A0A096LUY3_POEFO Loading...

Torsin-1A-interacting protein 1/2 AAA+ activator domain-containing protein

AlphaFold DB , UniProt , Accession A0A096LUY3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 462 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.6	Very low	30.8	Very low	257 Å²	257	151.2 Å²	151.2	100%	1.266	83%	0.83	S	S	*	*				0	126.3	0	-96.5	172.1	164.9	0	0	108.7
2	G	28.3	Very low	31.6	Very low	76 Å²	76	145.2 Å²	145.2	78%	0.784	79%	0.793	S	S	*	*			trans	129	50	171.5	0	0	0	0	0	116.4	R4	G2-R4 PolarHBondContact O-N 3.4Å
3	T	23.1	Very low	32.4	Very low	140 Å²	140	141 Å²	141	86%	0.859	77%	0.765	S	S	*	*			trans	-69.5	108.2	166	41.4	0	0	0	0	109.9
4	R	25.7	Very low	33.3	Very low	243 Å²	243	135.9 Å²	135.9	92%	0.917	74%	0.74	S	S	*	*			trans	-84.2	106.8	164.3	-88.5	-176.7	175.5	171.1	-0.2	109.1	G2 L6	G2-R4 PolarHBondContact O-N 3.4Å; R4-L6 PolarHBondContact O-N 2.81Å
5	T	25.1	Very low	34	Very low	139 Å²	139	134.4 Å²	134.4	85%	0.853	72%	0.724	S	S	*	*			trans	-64	109.9	167.3	19.1	0	0	0	0	109.9	A7	T5-A7 PolarHBondContact O-N 3.03Å
6	L	28.5	Very low	34.6	Very low	166 Å²	166	130.1 Å²	130.1	87%	0.869	70%	0.7	S	S	*	*			trans	-72.1	101	165.9	-96.6	149.2	0	0	0	108.1	R4 N8	R4-L6 PolarHBondContact O-N 2.81Å; L6-N8 PolarHBondContact O-N 3.44Å
7	A	29.6	Very low	35.2	Very low	87 Å²	87	127 Å²	127	72%	0.719	69%	0.687	S	S	*	*			trans	-62.1	122.9	173.6	0	0	0	0	0	110.4	T5 K9	T5-A7 PolarHBondContact O-N 3.03Å; A7-K9 PolarHBondContact O-N 3.08Å; A7-K9 VanDerWaalsContact O-N 3.1Å
8	N	33.9	Very low	35.8	Very low	170 Å²	170	125.6 Å²	125.6	91%	0.909	67%	0.674	S	S	*	*			trans	-55.2	110.7	170.9	-95.6	-14	0	0	0	110.3	L6	L6-N8 PolarHBondContact O-N 3.44Å
9	K	36.4	Very low	36.1	Very low	169 Å²	169	124.9 Å²	124.9	74%	0.735	67%	0.667	S	S	*	*			trans	-94.1	140.6	168.8	-95.3	-175.5	175	-177.8	0	110.3	A7	A7-K9 PolarHBondContact O-N 3.08Å; A7-K9 VanDerWaalsContact O-N 3.1Å
10	P	35	Very low	36.3	Very low	84 Å²	84	123.8 Å²	123.8	55%	0.545	66%	0.66	S	S	.	*			trans	-67.2	142.3	-178.3	27.3	-33.3	0	0	0	111.9	M12	P10-M12 PolarHBondContact O-N 3.33Å
11	I	40	Very low	36.4	Very low	132 Å²	132	121.3 Å²	121.3	68%	0.677	65%	0.649	S	S	*	*	S	Bend	trans	-68.5	-22.6	-177.3	-63.9	169.4	0	0	0	111.9	Q35	I11-Q35 PolarHBondContact O-N 3.4Å
12	M	40.4	Very low	36.3	Very low	79 Å²	79	120.1 Å²	120.1	39%	0.389	63%	0.63	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-138.9	133.4	175.9	-170.9	-170	-69.7	0	0	109.4	P10 V14 V32 V33 L34 L105	P10-M12 PolarHBondContact O-N 3.33Å; M12-V14 HydrophobicContact SD-CG2 4.5Å; M12-V32 HydrophobicContact CG-CG1 4.19Å; M12-V32 HydrophobicContact SD-CG1 4.35Å; M12-V33 WeakPolarHBondContact CA-O 3.42Å; M12-L34 HydrophobicContact CB-CD1 3.88Å; M12-L34 HydrophobicContact CE-CD1 3.63Å; M12-L34 HydrophobicContact CG-CD1 3.93Å; M12-L105 HydrophobicContact CE-CD2 4.46Å
13	E	42.3	Very low	36.7	Very low	91 Å²	91	123.8 Å²	123.8	43%	0.425	63%	0.632	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.1	122.8	177.1	-167.8	-178.1	170.3	0	0	109.1	K15 V33	E13-K15 WeakPolarHBondContact OE1-CE 3.41Å; E13-K15 IonicContact OE1-NZ 3.5Å; E13-K15 PolarHBondContact OE1-NZ 3.12Å; E13-V33 HydrophobicContact CB-CB 4.46Å; E13-V33 PolarHBondContact N-O 3.06Å; E13-V33 PolarHBondContact O-N 3.29Å
14	V	43.8	Very low	37.4	Very low	69 Å²	69	123.3 Å²	123.3	42%	0.418	62%	0.62	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.6	122.4	177.1	-177	0	0	0	0	108.7	M12 I16 V30 Q31 V32	M12-V14 HydrophobicContact SD-CG2 4.5Å; V14-I16 HydrophobicContact CG1-CG1 4.19Å; V14-V30 HydrophobicContact CG1-CG1 4.21Å; V14-Q31 WeakPolarHBondContact CA-O 3.5Å; V14-V32 HydrophobicContact CG1-CG2 4.24Å; V14-V32 HydrophobicContact CG2-CG1 4.25Å; V14-V32 HydrophobicContact CG2-CG2 4.21Å
15	K	44	Very low	38	Very low	114 Å²	114	116.2 Å²	116.2	50%	0.496	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.6	126.5	174.8	-72.1	-173.7	-178.3	178.1	0	110	E13 Q31	E13-K15 WeakPolarHBondContact OE1-CE 3.41Å; E13-K15 IonicContact OE1-NZ 3.5Å; E13-K15 PolarHBondContact OE1-NZ 3.12Å; K15-Q31 HydrophobicContact CB-CB 4.44Å; K15-Q31 PolarHBondContact N-O 3.2Å; K15-Q31 PolarHBondContact O-N 3.33Å
16	I	44.1	Very low	38.8	Very low	65 Å²	65	113 Å²	113	33%	0.333	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.1	115.7	178.4	-57	176.7	0	0	0	108	V14 I27 R29 V30 M129	V14-I16 HydrophobicContact CG1-CG1 4.19Å; I16-I27 HydrophobicContact CG2-CD1 4.37Å; I16-I27 HydrophobicContact CG2-CG1 4.28Å; I16-I27 HydrophobicContact CG2-CG2 3.73Å; I16-R29 CarbonylContact C-O 3.51Å; I16-V30 HydrophobicContact CG1-CG1 4.23Å; I16-V30 HydrophobicContact CG1-CG2 4.3Å; I16-V30 HydrophobicContact CG2-CG2 4.27Å; I16-M129 HydrophobicContact CD1-SD 4.14Å
17	T	44.8	Very low	39.4	Very low	78 Å²	78	108.4 Å²	108.4	48%	0.479	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.1	124.7	170.8	-48.3	0	0	0	0	108.6	I28 R29	T17-I28 PolarHBondContact O-N 3.36Å; T17-R29 PolarHBondContact N-O 3.2Å; T17-R29 PolarHBondContact O-N 2.8Å
18	H	45.7	Very low	39.8	Very low	101 Å²	101	108.2 Å²	108.2	47%	0.468	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	161.8	179	63.9	-92.3	0	0	0	110.3	L25 V26 I27	H18-L25 HydrophobicContact CB-CD1 3.83Å; H18-L25 HydrophobicContact CB-CG 4.46Å; H18-L25 WeakPolarHBondContact CD2-CD1 3.08Å; H18-V26 CarbonylContact C-O 3.56Å; H18-V26 WeakPolarHBondContact CA-O 3.3Å; H18-V26 WeakPolarHBondContact CB-O 3Å; H18-I27 HydrophobicContact CB-CG1 4.48Å
19	Q	41.1	Very low	40.1	Very low	113 Å²	113	104.9 Å²	104.9	53%	0.528	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	144	171.1	-172.6	175.8	6.9	0	0	108.5	V21 V26 I28	Q19-V21 HydrophobicContact CG-CG2 4.24Å; Q19-V26 PolarHBondContact N-O 2.99Å; Q19-V26 WeakPolarHBondContact O-CA 3.3Å; Q19-V26 WeakPolarHBondContact O-CB 3.32Å; Q19-V26 PolarHBondContact O-N 2.91Å; Q19-I28 HydrophobicContact CB-CD1 3.36Å; Q19-I28 HydrophobicContact CB-CG1 4.19Å; Q19-I28 HydrophobicContact CG-CD1 4.38Å
20	I	40.4	Very low	40.3	Very low	102 Å²	102	99.3 Å²	99.3	52%	0.523	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	118.2	175.4	-60.4	175.3	0	0	0	107.4	H24 L25	I20-H24 VanDerWaalsContact CA-O 3.31Å; I20-H24 WeakPolarHBondContact CA-O 3.33Å; I20-L25 HydrophobicContact CG1-CD1 4.04Å
21	V	38.3	Very low	40.6	Very low	73 Å²	73	97.5 Å²	97.5	44%	0.442	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	119.5	176.3	-176.6	0	0	0	0	107.6	Q19 N23 H24	Q19-V21 HydrophobicContact CG-CG2 4.24Å; V21-N23 PolarHBondContact O-N 2.67Å; V21-H24 PolarHBondContact N-O 3.23Å; V21-H24 PolarHBondContact O-N 2.94Å
22	R	32	Very low	40.7	Very low	231 Å²	231	93.6 Å²	93.6	87%	0.872	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	55.2	-179.3	-64.2	-177.6	177.4	170.6	-1.2	113	H24	R22-H24 PolarHBondContact O-CD2 2.84Å; R22-H24 VanDerWaalsContact O-CD2 3.23Å; R22-H24 PolarHBondContact O-N 2.85Å
23	N	36.3	Very low	40.8	Very low	154 Å²	154	91 Å²	91	82%	0.824	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	10.7	-179.5	-68.9	-5.6	0	0	0	116.9	V21	V21-N23 PolarHBondContact O-N 2.67Å
24	H	38.1	Very low	40.7	Very low	129 Å²	129	89.1 Å²	89.1	60%	0.597	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.9	173.7	-63.6	-69.2	0	0	0	111.9	I20 V21 R22 V26	I20-H24 VanDerWaalsContact CA-O 3.31Å; I20-H24 WeakPolarHBondContact CA-O 3.33Å; V21-H24 PolarHBondContact N-O 3.23Å; V21-H24 PolarHBondContact O-N 2.94Å; R22-H24 PolarHBondContact O-CD2 2.84Å; R22-H24 VanDerWaalsContact O-CD2 3.23Å; R22-H24 PolarHBondContact O-N 2.85Å; H24-V26 PolarHBondContact O-N 3.31Å
25	L	39.2	Very low	40.5	Very low	95 Å²	95	89 Å²	89	50%	0.497	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	113.1	176.3	-176.2	72.3	0	0	0	109.9	H18 I20	H18-L25 HydrophobicContact CB-CD1 3.83Å; H18-L25 HydrophobicContact CB-CG 4.46Å; H18-L25 WeakPolarHBondContact CD2-CD1 3.08Å; I20-L25 HydrophobicContact CG1-CD1 4.04Å
26	V	40.3	Very low	40.2	Very low	71 Å²	71	88.8 Å²	88.8	43%	0.43	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	117.6	177.7	-175.7	0	0	0	0	108.9	H18 Q19 H24 I28	H18-V26 CarbonylContact C-O 3.56Å; H18-V26 WeakPolarHBondContact CA-O 3.3Å; H18-V26 WeakPolarHBondContact CB-O 3Å; Q19-V26 PolarHBondContact N-O 2.99Å; Q19-V26 WeakPolarHBondContact O-CA 3.3Å; Q19-V26 WeakPolarHBondContact O-CB 3.32Å; Q19-V26 PolarHBondContact O-N 2.91Å; H24-V26 PolarHBondContact O-N 3.31Å; V26-I28 PolarHBondContact O-N 2.56Å
27	I	42.2	Very low	39.7	Very low	70 Å²	70	93.8 Å²	93.8	36%	0.359	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	118.3	176.7	-60.9	173.7	0	0	0	108.5	I16 H18 V30 L122	I16-I27 HydrophobicContact CG2-CD1 4.37Å; I16-I27 HydrophobicContact CG2-CG1 4.28Å; I16-I27 HydrophobicContact CG2-CG2 3.73Å; H18-I27 HydrophobicContact CB-CG1 4.48Å; I27-V30 HydrophobicContact CG2-CG2 3.7Å; I27-L122 HydrophobicContact CD1-CD1 4.14Å
28	I	38.1	Very low	39.2	Very low	82 Å²	82	96.1 Å²	96.1	42%	0.421	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-38.8	-176.3	-61.3	178.7	0	0	0	110.6	T17 Q19 V26	T17-I28 PolarHBondContact O-N 3.36Å; Q19-I28 HydrophobicContact CB-CD1 3.36Å; Q19-I28 HydrophobicContact CB-CG1 4.19Å; Q19-I28 HydrophobicContact CG-CD1 4.38Å; V26-I28 PolarHBondContact O-N 2.56Å
29	R	39.8	Very low	38.4	Very low	100 Å²	100	100.1 Å²	100.1	38%	0.377	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	136.1	-174.5	-164.8	174.6	178.3	170.7	-0.5	111.1	I16 T17	I16-R29 CarbonylContact C-O 3.51Å; T17-R29 PolarHBondContact N-O 3.2Å; T17-R29 PolarHBondContact O-N 2.8Å
30	V	41.4	Very low	38.1	Very low	52 Å²	52	102.8 Å²	102.8	32%	0.315	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.3	169.3	-178.2	0	0	0	0	107.7	V14 I16 I27 V32	V14-V30 HydrophobicContact CG1-CG1 4.21Å; I16-V30 HydrophobicContact CG1-CG1 4.23Å; I16-V30 HydrophobicContact CG1-CG2 4.3Å; I16-V30 HydrophobicContact CG2-CG2 4.27Å; I27-V30 HydrophobicContact CG2-CG2 3.7Å; V30-V32 HydrophobicContact CG1-CG2 4.47Å
31	Q	40.4	Very low	37.5	Very low	47 Å²	47	106.7 Å²	106.7	22%	0.22	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.4	-178.9	-170.2	172.7	-11	0	0	109.2	V14 K15	V14-Q31 WeakPolarHBondContact CA-O 3.5Å; K15-Q31 HydrophobicContact CB-CB 4.44Å; K15-Q31 PolarHBondContact N-O 3.2Å; K15-Q31 PolarHBondContact O-N 3.33Å
32	V	42.9	Very low	37.2	Very low	49 Å²	49	111.5 Å²	111.5	30%	0.297	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	125.1	177.9	-176.9	0	0	0	0	108.3	M12 V14 V30	M12-V32 HydrophobicContact CG-CG1 4.19Å; M12-V32 HydrophobicContact SD-CG1 4.35Å; V14-V32 HydrophobicContact CG1-CG2 4.24Å; V14-V32 HydrophobicContact CG2-CG1 4.25Å; V14-V32 HydrophobicContact CG2-CG2 4.21Å; V30-V32 HydrophobicContact CG1-CG2 4.47Å
33	V	41.1	Very low	37	Very low	25 Å²	25	107.9 Å²	107.9	15%	0.152	54%	0.538	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	113.4	176.6	-177	0	0	0	0	107.8	M12 E13	M12-V33 WeakPolarHBondContact CA-O 3.42Å; E13-V33 HydrophobicContact CB-CB 4.46Å; E13-V33 PolarHBondContact N-O 3.06Å; E13-V33 PolarHBondContact O-N 3.29Å
34	L	41.2	Very low	36.7	Very low	51 Å²	51	110.8 Å²	110.8	27%	0.267	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	127.4	176.7	-170.5	65.4	0	0	0	109.3	M12 M36	M12-L34 HydrophobicContact CB-CD1 3.88Å; M12-L34 HydrophobicContact CE-CD1 3.63Å; M12-L34 HydrophobicContact CG-CD1 3.93Å; L34-M36 HydrophobicContact CD2-CG 4.14Å; L34-M36 HydrophobicContact CD2-SD 4.41Å; L34-M36 HydrophobicContact CG-CG 4.21Å
35	Q	39	Very low	36.4	Very low	67 Å²	67	113.9 Å²	113.9	31%	0.313	54%	0.544	S	S	.	.			trans	-108.3	98.4	179.1	-146	177.2	-26.9	0	0	108.8	I11	I11-Q35 PolarHBondContact O-N 3.4Å
36	M	37	Very low	36	Very low	110 Å²	110	118.3 Å²	118.3	54%	0.542	55%	0.554	S	S	.	*			trans	-87.2	129.3	177	-59.9	-148.2	-47.8	0	0	110.8	L34	L34-M36 HydrophobicContact CD2-CG 4.14Å; L34-M36 HydrophobicContact CD2-SD 4.41Å; L34-M36 HydrophobicContact CG-CG 4.21Å
37	L	34	Very low	35.6	Very low	169 Å²	169	119.8 Å²	119.8	89%	0.885	56%	0.559	S	S	*	*			trans	-94.3	104	170.4	-107.6	141	0	0	0	107.7
38	I	33.9	Very low	35.1	Very low	128 Å²	128	122 Å²	122	66%	0.656	57%	0.567	S	S	*	*			trans	-94.2	116.6	170.4	-60.1	174.5	0	0	0	106.3	E40	I38-E40 VanDerWaalsContact C-N 3.29Å; I38-E40 PolarHBondContact O-N 2.78Å
39	Q	30.8	Very low	34.9	Very low	185 Å²	185	124.9 Å²	124.9	86%	0.864	58%	0.577	S	S	*	*	S	Bend	trans	-86.7	71.8	177.4	-108.5	-86.6	-66.9	0	0	109.3
40	E	33.4	Very low	34.4	Very low	168 Å²	168	124.5 Å²	124.5	79%	0.785	59%	0.588	S	S	*	*	S	Bend	trans	-162.5	110.3	153.1	-117.9	176.9	-179.5	0	0	107.4	I38	I38-E40 VanDerWaalsContact C-N 3.29Å; I38-E40 PolarHBondContact O-N 2.78Å
41	H	29	Very low	34	Very low	185 Å²	185	126.3 Å²	126.3	86%	0.856	60%	0.595	S	S	*	*	S	Bend	trans	61.3	127.5	-172.9	-76.7	-80.4	0	0	0	118.2	Q43	H41-Q43 PolarHBondContact O-N 2.91Å
42	L	31.6	Very low	33.4	Very low	173 Å²	173	130.3 Å²	130.3	91%	0.906	62%	0.617	S	S	*	*	S	Bend	trans	-51.5	90.1	177.4	-101.4	140.1	0	0	0	113.6
43	Q	28	Very low	32.9	Very low	156 Å²	156	134 Å²	134	73%	0.729	64%	0.635	S	S	*	*			trans	-144.4	109.3	157.7	-79.1	-60.5	-57.3	0	0	111.1	H41 R45	H41-Q43 PolarHBondContact O-N 2.91Å; Q43-R45 PolarHBondContact O-N 3.43Å
44	R	28.9	Very low	32.1	Very low	214 Å²	214	138.2 Å²	138.2	81%	0.808	66%	0.661	S	S	*	*			trans	-72.8	113.1	166.7	-77.3	-176.5	-171.6	-174.3	3.7	108.7
45	R	31.5	Very low	31.5	Very low	195 Å²	195	146.6 Å²	146.6	74%	0.736	69%	0.69	S	S	*	*			trans	-105.2	130.1	167	-68.5	-168.7	-176.6	-162.7	3.4	110.8	Q43	Q43-R45 PolarHBondContact O-N 3.43Å
46	R	30.6	Very low	31	Very low	188 Å²	188	150.8 Å²	150.8	71%	0.709	71%	0.709	S	S	*	*			trans	-94.3	120.5	171.2	-84.4	-178.6	177.4	173	-0.3	108.3
47	L	32.9	Very low	30.7	Very low	102 Å²	102	152.9 Å²	152.9	53%	0.534	72%	0.718	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.2	131.5	162.7	-92.2	82.1	0	0	0	109.1	F49	L47-F49 HydrophobicContact CB-CE2 4.16Å; L47-F49 HydrophobicContact CD2-CE2 3.93Å; L47-F49 HydrophobicContact CD2-CZ 3.75Å
48	Q	32.1	Very low	30.6	Very low	115 Å²	115	150.3 Å²	150.3	54%	0.537	70%	0.704	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.5	127.7	173.3	-68.2	-170.7	-2.9	0	0	109.2
49	F	34.3	Very low	30.2	Very low	143 Å²	143	153.8 Å²	153.8	63%	0.627	72%	0.715	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-113.8	110.6	172.1	-64.1	-82.5	0	0	0	109.1	L47	L47-F49 HydrophobicContact CB-CE2 4.16Å; L47-F49 HydrophobicContact CD2-CE2 3.93Å; L47-F49 HydrophobicContact CD2-CZ 3.75Å
50	P	28.7	Very low	30.4	Very low	93 Å²	93	149 Å²	149	60%	0.604	72%	0.715	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84	118.4	170.8	29.8	-28.1	0	0	0	110
51	L	33.9	Very low	30	Very low	89 Å²	89	145.8 Å²	145.8	47%	0.466	71%	0.706	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96	115.6	166.4	-157.2	80.1	0	0	0	108.3	L53	L51-L53 HydrophobicContact CD2-CD1 3.85Å; L51-L53 HydrophobicContact CG-CD1 4.36Å
52	L	27.7	Very low	29.8	Very low	131 Å²	131	147.9 Å²	147.9	69%	0.686	71%	0.707	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.6	112.9	175.4	-140.5	90.1	0	0	0	108.1	T54	L52-T54 HydrophobicContact CD2-CG2 4.1Å
53	L	32.4	Very low	29.5	Very low	127 Å²	127	143.8 Å²	143.8	67%	0.665	69%	0.689	S	S	*	*			trans	-100.8	107.8	168.5	-92	116	0	0	0	108.5	L51	L51-L53 HydrophobicContact CD2-CD1 3.85Å; L51-L53 HydrophobicContact CG-CD1 4.36Å
54	T	24	Very low	29.5	Very low	114 Å²	114	143.8 Å²	143.8	70%	0.699	69%	0.689	S	S	*	*			trans	-90.6	128.3	172.7	45.8	0	0	0	0	110.5	L52 H56	L52-T54 HydrophobicContact CD2-CG2 4.1Å; T54-H56 VanDerWaalsContact C-N 3.34Å; T54-H56 PolarHBondContact O-N 3.47Å
55	Y	27.9	Very low	29.4	Very low	226 Å²	226	140.9 Å²	140.9	89%	0.886	69%	0.686	S	S	*	*	S	Bend	trans	-73	81.6	177.5	-169.3	-91.3	0	0	0	110.3
56	H	28.8	Very low	29.1	Very low	155 Å²	155	140.5 Å²	140.5	72%	0.718	69%	0.69	S	S	*	*	S	Bend	trans	-163.1	130.4	152.6	-125.7	-85.6	0	0	0	109.1	T54	T54-H56 VanDerWaalsContact C-N 3.34Å; T54-H56 PolarHBondContact O-N 3.47Å
57	Q	30.8	Very low	29	Very low	154 Å²	154	136.3 Å²	136.3	72%	0.72	70%	0.696	S	S	*	*			trans	81.2	73.5	174.3	-50.3	-62.1	-8.3	0	0	117.1
58	L	31.3	Very low	28.7	Very low	115 Å²	115	140.3 Å²	140.3	60%	0.602	71%	0.709	S	S	*	*			trans	-136.8	68.9	150.8	-70	175.9	0	0	0	111.2	V61 V63	L58-V61 HydrophobicContact CD2-CB 4.15Å; L58-V63 HydrophobicContact CD1-CG2 4.17Å; L58-V63 HydrophobicContact CD2-CG2 3.3Å; L58-V63 HydrophobicContact CG-CG2 4.36Å
59	K	26.1	Very low	28.5	Very low	202 Å²	202	139.5 Å²	139.5	88%	0.878	72%	0.722	S	S	*	*	S	Bend	trans	-86.6	109.6	146.1	-88.3	-171.3	176.9	-177.9	0	106.9
60	G	34.1	Very low	28	Very low	83 Å²	83	143 Å²	143	86%	0.856	73%	0.732	S	S	*	*	S	Bend	trans	59.9	59.9	164.4	0	0	0	0	0	116
61	V	24.5	Very low	27.9	Very low	101 Å²	101	146.9 Å²	146.9	61%	0.612	74%	0.742	S	S	*	*			trans	-138.6	123.9	164.2	-178.2	0	0	0	0	109.4	L58 V63	L58-V61 HydrophobicContact CD2-CB 4.15Å; V61-V63 HydrophobicContact CG1-CG2 4.42Å; V61-V63 PolarHBondContact O-N 3.13Å
62	R	25.9	Very low	27.3	Very low	230 Å²	230	150.4 Å²	150.4	87%	0.868	76%	0.761	S	S	*	*			trans	-68.6	94.7	164.7	-164.1	-170.6	-60.4	-165.2	2.5	106.8	Q64	R62-Q64 PolarHBondContact O-N 2.87Å
63	V	25.8	Very low	27.1	Very low	87 Å²	87	155.5 Å²	155.5	53%	0.527	77%	0.771	S	S	.	*			trans	-74.1	93.3	178.1	-170.8	0	0	0	0	109	L58 V61 M65	L58-V63 HydrophobicContact CD1-CG2 4.17Å; L58-V63 HydrophobicContact CD2-CG2 3.3Å; L58-V63 HydrophobicContact CG-CG2 4.36Å; V61-V63 HydrophobicContact CG1-CG2 4.42Å; V61-V63 PolarHBondContact O-N 3.13Å; V63-M65 HydrophobicContact CG1-CG 3.63Å; V63-M65 PolarHBondContact O-N 2.02Å
64	Q	26.5	Very low	26.6	Very low	155 Å²	155	155.7 Å²	155.7	72%	0.724	78%	0.777	S	S	*	*			trans	-76.8	96.2	160.2	-86.1	-85.1	-17.9	0	0	107.6	R62 K66	R62-Q64 PolarHBondContact O-N 2.87Å; Q64-K66 PolarHBondContact O-N 3.4Å
65	M	27.3	Very low	26.6	Very low	153 Å²	153	157.6 Å²	157.6	75%	0.754	78%	0.782	S	S	*	*			trans	-76.4	102.4	170.6	-68.5	-172.3	90.1	0	0	109.2	V63 A67	V63-M65 HydrophobicContact CG1-CG 3.63Å; V63-M65 PolarHBondContact O-N 2.02Å; M65-A67 PolarHBondContact O-N 3.19Å
66	K	25.7	Very low	26.4	Very low	187 Å²	187	152.3 Å²	152.3	81%	0.813	78%	0.778	S	S	*	*			trans	-81.5	105.4	158.4	-84.4	-176.8	175.9	178.7	0	108.2	Q64 K68	Q64-K66 PolarHBondContact O-N 3.4Å; K66-K68 PolarHBondContact O-N 3.5Å
67	A	29.6	Very low	26.2	Very low	101 Å²	101	152.3 Å²	152.3	84%	0.835	78%	0.782	S	S	*	*			trans	-71.1	106.2	167.6	0	0	0	0	0	108.9	M65 A69	M65-A67 PolarHBondContact O-N 3.19Å; A67-A69 PolarHBondContact O-N 3.37Å
68	K	26.2	Very low	26	Very low	185 Å²	185	148.7 Å²	148.7	80%	0.804	78%	0.779	S	S	*	*			trans	-82.3	101.8	163.9	-86.1	-175.9	174.9	-179	0	107.8	K66	K66-K68 PolarHBondContact O-N 3.5Å
69	A	28	Very low	26.1	Very low	98 Å²	98	151.5 Å²	151.5	81%	0.81	80%	0.795	S	S	*	*			trans	-75.3	121.9	166.3	0	0	0	0	0	108.7	A67 Q71	A67-A69 PolarHBondContact O-N 3.37Å; A69-Q71 PolarHBondContact O-N 2.71Å
70	Y	23.3	Very low	26.5	Very low	217 Å²	217	150 Å²	150	85%	0.851	79%	0.788	S	S	*	*			trans	-73.7	122.7	170.7	-81	-91.3	0	0	0	109.7
71	Q	25.4	Very low	26.5	Very low	175 Å²	175	149.9 Å²	149.9	82%	0.818	77%	0.772	S	S	*	*			trans	38.3	101.7	161.7	-62.7	-159.1	-13.7	0	0	118.7	A69	A69-Q71 PolarHBondContact O-N 2.71Å
72	L	23.1	Very low	27.1	Very low	162 Å²	162	151.5 Å²	151.5	85%	0.848	78%	0.775	S	S	*	*	S	Bend		-158.2	114.5	111	-120.7	101.6	0	0	0	109.3
73	W	21.8	Very low	27.7	Very low	239 Å²	239	145 Å²	145	91%	0.905	76%	0.755	S	S	*	*			trans	51.4	112.1	166.1	-64.2	80.4	0	0	0	120.1
74	T	23.6	Very low	28.5	Very low	130 Å²	130	145.2 Å²	145.2	80%	0.798	75%	0.751	S	S	*	*			trans	-69.9	124.7	177.8	42.2	0	0	0	0	113.6
75	I	23.1	Very low	29.4	Very low	154 Å²	154	141.2 Å²	141.2	79%	0.79	74%	0.737	S	S	*	*			trans	-127.7	112	142.1	-63.2	179.4	0	0	0	106.7	L77	I75-L77 HydrophobicContact CG2-CD1 4.29Å; I75-L77 PolarHBondContact O-N 3.22Å
76	S	23.5	Very low	30.2	Very low	116 Å²	116	139.4 Å²	139.4	81%	0.811	73%	0.725	S	S	*	*			trans	-78.7	110.7	177.9	-178.1	0	0	0	0	109
77	L	24.8	Very low	31.1	Very low	154 Å²	154	134.2 Å²	134.2	81%	0.806	71%	0.705	S	S	*	*			trans	-116.8	113	151.5	-96.2	107.1	0	0	0	108.3	I75	I75-L77 HydrophobicContact CG2-CD1 4.29Å; I75-L77 PolarHBondContact O-N 3.22Å
78	A	26.6	Very low	31.8	Very low	79 Å²	79	133.5 Å²	133.5	65%	0.653	69%	0.69	S	S	*	*			trans	31	91.9	151.5	0	0	0	0	0	117.8	K80	A78-K80 VanDerWaalsContact C-N 3.28Å; A78-K80 PolarHBondContact O-N 3.5Å
79	N	33.6	Very low	32.6	Very low	173 Å²	173	129.3 Å²	129.3	93%	0.925	67%	0.673	S	S	*	*	S	Bend	trans	35.9	25	137.7	-81.7	-12.4	0	0	0	122.1
80	K	33.8	Very low	33.3	Very low	170 Å²	170	130.2 Å²	130.2	74%	0.739	66%	0.661	S	S	*	*			trans	-118.5	132.8	168.9	-78.5	-175.9	178.5	178.5	0	111.4	A78 M82	A78-K80 VanDerWaalsContact C-N 3.28Å; A78-K80 PolarHBondContact O-N 3.5Å; K80-M82 PolarHBondContact O-N 2.86Å
81	P	34.1	Very low	34.1	Very low	81 Å²	81	125.3 Å²	125.3	53%	0.526	65%	0.648	S	S	.	*			trans	-68.7	129	179.5	27.7	-32.2	0	0	0	110.5	M83	P81-M83 PolarHBondContact O-N 3.46Å; P81-M83 VanDerWaalsContact O-N 3.08Å
82	M	36.8	Very low	34.7	Very low	135 Å²	135	120.7 Å²	120.7	67%	0.665	63%	0.632	S	S	*	*	S	Bend	trans	-63	-11.9	177.6	-75.9	-179.8	76.6	0	0	114	K80 Q106	K80-M82 PolarHBondContact O-N 2.86Å; M82-Q106 PolarHBondContact O-N 2.81Å
83	M	39.9	Very low	35.2	Very low	93 Å²	93	124 Å²	124	46%	0.458	63%	0.633	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-145.5	125.4	176.8	-170.6	179.6	-178.4	0	0	109.1	P81 V85 V103 V104 L105	P81-M83 PolarHBondContact O-N 3.46Å; P81-M83 VanDerWaalsContact O-N 3.08Å; M83-V85 HydrophobicContact CE-CG2 4.01Å; M83-V85 HydrophobicContact CG-CG2 4.4Å; M83-V103 HydrophobicContact CE-CG1 3.36Å; M83-V103 HydrophobicContact CG-CG1 4.45Å; M83-V104 CarbonylContact C-O 3.59Å; M83-V104 WeakPolarHBondContact CA-O 3.48Å; M83-L105 HydrophobicContact CB-CD1 3.86Å; M83-L105 HydrophobicContact CG-CD1 3.76Å; M83-L105 HydrophobicContact SD-CD1 4.08Å
84	E	42.6	Very low	35.9	Very low	92 Å²	92	120 Å²	120	43%	0.43	63%	0.629	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.7	123.8	175	-167	-179.3	176.5	0	0	109.2	K86 V104	E84-K86 WeakPolarHBondContact OE1-CE 3.23Å; E84-K86 IonicContact OE1-NZ 2.7Å; E84-V104 HydrophobicContact CB-CB 4.46Å; E84-V104 PolarHBondContact N-O 2.92Å; E84-V104 PolarHBondContact O-N 3.21Å
85	V	44.1	Very low	36.4	Very low	71 Å²	71	120.1 Å²	120.1	43%	0.43	62%	0.621	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.4	114.5	177.4	-177.5	0	0	0	0	108.3	M83 I87 V101 Q102 V103	M83-V85 HydrophobicContact CE-CG2 4.01Å; M83-V85 HydrophobicContact CG-CG2 4.4Å; V85-I87 HydrophobicContact CG1-CG1 4.15Å; V85-V101 HydrophobicContact CG1-CG1 4.1Å; V85-Q102 CarbonylContact C-O 3.54Å; V85-Q102 WeakPolarHBondContact CA-O 3.24Å; V85-V103 HydrophobicContact CG1-CG2 4.15Å; V85-V103 HydrophobicContact CG2-CG1 4.26Å; V85-V103 HydrophobicContact CG2-CG2 4.21Å
86	K	44.2	Very low	37.2	Very low	115 Å²	115	118.1 Å²	118.1	50%	0.5	61%	0.611	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.1	124.8	173.7	-79.1	-178.9	179.8	163.2	0	109.8	E84 V101 Q102	E84-K86 WeakPolarHBondContact OE1-CE 3.23Å; E84-K86 IonicContact OE1-NZ 2.7Å; K86-V101 WeakPolarHBondContact O-CA 3.25Å; K86-Q102 HydrophobicContact CB-CB 4.31Å; K86-Q102 PolarHBondContact N-O 3.43Å; K86-Q102 PolarHBondContact O-N 2.86Å
87	I	45.3	Very low	38	Very low	78 Å²	78	115.1 Å²	115.1	40%	0.4	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.4	113	178.4	-57.9	178.1	0	0	0	107.7	V85 I98 V101	V85-I87 HydrophobicContact CG1-CG1 4.15Å; I87-I98 HydrophobicContact CG2-CB 4.38Å; I87-I98 HydrophobicContact CG2-CD1 3.97Å; I87-I98 HydrophobicContact CG2-CG1 3.96Å; I87-I98 HydrophobicContact CG2-CG2 3.58Å; I87-V101 HydrophobicContact CG1-CG1 4.29Å; I87-V101 HydrophobicContact CG1-CG2 4.36Å; I87-V101 HydrophobicContact CG2-CG2 4.33Å
88	T	44.1	Very low	39	Very low	86 Å²	86	112 Å²	112	53%	0.528	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.2	124.1	174.9	-44.1	0	0	0	0	108.4	V99 G100	T88-V99 PolarHBondContact O-N 3.25Å; T88-G100 PolarHBondContact N-O 3.46Å; T88-G100 PolarHBondContact O-N 3.2Å
89	H	43.8	Very low	39.7	Very low	97 Å²	97	110.8 Å²	110.8	45%	0.449	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.1	154.6	-179.9	62.6	-92.6	0	0	0	110.6	L96 V97	H89-L96 HydrophobicContact CB-CD1 3.95Å; H89-L96 HydrophobicContact CB-CG 4.28Å; H89-L96 WeakPolarHBondContact CD2-CD1 3.42Å; H89-V97 CarbonylContact C-O 3.6Å; H89-V97 WeakPolarHBondContact CA-O 3.31Å; H89-V97 WeakPolarHBondContact CB-O 3.16Å
90	Q	42.3	Very low	40.1	Very low	118 Å²	118	103.2 Å²	103.2	55%	0.551	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	146.5	168.7	-81.4	-178.2	-11.4	0	0	108.9	V92 V97 V99	Q90-V92 HydrophobicContact CB-CG2 4.5Å; Q90-V97 PolarHBondContact N-O 3.47Å; Q90-V97 PolarHBondContact O-N 3.47Å; Q90-V99 HydrophobicContact CB-CG2 3.78Å; Q90-V99 HydrophobicContact CG-CG2 3.77Å
91	I	39.3	Very low	40.6	Very low	113 Å²	113	97 Å²	97	58%	0.579	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	113.6	173.4	-61.2	175	0	0	0	107	H95 L96	I91-H95 WeakPolarHBondContact CA-O 3.46Å; I91-L96 HydrophobicContact CD1-CD1 4.33Å; I91-L96 HydrophobicContact CG1-CD1 3.81Å
92	V	38.8	Very low	41	Very low	79 Å²	79	96.5 Å²	96.5	48%	0.479	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.2	177.1	-176.4	0	0	0	0	107.5	Q90 N94 H95	Q90-V92 HydrophobicContact CB-CG2 4.5Å; V92-N94 PolarHBondContact O-N 3.07Å; V92-H95 PolarHBondContact N-O 3.23Å; V92-H95 PolarHBondContact O-N 2.82Å
93	R	32.9	Very low	41.3	Very low	230 Å²	230	92.6 Å²	92.6	87%	0.868	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	53.5	-179.9	-63.9	-178.9	176.1	173.6	-2.5	113.3	H95	R93-H95 PolarHBondContact O-CD2 2.84Å; R93-H95 VanDerWaalsContact O-CD2 3.28Å; R93-H95 PolarHBondContact O-N 3.21Å
94	N	35.9	Very low	41.5	Very low	155 Å²	155	90.4 Å²	90.4	83%	0.829	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	12.1	-178.6	-81.8	-3.1	0	0	0	116.7	V92	V92-N94 PolarHBondContact O-N 3.07Å
95	H	35.8	Very low	41.4	Very low	134 Å²	134	88.9 Å²	88.9	62%	0.62	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.8	134.8	173.6	-66.1	-69.7	0	0	0	111.9	I91 V92 R93 V97	I91-H95 WeakPolarHBondContact CA-O 3.46Å; V92-H95 PolarHBondContact N-O 3.23Å; V92-H95 PolarHBondContact O-N 2.82Å; R93-H95 PolarHBondContact O-CD2 2.84Å; R93-H95 VanDerWaalsContact O-CD2 3.28Å; R93-H95 PolarHBondContact O-N 3.21Å; H95-V97 PolarHBondContact O-N 3.12Å
96	L	38.6	Very low	41.2	Very low	111 Å²	111	89.6 Å²	89.6	58%	0.581	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	111.2	177.4	-170.9	76.5	0	0	0	109.8	H89 I91	H89-L96 HydrophobicContact CB-CD1 3.95Å; H89-L96 HydrophobicContact CB-CG 4.28Å; H89-L96 WeakPolarHBondContact CD2-CD1 3.42Å; I91-L96 HydrophobicContact CD1-CD1 4.33Å; I91-L96 HydrophobicContact CG1-CD1 3.81Å
97	V	40.8	Very low	40.9	Very low	54 Å²	54	86.7 Å²	86.7	33%	0.327	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.9	179.1	-176.7	0	0	0	0	108.9	H89 Q90 H95 V99	H89-V97 CarbonylContact C-O 3.6Å; H89-V97 WeakPolarHBondContact CA-O 3.31Å; H89-V97 WeakPolarHBondContact CB-O 3.16Å; Q90-V97 PolarHBondContact N-O 3.47Å; Q90-V97 PolarHBondContact O-N 3.47Å; H95-V97 PolarHBondContact O-N 3.12Å; V97-V99 PolarHBondContact O-N 3.12Å
98	I	44.6	Very low	40.3	Very low	89 Å²	89	88.4 Å²	88.4	46%	0.456	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	116	175.5	-61.4	173.7	0	0	0	108.3	I87 V101	I87-I98 HydrophobicContact CG2-CB 4.38Å; I87-I98 HydrophobicContact CG2-CD1 3.97Å; I87-I98 HydrophobicContact CG2-CG1 3.96Å; I87-I98 HydrophobicContact CG2-CG2 3.58Å; I98-V101 HydrophobicContact CG2-CG2 3.73Å
99	V	42.2	Very low	39.9	Very low	53 Å²	53	89.6 Å²	89.6	32%	0.321	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-13.1	-176	-125.7	0	0	0	0	112.2	T88 Q90 V97	T88-V99 PolarHBondContact O-N 3.25Å; Q90-V99 HydrophobicContact CB-CG2 3.78Å; Q90-V99 HydrophobicContact CG-CG2 3.77Å; V97-V99 PolarHBondContact O-N 3.12Å
100	G	42.7	Very low	39.5	Very low	13 Å²	13	89.9 Å²	89.9	13%	0.134	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	145.9	174.9	0	0	0	0	0	112.6	T88	T88-G100 PolarHBondContact N-O 3.46Å; T88-G100 PolarHBondContact O-N 3.2Å
101	V	43	Very low	39.2	Very low	39 Å²	39	89.7 Å²	89.7	24%	0.236	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	116.3	171	-178.2	0	0	0	0	107.7	V85 K86 I87 I98 V103	V85-V101 HydrophobicContact CG1-CG1 4.1Å; K86-V101 WeakPolarHBondContact O-CA 3.25Å; I87-V101 HydrophobicContact CG1-CG1 4.29Å; I87-V101 HydrophobicContact CG1-CG2 4.36Å; I87-V101 HydrophobicContact CG2-CG2 4.33Å; I98-V101 HydrophobicContact CG2-CG2 3.73Å; V101-V103 HydrophobicContact CG1-CG2 4.19Å
102	Q	43	Very low	38.8	Very low	72 Å²	72	91.6 Å²	91.6	34%	0.336	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.6	175.8	-175	177.5	-9.9	0	0	108.8	V85 K86 V104	V85-Q102 CarbonylContact C-O 3.54Å; V85-Q102 WeakPolarHBondContact CA-O 3.24Å; K86-Q102 HydrophobicContact CB-CB 4.31Å; K86-Q102 PolarHBondContact N-O 3.43Å; K86-Q102 PolarHBondContact O-N 2.86Å; Q102-V104 HydrophobicContact CG-CG2 4.26Å
103	V	44.1	Very low	38.4	Very low	53 Å²	53	94.3 Å²	94.3	32%	0.321	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	117.6	177.3	179.7	0	0	0	0	107.9	M83 V85 V101	M83-V103 HydrophobicContact CE-CG1 3.36Å; M83-V103 HydrophobicContact CG-CG1 4.45Å; V85-V103 HydrophobicContact CG1-CG2 4.15Å; V85-V103 HydrophobicContact CG2-CG1 4.26Å; V85-V103 HydrophobicContact CG2-CG2 4.21Å; V101-V103 HydrophobicContact CG1-CG2 4.19Å
104	V	42.8	Very low	38.4	Very low	47 Å²	47	87.2 Å²	87.2	29%	0.285	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	114.7	175.5	-175.8	0	0	0	0	107.4	M83 E84 Q102	M83-V104 CarbonylContact C-O 3.59Å; M83-V104 WeakPolarHBondContact CA-O 3.48Å; E84-V104 HydrophobicContact CB-CB 4.46Å; E84-V104 PolarHBondContact N-O 2.92Å; E84-V104 PolarHBondContact O-N 3.21Å; Q102-V104 HydrophobicContact CG-CG2 4.26Å
105	L	41.2	Very low	38.2	Very low	60 Å²	60	84.7 Å²	84.7	31%	0.314	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	116.9	176.2	-169.5	73.6	0	0	0	108.3	M12 M83 V107	M12-L105 HydrophobicContact CE-CD2 4.46Å; M83-L105 HydrophobicContact CB-CD1 3.86Å; M83-L105 HydrophobicContact CG-CD1 3.76Å; M83-L105 HydrophobicContact SD-CD1 4.08Å; L105-V107 HydrophobicContact CD2-CG2 3.56Å; L105-V107 HydrophobicContact CG-CG2 3.75Å
106	Q	39.4	Very low	38.1	Very low	85 Å²	85	83.8 Å²	83.8	40%	0.397	44%	0.44	S	S	.	.			trans	-95.5	101.7	170.5	-79.3	-171.3	-65.3	0	0	108.4	M82	M82-Q106 PolarHBondContact O-N 2.81Å
107	V	37.3	Very low	37.8	Very low	54 Å²	54	80.9 Å²	80.9	33%	0.327	43%	0.427	S	S	.	.			trans	-98.4	104.8	170.6	-169.4	0	0	0	0	107.5	L105 I109	L105-V107 HydrophobicContact CD2-CG2 3.56Å; L105-V107 HydrophobicContact CG-CG2 3.75Å; V107-I109 HydrophobicContact CG1-CD1 4.21Å; V107-I109 HydrophobicContact CG1-CG1 3.72Å; V107-I109 PolarHBondContact O-N 2.87Å
108	V	34.6	Very low	37.5	Very low	114 Å²	114	80.2 Å²	80.2	69%	0.691	42%	0.423	S	S	*	.			trans	-81.4	95.1	170.1	-176.6	0	0	0	0	107.2
109	I	34.9	Very low	36.9	Very low	112 Å²	112	80.5 Å²	80.5	57%	0.574	42%	0.421	S	S	*	.	B	Isolated β-bridge	trans	-90.8	122.2	163	-56.4	-178.3	0	0	0	105.6	V107 Q111 Y112	V107-I109 HydrophobicContact CG1-CD1 4.21Å; V107-I109 HydrophobicContact CG1-CG1 3.72Å; V107-I109 PolarHBondContact O-N 2.87Å; I109-Q111 PolarHBondContact O-N 3Å; I109-Q111 VanDerWaalsContact O-N 3.14Å; I109-Y112 PolarHBondContact O-N 3.18Å
110	S	35.1	Very low	36.6	Very low	103 Å²	103	80 Å²	80	72%	0.72	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.1	121.9	179	-170.1	0	0	0	0	110.7
111	Q	35.8	Very low	36.1	Very low	113 Å²	113	84.3 Å²	84.3	53%	0.528	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	-2.6	177.2	-70.5	-179.1	-8.2	0	0	121.4	I109 I272	I109-Q111 PolarHBondContact O-N 3Å; I109-Q111 VanDerWaalsContact O-N 3.14Å; Q111-I272 HydrophobicContact CG-CD1 3.95Å; Q111-I272 HydrophobicContact CG-CG1 4.12Å
112	Y	31.7	Very low	35.7	Very low	154 Å²	154	85.3 Å²	85.3	60%	0.604	45%	0.447	S	S	*	.	B	Isolated β-bridge	trans	-140.1	115.1	170.5	-65.4	-84.9	0	0	0	112.4	I109 I114	I109-Y112 PolarHBondContact O-N 3.18Å; Y112-I114 PolarHBondContact O-N 2.89Å
113	D	29	Very low	35.2	Very low	135 Å²	135	86.3 Å²	86.3	72%	0.722	45%	0.454	S	S	*	.			trans	-70.3	83.1	165.4	-81	-34.4	0	0	0	109.2	F115	D113-F115 HydrophobicContact CB-CD2 4.48Å; D113-F115 HydrophobicContact CB-CE2 3.84Å; D113-F115 HydrophobicContact CB-CZ 4.36Å
114	I	33.4	Very low	34.7	Very low	82 Å²	82	89 Å²	89	42%	0.421	48%	0.476	S	S	.	.			trans	-92.4	105.4	169.5	-56.4	176.2	0	0	0	107.6	Y112 F116	Y112-I114 PolarHBondContact O-N 2.89Å; I114-F116 HydrophobicContact CB-CE2 4.29Å; I114-F116 HydrophobicContact CG2-CD2 3.89Å; I114-F116 HydrophobicContact CG2-CE1 4.38Å; I114-F116 HydrophobicContact CG2-CE2 3.38Å; I114-F116 HydrophobicContact CG2-CZ 3.67Å
115	F	32.4	Very low	34.4	Very low	102 Å²	102	92.2 Å²	92.2	45%	0.447	50%	0.495	S	S	.	.			trans	-83.7	113	171.1	-63.4	-85.4	0	0	0	109.6	D113	D113-F115 HydrophobicContact CB-CD2 4.48Å; D113-F115 HydrophobicContact CB-CE2 3.84Å; D113-F115 HydrophobicContact CB-CZ 4.36Å
116	F	34	Very low	34	Very low	114 Å²	114	94.4 Å²	94.4	50%	0.5	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	105.3	163.2	-68.8	-81	0	0	0	108.4	I114	I114-F116 HydrophobicContact CB-CE2 4.29Å; I114-F116 HydrophobicContact CG2-CD2 3.89Å; I114-F116 HydrophobicContact CG2-CE1 4.38Å; I114-F116 HydrophobicContact CG2-CE2 3.38Å; I114-F116 HydrophobicContact CG2-CZ 3.67Å
117	V	31.6	Very low	33.8	Very low	51 Å²	51	100 Å²	100	31%	0.309	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	105.1	168.5	-170.9	0	0	0	0	107.5	F119	V117-F119 HydrophobicContact CB-CE2 4.24Å; V117-F119 HydrophobicContact CG1-CD2 3.73Å; V117-F119 HydrophobicContact CG1-CE2 3.29Å; V117-F119 HydrophobicContact CG1-CZ 3.79Å
118	V	34.9	Very low	33.5	Very low	40 Å²	40	100.8 Å²	100.8	24%	0.242	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	110.4	173.8	-177.6	0	0	0	0	108
119	F	32.1	Very low	33.6	Very low	94 Å²	94	100 Å²	100	41%	0.412	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	119.4	170.6	-76.5	-83.5	0	0	0	109.5	V117	V117-F119 HydrophobicContact CB-CE2 4.24Å; V117-F119 HydrophobicContact CG1-CD2 3.73Å; V117-F119 HydrophobicContact CG1-CE2 3.29Å; V117-F119 HydrophobicContact CG1-CZ 3.79Å
120	C	35.1	Very low	33.6	Very low	42 Å²	42	96.4 Å²	96.4	28%	0.284	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	106.7	164.1	-96.9	0	0	0	0	108.2
121	V	32.3	Very low	33.5	Very low	104 Å²	104	93.5 Å²	93.5	63%	0.63	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	111.2	170.5	-177.6	0	0	0	0	107.6	N123	V121-N123 PolarHBondContact O-N 3.24Å
122	L	35.7	Very low	33.5	Very low	60 Å²	60	91.4 Å²	91.4	31%	0.314	47%	0.472	S	S	.	.			trans	-85.9	98.2	169.1	-85.6	156.6	0	0	0	107.4	I27 S124	I27-L122 HydrophobicContact CD1-CD1 4.14Å; L122-S124 PolarHBondContact O-N 2.65Å
123	N	32.2	Very low	33.7	Very low	93 Å²	93	88.9 Å²	88.9	50%	0.497	47%	0.465	S	S	.	.			trans	-80.9	110.6	173.1	-163.8	-5.4	0	0	0	109	V121 T125 N126	V121-N123 PolarHBondContact O-N 3.24Å; N123-T125 PolarHBondContact O-N 3.39Å; N123-T125 PolarHBondContact OD1-OG1 2.72Å; N123-T125 VanDerWaalsContact OD1-OG1 3.07Å; N123-N126 PolarHBondContact O-N 3.41Å; N123-N126 VanDerWaalsContact O-O 3.11Å
124	S	34.2	Very low	34	Very low	110 Å²	110	85.9 Å²	85.9	77%	0.769	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-11.6	-175.2	-173.8	0	0	0	0	114	L122	L122-S124 PolarHBondContact O-N 2.65Å
125	T	35.8	Very low	34	Very low	114 Å²	114	85.6 Å²	85.6	70%	0.699	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-14	-176.9	49	0	0	0	0	114.5	N123	N123-T125 PolarHBondContact O-N 3.39Å; N123-T125 PolarHBondContact OD1-OG1 2.72Å; N123-T125 VanDerWaalsContact OD1-OG1 3.07Å
126	N	33.6	Very low	34.2	Very low	107 Å²	107	86 Å²	86	57%	0.572	45%	0.454	S	S	*	.	S	Bend	trans	-132.2	116.4	176.3	-89.6	-48.6	0	0	0	108.8	N123 N128	N123-N126 PolarHBondContact O-N 3.41Å; N123-N126 VanDerWaalsContact O-O 3.11Å; N126-N128 PolarHBondContact O-N 2.96Å
127	K	34.6	Very low	34.3	Very low	202 Å²	202	87.4 Å²	87.4	88%	0.878	47%	0.467	S	S	*	.			trans	-66.5	38	-176.9	-62	177.9	179.6	174.1	0	114.1
128	N	31.6	Very low	34.6	Very low	70 Å²	70	89.4 Å²	89.4	37%	0.374	48%	0.479	S	S	.	.			trans	-119.6	127.9	177.8	-72.3	-27.8	0	0	0	109.9	N126	N126-N128 PolarHBondContact O-N 2.96Å
129	M	35.9	Very low	34.4	Very low	98 Å²	98	91.1 Å²	91.1	48%	0.483	51%	0.505	S	S	.	.			trans	-92.8	122.7	172.4	-176.3	-179.9	69.3	0	0	108.4	I16 L131	I16-M129 HydrophobicContact CD1-SD 4.14Å; M129-L131 HydrophobicContact CE-CD1 3.97Å; M129-L131 HydrophobicContact CG-CD1 4.14Å; M129-L131 HydrophobicContact SD-CD1 4.14Å
130	V	34.8	Very low	34.2	Very low	36 Å²	36	91.4 Å²	91.4	22%	0.218	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	120.3	175.6	-172.7	0	0	0	0	108.4	H132 E143 K145	V130-H132 VanDerWaalsContact CG1-NE2 3.34Å; V130-H132 WeakPolarHBondContact CG1-NE2 3.32Å; V130-E143 HydrophobicContact CG1-CG 4.27Å; V130-K145 HydrophobicContact CG2-CG 4.44Å
131	L	34.1	Very low	34	Very low	42 Å²	42	94 Å²	94	22%	0.22	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	127.6	171.9	-101.3	83.6	0	0	0	109.3	M129 F133	M129-L131 HydrophobicContact CE-CD1 3.97Å; M129-L131 HydrophobicContact CG-CD1 4.14Å; M129-L131 HydrophobicContact SD-CD1 4.14Å; L131-F133 HydrophobicContact CB-CE2 4.17Å; L131-F133 HydrophobicContact CD2-CE1 4.37Å; L131-F133 HydrophobicContact CD2-CE2 4.15Å; L131-F133 HydrophobicContact CD2-CZ 3.66Å
132	H	35	Very low	34	Very low	69 Å²	69	94 Å²	94	32%	0.319	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.6	169.2	-71.1	-84.5	0	0	0	110.3	V130	V130-H132 VanDerWaalsContact CG1-NE2 3.34Å; V130-H132 WeakPolarHBondContact CG1-NE2 3.32Å
133	F	35.4	Very low	33.9	Very low	102 Å²	102	96.1 Å²	96.1	45%	0.447	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123	172.7	-60.3	-87.4	0	0	0	108.5	L131	L131-F133 HydrophobicContact CB-CE2 4.17Å; L131-F133 HydrophobicContact CD2-CE1 4.37Å; L131-F133 HydrophobicContact CD2-CE2 4.15Å; L131-F133 HydrophobicContact CD2-CZ 3.66Å
134	I	35.7	Very low	33.9	Very low	72 Å²	72	99.7 Å²	99.7	37%	0.369	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.5	120.6	173.5	-56.8	177.3	0	0	0	107.7
135	N	33.4	Very low	33.6	Very low	75 Å²	75	101.4 Å²	101.4	40%	0.401	54%	0.544	S	S	.	.			trans	-102.1	118.7	169.9	-172.1	2.3	0	0	0	107.7	N137 T138	N135-N137 PolarHBondContact O-N 3.14Å; N135-T138 PolarHBondContact O-N 2.96Å
136	N	35.9	Very low	33.2	Very low	111 Å²	111	101 Å²	101	59%	0.594	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-0.6	-171.9	-92.6	4.3	0	0	0	115
137	N	36.3	Very low	32.8	Very low	143 Å²	143	101 Å²	101	77%	0.765	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-2.3	178.6	-72.3	-8.8	0	0	0	115.2	N135	N135-N137 PolarHBondContact O-N 3.14Å
138	T	38.9	Very low	32.4	Very low	94 Å²	94	96.6 Å²	96.6	58%	0.577	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.9	-2.3	-179.5	56.6	0	0	0	0	116.8	N135 T140	N135-T138 PolarHBondContact O-N 2.96Å; T138-T140 PolarHBondContact O-N 3.26Å
139	G	30.6	Very low	32	Very low	75 Å²	75	99.4 Å²	99.4	77%	0.773	56%	0.557	S	S	*	*			trans	62.7	3.3	169.6	0	0	0	0	0	117.7
140	T	26.9	Very low	31.4	Very low	100 Å²	100	103.5 Å²	103.5	61%	0.613	57%	0.569	S	S	*	*			trans	-112.2	127.3	179.7	52.3	0	0	0	0	112.2	T138	T138-T140 PolarHBondContact O-N 3.26Å
141	P	31.1	Very low	31	Very low	97 Å²	97	109.6 Å²	109.6	63%	0.63	60%	0.598	S	S	*	*			trans	-75.4	129.6	174.7	0.6	14.2	0	0	0	111
142	T	32.9	Very low	30.5	Very low	104 Å²	104	110.2 Å²	110.2	64%	0.638	61%	0.61	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.9	109.2	164.7	17.1	0	0	0	0	109.5
143	E	32.5	Very low	30.1	Very low	105 Å²	105	113.7 Å²	113.7	49%	0.491	63%	0.631	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.8	135.9	177.7	-170.5	-177.7	170.2	0	0	110.5	V130 K145	V130-E143 HydrophobicContact CG1-CG 4.27Å; E143-K145 WeakPolarHBondContact OE1-CE 3.16Å; E143-K145 IonicContact OE1-NZ 2.68Å; E143-K145 PolarHBondContact OE1-NZ 3.18Å
144	K	33	Very low	29.7	Very low	168 Å²	168	115 Å²	115	73%	0.73	65%	0.647	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-130.9	106	169.3	-151	178.9	-173.9	-177.7	0	109.8
145	K	27	Very low	29.4	Very low	145 Å²	145	117 Å²	117	63%	0.63	67%	0.665	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.9	135.1	177.3	-91.2	174.4	170.6	123.1	0	111.1	V130 E143	V130-K145 HydrophobicContact CG2-CG 4.44Å; E143-K145 WeakPolarHBondContact OE1-CE 3.16Å; E143-K145 IonicContact OE1-NZ 2.68Å; E143-K145 PolarHBondContact OE1-NZ 3.18Å
146	T	28.7	Very low	29.9	Very low	105 Å²	105	118.8 Å²	118.8	64%	0.644	68%	0.68	S	S	*	*			trans	-125.9	132.3	167.7	-51.6	0	0	0	0	108.1
147	T	24.1	Very low	29.4	Very low	107 Å²	107	120.2 Å²	120.2	66%	0.656	69%	0.693	S	S	*	*			trans	-118.8	142.5	-175.4	-43.6	0	0	0	0	110.6
148	V	26.5	Very low	28.9	Very low	111 Å²	111	122.2 Å²	122.2	67%	0.673	70%	0.697	S	S	*	*			trans	-116.6	142.6	179	-176.2	0	0	0	0	109.4
149	P	24	Very low	28.3	Very low	128 Å²	128	120.9 Å²	120.9	83%	0.831	70%	0.702	S	S	*	*			trans	-82.4	159	-169.6	31.5	-32.2	0	0	0	115.3
150	Y	23.1	Very low	28	Very low	185 Å²	185	124.3 Å²	124.3	73%	0.725	70%	0.703	S	S	*	*			trans	-92.3	148.3	-168.4	174.3	-91.8	0	0	0	114.7	A152	Y150-A152 HydrophobicContact CE1-CB 4Å
151	I	25.7	Very low	28	Very low	163 Å²	163	126.9 Å²	126.9	84%	0.836	71%	0.712	S	S	*	*			trans	-143.2	140.2	151.3	-60.7	-173.5	0	0	0	110.4
152	A	24.6	Very low	27.7	Very low	56 Å²	56	127.3 Å²	127.3	46%	0.463	72%	0.717	S	S	.	*			trans	-60.6	172.6	-178.2	0	0	0	0	0	115	Y150	Y150-A152 HydrophobicContact CE1-CB 4Å
153	D	26.6	Very low	27.3	Very low	142 Å²	142	126.4 Å²	126.4	76%	0.759	72%	0.715	S	S	*	*			cis	-173.1	166.4	15.1	-129.9	-25.2	0	0	0	109.4
154	V	26.2	Very low	27	Very low	130 Å²	130	127.5 Å²	127.5	79%	0.788	73%	0.729	S	S	*	*			trans	85.4	143.8	149.8	169.7	0	0	0	0	121.7
155	P	30.3	Very low	26.7	Very low	114 Å²	114	124.9 Å²	124.9	74%	0.74	73%	0.732	S	S	*	*			trans	-125.6	-142.2	-135.2	38.2	-15.7	0	0	0	115.4
156	P	42.7	Very low	26.7	Very low	111 Å²	111	121.8 Å²	121.8	72%	0.721	73%	0.733	S	S	*	*				-117.3	167	-111	39.3	-21.4	0	0	0	114.3
157	V	26.1	Very low	26.6	Very low	142 Å²	142	123 Å²	123	86%	0.861	74%	0.741	S	S	*	*			trans	-147.5	139.4	154.3	-176.8	0	0	0	0	112.3
158	E	25.5	Very low	26.6	Very low	185 Å²	185	123.4 Å²	123.4	86%	0.864	75%	0.748	S	S	*	*			trans	-52.3	164.6	179.7	-63.8	160.7	149.9	0	0	116.4
159	G	27.2	Very low	26.7	Very low	66 Å²	66	125.9 Å²	125.9	68%	0.68	75%	0.752	S	S	*	*			trans	-112.8	162.7	168.3	0	0	0	0	0	111.5
160	D	23.4	Very low	26.7	Very low	146 Å²	146	130 Å²	130	78%	0.781	76%	0.757	S	S	*	*			trans	-126.4	126.7	166.5	-86.7	-31.6	0	0	0	107.4
161	L	26.7	Very low	26.9	Very low	155 Å²	155	128.9 Å²	128.9	81%	0.812	76%	0.758	S	S	*	*				60.3	114.7	88	-86.1	147.9	0	0	0	111.3
162	S	24.6	Very low	28	Very low	106 Å²	106	125.5 Å²	125.5	74%	0.741	75%	0.747	S	S	*	*				147.6	147.8	91.5	-161.5	0	0	0	0	103.7
163	S	26	Very low	29	Very low	84 Å²	84	127.9 Å²	127.9	59%	0.587	76%	0.757	S	S	*	*			cis	175.4	160.8	2.9	41.6	0	0	0	0	108.2
164	T	25.1	Very low	29	Very low	128 Å²	128	127.5 Å²	127.5	79%	0.785	76%	0.755	S	S	*	*			trans	61.4	143.9	137.1	46.7	0	0	0	0	119.5
165	S	26.5	Very low	29.2	Very low	113 Å²	113	129.2 Å²	129.2	79%	0.79	76%	0.755	S	S	*	*			cis	-169.1	174.9	11.7	-11.6	0	0	0	0	105.4
166	A	27.4	Very low	29.2	Very low	80 Å²	80	132.2 Å²	132.2	66%	0.661	76%	0.759	S	S	*	*			cis	-170.7	146.6	11.6	0	0	0	0	0	109.6
167	V	26.4	Very low	28.6	Very low	132 Å²	132	135.1 Å²	135.1	80%	0.8	77%	0.767	S	S	*	*				59.4	124.9	127.1	-170.1	0	0	0	0	117.9
168	S	24.1	Very low	28.7	Very low	115 Å²	115	136.3 Å²	136.3	80%	0.804	76%	0.763	S	S	*	*				-159.9	146	69.4	-162.2	0	0	0	0	115.1
169	Q	27.8	Very low	28.6	Very low	163 Å²	163	136 Å²	136	76%	0.762	76%	0.759	S	S	*	*			trans	-92.4	159.2	-171.9	-61.2	166.1	-50.4	0	0	112.7
170	K	25.2	Very low	28.5	Very low	214 Å²	214	140.5 Å²	140.5	93%	0.93	76%	0.762	S	S	*	*				-158.8	135.2	114.1	-114	175.8	-179.4	-179.5	0	112
171	E	26.8	Very low	28.5	Very low	161 Å²	161	142.4 Å²	142.4	75%	0.752	76%	0.763	S	S	*	*			trans	-127.2	-167.5	-176.4	-122.9	-154.3	149.8	0	0	104.7
172	P	49	Very low	28.3	Very low	93 Å²	93	143.7 Å²	143.7	60%	0.604	77%	0.767	S	S	*	*			cis	-140.3	-135.3	-45.4	39.6	-18.5	0	0	0	108.4
173	P	45	Very low	28.3	Very low	105 Å²	105	144 Å²	144	68%	0.682	77%	0.769	S	S	*	*			cis	-138.7	174	-24	33.7	-13.4	0	0	0	116.7
174	N	27.3	Very low	28.2	Very low	134 Å²	134	149 Å²	149	72%	0.717	78%	0.781	S	S	*	*			trans	22.5	160.1	135.7	-76.9	10.6	0	0	0	121.2
175	E	31.1	Very low	28.1	Very low	166 Å²	166	150.3 Å²	150.3	78%	0.776	78%	0.776	S	S	*	*			cis	-168.8	173.1	20.1	-131	154.7	-147.1	0	0	109.1
176	E	29.5	Very low	28.2	Very low	178 Å²	178	154.2 Å²	154.2	83%	0.832	78%	0.781	S	S	*	*			trans	-62.1	162.6	176.8	-64.6	172.3	136.7	0	0	115.9
177	I	29.1	Very low	28.1	Very low	172 Å²	172	157 Å²	157	88%	0.882	78%	0.781	S	S	*	*				171.6	140.4	125.3	-84	156.7	0	0	0	111.6
178	E	28.6	Very low	28.2	Very low	166 Å²	166	157.7 Å²	157.7	78%	0.776	79%	0.785	S	S	*	*			trans	-57.2	152.1	174.1	-62.8	176.9	121.6	0	0	116.2
179	K	24.5	Very low	28.3	Very low	180 Å²	180	159.2 Å²	159.2	78%	0.783	78%	0.779	S	S	*	*				166.6	128.5	111.1	-90.3	176.4	-174.8	179	0	114.5
180	Q	24.4	Very low	28.3	Very low	159 Å²	159	157.9 Å²	157.9	74%	0.743	78%	0.777	S	S	*	*			trans	50.8	129.8	134.7	-64.4	-169.8	-2.9	0	0	124.7
181	K	23.5	Very low	28.6	Very low	186 Å²	186	154.7 Å²	154.7	81%	0.809	77%	0.768	S	S	*	*			trans	70.8	126.8	131.6	-79.1	-177.7	172.1	-179.8	0	121.9
182	M	22.9	Very low	28.4	Very low	183 Å²	183	149.9 Å²	149.9	90%	0.901	76%	0.762	S	S	*	*				-170.5	115.9	125.9	-136.1	136.9	62.5	0	0	108.7
183	S	24.1	Very low	27.9	Very low	112 Å²	112	151.1 Å²	151.1	78%	0.783	77%	0.77	S	S	*	*				70.9	122.6	76.8	-171.8	0	0	0	0	115.5
184	K	23	Very low	26.9	Very low	189 Å²	189	152 Å²	152	82%	0.822	77%	0.773	S	S	*	*				-179.4	108.9	125.2	-157.2	163.2	-177.3	-175.1	0	109
185	K	24.4	Very low	26.8	Very low	156 Å²	156	151.6 Å²	151.6	68%	0.678	78%	0.776	S	S	*	*				85.1	115.4	75.1	-156.9	-169.6	-173.2	-168.5	0	112.4
186	E	27.4	Very low	26.5	Very low	195 Å²	195	149.2 Å²	149.2	91%	0.911	77%	0.773	S	S	*	*				-167.2	156.1	117.2	-111.1	170	-169.2	0	0	112.6
187	E	25.6	Very low	26.3	Very low	138 Å²	138	149.2 Å²	149.2	65%	0.645	77%	0.773	S	S	*	*			trans	-132.5	139.3	-150.6	158.9	-170.9	-174.4	0	0	106.5
188	V	28.3	Very low	26.3	Very low	146 Å²	146	147.2 Å²	147.2	89%	0.885	77%	0.769	S	S	*	*			trans	-149.4	129.8	141.9	-177.5	0	0	0	0	109.5
189	E	26.6	Very low	26.3	Very low	147 Å²	147	148 Å²	148	69%	0.687	77%	0.773	S	S	*	*			trans	-75.7	155.7	-179	-167.9	-177.4	-162.8	0	0	113
190	L	27.3	Very low	26.8	Very low	136 Å²	136	147.1 Å²	147.1	71%	0.712	78%	0.776	S	S	*	*				178.8	113.9	120.8	-110.7	76.5	0	0	0	112.1
191	I	31.5	Very low	27	Very low	146 Å²	146	144.5 Å²	144.5	75%	0.749	78%	0.781	S	S	*	*			trans	78.4	110.2	134.8	-59.8	167.4	0	0	0	118.8
192	G	22.9	Very low	27.7	Very low	61 Å²	61	144.3 Å²	144.3	63%	0.629	78%	0.783	S	S	*	*			trans	-74.1	-165.5	158.7	0	0	0	0	0	113
193	P	38.3	Very low	28.3	Very low	118 Å²	118	144.8 Å²	144.8	77%	0.766	78%	0.783	S	S	*	*			cis	-140.7	159.3	48.1	23.9	1.3	0	0	0	116.9
194	T	24.3	Very low	28.9	Very low	123 Å²	123	145.6 Å²	145.6	76%	0.755	78%	0.784	S	S	*	*			trans	41.7	124.9	131.1	-33	0	0	0	0	120
195	T	24.8	Very low	29.4	Very low	127 Å²	127	139.9 Å²	139.9	78%	0.779	78%	0.778	S	S	*	*				170.3	143.9	94.5	-50.6	0	0	0	0	112
196	T	25.6	Very low	30.5	Very low	116 Å²	116	140.4 Å²	140.4	71%	0.712	79%	0.786	S	S	*	*			trans	-53	155.6	175.2	-36	0	0	0	0	117.4
197	Q	25.6	Very low	31.2	Very low	178 Å²	178	139.5 Å²	139.5	83%	0.832	79%	0.787	S	S	*	*			trans	125.5	121.9	136.4	-67	-170.7	8.5	0	0	118.1
198	T	29.1	Very low	32.1	Very low	129 Å²	129	135.3 Å²	135.3	79%	0.791	78%	0.781	S	S	*	*			trans	-12.1	129.4	146	-45.6	0	0	0	0	118.2
199	E	27.8	Very low	33	Very low	183 Å²	183	130.8 Å²	130.8	86%	0.855	76%	0.764	S	S	*	*				-173.3	157.9	115.3	-114.3	-171.9	156.6	0	0	113
200	L	34.9	Very low	34.4	Very low	162 Å²	162	126.2 Å²	126.2	85%	0.848	76%	0.756	S	S	*	*			trans	-60.6	143.3	-175.2	-77.6	89.3	0	0	0	114.1
201	A	29.2	Very low	35.8	Very low	103 Å²	103	124.4 Å²	124.4	85%	0.851	75%	0.751	S	S	*	*			trans	-154.9	134.7	134	0	0	0	0	0	110.1
202	E	37.9	Very low	37.1	Very low	182 Å²	182	124.7 Å²	124.7	85%	0.85	75%	0.747	S	S	*	*			trans	-75.4	131.4	179.6	-170	178.2	-158.9	0	0	110.5
203	E	34.8	Very low	39.2	Very low	194 Å²	194	127.5 Å²	127.5	91%	0.907	75%	0.747	S	S	*	*			trans	-146.3	128.2	147.9	-91.1	-139.9	148.1	0	0	111.1
204	T	38.6	Very low	40.6	Very low	129 Å²	129	127.4 Å²	127.4	79%	0.791	74%	0.739	S	S	*	*			trans	-66.7	141.3	177.9	45.8	0	0	0	0	113.2
205	G	33	Very low	43	Very low	68 Å²	68	126.6 Å²	126.6	70%	0.701	73%	0.729	S	S	*	*			trans	167.7	78.2	164	0	0	0	0	0	118.8
206	I	46.6	Very low	45.5	Very low	167 Å²	167	125.5 Å²	125.5	86%	0.856	72%	0.717	S	S	*	*			trans	44	96.9	137.4	-49.5	177.9	0	0	0	117.8
207	L	42.8	Very low	48.1	Very low	176 Å²	176	124.1 Å²	124.1	92%	0.921	71%	0.709	S	S	*	*			trans	-148.1	56.3	150.7	-157.7	74.4	0	0	0	111.4
208	G	43.9	Very low	50.7	Low	51 Å²	51	119.7 Å²	119.7	53%	0.526	69%	0.693	S	S	.	*			trans	-115.2	20.2	-177.1	0	0	0	0	0	115
209	G	48.3	Very low	53.3	Low	50 Å²	50	118.4 Å²	118.4	52%	0.515	68%	0.681	S	S	.	*	S	Bend	trans	-98.6	-40	-174.4	0	0	0	0	0	115	L213	G209-L213 PolarHBondContact O-N 3.25Å
210	G	54.7	Low	56	Low	52 Å²	52	114.1 Å²	114.1	54%	0.536	67%	0.668	S	S	.	*	H	α-helix	trans	-73.7	-40.6	-168.9	0	0	0	0	0	114.9	L214	G210-L214 PolarHBondContact O-N 3.15Å
211	T	57.3	Low	58.3	Low	97 Å²	97	108.7 Å²	108.7	60%	0.595	65%	0.646	S	S	*	*	H	α-helix	trans	-73.3	-35.4	-177.8	23.3	0	0	0	0	113	I215	T211-I215 WeakPolarHBondContact O-CD1 3.37Å; T211-I215 VanDerWaalsContact O-CG1 3.28Å; T211-I215 WeakPolarHBondContact O-CG1 3.47Å; T211-I215 PolarHBondContact O-N 3.35Å
212	K	59.6	Low	60.8	Low	152 Å²	152	108.5 Å²	108.5	66%	0.661	63%	0.63	S	S	*	*	H	α-helix	trans	-68.5	-37.5	175.2	-71.9	-168.7	176.3	-176	0	112.1	I215 I216	K212-I215 PolarHBondContact O-N 3.48Å; K212-I216 WeakPolarHBondContact O-CD1 3.04Å; K212-I216 VanDerWaalsContact O-CG1 3.28Å; K212-I216 WeakPolarHBondContact O-CG1 3.42Å; K212-I216 PolarHBondContact O-N 3.36Å; K212-I216 VanDerWaalsContact O-N 3.11Å
213	L	65.3	Low	63.1	Low	120 Å²	120	104.2 Å²	104.2	63%	0.628	62%	0.616	S	S	*	*	H	α-helix	trans	-67.1	-41.2	178.6	-138	119.3	0	0	0	111.5	G209 I215 I216 V217	G209-L213 PolarHBondContact O-N 3.25Å; L213-I215 PolarHBondContact O-N 2.86Å; L213-I216 PolarHBondContact O-N 3.18Å; L213-V217 VanDerWaalsContact O-CG2 3.31Å; L213-V217 WeakPolarHBondContact O-CG2 3.07Å; L213-V217 PolarHBondContact O-N 2.8Å
214	L	69.6	Low	65.3	Low	116 Å²	116	97.6 Å²	97.6	61%	0.607	60%	0.595	S	S	*	*	H	α-helix	trans	-61.5	-42.4	175	-80.2	166.6	0	0	0	112.5	G210 I216 V217 V218	G210-L214 PolarHBondContact O-N 3.15Å; L214-I216 VanDerWaalsContact C-N 3.34Å; L214-I216 PolarHBondContact O-N 3.39Å; L214-V217 PolarHBondContact O-N 3.44Å; L214-V218 WeakPolarHBondContact O-CG2 3.5Å; L214-V218 PolarHBondContact O-N 3.29Å
215	I	74	Confident	67.2	Low	106 Å²	106	96.6 Å²	96.6	54%	0.544	58%	0.583	S	S	.	*	H	α-helix	trans	-63.5	-41.3	177.6	-67.6	165.4	0	0	0	110.9	T211 K212 L213 V218 L219	T211-I215 WeakPolarHBondContact O-CD1 3.37Å; T211-I215 VanDerWaalsContact O-CG1 3.28Å; T211-I215 WeakPolarHBondContact O-CG1 3.47Å; T211-I215 PolarHBondContact O-N 3.35Å; K212-I215 PolarHBondContact O-N 3.48Å; L213-I215 PolarHBondContact O-N 2.86Å; I215-V218 PolarHBondContact O-N 3.45Å; I215-L219 HydrophobicContact CG2-CD1 4.17Å; I215-L219 WeakPolarHBondContact O-CB 3.45Å; I215-L219 PolarHBondContact O-N 2.66Å
216	I	76.4	Confident	69.5	Low	104 Å²	104	97 Å²	97	53%	0.533	57%	0.572	S	S	.	*	H	α-helix	trans	-64.6	-43.4	177.7	-67.7	165.4	0	0	0	110.7	K212 L213 L214 V218 L219 V220	K212-I216 WeakPolarHBondContact O-CD1 3.04Å; K212-I216 VanDerWaalsContact O-CG1 3.28Å; K212-I216 WeakPolarHBondContact O-CG1 3.42Å; K212-I216 PolarHBondContact O-N 3.36Å; K212-I216 VanDerWaalsContact O-N 3.11Å; L213-I216 PolarHBondContact O-N 3.18Å; L214-I216 VanDerWaalsContact C-N 3.34Å; L214-I216 PolarHBondContact O-N 3.39Å; I216-V218 PolarHBondContact O-N 3.41Å; I216-L219 PolarHBondContact O-N 2.87Å; I216-V220 HydrophobicContact CG2-CG2 4.36Å; I216-V220 VanDerWaalsContact O-CG2 3.29Å; I216-V220 WeakPolarHBondContact O-CG2 3.45Å; I216-V220 PolarHBondContact O-N 3.36Å
217	V	80.1	Confident	71.1	Confident	88 Å²	88	91 Å²	91	53%	0.533	55%	0.548	S	S	.	.	H	α-helix	trans	-62.5	-42.2	178.6	171.9	0	0	0	0	111.4	L213 L214 V220 A221	L213-V217 VanDerWaalsContact O-CG2 3.31Å; L213-V217 WeakPolarHBondContact O-CG2 3.07Å; L213-V217 PolarHBondContact O-N 2.8Å; L214-V217 PolarHBondContact O-N 3.44Å; V217-V220 PolarHBondContact O-N 2.94Å; V217-A221 WeakPolarHBondContact O-CB 3.5Å; V217-A221 PolarHBondContact O-N 3.29Å
218	V	80.6	Confident	72.9	Confident	84 Å²	84	87.9 Å²	87.9	51%	0.509	53%	0.528	S	S	.	.	H	α-helix	trans	-65.5	-40.8	176.9	173.2	0	0	0	0	111.4	L214 I215 I216 A221 L222	L214-V218 WeakPolarHBondContact O-CG2 3.5Å; L214-V218 PolarHBondContact O-N 3.29Å; I215-V218 PolarHBondContact O-N 3.45Å; I216-V218 PolarHBondContact O-N 3.41Å; V218-A221 PolarHBondContact O-N 2.79Å; V218-L222 HydrophobicContact CG1-CD1 4.08Å; V218-L222 WeakPolarHBondContact O-CB 3.48Å; V218-L222 WeakPolarHBondContact O-CG 3.41Å; V218-L222 PolarHBondContact O-N 3.14Å
219	L	84.4	Confident	74.6	Confident	102 Å²	102	93.4 Å²	93.4	53%	0.534	53%	0.534	S	S	.	.	H	α-helix	trans	-62.8	-43.7	175.4	-106.9	150.2	0	0	0	112	I215 I216 L222 V223	I215-L219 HydrophobicContact CG2-CD1 4.17Å; I215-L219 WeakPolarHBondContact O-CB 3.45Å; I215-L219 PolarHBondContact O-N 2.66Å; I216-L219 PolarHBondContact O-N 2.87Å; L219-L222 PolarHBondContact O-N 2.79Å; L219-V223 WeakPolarHBondContact O-CB 3.18Å; L219-V223 VanDerWaalsContact O-CG2 3.26Å; L219-V223 WeakPolarHBondContact O-CG2 3.42Å; L219-V223 PolarHBondContact O-N 3.43Å
220	V	85.2	Confident	75.9	Confident	94 Å²	94	99.5 Å²	99.5	57%	0.57	54%	0.543	S	S	*	.	H	α-helix	trans	-64.7	-40.7	176.6	172.8	0	0	0	0	111	I216 V217 V223 A224	I216-V220 HydrophobicContact CG2-CG2 4.36Å; I216-V220 VanDerWaalsContact O-CG2 3.29Å; I216-V220 WeakPolarHBondContact O-CG2 3.45Å; I216-V220 PolarHBondContact O-N 3.36Å; V217-V220 PolarHBondContact O-N 2.94Å; V220-V223 PolarHBondContact O-N 2.97Å; V220-A224 VanDerWaalsContact O-CB 3.3Å; V220-A224 WeakPolarHBondContact O-CB 3.31Å; V220-A224 PolarHBondContact O-N 2.95Å
221	A	82.7	Confident	76.6	Confident	47 Å²	47	103.5 Å²	103.5	39%	0.388	55%	0.551	S	S	.	*	H	α-helix	trans	-63.7	-42.9	175.7	0	0	0	0	0	112	V217 V218 A224 I225	V217-A221 WeakPolarHBondContact O-CB 3.5Å; V217-A221 PolarHBondContact O-N 3.29Å; V218-A221 PolarHBondContact O-N 2.79Å; A221-A224 PolarHBondContact O-N 3.21Å; A221-I225 WeakPolarHBondContact O-CD1 3.28Å; A221-I225 WeakPolarHBondContact O-CG1 3.49Å; A221-I225 PolarHBondContact O-N 3.23Å
222	L	81.9	Confident	76.6	Confident	99 Å²	99	105.3 Å²	105.3	52%	0.518	55%	0.553	S	S	.	*	H	α-helix	trans	-64	-43.3	175.7	-77.3	168.5	0	0	0	111.9	V218 L219 A224 I225 V226	V218-L222 HydrophobicContact CG1-CD1 4.08Å; V218-L222 WeakPolarHBondContact O-CB 3.48Å; V218-L222 WeakPolarHBondContact O-CG 3.41Å; V218-L222 PolarHBondContact O-N 3.14Å; L219-L222 PolarHBondContact O-N 2.79Å; L222-A224 VanDerWaalsContact C-N 3.32Å; L222-A224 PolarHBondContact O-N 3.42Å; L222-I225 PolarHBondContact O-N 3.31Å; L222-V226 WeakPolarHBondContact O-CB 3.23Å; L222-V226 VanDerWaalsContact O-CG2 3.26Å; L222-V226 WeakPolarHBondContact O-CG2 3.42Å; L222-V226 PolarHBondContact O-N 3.01Å
223	V	86.3	Confident	76	Confident	92 Å²	92	101.1 Å²	101.1	56%	0.558	54%	0.542	S	S	*	.	H	α-helix	trans	-63.6	-39.4	175.3	172.4	0	0	0	0	110.8	L219 V220 V226 A227	L219-V223 WeakPolarHBondContact O-CB 3.18Å; L219-V223 VanDerWaalsContact O-CG2 3.26Å; L219-V223 WeakPolarHBondContact O-CG2 3.42Å; L219-V223 PolarHBondContact O-N 3.43Å; V220-V223 PolarHBondContact O-N 2.97Å; V223-V226 PolarHBondContact O-N 2.96Å; V223-A227 WeakPolarHBondContact O-CB 3.46Å; V223-A227 PolarHBondContact O-N 2.91Å
224	A	79.8	Confident	75	Confident	56 Å²	56	104.1 Å²	104.1	46%	0.463	55%	0.55	S	S	.	*	H	α-helix	trans	-66.3	-39.2	176	0	0	0	0	0	112.3	V220 A221 L222 H228	V220-A224 VanDerWaalsContact O-CB 3.3Å; V220-A224 WeakPolarHBondContact O-CB 3.31Å; V220-A224 PolarHBondContact O-N 2.95Å; A221-A224 PolarHBondContact O-N 3.21Å; L222-A224 VanDerWaalsContact C-N 3.32Å; L222-A224 PolarHBondContact O-N 3.42Å; A224-H228 WeakPolarHBondContact O-CB 3.47Å; A224-H228 PolarHBondContact O-N 2.76Å
225	I	79.4	Confident	74.2	Confident	108 Å²	108	103.3 Å²	103.3	55%	0.554	56%	0.555	S	S	*	*	H	α-helix	trans	-66.8	-44.9	175.6	-68.9	162.5	0	0	0	110.5	A221 L222 H228 Y229	A221-I225 WeakPolarHBondContact O-CD1 3.28Å; A221-I225 WeakPolarHBondContact O-CG1 3.49Å; A221-I225 PolarHBondContact O-N 3.23Å; L222-I225 PolarHBondContact O-N 3.31Å; I225-H228 PolarHBondContact O-N 2.99Å; I225-Y229 WeakPolarHBondContact O-CB 3.42Å; I225-Y229 PolarHBondContact O-N 2.68Å
226	V	81.3	Confident	72.9	Confident	77 Å²	77	104 Å²	104	47%	0.467	57%	0.565	S	S	.	*	H	α-helix	trans	-65.1	-43.5	176.7	172.7	0	0	0	0	110.4	L222 V223 Y229 Y230	L222-V226 WeakPolarHBondContact O-CB 3.23Å; L222-V226 VanDerWaalsContact O-CG2 3.26Å; L222-V226 WeakPolarHBondContact O-CG2 3.42Å; L222-V226 PolarHBondContact O-N 3.01Å; V223-V226 PolarHBondContact O-N 2.96Å; V226-Y229 WeakPolarHBondContact O-CB 3.39Å; V226-Y229 PolarHBondContact O-N 3.08Å; V226-Y230 HydrophobicContact CG1-CD2 3.7Å; V226-Y230 HydrophobicContact CG1-CE2 3.88Å; V226-Y230 WeakPolarHBondContact O-CB 3.17Å; V226-Y230 WeakPolarHBondContact O-CD2 3.49Å; V226-Y230 PolarHBondContact O-N 2.84Å
227	A	80.2	Confident	71.4	Confident	41 Å²	41	103.6 Å²	103.6	34%	0.339	57%	0.57	S	S	.	*	H	α-helix	trans	-63.8	-42.7	175.7	0	0	0	0	0	111.4	V223 Y229 Y230 L231	V223-A227 WeakPolarHBondContact O-CB 3.46Å; V223-A227 PolarHBondContact O-N 2.91Å; A227-Y229 VanDerWaalsContact C-N 3.32Å; A227-Y229 PolarHBondContact O-N 3.2Å; A227-Y230 PolarHBondContact O-N 3Å; A227-L231 HydrophobicContact CB-CD1 4.47Å; A227-L231 WeakPolarHBondContact O-CB 3.46Å; A227-L231 WeakPolarHBondContact O-CD1 3.33Å; A227-L231 WeakPolarHBondContact O-CG 3.15Å; A227-L231 PolarHBondContact O-N 2.93Å
228	H	79.4	Confident	70	Confident	109 Å²	109	105.3 Å²	105.3	51%	0.505	57%	0.572	S	S	.	*	H	α-helix	trans	-60.6	-44.1	174.4	-177.2	73.1	0	0	0	110.8	A224 I225 L231 H232	A224-H228 WeakPolarHBondContact O-CB 3.47Å; A224-H228 PolarHBondContact O-N 2.76Å; I225-H228 PolarHBondContact O-N 2.99Å; H228-L231 PolarHBondContact O-N 3.34Å; H228-H232 AromaticContact CE1-CD2 3.72Å; H228-H232 AromaticContact CE1-CE1 3.24Å; H228-H232 PolarHBondContact CE1-CE1 3.33Å; H228-H232 AromaticContact CE1-CG 3.69Å; H228-H232 AromaticContact CE1-ND1 3.37Å; H228-H232 PolarHBondContact CE1-ND1 3.35Å; H228-H232 AromaticContact CE1-NE2 3.46Å; H228-H232 PolarHBondContact CE1-NE2 3.17Å; H228-H232 AromaticContact ND1-CE1 3.49Å; H228-H232 PolarHBondContact ND1-CE1 3.34Å; H228-H232 AromaticContact ND1-ND1 3.4Å; H228-H232 PolarHBondContact ND1-ND1 2.94Å; H228-H232 VanDerWaalsContact O-CB 3.24Å; H228-H232 WeakPolarHBondContact O-CB 3.35Å; H228-H232 PolarHBondContact O-N 3.08Å; H228-H232 PolarHBondContact O-ND1 3.02Å
229	Y	80.8	Confident	68.7	Low	167 Å²	167	109.1 Å²	109.1	66%	0.655	58%	0.582	S	S	*	*	H	α-helix	trans	-60.5	-50.6	174.8	-161	-95.8	0	0	0	110.8	I225 V226 A227 L231 H232 S233	I225-Y229 WeakPolarHBondContact O-CB 3.42Å; I225-Y229 PolarHBondContact O-N 2.68Å; V226-Y229 WeakPolarHBondContact O-CB 3.39Å; V226-Y229 PolarHBondContact O-N 3.08Å; A227-Y229 VanDerWaalsContact C-N 3.32Å; A227-Y229 PolarHBondContact O-N 3.2Å; Y229-L231 PolarHBondContact O-N 3.39Å; Y229-H232 PolarHBondContact O-N 3.28Å; Y229-S233 WeakPolarHBondContact O-CA 3.48Å; Y229-S233 WeakPolarHBondContact O-CB 3.48Å; Y229-S233 PolarHBondContact O-N 3.1Å; Y229-S233 PolarHBondContact O-OG 3.42Å
230	Y	75	Confident	67.5	Low	179 Å²	179	108.4 Å²	108.4	70%	0.702	58%	0.582	S	S	*	*	H	α-helix	trans	-66.4	-33.9	179.3	-91.2	-86.2	0	0	0	113.9	V226 A227	V226-Y230 HydrophobicContact CG1-CD2 3.7Å; V226-Y230 HydrophobicContact CG1-CE2 3.88Å; V226-Y230 WeakPolarHBondContact O-CB 3.17Å; V226-Y230 WeakPolarHBondContact O-CD2 3.49Å; V226-Y230 PolarHBondContact O-N 2.84Å; A227-Y230 PolarHBondContact O-N 3Å
231	L	69.4	Low	66.4	Low	135 Å²	135	105.4 Å²	105.4	71%	0.707	56%	0.562	S	S	*	*	H	α-helix	trans	-78.1	-34.5	178.5	-70.1	167	0	0	0	111.9	A227 H228 Y229	A227-L231 HydrophobicContact CB-CD1 4.47Å; A227-L231 WeakPolarHBondContact O-CB 3.46Å; A227-L231 WeakPolarHBondContact O-CD1 3.33Å; A227-L231 WeakPolarHBondContact O-CG 3.15Å; A227-L231 PolarHBondContact O-N 2.93Å; H228-L231 PolarHBondContact O-N 3.34Å; Y229-L231 PolarHBondContact O-N 3.39Å
232	H	57.7	Low	65.9	Low	136 Å²	136	109.5 Å²	109.5	63%	0.63	57%	0.568	S	S	*	*	H	α-helix	trans	-87.5	-15.4	175.4	-78.1	57.1	0	0	0	113.6	H228 Y229 K234	H228-H232 AromaticContact CE1-CD2 3.72Å; H228-H232 AromaticContact CE1-CE1 3.24Å; H228-H232 PolarHBondContact CE1-CE1 3.33Å; H228-H232 AromaticContact CE1-CG 3.69Å; H228-H232 AromaticContact CE1-ND1 3.37Å; H228-H232 PolarHBondContact CE1-ND1 3.35Å; H228-H232 AromaticContact CE1-NE2 3.46Å; H228-H232 PolarHBondContact CE1-NE2 3.17Å; H228-H232 AromaticContact ND1-CE1 3.49Å; H228-H232 PolarHBondContact ND1-CE1 3.34Å; H228-H232 AromaticContact ND1-ND1 3.4Å; H228-H232 PolarHBondContact ND1-ND1 2.94Å; H228-H232 VanDerWaalsContact O-CB 3.24Å; H228-H232 WeakPolarHBondContact O-CB 3.35Å; H228-H232 PolarHBondContact O-N 3.08Å; H228-H232 PolarHBondContact O-ND1 3.02Å; Y229-H232 PolarHBondContact O-N 3.28Å; H232-K234 PolarHBondContact O-N 3.17Å
233	S	47.1	Very low	66.1	Low	64 Å²	64	111 Å²	111	45%	0.448	57%	0.572	S	S	.	*	S	Bend	trans	-74.7	-1.2	175.7	-65.1	0	0	0	0	113.9	Y229 S235	Y229-S233 WeakPolarHBondContact O-CA 3.48Å; Y229-S233 WeakPolarHBondContact O-CB 3.48Å; Y229-S233 PolarHBondContact O-N 3.1Å; Y229-S233 PolarHBondContact O-OG 3.42Å; S233-S235 PolarHBondContact O-N 2.88Å
234	K	43.7	Very low	66.4	Low	182 Å²	182	108.8 Å²	108.8	79%	0.791	56%	0.556	S	S	*	*			trans	-93.3	70.6	177.7	-124.5	174.8	-172.6	172.9	0	110.1	H232	H232-K234 PolarHBondContact O-N 3.17Å
235	S	53.4	Low	67.1	Low	100 Å²	100	106.2 Å²	106.2	70%	0.699	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-58.7	131.3	154.7	26.2	0	0	0	0	108	S233	S233-S235 PolarHBondContact O-N 2.88Å
236	P	46	Very low	67.9	Low	119 Å²	119	106.1 Å²	106.1	77%	0.773	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-58.2	144.2	178.8	-18.2	29	0	0	0	109.8
237	P	46	Very low	68.6	Low	96 Å²	96	104.7 Å²	104.7	62%	0.623	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-64.5	149	179.7	28	-32.2	0	0	0	110	K239	P237-K239 PolarHBondContact O-N 2.69Å
238	Q	49.4	Very low	69.5	Low	124 Å²	124	102.8 Å²	102.8	58%	0.579	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.3	10	175.1	-135.1	172	10.7	0	0	117.7	T240 D241	Q238-T240 VanDerWaalsContact C-N 3.3Å; Q238-T240 PolarHBondContact O-N 2.84Å; Q238-D241 PolarHBondContact O-N 3.01Å
239	K	53.2	Low	70.3	Confident	165 Å²	165	100 Å²	100	72%	0.717	50%	0.499	S	S	*	.	H	α-helix	trans	-59.7	-32.6	-176.3	-83.9	-174	172.6	-177	0	113.8	P237 Q243	P237-K239 PolarHBondContact O-N 2.69Å; K239-Q243 PolarHBondContact O-N 3.09Å
240	T	60.6	Low	71.2	Confident	87 Å²	87	98.9 Å²	98.9	53%	0.534	50%	0.498	S	S	.	.	H	α-helix	trans	-66.4	-43.1	-179.7	49.9	0	0	0	0	111.6	Q238 W242 Q243 Q244	Q238-T240 VanDerWaalsContact C-N 3.3Å; Q238-T240 PolarHBondContact O-N 2.84Å; T240-W242 PolarHBondContact O-N 3.3Å; T240-Q243 WeakPolarHBondContact O-CB 3.45Å; T240-Q243 PolarHBondContact O-N 2.97Å; T240-Q244 WeakPolarHBondContact O-CG 3.38Å; T240-Q244 PolarHBondContact O-N 3.24Å
241	D	61.1	Low	72.3	Confident	30 Å²	30	92.6 Å²	92.6	16%	0.16	48%	0.475	C	S	.	.	H	α-helix	trans	-67.6	-40	-175.2	-65.4	0.5	0	0	0	111.1	Q238 Q243 Q244 V245	Q238-D241 PolarHBondContact O-N 3.01Å; D241-Q243 VanDerWaalsContact C-N 3.33Å; D241-Q243 PolarHBondContact O-N 3.45Å; D241-Q244 PolarHBondContact O-N 3.17Å; D241-V245 WeakPolarHBondContact O-CG2 3.48Å; D241-V245 PolarHBondContact O-N 3.5Å
242	W	71.3	Confident	73.6	Confident	133 Å²	133	86.2 Å²	86.2	50%	0.504	44%	0.441	S	S	.	.	H	α-helix	trans	-63	-39.4	173.8	-66.8	110.5	0	0	0	112.2	T240 V245 D246 Q279	T240-W242 PolarHBondContact O-N 3.3Å; W242-V245 PolarHBondContact O-N 2.82Å; W242-D246 PolarHBondContact O-N 3.32Å; W242-Q279 VanDerWaalsContact CZ3-NE2 3.26Å
243	Q	87.4	Confident	75.6	Confident	131 Å²	131	87.2 Å²	87.2	61%	0.612	44%	0.444	S	S	*	.	H	α-helix	trans	-66.3	-38.5	175.8	-172.5	178.1	-9.4	0	0	112.3	K239 T240 D241 D246 V247	K239-Q243 PolarHBondContact O-N 3.09Å; T240-Q243 WeakPolarHBondContact O-CB 3.45Å; T240-Q243 PolarHBondContact O-N 2.97Å; D241-Q243 VanDerWaalsContact C-N 3.33Å; D241-Q243 PolarHBondContact O-N 3.45Å; Q243-D246 PolarHBondContact O-N 2.92Å; Q243-V247 VanDerWaalsContact O-CG2 3.3Å; Q243-V247 WeakPolarHBondContact O-CG2 3.09Å; Q243-V247 PolarHBondContact O-N 3.13Å
244	Q	92.1	Very high	78	Confident	45 Å²	45	88.7 Å²	88.7	21%	0.21	44%	0.442	C	S	.	.	H	α-helix	trans	-63.9	-42.8	176	-67	-175.2	-17.2	0	0	111.4	T240 D241 V247 F248 A315	T240-Q244 WeakPolarHBondContact O-CG 3.38Å; T240-Q244 PolarHBondContact O-N 3.24Å; D241-Q244 PolarHBondContact O-N 3.17Å; Q244-V247 PolarHBondContact O-N 3.45Å; Q244-F248 WeakPolarHBondContact O-CB 3.32Å; Q244-F248 PolarHBondContact O-N 3.4Å; Q244-A315 VanDerWaalsContact CG-O 3.23Å; Q244-A315 WeakPolarHBondContact CG-O 3.39Å; Q244-A315 VanDerWaalsContact O-CB 3.27Å; Q244-A315 WeakPolarHBondContact O-CB 3.42Å
245	V	94.8	Very high	80.6	Confident	3 Å²	3	80.4 Å²	80.4	2%	0.018	41%	0.407	C	S	.	.	H	α-helix	trans	-61.8	-44.6	176.5	171.4	0	0	0	0	111.5	D241 W242 V247 F248 L249 K275 L278 Q279	D241-V245 WeakPolarHBondContact O-CG2 3.48Å; D241-V245 PolarHBondContact O-N 3.5Å; W242-V245 PolarHBondContact O-N 2.82Å; V245-V247 VanDerWaalsContact C-N 3.33Å; V245-V247 PolarHBondContact O-N 3.45Å; V245-F248 WeakPolarHBondContact O-CB 3.43Å; V245-F248 PolarHBondContact O-N 2.85Å; V245-L249 HydrophobicContact CG1-CD1 3.92Å; V245-L249 HydrophobicContact CG1-CG 4.29Å; V245-L249 WeakPolarHBondContact O-CG 3.4Å; V245-L249 PolarHBondContact O-N 3.49Å; V245-K275 HydrophobicContact CG1-CD 4.09Å; V245-K275 HydrophobicContact CG1-CG 3.86Å; V245-K275 HydrophobicContact CG2-CG 4.4Å; V245-L278 HydrophobicContact CG2-CB 4.1Å; V245-Q279 HydrophobicContact CG2-CG 3.52Å
246	D	95.5	Very high	82.7	Confident	105 Å²	105	79.4 Å²	79.4	56%	0.561	39%	0.39	S	S	*	.	H	α-helix	trans	-63.9	-39.7	178.9	-70.6	-22.2	0	0	0	112	W242 Q243 K250	W242-D246 PolarHBondContact O-N 3.32Å; Q243-D246 PolarHBondContact O-N 2.92Å; D246-K250 VanDerWaalsContact O-CB 3.3Å; D246-K250 WeakPolarHBondContact O-CB 3.31Å; D246-K250 PolarHBondContact O-N 2.9Å
247	V	97	Very high	85.2	Confident	48 Å²	48	77.6 Å²	77.6	29%	0.291	39%	0.385	S	S	.	.	H	α-helix	trans	-61.9	-48.3	173.3	172.5	0	0	0	0	110.3	Q243 Q244 V245 K250 Q251 T314 A315	Q243-V247 VanDerWaalsContact O-CG2 3.3Å; Q243-V247 WeakPolarHBondContact O-CG2 3.09Å; Q243-V247 PolarHBondContact O-N 3.13Å; Q244-V247 PolarHBondContact O-N 3.45Å; V245-V247 VanDerWaalsContact C-N 3.33Å; V245-V247 PolarHBondContact O-N 3.45Å; V247-K250 PolarHBondContact O-N 2.89Å; V247-Q251 HydrophobicContact CG1-CG 4.42Å; V247-Q251 WeakPolarHBondContact O-CG 3.35Å; V247-Q251 PolarHBondContact O-N 2.85Å; V247-T314 HydrophobicContact CG1-CG2 4.02Å; V247-A315 HydrophobicContact CB-CB 4.42Å; V247-A315 HydrophobicContact CG1-CB 4.29Å
248	F	97.8	Very high	87.7	Confident	0 Å²	0	81.4 Å²	81.4	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-56.4	-52.7	178.2	168.2	-111.3	0	0	0	111.8	Q244 V245 K250 Q251 M252 E271 L274 K275 L278 A311 F312 A315	Q244-F248 WeakPolarHBondContact O-CB 3.32Å; Q244-F248 PolarHBondContact O-N 3.4Å; V245-F248 WeakPolarHBondContact O-CB 3.43Å; V245-F248 PolarHBondContact O-N 2.85Å; F248-K250 VanDerWaalsContact C-N 3.3Å; F248-K250 PolarHBondContact O-N 2.94Å; F248-Q251 PolarHBondContact O-N 3.49Å; F248-Q251 VanDerWaalsContact O-N 3.09Å; F248-M252 HydrophobicContact CD2-CG 4Å; F248-M252 HydrophobicContact CE1-CG 4.11Å; F248-M252 HydrophobicContact CE2-CG 3.37Å; F248-M252 HydrophobicContact CE2-SD 4.08Å; F248-M252 HydrophobicContact CZ-CG 3.43Å; F248-M252 VanDerWaalsContact CZ-CG 3.43Å; F248-M252 HydrophobicContact CZ-SD 4.3Å; F248-M252 PolarHBondContact O-N 3.49Å; F248-E271 HydrophobicContact CE1-CG 4.48Å; F248-L274 HydrophobicContact CE1-CB 3.93Å; F248-L274 HydrophobicContact CE2-CB 4.04Å; F248-L274 HydrophobicContact CE2-CD1 3.86Å; F248-L274 HydrophobicContact CZ-CB 3.44Å; F248-L274 VanDerWaalsContact CZ-CB 3.44Å; F248-L274 HydrophobicContact CZ-CD1 3.71Å; F248-L274 HydrophobicContact CZ-CG 4.22Å; F248-K275 HydrophobicContact CE1-CB 4.48Å; F248-L278 HydrophobicContact CB-CD1 3.54Å; F248-L278 HydrophobicContact CD1-CD1 3.91Å; F248-L278 HydrophobicContact CD2-CD1 4.24Å; F248-L278 HydrophobicContact CG-CD1 3.62Å; F248-A311 HydrophobicContact CD2-CB 4.34Å; F248-A311 HydrophobicContact CE2-CB 4.39Å; F248-F312 HydrophobicContact CD2-CB 4.41Å; F248-F312 HydrophobicContact CD2-CD2 4.49Å; F248-F312 HydrophobicContact CE2-CB 4.41Å; F248-F312 HydrophobicContact CE2-CD2 4.41Å; F248-A315 HydrophobicContact CB-CB 3.72Å
249	L	97.8	Very high	90	Very high	52 Å²	52	75.9 Å²	75.9	27%	0.272	36%	0.361	S	S	.	.	H	α-helix	trans	-62.2	-38.4	-179.2	-66.7	175.8	0	0	0	111.8	V245 M252 K253 E271	V245-L249 HydrophobicContact CG1-CD1 3.92Å; V245-L249 HydrophobicContact CG1-CG 4.29Å; V245-L249 WeakPolarHBondContact O-CG 3.4Å; V245-L249 PolarHBondContact O-N 3.49Å; L249-M252 PolarHBondContact O-N 2.96Å; L249-K253 WeakPolarHBondContact O-CB 3.4Å; L249-K253 PolarHBondContact O-N 2.93Å; L249-E271 HydrophobicContact CD2-CG 4.26Å
250	K	98	Very high	92.1	Very high	143 Å²	143	72.6 Å²	72.6	62%	0.622	36%	0.357	S	S	*	.	H	α-helix	trans	-63.7	-40.2	174.4	-176.9	177.5	179.6	179.3	0	112	D246 V247 F248 K254	D246-K250 VanDerWaalsContact O-CB 3.3Å; D246-K250 WeakPolarHBondContact O-CB 3.31Å; D246-K250 PolarHBondContact O-N 2.9Å; V247-K250 PolarHBondContact O-N 2.89Å; F248-K250 VanDerWaalsContact C-N 3.3Å; F248-K250 PolarHBondContact O-N 2.94Å; K250-K254 PolarHBondContact O-N 3.19Å
251	Q	98.3	Very high	93.9	Very high	47 Å²	47	72.9 Å²	72.9	22%	0.22	36%	0.355	C	S	.	.	H	α-helix	trans	-71.1	-43.7	176.4	-63.2	-59.4	-9.7	0	0	111.5	V247 F248 K253 K254 V255 A311 T314	V247-Q251 HydrophobicContact CG1-CG 4.42Å; V247-Q251 WeakPolarHBondContact O-CG 3.35Å; V247-Q251 PolarHBondContact O-N 2.85Å; F248-Q251 PolarHBondContact O-N 3.49Å; F248-Q251 VanDerWaalsContact O-N 3.09Å; Q251-K253 VanDerWaalsContact C-N 3.26Å; Q251-K253 PolarHBondContact O-N 3.31Å; Q251-K254 WeakPolarHBondContact O-CA 3.26Å; Q251-K254 WeakPolarHBondContact O-CB 3.42Å; Q251-K254 PolarHBondContact O-N 3.09Å; Q251-V255 WeakPolarHBondContact O-CG2 3.26Å; Q251-V255 PolarHBondContact O-N 3.24Å; Q251-A311 HydrophobicContact CB-CB 3.61Å; Q251-T314 HydrophobicContact CG-CG2 4.02Å
252	M	98.2	Very high	95.6	Very high	0 Å²	0	72 Å²	72	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-57.4	-38.4	175.1	-82.8	-56	-61.9	0	0	112.4	F248 L249 K254 V255 K256 W267 E271 V308 A311	F248-M252 HydrophobicContact CD2-CG 4Å; F248-M252 HydrophobicContact CE1-CG 4.11Å; F248-M252 HydrophobicContact CE2-CG 3.37Å; F248-M252 HydrophobicContact CE2-SD 4.08Å; F248-M252 HydrophobicContact CZ-CG 3.43Å; F248-M252 VanDerWaalsContact CZ-CG 3.43Å; F248-M252 HydrophobicContact CZ-SD 4.3Å; F248-M252 PolarHBondContact O-N 3.49Å; L249-M252 PolarHBondContact O-N 2.96Å; M252-K254 VanDerWaalsContact C-N 3.29Å; M252-K254 PolarHBondContact O-N 3.18Å; M252-V255 CarbonylContact O-C 3.59Å; M252-V255 WeakPolarHBondContact O-CB 3.42Å; M252-V255 PolarHBondContact O-N 3.01Å; M252-V255 VanDerWaalsContact O-N 3.14Å; M252-K256 PolarHBondContact O-N 2.95Å; M252-W267 HydrophobicContact CE-CE3 3.7Å; M252-W267 HydrophobicContact CE-CZ3 3.87Å; M252-E271 HydrophobicContact CB-CG 4.39Å; M252-E271 HydrophobicContact CG-CG 4.4Å; M252-V308 HydrophobicContact CE-CG2 4.2Å; M252-V308 HydrophobicContact SD-CB 4.48Å; M252-V308 HydrophobicContact SD-CG1 4.35Å; M252-V308 HydrophobicContact SD-CG2 4.2Å; M252-A311 HydrophobicContact CG-CB 4.03Å; M252-A311 HydrophobicContact SD-CB 3.83Å
253	K	98.3	Very high	96.8	Very high	158 Å²	158	67.7 Å²	67.7	69%	0.687	33%	0.333	S	S	*	.	H	α-helix	trans	-59.8	-37.9	172.8	-174	173.4	-179	174.5	0	113	L249 Q251 A257	L249-K253 WeakPolarHBondContact O-CB 3.4Å; L249-K253 PolarHBondContact O-N 2.93Å; Q251-K253 VanDerWaalsContact C-N 3.26Å; Q251-K253 PolarHBondContact O-N 3.31Å; K253-A257 PolarHBondContact O-N 3.31Å; K253-A257 VanDerWaalsContact O-N 3.12Å
254	K	98.1	Very high	97.3	Very high	94 Å²	94	66.5 Å²	66.5	41%	0.409	33%	0.332	S	S	.	.	H	α-helix	trans	-69.7	-38.3	174.8	-63.1	179.6	-166.3	163.3	0	111.7	K250 Q251 M252 A257 R258	K250-K254 PolarHBondContact O-N 3.19Å; Q251-K254 WeakPolarHBondContact O-CA 3.26Å; Q251-K254 WeakPolarHBondContact O-CB 3.42Å; Q251-K254 PolarHBondContact O-N 3.09Å; M252-K254 VanDerWaalsContact C-N 3.29Å; M252-K254 PolarHBondContact O-N 3.18Å; K254-A257 PolarHBondContact O-N 3.46Å; K254-R258 WeakPolarHBondContact O-CG 3.36Å; K254-R258 PolarHBondContact O-N 2.82Å
255	V	98.3	Very high	97.5	Very high	9 Å²	9	68.4 Å²	68.4	6%	0.055	34%	0.34	C	S	.	.	H	α-helix	trans	-61.3	-54.6	173.9	-179.2	0	0	0	0	108.6	Q251 M252 A257 R258 F259 W267 L304 G307 V308 A311	Q251-V255 WeakPolarHBondContact O-CG2 3.26Å; Q251-V255 PolarHBondContact O-N 3.24Å; M252-V255 CarbonylContact O-C 3.59Å; M252-V255 WeakPolarHBondContact O-CB 3.42Å; M252-V255 PolarHBondContact O-N 3.01Å; M252-V255 VanDerWaalsContact O-N 3.14Å; V255-A257 PolarHBondContact O-N 2.91Å; V255-A257 VanDerWaalsContact O-N 3.12Å; V255-R258 WeakPolarHBondContact O-CA 3.44Å; V255-R258 WeakPolarHBondContact O-CB 3.49Å; V255-R258 PolarHBondContact O-N 2.84Å; V255-F259 HydrophobicContact CG1-CD2 4Å; V255-F259 HydrophobicContact CG1-CE2 3.97Å; V255-F259 VanDerWaalsContact O-CD2 3.28Å; V255-F259 WeakPolarHBondContact O-CD2 3.43Å; V255-F259 PolarHBondContact O-N 3.09Å; V255-W267 HydrophobicContact CG1-CH2 4.18Å; V255-W267 HydrophobicContact CG1-CZ3 3.97Å; V255-L304 HydrophobicContact CG1-CD1 3.87Å; V255-G307 WeakPolarHBondContact CG2-O 3.37Å; V255-V308 HydrophobicContact CG1-CG2 4.48Å; V255-A311 HydrophobicContact CG2-CB 4.29Å
256	K	98.5	Very high	97.7	Very high	79 Å²	79	68.4 Å²	68.4	34%	0.343	34%	0.34	S	S	.	.	H	α-helix	trans	-50	-42.4	177.2	-178.3	167	-172	167.7	0	113.2	M252 R258 F259 D264 W267	M252-K256 PolarHBondContact O-N 2.95Å; K256-R258 PolarHBondContact O-N 2.87Å; K256-F259 CarbonylContact O-C 3.52Å; K256-F259 PolarHBondContact O-N 3.36Å; K256-D264 IonicContact NZ-OD1 3.03Å; K256-D264 PolarHBondContact NZ-OD1 3.12Å; K256-W267 HydrophobicContact CB-CD2 3.89Å; K256-W267 HydrophobicContact CB-CE3 3.91Å; K256-W267 HydrophobicContact CB-CH2 4.19Å; K256-W267 HydrophobicContact CB-CZ2 4.14Å; K256-W267 HydrophobicContact CB-CZ3 4.07Å; K256-W267 HydrophobicContact CD-CB 4.16Å; K256-W267 HydrophobicContact CD-CD2 3.88Å; K256-W267 HydrophobicContact CD-CG 3.6Å; K256-W267 HydrophobicContact CG-CD2 3.77Å; K256-W267 HydrophobicContact CG-CE3 4.33Å; K256-W267 HydrophobicContact CG-CG 4.04Å; K256-W267 HydrophobicContact CG-CZ2 4.08Å
257	A	97.9	Very high	97.8	Very high	81 Å²	81	63.6 Å²	63.6	67%	0.669	31%	0.314	S	S	*	.	H	α-helix	trans	-64.7	-20.8	178.4	0	0	0	0	0	114.6	K253 K254 V255	K253-A257 PolarHBondContact O-N 3.31Å; K253-A257 VanDerWaalsContact O-N 3.12Å; K254-A257 PolarHBondContact O-N 3.46Å; V255-A257 PolarHBondContact O-N 2.91Å; V255-A257 VanDerWaalsContact O-N 3.12Å
258	R	97.6	Very high	97.8	Very high	175 Å²	175	63.7 Å²	63.7	66%	0.66	32%	0.317	S	S	*	.	H	α-helix	trans	-88.2	-16	177.2	-65.9	174.8	-174.1	178.7	-1.4	113.5	K254 V255 K256 P260	K254-R258 WeakPolarHBondContact O-CG 3.36Å; K254-R258 PolarHBondContact O-N 2.82Å; V255-R258 WeakPolarHBondContact O-CA 3.44Å; V255-R258 WeakPolarHBondContact O-CB 3.49Å; V255-R258 PolarHBondContact O-N 2.84Å; K256-R258 PolarHBondContact O-N 2.87Å; R258-P260 VanDerWaalsContact C-CD 3.49Å; R258-P260 WeakPolarHBondContact O-CD 3.44Å
259	F	98.4	Very high	97.8	Very high	8 Å²	8	68.7 Å²	68.7	4%	0.035	34%	0.336	C	S	.	.			trans	-126.4	71.3	-177	-58.8	-96.4	0	0	0	110.1	V255 K256 N261 Q262 W267 T300 C303 L304 E454 I457	V255-F259 HydrophobicContact CG1-CD2 4Å; V255-F259 HydrophobicContact CG1-CE2 3.97Å; V255-F259 VanDerWaalsContact O-CD2 3.28Å; V255-F259 WeakPolarHBondContact O-CD2 3.43Å; V255-F259 PolarHBondContact O-N 3.09Å; K256-F259 CarbonylContact O-C 3.52Å; K256-F259 PolarHBondContact O-N 3.36Å; F259-N261 VanDerWaalsContact C-N 3.35Å; F259-N261 PolarHBondContact O-N 3.41Å; F259-Q262 HydrophobicContact CB-CG 3.58Å; F259-Q262 WeakPolarHBondContact O-CG 3.36Å; F259-W267 HydrophobicContact CB-CH2 3.96Å; F259-W267 HydrophobicContact CB-CZ2 3.89Å; F259-W267 HydrophobicContact CD2-CH2 4.35Å; F259-W267 HydrophobicContact CG-CH2 4.47Å; F259-T300 HydrophobicContact CD1-CG2 3.72Å; F259-T300 HydrophobicContact CE1-CG2 3.91Å; F259-C303 HydrophobicContact CE1-CB 4.06Å; F259-C303 HydrophobicContact CZ-CB 3.8Å; F259-L304 HydrophobicContact CD1-CB 4.12Å; F259-L304 HydrophobicContact CD1-CD1 4.22Å; F259-L304 HydrophobicContact CD2-CD1 3.77Å; F259-L304 HydrophobicContact CE1-CB 3.7Å; F259-L304 HydrophobicContact CE1-CD1 4.37Å; F259-L304 HydrophobicContact CE2-CB 4.47Å; F259-L304 HydrophobicContact CE2-CD1 3.96Å; F259-L304 HydrophobicContact CG-CD1 3.95Å; F259-L304 HydrophobicContact CZ-CB 3.93Å; F259-L304 HydrophobicContact CZ-CD1 4.27Å; F259-E454 WeakPolarHBondContact CA-OE1 3.47Å; F259-E454 HydrophobicContact CB-CG 4.28Å; F259-E454 HydrophobicContact CD1-CG 3.84Å; F259-E454 HydrophobicContact CG-CG 4.46Å; F259-I457 HydrophobicContact CD1-CD1 3.51Å; F259-I457 HydrophobicContact CE1-CD1 3.18Å; F259-I457 HydrophobicContact CE2-CD1 4.49Å; F259-I457 HydrophobicContact CG-CD1 4.29Å; F259-I457 HydrophobicContact CZ-CD1 3.72Å
260	P	97.3	Very high	97.8	Very high	97 Å²	97	66.3 Å²	66.3	63%	0.63	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-23.7	-173.6	27.8	-37.4	0	0	0	115.5	R258 Q262 E454	R258-P260 VanDerWaalsContact C-CD 3.49Å; R258-P260 WeakPolarHBondContact O-CD 3.44Å; P260-Q262 VanDerWaalsContact C-N 3.3Å; P260-Q262 PolarHBondContact O-N 2.95Å; P260-E454 VanDerWaalsContact CD-OE2 3.25Å; P260-E454 WeakPolarHBondContact CD-OE2 3.3Å; P260-E454 WeakPolarHBondContact CG-OE2 3.49Å; P260-E454 VanDerWaalsContact N-OE1 3.14Å
261	N	97.6	Very high	97.8	Very high	92 Å²	92	62 Å²	62	49%	0.492	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-1.1	-175.6	-66.1	-19.6	0	0	0	113.4	F259 A452 A453 E454	F259-N261 VanDerWaalsContact C-N 3.35Å; F259-N261 PolarHBondContact O-N 3.41Å; N261-A452 HydrophobicContact CB-CB 4.48Å; N261-A453 PolarHBondContact ND2-O 3.35Å; N261-A453 VanDerWaalsContact ND2-O 3.13Å; N261-E454 WeakPolarHBondContact CA-OE1 3.48Å; N261-E454 WeakPolarHBondContact CB-OE1 3.35Å; N261-E454 PolarHBondContact N-OE1 2.92Å; N261-E454 PolarHBondContact ND2-OE2 3.11Å
262	Q	98.3	Very high	97.7	Very high	12 Å²	12	62.2 Å²	62.2	6%	0.056	31%	0.307	C	S	.	.	S	Bend	trans	-77.9	148.4	-177.8	-49.1	-52	-50	0	0	112.3	F259 P260 L266 W267 L304 A452 E454	F259-Q262 HydrophobicContact CB-CG 3.58Å; F259-Q262 WeakPolarHBondContact O-CG 3.36Å; P260-Q262 VanDerWaalsContact C-N 3.3Å; P260-Q262 PolarHBondContact O-N 2.95Å; Q262-L266 HydrophobicContact CB-CD1 4.44Å; Q262-W267 HydrophobicContact CB-CZ2 3.63Å; Q262-W267 HydrophobicContact CG-CH2 4.42Å; Q262-W267 HydrophobicContact CG-CZ2 3.67Å; Q262-L304 HydrophobicContact CG-CD2 4.41Å; Q262-A452 PolarHBondContact NE2-O 2.91Å; Q262-E454 PolarHBondContact NE2-OE1 3.35Å
263	R	96.6	Very high	97.5	Very high	42 Å²	42	65.3 Å²	65.3	16%	0.158	32%	0.322	C	S	.	.			trans	-67.2	149.1	178	-50.8	-173.8	-162.8	-173.4	5.3	111.9	E265 L266 P400 A401 M403	R263-E265 WeakPolarHBondContact CB-OE2 3.45Å; R263-E265 PolarHBondContact O-N 2.9Å; R263-L266 WeakPolarHBondContact O-CB 3.43Å; R263-L266 PolarHBondContact O-N 2.96Å; R263-L266 VanDerWaalsContact O-N 3.08Å; R263-P400 PolarHBondContact NH2-O 3.5Å; R263-A401 VanDerWaalsContact CZ-C 3.49Å; R263-A401 PolarHBondContact NE-O 2.99Å; R263-A401 PolarHBondContact NH1-O 2.65Å; R263-A401 PolarHBondContact NH2-O 3.42Å; R263-M403 PolarHBondContact NH1-O 3.43Å
264	D	96.7	Very high	97.4	Very high	107 Å²	107	57.8 Å²	57.8	57%	0.572	29%	0.289	S	S	*	.	H	α-helix	trans	-65.2	-27.1	178.8	-82	-39.1	0	0	0	113.4	K256 L266 W267 S268	K256-D264 IonicContact NZ-OD1 3.03Å; K256-D264 PolarHBondContact NZ-OD1 3.12Å; D264-L266 VanDerWaalsContact C-N 3.25Å; D264-L266 PolarHBondContact O-N 3.22Å; D264-W267 PolarHBondContact O-N 3Å; D264-S268 WeakPolarHBondContact O-CB 3.29Å; D264-S268 PolarHBondContact O-N 3.38Å; D264-S268 PolarHBondContact O-OG 2.64Å
265	E	96.8	Very high	97.3	Very high	85 Å²	85	56 Å²	56	40%	0.397	28%	0.281	S	S	.	.	H	α-helix	trans	-62.2	-33	173.4	-64.1	93.6	148.7	0	0	112.4	R263 S268 R269 L405	R263-E265 WeakPolarHBondContact CB-OE2 3.45Å; R263-E265 PolarHBondContact O-N 2.9Å; E265-S268 WeakPolarHBondContact CA-OG 3.35Å; E265-R269 WeakPolarHBondContact O-CB 3.22Å; E265-R269 VanDerWaalsContact O-CG 3.31Å; E265-R269 WeakPolarHBondContact O-CG 3.45Å; E265-R269 PolarHBondContact O-N 3.08Å; E265-L405 HydrophobicContact CB-CD1 3.92Å; E265-L405 HydrophobicContact CG-CD1 4.11Å
266	L	98.1	Very high	97.1	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-60	-51.8	176.8	-174.4	149.5	0	0	0	109.8	Q262 R263 D264 S270 L291 L304 L449 V451	Q262-L266 HydrophobicContact CB-CD1 4.44Å; R263-L266 WeakPolarHBondContact O-CB 3.43Å; R263-L266 PolarHBondContact O-N 2.96Å; R263-L266 VanDerWaalsContact O-N 3.08Å; D264-L266 VanDerWaalsContact C-N 3.25Å; D264-L266 PolarHBondContact O-N 3.22Å; L266-S270 VanDerWaalsContact O-CB 3.25Å; L266-S270 WeakPolarHBondContact O-CB 3.18Å; L266-S270 PolarHBondContact O-N 3.44Å; L266-S270 VanDerWaalsContact O-N 3.12Å; L266-S270 PolarHBondContact O-OG 3.27Å; L266-L291 HydrophobicContact CD1-CD2 4.48Å; L266-L304 HydrophobicContact CD1-CD2 3.63Å; L266-L304 HydrophobicContact CD2-CD2 4.12Å; L266-L449 HydrophobicContact CD1-CB 4.43Å; L266-L449 HydrophobicContact CG-CB 4.36Å; L266-L449 HydrophobicContact CG-CD1 4.2Å; L266-V451 HydrophobicContact CD1-CG2 4.26Å
267	W	98.2	Very high	96.9	Very high	5 Å²	5	60.1 Å²	60.1	2%	0.019	29%	0.294	C	S	.	.	H	α-helix	trans	-66.9	-53.5	-178.4	-52.9	114.6	0	0	0	112	M252 V255 K256 F259 Q262 D264 R269 S270 E271 L304	M252-W267 HydrophobicContact CE-CE3 3.7Å; M252-W267 HydrophobicContact CE-CZ3 3.87Å; V255-W267 HydrophobicContact CG1-CH2 4.18Å; V255-W267 HydrophobicContact CG1-CZ3 3.97Å; K256-W267 HydrophobicContact CB-CD2 3.89Å; K256-W267 HydrophobicContact CB-CE3 3.91Å; K256-W267 HydrophobicContact CB-CH2 4.19Å; K256-W267 HydrophobicContact CB-CZ2 4.14Å; K256-W267 HydrophobicContact CB-CZ3 4.07Å; K256-W267 HydrophobicContact CD-CB 4.16Å; K256-W267 HydrophobicContact CD-CD2 3.88Å; K256-W267 HydrophobicContact CD-CG 3.6Å; K256-W267 HydrophobicContact CG-CD2 3.77Å; K256-W267 HydrophobicContact CG-CE3 4.33Å; K256-W267 HydrophobicContact CG-CG 4.04Å; K256-W267 HydrophobicContact CG-CZ2 4.08Å; F259-W267 HydrophobicContact CB-CH2 3.96Å; F259-W267 HydrophobicContact CB-CZ2 3.89Å; F259-W267 HydrophobicContact CD2-CH2 4.35Å; F259-W267 HydrophobicContact CG-CH2 4.47Å; Q262-W267 HydrophobicContact CB-CZ2 3.63Å; Q262-W267 HydrophobicContact CG-CH2 4.42Å; Q262-W267 HydrophobicContact CG-CZ2 3.67Å; D264-W267 PolarHBondContact O-N 3Å; W267-R269 PolarHBondContact O-N 3.32Å; W267-S270 PolarHBondContact O-N 3.27Å; W267-E271 WeakPolarHBondContact O-CB 3.23Å; W267-E271 VanDerWaalsContact O-CG 3.31Å; W267-E271 WeakPolarHBondContact O-CG 3.38Å; W267-E271 PolarHBondContact O-N 3.43Å; W267-L304 HydrophobicContact CH2-CD1 3.57Å; W267-L304 HydrophobicContact CZ3-CD1 3.95Å
268	S	97.6	Very high	96.7	Very high	49 Å²	49	56.3 Å²	56.3	34%	0.343	26%	0.262	S	S	.	.	H	α-helix	trans	-63.5	-41.2	-174.3	57.2	0	0	0	0	112.2	D264 E265 I272	D264-S268 WeakPolarHBondContact O-CB 3.29Å; D264-S268 PolarHBondContact O-N 3.38Å; D264-S268 PolarHBondContact O-OG 2.64Å; E265-S268 WeakPolarHBondContact CA-OG 3.35Å; S268-I272 VanDerWaalsContact O-CD1 3.31Å; S268-I272 WeakPolarHBondContact O-CD1 3.45Å; S268-I272 WeakPolarHBondContact O-CG1 3.3Å; S268-I272 PolarHBondContact O-N 2.95Å; S268-I272 VanDerWaalsContact O-N 3.08Å
269	R	97.8	Very high	96.5	Very high	106 Å²	106	51 Å²	51	40%	0.4	25%	0.245	S	C	.	.	H	α-helix	trans	-74.1	-43.6	179.5	-64.9	-172.3	170.9	-176	-0.3	112.4	E265 W267 E271 I272 H273 L447 L449	E265-R269 WeakPolarHBondContact O-CB 3.22Å; E265-R269 VanDerWaalsContact O-CG 3.31Å; E265-R269 WeakPolarHBondContact O-CG 3.45Å; E265-R269 PolarHBondContact O-N 3.08Å; W267-R269 PolarHBondContact O-N 3.32Å; R269-E271 VanDerWaalsContact C-N 3.32Å; R269-E271 PolarHBondContact O-N 3.38Å; R269-I272 PolarHBondContact O-N 2.92Å; R269-H273 PolarHBondContact O-CD2 3.41Å; R269-H273 PolarHBondContact O-N 2.98Å; R269-H273 VanDerWaalsContact O-N 3.11Å; R269-L447 HydrophobicContact CB-CD1 3.93Å; R269-L447 HydrophobicContact CB-CD2 3.92Å; R269-L449 HydrophobicContact CB-CD2 4.39Å
270	S	97.6	Very high	96.1	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.007	26%	0.26	C	S	.	.	H	α-helix	trans	-58.4	-45.3	174.5	-66.2	0	0	0	0	111.5	L266 W267 I272 H273 L274 L449	L266-S270 VanDerWaalsContact O-CB 3.25Å; L266-S270 WeakPolarHBondContact O-CB 3.18Å; L266-S270 PolarHBondContact O-N 3.44Å; L266-S270 VanDerWaalsContact O-N 3.12Å; L266-S270 PolarHBondContact O-OG 3.27Å; W267-S270 PolarHBondContact O-N 3.27Å; S270-I272 PolarHBondContact O-N 2.99Å; S270-H273 PolarHBondContact O-N 2.93Å; S270-L274 VanDerWaalsContact O-CB 3.28Å; S270-L274 WeakPolarHBondContact O-CB 3.36Å; S270-L274 VanDerWaalsContact O-CG 3.26Å; S270-L274 WeakPolarHBondContact O-CG 3.28Å; S270-L274 PolarHBondContact O-N 3.3Å; S270-L449 VanDerWaalsContact OG-CD1 3.26Å; S270-L449 WeakPolarHBondContact OG-CD1 3.41Å
271	E	97.8	Very high	95.7	Very high	54 Å²	54	52 Å²	52	25%	0.252	25%	0.253	S	S	.	.	H	α-helix	trans	-62	-43.9	178	-75.7	-179.1	-169.6	0	0	112.4	F248 L249 M252 W267 R269 K275	F248-E271 HydrophobicContact CE1-CG 4.48Å; L249-E271 HydrophobicContact CD2-CG 4.26Å; M252-E271 HydrophobicContact CB-CG 4.39Å; M252-E271 HydrophobicContact CG-CG 4.4Å; W267-E271 WeakPolarHBondContact O-CB 3.23Å; W267-E271 VanDerWaalsContact O-CG 3.31Å; W267-E271 WeakPolarHBondContact O-CG 3.38Å; W267-E271 PolarHBondContact O-N 3.43Å; R269-E271 VanDerWaalsContact C-N 3.32Å; R269-E271 PolarHBondContact O-N 3.38Å; E271-K275 WeakPolarHBondContact O-CB 3.47Å; E271-K275 PolarHBondContact O-N 3.11Å
272	I	95.6	Very high	95.4	Very high	51 Å²	51	55.5 Å²	55.5	26%	0.262	27%	0.267	S	S	.	.	H	α-helix	trans	-56.8	-53.8	177.5	-71.3	161.4	0	0	0	111	Q111 S268 R269 S270 R276	Q111-I272 HydrophobicContact CG-CD1 3.95Å; Q111-I272 HydrophobicContact CG-CG1 4.12Å; S268-I272 VanDerWaalsContact O-CD1 3.31Å; S268-I272 WeakPolarHBondContact O-CD1 3.45Å; S268-I272 WeakPolarHBondContact O-CG1 3.3Å; S268-I272 PolarHBondContact O-N 2.95Å; S268-I272 VanDerWaalsContact O-N 3.08Å; R269-I272 PolarHBondContact O-N 2.92Å; S270-I272 PolarHBondContact O-N 2.99Å; I272-R276 VanDerWaalsContact O-CB 3.3Å; I272-R276 WeakPolarHBondContact O-CB 3.27Å; I272-R276 PolarHBondContact O-N 2.89Å
273	H	94	Very high	95.1	Very high	65 Å²	65	55.6 Å²	55.6	30%	0.301	27%	0.268	S	S	.	.	H	α-helix	trans	-66.6	-47.4	-172.6	-77.7	-112.8	0	0	0	110.9	R269 S270 R276 H277 L447	R269-H273 PolarHBondContact O-CD2 3.41Å; R269-H273 PolarHBondContact O-N 2.98Å; R269-H273 VanDerWaalsContact O-N 3.11Å; S270-H273 PolarHBondContact O-N 2.93Å; H273-R276 PolarHBondContact O-N 3.1Å; H273-H277 PolarHBondContact O-N 2.95Å; H273-H277 VanDerWaalsContact O-N 3.07Å; H273-L447 HydrophobicContact CB-CD2 4.35Å
274	L	96.6	Very high	94.9	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-71.2	-40	-177.3	-65.8	176.6	0	0	0	112.4	F248 S270 H277 L278 V287 V308 F312 F386	F248-L274 HydrophobicContact CE1-CB 3.93Å; F248-L274 HydrophobicContact CE2-CB 4.04Å; F248-L274 HydrophobicContact CE2-CD1 3.86Å; F248-L274 HydrophobicContact CZ-CB 3.44Å; F248-L274 VanDerWaalsContact CZ-CB 3.44Å; F248-L274 HydrophobicContact CZ-CD1 3.71Å; F248-L274 HydrophobicContact CZ-CG 4.22Å; S270-L274 VanDerWaalsContact O-CB 3.28Å; S270-L274 WeakPolarHBondContact O-CB 3.36Å; S270-L274 VanDerWaalsContact O-CG 3.26Å; S270-L274 WeakPolarHBondContact O-CG 3.28Å; S270-L274 PolarHBondContact O-N 3.3Å; L274-H277 PolarHBondContact O-N 3Å; L274-L278 WeakPolarHBondContact O-CG 3.3Å; L274-L278 PolarHBondContact O-N 2.97Å; L274-V287 HydrophobicContact CD2-CB 4.33Å; L274-V287 HydrophobicContact CD2-CG1 3.94Å; L274-V308 HydrophobicContact CD1-CG1 3.83Å; L274-F312 HydrophobicContact CB-CD2 3.95Å; L274-F312 HydrophobicContact CB-CE2 4.17Å; L274-F312 HydrophobicContact CD1-CD2 4.41Å; L274-F312 HydrophobicContact CD2-CD2 3.77Å; L274-F312 HydrophobicContact CD2-CE2 3.94Å; L274-F312 HydrophobicContact CG-CD2 4.25Å; L274-F386 HydrophobicContact CD1-CE1 3.97Å; L274-F386 HydrophobicContact CD1-CZ 4.06Å; L274-F386 HydrophobicContact CD2-CD1 3.72Å; L274-F386 HydrophobicContact CD2-CD2 3.68Å; L274-F386 HydrophobicContact CD2-CE1 3.74Å; L274-F386 HydrophobicContact CD2-CE2 3.74Å; L274-F386 HydrophobicContact CD2-CG 3.7Å; L274-F386 HydrophobicContact CD2-CZ 3.76Å
275	K	95.8	Very high	94.8	Very high	56 Å²	56	56.2 Å²	56.2	24%	0.243	28%	0.276	C	S	.	.	H	α-helix	trans	-61	-47.4	173.9	176.8	179.4	172.2	-176.3	0	111.2	V245 F248 E271 H277 L278 Q279	V245-K275 HydrophobicContact CG1-CD 4.09Å; V245-K275 HydrophobicContact CG1-CG 3.86Å; V245-K275 HydrophobicContact CG2-CG 4.4Å; F248-K275 HydrophobicContact CE1-CB 4.48Å; E271-K275 WeakPolarHBondContact O-CB 3.47Å; E271-K275 PolarHBondContact O-N 3.11Å; K275-H277 VanDerWaalsContact C-N 3.26Å; K275-H277 PolarHBondContact O-N 3.46Å; K275-L278 PolarHBondContact O-N 2.86Å; K275-Q279 HydrophobicContact CG-CG 4.39Å; K275-Q279 WeakPolarHBondContact O-CG 3.27Å; K275-Q279 PolarHBondContact O-N 2.8Å
276	R	94.3	Very high	94.7	Very high	161 Å²	161	52.3 Å²	52.3	61%	0.608	26%	0.258	S	S	*	.	H	α-helix	trans	-57.2	-44.1	177.9	-179.7	-179.7	-70.3	163.5	-2.4	110.7	I272 H273 Q279 T280	I272-R276 VanDerWaalsContact O-CB 3.3Å; I272-R276 WeakPolarHBondContact O-CB 3.27Å; I272-R276 PolarHBondContact O-N 2.89Å; H273-R276 PolarHBondContact O-N 3.1Å; R276-Q279 PolarHBondContact O-N 3.18Å; R276-T280 PolarHBondContact O-N 3.26Å; R276-T280 VanDerWaalsContact O-N 3.1Å; R276-T280 PolarHBondContact O-OG1 3.45Å
277	H	94.3	Very high	94.6	Very high	13 Å²	13	53 Å²	53	6%	0.06	26%	0.262	C	S	.	.	H	α-helix	trans	-66.2	-38.3	178.7	-166.5	85.3	0	0	0	112.9	H273 L274 K275 T280 P283 E285 V287 F312 K383	H273-H277 PolarHBondContact O-N 2.95Å; H273-H277 VanDerWaalsContact O-N 3.07Å; L274-H277 PolarHBondContact O-N 3Å; K275-H277 VanDerWaalsContact C-N 3.26Å; K275-H277 PolarHBondContact O-N 3.46Å; H277-T280 PolarHBondContact O-N 2.76Å; H277-P283 VanDerWaalsContact CE1-CB 3.48Å; H277-P283 WeakPolarHBondContact CE1-CB 3.39Å; H277-E285 PolarHBondContact CE1-O 3.35Å; H277-E285 VanDerWaalsContact CE1-O 3.3Å; H277-V287 HydrophobicContact CB-CG2 3.44Å; H277-V287 VanDerWaalsContact CB-CG2 3.44Å; H277-V287 WeakPolarHBondContact ND1-CG2 3.31Å; H277-F312 AromaticContact CD2-CZ 3.98Å; H277-K383 PolarHBondContact CE1-O 2.95Å; H277-K383 PolarHBondContact NE2-O 2.98Å
278	L	93.4	Very high	94.5	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-39.2	172.8	-74.1	171.5	0	0	0	112.8	V245 F248 L274 K275 T280 F312 A315 R316	V245-L278 HydrophobicContact CG2-CB 4.1Å; F248-L278 HydrophobicContact CB-CD1 3.54Å; F248-L278 HydrophobicContact CD1-CD1 3.91Å; F248-L278 HydrophobicContact CD2-CD1 4.24Å; F248-L278 HydrophobicContact CG-CD1 3.62Å; L274-L278 WeakPolarHBondContact O-CG 3.3Å; L274-L278 PolarHBondContact O-N 2.97Å; K275-L278 PolarHBondContact O-N 2.86Å; L278-T280 VanDerWaalsContact C-N 3.3Å; L278-T280 PolarHBondContact O-N 3.39Å; L278-F312 HydrophobicContact CD1-CD2 4.22Å; L278-F312 HydrophobicContact CD1-CE2 4.09Å; L278-F312 HydrophobicContact CD2-CD2 4.3Å; L278-F312 HydrophobicContact CD2-CE1 4.16Å; L278-F312 HydrophobicContact CD2-CE2 3.68Å; L278-F312 HydrophobicContact CD2-CZ 3.6Å; L278-F312 HydrophobicContact CG-CD2 4.17Å; L278-F312 HydrophobicContact CG-CE2 3.55Å; L278-F312 HydrophobicContact CG-CZ 3.97Å; L278-A315 HydrophobicContact CD1-CB 4.33Å; L278-R316 HydrophobicContact CD2-CG 4.17Å; L278-R316 VanDerWaalsContact CD2-NE 3.34Å
279	Q	93.3	Very high	94.6	Very high	65 Å²	65	50.4 Å²	50.4	30%	0.304	25%	0.245	S	C	.	.	H	α-helix	trans	-76.3	-17.1	-179.1	-69.5	179.9	-48	0	0	113.6	W242 V245 K275 R276 S281	W242-Q279 VanDerWaalsContact CZ3-NE2 3.26Å; V245-Q279 HydrophobicContact CG2-CG 3.52Å; K275-Q279 HydrophobicContact CG-CG 4.39Å; K275-Q279 WeakPolarHBondContact O-CG 3.27Å; K275-Q279 PolarHBondContact O-N 2.8Å; R276-Q279 PolarHBondContact O-N 3.18Å; Q279-S281 PolarHBondContact O-N 2.78Å
280	T	91.2	Very high	94.6	Very high	54 Å²	54	45.4 Å²	45.4	33%	0.331	23%	0.226	S	C	.	.			trans	-87.1	108.6	-178.8	-55.6	0	0	0	0	109.2	R276 H277 L278 Q282 P283	R276-T280 PolarHBondContact O-N 3.26Å; R276-T280 VanDerWaalsContact O-N 3.1Å; R276-T280 PolarHBondContact O-OG1 3.45Å; H277-T280 PolarHBondContact O-N 2.76Å; L278-T280 VanDerWaalsContact C-N 3.3Å; L278-T280 PolarHBondContact O-N 3.39Å; T280-Q282 PolarHBondContact O-N 3.02Å; T280-P283 HydrophobicContact CG2-CB 4.21Å; T280-P283 WeakPolarHBondContact O-CD 3.43Å
281	S	88.3	Confident	94.7	Very high	70 Å²	70	45.3 Å²	45.3	49%	0.49	23%	0.226	S	C	.	.	S	Bend	trans	-64.6	-28.4	-176.1	-47.1	0	0	0	0	113.2	Q279 K384	Q279-S281 PolarHBondContact O-N 2.78Å; S281-K384 WeakPolarHBondContact O-CE 3.31Å; S281-K384 PolarHBondContact O-NZ 3.19Å
282	Q	90.8	Very high	94.7	Very high	167 Å²	167	42.8 Å²	42.8	78%	0.78	21%	0.214	S	C	*	.	S	Bend	trans	-137.3	82.2	175.6	-64.8	-172	15.5	0	0	110.4	T280	T280-Q282 PolarHBondContact O-N 3.02Å
283	P	92.8	Very high	94.9	Very high	13 Å²	13	40.3 Å²	40.3	8%	0.084	20%	0.201	C	C	.	.			trans	-67	145.4	177.4	29.3	-33.7	0	0	0	110.6	H277 T280 K383 K384	H277-P283 VanDerWaalsContact CE1-CB 3.48Å; H277-P283 WeakPolarHBondContact CE1-CB 3.39Å; T280-P283 HydrophobicContact CG2-CB 4.21Å; T280-P283 WeakPolarHBondContact O-CD 3.43Å; P283-K383 HydrophobicContact CG-CB 4.49Å; P283-K383 VanDerWaalsContact CG-O 3.26Å; P283-K383 WeakPolarHBondContact CG-O 3.42Å; P283-K383 VanDerWaalsContact O-CB 3.3Å; P283-K383 WeakPolarHBondContact O-CB 3.41Å; P283-K384 HydrophobicContact CG-CB 4.41Å; P283-K384 HydrophobicContact CG-CG 3.64Å
284	T	92.8	Very high	95.1	Very high	97 Å²	97	37.3 Å²	37.3	60%	0.595	19%	0.187	S	C	*	.	S	Bend	trans	-81.5	-22.7	178.8	48.6	0	0	0	0	112.8	K383	T284-K383 WeakPolarHBondContact O-CD 3.14Å; T284-K383 VanDerWaalsContact O-CE 3.27Å; T284-K383 WeakPolarHBondContact O-CE 3.41Å; T284-K383 PolarHBondContact O-NZ 2.79Å
285	E	93.3	Very high	95.1	Very high	66 Å²	66	39.9 Å²	39.9	31%	0.308	20%	0.203	S	C	.	.	S	Bend	trans	-147.9	156.9	-176.3	65.2	179.8	172.8	0	0	110.4	H277 H377 K383 H446	H277-E285 PolarHBondContact CE1-O 3.35Å; H277-E285 VanDerWaalsContact CE1-O 3.3Å; E285-H377 WeakPolarHBondContact OE2-CA 3.43Å; E285-H377 VanDerWaalsContact OE2-CB 3.22Å; E285-H377 WeakPolarHBondContact OE2-CB 3.35Å; E285-K383 CarbonylContact C-O 3.6Å; E285-H446 IonicContact OE2-CE1 3.21Å
286	P	95.4	Very high	95.2	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.019	21%	0.212	C	C	.	.			trans	-73.6	170.1	172.6	32	-34.4	0	0	0	111.9	Y374 A380 T385 L387	P286-Y374 VanDerWaalsContact CG-O 3.23Å; P286-Y374 WeakPolarHBondContact CG-O 3.31Å; P286-A380 HydrophobicContact CG-CB 4.02Å; P286-T385 WeakPolarHBondContact CA-O 3.48Å; P286-T385 VanDerWaalsContact CB-O 3.29Å; P286-T385 WeakPolarHBondContact CB-O 3.29Å; P286-T385 WeakPolarHBondContact CB-OG1 3.31Å; P286-L387 HydrophobicContact CB-CD1 3.98Å; P286-L387 HydrophobicContact CG-CD1 4.39Å
287	V	96.2	Very high	95.4	Very high	15 Å²	15	35 Å²	35	9%	0.091	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125.7	168	-177.2	0	0	0	0	109.2	L274 H277 T385 F386 L387	L274-V287 HydrophobicContact CD2-CB 4.33Å; L274-V287 HydrophobicContact CD2-CG1 3.94Å; H277-V287 HydrophobicContact CB-CG2 3.44Å; H277-V287 VanDerWaalsContact CB-CG2 3.44Å; H277-V287 WeakPolarHBondContact ND1-CG2 3.31Å; V287-T385 PolarHBondContact N-O 3.22Å; V287-F386 HydrophobicContact CB-CD2 3.94Å; V287-F386 HydrophobicContact CG1-CD2 3.98Å; V287-F386 HydrophobicContact CG1-CE2 4.26Å; V287-F386 WeakPolarHBondContact O-CD2 3.34Å; V287-L387 PolarHBondContact O-N 3.37Å
288	S	96.7	Very high	95.6	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.1	168.4	-58.8	0	0	0	0	109.3	L387 R443	S288-L387 CarbonylContact C-O 3.58Å; S288-L387 WeakPolarHBondContact CA-O 3.25Å; S288-R443 PolarHBondContact OG-O 3.46Å
289	L	98.2	Very high	95.9	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133	176.4	-173.2	99.1	0	0	0	109.4	L291 F386 L387 I388 F389 L447 L449	L289-L291 HydrophobicContact CD2-CD2 3.7Å; L289-L291 HydrophobicContact CD2-CG 3.94Å; L289-L291 HydrophobicContact CG-CD2 4.49Å; L289-F386 HydrophobicContact CB-CE2 3.82Å; L289-F386 HydrophobicContact CB-CZ 4.39Å; L289-F386 HydrophobicContact CD2-CZ 4.47Å; L289-L387 PolarHBondContact N-O 3.31Å; L289-I388 HydrophobicContact CB-CG1 4.46Å; L289-I388 HydrophobicContact CD2-CD1 3.54Å; L289-I388 HydrophobicContact CD2-CG1 3.87Å; L289-I388 CarbonylContact O-C 3.54Å; L289-I388 WeakPolarHBondContact O-CA 3.24Å; L289-F389 PolarHBondContact O-N 3.25Å; L289-L447 WeakPolarHBondContact CA-O 3.34Å; L289-L447 HydrophobicContact CD1-CB 3.96Å; L289-L447 HydrophobicContact CD1-CD2 3.35Å; L289-L447 HydrophobicContact CD1-CG 3.53Å; L289-L449 HydrophobicContact CD1-CD1 3.94Å
290	I	98.9	Very high	96.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123.4	168.9	-55.4	-176.1	0	0	0	108.6	F389 V391 W441 I444 L447 I448 L449	I290-F389 WeakPolarHBondContact CA-O 3.42Å; I290-F389 HydrophobicContact CG1-CB 4.18Å; I290-F389 HydrophobicContact CG1-CD2 4.34Å; I290-V391 HydrophobicContact CG2-CB 4.33Å; I290-V391 HydrophobicContact CG2-CG2 3.78Å; I290-W441 HydrophobicContact CD1-CZ3 3.96Å; I290-I444 HydrophobicContact CD1-CD1 4.18Å; I290-I444 HydrophobicContact CD1-CG1 4.14Å; I290-L447 PolarHBondContact N-O 3.4Å; I290-I448 HydrophobicContact CB-CB 4.48Å; I290-I448 HydrophobicContact CB-CG1 3.88Å; I290-I448 HydrophobicContact CD1-CG1 4.12Å; I290-I448 HydrophobicContact CG1-CG1 4.28Å; I290-I448 CarbonylContact O-C 3.53Å; I290-I448 WeakPolarHBondContact O-CA 3.26Å; I290-L449 PolarHBondContact O-N 2.92Å
291	L	98.9	Very high	96.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	136	161	-62.4	-172.5	0	0	0	108.6	L266 L289 M301 L304 A305 I388 F389 T390 V391 L449 V451	L266-L291 HydrophobicContact CD1-CD2 4.48Å; L289-L291 HydrophobicContact CD2-CD2 3.7Å; L289-L291 HydrophobicContact CD2-CG 3.94Å; L289-L291 HydrophobicContact CG-CD2 4.49Å; L291-M301 HydrophobicContact CB-CG 4.02Å; L291-M301 HydrophobicContact CB-SD 4.41Å; L291-M301 VanDerWaalsContact O-SD 3.35Å; L291-L304 HydrophobicContact CD1-CB 4.33Å; L291-L304 HydrophobicContact CD1-CD2 4.21Å; L291-L304 HydrophobicContact CD1-CG 3.98Å; L291-A305 HydrophobicContact CD1-CB 4.03Å; L291-I388 HydrophobicContact CD1-CD1 3.82Å; L291-I388 HydrophobicContact CG-CD1 4Å; L291-I388 HydrophobicContact CG-CG1 4.42Å; L291-F389 PolarHBondContact N-O 3.49Å; L291-T390 CarbonylContact O-C 3.45Å; L291-T390 VanDerWaalsContact O-CA 3.27Å; L291-T390 WeakPolarHBondContact O-CA 3.42Å; L291-V391 PolarHBondContact O-N 2.9Å; L291-L449 WeakPolarHBondContact CA-O 3.33Å; L291-L449 HydrophobicContact CD2-CB 3.91Å; L291-L449 HydrophobicContact CD2-CD1 4.45Å; L291-V451 HydrophobicContact CB-CG2 3.98Å; L291-V451 HydrophobicContact CD1-CG2 4.35Å; L291-V451 HydrophobicContact CD2-CG2 4.37Å; L291-V451 HydrophobicContact CG-CG2 4.47Å
292	T	98.8	Very high	97	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.9	179.4	-175	0	0	0	0	111.5	V391 I399 V408 V412 I448 L449 P450 V451	T292-V391 VanDerWaalsContact CA-O 3.31Å; T292-V391 WeakPolarHBondContact CA-O 3.39Å; T292-V391 PolarHBondContact OG1-O 3.3Å; T292-I399 HydrophobicContact CG2-CD1 3.82Å; T292-V408 HydrophobicContact CG2-CG1 3.56Å; T292-V412 HydrophobicContact CG2-CG2 3.61Å; T292-V412 WeakPolarHBondContact OG1-CG2 3.34Å; T292-I448 HydrophobicContact CG2-CG2 4.12Å; T292-L449 PolarHBondContact N-O 3.38Å; T292-P450 HydrophobicContact CG2-CB 4.46Å; T292-P450 CarbonylContact O-C 3.58Å; T292-P450 WeakPolarHBondContact O-CA 3.25Å; T292-V451 PolarHBondContact O-N 2.91Å
293	S	98.7	Very high	97.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	159.6	177.3	83	0	0	0	0	111.7	A297 M301 V391 L392 L393	S293-A297 PolarHBondContact OG-O 3.31Å; S293-M301 WeakPolarHBondContact OG-CE 3.48Å; S293-V391 PolarHBondContact N-O 2.82Å; S293-L392 WeakPolarHBondContact OG-CD1 3.26Å; S293-L393 WeakPolarHBondContact O-CB 3.37Å; S293-L393 PolarHBondContact O-N 3.42Å
294	G	98.3	Very high	97.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	175.3	159.8	0	0	0	0	0	111.3	R296 A297 L392 E396 E397	G294-R296 VanDerWaalsContact C-N 3.29Å; G294-R296 PolarHBondContact O-N 3.18Å; G294-A297 PolarHBondContact O-N 3.35Å; G294-L392 WeakPolarHBondContact O-CD1 3.48Å; G294-E396 CarbonylContact C-O 3.55Å; G294-E396 WeakPolarHBondContact CA-O 3.43Å; G294-E397 CarbonylContact C-O 3.53Å
295	V	97.9	Very high	97.9	Very high	54 Å²	54	24.2 Å²	24.2	33%	0.327	11%	0.107	S	C	.	.	G	3₁₀ helix	trans	-61.9	-31.2	-174.4	-64.8	0	0	0	0	113.9	A297 E298 L392 E396 E397	V295-A297 PolarHBondContact O-N 3.3Å; V295-E298 PolarHBondContact O-N 3.03Å; V295-L392 HydrophobicContact CG1-CD2 4.5Å; V295-E396 PolarHBondContact N-O 2.99Å; V295-E397 WeakPolarHBondContact CG2-OE2 3.13Å; V295-E397 PolarHBondContact N-O 3.39Å
296	R	97.9	Very high	98.2	Very high	113 Å²	113	24.2 Å²	24.2	43%	0.426	11%	0.107	S	C	.	.	G	3₁₀ helix	trans	-67.2	-17	178.8	-74.6	-170.8	61.7	-161.1	-9.3	114.8	G294 E397 E398 E458	G294-R296 VanDerWaalsContact C-N 3.29Å; G294-R296 PolarHBondContact O-N 3.18Å; R296-E397 WeakPolarHBondContact CD-OE1 3.29Å; R296-E397 HydrophobicContact CG-CG 3.87Å; R296-E397 WeakPolarHBondContact CG-OE1 3.23Å; R296-E397 PolarHBondContact N-O 3.39Å; R296-E398 HydrophobicContact CB-CG 3.82Å; R296-E398 WeakPolarHBondContact CD-OE1 3.31Å; R296-E398 HydrophobicContact CG-CG 4.21Å; R296-E398 IonicContact CZ-OE1 2.81Å; R296-E398 IonicContact NE-OE1 3.4Å; R296-E398 PolarHBondContact NE-OE1 2.89Å; R296-E398 VanDerWaalsContact NE-OE1 3.12Å; R296-E398 IonicContact NH1-OE1 3.12Å; R296-E398 PolarHBondContact NH1-OE1 2.78Å; R296-E398 IonicContact NH1-OE2 3.88Å; R296-E398 IonicContact NH2-OE1 3.56Å; R296-E398 PolarHBondContact NH2-OE1 2.84Å; R296-E458 VanDerWaalsContact O-CG 3.32Å; R296-E458 WeakPolarHBondContact O-CG 3.46Å
297	A	98.4	Very high	98.3	Very high	3 Å²	3	24.7 Å²	24.7	3%	0.025	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-114.2	18.1	-175.8	0	0	0	0	0	112.5	S293 G294 V295 R299 T300 M301 A453 E458	S293-A297 PolarHBondContact OG-O 3.31Å; G294-A297 PolarHBondContact O-N 3.35Å; V295-A297 PolarHBondContact O-N 3.3Å; A297-R299 PolarHBondContact O-N 3.4Å; A297-T300 PolarHBondContact O-N 2.81Å; A297-M301 WeakPolarHBondContact O-CB 3.31Å; A297-M301 PolarHBondContact O-N 2.63Å; A297-A453 HydrophobicContact CB-CB 3.93Å; A297-E458 VanDerWaalsContact C-OE1 3.23Å; A297-E458 VanDerWaalsContact CA-OE1 3.31Å; A297-E458 WeakPolarHBondContact CA-OE1 3.21Å
298	E	98.3	Very high	98.4	Very high	53 Å²	53	24 Å²	24	25%	0.248	11%	0.108	C	C	.	.	H	α-helix	trans	-58.9	-48.3	-175.7	-173.1	-170.4	167.8	0	0	112.2	V295 R302 R359 L392	V295-E298 PolarHBondContact O-N 3.03Å; E298-R302 WeakPolarHBondContact O-CB 3.21Å; E298-R302 PolarHBondContact O-N 3.34Å; E298-R302 VanDerWaalsContact O-N 3.07Å; E298-R302 IonicContact OE1-CZ 3.62Å; E298-R302 IonicContact OE1-NH1 3.36Å; E298-R302 PolarHBondContact OE1-NH1 3.05Å; E298-R302 IonicContact OE1-NH2 3.62Å; E298-R302 PolarHBondContact OE1-NH2 3.19Å; E298-R359 IonicContact OE1-NH1 2.86Å; E298-R359 PolarHBondContact OE1-NH1 3.42Å; E298-L392 HydrophobicContact CB-CD1 3.82Å; E298-L392 HydrophobicContact CB-CD2 4.29Å; E298-L392 HydrophobicContact CG-CD1 3.96Å; E298-L392 HydrophobicContact CG-CD2 3.86Å
299	R	98.4	Very high	98.5	Very high	121 Å²	121	24 Å²	24	46%	0.457	11%	0.108	S	C	.	.	H	α-helix	trans	-70.5	-38.9	-177.9	-61.1	175.8	178.3	-176.1	-0.2	110.4	A297 M301 R302 C303 E458	A297-R299 PolarHBondContact O-N 3.4Å; R299-M301 PolarHBondContact O-N 3.17Å; R299-R302 WeakPolarHBondContact O-CB 3.31Å; R299-R302 PolarHBondContact O-N 3.3Å; R299-C303 PolarHBondContact O-N 2.93Å; R299-C303 PolarHBondContact O-SG 3.23Å; R299-E458 VanDerWaalsContact CB-OE2 3.23Å; R299-E458 WeakPolarHBondContact CB-OE2 3.48Å; R299-E458 VanDerWaalsContact CD-O 3.24Å; R299-E458 WeakPolarHBondContact CD-O 3.26Å; R299-E458 WeakPolarHBondContact CG-OE2 3.31Å; R299-E458 PolarHBondContact N-OE1 2.87Å; R299-E458 PolarHBondContact N-OE2 3.44Å; R299-E458 PolarHBondContact NH1-O 2.94Å
300	T	98.8	Very high	98.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-57.8	-50.4	175.7	-58.9	0	0	0	0	110.7	F259 A297 R302 C303 L304 V451 A452 E454 E458	F259-T300 HydrophobicContact CD1-CG2 3.72Å; F259-T300 HydrophobicContact CE1-CG2 3.91Å; A297-T300 PolarHBondContact O-N 2.81Å; T300-R302 VanDerWaalsContact C-N 3.33Å; T300-R302 PolarHBondContact O-N 3.42Å; T300-C303 PolarHBondContact O-N 3.4Å; T300-L304 VanDerWaalsContact O-CB 3.23Å; T300-L304 WeakPolarHBondContact O-CB 3.44Å; T300-L304 PolarHBondContact O-N 2.9Å; T300-V451 HydrophobicContact CG2-CG1 3.8Å; T300-A452 VanDerWaalsContact CG2-O 3.31Å; T300-A452 WeakPolarHBondContact CG2-O 3.4Å; T300-E454 HydrophobicContact CG2-CB 4Å; T300-E454 HydrophobicContact CG2-CG 3.59Å; T300-E454 PolarHBondContact OG1-N 2.91Å; T300-E458 WeakPolarHBondContact CA-OE1 3.41Å; T300-E458 WeakPolarHBondContact CB-OE1 3.4Å; T300-E458 PolarHBondContact N-OE1 2.9Å; T300-E458 PolarHBondContact OG1-OE1 3.18Å
301	M	98.8	Very high	98.5	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-59.3	-43.4	176.7	179.2	178.5	58.4	0	0	111.7	L291 S293 A297 R299 L304 A305 T390 L392 V451	L291-M301 HydrophobicContact CB-CG 4.02Å; L291-M301 HydrophobicContact CB-SD 4.41Å; L291-M301 VanDerWaalsContact O-SD 3.35Å; S293-M301 WeakPolarHBondContact OG-CE 3.48Å; A297-M301 WeakPolarHBondContact O-CB 3.31Å; A297-M301 PolarHBondContact O-N 2.63Å; R299-M301 PolarHBondContact O-N 3.17Å; M301-L304 PolarHBondContact O-N 3.45Å; M301-A305 WeakPolarHBondContact O-CB 3.47Å; M301-A305 PolarHBondContact O-N 3.35Å; M301-T390 HydrophobicContact CG-CG2 4.05Å; M301-T390 HydrophobicContact SD-CG2 4.46Å; M301-L392 HydrophobicContact CE-CB 4.14Å; M301-L392 HydrophobicContact CE-CD1 4.01Å; M301-V451 HydrophobicContact CB-CB 4.22Å; M301-V451 HydrophobicContact CB-CG1 4.15Å; M301-V451 HydrophobicContact CB-CG2 4.28Å; M301-V451 HydrophobicContact CG-CG2 4.16Å
302	R	98.6	Very high	98.4	Very high	69 Å²	69	26.8 Å²	26.8	26%	0.26	13%	0.128	S	C	.	.	H	α-helix	trans	-59.5	-50.6	175.9	-178.4	-178.8	-72.3	104	-2.7	111.5	E298 R299 T300 A305 Q306	E298-R302 WeakPolarHBondContact O-CB 3.21Å; E298-R302 PolarHBondContact O-N 3.34Å; E298-R302 VanDerWaalsContact O-N 3.07Å; E298-R302 IonicContact OE1-CZ 3.62Å; E298-R302 IonicContact OE1-NH1 3.36Å; E298-R302 PolarHBondContact OE1-NH1 3.05Å; E298-R302 IonicContact OE1-NH2 3.62Å; E298-R302 PolarHBondContact OE1-NH2 3.19Å; R299-R302 WeakPolarHBondContact O-CB 3.31Å; R299-R302 PolarHBondContact O-N 3.3Å; T300-R302 VanDerWaalsContact C-N 3.33Å; T300-R302 PolarHBondContact O-N 3.42Å; R302-A305 PolarHBondContact O-N 3.07Å; R302-Q306 WeakPolarHBondContact O-CG 3.45Å; R302-Q306 PolarHBondContact O-N 3.07Å
303	C	98.6	Very high	98.3	Very high	8 Å²	8	27.1 Å²	27.1	5%	0.054	13%	0.13	C	C	.	.	H	α-helix	trans	-66.3	-38	179.9	-61	0	0	0	0	112.2	F259 R299 T300 Q306 G307 I457 C462	F259-C303 HydrophobicContact CE1-CB 4.06Å; F259-C303 HydrophobicContact CZ-CB 3.8Å; R299-C303 PolarHBondContact O-N 2.93Å; R299-C303 PolarHBondContact O-SG 3.23Å; T300-C303 PolarHBondContact O-N 3.4Å; C303-Q306 PolarHBondContact O-N 2.95Å; C303-G307 PolarHBondContact O-N 3.37Å; C303-I457 HydrophobicContact CB-CG2 3.97Å; C303-I457 WeakPolarHBondContact SG-CG2 3.29Å; C303-C462 WeakPolarHBondContact CA-SG 3.28Å; C303-C462 HydrophobicContact CB-CB 3.84Å; C303-C462 WeakPolarHBondContact CB-SG 3.36Å; C303-C462 VanDerWaalsContact SG-CA 3.51Å; C303-C462 WeakPolarHBondContact SG-CB 3.45Å; C303-C462 PolarHBondContact SG-N 3.2Å; C303-C462 VanDerWaalsContact SG-N 3.4Å; C303-C462 CovalentContact SG-SG 2.02Å; C303-C462 PolarHBondContact SG-SG 3.41Å
304	L	98.8	Very high	98.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-66	-43.9	178.7	-177.6	57.6	0	0	0	110.9	V255 F259 Q262 L266 W267 L291 T300 M301 Q306 G307 V308 V451	V255-L304 HydrophobicContact CG1-CD1 3.87Å; F259-L304 HydrophobicContact CD1-CB 4.12Å; F259-L304 HydrophobicContact CD1-CD1 4.22Å; F259-L304 HydrophobicContact CD2-CD1 3.77Å; F259-L304 HydrophobicContact CE1-CB 3.7Å; F259-L304 HydrophobicContact CE1-CD1 4.37Å; F259-L304 HydrophobicContact CE2-CB 4.47Å; F259-L304 HydrophobicContact CE2-CD1 3.96Å; F259-L304 HydrophobicContact CG-CD1 3.95Å; F259-L304 HydrophobicContact CZ-CB 3.93Å; F259-L304 HydrophobicContact CZ-CD1 4.27Å; Q262-L304 HydrophobicContact CG-CD2 4.41Å; L266-L304 HydrophobicContact CD1-CD2 3.63Å; L266-L304 HydrophobicContact CD2-CD2 4.12Å; W267-L304 HydrophobicContact CH2-CD1 3.57Å; W267-L304 HydrophobicContact CZ3-CD1 3.95Å; L291-L304 HydrophobicContact CD1-CB 4.33Å; L291-L304 HydrophobicContact CD1-CD2 4.21Å; L291-L304 HydrophobicContact CD1-CG 3.98Å; T300-L304 VanDerWaalsContact O-CB 3.23Å; T300-L304 WeakPolarHBondContact O-CB 3.44Å; T300-L304 PolarHBondContact O-N 2.9Å; M301-L304 PolarHBondContact O-N 3.45Å; L304-Q306 VanDerWaalsContact C-N 3.3Å; L304-Q306 PolarHBondContact O-N 2.78Å; L304-G307 PolarHBondContact O-N 2.82Å; L304-G307 VanDerWaalsContact O-N 3.15Å; L304-V308 HydrophobicContact CD1-CG2 4.11Å; L304-V308 HydrophobicContact CG-CG2 4.45Å; L304-V308 WeakPolarHBondContact O-CG2 3.45Å; L304-V308 PolarHBondContact O-N 3.27Å; L304-V451 HydrophobicContact CD2-CG1 3.98Å; L304-V451 HydrophobicContact CD2-CG2 3.87Å
305	A	98.8	Very high	98	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-57.9	-44.6	175.3	0	0	0	0	0	111.6	L291 M301 R302 A309 V356 I388 T390	L291-A305 HydrophobicContact CD1-CB 4.03Å; M301-A305 WeakPolarHBondContact O-CB 3.47Å; M301-A305 PolarHBondContact O-N 3.35Å; R302-A305 PolarHBondContact O-N 3.07Å; A305-A309 VanDerWaalsContact O-CB 3.23Å; A305-A309 WeakPolarHBondContact O-CB 3.47Å; A305-A309 PolarHBondContact O-N 2.89Å; A305-V356 HydrophobicContact CB-CG1 3.99Å; A305-I388 HydrophobicContact CB-CD1 3.79Å; A305-I388 HydrophobicContact CB-CG1 4.25Å; A305-T390 HydrophobicContact CB-CG2 3.6Å
306	Q	98.5	Very high	97.7	Very high	66 Å²	66	30.6 Å²	30.6	31%	0.308	14%	0.144	S	C	.	.	H	α-helix	trans	-63.4	-42	175.3	-67.4	174.9	-4.8	0	0	112.2	R302 C303 L304 A309 S310	R302-Q306 WeakPolarHBondContact O-CG 3.45Å; R302-Q306 PolarHBondContact O-N 3.07Å; C303-Q306 PolarHBondContact O-N 2.95Å; L304-Q306 VanDerWaalsContact C-N 3.3Å; L304-Q306 PolarHBondContact O-N 2.78Å; Q306-A309 PolarHBondContact O-N 3.02Å; Q306-S310 WeakPolarHBondContact O-CB 2.88Å; Q306-S310 PolarHBondContact O-N 3.46Å
307	G	98.4	Very high	97.5	Very high	13 Å²	13	32.6 Å²	32.6	13%	0.134	16%	0.163	C	C	.	.	H	α-helix	trans	-62.4	-48.4	177.9	0	0	0	0	0	112.6	V255 C303 L304 S310 A311	V255-G307 WeakPolarHBondContact CG2-O 3.37Å; C303-G307 PolarHBondContact O-N 3.37Å; L304-G307 PolarHBondContact O-N 2.82Å; L304-G307 VanDerWaalsContact O-N 3.15Å; G307-S310 PolarHBondContact O-N 3.49Å; G307-A311 WeakPolarHBondContact O-CB 3.2Å; G307-A311 PolarHBondContact O-N 2.87Å
308	V	98.6	Very high	97.4	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-63.7	-44.8	177.5	175.6	0	0	0	0	110.8	M252 V255 L274 L304 S310 A311 F312 F386 I388	M252-V308 HydrophobicContact CE-CG2 4.2Å; M252-V308 HydrophobicContact SD-CB 4.48Å; M252-V308 HydrophobicContact SD-CG1 4.35Å; M252-V308 HydrophobicContact SD-CG2 4.2Å; V255-V308 HydrophobicContact CG1-CG2 4.48Å; L274-V308 HydrophobicContact CD1-CG1 3.83Å; L304-V308 HydrophobicContact CD1-CG2 4.11Å; L304-V308 HydrophobicContact CG-CG2 4.45Å; L304-V308 WeakPolarHBondContact O-CG2 3.45Å; L304-V308 PolarHBondContact O-N 3.27Å; V308-S310 PolarHBondContact O-N 2.84Å; V308-A311 PolarHBondContact O-N 3.17Å; V308-F312 PolarHBondContact O-N 3.29Å; V308-F386 HydrophobicContact CG1-CE1 4.08Å; V308-F386 HydrophobicContact CG1-CZ 4.05Å; V308-I388 HydrophobicContact CB-CD1 4.38Å; V308-I388 HydrophobicContact CG1-CD1 4.47Å
309	A	98.4	Very high	97.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.9	-45	176.3	0	0	0	0	0	112.3	A305 Q306 A311 F312 S313 V320 V354 V356 I388	A305-A309 VanDerWaalsContact O-CB 3.23Å; A305-A309 WeakPolarHBondContact O-CB 3.47Å; A305-A309 PolarHBondContact O-N 2.89Å; Q306-A309 PolarHBondContact O-N 3.02Å; A309-A311 PolarHBondContact O-N 2.65Å; A309-F312 PolarHBondContact O-N 3.15Å; A309-S313 WeakPolarHBondContact O-CB 3.21Å; A309-S313 PolarHBondContact O-N 3.11Å; A309-V320 HydrophobicContact CB-CG1 3.92Å; A309-V320 HydrophobicContact CB-CG2 4.2Å; A309-V354 HydrophobicContact CB-CG1 3.7Å; A309-V356 HydrophobicContact CB-CG2 3.44Å; A309-V356 VanDerWaalsContact CB-CG2 3.44Å; A309-I388 HydrophobicContact CB-CG2 4.24Å
310	S	97.9	Very high	97.2	Very high	57 Å²	57	28.3 Å²	28.3	40%	0.399	16%	0.158	S	C	.	.	H	α-helix	trans	-64.8	-38.3	177.7	-178.5	0	0	0	0	112.2	Q306 G307 V308 F312 S313 T314	Q306-S310 WeakPolarHBondContact O-CB 2.88Å; Q306-S310 PolarHBondContact O-N 3.46Å; G307-S310 PolarHBondContact O-N 3.49Å; V308-S310 PolarHBondContact O-N 2.84Å; S310-F312 VanDerWaalsContact C-N 3.32Å; S310-F312 PolarHBondContact O-N 3.27Å; S310-S313 PolarHBondContact O-N 2.86Å; S310-S313 PolarHBondContact O-OG 2.89Å; S310-T314 VanDerWaalsContact O-CB 3.22Å; S310-T314 WeakPolarHBondContact O-CB 3.2Å; S310-T314 PolarHBondContact O-N 3.47Å; S310-T314 PolarHBondContact O-OG1 3.2Å
311	A	98	Very high	97.2	Very high	2 Å²	2	29.3 Å²	29.3	2%	0.017	16%	0.163	C	C	.	.	H	α-helix	trans	-60.3	-43.8	175.6	0	0	0	0	0	111.6	F248 Q251 M252 V255 G307 V308 A309 A315	F248-A311 HydrophobicContact CD2-CB 4.34Å; F248-A311 HydrophobicContact CE2-CB 4.39Å; Q251-A311 HydrophobicContact CB-CB 3.61Å; M252-A311 HydrophobicContact CG-CB 4.03Å; M252-A311 HydrophobicContact SD-CB 3.83Å; V255-A311 HydrophobicContact CG2-CB 4.29Å; G307-A311 WeakPolarHBondContact O-CB 3.2Å; G307-A311 PolarHBondContact O-N 2.87Å; V308-A311 PolarHBondContact O-N 3.17Å; A309-A311 PolarHBondContact O-N 2.65Å; A311-A315 PolarHBondContact O-N 3.44Å
312	F	97.2	Very high	97.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-69.7	-46.4	176.9	-169.1	-82.2	0	0	0	112.4	F248 L274 H277 L278 V308 A309 S310 T314 A315 R316 V354 F386	F248-F312 HydrophobicContact CD2-CB 4.41Å; F248-F312 HydrophobicContact CD2-CD2 4.49Å; F248-F312 HydrophobicContact CE2-CB 4.41Å; F248-F312 HydrophobicContact CE2-CD2 4.41Å; L274-F312 HydrophobicContact CB-CD2 3.95Å; L274-F312 HydrophobicContact CB-CE2 4.17Å; L274-F312 HydrophobicContact CD1-CD2 4.41Å; L274-F312 HydrophobicContact CD2-CD2 3.77Å; L274-F312 HydrophobicContact CD2-CE2 3.94Å; L274-F312 HydrophobicContact CG-CD2 4.25Å; H277-F312 AromaticContact CD2-CZ 3.98Å; L278-F312 HydrophobicContact CD1-CD2 4.22Å; L278-F312 HydrophobicContact CD1-CE2 4.09Å; L278-F312 HydrophobicContact CD2-CD2 4.3Å; L278-F312 HydrophobicContact CD2-CE1 4.16Å; L278-F312 HydrophobicContact CD2-CE2 3.68Å; L278-F312 HydrophobicContact CD2-CZ 3.6Å; L278-F312 HydrophobicContact CG-CD2 4.17Å; L278-F312 HydrophobicContact CG-CE2 3.55Å; L278-F312 HydrophobicContact CG-CZ 3.97Å; V308-F312 PolarHBondContact O-N 3.29Å; A309-F312 PolarHBondContact O-N 3.15Å; S310-F312 VanDerWaalsContact C-N 3.32Å; S310-F312 PolarHBondContact O-N 3.27Å; F312-T314 VanDerWaalsContact C-N 3.31Å; F312-T314 PolarHBondContact O-N 3.25Å; F312-A315 WeakPolarHBondContact O-CB 3.43Å; F312-A315 PolarHBondContact O-N 2.71Å; F312-R316 HydrophobicContact CD1-CG 4.45Å; F312-R316 HydrophobicContact CE1-CG 4.12Å; F312-R316 PolarHBondContact O-N 3.08Å; F312-V354 HydrophobicContact CB-CG2 4.37Å; F312-V354 HydrophobicContact CD1-CG2 3.44Å; F312-V354 VanDerWaalsContact CD1-CG2 3.44Å; F312-V354 HydrophobicContact CE1-CG2 4.15Å; F312-V354 HydrophobicContact CG-CG2 4.29Å; F312-F386 HydrophobicContact CB-CD1 3.89Å; F312-F386 HydrophobicContact CB-CE1 4.25Å; F312-F386 HydrophobicContact CD1-CB 4.25Å; F312-F386 HydrophobicContact CD1-CD1 4.17Å; F312-F386 HydrophobicContact CD2-CD1 4.18Å; F312-F386 HydrophobicContact CE1-CB 4.11Å; F312-F386 AromaticContact CG-CD1 3.82Å; F312-F386 HydrophobicContact CG-CD1 3.82Å; F312-F386 HydrophobicContact CZ-CB 4.31Å
313	S	96.8	Very high	97.2	Very high	6 Å²	6	30.3 Å²	30.3	4%	0.042	17%	0.171	C	C	.	.	H	α-helix	trans	-64.9	-36.8	-178.5	86.2	0	0	0	0	111.5	A309 S310 A315 R316 N317 A318 V320	A309-S313 WeakPolarHBondContact O-CB 3.21Å; A309-S313 PolarHBondContact O-N 3.11Å; S310-S313 PolarHBondContact O-N 2.86Å; S310-S313 PolarHBondContact O-OG 2.89Å; S313-A315 VanDerWaalsContact C-N 3.31Å; S313-A315 PolarHBondContact O-N 3.11Å; S313-R316 CarbonylContact O-C 3.56Å; S313-R316 WeakPolarHBondContact O-CA 3.45Å; S313-R316 PolarHBondContact O-N 2.58Å; S313-N317 PolarHBondContact O-N 2.84Å; S313-A318 CarbonylContact C-O 3.48Å; S313-A318 WeakPolarHBondContact CB-O 3.36Å; S313-A318 PolarHBondContact O-N 3.49Å; S313-A318 PolarHBondContact OG-O 2.78Å; S313-V320 WeakPolarHBondContact OG-CG2 3.3Å
314	T	96.7	Very high	97.2	Very high	53 Å²	53	33.7 Å²	33.7	33%	0.325	19%	0.188	S	C	.	.	H	α-helix	trans	-60.7	-39.9	175.2	-60.5	0	0	0	0	111.7	V247 Q251 S310 F312 R316 N317	V247-T314 HydrophobicContact CG1-CG2 4.02Å; Q251-T314 HydrophobicContact CG-CG2 4.02Å; S310-T314 VanDerWaalsContact O-CB 3.22Å; S310-T314 WeakPolarHBondContact O-CB 3.2Å; S310-T314 PolarHBondContact O-N 3.47Å; S310-T314 PolarHBondContact O-OG1 3.2Å; F312-T314 VanDerWaalsContact C-N 3.31Å; F312-T314 PolarHBondContact O-N 3.25Å; T314-R316 PolarHBondContact O-N 3.14Å; T314-N317 PolarHBondContact O-N 2.78Å
315	A	94.8	Very high	97.1	Very high	8 Å²	8	33.7 Å²	33.7	7%	0.066	19%	0.188	C	C	.	.	H	α-helix	trans	-63.5	-27.4	175.1	0	0	0	0	0	112.8	Q244 V247 F248 L278 A311 F312 S313	Q244-A315 VanDerWaalsContact CG-O 3.23Å; Q244-A315 WeakPolarHBondContact CG-O 3.39Å; Q244-A315 VanDerWaalsContact O-CB 3.27Å; Q244-A315 WeakPolarHBondContact O-CB 3.42Å; V247-A315 HydrophobicContact CB-CB 4.42Å; V247-A315 HydrophobicContact CG1-CB 4.29Å; F248-A315 HydrophobicContact CB-CB 3.72Å; L278-A315 HydrophobicContact CD1-CB 4.33Å; A311-A315 PolarHBondContact O-N 3.44Å; F312-A315 WeakPolarHBondContact O-CB 3.43Å; F312-A315 PolarHBondContact O-N 2.71Å; S313-A315 VanDerWaalsContact C-N 3.31Å; S313-A315 PolarHBondContact O-N 3.11Å
316	R	91.6	Very high	97	Very high	67 Å²	67	35.4 Å²	35.4	25%	0.253	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	2.6	174.8	-66.3	-68.1	-165.8	175	-0.5	113.6	L278 F312 S313 T314 A318 P353	L278-R316 HydrophobicContact CD2-CG 4.17Å; L278-R316 VanDerWaalsContact CD2-NE 3.34Å; F312-R316 HydrophobicContact CD1-CG 4.45Å; F312-R316 HydrophobicContact CE1-CG 4.12Å; F312-R316 PolarHBondContact O-N 3.08Å; S313-R316 CarbonylContact O-C 3.56Å; S313-R316 WeakPolarHBondContact O-CA 3.45Å; S313-R316 PolarHBondContact O-N 2.58Å; T314-R316 PolarHBondContact O-N 3.14Å; R316-A318 VanDerWaalsContact C-N 3.26Å; R316-A318 HydrophobicContact CB-CB 3.88Å; R316-A318 PolarHBondContact O-N 2.77Å; R316-P353 HydrophobicContact CB-CG 4.13Å; R316-P353 HydrophobicContact CG-CG 4.31Å
317	N	93.6	Very high	96.9	Very high	155 Å²	155	34.5 Å²	34.5	83%	0.829	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	47.5	-170.7	-168.4	45.1	0	0	0	112.4	S313 T314	S313-N317 PolarHBondContact O-N 2.84Å; T314-N317 PolarHBondContact O-N 2.78Å
318	A	95.3	Very high	96.8	Very high	22 Å²	22	34.5 Å²	34.5	18%	0.182	21%	0.207	C	C	.	.			trans	-135.1	163.3	-166	0	0	0	0	0	111.9	S313 R316 D351 P353	S313-A318 CarbonylContact C-O 3.48Å; S313-A318 WeakPolarHBondContact CB-O 3.36Å; S313-A318 PolarHBondContact O-N 3.49Å; S313-A318 PolarHBondContact OG-O 2.78Å; R316-A318 VanDerWaalsContact C-N 3.26Å; R316-A318 HydrophobicContact CB-CB 3.88Å; R316-A318 PolarHBondContact O-N 2.77Å; A318-D351 VanDerWaalsContact CB-O 3.27Å; A318-D351 WeakPolarHBondContact CB-O 3.45Å; A318-P353 HydrophobicContact CB-CG 3.73Å
319	S	95.4	Very high	96.4	Very high	41 Å²	41	36.6 Å²	36.6	29%	0.287	22%	0.224	S	C	.	.			trans	-99.4	172.6	177.8	65.7	0	0	0	0	112.3	D351 K352	S319-D351 PolarHBondContact N-O 3.21Å; S319-D351 PolarHBondContact OG-OD2 2.86Å; S319-K352 WeakPolarHBondContact O-CA 3.37Å; S319-K352 WeakPolarHBondContact OG-CE 3.5Å; S319-K352 WeakPolarHBondContact OG-CG 3.44Å
320	V	98.1	Very high	95.9	Very high	25 Å²	25	40.8 Å²	40.8	15%	0.152	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	136.9	-175	-177.2	0	0	0	0	109.2	A309 S313 H322 V354 V356	A309-V320 HydrophobicContact CB-CG1 3.92Å; A309-V320 HydrophobicContact CB-CG2 4.2Å; S313-V320 WeakPolarHBondContact OG-CG2 3.3Å; V320-H322 WeakPolarHBondContact CG1-NE2 3.41Å; V320-V354 HydrophobicContact CG1-CB 4.42Å; V320-V354 HydrophobicContact CG1-CG1 4.29Å; V320-V354 HydrophobicContact CG2-CB 4.36Å; V320-V356 HydrophobicContact CG1-CG2 3.64Å
321	L	98.5	Very high	95.7	Very high	20 Å²	20	43 Å²	43	11%	0.105	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	133.4	167.2	177.1	69.6	0	0	0	109.4	I323 K343 L344 A347 K352 V354 A355 V356	L321-I323 HydrophobicContact CD2-CD1 3.95Å; L321-I323 HydrophobicContact CD2-CG1 4.12Å; L321-I323 HydrophobicContact CG-CG1 4.2Å; L321-K343 HydrophobicContact CD1-CB 4.42Å; L321-K343 HydrophobicContact CD2-CB 4.16Å; L321-L344 HydrophobicContact CD2-CD2 3.85Å; L321-L344 HydrophobicContact CD2-CG 4.42Å; L321-A347 HydrophobicContact CB-CB 3.98Å; L321-A347 HydrophobicContact CD1-CB 4.48Å; L321-A347 HydrophobicContact CD2-CB 3.75Å; L321-A347 HydrophobicContact CG-CB 4.27Å; L321-K352 HydrophobicContact CB-CD 4.29Å; L321-V354 PolarHBondContact N-O 3.1Å; L321-A355 HydrophobicContact CB-CB 4.24Å; L321-A355 HydrophobicContact CD2-CB 4.26Å; L321-A355 CarbonylContact O-C 3.58Å; L321-A355 WeakPolarHBondContact O-CA 3.27Å; L321-V356 PolarHBondContact O-N 3.05Å
322	H	98.3	Very high	95.4	Very high	89 Å²	89	47.3 Å²	47.3	41%	0.412	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.7	171.9	-64	-86.5	0	0	0	109.9	V320 H358	V320-H322 WeakPolarHBondContact CG1-NE2 3.41Å; H322-H358 AromaticContact ND1-NE2 3.56Å
323	I	98.6	Very high	95.2	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.015	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	121.7	174.5	-62.2	178	0	0	0	106.9	L321 K328 I340 L344 V356 I357 H358	L321-I323 HydrophobicContact CD2-CD1 3.95Å; L321-I323 HydrophobicContact CD2-CG1 4.12Å; L321-I323 HydrophobicContact CG-CG1 4.2Å; I323-K328 HydrophobicContact CG2-CD 4.46Å; I323-I340 HydrophobicContact CD1-CG2 4.14Å; I323-I340 HydrophobicContact CG2-CG1 4.34Å; I323-L344 HydrophobicContact CD1-CD2 4.09Å; I323-L344 HydrophobicContact CD1-CG 4.17Å; I323-V356 PolarHBondContact N-O 2.96Å; I323-I357 HydrophobicContact CB-CG1 4.48Å; I323-I357 HydrophobicContact CD1-CG1 4.45Å; I323-H358 PolarHBondContact O-N 3.38Å
324	D	98.1	Very high	95.1	Very high	79 Å²	79	51.6 Å²	51.6	42%	0.422	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	114.2	174.9	-179.2	31.6	0	0	0	110.5	A326 G327 K328	D324-A326 PolarHBondContact OD1-N 3.27Å; D324-G327 WeakPolarHBondContact OD2-CA 3.36Å; D324-G327 PolarHBondContact OD2-N 3.03Å; D324-K328 WeakPolarHBondContact O-CD 3.46Å; D324-K328 WeakPolarHBondContact O-CG 3.46Å
325	G	97.5	Very high	95	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	33%	0.329	C	S	.	.	S	Bend	trans	-75	-36.8	177.2	0	0	0	0	0	112.9	G327 K328 A329 H358	G325-G327 PolarHBondContact O-N 3.34Å; G325-K328 CarbonylContact O-C 3.48Å; G325-K328 WeakPolarHBondContact O-CA 3.35Å; G325-K328 WeakPolarHBondContact O-CB 3.47Å; G325-K328 PolarHBondContact O-N 3.49Å; G325-A329 PolarHBondContact O-N 3.49Å; G325-H358 VanDerWaalsContact CA-O 3.3Å; G325-H358 WeakPolarHBondContact CA-O 3.32Å; G325-H358 PolarHBondContact N-O 2.72Å
326	A	96.1	Very high	95.1	Very high	37 Å²	37	54.2 Å²	54.2	31%	0.306	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-63.9	-42.3	179.8	0	0	0	0	0	111.6	D324 K328 A329 R359 E362	D324-A326 PolarHBondContact OD1-N 3.27Å; A326-K328 PolarHBondContact O-N 3.07Å; A326-K328 VanDerWaalsContact O-N 3.09Å; A326-A329 VanDerWaalsContact O-CB 3.29Å; A326-A329 WeakPolarHBondContact O-CB 3.46Å; A326-A329 PolarHBondContact O-N 2.91Å; A326-A329 VanDerWaalsContact O-N 3.13Å; A326-R359 HydrophobicContact CB-CB 4.14Å; A326-R359 HydrophobicContact CB-CG 4.07Å; A326-E362 HydrophobicContact CB-CB 4.48Å; A326-E362 HydrophobicContact CB-CG 4.35Å
327	G	96.6	Very high	95.4	Very high	46 Å²	46	53.7 Å²	53.7	47%	0.474	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-64.5	-9.1	173	0	0	0	0	0	115	D324 G325 Q331	D324-G327 WeakPolarHBondContact OD2-CA 3.36Å; D324-G327 PolarHBondContact OD2-N 3.03Å; G325-G327 PolarHBondContact O-N 3.34Å; G327-Q331 PolarHBondContact O-NE2 3.34Å
328	K	96	Very high	95.6	Very high	14 Å²	14	49.9 Å²	49.9	6%	0.061	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-107.1	-2.2	177.8	-69.4	171.7	168.3	-169.2	0	113.3	I323 D324 G325 A326 Q331 V336 D339 L363 P364	I323-K328 HydrophobicContact CG2-CD 4.46Å; D324-K328 WeakPolarHBondContact O-CD 3.46Å; D324-K328 WeakPolarHBondContact O-CG 3.46Å; G325-K328 CarbonylContact O-C 3.48Å; G325-K328 WeakPolarHBondContact O-CA 3.35Å; G325-K328 WeakPolarHBondContact O-CB 3.47Å; G325-K328 PolarHBondContact O-N 3.49Å; A326-K328 PolarHBondContact O-N 3.07Å; A326-K328 VanDerWaalsContact O-N 3.09Å; K328-Q331 WeakPolarHBondContact O-CB 3.5Å; K328-Q331 PolarHBondContact O-N 3.18Å; K328-V336 HydrophobicContact CB-CG1 4.24Å; K328-V336 HydrophobicContact CB-CG2 4.22Å; K328-V336 HydrophobicContact CD-CG1 3.89Å; K328-V336 HydrophobicContact CG-CG1 4.42Å; K328-V336 HydrophobicContact CG-CG2 4.49Å; K328-D339 WeakPolarHBondContact CE-OD2 3.28Å; K328-D339 IonicContact NZ-OD2 3.5Å; K328-D339 PolarHBondContact NZ-OD2 3.23Å; K328-L363 HydrophobicContact CB-CD2 3.93Å; K328-L363 HydrophobicContact CD-CD2 3.8Å; K328-P364 WeakPolarHBondContact O-CD 3.33Å
329	A	91.5	Very high	95.7	Very high	44 Å²	44	51.2 Å²	51.2	36%	0.364	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	137.8	176.7	0	0	0	0	0	110.7	G325 A326 Q331 E362	G325-A329 PolarHBondContact O-N 3.49Å; A326-A329 VanDerWaalsContact O-CB 3.29Å; A326-A329 WeakPolarHBondContact O-CB 3.46Å; A326-A329 PolarHBondContact O-N 2.91Å; A326-A329 VanDerWaalsContact O-N 3.13Å; A329-Q331 PolarHBondContact O-N 3.1Å; A329-Q331 VanDerWaalsContact O-N 3.17Å; A329-E362 WeakPolarHBondContact CA-O 3.39Å; A329-E362 HydrophobicContact CB-CB 4.42Å
330	G	87.7	Confident	95.9	Very high	89 Å²	89	49.2 Å²	49.2	92%	0.918	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	0.9	178.6	0	0	0	0	0	116
331	Q	93.3	Very high	95.9	Very high	104 Å²	104	49.3 Å²	49.3	49%	0.486	30%	0.295	S	S	.	.	S	Bend	trans	-79.5	163.2	173	-61.3	-172.5	25.1	0	0	111.6	G327 K328 A329 S333 V336 P364	G327-Q331 PolarHBondContact O-NE2 3.34Å; K328-Q331 WeakPolarHBondContact O-CB 3.5Å; K328-Q331 PolarHBondContact O-N 3.18Å; A329-Q331 PolarHBondContact O-N 3.1Å; A329-Q331 VanDerWaalsContact O-N 3.17Å; Q331-S333 PolarHBondContact O-N 3.35Å; Q331-V336 HydrophobicContact CB-CG2 3.61Å; Q331-P364 WeakPolarHBondContact O-CG 3.27Å
332	D	92.9	Very high	95.9	Very high	92 Å²	92	56.2 Å²	56.2	49%	0.492	32%	0.32	S	S	.	.			trans	-59.1	129	174.5	177.4	-102.1	0	0	0	111.4	D334 Q335 V336	D332-D334 VanDerWaalsContact C-N 3.34Å; D332-D334 PolarHBondContact O-N 2.9Å; D332-D334 PolarHBondContact OD1-N 3.48Å; D332-D334 VanDerWaalsContact OD1-N 3.12Å; D332-Q335 HydrophobicContact CB-CB 4.22Å; D332-Q335 HydrophobicContact CB-CG 4.1Å; D332-Q335 PolarHBondContact O-N 3.44Å; D332-Q335 WeakPolarHBondContact OD1-CG 3.33Å; D332-Q335 PolarHBondContact OD1-N 2.93Å; D332-V336 WeakPolarHBondContact O-CG2 3.49Å; D332-V336 PolarHBondContact O-N 3.49Å
333	S	93	Very high	95.9	Very high	28 Å²	28	56 Å²	56	20%	0.196	32%	0.318	C	S	.	.	H	α-helix	trans	-63.7	-39	-172.6	-178.7	0	0	0	0	112.4	Q331 V336 K337 G366 S367	Q331-S333 PolarHBondContact O-N 3.35Å; S333-V336 PolarHBondContact O-N 3.48Å; S333-K337 VanDerWaalsContact O-CB 3.3Å; S333-K337 WeakPolarHBondContact O-CB 3.4Å; S333-K337 PolarHBondContact O-N 2.92Å; S333-G366 WeakPolarHBondContact OG-CA 3.39Å; S333-G366 PolarHBondContact OG-N 3.26Å; S333-S367 VanDerWaalsContact O-CB 3.32Å; S333-S367 WeakPolarHBondContact O-CB 3.42Å; S333-S367 PolarHBondContact OG-N 2.83Å
334	D	93.4	Very high	95.9	Very high	67 Å²	67	55.9 Å²	55.9	36%	0.358	32%	0.317	S	S	.	.	H	α-helix	trans	-73.7	-39.4	-178.1	-68	-26.1	0	0	0	111.1	D332 K337 L338	D332-D334 VanDerWaalsContact C-N 3.34Å; D332-D334 PolarHBondContact O-N 2.9Å; D332-D334 PolarHBondContact OD1-N 3.48Å; D332-D334 VanDerWaalsContact OD1-N 3.12Å; D334-K337 WeakPolarHBondContact O-CB 2.96Å; D334-K337 PolarHBondContact O-N 3.39Å; D334-L338 VanDerWaalsContact O-CG 3.31Å; D334-L338 WeakPolarHBondContact O-CG 3.26Å; D334-L338 PolarHBondContact O-N 3.12Å
335	Q	95.6	Very high	95.9	Very high	115 Å²	115	55.1 Å²	55.1	54%	0.537	31%	0.311	S	S	.	.	H	α-helix	trans	-62	-44.1	172.3	-65.7	-51.2	-47.9	0	0	111.9	D332 K337 L338 D339	D332-Q335 HydrophobicContact CB-CB 4.22Å; D332-Q335 HydrophobicContact CB-CG 4.1Å; D332-Q335 PolarHBondContact O-N 3.44Å; D332-Q335 WeakPolarHBondContact OD1-CG 3.33Å; D332-Q335 PolarHBondContact OD1-N 2.93Å; Q335-K337 VanDerWaalsContact C-N 3.34Å; Q335-K337 PolarHBondContact O-N 3.35Å; Q335-L338 PolarHBondContact O-N 2.91Å; Q335-D339 PolarHBondContact O-N 3.32Å
336	V	97.1	Very high	95.9	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.012	34%	0.335	C	S	.	.	H	α-helix	trans	-64.3	-40.8	177.2	172.8	0	0	0	0	111.3	K328 Q331 D332 S333 L338 D339 I340 L363 P364	K328-V336 HydrophobicContact CB-CG1 4.24Å; K328-V336 HydrophobicContact CB-CG2 4.22Å; K328-V336 HydrophobicContact CD-CG1 3.89Å; K328-V336 HydrophobicContact CG-CG1 4.42Å; K328-V336 HydrophobicContact CG-CG2 4.49Å; Q331-V336 HydrophobicContact CB-CG2 3.61Å; D332-V336 WeakPolarHBondContact O-CG2 3.49Å; D332-V336 PolarHBondContact O-N 3.49Å; S333-V336 PolarHBondContact O-N 3.48Å; V336-L338 PolarHBondContact O-N 2.98Å; V336-D339 PolarHBondContact O-N 3.49Å; V336-I340 HydrophobicContact CG1-CD1 3.73Å; V336-I340 HydrophobicContact CG1-CG1 4.29Å; V336-I340 VanDerWaalsContact O-CG1 3.31Å; V336-I340 WeakPolarHBondContact O-CG1 3.33Å; V336-I340 PolarHBondContact O-N 2.91Å; V336-L363 HydrophobicContact CG1-CD2 4.12Å; V336-P364 HydrophobicContact CB-CG 4.31Å; V336-P364 HydrophobicContact CG1-CG 4.47Å; V336-P364 HydrophobicContact CG2-CG 4.08Å
337	K	97.1	Very high	95.9	Very high	56 Å²	56	55.9 Å²	55.9	24%	0.243	32%	0.322	C	S	.	.	H	α-helix	trans	-56.9	-49.2	174.9	-169.7	180	177.7	177.8	0	111.2	S333 D334 Q335 I340 D341 I370 D430	S333-K337 VanDerWaalsContact O-CB 3.3Å; S333-K337 WeakPolarHBondContact O-CB 3.4Å; S333-K337 PolarHBondContact O-N 2.92Å; D334-K337 WeakPolarHBondContact O-CB 2.96Å; D334-K337 PolarHBondContact O-N 3.39Å; Q335-K337 VanDerWaalsContact C-N 3.34Å; Q335-K337 PolarHBondContact O-N 3.35Å; K337-I340 PolarHBondContact O-N 3.29Å; K337-D341 WeakPolarHBondContact O-CB 3.17Å; K337-D341 PolarHBondContact O-N 3.43Å; K337-I370 HydrophobicContact CG-CB 4.09Å; K337-I370 HydrophobicContact CG-CD1 4.43Å; K337-D430 IonicContact NZ-OD1 3.99Å
338	L	97.9	Very high	96	Very high	74 Å²	74	54.7 Å²	54.7	39%	0.387	30%	0.304	S	S	.	.	H	α-helix	trans	-65.5	-40	178.8	-70.2	172.3	0	0	0	112.6	D334 Q335 V336 D341 R342	D334-L338 VanDerWaalsContact O-CG 3.31Å; D334-L338 WeakPolarHBondContact O-CG 3.26Å; D334-L338 PolarHBondContact O-N 3.12Å; Q335-L338 PolarHBondContact O-N 2.91Å; V336-L338 PolarHBondContact O-N 2.98Å; L338-D341 PolarHBondContact O-N 3.39Å; L338-R342 VanDerWaalsContact O-CG 3.29Å; L338-R342 WeakPolarHBondContact O-CG 3.3Å; L338-R342 PolarHBondContact O-N 2.9Å
339	D	98.1	Very high	95.9	Very high	50 Å²	50	60 Å²	60	27%	0.267	33%	0.329	S	S	.	.	H	α-helix	trans	-63.2	-45.7	175.5	174.3	66.8	0	0	0	111.7	K328 Q335 V336 R342 K343	K328-D339 WeakPolarHBondContact CE-OD2 3.28Å; K328-D339 IonicContact NZ-OD2 3.5Å; K328-D339 PolarHBondContact NZ-OD2 3.23Å; Q335-D339 PolarHBondContact O-N 3.32Å; V336-D339 PolarHBondContact O-N 3.49Å; D339-R342 PolarHBondContact O-N 3.12Å; D339-K343 VanDerWaalsContact CG-NZ 3.31Å; D339-K343 WeakPolarHBondContact O-CB 3.31Å; D339-K343 WeakPolarHBondContact O-CG 3.09Å; D339-K343 PolarHBondContact O-N 3.05Å; D339-K343 WeakPolarHBondContact OD1-CE 3.49Å; D339-K343 IonicContact OD1-NZ 2.82Å; D339-K343 PolarHBondContact OD1-NZ 3.18Å; D339-K343 WeakPolarHBondContact OD2-CE 3.36Å; D339-K343 IonicContact OD2-NZ 3.63Å; D339-K343 PolarHBondContact OD2-NZ 3.25Å
340	I	98.5	Very high	96	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.4	-45.7	177.1	-68.6	171.8	0	0	0	110.4	I323 V336 K337 R342 K343 L344 L363 I370 F371	I323-I340 HydrophobicContact CD1-CG2 4.14Å; I323-I340 HydrophobicContact CG2-CG1 4.34Å; V336-I340 HydrophobicContact CG1-CD1 3.73Å; V336-I340 HydrophobicContact CG1-CG1 4.29Å; V336-I340 VanDerWaalsContact O-CG1 3.31Å; V336-I340 WeakPolarHBondContact O-CG1 3.33Å; V336-I340 PolarHBondContact O-N 2.91Å; K337-I340 PolarHBondContact O-N 3.29Å; I340-R342 PolarHBondContact O-N 3.44Å; I340-K343 PolarHBondContact O-N 2.96Å; I340-L344 HydrophobicContact CG2-CD1 3.55Å; I340-L344 HydrophobicContact CG2-CG 4.14Å; I340-L344 WeakPolarHBondContact O-CB 3.49Å; I340-L344 WeakPolarHBondContact O-CG 3.16Å; I340-L344 PolarHBondContact O-N 3.47Å; I340-L363 HydrophobicContact CD1-CD1 3.98Å; I340-L363 HydrophobicContact CD1-CD2 3.93Å; I340-I370 HydrophobicContact CB-CG2 4.25Å; I340-I370 HydrophobicContact CG2-CG1 4.46Å; I340-I370 HydrophobicContact CG2-CG2 3.63Å; I340-F371 HydrophobicContact CG2-CE1 4.3Å; I340-F371 HydrophobicContact CG2-CZ 4.4Å
341	D	98.5	Very high	96.1	Very high	27 Å²	27	60.8 Å²	60.8	14%	0.144	32%	0.318	C	S	.	.	H	α-helix	trans	-58.3	-49.7	179.2	-167.7	36.7	0	0	0	111.6	K337 L338 K343 L344 Q345 I370 R373 Y374	K337-D341 WeakPolarHBondContact O-CB 3.17Å; K337-D341 PolarHBondContact O-N 3.43Å; L338-D341 PolarHBondContact O-N 3.39Å; D341-K343 VanDerWaalsContact C-N 3.33Å; D341-K343 PolarHBondContact O-N 3.29Å; D341-L344 PolarHBondContact O-N 3.47Å; D341-Q345 VanDerWaalsContact O-CB 3.25Å; D341-Q345 WeakPolarHBondContact O-CB 3.17Å; D341-Q345 PolarHBondContact O-N 3.49Å; D341-I370 HydrophobicContact CB-CD1 3.72Å; D341-I370 HydrophobicContact CB-CG1 4.02Å; D341-R373 VanDerWaalsContact CG-NH1 3.27Å; D341-R373 IonicContact OD1-CZ 2.9Å; D341-R373 IonicContact OD1-NH1 2.71Å; D341-R373 PolarHBondContact OD1-NH1 2.92Å; D341-R373 IonicContact OD2-NH1 3.18Å; D341-R373 PolarHBondContact OD2-NH1 3.29Å; D341-Y374 PolarHBondContact O-OH 2.96Å; D341-Y374 VanDerWaalsContact OD1-CE2 3.31Å; D341-Y374 WeakPolarHBondContact OD1-CE2 3.5Å; D341-Y374 PolarHBondContact OD1-OH 3.02Å
342	R	98.4	Very high	96.1	Very high	165 Å²	165	58.9 Å²	58.9	62%	0.623	31%	0.308	S	S	*	.	H	α-helix	trans	-60.6	-41.5	178	-71	172.5	-171	152.7	3.7	112.3	L338 D339 I340 G346	L338-R342 VanDerWaalsContact O-CG 3.29Å; L338-R342 WeakPolarHBondContact O-CG 3.3Å; L338-R342 PolarHBondContact O-N 2.9Å; D339-R342 PolarHBondContact O-N 3.12Å; I340-R342 PolarHBondContact O-N 3.44Å; R342-G346 PolarHBondContact O-N 2.82Å
343	K	98.4	Very high	96.2	Very high	85 Å²	85	55.6 Å²	55.6	37%	0.37	29%	0.292	S	S	.	.	H	α-helix	trans	-65.9	-45.4	178.8	-78.3	173.8	176.7	158.7	0	111.9	L321 D339 I340 D341 A347	L321-K343 HydrophobicContact CD1-CB 4.42Å; L321-K343 HydrophobicContact CD2-CB 4.16Å; D339-K343 VanDerWaalsContact CG-NZ 3.31Å; D339-K343 WeakPolarHBondContact O-CB 3.31Å; D339-K343 WeakPolarHBondContact O-CG 3.09Å; D339-K343 PolarHBondContact O-N 3.05Å; D339-K343 WeakPolarHBondContact OD1-CE 3.49Å; D339-K343 IonicContact OD1-NZ 2.82Å; D339-K343 PolarHBondContact OD1-NZ 3.18Å; D339-K343 WeakPolarHBondContact OD2-CE 3.36Å; D339-K343 IonicContact OD2-NZ 3.63Å; D339-K343 PolarHBondContact OD2-NZ 3.25Å; I340-K343 PolarHBondContact O-N 2.96Å; D341-K343 VanDerWaalsContact C-N 3.33Å; D341-K343 PolarHBondContact O-N 3.29Å; K343-A347 WeakPolarHBondContact O-CB 3.27Å; K343-A347 PolarHBondContact O-N 3.03Å
344	L	98.5	Very high	96.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-67.7	-45.1	178.9	-70.6	171.3	0	0	0	111.3	L321 I323 I340 D341 A347 F348 A355 F371 Y374	L321-L344 HydrophobicContact CD2-CD2 3.85Å; L321-L344 HydrophobicContact CD2-CG 4.42Å; I323-L344 HydrophobicContact CD1-CD2 4.09Å; I323-L344 HydrophobicContact CD1-CG 4.17Å; I340-L344 HydrophobicContact CG2-CD1 3.55Å; I340-L344 HydrophobicContact CG2-CG 4.14Å; I340-L344 WeakPolarHBondContact O-CB 3.49Å; I340-L344 WeakPolarHBondContact O-CG 3.16Å; I340-L344 PolarHBondContact O-N 3.47Å; D341-L344 PolarHBondContact O-N 3.47Å; L344-A347 PolarHBondContact O-N 2.85Å; L344-F348 HydrophobicContact CB-CD2 4.18Å; L344-F348 HydrophobicContact CB-CE2 4Å; L344-F348 HydrophobicContact CD2-CE2 3.65Å; L344-F348 HydrophobicContact CD2-CZ 3.76Å; L344-F348 HydrophobicContact CG-CE2 4.35Å; L344-F348 WeakPolarHBondContact O-CB 3.4Å; L344-F348 VanDerWaalsContact O-CD2 3.24Å; L344-F348 WeakPolarHBondContact O-CD2 3.48Å; L344-F348 VanDerWaalsContact O-CG 3.29Å; L344-F348 WeakPolarHBondContact O-CG 3.43Å; L344-F348 PolarHBondContact O-N 3.32Å; L344-A355 HydrophobicContact CD2-CB 3.75Å; L344-F371 HydrophobicContact CD1-CE1 4.19Å; L344-Y374 HydrophobicContact CB-CD1 4.06Å; L344-Y374 HydrophobicContact CB-CE1 3.51Å; L344-Y374 HydrophobicContact CB-CE2 4.04Å; L344-Y374 HydrophobicContact CD1-CD1 4.16Å; L344-Y374 HydrophobicContact CD1-CD2 3.56Å; L344-Y374 HydrophobicContact CD1-CE1 4.26Å; L344-Y374 HydrophobicContact CD1-CE2 3.7Å; L344-Y374 HydrophobicContact CD1-CG 3.81Å; L344-Y374 HydrophobicContact CG-CE1 4.48Å
345	Q	98	Very high	96.7	Very high	62 Å²	62	51 Å²	51	29%	0.29	27%	0.265	S	S	.	.	H	α-helix	trans	-58.1	-53.4	175.7	177.7	163.3	8.7	0	0	111.3	D341 A347 F348 E349 Y374 Y382	D341-Q345 VanDerWaalsContact O-CB 3.25Å; D341-Q345 WeakPolarHBondContact O-CB 3.17Å; D341-Q345 PolarHBondContact O-N 3.49Å; Q345-A347 VanDerWaalsContact C-N 3.26Å; Q345-A347 PolarHBondContact O-N 2.97Å; Q345-F348 PolarHBondContact O-N 3.3Å; Q345-E349 HydrophobicContact CG-CG 4.32Å; Q345-E349 VanDerWaalsContact CG-OE1 3.3Å; Q345-E349 WeakPolarHBondContact CG-OE1 3.48Å; Q345-E349 PolarHBondContact NE2-OE1 3.18Å; Q345-E349 WeakPolarHBondContact O-CB 3.11Å; Q345-E349 WeakPolarHBondContact O-CG 3.43Å; Q345-E349 PolarHBondContact O-N 2.96Å; Q345-Y374 PolarHBondContact N-OH 3.48Å; Q345-Y382 WeakPolarHBondContact CG-OH 3.42Å
346	G	97.5	Very high	96.8	Very high	49 Å²	49	45.6 Å²	45.6	51%	0.505	24%	0.24	S	C	.	.	H	α-helix	trans	-62.4	-32.2	179.3	0	0	0	0	0	113.5	R342 G350	R342-G346 PolarHBondContact O-N 2.82Å; G346-G350 PolarHBondContact O-N 2.92Å
347	A	97	Very high	96.9	Very high	5 Å²	5	45.5 Å²	45.5	4%	0.041	24%	0.239	C	C	.	.	H	α-helix	trans	-70.6	-50.1	175.3	0	0	0	0	0	112.4	L321 K343 L344 Q345 G350 K352	L321-A347 HydrophobicContact CB-CB 3.98Å; L321-A347 HydrophobicContact CD1-CB 4.48Å; L321-A347 HydrophobicContact CD2-CB 3.75Å; L321-A347 HydrophobicContact CG-CB 4.27Å; K343-A347 WeakPolarHBondContact O-CB 3.27Å; K343-A347 PolarHBondContact O-N 3.03Å; L344-A347 PolarHBondContact O-N 2.85Å; Q345-A347 VanDerWaalsContact C-N 3.26Å; Q345-A347 PolarHBondContact O-N 2.97Å; A347-G350 CarbonylContact O-C 3.48Å; A347-G350 PolarHBondContact O-N 3.35Å; A347-K352 CarbonylContact C-O 3.38Å; A347-K352 HydrophobicContact CB-CB 3.78Å; A347-K352 HydrophobicContact CB-CD 4.32Å; A347-K352 CarbonylContact O-C 3.55Å; A347-K352 WeakPolarHBondContact O-CB 3.15Å; A347-K352 PolarHBondContact O-N 3.31Å; A347-K352 VanDerWaalsContact O-N 3.1Å
348	F	97.1	Very high	97	Very high	21 Å²	21	43.3 Å²	43.3	9%	0.092	23%	0.23	C	C	.	.	H	α-helix	trans	-79.3	-23.1	-173.5	-61.5	-36.1	0	0	0	113.9	L344 Q345 G350 K352 A355 Y374 Y382 T385 L387	L344-F348 HydrophobicContact CB-CD2 4.18Å; L344-F348 HydrophobicContact CB-CE2 4Å; L344-F348 HydrophobicContact CD2-CE2 3.65Å; L344-F348 HydrophobicContact CD2-CZ 3.76Å; L344-F348 HydrophobicContact CG-CE2 4.35Å; L344-F348 WeakPolarHBondContact O-CB 3.4Å; L344-F348 VanDerWaalsContact O-CD2 3.24Å; L344-F348 WeakPolarHBondContact O-CD2 3.48Å; L344-F348 VanDerWaalsContact O-CG 3.29Å; L344-F348 WeakPolarHBondContact O-CG 3.43Å; L344-F348 PolarHBondContact O-N 3.32Å; Q345-F348 PolarHBondContact O-N 3.3Å; F348-G350 VanDerWaalsContact C-N 3.33Å; F348-K352 WeakPolarHBondContact CD1-O 3.38Å; F348-A355 HydrophobicContact CE1-CB 4.18Å; F348-A355 HydrophobicContact CZ-CB 3.85Å; F348-Y374 AromaticContact CD2-CD1 3.81Å; F348-Y374 HydrophobicContact CD2-CD1 3.81Å; F348-Y374 AromaticContact CD2-CE1 3.85Å; F348-Y374 HydrophobicContact CD2-CE1 3.85Å; F348-Y374 AromaticContact CE2-CD1 3.67Å; F348-Y374 HydrophobicContact CE2-CD1 3.67Å; F348-Y374 HydrophobicContact CE2-CE1 4.09Å; F348-Y382 HydrophobicContact CB-CD1 3.51Å; F348-Y382 HydrophobicContact CB-CD2 3.81Å; F348-Y382 HydrophobicContact CB-CE1 3.89Å; F348-Y382 HydrophobicContact CB-CE2 4.17Å; F348-Y382 HydrophobicContact CB-CG 3.48Å; F348-Y382 VanDerWaalsContact CB-CG 3.48Å; F348-Y382 AromaticContact CD2-CD2 3.68Å; F348-Y382 HydrophobicContact CD2-CD2 3.68Å; F348-Y382 HydrophobicContact CD2-CE2 4.34Å; F348-Y382 AromaticContact CD2-CG 3.96Å; F348-Y382 HydrophobicContact CD2-CG 3.96Å; F348-Y382 HydrophobicContact CG-CD2 4.19Å; F348-Y382 HydrophobicContact CG-CG 4.07Å; F348-T385 HydrophobicContact CB-CG2 4.14Å; F348-T385 HydrophobicContact CD1-CG2 3.41Å; F348-T385 VanDerWaalsContact CD1-CG2 3.41Å; F348-T385 HydrophobicContact CD2-CG2 4.13Å; F348-T385 HydrophobicContact CE1-CG2 3.74Å; F348-T385 HydrophobicContact CE2-CG2 4.38Å; F348-T385 HydrophobicContact CG-CG2 3.65Å; F348-T385 HydrophobicContact CZ-CG2 4.21Å; F348-L387 HydrophobicContact CZ-CD1 4.34Å; F348-L387 HydrophobicContact CZ-CD2 4.35Å; F348-L387 HydrophobicContact CZ-CG 4.18Å
349	E	95.5	Very high	97	Very high	124 Å²	124	41.1 Å²	41.1	58%	0.579	22%	0.217	S	C	*	.	H	α-helix	trans	-77.6	-22.6	166	-68.4	175.3	178.1	0	0	112.3	Q345 Y382	Q345-E349 HydrophobicContact CG-CG 4.32Å; Q345-E349 VanDerWaalsContact CG-OE1 3.3Å; Q345-E349 WeakPolarHBondContact CG-OE1 3.48Å; Q345-E349 PolarHBondContact NE2-OE1 3.18Å; Q345-E349 WeakPolarHBondContact O-CB 3.11Å; Q345-E349 WeakPolarHBondContact O-CG 3.43Å; Q345-E349 PolarHBondContact O-N 2.96Å; E349-Y382 HydrophobicContact CG-CE1 3.71Å; E349-Y382 WeakPolarHBondContact CG-OH 3.35Å; E349-Y382 PolarHBondContact OE1-OH 2.86Å
350	G	92.6	Very high	97	Very high	51 Å²	51	38.8 Å²	38.8	53%	0.526	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-138.4	179.4	0	0	0	0	0	113.8	G346 A347 F348	G346-G350 PolarHBondContact O-N 2.92Å; A347-G350 CarbonylContact O-C 3.48Å; A347-G350 PolarHBondContact O-N 3.35Å; F348-G350 VanDerWaalsContact C-N 3.33Å
351	D	89.2	Confident	97	Very high	99 Å²	99	39 Å²	39	53%	0.529	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	15.4	-173.9	74.1	-50.7	0	0	0	113.6	A318 S319 P353	A318-D351 VanDerWaalsContact CB-O 3.27Å; A318-D351 WeakPolarHBondContact CB-O 3.45Å; S319-D351 PolarHBondContact N-O 3.21Å; S319-D351 PolarHBondContact OG-OD2 2.86Å; D351-P353 WeakPolarHBondContact O-CD 3.47Å
352	K	94.1	Very high	96.9	Very high	64 Å²	64	40.3 Å²	40.3	28%	0.278	21%	0.21	S	C	.	.			trans	-122.9	82.4	-170.2	-57.4	-168.9	-171.5	-173.1	0	112.3	S319 L321 A347 F348 V354	S319-K352 WeakPolarHBondContact O-CA 3.37Å; S319-K352 WeakPolarHBondContact OG-CE 3.5Å; S319-K352 WeakPolarHBondContact OG-CG 3.44Å; L321-K352 HydrophobicContact CB-CD 4.29Å; A347-K352 CarbonylContact C-O 3.38Å; A347-K352 HydrophobicContact CB-CB 3.78Å; A347-K352 HydrophobicContact CB-CD 4.32Å; A347-K352 CarbonylContact O-C 3.55Å; A347-K352 WeakPolarHBondContact O-CB 3.15Å; A347-K352 PolarHBondContact O-N 3.31Å; A347-K352 VanDerWaalsContact O-N 3.1Å; F348-K352 WeakPolarHBondContact CD1-O 3.38Å; K352-V354 PolarHBondContact O-N 3.07Å
353	P	94.8	Very high	96.9	Very high	23 Å²	23	32.6 Å²	32.6	15%	0.149	18%	0.181	C	C	.	.			trans	-76	0.4	178.6	33.3	-33.8	0	0	0	112.9	R316 A318 D351 T385 F386	R316-P353 HydrophobicContact CB-CG 4.13Å; R316-P353 HydrophobicContact CG-CG 4.31Å; A318-P353 HydrophobicContact CB-CG 3.73Å; D351-P353 WeakPolarHBondContact O-CD 3.47Å; P353-T385 CarbonylContact O-C 3.54Å; P353-T385 VanDerWaalsContact O-CA 3.22Å; P353-T385 WeakPolarHBondContact O-CA 3.49Å; P353-T385 WeakPolarHBondContact O-CB 3.31Å; P353-F386 PolarHBondContact O-N 2.75Å
354	V	98.3	Very high	96.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	133.1	-176.6	-169.2	0	0	0	0	110.5	A309 F312 V320 L321 K352 F386	A309-V354 HydrophobicContact CB-CG1 3.7Å; F312-V354 HydrophobicContact CB-CG2 4.37Å; F312-V354 HydrophobicContact CD1-CG2 3.44Å; F312-V354 VanDerWaalsContact CD1-CG2 3.44Å; F312-V354 HydrophobicContact CE1-CG2 4.15Å; F312-V354 HydrophobicContact CG-CG2 4.29Å; V320-V354 HydrophobicContact CG1-CB 4.42Å; V320-V354 HydrophobicContact CG1-CG1 4.29Å; V320-V354 HydrophobicContact CG2-CB 4.36Å; L321-V354 PolarHBondContact N-O 3.1Å; K352-V354 PolarHBondContact O-N 3.07Å; V354-F386 CarbonylContact C-O 3.45Å; V354-F386 VanDerWaalsContact CA-O 3.27Å; V354-F386 WeakPolarHBondContact CA-O 3.39Å; V354-F386 HydrophobicContact CG1-CB 4.36Å; V354-F386 HydrophobicContact CG1-CD1 3.65Å; V354-F386 HydrophobicContact CG1-CE1 4.25Å; V354-F386 HydrophobicContact CG1-CG 4.23Å; V354-F386 HydrophobicContact CG2-CB 4.38Å; V354-F386 HydrophobicContact CG2-CD1 4.33Å
355	A	98.6	Very high	96.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.7	173.2	0	0	0	0	0	111.1	L321 L344 F348 I357 F386 L387 I388	L321-A355 HydrophobicContact CB-CB 4.24Å; L321-A355 HydrophobicContact CD2-CB 4.26Å; L321-A355 CarbonylContact O-C 3.58Å; L321-A355 WeakPolarHBondContact O-CA 3.27Å; L344-A355 HydrophobicContact CD2-CB 3.75Å; F348-A355 HydrophobicContact CE1-CB 4.18Å; F348-A355 HydrophobicContact CZ-CB 3.85Å; A355-I357 HydrophobicContact CB-CD1 4.05Å; A355-F386 PolarHBondContact N-O 3.03Å; A355-L387 WeakPolarHBondContact O-CA 3.3Å; A355-I388 WeakPolarHBondContact O-CG2 3.31Å; A355-I388 PolarHBondContact O-N 3.45Å
356	V	98.8	Very high	96.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	117.8	170.3	-171.8	0	0	0	0	108.7	A305 A309 V320 L321 I323 H358 I388	A305-V356 HydrophobicContact CB-CG1 3.99Å; A309-V356 HydrophobicContact CB-CG2 3.44Å; A309-V356 VanDerWaalsContact CB-CG2 3.44Å; V320-V356 HydrophobicContact CG1-CG2 3.64Å; L321-V356 PolarHBondContact O-N 3.05Å; I323-V356 PolarHBondContact N-O 2.96Å; V356-H358 WeakPolarHBondContact CG1-CE1 3.46Å; V356-H358 WeakPolarHBondContact CG1-NE2 3.23Å; V356-I388 CarbonylContact C-O 3.52Å; V356-I388 WeakPolarHBondContact CA-O 3.29Å; V356-I388 HydrophobicContact CB-CG2 3.99Å; V356-I388 HydrophobicContact CG1-CG2 4.05Å; V356-I388 HydrophobicContact CG2-CG2 3.58Å
357	I	98.8	Very high	96.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	99.5	175.1	-60.4	78.2	0	0	0	106.9	I323 A355 L360 L363 F371 L387 I388 F389 T390	I323-I357 HydrophobicContact CB-CG1 4.48Å; I323-I357 HydrophobicContact CD1-CG1 4.45Å; A355-I357 HydrophobicContact CB-CD1 4.05Å; I357-L360 HydrophobicContact CG2-CD1 4.46Å; I357-L363 HydrophobicContact CG2-CD1 4.14Å; I357-F371 HydrophobicContact CD1-CE1 4.4Å; I357-F371 HydrophobicContact CG1-CE1 3.96Å; I357-F371 HydrophobicContact CG1-CZ 3.94Å; I357-F371 HydrophobicContact CG2-CZ 4.07Å; I357-L387 HydrophobicContact CD1-CB 4.46Å; I357-L387 HydrophobicContact CD1-CD2 4.31Å; I357-I388 PolarHBondContact N-O 3.26Å; I357-F389 HydrophobicContact CB-CD1 3.61Å; I357-F389 HydrophobicContact CB-CE1 4.02Å; I357-F389 HydrophobicContact CB-CG 4.48Å; I357-F389 HydrophobicContact CD1-CD1 4.13Å; I357-F389 HydrophobicContact CD1-CE1 3.83Å; I357-F389 HydrophobicContact CD1-CZ 4.3Å; I357-F389 HydrophobicContact CG1-CD1 4Å; I357-F389 HydrophobicContact CG1-CE1 3.86Å; I357-F389 HydrophobicContact CG2-CD1 3.95Å; I357-F389 HydrophobicContact CG2-CE1 4.37Å; I357-F389 CarbonylContact O-C 3.59Å; I357-F389 WeakPolarHBondContact O-CA 3.32Å; I357-T390 PolarHBondContact O-N 2.92Å
358	H	98.7	Very high	96.1	Very high	11 Å²	11	26.1 Å²	26.1	5%	0.051	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	144.6	176.9	-66.7	-66.3	0	0	0	110.8	H322 I323 G325 V356 L360 T390	H322-H358 AromaticContact ND1-NE2 3.56Å; I323-H358 PolarHBondContact O-N 3.38Å; G325-H358 VanDerWaalsContact CA-O 3.3Å; G325-H358 WeakPolarHBondContact CA-O 3.32Å; G325-H358 PolarHBondContact N-O 2.72Å; V356-H358 WeakPolarHBondContact CG1-CE1 3.46Å; V356-H358 WeakPolarHBondContact CG1-NE2 3.23Å; H358-L360 PolarHBondContact O-N 2.99Å; H358-T390 VanDerWaalsContact CA-OG1 3.28Å; H358-T390 WeakPolarHBondContact CA-OG1 3.38Å
359	R	98.4	Very high	96.1	Very high	28 Å²	28	26.2 Å²	26.2	11%	0.106	15%	0.147	C	C	.	.			trans	49.2	59.1	174.9	-52.5	-63.5	-53.5	-75.6	-20.4	112.7	E298 A326 E361 E362 T390 L392	E298-R359 IonicContact OE1-NH1 2.86Å; E298-R359 PolarHBondContact OE1-NH1 3.42Å; A326-R359 HydrophobicContact CB-CB 4.14Å; A326-R359 HydrophobicContact CB-CG 4.07Å; R359-E361 WeakPolarHBondContact CA-OE2 3.36Å; R359-E361 IonicContact CZ-OE1 3.73Å; R359-E361 IonicContact NE-OE1 2.83Å; R359-E361 PolarHBondContact NE-OE1 3.23Å; R359-E361 IonicContact NH2-OE1 2.8Å; R359-E361 PolarHBondContact NH2-OE1 3.05Å; R359-E361 PolarHBondContact O-N 3.42Å; R359-E362 HydrophobicContact CB-CB 4.28Å; R359-E362 HydrophobicContact CB-CG 4.01Å; R359-E362 IonicContact NH2-OE1 3.15Å; R359-E362 PolarHBondContact NH2-OE1 3.05Å; R359-E362 PolarHBondContact O-N 3.32Å; R359-E362 VanDerWaalsContact O-N 3.09Å; R359-T390 WeakPolarHBondContact CA-O 3.22Å; R359-T390 PolarHBondContact N-O 3.19Å; R359-T390 PolarHBondContact N-OG1 3.11Å; R359-L392 VanDerWaalsContact CZ-CD2 3.49Å
360	L	98.4	Very high	96.2	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-54.9	-38.4	-177.8	172.7	63.8	0	0	0	112	I357 H358 E362 L363 T368 F371 F389 T390 V391 L416 F420 I444	I357-L360 HydrophobicContact CG2-CD1 4.46Å; H358-L360 PolarHBondContact O-N 2.99Å; L360-E362 PolarHBondContact O-N 2.78Å; L360-L363 HydrophobicContact CD1-CD1 4.06Å; L360-L363 PolarHBondContact O-N 3.27Å; L360-T368 HydrophobicContact CD1-CG2 4.31Å; L360-F371 HydrophobicContact CD1-CD2 4.36Å; L360-F371 HydrophobicContact CD1-CE2 3.8Å; L360-F389 HydrophobicContact CD1-CD1 4.1Å; L360-F389 HydrophobicContact CD2-CB 4.16Å; L360-F389 HydrophobicContact CD2-CD1 4.01Å; L360-F389 HydrophobicContact CD2-CG 4.25Å; L360-F389 HydrophobicContact CG-CD1 4.46Å; L360-T390 PolarHBondContact N-O 2.94Å; L360-V391 HydrophobicContact CB-CG2 4.16Å; L360-V391 HydrophobicContact CD2-CG2 4.24Å; L360-L416 HydrophobicContact CD2-CD1 4.41Å; L360-F420 HydrophobicContact CG-CZ 4.29Å; L360-F420 WeakPolarHBondContact O-CZ 3.3Å; L360-I444 HydrophobicContact CD2-CD1 3.82Å
361	E	97.6	Very high	96.4	Very high	6 Å²	6	18.5 Å²	18.5	3%	0.028	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-63.8	-16.3	-179.6	76.1	-74.4	175.8	0	0	114.5	R359 V391 L392 Y415 L416 R419	R359-E361 WeakPolarHBondContact CA-OE2 3.36Å; R359-E361 IonicContact CZ-OE1 3.73Å; R359-E361 IonicContact NE-OE1 2.83Å; R359-E361 PolarHBondContact NE-OE1 3.23Å; R359-E361 IonicContact NH2-OE1 2.8Å; R359-E361 PolarHBondContact NH2-OE1 3.05Å; R359-E361 PolarHBondContact O-N 3.42Å; E361-V391 HydrophobicContact CB-CG1 4.49Å; E361-V391 WeakPolarHBondContact OE2-CA 3.41Å; E361-L392 WeakPolarHBondContact OE1-CB 3.5Å; E361-L392 PolarHBondContact OE1-N 3.33Å; E361-L392 PolarHBondContact OE2-N 3.21Å; E361-Y415 HydrophobicContact CB-CE1 3.93Å; E361-Y415 HydrophobicContact CG-CE1 3.9Å; E361-L416 HydrophobicContact CB-CD2 3.79Å; E361-R419 HydrophobicContact CB-CG 4.29Å
362	E	97.1	Very high	96.7	Very high	53 Å²	53	16.9 Å²	16.9	25%	0.248	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-94.7	-10.1	-179.8	-63.8	-70.3	175.5	0	0	112.6	A326 A329 R359 L360	A326-E362 HydrophobicContact CB-CB 4.48Å; A326-E362 HydrophobicContact CB-CG 4.35Å; A329-E362 WeakPolarHBondContact CA-O 3.39Å; A329-E362 HydrophobicContact CB-CB 4.42Å; R359-E362 HydrophobicContact CB-CB 4.28Å; R359-E362 HydrophobicContact CB-CG 4.01Å; R359-E362 IonicContact NH2-OE1 3.15Å; R359-E362 PolarHBondContact NH2-OE1 3.05Å; R359-E362 PolarHBondContact O-N 3.32Å; R359-E362 VanDerWaalsContact O-N 3.09Å; L360-E362 PolarHBondContact O-N 2.78Å
363	L	96.9	Very high	96.9	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.016	9%	0.089	C	C	.	.	S	Bend	trans	-66.7	142.1	176.3	-75.1	177.9	0	0	0	110.7	K328 V336 I340 I357 L360 T368 F371	K328-L363 HydrophobicContact CB-CD2 3.93Å; K328-L363 HydrophobicContact CD-CD2 3.8Å; V336-L363 HydrophobicContact CG1-CD2 4.12Å; I340-L363 HydrophobicContact CD1-CD1 3.98Å; I340-L363 HydrophobicContact CD1-CD2 3.93Å; I357-L363 HydrophobicContact CG2-CD1 4.14Å; L360-L363 HydrophobicContact CD1-CD1 4.06Å; L360-L363 PolarHBondContact O-N 3.27Å; L363-T368 HydrophobicContact CB-CG2 3.68Å; L363-T368 HydrophobicContact CD1-CG2 4.21Å; L363-F371 HydrophobicContact CD1-CE2 3.97Å; L363-F371 HydrophobicContact CD1-CZ 4.18Å
364	P	94.8	Very high	97.1	Very high	13 Å²	13	17.7 Å²	17.7	8%	0.084	8%	0.082	C	C	.	.			trans	-51.7	127.9	170.5	-27.4	35.3	0	0	0	110.3	K328 Q331 V336 G366 S367	K328-P364 WeakPolarHBondContact O-CD 3.33Å; Q331-P364 WeakPolarHBondContact O-CG 3.27Å; V336-P364 HydrophobicContact CB-CG 4.31Å; V336-P364 HydrophobicContact CG1-CG 4.47Å; V336-P364 HydrophobicContact CG2-CG 4.08Å; P364-G366 VanDerWaalsContact C-N 3.34Å; P364-G366 PolarHBondContact O-N 2.83Å; P364-S367 WeakPolarHBondContact O-CB 3.49Å; P364-S367 PolarHBondContact O-N 3.44Å; P364-S367 PolarHBondContact O-OG 3.5Å
365	P	93.8	Very high	97	Very high	47 Å²	47	17.7 Å²	17.7	31%	0.305	8%	0.082	S	C	.	.	G	3₁₀ helix	trans	-55.6	-42.3	-167.7	-30.4	35.5	0	0	0	114.4	S367 T368 F420 M432	P365-S367 PolarHBondContact O-N 3.16Å; P365-T368 PolarHBondContact O-N 2.91Å; P365-T368 PolarHBondContact O-OG1 2.8Å; P365-F420 HydrophobicContact CB-CB 4.08Å; P365-F420 HydrophobicContact CB-CD1 4.17Å; P365-F420 HydrophobicContact CB-CG 4.36Å; P365-F420 WeakPolarHBondContact CB-O 3.1Å; P365-F420 HydrophobicContact CG-CB 4.39Å; P365-F420 HydrophobicContact CG-CD1 4.05Å; P365-M432 HydrophobicContact CB-CB 3.68Å; P365-M432 HydrophobicContact CB-CG 4.42Å; P365-M432 WeakPolarHBondContact O-CE 3.34Å
366	G	92.9	Very high	96.8	Very high	5 Å²	5	18.4 Å²	18.4	5%	0.052	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-65.4	-26.1	178.5	0	0	0	0	0	113.7	S333 P364 T368 L369 D430	S333-G366 WeakPolarHBondContact OG-CA 3.39Å; S333-G366 PolarHBondContact OG-N 3.26Å; P364-G366 VanDerWaalsContact C-N 3.34Å; P364-G366 PolarHBondContact O-N 2.83Å; G366-T368 VanDerWaalsContact C-N 3.34Å; G366-T368 PolarHBondContact O-N 2.93Å; G366-L369 WeakPolarHBondContact O-CB 3.4Å; G366-L369 WeakPolarHBondContact O-CG 3.2Å; G366-L369 PolarHBondContact O-N 3.25Å; G366-D430 WeakPolarHBondContact CA-O 3.45Å
367	S	95.6	Very high	96.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-71.8	-29.7	-179.6	77.2	0	0	0	0	112.4	S333 P364 P365 L369 I370	S333-S367 VanDerWaalsContact O-CB 3.32Å; S333-S367 WeakPolarHBondContact O-CB 3.42Å; S333-S367 PolarHBondContact OG-N 2.83Å; P364-S367 WeakPolarHBondContact O-CB 3.49Å; P364-S367 PolarHBondContact O-N 3.44Å; P364-S367 PolarHBondContact O-OG 3.5Å; P365-S367 PolarHBondContact O-N 3.16Å; S367-L369 PolarHBondContact O-N 3.41Å; S367-I370 WeakPolarHBondContact O-CB 3.38Å; S367-I370 WeakPolarHBondContact O-CG2 3.29Å; S367-I370 PolarHBondContact O-N 3.41Å; S367-I370 VanDerWaalsContact O-N 3.12Å
368	T	96.9	Very high	95.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-68.9	-17.8	-179.5	70.7	0	0	0	0	112.5	L360 L363 P365 G366 I370 F371 F420 M432 L440	L360-T368 HydrophobicContact CD1-CG2 4.31Å; L363-T368 HydrophobicContact CB-CG2 3.68Å; L363-T368 HydrophobicContact CD1-CG2 4.21Å; P365-T368 PolarHBondContact O-N 2.91Å; P365-T368 PolarHBondContact O-OG1 2.8Å; G366-T368 VanDerWaalsContact C-N 3.34Å; G366-T368 PolarHBondContact O-N 2.93Å; T368-I370 PolarHBondContact O-N 3.3Å; T368-F371 WeakPolarHBondContact O-CB 3.37Å; T368-F371 WeakPolarHBondContact O-CD2 3.3Å; T368-F371 PolarHBondContact O-N 2.83Å; T368-F420 HydrophobicContact CG2-CE1 4.17Å; T368-F420 HydrophobicContact CG2-CE2 4.26Å; T368-F420 HydrophobicContact CG2-CZ 3.79Å; T368-M432 WeakPolarHBondContact OG1-CE 3.37Å; T368-L440 WeakPolarHBondContact OG1-CD2 3.43Å
369	L	95.8	Very high	95	Very high	24 Å²	24	33.3 Å²	33.3	13%	0.126	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-59.1	-18.4	171.6	-60.9	178.4	0	0	0	112.6	G366 S367 F371 Y372 M432 K436	G366-L369 WeakPolarHBondContact O-CB 3.4Å; G366-L369 WeakPolarHBondContact O-CG 3.2Å; G366-L369 PolarHBondContact O-N 3.25Å; S367-L369 PolarHBondContact O-N 3.41Å; L369-F371 PolarHBondContact O-N 2.81Å; L369-Y372 HydrophobicContact CD2-CD2 4.29Å; L369-Y372 HydrophobicContact CD2-CE2 3.85Å; L369-Y372 WeakPolarHBondContact O-CB 3.12Å; L369-Y372 WeakPolarHBondContact O-CD2 3.4Å; L369-Y372 PolarHBondContact O-N 2.81Å; L369-Y372 VanDerWaalsContact O-N 3.15Å; L369-M432 HydrophobicContact CD2-CE 3.46Å; L369-M432 VanDerWaalsContact CD2-CE 3.46Å; L369-M432 HydrophobicContact CD2-SD 3.85Å; L369-M432 HydrophobicContact CG-CE 3.91Å; L369-K436 HydrophobicContact CD1-CD 4.04Å; L369-K436 HydrophobicContact CD2-CB 3.82Å; L369-K436 HydrophobicContact CD2-CD 4.38Å
370	I	97.3	Very high	94.9	Very high	13 Å²	13	32.2 Å²	32.2	7%	0.067	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-57.4	-30.1	172	-164.3	52.9	0	0	0	112.5	K337 I340 D341 S367 T368 Y372 R373 Y374	K337-I370 HydrophobicContact CG-CB 4.09Å; K337-I370 HydrophobicContact CG-CD1 4.43Å; I340-I370 HydrophobicContact CB-CG2 4.25Å; I340-I370 HydrophobicContact CG2-CG1 4.46Å; I340-I370 HydrophobicContact CG2-CG2 3.63Å; D341-I370 HydrophobicContact CB-CD1 3.72Å; D341-I370 HydrophobicContact CB-CG1 4.02Å; S367-I370 WeakPolarHBondContact O-CB 3.38Å; S367-I370 WeakPolarHBondContact O-CG2 3.29Å; S367-I370 PolarHBondContact O-N 3.41Å; S367-I370 VanDerWaalsContact O-N 3.12Å; T368-I370 PolarHBondContact O-N 3.3Å; I370-Y372 PolarHBondContact O-N 2.96Å; I370-R373 WeakPolarHBondContact O-CB 3.4Å; I370-R373 PolarHBondContact O-N 3.46Å; I370-Y374 HydrophobicContact CD1-CE2 4.07Å; I370-Y374 HydrophobicContact CG1-CD2 4.13Å; I370-Y374 HydrophobicContact CG1-CE2 3.84Å; I370-Y374 WeakPolarHBondContact O-CD2 3.42Å
371	F	97.9	Very high	94.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-69.6	-13.3	-178.7	-60.4	-58.3	0	0	0	113.4	I340 L344 I357 L360 L363 T368 L369 R373 Y374 C375 F389 L440 I444	I340-F371 HydrophobicContact CG2-CE1 4.3Å; I340-F371 HydrophobicContact CG2-CZ 4.4Å; L344-F371 HydrophobicContact CD1-CE1 4.19Å; I357-F371 HydrophobicContact CD1-CE1 4.4Å; I357-F371 HydrophobicContact CG1-CE1 3.96Å; I357-F371 HydrophobicContact CG1-CZ 3.94Å; I357-F371 HydrophobicContact CG2-CZ 4.07Å; L360-F371 HydrophobicContact CD1-CD2 4.36Å; L360-F371 HydrophobicContact CD1-CE2 3.8Å; L363-F371 HydrophobicContact CD1-CE2 3.97Å; L363-F371 HydrophobicContact CD1-CZ 4.18Å; T368-F371 WeakPolarHBondContact O-CB 3.37Å; T368-F371 WeakPolarHBondContact O-CD2 3.3Å; T368-F371 PolarHBondContact O-N 2.83Å; L369-F371 PolarHBondContact O-N 2.81Å; F371-R373 VanDerWaalsContact C-N 3.26Å; F371-R373 PolarHBondContact O-N 3.3Å; F371-Y374 PolarHBondContact O-N 3.3Å; F371-C375 VanDerWaalsContact O-CB 3.3Å; F371-C375 WeakPolarHBondContact O-CB 3.4Å; F371-C375 PolarHBondContact O-N 2.92Å; F371-F389 AromaticContact CD1-CE1 3.87Å; F371-F389 HydrophobicContact CD1-CE1 3.87Å; F371-F389 HydrophobicContact CD1-CZ 4.04Å; F371-F389 HydrophobicContact CD2-CE1 4.15Å; F371-F389 AromaticContact CE1-CE1 3.74Å; F371-F389 HydrophobicContact CE1-CE1 3.74Å; F371-F389 HydrophobicContact CE1-CZ 4.3Å; F371-F389 HydrophobicContact CE2-CE1 4.04Å; F371-F389 HydrophobicContact CG-CE1 4.09Å; F371-F389 HydrophobicContact CG-CZ 4.3Å; F371-F389 AromaticContact CZ-CE1 3.85Å; F371-F389 HydrophobicContact CZ-CE1 3.85Å; F371-L440 HydrophobicContact CB-CD1 3.78Å; F371-I444 HydrophobicContact CB-CG2 4.35Å
372	Y	96.3	Very high	94.7	Very high	65 Å²	65	36.1 Å²	36.1	26%	0.255	18%	0.182	S	C	.	.	H	α-helix	trans	-55.3	-45.1	164.7	-87	-103.9	0	0	0	111.3	L369 I370 Y374 D376 K436 G439 L440	L369-Y372 HydrophobicContact CD2-CD2 4.29Å; L369-Y372 HydrophobicContact CD2-CE2 3.85Å; L369-Y372 WeakPolarHBondContact O-CB 3.12Å; L369-Y372 WeakPolarHBondContact O-CD2 3.4Å; L369-Y372 PolarHBondContact O-N 2.81Å; L369-Y372 VanDerWaalsContact O-N 3.15Å; I370-Y372 PolarHBondContact O-N 2.96Å; Y372-Y374 VanDerWaalsContact C-N 3.26Å; Y372-Y374 PolarHBondContact O-N 2.99Å; Y372-D376 VanDerWaalsContact O-CB 3.29Å; Y372-D376 WeakPolarHBondContact O-CB 3.45Å; Y372-D376 PolarHBondContact O-N 3.18Å; Y372-K436 WeakPolarHBondContact OH-CA 3.12Å; Y372-K436 PolarHBondContact OH-O 3.21Å; Y372-G439 VanDerWaalsContact OH-C 3.3Å; Y372-G439 WeakPolarHBondContact OH-CA 3.15Å; Y372-L440 HydrophobicContact CD2-CB 4.45Å; Y372-L440 HydrophobicContact CE2-CB 3.82Å; Y372-L440 PolarHBondContact OH-N 2.78Å
373	R	97.2	Very high	94.6	Very high	102 Å²	102	37.3 Å²	37.3	39%	0.385	19%	0.186	S	C	.	.	H	α-helix	trans	-65.6	-31.3	-179.4	-178.4	178.5	177.6	-177	0.1	112.5	D341 I370 F371 A380 A381	D341-R373 VanDerWaalsContact CG-NH1 3.27Å; D341-R373 IonicContact OD1-CZ 2.9Å; D341-R373 IonicContact OD1-NH1 2.71Å; D341-R373 PolarHBondContact OD1-NH1 2.92Å; D341-R373 IonicContact OD2-NH1 3.18Å; D341-R373 PolarHBondContact OD2-NH1 3.29Å; I370-R373 WeakPolarHBondContact O-CB 3.4Å; I370-R373 PolarHBondContact O-N 3.46Å; F371-R373 VanDerWaalsContact C-N 3.26Å; F371-R373 PolarHBondContact O-N 3.3Å; R373-A380 WeakPolarHBondContact O-CA 3.43Å; R373-A381 HydrophobicContact CG-CB 3.97Å; R373-A381 PolarHBondContact O-N 3.14Å
374	Y	98.1	Very high	94.6	Very high	1 Å²	1	42.5 Å²	42.5	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-104.3	-14.9	-169.7	-68.5	-81.6	0	0	0	114.8	P286 D341 L344 Q345 F348 I370 F371 Y372 Y382	P286-Y374 VanDerWaalsContact CG-O 3.23Å; P286-Y374 WeakPolarHBondContact CG-O 3.31Å; D341-Y374 PolarHBondContact O-OH 2.96Å; D341-Y374 VanDerWaalsContact OD1-CE2 3.31Å; D341-Y374 WeakPolarHBondContact OD1-CE2 3.5Å; D341-Y374 PolarHBondContact OD1-OH 3.02Å; L344-Y374 HydrophobicContact CB-CD1 4.06Å; L344-Y374 HydrophobicContact CB-CE1 3.51Å; L344-Y374 HydrophobicContact CB-CE2 4.04Å; L344-Y374 HydrophobicContact CD1-CD1 4.16Å; L344-Y374 HydrophobicContact CD1-CD2 3.56Å; L344-Y374 HydrophobicContact CD1-CE1 4.26Å; L344-Y374 HydrophobicContact CD1-CE2 3.7Å; L344-Y374 HydrophobicContact CD1-CG 3.81Å; L344-Y374 HydrophobicContact CG-CE1 4.48Å; Q345-Y374 PolarHBondContact N-OH 3.48Å; F348-Y374 AromaticContact CD2-CD1 3.81Å; F348-Y374 HydrophobicContact CD2-CD1 3.81Å; F348-Y374 AromaticContact CD2-CE1 3.85Å; F348-Y374 HydrophobicContact CD2-CE1 3.85Å; F348-Y374 AromaticContact CE2-CD1 3.67Å; F348-Y374 HydrophobicContact CE2-CD1 3.67Å; F348-Y374 HydrophobicContact CE2-CE1 4.09Å; I370-Y374 HydrophobicContact CD1-CE2 4.07Å; I370-Y374 HydrophobicContact CG1-CD2 4.13Å; I370-Y374 HydrophobicContact CG1-CE2 3.84Å; I370-Y374 WeakPolarHBondContact O-CD2 3.42Å; F371-Y374 PolarHBondContact O-N 3.3Å; Y372-Y374 VanDerWaalsContact C-N 3.26Å; Y372-Y374 PolarHBondContact O-N 2.99Å; Y374-Y382 AromaticContact CD1-CD2 3.94Å; Y374-Y382 HydrophobicContact CD1-CD2 3.94Å; Y374-Y382 HydrophobicContact CD1-CE2 4.42Å; Y374-Y382 AromaticContact CE1-CD2 3.66Å; Y374-Y382 HydrophobicContact CE1-CD2 3.66Å; Y374-Y382 AromaticContact CE1-CE2 3.68Å; Y374-Y382 HydrophobicContact CE1-CE2 3.68Å
375	C	97.4	Very high	94.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-124.9	8.7	-176	-55.7	0	0	0	0	113.1	F371 R443 I444	F371-C375 VanDerWaalsContact O-CB 3.3Å; F371-C375 WeakPolarHBondContact O-CB 3.4Å; F371-C375 PolarHBondContact O-N 2.92Å; C375-R443 HydrophobicContact CB-CB 4.01Å; C375-R443 WeakPolarHBondContact O-CB 3.32Å; C375-I444 HydrophobicContact CB-CG2 4.14Å
376	D	93.3	Very high	94.8	Very high	15 Å²	15	39.9 Å²	39.9	8%	0.08	19%	0.191	C	C	.	.			trans	-64.7	141.3	177.8	-167	79.8	0	0	0	112.7	Y372 E378 N379 A380 R443	Y372-D376 VanDerWaalsContact O-CB 3.29Å; Y372-D376 WeakPolarHBondContact O-CB 3.45Å; Y372-D376 PolarHBondContact O-N 3.18Å; D376-E378 VanDerWaalsContact C-N 3.3Å; D376-E378 PolarHBondContact O-N 3.32Å; D376-E378 PolarHBondContact OD2-N 2.87Å; D376-N379 WeakPolarHBondContact OD2-CB 3.47Å; D376-N379 PolarHBondContact OD2-N 3.46Å; D376-A380 HydrophobicContact CB-CB 4.45Å; D376-A380 WeakPolarHBondContact O-CB 3.4Å; D376-R443 IonicContact OD1-CZ 2.66Å; D376-R443 IonicContact OD1-NE 2.87Å; D376-R443 PolarHBondContact OD1-NE 3.27Å; D376-R443 IonicContact OD1-NH2 2.79Å; D376-R443 PolarHBondContact OD1-NH2 3.46Å
377	H	86.1	Confident	95.1	Very high	83 Å²	83	39.7 Å²	39.7	38%	0.384	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.9	-175.6	55.3	-82.7	0	0	0	113.7	E285	E285-H377 WeakPolarHBondContact OE2-CA 3.43Å; E285-H377 VanDerWaalsContact OE2-CB 3.22Å; E285-H377 WeakPolarHBondContact OE2-CB 3.35Å
378	E	80.4	Confident	95.2	Very high	121 Å²	121	39.7 Å²	39.7	57%	0.565	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.6	-43.8	178.9	-69.7	-179.1	-177	0	0	112.6	D376 K383	D376-E378 VanDerWaalsContact C-N 3.3Å; D376-E378 PolarHBondContact O-N 3.32Å; D376-E378 PolarHBondContact OD2-N 2.87Å; E378-K383 WeakPolarHBondContact O-CE 3.21Å; E378-K383 PolarHBondContact O-NZ 3.01Å
379	N	92.6	Very high	95.3	Very high	121 Å²	121	39.7 Å²	39.7	65%	0.647	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.6	16.9	-164	-58.9	-63.6	0	0	0	113.2	D376 A381	D376-N379 WeakPolarHBondContact OD2-CB 3.47Å; D376-N379 PolarHBondContact OD2-N 3.46Å; N379-A381 PolarHBondContact O-N 2.6Å
380	A	95.9	Very high	95.5	Very high	5 Å²	5	38.6 Å²	38.6	4%	0.041	18%	0.183	C	C	.	.			trans	-54.6	132.8	175.1	0	0	0	0	0	110.6	P286 R373 D376 Y382	P286-A380 HydrophobicContact CG-CB 4.02Å; R373-A380 WeakPolarHBondContact O-CA 3.43Å; D376-A380 HydrophobicContact CB-CB 4.45Å; D376-A380 WeakPolarHBondContact O-CB 3.4Å; A380-Y382 PolarHBondContact O-N 2.86Å
381	A	96.1	Very high	95.6	Very high	48 Å²	48	38 Å²	38	40%	0.397	18%	0.18	S	C	.	.	S	Bend	trans	-59.5	-34.3	-177.5	0	0	0	0	0	112.3	R373 N379	R373-A381 HydrophobicContact CG-CB 3.97Å; R373-A381 PolarHBondContact O-N 3.14Å; N379-A381 PolarHBondContact O-N 2.6Å
382	Y	96.7	Very high	95.6	Very high	40 Å²	40	38.4 Å²	38.4	16%	0.157	18%	0.182	C	C	.	.			trans	-132.4	102.5	-179.7	-55.6	-89.2	0	0	0	111	Q345 F348 E349 Y374 A380 T385	Q345-Y382 WeakPolarHBondContact CG-OH 3.42Å; F348-Y382 HydrophobicContact CB-CD1 3.51Å; F348-Y382 HydrophobicContact CB-CD2 3.81Å; F348-Y382 HydrophobicContact CB-CE1 3.89Å; F348-Y382 HydrophobicContact CB-CE2 4.17Å; F348-Y382 HydrophobicContact CB-CG 3.48Å; F348-Y382 VanDerWaalsContact CB-CG 3.48Å; F348-Y382 AromaticContact CD2-CD2 3.68Å; F348-Y382 HydrophobicContact CD2-CD2 3.68Å; F348-Y382 HydrophobicContact CD2-CE2 4.34Å; F348-Y382 AromaticContact CD2-CG 3.96Å; F348-Y382 HydrophobicContact CD2-CG 3.96Å; F348-Y382 HydrophobicContact CG-CD2 4.19Å; F348-Y382 HydrophobicContact CG-CG 4.07Å; E349-Y382 HydrophobicContact CG-CE1 3.71Å; E349-Y382 WeakPolarHBondContact CG-OH 3.35Å; E349-Y382 PolarHBondContact OE1-OH 2.86Å; Y374-Y382 AromaticContact CD1-CD2 3.94Å; Y374-Y382 HydrophobicContact CD1-CD2 3.94Å; Y374-Y382 HydrophobicContact CD1-CE2 4.42Å; Y374-Y382 AromaticContact CE1-CD2 3.66Å; Y374-Y382 HydrophobicContact CE1-CD2 3.66Å; Y374-Y382 AromaticContact CE1-CE2 3.68Å; Y374-Y382 HydrophobicContact CE1-CE2 3.68Å; A380-Y382 PolarHBondContact O-N 2.86Å; Y382-T385 VanDerWaalsContact CB-CG2 3.49Å; Y382-T385 PolarHBondContact O-OG1 2.68Å
383	K	95.8	Very high	95.7	Very high	78 Å²	78	35.3 Å²	35.3	34%	0.339	17%	0.17	S	C	.	.	S	Bend	trans	-81.8	-24.3	-173.1	-59.1	177.8	173.3	-154	0	113.9	H277 P283 T284 E285 E378 T385	H277-K383 PolarHBondContact CE1-O 2.95Å; H277-K383 PolarHBondContact NE2-O 2.98Å; P283-K383 HydrophobicContact CG-CB 4.49Å; P283-K383 VanDerWaalsContact CG-O 3.26Å; P283-K383 WeakPolarHBondContact CG-O 3.42Å; P283-K383 VanDerWaalsContact O-CB 3.3Å; P283-K383 WeakPolarHBondContact O-CB 3.41Å; T284-K383 WeakPolarHBondContact O-CD 3.14Å; T284-K383 VanDerWaalsContact O-CE 3.27Å; T284-K383 WeakPolarHBondContact O-CE 3.41Å; T284-K383 PolarHBondContact O-NZ 2.79Å; E285-K383 CarbonylContact C-O 3.6Å; E378-K383 WeakPolarHBondContact O-CE 3.21Å; E378-K383 PolarHBondContact O-NZ 3.01Å; K383-T385 PolarHBondContact O-N 3.04Å
384	K	95	Very high	95.6	Very high	112 Å²	112	32.2 Å²	32.2	49%	0.487	17%	0.17	S	C	.	.	S	Bend	trans	-91.5	43.7	179.4	-69.1	-179	176.4	-173.7	0	111.9	S281 P283	S281-K384 WeakPolarHBondContact O-CE 3.31Å; S281-K384 PolarHBondContact O-NZ 3.19Å; P283-K384 HydrophobicContact CG-CB 4.41Å; P283-K384 HydrophobicContact CG-CG 3.64Å
385	T	96.4	Very high	95.3	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.031	19%	0.193	C	C	.	.			trans	-129.3	156.3	-173.9	65.6	0	0	0	0	111.9	P286 V287 F348 P353 Y382 K383	P286-T385 WeakPolarHBondContact CA-O 3.48Å; P286-T385 VanDerWaalsContact CB-O 3.29Å; P286-T385 WeakPolarHBondContact CB-O 3.29Å; P286-T385 WeakPolarHBondContact CB-OG1 3.31Å; V287-T385 PolarHBondContact N-O 3.22Å; F348-T385 HydrophobicContact CB-CG2 4.14Å; F348-T385 HydrophobicContact CD1-CG2 3.41Å; F348-T385 VanDerWaalsContact CD1-CG2 3.41Å; F348-T385 HydrophobicContact CD2-CG2 4.13Å; F348-T385 HydrophobicContact CE1-CG2 3.74Å; F348-T385 HydrophobicContact CE2-CG2 4.38Å; F348-T385 HydrophobicContact CG-CG2 3.65Å; F348-T385 HydrophobicContact CZ-CG2 4.21Å; P353-T385 CarbonylContact O-C 3.54Å; P353-T385 VanDerWaalsContact O-CA 3.22Å; P353-T385 WeakPolarHBondContact O-CA 3.49Å; P353-T385 WeakPolarHBondContact O-CB 3.31Å; Y382-T385 VanDerWaalsContact CB-CG2 3.49Å; Y382-T385 PolarHBondContact O-OG1 2.68Å; K383-T385 PolarHBondContact O-N 3.04Å
386	F	97.8	Very high	95.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	118.2	176.4	169.7	-145.2	0	0	0	109.2	L274 V287 L289 V308 F312 P353 V354 A355 I388	L274-F386 HydrophobicContact CD1-CE1 3.97Å; L274-F386 HydrophobicContact CD1-CZ 4.06Å; L274-F386 HydrophobicContact CD2-CD1 3.72Å; L274-F386 HydrophobicContact CD2-CD2 3.68Å; L274-F386 HydrophobicContact CD2-CE1 3.74Å; L274-F386 HydrophobicContact CD2-CE2 3.74Å; L274-F386 HydrophobicContact CD2-CG 3.7Å; L274-F386 HydrophobicContact CD2-CZ 3.76Å; V287-F386 HydrophobicContact CB-CD2 3.94Å; V287-F386 HydrophobicContact CG1-CD2 3.98Å; V287-F386 HydrophobicContact CG1-CE2 4.26Å; V287-F386 WeakPolarHBondContact O-CD2 3.34Å; L289-F386 HydrophobicContact CB-CE2 3.82Å; L289-F386 HydrophobicContact CB-CZ 4.39Å; L289-F386 HydrophobicContact CD2-CZ 4.47Å; V308-F386 HydrophobicContact CG1-CE1 4.08Å; V308-F386 HydrophobicContact CG1-CZ 4.05Å; F312-F386 HydrophobicContact CB-CD1 3.89Å; F312-F386 HydrophobicContact CB-CE1 4.25Å; F312-F386 HydrophobicContact CD1-CB 4.25Å; F312-F386 HydrophobicContact CD1-CD1 4.17Å; F312-F386 HydrophobicContact CD2-CD1 4.18Å; F312-F386 HydrophobicContact CE1-CB 4.11Å; F312-F386 AromaticContact CG-CD1 3.82Å; F312-F386 HydrophobicContact CG-CD1 3.82Å; F312-F386 HydrophobicContact CZ-CB 4.31Å; P353-F386 PolarHBondContact O-N 2.75Å; V354-F386 CarbonylContact C-O 3.45Å; V354-F386 VanDerWaalsContact CA-O 3.27Å; V354-F386 WeakPolarHBondContact CA-O 3.39Å; V354-F386 HydrophobicContact CG1-CB 4.36Å; V354-F386 HydrophobicContact CG1-CD1 3.65Å; V354-F386 HydrophobicContact CG1-CE1 4.25Å; V354-F386 HydrophobicContact CG1-CG 4.23Å; V354-F386 HydrophobicContact CG2-CB 4.38Å; V354-F386 HydrophobicContact CG2-CD1 4.33Å; A355-F386 PolarHBondContact N-O 3.03Å; F386-I388 HydrophobicContact CE2-CB 3.95Å; F386-I388 HydrophobicContact CZ-CB 3.81Å; F386-I388 HydrophobicContact CZ-CD1 4.33Å; F386-I388 HydrophobicContact CZ-CG2 4.25Å
387	L	98.6	Very high	95.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.7	175	-62.5	93.5	0	0	0	109.1	P286 V287 S288 L289 F348 A355 I357 F389	P286-L387 HydrophobicContact CB-CD1 3.98Å; P286-L387 HydrophobicContact CG-CD1 4.39Å; V287-L387 PolarHBondContact O-N 3.37Å; S288-L387 CarbonylContact C-O 3.58Å; S288-L387 WeakPolarHBondContact CA-O 3.25Å; L289-L387 PolarHBondContact N-O 3.31Å; F348-L387 HydrophobicContact CZ-CD1 4.34Å; F348-L387 HydrophobicContact CZ-CD2 4.35Å; F348-L387 HydrophobicContact CZ-CG 4.18Å; A355-L387 WeakPolarHBondContact O-CA 3.3Å; I357-L387 HydrophobicContact CD1-CB 4.46Å; I357-L387 HydrophobicContact CD1-CD2 4.31Å; L387-F389 HydrophobicContact CB-CE2 3.86Å; L387-F389 HydrophobicContact CB-CZ 4.01Å; L387-F389 HydrophobicContact CD2-CZ 4.22Å
388	I	98.7	Very high	96	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.5	173.9	177.3	168.4	0	0	0	109.4	L289 L291 A305 V308 A309 A355 V356 I357 F386	L289-I388 HydrophobicContact CB-CG1 4.46Å; L289-I388 HydrophobicContact CD2-CD1 3.54Å; L289-I388 HydrophobicContact CD2-CG1 3.87Å; L289-I388 CarbonylContact O-C 3.54Å; L289-I388 WeakPolarHBondContact O-CA 3.24Å; L291-I388 HydrophobicContact CD1-CD1 3.82Å; L291-I388 HydrophobicContact CG-CD1 4Å; L291-I388 HydrophobicContact CG-CG1 4.42Å; A305-I388 HydrophobicContact CB-CD1 3.79Å; A305-I388 HydrophobicContact CB-CG1 4.25Å; V308-I388 HydrophobicContact CB-CD1 4.38Å; V308-I388 HydrophobicContact CG1-CD1 4.47Å; A309-I388 HydrophobicContact CB-CG2 4.24Å; A355-I388 WeakPolarHBondContact O-CG2 3.31Å; A355-I388 PolarHBondContact O-N 3.45Å; V356-I388 CarbonylContact C-O 3.52Å; V356-I388 WeakPolarHBondContact CA-O 3.29Å; V356-I388 HydrophobicContact CB-CG2 3.99Å; V356-I388 HydrophobicContact CG1-CG2 4.05Å; V356-I388 HydrophobicContact CG2-CG2 3.58Å; I357-I388 PolarHBondContact N-O 3.26Å; F386-I388 HydrophobicContact CE2-CB 3.95Å; F386-I388 HydrophobicContact CZ-CB 3.81Å; F386-I388 HydrophobicContact CZ-CD1 4.33Å; F386-I388 HydrophobicContact CZ-CG2 4.25Å
389	F	98.9	Very high	96.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	144.9	178	-54.5	-89.8	0	0	0	109	L289 I290 L291 I357 L360 F371 L387 I444	L289-F389 PolarHBondContact O-N 3.25Å; I290-F389 WeakPolarHBondContact CA-O 3.42Å; I290-F389 HydrophobicContact CG1-CB 4.18Å; I290-F389 HydrophobicContact CG1-CD2 4.34Å; L291-F389 PolarHBondContact N-O 3.49Å; I357-F389 HydrophobicContact CB-CD1 3.61Å; I357-F389 HydrophobicContact CB-CE1 4.02Å; I357-F389 HydrophobicContact CB-CG 4.48Å; I357-F389 HydrophobicContact CD1-CD1 4.13Å; I357-F389 HydrophobicContact CD1-CE1 3.83Å; I357-F389 HydrophobicContact CD1-CZ 4.3Å; I357-F389 HydrophobicContact CG1-CD1 4Å; I357-F389 HydrophobicContact CG1-CE1 3.86Å; I357-F389 HydrophobicContact CG2-CD1 3.95Å; I357-F389 HydrophobicContact CG2-CE1 4.37Å; I357-F389 CarbonylContact O-C 3.59Å; I357-F389 WeakPolarHBondContact O-CA 3.32Å; L360-F389 HydrophobicContact CD1-CD1 4.1Å; L360-F389 HydrophobicContact CD2-CB 4.16Å; L360-F389 HydrophobicContact CD2-CD1 4.01Å; L360-F389 HydrophobicContact CD2-CG 4.25Å; L360-F389 HydrophobicContact CG-CD1 4.46Å; F371-F389 AromaticContact CD1-CE1 3.87Å; F371-F389 HydrophobicContact CD1-CE1 3.87Å; F371-F389 HydrophobicContact CD1-CZ 4.04Å; F371-F389 HydrophobicContact CD2-CE1 4.15Å; F371-F389 AromaticContact CE1-CE1 3.74Å; F371-F389 HydrophobicContact CE1-CE1 3.74Å; F371-F389 HydrophobicContact CE1-CZ 4.3Å; F371-F389 HydrophobicContact CE2-CE1 4.04Å; F371-F389 HydrophobicContact CG-CE1 4.09Å; F371-F389 HydrophobicContact CG-CZ 4.3Å; F371-F389 AromaticContact CZ-CE1 3.85Å; F371-F389 HydrophobicContact CZ-CE1 3.85Å; L387-F389 HydrophobicContact CB-CE2 3.86Å; L387-F389 HydrophobicContact CB-CZ 4.01Å; L387-F389 HydrophobicContact CD2-CZ 4.22Å; F389-I444 HydrophobicContact CE2-CB 4.24Å; F389-I444 HydrophobicContact CE2-CG2 4.12Å; F389-I444 HydrophobicContact CZ-CG2 4.07Å
390	T	98.9	Very high	96.9	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	134.9	166.6	70.7	0	0	0	0	109.5	L291 M301 A305 I357 H358 R359 L360	L291-T390 CarbonylContact O-C 3.45Å; L291-T390 VanDerWaalsContact O-CA 3.27Å; L291-T390 WeakPolarHBondContact O-CA 3.42Å; M301-T390 HydrophobicContact CG-CG2 4.05Å; M301-T390 HydrophobicContact SD-CG2 4.46Å; A305-T390 HydrophobicContact CB-CG2 3.6Å; I357-T390 PolarHBondContact O-N 2.92Å; H358-T390 VanDerWaalsContact CA-OG1 3.28Å; H358-T390 WeakPolarHBondContact CA-OG1 3.38Å; R359-T390 WeakPolarHBondContact CA-O 3.22Å; R359-T390 PolarHBondContact N-O 3.19Å; R359-T390 PolarHBondContact N-OG1 3.11Å; L360-T390 PolarHBondContact N-O 2.94Å
391	V	98.8	Very high	96.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	120.6	174.3	176.9	0	0	0	0	109.2	I290 L291 T292 S293 L360 E361 L393 V412 Y415 L416	I290-V391 HydrophobicContact CG2-CB 4.33Å; I290-V391 HydrophobicContact CG2-CG2 3.78Å; L291-V391 PolarHBondContact O-N 2.9Å; T292-V391 VanDerWaalsContact CA-O 3.31Å; T292-V391 WeakPolarHBondContact CA-O 3.39Å; T292-V391 PolarHBondContact OG1-O 3.3Å; S293-V391 PolarHBondContact N-O 2.82Å; L360-V391 HydrophobicContact CB-CG2 4.16Å; L360-V391 HydrophobicContact CD2-CG2 4.24Å; E361-V391 HydrophobicContact CB-CG1 4.49Å; E361-V391 WeakPolarHBondContact OE2-CA 3.41Å; V391-L393 HydrophobicContact CG1-CD2 4.28Å; V391-V412 HydrophobicContact CB-CG1 4.5Å; V391-V412 HydrophobicContact CG1-CG1 4.33Å; V391-V412 HydrophobicContact CG2-CG1 4.38Å; V391-Y415 HydrophobicContact CG1-CD1 4.12Å; V391-Y415 HydrophobicContact CG1-CE1 4.38Å; V391-L416 HydrophobicContact CG1-CD2 4.14Å; V391-L416 HydrophobicContact CG1-CG 4.47Å; V391-L416 HydrophobicContact CG2-CD1 4.32Å; V391-L416 HydrophobicContact CG2-CD2 4.21Å
392	L	98.7	Very high	96.6	Very high	8 Å²	8	45.7 Å²	45.7	4%	0.042	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	115.2	173.2	-169.8	68.8	0	0	0	109.9	S293 G294 V295 E298 M301 R359 E361 G394 Y415	S293-L392 WeakPolarHBondContact OG-CD1 3.26Å; G294-L392 WeakPolarHBondContact O-CD1 3.48Å; V295-L392 HydrophobicContact CG1-CD2 4.5Å; E298-L392 HydrophobicContact CB-CD1 3.82Å; E298-L392 HydrophobicContact CB-CD2 4.29Å; E298-L392 HydrophobicContact CG-CD1 3.96Å; E298-L392 HydrophobicContact CG-CD2 3.86Å; M301-L392 HydrophobicContact CE-CB 4.14Å; M301-L392 HydrophobicContact CE-CD1 4.01Å; R359-L392 VanDerWaalsContact CZ-CD2 3.49Å; E361-L392 WeakPolarHBondContact OE1-CB 3.5Å; E361-L392 PolarHBondContact OE1-N 3.33Å; E361-L392 PolarHBondContact OE2-N 3.21Å; L392-G394 VanDerWaalsContact C-N 3.33Å; L392-G394 PolarHBondContact O-N 3.39Å; L392-Y415 WeakPolarHBondContact O-CE1 3.49Å; L392-Y415 VanDerWaalsContact O-CZ 3.32Å; L392-Y415 PolarHBondContact O-OH 3.05Å; L392-Y415 VanDerWaalsContact O-OH 3.08Å
393	L	98.3	Very high	96.5	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	85.4	174.3	-59.2	177.3	0	0	0	108.8	S293 V391 D395 E396 I399 M411 V412 Y415	S293-L393 WeakPolarHBondContact O-CB 3.37Å; S293-L393 PolarHBondContact O-N 3.42Å; V391-L393 HydrophobicContact CG1-CD2 4.28Å; L393-D395 PolarHBondContact O-N 3.4Å; L393-E396 HydrophobicContact CB-CB 3.92Å; L393-E396 HydrophobicContact CB-CG 3.99Å; L393-E396 HydrophobicContact CD1-CG 4.38Å; L393-E396 PolarHBondContact O-N 3.21Å; L393-E396 VanDerWaalsContact O-O 3.06Å; L393-I399 HydrophobicContact CD1-CD1 3.84Å; L393-I399 HydrophobicContact CD1-CG1 4.1Å; L393-M411 HydrophobicContact CD1-CE 3.72Å; L393-M411 HydrophobicContact CD1-CG 3.91Å; L393-M411 HydrophobicContact CD1-SD 3.77Å; L393-V412 HydrophobicContact CD2-CG2 4.38Å; L393-Y415 HydrophobicContact CD2-CD1 3.65Å; L393-Y415 HydrophobicContact CD2-CD2 4.3Å; L393-Y415 HydrophobicContact CD2-CE1 4.33Å; L393-Y415 HydrophobicContact CD2-CG 3.6Å
394	G	94.3	Very high	96.6	Very high	36 Å²	36	51.9 Å²	51.9	37%	0.371	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-16	-173.5	0	0	0	0	0	115	L392 Y415	L392-G394 VanDerWaalsContact C-N 3.33Å; L392-G394 PolarHBondContact O-N 3.39Å; G394-Y415 PolarHBondContact N-OH 3.35Å
395	D	93.7	Very high	96.7	Very high	94 Å²	94	47.8 Å²	47.8	50%	0.503	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-6.5	175.1	-61.8	-28.1	0	0	0	112.1	L393 K418	L393-D395 PolarHBondContact O-N 3.4Å; D395-K418 IonicContact OD1-NZ 3.93Å; D395-K418 IonicContact OD2-NZ 2.75Å; D395-K418 PolarHBondContact OD2-NZ 3.15Å
396	E	97.3	Very high	96.7	Very high	82 Å²	82	50.7 Å²	50.7	38%	0.383	27%	0.268	S	S	.	.			trans	-116.8	129.4	-175.4	-61	-61.5	153.1	0	0	111.1	G294 V295 L393 M411	G294-E396 CarbonylContact C-O 3.55Å; G294-E396 WeakPolarHBondContact CA-O 3.43Å; V295-E396 PolarHBondContact N-O 2.99Å; L393-E396 HydrophobicContact CB-CB 3.92Å; L393-E396 HydrophobicContact CB-CG 3.99Å; L393-E396 HydrophobicContact CD1-CG 4.38Å; L393-E396 PolarHBondContact O-N 3.21Å; L393-E396 VanDerWaalsContact O-O 3.06Å; E396-M411 HydrophobicContact CG-SD 4.17Å
397	E	97.1	Very high	96.7	Very high	116 Å²	116	52.4 Å²	52.4	54%	0.542	28%	0.282	S	S	.	.	S	Bend	trans	-69.3	-49.4	176.2	-172.2	67.5	-175.6	0	0	111.1	G294 V295 R296	G294-E397 CarbonylContact C-O 3.53Å; V295-E397 WeakPolarHBondContact CG2-OE2 3.13Å; V295-E397 PolarHBondContact N-O 3.39Å; R296-E397 WeakPolarHBondContact CD-OE1 3.29Å; R296-E397 HydrophobicContact CG-CG 3.87Å; R296-E397 WeakPolarHBondContact CG-OE1 3.23Å; R296-E397 PolarHBondContact N-O 3.39Å
398	E	96.6	Very high	96.7	Very high	83 Å²	83	52.4 Å²	52.4	39%	0.388	28%	0.282	S	S	.	.			trans	-148.6	153.5	179.8	-74.8	-177.6	168.1	0	0	110.6	R296 P400	R296-E398 HydrophobicContact CB-CG 3.82Å; R296-E398 WeakPolarHBondContact CD-OE1 3.31Å; R296-E398 HydrophobicContact CG-CG 4.21Å; R296-E398 IonicContact CZ-OE1 2.81Å; R296-E398 IonicContact NE-OE1 3.4Å; R296-E398 PolarHBondContact NE-OE1 2.89Å; R296-E398 VanDerWaalsContact NE-OE1 3.12Å; R296-E398 IonicContact NH1-OE1 3.12Å; R296-E398 PolarHBondContact NH1-OE1 2.78Å; R296-E398 IonicContact NH1-OE2 3.88Å; R296-E398 IonicContact NH2-OE1 3.56Å; R296-E398 PolarHBondContact NH2-OE1 2.84Å; E398-P400 WeakPolarHBondContact O-CD 3.4Å
399	I	97.2	Very high	96.7	Very high	18 Å²	18	56.3 Å²	56.3	9%	0.092	30%	0.3	C	S	.	.			trans	-90.8	118	172.2	-58.7	176.5	0	0	0	108.9	T292 L393 A401 M403 V408 M411 P450	T292-I399 HydrophobicContact CG2-CD1 3.82Å; L393-I399 HydrophobicContact CD1-CD1 3.84Å; L393-I399 HydrophobicContact CD1-CG1 4.1Å; I399-A401 PolarHBondContact O-N 2.78Å; I399-M403 HydrophobicContact CG2-SD 4.03Å; I399-V408 HydrophobicContact CG2-CG2 4.05Å; I399-M411 HydrophobicContact CD1-CE 4.3Å; I399-M411 HydrophobicContact CG1-CE 4.16Å; I399-M411 HydrophobicContact CG2-CE 4.06Å; I399-P450 HydrophobicContact CB-CB 4.43Å; I399-P450 HydrophobicContact CD1-CB 3.96Å; I399-P450 HydrophobicContact CG2-CB 3.97Å
400	P	94.6	Very high	96.7	Very high	52 Å²	52	62.3 Å²	62.3	34%	0.338	33%	0.328	S	S	.	.			trans	-56.6	131.4	-176.9	-24.9	32.5	0	0	0	112.9	R263 E398 E402 M403	R263-P400 PolarHBondContact NH2-O 3.5Å; E398-P400 WeakPolarHBondContact O-CD 3.4Å; P400-E402 WeakPolarHBondContact CB-OE1 3.47Å; P400-E402 PolarHBondContact O-N 3.03Å; P400-E402 VanDerWaalsContact O-N 3.14Å; P400-M403 HydrophobicContact CB-CB 4.35Å; P400-M403 HydrophobicContact CG-CE 4.14Å; P400-M403 WeakPolarHBondContact O-CB 3.49Å; P400-M403 PolarHBondContact O-N 3.5Å
401	A	91.9	Very high	96.6	Very high	75 Å²	75	63.8 Å²	63.8	62%	0.62	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.2	-171.4	0	0	0	0	0	114.1	R263 I399	R263-A401 VanDerWaalsContact CZ-C 3.49Å; R263-A401 PolarHBondContact NE-O 2.99Å; R263-A401 PolarHBondContact NH1-O 2.65Å; R263-A401 PolarHBondContact NH2-O 3.42Å; I399-A401 PolarHBondContact O-N 2.78Å
402	E	92.6	Very high	96.6	Very high	158 Å²	158	63.8 Å²	63.8	74%	0.738	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-8	179.4	67.2	-75.8	175.4	0	0	113.8	P400 R404	P400-E402 WeakPolarHBondContact CB-OE1 3.47Å; P400-E402 PolarHBondContact O-N 3.03Å; P400-E402 VanDerWaalsContact O-N 3.14Å; E402-R404 PolarHBondContact O-N 3.03Å
403	M	95.9	Very high	96.6	Very high	49 Å²	49	65 Å²	65	24%	0.241	34%	0.342	C	S	.	.			trans	-60.7	130.1	179.9	-174.2	179	-81.6	0	0	110.5	R263 I399 P400 A407 V408 M411	R263-M403 PolarHBondContact NH1-O 3.43Å; I399-M403 HydrophobicContact CG2-SD 4.03Å; P400-M403 HydrophobicContact CB-CB 4.35Å; P400-M403 HydrophobicContact CG-CE 4.14Å; P400-M403 WeakPolarHBondContact O-CB 3.49Å; P400-M403 PolarHBondContact O-N 3.5Å; M403-A407 HydrophobicContact CG-CB 3.86Å; M403-A407 HydrophobicContact SD-CB 4.37Å; M403-V408 HydrophobicContact CB-CG2 4.36Å; M403-V408 HydrophobicContact CG-CG2 3.89Å; M403-V408 HydrophobicContact SD-CG2 3.72Å; M403-M411 HydrophobicContact CE-CE 4.15Å; M403-M411 HydrophobicContact CE-SD 4.39Å; M403-M411 HydrophobicContact SD-CE 3.43Å; M403-M411 WeakPolarHBondContact SD-CE 3.44Å; M403-M411 HydrophobicContact SD-SD 4.38Å
404	R	97	Very high	96.5	Very high	198 Å²	198	70 Å²	70	75%	0.747	37%	0.368	S	S	*	.			trans	-66.9	145.8	179.2	-65.4	-179.6	179.8	165.3	2.3	110.6	E402 S406 A407 V408	E402-R404 PolarHBondContact O-N 3.03Å; R404-S406 PolarHBondContact O-N 3.44Å; R404-A407 WeakPolarHBondContact O-CB 3.34Å; R404-A407 PolarHBondContact O-N 3.4Å; R404-V408 PolarHBondContact O-N 3.41Å
405	L	97.1	Very high	96.7	Very high	26 Å²	26	69 Å²	69	14%	0.136	35%	0.353	C	S	.	.	H	α-helix	trans	-59.3	-30.4	179	-63.7	176	0	0	0	113.4	E265 V408 E409 P450	E265-L405 HydrophobicContact CB-CD1 3.92Å; E265-L405 HydrophobicContact CG-CD1 4.11Å; L405-V408 PolarHBondContact O-N 2.78Å; L405-E409 WeakPolarHBondContact O-CB 3.36Å; L405-E409 PolarHBondContact O-N 2.91Å; L405-P450 VanDerWaalsContact CD2-CD 3.41Å; L405-P450 HydrophobicContact CD2-CG 3.91Å
406	S	97.3	Very high	96.8	Very high	67 Å²	67	64.5 Å²	64.5	47%	0.469	33%	0.33	S	S	.	.	H	α-helix	trans	-65.1	-38.6	173	60.4	0	0	0	0	112.6	R404 E409 E410	R404-S406 PolarHBondContact O-N 3.44Å; S406-E409 PolarHBondContact O-N 3.27Å; S406-E410 WeakPolarHBondContact O-CG 3.5Å; S406-E410 PolarHBondContact O-N 3.02Å
407	A	98	Very high	96.8	Very high	35 Å²	35	63 Å²	63	29%	0.289	32%	0.323	S	S	.	.	H	α-helix	trans	-72.3	-33	176.1	0	0	0	0	0	111.5	M403 R404 M411	M403-A407 HydrophobicContact CG-CB 3.86Å; M403-A407 HydrophobicContact SD-CB 4.37Å; R404-A407 WeakPolarHBondContact O-CB 3.34Å; R404-A407 PolarHBondContact O-N 3.4Å; A407-M411 VanDerWaalsContact O-CB 3.26Å; A407-M411 WeakPolarHBondContact O-CB 3.5Å; A407-M411 PolarHBondContact O-N 3.06Å
408	V	98.1	Very high	96.6	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-64	-42.8	171.4	177.6	0	0	0	0	110.8	T292 I399 M403 R404 L405 M411 V412 I448 P450	T292-V408 HydrophobicContact CG2-CG1 3.56Å; I399-V408 HydrophobicContact CG2-CG2 4.05Å; M403-V408 HydrophobicContact CB-CG2 4.36Å; M403-V408 HydrophobicContact CG-CG2 3.89Å; M403-V408 HydrophobicContact SD-CG2 3.72Å; R404-V408 PolarHBondContact O-N 3.41Å; L405-V408 PolarHBondContact O-N 2.78Å; V408-M411 HydrophobicContact CG2-CE 4.48Å; V408-M411 PolarHBondContact O-N 2.75Å; V408-V412 VanDerWaalsContact O-CG2 3.31Å; V408-V412 WeakPolarHBondContact O-CG2 3.22Å; V408-V412 PolarHBondContact O-N 2.88Å; V408-I448 HydrophobicContact CG1-CG2 4.22Å; V408-P450 HydrophobicContact CG1-CB 4.06Å; V408-P450 HydrophobicContact CG1-CG 4.39Å; V408-P450 HydrophobicContact CG2-CB 4.26Å; V408-P450 HydrophobicContact CG2-CG 4.17Å
409	E	98.4	Very high	96.4	Very high	82 Å²	82	63.5 Å²	63.5	38%	0.383	32%	0.319	S	S	.	.	H	α-helix	trans	-61.2	-49.4	175.9	173.1	171.9	176.2	0	0	111.9	L405 S406 M411 V412 D413 W441 I448	L405-E409 WeakPolarHBondContact O-CB 3.36Å; L405-E409 PolarHBondContact O-N 2.91Å; S406-E409 PolarHBondContact O-N 3.27Å; E409-M411 VanDerWaalsContact C-N 3.33Å; E409-M411 PolarHBondContact O-N 2.8Å; E409-V412 PolarHBondContact O-N 3.48Å; E409-D413 WeakPolarHBondContact O-CB 3.18Å; E409-D413 PolarHBondContact O-N 2.88Å; E409-W441 HydrophobicContact CG-CZ2 3.96Å; E409-I448 HydrophobicContact CB-CD1 3.96Å; E409-I448 HydrophobicContact CG-CD1 3.61Å
410	E	98.2	Very high	96.1	Very high	126 Å²	126	62.9 Å²	62.9	59%	0.589	32%	0.316	S	S	*	.	H	α-helix	trans	-57.1	-44.8	174.7	-72.8	168.1	-168.2	0	0	111.8	S406 V412 D413 D414	S406-E410 WeakPolarHBondContact O-CG 3.5Å; S406-E410 PolarHBondContact O-N 3.02Å; E410-V412 PolarHBondContact O-N 3.4Å; E410-D413 WeakPolarHBondContact O-CB 3.44Å; E410-D413 PolarHBondContact O-N 2.78Å; E410-D414 WeakPolarHBondContact O-CB 3.05Å; E410-D414 PolarHBondContact O-N 3.42Å
411	M	97.9	Very high	95.9	Very high	33 Å²	33	62.2 Å²	62.2	16%	0.163	31%	0.309	C	S	.	.	H	α-helix	trans	-64.4	-39	179	179	174.7	48.6	0	0	112.9	L393 E396 I399 M403 A407 V408 E409 Y415	L393-M411 HydrophobicContact CD1-CE 3.72Å; L393-M411 HydrophobicContact CD1-CG 3.91Å; L393-M411 HydrophobicContact CD1-SD 3.77Å; E396-M411 HydrophobicContact CG-SD 4.17Å; I399-M411 HydrophobicContact CD1-CE 4.3Å; I399-M411 HydrophobicContact CG1-CE 4.16Å; I399-M411 HydrophobicContact CG2-CE 4.06Å; M403-M411 HydrophobicContact CE-CE 4.15Å; M403-M411 HydrophobicContact CE-SD 4.39Å; M403-M411 HydrophobicContact SD-CE 3.43Å; M403-M411 WeakPolarHBondContact SD-CE 3.44Å; M403-M411 HydrophobicContact SD-SD 4.38Å; A407-M411 VanDerWaalsContact O-CB 3.26Å; A407-M411 WeakPolarHBondContact O-CB 3.5Å; A407-M411 PolarHBondContact O-N 3.06Å; V408-M411 HydrophobicContact CG2-CE 4.48Å; V408-M411 PolarHBondContact O-N 2.75Å; E409-M411 VanDerWaalsContact C-N 3.33Å; E409-M411 PolarHBondContact O-N 2.8Å; M411-Y415 VanDerWaalsContact O-CB 3.26Å; M411-Y415 WeakPolarHBondContact O-CB 3.5Å; M411-Y415 PolarHBondContact O-N 2.98Å; M411-Y415 VanDerWaalsContact O-N 3.11Å
412	V	98.4	Very high	94.9	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-68.2	-41.7	174.8	173.4	0	0	0	0	110.8	T292 V391 L393 V408 E409 E410 Y415 L416 W441 I448	T292-V412 HydrophobicContact CG2-CG2 3.61Å; T292-V412 WeakPolarHBondContact OG1-CG2 3.34Å; V391-V412 HydrophobicContact CB-CG1 4.5Å; V391-V412 HydrophobicContact CG1-CG1 4.33Å; V391-V412 HydrophobicContact CG2-CG1 4.38Å; L393-V412 HydrophobicContact CD2-CG2 4.38Å; V408-V412 VanDerWaalsContact O-CG2 3.31Å; V408-V412 WeakPolarHBondContact O-CG2 3.22Å; V408-V412 PolarHBondContact O-N 2.88Å; E409-V412 PolarHBondContact O-N 3.48Å; E410-V412 PolarHBondContact O-N 3.4Å; V412-Y415 PolarHBondContact O-N 3.02Å; V412-L416 HydrophobicContact CG1-CD1 4.01Å; V412-L416 HydrophobicContact CG1-CG 4.36Å; V412-L416 WeakPolarHBondContact O-CB 3.43Å; V412-L416 WeakPolarHBondContact O-CG 3.33Å; V412-L416 PolarHBondContact O-N 2.9Å; V412-W441 HydrophobicContact CB-CH2 4.11Å; V412-W441 HydrophobicContact CG1-CH2 3.73Å; V412-W441 HydrophobicContact CG1-CZ3 3.93Å; V412-I448 HydrophobicContact CG2-CG2 4.08Å
413	D	98.3	Very high	93.3	Very high	35 Å²	35	63.7 Å²	63.7	19%	0.187	31%	0.313	C	S	.	.	H	α-helix	trans	-58.6	-54.9	176.9	-172.1	7.6	0	0	0	110.9	E409 E410 Y415 L416 Q417 Y437 W441	E409-D413 WeakPolarHBondContact O-CB 3.18Å; E409-D413 PolarHBondContact O-N 2.88Å; E410-D413 WeakPolarHBondContact O-CB 3.44Å; E410-D413 PolarHBondContact O-N 2.78Å; D413-Y415 VanDerWaalsContact C-N 3.29Å; D413-Y415 PolarHBondContact O-N 3.21Å; D413-L416 PolarHBondContact O-N 3.24Å; D413-Q417 VanDerWaalsContact CG-NE2 3.32Å; D413-Q417 WeakPolarHBondContact O-CG 3.05Å; D413-Q417 PolarHBondContact O-N 2.85Å; D413-Q417 PolarHBondContact OD1-NE2 3.05Å; D413-Y437 PolarHBondContact O-OH 2.77Å; D413-Y437 VanDerWaalsContact O-OH 3.1Å; D413-Y437 WeakPolarHBondContact OD1-CE1 3.24Å; D413-Y437 VanDerWaalsContact OD1-CZ 3.23Å; D413-Y437 PolarHBondContact OD1-OH 3.43Å; D413-W441 HydrophobicContact CB-CH2 4.06Å; D413-W441 HydrophobicContact CB-CZ2 3.58Å
414	D	97.3	Very high	91.2	Very high	104 Å²	104	68.4 Å²	68.4	56%	0.556	34%	0.34	S	S	*	.	H	α-helix	trans	-57.3	-42.5	179.4	-75.9	-15.6	0	0	0	111.9	E410 Q417 K418	E410-D414 WeakPolarHBondContact O-CB 3.05Å; E410-D414 PolarHBondContact O-N 3.42Å; D414-Q417 PolarHBondContact O-N 3.3Å; D414-K418 WeakPolarHBondContact O-CB 2.98Å; D414-K418 PolarHBondContact O-N 2.78Å
415	Y	97.5	Very high	88.7	Confident	15 Å²	15	65.6 Å²	65.6	6%	0.059	34%	0.335	C	S	.	.	H	α-helix	trans	-67.4	-42.8	179.8	-176.5	-100.4	0	0	0	112.4	E361 V391 L392 L393 G394 M411 V412 D413 K418 R419	E361-Y415 HydrophobicContact CB-CE1 3.93Å; E361-Y415 HydrophobicContact CG-CE1 3.9Å; V391-Y415 HydrophobicContact CG1-CD1 4.12Å; V391-Y415 HydrophobicContact CG1-CE1 4.38Å; L392-Y415 WeakPolarHBondContact O-CE1 3.49Å; L392-Y415 VanDerWaalsContact O-CZ 3.32Å; L392-Y415 PolarHBondContact O-OH 3.05Å; L392-Y415 VanDerWaalsContact O-OH 3.08Å; L393-Y415 HydrophobicContact CD2-CD1 3.65Å; L393-Y415 HydrophobicContact CD2-CD2 4.3Å; L393-Y415 HydrophobicContact CD2-CE1 4.33Å; L393-Y415 HydrophobicContact CD2-CG 3.6Å; G394-Y415 PolarHBondContact N-OH 3.35Å; M411-Y415 VanDerWaalsContact O-CB 3.26Å; M411-Y415 WeakPolarHBondContact O-CB 3.5Å; M411-Y415 PolarHBondContact O-N 2.98Å; M411-Y415 VanDerWaalsContact O-N 3.11Å; V412-Y415 PolarHBondContact O-N 3.02Å; D413-Y415 VanDerWaalsContact C-N 3.29Å; D413-Y415 PolarHBondContact O-N 3.21Å; Y415-K418 PolarHBondContact O-N 3.21Å; Y415-R419 HydrophobicContact CD1-CG 4.35Å; Y415-R419 HydrophobicContact CE1-CG 4.03Å; Y415-R419 VanDerWaalsContact O-CG 3.31Å; Y415-R419 WeakPolarHBondContact O-CG 3.44Å; Y415-R419 PolarHBondContact O-N 2.75Å; Y415-R419 PolarHBondContact OH-NE 2.84Å; Y415-R419 PolarHBondContact OH-NH2 2.84Å
416	L	97	Very high	86.4	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-68.5	-37.5	176.2	-71.5	178.4	0	0	0	112	L360 E361 V391 V412 D413 R419 F420 Y437 W441	L360-L416 HydrophobicContact CD2-CD1 4.41Å; E361-L416 HydrophobicContact CB-CD2 3.79Å; V391-L416 HydrophobicContact CG1-CD2 4.14Å; V391-L416 HydrophobicContact CG1-CG 4.47Å; V391-L416 HydrophobicContact CG2-CD1 4.32Å; V391-L416 HydrophobicContact CG2-CD2 4.21Å; V412-L416 HydrophobicContact CG1-CD1 4.01Å; V412-L416 HydrophobicContact CG1-CG 4.36Å; V412-L416 WeakPolarHBondContact O-CB 3.43Å; V412-L416 WeakPolarHBondContact O-CG 3.33Å; V412-L416 PolarHBondContact O-N 2.9Å; D413-L416 PolarHBondContact O-N 3.24Å; L416-R419 PolarHBondContact O-N 3.03Å; L416-F420 HydrophobicContact CB-CD2 4.4Å; L416-F420 HydrophobicContact CB-CE2 4.4Å; L416-F420 HydrophobicContact CD2-CE2 4.03Å; L416-F420 HydrophobicContact CD2-CZ 4.05Å; L416-F420 WeakPolarHBondContact O-CB 3.27Å; L416-F420 WeakPolarHBondContact O-CG 3.2Å; L416-F420 PolarHBondContact O-N 2.9Å; L416-Y437 HydrophobicContact CB-CE2 3.88Å; L416-W441 HydrophobicContact CD1-CE3 4.22Å; L416-W441 HydrophobicContact CD1-CZ3 3.77Å
417	Q	95.7	Very high	84.1	Confident	51 Å²	51	72.7 Å²	72.7	24%	0.238	38%	0.378	C	S	.	.	H	α-helix	trans	-58.7	-49.1	171.5	-75.5	-176	63.3	0	0	111	D413 D414 R419 F420 L421 Y437	D413-Q417 VanDerWaalsContact CG-NE2 3.32Å; D413-Q417 WeakPolarHBondContact O-CG 3.05Å; D413-Q417 PolarHBondContact O-N 2.85Å; D413-Q417 PolarHBondContact OD1-NE2 3.05Å; D414-Q417 PolarHBondContact O-N 3.3Å; Q417-R419 VanDerWaalsContact C-N 3.28Å; Q417-R419 PolarHBondContact O-N 2.71Å; Q417-F420 PolarHBondContact O-N 2.7Å; Q417-L421 HydrophobicContact CB-CD1 4.1Å; Q417-L421 HydrophobicContact CG-CD1 4.26Å; Q417-L421 WeakPolarHBondContact O-CA 3.33Å; Q417-L421 WeakPolarHBondContact O-CB 3.48Å; Q417-L421 WeakPolarHBondContact O-CG 3.3Å; Q417-L421 PolarHBondContact O-N 2.91Å; Q417-Y437 HydrophobicContact CG-CD1 3.59Å; Q417-Y437 HydrophobicContact CG-CD2 4.5Å; Q417-Y437 HydrophobicContact CG-CE1 3.15Å; Q417-Y437 HydrophobicContact CG-CE2 4.14Å; Q417-Y437 HydrophobicContact CG-CG 4.24Å; Q417-Y437 VanDerWaalsContact CG-CZ 3.45Å
418	K	93.4	Very high	82.3	Confident	117 Å²	117	74 Å²	74	51%	0.509	39%	0.385	S	S	.	.	H	α-helix	trans	-55.3	-44.8	176.1	-178.1	-178	174.9	-173	0	111.2	D395 D414 Y415 S422	D395-K418 IonicContact OD1-NZ 3.93Å; D395-K418 IonicContact OD2-NZ 2.75Å; D395-K418 PolarHBondContact OD2-NZ 3.15Å; D414-K418 WeakPolarHBondContact O-CB 2.98Å; D414-K418 PolarHBondContact O-N 2.78Å; Y415-K418 PolarHBondContact O-N 3.21Å; K418-S422 PolarHBondContact O-OG 3.34Å
419	R	92.1	Very high	80.4	Confident	92 Å²	92	82.2 Å²	82.2	35%	0.347	42%	0.421	S	S	.	.	H	α-helix	trans	-69.6	-44.3	-179.3	-71.6	-72.7	-176.4	161.4	1	113.3	E361 Y415 L416 Q417	E361-R419 HydrophobicContact CB-CG 4.29Å; Y415-R419 HydrophobicContact CD1-CG 4.35Å; Y415-R419 HydrophobicContact CE1-CG 4.03Å; Y415-R419 VanDerWaalsContact O-CG 3.31Å; Y415-R419 WeakPolarHBondContact O-CG 3.44Å; Y415-R419 PolarHBondContact O-N 2.75Å; Y415-R419 PolarHBondContact OH-NE 2.84Å; Y415-R419 PolarHBondContact OH-NH2 2.84Å; L416-R419 PolarHBondContact O-N 3.03Å; Q417-R419 VanDerWaalsContact C-N 3.28Å; Q417-R419 PolarHBondContact O-N 2.71Å
420	F	92.6	Very high	78.7	Confident	6 Å²	6	81.4 Å²	81.4	3%	0.026	42%	0.419	C	S	.	.	H	α-helix	trans	-89.6	-21.7	-171.6	-65.4	-21.3	0	0	0	114.6	L360 P365 T368 L416 Q417 M432 Y437	L360-F420 HydrophobicContact CG-CZ 4.29Å; L360-F420 WeakPolarHBondContact O-CZ 3.3Å; P365-F420 HydrophobicContact CB-CB 4.08Å; P365-F420 HydrophobicContact CB-CD1 4.17Å; P365-F420 HydrophobicContact CB-CG 4.36Å; P365-F420 WeakPolarHBondContact CB-O 3.1Å; P365-F420 HydrophobicContact CG-CB 4.39Å; P365-F420 HydrophobicContact CG-CD1 4.05Å; T368-F420 HydrophobicContact CG2-CE1 4.17Å; T368-F420 HydrophobicContact CG2-CE2 4.26Å; T368-F420 HydrophobicContact CG2-CZ 3.79Å; L416-F420 HydrophobicContact CB-CD2 4.4Å; L416-F420 HydrophobicContact CB-CE2 4.4Å; L416-F420 HydrophobicContact CD2-CE2 4.03Å; L416-F420 HydrophobicContact CD2-CZ 4.05Å; L416-F420 WeakPolarHBondContact O-CB 3.27Å; L416-F420 WeakPolarHBondContact O-CG 3.2Å; L416-F420 PolarHBondContact O-N 2.9Å; Q417-F420 PolarHBondContact O-N 2.7Å; F420-M432 HydrophobicContact CB-CG 4.07Å; F420-Y437 HydrophobicContact CD2-CD2 4.06Å; F420-Y437 HydrophobicContact CD2-CE2 4.08Å
421	L	89.7	Confident	77.7	Confident	37 Å²	37	80 Å²	80	19%	0.194	41%	0.409	C	S	.	.	S	Bend	trans	-100.8	2.8	-179.8	-54	177.9	0	0	0	113	Q417 H423 M432 L434	Q417-L421 HydrophobicContact CB-CD1 4.1Å; Q417-L421 HydrophobicContact CG-CD1 4.26Å; Q417-L421 WeakPolarHBondContact O-CA 3.33Å; Q417-L421 WeakPolarHBondContact O-CB 3.48Å; Q417-L421 WeakPolarHBondContact O-CG 3.3Å; Q417-L421 PolarHBondContact O-N 2.91Å; L421-H423 PolarHBondContact O-CE1 2.71Å; L421-H423 PolarHBondContact O-N 3.03Å; L421-H423 PolarHBondContact O-ND1 3.4Å; L421-M432 HydrophobicContact CD2-CG 3.99Å; L421-L434 HydrophobicContact CD1-CB 4.45Å; L421-L434 HydrophobicContact CD1-CD1 3.77Å
422	S	70.4	Confident	77.3	Confident	93 Å²	93	79.3 Å²	79.3	65%	0.65	41%	0.405	S	S	*	.			trans	-60.2	124.5	177.7	-75.8	0	0	0	0	111.8	K418	K418-S422 PolarHBondContact O-OG 3.34Å
423	H	58.3	Low	76.9	Confident	172 Å²	172	81.5 Å²	81.5	80%	0.796	42%	0.417	S	S	*	.			trans	-88.8	130.5	-170.3	-63.3	10.6	0	0	0	111.1	L421	L421-H423 PolarHBondContact O-CE1 2.71Å; L421-H423 PolarHBondContact O-N 3.03Å; L421-H423 PolarHBondContact O-ND1 3.4Å
424	D	52.5	Low	76.6	Confident	148 Å²	148	84.9 Å²	84.9	79%	0.791	43%	0.434	S	S	*	.			trans	-142.4	-15.4	156.5	-91.6	-38	0	0	0	115
425	H	44.3	Very low	76.3	Confident	139 Å²	139	86.6 Å²	86.6	64%	0.644	44%	0.444	S	S	*	.	S	Bend	trans	-148.3	157.4	-173.9	-74.6	72	0	0	0	111.5	R431	H425-R431 VanDerWaalsContact O-CZ 3.31Å; H425-R431 PolarHBondContact O-NH1 2.81Å
426	P	49	Very low	76.2	Confident	112 Å²	112	87.7 Å²	87.7	73%	0.727	45%	0.449	S	S	*	.			trans	-56.9	150.9	-169.9	19	-31.6	0	0	0	114.5	S428 R431	P426-S428 PolarHBondContact O-N 3.36Å; P426-R431 WeakPolarHBondContact O-CD 3.14Å; P426-R431 PolarHBondContact O-NH1 2.78Å
427	V	49.5	Very low	76.1	Confident	130 Å²	130	87.9 Å²	87.9	79%	0.788	45%	0.45	S	S	*	.			trans	-68.8	108.8	-174.9	-115.9	0	0	0	0	111.2
428	S	59.5	Low	76.1	Confident	63 Å²	63	87.2 Å²	87.2	44%	0.441	46%	0.456	S	S	.	.			trans	-96.9	158.9	162.9	63.9	0	0	0	0	109.9	P426 D430 R431	P426-S428 PolarHBondContact O-N 3.36Å; S428-D430 PolarHBondContact O-N 2.79Å; S428-R431 WeakPolarHBondContact O-CB 3.4Å; S428-R431 PolarHBondContact O-N 3.05Å; S428-R431 WeakPolarHBondContact OG-CG 3.16Å
429	F	58.7	Low	76.2	Confident	172 Å²	172	82.4 Å²	82.4	75%	0.754	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.9	178.2	178.9	-94.9	0	0	0	112.9	R431 K436	F429-R431 VanDerWaalsContact C-N 3.28Å; F429-R431 PolarHBondContact O-N 2.85Å; F429-K436 PolarHBondContact O-NZ 3.26Å
430	D	63.4	Low	76.4	Confident	65 Å²	65	78 Å²	78	35%	0.348	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-1.8	178	-65.6	-59.3	0	0	0	114	K337 G366 S428	K337-D430 IonicContact NZ-OD1 3.99Å; G366-D430 WeakPolarHBondContact CA-O 3.45Å; S428-D430 PolarHBondContact O-N 2.79Å
431	R	76.9	Confident	76.7	Confident	96 Å²	96	78.9 Å²	78.9	36%	0.362	43%	0.426	S	S	.	.	S	Bend	trans	-78.8	143.7	172.6	-82.7	-176.2	126.2	121.2	9.2	112.3	H425 P426 S428 F429 D433 K436	H425-R431 VanDerWaalsContact O-CZ 3.31Å; H425-R431 PolarHBondContact O-NH1 2.81Å; P426-R431 WeakPolarHBondContact O-CD 3.14Å; P426-R431 PolarHBondContact O-NH1 2.78Å; S428-R431 WeakPolarHBondContact O-CB 3.4Å; S428-R431 PolarHBondContact O-N 3.05Å; S428-R431 WeakPolarHBondContact OG-CG 3.16Å; F429-R431 VanDerWaalsContact C-N 3.28Å; F429-R431 PolarHBondContact O-N 2.85Å; R431-D433 PolarHBondContact O-N 3.4Å; R431-K436 WeakPolarHBondContact O-CD 3.48Å; R431-K436 PolarHBondContact O-NZ 3.07Å
432	M	89	Confident	77	Confident	18 Å²	18	80 Å²	80	9%	0.089	44%	0.437	C	S	.	.			trans	-63.1	132.1	168.1	-172.1	65.2	67.7	0	0	109.9	P365 T368 L369 F420 L421 K436 Y437 L440	P365-M432 HydrophobicContact CB-CB 3.68Å; P365-M432 HydrophobicContact CB-CG 4.42Å; P365-M432 WeakPolarHBondContact O-CE 3.34Å; T368-M432 WeakPolarHBondContact OG1-CE 3.37Å; L369-M432 HydrophobicContact CD2-CE 3.46Å; L369-M432 VanDerWaalsContact CD2-CE 3.46Å; L369-M432 HydrophobicContact CD2-SD 3.85Å; L369-M432 HydrophobicContact CG-CE 3.91Å; F420-M432 HydrophobicContact CB-CG 4.07Å; L421-M432 HydrophobicContact CD2-CG 3.99Å; M432-K436 HydrophobicContact SD-CB 3.9Å; M432-Y437 PolarHBondContact SD-N 2.78Å; M432-Y437 VanDerWaalsContact SD-N 3.44Å; M432-L440 HydrophobicContact CE-CD2 4Å
433	D	90.1	Very high	78.2	Confident	47 Å²	47	77.4 Å²	77.4	25%	0.251	41%	0.413	S	S	.	.			trans	-131.8	172.2	170.2	61.8	50.6	0	0	0	108.8	R431 N435 K436 Y437	R431-D433 PolarHBondContact O-N 3.4Å; D433-N435 VanDerWaalsContact C-N 3.26Å; D433-N435 PolarHBondContact O-N 3.43Å; D433-N435 WeakPolarHBondContact OD1-CB 3.43Å; D433-N435 PolarHBondContact OD1-N 3.23Å; D433-K436 PolarHBondContact O-N 2.97Å; D433-K436 WeakPolarHBondContact OD1-CG 3.19Å; D433-K436 PolarHBondContact OD1-N 3.28Å; D433-K436 WeakPolarHBondContact OD2-CD 3.12Å; D433-K436 WeakPolarHBondContact OD2-CE 3.33Å; D433-K436 IonicContact OD2-NZ 2.89Å; D433-K436 PolarHBondContact OD2-NZ 3.34Å; D433-Y437 WeakPolarHBondContact O-CB 3.13Å; D433-Y437 PolarHBondContact O-N 3.43Å
434	L	91.6	Very high	80	Confident	105 Å²	105	69.3 Å²	69.3	55%	0.55	38%	0.375	S	S	.	.	H	α-helix	trans	-60	-34.4	-175.3	-174.3	64.3	0	0	0	113	L421 Y437 G438	L421-L434 HydrophobicContact CD1-CB 4.45Å; L421-L434 HydrophobicContact CD1-CD1 3.77Å; L434-Y437 PolarHBondContact O-N 3.43Å; L434-G438 PolarHBondContact O-N 2.54Å
435	N	92.1	Very high	82	Confident	141 Å²	141	63.1 Å²	63.1	75%	0.754	34%	0.344	S	S	*	.	H	α-helix	trans	-70.8	-44.7	179.8	-67.7	-34.2	0	0	0	111	D433 Y437 G438 G439	D433-N435 VanDerWaalsContact C-N 3.26Å; D433-N435 PolarHBondContact O-N 3.43Å; D433-N435 WeakPolarHBondContact OD1-CB 3.43Å; D433-N435 PolarHBondContact OD1-N 3.23Å; N435-Y437 VanDerWaalsContact C-N 3.31Å; N435-G438 PolarHBondContact O-N 2.78Å; N435-G439 PolarHBondContact O-N 3.24Å
436	K	94.1	Very high	84.4	Confident	38 Å²	38	59.5 Å²	59.5	17%	0.165	33%	0.327	C	S	.	.	H	α-helix	trans	-66.9	-35.7	175.5	-65.7	173.8	-163.3	153.1	0	111.8	L369 Y372 F429 R431 M432 D433 G439 L440	L369-K436 HydrophobicContact CD1-CD 4.04Å; L369-K436 HydrophobicContact CD2-CB 3.82Å; L369-K436 HydrophobicContact CD2-CD 4.38Å; Y372-K436 WeakPolarHBondContact OH-CA 3.12Å; Y372-K436 PolarHBondContact OH-O 3.21Å; F429-K436 PolarHBondContact O-NZ 3.26Å; R431-K436 WeakPolarHBondContact O-CD 3.48Å; R431-K436 PolarHBondContact O-NZ 3.07Å; M432-K436 HydrophobicContact SD-CB 3.9Å; D433-K436 PolarHBondContact O-N 2.97Å; D433-K436 WeakPolarHBondContact OD1-CG 3.19Å; D433-K436 PolarHBondContact OD1-N 3.28Å; D433-K436 WeakPolarHBondContact OD2-CD 3.12Å; D433-K436 WeakPolarHBondContact OD2-CE 3.33Å; D433-K436 IonicContact OD2-NZ 2.89Å; D433-K436 PolarHBondContact OD2-NZ 3.34Å; K436-G439 PolarHBondContact O-N 3.03Å; K436-L440 WeakPolarHBondContact O-CB 3.49Å; K436-L440 PolarHBondContact O-N 3.37Å
437	Y	96.1	Very high	86.7	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.016	30%	0.295	C	S	.	.	H	α-helix	trans	-63	-50.5	173.5	174.5	-92.2	0	0	0	110.9	D413 L416 Q417 F420 M432 D433 L434 N435 G439 L440 W441	D413-Y437 PolarHBondContact O-OH 2.77Å; D413-Y437 VanDerWaalsContact O-OH 3.1Å; D413-Y437 WeakPolarHBondContact OD1-CE1 3.24Å; D413-Y437 VanDerWaalsContact OD1-CZ 3.23Å; D413-Y437 PolarHBondContact OD1-OH 3.43Å; L416-Y437 HydrophobicContact CB-CE2 3.88Å; Q417-Y437 HydrophobicContact CG-CD1 3.59Å; Q417-Y437 HydrophobicContact CG-CD2 4.5Å; Q417-Y437 HydrophobicContact CG-CE1 3.15Å; Q417-Y437 HydrophobicContact CG-CE2 4.14Å; Q417-Y437 HydrophobicContact CG-CG 4.24Å; Q417-Y437 VanDerWaalsContact CG-CZ 3.45Å; F420-Y437 HydrophobicContact CD2-CD2 4.06Å; F420-Y437 HydrophobicContact CD2-CE2 4.08Å; M432-Y437 PolarHBondContact SD-N 2.78Å; M432-Y437 VanDerWaalsContact SD-N 3.44Å; D433-Y437 WeakPolarHBondContact O-CB 3.13Å; D433-Y437 PolarHBondContact O-N 3.43Å; L434-Y437 PolarHBondContact O-N 3.43Å; N435-Y437 VanDerWaalsContact C-N 3.31Å; Y437-G439 VanDerWaalsContact C-N 3.26Å; Y437-G439 PolarHBondContact O-N 3.25Å; Y437-L440 WeakPolarHBondContact O-CB 3.1Å; Y437-L440 PolarHBondContact O-N 2.82Å; Y437-W441 HydrophobicContact CE1-CB 4.08Å; Y437-W441 HydrophobicContact CE1-CG 4.42Å; Y437-W441 WeakPolarHBondContact O-CB 3.16Å; Y437-W441 PolarHBondContact O-N 3.47Å
438	G	96.1	Very high	89.1	Confident	37 Å²	37	48.9 Å²	48.9	38%	0.381	26%	0.259	S	S	.	.	H	α-helix	trans	-59	-38.3	179	0	0	0	0	0	112.7	L434 N435 S442	L434-G438 PolarHBondContact O-N 2.54Å; N435-G438 PolarHBondContact O-N 2.78Å; G438-S442 PolarHBondContact O-N 2.77Å; G438-S442 VanDerWaalsContact O-N 3.16Å; G438-S442 PolarHBondContact O-OG 3.46Å
439	G	95.2	Very high	90.9	Very high	15 Å²	15	45.9 Å²	45.9	16%	0.155	24%	0.239	C	C	.	.	H	α-helix	trans	-69.6	-36.6	174.1	0	0	0	0	0	113.6	Y372 N435 K436 Y437 S442 R443	Y372-G439 VanDerWaalsContact OH-C 3.3Å; Y372-G439 WeakPolarHBondContact OH-CA 3.15Å; N435-G439 PolarHBondContact O-N 3.24Å; K436-G439 PolarHBondContact O-N 3.03Å; Y437-G439 VanDerWaalsContact C-N 3.26Å; Y437-G439 PolarHBondContact O-N 3.25Å; G439-S442 PolarHBondContact O-OG 3.49Å; G439-R443 WeakPolarHBondContact O-CD 3.13Å; G439-R443 PolarHBondContact O-NH1 2.83Å
440	L	96.4	Very high	92.8	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-63.6	-52.5	171.6	173.5	62.6	0	0	0	110.8	T368 F371 Y372 M432 K436 Y437 S442 R443 I444	T368-L440 WeakPolarHBondContact OG1-CD2 3.43Å; F371-L440 HydrophobicContact CB-CD1 3.78Å; Y372-L440 HydrophobicContact CD2-CB 4.45Å; Y372-L440 HydrophobicContact CE2-CB 3.82Å; Y372-L440 PolarHBondContact OH-N 2.78Å; M432-L440 HydrophobicContact CE-CD2 4Å; K436-L440 WeakPolarHBondContact O-CB 3.49Å; K436-L440 PolarHBondContact O-N 3.37Å; Y437-L440 WeakPolarHBondContact O-CB 3.1Å; Y437-L440 PolarHBondContact O-N 2.82Å; L440-S442 VanDerWaalsContact C-N 3.32Å; L440-S442 PolarHBondContact O-N 3.32Å; L440-R443 WeakPolarHBondContact O-CB 3.48Å; L440-R443 PolarHBondContact O-N 3.37Å; L440-I444 HydrophobicContact CD1-CD1 4.36Å; L440-I444 HydrophobicContact CD1-CG2 3.94Å; L440-I444 HydrophobicContact CG-CD1 4.12Å; L440-I444 PolarHBondContact O-N 2.88Å
441	W	97.6	Very high	94.5	Very high	24 Å²	24	35 Å²	35	9%	0.091	19%	0.189	C	C	.	.	H	α-helix	trans	-51.5	-51.7	-177.5	-178.8	-120	0	0	0	111	I290 E409 V412 D413 L416 Y437 R443 I444 S445 I448	I290-W441 HydrophobicContact CD1-CZ3 3.96Å; E409-W441 HydrophobicContact CG-CZ2 3.96Å; V412-W441 HydrophobicContact CB-CH2 4.11Å; V412-W441 HydrophobicContact CG1-CH2 3.73Å; V412-W441 HydrophobicContact CG1-CZ3 3.93Å; D413-W441 HydrophobicContact CB-CH2 4.06Å; D413-W441 HydrophobicContact CB-CZ2 3.58Å; L416-W441 HydrophobicContact CD1-CE3 4.22Å; L416-W441 HydrophobicContact CD1-CZ3 3.77Å; Y437-W441 HydrophobicContact CE1-CB 4.08Å; Y437-W441 HydrophobicContact CE1-CG 4.42Å; Y437-W441 WeakPolarHBondContact O-CB 3.16Å; Y437-W441 PolarHBondContact O-N 3.47Å; W441-R443 PolarHBondContact O-N 3.4Å; W441-I444 HydrophobicContact CE3-CD1 4.49Å; W441-I444 HydrophobicContact CE3-CG1 4.36Å; W441-I444 PolarHBondContact O-N 3.3Å; W441-S445 VanDerWaalsContact O-CB 3.31Å; W441-S445 WeakPolarHBondContact O-CB 3.17Å; W441-S445 PolarHBondContact O-N 3.47Å; W441-S445 PolarHBondContact O-OG 2.85Å; W441-I448 HydrophobicContact CH2-CD1 3.36Å; W441-I448 HydrophobicContact CH2-CG1 4.41Å; W441-I448 HydrophobicContact CZ2-CD1 3.59Å; W441-I448 HydrophobicContact CZ3-CD1 4.28Å
442	S	95.8	Very high	95.5	Very high	59 Å²	59	32.2 Å²	32.2	41%	0.413	19%	0.186	S	C	.	.	H	α-helix	trans	-56.4	-19.5	179.6	65.3	0	0	0	0	115.7	G438 G439 L440	G438-S442 PolarHBondContact O-N 2.77Å; G438-S442 VanDerWaalsContact O-N 3.16Å; G438-S442 PolarHBondContact O-OG 3.46Å; G439-S442 PolarHBondContact O-OG 3.49Å; L440-S442 VanDerWaalsContact C-N 3.32Å; L440-S442 PolarHBondContact O-N 3.32Å
443	R	95.8	Very high	96	Very high	40 Å²	40	32 Å²	32	15%	0.151	19%	0.187	C	C	.	.	H	α-helix	trans	-97.4	-26.4	-179.4	-70.7	169.7	172.9	68.6	6.3	113.4	S288 C375 D376 G439 L440 W441 H446	S288-R443 PolarHBondContact OG-O 3.46Å; C375-R443 HydrophobicContact CB-CB 4.01Å; C375-R443 WeakPolarHBondContact O-CB 3.32Å; D376-R443 IonicContact OD1-CZ 2.66Å; D376-R443 IonicContact OD1-NE 2.87Å; D376-R443 PolarHBondContact OD1-NE 3.27Å; D376-R443 IonicContact OD1-NH2 2.79Å; D376-R443 PolarHBondContact OD1-NH2 3.46Å; G439-R443 WeakPolarHBondContact O-CD 3.13Å; G439-R443 PolarHBondContact O-NH1 2.83Å; L440-R443 WeakPolarHBondContact O-CB 3.48Å; L440-R443 PolarHBondContact O-N 3.37Å; W441-R443 PolarHBondContact O-N 3.4Å; R443-H446 PolarHBondContact O-NE2 2.81Å
444	I	96.8	Very high	96.3	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-103.2	-22.4	-176.3	66.1	169.8	0	0	0	112.8	I290 L360 F371 C375 F389 L440 W441 H446	I290-I444 HydrophobicContact CD1-CD1 4.18Å; I290-I444 HydrophobicContact CD1-CG1 4.14Å; L360-I444 HydrophobicContact CD2-CD1 3.82Å; F371-I444 HydrophobicContact CB-CG2 4.35Å; C375-I444 HydrophobicContact CB-CG2 4.14Å; F389-I444 HydrophobicContact CE2-CB 4.24Å; F389-I444 HydrophobicContact CE2-CG2 4.12Å; F389-I444 HydrophobicContact CZ-CG2 4.07Å; L440-I444 HydrophobicContact CD1-CD1 4.36Å; L440-I444 HydrophobicContact CD1-CG2 3.94Å; L440-I444 HydrophobicContact CG-CD1 4.12Å; L440-I444 PolarHBondContact O-N 2.88Å; W441-I444 HydrophobicContact CE3-CD1 4.49Å; W441-I444 HydrophobicContact CE3-CG1 4.36Å; W441-I444 PolarHBondContact O-N 3.3Å; I444-H446 VanDerWaalsContact C-N 3.29Å; I444-H446 PolarHBondContact O-N 3.29Å
445	S	95.3	Very high	96.6	Very high	18 Å²	18	29.8 Å²	29.8	13%	0.126	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	20.4	-174.5	65.8	0	0	0	0	115	W441 L447	W441-S445 VanDerWaalsContact O-CB 3.31Å; W441-S445 WeakPolarHBondContact O-CB 3.17Å; W441-S445 PolarHBondContact O-N 3.47Å; W441-S445 PolarHBondContact O-OG 2.85Å; S445-L447 PolarHBondContact O-N 2.88Å; S445-L447 VanDerWaalsContact O-N 3.11Å
446	H	94.2	Very high	96.8	Very high	63 Å²	63	31.4 Å²	31.4	29%	0.292	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-33.3	-178.3	-65.5	177.9	0	0	0	113.5	E285 R443 I444	E285-H446 IonicContact OE2-CE1 3.21Å; R443-H446 PolarHBondContact O-NE2 2.81Å; I444-H446 VanDerWaalsContact C-N 3.29Å; I444-H446 PolarHBondContact O-N 3.29Å
447	L	97.1	Very high	97	Very high	10 Å²	10	30.5 Å²	30.5	5%	0.052	17%	0.167	C	C	.	.			trans	-152.8	116.3	175.4	177	55.9	0	0	0	110	R269 H273 L289 I290 S445 L449	R269-L447 HydrophobicContact CB-CD1 3.93Å; R269-L447 HydrophobicContact CB-CD2 3.92Å; H273-L447 HydrophobicContact CB-CD2 4.35Å; L289-L447 WeakPolarHBondContact CA-O 3.34Å; L289-L447 HydrophobicContact CD1-CB 3.96Å; L289-L447 HydrophobicContact CD1-CD2 3.35Å; L289-L447 HydrophobicContact CD1-CG 3.53Å; I290-L447 PolarHBondContact N-O 3.4Å; S445-L447 PolarHBondContact O-N 2.88Å; S445-L447 VanDerWaalsContact O-N 3.11Å; L447-L449 HydrophobicContact CD1-CD1 4.27Å; L447-L449 HydrophobicContact CD1-CD2 3.88Å; L447-L449 HydrophobicContact CD1-CG 3.93Å; L447-L449 HydrophobicContact CD2-CD1 4.08Å; L447-L449 HydrophobicContact CG-CD1 4.02Å; L447-L449 HydrophobicContact CG-CG 4.03Å
448	I	98.6	Very high	97.1	Very high	9 Å²	9	32 Å²	32	5%	0.046	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129	176.5	-62.5	151.3	0	0	0	108.9	I290 T292 V408 E409 V412 W441	I290-I448 HydrophobicContact CB-CB 4.48Å; I290-I448 HydrophobicContact CB-CG1 3.88Å; I290-I448 HydrophobicContact CD1-CG1 4.12Å; I290-I448 HydrophobicContact CG1-CG1 4.28Å; I290-I448 CarbonylContact O-C 3.53Å; I290-I448 WeakPolarHBondContact O-CA 3.26Å; T292-I448 HydrophobicContact CG2-CG2 4.12Å; V408-I448 HydrophobicContact CG1-CG2 4.22Å; E409-I448 HydrophobicContact CB-CD1 3.96Å; E409-I448 HydrophobicContact CG-CD1 3.61Å; V412-I448 HydrophobicContact CG2-CG2 4.08Å; W441-I448 HydrophobicContact CH2-CD1 3.36Å; W441-I448 HydrophobicContact CH2-CG1 4.41Å; W441-I448 HydrophobicContact CZ2-CD1 3.59Å; W441-I448 HydrophobicContact CZ3-CD1 4.28Å
449	L	98.6	Very high	97.1	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	126.5	-175.9	-64.6	168.6	0	0	0	111.1	L266 R269 S270 L289 I290 L291 T292 L447	L266-L449 HydrophobicContact CD1-CB 4.43Å; L266-L449 HydrophobicContact CG-CB 4.36Å; L266-L449 HydrophobicContact CG-CD1 4.2Å; R269-L449 HydrophobicContact CB-CD2 4.39Å; S270-L449 VanDerWaalsContact OG-CD1 3.26Å; S270-L449 WeakPolarHBondContact OG-CD1 3.41Å; L289-L449 HydrophobicContact CD1-CD1 3.94Å; I290-L449 PolarHBondContact O-N 2.92Å; L291-L449 WeakPolarHBondContact CA-O 3.33Å; L291-L449 HydrophobicContact CD2-CB 3.91Å; L291-L449 HydrophobicContact CD2-CD1 4.45Å; T292-L449 PolarHBondContact N-O 3.38Å; L447-L449 HydrophobicContact CD1-CD1 4.27Å; L447-L449 HydrophobicContact CD1-CD2 3.88Å; L447-L449 HydrophobicContact CD1-CG 3.93Å; L447-L449 HydrophobicContact CD2-CD1 4.08Å; L447-L449 HydrophobicContact CG-CD1 4.02Å; L447-L449 HydrophobicContact CG-CG 4.03Å
450	P	98.5	Very high	97.1	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.032	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	144.4	175.8	32	-35	0	0	0	111.2	T292 I399 L405 V408	T292-P450 HydrophobicContact CG2-CB 4.46Å; T292-P450 CarbonylContact O-C 3.58Å; T292-P450 WeakPolarHBondContact O-CA 3.25Å; I399-P450 HydrophobicContact CB-CB 4.43Å; I399-P450 HydrophobicContact CD1-CB 3.96Å; I399-P450 HydrophobicContact CG2-CB 3.97Å; L405-P450 VanDerWaalsContact CD2-CD 3.41Å; L405-P450 HydrophobicContact CD2-CG 3.91Å; V408-P450 HydrophobicContact CG1-CB 4.06Å; V408-P450 HydrophobicContact CG1-CG 4.39Å; V408-P450 HydrophobicContact CG2-CB 4.26Å; V408-P450 HydrophobicContact CG2-CG 4.17Å
451	V	98.8	Very high	96.9	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.024	22%	0.224	C	C	.	.			trans	-112.5	127.7	177	-177.7	0	0	0	0	109.3	L266 L291 T292 T300 M301 L304	L266-V451 HydrophobicContact CD1-CG2 4.26Å; L291-V451 HydrophobicContact CB-CG2 3.98Å; L291-V451 HydrophobicContact CD1-CG2 4.35Å; L291-V451 HydrophobicContact CD2-CG2 4.37Å; L291-V451 HydrophobicContact CG-CG2 4.47Å; T292-V451 PolarHBondContact O-N 2.91Å; T300-V451 HydrophobicContact CG2-CG1 3.8Å; M301-V451 HydrophobicContact CB-CB 4.22Å; M301-V451 HydrophobicContact CB-CG1 4.15Å; M301-V451 HydrophobicContact CB-CG2 4.28Å; M301-V451 HydrophobicContact CG-CG2 4.16Å; L304-V451 HydrophobicContact CD2-CG1 3.98Å; L304-V451 HydrophobicContact CD2-CG2 3.87Å
452	A	98.3	Very high	96.6	Very high	36 Å²	36	49 Å²	49	30%	0.298	26%	0.262	S	S	.	.			trans	-88.9	156	172	0	0	0	0	0	110.3	N261 Q262 T300	N261-A452 HydrophobicContact CB-CB 4.48Å; Q262-A452 PolarHBondContact NE2-O 2.91Å; T300-A452 VanDerWaalsContact CG2-O 3.31Å; T300-A452 WeakPolarHBondContact CG2-O 3.4Å
453	A	98.3	Very high	96.6	Very high	13 Å²	13	48.6 Å²	48.6	11%	0.107	25%	0.254	C	S	.	.			trans	-69.6	141.4	178.4	0	0	0	0	0	112	N261 A297 E458	N261-A453 PolarHBondContact ND2-O 3.35Å; N261-A453 VanDerWaalsContact ND2-O 3.13Å; A297-A453 HydrophobicContact CB-CB 3.93Å; A453-E458 HydrophobicContact CB-CG 4.45Å
454	E	98.3	Very high	96.7	Very high	11 Å²	11	49 Å²	49	5%	0.051	26%	0.26	C	S	.	.			trans	-110.2	104.8	163.8	-60.8	-63.2	168.9	0	0	108.2	F259 P260 N261 Q262 T300 R456 I457 E458	F259-E454 WeakPolarHBondContact CA-OE1 3.47Å; F259-E454 HydrophobicContact CB-CG 4.28Å; F259-E454 HydrophobicContact CD1-CG 3.84Å; F259-E454 HydrophobicContact CG-CG 4.46Å; P260-E454 VanDerWaalsContact CD-OE2 3.25Å; P260-E454 WeakPolarHBondContact CD-OE2 3.3Å; P260-E454 WeakPolarHBondContact CG-OE2 3.49Å; P260-E454 VanDerWaalsContact N-OE1 3.14Å; N261-E454 WeakPolarHBondContact CA-OE1 3.48Å; N261-E454 WeakPolarHBondContact CB-OE1 3.35Å; N261-E454 PolarHBondContact N-OE1 2.92Å; N261-E454 PolarHBondContact ND2-OE2 3.11Å; Q262-E454 PolarHBondContact NE2-OE1 3.35Å; T300-E454 HydrophobicContact CG2-CB 4Å; T300-E454 HydrophobicContact CG2-CG 3.59Å; T300-E454 PolarHBondContact OG1-N 2.91Å; E454-R456 PolarHBondContact O-N 3.28Å; E454-I457 HydrophobicContact CB-CB 3.99Å; E454-I457 HydrophobicContact CB-CD1 3.82Å; E454-I457 HydrophobicContact CB-CG1 3.86Å; E454-I457 HydrophobicContact CG-CD1 3.98Å; E454-I457 WeakPolarHBondContact O-CA 3.44Å; E454-I457 PolarHBondContact O-N 3.01Å; E454-E458 PolarHBondContact O-N 3.46Å
455	D	96.7	Very high	96.7	Very high	95 Å²	95	51.7 Å²	51.7	51%	0.508	27%	0.274	S	S	.	.	H	α-helix	trans	-50.7	-39.9	-172.6	-68.2	-32.5	0	0	0	113.1	E458 Q459	D455-E458 PolarHBondContact O-N 3.47Å; D455-Q459 VanDerWaalsContact O-CG 3.3Å; D455-Q459 WeakPolarHBondContact O-CG 3.26Å; D455-Q459 PolarHBondContact O-N 3.3Å; D455-Q459 VanDerWaalsContact O-N 3.08Å
456	R	97	Very high	96.8	Very high	176 Å²	176	53.6 Å²	53.6	66%	0.664	28%	0.282	S	S	*	.	H	α-helix	trans	-63.6	-42.5	177.8	-174.7	-178.9	166.8	-165.8	-8.1	112.3	E454 Q459 E460	E454-R456 PolarHBondContact O-N 3.28Å; R456-Q459 PolarHBondContact O-N 3.05Å; R456-E460 HydrophobicContact CG-CG 4.33Å; R456-E460 WeakPolarHBondContact CG-OE2 3.28Å; R456-E460 IonicContact CZ-OE2 2.76Å; R456-E460 IonicContact NE-OE1 2.72Å; R456-E460 IonicContact NE-OE2 3.02Å; R456-E460 PolarHBondContact NE-OE2 3.41Å; R456-E460 IonicContact NH2-OE2 3.39Å; R456-E460 PolarHBondContact NH2-OE2 3.2Å; R456-E460 VanDerWaalsContact O-CB 3.32Å; R456-E460 WeakPolarHBondContact O-CB 3.49Å; R456-E460 PolarHBondContact O-N 2.99Å
457	I	97.9	Very high	96.9	Very high	18 Å²	18	53.1 Å²	53.1	9%	0.092	28%	0.282	C	S	.	.	H	α-helix	trans	-72.5	-37	-179.5	-60.5	-178.4	0	0	0	110.2	F259 C303 E454 Q459 G461	F259-I457 HydrophobicContact CD1-CD1 3.51Å; F259-I457 HydrophobicContact CE1-CD1 3.18Å; F259-I457 HydrophobicContact CE2-CD1 4.49Å; F259-I457 HydrophobicContact CG-CD1 4.29Å; F259-I457 HydrophobicContact CZ-CD1 3.72Å; C303-I457 HydrophobicContact CB-CG2 3.97Å; C303-I457 WeakPolarHBondContact SG-CG2 3.29Å; E454-I457 HydrophobicContact CB-CB 3.99Å; E454-I457 HydrophobicContact CB-CD1 3.82Å; E454-I457 HydrophobicContact CB-CG1 3.86Å; E454-I457 HydrophobicContact CG-CD1 3.98Å; E454-I457 WeakPolarHBondContact O-CA 3.44Å; E454-I457 PolarHBondContact O-N 3.01Å; I457-Q459 PolarHBondContact O-N 3.34Å; I457-G461 VanDerWaalsContact O-CA 3.3Å; I457-G461 WeakPolarHBondContact O-CA 3.46Å; I457-G461 PolarHBondContact O-N 3.49Å
458	E	97.6	Very high	96.9	Very high	36 Å²	36	55.9 Å²	55.9	17%	0.168	30%	0.297	C	S	.	.	H	α-helix	trans	-62.2	-32	174	-64.4	-54	143	0	0	111.9	R296 A297 R299 T300 A453 E454 D455	R296-E458 VanDerWaalsContact O-CG 3.32Å; R296-E458 WeakPolarHBondContact O-CG 3.46Å; A297-E458 VanDerWaalsContact C-OE1 3.23Å; A297-E458 VanDerWaalsContact CA-OE1 3.31Å; A297-E458 WeakPolarHBondContact CA-OE1 3.21Å; R299-E458 VanDerWaalsContact CB-OE2 3.23Å; R299-E458 WeakPolarHBondContact CB-OE2 3.48Å; R299-E458 VanDerWaalsContact CD-O 3.24Å; R299-E458 WeakPolarHBondContact CD-O 3.26Å; R299-E458 WeakPolarHBondContact CG-OE2 3.31Å; R299-E458 PolarHBondContact N-OE1 2.87Å; R299-E458 PolarHBondContact N-OE2 3.44Å; R299-E458 PolarHBondContact NH1-O 2.94Å; T300-E458 WeakPolarHBondContact CA-OE1 3.41Å; T300-E458 WeakPolarHBondContact CB-OE1 3.4Å; T300-E458 PolarHBondContact N-OE1 2.9Å; T300-E458 PolarHBondContact OG1-OE1 3.18Å; A453-E458 HydrophobicContact CB-CG 4.45Å; E454-E458 PolarHBondContact O-N 3.46Å; D455-E458 PolarHBondContact O-N 3.47Å
459	Q	96.2	Very high	96.8	Very high	148 Å²	148	59.3 Å²	59.3	69%	0.692	32%	0.315	S	S	*	.	H	α-helix	trans	-86.2	-47.6	178.5	-68.7	173.7	14.3	0	0	113.4	D455 R456 I457	D455-Q459 VanDerWaalsContact O-CG 3.3Å; D455-Q459 WeakPolarHBondContact O-CG 3.26Å; D455-Q459 PolarHBondContact O-N 3.3Å; D455-Q459 VanDerWaalsContact O-N 3.08Å; R456-Q459 PolarHBondContact O-N 3.05Å; I457-Q459 PolarHBondContact O-N 3.34Å
460	E	95.6	Very high	96.7	Very high	128 Å²	128	63.8 Å²	63.8	60%	0.598	34%	0.339	S	S	*	.	H	α-helix	trans	-97.6	-18.3	-168.3	-60.9	176.1	-176.1	0	0	113.7	R456	R456-E460 HydrophobicContact CG-CG 4.33Å; R456-E460 WeakPolarHBondContact CG-OE2 3.28Å; R456-E460 IonicContact CZ-OE2 2.76Å; R456-E460 IonicContact NE-OE1 2.72Å; R456-E460 IonicContact NE-OE2 3.02Å; R456-E460 PolarHBondContact NE-OE2 3.41Å; R456-E460 IonicContact NH2-OE2 3.39Å; R456-E460 PolarHBondContact NH2-OE2 3.2Å; R456-E460 VanDerWaalsContact O-CB 3.32Å; R456-E460 WeakPolarHBondContact O-CB 3.49Å; R456-E460 PolarHBondContact O-N 2.99Å
461	G	91.6	Very high	96.5	Very high	27 Å²	27	68.7 Å²	68.7	28%	0.278	36%	0.364	S	S	.	.			trans	85.6	-166.9	-171.1	0	0	0	0	0	113.6	I457	I457-G461 VanDerWaalsContact O-CA 3.3Å; I457-G461 WeakPolarHBondContact O-CA 3.46Å; I457-G461 PolarHBondContact O-N 3.49Å
462	C	92	Very high	96.3	Very high	132 Å²	132	74.5 Å²	74.5	89%	0.892	40%	0.395	S	S	*	.			trans	-83.7	0	170.4	-26.4	0	0	0	0	109.9	C303	C303-C462 WeakPolarHBondContact CA-SG 3.28Å; C303-C462 HydrophobicContact CB-CB 3.84Å; C303-C462 WeakPolarHBondContact CB-SG 3.36Å; C303-C462 VanDerWaalsContact SG-CA 3.51Å; C303-C462 WeakPolarHBondContact SG-CB 3.45Å; C303-C462 PolarHBondContact SG-N 3.2Å; C303-C462 VanDerWaalsContact SG-N 3.4Å; C303-C462 CovalentContact SG-SG 2.02Å; C303-C462 PolarHBondContact SG-SG 3.41Å

Retrieved 462 of 462 residues in 2416.7 ms (Link to these results)

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