	L265-Y523 HydrophobicContact CD2-CD1 3.83Å; L265-Y523 HydrophobicContact CD2-CE1 4.13Å; C267-Y523 CarbonylContact C-O 3.35Å; C267-Y523 VanDerWaalsContact CA-O 3.25Å; C267-Y523 WeakPolarHBondContact CA-O 3.5Å; C267-Y523 VanDerWaalsContact CB-O 3.27Å; C267-Y523 WeakPolarHBondContact CB-O 3.38Å; C268-Y523 PolarHBondContact N-O 2.83Å; C268-Y523 PolarHBondContact O-N 2.9Å; F521-Y523 PolarHBondContact O-N 3.36Å; Y523-G525 WeakPolarHBondContact OH-CA 3.25Å
524	F	83.5	Confident	86.9	Confident	41 Å²	41	74.5 Å²	74.5	18%	0.18	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	105.9	174	-54.3	-77.5	0	0	0	103.8	I193 R195 M196 C267 F269	I193-F524 HydrophobicContact CG2-CB 3.54Å; I193-F524 HydrophobicContact CG2-CD2 4.47Å; I193-F524 HydrophobicContact CG2-CG 4.31Å; R195-F524 HydrophobicContact CB-CE2 4.17Å; R195-F524 HydrophobicContact CB-CZ 4.12Å; R195-F524 HydrophobicContact CG-CD2 4.33Å; R195-F524 HydrophobicContact CG-CE2 3.94Å; R195-F524 HydrophobicContact CG-CZ 4.39Å; M196-F524 HydrophobicContact CB-CD1 4.19Å; M196-F524 HydrophobicContact CB-CE1 3.9Å; M196-F524 HydrophobicContact CG-CD1 4.48Å; M196-F524 VanDerWaalsContact O-CE1 3.32Å; M196-F524 WeakPolarHBondContact O-CE1 3.42Å; C267-F524 HydrophobicContact CB-CD1 3.99Å; F269-F524 HydrophobicContact CB-CE1 4.29Å; F269-F524 HydrophobicContact CB-CZ 4.27Å
525	G	67.1	Low	86.5	Confident	20 Å²	20	74.7 Å²	74.7	21%	0.206	40%	0.4	C	S	.	.			trans	-59	153.1	179	0	0	0	0	0	110.5	Y523	Y523-G525 WeakPolarHBondContact OH-CA 3.25Å
526	D	49.2	Very low	85.8	Confident	208 Å²	208	75.2 Å²	75.2	100%	1.112	41%	0.407	S	S	*	.			trans	-64.2	0	173	-65.4	-38.3	0	0	0	112

Retrieved 526 of 526 residues in 1129 ms (Link to these results)

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