A0A096MZS2_PAPAN Loading...

peptidylprolyl isomerase

AlphaFold DB , UniProt , Accession A0A096MZS2, Species PAPAN (Papio anubis, Olive baboon), Gene FKBP4, Length 459 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	39.8	Very low	35.7	Very low	249 Å²	249	163.9 Å²	163.9	100%	1.227	90%	0.901	S	S	*	*				0	132	0	-74.6	-169.7	-89.4	0	0	107.2
2	T	35.3	Very low	35.7	Very low	128 Å²	128	156.8 Å²	156.8	79%	0.785	89%	0.893	S	S	*	*			trans	-80	161.5	-160.2	35.8	0	0	0	0	113.7	E4	T2-E4 VanDerWaalsContact C-N 3.26Å; T2-E4 PolarHBondContact O-N 2.91Å
3	A	34.8	Very low	35.6	Very low	108 Å²	108	152.1 Å²	152.1	89%	0.893	89%	0.885	S	S	*	*	S	Bend	trans	-73.4	56.5	-172.3	0	0	0	0	0	114.8
4	E	37.4	Very low	35.7	Very low	174 Å²	174	155.1 Å²	155.1	81%	0.813	89%	0.886	S	S	*	*			trans	-115.1	1.7	176.5	-91.6	-179.1	152.2	0	0	115.2	T2	T2-E4 VanDerWaalsContact C-N 3.26Å; T2-E4 PolarHBondContact O-N 2.91Å
5	E	33.4	Very low	36.5	Very low	195 Å²	195	148.7 Å²	148.7	91%	0.911	86%	0.855	S	S	*	*	S	Bend	trans	-105	27	178.2	-73.3	-175.3	151.3	0	0	114.6
6	M	35.3	Very low	37.4	Very low	187 Å²	187	144.4 Å²	144.4	92%	0.921	84%	0.843	S	S	*	*	S	Bend	trans	-115.6	24.6	176.3	-85.7	-172	144.8	0	0	114.8
7	K	35.8	Very low	38.9	Very low	204 Å²	204	141.9 Å²	141.9	89%	0.887	83%	0.833	S	S	*	*			trans	-138.9	80.7	172.8	-98.8	-174.2	173.8	-178	0	111.8
8	A	30.6	Very low	40.7	Very low	94 Å²	94	137.4 Å²	137.4	78%	0.777	80%	0.804	S	S	*	*			trans	-167.7	68	157.4	0	0	0	0	0	109.8
9	T	31.2	Very low	42.1	Very low	149 Å²	149	134.6 Å²	134.6	91%	0.914	79%	0.79	S	S	*	*			trans	-125.9	57.2	158.1	35.4	0	0	0	0	108.3
10	E	40.9	Very low	43.9	Very low	183 Å²	183	133.2 Å²	133.2	86%	0.855	78%	0.778	S	S	*	*			trans	-127.1	144	157.2	-85.5	-173.8	164.5	0	0	107.6
11	S	38.4	Very low	45.6	Very low	132 Å²	132	132.5 Å²	132.5	92%	0.923	77%	0.767	S	S	*	*	S	Bend	trans	81.5	106.7	-176	79.2	0	0	0	0	115.3
12	G	35.5	Very low	48.1	Very low	78 Å²	78	122.4 Å²	122.4	80%	0.804	73%	0.728	S	S	*	*			trans	147.7	21.3	167.7	0	0	0	0	0	117.8	Q14	G12-Q14 PolarHBondContact O-N 3.27Å
13	A	34.7	Very low	51	Low	96 Å²	96	121.3 Å²	121.3	79%	0.793	72%	0.72	S	S	*	*			trans	-85.3	87.9	162.8	0	0	0	0	0	108.3	S15	A13-S15 PolarHBondContact O-N 3.39Å
14	Q	36.9	Very low	53.9	Low	194 Å²	194	117.5 Å²	117.5	91%	0.907	69%	0.685	S	S	*	*			trans	-66.6	93.7	154.5	-78.5	178	-16.7	0	0	106	G12 A16	G12-Q14 PolarHBondContact O-N 3.27Å; Q14-A16 PolarHBondContact O-N 3.02Å
15	S	46.8	Very low	56.8	Low	60 Å²	60	111 Å²	111	42%	0.42	66%	0.656	S	S	.	*	P	Polyproline II helix	trans	-61.8	128.6	172.1	28	0	0	0	0	108.7	A13 D63	A13-S15 PolarHBondContact O-N 3.39Å; S15-D63 VanDerWaalsContact CB-O 3.3Å; S15-D63 WeakPolarHBondContact CB-O 3.3Å; S15-D63 PolarHBondContact OG-O 2.79Å
16	A	52	Low	59.8	Low	80 Å²	80	101.8 Å²	101.8	66%	0.661	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-59.2	144.4	174.8	0	0	0	0	0	109.5	Q14 L18	Q14-A16 PolarHBondContact O-N 3.02Å; A16-L18 PolarHBondContact O-N 3.23Å
17	P	62	Low	62.6	Low	102 Å²	102	97.9 Å²	97.9	66%	0.662	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-53.9	132.9	176.7	-24.3	32.4	0	0	0	111	L62	P17-L62 CarbonylContact C-O 3.59Å; P17-L62 WeakPolarHBondContact CA-O 3.09Å
18	L	72.3	Confident	65.5	Low	60 Å²	60	95.9 Å²	95.9	31%	0.314	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-62.1	130	174.9	-75.4	166.9	0	0	0	109.3	A16 W60 L62 V129	A16-L18 PolarHBondContact O-N 3.23Å; L18-W60 HydrophobicContact CD1-CB 3.92Å; L18-W60 HydrophobicContact CD1-CG 4.49Å; L18-L62 PolarHBondContact N-O 2.91Å; L18-V129 HydrophobicContact CB-CG2 4.29Å; L18-V129 HydrophobicContact CD1-CB 3.96Å; L18-V129 HydrophobicContact CD1-CG1 4.2Å; L18-V129 HydrophobicContact CD1-CG2 4.05Å
19	P	67.3	Low	68.6	Low	84 Å²	84	97.8 Å²	97.8	55%	0.545	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-66.7	135.9	-179.2	25.4	-31.9	0	0	0	110.9	E21	P19-E21 HydrophobicContact CB-CG 4.28Å; P19-E21 PolarHBondContact O-N 3.05Å
20	I	77.7	Confident	71.7	Confident	106 Å²	106	93.7 Å²	93.7	54%	0.544	56%	0.558	S	S	.	*			trans	-84.3	104.2	174.3	-58.8	176.1	0	0	0	107.3	L34 L62 T106	I20-L34 HydrophobicContact CG2-CD1 3.48Å; I20-L34 VanDerWaalsContact CG2-CD1 3.48Å; I20-L62 HydrophobicContact CG1-CD2 4.32Å; I20-T106 HydrophobicContact CG2-CG2 4.35Å
21	E	80.3	Confident	74.3	Confident	119 Å²	119	90.7 Å²	90.7	56%	0.556	54%	0.543	S	S	*	.			trans	-138.5	150.9	-179.5	-66.2	177	-176.3	0	0	109.3	P19 V36	P19-E21 HydrophobicContact CB-CG 4.28Å; P19-E21 PolarHBondContact O-N 3.05Å; E21-V36 HydrophobicContact CB-CG2 4.28Å; E21-V36 VanDerWaalsContact O-CG2 3.27Å; E21-V36 WeakPolarHBondContact O-CG2 3.36Å
22	G	91.1	Very high	77	Confident	38 Å²	38	84.4 Å²	84.4	39%	0.392	50%	0.499	S	S	.	.			trans	142.5	170.7	170.9	0	0	0	0	0	115.1	K35	G22-K35 CarbonylContact C-O 3.58Å; G22-K35 VanDerWaalsContact CA-O 3.28Å; G22-K35 WeakPolarHBondContact CA-O 3.41Å
23	V	95.9	Very high	80	Confident	105 Å²	105	80.7 Å²	80.7	64%	0.636	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	132.7	171.8	-179.7	0	0	0	0	108.2	I25 L34 K35	V23-I25 PolarHBondContact O-N 3.22Å; V23-L34 WeakPolarHBondContact O-CA 3.35Å; V23-K35 PolarHBondContact N-O 3.17Å; V23-K35 PolarHBondContact O-N 3.24Å
24	D	97.2	Very high	83	Confident	27 Å²	27	76.9 Å²	76.9	14%	0.144	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	116.1	174.7	-174.3	14.6	0	0	0	111.1	S26 Q29 D30 E31 L34	D24-S26 WeakPolarHBondContact OD1-CB 3.46Å; D24-S26 PolarHBondContact OD1-N 3.33Å; D24-S26 PolarHBondContact OD1-OG 3.21Å; D24-Q29 PolarHBondContact O-NE2 2.78Å; D24-Q29 WeakPolarHBondContact OD2-CA 3.12Å; D24-D30 PolarHBondContact OD2-N 3.17Å; D24-D30 VanDerWaalsContact OD2-N 3.15Å; D24-E31 WeakPolarHBondContact OD2-CA 3.38Å; D24-E31 PolarHBondContact OD2-N 2.66Å; D24-L34 HydrophobicContact CB-CD2 3.75Å
25	I	97.1	Very high	85.9	Confident	39 Å²	39	68.5 Å²	68.5	20%	0.2	39%	0.388	C	S	.	.			trans	-110.3	8.6	178.8	59.9	165.5	0	0	0	111.8	V23 V33 K35 I92 A93 T96	V23-I25 PolarHBondContact O-N 3.22Å; I25-V33 HydrophobicContact CD1-CG1 3.95Å; I25-V33 HydrophobicContact CG1-CB 4.12Å; I25-V33 HydrophobicContact CG1-CG1 3.77Å; I25-V33 WeakPolarHBondContact CG1-O 3.47Å; I25-V33 PolarHBondContact N-O 2.91Å; I25-K35 HydrophobicContact CD1-CB 3.82Å; I25-K35 HydrophobicContact CD1-CD 4.03Å; I25-K35 HydrophobicContact CD1-CG 4.48Å; I25-K35 HydrophobicContact CG1-CB 4.23Å; I25-K35 HydrophobicContact CG2-CB 4.33Å; I25-I92 HydrophobicContact CD1-CG2 4.12Å; I25-I92 HydrophobicContact CG1-CG2 4.15Å; I25-I92 VanDerWaalsContact O-CG2 3.22Å; I25-I92 WeakPolarHBondContact O-CG2 3.47Å; I25-A93 HydrophobicContact CD1-CB 3.82Å; I25-T96 HydrophobicContact CD1-CG2 4.48Å
26	S	96.6	Very high	88.3	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	38%	0.379	C	S	.	.			trans	-68.1	140.5	177.1	99.4	0	0	0	0	110.5	D24 K28 Q29 D30	D24-S26 WeakPolarHBondContact OD1-CB 3.46Å; D24-S26 PolarHBondContact OD1-N 3.33Å; D24-S26 PolarHBondContact OD1-OG 3.21Å; S26-K28 PolarHBondContact O-N 2.72Å; S26-K28 VanDerWaalsContact O-N 3.11Å; S26-Q29 PolarHBondContact O-N 2.71Å; S26-Q29 PolarHBondContact O-NE2 2.85Å; S26-Q29 PolarHBondContact OG-N 2.99Å; S26-Q29 VanDerWaalsContact OG-N 3.09Å; S26-D30 VanDerWaalsContact CB-OD1 3.31Å; S26-D30 WeakPolarHBondContact CB-OD1 3.21Å; S26-D30 PolarHBondContact OG-N 3.2Å; S26-D30 PolarHBondContact OG-OD1 3.41Å
27	P	94.2	Very high	90.5	Very high	105 Å²	105	67 Å²	67	68%	0.682	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.3	178.3	-27.4	34.6	0	0	0	113.9	I92	P27-I92 HydrophobicContact CG-CD1 4.26Å; P27-I92 HydrophobicContact CG-CG1 4.43Å
28	K	96	Very high	92.2	Very high	163 Å²	163	67.4 Å²	67.4	71%	0.709	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-6.6	-179.3	-67.4	-176.6	-179.4	178.1	0	113.7	S26 D30	S26-K28 PolarHBondContact O-N 2.72Å; S26-K28 VanDerWaalsContact O-N 3.11Å; K28-D30 VanDerWaalsContact C-N 3.29Å; K28-D30 HydrophobicContact CB-CB 4.27Å; K28-D30 PolarHBondContact O-N 2.54Å
29	Q	96.1	Very high	93.4	Very high	134 Å²	134	70.4 Å²	70.4	63%	0.626	36%	0.363	S	S	*	.			trans	53.3	47.5	-174.7	-59.8	-70.4	-67.2	0	0	111.8	D24 S26	D24-Q29 PolarHBondContact O-NE2 2.78Å; D24-Q29 WeakPolarHBondContact OD2-CA 3.12Å; S26-Q29 PolarHBondContact O-N 2.71Å; S26-Q29 PolarHBondContact O-NE2 2.85Å; S26-Q29 PolarHBondContact OG-N 2.99Å; S26-Q29 VanDerWaalsContact OG-N 3.09Å
30	D	96.1	Very high	94.8	Very high	63 Å²	63	72.4 Å²	72.4	34%	0.337	37%	0.365	S	S	.	.	S	Bend	trans	-109.8	14	-175.3	62.2	2.2	0	0	0	113.1	D24 S26 K28 G32 K108 Y111	D24-D30 PolarHBondContact OD2-N 3.17Å; D24-D30 VanDerWaalsContact OD2-N 3.15Å; S26-D30 VanDerWaalsContact CB-OD1 3.31Å; S26-D30 WeakPolarHBondContact CB-OD1 3.21Å; S26-D30 PolarHBondContact OG-N 3.2Å; S26-D30 PolarHBondContact OG-OD1 3.41Å; K28-D30 VanDerWaalsContact C-N 3.29Å; K28-D30 HydrophobicContact CB-CB 4.27Å; K28-D30 PolarHBondContact O-N 2.54Å; D30-G32 PolarHBondContact O-N 3.3Å; D30-G32 VanDerWaalsContact O-N 3.11Å; D30-G32 WeakPolarHBondContact OD1-CA 3.12Å; D30-G32 PolarHBondContact OD1-N 3.29Å; D30-K108 PolarHBondContact O-NZ 3.25Å; D30-Y111 VanDerWaalsContact CG-OH 3.23Å; D30-Y111 WeakPolarHBondContact OD1-CE2 3.45Å; D30-Y111 PolarHBondContact OD1-OH 2.99Å; D30-Y111 VanDerWaalsContact OD1-OH 3.07Å; D30-Y111 WeakPolarHBondContact OD2-CE2 3.32Å; D30-Y111 PolarHBondContact OD2-OH 3.05Å
31	E	96	Very high	95.7	Very high	119 Å²	119	68 Å²	68	56%	0.556	35%	0.346	S	S	*	.	S	Bend	trans	54.7	25.8	-173.7	-55.1	178.3	142.1	0	0	112.5	D24 V33 L34 K108	D24-E31 WeakPolarHBondContact OD2-CA 3.38Å; D24-E31 PolarHBondContact OD2-N 2.66Å; E31-V33 VanDerWaalsContact C-N 3.32Å; E31-L34 HydrophobicContact CB-CD2 4.05Å; E31-L34 HydrophobicContact CG-CD2 4.45Å; E31-K108 WeakPolarHBondContact O-CE 3.36Å; E31-K108 PolarHBondContact O-NZ 3Å
32	G	96.3	Very high	96.3	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.35	C	S	.	.	S	Bend	trans	-71.3	-28.3	179.9	0	0	0	0	0	113.6	D30 K108	D30-G32 PolarHBondContact O-N 3.3Å; D30-G32 VanDerWaalsContact O-N 3.11Å; D30-G32 WeakPolarHBondContact OD1-CA 3.12Å; D30-G32 PolarHBondContact OD1-N 3.29Å; G32-K108 PolarHBondContact O-N 3.02Å
33	V	97.9	Very high	96.4	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	104.1	-179.3	-171.3	0	0	0	0	108.6	I25 E31 A89 I92 A93 I105 T106 Y111	I25-V33 HydrophobicContact CD1-CG1 3.95Å; I25-V33 HydrophobicContact CG1-CB 4.12Å; I25-V33 HydrophobicContact CG1-CG1 3.77Å; I25-V33 WeakPolarHBondContact CG1-O 3.47Å; I25-V33 PolarHBondContact N-O 2.91Å; E31-V33 VanDerWaalsContact C-N 3.32Å; V33-A89 HydrophobicContact CG1-CB 4.16Å; V33-A89 HydrophobicContact CG2-CB 3.83Å; V33-I92 HydrophobicContact CG2-CD1 4.05Å; V33-A93 HydrophobicContact CG1-CB 4.43Å; V33-I105 HydrophobicContact CG1-CG2 3.84Å; V33-T106 WeakPolarHBondContact CA-O 3.16Å; V33-Y111 HydrophobicContact CG2-CD1 3.73Å; V33-Y111 HydrophobicContact CG2-CD2 4.37Å; V33-Y111 HydrophobicContact CG2-CE1 4.35Å; V33-Y111 HydrophobicContact CG2-CG 3.74Å
34	L	97.8	Very high	96	Very high	16 Å²	16	69.4 Å²	69.4	8%	0.084	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	134.5	177.5	-56.1	179.3	0	0	0	110	I20 V23 D24 E31 I105 T106	I20-L34 HydrophobicContact CG2-CD1 3.48Å; I20-L34 VanDerWaalsContact CG2-CD1 3.48Å; V23-L34 WeakPolarHBondContact O-CA 3.35Å; D24-L34 HydrophobicContact CB-CD2 3.75Å; E31-L34 HydrophobicContact CB-CD2 4.05Å; E31-L34 HydrophobicContact CG-CD2 4.45Å; L34-I105 CarbonylContact O-C 3.59Å; L34-I105 WeakPolarHBondContact O-CA 3.36Å; L34-T106 PolarHBondContact N-O 2.93Å; L34-T106 PolarHBondContact O-N 3.09Å
35	K	97.7	Very high	95.8	Very high	18 Å²	18	72.4 Å²	72.4	8%	0.078	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	135.9	-179.4	-174.3	-177.4	176.7	-168.5	0	111.8	G22 V23 I25 T96 E101 C103 H104	G22-K35 CarbonylContact C-O 3.58Å; G22-K35 VanDerWaalsContact CA-O 3.28Å; G22-K35 WeakPolarHBondContact CA-O 3.41Å; V23-K35 PolarHBondContact N-O 3.17Å; V23-K35 PolarHBondContact O-N 3.24Å; I25-K35 HydrophobicContact CD1-CB 3.82Å; I25-K35 HydrophobicContact CD1-CD 4.03Å; I25-K35 HydrophobicContact CD1-CG 4.48Å; I25-K35 HydrophobicContact CG1-CB 4.23Å; I25-K35 HydrophobicContact CG2-CB 4.33Å; K35-T96 WeakPolarHBondContact CD-OG1 3.11Å; K35-T96 PolarHBondContact NZ-O 2.91Å; K35-T96 PolarHBondContact NZ-OG1 3.01Å; K35-E101 WeakPolarHBondContact CE-OE1 3.43Å; K35-E101 IonicContact NZ-OE1 3.12Å; K35-E101 PolarHBondContact NZ-OE1 2.88Å; K35-E101 IonicContact NZ-OE2 2.65Å; K35-C103 HydrophobicContact CG-CB 4.14Å; K35-H104 WeakPolarHBondContact CA-O 3.45Å
36	V	97.4	Very high	95.7	Very high	37 Å²	37	74.6 Å²	74.6	22%	0.224	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	118.5	169.7	179	0	0	0	0	108.9	E21 K38 C103 H104	E21-V36 HydrophobicContact CB-CG2 4.28Å; E21-V36 VanDerWaalsContact O-CG2 3.27Å; E21-V36 WeakPolarHBondContact O-CG2 3.36Å; V36-K38 HydrophobicContact CG1-CD 4.31Å; V36-K38 PolarHBondContact O-N 2.86Å; V36-C103 CarbonylContact O-C 3.49Å; V36-C103 VanDerWaalsContact O-CA 3.28Å; V36-C103 WeakPolarHBondContact O-CA 3.36Å; V36-C103 WeakPolarHBondContact O-CB 3.15Å; V36-H104 HydrophobicContact CB-CB 4.41Å; V36-H104 PolarHBondContact N-O 3.25Å; V36-H104 PolarHBondContact O-N 3.26Å
37	I	97.3	Very high	95.7	Very high	71 Å²	71	74.9 Å²	74.9	36%	0.364	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	125.4	173.9	-58.6	175.2	0	0	0	108.6	R39 E40 E101	I37-R39 WeakPolarHBondContact CG2-O 3.46Å; I37-E40 HydrophobicContact CG2-CG 4.4Å; I37-E101 HydrophobicContact CG2-CG 4.15Å
38	K	97.3	Very high	95.8	Very high	112 Å²	112	72 Å²	72	49%	0.487	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-33.7	175.2	-64.5	-57.2	-173.4	-175.1	0	111.8	V36 V102 H104	V36-K38 HydrophobicContact CG1-CD 4.31Å; V36-K38 PolarHBondContact O-N 2.86Å; K38-V102 WeakPolarHBondContact CA-O 3.46Å; K38-V102 HydrophobicContact CB-CG1 4.33Å; K38-V102 PolarHBondContact N-O 3.05Å; K38-H104 VanDerWaalsContact CE-CE1 3.45Å; K38-H104 WeakPolarHBondContact CE-CE1 3.49Å; K38-H104 WeakPolarHBondContact CE-ND1 3.37Å
39	R	97.6	Very high	95.7	Very high	123 Å²	123	67 Å²	67	46%	0.464	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	127.8	172.6	-171.1	177.2	69.9	-155.7	3.3	108.9	I37 G100 E101 V102 E133	I37-R39 WeakPolarHBondContact CG2-O 3.46Å; R39-G100 PolarHBondContact NE-O 2.93Å; R39-G100 PolarHBondContact NH2-O 3.44Å; R39-E101 WeakPolarHBondContact O-CA 3.48Å; R39-E101 VanDerWaalsContact O-CG 3.3Å; R39-E101 WeakPolarHBondContact O-CG 3.2Å; R39-V102 HydrophobicContact CB-CB 3.97Å; R39-V102 HydrophobicContact CB-CG2 4.13Å; R39-V102 VanDerWaalsContact CZ-CG2 3.41Å; R39-V102 PolarHBondContact N-O 3.45Å; R39-V102 VanDerWaalsContact NH2-CG2 3.28Å; R39-V102 PolarHBondContact O-N 3.17Å; R39-E133 IonicContact CZ-OE1 2.71Å; R39-E133 IonicContact NH1-OE1 2.99Å; R39-E133 IonicContact NH2-OE1 3.44Å; R39-E133 PolarHBondContact NH2-OE1 3.16Å
40	E	97.3	Very high	95.6	Very high	126 Å²	126	60.7 Å²	60.7	59%	0.589	32%	0.322	S	S	*	.			trans	-64.4	142.1	175.6	-69.9	-66.3	161	0	0	111.3	I37	I37-E40 HydrophobicContact CG2-CG 4.4Å
41	G	95.8	Very high	95.6	Very high	14 Å²	14	57.7 Å²	57.7	14%	0.144	31%	0.305	C	S	.	.			trans	-83.8	-178.6	168.7	0	0	0	0	0	112.5	V99	G41-V99 CarbonylContact C-O 3.56Å; G41-V99 VanDerWaalsContact CA-O 3.25Å; G41-V99 WeakPolarHBondContact CA-O 3.19Å
42	T	94.3	Very high	95.7	Very high	104 Å²	104	56.2 Å²	56.2	64%	0.638	30%	0.295	S	S	*	.	B	Isolated β-bridge	trans	-117.6	162.4	179.1	62.1	0	0	0	0	111.4	V99	T42-V99 PolarHBondContact N-O 3.44Å; T42-V99 PolarHBondContact OG1-O 2.82Å
43	G	91.6	Very high	95.7	Very high	54 Å²	54	56.2 Å²	56.2	56%	0.557	30%	0.295	S	S	*	.	S	Bend	trans	81.6	-178.6	-178.2	0	0	0	0	0	114.2	K98	G43-K98 WeakPolarHBondContact O-CD 3.13Å
44	T	89.4	Confident	95.7	Very high	132 Å²	132	58.3 Å²	58.3	81%	0.81	30%	0.304	S	S	*	.	S	Bend	trans	-114.9	-12.2	-177.3	53.2	0	0	0	0	113.1
45	E	92.4	Very high	95.7	Very high	90 Å²	90	57.5 Å²	57.5	42%	0.421	30%	0.3	S	S	.	.			trans	-89.1	150.7	-179.9	-59.7	-152.7	127.7	0	0	111.7	F137 R153	E45-F137 HydrophobicContact CB-CZ 3.88Å; E45-R153 VanDerWaalsContact CD-NH1 3.26Å; E45-R153 IonicContact OE1-CZ 2.8Å; E45-R153 IonicContact OE1-NH1 3.87Å; E45-R153 PolarHBondContact OE1-NH1 2.82Å; E45-R153 IonicContact OE1-NH2 3.95Å; E45-R153 PolarHBondContact OE1-NH2 3.03Å; E45-R153 IonicContact OE2-CZ 3.97Å; E45-R153 IonicContact OE2-NH1 3.69Å; E45-R153 PolarHBondContact OE2-NH1 3.16Å; E45-R153 IonicContact OE2-NH2 2.74Å
46	M	95.5	Very high	95.7	Very high	85 Å²	85	58 Å²	58	42%	0.419	30%	0.302	S	S	.	.			trans	-128.7	151.6	174.1	-64.5	177.3	-68.4	0	0	108.3	K98	M46-K98 HydrophobicContact CG-CG 4.36Å
47	P	96.7	Very high	95.7	Very high	7 Å²	7	57.3 Å²	57.3	5%	0.045	30%	0.296	C	S	.	.			trans	-54.5	138.3	175.1	-24.4	32.6	0	0	0	112.3	V53 L81 M97 L134 F137	P47-V53 HydrophobicContact CB-CG1 3.81Å; P47-V53 HydrophobicContact CG-CG1 4.04Å; P47-L81 HydrophobicContact CB-CD2 3.45Å; P47-L81 VanDerWaalsContact CB-CD2 3.45Å; P47-M97 WeakPolarHBondContact CD-O 3.35Å; P47-L134 HydrophobicContact CG-CD2 3.7Å; P47-F137 HydrophobicContact CB-CB 4.27Å; P47-F137 HydrophobicContact CB-CD1 4.39Å; P47-F137 HydrophobicContact CB-CD2 4.39Å; P47-F137 HydrophobicContact CB-CG 4.12Å; P47-F137 HydrophobicContact CG-CB 4.06Å; P47-F137 HydrophobicContact CG-CD1 3.61Å; P47-F137 HydrophobicContact CG-CD2 4.45Å; P47-F137 HydrophobicContact CG-CE1 4.1Å; P47-F137 HydrophobicContact CG-CG 3.8Å
48	M	95.8	Very high	95.7	Very high	44 Å²	44	54.4 Å²	54.4	22%	0.217	28%	0.282	C	S	.	.			trans	-104.5	171	175.1	-67.1	-174	-178.1	0	0	111.4	G50 D51 R153 R155 I218	M48-G50 PolarHBondContact O-N 2.9Å; M48-D51 PolarHBondContact N-OD2 3.22Å; M48-D51 WeakPolarHBondContact O-CB 3.34Å; M48-D51 PolarHBondContact O-N 2.97Å; M48-D51 VanDerWaalsContact O-N 3.12Å; M48-R153 HydrophobicContact CB-CB 4.27Å; M48-R153 HydrophobicContact SD-CB 3.79Å; M48-R155 HydrophobicContact CE-CG 4.36Å; M48-R155 HydrophobicContact SD-CG 3.96Å; M48-I218 HydrophobicContact CE-CD1 4.17Å; M48-I218 HydrophobicContact SD-CD1 4.2Å
49	I	94.4	Very high	95.6	Very high	58 Å²	58	49.1 Å²	49.1	30%	0.297	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-59.4	134.1	176.2	-61.4	168.9	0	0	0	108.7	D51 I154 R157	I49-D51 VanDerWaalsContact C-N 3.27Å; I49-D51 PolarHBondContact O-N 3.39Å; I49-I154 HydrophobicContact CB-CB 4.1Å; I49-I154 HydrophobicContact CB-CG2 4.37Å; I49-I154 HydrophobicContact CG2-CB 4.41Å; I49-I154 HydrophobicContact CG2-CG2 4.5Å; I49-I154 PolarHBondContact N-O 2.86Å; I49-I154 VanDerWaalsContact O-CB 3.27Å; I49-I154 WeakPolarHBondContact O-CB 3.42Å; I49-I154 PolarHBondContact O-N 3.46Å; I49-R157 HydrophobicContact CD1-CB 4.33Å
50	G	93.1	Very high	95.6	Very high	2 Å²	2	46.2 Å²	46.2	2%	0.021	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	-9.9	-179	0	0	0	0	0	115	M48 L81	M48-G50 PolarHBondContact O-N 2.9Å; G50-L81 PolarHBondContact N-O 2.78Å
51	D	96.8	Very high	95.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.225	C	C	.	.			trans	-64.6	138.3	175.2	-72.1	-3.3	0	0	0	110.3	M48 I49 V53 L81 F137 K138 G139	M48-D51 PolarHBondContact N-OD2 3.22Å; M48-D51 WeakPolarHBondContact O-CB 3.34Å; M48-D51 PolarHBondContact O-N 2.97Å; M48-D51 VanDerWaalsContact O-N 3.12Å; I49-D51 VanDerWaalsContact C-N 3.27Å; I49-D51 PolarHBondContact O-N 3.39Å; D51-V53 PolarHBondContact O-N 3.48Å; D51-L81 PolarHBondContact O-N 2.88Å; D51-F137 HydrophobicContact CB-CD2 4.48Å; D51-F137 WeakPolarHBondContact OD2-CD2 3.25Å; D51-K138 CarbonylContact C-O 3.47Å; D51-K138 VanDerWaalsContact CA-O 3.25Å; D51-K138 WeakPolarHBondContact CA-O 3.29Å; D51-K138 WeakPolarHBondContact CB-O 3.42Å; D51-G139 WeakPolarHBondContact OD1-CA 3.42Å
52	R	96.4	Very high	95.3	Very high	87 Å²	87	42.9 Å²	42.9	33%	0.328	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	113	169.6	-171.3	73.7	178.7	-172.5	2.4	108.6	F54 S78 D80 F137 K138	R52-F54 HydrophobicContact CB-CE2 4.39Å; R52-F54 HydrophobicContact CG-CE2 3.83Å; R52-F54 HydrophobicContact CG-CZ 3.8Å; R52-S78 PolarHBondContact NE-OG 2.83Å; R52-S78 PolarHBondContact NH2-O 2.91Å; R52-S78 PolarHBondContact NH2-OG 2.97Å; R52-D80 WeakPolarHBondContact CD-OD1 3.47Å; R52-D80 IonicContact CZ-OD1 2.69Å; R52-D80 IonicContact NE-OD1 3.3Å; R52-D80 IonicContact NH1-OD1 3.31Å; R52-D80 PolarHBondContact NH1-OD1 2.85Å; R52-F137 CarbonylContact O-C 3.48Å; R52-F137 WeakPolarHBondContact O-CA 3.42Å; R52-K138 PolarHBondContact N-O 2.9Å; R52-K138 PolarHBondContact O-N 2.83Å
53	V	97.4	Very high	95.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	148.6	179.5	-61.5	0	0	0	0	111.4	P47 D51 S78 F79 L81 I94 L134 F137	P47-V53 HydrophobicContact CB-CG1 3.81Å; P47-V53 HydrophobicContact CG-CG1 4.04Å; D51-V53 PolarHBondContact O-N 3.48Å; V53-S78 WeakPolarHBondContact O-CA 3.44Å; V53-S78 WeakPolarHBondContact O-CB 3.28Å; V53-F79 HydrophobicContact CG2-CD1 3.69Å; V53-F79 HydrophobicContact CG2-CD2 4.01Å; V53-F79 HydrophobicContact CG2-CE1 3.33Å; V53-F79 HydrophobicContact CG2-CE2 3.68Å; V53-F79 HydrophobicContact CG2-CG 4.02Å; V53-F79 HydrophobicContact CG2-CZ 3.31Å; V53-F79 WeakPolarHBondContact CG2-O 3.19Å; V53-F79 PolarHBondContact N-O 3.03Å; V53-F79 PolarHBondContact O-N 3.39Å; V53-L81 HydrophobicContact CG1-CB 4.12Å; V53-L81 HydrophobicContact CG1-CD2 4.36Å; V53-I94 HydrophobicContact CB-CG2 4.44Å; V53-I94 HydrophobicContact CG1-CG2 4.24Å; V53-I94 HydrophobicContact CG2-CG2 4.33Å; V53-L134 HydrophobicContact CB-CD1 4.27Å; V53-F137 HydrophobicContact CG1-CB 3.88Å
54	F	97.4	Very high	95.1	Very high	44 Å²	44	40.3 Å²	40.3	19%	0.193	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	115.9	178.8	-60.9	-95.7	0	0	0	109.4	R52 F135 E136 K138	R52-F54 HydrophobicContact CB-CE2 4.39Å; R52-F54 HydrophobicContact CG-CE2 3.83Å; R52-F54 HydrophobicContact CG-CZ 3.8Å; F54-F135 WeakPolarHBondContact O-CB 3.49Å; F54-F135 PolarHBondContact O-N 2.84Å; F54-E136 HydrophobicContact CB-CB 4.27Å; F54-E136 HydrophobicContact CD2-CB 4.03Å; F54-E136 HydrophobicContact CD2-CG 4.32Å; F54-E136 HydrophobicContact CG-CB 4.46Å; F54-E136 PolarHBondContact N-O 3.25Å; F54-K138 HydrophobicContact CE2-CD 4.19Å; F54-K138 HydrophobicContact CE2-CG 4.3Å
55	V	97.9	Very high	95.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	152.6	-173.8	-57.3	0	0	0	0	112.4	F77 F79 W90 I94 V132 E133 L134	V55-F77 HydrophobicContact CG2-CB 4.29Å; V55-F77 HydrophobicContact CG2-CD1 4.19Å; V55-F77 PolarHBondContact N-O 2.93Å; V55-F77 PolarHBondContact O-N 2.91Å; V55-F79 HydrophobicContact CG2-CE1 4.26Å; V55-W90 HydrophobicContact CG2-CH2 4.18Å; V55-W90 HydrophobicContact CG2-CZ3 3.87Å; V55-I94 HydrophobicContact CG1-CD1 4.39Å; V55-V132 HydrophobicContact CB-CG1 4Å; V55-V132 HydrophobicContact CG1-CG1 4.06Å; V55-V132 HydrophobicContact CG2-CG1 4.48Å; V55-E133 CarbonylContact C-O 3.51Å; V55-E133 WeakPolarHBondContact CA-O 3.41Å; V55-E133 WeakPolarHBondContact CB-O 3.27Å; V55-L134 HydrophobicContact CG1-CD1 3.91Å
56	H	97.6	Very high	95.4	Very high	29 Å²	29	37.7 Å²	37.7	13%	0.134	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	150.1	149.7	-82.3	-57.6	0	0	0	109.7	S70 L71 D75 V132 E133 F135	H56-S70 WeakPolarHBondContact CA-OG 3.29Å; H56-S70 PolarHBondContact ND1-OG 2.51Å; H56-L71 HydrophobicContact CB-CD2 4.16Å; H56-D75 VanDerWaalsContact CE1-C 3.48Å; H56-D75 PolarHBondContact CE1-O 3.18Å; H56-D75 VanDerWaalsContact CE1-O 3.24Å; H56-V132 CarbonylContact O-C 3.57Å; H56-V132 WeakPolarHBondContact O-CA 3.33Å; H56-E133 PolarHBondContact N-O 3.14Å; H56-E133 PolarHBondContact O-N 2.83Å; H56-F135 HydrophobicContact CB-CE2 3.83Å; H56-F135 AromaticContact CD2-CE2 3.38Å; H56-F135 WeakPolarHBondContact CD2-CE2 3.46Å; H56-F135 AromaticContact CD2-CZ 3.65Å; H56-F135 AromaticContact CG-CE2 3.88Å
57	Y	96.9	Very high	95.3	Very high	21 Å²	21	34.7 Å²	34.7	8%	0.082	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	160.1	174.2	73.9	-80.8	0	0	0	112.7	D68 S69 S70 R73 F77 W90 F130 E131	Y57-D68 HydrophobicContact CE2-CB 4.31Å; Y57-D68 WeakPolarHBondContact CE2-OD2 3.21Å; Y57-D68 PolarHBondContact OH-OD2 2.83Å; Y57-S69 WeakPolarHBondContact O-CA 3.39Å; Y57-S69 PolarHBondContact O-OG 2.92Å; Y57-S70 PolarHBondContact N-OG 3.47Å; Y57-S70 PolarHBondContact O-N 2.84Å; Y57-S70 PolarHBondContact O-OG 2.9Å; Y57-R73 PolarHBondContact OH-NH2 2.66Å; Y57-F77 HydrophobicContact CD1-CB 4.2Å; Y57-F77 HydrophobicContact CE1-CB 3.82Å; Y57-F77 HydrophobicContact CE1-CD1 4.06Å; Y57-F77 HydrophobicContact CE1-CG 4.05Å; Y57-W90 AromaticContact CD1-CH2 3.51Å; Y57-W90 HydrophobicContact CD1-CH2 3.51Å; Y57-W90 HydrophobicContact CD1-CZ2 4.24Å; Y57-W90 HydrophobicContact CD1-CZ3 4.48Å; Y57-W90 AromaticContact CD2-CH2 3.94Å; Y57-W90 HydrophobicContact CD2-CH2 3.94Å; Y57-W90 AromaticContact CD2-CZ2 3.82Å; Y57-W90 HydrophobicContact CD2-CZ2 3.82Å; Y57-W90 HydrophobicContact CE1-CH2 4.07Å; Y57-W90 HydrophobicContact CE2-CH2 4.48Å; Y57-W90 HydrophobicContact CE2-CZ2 4.47Å; Y57-W90 AromaticContact CG-CH2 3.41Å; Y57-W90 HydrophobicContact CG-CH2 3.41Å; Y57-W90 VanDerWaalsContact CG-CH2 3.41Å; Y57-W90 AromaticContact CG-CZ2 3.68Å; Y57-W90 HydrophobicContact CG-CZ2 3.68Å; Y57-F130 HydrophobicContact CD2-CD1 4.08Å; Y57-F130 HydrophobicContact CD2-CE1 4.19Å; Y57-F130 HydrophobicContact CE2-CE1 4.44Å; Y57-E131 CarbonylContact C-O 3.56Å; Y57-E131 WeakPolarHBondContact CA-O 3.33Å; Y57-E131 WeakPolarHBondContact CB-O 3.14Å
58	T	97.3	Very high	95.1	Very high	11 Å²	11	36.3 Å²	36.3	7%	0.067	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	141.5	160.2	-57.6	0	0	0	0	109.2	W60 K66 S69 F130 E131	T58-W60 HydrophobicContact CG2-CD2 4.03Å; T58-W60 HydrophobicContact CG2-CE3 4.13Å; T58-W60 HydrophobicContact CG2-CH2 3.35Å; T58-W60 HydrophobicContact CG2-CZ2 3.17Å; T58-W60 HydrophobicContact CG2-CZ3 3.82Å; T58-W60 WeakPolarHBondContact O-CZ3 3.25Å; T58-K66 HydrophobicContact CG2-CD 3.58Å; T58-K66 HydrophobicContact CG2-CG 3.84Å; T58-S69 PolarHBondContact OG1-OG 2.94Å; T58-F130 WeakPolarHBondContact O-CA 3.37Å; T58-E131 PolarHBondContact N-O 3.2Å; T58-E131 PolarHBondContact O-N 3.23Å
59	G	96.4	Very high	95.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	137.6	-177.9	0	0	0	0	0	112.8	K66 F67 D68 V129	G59-K66 WeakPolarHBondContact O-CA 3.31Å; G59-F67 PolarHBondContact O-N 3.01Å; G59-D68 PolarHBondContact N-O 3.29Å; G59-V129 CarbonylContact C-O 3.54Å; G59-V129 WeakPolarHBondContact CA-O 3.33Å
60	W	96.6	Very high	95	Very high	62 Å²	62	31.6 Å²	31.6	24%	0.235	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.2	-179.2	-58.8	-97.7	0	0	0	112.3	L18 T58 T65 F67 V129 E131	L18-W60 HydrophobicContact CD1-CB 3.92Å; L18-W60 HydrophobicContact CD1-CG 4.49Å; T58-W60 HydrophobicContact CG2-CD2 4.03Å; T58-W60 HydrophobicContact CG2-CE3 4.13Å; T58-W60 HydrophobicContact CG2-CH2 3.35Å; T58-W60 HydrophobicContact CG2-CZ2 3.17Å; T58-W60 HydrophobicContact CG2-CZ3 3.82Å; T58-W60 WeakPolarHBondContact O-CZ3 3.25Å; W60-T65 CarbonylContact C-O 3.52Å; W60-T65 VanDerWaalsContact CA-O 3.29Å; W60-T65 WeakPolarHBondContact CA-O 3.47Å; W60-F67 WeakPolarHBondContact O-CE1 3.4Å; W60-V129 PolarHBondContact N-O 2.75Å; W60-V129 PolarHBondContact O-N 3.25Å; W60-E131 HydrophobicContact CH2-CB 3.98Å; W60-E131 HydrophobicContact CZ3-CB 3.7Å
61	L	95.2	Very high	94.8	Very high	22 Å²	22	35.8 Å²	35.8	12%	0.115	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	161.4	162	-60.4	-179.5	0	0	0	109.6	D63 G64 T65 F67 P123 A126 L128	L61-D63 WeakPolarHBondContact CB-OD1 3.3Å; L61-D63 PolarHBondContact O-N 2.81Å; L61-D63 VanDerWaalsContact O-N 3.16Å; L61-G64 PolarHBondContact O-N 3.44Å; L61-T65 PolarHBondContact N-O 2.95Å; L61-F67 HydrophobicContact CD2-CD1 4.07Å; L61-F67 HydrophobicContact CD2-CE1 4.47Å; L61-F67 HydrophobicContact CG-CD1 4.16Å; L61-P123 HydrophobicContact CD1-CG 4.42Å; L61-A126 HydrophobicContact CD2-CB 4.27Å; L61-L128 HydrophobicContact CD2-CD2 3.67Å
62	L	91.9	Very high	94.2	Very high	49 Å²	49	40.7 Å²	40.7	26%	0.257	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-28.7	177.8	-78.5	-179	0	0	0	113.4	P17 L18 I20 G64 T127 V129	P17-L62 CarbonylContact C-O 3.59Å; P17-L62 WeakPolarHBondContact CA-O 3.09Å; L18-L62 PolarHBondContact N-O 2.91Å; I20-L62 HydrophobicContact CG1-CD2 4.32Å; L62-G64 PolarHBondContact O-N 2.88Å; L62-T127 HydrophobicContact CD1-CG2 3.88Å; L62-T127 HydrophobicContact CD2-CG2 4.09Å; L62-T127 HydrophobicContact CG-CG2 3.96Å; L62-V129 HydrophobicContact CD2-CG2 3.92Å
63	D	89.8	Confident	93.8	Very high	82 Å²	82	42.5 Å²	42.5	44%	0.439	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-0.4	175.8	68.5	8.5	0	0	0	113.6	S15 L61 T65	S15-D63 VanDerWaalsContact CB-O 3.3Å; S15-D63 WeakPolarHBondContact CB-O 3.3Å; S15-D63 PolarHBondContact OG-O 2.79Å; L61-D63 WeakPolarHBondContact CB-OD1 3.3Å; L61-D63 PolarHBondContact O-N 2.81Å; L61-D63 VanDerWaalsContact O-N 3.16Å; D63-T65 VanDerWaalsContact CG-OG1 3.32Å; D63-T65 WeakPolarHBondContact OD1-CB 3.32Å; D63-T65 PolarHBondContact OD1-N 3.08Å; D63-T65 PolarHBondContact OD1-OG1 2.89Å; D63-T65 PolarHBondContact OD2-OG1 2.81Å
64	G	91.7	Very high	93.4	Very high	21 Å²	21	51.6 Å²	51.6	22%	0.216	25%	0.25	C	S	.	.	S	Bend	trans	89.7	-1.2	-178.7	0	0	0	0	0	114.5	L61 L62 K66	L61-G64 PolarHBondContact O-N 3.44Å; L62-G64 PolarHBondContact O-N 2.88Å; G64-K66 PolarHBondContact O-N 3.38Å
65	T	93.9	Very high	93	Very high	71 Å²	71	55 Å²	55	44%	0.436	27%	0.27	S	S	.	.			trans	-68.4	114.8	177.9	-56	0	0	0	0	110.5	W60 L61 D63 F67	W60-T65 CarbonylContact C-O 3.52Å; W60-T65 VanDerWaalsContact CA-O 3.29Å; W60-T65 WeakPolarHBondContact CA-O 3.47Å; L61-T65 PolarHBondContact N-O 2.95Å; D63-T65 VanDerWaalsContact CG-OG1 3.32Å; D63-T65 WeakPolarHBondContact OD1-CB 3.32Å; D63-T65 PolarHBondContact OD1-N 3.08Å; D63-T65 PolarHBondContact OD1-OG1 2.89Å; D63-T65 PolarHBondContact OD2-OG1 2.81Å; T65-F67 PolarHBondContact O-N 2.88Å
66	K	95.3	Very high	92.8	Very high	96 Å²	96	59 Å²	59	42%	0.417	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	122.3	172	-173.2	178.9	65.7	160.7	0	109.7	T58 G59 G64 D72	T58-K66 HydrophobicContact CG2-CD 3.58Å; T58-K66 HydrophobicContact CG2-CG 3.84Å; G59-K66 WeakPolarHBondContact O-CA 3.31Å; G64-K66 PolarHBondContact O-N 3.38Å; K66-D72 VanDerWaalsContact NZ-CG 3.26Å; K66-D72 IonicContact NZ-OD1 2.73Å; K66-D72 PolarHBondContact NZ-OD1 3.08Å; K66-D72 IonicContact NZ-OD2 3.42Å; K66-D72 PolarHBondContact NZ-OD2 3.29Å
67	F	93.9	Very high	92.8	Very high	23 Å²	23	60.9 Å²	60.9	10%	0.101	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-26.2	179.1	62	-103.1	0	0	0	113.6	G59 W60 L61 T65 I122 L128 F130	G59-F67 PolarHBondContact O-N 3.01Å; W60-F67 WeakPolarHBondContact O-CE1 3.4Å; L61-F67 HydrophobicContact CD2-CD1 4.07Å; L61-F67 HydrophobicContact CD2-CE1 4.47Å; L61-F67 HydrophobicContact CG-CD1 4.16Å; T65-F67 PolarHBondContact O-N 2.88Å; F67-I122 HydrophobicContact CD2-CD1 4.19Å; F67-I122 HydrophobicContact CD2-CG1 4.34Å; F67-I122 HydrophobicContact CE2-CD1 4.13Å; F67-I122 HydrophobicContact CG-CG1 4.45Å; F67-L128 HydrophobicContact CE1-CB 4.36Å; F67-L128 HydrophobicContact CE1-CD1 4.49Å; F67-L128 HydrophobicContact CE1-CD2 3.82Å; F67-L128 HydrophobicContact CE1-CG 4.45Å; F67-L128 HydrophobicContact CZ-CB 4.42Å; F67-L128 HydrophobicContact CZ-CD1 4.1Å; F67-L128 HydrophobicContact CZ-CD2 4.25Å; F67-F130 AromaticContact CE2-CE1 3.97Å; F67-F130 HydrophobicContact CE2-CE1 3.97Å; F67-F130 AromaticContact CE2-CZ 3.98Å; F67-F130 HydrophobicContact CE2-CZ 3.98Å; F67-F130 AromaticContact CZ-CE1 3.7Å; F67-F130 HydrophobicContact CZ-CE1 3.7Å; F67-F130 HydrophobicContact CZ-CE2 4.22Å; F67-F130 AromaticContact CZ-CZ 3.52Å; F67-F130 HydrophobicContact CZ-CZ 3.52Å
68	D	92.4	Very high	92.7	Very high	40 Å²	40	61.5 Å²	61.5	21%	0.214	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	150.7	178.9	-166	27.7	0	0	0	112.6	Y57 G59 R73	Y57-D68 HydrophobicContact CE2-CB 4.31Å; Y57-D68 WeakPolarHBondContact CE2-OD2 3.21Å; Y57-D68 PolarHBondContact OH-OD2 2.83Å; G59-D68 PolarHBondContact N-O 3.29Å; D68-R73 IonicContact OD1-CZ 3.73Å; D68-R73 IonicContact OD1-NH1 2.66Å; D68-R73 PolarHBondContact OD1-NH1 3.5Å; D68-R73 IonicContact OD2-NH1 3.98Å
69	S	94.8	Very high	92.7	Very high	3 Å²	3	61 Å²	61	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	136.8	173	-174.4	0	0	0	0	111.2	Y57 T58 L71 D72 R73	Y57-S69 WeakPolarHBondContact O-CA 3.39Å; Y57-S69 PolarHBondContact O-OG 2.92Å; T58-S69 PolarHBondContact OG1-OG 2.94Å; S69-L71 VanDerWaalsContact C-N 3.33Å; S69-L71 PolarHBondContact OG-N 2.8Å; S69-L71 VanDerWaalsContact OG-N 3.17Å; S69-D72 WeakPolarHBondContact CB-OD2 3.37Å; S69-R73 PolarHBondContact O-NH1 3.5Å
70	S	93	Very high	92.7	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.307	C	S	.	.	S	Bend	trans	-71.3	-27.4	169.3	61.5	0	0	0	0	112.9	H56 Y57 D72 R73 K74	H56-S70 WeakPolarHBondContact CA-OG 3.29Å; H56-S70 PolarHBondContact ND1-OG 2.51Å; Y57-S70 PolarHBondContact N-OG 3.47Å; Y57-S70 PolarHBondContact O-N 2.84Å; Y57-S70 PolarHBondContact O-OG 2.9Å; S70-D72 VanDerWaalsContact C-N 3.31Å; S70-D72 PolarHBondContact O-N 2.9Å; S70-R73 CarbonylContact O-C 3.6Å; S70-R73 WeakPolarHBondContact O-CA 3.33Å; S70-R73 WeakPolarHBondContact O-CB 3.44Å; S70-R73 PolarHBondContact O-N 2.89Å; S70-K74 PolarHBondContact O-N 2.8Å
71	L	87.4	Confident	92.7	Very high	91 Å²	91	59.6 Å²	59.6	48%	0.476	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-68.9	-32.9	-179	-65.3	172.4	0	0	0	111.7	H56 S69 R73 K74	H56-L71 HydrophobicContact CB-CD2 4.16Å; S69-L71 VanDerWaalsContact C-N 3.33Å; S69-L71 PolarHBondContact OG-N 2.8Å; S69-L71 VanDerWaalsContact OG-N 3.17Å; L71-R73 PolarHBondContact O-N 2.82Å; L71-K74 PolarHBondContact O-N 2.94Å
72	D	84.6	Confident	92.6	Very high	103 Å²	103	59.5 Å²	59.5	55%	0.551	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-61.3	-26.9	173.3	-64.4	-24.6	0	0	0	111.5	K66 S69 S70	K66-D72 VanDerWaalsContact NZ-CG 3.26Å; K66-D72 IonicContact NZ-OD1 2.73Å; K66-D72 PolarHBondContact NZ-OD1 3.08Å; K66-D72 IonicContact NZ-OD2 3.42Å; K66-D72 PolarHBondContact NZ-OD2 3.29Å; S69-D72 WeakPolarHBondContact CB-OD2 3.37Å; S70-D72 VanDerWaalsContact C-N 3.31Å; S70-D72 PolarHBondContact O-N 2.9Å
73	R	89.1	Confident	92.5	Very high	125 Å²	125	61.3 Å²	61.3	47%	0.472	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-91.9	-10.1	177.4	-60.2	-173.1	-71.4	-99.1	6.1	113.6	Y57 D68 S69 S70 L71 D75	Y57-R73 PolarHBondContact OH-NH2 2.66Å; D68-R73 IonicContact OD1-CZ 3.73Å; D68-R73 IonicContact OD1-NH1 2.66Å; D68-R73 PolarHBondContact OD1-NH1 3.5Å; D68-R73 IonicContact OD2-NH1 3.98Å; S69-R73 PolarHBondContact O-NH1 3.5Å; S70-R73 CarbonylContact O-C 3.6Å; S70-R73 WeakPolarHBondContact O-CA 3.33Å; S70-R73 WeakPolarHBondContact O-CB 3.44Å; S70-R73 PolarHBondContact O-N 2.89Å; L71-R73 PolarHBondContact O-N 2.82Å; R73-D75 PolarHBondContact O-N 2.82Å; R73-D75 VanDerWaalsContact O-N 3.17Å
74	K	88.5	Confident	92.7	Very high	191 Å²	191	60 Å²	60	83%	0.83	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	25.9	-176.2	-56.3	-177.7	-179.7	179.5	0	114.5	S70 L71	S70-K74 PolarHBondContact O-N 2.8Å; L71-K74 PolarHBondContact O-N 2.94Å
75	D	89.4	Confident	92.8	Very high	114 Å²	114	64.1 Å²	64.1	61%	0.61	33%	0.326	S	S	*	.	S	Bend	trans	-135.7	146.2	178.4	-165.2	13.6	0	0	0	110.3	H56 R73	H56-D75 VanDerWaalsContact CE1-C 3.48Å; H56-D75 PolarHBondContact CE1-O 3.18Å; H56-D75 VanDerWaalsContact CE1-O 3.24Å; R73-D75 PolarHBondContact O-N 2.82Å; R73-D75 VanDerWaalsContact O-N 3.17Å
76	K	93.5	Very high	92.9	Very high	86 Å²	86	62 Å²	62	37%	0.374	31%	0.314	S	S	.	.			trans	-72.9	142.5	179.6	-69.2	178.2	-177.2	176.4	0	109.1	F135	K76-F135 HydrophobicContact CD-CB 4.43Å; K76-F135 HydrophobicContact CD-CD2 4.29Å; K76-F135 HydrophobicContact CD-CG 4.24Å
77	F	96.3	Very high	93	Very high	67 Å²	67	58.3 Å²	58.3	29%	0.294	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	134.6	170.1	-179	-121.4	0	0	0	109.2	V55 Y57 F79 V86 W90	V55-F77 HydrophobicContact CG2-CB 4.29Å; V55-F77 HydrophobicContact CG2-CD1 4.19Å; V55-F77 PolarHBondContact N-O 2.93Å; V55-F77 PolarHBondContact O-N 2.91Å; Y57-F77 HydrophobicContact CD1-CB 4.2Å; Y57-F77 HydrophobicContact CE1-CB 3.82Å; Y57-F77 HydrophobicContact CE1-CD1 4.06Å; Y57-F77 HydrophobicContact CE1-CG 4.05Å; F77-F79 AromaticContact CD1-CD1 3.78Å; F77-F79 HydrophobicContact CD1-CD1 3.78Å; F77-F79 HydrophobicContact CD1-CE1 4.29Å; F77-F79 HydrophobicContact CE1-CB 4.22Å; F77-F79 AromaticContact CE1-CD1 3.43Å; F77-F79 HydrophobicContact CE1-CD1 3.43Å; F77-F79 VanDerWaalsContact CE1-CD1 3.43Å; F77-F79 HydrophobicContact CE1-CE1 4.11Å; F77-F79 HydrophobicContact CE1-CG 4.09Å; F77-F79 HydrophobicContact CZ-CB 4.14Å; F77-F79 HydrophobicContact CZ-CD1 4.19Å; F77-F79 HydrophobicContact CZ-CG 4.48Å; F77-V86 HydrophobicContact CE1-CG1 3.87Å; F77-V86 HydrophobicContact CZ-CG1 4.24Å; F77-W90 HydrophobicContact CD1-CH2 4.42Å; F77-W90 AromaticContact CD1-CZ3 3.91Å; F77-W90 HydrophobicContact CD1-CZ3 3.91Å; F77-W90 HydrophobicContact CE1-CZ3 4.07Å
78	S	96.1	Very high	93.2	Very high	35 Å²	35	63.5 Å²	63.5	25%	0.245	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	141.4	177.3	70.8	0	0	0	0	111.2	R52 V53	R52-S78 PolarHBondContact NE-OG 2.83Å; R52-S78 PolarHBondContact NH2-O 2.91Å; R52-S78 PolarHBondContact NH2-OG 2.97Å; V53-S78 WeakPolarHBondContact O-CA 3.44Å; V53-S78 WeakPolarHBondContact O-CB 3.28Å
79	F	96.3	Very high	93.4	Very high	1 Å²	1	61.6 Å²	61.6	0%	0.004	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	165	-177.8	68	-86.2	0	0	0	110.1	V53 V55 F77 L81 E85 V86 W90 I94	V53-F79 HydrophobicContact CG2-CD1 3.69Å; V53-F79 HydrophobicContact CG2-CD2 4.01Å; V53-F79 HydrophobicContact CG2-CE1 3.33Å; V53-F79 HydrophobicContact CG2-CE2 3.68Å; V53-F79 HydrophobicContact CG2-CG 4.02Å; V53-F79 HydrophobicContact CG2-CZ 3.31Å; V53-F79 WeakPolarHBondContact CG2-O 3.19Å; V53-F79 PolarHBondContact N-O 3.03Å; V53-F79 PolarHBondContact O-N 3.39Å; V55-F79 HydrophobicContact CG2-CE1 4.26Å; F77-F79 AromaticContact CD1-CD1 3.78Å; F77-F79 HydrophobicContact CD1-CD1 3.78Å; F77-F79 HydrophobicContact CD1-CE1 4.29Å; F77-F79 HydrophobicContact CE1-CB 4.22Å; F77-F79 AromaticContact CE1-CD1 3.43Å; F77-F79 HydrophobicContact CE1-CD1 3.43Å; F77-F79 VanDerWaalsContact CE1-CD1 3.43Å; F77-F79 HydrophobicContact CE1-CE1 4.11Å; F77-F79 HydrophobicContact CE1-CG 4.09Å; F77-F79 HydrophobicContact CZ-CB 4.14Å; F77-F79 HydrophobicContact CZ-CD1 4.19Å; F77-F79 HydrophobicContact CZ-CG 4.48Å; F79-L81 HydrophobicContact CE2-CD1 4.02Å; F79-L81 HydrophobicContact CZ-CD1 4.44Å; F79-E85 WeakPolarHBondContact CA-OE2 3.27Å; F79-E85 HydrophobicContact CB-CB 4.37Å; F79-E85 WeakPolarHBondContact CB-OE2 3.48Å; F79-V86 HydrophobicContact CB-CG1 4.31Å; F79-V86 HydrophobicContact CD1-CG1 3.97Å; F79-V86 HydrophobicContact CD2-CB 4.46Å; F79-V86 HydrophobicContact CD2-CG1 3.68Å; F79-V86 HydrophobicContact CD2-CG2 3.91Å; F79-V86 HydrophobicContact CE1-CG1 4.17Å; F79-V86 HydrophobicContact CE2-CB 4.35Å; F79-V86 HydrophobicContact CE2-CG1 3.9Å; F79-V86 HydrophobicContact CE2-CG2 3.49Å; F79-V86 VanDerWaalsContact CE2-CG2 3.49Å; F79-V86 HydrophobicContact CG-CG1 3.72Å; F79-V86 HydrophobicContact CZ-CG1 4.13Å; F79-V86 HydrophobicContact CZ-CG2 4.02Å; F79-W90 AromaticContact CE1-CE3 3.8Å; F79-W90 HydrophobicContact CE1-CE3 3.8Å; F79-W90 AromaticContact CE1-CZ3 3.82Å; F79-W90 HydrophobicContact CE1-CZ3 3.82Å; F79-W90 AromaticContact CZ-CE3 3.94Å; F79-W90 HydrophobicContact CZ-CE3 3.94Å; F79-W90 HydrophobicContact CZ-CZ3 4.42Å; F79-I94 HydrophobicContact CE1-CD1 3.94Å; F79-I94 HydrophobicContact CZ-CD1 3.53Å
80	D	95.9	Very high	93.6	Very high	28 Å²	28	61.9 Å²	61.9	15%	0.15	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	117.4	177	-70.5	7.7	0	0	0	110.5	R52 K83 E85	R52-D80 WeakPolarHBondContact CD-OD1 3.47Å; R52-D80 IonicContact CZ-OD1 2.69Å; R52-D80 IonicContact NE-OD1 3.3Å; R52-D80 IonicContact NH1-OD1 3.31Å; R52-D80 PolarHBondContact NH1-OD1 2.85Å; D80-K83 HydrophobicContact CB-CB 4.28Å; D80-K83 HydrophobicContact CB-CD 3.66Å; D80-K83 HydrophobicContact CB-CG 4.04Å; D80-K83 IonicContact OD2-NZ 3.63Å; D80-K83 PolarHBondContact OD2-NZ 3.32Å; D80-E85 PolarHBondContact N-OE2 2.97Å
81	L	96.9	Very high	93.8	Very high	3 Å²	3	63.3 Å²	63.3	2%	0.016	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	134.7	-173.7	-175	66.5	0	0	0	112.4	P47 G50 D51 V53 F79 K83 I94 A95	P47-L81 HydrophobicContact CB-CD2 3.45Å; P47-L81 VanDerWaalsContact CB-CD2 3.45Å; G50-L81 PolarHBondContact N-O 2.78Å; D51-L81 PolarHBondContact O-N 2.88Å; V53-L81 HydrophobicContact CG1-CB 4.12Å; V53-L81 HydrophobicContact CG1-CD2 4.36Å; F79-L81 HydrophobicContact CE2-CD1 4.02Å; F79-L81 HydrophobicContact CZ-CD1 4.44Å; L81-K83 PolarHBondContact O-N 3.44Å; L81-I94 HydrophobicContact CD1-CB 4.17Å; L81-I94 HydrophobicContact CD1-CG2 4.23Å; L81-A95 HydrophobicContact CD2-CB 3.99Å
82	G	92.9	Very high	94.2	Very high	20 Å²	20	60.6 Å²	60.6	21%	0.206	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	75	8.1	175.3	0	0	0	0	0	114.6	D91	G82-D91 WeakPolarHBondContact CA-OD1 3.2Å; G82-D91 PolarHBondContact N-OD1 2.76Å
83	K	91.6	Very high	94.8	Very high	88 Å²	88	55.7 Å²	55.7	38%	0.383	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	0.1	172.8	-65.7	-166.1	-174.1	164.9	0	113.2	D80 L81 E85 E140	D80-K83 HydrophobicContact CB-CB 4.28Å; D80-K83 HydrophobicContact CB-CD 3.66Å; D80-K83 HydrophobicContact CB-CG 4.04Å; D80-K83 IonicContact OD2-NZ 3.63Å; D80-K83 PolarHBondContact OD2-NZ 3.32Å; L81-K83 PolarHBondContact O-N 3.44Å; K83-E85 HydrophobicContact CB-CG 4.39Å; K83-E140 IonicContact NZ-OE1 3.55Å; K83-E140 PolarHBondContact NZ-OE1 2.77Å
84	G	92.4	Very high	95.3	Very high	54 Å²	54	49.7 Å²	49.7	56%	0.557	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	22.2	179.2	0	0	0	0	0	114.1	D91	G84-D91 PolarHBondContact N-OD2 3.25Å
85	E	94.4	Very high	95.6	Very high	107 Å²	107	42.4 Å²	42.4	50%	0.5	23%	0.231	S	C	.	.	S	Bend	trans	-73	-18.4	173.4	-61.2	-167.2	156.3	0	0	112.4	F79 D80 K83	F79-E85 WeakPolarHBondContact CA-OE2 3.27Å; F79-E85 HydrophobicContact CB-CB 4.37Å; F79-E85 WeakPolarHBondContact CB-OE2 3.48Å; D80-E85 PolarHBondContact N-OE2 2.97Å; K83-E85 HydrophobicContact CB-CG 4.39Å
86	V	96.6	Very high	96	Very high	27 Å²	27	39.3 Å²	39.3	16%	0.164	22%	0.216	C	C	.	.	S	Bend	trans	-126.2	173	179.9	-64.5	0	0	0	0	110.8	F77 F79 W90 D91	F77-V86 HydrophobicContact CE1-CG1 3.87Å; F77-V86 HydrophobicContact CZ-CG1 4.24Å; F79-V86 HydrophobicContact CB-CG1 4.31Å; F79-V86 HydrophobicContact CD1-CG1 3.97Å; F79-V86 HydrophobicContact CD2-CB 4.46Å; F79-V86 HydrophobicContact CD2-CG1 3.68Å; F79-V86 HydrophobicContact CD2-CG2 3.91Å; F79-V86 HydrophobicContact CE1-CG1 4.17Å; F79-V86 HydrophobicContact CE2-CB 4.35Å; F79-V86 HydrophobicContact CE2-CG1 3.9Å; F79-V86 HydrophobicContact CE2-CG2 3.49Å; F79-V86 VanDerWaalsContact CE2-CG2 3.49Å; F79-V86 HydrophobicContact CG-CG1 3.72Å; F79-V86 HydrophobicContact CZ-CG1 4.13Å; F79-V86 HydrophobicContact CZ-CG2 4.02Å; V86-W90 HydrophobicContact CB-CB 4.02Å; V86-W90 HydrophobicContact CB-CE3 4.34Å; V86-W90 HydrophobicContact CG1-CE3 4.13Å; V86-W90 HydrophobicContact CG2-CB 3.61Å; V86-D91 WeakPolarHBondContact CG2-OD1 3.34Å
87	I	97.3	Very high	96.2	Very high	19 Å²	19	35.2 Å²	35.2	10%	0.097	20%	0.198	C	C	.	.			trans	-61.6	150.1	175.6	60.5	171.9	0	0	0	111.4	A89 W90 D91 A112 Y113 F130	I87-A89 HydrophobicContact CD1-CB 4.27Å; I87-A89 HydrophobicContact CG1-CB 4.47Å; I87-A89 PolarHBondContact O-N 2.95Å; I87-A89 VanDerWaalsContact O-N 3.1Å; I87-W90 HydrophobicContact CD1-CG 4.47Å; I87-W90 HydrophobicContact CG1-CB 4.05Å; I87-W90 HydrophobicContact CG1-CG 3.9Å; I87-W90 WeakPolarHBondContact O-CB 3.38Å; I87-W90 PolarHBondContact O-N 2.99Å; I87-D91 PolarHBondContact O-N 3.32Å; I87-A112 HydrophobicContact CD1-CB 4.19Å; I87-Y113 HydrophobicContact CG2-CD2 4.25Å; I87-Y113 HydrophobicContact CG2-CE1 4.14Å; I87-Y113 HydrophobicContact CG2-CE2 3.76Å; I87-F130 HydrophobicContact CD1-CE2 3.7Å; I87-F130 HydrophobicContact CD1-CZ 4.13Å
88	K	97.4	Very high	96.3	Very high	131 Å²	131	35.4 Å²	35.4	57%	0.57	20%	0.199	S	C	*	.	H	α-helix	trans	-53.8	-38.2	-176.9	-59.5	175.5	-171.8	163	0	112.8	W90 D91 I92 E110 Y111	K88-W90 VanDerWaalsContact C-N 3.25Å; K88-W90 PolarHBondContact O-N 3.35Å; K88-D91 PolarHBondContact O-N 3.37Å; K88-I92 WeakPolarHBondContact O-CD1 3.38Å; K88-I92 VanDerWaalsContact O-CG1 3.29Å; K88-I92 WeakPolarHBondContact O-CG1 3.36Å; K88-I92 PolarHBondContact O-N 2.74Å; K88-I92 VanDerWaalsContact O-N 3.09Å; K88-E110 PolarHBondContact NZ-O 3Å; K88-Y111 HydrophobicContact CB-CD1 4.21Å; K88-Y111 PolarHBondContact N-O 3.31Å
89	A	97.6	Very high	96.3	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.4	-35.5	178.3	0	0	0	0	0	112.8	V33 I87 A93 C107 Y111	V33-A89 HydrophobicContact CG1-CB 4.16Å; V33-A89 HydrophobicContact CG2-CB 3.83Å; I87-A89 HydrophobicContact CD1-CB 4.27Å; I87-A89 HydrophobicContact CG1-CB 4.47Å; I87-A89 PolarHBondContact O-N 2.95Å; I87-A89 VanDerWaalsContact O-N 3.1Å; A89-A93 WeakPolarHBondContact O-CB 3.45Å; A89-A93 PolarHBondContact O-N 3.07Å; A89-C107 HydrophobicContact CB-CB 3.69Å; A89-C107 WeakPolarHBondContact CB-SG 3.24Å; A89-Y111 WeakPolarHBondContact CB-O 3.17Å; A89-Y111 PolarHBondContact N-O 2.91Å
90	W	97.9	Very high	96.4	Very high	9 Å²	9	37.1 Å²	37.1	3%	0.034	21%	0.212	C	C	.	.	H	α-helix	trans	-71.8	-45.1	177.1	-87.8	44.3	0	0	0	112	V55 Y57 F77 F79 V86 I87 K88 I92 A93 I94 F130 V132	V55-W90 HydrophobicContact CG2-CH2 4.18Å; V55-W90 HydrophobicContact CG2-CZ3 3.87Å; Y57-W90 AromaticContact CD1-CH2 3.51Å; Y57-W90 HydrophobicContact CD1-CH2 3.51Å; Y57-W90 HydrophobicContact CD1-CZ2 4.24Å; Y57-W90 HydrophobicContact CD1-CZ3 4.48Å; Y57-W90 AromaticContact CD2-CH2 3.94Å; Y57-W90 HydrophobicContact CD2-CH2 3.94Å; Y57-W90 AromaticContact CD2-CZ2 3.82Å; Y57-W90 HydrophobicContact CD2-CZ2 3.82Å; Y57-W90 HydrophobicContact CE1-CH2 4.07Å; Y57-W90 HydrophobicContact CE2-CH2 4.48Å; Y57-W90 HydrophobicContact CE2-CZ2 4.47Å; Y57-W90 AromaticContact CG-CH2 3.41Å; Y57-W90 HydrophobicContact CG-CH2 3.41Å; Y57-W90 VanDerWaalsContact CG-CH2 3.41Å; Y57-W90 AromaticContact CG-CZ2 3.68Å; Y57-W90 HydrophobicContact CG-CZ2 3.68Å; F77-W90 HydrophobicContact CD1-CH2 4.42Å; F77-W90 AromaticContact CD1-CZ3 3.91Å; F77-W90 HydrophobicContact CD1-CZ3 3.91Å; F77-W90 HydrophobicContact CE1-CZ3 4.07Å; F79-W90 AromaticContact CE1-CE3 3.8Å; F79-W90 HydrophobicContact CE1-CE3 3.8Å; F79-W90 AromaticContact CE1-CZ3 3.82Å; F79-W90 HydrophobicContact CE1-CZ3 3.82Å; F79-W90 AromaticContact CZ-CE3 3.94Å; F79-W90 HydrophobicContact CZ-CE3 3.94Å; F79-W90 HydrophobicContact CZ-CZ3 4.42Å; V86-W90 HydrophobicContact CB-CB 4.02Å; V86-W90 HydrophobicContact CB-CE3 4.34Å; V86-W90 HydrophobicContact CG1-CE3 4.13Å; V86-W90 HydrophobicContact CG2-CB 3.61Å; I87-W90 HydrophobicContact CD1-CG 4.47Å; I87-W90 HydrophobicContact CG1-CB 4.05Å; I87-W90 HydrophobicContact CG1-CG 3.9Å; I87-W90 WeakPolarHBondContact O-CB 3.38Å; I87-W90 PolarHBondContact O-N 2.99Å; K88-W90 VanDerWaalsContact C-N 3.25Å; K88-W90 PolarHBondContact O-N 3.35Å; W90-I92 PolarHBondContact O-N 3.14Å; W90-A93 PolarHBondContact O-N 2.89Å; W90-I94 HydrophobicContact CB-CD1 4.21Å; W90-I94 HydrophobicContact CD2-CD1 3.84Å; W90-I94 HydrophobicContact CE3-CD1 3.36Å; W90-I94 HydrophobicContact CG-CD1 4.25Å; W90-I94 HydrophobicContact CZ3-CD1 3.89Å; W90-I94 WeakPolarHBondContact O-CB 3.41Å; W90-I94 PolarHBondContact O-N 3.4Å; W90-F130 AromaticContact CE2-CD1 3.96Å; W90-F130 AromaticContact CZ2-CD1 3.69Å; W90-F130 HydrophobicContact CZ2-CD1 3.69Å; W90-F130 AromaticContact CZ2-CE1 3.93Å; W90-F130 HydrophobicContact CZ2-CE1 3.93Å; W90-F130 HydrophobicContact CZ2-CG 4.26Å; W90-F130 AromaticContact NE1-CD1 3.61Å; W90-F130 AromaticContact NE1-CD2 3.46Å; W90-F130 AromaticContact NE1-CE1 3.75Å; W90-F130 AromaticContact NE1-CE2 3.62Å; W90-F130 AromaticContact NE1-CG 3.44Å; W90-F130 AromaticContact NE1-CZ 3.74Å; W90-V132 HydrophobicContact CH2-CG2 4.35Å; W90-V132 HydrophobicContact CZ2-CG2 3.89Å
91	D	96.9	Very high	96.5	Very high	30 Å²	30	36 Å²	36	16%	0.16	21%	0.206	C	C	.	.	H	α-helix	trans	-56.6	-36.7	175.2	-85.9	-24.4	0	0	0	111.7	G82 G84 V86 I87 K88 A95	G82-D91 WeakPolarHBondContact CA-OD1 3.2Å; G82-D91 PolarHBondContact N-OD1 2.76Å; G84-D91 PolarHBondContact N-OD2 3.25Å; V86-D91 WeakPolarHBondContact CG2-OD1 3.34Å; I87-D91 PolarHBondContact O-N 3.32Å; K88-D91 PolarHBondContact O-N 3.37Å; D91-A95 WeakPolarHBondContact O-CB 3.34Å
92	I	97	Very high	96.6	Very high	34 Å²	34	36.5 Å²	36.5	17%	0.174	21%	0.21	C	C	.	.	H	α-helix	trans	-73.9	-51.8	176.2	-65.6	160.5	0	0	0	111.1	I25 P27 V33 K88 W90 Y111	I25-I92 HydrophobicContact CD1-CG2 4.12Å; I25-I92 HydrophobicContact CG1-CG2 4.15Å; I25-I92 VanDerWaalsContact O-CG2 3.22Å; I25-I92 WeakPolarHBondContact O-CG2 3.47Å; P27-I92 HydrophobicContact CG-CD1 4.26Å; P27-I92 HydrophobicContact CG-CG1 4.43Å; V33-I92 HydrophobicContact CG2-CD1 4.05Å; K88-I92 WeakPolarHBondContact O-CD1 3.38Å; K88-I92 VanDerWaalsContact O-CG1 3.29Å; K88-I92 WeakPolarHBondContact O-CG1 3.36Å; K88-I92 PolarHBondContact O-N 2.74Å; K88-I92 VanDerWaalsContact O-N 3.09Å; W90-I92 PolarHBondContact O-N 3.14Å; I92-Y111 HydrophobicContact CD1-CD1 3.72Å; I92-Y111 HydrophobicContact CD1-CE1 3.85Å
93	A	97.4	Very high	96.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-70.7	-43.9	-170.4	0	0	0	0	0	113.1	I25 V33 A89 W90 A95 T96 I105	I25-A93 HydrophobicContact CD1-CB 3.82Å; V33-A93 HydrophobicContact CG1-CB 4.43Å; A89-A93 WeakPolarHBondContact O-CB 3.45Å; A89-A93 PolarHBondContact O-N 3.07Å; W90-A93 PolarHBondContact O-N 2.89Å; A93-A95 VanDerWaalsContact C-N 3.29Å; A93-A95 PolarHBondContact O-N 3.12Å; A93-T96 PolarHBondContact O-N 2.65Å; A93-T96 PolarHBondContact O-OG1 3.03Å; A93-I105 HydrophobicContact CB-CD1 3.46Å; A93-I105 VanDerWaalsContact CB-CD1 3.46Å; A93-I105 HydrophobicContact CB-CG1 3.86Å; A93-I105 HydrophobicContact CB-CG2 3.89Å
94	I	97.8	Very high	97	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-69.7	-30	-175.5	-67.4	168	0	0	0	111.2	V53 V55 F79 L81 W90 T96 M97 V132	V53-I94 HydrophobicContact CB-CG2 4.44Å; V53-I94 HydrophobicContact CG1-CG2 4.24Å; V53-I94 HydrophobicContact CG2-CG2 4.33Å; V55-I94 HydrophobicContact CG1-CD1 4.39Å; F79-I94 HydrophobicContact CE1-CD1 3.94Å; F79-I94 HydrophobicContact CZ-CD1 3.53Å; L81-I94 HydrophobicContact CD1-CB 4.17Å; L81-I94 HydrophobicContact CD1-CG2 4.23Å; W90-I94 HydrophobicContact CB-CD1 4.21Å; W90-I94 HydrophobicContact CD2-CD1 3.84Å; W90-I94 HydrophobicContact CE3-CD1 3.36Å; W90-I94 HydrophobicContact CG-CD1 4.25Å; W90-I94 HydrophobicContact CZ3-CD1 3.89Å; W90-I94 WeakPolarHBondContact O-CB 3.41Å; W90-I94 PolarHBondContact O-N 3.4Å; I94-T96 PolarHBondContact O-N 3.34Å; I94-T96 VanDerWaalsContact O-N 3.12Å; I94-M97 HydrophobicContact CB-SD 4.49Å; I94-M97 HydrophobicContact CG1-SD 4.03Å; I94-M97 WeakPolarHBondContact O-CB 3.47Å; I94-M97 PolarHBondContact O-N 2.99Å; I94-V132 HydrophobicContact CD1-CG1 4.28Å; I94-V132 HydrophobicContact CG1-CG1 4.36Å
95	A	96.8	Very high	97.3	Very high	37 Å²	37	31.3 Å²	31.3	31%	0.306	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.9	171.5	0	0	0	0	0	113.8	L81 D91 A93	L81-A95 HydrophobicContact CD2-CB 3.99Å; D91-A95 WeakPolarHBondContact O-CB 3.34Å; A93-A95 VanDerWaalsContact C-N 3.29Å; A93-A95 PolarHBondContact O-N 3.12Å
96	T	96.6	Very high	97.4	Very high	50 Å²	50	26.8 Å²	26.8	31%	0.307	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	0.1	177.8	71.7	0	0	0	0	113.5	I25 K35 A93 I94	I25-T96 HydrophobicContact CD1-CG2 4.48Å; K35-T96 WeakPolarHBondContact CD-OG1 3.11Å; K35-T96 PolarHBondContact NZ-O 2.91Å; K35-T96 PolarHBondContact NZ-OG1 3.01Å; A93-T96 PolarHBondContact O-N 2.65Å; A93-T96 PolarHBondContact O-OG1 3.03Å; I94-T96 PolarHBondContact O-N 3.34Å; I94-T96 VanDerWaalsContact O-N 3.12Å
97	M	97.9	Very high	97.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-90.9	147.5	-174.9	-66	-177.7	73	0	0	111.9	P47 I94 E101 C103 V132 L134	P47-M97 WeakPolarHBondContact CD-O 3.35Å; I94-M97 HydrophobicContact CB-SD 4.49Å; I94-M97 HydrophobicContact CG1-SD 4.03Å; I94-M97 WeakPolarHBondContact O-CB 3.47Å; I94-M97 PolarHBondContact O-N 2.99Å; M97-E101 WeakPolarHBondContact CA-OE2 3.48Å; M97-E101 HydrophobicContact CE-CB 4.04Å; M97-E101 HydrophobicContact CE-CG 4.26Å; M97-E101 WeakPolarHBondContact CE-O 3.19Å; M97-C103 VanDerWaalsContact SD-SG 3.69Å; M97-V132 HydrophobicContact CE-CG1 4.36Å; M97-V132 WeakPolarHBondContact CE-O 2.8Å; M97-V132 HydrophobicContact SD-CB 4.48Å; M97-V132 HydrophobicContact SD-CG1 4.14Å; M97-L134 HydrophobicContact CB-CB 4.21Å; M97-L134 HydrophobicContact CB-CD2 3.7Å; M97-L134 HydrophobicContact CE-CB 3.79Å; M97-L134 HydrophobicContact SD-CB 4.29Å
98	K	97.7	Very high	97.4	Very high	70 Å²	70	28.1 Å²	28.1	30%	0.304	15%	0.149	S	C	.	.	P	Polyproline II helix	trans	-96.9	158.8	166.8	-68.8	176.9	-179.1	-179.2	0	111.7	G43 M46 G100 E101	G43-K98 WeakPolarHBondContact O-CD 3.13Å; M46-K98 HydrophobicContact CG-CG 4.36Å; K98-G100 PolarHBondContact O-N 2.72Å; K98-E101 PolarHBondContact N-OE2 3.37Å; K98-E101 WeakPolarHBondContact O-CB 3.28Å; K98-E101 PolarHBondContact O-N 2.78Å
99	V	97.6	Very high	97.4	Very high	49 Å²	49	22.4 Å²	22.4	30%	0.297	13%	0.126	S	C	.	.	B	Isolated β-bridge	trans	-58.9	128.1	175.2	170.6	0	0	0	0	110.6	G41 T42 E101 F135 F137	G41-V99 CarbonylContact C-O 3.56Å; G41-V99 VanDerWaalsContact CA-O 3.25Å; G41-V99 WeakPolarHBondContact CA-O 3.19Å; T42-V99 PolarHBondContact N-O 3.44Å; T42-V99 PolarHBondContact OG1-O 2.82Å; V99-E101 VanDerWaalsContact C-N 3.33Å; V99-F135 WeakPolarHBondContact CG1-O 2.98Å; V99-F137 HydrophobicContact CG2-CD1 3.82Å; V99-F137 HydrophobicContact CG2-CE1 3.68Å
100	G	97.2	Very high	97.4	Very high	23 Å²	23	28.2 Å²	28.2	24%	0.237	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	-6.8	-177	0	0	0	0	0	114.9	R39 K98 L134	R39-G100 PolarHBondContact NE-O 2.93Å; R39-G100 PolarHBondContact NH2-O 3.44Å; K98-G100 PolarHBondContact O-N 2.72Å; G100-L134 WeakPolarHBondContact CA-O 3.49Å; G100-L134 PolarHBondContact N-O 3.43Å
101	E	98.3	Very high	97.4	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.019	16%	0.155	C	C	.	.			trans	-66.2	138.7	179.1	-169.4	-176.1	127.8	0	0	111	K35 I37 R39 M97 K98 V99 E133 L134	K35-E101 WeakPolarHBondContact CE-OE1 3.43Å; K35-E101 IonicContact NZ-OE1 3.12Å; K35-E101 PolarHBondContact NZ-OE1 2.88Å; K35-E101 IonicContact NZ-OE2 2.65Å; I37-E101 HydrophobicContact CG2-CG 4.15Å; R39-E101 WeakPolarHBondContact O-CA 3.48Å; R39-E101 VanDerWaalsContact O-CG 3.3Å; R39-E101 WeakPolarHBondContact O-CG 3.2Å; M97-E101 WeakPolarHBondContact CA-OE2 3.48Å; M97-E101 HydrophobicContact CE-CB 4.04Å; M97-E101 HydrophobicContact CE-CG 4.26Å; M97-E101 WeakPolarHBondContact CE-O 3.19Å; K98-E101 PolarHBondContact N-OE2 3.37Å; K98-E101 WeakPolarHBondContact O-CB 3.28Å; K98-E101 PolarHBondContact O-N 2.78Å; V99-E101 VanDerWaalsContact C-N 3.33Å; E101-E133 WeakPolarHBondContact O-CA 3.38Å; E101-L134 PolarHBondContact O-N 3.01Å; E101-L134 VanDerWaalsContact O-N 3.08Å
102	V	98.2	Very high	97.4	Very high	14 Å²	14	28.3 Å²	28.3	9%	0.085	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.2	168.2	-175.6	0	0	0	0	108.1	K38 R39 E131 V132 E133	K38-V102 WeakPolarHBondContact CA-O 3.46Å; K38-V102 HydrophobicContact CB-CG1 4.33Å; K38-V102 PolarHBondContact N-O 3.05Å; R39-V102 HydrophobicContact CB-CB 3.97Å; R39-V102 HydrophobicContact CB-CG2 4.13Å; R39-V102 VanDerWaalsContact CZ-CG2 3.41Å; R39-V102 PolarHBondContact N-O 3.45Å; R39-V102 VanDerWaalsContact NH2-CG2 3.28Å; R39-V102 PolarHBondContact O-N 3.17Å; V102-E131 HydrophobicContact CG1-CG 3.85Å; V102-V132 VanDerWaalsContact CA-O 3.31Å; V102-V132 WeakPolarHBondContact CA-O 3.41Å; V102-E133 HydrophobicContact CG2-CB 3.99Å; V102-E133 HydrophobicContact CG2-CG 3.87Å
103	C	97.3	Very high	97.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	154	178.4	73.6	0	0	0	0	112.4	K35 V36 M97 E131 V132	K35-C103 HydrophobicContact CG-CB 4.14Å; V36-C103 CarbonylContact O-C 3.49Å; V36-C103 VanDerWaalsContact O-CA 3.28Å; V36-C103 WeakPolarHBondContact O-CA 3.36Å; V36-C103 WeakPolarHBondContact O-CB 3.15Å; M97-C103 VanDerWaalsContact SD-SG 3.69Å; C103-E131 WeakPolarHBondContact O-CA 3.09Å; C103-V132 PolarHBondContact N-O 2.93Å; C103-V132 PolarHBondContact O-N 3.4Å
104	H	97.4	Very high	97.3	Very high	54 Å²	54	32.4 Å²	32.4	25%	0.25	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	136.5	163.4	-75.2	-178.9	0	0	0	110	K35 V36 K38 F130 E131	K35-H104 WeakPolarHBondContact CA-O 3.45Å; V36-H104 HydrophobicContact CB-CB 4.41Å; V36-H104 PolarHBondContact N-O 3.25Å; V36-H104 PolarHBondContact O-N 3.26Å; K38-H104 VanDerWaalsContact CE-CE1 3.45Å; K38-H104 WeakPolarHBondContact CE-CE1 3.49Å; K38-H104 WeakPolarHBondContact CE-ND1 3.37Å; H104-F130 CarbonylContact C-O 3.53Å; H104-F130 WeakPolarHBondContact CA-O 3.22Å; H104-E131 IonicContact CD2-OE2 3.56Å; H104-E131 IonicContact NE2-OE2 3.44Å; H104-E131 PolarHBondContact NE2-OE2 3.03Å
105	I	97.3	Very high	97.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	119.6	179.1	-48.9	162	0	0	0	108	V33 L34 A93 V129 F130 V132	V33-I105 HydrophobicContact CG1-CG2 3.84Å; L34-I105 CarbonylContact O-C 3.59Å; L34-I105 WeakPolarHBondContact O-CA 3.36Å; A93-I105 HydrophobicContact CB-CD1 3.46Å; A93-I105 VanDerWaalsContact CB-CD1 3.46Å; A93-I105 HydrophobicContact CB-CG1 3.86Å; A93-I105 HydrophobicContact CB-CG2 3.89Å; I105-V129 CarbonylContact O-C 3.59Å; I105-V129 WeakPolarHBondContact O-CA 3.37Å; I105-F130 HydrophobicContact CB-CB 4.46Å; I105-F130 PolarHBondContact N-O 2.97Å; I105-F130 PolarHBondContact O-N 2.89Å; I105-V132 HydrophobicContact CD1-CB 4.25Å; I105-V132 HydrophobicContact CD1-CG2 3.72Å
106	T	97.6	Very high	97.3	Very high	11 Å²	11	38.8 Å²	38.8	7%	0.067	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123.1	171.2	-54.6	0	0	0	0	109	I20 V33 L34 T127 L128 V129	I20-T106 HydrophobicContact CG2-CG2 4.35Å; V33-T106 WeakPolarHBondContact CA-O 3.16Å; L34-T106 PolarHBondContact N-O 2.93Å; L34-T106 PolarHBondContact O-N 3.09Å; T106-T127 HydrophobicContact CG2-CG2 3.83Å; T106-L128 WeakPolarHBondContact CA-O 3.39Å; T106-V129 HydrophobicContact CG2-CG2 4.37Å
107	C	96.9	Very high	97.2	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	114.4	-170.8	-47.3	0	0	0	0	110.2	A89 A112 T127 L128	A89-C107 HydrophobicContact CB-CB 3.69Å; A89-C107 WeakPolarHBondContact CB-SG 3.24Å; C107-A112 HydrophobicContact CB-CB 4.38Å; C107-T127 WeakPolarHBondContact O-CA 3.45Å; C107-T127 WeakPolarHBondContact O-CG2 3.47Å; C107-L128 HydrophobicContact CB-CB 4.39Å; C107-L128 PolarHBondContact N-O 2.83Å; C107-L128 PolarHBondContact O-N 3.11Å
108	K	97.1	Very high	97.1	Very high	74 Å²	74	39.5 Å²	39.5	32%	0.322	23%	0.232	S	C	.	.			trans	-66.9	156.9	169.1	-71.9	-170.5	-174.3	159.7	0	111	D30 E31 G32 E110 Y111 A112	D30-K108 PolarHBondContact O-NZ 3.25Å; E31-K108 WeakPolarHBondContact O-CE 3.36Å; E31-K108 PolarHBondContact O-NZ 3Å; G32-K108 PolarHBondContact O-N 3.02Å; K108-E110 WeakPolarHBondContact CB-OE2 3.17Å; K108-E110 PolarHBondContact O-N 3.37Å; K108-E110 VanDerWaalsContact O-N 3.14Å; K108-Y111 PolarHBondContact O-N 3.15Å; K108-A112 PolarHBondContact O-N 3.37Å
109	P	97.1	Very high	96.8	Very high	12 Å²	12	41 Å²	41	8%	0.078	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-56.5	-34.6	-174.4	-23.8	32.9	0	0	0	114.2	Y111 A112 G114 S125	P109-Y111 PolarHBondContact O-N 3.47Å; P109-A112 CarbonylContact O-C 3.56Å; P109-A112 PolarHBondContact O-N 2.88Å; P109-G114 VanDerWaalsContact O-CA 3.25Å; P109-G114 WeakPolarHBondContact O-CA 3.17Å; P109-G114 PolarHBondContact O-N 2.78Å; P109-S125 WeakPolarHBondContact CG-O 3.35Å
110	E	97.4	Very high	96.7	Very high	122 Å²	122	45 Å²	45	57%	0.57	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-63.3	-23.9	-178.9	-61.6	70.3	-150	0	0	112.9	K88 K108	K88-E110 PolarHBondContact NZ-O 3Å; K108-E110 WeakPolarHBondContact CB-OE2 3.17Å; K108-E110 PolarHBondContact O-N 3.37Å; K108-E110 VanDerWaalsContact O-N 3.14Å
111	Y	97.6	Very high	96.5	Very high	21 Å²	21	50 Å²	50	8%	0.082	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-105.3	1.5	176	-65	-93.5	0	0	0	113	D30 V33 K88 A89 I92 K108 P109	D30-Y111 VanDerWaalsContact CG-OH 3.23Å; D30-Y111 WeakPolarHBondContact OD1-CE2 3.45Å; D30-Y111 PolarHBondContact OD1-OH 2.99Å; D30-Y111 VanDerWaalsContact OD1-OH 3.07Å; D30-Y111 WeakPolarHBondContact OD2-CE2 3.32Å; D30-Y111 PolarHBondContact OD2-OH 3.05Å; V33-Y111 HydrophobicContact CG2-CD1 3.73Å; V33-Y111 HydrophobicContact CG2-CD2 4.37Å; V33-Y111 HydrophobicContact CG2-CE1 4.35Å; V33-Y111 HydrophobicContact CG2-CG 3.74Å; K88-Y111 HydrophobicContact CB-CD1 4.21Å; K88-Y111 PolarHBondContact N-O 3.31Å; A89-Y111 WeakPolarHBondContact CB-O 3.17Å; A89-Y111 PolarHBondContact N-O 2.91Å; I92-Y111 HydrophobicContact CD1-CD1 3.72Å; I92-Y111 HydrophobicContact CD1-CE1 3.85Å; K108-Y111 PolarHBondContact O-N 3.15Å; P109-Y111 PolarHBondContact O-N 3.47Å
112	A	96.8	Very high	96.4	Very high	20 Å²	20	50.1 Å²	50.1	17%	0.165	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-119.8	177.4	0	0	0	0	0	110.9	I87 C107 K108 P109 L128	I87-A112 HydrophobicContact CD1-CB 4.19Å; C107-A112 HydrophobicContact CB-CB 4.38Å; K108-A112 PolarHBondContact O-N 3.37Å; P109-A112 CarbonylContact O-C 3.56Å; P109-A112 PolarHBondContact O-N 2.88Å; A112-L128 HydrophobicContact CB-CD1 3.95Å; A112-L128 HydrophobicContact CB-CG 4.32Å
113	Y	96.6	Very high	96.3	Very high	96 Å²	96	52.4 Å²	52.4	38%	0.376	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	6.1	-175.4	-63.2	-85.5	0	0	0	114.4	I87 G117 I122 L128	I87-Y113 HydrophobicContact CG2-CD2 4.25Å; I87-Y113 HydrophobicContact CG2-CE1 4.14Å; I87-Y113 HydrophobicContact CG2-CE2 3.76Å; Y113-G117 PolarHBondContact O-N 2.87Å; Y113-G117 VanDerWaalsContact O-N 3.16Å; Y113-I122 HydrophobicContact CD2-CD1 3.54Å; Y113-I122 HydrophobicContact CD2-CG2 3.98Å; Y113-I122 HydrophobicContact CE2-CD1 3.19Å; Y113-I122 HydrophobicContact CG-CD1 4.4Å; Y113-I122 HydrophobicContact CG-CG2 4.44Å; Y113-L128 HydrophobicContact CD2-CD1 3.8Å; Y113-L128 HydrophobicContact CE2-CD1 3.8Å
114	G	96.5	Very high	96.3	Very high	24 Å²	24	56.3 Å²	56.3	25%	0.247	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	58.5	-156.3	175.7	0	0	0	0	0	114.6	P109 A116 G117 S125	P109-G114 VanDerWaalsContact O-CA 3.25Å; P109-G114 WeakPolarHBondContact O-CA 3.17Å; P109-G114 PolarHBondContact O-N 2.78Å; G114-A116 PolarHBondContact O-N 2.93Å; G114-G117 PolarHBondContact O-N 2.82Å; G114-S125 WeakPolarHBondContact O-CA 3.35Å; G114-S125 PolarHBondContact O-N 3.1Å
115	S	97.2	Very high	96.3	Very high	99 Å²	99	57.1 Å²	57.1	69%	0.692	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-69.9	-15.7	-179.7	55.7	0	0	0	0	114	P124	S115-P124 VanDerWaalsContact O-CB 3.24Å; S115-P124 WeakPolarHBondContact O-CB 3.25Å
116	A	96.3	Very high	96.2	Very high	71 Å²	71	58 Å²	58	59%	0.587	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-80.2	-32.9	176.4	0	0	0	0	0	112.2	G114	G114-A116 PolarHBondContact O-N 2.93Å
117	G	95.9	Very high	96.1	Very high	13 Å²	13	58.9 Å²	58.9	13%	0.134	36%	0.357	C	S	.	.			trans	67.3	-161.1	-170.1	0	0	0	0	0	112.3	Y113 G114 P123	Y113-G117 PolarHBondContact O-N 2.87Å; Y113-G117 VanDerWaalsContact O-N 3.16Å; G114-G117 PolarHBondContact O-N 2.82Å; G117-P123 WeakPolarHBondContact CA-O 3.43Å
118	S	96.1	Very high	96.1	Very high	52 Å²	52	58.9 Å²	58.9	36%	0.364	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-139	78.7	170.4	-167.3	0	0	0	0	109.5	K121 I122	S118-K121 PolarHBondContact O-N 3.34Å; S118-I122 CarbonylContact C-O 3.56Å; S118-I122 VanDerWaalsContact C-O 3.31Å; S118-I122 PolarHBondContact N-O 3.36Å; S118-I122 PolarHBondContact O-N 3.3Å
119	P	91.5	Very high	96.1	Very high	102 Å²	102	55.8 Å²	55.8	66%	0.662	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	148.5	-177	-23.6	34.8	0	0	0	112.7
120	P	94.3	Very high	96.1	Very high	133 Å²	133	55.6 Å²	55.6	86%	0.864	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	cis	-86.3	-7.2	0.4	34.8	-35.8	0	0	0	114
121	K	93.8	Very high	96.2	Very high	127 Å²	127	53.1 Å²	53.1	55%	0.552	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-35.3	-168.2	-67.8	-174.1	175	-169.1	0	113.8	S118	S118-K121 PolarHBondContact O-N 3.34Å
122	I	95.8	Very high	96.2	Very high	8 Å²	8	52.1 Å²	52.1	4%	0.041	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-119.6	113.8	-174.4	-57.7	179.6	0	0	0	108.8	F67 Y113 S118 A126 L128	F67-I122 HydrophobicContact CD2-CD1 4.19Å; F67-I122 HydrophobicContact CD2-CG1 4.34Å; F67-I122 HydrophobicContact CE2-CD1 4.13Å; F67-I122 HydrophobicContact CG-CG1 4.45Å; Y113-I122 HydrophobicContact CD2-CD1 3.54Å; Y113-I122 HydrophobicContact CD2-CG2 3.98Å; Y113-I122 HydrophobicContact CE2-CD1 3.19Å; Y113-I122 HydrophobicContact CG-CD1 4.4Å; Y113-I122 HydrophobicContact CG-CG2 4.44Å; S118-I122 CarbonylContact C-O 3.56Å; S118-I122 VanDerWaalsContact C-O 3.31Å; S118-I122 PolarHBondContact N-O 3.36Å; S118-I122 PolarHBondContact O-N 3.3Å; I122-A126 HydrophobicContact CG2-CB 4.02Å; I122-L128 HydrophobicContact CD1-CD1 4.21Å; I122-L128 HydrophobicContact CG2-CD2 4.05Å
123	P	96.3	Very high	96.2	Very high	61 Å²	61	53.5 Å²	53.5	40%	0.396	33%	0.33	S	S	.	.			trans	-65.3	160.9	177	-22.6	33.8	0	0	0	113.6	L61 G117 A126	L61-P123 HydrophobicContact CD1-CG 4.42Å; G117-P123 WeakPolarHBondContact CA-O 3.43Å; P123-A126 HydrophobicContact CB-CB 4.48Å; P123-A126 WeakPolarHBondContact O-CB 3.45Å; P123-A126 PolarHBondContact O-N 2.9Å
124	P	97.4	Very high	96.3	Very high	83 Å²	83	48.9 Å²	48.9	54%	0.539	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	136.1	163.2	-34	41.3	0	0	0	113.2	S115 A126	S115-P124 VanDerWaalsContact O-CB 3.24Å; S115-P124 WeakPolarHBondContact O-CB 3.25Å; P124-A126 PolarHBondContact O-N 2.93Å; P124-A126 VanDerWaalsContact O-N 3.14Å
125	S	96.3	Very high	96.3	Very high	71 Å²	71	50.8 Å²	50.8	50%	0.497	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	32	174.6	-58	0	0	0	0	114.2	P109 G114	P109-S125 WeakPolarHBondContact CG-O 3.35Å; G114-S125 WeakPolarHBondContact O-CA 3.35Å; G114-S125 PolarHBondContact O-N 3.1Å
126	A	95.8	Very high	96.2	Very high	17 Å²	17	49.9 Å²	49.9	14%	0.14	30%	0.298	C	S	.	.			trans	-78	132.9	179.5	0	0	0	0	0	112.2	L61 I122 P123 P124 L128	L61-A126 HydrophobicContact CD2-CB 4.27Å; I122-A126 HydrophobicContact CG2-CB 4.02Å; P123-A126 HydrophobicContact CB-CB 4.48Å; P123-A126 WeakPolarHBondContact O-CB 3.45Å; P123-A126 PolarHBondContact O-N 2.9Å; P124-A126 PolarHBondContact O-N 2.93Å; P124-A126 VanDerWaalsContact O-N 3.14Å; A126-L128 HydrophobicContact CB-CD2 4.1Å
127	T	96.1	Very high	96.2	Very high	31 Å²	31	48 Å²	48	19%	0.19	28%	0.277	C	S	.	.			trans	-83.1	131.4	164.4	-61.4	0	0	0	0	108.6	L62 T106 C107	L62-T127 HydrophobicContact CD1-CG2 3.88Å; L62-T127 HydrophobicContact CD2-CG2 4.09Å; L62-T127 HydrophobicContact CG-CG2 3.96Å; T106-T127 HydrophobicContact CG2-CG2 3.83Å; C107-T127 WeakPolarHBondContact O-CA 3.45Å; C107-T127 WeakPolarHBondContact O-CG2 3.47Å
128	L	96.8	Very high	96.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	146.8	-176.3	-51.6	-176.6	0	0	0	110.4	L61 F67 T106 C107 A112 Y113 I122 A126 F130	L61-L128 HydrophobicContact CD2-CD2 3.67Å; F67-L128 HydrophobicContact CE1-CB 4.36Å; F67-L128 HydrophobicContact CE1-CD1 4.49Å; F67-L128 HydrophobicContact CE1-CD2 3.82Å; F67-L128 HydrophobicContact CE1-CG 4.45Å; F67-L128 HydrophobicContact CZ-CB 4.42Å; F67-L128 HydrophobicContact CZ-CD1 4.1Å; F67-L128 HydrophobicContact CZ-CD2 4.25Å; T106-L128 WeakPolarHBondContact CA-O 3.39Å; C107-L128 HydrophobicContact CB-CB 4.39Å; C107-L128 PolarHBondContact N-O 2.83Å; C107-L128 PolarHBondContact O-N 3.11Å; A112-L128 HydrophobicContact CB-CD1 3.95Å; A112-L128 HydrophobicContact CB-CG 4.32Å; Y113-L128 HydrophobicContact CD2-CD1 3.8Å; Y113-L128 HydrophobicContact CE2-CD1 3.8Å; I122-L128 HydrophobicContact CD1-CD1 4.21Å; I122-L128 HydrophobicContact CG2-CD2 4.05Å; A126-L128 HydrophobicContact CB-CD2 4.1Å; L128-F130 HydrophobicContact CB-CD2 4.29Å; L128-F130 HydrophobicContact CB-CE2 3.73Å; L128-F130 HydrophobicContact CD1-CE2 3.9Å; L128-F130 HydrophobicContact CD1-CZ 4.1Å; L128-F130 HydrophobicContact CG-CE2 4.5Å
129	V	97.3	Very high	96.2	Very high	9 Å²	9	50.4 Å²	50.4	6%	0.055	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	130.4	171.1	-176	0	0	0	0	108.2	L18 G59 W60 L62 I105 T106	L18-V129 HydrophobicContact CB-CG2 4.29Å; L18-V129 HydrophobicContact CD1-CB 3.96Å; L18-V129 HydrophobicContact CD1-CG1 4.2Å; L18-V129 HydrophobicContact CD1-CG2 4.05Å; G59-V129 CarbonylContact C-O 3.54Å; G59-V129 WeakPolarHBondContact CA-O 3.33Å; W60-V129 PolarHBondContact N-O 2.75Å; W60-V129 PolarHBondContact O-N 3.25Å; L62-V129 HydrophobicContact CD2-CG2 3.92Å; I105-V129 CarbonylContact O-C 3.59Å; I105-V129 WeakPolarHBondContact O-CA 3.37Å; T106-V129 HydrophobicContact CG2-CG2 4.37Å
130	F	97.6	Very high	96.4	Very high	7 Å²	7	47.7 Å²	47.7	3%	0.031	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	142.7	175.4	-69.7	-88.4	0	0	0	110.6	Y57 T58 F67 I87 W90 H104 I105 L128 V132	Y57-F130 HydrophobicContact CD2-CD1 4.08Å; Y57-F130 HydrophobicContact CD2-CE1 4.19Å; Y57-F130 HydrophobicContact CE2-CE1 4.44Å; T58-F130 WeakPolarHBondContact O-CA 3.37Å; F67-F130 AromaticContact CE2-CE1 3.97Å; F67-F130 HydrophobicContact CE2-CE1 3.97Å; F67-F130 AromaticContact CE2-CZ 3.98Å; F67-F130 HydrophobicContact CE2-CZ 3.98Å; F67-F130 AromaticContact CZ-CE1 3.7Å; F67-F130 HydrophobicContact CZ-CE1 3.7Å; F67-F130 HydrophobicContact CZ-CE2 4.22Å; F67-F130 AromaticContact CZ-CZ 3.52Å; F67-F130 HydrophobicContact CZ-CZ 3.52Å; I87-F130 HydrophobicContact CD1-CE2 3.7Å; I87-F130 HydrophobicContact CD1-CZ 4.13Å; W90-F130 AromaticContact CE2-CD1 3.96Å; W90-F130 AromaticContact CZ2-CD1 3.69Å; W90-F130 HydrophobicContact CZ2-CD1 3.69Å; W90-F130 AromaticContact CZ2-CE1 3.93Å; W90-F130 HydrophobicContact CZ2-CE1 3.93Å; W90-F130 HydrophobicContact CZ2-CG 4.26Å; W90-F130 AromaticContact NE1-CD1 3.61Å; W90-F130 AromaticContact NE1-CD2 3.46Å; W90-F130 AromaticContact NE1-CE1 3.75Å; W90-F130 AromaticContact NE1-CE2 3.62Å; W90-F130 AromaticContact NE1-CG 3.44Å; W90-F130 AromaticContact NE1-CZ 3.74Å; H104-F130 CarbonylContact C-O 3.53Å; H104-F130 WeakPolarHBondContact CA-O 3.22Å; I105-F130 HydrophobicContact CB-CB 4.46Å; I105-F130 PolarHBondContact N-O 2.97Å; I105-F130 PolarHBondContact O-N 2.89Å; L128-F130 HydrophobicContact CB-CD2 4.29Å; L128-F130 HydrophobicContact CB-CE2 3.73Å; L128-F130 HydrophobicContact CD1-CE2 3.9Å; L128-F130 HydrophobicContact CD1-CZ 4.1Å; L128-F130 HydrophobicContact CG-CE2 4.5Å; F130-V132 HydrophobicContact CB-CG2 4Å
131	E	97.6	Very high	96.4	Very high	71 Å²	71	43.5 Å²	43.5	33%	0.332	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	127.8	156.8	-177.5	179.6	75.4	0	0	106.9	Y57 T58 W60 V102 C103 H104	Y57-E131 CarbonylContact C-O 3.56Å; Y57-E131 WeakPolarHBondContact CA-O 3.33Å; Y57-E131 WeakPolarHBondContact CB-O 3.14Å; T58-E131 PolarHBondContact N-O 3.2Å; T58-E131 PolarHBondContact O-N 3.23Å; W60-E131 HydrophobicContact CH2-CB 3.98Å; W60-E131 HydrophobicContact CZ3-CB 3.7Å; V102-E131 HydrophobicContact CG1-CG 3.85Å; C103-E131 WeakPolarHBondContact O-CA 3.09Å; H104-E131 IonicContact CD2-OE2 3.56Å; H104-E131 IonicContact NE2-OE2 3.44Å; H104-E131 PolarHBondContact NE2-OE2 3.03Å
132	V	97.9	Very high	96.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	134	-177.7	-176.1	0	0	0	0	109.6	V55 H56 W90 I94 M97 V102 C103 I105 F130	V55-V132 HydrophobicContact CB-CG1 4Å; V55-V132 HydrophobicContact CG1-CG1 4.06Å; V55-V132 HydrophobicContact CG2-CG1 4.48Å; H56-V132 CarbonylContact O-C 3.57Å; H56-V132 WeakPolarHBondContact O-CA 3.33Å; W90-V132 HydrophobicContact CH2-CG2 4.35Å; W90-V132 HydrophobicContact CZ2-CG2 3.89Å; I94-V132 HydrophobicContact CD1-CG1 4.28Å; I94-V132 HydrophobicContact CG1-CG1 4.36Å; M97-V132 HydrophobicContact CE-CG1 4.36Å; M97-V132 WeakPolarHBondContact CE-O 2.8Å; M97-V132 HydrophobicContact SD-CB 4.48Å; M97-V132 HydrophobicContact SD-CG1 4.14Å; V102-V132 VanDerWaalsContact CA-O 3.31Å; V102-V132 WeakPolarHBondContact CA-O 3.41Å; C103-V132 PolarHBondContact N-O 2.93Å; C103-V132 PolarHBondContact O-N 3.4Å; I105-V132 HydrophobicContact CD1-CB 4.25Å; I105-V132 HydrophobicContact CD1-CG2 3.72Å; F130-V132 HydrophobicContact CB-CG2 4Å
133	E	98	Very high	96.4	Very high	48 Å²	48	38.7 Å²	38.7	22%	0.224	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	121.1	170.9	-178.9	174.8	-163	0	0	109.6	R39 V55 H56 E101 V102 F135	R39-E133 IonicContact CZ-OE1 2.71Å; R39-E133 IonicContact NH1-OE1 2.99Å; R39-E133 IonicContact NH2-OE1 3.44Å; R39-E133 PolarHBondContact NH2-OE1 3.16Å; V55-E133 CarbonylContact C-O 3.51Å; V55-E133 WeakPolarHBondContact CA-O 3.41Å; V55-E133 WeakPolarHBondContact CB-O 3.27Å; H56-E133 PolarHBondContact N-O 3.14Å; H56-E133 PolarHBondContact O-N 2.83Å; E101-E133 WeakPolarHBondContact O-CA 3.38Å; V102-E133 HydrophobicContact CG2-CB 3.99Å; V102-E133 HydrophobicContact CG2-CG 3.87Å; E133-F135 HydrophobicContact CB-CE2 4.04Å; E133-F135 HydrophobicContact CG-CD2 4.2Å; E133-F135 HydrophobicContact CG-CE2 3.66Å; E133-F135 HydrophobicContact CG-CZ 3.89Å; E133-F135 WeakPolarHBondContact OE2-CZ 3.07Å
134	L	97.9	Very high	96	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	116.5	175.9	177.7	62.7	0	0	0	110.3	P47 V53 V55 M97 G100 E101 F137	P47-L134 HydrophobicContact CG-CD2 3.7Å; V53-L134 HydrophobicContact CB-CD1 4.27Å; V55-L134 HydrophobicContact CG1-CD1 3.91Å; M97-L134 HydrophobicContact CB-CB 4.21Å; M97-L134 HydrophobicContact CB-CD2 3.7Å; M97-L134 HydrophobicContact CE-CB 3.79Å; M97-L134 HydrophobicContact SD-CB 4.29Å; G100-L134 WeakPolarHBondContact CA-O 3.49Å; G100-L134 PolarHBondContact N-O 3.43Å; E101-L134 PolarHBondContact O-N 3.01Å; E101-L134 VanDerWaalsContact O-N 3.08Å; L134-F137 HydrophobicContact CD2-CD1 4.36Å
135	F	96.3	Very high	95.6	Very high	63 Å²	63	47.3 Å²	47.3	28%	0.276	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-43.7	-179.7	-77.2	-88.7	0	0	0	113.5	F54 H56 K76 V99 E133	F54-F135 WeakPolarHBondContact O-CB 3.49Å; F54-F135 PolarHBondContact O-N 2.84Å; H56-F135 HydrophobicContact CB-CE2 3.83Å; H56-F135 AromaticContact CD2-CE2 3.38Å; H56-F135 WeakPolarHBondContact CD2-CE2 3.46Å; H56-F135 AromaticContact CD2-CZ 3.65Å; H56-F135 AromaticContact CG-CE2 3.88Å; K76-F135 HydrophobicContact CD-CB 4.43Å; K76-F135 HydrophobicContact CD-CD2 4.29Å; K76-F135 HydrophobicContact CD-CG 4.24Å; V99-F135 WeakPolarHBondContact CG1-O 2.98Å; E133-F135 HydrophobicContact CB-CE2 4.04Å; E133-F135 HydrophobicContact CG-CD2 4.2Å; E133-F135 HydrophobicContact CG-CE2 3.66Å; E133-F135 HydrophobicContact CG-CZ 3.89Å; E133-F135 WeakPolarHBondContact OE2-CZ 3.07Å
136	E	96.1	Very high	95.4	Very high	81 Å²	81	51.9 Å²	51.9	38%	0.379	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	152.2	-171.1	-173.3	176.2	-160.9	0	0	108.7	F54 K138	F54-E136 HydrophobicContact CB-CB 4.27Å; F54-E136 HydrophobicContact CD2-CB 4.03Å; F54-E136 HydrophobicContact CD2-CG 4.32Å; F54-E136 HydrophobicContact CG-CB 4.46Å; F54-E136 PolarHBondContact N-O 3.25Å; E136-K138 HydrophobicContact CG-CG 4.41Å; E136-K138 WeakPolarHBondContact OE1-CE 3.48Å; E136-K138 IonicContact OE1-NZ 3.25Å; E136-K138 PolarHBondContact OE1-NZ 3.22Å; E136-K138 WeakPolarHBondContact OE2-CE 3.39Å; E136-K138 IonicContact OE2-NZ 3.28Å
137	F	96.6	Very high	95.2	Very high	30 Å²	30	53.8 Å²	53.8	13%	0.132	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	149.8	162	64	-90.8	0	0	0	109.7	E45 P47 D51 R52 V53 V99 L134	E45-F137 HydrophobicContact CB-CZ 3.88Å; P47-F137 HydrophobicContact CB-CB 4.27Å; P47-F137 HydrophobicContact CB-CD1 4.39Å; P47-F137 HydrophobicContact CB-CD2 4.39Å; P47-F137 HydrophobicContact CB-CG 4.12Å; P47-F137 HydrophobicContact CG-CB 4.06Å; P47-F137 HydrophobicContact CG-CD1 3.61Å; P47-F137 HydrophobicContact CG-CD2 4.45Å; P47-F137 HydrophobicContact CG-CE1 4.1Å; P47-F137 HydrophobicContact CG-CG 3.8Å; D51-F137 HydrophobicContact CB-CD2 4.48Å; D51-F137 WeakPolarHBondContact OD2-CD2 3.25Å; R52-F137 CarbonylContact O-C 3.48Å; R52-F137 WeakPolarHBondContact O-CA 3.42Å; V53-F137 HydrophobicContact CG1-CB 3.88Å; V99-F137 HydrophobicContact CG2-CD1 3.82Å; V99-F137 HydrophobicContact CG2-CE1 3.68Å; L134-F137 HydrophobicContact CD2-CD1 4.36Å
138	K	94.9	Very high	95.1	Very high	102 Å²	102	53.1 Å²	53.1	44%	0.443	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	139.3	179.8	-61.5	-179.9	-175.6	176.1	0	108.9	D51 R52 F54 E136	D51-K138 CarbonylContact C-O 3.47Å; D51-K138 VanDerWaalsContact CA-O 3.25Å; D51-K138 WeakPolarHBondContact CA-O 3.29Å; D51-K138 WeakPolarHBondContact CB-O 3.42Å; R52-K138 PolarHBondContact N-O 2.9Å; R52-K138 PolarHBondContact O-N 2.83Å; F54-K138 HydrophobicContact CE2-CD 4.19Å; F54-K138 HydrophobicContact CE2-CG 4.3Å; E136-K138 HydrophobicContact CG-CG 4.41Å; E136-K138 WeakPolarHBondContact OE1-CE 3.48Å; E136-K138 IonicContact OE1-NZ 3.25Å; E136-K138 PolarHBondContact OE1-NZ 3.22Å; E136-K138 WeakPolarHBondContact OE2-CE 3.39Å; E136-K138 IonicContact OE2-NZ 3.28Å
139	G	95.6	Very high	95.1	Very high	15 Å²	15	53.1 Å²	53.1	16%	0.155	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-62	161.1	170.7	0	0	0	0	0	111.7	D51 D141	D51-G139 WeakPolarHBondContact OD1-CA 3.42Å; G139-D141 PolarHBondContact O-N 3.4Å
140	E	95.2	Very high	95.1	Very high	44 Å²	44	52.8 Å²	52.8	21%	0.206	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	125	178.5	-174	179.9	-141.9	0	0	110.2	K83 L142 I151 R152	K83-E140 IonicContact NZ-OE1 3.55Å; K83-E140 PolarHBondContact NZ-OE1 2.77Å; E140-L142 HydrophobicContact CG-CD2 4.07Å; E140-I151 CarbonylContact O-C 3.46Å; E140-I151 WeakPolarHBondContact O-CA 3.31Å; E140-R152 PolarHBondContact N-O 3.47Å; E140-R152 PolarHBondContact O-N 3.25Å; E140-R152 IonicContact OE1-NH2 2.67Å; E140-R152 IonicContact OE2-CZ 3.75Å; E140-R152 VanDerWaalsContact OE2-CZ 3.28Å; E140-R152 IonicContact OE2-NE 2.66Å; E140-R152 PolarHBondContact OE2-NE 3.49Å; E140-R152 VanDerWaalsContact OE2-NE 3.12Å; E140-R152 IonicContact OE2-NH2 3.92Å; E140-R152 PolarHBondContact OE2-NH2 2.9Å
141	D	95.8	Very high	95.2	Very high	46 Å²	46	54.3 Å²	54.3	25%	0.246	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	123.1	173.5	-166.4	-17.9	0	0	0	110.2	G139 T143 E146 D147 G148 I151	G139-D141 PolarHBondContact O-N 3.4Å; D141-T143 VanDerWaalsContact CG-OG1 3.3Å; D141-T143 WeakPolarHBondContact OD1-CB 3.28Å; D141-T143 WeakPolarHBondContact OD1-CG2 3.12Å; D141-T143 PolarHBondContact OD1-N 3.1Å; D141-T143 PolarHBondContact OD1-OG1 2.88Å; D141-T143 PolarHBondContact OD2-OG1 2.89Å; D141-E146 VanDerWaalsContact OD2-CA 3.27Å; D141-E146 WeakPolarHBondContact OD2-CA 3.21Å; D141-D147 PolarHBondContact OD2-N 3.32Å; D141-G148 WeakPolarHBondContact OD2-CA 3.27Å; D141-G148 PolarHBondContact OD2-N 3.09Å; D141-I151 HydrophobicContact CB-CD1 3.89Å
142	L	95.4	Very high	95.2	Very high	20 Å²	20	51.4 Å²	51.4	11%	0.105	25%	0.251	C	S	.	.			trans	-96.2	0.8	-178.9	-57.4	-173.4	0	0	0	113.3	E140 I150 R152 A207 R210	E140-L142 HydrophobicContact CG-CD2 4.07Å; L142-I150 HydrophobicContact CB-CB 4.13Å; L142-I150 HydrophobicContact CB-CG2 3.96Å; L142-I150 HydrophobicContact CD1-CG2 3.99Å; L142-I150 HydrophobicContact CG-CG2 4.3Å; L142-I150 PolarHBondContact N-O 3.43Å; L142-R152 HydrophobicContact CD1-CB 3.73Å; L142-R152 HydrophobicContact CD1-CG 4.47Å; L142-R152 HydrophobicContact CD2-CB 4.29Å; L142-R152 HydrophobicContact CG-CB 3.96Å; L142-A207 HydrophobicContact CD1-CB 3.96Å; L142-R210 HydrophobicContact CB-CG 4.47Å; L142-R210 HydrophobicContact CD1-CB 4.03Å; L142-R210 HydrophobicContact CD1-CG 4.24Å; L142-R210 HydrophobicContact CD2-CB 4.13Å; L142-R210 HydrophobicContact CD2-CG 4.24Å
143	T	93.1	Very high	95.1	Very high	14 Å²	14	52.2 Å²	52.2	9%	0.086	25%	0.254	C	S	.	.	S	Bend	trans	-82.2	147.2	178.3	67	0	0	0	0	111.3	D141 E145 E146 D147 I150 Y225	D141-T143 VanDerWaalsContact CG-OG1 3.3Å; D141-T143 WeakPolarHBondContact OD1-CB 3.28Å; D141-T143 WeakPolarHBondContact OD1-CG2 3.12Å; D141-T143 PolarHBondContact OD1-N 3.1Å; D141-T143 PolarHBondContact OD1-OG1 2.88Å; D141-T143 PolarHBondContact OD2-OG1 2.89Å; T143-E145 VanDerWaalsContact C-N 3.28Å; T143-E145 PolarHBondContact O-N 2.81Å; T143-E146 PolarHBondContact O-N 3.43Å; T143-E146 WeakPolarHBondContact OG1-CA 3.4Å; T143-E146 PolarHBondContact OG1-N 3.12Å; T143-D147 WeakPolarHBondContact CB-OD1 3.44Å; T143-D147 WeakPolarHBondContact CG2-OD1 3.41Å; T143-D147 PolarHBondContact OG1-N 3.32Å; T143-D147 PolarHBondContact OG1-OD1 2.57Å; T143-D147 VanDerWaalsContact OG1-OD1 3.1Å; T143-I150 HydrophobicContact CG2-CB 4.04Å; T143-I150 HydrophobicContact CG2-CD1 4.31Å; T143-I150 HydrophobicContact CG2-CG1 3.94Å; T143-Y225 HydrophobicContact CG2-CE1 4.02Å; T143-Y225 HydrophobicContact CG2-CE2 4.18Å
144	E	88.7	Confident	95.1	Very high	162 Å²	162	50.7 Å²	50.7	76%	0.757	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-26.9	-179.9	-66.1	177	-172.6	0	0	112.3
145	E	89.6	Confident	94.9	Very high	163 Å²	163	56.6 Å²	56.6	76%	0.762	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	0.3	179.9	-60.8	-175.4	-178.9	0	0	113.1	T143 D147	T143-E145 VanDerWaalsContact C-N 3.28Å; T143-E145 PolarHBondContact O-N 2.81Å; E145-D147 PolarHBondContact O-N 3.35Å
146	E	90.1	Very high	94.8	Very high	166 Å²	166	57.1 Å²	57.1	78%	0.776	28%	0.278	S	S	*	.			trans	52	41	-174.5	-59.3	-178.4	-177.9	0	0	112.7	D141 T143 G148	D141-E146 VanDerWaalsContact OD2-CA 3.27Å; D141-E146 WeakPolarHBondContact OD2-CA 3.21Å; T143-E146 PolarHBondContact O-N 3.43Å; T143-E146 WeakPolarHBondContact OG1-CA 3.4Å; T143-E146 PolarHBondContact OG1-N 3.12Å; E146-G148 VanDerWaalsContact C-N 3.27Å; E146-G148 PolarHBondContact O-N 3.07Å
147	D	92.4	Very high	94.6	Very high	57 Å²	57	60 Å²	60	31%	0.305	29%	0.286	S	S	.	.			trans	-85.6	1.3	-174.4	80.6	-17.9	0	0	0	113.4	D141 T143 E145 G149 K222 Y225	D141-D147 PolarHBondContact OD2-N 3.32Å; T143-D147 WeakPolarHBondContact CB-OD1 3.44Å; T143-D147 WeakPolarHBondContact CG2-OD1 3.41Å; T143-D147 PolarHBondContact OG1-N 3.32Å; T143-D147 PolarHBondContact OG1-OD1 2.57Å; T143-D147 VanDerWaalsContact OG1-OD1 3.1Å; E145-D147 PolarHBondContact O-N 3.35Å; D147-G149 PolarHBondContact O-N 3.11Å; D147-G149 VanDerWaalsContact OD1-CA 3.28Å; D147-G149 WeakPolarHBondContact OD1-CA 3.29Å; D147-G149 PolarHBondContact OD1-N 3.07Å; D147-K222 PolarHBondContact O-NZ 2.61Å; D147-Y225 WeakPolarHBondContact OD2-CE2 3.3Å; D147-Y225 PolarHBondContact OD2-OH 3.2Å
148	G	94.6	Very high	94.5	Very high	17 Å²	17	59.1 Å²	59.1	18%	0.175	29%	0.285	C	S	.	.	S	Bend	trans	68.5	20.3	-175	0	0	0	0	0	113.8	D141 E146 K222	D141-G148 WeakPolarHBondContact OD2-CA 3.27Å; D141-G148 PolarHBondContact OD2-N 3.09Å; E146-G148 VanDerWaalsContact C-N 3.27Å; E146-G148 PolarHBondContact O-N 3.07Å; G148-K222 WeakPolarHBondContact O-CD 3.43Å; G148-K222 WeakPolarHBondContact O-CE 3.11Å
149	G	96.4	Very high	94.4	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.296	C	S	.	.	S	Bend	trans	-71.3	-35.1	-174	0	0	0	0	0	114.6	D147 K222 Y225	D147-G149 PolarHBondContact O-N 3.11Å; D147-G149 VanDerWaalsContact OD1-CA 3.28Å; D147-G149 WeakPolarHBondContact OD1-CA 3.29Å; D147-G149 PolarHBondContact OD1-N 3.07Å; G149-K222 PolarHBondContact O-N 3.4Å; G149-Y225 VanDerWaalsContact CA-CE2 3.49Å
150	I	98.3	Very high	94.2	Very high	3 Å²	3	62.8 Å²	62.8	2%	0.015	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	100	178.7	-52.6	172.3	0	0	0	107.6	L142 T143 R206 A207 V219 Y220 L221 Y225	L142-I150 HydrophobicContact CB-CB 4.13Å; L142-I150 HydrophobicContact CB-CG2 3.96Å; L142-I150 HydrophobicContact CD1-CG2 3.99Å; L142-I150 HydrophobicContact CG-CG2 4.3Å; L142-I150 PolarHBondContact N-O 3.43Å; T143-I150 HydrophobicContact CG2-CB 4.04Å; T143-I150 HydrophobicContact CG2-CD1 4.31Å; T143-I150 HydrophobicContact CG2-CG1 3.94Å; I150-R206 HydrophobicContact CD1-CB 3.67Å; I150-R206 HydrophobicContact CD1-CG 4.45Å; I150-A207 HydrophobicContact CG2-CB 4Å; I150-V219 HydrophobicContact CG2-CG1 3.84Å; I150-Y220 WeakPolarHBondContact CA-O 3.43Å; I150-L221 HydrophobicContact CB-CD2 4.28Å; I150-L221 HydrophobicContact CG1-CD2 3.98Å; I150-L221 HydrophobicContact CG2-CD2 3.9Å; I150-Y225 HydrophobicContact CD1-CD1 3.52Å; I150-Y225 HydrophobicContact CD1-CE1 3.93Å; I150-Y225 HydrophobicContact CD1-CG 4.27Å; I150-Y225 HydrophobicContact CG1-CD1 3.46Å; I150-Y225 VanDerWaalsContact CG1-CD1 3.46Å; I150-Y225 HydrophobicContact CG1-CD2 4.45Å; I150-Y225 HydrophobicContact CG1-CE1 4.05Å; I150-Y225 HydrophobicContact CG1-CG 3.7Å
151	I	98	Very high	93.9	Very high	39 Å²	39	70.7 Å²	70.7	20%	0.2	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	124.6	177.6	-57	-57	0	0	0	109.7	E140 D141 V219 Y220	E140-I151 CarbonylContact O-C 3.46Å; E140-I151 WeakPolarHBondContact O-CA 3.31Å; D141-I151 HydrophobicContact CB-CD1 3.89Å; I151-V219 CarbonylContact O-C 3.52Å; I151-V219 WeakPolarHBondContact O-CA 3.43Å; I151-Y220 PolarHBondContact N-O 2.97Å; I151-Y220 PolarHBondContact O-N 3.23Å
152	R	97.7	Very high	93.8	Very high	10 Å²	10	71.2 Å²	71.2	4%	0.038	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	139.6	176.6	-179.4	176.3	66.6	168.9	-6.2	111.2	E140 L142 I154 R210 E215 I218	E140-R152 PolarHBondContact N-O 3.47Å; E140-R152 PolarHBondContact O-N 3.25Å; E140-R152 IonicContact OE1-NH2 2.67Å; E140-R152 IonicContact OE2-CZ 3.75Å; E140-R152 VanDerWaalsContact OE2-CZ 3.28Å; E140-R152 IonicContact OE2-NE 2.66Å; E140-R152 PolarHBondContact OE2-NE 3.49Å; E140-R152 VanDerWaalsContact OE2-NE 3.12Å; E140-R152 IonicContact OE2-NH2 3.92Å; E140-R152 PolarHBondContact OE2-NH2 2.9Å; L142-R152 HydrophobicContact CD1-CB 3.73Å; L142-R152 HydrophobicContact CD1-CG 4.47Å; L142-R152 HydrophobicContact CD2-CB 4.29Å; L142-R152 HydrophobicContact CG-CB 3.96Å; R152-I154 HydrophobicContact CG-CG1 4.28Å; R152-R210 PolarHBondContact NH1-O 3.37Å; R152-E215 WeakPolarHBondContact CD-OE1 3.47Å; R152-E215 IonicContact CZ-OE1 3.41Å; R152-E215 IonicContact NE-OE1 3.26Å; R152-E215 IonicContact NH1-OE1 2.68Å; R152-E215 PolarHBondContact NH1-OE1 3.31Å; R152-E215 IonicContact NH1-OE2 3.5Å; R152-E215 PolarHBondContact NH1-OE2 2.67Å; R152-I218 CarbonylContact C-O 3.56Å; R152-I218 WeakPolarHBondContact CA-O 3.32Å
153	R	96.8	Very high	93.9	Very high	17 Å²	17	74.1 Å²	74.1	6%	0.064	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.9	165.2	-56.1	-151.7	-47.9	-152	-2.8	110.6	E45 M48 S217 I218 Y220	E45-R153 VanDerWaalsContact CD-NH1 3.26Å; E45-R153 IonicContact OE1-CZ 2.8Å; E45-R153 IonicContact OE1-NH1 3.87Å; E45-R153 PolarHBondContact OE1-NH1 2.82Å; E45-R153 IonicContact OE1-NH2 3.95Å; E45-R153 PolarHBondContact OE1-NH2 3.03Å; E45-R153 IonicContact OE2-CZ 3.97Å; E45-R153 IonicContact OE2-NH1 3.69Å; E45-R153 PolarHBondContact OE2-NH1 3.16Å; E45-R153 IonicContact OE2-NH2 2.74Å; M48-R153 HydrophobicContact CB-CB 4.27Å; M48-R153 HydrophobicContact SD-CB 3.79Å; R153-S217 CarbonylContact O-C 3.56Å; R153-S217 WeakPolarHBondContact O-CA 3.46Å; R153-I218 PolarHBondContact N-O 2.99Å; R153-I218 PolarHBondContact O-N 3.21Å; R153-Y220 HydrophobicContact CG-CE2 4.37Å
154	I	96.6	Very high	94.1	Very high	16 Å²	16	73.7 Å²	73.7	8%	0.082	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	113.5	-172.6	-52.9	168.8	0	0	0	109.7	I49 R152 T156 E215	I49-I154 HydrophobicContact CB-CB 4.1Å; I49-I154 HydrophobicContact CB-CG2 4.37Å; I49-I154 HydrophobicContact CG2-CB 4.41Å; I49-I154 HydrophobicContact CG2-CG2 4.5Å; I49-I154 PolarHBondContact N-O 2.86Å; I49-I154 VanDerWaalsContact O-CB 3.27Å; I49-I154 WeakPolarHBondContact O-CB 3.42Å; I49-I154 PolarHBondContact O-N 3.46Å; R152-I154 HydrophobicContact CG-CG1 4.28Å; I154-T156 WeakPolarHBondContact CG2-O 3.42Å; I154-E215 HydrophobicContact CG2-CG 4.02Å
155	R	94.3	Very high	94.4	Very high	124 Å²	124	66.9 Å²	66.9	47%	0.468	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-41.5	174.7	-78.9	-168	174.8	164.2	13.6	112.2	M48 H216 I218 E246	M48-R155 HydrophobicContact CE-CG 4.36Å; M48-R155 HydrophobicContact SD-CG 3.96Å; R155-H216 WeakPolarHBondContact CA-O 3.36Å; R155-H216 HydrophobicContact CB-CB 4.37Å; R155-H216 PolarHBondContact N-O 2.82Å; R155-I218 HydrophobicContact CG-CD1 4.37Å; R155-I218 HydrophobicContact CG-CG1 4.29Å; R155-E246 IonicContact CZ-OE1 2.75Å; R155-E246 IonicContact CZ-OE2 3.71Å; R155-E246 IonicContact NH1-OE1 3.05Å; R155-E246 PolarHBondContact NH1-OE1 3.48Å; R155-E246 IonicContact NH1-OE2 2.67Å; R155-E246 PolarHBondContact NH1-OE2 3.05Å; R155-E246 IonicContact NH2-OE1 3.52Å; R155-E246 PolarHBondContact NH2-OE1 3.02Å; R155-E246 IonicContact NH2-OE2 2.78Å
156	T	94.3	Very high	94.4	Very high	73 Å²	73	64.2 Å²	64.2	45%	0.448	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	123.3	178.9	-51.1	0	0	0	0	108.1	I154 E215 H216	I154-T156 WeakPolarHBondContact CG2-O 3.42Å; T156-E215 WeakPolarHBondContact O-CA 3.42Å; T156-H216 PolarHBondContact N-O 2.9Å; T156-H216 PolarHBondContact O-N 2.81Å
157	R	93.2	Very high	94.4	Very high	143 Å²	143	56.8 Å²	56.8	54%	0.54	29%	0.286	S	S	.	.			trans	-64.3	139.7	179.5	-167.5	179.8	-178.2	160.1	2.2	109.9	I49	I49-R157 HydrophobicContact CD1-CB 4.33Å
158	G	93.6	Very high	94.5	Very high	11 Å²	11	54 Å²	54	11%	0.113	27%	0.271	C	S	.	.			trans	-74.8	-178.5	171	0	0	0	0	0	113	K213	G158-K213 CarbonylContact C-O 3.55Å; G158-K213 WeakPolarHBondContact CA-O 3.4Å
159	E	91.9	Very high	94.5	Very high	146 Å²	146	54.5 Å²	54.5	68%	0.682	27%	0.27	S	S	*	.	B	Isolated β-bridge	trans	-113.6	139.7	179.9	-60.1	178.6	-172	0	0	110.5	K213	E159-K213 PolarHBondContact N-O 2.88Å
160	G	91.2	Very high	94.6	Very high	48 Å²	48	54.5 Å²	54.5	50%	0.495	27%	0.27	S	S	.	.	S	Bend	trans	78	-171.2	-179.2	0	0	0	0	0	113.3
161	Y	89.3	Confident	94.6	Very high	210 Å²	210	57.9 Å²	57.9	82%	0.824	29%	0.285	S	S	*	.	S	Bend	trans	-119.3	-7.4	-175.8	-55.5	-75.6	0	0	0	113
162	A	94.5	Very high	94.7	Very high	57 Å²	57	56.2 Å²	56.2	47%	0.471	28%	0.277	S	S	.	.			trans	-75.9	144.3	-178.3	0	0	0	0	0	110	F252	A162-F252 VanDerWaalsContact C-CZ 3.48Å; A162-F252 HydrophobicContact CB-CE2 4.38Å; A162-F252 HydrophobicContact CB-CZ 3.8Å; A162-F252 VanDerWaalsContact O-CZ 3.32Å; A162-F252 WeakPolarHBondContact O-CZ 3.45Å
163	K	97.1	Very high	94.7	Very high	80 Å²	80	56.8 Å²	56.8	35%	0.348	28%	0.284	S	S	.	.			trans	-129.3	149.5	177.3	-58.7	-180	178	-177.8	0	110	F252	K163-F252 VanDerWaalsContact C-CE2 3.48Å
164	P	97.5	Very high	94.8	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.032	28%	0.281	C	S	.	.			trans	-60.7	137.7	174.4	-17.6	28.5	0	0	0	111.3	A168 V170 I192 I208 M211 L249 F252	P164-A168 HydrophobicContact CB-CB 3.91Å; P164-V170 HydrophobicContact CB-CG1 3.83Å; P164-V170 HydrophobicContact CG-CG1 3.92Å; P164-I192 HydrophobicContact CB-CG1 4.46Å; P164-I208 HydrophobicContact CG-CG2 4.3Å; P164-M211 WeakPolarHBondContact CD-O 3.28Å; P164-L249 HydrophobicContact CG-CD2 3.82Å; P164-F252 HydrophobicContact CB-CB 4.48Å; P164-F252 HydrophobicContact CB-CD2 4.09Å; P164-F252 HydrophobicContact CB-CG 4.27Å; P164-F252 HydrophobicContact CG-CB 4.03Å; P164-F252 HydrophobicContact CG-CD1 3.91Å; P164-F252 HydrophobicContact CG-CD2 3.88Å; P164-F252 HydrophobicContact CG-CE1 4.35Å; P164-F252 HydrophobicContact CG-CE2 4.33Å; P164-F252 HydrophobicContact CG-CG 3.67Å
165	N	94.3	Very high	94.9	Very high	20 Å²	20	57.9 Å²	57.9	11%	0.107	29%	0.289	C	S	.	.			trans	-99.7	174.7	168.8	60.4	-30.4	0	0	0	111.5	G167 A168 K254 A255 E257	N165-G167 PolarHBondContact O-N 3.49Å; N165-A168 WeakPolarHBondContact O-CB 3.44Å; N165-A168 PolarHBondContact O-N 2.64Å; N165-K254 WeakPolarHBondContact OD1-CA 3.41Å; N165-K254 WeakPolarHBondContact OD1-CB 3.3Å; N165-A255 PolarHBondContact ND2-O 3.31Å; N165-A255 PolarHBondContact OD1-N 2.89Å; N165-E257 PolarHBondContact ND2-OE1 2.7Å
166	E	89.4	Confident	95.1	Very high	106 Å²	106	52 Å²	52	50%	0.495	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	132.1	171.2	-168.6	67.4	-167.2	0	0	110.4	A168 G193 Q209 A255	E166-A168 VanDerWaalsContact C-N 3.27Å; E166-A168 PolarHBondContact O-N 3.31Å; E166-G193 VanDerWaalsContact OE1-CA 3.28Å; E166-G193 WeakPolarHBondContact OE1-CA 3.27Å; E166-Q209 PolarHBondContact OE2-NE2 2.92Å; E166-A255 WeakPolarHBondContact O-CB 3.44Å
167	G	90.2	Very high	95.3	Very high	10 Å²	10	50.3 Å²	50.3	10%	0.103	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	0.3	-175.3	0	0	0	0	0	115.4	N165 E191 I192 A255	N165-G167 PolarHBondContact O-N 3.49Å; G167-E191 VanDerWaalsContact O-CG 3.29Å; G167-E191 WeakPolarHBondContact O-CG 3.36Å; G167-I192 VanDerWaalsContact CA-O 3.31Å; G167-I192 WeakPolarHBondContact CA-O 3.35Å; G167-I192 PolarHBondContact N-O 2.95Å; G167-A255 VanDerWaalsContact C-CB 3.44Å; G167-A255 WeakPolarHBondContact O-CB 3.37Å
168	A	95	Very high	95.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.237	C	C	.	.			trans	-65.4	145.1	173.5	0	0	0	0	0	111.1	P164 N165 E166 E191 I192 E253	P164-A168 HydrophobicContact CB-CB 3.91Å; N165-A168 WeakPolarHBondContact O-CB 3.44Å; N165-A168 PolarHBondContact O-N 2.64Å; E166-A168 VanDerWaalsContact C-N 3.27Å; E166-A168 PolarHBondContact O-N 3.31Å; A168-E191 CarbonylContact O-C 3.41Å; A168-E191 WeakPolarHBondContact O-CA 3.43Å; A168-I192 HydrophobicContact CB-CG1 4.48Å; A168-I192 PolarHBondContact O-N 2.91Å; A168-E253 CarbonylContact C-O 3.55Å; A168-E253 VanDerWaalsContact CA-O 3.28Å; A168-E253 WeakPolarHBondContact CA-O 3.43Å; A168-E253 WeakPolarHBondContact CB-O 3.31Å
169	I	96.1	Very high	95.7	Very high	27 Å²	27	53.3 Å²	53.3	14%	0.138	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	121.1	171.4	-55.4	-65.3	0	0	0	108.3	R189 F190 E191 F252 E253	I169-R189 HydrophobicContact CG2-CG 4.03Å; I169-F190 WeakPolarHBondContact CA-O 3.35Å; I169-E191 HydrophobicContact CD1-CB 3.73Å; I169-E191 HydrophobicContact CD1-CG 3.79Å; I169-F252 CarbonylContact O-C 3.35Å; I169-F252 WeakPolarHBondContact O-CA 3.45Å; I169-F252 WeakPolarHBondContact O-CB 3.32Å; I169-E253 PolarHBondContact N-O 3.09Å; I169-E253 PolarHBondContact O-N 3.18Å
170	V	98.3	Very high	95.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	147.2	-179.1	-60	0	0	0	0	110.9	P164 V172 R189 F190 I192 I208 L249 F252	P164-V170 HydrophobicContact CB-CG1 3.83Å; P164-V170 HydrophobicContact CG-CG1 3.92Å; V170-V172 HydrophobicContact CB-CG1 4.33Å; V170-V172 HydrophobicContact CG2-CG1 4.18Å; V170-R189 VanDerWaalsContact O-CA 3.27Å; V170-R189 WeakPolarHBondContact O-CA 3.35Å; V170-F190 HydrophobicContact CG2-CD1 3.7Å; V170-F190 HydrophobicContact CG2-CE1 3.41Å; V170-F190 VanDerWaalsContact CG2-CE1 3.41Å; V170-F190 HydrophobicContact CG2-CE2 4.33Å; V170-F190 HydrophobicContact CG2-CG 4.28Å; V170-F190 HydrophobicContact CG2-CZ 3.76Å; V170-F190 PolarHBondContact N-O 3.39Å; V170-F190 PolarHBondContact O-N 2.94Å; V170-I192 HydrophobicContact CG1-CD1 3.96Å; V170-I192 HydrophobicContact CG1-CG1 3.72Å; V170-I192 HydrophobicContact CG2-CD1 3.91Å; V170-I192 HydrophobicContact CG2-CG1 4.27Å; V170-I208 HydrophobicContact CB-CG2 4.45Å; V170-I208 HydrophobicContact CG1-CG2 4.04Å; V170-I208 HydrophobicContact CG2-CG2 4.43Å; V170-L249 HydrophobicContact CB-CD1 4.1Å; V170-L249 HydrophobicContact CG1-CD1 4.32Å; V170-F252 HydrophobicContact CB-CB 4.39Å; V170-F252 HydrophobicContact CG1-CB 3.84Å
171	E	98.6	Very high	96.1	Very high	74 Å²	74	57 Å²	57	35%	0.346	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	114.3	167.6	-69	176.8	177.6	0	0	108.5	L188 R189 K250 S251	E171-L188 WeakPolarHBondContact CA-O 3.42Å; E171-R189 HydrophobicContact CG-CB 4.03Å; E171-R189 HydrophobicContact CG-CG 3.73Å; E171-R189 WeakPolarHBondContact OE1-CD 3.47Å; E171-R189 IonicContact OE1-NE 2.84Å; E171-R189 PolarHBondContact OE1-NE 3.13Å; E171-K250 HydrophobicContact CB-CB 4.32Å; E171-K250 WeakPolarHBondContact O-CB 3.32Å; E171-K250 PolarHBondContact O-N 3.35Å; E171-S251 WeakPolarHBondContact CB-OG 3.43Å; E171-S251 VanDerWaalsContact CD-OG 3.22Å; E171-S251 PolarHBondContact N-O 3.23Å; E171-S251 PolarHBondContact O-N 3.48Å; E171-S251 PolarHBondContact OE2-OG 3.32Å
172	V	98.4	Very high	96.5	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143.5	-176.1	-61.4	0	0	0	0	111.1	V170 L174 E187 L188 F190 I208 H248 L249	V170-V172 HydrophobicContact CB-CG1 4.33Å; V170-V172 HydrophobicContact CG2-CG1 4.18Å; V172-L174 HydrophobicContact CG2-CD2 4.29Å; V172-E187 CarbonylContact O-C 3.54Å; V172-E187 VanDerWaalsContact O-CA 3.32Å; V172-E187 WeakPolarHBondContact O-CA 2.98Å; V172-L188 HydrophobicContact CG2-CB 4.27Å; V172-L188 PolarHBondContact N-O 2.81Å; V172-L188 PolarHBondContact O-N 3.49Å; V172-F190 HydrophobicContact CG2-CD1 4.28Å; V172-F190 HydrophobicContact CG2-CE1 3.72Å; V172-I208 HydrophobicContact CG1-CD1 4.17Å; V172-I208 HydrophobicContact CG1-CG1 4.49Å; V172-I208 HydrophobicContact CG1-CG2 4.45Å; V172-H248 VanDerWaalsContact CA-O 3.28Å; V172-H248 WeakPolarHBondContact CA-O 3.45Å; V172-L249 HydrophobicContact CG1-CD1 3.8Å
173	A	98.7	Very high	96.7	Very high	22 Å²	22	49.6 Å²	49.6	18%	0.182	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	134.1	155.7	0	0	0	0	0	108.2	E187 L247 H248	A173-E187 HydrophobicContact CB-CG 3.94Å; A173-L247 WeakPolarHBondContact O-CA 3.46Å; A173-H248 HydrophobicContact CB-CB 4.26Å; A173-H248 PolarHBondContact N-O 2.91Å; A173-H248 PolarHBondContact O-N 2.99Å
174	L	98.2	Very high	96.7	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.016	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	148.1	-177.7	67.2	87	0	0	0	112	V172 D184 Q185 R186 L188 L200 L204 Y245 E246 L247	V172-L174 HydrophobicContact CG2-CD2 4.29Å; L174-D184 HydrophobicContact CD1-CB 4.4Å; L174-Q185 WeakPolarHBondContact O-CA 3.4Å; L174-R186 PolarHBondContact N-O 2.95Å; L174-R186 PolarHBondContact O-N 2.75Å; L174-R186 VanDerWaalsContact O-N 3.09Å; L174-L188 HydrophobicContact CD2-CD1 3.75Å; L174-L188 HydrophobicContact CD2-CG 4.46Å; L174-L200 HydrophobicContact CD2-CD1 4.41Å; L174-L200 HydrophobicContact CD2-CD2 3.67Å; L174-L204 HydrophobicContact CD2-CD2 4.5Å; L174-Y245 HydrophobicContact CD1-CD1 4.47Å; L174-Y245 HydrophobicContact CD1-CE1 4.18Å; L174-E246 CarbonylContact C-O 3.59Å; L174-E246 WeakPolarHBondContact CA-O 3.43Å; L174-L247 HydrophobicContact CB-CD2 3.54Å
175	E	98.7	Very high	96.8	Very high	53 Å²	53	51.7 Å²	51.7	25%	0.248	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	120.5	168.9	-67.5	-179.9	177.5	0	0	109.2	Y177 L182 D184 Q185 Y245 E246	E175-Y177 HydrophobicContact CB-CD2 4.41Å; E175-Y177 HydrophobicContact CB-CE2 3.53Å; E175-Y177 PolarHBondContact OE2-OH 3.21Å; E175-L182 HydrophobicContact CB-CD1 3.93Å; E175-L182 HydrophobicContact CG-CD1 4.35Å; E175-D184 CarbonylContact C-O 3.38Å; E175-D184 VanDerWaalsContact CA-O 3.29Å; E175-D184 WeakPolarHBondContact CA-O 3.29Å; E175-Q185 HydrophobicContact CG-CB 4.3Å; E175-Q185 HydrophobicContact CG-CG 3.88Å; E175-Q185 PolarHBondContact OE1-NE2 3.44Å; E175-Y245 CarbonylContact O-C 3.57Å; E175-Y245 WeakPolarHBondContact O-CA 3.43Å; E175-Y245 WeakPolarHBondContact O-CD1 3.28Å; E175-E246 HydrophobicContact CB-CB 4.37Å; E175-E246 PolarHBondContact N-O 3.44Å; E175-E246 PolarHBondContact O-N 3.31Å
176	G	98.6	Very high	96.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.9	179.4	0	0	0	0	0	111.8	L182 F183 D184 Y245	G176-L182 WeakPolarHBondContact O-CA 3.37Å; G176-F183 VanDerWaalsContact C-CD1 3.47Å; G176-F183 VanDerWaalsContact O-CD1 3.23Å; G176-F183 WeakPolarHBondContact O-CD1 3.39Å; G176-F183 PolarHBondContact O-N 2.67Å; G176-D184 PolarHBondContact N-O 3.16Å; G176-D184 PolarHBondContact O-N 3.41Å; G176-Y245 VanDerWaalsContact CA-CD1 3.46Å; G176-Y245 VanDerWaalsContact CA-CE1 3.44Å
177	Y	98.7	Very high	97.4	Very high	39 Å²	39	55.6 Å²	55.6	15%	0.153	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.7	-177.3	-60.9	-94.7	0	0	0	111.6	E175 Q181 L182 F183 K244 E246	E175-Y177 HydrophobicContact CB-CD2 4.41Å; E175-Y177 HydrophobicContact CB-CE2 3.53Å; E175-Y177 PolarHBondContact OE2-OH 3.21Å; Y177-Q181 CarbonylContact C-O 3.31Å; Y177-Q181 VanDerWaalsContact CA-O 3.28Å; Y177-Q181 WeakPolarHBondContact CA-O 3.45Å; Y177-L182 HydrophobicContact CD1-CB 4.11Å; Y177-L182 HydrophobicContact CD1-CD1 4.24Å; Y177-L182 HydrophobicContact CE1-CB 3.87Å; Y177-L182 HydrophobicContact CE1-CD1 3.75Å; Y177-L182 HydrophobicContact CE1-CG 4.42Å; Y177-L182 HydrophobicContact CE2-CD1 4.06Å; Y177-F183 VanDerWaalsContact C-CE1 3.45Å; Y177-F183 VanDerWaalsContact N-CE1 3.27Å; Y177-K244 PolarHBondContact N-O 2.82Å; Y177-K244 PolarHBondContact O-N 3.44Å; Y177-E246 HydrophobicContact CE2-CG 4.09Å
178	Y	98.3	Very high	97.7	Very high	50 Å²	50	56.6 Å²	56.6	20%	0.196	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	120.2	170	173.4	-118.2	0	0	0	108.5	D180 Q181 P238 A241 E242 L243	Y178-D180 PolarHBondContact O-N 3.04Å; Y178-Q181 PolarHBondContact N-O 3.44Å; Y178-Q181 WeakPolarHBondContact O-CB 3.42Å; Y178-Q181 PolarHBondContact O-N 2.84Å; Y178-P238 HydrophobicContact CE1-CG 4.21Å; Y178-P238 VanDerWaalsContact OH-CG 3.27Å; Y178-P238 WeakPolarHBondContact OH-CG 3.45Å; Y178-A241 HydrophobicContact CD2-CB 3.92Å; Y178-A241 HydrophobicContact CE2-CB 3.5Å; Y178-A241 VanDerWaalsContact CE2-CB 3.5Å; Y178-E242 WeakPolarHBondContact CD2-O 3.47Å; Y178-L243 HydrophobicContact CD2-CD2 4.01Å; Y178-L243 HydrophobicContact CG-CD2 4.36Å
179	K	95.9	Very high	97.8	Very high	167 Å²	167	64.3 Å²	64.3	73%	0.726	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	44.7	-172.3	-63.3	178.6	172.8	172.5	0	112.3	Q181	K179-Q181 PolarHBondContact O-N 2.73Å; K179-Q181 VanDerWaalsContact O-N 3.09Å
180	D	93.9	Very high	97.7	Very high	122 Å²	122	63.6 Å²	63.6	65%	0.652	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	6.9	-176.5	-58.8	-56.5	0	0	0	116.5	Y178 K244	Y178-D180 PolarHBondContact O-N 3.04Å; D180-K244 IonicContact OD1-NZ 3.87Å; D180-K244 PolarHBondContact OD1-NZ 3.46Å
181	Q	97.8	Very high	97.5	Very high	149 Å²	149	64.1 Å²	64.1	70%	0.696	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	124	169.8	-172.9	174.8	-8.3	0	0	110.5	Y177 Y178 K179 F183	Y177-Q181 CarbonylContact C-O 3.31Å; Y177-Q181 VanDerWaalsContact CA-O 3.28Å; Y177-Q181 WeakPolarHBondContact CA-O 3.45Å; Y178-Q181 PolarHBondContact N-O 3.44Å; Y178-Q181 WeakPolarHBondContact O-CB 3.42Å; Y178-Q181 PolarHBondContact O-N 2.84Å; K179-Q181 PolarHBondContact O-N 2.73Å; K179-Q181 VanDerWaalsContact O-N 3.09Å; Q181-F183 PolarHBondContact O-N 2.96Å
182	L	98.4	Very high	97.4	Very high	73 Å²	73	60.7 Å²	60.7	38%	0.382	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	125.7	174.4	-175.2	73	0	0	0	110.1	E175 G176 Y177 D184 Q185	E175-L182 HydrophobicContact CB-CD1 3.93Å; E175-L182 HydrophobicContact CG-CD1 4.35Å; G176-L182 WeakPolarHBondContact O-CA 3.37Å; Y177-L182 HydrophobicContact CD1-CB 4.11Å; Y177-L182 HydrophobicContact CD1-CD1 4.24Å; Y177-L182 HydrophobicContact CE1-CB 3.87Å; Y177-L182 HydrophobicContact CE1-CD1 3.75Å; Y177-L182 HydrophobicContact CE1-CG 4.42Å; Y177-L182 HydrophobicContact CE2-CD1 4.06Å; L182-D184 WeakPolarHBondContact CD1-O 3.2Å; L182-Q185 HydrophobicContact CD1-CB 4.31Å; L182-Q185 HydrophobicContact CD2-CB 4.2Å
183	F	98.2	Very high	97	Very high	39 Å²	39	61.8 Å²	61.8	17%	0.171	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	-19.1	176.7	71.2	-99.6	0	0	0	113.7	G176 Y177 Q181 F227 F235 I237 L243 Y245	G176-F183 VanDerWaalsContact C-CD1 3.47Å; G176-F183 VanDerWaalsContact O-CD1 3.23Å; G176-F183 WeakPolarHBondContact O-CD1 3.39Å; G176-F183 PolarHBondContact O-N 2.67Å; Y177-F183 VanDerWaalsContact C-CE1 3.45Å; Y177-F183 VanDerWaalsContact N-CE1 3.27Å; Q181-F183 PolarHBondContact O-N 2.96Å; F183-F227 HydrophobicContact CE2-CE2 4.47Å; F183-F235 HydrophobicContact CB-CB 4.3Å; F183-F235 HydrophobicContact CD2-CB 3.7Å; F183-F235 HydrophobicContact CD2-CD1 4.13Å; F183-F235 AromaticContact CD2-CD2 3.65Å; F183-F235 HydrophobicContact CD2-CD2 3.65Å; F183-F235 HydrophobicContact CD2-CE2 4.26Å; F183-F235 AromaticContact CD2-CG 3.59Å; F183-F235 HydrophobicContact CD2-CG 3.59Å; F183-F235 HydrophobicContact CE2-CB 4.42Å; F183-F235 AromaticContact CE2-CD2 3.71Å; F183-F235 HydrophobicContact CE2-CD2 3.71Å; F183-F235 HydrophobicContact CE2-CE2 4.13Å; F183-F235 HydrophobicContact CE2-CG 4.14Å; F183-F235 HydrophobicContact CG-CB 4.23Å; F183-I237 HydrophobicContact CD1-CD1 4.02Å; F183-I237 HydrophobicContact CD2-CD1 3.84Å; F183-I237 HydrophobicContact CE1-CD1 3.81Å; F183-I237 HydrophobicContact CE2-CD1 3.64Å; F183-I237 HydrophobicContact CG-CD1 4.03Å; F183-I237 HydrophobicContact CZ-CD1 3.62Å; F183-L243 HydrophobicContact CE1-CD2 3.86Å; F183-L243 HydrophobicContact CZ-CD1 4.25Å; F183-L243 HydrophobicContact CZ-CD2 4.22Å; F183-Y245 WeakPolarHBondContact CE2-OH 3.4Å; F183-Y245 HydrophobicContact CZ-CE1 4.34Å; F183-Y245 HydrophobicContact CZ-CE2 4.13Å; F183-Y245 AromaticContact CZ-CZ 3.67Å; F183-Y245 VanDerWaalsContact CZ-OH 3.27Å; F183-Y245 WeakPolarHBondContact CZ-OH 3.47Å
184	D	98.1	Very high	96.7	Very high	10 Å²	10	60.9 Å²	60.9	5%	0.053	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	132.7	178.3	-168.1	6.4	0	0	0	109.9	L174 E175 G176 L182 R186 F235	L174-D184 HydrophobicContact CD1-CB 4.4Å; E175-D184 CarbonylContact C-O 3.38Å; E175-D184 VanDerWaalsContact CA-O 3.29Å; E175-D184 WeakPolarHBondContact CA-O 3.29Å; G176-D184 PolarHBondContact N-O 3.16Å; G176-D184 PolarHBondContact O-N 3.41Å; L182-D184 WeakPolarHBondContact CD1-O 3.2Å; D184-R186 IonicContact OD1-CZ 3.74Å; D184-R186 IonicContact OD1-NE 2.88Å; D184-R186 PolarHBondContact OD1-NE 3.48Å; D184-R186 IonicContact OD1-NH2 2.76Å; D184-R186 IonicContact OD2-CZ 3.46Å; D184-R186 IonicContact OD2-NE 2.56Å; D184-R186 IonicContact OD2-NH2 3.07Å; D184-R186 PolarHBondContact OD2-NH2 3.17Å; D184-F235 HydrophobicContact CB-CZ 4.41Å
185	Q	98.4	Very high	96.4	Very high	119 Å²	119	60.7 Å²	60.7	56%	0.556	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.2	109.2	174.5	177.3	176.4	39.1	0	0	108.9	L174 E175 L182	L174-Q185 WeakPolarHBondContact O-CA 3.4Å; E175-Q185 HydrophobicContact CG-CB 4.3Å; E175-Q185 HydrophobicContact CG-CG 3.88Å; E175-Q185 PolarHBondContact OE1-NE2 3.44Å; L182-Q185 HydrophobicContact CD1-CB 4.31Å; L182-Q185 HydrophobicContact CD2-CB 4.2Å
186	R	97.9	Very high	96	Very high	76 Å²	76	63.9 Å²	63.9	29%	0.287	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	156.9	-174.4	-67.1	-178.7	-72.2	157.6	1.8	111.2	L174 D184 L188 L198	L174-R186 PolarHBondContact N-O 2.95Å; L174-R186 PolarHBondContact O-N 2.75Å; L174-R186 VanDerWaalsContact O-N 3.09Å; D184-R186 IonicContact OD1-CZ 3.74Å; D184-R186 IonicContact OD1-NE 2.88Å; D184-R186 PolarHBondContact OD1-NE 3.48Å; D184-R186 IonicContact OD1-NH2 2.76Å; D184-R186 IonicContact OD2-CZ 3.46Å; D184-R186 IonicContact OD2-NE 2.56Å; D184-R186 IonicContact OD2-NH2 3.07Å; D184-R186 PolarHBondContact OD2-NH2 3.17Å; R186-L188 HydrophobicContact CB-CD2 4.16Å; R186-L188 HydrophobicContact CB-CG 4.16Å; R186-L198 PolarHBondContact NH2-O 2.82Å; R186-L198 VanDerWaalsContact NH2-O 3.08Å
187	E	98.4	Very high	95.5	Very high	132 Å²	132	66.4 Å²	66.4	62%	0.617	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.1	159.5	-56.4	-163.7	163.8	0	0	108.8	V172 A173 K250	V172-E187 CarbonylContact O-C 3.54Å; V172-E187 VanDerWaalsContact O-CA 3.32Å; V172-E187 WeakPolarHBondContact O-CA 2.98Å; A173-E187 HydrophobicContact CB-CG 3.94Å; E187-K250 IonicContact OE1-NZ 2.94Å; E187-K250 PolarHBondContact OE1-NZ 2.89Å; E187-K250 IonicContact OE2-NZ 2.83Å; E187-K250 PolarHBondContact OE2-NZ 3.23Å
188	L	96.6	Very high	95.2	Very high	30 Å²	30	66.8 Å²	66.8	16%	0.157	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	139.6	-175	-60.6	177	0	0	0	110.1	E171 V172 L174 R186 F190 L200	E171-L188 WeakPolarHBondContact CA-O 3.42Å; V172-L188 HydrophobicContact CG2-CB 4.27Å; V172-L188 PolarHBondContact N-O 2.81Å; V172-L188 PolarHBondContact O-N 3.49Å; L174-L188 HydrophobicContact CD2-CD1 3.75Å; L174-L188 HydrophobicContact CD2-CG 4.46Å; R186-L188 HydrophobicContact CB-CD2 4.16Å; R186-L188 HydrophobicContact CB-CG 4.16Å; L188-F190 HydrophobicContact CB-CD1 4.15Å; L188-L200 HydrophobicContact CD1-CD1 4.09Å; L188-L200 HydrophobicContact CD1-CD2 4.2Å
189	R	97.4	Very high	95.1	Very high	162 Å²	162	65.9 Å²	65.9	61%	0.611	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.5	113.1	162.8	-175.2	174.7	-172.1	-86.5	-0.5	107.9	I169 V170 E171	I169-R189 HydrophobicContact CG2-CG 4.03Å; V170-R189 VanDerWaalsContact O-CA 3.27Å; V170-R189 WeakPolarHBondContact O-CA 3.35Å; E171-R189 HydrophobicContact CG-CB 4.03Å; E171-R189 HydrophobicContact CG-CG 3.73Å; E171-R189 WeakPolarHBondContact OE1-CD 3.47Å; E171-R189 IonicContact OE1-NE 2.84Å; E171-R189 PolarHBondContact OE1-NE 3.13Å
190	F	95.2	Very high	95.2	Very high	12 Å²	12	58.1 Å²	58.1	5%	0.053	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	168.4	-175.4	77	-77.9	0	0	0	112.4	I169 V170 V172 L188 I192 L198 L200 E205 I208	I169-F190 WeakPolarHBondContact CA-O 3.35Å; V170-F190 HydrophobicContact CG2-CD1 3.7Å; V170-F190 HydrophobicContact CG2-CE1 3.41Å; V170-F190 VanDerWaalsContact CG2-CE1 3.41Å; V170-F190 HydrophobicContact CG2-CE2 4.33Å; V170-F190 HydrophobicContact CG2-CG 4.28Å; V170-F190 HydrophobicContact CG2-CZ 3.76Å; V170-F190 PolarHBondContact N-O 3.39Å; V170-F190 PolarHBondContact O-N 2.94Å; V172-F190 HydrophobicContact CG2-CD1 4.28Å; V172-F190 HydrophobicContact CG2-CE1 3.72Å; L188-F190 HydrophobicContact CB-CD1 4.15Å; F190-I192 HydrophobicContact CE2-CD1 4.1Å; F190-I192 HydrophobicContact CZ-CD1 4.06Å; F190-L198 HydrophobicContact CB-CD1 3.29Å; F190-L198 HydrophobicContact CD1-CD1 4.49Å; F190-L198 HydrophobicContact CD2-CD1 4Å; F190-L198 HydrophobicContact CG-CD1 3.7Å; F190-L200 HydrophobicContact CD1-CD1 4.46Å; F190-L200 HydrophobicContact CE1-CD1 3.93Å; F190-L200 HydrophobicContact CE2-CD1 4.1Å; F190-L200 HydrophobicContact CZ-CD1 3.74Å; F190-E205 HydrophobicContact CE2-CG 4.15Å; F190-E205 HydrophobicContact CZ-CG 4.45Å; F190-I208 HydrophobicContact CE1-CD1 4.34Å; F190-I208 HydrophobicContact CZ-CD1 3.95Å
191	E	94.2	Very high	95.3	Very high	12 Å²	12	52.4 Å²	52.4	6%	0.056	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.8	176.7	-164	-170.8	108	0	0	110	G167 A168 I169 G193 E194 Q292 K295	G167-E191 VanDerWaalsContact O-CG 3.29Å; G167-E191 WeakPolarHBondContact O-CG 3.36Å; A168-E191 CarbonylContact O-C 3.41Å; A168-E191 WeakPolarHBondContact O-CA 3.43Å; I169-E191 HydrophobicContact CD1-CB 3.73Å; I169-E191 HydrophobicContact CD1-CG 3.79Å; E191-G193 PolarHBondContact O-N 2.86Å; E191-E194 HydrophobicContact CB-CG 4.21Å; E191-E194 WeakPolarHBondContact O-CB 3.49Å; E191-E194 PolarHBondContact O-N 3.16Å; E191-Q292 PolarHBondContact OE1-NE2 2.86Å; E191-Q292 PolarHBondContact OE2-NE2 3.49Å; E191-K295 WeakPolarHBondContact OE1-CE 3.29Å; E191-K295 IonicContact OE1-NZ 3.64Å; E191-K295 PolarHBondContact OE1-NZ 3.41Å; E191-K295 IonicContact OE2-NZ 2.7Å; E191-K295 PolarHBondContact OE2-NZ 3.33Å
192	I	95.9	Very high	95.2	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	127.9	174	-65.4	-63.7	0	0	0	109.6	P164 G167 A168 V170 F190 I208 Q209	P164-I192 HydrophobicContact CB-CG1 4.46Å; G167-I192 VanDerWaalsContact CA-O 3.31Å; G167-I192 WeakPolarHBondContact CA-O 3.35Å; G167-I192 PolarHBondContact N-O 2.95Å; A168-I192 HydrophobicContact CB-CG1 4.48Å; A168-I192 PolarHBondContact O-N 2.91Å; V170-I192 HydrophobicContact CG1-CD1 3.96Å; V170-I192 HydrophobicContact CG1-CG1 3.72Å; V170-I192 HydrophobicContact CG2-CD1 3.91Å; V170-I192 HydrophobicContact CG2-CG1 4.27Å; F190-I192 HydrophobicContact CE2-CD1 4.1Å; F190-I192 HydrophobicContact CZ-CD1 4.06Å; I192-I208 HydrophobicContact CD1-CB 4.15Å; I192-I208 HydrophobicContact CD1-CG2 3.78Å; I192-Q209 HydrophobicContact CG2-CG 3.69Å; I192-Q209 VanDerWaalsContact CG2-NE2 3.32Å
193	G	90.3	Very high	95.2	Very high	27 Å²	27	46.9 Å²	46.9	28%	0.278	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	106.1	-10.6	-172.6	0	0	0	0	0	113.1	E166 E191 E205	E166-G193 VanDerWaalsContact OE1-CA 3.28Å; E166-G193 WeakPolarHBondContact OE1-CA 3.27Å; E191-G193 PolarHBondContact O-N 2.86Å; G193-E205 WeakPolarHBondContact CA-OE1 3.5Å; G193-E205 PolarHBondContact N-OE1 2.93Å
194	E	90.9	Very high	95.2	Very high	2 Å²	2	45 Å²	45	1%	0.009	21%	0.209	C	C	.	.			trans	-107.1	2.4	178.3	-57.8	-165	163	0	0	114.1	E191 E196 N197 E205 Y280 Q288 L291 Q292	E191-E194 HydrophobicContact CB-CG 4.21Å; E191-E194 WeakPolarHBondContact O-CB 3.49Å; E191-E194 PolarHBondContact O-N 3.16Å; E194-E196 VanDerWaalsContact C-N 3.32Å; E194-E196 PolarHBondContact O-N 3.29Å; E194-N197 WeakPolarHBondContact O-CB 3.32Å; E194-N197 PolarHBondContact O-N 2.79Å; E194-N197 PolarHBondContact O-ND2 2.82Å; E194-E205 PolarHBondContact N-OE1 3.41Å; E194-Y280 PolarHBondContact OE2-OH 3.09Å; E194-Q288 PolarHBondContact OE2-NE2 3.22Å; E194-L291 HydrophobicContact CG-CD1 3.93Å; E194-Q292 PolarHBondContact OE1-NE2 2.8Å
195	G	92.6	Very high	95.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-59	-33.1	-172.5	0	0	0	0	0	115.1	N197 L198 D199 L200 E205	G195-N197 PolarHBondContact O-N 2.77Å; G195-N197 VanDerWaalsContact O-N 3.14Å; G195-L198 CarbonylContact O-C 3.48Å; G195-L198 WeakPolarHBondContact O-CA 3.49Å; G195-L198 PolarHBondContact O-N 2.83Å; G195-D199 PolarHBondContact O-N 2.91Å; G195-L200 CarbonylContact C-O 3.58Å; G195-L200 WeakPolarHBondContact O-CB 3.45Å; G195-L200 PolarHBondContact O-N 3.25Å; G195-E205 WeakPolarHBondContact CA-OE1 3.27Å; G195-E205 VanDerWaalsContact CA-OE2 3.28Å; G195-E205 WeakPolarHBondContact CA-OE2 3.33Å; G195-E205 VanDerWaalsContact N-CD 3.25Å; G195-E205 PolarHBondContact N-OE1 2.75Å; G195-E205 PolarHBondContact N-OE2 3.42Å
196	E	90.3	Very high	95.1	Very high	120 Å²	120	45.8 Å²	45.8	56%	0.561	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-52.6	-39.2	175.2	-167.6	-158.6	167.4	0	0	111.4	E194 L198 D199 K287	E194-E196 VanDerWaalsContact C-N 3.32Å; E194-E196 PolarHBondContact O-N 3.29Å; E196-L198 PolarHBondContact O-N 2.97Å; E196-D199 PolarHBondContact O-N 2.92Å; E196-K287 IonicContact OE1-NZ 3.5Å; E196-K287 PolarHBondContact OE1-NZ 2.94Å; E196-K287 IonicContact OE2-NZ 3.78Å; E196-K287 PolarHBondContact OE2-NZ 2.92Å
197	N	87.9	Confident	95.1	Very high	53 Å²	53	42.1 Å²	42.1	28%	0.283	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-73.9	-15.2	-178.8	-53	-72	0	0	0	113.1	E194 G195 Q288	E194-N197 WeakPolarHBondContact O-CB 3.32Å; E194-N197 PolarHBondContact O-N 2.79Å; E194-N197 PolarHBondContact O-ND2 2.82Å; G195-N197 PolarHBondContact O-N 2.77Å; G195-N197 VanDerWaalsContact O-N 3.14Å; N197-Q288 HydrophobicContact CB-CG 4.02Å; N197-Q288 VanDerWaalsContact ND2-CG 3.28Å; N197-Q288 WeakPolarHBondContact ND2-CG 3Å
198	L	93.3	Very high	95.1	Very high	47 Å²	47	35.9 Å²	35.9	25%	0.246	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-104.2	13.1	179	-59.6	178.7	0	0	0	112.5	R186 F190 G195 E196 L200	R186-L198 PolarHBondContact NH2-O 2.82Å; R186-L198 VanDerWaalsContact NH2-O 3.08Å; F190-L198 HydrophobicContact CB-CD1 3.29Å; F190-L198 HydrophobicContact CD1-CD1 4.49Å; F190-L198 HydrophobicContact CD2-CD1 4Å; F190-L198 HydrophobicContact CG-CD1 3.7Å; G195-L198 CarbonylContact O-C 3.48Å; G195-L198 WeakPolarHBondContact O-CA 3.49Å; G195-L198 PolarHBondContact O-N 2.83Å; E196-L198 PolarHBondContact O-N 2.97Å; L198-L200 VanDerWaalsContact C-N 3.27Å; L198-L200 HydrophobicContact CB-CD1 4.44Å; L198-L200 HydrophobicContact CB-CG 4.2Å; L198-L200 PolarHBondContact O-N 2.65Å
199	D	96.2	Very high	95.2	Very high	30 Å²	30	35.9 Å²	35.9	16%	0.16	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	30.9	-174.5	-53.5	-55	0	0	0	113.2	G195 E196 F227 K232 K234 F235	G195-D199 PolarHBondContact O-N 2.91Å; E196-D199 PolarHBondContact O-N 2.92Å; D199-F227 VanDerWaalsContact O-CZ 3.29Å; D199-F227 WeakPolarHBondContact O-CZ 3.48Å; D199-K232 WeakPolarHBondContact OD1-CE 3.29Å; D199-K232 IonicContact OD1-NZ 3.88Å; D199-K232 PolarHBondContact OD1-NZ 2.97Å; D199-K234 WeakPolarHBondContact OD2-CD 3.44Å; D199-K234 IonicContact OD2-NZ 3.81Å; D199-K234 PolarHBondContact OD2-NZ 3.14Å; D199-F235 HydrophobicContact CB-CE2 3.65Å; D199-F235 HydrophobicContact CB-CZ 3.81Å
200	L	97.3	Very high	95.1	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	15%	0.154	C	C	.	.			trans	-98.3	136.1	174.6	-54.3	-180	0	0	0	110.6	L174 L188 F190 G195 L198 L204	L174-L200 HydrophobicContact CD2-CD1 4.41Å; L174-L200 HydrophobicContact CD2-CD2 3.67Å; L188-L200 HydrophobicContact CD1-CD1 4.09Å; L188-L200 HydrophobicContact CD1-CD2 4.2Å; F190-L200 HydrophobicContact CD1-CD1 4.46Å; F190-L200 HydrophobicContact CE1-CD1 3.93Å; F190-L200 HydrophobicContact CE2-CD1 4.1Å; F190-L200 HydrophobicContact CZ-CD1 3.74Å; G195-L200 CarbonylContact C-O 3.58Å; G195-L200 WeakPolarHBondContact O-CB 3.45Å; G195-L200 PolarHBondContact O-N 3.25Å; L198-L200 VanDerWaalsContact C-N 3.27Å; L198-L200 HydrophobicContact CB-CD1 4.44Å; L198-L200 HydrophobicContact CB-CG 4.2Å; L198-L200 PolarHBondContact O-N 2.65Å; L200-L204 HydrophobicContact CB-CD2 4.37Å; L200-L204 HydrophobicContact CD2-CD2 4.06Å
201	P	97.2	Very high	95.2	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.019	15%	0.151	C	C	.	.			trans	-64.3	147.2	170.5	-21.2	32.9	0	0	0	112.4	G203 L204 L221 F227 L243 Y245	P201-G203 VanDerWaalsContact C-N 3.26Å; P201-G203 PolarHBondContact O-N 3.12Å; P201-L204 VanDerWaalsContact O-CB 3.23Å; P201-L204 WeakPolarHBondContact O-CB 3.28Å; P201-L204 PolarHBondContact O-N 3.17Å; P201-L221 HydrophobicContact CB-CD1 3.99Å; P201-L221 HydrophobicContact CG-CD1 4.23Å; P201-F227 HydrophobicContact CG-CD1 4.22Å; P201-F227 HydrophobicContact CG-CD2 4.38Å; P201-F227 HydrophobicContact CG-CE1 3.78Å; P201-F227 HydrophobicContact CG-CE2 3.95Å; P201-F227 HydrophobicContact CG-CZ 3.63Å; P201-L243 HydrophobicContact CG-CD1 4.06Å; P201-Y245 WeakPolarHBondContact CD-OH 3.28Å; P201-Y245 HydrophobicContact CG-CE2 4.05Å
202	Y	94.9	Very high	95.4	Very high	105 Å²	105	33.7 Å²	33.7	41%	0.412	16%	0.155	S	C	.	.	H	α-helix	trans	-64.1	-32.1	179.5	81.9	-96.2	0	0	0	112.6	L204 E205 R206 S224 Y225	Y202-L204 PolarHBondContact O-N 3.04Å; Y202-E205 PolarHBondContact O-N 2.86Å; Y202-R206 HydrophobicContact CD2-CG 4.22Å; Y202-R206 WeakPolarHBondContact O-CG 3.44Å; Y202-R206 PolarHBondContact O-N 2.86Å; Y202-S224 WeakPolarHBondContact CE1-O 3.44Å; Y202-S224 PolarHBondContact OH-O 3.01Å; Y202-Y225 HydrophobicContact CD2-CD1 4.35Å; Y202-Y225 AromaticContact CE2-CD1 3.25Å; Y202-Y225 HydrophobicContact CE2-CD1 3.25Å; Y202-Y225 AromaticContact CE2-CE1 3.72Å; Y202-Y225 HydrophobicContact CE2-CE1 3.72Å; Y202-Y225 HydrophobicContact CE2-CG 4.15Å; Y202-Y225 VanDerWaalsContact CZ-CA 3.49Å; Y202-Y225 AromaticContact CZ-CD1 3.38Å; Y202-Y225 AromaticContact CZ-CE1 3.94Å; Y202-Y225 AromaticContact CZ-CG 3.86Å; Y202-Y225 WeakPolarHBondContact OH-CA 3.34Å; Y202-Y225 WeakPolarHBondContact OH-CD1 3.23Å; Y202-Y225 VanDerWaalsContact OH-CE1 3.32Å; Y202-Y225 WeakPolarHBondContact OH-CE1 3.47Å; Y202-Y225 VanDerWaalsContact OH-CG 3.29Å
203	G	97.4	Very high	95.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.1	-27.5	176.1	0	0	0	0	0	112.5	P201 A207 Y225	P201-G203 VanDerWaalsContact C-N 3.26Å; P201-G203 PolarHBondContact O-N 3.12Å; G203-A207 WeakPolarHBondContact O-CB 3.18Å; G203-A207 PolarHBondContact O-N 3.17Å; G203-Y225 WeakPolarHBondContact CA-O 3.48Å; G203-Y225 PolarHBondContact N-O 3.05Å
204	L	98.1	Very high	95.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-70.3	-43.9	175.6	-161.6	69.6	0	0	0	111.7	L174 L200 P201 Y202 R206 A207 I208 L221 Y245 L247	L174-L204 HydrophobicContact CD2-CD2 4.5Å; L200-L204 HydrophobicContact CB-CD2 4.37Å; L200-L204 HydrophobicContact CD2-CD2 4.06Å; P201-L204 VanDerWaalsContact O-CB 3.23Å; P201-L204 WeakPolarHBondContact O-CB 3.28Å; P201-L204 PolarHBondContact O-N 3.17Å; Y202-L204 PolarHBondContact O-N 3.04Å; L204-R206 VanDerWaalsContact C-N 3.32Å; L204-R206 PolarHBondContact O-N 2.61Å; L204-A207 WeakPolarHBondContact O-CB 3.35Å; L204-A207 PolarHBondContact O-N 2.78Å; L204-I208 HydrophobicContact CG-CD1 4.49Å; L204-I208 WeakPolarHBondContact O-CG1 3.39Å; L204-I208 PolarHBondContact O-N 2.84Å; L204-L221 HydrophobicContact CB-CD1 4.3Å; L204-L221 HydrophobicContact CD1-CD1 4.47Å; L204-Y245 HydrophobicContact CD1-CD1 3.93Å; L204-Y245 HydrophobicContact CD1-CD2 3.71Å; L204-Y245 HydrophobicContact CD1-CE2 4.35Å; L204-Y245 HydrophobicContact CD1-CG 3.45Å; L204-Y245 VanDerWaalsContact CD1-CG 3.45Å; L204-Y245 HydrophobicContact CD2-CD1 3.86Å; L204-Y245 HydrophobicContact CD2-CE1 3.81Å; L204-Y245 HydrophobicContact CD2-CE2 4.46Å; L204-Y245 HydrophobicContact CD2-CG 4.21Å; L204-Y245 HydrophobicContact CG-CG 4.48Å; L204-L247 HydrophobicContact CD1-CD1 3.69Å; L204-L247 HydrophobicContact CD1-CD2 4.01Å; L204-L247 HydrophobicContact CD1-CG 4.14Å; L204-L247 HydrophobicContact CD2-CD2 4.4Å; L204-L247 HydrophobicContact CG-CD1 4.31Å; L204-L247 HydrophobicContact CG-CD2 4.36Å
205	E	97.9	Very high	96.2	Very high	18 Å²	18	38.4 Å²	38.4	8%	0.084	17%	0.174	C	C	.	.	H	α-helix	trans	-62.7	-42.1	175.2	-64.2	-174.3	92.7	0	0	111.2	F190 G193 E194 G195 Y202 A207 I208 Q209	F190-E205 HydrophobicContact CE2-CG 4.15Å; F190-E205 HydrophobicContact CZ-CG 4.45Å; G193-E205 WeakPolarHBondContact CA-OE1 3.5Å; G193-E205 PolarHBondContact N-OE1 2.93Å; E194-E205 PolarHBondContact N-OE1 3.41Å; G195-E205 WeakPolarHBondContact CA-OE1 3.27Å; G195-E205 VanDerWaalsContact CA-OE2 3.28Å; G195-E205 WeakPolarHBondContact CA-OE2 3.33Å; G195-E205 VanDerWaalsContact N-CD 3.25Å; G195-E205 PolarHBondContact N-OE1 2.75Å; G195-E205 PolarHBondContact N-OE2 3.42Å; Y202-E205 PolarHBondContact O-N 2.86Å; E205-A207 VanDerWaalsContact C-N 3.3Å; E205-A207 PolarHBondContact O-N 2.9Å; E205-I208 PolarHBondContact O-N 2.74Å; E205-Q209 WeakPolarHBondContact O-CG 3.47Å; E205-Q209 PolarHBondContact O-N 2.92Å
206	R	97.2	Very high	96.5	Very high	127 Å²	127	41.9 Å²	41.9	48%	0.479	19%	0.19	S	C	.	.	H	α-helix	trans	-59.9	-39.6	174.5	-70.8	-74	170.3	161.7	-3.6	112.3	I150 Y202 L204	I150-R206 HydrophobicContact CD1-CB 3.67Å; I150-R206 HydrophobicContact CD1-CG 4.45Å; Y202-R206 HydrophobicContact CD2-CG 4.22Å; Y202-R206 WeakPolarHBondContact O-CG 3.44Å; Y202-R206 PolarHBondContact O-N 2.86Å; L204-R206 VanDerWaalsContact C-N 3.32Å; L204-R206 PolarHBondContact O-N 2.61Å
207	A	98	Very high	96.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.1	-45.8	174.4	0	0	0	0	0	111.6	L142 I150 G203 L204 E205 Q209 R210 M211 V219	L142-A207 HydrophobicContact CD1-CB 3.96Å; I150-A207 HydrophobicContact CG2-CB 4Å; G203-A207 WeakPolarHBondContact O-CB 3.18Å; G203-A207 PolarHBondContact O-N 3.17Å; L204-A207 WeakPolarHBondContact O-CB 3.35Å; L204-A207 PolarHBondContact O-N 2.78Å; E205-A207 VanDerWaalsContact C-N 3.3Å; E205-A207 PolarHBondContact O-N 2.9Å; A207-Q209 VanDerWaalsContact C-N 3.28Å; A207-Q209 PolarHBondContact O-N 3.44Å; A207-R210 WeakPolarHBondContact O-CA 3.4Å; A207-R210 WeakPolarHBondContact O-CB 3.34Å; A207-R210 PolarHBondContact O-N 3.34Å; A207-M211 WeakPolarHBondContact O-CG 3.29Å; A207-M211 PolarHBondContact O-N 3.42Å; A207-V219 HydrophobicContact CB-CB 4.43Å; A207-V219 HydrophobicContact CB-CG1 3.78Å; A207-V219 HydrophobicContact CB-CG2 3.8Å
208	I	98.4	Very high	97.3	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.6	-38.5	178.2	-66.5	161.7	0	0	0	111.6	P164 V170 V172 F190 I192 L204 E205 R210 M211 L247 L249	P164-I208 HydrophobicContact CG-CG2 4.3Å; V170-I208 HydrophobicContact CB-CG2 4.45Å; V170-I208 HydrophobicContact CG1-CG2 4.04Å; V170-I208 HydrophobicContact CG2-CG2 4.43Å; V172-I208 HydrophobicContact CG1-CD1 4.17Å; V172-I208 HydrophobicContact CG1-CG1 4.49Å; V172-I208 HydrophobicContact CG1-CG2 4.45Å; F190-I208 HydrophobicContact CE1-CD1 4.34Å; F190-I208 HydrophobicContact CZ-CD1 3.95Å; I192-I208 HydrophobicContact CD1-CB 4.15Å; I192-I208 HydrophobicContact CD1-CG2 3.78Å; L204-I208 HydrophobicContact CG-CD1 4.49Å; L204-I208 WeakPolarHBondContact O-CG1 3.39Å; L204-I208 PolarHBondContact O-N 2.84Å; E205-I208 PolarHBondContact O-N 2.74Å; I208-R210 PolarHBondContact O-N 2.89Å; I208-R210 VanDerWaalsContact O-N 3.09Å; I208-M211 HydrophobicContact CG1-SD 4.32Å; I208-M211 WeakPolarHBondContact O-CB 3.48Å; I208-M211 PolarHBondContact O-N 2.93Å; I208-L247 HydrophobicContact CG1-CD1 4.06Å; I208-L249 HydrophobicContact CG2-CD1 4.27Å
209	Q	97.8	Very high	97.5	Very high	30 Å²	30	31.7 Å²	31.7	14%	0.14	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-14.1	174.7	-71.5	174	-53.1	0	0	113.9	E166 I192 E205 A207	E166-Q209 PolarHBondContact OE2-NE2 2.92Å; I192-Q209 HydrophobicContact CG2-CG 3.69Å; I192-Q209 VanDerWaalsContact CG2-NE2 3.32Å; E205-Q209 WeakPolarHBondContact O-CG 3.47Å; E205-Q209 PolarHBondContact O-N 2.92Å; A207-Q209 VanDerWaalsContact C-N 3.28Å; A207-Q209 PolarHBondContact O-N 3.44Å
210	R	96.9	Very high	97.6	Very high	111 Å²	111	33.8 Å²	33.8	42%	0.419	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-5.4	176.3	-59.6	-63.8	-174.4	142.2	-1.7	113.5	L142 R152 A207 I208	L142-R210 HydrophobicContact CB-CG 4.47Å; L142-R210 HydrophobicContact CD1-CB 4.03Å; L142-R210 HydrophobicContact CD1-CG 4.24Å; L142-R210 HydrophobicContact CD2-CB 4.13Å; L142-R210 HydrophobicContact CD2-CG 4.24Å; R152-R210 PolarHBondContact NH1-O 3.37Å; A207-R210 WeakPolarHBondContact O-CA 3.4Å; A207-R210 WeakPolarHBondContact O-CB 3.34Å; A207-R210 PolarHBondContact O-N 3.34Å; I208-R210 PolarHBondContact O-N 2.89Å; I208-R210 VanDerWaalsContact O-N 3.09Å
211	M	97.5	Very high	97.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-85.5	152.7	-178.4	-62.7	-179	70.7	0	0	113	P164 A207 I208 E215 L247 L249	P164-M211 WeakPolarHBondContact CD-O 3.28Å; A207-M211 WeakPolarHBondContact O-CG 3.29Å; A207-M211 PolarHBondContact O-N 3.42Å; I208-M211 HydrophobicContact CG1-SD 4.32Å; I208-M211 WeakPolarHBondContact O-CB 3.48Å; I208-M211 PolarHBondContact O-N 2.93Å; M211-E215 VanDerWaalsContact CA-OE2 3.3Å; M211-E215 WeakPolarHBondContact CA-OE2 3.23Å; M211-E215 HydrophobicContact CB-CB 4.47Å; M211-E215 HydrophobicContact CE-CB 3.97Å; M211-E215 HydrophobicContact CE-CG 3.98Å; M211-E215 WeakPolarHBondContact CE-O 3.48Å; M211-E215 WeakPolarHBondContact CG-OE1 3.36Å; M211-L247 HydrophobicContact CE-CB 4.05Å; M211-L247 HydrophobicContact SD-CB 4.14Å; M211-L247 HydrophobicContact SD-CD1 3.93Å; M211-L249 HydrophobicContact CB-CB 4.28Å; M211-L249 HydrophobicContact CB-CD2 3.63Å; M211-L249 HydrophobicContact CE-CB 3.91Å; M211-L249 HydrophobicContact SD-CB 4.36Å
212	E	97.3	Very high	97.8	Very high	30 Å²	30	37.5 Å²	37.5	14%	0.14	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-95.4	160	171.4	-70.8	165	-172.2	0	0	111.4	G214 E215	E212-G214 PolarHBondContact O-N 3.49Å; E212-E215 HydrophobicContact CB-CB 4.46Å; E212-E215 PolarHBondContact N-OE2 3.02Å; E212-E215 WeakPolarHBondContact O-CB 3.39Å; E212-E215 PolarHBondContact O-N 3.35Å; E212-E215 VanDerWaalsContact O-N 3.09Å
213	K	98.1	Very high	97.9	Very high	105 Å²	105	34 Å²	34	46%	0.457	15%	0.152	S	C	.	.	B	Isolated β-bridge	trans	-62.4	133.6	177.6	-178.5	-175.3	173.7	-168.6	0	110.1	G158 E159 E215 F252	G158-K213 CarbonylContact C-O 3.55Å; G158-K213 WeakPolarHBondContact CA-O 3.4Å; E159-K213 PolarHBondContact N-O 2.88Å; K213-E215 PolarHBondContact O-N 2.92Å; K213-F252 HydrophobicContact CB-CD1 4.36Å; K213-F252 HydrophobicContact CB-CE1 3.99Å
214	G	97.8	Very high	97.8	Very high	22 Å²	22	37.1 Å²	37.1	23%	0.227	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	0.6	-176.4	0	0	0	0	0	114.4	E212 L249	E212-G214 PolarHBondContact O-N 3.49Å; G214-L249 VanDerWaalsContact CA-O 3.3Å; G214-L249 WeakPolarHBondContact CA-O 3.36Å; G214-L249 PolarHBondContact N-O 3.38Å
215	E	98.1	Very high	97.7	Very high	2 Å²	2	39 Å²	39	1%	0.009	18%	0.181	C	C	.	.			trans	-67.9	133.4	179.6	-173.4	-175.7	130.1	0	0	111.1	R152 I154 T156 M211 E212 K213 S217 H248 L249	R152-E215 WeakPolarHBondContact CD-OE1 3.47Å; R152-E215 IonicContact CZ-OE1 3.41Å; R152-E215 IonicContact NE-OE1 3.26Å; R152-E215 IonicContact NH1-OE1 2.68Å; R152-E215 PolarHBondContact NH1-OE1 3.31Å; R152-E215 IonicContact NH1-OE2 3.5Å; R152-E215 PolarHBondContact NH1-OE2 2.67Å; I154-E215 HydrophobicContact CG2-CG 4.02Å; T156-E215 WeakPolarHBondContact O-CA 3.42Å; M211-E215 VanDerWaalsContact CA-OE2 3.3Å; M211-E215 WeakPolarHBondContact CA-OE2 3.23Å; M211-E215 HydrophobicContact CB-CB 4.47Å; M211-E215 HydrophobicContact CE-CB 3.97Å; M211-E215 HydrophobicContact CE-CG 3.98Å; M211-E215 WeakPolarHBondContact CE-O 3.48Å; M211-E215 WeakPolarHBondContact CG-OE1 3.36Å; E212-E215 HydrophobicContact CB-CB 4.46Å; E212-E215 PolarHBondContact N-OE2 3.02Å; E212-E215 WeakPolarHBondContact O-CB 3.39Å; E212-E215 PolarHBondContact O-N 3.35Å; E212-E215 VanDerWaalsContact O-N 3.09Å; K213-E215 PolarHBondContact O-N 2.92Å; E215-S217 WeakPolarHBondContact CG-OG 3.49Å; E215-S217 PolarHBondContact OE1-OG 3.27Å; E215-H248 WeakPolarHBondContact O-CA 3.28Å; E215-L249 PolarHBondContact O-N 2.97Å
216	H	98.2	Very high	97.7	Very high	72 Å²	72	38.4 Å²	38.4	33%	0.333	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	123.3	165.7	-71.4	-112.9	0	0	0	109.8	R155 T156 L247 H248	R155-H216 WeakPolarHBondContact CA-O 3.36Å; R155-H216 HydrophobicContact CB-CB 4.37Å; R155-H216 PolarHBondContact N-O 2.82Å; T156-H216 PolarHBondContact N-O 2.9Å; T156-H216 PolarHBondContact O-N 2.81Å; H216-L247 CarbonylContact C-O 3.46Å; H216-L247 VanDerWaalsContact CA-O 3.28Å; H216-L247 WeakPolarHBondContact CA-O 3.3Å; H216-H248 AromaticContact CD2-CD2 3.48Å; H216-H248 PolarHBondContact CD2-CD2 2.69Å; H216-H248 VanDerWaalsContact CD2-CD2 3.48Å; H216-H248 AromaticContact CD2-CG 3.83Å; H216-H248 AromaticContact CD2-NE2 3.92Å; H216-H248 AromaticContact CE1-CD2 3.7Å; H216-H248 AromaticContact CE1-CE1 3.79Å; H216-H248 AromaticContact CE1-CG 3.26Å; H216-H248 AromaticContact CE1-ND1 3.35Å; H216-H248 PolarHBondContact CE1-ND1 3.41Å; H216-H248 VanDerWaalsContact CE1-ND1 3.35Å; H216-H248 AromaticContact ND1-CG 3.77Å; H216-H248 AromaticContact NE2-CD2 3.23Å; H216-H248 PolarHBondContact NE2-CD2 3.04Å; H216-H248 AromaticContact NE2-CE1 3.38Å; H216-H248 PolarHBondContact NE2-CE1 3.24Å; H216-H248 AromaticContact NE2-CG 3.3Å; H216-H248 VanDerWaalsContact NE2-CG 3.3Å; H216-H248 AromaticContact NE2-ND1 3.41Å; H216-H248 PolarHBondContact NE2-ND1 3.35Å; H216-H248 AromaticContact NE2-NE2 3.35Å; H216-H248 PolarHBondContact NE2-NE2 3.5Å
217	S	97.8	Very high	97.7	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	148.6	-175.2	-73.9	0	0	0	0	112.1	R153 E215 L247	R153-S217 CarbonylContact O-C 3.56Å; R153-S217 WeakPolarHBondContact O-CA 3.46Å; E215-S217 WeakPolarHBondContact CG-OG 3.49Å; E215-S217 PolarHBondContact OE1-OG 3.27Å; S217-L247 PolarHBondContact N-O 3.29Å; S217-L247 PolarHBondContact O-N 3.03Å
218	I	98.1	Very high	97.5	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	134.5	165.4	-50.8	169	0	0	0	107.2	M48 R152 R153 R155 Y220 K244 Y245 E246	M48-I218 HydrophobicContact CE-CD1 4.17Å; M48-I218 HydrophobicContact SD-CD1 4.2Å; R152-I218 CarbonylContact C-O 3.56Å; R152-I218 WeakPolarHBondContact CA-O 3.32Å; R153-I218 PolarHBondContact N-O 2.99Å; R153-I218 PolarHBondContact O-N 3.21Å; R155-I218 HydrophobicContact CG-CD1 4.37Å; R155-I218 HydrophobicContact CG-CG1 4.29Å; I218-Y220 HydrophobicContact CB-CE2 4.37Å; I218-Y220 HydrophobicContact CG2-CD2 4.25Å; I218-Y220 HydrophobicContact CG2-CE1 4.5Å; I218-Y220 HydrophobicContact CG2-CE2 3.61Å; I218-K244 HydrophobicContact CG2-CD 4.21Å; I218-K244 HydrophobicContact CG2-CG 3.81Å; I218-Y245 CarbonylContact C-O 3.56Å; I218-Y245 VanDerWaalsContact CA-O 3.29Å; I218-Y245 WeakPolarHBondContact CA-O 3.48Å; I218-E246 HydrophobicContact CG1-CG 4.36Å
219	V	98.4	Very high	97.4	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	125.6	177.4	-178.7	0	0	0	0	109.1	I150 I151 A207 L221 K244 Y245 L247	I150-V219 HydrophobicContact CG2-CG1 3.84Å; I151-V219 CarbonylContact O-C 3.52Å; I151-V219 WeakPolarHBondContact O-CA 3.43Å; A207-V219 HydrophobicContact CB-CB 4.43Å; A207-V219 HydrophobicContact CB-CG1 3.78Å; A207-V219 HydrophobicContact CB-CG2 3.8Å; V219-L221 HydrophobicContact CG1-CD2 3.69Å; V219-L221 HydrophobicContact CG1-CG 4.14Å; V219-K244 CarbonylContact O-C 3.53Å; V219-K244 WeakPolarHBondContact O-CA 3.32Å; V219-Y245 PolarHBondContact N-O 3.18Å; V219-Y245 PolarHBondContact O-N 2.96Å; V219-L247 HydrophobicContact CG2-CD1 3.75Å
220	Y	98.4	Very high	97.3	Very high	73 Å²	73	43.4 Å²	43.4	29%	0.286	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128.3	172.2	-59	-92.4	0	0	0	109	I150 I151 R153 I218 L243 K244	I150-Y220 WeakPolarHBondContact CA-O 3.43Å; I151-Y220 PolarHBondContact N-O 2.97Å; I151-Y220 PolarHBondContact O-N 3.23Å; R153-Y220 HydrophobicContact CG-CE2 4.37Å; I218-Y220 HydrophobicContact CB-CE2 4.37Å; I218-Y220 HydrophobicContact CG2-CD2 4.25Å; I218-Y220 HydrophobicContact CG2-CE1 4.5Å; I218-Y220 HydrophobicContact CG2-CE2 3.61Å; Y220-L243 WeakPolarHBondContact CA-O 3.4Å; Y220-K244 HydrophobicContact CD1-CB 4.09Å; Y220-K244 HydrophobicContact CD1-CG 4.07Å; Y220-K244 HydrophobicContact CE1-CB 4.17Å; Y220-K244 HydrophobicContact CE1-CD 3.75Å; Y220-K244 HydrophobicContact CE1-CG 3.77Å
221	L	98.5	Very high	97.3	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.016	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.6	-177.3	-60.3	178.9	0	0	0	109.8	I150 P201 L204 V219 A226 E242 L243 Y245	I150-L221 HydrophobicContact CB-CD2 4.28Å; I150-L221 HydrophobicContact CG1-CD2 3.98Å; I150-L221 HydrophobicContact CG2-CD2 3.9Å; P201-L221 HydrophobicContact CB-CD1 3.99Å; P201-L221 HydrophobicContact CG-CD1 4.23Å; L204-L221 HydrophobicContact CB-CD1 4.3Å; L204-L221 HydrophobicContact CD1-CD1 4.47Å; V219-L221 HydrophobicContact CG1-CD2 3.69Å; V219-L221 HydrophobicContact CG1-CG 4.14Å; L221-A226 HydrophobicContact CB-CB 4.23Å; L221-E242 WeakPolarHBondContact O-CA 3.48Å; L221-L243 PolarHBondContact N-O 3.24Å; L221-L243 PolarHBondContact O-N 2.94Å; L221-Y245 HydrophobicContact CD1-CD2 4.08Å; L221-Y245 HydrophobicContact CD1-CE2 4.21Å
222	K	98.1	Very high	97.3	Very high	83 Å²	83	40.8 Å²	40.8	36%	0.361	22%	0.224	S	C	.	.			trans	-66.6	162.8	167	-80.4	-169.6	-176.2	167.8	0	111.3	D147 G148 G149 S224 Y225 A226	D147-K222 PolarHBondContact O-NZ 2.61Å; G148-K222 WeakPolarHBondContact O-CD 3.43Å; G148-K222 WeakPolarHBondContact O-CE 3.11Å; G149-K222 PolarHBondContact O-N 3.4Å; K222-S224 VanDerWaalsContact C-N 3.27Å; K222-S224 PolarHBondContact O-N 2.8Å; K222-S224 VanDerWaalsContact O-N 3.16Å; K222-Y225 CarbonylContact O-C 3.57Å; K222-Y225 PolarHBondContact O-N 3.31Å; K222-A226 WeakPolarHBondContact O-CB 3.46Å; K222-A226 PolarHBondContact O-N 2.91Å
223	P	97.4	Very high	97.3	Very high	32 Å²	32	47.8 Å²	47.8	21%	0.208	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-49.9	-44.1	-178.6	-34.9	43.3	0	0	0	114.5	Y225 A226 G228 N240 E242	P223-Y225 PolarHBondContact O-N 3.42Å; P223-A226 PolarHBondContact O-N 3Å; P223-G228 WeakPolarHBondContact O-CA 3.19Å; P223-G228 PolarHBondContact O-N 2.95Å; P223-G228 VanDerWaalsContact O-N 3.09Å; P223-N240 HydrophobicContact CB-CB 4.01Å; P223-N240 HydrophobicContact CG-CB 4.38Å; P223-N240 VanDerWaalsContact CG-O 3.29Å; P223-N240 WeakPolarHBondContact CG-O 3.5Å; P223-E242 HydrophobicContact CG-CG 4.1Å
224	S	95.3	Very high	97.2	Very high	64 Å²	64	49 Å²	49	45%	0.448	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-59.8	-35.3	179.1	44.1	0	0	0	0	112.1	Y202 K222	Y202-S224 WeakPolarHBondContact CE1-O 3.44Å; Y202-S224 PolarHBondContact OH-O 3.01Å; K222-S224 VanDerWaalsContact C-N 3.27Å; K222-S224 PolarHBondContact O-N 2.8Å; K222-S224 VanDerWaalsContact O-N 3.16Å
225	Y	97.1	Very high	97.2	Very high	39 Å²	39	49.2 Å²	49.2	15%	0.153	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-94.6	-8.6	-178.3	-66.6	-90.4	0	0	0	114.8	T143 D147 G149 I150 Y202 G203 K222 P223	T143-Y225 HydrophobicContact CG2-CE1 4.02Å; T143-Y225 HydrophobicContact CG2-CE2 4.18Å; D147-Y225 WeakPolarHBondContact OD2-CE2 3.3Å; D147-Y225 PolarHBondContact OD2-OH 3.2Å; G149-Y225 VanDerWaalsContact CA-CE2 3.49Å; I150-Y225 HydrophobicContact CD1-CD1 3.52Å; I150-Y225 HydrophobicContact CD1-CE1 3.93Å; I150-Y225 HydrophobicContact CD1-CG 4.27Å; I150-Y225 HydrophobicContact CG1-CD1 3.46Å; I150-Y225 VanDerWaalsContact CG1-CD1 3.46Å; I150-Y225 HydrophobicContact CG1-CD2 4.45Å; I150-Y225 HydrophobicContact CG1-CE1 4.05Å; I150-Y225 HydrophobicContact CG1-CG 3.7Å; Y202-Y225 HydrophobicContact CD2-CD1 4.35Å; Y202-Y225 AromaticContact CE2-CD1 3.25Å; Y202-Y225 HydrophobicContact CE2-CD1 3.25Å; Y202-Y225 AromaticContact CE2-CE1 3.72Å; Y202-Y225 HydrophobicContact CE2-CE1 3.72Å; Y202-Y225 HydrophobicContact CE2-CG 4.15Å; Y202-Y225 VanDerWaalsContact CZ-CA 3.49Å; Y202-Y225 AromaticContact CZ-CD1 3.38Å; Y202-Y225 AromaticContact CZ-CE1 3.94Å; Y202-Y225 AromaticContact CZ-CG 3.86Å; Y202-Y225 WeakPolarHBondContact OH-CA 3.34Å; Y202-Y225 WeakPolarHBondContact OH-CD1 3.23Å; Y202-Y225 VanDerWaalsContact OH-CE1 3.32Å; Y202-Y225 WeakPolarHBondContact OH-CE1 3.47Å; Y202-Y225 VanDerWaalsContact OH-CG 3.29Å; G203-Y225 WeakPolarHBondContact CA-O 3.48Å; G203-Y225 PolarHBondContact N-O 3.05Å; K222-Y225 CarbonylContact O-C 3.57Å; K222-Y225 PolarHBondContact O-N 3.31Å; P223-Y225 PolarHBondContact O-N 3.42Å
226	A	97.7	Very high	97.1	Very high	6 Å²	6	56.3 Å²	56.3	5%	0.05	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-133.3	177.2	0	0	0	0	0	111	L221 K222 P223 G228 A241 L243	L221-A226 HydrophobicContact CB-CB 4.23Å; K222-A226 WeakPolarHBondContact O-CB 3.46Å; K222-A226 PolarHBondContact O-N 2.91Å; P223-A226 PolarHBondContact O-N 3Å; A226-G228 VanDerWaalsContact C-N 3.31Å; A226-A241 WeakPolarHBondContact CB-O 3.32Å; A226-L243 HydrophobicContact CB-CD1 3.79Å; A226-L243 HydrophobicContact CB-CG 4Å
227	F	97	Very high	97.1	Very high	32 Å²	32	53.1 Å²	53.1	14%	0.14	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	10	175	-62.7	-63	0	0	0	113.7	F183 D199 P201 G231 K232 F235 I237 L243	F183-F227 HydrophobicContact CE2-CE2 4.47Å; D199-F227 VanDerWaalsContact O-CZ 3.29Å; D199-F227 WeakPolarHBondContact O-CZ 3.48Å; P201-F227 HydrophobicContact CG-CD1 4.22Å; P201-F227 HydrophobicContact CG-CD2 4.38Å; P201-F227 HydrophobicContact CG-CE1 3.78Å; P201-F227 HydrophobicContact CG-CE2 3.95Å; P201-F227 HydrophobicContact CG-CZ 3.63Å; F227-G231 PolarHBondContact O-N 2.91Å; F227-G231 VanDerWaalsContact O-N 3.17Å; F227-K232 HydrophobicContact CB-CB 4.24Å; F227-K232 HydrophobicContact CD1-CB 4.05Å; F227-K232 HydrophobicContact CD1-CD 3.95Å; F227-K232 HydrophobicContact CD1-CG 4.21Å; F227-K232 HydrophobicContact CD2-CB 3.55Å; F227-K232 HydrophobicContact CD2-CG 4.28Å; F227-K232 HydrophobicContact CE1-CB 4.28Å; F227-K232 HydrophobicContact CE1-CD 3.9Å; F227-K232 HydrophobicContact CE1-CG 4.03Å; F227-K232 HydrophobicContact CE2-CB 3.82Å; F227-K232 HydrophobicContact CE2-CG 4.12Å; F227-K232 HydrophobicContact CG-CB 3.69Å; F227-K232 HydrophobicContact CG-CD 4.45Å; F227-K232 HydrophobicContact CG-CG 4.33Å; F227-K232 HydrophobicContact CZ-CB 4.16Å; F227-K232 HydrophobicContact CZ-CD 4.36Å; F227-K232 HydrophobicContact CZ-CG 3.98Å; F227-F235 HydrophobicContact CE2-CD2 4.25Å; F227-F235 HydrophobicContact CZ-CD2 4.2Å; F227-F235 HydrophobicContact CZ-CE2 4.29Å; F227-I237 HydrophobicContact CD2-CB 4.46Å; F227-I237 HydrophobicContact CD2-CD1 3.74Å; F227-I237 HydrophobicContact CD2-CG2 4.15Å; F227-I237 HydrophobicContact CE2-CD1 3.51Å; F227-L243 HydrophobicContact CD2-CD1 3.64Å; F227-L243 HydrophobicContact CE2-CD1 3.68Å
228	G	94.5	Very high	97.1	Very high	18 Å²	18	55.4 Å²	55.4	19%	0.186	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	-153.7	171.2	0	0	0	0	0	114.8	P223 A226 V230 G231 N240	P223-G228 WeakPolarHBondContact O-CA 3.19Å; P223-G228 PolarHBondContact O-N 2.95Å; P223-G228 VanDerWaalsContact O-N 3.09Å; A226-G228 VanDerWaalsContact C-N 3.31Å; G228-V230 PolarHBondContact O-N 3.09Å; G228-G231 PolarHBondContact O-N 2.88Å; G228-N240 PolarHBondContact O-N 2.9Å
229	S	95.6	Very high	97.1	Very high	89 Å²	89	58.9 Å²	58.9	62%	0.622	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-6.1	-177.6	60.4	0	0	0	0	114.6	P239 N240	S229-P239 VanDerWaalsContact O-CB 3.3Å; S229-P239 WeakPolarHBondContact O-CB 2.91Å; S229-N240 WeakPolarHBondContact CA-OD1 3.41Å
230	V	95.9	Very high	97	Very high	123 Å²	123	63.7 Å²	63.7	75%	0.745	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-35.5	178.7	-177.5	0	0	0	0	110.6	G228	G228-V230 PolarHBondContact O-N 3.09Å
231	G	96.3	Very high	97	Very high	8 Å²	8	60.5 Å²	60.5	8%	0.082	33%	0.328	C	S	.	.			trans	73.2	-164.1	-170.2	0	0	0	0	0	112	F227 G228 I237	F227-G231 PolarHBondContact O-N 2.91Å; F227-G231 VanDerWaalsContact O-N 3.17Å; G228-G231 PolarHBondContact O-N 2.88Å; G231-I237 WeakPolarHBondContact CA-O 3.37Å
232	K	97.4	Very high	97	Very high	48 Å²	48	66.5 Å²	66.5	21%	0.209	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-141.5	93.8	-179.4	-161	70.2	171.5	-177.6	0	110.9	D199 F227 K234 F235 Q236 I237	D199-K232 WeakPolarHBondContact OD1-CE 3.29Å; D199-K232 IonicContact OD1-NZ 3.88Å; D199-K232 PolarHBondContact OD1-NZ 2.97Å; F227-K232 HydrophobicContact CB-CB 4.24Å; F227-K232 HydrophobicContact CD1-CB 4.05Å; F227-K232 HydrophobicContact CD1-CD 3.95Å; F227-K232 HydrophobicContact CD1-CG 4.21Å; F227-K232 HydrophobicContact CD2-CB 3.55Å; F227-K232 HydrophobicContact CD2-CG 4.28Å; F227-K232 HydrophobicContact CE1-CB 4.28Å; F227-K232 HydrophobicContact CE1-CD 3.9Å; F227-K232 HydrophobicContact CE1-CG 4.03Å; F227-K232 HydrophobicContact CE2-CB 3.82Å; F227-K232 HydrophobicContact CE2-CG 4.12Å; F227-K232 HydrophobicContact CG-CB 3.69Å; F227-K232 HydrophobicContact CG-CD 4.45Å; F227-K232 HydrophobicContact CG-CG 4.33Å; F227-K232 HydrophobicContact CZ-CB 4.16Å; F227-K232 HydrophobicContact CZ-CD 4.36Å; F227-K232 HydrophobicContact CZ-CG 3.98Å; K232-K234 VanDerWaalsContact C-N 3.28Å; K232-K234 PolarHBondContact O-N 3.12Å; K232-F235 HydrophobicContact CB-CD2 4.37Å; K232-F235 HydrophobicContact CG-CD2 3.71Å; K232-F235 HydrophobicContact CG-CE2 4.31Å; K232-F235 HydrophobicContact CG-CG 4.38Å; K232-F235 CarbonylContact O-C 3.5Å; K232-F235 PolarHBondContact O-N 3.01Å; K232-Q236 PolarHBondContact O-N 2.76Å; K232-Q236 VanDerWaalsContact O-N 3.12Å; K232-I237 HydrophobicContact CB-CB 4.17Å; K232-I237 HydrophobicContact CB-CD1 4.47Å; K232-I237 PolarHBondContact N-O 3.09Å; K232-I237 PolarHBondContact O-N 3.09Å
233	E	96.8	Very high	97.1	Very high	178 Å²	178	62.9 Å²	62.9	83%	0.832	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-54.7	-40.7	-176.3	-175.8	179.4	-170	0	0	113.2	F235 Q236	E233-F235 PolarHBondContact O-N 2.92Å; E233-F235 VanDerWaalsContact O-N 3.14Å; E233-Q236 PolarHBondContact O-N 2.8Å; E233-Q236 PolarHBondContact O-NE2 2.67Å
234	K	96.7	Very high	97.1	Very high	130 Å²	130	63.2 Å²	63.2	57%	0.565	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-53.3	-35	177.2	-179.8	179.2	172.1	-177.1	0	112.9	D199 K232 Q236	D199-K234 WeakPolarHBondContact OD2-CD 3.44Å; D199-K234 IonicContact OD2-NZ 3.81Å; D199-K234 PolarHBondContact OD2-NZ 3.14Å; K232-K234 VanDerWaalsContact C-N 3.28Å; K232-K234 PolarHBondContact O-N 3.12Å; K234-Q236 PolarHBondContact O-NE2 2.75Å
235	F	97.1	Very high	97.3	Very high	26 Å²	26	60.1 Å²	60.1	11%	0.114	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-104.5	8.3	179.5	-58.7	-39	0	0	0	112.8	F183 D184 D199 F227 K232 E233 I237	F183-F235 HydrophobicContact CB-CB 4.3Å; F183-F235 HydrophobicContact CD2-CB 3.7Å; F183-F235 HydrophobicContact CD2-CD1 4.13Å; F183-F235 AromaticContact CD2-CD2 3.65Å; F183-F235 HydrophobicContact CD2-CD2 3.65Å; F183-F235 HydrophobicContact CD2-CE2 4.26Å; F183-F235 AromaticContact CD2-CG 3.59Å; F183-F235 HydrophobicContact CD2-CG 3.59Å; F183-F235 HydrophobicContact CE2-CB 4.42Å; F183-F235 AromaticContact CE2-CD2 3.71Å; F183-F235 HydrophobicContact CE2-CD2 3.71Å; F183-F235 HydrophobicContact CE2-CE2 4.13Å; F183-F235 HydrophobicContact CE2-CG 4.14Å; F183-F235 HydrophobicContact CG-CB 4.23Å; D184-F235 HydrophobicContact CB-CZ 4.41Å; D199-F235 HydrophobicContact CB-CE2 3.65Å; D199-F235 HydrophobicContact CB-CZ 3.81Å; F227-F235 HydrophobicContact CE2-CD2 4.25Å; F227-F235 HydrophobicContact CZ-CD2 4.2Å; F227-F235 HydrophobicContact CZ-CE2 4.29Å; K232-F235 HydrophobicContact CB-CD2 4.37Å; K232-F235 HydrophobicContact CG-CD2 3.71Å; K232-F235 HydrophobicContact CG-CE2 4.31Å; K232-F235 HydrophobicContact CG-CG 4.38Å; K232-F235 CarbonylContact O-C 3.5Å; K232-F235 PolarHBondContact O-N 3.01Å; E233-F235 PolarHBondContact O-N 2.92Å; E233-F235 VanDerWaalsContact O-N 3.14Å; F235-I237 HydrophobicContact CB-CD1 3.72Å; F235-I237 HydrophobicContact CB-CG1 3.9Å; F235-I237 HydrophobicContact CD2-CD1 4.26Å; F235-I237 HydrophobicContact CG-CD1 4.48Å; F235-I237 PolarHBondContact O-N 3.24Å; F235-I237 VanDerWaalsContact O-N 3.17Å
236	Q	97.2	Very high	97.3	Very high	151 Å²	151	60.3 Å²	60.3	71%	0.706	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	31.2	-175.5	-61.8	74.2	63.5	0	0	112.9	K232 E233 K234	K232-Q236 PolarHBondContact O-N 2.76Å; K232-Q236 VanDerWaalsContact O-N 3.12Å; E233-Q236 PolarHBondContact O-N 2.8Å; E233-Q236 PolarHBondContact O-NE2 2.67Å; K234-Q236 PolarHBondContact O-NE2 2.75Å
237	I	98.1	Very high	97.4	Very high	6 Å²	6	60.3 Å²	60.3	3%	0.031	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-87.4	121.3	177.5	-65.5	169.1	0	0	0	108.5	F183 F227 G231 K232 F235 A241 L243	F183-I237 HydrophobicContact CD1-CD1 4.02Å; F183-I237 HydrophobicContact CD2-CD1 3.84Å; F183-I237 HydrophobicContact CE1-CD1 3.81Å; F183-I237 HydrophobicContact CE2-CD1 3.64Å; F183-I237 HydrophobicContact CG-CD1 4.03Å; F183-I237 HydrophobicContact CZ-CD1 3.62Å; F227-I237 HydrophobicContact CD2-CB 4.46Å; F227-I237 HydrophobicContact CD2-CD1 3.74Å; F227-I237 HydrophobicContact CD2-CG2 4.15Å; F227-I237 HydrophobicContact CE2-CD1 3.51Å; G231-I237 WeakPolarHBondContact CA-O 3.37Å; K232-I237 HydrophobicContact CB-CB 4.17Å; K232-I237 HydrophobicContact CB-CD1 4.47Å; K232-I237 PolarHBondContact N-O 3.09Å; K232-I237 PolarHBondContact O-N 3.09Å; F235-I237 HydrophobicContact CB-CD1 3.72Å; F235-I237 HydrophobicContact CB-CG1 3.9Å; F235-I237 HydrophobicContact CD2-CD1 4.26Å; F235-I237 HydrophobicContact CG-CD1 4.48Å; F235-I237 PolarHBondContact O-N 3.24Å; F235-I237 VanDerWaalsContact O-N 3.17Å; I237-A241 HydrophobicContact CG2-CB 3.45Å; I237-A241 VanDerWaalsContact CG2-CB 3.45Å; I237-L243 HydrophobicContact CD1-CD1 4.34Å; I237-L243 HydrophobicContact CD1-CD2 3.86Å; I237-L243 HydrophobicContact CG1-CD2 4.39Å; I237-L243 HydrophobicContact CG2-CD2 4.18Å
238	P	98	Very high	97.4	Very high	51 Å²	51	61 Å²	61	33%	0.331	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-74	166.7	179.8	31.4	-35	0	0	0	112	Y178 A241	Y178-P238 HydrophobicContact CE1-CG 4.21Å; Y178-P238 VanDerWaalsContact OH-CG 3.27Å; Y178-P238 WeakPolarHBondContact OH-CG 3.45Å; P238-A241 HydrophobicContact CG-CB 4.34Å; P238-A241 WeakPolarHBondContact O-CB 3.29Å
239	P	98.1	Very high	97.6	Very high	76 Å²	76	60.1 Å²	60.1	49%	0.494	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	142	165.8	-32.5	39.3	0	0	0	113.2	S229 A241	S229-P239 VanDerWaalsContact O-CB 3.3Å; S229-P239 WeakPolarHBondContact O-CB 2.91Å; P239-A241 VanDerWaalsContact C-N 3.27Å; P239-A241 PolarHBondContact O-N 3.31Å
240	N	96.9	Very high	97.8	Very high	101 Å²	101	59 Å²	59	54%	0.54	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	35.8	175.7	-54.8	-48.5	0	0	0	114.9	P223 G228 S229	P223-N240 HydrophobicContact CB-CB 4.01Å; P223-N240 HydrophobicContact CG-CB 4.38Å; P223-N240 VanDerWaalsContact CG-O 3.29Å; P223-N240 WeakPolarHBondContact CG-O 3.5Å; G228-N240 PolarHBondContact O-N 2.9Å; S229-N240 WeakPolarHBondContact CA-OD1 3.41Å
241	A	97.9	Very high	97.9	Very high	7 Å²	7	54.7 Å²	54.7	6%	0.058	27%	0.273	C	S	.	.			trans	-79.5	137.9	175.4	0	0	0	0	0	112.3	Y178 A226 I237 P238 P239	Y178-A241 HydrophobicContact CD2-CB 3.92Å; Y178-A241 HydrophobicContact CE2-CB 3.5Å; Y178-A241 VanDerWaalsContact CE2-CB 3.5Å; A226-A241 WeakPolarHBondContact CB-O 3.32Å; I237-A241 HydrophobicContact CG2-CB 3.45Å; I237-A241 VanDerWaalsContact CG2-CB 3.45Å; P238-A241 HydrophobicContact CG-CB 4.34Å; P238-A241 WeakPolarHBondContact O-CB 3.29Å; P239-A241 VanDerWaalsContact C-N 3.27Å; P239-A241 PolarHBondContact O-N 3.31Å
242	E	98.5	Very high	98	Very high	129 Å²	129	56.3 Å²	56.3	60%	0.603	28%	0.277	S	S	*	.			trans	-80.5	141.2	163.1	-71.7	178.3	-176.3	0	0	110.2	Y178 L221 P223	Y178-E242 WeakPolarHBondContact CD2-O 3.47Å; L221-E242 WeakPolarHBondContact O-CA 3.48Å; P223-E242 HydrophobicContact CG-CG 4.1Å
243	L	98.6	Very high	97.9	Very high	6 Å²	6	60.2 Å²	60.2	3%	0.031	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	149.6	-177.9	-57.7	176.8	0	0	0	110.9	Y178 F183 P201 Y220 L221 A226 F227 I237 Y245	Y178-L243 HydrophobicContact CD2-CD2 4.01Å; Y178-L243 HydrophobicContact CG-CD2 4.36Å; F183-L243 HydrophobicContact CE1-CD2 3.86Å; F183-L243 HydrophobicContact CZ-CD1 4.25Å; F183-L243 HydrophobicContact CZ-CD2 4.22Å; P201-L243 HydrophobicContact CG-CD1 4.06Å; Y220-L243 WeakPolarHBondContact CA-O 3.4Å; L221-L243 PolarHBondContact N-O 3.24Å; L221-L243 PolarHBondContact O-N 2.94Å; A226-L243 HydrophobicContact CB-CD1 3.79Å; A226-L243 HydrophobicContact CB-CG 4Å; F227-L243 HydrophobicContact CD2-CD1 3.64Å; F227-L243 HydrophobicContact CE2-CD1 3.68Å; I237-L243 HydrophobicContact CD1-CD1 4.34Å; I237-L243 HydrophobicContact CD1-CD2 3.86Å; I237-L243 HydrophobicContact CG1-CD2 4.39Å; I237-L243 HydrophobicContact CG2-CD2 4.18Å; L243-Y245 HydrophobicContact CB-CD2 4.36Å; L243-Y245 HydrophobicContact CB-CE2 4.09Å; L243-Y245 HydrophobicContact CD1-CE2 4.07Å
244	K	98.6	Very high	97.7	Very high	39 Å²	39	56.7 Å²	56.7	17%	0.17	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.5	170.2	177	-174	76.1	-171.3	0	108.2	Y177 D180 I218 V219 Y220	Y177-K244 PolarHBondContact N-O 2.82Å; Y177-K244 PolarHBondContact O-N 3.44Å; D180-K244 IonicContact OD1-NZ 3.87Å; D180-K244 PolarHBondContact OD1-NZ 3.46Å; I218-K244 HydrophobicContact CG2-CD 4.21Å; I218-K244 HydrophobicContact CG2-CG 3.81Å; V219-K244 CarbonylContact O-C 3.53Å; V219-K244 WeakPolarHBondContact O-CA 3.32Å; Y220-K244 HydrophobicContact CD1-CB 4.09Å; Y220-K244 HydrophobicContact CD1-CG 4.07Å; Y220-K244 HydrophobicContact CE1-CB 4.17Å; Y220-K244 HydrophobicContact CE1-CD 3.75Å; Y220-K244 HydrophobicContact CE1-CG 3.77Å
245	Y	98.6	Very high	97.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.9	172.3	-81.3	-92.6	0	0	0	110.6	L174 E175 G176 F183 P201 L204 I218 V219 L221 L243	L174-Y245 HydrophobicContact CD1-CD1 4.47Å; L174-Y245 HydrophobicContact CD1-CE1 4.18Å; E175-Y245 CarbonylContact O-C 3.57Å; E175-Y245 WeakPolarHBondContact O-CA 3.43Å; E175-Y245 WeakPolarHBondContact O-CD1 3.28Å; G176-Y245 VanDerWaalsContact CA-CD1 3.46Å; G176-Y245 VanDerWaalsContact CA-CE1 3.44Å; F183-Y245 WeakPolarHBondContact CE2-OH 3.4Å; F183-Y245 HydrophobicContact CZ-CE1 4.34Å; F183-Y245 HydrophobicContact CZ-CE2 4.13Å; F183-Y245 AromaticContact CZ-CZ 3.67Å; F183-Y245 VanDerWaalsContact CZ-OH 3.27Å; F183-Y245 WeakPolarHBondContact CZ-OH 3.47Å; P201-Y245 WeakPolarHBondContact CD-OH 3.28Å; P201-Y245 HydrophobicContact CG-CE2 4.05Å; L204-Y245 HydrophobicContact CD1-CD1 3.93Å; L204-Y245 HydrophobicContact CD1-CD2 3.71Å; L204-Y245 HydrophobicContact CD1-CE2 4.35Å; L204-Y245 HydrophobicContact CD1-CG 3.45Å; L204-Y245 VanDerWaalsContact CD1-CG 3.45Å; L204-Y245 HydrophobicContact CD2-CD1 3.86Å; L204-Y245 HydrophobicContact CD2-CE1 3.81Å; L204-Y245 HydrophobicContact CD2-CE2 4.46Å; L204-Y245 HydrophobicContact CD2-CG 4.21Å; L204-Y245 HydrophobicContact CG-CG 4.48Å; I218-Y245 CarbonylContact C-O 3.56Å; I218-Y245 VanDerWaalsContact CA-O 3.29Å; I218-Y245 WeakPolarHBondContact CA-O 3.48Å; V219-Y245 PolarHBondContact N-O 3.18Å; V219-Y245 PolarHBondContact O-N 2.96Å; L221-Y245 HydrophobicContact CD1-CD2 4.08Å; L221-Y245 HydrophobicContact CD1-CE2 4.21Å; L243-Y245 HydrophobicContact CB-CD2 4.36Å; L243-Y245 HydrophobicContact CB-CE2 4.09Å; L243-Y245 HydrophobicContact CD1-CE2 4.07Å
246	E	98.6	Very high	96.7	Very high	43 Å²	43	54.9 Å²	54.9	20%	0.201	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.4	160.9	-56.8	-160.8	177.4	0	0	108.1	R155 L174 E175 Y177 I218	R155-E246 IonicContact CZ-OE1 2.75Å; R155-E246 IonicContact CZ-OE2 3.71Å; R155-E246 IonicContact NH1-OE1 3.05Å; R155-E246 PolarHBondContact NH1-OE1 3.48Å; R155-E246 IonicContact NH1-OE2 2.67Å; R155-E246 PolarHBondContact NH1-OE2 3.05Å; R155-E246 IonicContact NH2-OE1 3.52Å; R155-E246 PolarHBondContact NH2-OE1 3.02Å; R155-E246 IonicContact NH2-OE2 2.78Å; L174-E246 CarbonylContact C-O 3.59Å; L174-E246 WeakPolarHBondContact CA-O 3.43Å; E175-E246 HydrophobicContact CB-CB 4.37Å; E175-E246 PolarHBondContact N-O 3.44Å; E175-E246 PolarHBondContact O-N 3.31Å; Y177-E246 HydrophobicContact CE2-CG 4.09Å; I218-E246 HydrophobicContact CG1-CG 4.36Å
247	L	98.3	Very high	96	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	141.9	-173.7	-66.6	177.3	0	0	0	110.7	A173 L174 L204 I208 M211 H216 S217 V219	A173-L247 WeakPolarHBondContact O-CA 3.46Å; L174-L247 HydrophobicContact CB-CD2 3.54Å; L204-L247 HydrophobicContact CD1-CD1 3.69Å; L204-L247 HydrophobicContact CD1-CD2 4.01Å; L204-L247 HydrophobicContact CD1-CG 4.14Å; L204-L247 HydrophobicContact CD2-CD2 4.4Å; L204-L247 HydrophobicContact CG-CD1 4.31Å; L204-L247 HydrophobicContact CG-CD2 4.36Å; I208-L247 HydrophobicContact CG1-CD1 4.06Å; M211-L247 HydrophobicContact CE-CB 4.05Å; M211-L247 HydrophobicContact SD-CB 4.14Å; M211-L247 HydrophobicContact SD-CD1 3.93Å; H216-L247 CarbonylContact C-O 3.46Å; H216-L247 VanDerWaalsContact CA-O 3.28Å; H216-L247 WeakPolarHBondContact CA-O 3.3Å; S217-L247 PolarHBondContact N-O 3.29Å; S217-L247 PolarHBondContact O-N 3.03Å; V219-L247 HydrophobicContact CG2-CD1 3.75Å
248	H	98.6	Very high	95.2	Very high	46 Å²	46	51.9 Å²	51.9	21%	0.213	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	110.7	165.3	173.3	-161	0	0	0	108.8	V172 A173 E215 H216 K250	V172-H248 VanDerWaalsContact CA-O 3.28Å; V172-H248 WeakPolarHBondContact CA-O 3.45Å; A173-H248 HydrophobicContact CB-CB 4.26Å; A173-H248 PolarHBondContact N-O 2.91Å; A173-H248 PolarHBondContact O-N 2.99Å; E215-H248 WeakPolarHBondContact O-CA 3.28Å; H216-H248 AromaticContact CD2-CD2 3.48Å; H216-H248 PolarHBondContact CD2-CD2 2.69Å; H216-H248 VanDerWaalsContact CD2-CD2 3.48Å; H216-H248 AromaticContact CD2-CG 3.83Å; H216-H248 AromaticContact CD2-NE2 3.92Å; H216-H248 AromaticContact CE1-CD2 3.7Å; H216-H248 AromaticContact CE1-CE1 3.79Å; H216-H248 AromaticContact CE1-CG 3.26Å; H216-H248 AromaticContact CE1-ND1 3.35Å; H216-H248 PolarHBondContact CE1-ND1 3.41Å; H216-H248 VanDerWaalsContact CE1-ND1 3.35Å; H216-H248 AromaticContact ND1-CG 3.77Å; H216-H248 AromaticContact NE2-CD2 3.23Å; H216-H248 PolarHBondContact NE2-CD2 3.04Å; H216-H248 AromaticContact NE2-CE1 3.38Å; H216-H248 PolarHBondContact NE2-CE1 3.24Å; H216-H248 AromaticContact NE2-CG 3.3Å; H216-H248 VanDerWaalsContact NE2-CG 3.3Å; H216-H248 AromaticContact NE2-ND1 3.41Å; H216-H248 PolarHBondContact NE2-ND1 3.35Å; H216-H248 AromaticContact NE2-NE2 3.35Å; H216-H248 PolarHBondContact NE2-NE2 3.5Å; H248-K250 PolarHBondContact O-N 2.86Å
249	L	98.5	Very high	94.5	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	93.6	174.2	178.2	57.2	0	0	0	109.3	P164 V170 V172 I208 M211 G214 E215 F252	P164-L249 HydrophobicContact CG-CD2 3.82Å; V170-L249 HydrophobicContact CB-CD1 4.1Å; V170-L249 HydrophobicContact CG1-CD1 4.32Å; V172-L249 HydrophobicContact CG1-CD1 3.8Å; I208-L249 HydrophobicContact CG2-CD1 4.27Å; M211-L249 HydrophobicContact CB-CB 4.28Å; M211-L249 HydrophobicContact CB-CD2 3.63Å; M211-L249 HydrophobicContact CE-CB 3.91Å; M211-L249 HydrophobicContact SD-CB 4.36Å; G214-L249 VanDerWaalsContact CA-O 3.3Å; G214-L249 WeakPolarHBondContact CA-O 3.36Å; G214-L249 PolarHBondContact N-O 3.38Å; E215-L249 PolarHBondContact O-N 2.97Å; L249-F252 HydrophobicContact CD1-CB 4.49Å; L249-F252 HydrophobicContact CD2-CD1 4.02Å; L249-F252 HydrophobicContact CD2-CE1 4.49Å; L249-F252 HydrophobicContact CG-CD1 4.44Å
250	K	98.3	Very high	93.9	Very high	66 Å²	66	60.2 Å²	60.2	29%	0.287	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	-49.8	-175.5	-61.6	-174.2	176	-168.5	0	112	E171 E187 H248	E171-K250 HydrophobicContact CB-CB 4.32Å; E171-K250 WeakPolarHBondContact O-CB 3.32Å; E171-K250 PolarHBondContact O-N 3.35Å; E187-K250 IonicContact OE1-NZ 2.94Å; E187-K250 PolarHBondContact OE1-NZ 2.89Å; E187-K250 IonicContact OE2-NZ 2.83Å; E187-K250 PolarHBondContact OE2-NZ 3.23Å; H248-K250 PolarHBondContact O-N 2.86Å
251	S	98.2	Very high	93.4	Very high	33 Å²	33	55.9 Å²	55.9	23%	0.231	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	159.8	-176.2	82.8	0	0	0	0	110.5	E171	E171-S251 WeakPolarHBondContact CB-OG 3.43Å; E171-S251 VanDerWaalsContact CD-OG 3.22Å; E171-S251 PolarHBondContact N-O 3.23Å; E171-S251 PolarHBondContact O-N 3.48Å; E171-S251 PolarHBondContact OE2-OG 3.32Å
252	F	98	Very high	93.1	Very high	41 Å²	41	59.5 Å²	59.5	18%	0.18	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	158.2	168.3	69.2	-86	0	0	0	111.5	A162 K163 P164 I169 V170 K213 L249 K254	A162-F252 VanDerWaalsContact C-CZ 3.48Å; A162-F252 HydrophobicContact CB-CE2 4.38Å; A162-F252 HydrophobicContact CB-CZ 3.8Å; A162-F252 VanDerWaalsContact O-CZ 3.32Å; A162-F252 WeakPolarHBondContact O-CZ 3.45Å; K163-F252 VanDerWaalsContact C-CE2 3.48Å; P164-F252 HydrophobicContact CB-CB 4.48Å; P164-F252 HydrophobicContact CB-CD2 4.09Å; P164-F252 HydrophobicContact CB-CG 4.27Å; P164-F252 HydrophobicContact CG-CB 4.03Å; P164-F252 HydrophobicContact CG-CD1 3.91Å; P164-F252 HydrophobicContact CG-CD2 3.88Å; P164-F252 HydrophobicContact CG-CE1 4.35Å; P164-F252 HydrophobicContact CG-CE2 4.33Å; P164-F252 HydrophobicContact CG-CG 3.67Å; I169-F252 CarbonylContact O-C 3.35Å; I169-F252 WeakPolarHBondContact O-CA 3.45Å; I169-F252 WeakPolarHBondContact O-CB 3.32Å; V170-F252 HydrophobicContact CB-CB 4.39Å; V170-F252 HydrophobicContact CG1-CB 3.84Å; K213-F252 HydrophobicContact CB-CD1 4.36Å; K213-F252 HydrophobicContact CB-CE1 3.99Å; L249-F252 HydrophobicContact CD1-CB 4.49Å; L249-F252 HydrophobicContact CD2-CD1 4.02Å; L249-F252 HydrophobicContact CD2-CE1 4.49Å; L249-F252 HydrophobicContact CG-CD1 4.44Å; F252-K254 HydrophobicContact CD2-CG 4.09Å; F252-K254 HydrophobicContact CE2-CD 4.42Å; F252-K254 HydrophobicContact CE2-CG 3.69Å
253	E	95.5	Very high	92.7	Very high	131 Å²	131	54.2 Å²	54.2	61%	0.612	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.4	119.1	170.7	-175.1	-176.3	176.2	0	0	107.9	A168 I169	A168-E253 CarbonylContact C-O 3.55Å; A168-E253 VanDerWaalsContact CA-O 3.28Å; A168-E253 WeakPolarHBondContact CA-O 3.43Å; A168-E253 WeakPolarHBondContact CB-O 3.31Å; I169-E253 PolarHBondContact N-O 3.09Å; I169-E253 PolarHBondContact O-N 3.18Å
254	K	93.3	Very high	92.2	Very high	103 Å²	103	60.7 Å²	60.7	45%	0.448	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-64	143.2	179.9	-67.8	-170.3	72.5	-166.9	0	110.7	N165 F252	N165-K254 WeakPolarHBondContact OD1-CA 3.41Å; N165-K254 WeakPolarHBondContact OD1-CB 3.3Å; F252-K254 HydrophobicContact CD2-CG 4.09Å; F252-K254 HydrophobicContact CE2-CD 4.42Å; F252-K254 HydrophobicContact CE2-CG 3.69Å
255	A	89.1	Confident	91.8	Very high	25 Å²	25	61.1 Å²	61.1	21%	0.207	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-69.1	138.1	163.8	0	0	0	0	0	108.7	N165 E166 G167	N165-A255 PolarHBondContact ND2-O 3.31Å; N165-A255 PolarHBondContact OD1-N 2.89Å; E166-A255 WeakPolarHBondContact O-CB 3.44Å; G167-A255 VanDerWaalsContact C-CB 3.44Å; G167-A255 WeakPolarHBondContact O-CB 3.37Å
256	K	84.6	Confident	91.5	Very high	93 Å²	93	61.7 Å²	61.7	40%	0.404	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-70.5	133.5	169	-69.2	-172.6	176.1	-179.5	0	109.2	M261 E265	K256-M261 HydrophobicContact CB-CE 4.3Å; K256-M261 HydrophobicContact CB-CG 3.66Å; K256-M261 HydrophobicContact CB-SD 3.92Å; K256-M261 HydrophobicContact CD-CG 3.64Å; K256-M261 HydrophobicContact CD-SD 4.33Å; K256-M261 HydrophobicContact CG-CG 4.31Å; K256-E265 IonicContact NZ-OE1 3.82Å; K256-E265 PolarHBondContact NZ-OE1 2.74Å; K256-E265 IonicContact NZ-OE2 2.67Å
257	E	81.6	Confident	91.2	Very high	62 Å²	62	60.5 Å²	60.5	29%	0.29	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-72.3	156.9	171.4	-62.2	-63.5	159	0	0	110.6	N165 W259 E260	N165-E257 PolarHBondContact ND2-OE1 2.7Å; E257-W259 HydrophobicContact CB-CD2 3.9Å; E257-W259 VanDerWaalsContact CB-CE2 3.47Å; E257-W259 HydrophobicContact CB-CE3 4.33Å; E257-W259 HydrophobicContact CB-CG 4.45Å; E257-W259 HydrophobicContact CB-CH2 4.01Å; E257-W259 HydrophobicContact CB-CZ2 3.55Å; E257-W259 HydrophobicContact CB-CZ3 4.37Å; E257-W259 HydrophobicContact CG-CH2 4.04Å; E257-W259 HydrophobicContact CG-CZ2 3.56Å; E257-W259 PolarHBondContact O-N 3.09Å; E257-W259 VanDerWaalsContact O-N 3.12Å; E257-E260 HydrophobicContact CB-CG 4.04Å; E257-E260 PolarHBondContact N-OE2 2.77Å; E257-E260 WeakPolarHBondContact O-CB 3.42Å; E257-E260 PolarHBondContact O-N 3.42Å
258	S	81.4	Confident	91	Very high	32 Å²	32	65.7 Å²	65.7	22%	0.224	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-34.3	-176.4	-170.1	0	0	0	0	113.1	K266	S258-K266 WeakPolarHBondContact O-CE 3.28Å; S258-K266 PolarHBondContact O-NZ 2.99Å
259	W	82.8	Confident	90.6	Very high	203 Å²	203	66.2 Å²	66.2	77%	0.769	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-14.8	178.6	59.1	74.2	0	0	0	114.1	E257 M261	E257-W259 HydrophobicContact CB-CD2 3.9Å; E257-W259 VanDerWaalsContact CB-CE2 3.47Å; E257-W259 HydrophobicContact CB-CE3 4.33Å; E257-W259 HydrophobicContact CB-CG 4.45Å; E257-W259 HydrophobicContact CB-CH2 4.01Å; E257-W259 HydrophobicContact CB-CZ2 3.55Å; E257-W259 HydrophobicContact CB-CZ3 4.37Å; E257-W259 HydrophobicContact CG-CH2 4.04Å; E257-W259 HydrophobicContact CG-CZ2 3.56Å; E257-W259 PolarHBondContact O-N 3.09Å; E257-W259 VanDerWaalsContact O-N 3.12Å; W259-M261 VanDerWaalsContact C-N 3.29Å
260	E	85.7	Confident	90.3	Very high	100 Å²	100	66.2 Å²	66.2	47%	0.467	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-15.9	176.7	-67.3	175.3	-167.1	0	0	111.8	E257	E257-E260 HydrophobicContact CB-CG 4.04Å; E257-E260 PolarHBondContact N-OE2 2.77Å; E257-E260 WeakPolarHBondContact O-CB 3.42Å; E257-E260 PolarHBondContact O-N 3.42Å
261	M	87.6	Confident	90.2	Very high	10 Å²	10	65.9 Å²	65.9	5%	0.049	32%	0.316	C	S	.	.	S	Bend	trans	-98.1	132.2	179.8	-66.4	-179.8	-76.1	0	0	111.4	K256 W259 E265 K266 Q269 W299	K256-M261 HydrophobicContact CB-CE 4.3Å; K256-M261 HydrophobicContact CB-CG 3.66Å; K256-M261 HydrophobicContact CB-SD 3.92Å; K256-M261 HydrophobicContact CD-CG 3.64Å; K256-M261 HydrophobicContact CD-SD 4.33Å; K256-M261 HydrophobicContact CG-CG 4.31Å; W259-M261 VanDerWaalsContact C-N 3.29Å; M261-E265 WeakPolarHBondContact CA-OE2 3.45Å; M261-E265 HydrophobicContact CB-CB 4.06Å; M261-E265 HydrophobicContact CG-CB 4.32Å; M261-K266 HydrophobicContact CB-CG 3.67Å; M261-K266 WeakPolarHBondContact O-CE 3.48Å; M261-Q269 HydrophobicContact SD-CB 4.15Å; M261-Q269 HydrophobicContact SD-CG 3.83Å; M261-W299 HydrophobicContact CE-CD2 3.96Å; M261-W299 HydrophobicContact CE-CG 4.05Å; M261-W299 HydrophobicContact CE-CZ2 4.11Å
262	N	90.3	Very high	89.8	Confident	83 Å²	83	66.9 Å²	66.9	44%	0.444	32%	0.318	S	S	.	.			trans	-76.5	173.7	166.5	69.7	50.6	0	0	0	111.5	E264 E265 K266	N262-E264 VanDerWaalsContact C-N 3.33Å; N262-E264 PolarHBondContact O-N 2.92Å; N262-E264 WeakPolarHBondContact OD1-CA 3.44Å; N262-E264 WeakPolarHBondContact OD1-CB 3.44Å; N262-E264 PolarHBondContact OD1-N 3.4Å; N262-E265 PolarHBondContact N-OE2 2.94Å; N262-E265 PolarHBondContact ND2-OE2 2.66Å; N262-E265 PolarHBondContact O-N 2.88Å; N262-E265 PolarHBondContact OD1-N 2.67Å; N262-K266 WeakPolarHBondContact O-CG 3.31Å; N262-K266 PolarHBondContact O-N 2.92Å
263	S	89.6	Confident	89.5	Confident	17 Å²	17	65 Å²	65	12%	0.119	31%	0.311	C	S	.	.	H	α-helix	trans	-55.3	-42.3	-178.8	-64.2	0	0	0	0	114.1	L267 S305	S263-L267 WeakPolarHBondContact O-CG 3.27Å; S263-L267 PolarHBondContact O-N 3.42Å; S263-S305 PolarHBondContact OG-OG 2.75Å; S263-S305 VanDerWaalsContact OG-OG 3.1Å
264	E	89.8	Confident	89.6	Confident	142 Å²	142	62.1 Å²	62.1	66%	0.664	30%	0.296	S	S	*	.	H	α-helix	trans	-66.4	-47.9	179.3	-175.2	175.7	-169.1	0	0	110.7	N262 K266 L267 E268	N262-E264 VanDerWaalsContact C-N 3.33Å; N262-E264 PolarHBondContact O-N 2.92Å; N262-E264 WeakPolarHBondContact OD1-CA 3.44Å; N262-E264 WeakPolarHBondContact OD1-CB 3.44Å; N262-E264 PolarHBondContact OD1-N 3.4Å; E264-K266 VanDerWaalsContact C-N 3.35Å; E264-K266 PolarHBondContact O-N 3.25Å; E264-L267 PolarHBondContact O-N 2.89Å; E264-E268 PolarHBondContact O-N 3.36Å
265	E	90.4	Very high	89.7	Confident	49 Å²	49	63.3 Å²	63.3	23%	0.229	30%	0.303	C	S	.	.	H	α-helix	trans	-61.9	-40.7	177.4	-68.7	177.3	132.8	0	0	111.9	K256 M261 N262 L267 E268 Q269	K256-E265 IonicContact NZ-OE1 3.82Å; K256-E265 PolarHBondContact NZ-OE1 2.74Å; K256-E265 IonicContact NZ-OE2 2.67Å; M261-E265 WeakPolarHBondContact CA-OE2 3.45Å; M261-E265 HydrophobicContact CB-CB 4.06Å; M261-E265 HydrophobicContact CG-CB 4.32Å; N262-E265 PolarHBondContact N-OE2 2.94Å; N262-E265 PolarHBondContact ND2-OE2 2.66Å; N262-E265 PolarHBondContact O-N 2.88Å; N262-E265 PolarHBondContact OD1-N 2.67Å; E265-L267 VanDerWaalsContact C-N 3.32Å; E265-L267 PolarHBondContact O-N 3.5Å; E265-E268 PolarHBondContact O-N 3.08Å; E265-Q269 WeakPolarHBondContact O-CB 3.43Å; E265-Q269 VanDerWaalsContact O-CG 3.29Å; E265-Q269 WeakPolarHBondContact O-CG 3.31Å; E265-Q269 PolarHBondContact O-N 3.38Å
266	K	91.6	Very high	89.7	Confident	12 Å²	12	67.3 Å²	67.3	5%	0.052	31%	0.313	C	S	.	.	H	α-helix	trans	-60	-42	175.9	-76.9	-178.9	179.6	-177.2	0	111.8	S258 M261 N262 E264 S270 L300 E303	S258-K266 WeakPolarHBondContact O-CE 3.28Å; S258-K266 PolarHBondContact O-NZ 2.99Å; M261-K266 HydrophobicContact CB-CG 3.67Å; M261-K266 WeakPolarHBondContact O-CE 3.48Å; N262-K266 WeakPolarHBondContact O-CG 3.31Å; N262-K266 PolarHBondContact O-N 2.92Å; E264-K266 VanDerWaalsContact C-N 3.35Å; E264-K266 PolarHBondContact O-N 3.25Å; K266-S270 WeakPolarHBondContact O-CB 3.36Å; K266-S270 PolarHBondContact O-N 3.41Å; K266-S270 PolarHBondContact O-OG 3.14Å; K266-L300 HydrophobicContact CB-CD2 4.12Å; K266-E303 HydrophobicContact CD-CG 4.28Å; K266-E303 IonicContact NZ-OE2 3.31Å; K266-E303 PolarHBondContact NZ-OE2 3.07Å
267	L	92.9	Very high	90.2	Very high	17 Å²	17	62.9 Å²	62.9	9%	0.089	29%	0.294	C	S	.	.	H	α-helix	trans	-68.8	-41.8	178.6	-69.7	174.8	0	0	0	111.9	S263 E264 E265 T271 L300 F306 E310 K313 A314 L317	S263-L267 WeakPolarHBondContact O-CG 3.27Å; S263-L267 PolarHBondContact O-N 3.42Å; E264-L267 PolarHBondContact O-N 2.89Å; E265-L267 VanDerWaalsContact C-N 3.32Å; E265-L267 PolarHBondContact O-N 3.5Å; L267-T271 PolarHBondContact O-N 3.32Å; L267-T271 VanDerWaalsContact O-N 3.13Å; L267-T271 PolarHBondContact O-OG1 3.35Å; L267-L300 HydrophobicContact CD2-CD2 4.29Å; L267-F306 HydrophobicContact CD1-CE1 4.31Å; L267-F306 HydrophobicContact CD2-CE1 4.38Å; L267-F306 HydrophobicContact CG-CE1 4.13Å; L267-E310 HydrophobicContact CD1-CB 3.86Å; L267-E310 HydrophobicContact CD1-CG 3.87Å; L267-K313 HydrophobicContact CD1-CB 4.36Å; L267-K313 HydrophobicContact CD2-CB 4.22Å; L267-A314 HydrophobicContact CD2-CB 3.89Å; L267-L317 HydrophobicContact CD2-CD1 3.86Å
268	E	92.3	Very high	90.9	Very high	115 Å²	115	62.1 Å²	62.1	54%	0.537	29%	0.293	S	S	.	.	H	α-helix	trans	-63.1	-53.3	176	-172.6	-177	-170	0	0	111.1	E264 E265 S270 T271 I272	E264-E268 PolarHBondContact O-N 3.36Å; E265-E268 PolarHBondContact O-N 3.08Å; E268-S270 VanDerWaalsContact C-N 3.32Å; E268-S270 PolarHBondContact O-N 3.07Å; E268-T271 WeakPolarHBondContact O-CA 3.47Å; E268-T271 WeakPolarHBondContact O-CB 3.16Å; E268-T271 PolarHBondContact O-N 3.34Å; E268-I272 HydrophobicContact CG-CD1 4.28Å; E268-I272 PolarHBondContact O-N 2.88Å
269	Q	90.5	Very high	91.5	Very high	56 Å²	56	64.1 Å²	64.1	26%	0.262	30%	0.304	S	S	.	.	H	α-helix	trans	-61.4	-40.4	178.9	-69	-54.1	-51.4	0	0	111.9	M261 E265 T271 I272 V273 W299	M261-Q269 HydrophobicContact SD-CB 4.15Å; M261-Q269 HydrophobicContact SD-CG 3.83Å; E265-Q269 WeakPolarHBondContact O-CB 3.43Å; E265-Q269 VanDerWaalsContact O-CG 3.29Å; E265-Q269 WeakPolarHBondContact O-CG 3.31Å; E265-Q269 PolarHBondContact O-N 3.38Å; Q269-T271 PolarHBondContact O-N 2.99Å; Q269-I272 PolarHBondContact O-N 2.91Å; Q269-V273 WeakPolarHBondContact O-CG2 3.42Å; Q269-V273 PolarHBondContact O-N 2.86Å; Q269-W299 HydrophobicContact CB-CE3 4.41Å; Q269-W299 HydrophobicContact CB-CH2 4.21Å; Q269-W299 HydrophobicContact CB-CZ3 3.81Å
270	S	93.6	Very high	91.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.3	-36.1	174.4	-69	0	0	0	0	112.4	K266 E268 V273 K274 I296	K266-S270 WeakPolarHBondContact O-CB 3.36Å; K266-S270 PolarHBondContact O-N 3.41Å; K266-S270 PolarHBondContact O-OG 3.14Å; E268-S270 VanDerWaalsContact C-N 3.32Å; E268-S270 PolarHBondContact O-N 3.07Å; S270-V273 WeakPolarHBondContact O-CG2 3.42Å; S270-K274 WeakPolarHBondContact O-CB 3.07Å; S270-K274 PolarHBondContact O-N 2.87Å; S270-K274 VanDerWaalsContact O-N 3.08Å; S270-I296 WeakPolarHBondContact O-CD1 3.3Å
271	T	94.9	Very high	92.4	Very high	59 Å²	59	54.6 Å²	54.6	36%	0.362	27%	0.265	S	S	.	.	H	α-helix	trans	-69.8	-44.3	176.8	-57.9	0	0	0	0	111.1	L267 E268 Q269 K274 E275	L267-T271 PolarHBondContact O-N 3.32Å; L267-T271 VanDerWaalsContact O-N 3.13Å; L267-T271 PolarHBondContact O-OG1 3.35Å; E268-T271 WeakPolarHBondContact O-CA 3.47Å; E268-T271 WeakPolarHBondContact O-CB 3.16Å; E268-T271 PolarHBondContact O-N 3.34Å; Q269-T271 PolarHBondContact O-N 2.99Å; T271-K274 WeakPolarHBondContact O-CB 3.32Å; T271-K274 PolarHBondContact O-N 2.84Å; T271-E275 PolarHBondContact O-N 3.24Å; T271-E275 VanDerWaalsContact O-N 3.11Å
272	I	90.9	Very high	92.7	Very high	54 Å²	54	62.1 Å²	62.1	28%	0.277	30%	0.298	S	S	.	.	H	α-helix	trans	-61.1	-50.3	177.9	-65.4	166.4	0	0	0	111.1	E268 Q269 K274 E275 R276	E268-I272 HydrophobicContact CG-CD1 4.28Å; E268-I272 PolarHBondContact O-N 2.88Å; Q269-I272 PolarHBondContact O-N 2.91Å; I272-K274 VanDerWaalsContact C-N 3.29Å; I272-K274 PolarHBondContact O-N 3.18Å; I272-E275 PolarHBondContact O-N 3.07Å; I272-R276 WeakPolarHBondContact O-CG 3.28Å; I272-R276 PolarHBondContact O-N 3.34Å
273	V	91.5	Very high	92.8	Very high	3 Å²	3	63.2 Å²	63.2	2%	0.018	30%	0.3	C	S	.	.	H	α-helix	trans	-68.6	-29.7	-179.1	-58	0	0	0	0	112	Q269 S270 E275 R276 G277 K295 I296 W299	Q269-V273 WeakPolarHBondContact O-CG2 3.42Å; Q269-V273 PolarHBondContact O-N 2.86Å; S270-V273 WeakPolarHBondContact O-CG2 3.42Å; V273-E275 VanDerWaalsContact C-N 3.34Å; V273-E275 PolarHBondContact O-N 2.68Å; V273-R276 PolarHBondContact O-N 2.86Å; V273-G277 PolarHBondContact O-N 3.02Å; V273-K295 HydrophobicContact CG1-CD 4.48Å; V273-I296 HydrophobicContact CG2-CD1 3.87Å; V273-I296 HydrophobicContact CG2-CG1 3.32Å; V273-W299 HydrophobicContact CB-CZ3 4.48Å; V273-W299 HydrophobicContact CG1-CH2 3.81Å; V273-W299 HydrophobicContact CG1-CZ3 3.91Å; V273-W299 HydrophobicContact CG2-CH2 4.39Å; V273-W299 HydrophobicContact CG2-CZ3 3.74Å
274	K	96.4	Very high	92.8	Very high	70 Å²	70	64 Å²	64	30%	0.304	31%	0.312	S	S	.	.	H	α-helix	trans	-61.3	-42.9	171.4	177	-173.4	162.2	-168.1	0	111.5	S270 T271 I272 T278 Y293 I296 L317	S270-K274 WeakPolarHBondContact O-CB 3.07Å; S270-K274 PolarHBondContact O-N 2.87Å; S270-K274 VanDerWaalsContact O-N 3.08Å; T271-K274 WeakPolarHBondContact O-CB 3.32Å; T271-K274 PolarHBondContact O-N 2.84Å; I272-K274 VanDerWaalsContact C-N 3.29Å; I272-K274 PolarHBondContact O-N 3.18Å; K274-T278 WeakPolarHBondContact O-CB 3.32Å; K274-T278 PolarHBondContact O-N 2.86Å; K274-T278 PolarHBondContact O-OG1 2.83Å; K274-Y293 HydrophobicContact CG-CE1 4.29Å; K274-I296 HydrophobicContact CB-CD1 3.65Å; K274-I296 HydrophobicContact CG-CD1 4.46Å; K274-L317 HydrophobicContact CD-CD2 3.94Å
275	E	95.5	Very high	92.7	Very high	128 Å²	128	61.6 Å²	61.6	60%	0.598	30%	0.299	S	S	*	.	H	α-helix	trans	-65.1	-46.3	176.6	-71.2	-177.2	178.6	0	0	111.1	T271 I272 V273 G277 T278 V279	T271-E275 PolarHBondContact O-N 3.24Å; T271-E275 VanDerWaalsContact O-N 3.11Å; I272-E275 PolarHBondContact O-N 3.07Å; V273-E275 VanDerWaalsContact C-N 3.34Å; V273-E275 PolarHBondContact O-N 2.68Å; E275-G277 PolarHBondContact O-N 3.43Å; E275-T278 WeakPolarHBondContact O-CA 3.32Å; E275-T278 WeakPolarHBondContact O-CB 3.47Å; E275-T278 PolarHBondContact O-N 2.89Å; E275-V279 PolarHBondContact O-N 3.4Å
276	R	90.3	Very high	92.8	Very high	109 Å²	109	62.2 Å²	62.2	41%	0.411	30%	0.299	S	S	.	.	H	α-helix	trans	-56.8	-48.9	174.3	-68.2	179.6	-176.5	177.6	3.7	112.2	I272 V273 T278 V279 Y280	I272-R276 WeakPolarHBondContact O-CG 3.28Å; I272-R276 PolarHBondContact O-N 3.34Å; V273-R276 PolarHBondContact O-N 2.86Å; R276-T278 PolarHBondContact O-N 2.86Å; R276-V279 WeakPolarHBondContact O-CB 3.49Å; R276-V279 PolarHBondContact O-N 3.42Å; R276-V279 VanDerWaalsContact O-N 3.08Å; R276-Y280 PolarHBondContact O-N 2.91Å
277	G	94.8	Very high	92.7	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58.6	-34.3	175.7	0	0	0	0	0	112.5	V273 E275 Y280 F281 A289 Y293	V273-G277 PolarHBondContact O-N 3.02Å; E275-G277 PolarHBondContact O-N 3.43Å; G277-Y280 PolarHBondContact O-N 3.03Å; G277-F281 WeakPolarHBondContact O-CB 3.5Å; G277-F281 PolarHBondContact O-N 2.79Å; G277-A289 WeakPolarHBondContact O-CB 3.48Å; G277-Y293 PolarHBondContact O-OH 2.8Å
278	T	95.6	Very high	92.5	Very high	46 Å²	46	65.9 Å²	65.9	28%	0.282	32%	0.315	S	S	.	.	H	α-helix	trans	-70.9	-37	176.7	-55.7	0	0	0	0	112	K274 E275 R276 F281 K282 Y293	K274-T278 WeakPolarHBondContact O-CB 3.32Å; K274-T278 PolarHBondContact O-N 2.86Å; K274-T278 PolarHBondContact O-OG1 2.83Å; E275-T278 WeakPolarHBondContact O-CA 3.32Å; E275-T278 WeakPolarHBondContact O-CB 3.47Å; E275-T278 PolarHBondContact O-N 2.89Å; R276-T278 PolarHBondContact O-N 2.86Å; T278-F281 PolarHBondContact O-N 3.12Å; T278-K282 WeakPolarHBondContact O-CG 3.29Å; T278-K282 PolarHBondContact O-N 3.24Å; T278-K282 VanDerWaalsContact O-N 3.09Å; T278-Y293 VanDerWaalsContact CA-OH 3.27Å; T278-Y293 WeakPolarHBondContact CA-OH 3.44Å; T278-Y293 PolarHBondContact N-OH 3.46Å; T278-Y293 VanDerWaalsContact N-OH 3.1Å; T278-Y293 PolarHBondContact OG1-OH 2.9Å; T278-Y293 VanDerWaalsContact OG1-OH 3.08Å
279	V	94.3	Very high	92.5	Very high	73 Å²	73	60.4 Å²	60.4	44%	0.442	29%	0.289	S	S	.	.	H	α-helix	trans	-61.9	-51.4	171.7	174.2	0	0	0	0	109.9	E275 R276 F281 K282 E283	E275-V279 PolarHBondContact O-N 3.4Å; R276-V279 WeakPolarHBondContact O-CB 3.49Å; R276-V279 PolarHBondContact O-N 3.42Å; R276-V279 VanDerWaalsContact O-N 3.08Å; V279-F281 VanDerWaalsContact C-N 3.29Å; V279-F281 PolarHBondContact O-N 2.95Å; V279-K282 WeakPolarHBondContact O-CB 3.29Å; V279-K282 PolarHBondContact O-N 3.46Å; V279-E283 WeakPolarHBondContact O-CG 3.43Å; V279-E283 PolarHBondContact O-N 2.84Å
280	Y	91.3	Very high	92.7	Very high	51 Å²	51	58.6 Å²	58.6	20%	0.2	28%	0.281	C	S	.	.	H	α-helix	trans	-57.6	-41	176.8	-71.2	-35.8	0	0	0	113.1	E194 R276 G277 K282 E283 G284 K285 Q288 Q292	E194-Y280 PolarHBondContact OE2-OH 3.09Å; R276-Y280 PolarHBondContact O-N 2.91Å; G277-Y280 PolarHBondContact O-N 3.03Å; Y280-K282 VanDerWaalsContact C-N 3.34Å; Y280-K282 PolarHBondContact O-N 3.47Å; Y280-E283 PolarHBondContact O-N 3.09Å; Y280-G284 PolarHBondContact O-N 3.28Å; Y280-K285 HydrophobicContact CD1-CB 4.49Å; Y280-K285 HydrophobicContact CD1-CD 4.25Å; Y280-K285 PolarHBondContact O-N 3.02Å; Y280-Q288 HydrophobicContact CD1-CB 4.29Å; Y280-Q288 HydrophobicContact CD2-CB 3.53Å; Y280-Q288 HydrophobicContact CE2-CB 3.76Å; Y280-Q288 HydrophobicContact CG-CB 3.79Å; Y280-Q288 PolarHBondContact OH-NE2 3.42Å; Y280-Q292 HydrophobicContact CD2-CG 3.85Å; Y280-Q292 HydrophobicContact CE2-CG 3.85Å
281	F	95.5	Very high	92.5	Very high	52 Å²	52	61.8 Å²	61.8	23%	0.228	30%	0.298	C	S	.	.	H	α-helix	trans	-61.3	-42.5	176.4	-174.9	-90.3	0	0	0	112.2	G277 T278 V279 E283 G284 Y286 A289 M327 C328 K331	G277-F281 WeakPolarHBondContact O-CB 3.5Å; G277-F281 PolarHBondContact O-N 2.79Å; T278-F281 PolarHBondContact O-N 3.12Å; V279-F281 VanDerWaalsContact C-N 3.29Å; V279-F281 PolarHBondContact O-N 2.95Å; F281-E283 VanDerWaalsContact C-N 3.32Å; F281-E283 PolarHBondContact O-N 3.23Å; F281-G284 PolarHBondContact O-N 2.96Å; F281-G284 VanDerWaalsContact O-N 3.15Å; F281-Y286 AromaticContact CD2-CD1 3.71Å; F281-Y286 HydrophobicContact CD2-CD1 3.71Å; F281-Y286 AromaticContact CD2-CE1 3.95Å; F281-Y286 HydrophobicContact CD2-CE1 3.95Å; F281-Y286 AromaticContact CE2-CD1 3.83Å; F281-Y286 HydrophobicContact CE2-CD1 3.83Å; F281-Y286 AromaticContact CE2-CE1 3.83Å; F281-Y286 HydrophobicContact CE2-CE1 3.83Å; F281-Y286 HydrophobicContact CG-CD1 4.48Å; F281-Y286 HydrophobicContact CG-CE1 4.47Å; F281-Y286 HydrophobicContact CZ-CE1 4.25Å; F281-A289 HydrophobicContact CB-CB 4.16Å; F281-M327 HydrophobicContact CE1-CG 4.41Å; F281-M327 HydrophobicContact CE2-CB 4.26Å; F281-M327 HydrophobicContact CE2-CG 3.67Å; F281-M327 HydrophobicContact CZ-CB 4.43Å; F281-M327 HydrophobicContact CZ-CE 4.13Å; F281-M327 HydrophobicContact CZ-CG 3.42Å; F281-M327 VanDerWaalsContact CZ-CG 3.42Å; F281-C328 VanDerWaalsContact CD2-SG 3.56Å; F281-K331 HydrophobicContact CE2-CG 4.14Å; F281-K331 HydrophobicContact CZ-CG 4.25Å
282	K	95.6	Very high	92.4	Very high	169 Å²	169	59 Å²	59	74%	0.735	28%	0.281	S	S	*	.	H	α-helix	trans	-65.8	-34.8	177.3	-73.5	173.4	180	177.6	0	112.3	T278 V279 Y280 G284	T278-K282 WeakPolarHBondContact O-CG 3.29Å; T278-K282 PolarHBondContact O-N 3.24Å; T278-K282 VanDerWaalsContact O-N 3.09Å; V279-K282 WeakPolarHBondContact O-CB 3.29Å; V279-K282 PolarHBondContact O-N 3.46Å; Y280-K282 VanDerWaalsContact C-N 3.34Å; Y280-K282 PolarHBondContact O-N 3.47Å; K282-G284 PolarHBondContact O-N 2.87Å
283	E	91.5	Very high	92.6	Very high	105 Å²	105	56.6 Å²	56.6	49%	0.491	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-1.8	175	-66.9	-179.9	177.2	0	0	113.5	V279 Y280 F281 K285	V279-E283 WeakPolarHBondContact O-CG 3.43Å; V279-E283 PolarHBondContact O-N 2.84Å; Y280-E283 PolarHBondContact O-N 3.09Å; F281-E283 VanDerWaalsContact C-N 3.32Å; F281-E283 PolarHBondContact O-N 3.23Å; E283-K285 VanDerWaalsContact C-N 3.25Å; E283-K285 HydrophobicContact CB-CD 4.36Å; E283-K285 HydrophobicContact CB-CG 4.08Å; E283-K285 PolarHBondContact O-N 3.02Å; E283-K285 WeakPolarHBondContact OE2-CE 3.44Å; E283-K285 IonicContact OE2-NZ 3.93Å; E283-K285 PolarHBondContact OE2-NZ 3.12Å
284	G	90.1	Very high	92.7	Very high	35 Å²	35	62 Å²	62	36%	0.361	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	6.5	-177.1	0	0	0	0	0	114.2	Y280 F281 K282 Y286	Y280-G284 PolarHBondContact O-N 3.28Å; F281-G284 PolarHBondContact O-N 2.96Å; F281-G284 VanDerWaalsContact O-N 3.15Å; K282-G284 PolarHBondContact O-N 2.87Å; G284-Y286 VanDerWaalsContact C-N 3.26Å; G284-Y286 WeakPolarHBondContact O-CD2 3.32Å; G284-Y286 PolarHBondContact O-N 2.84Å
285	K	88.1	Confident	92.5	Very high	91 Å²	91	60.6 Å²	60.6	40%	0.396	29%	0.285	S	S	.	.			trans	-85.1	64.9	-179.4	-55.8	-174.3	-167.1	156.6	0	110.9	Y280 E283 K287 Q288 A289	Y280-K285 HydrophobicContact CD1-CB 4.49Å; Y280-K285 HydrophobicContact CD1-CD 4.25Å; Y280-K285 PolarHBondContact O-N 3.02Å; E283-K285 VanDerWaalsContact C-N 3.25Å; E283-K285 HydrophobicContact CB-CD 4.36Å; E283-K285 HydrophobicContact CB-CG 4.08Å; E283-K285 PolarHBondContact O-N 3.02Å; E283-K285 WeakPolarHBondContact OE2-CE 3.44Å; E283-K285 IonicContact OE2-NZ 3.93Å; E283-K285 PolarHBondContact OE2-NZ 3.12Å; K285-K287 PolarHBondContact O-N 3.16Å; K285-Q288 HydrophobicContact CB-CB 4.46Å; K285-Q288 PolarHBondContact O-N 2.98Å; K285-A289 PolarHBondContact O-N 3.32Å; K285-A289 VanDerWaalsContact O-N 3.09Å
286	Y	92.1	Very high	92.4	Very high	61 Å²	61	54.5 Å²	54.5	24%	0.239	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-34.1	-169.7	-52.7	-54.7	0	0	0	114.2	F281 G284 A289 L290 K331 L332	F281-Y286 AromaticContact CD2-CD1 3.71Å; F281-Y286 HydrophobicContact CD2-CD1 3.71Å; F281-Y286 AromaticContact CD2-CE1 3.95Å; F281-Y286 HydrophobicContact CD2-CE1 3.95Å; F281-Y286 AromaticContact CE2-CD1 3.83Å; F281-Y286 HydrophobicContact CE2-CD1 3.83Å; F281-Y286 AromaticContact CE2-CE1 3.83Å; F281-Y286 HydrophobicContact CE2-CE1 3.83Å; F281-Y286 HydrophobicContact CG-CD1 4.48Å; F281-Y286 HydrophobicContact CG-CE1 4.47Å; F281-Y286 HydrophobicContact CZ-CE1 4.25Å; G284-Y286 VanDerWaalsContact C-N 3.26Å; G284-Y286 WeakPolarHBondContact O-CD2 3.32Å; G284-Y286 PolarHBondContact O-N 2.84Å; Y286-A289 PolarHBondContact O-N 3.17Å; Y286-L290 WeakPolarHBondContact O-CG 3.11Å; Y286-L290 PolarHBondContact O-N 3.26Å; Y286-K331 HydrophobicContact CD1-CB 3.98Å; Y286-K331 HydrophobicContact CD1-CG 4.21Å; Y286-K331 HydrophobicContact CD2-CB 3.71Å; Y286-K331 HydrophobicContact CE1-CB 4Å; Y286-K331 HydrophobicContact CE1-CD 4.39Å; Y286-K331 HydrophobicContact CE1-CG 3.85Å; Y286-K331 HydrophobicContact CE2-CB 3.7Å; Y286-K331 HydrophobicContact CE2-CD 4.38Å; Y286-K331 HydrophobicContact CE2-CG 4.22Å; Y286-K331 HydrophobicContact CG-CB 3.86Å; Y286-L332 HydrophobicContact CD2-CD2 4.38Å
287	K	89.6	Confident	92.5	Very high	98 Å²	98	50.2 Å²	50.2	43%	0.426	24%	0.243	S	C	.	.	H	α-helix	trans	-62.4	-44.3	176	-74.1	-172.8	174	-171.8	0	111.9	E196 K285 L290 L291 L332	E196-K287 IonicContact OE1-NZ 3.5Å; E196-K287 PolarHBondContact OE1-NZ 2.94Å; E196-K287 IonicContact OE2-NZ 3.78Å; E196-K287 PolarHBondContact OE2-NZ 2.92Å; K285-K287 PolarHBondContact O-N 3.16Å; K287-L290 WeakPolarHBondContact O-CB 3.37Å; K287-L290 PolarHBondContact O-N 3.09Å; K287-L291 PolarHBondContact O-N 3.17Å; K287-L332 HydrophobicContact CG-CD1 4.42Å; K287-L332 HydrophobicContact CG-CD2 4.43Å
288	Q	87.2	Confident	92.4	Very high	9 Å²	9	53.7 Å²	53.7	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-67.3	-41	176.7	-66.8	175.9	-80.9	0	0	111.5	E194 N197 Y280 K285 L290 L291 Q292	E194-Q288 PolarHBondContact OE2-NE2 3.22Å; N197-Q288 HydrophobicContact CB-CG 4.02Å; N197-Q288 VanDerWaalsContact ND2-CG 3.28Å; N197-Q288 WeakPolarHBondContact ND2-CG 3Å; Y280-Q288 HydrophobicContact CD1-CB 4.29Å; Y280-Q288 HydrophobicContact CD2-CB 3.53Å; Y280-Q288 HydrophobicContact CE2-CB 3.76Å; Y280-Q288 HydrophobicContact CG-CB 3.79Å; Y280-Q288 PolarHBondContact OH-NE2 3.42Å; K285-Q288 HydrophobicContact CB-CB 4.46Å; K285-Q288 PolarHBondContact O-N 2.98Å; Q288-L290 VanDerWaalsContact C-N 3.26Å; Q288-L290 PolarHBondContact O-N 2.98Å; Q288-L291 PolarHBondContact O-N 3.27Å; Q288-L291 VanDerWaalsContact O-N 3.14Å; Q288-Q292 WeakPolarHBondContact O-CG 3.44Å; Q288-Q292 PolarHBondContact O-N 3Å; Q288-Q292 VanDerWaalsContact O-N 3.13Å
289	A	93.6	Very high	92.1	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-56.4	-41.3	173.6	0	0	0	0	0	111.9	G277 F281 K285 Y286 Q292 Y293	G277-A289 WeakPolarHBondContact O-CB 3.48Å; F281-A289 HydrophobicContact CB-CB 4.16Å; K285-A289 PolarHBondContact O-N 3.32Å; K285-A289 VanDerWaalsContact O-N 3.09Å; Y286-A289 PolarHBondContact O-N 3.17Å; A289-Q292 PolarHBondContact O-N 3.41Å; A289-Y293 HydrophobicContact CB-CD2 4.46Å; A289-Y293 HydrophobicContact CB-CE2 4.03Å; A289-Y293 WeakPolarHBondContact O-CD2 3.38Å; A289-Y293 PolarHBondContact O-N 3.16Å; A289-Y293 VanDerWaalsContact O-N 3.07Å
290	L	93.4	Very high	92	Very high	18 Å²	18	49.5 Å²	49.5	9%	0.094	24%	0.238	C	C	.	.	H	α-helix	trans	-58.9	-46.5	174.9	-74.8	175.5	0	0	0	112.6	Y286 K287 Q288 Q292 Y293 K294 L325 C328 H329 L332	Y286-L290 WeakPolarHBondContact O-CG 3.11Å; Y286-L290 PolarHBondContact O-N 3.26Å; K287-L290 WeakPolarHBondContact O-CB 3.37Å; K287-L290 PolarHBondContact O-N 3.09Å; Q288-L290 VanDerWaalsContact C-N 3.26Å; Q288-L290 PolarHBondContact O-N 2.98Å; L290-Q292 VanDerWaalsContact C-N 3.33Å; L290-Q292 PolarHBondContact O-N 3.45Å; L290-Y293 PolarHBondContact O-N 3.25Å; L290-K294 WeakPolarHBondContact O-CB 3.35Å; L290-K294 VanDerWaalsContact O-CG 3.3Å; L290-K294 WeakPolarHBondContact O-CG 3.42Å; L290-K294 PolarHBondContact O-N 3.25Å; L290-L325 HydrophobicContact CB-CD2 4.47Å; L290-L325 HydrophobicContact CD2-CB 4.48Å; L290-L325 HydrophobicContact CD2-CD2 3.5Å; L290-C328 HydrophobicContact CD2-CB 3.41Å; L290-C328 VanDerWaalsContact CD2-CB 3.41Å; L290-C328 HydrophobicContact CG-CB 3.7Å; L290-H329 WeakPolarHBondContact CD2-NE2 3.41Å; L290-L332 HydrophobicContact CD1-CD1 3.45Å; L290-L332 VanDerWaalsContact CD1-CD1 3.45Å; L290-L332 HydrophobicContact CG-CD1 4.33Å
291	L	90.1	Very high	91.7	Very high	66 Å²	66	51.2 Å²	51.2	35%	0.346	25%	0.248	S	C	.	.	H	α-helix	trans	-58.2	-47.6	179.5	-68.8	172.1	0	0	0	110.9	E194 K287 Q288 Y293 K294 K295	E194-L291 HydrophobicContact CG-CD1 3.93Å; K287-L291 PolarHBondContact O-N 3.17Å; Q288-L291 PolarHBondContact O-N 3.27Å; Q288-L291 VanDerWaalsContact O-N 3.14Å; L291-Y293 PolarHBondContact O-N 3.33Å; L291-K294 PolarHBondContact O-N 2.98Å; L291-K295 PolarHBondContact O-N 3.03Å
292	Q	92.4	Very high	91.1	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.4	-43.5	179.9	-60.9	-59.9	-39	0	0	112.4	E191 E194 Y280 Q288 A289 L290 K295	E191-Q292 PolarHBondContact OE1-NE2 2.86Å; E191-Q292 PolarHBondContact OE2-NE2 3.49Å; E194-Q292 PolarHBondContact OE1-NE2 2.8Å; Y280-Q292 HydrophobicContact CD2-CG 3.85Å; Y280-Q292 HydrophobicContact CE2-CG 3.85Å; Q288-Q292 WeakPolarHBondContact O-CG 3.44Å; Q288-Q292 PolarHBondContact O-N 3Å; Q288-Q292 VanDerWaalsContact O-N 3.13Å; A289-Q292 PolarHBondContact O-N 3.41Å; L290-Q292 VanDerWaalsContact C-N 3.33Å; L290-Q292 PolarHBondContact O-N 3.45Å; Q292-K295 WeakPolarHBondContact O-CB 3.46Å; Q292-K295 PolarHBondContact O-N 3.35Å
293	Y	96	Very high	90.4	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.016	25%	0.247	C	C	.	.	H	α-helix	trans	-71.9	-30.4	177.8	-62	-51.4	0	0	0	113.4	K274 G277 T278 A289 L290 L291 K295 I296 V297 N324	K274-Y293 HydrophobicContact CG-CE1 4.29Å; G277-Y293 PolarHBondContact O-OH 2.8Å; T278-Y293 VanDerWaalsContact CA-OH 3.27Å; T278-Y293 WeakPolarHBondContact CA-OH 3.44Å; T278-Y293 PolarHBondContact N-OH 3.46Å; T278-Y293 VanDerWaalsContact N-OH 3.1Å; T278-Y293 PolarHBondContact OG1-OH 2.9Å; T278-Y293 VanDerWaalsContact OG1-OH 3.08Å; A289-Y293 HydrophobicContact CB-CD2 4.46Å; A289-Y293 HydrophobicContact CB-CE2 4.03Å; A289-Y293 WeakPolarHBondContact O-CD2 3.38Å; A289-Y293 PolarHBondContact O-N 3.16Å; A289-Y293 VanDerWaalsContact O-N 3.07Å; L290-Y293 PolarHBondContact O-N 3.25Å; L291-Y293 PolarHBondContact O-N 3.33Å; Y293-K295 VanDerWaalsContact C-N 3.32Å; Y293-K295 PolarHBondContact O-N 3.27Å; Y293-I296 HydrophobicContact CD1-CD1 4.09Å; Y293-I296 PolarHBondContact O-N 2.85Å; Y293-V297 PolarHBondContact O-N 3.26Å; Y293-N324 HydrophobicContact CD1-CB 4.11Å; Y293-N324 HydrophobicContact CD2-CB 3.77Å; Y293-N324 HydrophobicContact CE1-CB 3.87Å; Y293-N324 WeakPolarHBondContact CE1-ND2 3.45Å; Y293-N324 HydrophobicContact CE2-CB 3.51Å; Y293-N324 HydrophobicContact CG-CB 4.07Å; Y293-N324 PolarHBondContact OH-ND2 3.36Å
294	K	93.6	Very high	89.8	Confident	116 Å²	116	52.2 Å²	52.2	50%	0.504	26%	0.262	S	S	.	.	H	α-helix	trans	-64.1	-35.4	174.6	-79.8	179.7	177.8	-174.6	0	112.1	L290 L291 I296 V297 S298 L325	L290-K294 WeakPolarHBondContact O-CB 3.35Å; L290-K294 VanDerWaalsContact O-CG 3.3Å; L290-K294 WeakPolarHBondContact O-CG 3.42Å; L290-K294 PolarHBondContact O-N 3.25Å; L291-K294 PolarHBondContact O-N 2.98Å; K294-I296 VanDerWaalsContact C-N 3.31Å; K294-I296 PolarHBondContact O-N 3.19Å; K294-V297 PolarHBondContact O-N 3.5Å; K294-S298 PolarHBondContact O-N 3.45Å; K294-L325 HydrophobicContact CG-CD2 3.98Å
295	K	91.4	Very high	89.4	Confident	42 Å²	42	54.2 Å²	54.2	18%	0.183	27%	0.27	C	S	.	.	H	α-helix	trans	-56.7	-44.6	174.2	-68.4	-179.6	179.8	-171.3	0	112.1	E191 V273 L291 Q292 Y293 V297 S298 W299	E191-K295 WeakPolarHBondContact OE1-CE 3.29Å; E191-K295 IonicContact OE1-NZ 3.64Å; E191-K295 PolarHBondContact OE1-NZ 3.41Å; E191-K295 IonicContact OE2-NZ 2.7Å; E191-K295 PolarHBondContact OE2-NZ 3.33Å; V273-K295 HydrophobicContact CG1-CD 4.48Å; L291-K295 PolarHBondContact O-N 3.03Å; Q292-K295 WeakPolarHBondContact O-CB 3.46Å; Q292-K295 PolarHBondContact O-N 3.35Å; Y293-K295 VanDerWaalsContact C-N 3.32Å; Y293-K295 PolarHBondContact O-N 3.27Å; K295-V297 VanDerWaalsContact C-N 3.34Å; K295-V297 PolarHBondContact O-N 3.34Å; K295-S298 PolarHBondContact O-N 3.3Å; K295-W299 HydrophobicContact CB-CD2 4.38Å; K295-W299 HydrophobicContact CB-CE3 4.36Å; K295-W299 HydrophobicContact CB-CH2 4.03Å; K295-W299 HydrophobicContact CB-CZ2 4.02Å; K295-W299 HydrophobicContact CB-CZ3 4.19Å; K295-W299 HydrophobicContact CD-CH2 4.16Å; K295-W299 HydrophobicContact CD-CZ2 4.17Å; K295-W299 HydrophobicContact CG-CZ2 4.42Å; K295-W299 VanDerWaalsContact O-CG 3.26Å; K295-W299 PolarHBondContact O-N 3.3Å
296	I	94.1	Very high	89.4	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.3	-46.2	179.6	-55.1	168.2	0	0	0	110.9	S270 V273 K274 Y293 K294 W299 L300 L317 S321	S270-I296 WeakPolarHBondContact O-CD1 3.3Å; V273-I296 HydrophobicContact CG2-CD1 3.87Å; V273-I296 HydrophobicContact CG2-CG1 3.32Å; K274-I296 HydrophobicContact CB-CD1 3.65Å; K274-I296 HydrophobicContact CG-CD1 4.46Å; Y293-I296 HydrophobicContact CD1-CD1 4.09Å; Y293-I296 PolarHBondContact O-N 2.85Å; K294-I296 VanDerWaalsContact C-N 3.31Å; K294-I296 PolarHBondContact O-N 3.19Å; I296-W299 PolarHBondContact O-N 3.2Å; I296-L300 HydrophobicContact CG2-CD1 3.67Å; I296-L300 HydrophobicContact CG2-CG 4.38Å; I296-L300 WeakPolarHBondContact O-CB 3.35Å; I296-L300 WeakPolarHBondContact O-CG 3.49Å; I296-L300 PolarHBondContact O-N 3.14Å; I296-L300 VanDerWaalsContact O-N 3.13Å; I296-L317 HydrophobicContact CG2-CB 4.34Å; I296-S321 WeakPolarHBondContact CB-OG 3.49Å; I296-S321 WeakPolarHBondContact CD1-OG 3.39Å; I296-S321 WeakPolarHBondContact CG2-OG 3.36Å
297	V	93.1	Very high	89.4	Confident	19 Å²	19	51.2 Å²	51.2	12%	0.115	27%	0.266	C	S	.	.	H	α-helix	trans	-60.5	-49.7	177.2	178.9	0	0	0	0	109.3	Y293 K294 K295 W299 L300 E301 L325	Y293-V297 PolarHBondContact O-N 3.26Å; K294-V297 PolarHBondContact O-N 3.5Å; K295-V297 VanDerWaalsContact C-N 3.34Å; K295-V297 PolarHBondContact O-N 3.34Å; V297-W299 VanDerWaalsContact C-N 3.33Å; V297-W299 PolarHBondContact O-N 2.91Å; V297-L300 PolarHBondContact O-N 3.36Å; V297-E301 WeakPolarHBondContact O-CB 3.38Å; V297-E301 PolarHBondContact O-N 3.4Å; V297-L325 HydrophobicContact CG2-CD1 3.99Å
298	S	90.9	Very high	89.3	Confident	72 Å²	72	51.1 Å²	51.1	50%	0.503	28%	0.278	S	S	.	.	H	α-helix	trans	-58.9	-38.5	-179.8	-175	0	0	0	0	113.9	K294 K295	K294-S298 PolarHBondContact O-N 3.45Å; K295-S298 PolarHBondContact O-N 3.3Å
299	W	90.8	Very high	89.5	Confident	31 Å²	31	56.5 Å²	56.5	12%	0.117	30%	0.303	C	S	.	.	H	α-helix	trans	-75.5	-32.7	-179.3	-64.1	-29.6	0	0	0	113.1	M261 Q269 V273 K295 I296 V297	M261-W299 HydrophobicContact CE-CD2 3.96Å; M261-W299 HydrophobicContact CE-CG 4.05Å; M261-W299 HydrophobicContact CE-CZ2 4.11Å; Q269-W299 HydrophobicContact CB-CE3 4.41Å; Q269-W299 HydrophobicContact CB-CH2 4.21Å; Q269-W299 HydrophobicContact CB-CZ3 3.81Å; V273-W299 HydrophobicContact CB-CZ3 4.48Å; V273-W299 HydrophobicContact CG1-CH2 3.81Å; V273-W299 HydrophobicContact CG1-CZ3 3.91Å; V273-W299 HydrophobicContact CG2-CH2 4.39Å; V273-W299 HydrophobicContact CG2-CZ3 3.74Å; K295-W299 HydrophobicContact CB-CD2 4.38Å; K295-W299 HydrophobicContact CB-CE3 4.36Å; K295-W299 HydrophobicContact CB-CH2 4.03Å; K295-W299 HydrophobicContact CB-CZ2 4.02Å; K295-W299 HydrophobicContact CB-CZ3 4.19Å; K295-W299 HydrophobicContact CD-CH2 4.16Å; K295-W299 HydrophobicContact CD-CZ2 4.17Å; K295-W299 HydrophobicContact CG-CZ2 4.42Å; K295-W299 VanDerWaalsContact O-CG 3.26Å; K295-W299 PolarHBondContact O-N 3.3Å; I296-W299 PolarHBondContact O-N 3.2Å; V297-W299 VanDerWaalsContact C-N 3.33Å; V297-W299 PolarHBondContact O-N 2.91Å
300	L	91.8	Very high	89.4	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-106	-8.6	-170.7	-56.3	-179.1	0	0	0	114.3	K266 L267 I296 V297 F306 A314 L317 R318	K266-L300 HydrophobicContact CB-CD2 4.12Å; L267-L300 HydrophobicContact CD2-CD2 4.29Å; I296-L300 HydrophobicContact CG2-CD1 3.67Å; I296-L300 HydrophobicContact CG2-CG 4.38Å; I296-L300 WeakPolarHBondContact O-CB 3.35Å; I296-L300 WeakPolarHBondContact O-CG 3.49Å; I296-L300 PolarHBondContact O-N 3.14Å; I296-L300 VanDerWaalsContact O-N 3.13Å; V297-L300 PolarHBondContact O-N 3.36Å; L300-F306 HydrophobicContact CD2-CE2 4.33Å; L300-F306 HydrophobicContact CD2-CZ 3.72Å; L300-A314 HydrophobicContact CD1-CB 4.47Å; L300-L317 HydrophobicContact CD1-CB 3.8Å; L300-L317 HydrophobicContact CD1-CD1 4.24Å; L300-R318 HydrophobicContact CB-CG 3.77Å; L300-R318 HydrophobicContact CD1-CG 4.16Å; L300-R318 PolarHBondContact O-NH1 3.13Å
301	E	85.1	Confident	89.3	Confident	88 Å²	88	59.6 Å²	59.6	41%	0.411	32%	0.322	S	S	.	.	S	Bend	trans	-68.4	-47.7	-175.4	-179	165.5	-151.5	0	0	112.4	V297	V297-E301 WeakPolarHBondContact O-CB 3.38Å; V297-E301 PolarHBondContact O-N 3.4Å
302	Y	81.9	Confident	89.4	Confident	194 Å²	194	62.6 Å²	62.6	76%	0.761	34%	0.335	S	S	*	.	S	Bend	trans	-100.9	4.2	-176.5	-61.6	-78.7	0	0	0	113.9	S304	Y302-S304 PolarHBondContact O-N 2.76Å
303	E	82.1	Confident	89.5	Confident	39 Å²	39	67.4 Å²	67.4	18%	0.182	36%	0.356	C	S	.	.			trans	-82.1	115.5	-179.8	-174.7	55.2	-100	0	0	111	K266 S305 F306	K266-E303 HydrophobicContact CD-CG 4.28Å; K266-E303 IonicContact NZ-OE2 3.31Å; K266-E303 PolarHBondContact NZ-OE2 3.07Å; E303-S305 VanDerWaalsContact CD-OG 3.26Å; E303-S305 VanDerWaalsContact OE1-CB 3.26Å; E303-S305 WeakPolarHBondContact OE1-CB 3.36Å; E303-S305 PolarHBondContact OE1-N 3.01Å; E303-S305 PolarHBondContact OE1-OG 3.42Å; E303-F306 HydrophobicContact CB-CD2 4.38Å; E303-F306 HydrophobicContact CB-CE2 3.58Å; E303-F306 HydrophobicContact CB-CZ 3.81Å; E303-F306 HydrophobicContact CG-CD1 4.39Å; E303-F306 HydrophobicContact CG-CD2 3.98Å; E303-F306 HydrophobicContact CG-CE1 3.86Å; E303-F306 HydrophobicContact CG-CE2 3.39Å; E303-F306 HydrophobicContact CG-CG 4.44Å; E303-F306 HydrophobicContact CG-CZ 3.31Å
304	S	77.6	Confident	89.4	Confident	114 Å²	114	67.2 Å²	67.2	80%	0.797	36%	0.355	S	S	*	.			trans	-114.4	-3.7	-177.8	65.4	0	0	0	0	113.6	Y302 F306	Y302-S304 PolarHBondContact O-N 2.76Å; S304-F306 PolarHBondContact O-N 2.56Å
305	S	83.2	Confident	89.4	Confident	77 Å²	77	65.7 Å²	65.7	54%	0.538	35%	0.35	S	S	.	.			trans	-82.6	10.2	-177.2	66.3	0	0	0	0	114.4	S263 E303	S263-S305 PolarHBondContact OG-OG 2.75Å; S263-S305 VanDerWaalsContact OG-OG 3.1Å; E303-S305 VanDerWaalsContact CD-OG 3.26Å; E303-S305 VanDerWaalsContact OE1-CB 3.26Å; E303-S305 WeakPolarHBondContact OE1-CB 3.36Å; E303-S305 PolarHBondContact OE1-N 3.01Å; E303-S305 PolarHBondContact OE1-OG 3.42Å
306	F	88.1	Confident	89.6	Confident	29 Å²	29	66.5 Å²	66.5	13%	0.127	36%	0.364	C	S	.	.			trans	-70.1	136.8	178.9	-66.2	-52.7	0	0	0	113	L267 L300 E303 S304 E310 A311 A314	L267-F306 HydrophobicContact CD1-CE1 4.31Å; L267-F306 HydrophobicContact CD2-CE1 4.38Å; L267-F306 HydrophobicContact CG-CE1 4.13Å; L300-F306 HydrophobicContact CD2-CE2 4.33Å; L300-F306 HydrophobicContact CD2-CZ 3.72Å; E303-F306 HydrophobicContact CB-CD2 4.38Å; E303-F306 HydrophobicContact CB-CE2 3.58Å; E303-F306 HydrophobicContact CB-CZ 3.81Å; E303-F306 HydrophobicContact CG-CD1 4.39Å; E303-F306 HydrophobicContact CG-CD2 3.98Å; E303-F306 HydrophobicContact CG-CE1 3.86Å; E303-F306 HydrophobicContact CG-CE2 3.39Å; E303-F306 HydrophobicContact CG-CG 4.44Å; E303-F306 HydrophobicContact CG-CZ 3.31Å; S304-F306 PolarHBondContact O-N 2.56Å; F306-E310 HydrophobicContact CB-CB 3.84Å; F306-E310 HydrophobicContact CD1-CB 3.68Å; F306-E310 HydrophobicContact CG-CB 4.08Å; F306-A311 HydrophobicContact CB-CB 4.01Å; F306-A314 HydrophobicContact CD2-CB 3.93Å; F306-A314 HydrophobicContact CE2-CB 3.59Å; F306-A314 HydrophobicContact CZ-CB 4.01Å
307	S	90.5	Very high	89.7	Confident	60 Å²	60	67.2 Å²	67.2	42%	0.42	37%	0.368	S	S	.	.			trans	-63.1	165.9	160.9	67	0	0	0	0	111.1	E309 E310 A311	S307-E309 VanDerWaalsContact C-N 3.26Å; S307-E309 PolarHBondContact O-N 3.03Å; S307-E310 VanDerWaalsContact CB-OE2 3.25Å; S307-E310 WeakPolarHBondContact CB-OE2 3.3Å; S307-E310 PolarHBondContact N-OE2 2.92Å; S307-E310 PolarHBondContact O-N 2.8Å; S307-E310 VanDerWaalsContact OG-CD 3.26Å; S307-E310 VanDerWaalsContact OG-CG 3.28Å; S307-E310 WeakPolarHBondContact OG-CG 3.4Å; S307-E310 PolarHBondContact OG-N 3.05Å; S307-E310 PolarHBondContact OG-OE2 3.14Å; S307-A311 WeakPolarHBondContact O-CB 3.42Å; S307-A311 PolarHBondContact O-N 3.26Å
308	S	88.9	Confident	89.8	Confident	96 Å²	96	68.9 Å²	68.9	67%	0.671	37%	0.372	S	S	*	.	H	α-helix	trans	-54.7	-39.6	-179.5	-176	0	0	0	0	113.2	Q312	S308-Q312 WeakPolarHBondContact O-CG 3.36Å; S308-Q312 PolarHBondContact O-N 3.44Å
309	E	91.1	Very high	90.1	Very high	122 Å²	122	66.9 Å²	66.9	57%	0.57	36%	0.356	S	S	*	.	H	α-helix	trans	-71.4	-44.2	178.4	-170.1	-171.2	150	0	0	111.8	S307 A311 Q312 K313	S307-E309 VanDerWaalsContact C-N 3.26Å; S307-E309 PolarHBondContact O-N 3.03Å; E309-A311 VanDerWaalsContact C-N 3.32Å; E309-A311 PolarHBondContact O-N 3.21Å; E309-Q312 PolarHBondContact O-N 3.49Å; E309-K313 PolarHBondContact O-N 3.45Å; E309-K313 VanDerWaalsContact O-N 3.17Å; E309-K313 VanDerWaalsContact OE1-CE 3.26Å; E309-K313 WeakPolarHBondContact OE1-CE 3.29Å; E309-K313 IonicContact OE1-NZ 2.75Å; E309-K313 PolarHBondContact OE1-NZ 3.01Å
310	E	92	Very high	90.4	Very high	47 Å²	47	66.5 Å²	66.5	22%	0.22	36%	0.359	C	S	.	.	H	α-helix	trans	-64.6	-37.5	178	-70.2	168.7	133.3	0	0	111.8	L267 F306 S307 Q312 K313 A314	L267-E310 HydrophobicContact CD1-CB 3.86Å; L267-E310 HydrophobicContact CD1-CG 3.87Å; F306-E310 HydrophobicContact CB-CB 3.84Å; F306-E310 HydrophobicContact CD1-CB 3.68Å; F306-E310 HydrophobicContact CG-CB 4.08Å; S307-E310 VanDerWaalsContact CB-OE2 3.25Å; S307-E310 WeakPolarHBondContact CB-OE2 3.3Å; S307-E310 PolarHBondContact N-OE2 2.92Å; S307-E310 PolarHBondContact O-N 2.8Å; S307-E310 VanDerWaalsContact OG-CD 3.26Å; S307-E310 VanDerWaalsContact OG-CG 3.28Å; S307-E310 WeakPolarHBondContact OG-CG 3.4Å; S307-E310 PolarHBondContact OG-N 3.05Å; S307-E310 PolarHBondContact OG-OE2 3.14Å; E310-Q312 VanDerWaalsContact C-N 3.29Å; E310-Q312 PolarHBondContact O-N 3.4Å; E310-K313 PolarHBondContact O-N 3.44Å; E310-K313 VanDerWaalsContact O-N 3.17Å; E310-A314 WeakPolarHBondContact O-CB 3.49Å; E310-A314 PolarHBondContact O-N 3.17Å
311	A	91.3	Very high	90.7	Very high	35 Å²	35	66.5 Å²	66.5	29%	0.289	36%	0.359	S	S	.	.	H	α-helix	trans	-61.9	-38.8	177.5	0	0	0	0	0	111.4	F306 S307 E309 A314 Q315	F306-A311 HydrophobicContact CB-CB 4.01Å; S307-A311 WeakPolarHBondContact O-CB 3.42Å; S307-A311 PolarHBondContact O-N 3.26Å; E309-A311 VanDerWaalsContact C-N 3.32Å; E309-A311 PolarHBondContact O-N 3.21Å; A311-A314 PolarHBondContact O-N 2.95Å; A311-Q315 VanDerWaalsContact O-CB 3.32Å; A311-Q315 WeakPolarHBondContact O-CB 3.36Å; A311-Q315 PolarHBondContact O-N 3.2Å
312	Q	92.1	Very high	91.3	Very high	129 Å²	129	63.4 Å²	63.4	60%	0.603	34%	0.344	S	S	*	.	H	α-helix	trans	-65.5	-44.1	174.1	-69.1	178.3	13.4	0	0	111.6	S308 E309 E310 Q315 A316	S308-Q312 WeakPolarHBondContact O-CG 3.36Å; S308-Q312 PolarHBondContact O-N 3.44Å; E309-Q312 PolarHBondContact O-N 3.49Å; E310-Q312 VanDerWaalsContact C-N 3.29Å; E310-Q312 PolarHBondContact O-N 3.4Å; Q312-Q315 PolarHBondContact O-N 3.27Å; Q312-A316 WeakPolarHBondContact O-CB 3.5Å; Q312-A316 PolarHBondContact O-N 3.4Å
313	K	93.6	Very high	92.1	Very high	102 Å²	102	54.8 Å²	54.8	44%	0.443	31%	0.311	S	S	.	.	H	α-helix	trans	-61.7	-45.6	175.4	-68.5	176	-173.4	165.5	0	111.4	L267 E309 E310 A316 L317	L267-K313 HydrophobicContact CD1-CB 4.36Å; L267-K313 HydrophobicContact CD2-CB 4.22Å; E309-K313 PolarHBondContact O-N 3.45Å; E309-K313 VanDerWaalsContact O-N 3.17Å; E309-K313 VanDerWaalsContact OE1-CE 3.26Å; E309-K313 WeakPolarHBondContact OE1-CE 3.29Å; E309-K313 IonicContact OE1-NZ 2.75Å; E309-K313 PolarHBondContact OE1-NZ 3.01Å; E310-K313 PolarHBondContact O-N 3.44Å; E310-K313 VanDerWaalsContact O-N 3.17Å; K313-A316 PolarHBondContact O-N 2.91Å; K313-L317 WeakPolarHBondContact O-CG 3.27Å; K313-L317 PolarHBondContact O-N 3.42Å
314	A	93.5	Very high	92.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-61.6	-43.9	176.9	0	0	0	0	0	111.7	L267 L300 F306 E310 A311 L317 R318	L267-A314 HydrophobicContact CD2-CB 3.89Å; L300-A314 HydrophobicContact CD1-CB 4.47Å; F306-A314 HydrophobicContact CD2-CB 3.93Å; F306-A314 HydrophobicContact CE2-CB 3.59Å; F306-A314 HydrophobicContact CZ-CB 4.01Å; E310-A314 WeakPolarHBondContact O-CB 3.49Å; E310-A314 PolarHBondContact O-N 3.17Å; A311-A314 PolarHBondContact O-N 2.95Å; A314-L317 PolarHBondContact O-N 3.5Å; A314-R318 WeakPolarHBondContact O-CB 3.13Å; A314-R318 WeakPolarHBondContact O-CG 2.87Å; A314-R318 PolarHBondContact O-N 2.87Å
315	Q	93.8	Very high	93.9	Very high	84 Å²	84	49.7 Å²	49.7	39%	0.393	28%	0.277	S	S	.	.	H	α-helix	trans	-62.6	-43.3	175.9	-177	170.2	-4.5	0	0	111.8	A311 Q312 L317 R318 L319 L348	A311-Q315 VanDerWaalsContact O-CB 3.32Å; A311-Q315 WeakPolarHBondContact O-CB 3.36Å; A311-Q315 PolarHBondContact O-N 3.2Å; Q312-Q315 PolarHBondContact O-N 3.27Å; Q315-L317 VanDerWaalsContact C-N 3.34Å; Q315-L317 PolarHBondContact O-N 2.94Å; Q315-R318 PolarHBondContact O-N 3.25Å; Q315-L319 WeakPolarHBondContact O-CB 3.39Å; Q315-L319 PolarHBondContact O-N 3.42Å; Q315-L348 HydrophobicContact CG-CD2 4.39Å; Q315-L348 PolarHBondContact NE2-O 3.06Å
316	A	95.4	Very high	94.6	Very high	59 Å²	59	46 Å²	46	49%	0.488	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-40.3	176	0	0	0	0	0	112.3	Q312 K313 A320	Q312-A316 WeakPolarHBondContact O-CB 3.5Å; Q312-A316 PolarHBondContact O-N 3.4Å; K313-A316 PolarHBondContact O-N 2.91Å; A316-A320 WeakPolarHBondContact O-CB 3.33Å; A316-A320 PolarHBondContact O-N 2.9Å
317	L	96.5	Very high	95.1	Very high	14 Å²	14	46.7 Å²	46.7	7%	0.073	26%	0.255	C	S	.	.	H	α-helix	trans	-66.4	-45	175.5	-78.4	167.7	0	0	0	112.2	L267 K274 I296 L300 K313 A314 Q315 A320 S321	L267-L317 HydrophobicContact CD2-CD1 3.86Å; K274-L317 HydrophobicContact CD-CD2 3.94Å; I296-L317 HydrophobicContact CG2-CB 4.34Å; L300-L317 HydrophobicContact CD1-CB 3.8Å; L300-L317 HydrophobicContact CD1-CD1 4.24Å; K313-L317 WeakPolarHBondContact O-CG 3.27Å; K313-L317 PolarHBondContact O-N 3.42Å; A314-L317 PolarHBondContact O-N 3.5Å; Q315-L317 VanDerWaalsContact C-N 3.34Å; Q315-L317 PolarHBondContact O-N 2.94Å; L317-A320 PolarHBondContact O-N 2.55Å; L317-S321 WeakPolarHBondContact O-CB 3.31Å; L317-S321 PolarHBondContact O-N 3.02Å; L317-S321 PolarHBondContact O-OG 2.87Å
318	R	95.9	Very high	95.4	Very high	55 Å²	55	43.9 Å²	43.9	21%	0.208	24%	0.235	C	C	.	.	H	α-helix	trans	-60.8	-47	175.7	-74.5	-177.1	-69.4	178.1	1.7	111.6	L300 A314 Q315 A320 S321 H322 L348	L300-R318 HydrophobicContact CB-CG 3.77Å; L300-R318 HydrophobicContact CD1-CG 4.16Å; L300-R318 PolarHBondContact O-NH1 3.13Å; A314-R318 WeakPolarHBondContact O-CB 3.13Å; A314-R318 WeakPolarHBondContact O-CG 2.87Å; A314-R318 PolarHBondContact O-N 2.87Å; Q315-R318 PolarHBondContact O-N 3.25Å; R318-A320 PolarHBondContact O-N 3.3Å; R318-S321 PolarHBondContact O-N 3.22Å; R318-H322 PolarHBondContact O-CD2 3.03Å; R318-H322 PolarHBondContact O-N 3.43Å; R318-L348 HydrophobicContact CB-CD1 3.7Å
319	L	97.1	Very high	95.8	Very high	30 Å²	30	40.2 Å²	40.2	16%	0.157	21%	0.207	C	C	.	.	H	α-helix	trans	-57.6	-50.1	176.2	175.8	61.2	0	0	0	111.2	Q315 S321 H322 L323 A345 L348 D349	Q315-L319 WeakPolarHBondContact O-CB 3.39Å; Q315-L319 PolarHBondContact O-N 3.42Å; L319-S321 VanDerWaalsContact C-N 3.28Å; L319-S321 PolarHBondContact O-N 2.68Å; L319-H322 PolarHBondContact O-N 3.01Å; L319-L323 HydrophobicContact CD1-CD1 4.07Å; L319-L323 HydrophobicContact CD1-CG 4.24Å; L319-L323 HydrophobicContact CG-CD1 4.13Å; L319-L323 WeakPolarHBondContact O-CB 3.15Å; L319-L323 VanDerWaalsContact O-CG 3.25Å; L319-L323 WeakPolarHBondContact O-CG 3.23Å; L319-L323 PolarHBondContact O-N 3.27Å; L319-A345 HydrophobicContact CD1-CB 3.91Å; L319-A345 WeakPolarHBondContact CD1-O 3.41Å; L319-L348 HydrophobicContact CB-CD1 4.18Å; L319-L348 HydrophobicContact CD1-CB 4.42Å; L319-D349 HydrophobicContact CD1-CB 4.11Å; L319-D349 HydrophobicContact CD2-CB 3.9Å
320	A	97.8	Very high	96.1	Very high	23 Å²	23	35.7 Å²	35.7	19%	0.19	19%	0.187	C	C	.	.	H	α-helix	trans	-59.9	-39.5	177.8	0	0	0	0	0	112.3	A316 L317 R318 N324	A316-A320 WeakPolarHBondContact O-CB 3.33Å; A316-A320 PolarHBondContact O-N 2.9Å; L317-A320 PolarHBondContact O-N 2.55Å; R318-A320 PolarHBondContact O-N 3.3Å; A320-N324 WeakPolarHBondContact O-CB 3.26Å; A320-N324 PolarHBondContact O-N 2.89Å; A320-N324 PolarHBondContact O-ND2 3.02Å
321	S	97.6	Very high	96.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.5	-49.1	-179.8	-56.9	0	0	0	0	111.6	I296 L317 R318 L319 L323 N324 L325	I296-S321 WeakPolarHBondContact CB-OG 3.49Å; I296-S321 WeakPolarHBondContact CD1-OG 3.39Å; I296-S321 WeakPolarHBondContact CG2-OG 3.36Å; L317-S321 WeakPolarHBondContact O-CB 3.31Å; L317-S321 PolarHBondContact O-N 3.02Å; L317-S321 PolarHBondContact O-OG 2.87Å; R318-S321 PolarHBondContact O-N 3.22Å; L319-S321 VanDerWaalsContact C-N 3.28Å; L319-S321 PolarHBondContact O-N 2.68Å; S321-L323 VanDerWaalsContact C-N 3.34Å; S321-L323 PolarHBondContact O-N 3.49Å; S321-N324 PolarHBondContact O-N 3.37Å; S321-N324 VanDerWaalsContact O-N 3.16Å; S321-L325 WeakPolarHBondContact O-CB 3.27Å; S321-L325 VanDerWaalsContact O-CG 3.3Å; S321-L325 WeakPolarHBondContact O-CG 3.41Å; S321-L325 PolarHBondContact O-N 2.87Å
322	H	98.2	Very high	96.5	Very high	22 Å²	22	40.2 Å²	40.2	10%	0.102	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-41.5	176.2	-74.2	-56.6	0	0	0	112.7	R318 L319 N324 L325 A326 K344 A345	R318-H322 PolarHBondContact O-CD2 3.03Å; R318-H322 PolarHBondContact O-N 3.43Å; L319-H322 PolarHBondContact O-N 3.01Å; H322-N324 PolarHBondContact O-N 2.7Å; H322-L325 PolarHBondContact O-N 3.41Å; H322-A326 WeakPolarHBondContact O-CB 3.48Å; H322-A326 PolarHBondContact O-N 3.04Å; H322-K344 HydrophobicContact CB-CB 4.49Å; H322-A345 HydrophobicContact CB-CB 3.9Å
323	L	98.3	Very high	96.7	Very high	13 Å²	13	41.1 Å²	41.1	7%	0.068	21%	0.206	C	C	.	.	H	α-helix	trans	-60.8	-45.9	174.4	-70.9	175.1	0	0	0	111.2	L319 S321 A326 M327 A345 N352 K354 G355 R358	L319-L323 HydrophobicContact CD1-CD1 4.07Å; L319-L323 HydrophobicContact CD1-CG 4.24Å; L319-L323 HydrophobicContact CG-CD1 4.13Å; L319-L323 WeakPolarHBondContact O-CB 3.15Å; L319-L323 VanDerWaalsContact O-CG 3.25Å; L319-L323 WeakPolarHBondContact O-CG 3.23Å; L319-L323 PolarHBondContact O-N 3.27Å; S321-L323 VanDerWaalsContact C-N 3.34Å; S321-L323 PolarHBondContact O-N 3.49Å; L323-A326 WeakPolarHBondContact O-CB 3.37Å; L323-A326 PolarHBondContact O-N 3.35Å; L323-M327 PolarHBondContact O-N 3.44Å; L323-M327 VanDerWaalsContact O-N 3.09Å; L323-A345 HydrophobicContact CD2-CB 3.74Å; L323-A345 HydrophobicContact CG-CB 3.99Å; L323-N352 WeakPolarHBondContact CD1-OD1 3.43Å; L323-K354 HydrophobicContact CD1-CB 4.41Å; L323-K354 HydrophobicContact CD2-CB 4.06Å; L323-G355 VanDerWaalsContact CD2-CA 3.49Å; L323-R358 PolarHBondContact O-NH1 3.42Å
324	N	98.3	Very high	96.9	Very high	38 Å²	38	38.1 Å²	38.1	20%	0.203	20%	0.201	C	C	.	.	H	α-helix	trans	-68.4	-37.9	179.9	-71.7	-18.2	0	0	0	112.6	Y293 A320 S321 H322 M327 C328	Y293-N324 HydrophobicContact CD1-CB 4.11Å; Y293-N324 HydrophobicContact CD2-CB 3.77Å; Y293-N324 HydrophobicContact CE1-CB 3.87Å; Y293-N324 WeakPolarHBondContact CE1-ND2 3.45Å; Y293-N324 HydrophobicContact CE2-CB 3.51Å; Y293-N324 HydrophobicContact CG-CB 4.07Å; Y293-N324 PolarHBondContact OH-ND2 3.36Å; A320-N324 WeakPolarHBondContact O-CB 3.26Å; A320-N324 PolarHBondContact O-N 2.89Å; A320-N324 PolarHBondContact O-ND2 3.02Å; S321-N324 PolarHBondContact O-N 3.37Å; S321-N324 VanDerWaalsContact O-N 3.16Å; H322-N324 PolarHBondContact O-N 2.7Å; N324-M327 WeakPolarHBondContact O-CB 3.48Å; N324-M327 PolarHBondContact O-N 3.14Å; N324-C328 PolarHBondContact O-N 2.96Å; N324-C328 PolarHBondContact O-SG 3.16Å
325	L	98.1	Very high	97.1	Very high	9 Å²	9	40.5 Å²	40.5	5%	0.047	21%	0.211	C	C	.	.	H	α-helix	trans	-57.2	-48.5	170.7	-73.7	170.7	0	0	0	110.9	L290 K294 V297 S321 H322 M327 C328 H329	L290-L325 HydrophobicContact CB-CD2 4.47Å; L290-L325 HydrophobicContact CD2-CB 4.48Å; L290-L325 HydrophobicContact CD2-CD2 3.5Å; K294-L325 HydrophobicContact CG-CD2 3.98Å; V297-L325 HydrophobicContact CG2-CD1 3.99Å; S321-L325 WeakPolarHBondContact O-CB 3.27Å; S321-L325 VanDerWaalsContact O-CG 3.3Å; S321-L325 WeakPolarHBondContact O-CG 3.41Å; S321-L325 PolarHBondContact O-N 2.87Å; H322-L325 PolarHBondContact O-N 3.41Å; L325-M327 VanDerWaalsContact C-N 3.27Å; L325-M327 PolarHBondContact O-N 3.13Å; L325-C328 PolarHBondContact O-N 3.46Å; L325-C328 VanDerWaalsContact O-N 3.11Å; L325-H329 PolarHBondContact O-N 3.47Å; L325-H329 PolarHBondContact O-ND1 3.34Å
326	A	98.3	Very high	97.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-57	-41.4	176.4	0	0	0	0	0	112	H322 L323 H329 L330 C342	H322-A326 WeakPolarHBondContact O-CB 3.48Å; H322-A326 PolarHBondContact O-N 3.04Å; L323-A326 WeakPolarHBondContact O-CB 3.37Å; L323-A326 PolarHBondContact O-N 3.35Å; A326-H329 PolarHBondContact O-N 3.15Å; A326-L330 WeakPolarHBondContact O-CG 3.35Å; A326-L330 PolarHBondContact O-N 3.43Å; A326-C342 VanDerWaalsContact CB-SG 3.59Å
327	M	98.2	Very high	97.3	Very high	43 Å²	43	39 Å²	39	21%	0.212	21%	0.208	C	C	.	.	H	α-helix	trans	-65.2	-41.3	176.7	-167.2	69.9	-160.4	0	0	112.6	F281 L323 N324 L325 L330 K331	F281-M327 HydrophobicContact CE1-CG 4.41Å; F281-M327 HydrophobicContact CE2-CB 4.26Å; F281-M327 HydrophobicContact CE2-CG 3.67Å; F281-M327 HydrophobicContact CZ-CB 4.43Å; F281-M327 HydrophobicContact CZ-CE 4.13Å; F281-M327 HydrophobicContact CZ-CG 3.42Å; F281-M327 VanDerWaalsContact CZ-CG 3.42Å; L323-M327 PolarHBondContact O-N 3.44Å; L323-M327 VanDerWaalsContact O-N 3.09Å; N324-M327 WeakPolarHBondContact O-CB 3.48Å; N324-M327 PolarHBondContact O-N 3.14Å; L325-M327 VanDerWaalsContact C-N 3.27Å; L325-M327 PolarHBondContact O-N 3.13Å; M327-L330 PolarHBondContact O-N 2.96Å; M327-K331 WeakPolarHBondContact O-CG 2.95Å; M327-K331 PolarHBondContact O-N 3.34Å; M327-K331 VanDerWaalsContact O-N 3.13Å
328	C	97.6	Very high	97.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.8	-45	176.5	-63.4	0	0	0	0	111.1	F281 L290 N324 L325 L330 K331 L332	F281-C328 VanDerWaalsContact CD2-SG 3.56Å; L290-C328 HydrophobicContact CD2-CB 3.41Å; L290-C328 VanDerWaalsContact CD2-CB 3.41Å; L290-C328 HydrophobicContact CG-CB 3.7Å; N324-C328 PolarHBondContact O-N 2.96Å; N324-C328 PolarHBondContact O-SG 3.16Å; L325-C328 PolarHBondContact O-N 3.46Å; L325-C328 VanDerWaalsContact O-N 3.11Å; C328-L330 PolarHBondContact O-N 2.91Å; C328-K331 WeakPolarHBondContact O-CB 3.44Å; C328-K331 PolarHBondContact O-N 3.44Å; C328-K331 VanDerWaalsContact O-N 3.14Å; C328-L332 WeakPolarHBondContact O-CG 3.49Å; C328-L332 PolarHBondContact O-N 3.19Å
329	H	98	Very high	97.5	Very high	19 Å²	19	36.9 Å²	36.9	9%	0.088	20%	0.201	C	C	.	.	H	α-helix	trans	-61.3	-41	176.4	-69	147.2	0	0	0	112.4	L290 L325 A326 K331 L332 Q333 A334 A337 A338 S341	L290-H329 WeakPolarHBondContact CD2-NE2 3.41Å; L325-H329 PolarHBondContact O-N 3.47Å; L325-H329 PolarHBondContact O-ND1 3.34Å; A326-H329 PolarHBondContact O-N 3.15Å; H329-K331 VanDerWaalsContact C-N 3.32Å; H329-K331 PolarHBondContact O-N 3.09Å; H329-L332 CarbonylContact O-C 3.58Å; H329-L332 PolarHBondContact O-N 3.44Å; H329-L332 VanDerWaalsContact O-N 3.16Å; H329-Q333 PolarHBondContact O-N 3.45Å; H329-A334 HydrophobicContact CB-CB 4.25Å; H329-A334 PolarHBondContact O-N 3.11Å; H329-A337 HydrophobicContact CB-CB 4.45Å; H329-A337 PolarHBondContact ND1-O 2.99Å; H329-A338 HydrophobicContact CB-CB 3.73Å; H329-S341 PolarHBondContact ND1-OG 3.37Å
330	L	97.3	Very high	97.5	Very high	28 Å²	28	41.6 Å²	41.6	15%	0.147	22%	0.222	C	C	.	.	H	α-helix	trans	-58.5	-42.7	172.6	-77.7	173.2	0	0	0	112	A326 M327 C328 L332 Q333 F335 A338 R358 E361 A362	A326-L330 WeakPolarHBondContact O-CG 3.35Å; A326-L330 PolarHBondContact O-N 3.43Å; M327-L330 PolarHBondContact O-N 2.96Å; C328-L330 PolarHBondContact O-N 2.91Å; L330-L332 VanDerWaalsContact C-N 3.29Å; L330-L332 PolarHBondContact O-N 3.01Å; L330-Q333 PolarHBondContact O-N 2.89Å; L330-F335 HydrophobicContact CD2-CD1 4.15Å; L330-F335 HydrophobicContact CD2-CE1 4.43Å; L330-A338 HydrophobicContact CD2-CB 4.18Å; L330-A338 HydrophobicContact CG-CB 4.04Å; L330-R358 HydrophobicContact CD1-CB 3.88Å; L330-R358 HydrophobicContact CD1-CG 3.96Å; L330-E361 HydrophobicContact CD1-CB 4.48Å; L330-E361 HydrophobicContact CD2-CB 4.4Å; L330-A362 HydrophobicContact CD2-CB 3.89Å
331	K	97.4	Very high	97.5	Very high	109 Å²	109	41.1 Å²	41.1	47%	0.474	22%	0.217	S	C	.	.	H	α-helix	trans	-66.6	-30.9	176.6	-70.6	-67.7	-178.6	-178.6	0	113.2	F281 Y286 M327 C328 H329 Q333	F281-K331 HydrophobicContact CE2-CG 4.14Å; F281-K331 HydrophobicContact CZ-CG 4.25Å; Y286-K331 HydrophobicContact CD1-CB 3.98Å; Y286-K331 HydrophobicContact CD1-CG 4.21Å; Y286-K331 HydrophobicContact CD2-CB 3.71Å; Y286-K331 HydrophobicContact CE1-CB 4Å; Y286-K331 HydrophobicContact CE1-CD 4.39Å; Y286-K331 HydrophobicContact CE1-CG 3.85Å; Y286-K331 HydrophobicContact CE2-CB 3.7Å; Y286-K331 HydrophobicContact CE2-CD 4.38Å; Y286-K331 HydrophobicContact CE2-CG 4.22Å; Y286-K331 HydrophobicContact CG-CB 3.86Å; M327-K331 WeakPolarHBondContact O-CG 2.95Å; M327-K331 PolarHBondContact O-N 3.34Å; M327-K331 VanDerWaalsContact O-N 3.13Å; C328-K331 WeakPolarHBondContact O-CB 3.44Å; C328-K331 PolarHBondContact O-N 3.44Å; C328-K331 VanDerWaalsContact O-N 3.14Å; H329-K331 VanDerWaalsContact C-N 3.32Å; H329-K331 PolarHBondContact O-N 3.09Å; K331-Q333 VanDerWaalsContact C-N 3.34Å
332	L	94.5	Very high	97.6	Very high	68 Å²	68	41.1 Å²	41.1	36%	0.356	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	2.7	176.2	-67.7	169.3	0	0	0	113.6	Y286 K287 L290 C328 H329 L330 A334	Y286-L332 HydrophobicContact CD2-CD2 4.38Å; K287-L332 HydrophobicContact CG-CD1 4.42Å; K287-L332 HydrophobicContact CG-CD2 4.43Å; L290-L332 HydrophobicContact CD1-CD1 3.45Å; L290-L332 VanDerWaalsContact CD1-CD1 3.45Å; L290-L332 HydrophobicContact CG-CD1 4.33Å; C328-L332 WeakPolarHBondContact O-CG 3.49Å; C328-L332 PolarHBondContact O-N 3.19Å; H329-L332 CarbonylContact O-C 3.58Å; H329-L332 PolarHBondContact O-N 3.44Å; H329-L332 VanDerWaalsContact O-N 3.16Å; L330-L332 VanDerWaalsContact C-N 3.29Å; L330-L332 PolarHBondContact O-N 3.01Å; L332-A334 PolarHBondContact O-N 2.95Å
333	Q	96.6	Very high	97.6	Very high	147 Å²	147	42.8 Å²	42.8	69%	0.687	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	21.4	-175.9	-52.5	-178.4	19	0	0	114.4	H329 L330 K331 F335	H329-Q333 PolarHBondContact O-N 3.45Å; L330-Q333 PolarHBondContact O-N 2.89Å; K331-Q333 VanDerWaalsContact C-N 3.34Å; Q333-F335 VanDerWaalsContact C-N 3.28Å; Q333-F335 HydrophobicContact CB-CE1 4.42Å; Q333-F335 HydrophobicContact CB-CE2 3.96Å; Q333-F335 HydrophobicContact CB-CZ 3.75Å; Q333-F335 HydrophobicContact CG-CZ 4.09Å; Q333-F335 WeakPolarHBondContact O-CD2 3.37Å; Q333-F335 WeakPolarHBondContact O-CE2 3.42Å; Q333-F335 PolarHBondContact O-N 3.3Å; Q333-F335 VanDerWaalsContact O-N 3.09Å
334	A	96.5	Very high	97.5	Very high	39 Å²	39	46.2 Å²	46.2	32%	0.322	24%	0.241	S	C	.	.			trans	-85.5	67.5	174.4	0	0	0	0	0	110.1	H329 L332 S336 A337 A338	H329-A334 HydrophobicContact CB-CB 4.25Å; H329-A334 PolarHBondContact O-N 3.11Å; L332-A334 PolarHBondContact O-N 2.95Å; A334-S336 PolarHBondContact O-N 2.95Å; A334-A337 HydrophobicContact CB-CB 4.35Å; A334-A337 PolarHBondContact O-N 3.19Å; A334-A338 PolarHBondContact O-N 3.07Å
335	F	97.5	Very high	97.5	Very high	50 Å²	50	44.4 Å²	44.4	22%	0.219	23%	0.231	C	C	.	.	H	α-helix	trans	-62.7	-37.9	-167.5	-55.9	-61.3	0	0	0	114.2	L330 Q333 A337 A338 I339 A362 A365 V366	L330-F335 HydrophobicContact CD2-CD1 4.15Å; L330-F335 HydrophobicContact CD2-CE1 4.43Å; Q333-F335 VanDerWaalsContact C-N 3.28Å; Q333-F335 HydrophobicContact CB-CE1 4.42Å; Q333-F335 HydrophobicContact CB-CE2 3.96Å; Q333-F335 HydrophobicContact CB-CZ 3.75Å; Q333-F335 HydrophobicContact CG-CZ 4.09Å; Q333-F335 WeakPolarHBondContact O-CD2 3.37Å; Q333-F335 WeakPolarHBondContact O-CE2 3.42Å; Q333-F335 PolarHBondContact O-N 3.3Å; Q333-F335 VanDerWaalsContact O-N 3.09Å; F335-A337 PolarHBondContact O-N 3.2Å; F335-A338 WeakPolarHBondContact O-CB 3.2Å; F335-A338 PolarHBondContact O-N 3.09Å; F335-I339 WeakPolarHBondContact O-CG1 3.4Å; F335-I339 PolarHBondContact O-N 3.37Å; F335-A362 HydrophobicContact CB-CB 4.48Å; F335-A365 HydrophobicContact CD1-CB 3.53Å; F335-A365 HydrophobicContact CD2-CB 4.08Å; F335-A365 HydrophobicContact CE1-CB 3.33Å; F335-A365 HydrophobicContact CE2-CB 3.9Å; F335-A365 HydrophobicContact CG-CB 3.91Å; F335-A365 HydrophobicContact CZ-CB 3.53Å; F335-V366 HydrophobicContact CB-CG1 3.47Å; F335-V366 VanDerWaalsContact CB-CG1 3.47Å; F335-V366 HydrophobicContact CD2-CG1 3.88Å; F335-V366 HydrophobicContact CG-CG1 3.95Å
336	S	96.9	Very high	97.5	Very high	85 Å²	85	44.8 Å²	44.8	59%	0.594	23%	0.234	S	C	*	.	H	α-helix	trans	-60.7	-47.2	176.4	-48.2	0	0	0	0	111.8	A334 A338 I339 E340	A334-S336 PolarHBondContact O-N 2.95Å; S336-A338 VanDerWaalsContact C-N 3.27Å; S336-A338 PolarHBondContact O-N 3.46Å; S336-I339 WeakPolarHBondContact O-CB 3.49Å; S336-I339 PolarHBondContact O-N 2.83Å; S336-I339 VanDerWaalsContact O-N 3.14Å; S336-E340 PolarHBondContact O-N 2.85Å
337	A	96.9	Very high	97.4	Very high	27 Å²	27	51 Å²	51	22%	0.223	26%	0.263	C	S	.	.	H	α-helix	trans	-66.2	-29.7	176.9	0	0	0	0	0	112.4	H329 A334 F335 S341	H329-A337 HydrophobicContact CB-CB 4.45Å; H329-A337 PolarHBondContact ND1-O 2.99Å; A334-A337 HydrophobicContact CB-CB 4.35Å; A334-A337 PolarHBondContact O-N 3.19Å; F335-A337 PolarHBondContact O-N 3.2Å; A337-S341 WeakPolarHBondContact O-CB 3.45Å; A337-S341 PolarHBondContact O-N 3.45Å; A337-S341 PolarHBondContact O-OG 3.4Å
338	A	98.2	Very high	97.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.9	-43.4	171.8	0	0	0	0	0	111.7	H329 L330 A334 F335 S336 S341 C342 A362	H329-A338 HydrophobicContact CB-CB 3.73Å; L330-A338 HydrophobicContact CD2-CB 4.18Å; L330-A338 HydrophobicContact CG-CB 4.04Å; A334-A338 PolarHBondContact O-N 3.07Å; F335-A338 WeakPolarHBondContact O-CB 3.2Å; F335-A338 PolarHBondContact O-N 3.09Å; S336-A338 VanDerWaalsContact C-N 3.27Å; S336-A338 PolarHBondContact O-N 3.46Å; A338-S341 PolarHBondContact O-N 3.29Å; A338-C342 PolarHBondContact O-N 3.42Å; A338-C342 PolarHBondContact O-SG 3.45Å; A338-A362 HydrophobicContact CB-CB 4.08Å
339	I	98.3	Very high	97.1	Very high	25 Å²	25	53.7 Å²	53.7	13%	0.128	28%	0.277	C	S	.	.	H	α-helix	trans	-62.1	-47.6	176.9	-66.9	161.9	0	0	0	110.6	F335 S336 S341 C342 N343 R359 A362	F335-I339 WeakPolarHBondContact O-CG1 3.4Å; F335-I339 PolarHBondContact O-N 3.37Å; S336-I339 WeakPolarHBondContact O-CB 3.49Å; S336-I339 PolarHBondContact O-N 2.83Å; S336-I339 VanDerWaalsContact O-N 3.14Å; I339-S341 PolarHBondContact O-N 2.94Å; I339-C342 WeakPolarHBondContact O-CB 3.5Å; I339-C342 PolarHBondContact O-N 2.93Å; I339-N343 VanDerWaalsContact O-CG 3.31Å; I339-N343 PolarHBondContact O-N 3.31Å; I339-R359 HydrophobicContact CG1-CG 4.45Å; I339-R359 HydrophobicContact CG2-CG 4.25Å; I339-A362 HydrophobicContact CD1-CB 4.23Å; I339-A362 HydrophobicContact CG1-CB 3.6Å
340	E	97.8	Very high	97.1	Very high	129 Å²	129	56 Å²	56	60%	0.603	30%	0.296	S	S	*	.	H	α-helix	trans	-58.4	-46.1	176.8	-71.5	171.9	-169.2	0	0	112.1	S336 C342 N343 K344	S336-E340 PolarHBondContact O-N 2.85Å; E340-C342 VanDerWaalsContact C-N 3.31Å; E340-C342 PolarHBondContact O-N 2.81Å; E340-N343 PolarHBondContact O-N 3.17Å; E340-N343 VanDerWaalsContact O-N 3.17Å; E340-K344 PolarHBondContact O-N 3.48Å
341	S	98.1	Very high	97	Very high	12 Å²	12	58 Å²	58	8%	0.084	31%	0.307	C	S	.	.	H	α-helix	trans	-61.5	-39.7	176.8	-60.2	0	0	0	0	111.6	H329 A337 A338 I339 A345	H329-S341 PolarHBondContact ND1-OG 3.37Å; A337-S341 WeakPolarHBondContact O-CB 3.45Å; A337-S341 PolarHBondContact O-N 3.45Å; A337-S341 PolarHBondContact O-OG 3.4Å; A338-S341 PolarHBondContact O-N 3.29Å; I339-S341 PolarHBondContact O-N 2.94Å; S341-A345 PolarHBondContact O-N 2.93Å
342	C	98.3	Very high	97	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.1	-40.1	173.8	-79.3	0	0	0	0	112.8	A326 A338 I339 E340 K344 A345 L346 G355 R359	A326-C342 VanDerWaalsContact CB-SG 3.59Å; A338-C342 PolarHBondContact O-N 3.42Å; A338-C342 PolarHBondContact O-SG 3.45Å; I339-C342 WeakPolarHBondContact O-CB 3.5Å; I339-C342 PolarHBondContact O-N 2.93Å; E340-C342 VanDerWaalsContact C-N 3.31Å; E340-C342 PolarHBondContact O-N 2.81Å; C342-K344 VanDerWaalsContact C-N 3.35Å; C342-K344 PolarHBondContact O-N 3.33Å; C342-A345 WeakPolarHBondContact O-CB 3.3Å; C342-A345 PolarHBondContact O-N 2.81Å; C342-L346 WeakPolarHBondContact O-CB 3.46Å; C342-L346 VanDerWaalsContact O-CG 3.24Å; C342-L346 WeakPolarHBondContact O-CG 3.47Å; C342-L346 PolarHBondContact O-N 3.48Å; C342-G355 PolarHBondContact SG-O 2.92Å; C342-R359 HydrophobicContact CB-CB 3.66Å; C342-R359 HydrophobicContact CB-CG 3.99Å; C342-R359 PolarHBondContact SG-N 3.16Å; C342-R359 VanDerWaalsContact SG-N 3.45Å
343	N	98.1	Very high	97.2	Very high	57 Å²	57	53.8 Å²	53.8	31%	0.305	29%	0.287	S	S	.	.	H	α-helix	trans	-60.6	-45.9	176.4	-70	-19.6	0	0	0	110.7	I339 E340 A345 L346 E347 R359	I339-N343 VanDerWaalsContact O-CG 3.31Å; I339-N343 PolarHBondContact O-N 3.31Å; E340-N343 PolarHBondContact O-N 3.17Å; E340-N343 VanDerWaalsContact O-N 3.17Å; N343-A345 VanDerWaalsContact C-N 3.33Å; N343-A345 PolarHBondContact O-N 3.39Å; N343-L346 CarbonylContact O-C 3.6Å; N343-L346 PolarHBondContact O-N 3.41Å; N343-E347 WeakPolarHBondContact O-CG 3.2Å; N343-E347 PolarHBondContact O-N 3.41Å; N343-R359 WeakPolarHBondContact OD1-CD 3.46Å; N343-R359 PolarHBondContact OD1-NH1 2.98Å
344	K	97.4	Very high	97.2	Very high	85 Å²	85	52.6 Å²	52.6	37%	0.37	28%	0.28	S	S	.	.	H	α-helix	trans	-60.4	-38.4	173.7	-68.5	-57.9	-176.5	-172.8	0	113.5	H322 E340 C342 L346 E347	H322-K344 HydrophobicContact CB-CB 4.49Å; E340-K344 PolarHBondContact O-N 3.48Å; C342-K344 VanDerWaalsContact C-N 3.35Å; C342-K344 PolarHBondContact O-N 3.33Å; K344-L346 VanDerWaalsContact C-N 3.35Å; K344-E347 VanDerWaalsContact CD-OE2 3.27Å; K344-E347 WeakPolarHBondContact CD-OE2 3.5Å; K344-E347 IonicContact NZ-OE1 2.93Å; K344-E347 PolarHBondContact NZ-OE1 3.5Å; K344-E347 IonicContact NZ-OE2 3.5Å; K344-E347 PolarHBondContact NZ-OE2 3.49Å
345	A	97.7	Very high	97.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.8	-40	172.3	0	0	0	0	0	112.3	L319 H322 L323 S341 C342 N343 L348 D349	L319-A345 HydrophobicContact CD1-CB 3.91Å; L319-A345 WeakPolarHBondContact CD1-O 3.41Å; H322-A345 HydrophobicContact CB-CB 3.9Å; L323-A345 HydrophobicContact CD2-CB 3.74Å; L323-A345 HydrophobicContact CG-CB 3.99Å; S341-A345 PolarHBondContact O-N 2.93Å; C342-A345 WeakPolarHBondContact O-CB 3.3Å; C342-A345 PolarHBondContact O-N 2.81Å; N343-A345 VanDerWaalsContact C-N 3.33Å; N343-A345 PolarHBondContact O-N 3.39Å; A345-L348 PolarHBondContact O-N 3.21Å; A345-D349 PolarHBondContact O-N 3.05Å
346	L	97.4	Very high	97.3	Very high	18 Å²	18	48.4 Å²	48.4	9%	0.094	26%	0.255	C	S	.	.	H	α-helix	trans	-78.1	-22.1	-178.6	-65.5	168.9	0	0	0	113.6	C342 N343 K344 L348 D349 S350 N352 L356 R359	C342-L346 WeakPolarHBondContact O-CB 3.46Å; C342-L346 VanDerWaalsContact O-CG 3.24Å; C342-L346 WeakPolarHBondContact O-CG 3.47Å; C342-L346 PolarHBondContact O-N 3.48Å; N343-L346 CarbonylContact O-C 3.6Å; N343-L346 PolarHBondContact O-N 3.41Å; K344-L346 VanDerWaalsContact C-N 3.35Å; L346-L348 VanDerWaalsContact C-N 3.25Å; L346-D349 WeakPolarHBondContact CA-O 3.47Å; L346-D349 WeakPolarHBondContact CD2-O 3.45Å; L346-D349 CarbonylContact O-C 3.57Å; L346-S350 WeakPolarHBondContact O-CA 3.48Å; L346-S350 PolarHBondContact O-N 3.18Å; L346-N352 HydrophobicContact CD2-CB 4.15Å; L346-L356 HydrophobicContact CD1-CD2 3.8Å; L346-L356 HydrophobicContact CD1-CG 4.42Å; L346-L356 HydrophobicContact CD2-CD2 3.9Å; L346-L356 HydrophobicContact CD2-CG 3.79Å; L346-R359 VanDerWaalsContact CD1-CZ 3.46Å
347	E	96.4	Very high	97.4	Very high	131 Å²	131	45.8 Å²	45.8	61%	0.612	23%	0.232	S	C	*	.	H	α-helix	trans	-62.1	-36.1	165.8	-75.1	169.5	-158	0	0	110.8	N343 K344	N343-E347 WeakPolarHBondContact O-CG 3.2Å; N343-E347 PolarHBondContact O-N 3.41Å; K344-E347 VanDerWaalsContact CD-OE2 3.27Å; K344-E347 WeakPolarHBondContact CD-OE2 3.5Å; K344-E347 IonicContact NZ-OE1 2.93Å; K344-E347 PolarHBondContact NZ-OE1 3.5Å; K344-E347 IonicContact NZ-OE2 3.5Å; K344-E347 PolarHBondContact NZ-OE2 3.49Å
348	L	94.1	Very high	97.5	Very high	45 Å²	45	46.1 Å²	46.1	24%	0.236	23%	0.228	C	C	.	.	H	α-helix	trans	-84.3	-34.6	178.4	-60.2	176.1	0	0	0	113.3	Q315 R318 L319 A345 L346	Q315-L348 HydrophobicContact CG-CD2 4.39Å; Q315-L348 PolarHBondContact NE2-O 3.06Å; R318-L348 HydrophobicContact CB-CD1 3.7Å; L319-L348 HydrophobicContact CB-CD1 4.18Å; L319-L348 HydrophobicContact CD1-CB 4.42Å; A345-L348 PolarHBondContact O-N 3.21Å; L346-L348 VanDerWaalsContact C-N 3.25Å
349	D	96.4	Very high	97.5	Very high	53 Å²	53	48.5 Å²	48.5	28%	0.283	24%	0.237	S	C	.	.			trans	-145.5	91.8	176.9	174.7	9.3	0	0	0	110.3	L319 A345 L346 N351 N352	L319-D349 HydrophobicContact CD1-CB 4.11Å; L319-D349 HydrophobicContact CD2-CB 3.9Å; A345-D349 PolarHBondContact O-N 3.05Å; L346-D349 WeakPolarHBondContact CA-O 3.47Å; L346-D349 WeakPolarHBondContact CD2-O 3.45Å; L346-D349 CarbonylContact O-C 3.57Å; D349-N351 PolarHBondContact O-N 2.84Å; D349-N351 PolarHBondContact OD1-N 3.46Å; D349-N352 HydrophobicContact CB-CB 4.08Å; D349-N352 WeakPolarHBondContact O-CB 3.24Å; D349-N352 PolarHBondContact O-N 2.9Å; D349-N352 PolarHBondContact OD1-N 2.69Å; D349-N352 VanDerWaalsContact OD2-CB 3.32Å; D349-N352 WeakPolarHBondContact OD2-CB 3.42Å; D349-N352 PolarHBondContact OD2-ND2 3.13Å
350	S	96.9	Very high	97.5	Very high	68 Å²	68	47.3 Å²	47.3	48%	0.476	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-14.3	-174.5	66.9	0	0	0	0	115.7	L346 K378	L346-S350 WeakPolarHBondContact O-CA 3.48Å; L346-S350 PolarHBondContact O-N 3.18Å; S350-K378 PolarHBondContact O-NZ 3.46Å
351	N	96.4	Very high	97.5	Very high	71 Å²	71	44 Å²	44	38%	0.38	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	8.2	-178.1	-70.5	-28.4	0	0	0	112.4	D349 E353 L382 Y383	D349-N351 PolarHBondContact O-N 2.84Å; D349-N351 PolarHBondContact OD1-N 3.46Å; N351-E353 PolarHBondContact O-N 3.43Å; N351-E353 VanDerWaalsContact O-N 3.12Å; N351-L382 HydrophobicContact CB-CD1 3.82Å; N351-Y383 WeakPolarHBondContact O-CE2 3.2Å; N351-Y383 PolarHBondContact O-OH 3.17Å
352	N	97.8	Very high	97.5	Very high	22 Å²	22	43.4 Å²	43.4	12%	0.118	21%	0.211	C	C	.	.			trans	-59.3	117.3	-176.2	-162.7	-89.8	0	0	0	112.7	L323 L346 D349 K354 G355 L356	L323-N352 WeakPolarHBondContact CD1-OD1 3.43Å; L346-N352 HydrophobicContact CD2-CB 4.15Å; D349-N352 HydrophobicContact CB-CB 4.08Å; D349-N352 WeakPolarHBondContact O-CB 3.24Å; D349-N352 PolarHBondContact O-N 2.9Å; D349-N352 PolarHBondContact OD1-N 2.69Å; D349-N352 VanDerWaalsContact OD2-CB 3.32Å; D349-N352 WeakPolarHBondContact OD2-CB 3.42Å; D349-N352 PolarHBondContact OD2-ND2 3.13Å; N352-K354 VanDerWaalsContact C-N 3.34Å; N352-K354 PolarHBondContact O-N 2.65Å; N352-K354 PolarHBondContact OD1-N 3.37Å; N352-G355 PolarHBondContact O-N 2.93Å; N352-G355 PolarHBondContact OD1-N 3.29Å; N352-L356 PolarHBondContact O-N 3.42Å
353	E	97.6	Very high	97.5	Very high	65 Å²	65	44.3 Å²	44.3	30%	0.304	22%	0.216	S	C	.	.	H	α-helix	trans	-53.6	-48.7	-179.6	-170.6	-179	-165.1	0	0	112.2	N351 F357 V379 Y383 N386	N351-E353 PolarHBondContact O-N 3.43Å; N351-E353 VanDerWaalsContact O-N 3.12Å; E353-F357 WeakPolarHBondContact O-CB 3.35Å; E353-F357 PolarHBondContact O-N 3.42Å; E353-V379 HydrophobicContact CG-CG1 4.27Å; E353-Y383 HydrophobicContact CB-CD1 4.4Å; E353-Y383 HydrophobicContact CB-CD2 3.69Å; E353-Y383 HydrophobicContact CB-CE1 4.19Å; E353-Y383 HydrophobicContact CB-CE2 3.45Å; E353-Y383 VanDerWaalsContact CB-CE2 3.45Å; E353-Y383 HydrophobicContact CB-CG 4.17Å; E353-Y383 HydrophobicContact CG-CD1 4.4Å; E353-Y383 HydrophobicContact CG-CD2 3.61Å; E353-Y383 HydrophobicContact CG-CE2 3.95Å; E353-Y383 HydrophobicContact CG-CG 3.86Å; E353-N386 PolarHBondContact OE1-ND2 3.38Å
354	K	97.4	Very high	97.4	Very high	122 Å²	122	42.4 Å²	42.4	53%	0.53	21%	0.205	S	C	.	.	H	α-helix	trans	-69.1	-38.9	-176.9	-67.4	177.2	-178.5	171.6	0	111.4	L323 N352 R358	L323-K354 HydrophobicContact CD1-CB 4.41Å; L323-K354 HydrophobicContact CD2-CB 4.06Å; N352-K354 VanDerWaalsContact C-N 3.34Å; N352-K354 PolarHBondContact O-N 2.65Å; N352-K354 PolarHBondContact OD1-N 3.37Å; K354-R358 VanDerWaalsContact O-CB 3.23Å; K354-R358 WeakPolarHBondContact O-CB 3.34Å; K354-R358 WeakPolarHBondContact O-CD 3.11Å; K354-R358 WeakPolarHBondContact O-CG 3.4Å; K354-R358 PolarHBondContact O-N 3.34Å
355	G	97.6	Very high	97.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.3	-53.2	178.2	0	0	0	0	0	111.8	L323 C342 N352 R359	L323-G355 VanDerWaalsContact CD2-CA 3.49Å; C342-G355 PolarHBondContact SG-O 2.92Å; N352-G355 PolarHBondContact O-N 2.93Å; N352-G355 PolarHBondContact OD1-N 3.29Å; G355-R359 WeakPolarHBondContact O-CB 3.33Å; G355-R359 PolarHBondContact O-N 3.28Å
356	L	98.3	Very high	97.2	Very high	1 Å²	1	43 Å²	43	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-61.8	-46.3	177.5	-67.2	170.8	0	0	0	111.5	L346 N352 R359 G360 K378 V379 L382	L346-L356 HydrophobicContact CD1-CD2 3.8Å; L346-L356 HydrophobicContact CD1-CG 4.42Å; L346-L356 HydrophobicContact CD2-CD2 3.9Å; L346-L356 HydrophobicContact CD2-CG 3.79Å; N352-L356 PolarHBondContact O-N 3.42Å; L356-R359 PolarHBondContact O-N 2.98Å; L356-G360 PolarHBondContact O-N 3.3Å; L356-K378 HydrophobicContact CD1-CB 4.34Å; L356-K378 HydrophobicContact CD1-CD 3.91Å; L356-K378 HydrophobicContact CD1-CG 3.87Å; L356-K378 HydrophobicContact CD2-CD 3.88Å; L356-V379 HydrophobicContact CB-CG2 3.48Å; L356-V379 VanDerWaalsContact CB-CG2 3.48Å; L356-V379 HydrophobicContact CD1-CG2 4.42Å; L356-L382 HydrophobicContact CD1-CD1 4.11Å
357	F	98.3	Very high	97	Very high	30 Å²	30	46.2 Å²	46.2	13%	0.132	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-48	-178.5	-174.4	-91.7	0	0	0	112.2	E353 R359 G360 E361 F376 V379 A388 A389 Q392	E353-F357 WeakPolarHBondContact O-CB 3.35Å; E353-F357 PolarHBondContact O-N 3.42Å; F357-R359 VanDerWaalsContact C-N 3.34Å; F357-R359 PolarHBondContact O-N 2.88Å; F357-G360 PolarHBondContact O-N 3.34Å; F357-E361 HydrophobicContact CD1-CG 4.23Å; F357-E361 HydrophobicContact CE1-CG 3.84Å; F357-E361 WeakPolarHBondContact CE1-OE1 3.38Å; F357-E361 WeakPolarHBondContact CE1-OE2 3.39Å; F357-E361 HydrophobicContact CZ-CG 4.3Å; F357-E361 PolarHBondContact O-N 3.1Å; F357-F376 AromaticContact CD2-CD1 3.93Å; F357-F376 HydrophobicContact CD2-CD1 3.93Å; F357-F376 AromaticContact CD2-CE1 3.73Å; F357-F376 HydrophobicContact CD2-CE1 3.73Å; F357-F376 HydrophobicContact CE2-CD1 4.09Å; F357-F376 AromaticContact CE2-CE1 3.71Å; F357-F376 HydrophobicContact CE2-CE1 3.71Å; F357-F376 HydrophobicContact CG-CE1 4.32Å; F357-F376 HydrophobicContact CZ-CE1 4.31Å; F357-V379 HydrophobicContact CB-CG2 4.21Å; F357-A388 HydrophobicContact CE2-CB 3.78Å; F357-A388 HydrophobicContact CZ-CB 3.65Å; F357-A389 HydrophobicContact CD2-CB 4.03Å; F357-A389 HydrophobicContact CE2-CB 4.06Å; F357-Q392 HydrophobicContact CZ-CG 4.42Å
358	R	98.4	Very high	97	Very high	35 Å²	35	43.4 Å²	43.4	13%	0.132	23%	0.227	C	C	.	.	H	α-helix	trans	-66.2	-34.6	179.3	-72.7	171.7	178.5	170.7	-0.6	112.5	L323 L330 K354 E361 A362	L323-R358 PolarHBondContact O-NH1 3.42Å; L330-R358 HydrophobicContact CD1-CB 3.88Å; L330-R358 HydrophobicContact CD1-CG 3.96Å; K354-R358 VanDerWaalsContact O-CB 3.23Å; K354-R358 WeakPolarHBondContact O-CB 3.34Å; K354-R358 WeakPolarHBondContact O-CD 3.11Å; K354-R358 WeakPolarHBondContact O-CG 3.4Å; K354-R358 PolarHBondContact O-N 3.34Å; R358-E361 PolarHBondContact O-N 3.5Å; R358-A362 PolarHBondContact O-N 3.15Å
359	R	98.5	Very high	97	Very high	49 Å²	49	42.1 Å²	42.1	19%	0.185	22%	0.219	C	C	.	.	H	α-helix	trans	-66.4	-42.4	174.6	-163.4	173.2	63.9	-177.9	-0.3	111.1	I339 C342 N343 L346 G355 L356 F357 E361 A362 H363 D375	I339-R359 HydrophobicContact CG1-CG 4.45Å; I339-R359 HydrophobicContact CG2-CG 4.25Å; C342-R359 HydrophobicContact CB-CB 3.66Å; C342-R359 HydrophobicContact CB-CG 3.99Å; C342-R359 PolarHBondContact SG-N 3.16Å; C342-R359 VanDerWaalsContact SG-N 3.45Å; N343-R359 WeakPolarHBondContact OD1-CD 3.46Å; N343-R359 PolarHBondContact OD1-NH1 2.98Å; L346-R359 VanDerWaalsContact CD1-CZ 3.46Å; G355-R359 WeakPolarHBondContact O-CB 3.33Å; G355-R359 PolarHBondContact O-N 3.28Å; L356-R359 PolarHBondContact O-N 2.98Å; F357-R359 VanDerWaalsContact C-N 3.34Å; F357-R359 PolarHBondContact O-N 2.88Å; R359-E361 VanDerWaalsContact C-N 3.33Å; R359-E361 PolarHBondContact O-N 2.93Å; R359-A362 PolarHBondContact O-N 3.28Å; R359-H363 PolarHBondContact O-CD2 2.67Å; R359-H363 PolarHBondContact O-N 3.22Å; R359-D375 WeakPolarHBondContact CB-OD2 3.29Å; R359-D375 WeakPolarHBondContact CG-OD2 3.34Å; R359-D375 IonicContact CZ-OD1 2.7Å; R359-D375 IonicContact CZ-OD2 2.71Å; R359-D375 IonicContact NE-OD1 3.03Å; R359-D375 PolarHBondContact NE-OD1 3.1Å; R359-D375 IonicContact NE-OD2 3.9Å; R359-D375 PolarHBondContact NE-OD2 3.33Å; R359-D375 IonicContact NH2-OD1 3.43Å; R359-D375 PolarHBondContact NH2-OD1 3.49Å; R359-D375 IonicContact NH2-OD2 3.8Å
360	G	97.9	Very high	97	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.7	-40.7	172.4	0	0	0	0	0	112.9	L356 F357 L364 A372 D375	L356-G360 PolarHBondContact O-N 3.3Å; F357-G360 PolarHBondContact O-N 3.34Å; G360-L364 VanDerWaalsContact O-CB 3.27Å; G360-L364 WeakPolarHBondContact O-CB 3.5Å; G360-L364 PolarHBondContact O-N 3.01Å; G360-A372 WeakPolarHBondContact O-CB 3.44Å; G360-D375 PolarHBondContact N-OD2 3.11Å
361	E	98.1	Very high	97	Very high	59 Å²	59	44.8 Å²	44.8	28%	0.276	23%	0.225	S	C	.	.	H	α-helix	trans	-62.9	-42.5	173.7	-71.9	-170.7	127.3	0	0	112.3	L330 F357 R358 R359 L364 A365 F376	L330-E361 HydrophobicContact CD1-CB 4.48Å; L330-E361 HydrophobicContact CD2-CB 4.4Å; F357-E361 HydrophobicContact CD1-CG 4.23Å; F357-E361 HydrophobicContact CE1-CG 3.84Å; F357-E361 WeakPolarHBondContact CE1-OE1 3.38Å; F357-E361 WeakPolarHBondContact CE1-OE2 3.39Å; F357-E361 HydrophobicContact CZ-CG 4.3Å; F357-E361 PolarHBondContact O-N 3.1Å; R358-E361 PolarHBondContact O-N 3.5Å; R359-E361 VanDerWaalsContact C-N 3.33Å; R359-E361 PolarHBondContact O-N 2.93Å; E361-L364 PolarHBondContact O-N 3.34Å; E361-A365 WeakPolarHBondContact O-CB 3.4Å; E361-A365 PolarHBondContact O-N 3.5Å; E361-F376 HydrophobicContact CG-CE1 4.38Å; E361-F376 HydrophobicContact CG-CZ 4.12Å
362	A	98	Very high	97.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.7	-46.9	178	0	0	0	0	0	112.1	L330 F335 A338 I339 R358 R359 L364 A365 V366	L330-A362 HydrophobicContact CD2-CB 3.89Å; F335-A362 HydrophobicContact CB-CB 4.48Å; A338-A362 HydrophobicContact CB-CB 4.08Å; I339-A362 HydrophobicContact CD1-CB 4.23Å; I339-A362 HydrophobicContact CG1-CB 3.6Å; R358-A362 PolarHBondContact O-N 3.15Å; R359-A362 PolarHBondContact O-N 3.28Å; A362-L364 VanDerWaalsContact C-N 3.32Å; A362-L364 PolarHBondContact O-N 3.26Å; A362-A365 WeakPolarHBondContact O-CB 3.43Å; A362-A365 PolarHBondContact O-N 3.2Å; A362-A365 VanDerWaalsContact O-N 3.15Å; A362-V366 PolarHBondContact O-N 3.13Å; A362-V366 VanDerWaalsContact O-N 3.16Å
363	H	98.3	Very high	97	Very high	20 Å²	20	44.7 Å²	44.7	9%	0.093	22%	0.218	C	C	.	.	H	α-helix	trans	-58.8	-42.9	174.3	-80	-56.2	0	0	0	112	R359 A365 V366 N367 D368 L371 A372 D375	R359-H363 PolarHBondContact O-CD2 2.67Å; R359-H363 PolarHBondContact O-N 3.22Å; H363-A365 VanDerWaalsContact C-N 3.26Å; H363-A365 PolarHBondContact O-N 2.88Å; H363-V366 VanDerWaalsContact O-CG2 3.3Å; H363-V366 WeakPolarHBondContact O-CG2 3.5Å; H363-V366 PolarHBondContact O-N 2.92Å; H363-N367 PolarHBondContact O-N 3.31Å; H363-N367 VanDerWaalsContact O-N 3.17Å; H363-D368 HydrophobicContact CB-CB 4.08Å; H363-D368 IonicContact ND1-OD2 2.68Å; H363-D368 PolarHBondContact ND1-OD2 2.95Å; H363-D368 PolarHBondContact O-N 3.21Å; H363-L371 HydrophobicContact CB-CB 4.28Å; H363-A372 HydrophobicContact CB-CB 3.82Å; H363-D375 IonicContact CD2-OD2 3.25Å
364	L	96.1	Very high	97	Very high	16 Å²	16	44 Å²	44	8%	0.084	22%	0.223	C	C	.	.	H	α-helix	trans	-62.1	-36.5	177.5	-179.6	57.4	0	0	0	111.8	G360 E361 A362 N367 F369 A372 F376 V395	G360-L364 VanDerWaalsContact O-CB 3.27Å; G360-L364 WeakPolarHBondContact O-CB 3.5Å; G360-L364 PolarHBondContact O-N 3.01Å; E361-L364 PolarHBondContact O-N 3.34Å; A362-L364 VanDerWaalsContact C-N 3.32Å; A362-L364 PolarHBondContact O-N 3.26Å; L364-N367 PolarHBondContact O-N 2.93Å; L364-F369 HydrophobicContact CD1-CD1 3.75Å; L364-F369 HydrophobicContact CD1-CE1 4.04Å; L364-A372 HydrophobicContact CB-CB 3.89Å; L364-F376 HydrophobicContact CD2-CE2 4.3Å; L364-V395 HydrophobicContact CD2-CG1 4.37Å
365	A	95.6	Very high	97.1	Very high	45 Å²	45	38.6 Å²	38.6	37%	0.372	20%	0.2	S	C	.	.	H	α-helix	trans	-69.4	-33.3	178.6	0	0	0	0	0	113.3	F335 E361 A362 H363 N367	F335-A365 HydrophobicContact CD1-CB 3.53Å; F335-A365 HydrophobicContact CD2-CB 4.08Å; F335-A365 HydrophobicContact CE1-CB 3.33Å; F335-A365 HydrophobicContact CE2-CB 3.9Å; F335-A365 HydrophobicContact CG-CB 3.91Å; F335-A365 HydrophobicContact CZ-CB 3.53Å; E361-A365 WeakPolarHBondContact O-CB 3.4Å; E361-A365 PolarHBondContact O-N 3.5Å; A362-A365 WeakPolarHBondContact O-CB 3.43Å; A362-A365 PolarHBondContact O-N 3.2Å; A362-A365 VanDerWaalsContact O-N 3.15Å; H363-A365 VanDerWaalsContact C-N 3.26Å; H363-A365 PolarHBondContact O-N 2.88Å; A365-N367 VanDerWaalsContact C-N 3.3Å
366	V	95.4	Very high	97.1	Very high	52 Å²	52	38.6 Å²	38.6	32%	0.315	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	5	174.3	-60	0	0	0	0	113.9	F335 A362 H363 D368	F335-V366 HydrophobicContact CB-CG1 3.47Å; F335-V366 VanDerWaalsContact CB-CG1 3.47Å; F335-V366 HydrophobicContact CD2-CG1 3.88Å; F335-V366 HydrophobicContact CG-CG1 3.95Å; A362-V366 PolarHBondContact O-N 3.13Å; A362-V366 VanDerWaalsContact O-N 3.16Å; H363-V366 VanDerWaalsContact O-CG2 3.3Å; H363-V366 WeakPolarHBondContact O-CG2 3.5Å; H363-V366 PolarHBondContact O-N 2.92Å; V366-D368 HydrophobicContact CG2-CB 4.28Å
367	N	94	Very high	97.1	Very high	87 Å²	87	42.8 Å²	42.8	47%	0.465	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	20.4	-178.3	-53.7	-63.9	0	0	0	116.1	H363 L364 A365 F369 R399	H363-N367 PolarHBondContact O-N 3.31Å; H363-N367 VanDerWaalsContact O-N 3.17Å; L364-N367 PolarHBondContact O-N 2.93Å; A365-N367 VanDerWaalsContact C-N 3.3Å; N367-F369 VanDerWaalsContact C-N 3.27Å; N367-F369 HydrophobicContact CB-CE1 3.92Å; N367-F369 HydrophobicContact CB-CE2 4.07Å; N367-F369 HydrophobicContact CB-CZ 3.52Å; N367-F369 WeakPolarHBondContact O-CD2 3.47Å; N367-F369 PolarHBondContact O-N 3.18Å; N367-F369 WeakPolarHBondContact OD1-CZ 3.47Å; N367-R399 PolarHBondContact OD1-NH1 3.34Å
368	D	95.4	Very high	97	Very high	71 Å²	71	44.9 Å²	44.9	38%	0.38	23%	0.228	S	C	.	.			trans	-81.9	72.1	169.6	-71.2	-27.7	0	0	0	110.3	H363 V366 E370 L371 A372	H363-D368 HydrophobicContact CB-CB 4.08Å; H363-D368 IonicContact ND1-OD2 2.68Å; H363-D368 PolarHBondContact ND1-OD2 2.95Å; H363-D368 PolarHBondContact O-N 3.21Å; V366-D368 HydrophobicContact CG2-CB 4.28Å; D368-E370 VanDerWaalsContact C-N 3.32Å; D368-E370 PolarHBondContact O-N 3.45Å; D368-L371 HydrophobicContact CB-CB 4.26Å; D368-L371 HydrophobicContact CB-CD1 4.23Å; D368-L371 PolarHBondContact O-N 3.44Å; D368-A372 WeakPolarHBondContact O-CB 3.35Å; D368-A372 PolarHBondContact O-N 3.27Å
369	F	95.2	Very high	97	Very high	18 Å²	18	43.2 Å²	43.2	8%	0.079	22%	0.222	C	C	.	.	H	α-helix	trans	-66.2	-33	-169.6	-51.1	-55.8	0	0	0	113.5	L364 N367 R373 R399 I400	L364-F369 HydrophobicContact CD1-CD1 3.75Å; L364-F369 HydrophobicContact CD1-CE1 4.04Å; N367-F369 VanDerWaalsContact C-N 3.27Å; N367-F369 HydrophobicContact CB-CE1 3.92Å; N367-F369 HydrophobicContact CB-CE2 4.07Å; N367-F369 HydrophobicContact CB-CZ 3.52Å; N367-F369 WeakPolarHBondContact O-CD2 3.47Å; N367-F369 PolarHBondContact O-N 3.18Å; N367-F369 WeakPolarHBondContact OD1-CZ 3.47Å; F369-R373 WeakPolarHBondContact O-CB 3.5Å; F369-R373 PolarHBondContact O-N 2.89Å; F369-R399 HydrophobicContact CD1-CB 3.88Å; F369-R399 HydrophobicContact CD1-CG 4.5Å; F369-R399 HydrophobicContact CD2-CB 4.23Å; F369-R399 HydrophobicContact CE1-CB 3.9Å; F369-R399 HydrophobicContact CE1-CG 4.19Å; F369-R399 HydrophobicContact CE2-CB 4.21Å; F369-R399 HydrophobicContact CG-CB 4.06Å; F369-R399 HydrophobicContact CZ-CB 4.05Å; F369-R399 HydrophobicContact CZ-CG 4.48Å; F369-I400 HydrophobicContact CB-CD1 4.01Å; F369-I400 HydrophobicContact CB-CG1 3.47Å; F369-I400 VanDerWaalsContact CB-CG1 3.47Å; F369-I400 HydrophobicContact CG-CG1 4.37Å
370	E	95.5	Very high	96.9	Very high	87 Å²	87	42.6 Å²	42.6	41%	0.407	22%	0.222	S	C	.	.	H	α-helix	trans	-65.4	-45.6	178.5	-74.1	65.1	-148.7	0	0	111.4	D368 R373 A374	D368-E370 VanDerWaalsContact C-N 3.32Å; D368-E370 PolarHBondContact O-N 3.45Å; E370-R373 PolarHBondContact O-N 3.3Å; E370-A374 PolarHBondContact O-N 3.08Å
371	L	97.2	Very high	96.9	Very high	90 Å²	90	50.1 Å²	50.1	47%	0.471	26%	0.257	S	S	.	.	H	α-helix	trans	-68.6	-45.2	177.5	-65.6	178.6	0	0	0	110.8	H363 D368 R373 A374 D375	H363-L371 HydrophobicContact CB-CB 4.28Å; D368-L371 HydrophobicContact CB-CB 4.26Å; D368-L371 HydrophobicContact CB-CD1 4.23Å; D368-L371 PolarHBondContact O-N 3.44Å; L371-R373 VanDerWaalsContact C-N 3.29Å; L371-R373 PolarHBondContact O-N 3.48Å; L371-A374 WeakPolarHBondContact O-CB 3.47Å; L371-A374 PolarHBondContact O-N 2.97Å; L371-A374 VanDerWaalsContact O-N 3.12Å; L371-D375 PolarHBondContact O-N 3.46Å
372	A	97.6	Very high	96.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57.7	-43.5	174.8	0	0	0	0	0	112	G360 H363 L364 D368 A374 D375 F376	G360-A372 WeakPolarHBondContact O-CB 3.44Å; H363-A372 HydrophobicContact CB-CB 3.82Å; L364-A372 HydrophobicContact CB-CB 3.89Å; D368-A372 WeakPolarHBondContact O-CB 3.35Å; D368-A372 PolarHBondContact O-N 3.27Å; A372-A374 PolarHBondContact O-N 2.89Å; A372-D375 PolarHBondContact O-N 3.07Å; A372-F376 HydrophobicContact CB-CE2 4.25Å; A372-F376 WeakPolarHBondContact O-CD2 3.41Å; A372-F376 WeakPolarHBondContact O-CG 3.27Å; A372-F376 PolarHBondContact O-N 3.09Å
373	R	97.4	Very high	96.7	Very high	92 Å²	92	54.4 Å²	54.4	35%	0.347	28%	0.277	S	S	.	.	H	α-helix	trans	-59.6	-46.2	175.5	-176.4	-174	69.3	180	-1.2	111.1	F369 E370 L371 D375 F376 Q377 L393 C396 I400	F369-R373 WeakPolarHBondContact O-CB 3.5Å; F369-R373 PolarHBondContact O-N 2.89Å; E370-R373 PolarHBondContact O-N 3.3Å; L371-R373 VanDerWaalsContact C-N 3.29Å; L371-R373 PolarHBondContact O-N 3.48Å; R373-D375 VanDerWaalsContact C-N 3.34Å; R373-D375 PolarHBondContact O-N 3.37Å; R373-F376 PolarHBondContact O-N 3.46Å; R373-Q377 HydrophobicContact CG-CG 4.39Å; R373-Q377 WeakPolarHBondContact O-CB 3.44Å; R373-Q377 VanDerWaalsContact O-CG 3.28Å; R373-Q377 WeakPolarHBondContact O-CG 3.38Å; R373-Q377 PolarHBondContact O-N 2.97Å; R373-L393 HydrophobicContact CB-CD1 4.38Å; R373-L393 HydrophobicContact CG-CD1 3.54Å; R373-C396 HydrophobicContact CB-CB 4.12Å; R373-I400 HydrophobicContact CB-CD1 4.28Å
374	A	97.8	Very high	96.6	Very high	49 Å²	49	58 Å²	58	41%	0.405	30%	0.302	S	S	.	.	H	α-helix	trans	-60.5	-43.9	179.9	0	0	0	0	0	111.5	E370 L371 A372 Q377 K378	E370-A374 PolarHBondContact O-N 3.08Å; L371-A374 WeakPolarHBondContact O-CB 3.47Å; L371-A374 PolarHBondContact O-N 2.97Å; L371-A374 VanDerWaalsContact O-N 3.12Å; A372-A374 PolarHBondContact O-N 2.89Å; A374-Q377 PolarHBondContact O-N 2.88Å; A374-K378 WeakPolarHBondContact O-CB 3.34Å; A374-K378 PolarHBondContact O-N 3.35Å
375	D	98.1	Very high	96.5	Very high	9 Å²	9	64.6 Å²	64.6	5%	0.048	34%	0.337	C	S	.	.	H	α-helix	trans	-63.5	-49	177	-81.9	-22	0	0	0	112.2	R359 G360 H363 L371 A372 R373 Q377 K378 V379	R359-D375 WeakPolarHBondContact CB-OD2 3.29Å; R359-D375 WeakPolarHBondContact CG-OD2 3.34Å; R359-D375 IonicContact CZ-OD1 2.7Å; R359-D375 IonicContact CZ-OD2 2.71Å; R359-D375 IonicContact NE-OD1 3.03Å; R359-D375 PolarHBondContact NE-OD1 3.1Å; R359-D375 IonicContact NE-OD2 3.9Å; R359-D375 PolarHBondContact NE-OD2 3.33Å; R359-D375 IonicContact NH2-OD1 3.43Å; R359-D375 PolarHBondContact NH2-OD1 3.49Å; R359-D375 IonicContact NH2-OD2 3.8Å; G360-D375 PolarHBondContact N-OD2 3.11Å; H363-D375 IonicContact CD2-OD2 3.25Å; L371-D375 PolarHBondContact O-N 3.46Å; A372-D375 PolarHBondContact O-N 3.07Å; R373-D375 VanDerWaalsContact C-N 3.34Å; R373-D375 PolarHBondContact O-N 3.37Å; D375-Q377 VanDerWaalsContact C-N 3.32Å; D375-Q377 PolarHBondContact O-N 3.38Å; D375-K378 PolarHBondContact O-N 2.97Å; D375-V379 VanDerWaalsContact O-CG2 3.28Å; D375-V379 WeakPolarHBondContact O-CG2 3.39Å; D375-V379 PolarHBondContact O-N 2.66Å
376	F	98.2	Very high	96.5	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-66.1	-33	178.1	-65.3	-51.1	0	0	0	113.1	F357 E361 L364 A372 R373 V379 L380 A389 Q392 L393	F357-F376 AromaticContact CD2-CD1 3.93Å; F357-F376 HydrophobicContact CD2-CD1 3.93Å; F357-F376 AromaticContact CD2-CE1 3.73Å; F357-F376 HydrophobicContact CD2-CE1 3.73Å; F357-F376 HydrophobicContact CE2-CD1 4.09Å; F357-F376 AromaticContact CE2-CE1 3.71Å; F357-F376 HydrophobicContact CE2-CE1 3.71Å; F357-F376 HydrophobicContact CG-CE1 4.32Å; F357-F376 HydrophobicContact CZ-CE1 4.31Å; E361-F376 HydrophobicContact CG-CE1 4.38Å; E361-F376 HydrophobicContact CG-CZ 4.12Å; L364-F376 HydrophobicContact CD2-CE2 4.3Å; A372-F376 HydrophobicContact CB-CE2 4.25Å; A372-F376 WeakPolarHBondContact O-CD2 3.41Å; A372-F376 WeakPolarHBondContact O-CG 3.27Å; A372-F376 PolarHBondContact O-N 3.09Å; R373-F376 PolarHBondContact O-N 3.46Å; F376-V379 PolarHBondContact O-N 3.46Å; F376-L380 WeakPolarHBondContact O-CG 3.19Å; F376-L380 PolarHBondContact O-N 3.01Å; F376-A389 HydrophobicContact CD1-CB 4.38Å; F376-Q392 HydrophobicContact CD1-CB 4.13Å; F376-Q392 HydrophobicContact CD2-CB 3.8Å; F376-Q392 HydrophobicContact CE1-CB 3.82Å; F376-Q392 HydrophobicContact CE1-CG 4.19Å; F376-Q392 HydrophobicContact CE2-CB 3.48Å; F376-Q392 VanDerWaalsContact CE2-CB 3.48Å; F376-Q392 HydrophobicContact CE2-CG 4.36Å; F376-Q392 HydrophobicContact CG-CB 4.13Å; F376-Q392 HydrophobicContact CZ-CB 3.48Å; F376-Q392 VanDerWaalsContact CZ-CB 3.48Å; F376-Q392 HydrophobicContact CZ-CG 3.91Å; F376-L393 HydrophobicContact CB-CB 4.11Å; F376-L393 HydrophobicContact CB-CD1 4.42Å
377	Q	97.6	Very high	96.5	Very high	90 Å²	90	69.7 Å²	69.7	42%	0.421	35%	0.348	S	S	.	.	H	α-helix	trans	-64.3	-45.2	172	-78.9	178.9	-41.1	0	0	111.3	R373 A374 D375 V379 L380 Q381 L393	R373-Q377 HydrophobicContact CG-CG 4.39Å; R373-Q377 WeakPolarHBondContact O-CB 3.44Å; R373-Q377 VanDerWaalsContact O-CG 3.28Å; R373-Q377 WeakPolarHBondContact O-CG 3.38Å; R373-Q377 PolarHBondContact O-N 2.97Å; A374-Q377 PolarHBondContact O-N 2.88Å; D375-Q377 VanDerWaalsContact C-N 3.32Å; D375-Q377 PolarHBondContact O-N 3.38Å; Q377-V379 VanDerWaalsContact C-N 3.3Å; Q377-V379 PolarHBondContact O-N 2.97Å; Q377-L380 PolarHBondContact O-N 3.27Å; Q377-Q381 WeakPolarHBondContact O-CB 3.43Å; Q377-Q381 PolarHBondContact O-N 3.35Å; Q377-L393 HydrophobicContact CG-CD1 3.68Å; Q377-L393 HydrophobicContact CG-CD2 3.92Å; Q377-L393 HydrophobicContact CG-CG 4.49Å
378	K	97.6	Very high	96.6	Very high	73 Å²	73	67.8 Å²	67.8	32%	0.317	34%	0.344	S	S	.	.	H	α-helix	trans	-62	-39.7	176.4	-167.9	175.6	176.8	-168.1	0	111.4	S350 L356 A374 D375 L380 Q381 L382	S350-K378 PolarHBondContact O-NZ 3.46Å; L356-K378 HydrophobicContact CD1-CB 4.34Å; L356-K378 HydrophobicContact CD1-CD 3.91Å; L356-K378 HydrophobicContact CD1-CG 3.87Å; L356-K378 HydrophobicContact CD2-CD 3.88Å; A374-K378 WeakPolarHBondContact O-CB 3.34Å; A374-K378 PolarHBondContact O-N 3.35Å; D375-K378 PolarHBondContact O-N 2.97Å; K378-L380 PolarHBondContact O-N 3.1Å; K378-Q381 PolarHBondContact O-N 3.41Å; K378-L382 HydrophobicContact CG-CD1 4.3Å; K378-L382 WeakPolarHBondContact O-CG 3.16Å; K378-L382 PolarHBondContact O-N 2.93Å; K378-L382 VanDerWaalsContact O-N 3.16Å
379	V	97.9	Very high	96.6	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-58.4	-48.4	173.1	174.8	0	0	0	0	110.9	E353 L356 F357 D375 F376 Q377 Q381 L382 Y383 N386 A389	E353-V379 HydrophobicContact CG-CG1 4.27Å; L356-V379 HydrophobicContact CB-CG2 3.48Å; L356-V379 VanDerWaalsContact CB-CG2 3.48Å; L356-V379 HydrophobicContact CD1-CG2 4.42Å; F357-V379 HydrophobicContact CB-CG2 4.21Å; D375-V379 VanDerWaalsContact O-CG2 3.28Å; D375-V379 WeakPolarHBondContact O-CG2 3.39Å; D375-V379 PolarHBondContact O-N 2.66Å; F376-V379 PolarHBondContact O-N 3.46Å; Q377-V379 VanDerWaalsContact C-N 3.3Å; Q377-V379 PolarHBondContact O-N 2.97Å; V379-Q381 VanDerWaalsContact C-N 3.32Å; V379-Q381 PolarHBondContact O-N 2.72Å; V379-L382 PolarHBondContact O-N 3.08Å; V379-Y383 CarbonylContact O-C 3.53Å; V379-Y383 WeakPolarHBondContact O-CA 3.49Å; V379-Y383 WeakPolarHBondContact O-CB 3.04Å; V379-Y383 PolarHBondContact O-N 3.24Å; V379-N386 HydrophobicContact CG1-CB 4.22Å; V379-A389 HydrophobicContact CB-CB 4.13Å; V379-A389 HydrophobicContact CG1-CB 3.62Å
380	L	97.1	Very high	96.7	Very high	36 Å²	36	70.6 Å²	70.6	19%	0.188	35%	0.353	C	S	.	.	H	α-helix	trans	-71.3	-26.1	-179.2	-69.7	170.4	0	0	0	113.7	F376 Q377 K378 P384 N386 A389 K390 L393	F376-L380 WeakPolarHBondContact O-CG 3.19Å; F376-L380 PolarHBondContact O-N 3.01Å; Q377-L380 PolarHBondContact O-N 3.27Å; K378-L380 PolarHBondContact O-N 3.1Å; L380-P384 WeakPolarHBondContact O-CA 3.49Å; L380-N386 WeakPolarHBondContact CD2-O 3.27Å; L380-A389 HydrophobicContact CD2-CB 3.91Å; L380-A389 HydrophobicContact CG-CB 3.94Å; L380-K390 HydrophobicContact CD1-CB 4.33Å; L380-K390 HydrophobicContact CD2-CB 4.16Å; L380-L393 HydrophobicContact CD1-CB 4.38Å; L380-L393 HydrophobicContact CD1-CD2 3.6Å
381	Q	97	Very high	96.8	Very high	158 Å²	158	70.7 Å²	70.7	74%	0.738	36%	0.36	S	S	*	.	H	α-helix	trans	-66.5	-41.1	173.6	-175	-179	11.6	0	0	111.3	Q377 K378 V379	Q377-Q381 WeakPolarHBondContact O-CB 3.43Å; Q377-Q381 PolarHBondContact O-N 3.35Å; K378-Q381 PolarHBondContact O-N 3.41Å; V379-Q381 VanDerWaalsContact C-N 3.32Å; V379-Q381 PolarHBondContact O-N 2.72Å
382	L	96	Very high	96.7	Very high	68 Å²	68	69 Å²	69	36%	0.356	35%	0.349	S	S	.	.	H	α-helix	trans	-87.7	-34.3	-179.2	-63	173.6	0	0	0	112.7	N351 L356 K378 V379	N351-L382 HydrophobicContact CB-CD1 3.82Å; L356-L382 HydrophobicContact CD1-CD1 4.11Å; K378-L382 HydrophobicContact CG-CD1 4.3Å; K378-L382 WeakPolarHBondContact O-CG 3.16Å; K378-L382 PolarHBondContact O-N 2.93Å; K378-L382 VanDerWaalsContact O-N 3.16Å; V379-L382 PolarHBondContact O-N 3.08Å
383	Y	95.4	Very high	96.6	Very high	82 Å²	82	70 Å²	70	32%	0.322	35%	0.354	S	S	.	.			trans	-131.5	73.7	-173.7	-51.2	-79.9	0	0	0	111.1	N351 E353 V379 N385 N386	N351-Y383 WeakPolarHBondContact O-CE2 3.2Å; N351-Y383 PolarHBondContact O-OH 3.17Å; E353-Y383 HydrophobicContact CB-CD1 4.4Å; E353-Y383 HydrophobicContact CB-CD2 3.69Å; E353-Y383 HydrophobicContact CB-CE1 4.19Å; E353-Y383 HydrophobicContact CB-CE2 3.45Å; E353-Y383 VanDerWaalsContact CB-CE2 3.45Å; E353-Y383 HydrophobicContact CB-CG 4.17Å; E353-Y383 HydrophobicContact CG-CD1 4.4Å; E353-Y383 HydrophobicContact CG-CD2 3.61Å; E353-Y383 HydrophobicContact CG-CE2 3.95Å; E353-Y383 HydrophobicContact CG-CG 3.86Å; V379-Y383 CarbonylContact O-C 3.53Å; V379-Y383 WeakPolarHBondContact O-CA 3.49Å; V379-Y383 WeakPolarHBondContact O-CB 3.04Å; V379-Y383 PolarHBondContact O-N 3.24Å; Y383-N385 PolarHBondContact O-N 3.05Å; Y383-N386 WeakPolarHBondContact O-CB 3.23Å; Y383-N386 PolarHBondContact O-N 3.02Å; Y383-N386 VanDerWaalsContact O-N 3.1Å
384	P	95.8	Very high	96.6	Very high	95 Å²	95	68 Å²	68	62%	0.617	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.8	-172	-25	34.7	0	0	0	115.1	L380 N386	L380-P384 WeakPolarHBondContact O-CA 3.49Å; P384-N386 VanDerWaalsContact C-N 3.3Å; P384-N386 PolarHBondContact O-N 3.04Å
385	N	95.3	Very high	96.5	Very high	154 Å²	154	67.7 Å²	67.7	82%	0.824	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-2.5	-178	-67	-32.7	0	0	0	113.7	Y383 K387	Y383-N385 PolarHBondContact O-N 3.05Å; N385-K387 PolarHBondContact O-N 3.48Å
386	N	95.1	Very high	96.4	Very high	29 Å²	29	67.3 Å²	67.3	16%	0.155	35%	0.349	C	S	.	.			trans	-72.4	95.9	179.9	-169.7	-39.2	0	0	0	111.3	E353 V379 L380 Y383 P384 A388 A389 K390	E353-N386 PolarHBondContact OE1-ND2 3.38Å; V379-N386 HydrophobicContact CG1-CB 4.22Å; L380-N386 WeakPolarHBondContact CD2-O 3.27Å; Y383-N386 WeakPolarHBondContact O-CB 3.23Å; Y383-N386 PolarHBondContact O-N 3.02Å; Y383-N386 VanDerWaalsContact O-N 3.1Å; P384-N386 VanDerWaalsContact C-N 3.3Å; P384-N386 PolarHBondContact O-N 3.04Å; N386-A388 VanDerWaalsContact C-N 3.29Å; N386-A388 PolarHBondContact O-N 2.95Å; N386-A388 WeakPolarHBondContact OD1-CB 3.34Å; N386-A388 PolarHBondContact OD1-N 3.42Å; N386-A388 VanDerWaalsContact OD1-N 3.12Å; N386-A389 HydrophobicContact CB-CB 4.05Å; N386-A389 PolarHBondContact O-N 2.89Å; N386-A389 PolarHBondContact OD1-N 3.43Å; N386-K390 PolarHBondContact O-N 2.71Å
387	K	96	Very high	96.2	Very high	175 Å²	175	71.3 Å²	71.3	76%	0.761	37%	0.367	S	S	*	.	H	α-helix	trans	-63.2	-33.6	-179.7	-64.3	-176.3	-178.7	178.5	0	113.1	N385 K390 T391	N385-K387 PolarHBondContact O-N 3.48Å; K387-K390 PolarHBondContact O-N 3.01Å; K387-T391 PolarHBondContact O-N 3.37Å; K387-T391 VanDerWaalsContact O-N 3.12Å; K387-T391 PolarHBondContact O-OG1 3.05Å
388	A	95.6	Very high	96.1	Very high	47 Å²	47	71.1 Å²	71.1	39%	0.388	37%	0.367	S	S	.	.	H	α-helix	trans	-67.4	-44.9	179.8	0	0	0	0	0	110.5	F357 N386 K390 T391 Q392	F357-A388 HydrophobicContact CE2-CB 3.78Å; F357-A388 HydrophobicContact CZ-CB 3.65Å; N386-A388 VanDerWaalsContact C-N 3.29Å; N386-A388 PolarHBondContact O-N 2.95Å; N386-A388 WeakPolarHBondContact OD1-CB 3.34Å; N386-A388 PolarHBondContact OD1-N 3.42Å; N386-A388 VanDerWaalsContact OD1-N 3.12Å; A388-K390 VanDerWaalsContact C-N 3.32Å; A388-K390 PolarHBondContact O-N 3.12Å; A388-T391 WeakPolarHBondContact O-CB 3.47Å; A388-T391 PolarHBondContact O-N 3.03Å; A388-T391 VanDerWaalsContact O-N 3.11Å; A388-Q392 WeakPolarHBondContact O-CG 3.47Å; A388-Q392 PolarHBondContact O-N 3.06Å
389	A	96	Very high	95.9	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-61.5	-41.2	177.5	0	0	0	0	0	111.5	F357 F376 V379 L380 N386 T391 Q392 L393	F357-A389 HydrophobicContact CD2-CB 4.03Å; F357-A389 HydrophobicContact CE2-CB 4.06Å; F376-A389 HydrophobicContact CD1-CB 4.38Å; V379-A389 HydrophobicContact CB-CB 4.13Å; V379-A389 HydrophobicContact CG1-CB 3.62Å; L380-A389 HydrophobicContact CD2-CB 3.91Å; L380-A389 HydrophobicContact CG-CB 3.94Å; N386-A389 HydrophobicContact CB-CB 4.05Å; N386-A389 PolarHBondContact O-N 2.89Å; N386-A389 PolarHBondContact OD1-N 3.43Å; A389-T391 VanDerWaalsContact C-N 3.31Å; A389-T391 PolarHBondContact O-N 3.02Å; A389-Q392 PolarHBondContact O-N 3.23Å; A389-L393 VanDerWaalsContact O-CB 3.22Å; A389-L393 WeakPolarHBondContact O-CB 3.48Å; A389-L393 PolarHBondContact O-N 3.04Å
390	K	96.6	Very high	95.7	Very high	148 Å²	148	73.2 Å²	73.2	64%	0.643	37%	0.373	S	S	*	.	H	α-helix	trans	-59.5	-41.9	174.4	-171.3	175.3	-178.5	175.8	0	112.4	L380 N386 K387 A388 A394	L380-K390 HydrophobicContact CD1-CB 4.33Å; L380-K390 HydrophobicContact CD2-CB 4.16Å; N386-K390 PolarHBondContact O-N 2.71Å; K387-K390 PolarHBondContact O-N 3.01Å; A388-K390 VanDerWaalsContact C-N 3.32Å; A388-K390 PolarHBondContact O-N 3.12Å; K390-A394 PolarHBondContact O-N 3.17Å
391	T	97	Very high	95.5	Very high	90 Å²	90	79.5 Å²	79.5	55%	0.552	40%	0.395	S	S	*	.	H	α-helix	trans	-67.5	-49	179.3	-54	0	0	0	0	110.9	K387 A388 A389 L393 A394 V395	K387-T391 PolarHBondContact O-N 3.37Å; K387-T391 VanDerWaalsContact O-N 3.12Å; K387-T391 PolarHBondContact O-OG1 3.05Å; A388-T391 WeakPolarHBondContact O-CB 3.47Å; A388-T391 PolarHBondContact O-N 3.03Å; A388-T391 VanDerWaalsContact O-N 3.11Å; A389-T391 VanDerWaalsContact C-N 3.31Å; A389-T391 PolarHBondContact O-N 3.02Å; T391-L393 VanDerWaalsContact C-N 3.33Å; T391-L393 PolarHBondContact O-N 3.35Å; T391-A394 WeakPolarHBondContact O-CB 3.28Å; T391-A394 PolarHBondContact O-N 3.11Å; T391-V395 WeakPolarHBondContact O-CG2 3.45Å; T391-V395 PolarHBondContact O-N 3.39Å; T391-V395 VanDerWaalsContact O-N 3.12Å
392	Q	96.6	Very high	95.4	Very high	53 Å²	53	78.6 Å²	78.6	25%	0.248	39%	0.385	C	S	.	.	H	α-helix	trans	-66.4	-34.2	179.8	-64.4	-64.6	6.1	0	0	112.7	F357 F376 A388 A389 A394 V395 C396	F357-Q392 HydrophobicContact CZ-CG 4.42Å; F376-Q392 HydrophobicContact CD1-CB 4.13Å; F376-Q392 HydrophobicContact CD2-CB 3.8Å; F376-Q392 HydrophobicContact CE1-CB 3.82Å; F376-Q392 HydrophobicContact CE1-CG 4.19Å; F376-Q392 HydrophobicContact CE2-CB 3.48Å; F376-Q392 VanDerWaalsContact CE2-CB 3.48Å; F376-Q392 HydrophobicContact CE2-CG 4.36Å; F376-Q392 HydrophobicContact CG-CB 4.13Å; F376-Q392 HydrophobicContact CZ-CB 3.48Å; F376-Q392 VanDerWaalsContact CZ-CB 3.48Å; F376-Q392 HydrophobicContact CZ-CG 3.91Å; A388-Q392 WeakPolarHBondContact O-CG 3.47Å; A388-Q392 PolarHBondContact O-N 3.06Å; A389-Q392 PolarHBondContact O-N 3.23Å; Q392-A394 VanDerWaalsContact C-N 3.34Å; Q392-A394 PolarHBondContact O-N 3.08Å; Q392-V395 WeakPolarHBondContact O-CB 3.35Å; Q392-V395 PolarHBondContact O-N 3.34Å; Q392-C396 PolarHBondContact O-N 3.17Å; Q392-C396 PolarHBondContact O-SG 2.96Å
393	L	95.6	Very high	95.1	Very high	21 Å²	21	78.4 Å²	78.4	11%	0.11	38%	0.382	C	S	.	.	H	α-helix	trans	-60.5	-43.4	173.2	179.8	60.2	0	0	0	111.7	R373 F376 Q377 L380 A389 T391 V395 C396 Q397	R373-L393 HydrophobicContact CB-CD1 4.38Å; R373-L393 HydrophobicContact CG-CD1 3.54Å; F376-L393 HydrophobicContact CB-CB 4.11Å; F376-L393 HydrophobicContact CB-CD1 4.42Å; Q377-L393 HydrophobicContact CG-CD1 3.68Å; Q377-L393 HydrophobicContact CG-CD2 3.92Å; Q377-L393 HydrophobicContact CG-CG 4.49Å; L380-L393 HydrophobicContact CD1-CB 4.38Å; L380-L393 HydrophobicContact CD1-CD2 3.6Å; A389-L393 VanDerWaalsContact O-CB 3.22Å; A389-L393 WeakPolarHBondContact O-CB 3.48Å; A389-L393 PolarHBondContact O-N 3.04Å; T391-L393 VanDerWaalsContact C-N 3.33Å; T391-L393 PolarHBondContact O-N 3.35Å; L393-V395 VanDerWaalsContact C-N 3.31Å; L393-V395 PolarHBondContact O-N 3.06Å; L393-C396 PolarHBondContact O-N 3.05Å; L393-Q397 WeakPolarHBondContact O-CG 3.46Å; L393-Q397 PolarHBondContact O-N 3Å
394	A	95.9	Very high	94.9	Very high	52 Å²	52	79.1 Å²	79.1	43%	0.43	39%	0.391	S	S	.	.	H	α-helix	trans	-63.1	-38.3	175.6	0	0	0	0	0	111.8	K390 T391 Q392 Q397 Q398	K390-A394 PolarHBondContact O-N 3.17Å; T391-A394 WeakPolarHBondContact O-CB 3.28Å; T391-A394 PolarHBondContact O-N 3.11Å; Q392-A394 VanDerWaalsContact C-N 3.34Å; Q392-A394 PolarHBondContact O-N 3.08Å; A394-Q397 PolarHBondContact O-N 2.94Å; A394-Q398 WeakPolarHBondContact O-CB 3.47Å; A394-Q398 PolarHBondContact O-N 2.99Å
395	V	96.1	Very high	94.8	Very high	42 Å²	42	77.5 Å²	77.5	26%	0.255	39%	0.386	S	S	.	.	H	α-helix	trans	-60.9	-48	173.1	174.9	0	0	0	0	110.7	L364 T391 Q392 L393 Q397 Q398 R399	L364-V395 HydrophobicContact CD2-CG1 4.37Å; T391-V395 WeakPolarHBondContact O-CG2 3.45Å; T391-V395 PolarHBondContact O-N 3.39Å; T391-V395 VanDerWaalsContact O-N 3.12Å; Q392-V395 WeakPolarHBondContact O-CB 3.35Å; Q392-V395 PolarHBondContact O-N 3.34Å; L393-V395 VanDerWaalsContact C-N 3.31Å; L393-V395 PolarHBondContact O-N 3.06Å; V395-Q397 PolarHBondContact O-N 3.24Å; V395-Q398 WeakPolarHBondContact O-CB 3.39Å; V395-Q398 PolarHBondContact O-N 3.36Å; V395-R399 HydrophobicContact CG1-CG 4.48Å; V395-R399 WeakPolarHBondContact O-CG 3.39Å; V395-R399 PolarHBondContact O-N 3.38Å
396	C	95.3	Very high	94.7	Very high	0 Å²	0	79.1 Å²	79.1	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-58.1	-48.9	177.3	-63.2	0	0	0	0	111	R373 Q392 L393 Q398 R399 I400	R373-C396 HydrophobicContact CB-CB 4.12Å; Q392-C396 PolarHBondContact O-N 3.17Å; Q392-C396 PolarHBondContact O-SG 2.96Å; L393-C396 PolarHBondContact O-N 3.05Å; C396-Q398 VanDerWaalsContact C-N 3.28Å; C396-Q398 PolarHBondContact O-N 2.9Å; C396-R399 PolarHBondContact O-N 2.88Å; C396-R399 VanDerWaalsContact O-N 3.13Å; C396-I400 VanDerWaalsContact O-CG1 3.27Å; C396-I400 WeakPolarHBondContact O-CG1 3.25Å; C396-I400 PolarHBondContact O-N 2.93Å
397	Q	94.1	Very high	94.6	Very high	84 Å²	84	81.1 Å²	81.1	39%	0.393	39%	0.388	S	S	.	.	H	α-helix	trans	-61.6	-34.6	177.8	-71.1	176.9	-7.4	0	0	113.2	L393 A394 V395 R401	L393-Q397 WeakPolarHBondContact O-CG 3.46Å; L393-Q397 PolarHBondContact O-N 3Å; A394-Q397 PolarHBondContact O-N 2.94Å; V395-Q397 PolarHBondContact O-N 3.24Å; Q397-R401 WeakPolarHBondContact O-CB 3.22Å; Q397-R401 WeakPolarHBondContact O-CG 3.43Å; Q397-R401 PolarHBondContact O-N 2.89Å; Q397-R401 PolarHBondContact O-NE 3.37Å
398	Q	95.4	Very high	94.5	Very high	86 Å²	86	80.5 Å²	80.5	40%	0.402	39%	0.386	S	S	.	.	H	α-helix	trans	-68.3	-43.5	174.3	-172.5	-174	48.9	0	0	111.2	A394 V395 C396 R401 R402	A394-Q398 WeakPolarHBondContact O-CB 3.47Å; A394-Q398 PolarHBondContact O-N 2.99Å; V395-Q398 WeakPolarHBondContact O-CB 3.39Å; V395-Q398 PolarHBondContact O-N 3.36Å; C396-Q398 VanDerWaalsContact C-N 3.28Å; C396-Q398 PolarHBondContact O-N 2.9Å; Q398-R401 PolarHBondContact O-N 2.89Å; Q398-R402 WeakPolarHBondContact O-CG 3.45Å; Q398-R402 PolarHBondContact O-N 3.02Å; Q398-R402 VanDerWaalsContact O-N 3.1Å
399	R	94.1	Very high	94.5	Very high	103 Å²	103	85.1 Å²	85.1	39%	0.389	40%	0.397	S	S	.	.	H	α-helix	trans	-66.8	-45.2	179.4	-70.4	-161	-179.7	-161.8	5.7	112.4	N367 F369 V395 C396 R401 R402 Q403	N367-R399 PolarHBondContact OD1-NH1 3.34Å; F369-R399 HydrophobicContact CD1-CB 3.88Å; F369-R399 HydrophobicContact CD1-CG 4.5Å; F369-R399 HydrophobicContact CD2-CB 4.23Å; F369-R399 HydrophobicContact CE1-CB 3.9Å; F369-R399 HydrophobicContact CE1-CG 4.19Å; F369-R399 HydrophobicContact CE2-CB 4.21Å; F369-R399 HydrophobicContact CG-CB 4.06Å; F369-R399 HydrophobicContact CZ-CB 4.05Å; F369-R399 HydrophobicContact CZ-CG 4.48Å; V395-R399 HydrophobicContact CG1-CG 4.48Å; V395-R399 WeakPolarHBondContact O-CG 3.39Å; V395-R399 PolarHBondContact O-N 3.38Å; C396-R399 PolarHBondContact O-N 2.88Å; C396-R399 VanDerWaalsContact O-N 3.13Å; R399-R401 VanDerWaalsContact C-N 3.35Å; R399-R401 PolarHBondContact O-N 3.47Å; R399-R402 WeakPolarHBondContact O-CB 3.42Å; R399-R402 PolarHBondContact O-N 3.13Å; R399-R402 VanDerWaalsContact O-N 3.11Å; R399-Q403 PolarHBondContact O-N 3.05Å
400	I	93.6	Very high	94.4	Very high	14 Å²	14	90 Å²	90	7%	0.072	42%	0.423	C	S	.	.	H	α-helix	trans	-57.2	-47.3	174.9	-65.8	166.3	0	0	0	110.7	F369 R373 C396 R402 Q403 L404	F369-I400 HydrophobicContact CB-CD1 4.01Å; F369-I400 HydrophobicContact CB-CG1 3.47Å; F369-I400 VanDerWaalsContact CB-CG1 3.47Å; F369-I400 HydrophobicContact CG-CG1 4.37Å; R373-I400 HydrophobicContact CB-CD1 4.28Å; C396-I400 VanDerWaalsContact O-CG1 3.27Å; C396-I400 WeakPolarHBondContact O-CG1 3.25Å; C396-I400 PolarHBondContact O-N 2.93Å; I400-R402 VanDerWaalsContact C-N 3.3Å; I400-R402 PolarHBondContact O-N 2.83Å; I400-Q403 PolarHBondContact O-N 3.27Å; I400-Q403 VanDerWaalsContact O-N 3.16Å; I400-L404 HydrophobicContact CG2-CD1 3.92Å; I400-L404 HydrophobicContact CG2-CG 4.32Å; I400-L404 WeakPolarHBondContact O-CG 3.35Å; I400-L404 PolarHBondContact O-N 3.3Å
401	R	94.2	Very high	94.2	Very high	168 Å²	168	90.2 Å²	90.2	63%	0.634	42%	0.421	S	S	*	.	H	α-helix	trans	-59.3	-41	177.1	-81.1	-174.8	-72.5	166.3	-7.1	112.6	Q397 Q398 R399 A405	Q397-R401 WeakPolarHBondContact O-CB 3.22Å; Q397-R401 WeakPolarHBondContact O-CG 3.43Å; Q397-R401 PolarHBondContact O-N 2.89Å; Q397-R401 PolarHBondContact O-NE 3.37Å; Q398-R401 PolarHBondContact O-N 2.89Å; R399-R401 VanDerWaalsContact C-N 3.35Å; R399-R401 PolarHBondContact O-N 3.47Å; R401-A405 VanDerWaalsContact O-CB 3.31Å; R401-A405 WeakPolarHBondContact O-CB 3.32Å; R401-A405 PolarHBondContact O-N 2.95Å
402	R	93.1	Very high	94.1	Very high	140 Å²	140	88.1 Å²	88.1	53%	0.528	41%	0.412	S	S	.	.	H	α-helix	trans	-67.3	-39	176.6	-73.7	176.4	177.6	177	0.7	111.7	Q398 R399 I400 A405 R406	Q398-R402 WeakPolarHBondContact O-CG 3.45Å; Q398-R402 PolarHBondContact O-N 3.02Å; Q398-R402 VanDerWaalsContact O-N 3.1Å; R399-R402 WeakPolarHBondContact O-CB 3.42Å; R399-R402 PolarHBondContact O-N 3.13Å; R399-R402 VanDerWaalsContact O-N 3.11Å; I400-R402 VanDerWaalsContact C-N 3.3Å; I400-R402 PolarHBondContact O-N 2.83Å; R402-A405 PolarHBondContact O-N 3.03Å; R402-R406 VanDerWaalsContact O-CG 3.29Å; R402-R406 WeakPolarHBondContact O-CG 3.47Å; R402-R406 PolarHBondContact O-N 2.87Å
403	Q	90.6	Very high	93.9	Very high	63 Å²	63	89.7 Å²	89.7	29%	0.294	42%	0.422	S	S	.	.	H	α-helix	trans	-64.1	-52	176.6	-179.9	171.5	-8.8	0	0	111.2	R399 I400 A405 R406 E407	R399-Q403 PolarHBondContact O-N 3.05Å; I400-Q403 PolarHBondContact O-N 3.27Å; I400-Q403 VanDerWaalsContact O-N 3.16Å; Q403-A405 VanDerWaalsContact C-N 3.27Å; Q403-A405 PolarHBondContact O-N 3.38Å; Q403-R406 WeakPolarHBondContact O-CA 3.34Å; Q403-R406 WeakPolarHBondContact O-CB 3.35Å; Q403-R406 PolarHBondContact O-N 2.79Å; Q403-E407 HydrophobicContact CG-CG 4.43Å; Q403-E407 WeakPolarHBondContact CG-OE1 3.34Å; Q403-E407 PolarHBondContact NE2-OE1 2.97Å; Q403-E407 PolarHBondContact O-N 3.49Å
404	L	91.2	Very high	93.8	Very high	97 Å²	97	93.5 Å²	93.5	51%	0.508	44%	0.441	S	S	.	.	H	α-helix	trans	-58.5	-38.3	176.6	-69	173.2	0	0	0	112.4	I400 K408	I400-L404 HydrophobicContact CG2-CD1 3.92Å; I400-L404 HydrophobicContact CG2-CG 4.32Å; I400-L404 WeakPolarHBondContact O-CG 3.35Å; I400-L404 PolarHBondContact O-N 3.3Å; L404-K408 VanDerWaalsContact O-CB 3.23Å; L404-K408 WeakPolarHBondContact O-CB 3.49Å; L404-K408 PolarHBondContact O-N 3.2Å
405	A	94.1	Very high	93.7	Very high	62 Å²	62	98.3 Å²	98.3	51%	0.512	45%	0.452	S	S	.	.	H	α-helix	trans	-65.9	-38.5	175.5	0	0	0	0	0	112.6	R401 R402 Q403 K409	R401-A405 VanDerWaalsContact O-CB 3.31Å; R401-A405 WeakPolarHBondContact O-CB 3.32Å; R401-A405 PolarHBondContact O-N 2.95Å; R402-A405 PolarHBondContact O-N 3.03Å; Q403-A405 VanDerWaalsContact C-N 3.27Å; Q403-A405 PolarHBondContact O-N 3.38Å; A405-K409 WeakPolarHBondContact O-CB 3.11Å; A405-K409 PolarHBondContact O-N 3.19Å; A405-K409 VanDerWaalsContact O-N 3.12Å
406	R	93	Very high	93.6	Very high	188 Å²	188	102 Å²	102	71%	0.709	47%	0.466	S	S	*	.	H	α-helix	trans	-68.3	-46.6	175.5	-74.4	171.2	-178.8	175.7	-1.8	111.4	R402 Q403 K409 L410	R402-R406 VanDerWaalsContact O-CG 3.29Å; R402-R406 WeakPolarHBondContact O-CG 3.47Å; R402-R406 PolarHBondContact O-N 2.87Å; Q403-R406 WeakPolarHBondContact O-CA 3.34Å; Q403-R406 WeakPolarHBondContact O-CB 3.35Å; Q403-R406 PolarHBondContact O-N 2.79Å; R406-K409 PolarHBondContact O-N 3.46Å; R406-L410 WeakPolarHBondContact O-CB 3.32Å; R406-L410 PolarHBondContact O-N 3.39Å
407	E	92	Very high	93.5	Very high	70 Å²	70	109.7 Å²	109.7	33%	0.327	50%	0.496	S	S	.	.	H	α-helix	trans	-60.1	-47.8	176.4	-74	172.6	-173.1	0	0	110.7	Q403 K409 L410 Y411	Q403-E407 HydrophobicContact CG-CG 4.43Å; Q403-E407 WeakPolarHBondContact CG-OE1 3.34Å; Q403-E407 PolarHBondContact NE2-OE1 2.97Å; Q403-E407 PolarHBondContact O-N 3.49Å; E407-K409 VanDerWaalsContact C-N 3.28Å; E407-K409 PolarHBondContact O-N 2.83Å; E407-L410 WeakPolarHBondContact O-CB 3.37Å; E407-L410 PolarHBondContact O-N 2.66Å; E407-L410 VanDerWaalsContact O-N 3.09Å; E407-Y411 HydrophobicContact CB-CD2 4.31Å; E407-Y411 HydrophobicContact CB-CE2 4.25Å; E407-Y411 WeakPolarHBondContact O-CD2 3.34Å; E407-Y411 PolarHBondContact O-N 3.21Å
408	K	94.5	Very high	93.5	Very high	163 Å²	163	110.4 Å²	110.4	71%	0.709	50%	0.501	S	S	*	.	H	α-helix	trans	-55.2	-43.9	175.3	-177.2	178.4	179.4	179.7	0	112	L404 A412	L404-K408 VanDerWaalsContact O-CB 3.23Å; L404-K408 WeakPolarHBondContact O-CB 3.49Å; L404-K408 PolarHBondContact O-N 3.2Å; K408-A412 VanDerWaalsContact O-CB 3.29Å; K408-A412 WeakPolarHBondContact O-CB 3.28Å; K408-A412 PolarHBondContact O-N 2.83Å
409	K	95.1	Very high	93.4	Very high	143 Å²	143	107.8 Å²	107.8	62%	0.622	50%	0.495	S	S	*	.	H	α-helix	trans	-67.4	-40.7	177.5	-170.1	176.2	-178.3	179.6	0	111.8	A405 R406 E407 A412 N413	A405-K409 WeakPolarHBondContact O-CB 3.11Å; A405-K409 PolarHBondContact O-N 3.19Å; A405-K409 VanDerWaalsContact O-N 3.12Å; R406-K409 PolarHBondContact O-N 3.46Å; E407-K409 VanDerWaalsContact C-N 3.28Å; E407-K409 PolarHBondContact O-N 2.83Å; K409-A412 PolarHBondContact O-N 3.17Å; K409-N413 WeakPolarHBondContact O-CB 3.25Å; K409-N413 VanDerWaalsContact O-CG 3.22Å; K409-N413 PolarHBondContact O-N 3.12Å; K409-N413 PolarHBondContact O-OD1 3.2Å
410	L	93.4	Very high	93.2	Very high	103 Å²	103	108.5 Å²	108.5	54%	0.539	50%	0.502	S	S	.	.	H	α-helix	trans	-61.5	-48.9	176.6	-179.4	66.6	0	0	0	111.3	R406 E407 N413 M414	R406-L410 WeakPolarHBondContact O-CB 3.32Å; R406-L410 PolarHBondContact O-N 3.39Å; E407-L410 WeakPolarHBondContact O-CB 3.37Å; E407-L410 PolarHBondContact O-N 2.66Å; E407-L410 VanDerWaalsContact O-N 3.09Å; L410-N413 PolarHBondContact O-N 3.45Å; L410-M414 WeakPolarHBondContact O-CB 3.33Å; L410-M414 PolarHBondContact O-N 3.25Å
411	Y	93.5	Very high	93	Very high	153 Å²	153	112.3 Å²	112.3	60%	0.6	52%	0.52	S	S	*	.	H	α-helix	trans	-65.8	-38.4	177.9	-75	-65.9	0	0	0	112.4	E407 M414 F415	E407-Y411 HydrophobicContact CB-CD2 4.31Å; E407-Y411 HydrophobicContact CB-CE2 4.25Å; E407-Y411 WeakPolarHBondContact O-CD2 3.34Å; E407-Y411 PolarHBondContact O-N 3.21Å; Y411-M414 PolarHBondContact O-N 3.43Å; Y411-F415 VanDerWaalsContact O-CB 3.31Å; Y411-F415 WeakPolarHBondContact O-CB 3.47Å; Y411-F415 PolarHBondContact O-N 2.86Å
412	A	94.2	Very high	92.8	Very high	45 Å²	45	109.5 Å²	109.5	37%	0.372	51%	0.514	S	S	.	.	H	α-helix	trans	-60.4	-49	173.9	0	0	0	0	0	111.4	K408 K409 M414 F415 E416	K408-A412 VanDerWaalsContact O-CB 3.29Å; K408-A412 WeakPolarHBondContact O-CB 3.28Å; K408-A412 PolarHBondContact O-N 2.83Å; K409-A412 PolarHBondContact O-N 3.17Å; A412-M414 VanDerWaalsContact C-N 3.33Å; A412-M414 PolarHBondContact O-N 3.47Å; A412-F415 PolarHBondContact O-N 3.18Å; A412-E416 PolarHBondContact O-N 3.2Å
413	N	93.9	Very high	92.6	Very high	86 Å²	86	107.6 Å²	107.6	46%	0.46	52%	0.515	S	S	.	.	H	α-helix	trans	-63.4	-38.1	177.3	-69.8	7.9	0	0	0	112.3	K409 L410 R417	K409-N413 WeakPolarHBondContact O-CB 3.25Å; K409-N413 VanDerWaalsContact O-CG 3.22Å; K409-N413 PolarHBondContact O-N 3.12Å; K409-N413 PolarHBondContact O-OD1 3.2Å; L410-N413 PolarHBondContact O-N 3.45Å; N413-R417 WeakPolarHBondContact O-CB 3.37Å; N413-R417 PolarHBondContact O-N 2.92Å
414	M	92.1	Very high	92.5	Very high	102 Å²	102	111 Å²	111	50%	0.502	53%	0.528	S	S	.	.	H	α-helix	trans	-66.1	-40.7	176.6	-173.3	178.6	-73.5	0	0	111.2	L410 Y411 A412 R417 L418	L410-M414 WeakPolarHBondContact O-CB 3.33Å; L410-M414 PolarHBondContact O-N 3.25Å; Y411-M414 PolarHBondContact O-N 3.43Å; A412-M414 VanDerWaalsContact C-N 3.33Å; A412-M414 PolarHBondContact O-N 3.47Å; M414-R417 PolarHBondContact O-N 3.41Å; M414-L418 HydrophobicContact CG-CD1 4.38Å; M414-L418 VanDerWaalsContact O-CG 3.32Å; M414-L418 WeakPolarHBondContact O-CG 3.5Å; M414-L418 PolarHBondContact O-N 3.4Å
415	F	94.9	Very high	92	Very high	152 Å²	152	109 Å²	109	67%	0.667	53%	0.526	S	S	*	.	H	α-helix	trans	-66.4	-43.7	176.5	-171.8	-93.6	0	0	0	112.1	Y411 A412 R417 L418 A419	Y411-F415 VanDerWaalsContact O-CB 3.31Å; Y411-F415 WeakPolarHBondContact O-CB 3.47Å; Y411-F415 PolarHBondContact O-N 2.86Å; A412-F415 PolarHBondContact O-N 3.18Å; F415-R417 VanDerWaalsContact C-N 3.34Å; F415-R417 PolarHBondContact O-N 3.11Å; F415-L418 PolarHBondContact O-N 3.2Å; F415-A419 WeakPolarHBondContact O-CB 3.47Å; F415-A419 PolarHBondContact O-N 3.2Å
416	E	93.8	Very high	91.4	Very high	119 Å²	119	111.5 Å²	111.5	56%	0.556	53%	0.525	S	S	*	.	H	α-helix	trans	-58.6	-46.1	173.9	-77.1	176.6	-175.7	0	0	111.3	A412 L418 A419 E420	A412-E416 PolarHBondContact O-N 3.2Å; E416-L418 PolarHBondContact O-N 2.91Å; E416-A419 PolarHBondContact O-N 3.44Å; E416-E420 WeakPolarHBondContact O-CG 3.47Å; E416-E420 PolarHBondContact O-N 3.4Å
417	R	93.6	Very high	90.6	Very high	163 Å²	163	105 Å²	105	62%	0.615	51%	0.511	S	S	*	.	H	α-helix	trans	-62.6	-41.7	177.3	-176	178.4	170.5	169.5	0.5	112.7	N413 M414 F415 A419 E420 E421	N413-R417 WeakPolarHBondContact O-CB 3.37Å; N413-R417 PolarHBondContact O-N 2.92Å; M414-R417 PolarHBondContact O-N 3.41Å; F415-R417 VanDerWaalsContact C-N 3.34Å; F415-R417 PolarHBondContact O-N 3.11Å; R417-A419 VanDerWaalsContact C-N 3.34Å; R417-E420 PolarHBondContact O-N 3.45Å; R417-E421 IonicContact CZ-OE1 3.52Å; R417-E421 IonicContact NE-OE1 2.74Å; R417-E421 PolarHBondContact NE-OE1 2.97Å; R417-E421 IonicContact NH2-OE1 3.51Å; R417-E421 PolarHBondContact O-N 2.91Å
418	L	93.3	Very high	89.6	Confident	98 Å²	98	108.3 Å²	108.3	51%	0.513	53%	0.527	S	S	.	.	H	α-helix	trans	-63.9	-40.3	175.9	-75.6	170.6	0	0	0	111.5	M414 F415 E416 E421 E422	M414-L418 HydrophobicContact CG-CD1 4.38Å; M414-L418 VanDerWaalsContact O-CG 3.32Å; M414-L418 WeakPolarHBondContact O-CG 3.5Å; M414-L418 PolarHBondContact O-N 3.4Å; F415-L418 PolarHBondContact O-N 3.2Å; E416-L418 PolarHBondContact O-N 2.91Å; L418-E421 PolarHBondContact O-N 3.04Å; L418-E422 WeakPolarHBondContact O-CB 3.16Å; L418-E422 PolarHBondContact O-N 3.22Å
419	A	92.6	Very high	88.3	Confident	32 Å²	32	104.4 Å²	104.4	26%	0.264	53%	0.525	S	S	.	.	H	α-helix	trans	-65.4	-38.4	175	0	0	0	0	0	112	F415 E416 R417 E422 N423	F415-A419 WeakPolarHBondContact O-CB 3.47Å; F415-A419 PolarHBondContact O-N 3.2Å; E416-A419 PolarHBondContact O-N 3.44Å; R417-A419 VanDerWaalsContact C-N 3.34Å; A419-E422 PolarHBondContact O-N 3.32Å; A419-N423 WeakPolarHBondContact O-CB 3.48Å; A419-N423 PolarHBondContact O-N 3.12Å; A419-N423 PolarHBondContact O-ND2 2.92Å; A419-N423 VanDerWaalsContact O-ND2 3.09Å
420	E	91.4	Very high	86.7	Confident	117 Å²	117	102.3 Å²	102.3	55%	0.547	53%	0.528	S	S	.	.	H	α-helix	trans	-63.8	-43.5	172.9	-74.9	-179	-178.7	0	0	112.3	E416 R417 N423 K424	E416-E420 WeakPolarHBondContact O-CG 3.47Å; E416-E420 PolarHBondContact O-N 3.4Å; R417-E420 PolarHBondContact O-N 3.45Å; E420-N423 PolarHBondContact O-N 3.32Å; E420-K424 WeakPolarHBondContact O-CB 3.28Å; E420-K424 WeakPolarHBondContact O-CG 3.49Å; E420-K424 PolarHBondContact O-N 2.87Å
421	E	89.1	Confident	84.8	Confident	95 Å²	95	101.6 Å²	101.6	44%	0.444	53%	0.532	S	S	.	.	H	α-helix	trans	-64.6	-41.3	175.8	-76.9	178.9	-172.2	0	0	111.6	R417 L418 K424 A425	R417-E421 IonicContact CZ-OE1 3.52Å; R417-E421 IonicContact NE-OE1 2.74Å; R417-E421 PolarHBondContact NE-OE1 2.97Å; R417-E421 IonicContact NH2-OE1 3.51Å; R417-E421 PolarHBondContact O-N 2.91Å; L418-E421 PolarHBondContact O-N 3.04Å; E421-K424 PolarHBondContact O-N 3.23Å; E421-A425 WeakPolarHBondContact O-CB 3.22Å; E421-A425 PolarHBondContact O-N 3.3Å
422	E	89.8	Confident	82.5	Confident	109 Å²	109	97 Å²	97	51%	0.509	53%	0.531	S	S	.	.	H	α-helix	trans	-65.3	-40.2	176	-163.1	-170.7	162.6	0	0	111.7	L418 A419 A425 K426	L418-E422 WeakPolarHBondContact O-CB 3.16Å; L418-E422 PolarHBondContact O-N 3.22Å; A419-E422 PolarHBondContact O-N 3.32Å; E422-A425 PolarHBondContact O-N 3.48Å; E422-K426 WeakPolarHBondContact O-CB 3.32Å; E422-K426 WeakPolarHBondContact O-CG 3.45Å; E422-K426 PolarHBondContact O-N 3.17Å; E422-K426 VanDerWaalsContact OE1-CE 3.29Å; E422-K426 WeakPolarHBondContact OE1-CE 3.46Å; E422-K426 IonicContact OE1-NZ 2.66Å; E422-K426 PolarHBondContact OE1-NZ 3.16Å
423	N	89.1	Confident	79.9	Confident	100 Å²	100	102.2 Å²	102.2	54%	0.535	55%	0.552	S	S	.	*	H	α-helix	trans	-67.6	-38.5	175.8	-74.3	-30.5	0	0	0	111.9	A419 E420 K426 A427	A419-N423 WeakPolarHBondContact O-CB 3.48Å; A419-N423 PolarHBondContact O-N 3.12Å; A419-N423 PolarHBondContact O-ND2 2.92Å; A419-N423 VanDerWaalsContact O-ND2 3.09Å; E420-N423 PolarHBondContact O-N 3.32Å; N423-K426 PolarHBondContact O-N 2.7Å; N423-A427 WeakPolarHBondContact O-CB 3.26Å; N423-A427 PolarHBondContact O-N 3.12Å
424	K	87.1	Confident	77.3	Confident	133 Å²	133	106.7 Å²	106.7	58%	0.578	57%	0.57	S	S	*	*	H	α-helix	trans	-63.2	-46	171.9	-78.9	179	-178.7	175.1	0	111.5	E420 E421 K426 A427 E428	E420-K424 WeakPolarHBondContact O-CB 3.28Å; E420-K424 WeakPolarHBondContact O-CG 3.49Å; E420-K424 PolarHBondContact O-N 2.87Å; E421-K424 PolarHBondContact O-N 3.23Å; K424-K426 VanDerWaalsContact C-N 3.32Å; K424-K426 PolarHBondContact O-N 3.17Å; K424-A427 CarbonylContact O-C 3.47Å; K424-A427 PolarHBondContact O-N 3.38Å; K424-A427 VanDerWaalsContact O-N 3.13Å; K424-E428 WeakPolarHBondContact O-CB 3.49Å; K424-E428 WeakPolarHBondContact O-CG 3.44Å; K424-E428 PolarHBondContact O-N 3.4Å
425	A	81.8	Confident	74.7	Confident	55 Å²	55	107.2 Å²	107.2	46%	0.455	58%	0.581	S	S	.	*	H	α-helix	trans	-61.1	-39.3	176.6	0	0	0	0	0	112.2	E421 E422 E428 A429	E421-A425 WeakPolarHBondContact O-CB 3.22Å; E421-A425 PolarHBondContact O-N 3.3Å; E422-A425 PolarHBondContact O-N 3.48Å; A425-E428 PolarHBondContact O-N 3.49Å; A425-A429 VanDerWaalsContact O-CB 3.29Å; A425-A429 WeakPolarHBondContact O-CB 3.35Å; A425-A429 PolarHBondContact O-N 3.12Å
426	K	80.9	Confident	71.9	Confident	116 Å²	116	105.9 Å²	105.9	50%	0.504	59%	0.586	S	S	.	*	H	α-helix	trans	-67.1	-37.6	173.6	-75.4	172.9	-174.1	162.9	0	112.6	E422 N423 K424 A429 S430	E422-K426 WeakPolarHBondContact O-CB 3.32Å; E422-K426 WeakPolarHBondContact O-CG 3.45Å; E422-K426 PolarHBondContact O-N 3.17Å; E422-K426 VanDerWaalsContact OE1-CE 3.29Å; E422-K426 WeakPolarHBondContact OE1-CE 3.46Å; E422-K426 IonicContact OE1-NZ 2.66Å; E422-K426 PolarHBondContact OE1-NZ 3.16Å; N423-K426 PolarHBondContact O-N 2.7Å; K424-K426 VanDerWaalsContact C-N 3.32Å; K424-K426 PolarHBondContact O-N 3.17Å; K426-A429 PolarHBondContact O-N 2.88Å; K426-S430 WeakPolarHBondContact O-CB 3.42Å; K426-S430 PolarHBondContact O-N 3.38Å; K426-S430 PolarHBondContact O-OG 3.37Å
427	A	75.8	Confident	69.2	Low	51 Å²	51	108.2 Å²	108.2	42%	0.421	60%	0.602	S	S	.	*	H	α-helix	trans	-70.2	-36.5	176.1	0	0	0	0	0	112.2	N423 K424 S430 S431	N423-A427 WeakPolarHBondContact O-CB 3.26Å; N423-A427 PolarHBondContact O-N 3.12Å; K424-A427 CarbonylContact O-C 3.47Å; K424-A427 PolarHBondContact O-N 3.38Å; K424-A427 VanDerWaalsContact O-N 3.13Å; A427-S430 WeakPolarHBondContact CA-OG 3.44Å; A427-S430 PolarHBondContact O-N 3.23Å; A427-S430 PolarHBondContact O-OG 2.9Å; A427-S431 VanDerWaalsContact O-CB 3.31Å; A427-S431 WeakPolarHBondContact O-CB 3.33Å; A427-S431 PolarHBondContact O-N 2.96Å; A427-S431 PolarHBondContact O-OG 3.04Å
428	E	71.6	Confident	66.3	Low	139 Å²	139	106.1 Å²	106.1	65%	0.65	61%	0.608	S	S	*	*	H	α-helix	trans	-69.3	-37.9	172.7	-73.1	174.1	-176.6	0	0	111.2	K424 A425 S431 G432	K424-E428 WeakPolarHBondContact O-CB 3.49Å; K424-E428 WeakPolarHBondContact O-CG 3.44Å; K424-E428 PolarHBondContact O-N 3.4Å; A425-E428 PolarHBondContact O-N 3.49Å; E428-S431 WeakPolarHBondContact CA-OG 3.36Å; E428-S431 PolarHBondContact O-OG 2.72Å; E428-G432 PolarHBondContact O-N 3.45Å
429	A	66.9	Low	63.4	Low	82 Å²	82	110 Å²	110	68%	0.678	62%	0.623	S	S	*	*	H	α-helix	trans	-69.3	-29	173.3	0	0	0	0	0	113.5	A425 K426	A425-A429 VanDerWaalsContact O-CB 3.29Å; A425-A429 WeakPolarHBondContact O-CB 3.35Å; A425-A429 PolarHBondContact O-N 3.12Å; K426-A429 PolarHBondContact O-N 2.88Å
430	S	60.9	Low	60.8	Low	98 Å²	98	117.5 Å²	117.5	69%	0.685	66%	0.655	S	S	*	*	H	α-helix	trans	-89.6	-14.8	177.4	69.5	0	0	0	0	114.2	K426 A427	K426-S430 WeakPolarHBondContact O-CB 3.42Å; K426-S430 PolarHBondContact O-N 3.38Å; K426-S430 PolarHBondContact O-OG 3.37Å; A427-S430 WeakPolarHBondContact CA-OG 3.44Å; A427-S430 PolarHBondContact O-N 3.23Å; A427-S430 PolarHBondContact O-OG 2.9Å
431	S	54.8	Low	58	Low	89 Å²	89	121.3 Å²	121.3	62%	0.622	67%	0.67	S	S	*	*	S	Bend	trans	-98.3	4.4	171.7	56.3	0	0	0	0	113.4	A427 E428 D433	A427-S431 VanDerWaalsContact O-CB 3.31Å; A427-S431 WeakPolarHBondContact O-CB 3.33Å; A427-S431 PolarHBondContact O-N 2.96Å; A427-S431 PolarHBondContact O-OG 3.04Å; E428-S431 WeakPolarHBondContact CA-OG 3.36Å; E428-S431 PolarHBondContact O-OG 2.72Å; S431-D433 PolarHBondContact O-N 2.73Å
432	G	44.9	Very low	55.5	Low	55 Å²	55	125.5 Å²	125.5	57%	0.567	69%	0.689	S	S	*	*	S	Bend	trans	-66.7	95.6	161.2	0	0	0	0	0	109.9	E428 H434	E428-G432 PolarHBondContact O-N 3.45Å; G432-H434 PolarHBondContact O-N 3.32Å
433	D	40.5	Very low	52.8	Low	155 Å²	155	129 Å²	129	83%	0.829	71%	0.705	S	S	*	*			trans	-36.1	121.7	162.2	-107.1	-26.9	0	0	0	110	S431 P435	S431-D433 PolarHBondContact O-N 2.73Å; D433-P435 WeakPolarHBondContact O-CD 3.33Å
434	H	37.7	Very low	50.1	Low	181 Å²	181	133.6 Å²	133.6	84%	0.838	72%	0.724	S	S	*	*			trans	-68	113	156.2	-104.2	-39.5	0	0	0	106.9	G432 T436	G432-H434 PolarHBondContact O-N 3.32Å; H434-T436 PolarHBondContact O-N 3.34Å
435	P	38.9	Very low	47.6	Very low	112 Å²	112	136.4 Å²	136.4	73%	0.727	74%	0.736	S	S	*	*			trans	-67.3	124.4	154.8	-1.7	21.9	0	0	0	105.7	D433 D437	D433-P435 WeakPolarHBondContact O-CD 3.33Å; P435-D437 PolarHBondContact O-N 3.49Å
436	T	35.9	Very low	45.2	Very low	124 Å²	124	138.6 Å²	138.6	76%	0.761	75%	0.748	S	S	*	*			trans	-33.4	131.7	168.6	42.6	0	0	0	0	113.2	H434 T438	H434-T436 PolarHBondContact O-N 3.34Å; T436-T438 PolarHBondContact O-N 3.48Å; T436-T438 VanDerWaalsContact O-N 3.08Å
437	D	35.5	Very low	43	Very low	169 Å²	169	140.1 Å²	140.1	90%	0.904	76%	0.762	S	S	*	*			trans	-44.4	113.1	160.5	-86.2	-40.6	0	0	0	110.2	P435	P435-D437 PolarHBondContact O-N 3.49Å
438	T	33.8	Very low	40.9	Very low	119 Å²	119	144.7 Å²	144.7	73%	0.73	78%	0.784	S	S	*	*			trans	-148.3	125	148.5	-26.1	0	0	0	0	109	T436	T436-T438 PolarHBondContact O-N 3.48Å; T436-T438 VanDerWaalsContact O-N 3.08Å
439	E	32.3	Very low	39.2	Very low	178 Å²	178	142.8 Å²	142.8	83%	0.832	79%	0.792	S	S	*	*			trans	83.8	88.7	166.1	-52.5	-163.6	144.4	0	0	118	K441	E439-K441 PolarHBondContact O-N 3.1Å
440	M	37.3	Very low	37.5	Very low	191 Å²	191	142.4 Å²	142.4	94%	0.941	80%	0.797	S	S	*	*			trans	-51.6	118.2	137.5	-73.1	176.6	65.1	0	0	109.4
441	K	34.4	Very low	36.2	Very low	196 Å²	196	143.5 Å²	143.5	85%	0.852	81%	0.805	S	S	*	*			trans	-148	132.8	143.7	-113.5	175.8	-175.3	176.9	0	111	E439	E439-K441 PolarHBondContact O-N 3.1Å
442	E	34.8	Very low	35.3	Very low	183 Å²	183	148 Å²	148	86%	0.855	82%	0.816	S	S	*	*			trans	-51.5	140.4	179.6	-62.7	162.1	128.7	0	0	112.4
443	E	33.5	Very low	34.7	Very low	182 Å²	182	151 Å²	151	85%	0.85	83%	0.828	S	S	*	*				167.1	118.6	123.4	-94.3	179.8	165.1	0	0	108.3
444	Q	31.9	Very low	34.6	Very low	198 Å²	198	152.1 Å²	152.1	93%	0.925	83%	0.828	S	S	*	*				-174.8	130.2	117.7	-100.2	171	8	0	0	113
445	K	35	Very low	34.6	Very low	192 Å²	192	149.8 Å²	149.8	84%	0.835	83%	0.826	S	S	*	*			trans	-67.7	152.8	166.5	-75	171.3	171.1	170.1	0	111.1
446	S	32.2	Very low	34.6	Very low	100 Å²	100	153.9 Å²	153.9	70%	0.699	84%	0.836	S	S	*	*			trans	83	123.2	136.9	68.7	0	0	0	0	120.6
447	N	34.4	Very low	34.9	Very low	149 Å²	149	153.7 Å²	153.7	80%	0.797	84%	0.835	S	S	*	*			trans	94.2	98.4	139.9	-66.7	-6.9	0	0	0	118.6
448	T	31.9	Very low	35.3	Very low	146 Å²	146	154.9 Å²	154.9	90%	0.896	84%	0.835	S	S	*	*			trans	-148.2	96.8	137.5	-12.9	0	0	0	0	110.2
449	A	35.1	Very low	36	Very low	99 Å²	99	157.4 Å²	157.4	82%	0.818	87%	0.868	S	S	*	*			trans	-68.3	131.3	140.9	0	0	0	0	0	105.5
450	G	32.1	Very low	36.1	Very low	75 Å²	75	156.4 Å²	156.4	77%	0.773	87%	0.87	S	S	*	*				99.4	97	50.2	0	0	0	0	0	107.3
451	S	33.7	Very low	36.1	Very low	121 Å²	121	154.6 Å²	154.6	85%	0.846	87%	0.866	S	S	*	*			trans	177.5	117.6	138.6	-170.8	0	0	0	0	110
452	Q	34.7	Very low	36.2	Very low	184 Å²	184	152.3 Å²	152.3	86%	0.86	87%	0.867	S	S	*	*			trans	-68.4	155.5	161.5	-67.6	165.6	-54.1	0	0	110.1
453	S	34	Very low	36.3	Very low	118 Å²	118	150.5 Å²	150.5	83%	0.825	87%	0.868	S	S	*	*			trans	-143.6	118.9	145.5	48.3	0	0	0	0	110.5
454	Q	37.2	Very low	36.4	Very low	178 Å²	178	148.5 Å²	148.5	83%	0.832	87%	0.869	S	S	*	*			trans	-59	139.3	161.3	-66.8	163.3	-47.7	0	0	108.3
455	V	37.3	Very low	36.7	Very low	131 Å²	131	145.2 Å²	145.2	79%	0.794	87%	0.865	S	S	*	*				46.7	86.6	70.7	-165.8	0	0	0	0	112.8
456	E	40.4	Very low	36.9	Very low	199 Å²	199	141.9 Å²	141.9	93%	0.93	87%	0.867	S	S	*	*			trans	-102.5	116	157.9	-82.1	-179.8	165.4	0	0	109.1
457	T	41.7	Very low	37.2	Very low	120 Å²	120	145.1 Å²	145.1	74%	0.736	88%	0.88	S	S	*	*			trans	-93.6	136.9	153.4	41.7	0	0	0	0	107.9
458	E	44.5	Very low	37.5	Very low	193 Å²	193	144.8 Å²	144.8	90%	0.902	89%	0.887	S	S	*	*			trans	-167.2	118.4	148.8	-104.3	166.4	-162.5	0	0	105.8
459	A	46.9	Very low	38	Very low	173 Å²	173	144.6 Å²	144.6	100%	1.43	89%	0.886	S	S	*	*				82.1	0	75.2	0	0	0	0	0	111.9

Retrieved 459 of 459 residues in 267.4 ms (Link to these results)

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