A0A087YLW0_POEFO Loading...

peptidylprolyl isomerase

AlphaFold DB , UniProt , Accession A0A087YLW0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 448 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	35.7	Very low	234 Å²	234	156.1 Å²	156.1	100%	1.153	85%	0.852	S	S	*	*				0	116.3	0	-70.2	-173.6	-98.9	0	0	106.3
2	T	34.6	Very low	36.6	Very low	129 Å²	129	156.3 Å²	156.3	79%	0.791	85%	0.852	S	S	*	*			cis	-174.1	145.6	-2.2	10.3	0	0	0	0	104.3
3	A	33.2	Very low	38.4	Very low	81 Å²	81	151.4 Å²	151.4	67%	0.669	83%	0.83	S	S	*	*			trans	41.9	131.5	138.5	0	0	0	0	0	118.6
4	E	33.8	Very low	40.5	Very low	174 Å²	174	144.9 Å²	144.9	81%	0.813	79%	0.792	S	S	*	*			cis	-165.8	121.8	21.9	-94.3	140.5	-174.9	0	0	106.1
5	E	39.1	Very low	42.6	Very low	206 Å²	206	141.1 Å²	141.1	96%	0.963	78%	0.777	S	S	*	*			trans	-122.2	86.5	153.2	-85.9	-175.3	165.5	0	0	105.7
6	Q	33.1	Very low	44.8	Very low	183 Å²	183	139 Å²	139	86%	0.855	76%	0.761	S	S	*	*			trans	-121.3	109.4	161.9	-80.8	-173.9	-19.5	0	0	107.7	S8	Q6-S8 PolarHBondContact O-N 3.46Å
7	N	32.5	Very low	47.1	Very low	164 Å²	164	138.5 Å²	138.5	88%	0.877	75%	0.752	S	S	*	*			trans	-39	120.2	164.8	-91.3	-29.6	0	0	0	110.7	E9	N7-E9 PolarHBondContact O-N 3.47Å
8	S	34.7	Very low	49.6	Very low	116 Å²	116	132.7 Å²	132.7	81%	0.811	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-63.4	116.1	163.9	56.2	0	0	0	0	108.7	Q6	Q6-S8 PolarHBondContact O-N 3.46Å
9	E	37	Very low	52	Low	182 Å²	182	132.7 Å²	132.7	85%	0.85	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-49.6	136.6	171.7	-65.9	175.3	148	0	0	110.9	N7 Q11	N7-E9 PolarHBondContact O-N 3.47Å; E9-Q11 PolarHBondContact O-N 3.27Å; E9-Q11 VanDerWaalsContact O-N 3.12Å
10	G	39.1	Very low	54.3	Low	76 Å²	76	127.7 Å²	127.7	78%	0.784	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-57.8	116.5	178.8	0	0	0	0	0	110.8	N12	G10-N12 PolarHBondContact O-N 3.21Å
11	Q	42	Very low	56.4	Low	172 Å²	172	122.8 Å²	122.8	80%	0.804	67%	0.67	S	S	*	*			trans	-64	106	165.8	-78.2	178.9	-20.9	0	0	107.8	E9 T13	E9-Q11 PolarHBondContact O-N 3.27Å; E9-Q11 VanDerWaalsContact O-N 3.12Å; Q11-T13 HydrophobicContact CB-CG2 4.23Å; Q11-T13 PolarHBondContact O-N 2.99Å
12	N	46.7	Very low	59.4	Low	159 Å²	159	111.7 Å²	111.7	85%	0.85	62%	0.615	S	S	*	*			trans	-72.1	72.5	176.3	-146.1	18.9	0	0	0	108.2	G10	G10-N12 PolarHBondContact O-N 3.21Å
13	T	59.2	Low	62.2	Low	92 Å²	92	111 Å²	111	56%	0.564	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-75.2	131.9	178.6	51.2	0	0	0	0	109	Q11	Q11-T13 HydrophobicContact CB-CG2 4.23Å; Q11-T13 PolarHBondContact O-N 2.99Å
14	M	68	Low	65.2	Low	61 Å²	61	115.1 Å²	115.1	30%	0.3	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-59.4	138.1	178	-68.3	-152.2	-154.3	0	0	110.7	M16 V125	M14-M16 PolarHBondContact O-N 2.84Å; M14-V125 HydrophobicContact SD-CG1 4.27Å
15	P	71.6	Confident	68.1	Low	88 Å²	88	113.1 Å²	113.1	57%	0.571	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-58.4	130.5	174.9	-19	29.4	0	0	0	110.8	E17	P15-E17 HydrophobicContact CB-CG 4.05Å; P15-E17 PolarHBondContact O-N 3.14Å
16	M	77.7	Confident	70.9	Confident	107 Å²	107	106.5 Å²	106.5	53%	0.527	58%	0.576	S	S	.	*			trans	-82	69.1	174	-67.6	-144.3	-157.1	0	0	110.8	M14 L30 L58 I102	M14-M16 PolarHBondContact O-N 2.84Å; M16-L30 HydrophobicContact CB-CD1 4.47Å; M16-L58 HydrophobicContact CE-CD1 3.83Å; M16-L58 HydrophobicContact CE-CD2 4.32Å; M16-I102 HydrophobicContact SD-CG2 4.36Å
17	E	84.5	Confident	73.9	Confident	130 Å²	130	98.6 Å²	98.6	61%	0.607	54%	0.543	S	S	*	.			trans	-107.2	140.4	178.4	-66.4	-179.1	-179	0	0	110.8	P15	P15-E17 HydrophobicContact CB-CG 4.05Å; P15-E17 PolarHBondContact O-N 3.14Å
18	G	91.9	Very high	76.9	Confident	35 Å²	35	90.9 Å²	90.9	36%	0.361	50%	0.502	S	S	.	.	S	Bend	trans	154.9	162.9	176.8	0	0	0	0	0	113.3	K31	G18-K31 CarbonylContact C-O 3.33Å; G18-K31 VanDerWaalsContact CA-O 3.23Å; G18-K31 WeakPolarHBondContact CA-O 3.47Å
19	E	96.4	Very high	79.9	Confident	133 Å²	133	85.3 Å²	85.3	62%	0.621	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	131.2	172.1	-174.9	-176.1	171.1	0	0	110.1	I21 L30 K31	E19-I21 HydrophobicContact CG-CG2 4.43Å; E19-I21 PolarHBondContact O-N 3.12Å; E19-L30 CarbonylContact O-C 3.52Å; E19-L30 WeakPolarHBondContact O-CA 3.45Å; E19-K31 PolarHBondContact N-O 3.09Å; E19-K31 PolarHBondContact O-N 3.46Å
20	D	97.6	Very high	82.8	Confident	31 Å²	31	78 Å²	78	17%	0.166	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	110.6	172.4	-178.1	8.8	0	0	0	110.8	T22 K25 D26 G27 L30	D20-T22 PolarHBondContact OD1-N 2.73Å; D20-T22 PolarHBondContact OD1-OG1 2.63Å; D20-K25 PolarHBondContact O-NZ 3.21Å; D20-K25 WeakPolarHBondContact OD2-CA 3.49Å; D20-D26 PolarHBondContact OD2-N 3.27Å; D20-G27 WeakPolarHBondContact OD2-CA 3.21Å; D20-G27 PolarHBondContact OD2-N 2.98Å; D20-L30 HydrophobicContact CB-CD2 3.88Å
21	I	97.4	Very high	85.7	Confident	25 Å²	25	75.2 Å²	75.2	13%	0.128	40%	0.396	C	S	.	.			trans	-100.5	6.9	-177.7	58.5	167	0	0	0	113	E19 V29 K31 I88 T92 L101	E19-I21 HydrophobicContact CG-CG2 4.43Å; E19-I21 PolarHBondContact O-N 3.12Å; I21-V29 HydrophobicContact CD1-CG1 3.85Å; I21-V29 HydrophobicContact CG1-CB 4.07Å; I21-V29 HydrophobicContact CG1-CG1 3.82Å; I21-V29 WeakPolarHBondContact CG1-O 3.14Å; I21-V29 PolarHBondContact N-O 3.31Å; I21-V29 VanDerWaalsContact N-O 3.1Å; I21-K31 HydrophobicContact CD1-CB 3.96Å; I21-K31 HydrophobicContact CD1-CD 4.3Å; I21-K31 HydrophobicContact CG1-CB 4.31Å; I21-K31 HydrophobicContact CG2-CB 4.03Å; I21-K31 HydrophobicContact CG2-CD 4.45Å; I21-I88 HydrophobicContact CB-CG2 4.44Å; I21-I88 HydrophobicContact CD1-CG2 3.96Å; I21-I88 HydrophobicContact CG1-CG2 3.99Å; I21-I88 WeakPolarHBondContact O-CG2 3.23Å; I21-T92 HydrophobicContact CD1-CG2 4.33Å; I21-L101 HydrophobicContact CD1-CD2 4.28Å
22	T	97	Very high	88.3	Confident	1 Å²	1	70.3 Å²	70.3	1%	0.006	38%	0.375	C	S	.	.			trans	-72.3	143.4	176.8	74.1	0	0	0	0	111.2	D20 K24 K25 D26 V29 Y107	D20-T22 PolarHBondContact OD1-N 2.73Å; D20-T22 PolarHBondContact OD1-OG1 2.63Å; T22-K24 PolarHBondContact O-N 2.85Å; T22-K25 PolarHBondContact O-N 3.14Å; T22-K25 VanDerWaalsContact O-N 3.1Å; T22-K25 PolarHBondContact OG1-N 3.2Å; T22-K25 VanDerWaalsContact OG1-N 3.09Å; T22-D26 WeakPolarHBondContact CB-OD1 3.36Å; T22-D26 WeakPolarHBondContact CG2-OD1 3.43Å; T22-D26 PolarHBondContact OG1-N 2.98Å; T22-D26 PolarHBondContact OG1-OD1 3.32Å; T22-V29 HydrophobicContact CG2-CB 3.75Å; T22-V29 HydrophobicContact CG2-CG2 3.76Å; T22-V29 VanDerWaalsContact CG2-N 3.27Å; T22-Y107 HydrophobicContact CG2-CE1 4.06Å; T22-Y107 HydrophobicContact CG2-CE2 4.3Å
23	P	93.6	Very high	90.7	Very high	114 Å²	114	65.3 Å²	65.3	74%	0.74	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-29.7	173.9	-26.6	34.8	0	0	0	113.3
24	K	95.6	Very high	92.5	Very high	168 Å²	168	65.6 Å²	65.6	73%	0.73	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-9.3	-179.5	-66.8	-176.4	-179.5	179.3	0	113.9	T22 D26	T22-K24 PolarHBondContact O-N 2.85Å; K24-D26 VanDerWaalsContact C-N 3.27Å; K24-D26 HydrophobicContact CB-CB 4.33Å; K24-D26 PolarHBondContact O-N 2.97Å
25	K	96.3	Very high	94	Very high	132 Å²	132	68.3 Å²	68.3	57%	0.574	35%	0.351	S	S	*	.			trans	50.6	47	-174	-59.2	-66.1	178.3	175.2	0	112.9	D20 T22	D20-K25 PolarHBondContact O-NZ 3.21Å; D20-K25 WeakPolarHBondContact OD2-CA 3.49Å; T22-K25 PolarHBondContact O-N 3.14Å; T22-K25 VanDerWaalsContact O-N 3.1Å; T22-K25 PolarHBondContact OG1-N 3.2Å; T22-K25 VanDerWaalsContact OG1-N 3.09Å
26	D	96.4	Very high	95.2	Very high	68 Å²	68	70.1 Å²	70.1	36%	0.364	35%	0.352	S	S	.	.	S	Bend	trans	-101.4	7.7	-176.8	61.9	1.6	0	0	0	113.6	D20 T22 K24 G28 K104 Y107	D20-D26 PolarHBondContact OD2-N 3.27Å; T22-D26 WeakPolarHBondContact CB-OD1 3.36Å; T22-D26 WeakPolarHBondContact CG2-OD1 3.43Å; T22-D26 PolarHBondContact OG1-N 2.98Å; T22-D26 PolarHBondContact OG1-OD1 3.32Å; K24-D26 VanDerWaalsContact C-N 3.27Å; K24-D26 HydrophobicContact CB-CB 4.33Å; K24-D26 PolarHBondContact O-N 2.97Å; D26-G28 PolarHBondContact O-N 2.95Å; D26-G28 PolarHBondContact OD1-N 2.74Å; D26-K104 PolarHBondContact O-NZ 2.81Å; D26-Y107 VanDerWaalsContact CG-OH 3.28Å; D26-Y107 PolarHBondContact OD1-OH 2.77Å; D26-Y107 WeakPolarHBondContact OD2-CE2 3.36Å; D26-Y107 PolarHBondContact OD2-OH 3.35Å
27	G	95.9	Very high	96.1	Very high	17 Å²	17	65.7 Å²	65.7	18%	0.175	33%	0.333	C	S	.	.	S	Bend	trans	61.3	25.2	-175.3	0	0	0	0	0	112.8	D20 K104	D20-G27 WeakPolarHBondContact OD2-CA 3.21Å; D20-G27 PolarHBondContact OD2-N 2.98Å; G27-K104 WeakPolarHBondContact O-CD 3.46Å; G27-K104 WeakPolarHBondContact O-CE 3.47Å; G27-K104 PolarHBondContact O-NZ 3.45Å; G27-K104 VanDerWaalsContact O-NZ 3.14Å
28	G	96.8	Very high	96.5	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.01	33%	0.334	C	S	.	.	S	Bend	trans	-72.1	-30.7	-179.4	0	0	0	0	0	113.8	D26 K104	D26-G28 PolarHBondContact O-N 2.95Å; D26-G28 PolarHBondContact OD1-N 2.74Å; G28-K104 PolarHBondContact O-N 3.31Å
29	V	98.3	Very high	96.4	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	109.1	-179.8	-172.1	0	0	0	0	108	I21 T22 A85 I88 I102 Y107	I21-V29 HydrophobicContact CD1-CG1 3.85Å; I21-V29 HydrophobicContact CG1-CB 4.07Å; I21-V29 HydrophobicContact CG1-CG1 3.82Å; I21-V29 WeakPolarHBondContact CG1-O 3.14Å; I21-V29 PolarHBondContact N-O 3.31Å; I21-V29 VanDerWaalsContact N-O 3.1Å; T22-V29 HydrophobicContact CG2-CB 3.75Å; T22-V29 HydrophobicContact CG2-CG2 3.76Å; T22-V29 VanDerWaalsContact CG2-N 3.27Å; V29-A85 HydrophobicContact CG1-CB 4.2Å; V29-A85 HydrophobicContact CG2-CB 3.7Å; V29-I88 HydrophobicContact CG2-CD1 4.37Å; V29-I102 WeakPolarHBondContact CA-O 3.24Å; V29-Y107 HydrophobicContact CG2-CD1 3.89Å; V29-Y107 HydrophobicContact CG2-CD2 4.45Å; V29-Y107 HydrophobicContact CG2-CG 3.82Å
30	L	98.1	Very high	96	Very high	27 Å²	27	64.3 Å²	64.3	14%	0.141	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	134.7	175.3	-54	177.9	0	0	0	109.4	M16 E19 D20 L101 I102	M16-L30 HydrophobicContact CB-CD1 4.47Å; E19-L30 CarbonylContact O-C 3.52Å; E19-L30 WeakPolarHBondContact O-CA 3.45Å; D20-L30 HydrophobicContact CB-CD2 3.88Å; L30-L101 CarbonylContact O-C 3.55Å; L30-L101 WeakPolarHBondContact O-CA 3.25Å; L30-I102 HydrophobicContact CB-CB 4.23Å; L30-I102 PolarHBondContact N-O 2.95Å; L30-I102 PolarHBondContact O-N 3.39Å
31	K	98.1	Very high	95.7	Very high	19 Å²	19	67.4 Å²	67.4	8%	0.083	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.5	179	-178.3	-177.6	178.3	-169.2	0	111.1	G18 E19 I21 T92 E97 C99 Q100 L101	G18-K31 CarbonylContact C-O 3.33Å; G18-K31 VanDerWaalsContact CA-O 3.23Å; G18-K31 WeakPolarHBondContact CA-O 3.47Å; E19-K31 PolarHBondContact N-O 3.09Å; E19-K31 PolarHBondContact O-N 3.46Å; I21-K31 HydrophobicContact CD1-CB 3.96Å; I21-K31 HydrophobicContact CD1-CD 4.3Å; I21-K31 HydrophobicContact CG1-CB 4.31Å; I21-K31 HydrophobicContact CG2-CB 4.03Å; I21-K31 HydrophobicContact CG2-CD 4.45Å; K31-T92 VanDerWaalsContact CD-OG1 3.3Å; K31-T92 WeakPolarHBondContact CD-OG1 3.34Å; K31-T92 WeakPolarHBondContact CE-OG1 3.36Å; K31-T92 PolarHBondContact NZ-O 3.31Å; K31-T92 PolarHBondContact NZ-OG1 3.06Å; K31-E97 WeakPolarHBondContact CE-OE1 3.39Å; K31-E97 IonicContact NZ-OE1 2.78Å; K31-E97 PolarHBondContact NZ-OE1 3.32Å; K31-E97 IonicContact NZ-OE2 2.62Å; K31-C99 HydrophobicContact CG-CB 4.15Å; K31-Q100 CarbonylContact C-O 3.47Å; K31-Q100 WeakPolarHBondContact CA-O 3.47Å; K31-L101 HydrophobicContact CB-CD2 3.86Å; K31-L101 HydrophobicContact CD-CD2 4.41Å; K31-L101 HydrophobicContact CG-CD2 3.85Å
32	L	97.5	Very high	95.5	Very high	68 Å²	68	70.2 Å²	70.2	36%	0.356	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	116.3	170.6	178.3	64.9	0	0	0	109.5	K34 C99 Q100	L32-K34 PolarHBondContact O-N 3.26Å; L32-C99 CarbonylContact O-C 3.57Å; L32-C99 VanDerWaalsContact O-CA 3.3Å; L32-C99 WeakPolarHBondContact O-CA 3.2Å; L32-C99 WeakPolarHBondContact O-CB 3.44Å; L32-Q100 HydrophobicContact CB-CB 4.44Å; L32-Q100 PolarHBondContact N-O 3.26Å; L32-Q100 PolarHBondContact O-N 2.87Å
33	V	97.7	Very high	95.4	Very high	54 Å²	54	70.4 Å²	70.4	33%	0.327	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	121	176.2	-178.9	0	0	0	0	109.1	E36 E97	V33-E36 HydrophobicContact CG1-CG 4.47Å; V33-E97 HydrophobicContact CG1-CG 4.14Å
34	K	97.1	Very high	95.4	Very high	99 Å²	99	67.5 Å²	67.5	43%	0.43	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-33.4	176.1	-72.4	179.4	163.8	174.9	0	111.8	L32 L98 Q100 E127	L32-K34 PolarHBondContact O-N 3.26Å; K34-L98 WeakPolarHBondContact CA-O 3.28Å; K34-L98 HydrophobicContact CB-CD2 4.23Å; K34-L98 HydrophobicContact CB-CG 4.22Å; K34-L98 WeakPolarHBondContact CB-O 3.38Å; K34-L98 PolarHBondContact N-O 2.83Å; K34-Q100 HydrophobicContact CD-CB 4.48Å; K34-E127 HydrophobicContact CD-CG 4.48Å; K34-E127 WeakPolarHBondContact CD-OE2 3.08Å; K34-E127 IonicContact NZ-OE2 3.47Å; K34-E127 PolarHBondContact NZ-OE2 3.41Å
35	R	97.9	Very high	95.1	Very high	118 Å²	118	62.7 Å²	62.7	45%	0.445	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	129.1	173.7	-170	-179.6	66.6	-154.2	-2.3	109.1	G96 E97 L98 E129	R35-G96 PolarHBondContact NE-O 2.9Å; R35-G96 PolarHBondContact NH2-O 3.25Å; R35-E97 WeakPolarHBondContact O-CA 3.32Å; R35-E97 WeakPolarHBondContact O-CG 3.27Å; R35-L98 HydrophobicContact CB-CB 3.87Å; R35-L98 PolarHBondContact N-O 3.08Å; R35-L98 PolarHBondContact O-N 2.68Å; R35-E129 IonicContact CZ-OE1 2.77Å; R35-E129 IonicContact NH1-OE1 3.27Å; R35-E129 IonicContact NH2-OE1 3.58Å; R35-E129 PolarHBondContact NH2-OE1 3.44Å
36	E	97.5	Very high	94.7	Very high	126 Å²	126	57 Å²	57	59%	0.589	32%	0.317	S	S	*	.			trans	-63.8	144.9	176.1	-69.6	-64.4	158.7	0	0	111.9	V33	V33-E36 HydrophobicContact CG1-CG 4.47Å
37	G	95.8	Very high	94.7	Very high	13 Å²	13	53.8 Å²	53.8	13%	0.134	30%	0.3	C	S	.	.			trans	-87.1	-175.2	168.2	0	0	0	0	0	112.6	V95	G37-V95 CarbonylContact C-O 3.46Å; G37-V95 VanDerWaalsContact CA-O 3.27Å; G37-V95 WeakPolarHBondContact CA-O 3.4Å
38	T	93.8	Very high	94.6	Very high	103 Å²	103	57.9 Å²	57.9	63%	0.632	31%	0.313	S	S	*	.	B	Isolated β-bridge	trans	-121.5	162.8	178.2	60.9	0	0	0	0	111	V95	T38-V95 PolarHBondContact N-O 2.98Å; T38-V95 PolarHBondContact OG1-O 3.45Å
39	G	90.3	Very high	94.6	Very high	55 Å²	55	57.8 Å²	57.8	57%	0.567	31%	0.312	S	S	*	.	S	Bend	trans	82.1	175.6	-177.5	0	0	0	0	0	113.6	R94	G39-R94 WeakPolarHBondContact O-CD 3.41Å; G39-R94 PolarHBondContact O-NE 3.38Å
40	T	87.6	Confident	94.6	Very high	112 Å²	112	59.7 Å²	59.7	69%	0.687	32%	0.32	S	S	*	.	S	Bend	trans	-107	-14.8	-178.2	49.5	0	0	0	0	113.3
41	D	90.3	Very high	94.6	Very high	96 Å²	96	58.4 Å²	58.4	51%	0.513	31%	0.314	S	S	.	.			trans	-89.5	146.1	-172.2	-61.3	-26.1	0	0	0	111.7	F133	D41-F133 HydrophobicContact CB-CZ 3.84Å
42	F	94.1	Very high	94.6	Very high	83 Å²	83	58.6 Å²	58.6	36%	0.364	32%	0.315	S	S	.	.			trans	-114.9	147.2	174.1	-61.1	-85.3	0	0	0	109.3	T92 R94 R149	F42-T92 WeakPolarHBondContact CE1-O 3.38Å; F42-R94 HydrophobicContact CD1-CG 4.23Å; F42-R94 HydrophobicContact CE1-CG 3.79Å; F42-R94 HydrophobicContact CZ-CG 4.29Å; F42-R149 PolarHBondContact O-NH2 3.05Å
43	P	95.2	Very high	94.6	Very high	6 Å²	6	56.1 Å²	56.1	4%	0.039	30%	0.301	C	S	.	.			trans	-53.2	140.4	168.7	-24.9	33	0	0	0	111.9	V49 L77 M93 L130 F133	P43-V49 HydrophobicContact CB-CG1 3.87Å; P43-V49 HydrophobicContact CG-CG1 4.2Å; P43-L77 HydrophobicContact CB-CD2 3.43Å; P43-L77 VanDerWaalsContact CB-CD2 3.43Å; P43-M93 WeakPolarHBondContact CD-O 3.36Å; P43-L130 HydrophobicContact CG-CD2 3.67Å; P43-F133 HydrophobicContact CB-CB 4.29Å; P43-F133 HydrophobicContact CB-CD1 4.34Å; P43-F133 HydrophobicContact CB-CG 4.17Å; P43-F133 HydrophobicContact CG-CB 4.13Å; P43-F133 HydrophobicContact CG-CD1 3.56Å; P43-F133 HydrophobicContact CG-CE1 4.06Å; P43-F133 HydrophobicContact CG-CG 3.87Å
44	M	93.1	Very high	94.6	Very high	53 Å²	53	55.3 Å²	55.3	26%	0.261	30%	0.296	S	S	.	.			trans	-111.9	163.2	177.9	-63.1	179.6	85.7	0	0	110.5	G46 D47 R149 I151	M44-G46 PolarHBondContact O-N 2.98Å; M44-D47 PolarHBondContact N-OD2 2.98Å; M44-D47 VanDerWaalsContact O-CB 3.29Å; M44-D47 WeakPolarHBondContact O-CB 3.34Å; M44-D47 PolarHBondContact O-N 2.92Å; M44-R149 HydrophobicContact SD-CB 4.05Å; M44-I151 HydrophobicContact CE-CB 4.19Å; M44-I151 HydrophobicContact CE-CG1 3.69Å
45	T	89.1	Confident	94.7	Very high	67 Å²	67	50.6 Å²	50.6	41%	0.411	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	129.4	174.3	-59.9	0	0	0	0	110.2	D47	T45-D47 VanDerWaalsContact C-N 3.35Å
46	G	89.3	Confident	94.6	Very high	12 Å²	12	45.8 Å²	45.8	12%	0.124	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.9	-14	-177	0	0	0	0	0	114.8	M44 L77	M44-G46 PolarHBondContact O-N 2.98Å; G46-L77 PolarHBondContact N-O 2.66Å
47	D	94.6	Very high	94.5	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	24%	0.237	C	C	.	.			trans	-64.2	140	174.6	-72.4	-11	0	0	0	110.2	M44 T45 V49 L77 F133 R134 G135 R149	M44-D47 PolarHBondContact N-OD2 2.98Å; M44-D47 VanDerWaalsContact O-CB 3.29Å; M44-D47 WeakPolarHBondContact O-CB 3.34Å; M44-D47 PolarHBondContact O-N 2.92Å; T45-D47 VanDerWaalsContact C-N 3.35Å; D47-V49 PolarHBondContact O-N 3Å; D47-L77 PolarHBondContact O-N 2.69Å; D47-F133 WeakPolarHBondContact OD2-CD2 3.5Å; D47-R134 CarbonylContact C-O 3.44Å; D47-R134 WeakPolarHBondContact CA-O 3.34Å; D47-G135 WeakPolarHBondContact OD1-CA 3.29Å; D47-R149 IonicContact OD1-NE 2.69Å; D47-R149 IonicContact OD2-CZ 3.29Å; D47-R149 IonicContact OD2-NE 2.68Å; D47-R149 PolarHBondContact OD2-NE 2.84Å; D47-R149 IonicContact OD2-NH2 3.04Å; D47-R149 PolarHBondContact OD2-NH2 3.37Å
48	K	95.2	Very high	94.3	Very high	102 Å²	102	42.3 Å²	42.3	44%	0.443	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	115.5	168.3	-169.9	169.9	-172.2	170.3	0	108.6	F50 F133 R134	K48-F50 HydrophobicContact CD-CE2 4.47Å; K48-F50 HydrophobicContact CD-CZ 4.07Å; K48-F50 HydrophobicContact CG-CE2 4.09Å; K48-F50 HydrophobicContact CG-CZ 4.1Å; K48-F133 CarbonylContact O-C 3.59Å; K48-F133 VanDerWaalsContact O-CA 3.24Å; K48-F133 WeakPolarHBondContact O-CA 3.44Å; K48-R134 PolarHBondContact N-O 2.81Å; K48-R134 PolarHBondContact O-N 3.2Å
49	V	97.1	Very high	94.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	149.6	-179	-59.8	0	0	0	0	110.8	P43 D47 S74 F75 L77 V90 L130 E132 F133	P43-V49 HydrophobicContact CB-CG1 3.87Å; P43-V49 HydrophobicContact CG-CG1 4.2Å; D47-V49 PolarHBondContact O-N 3Å; V49-S74 WeakPolarHBondContact O-CA 3.37Å; V49-S74 WeakPolarHBondContact O-CB 3.45Å; V49-F75 HydrophobicContact CG2-CD1 3.6Å; V49-F75 HydrophobicContact CG2-CD2 3.98Å; V49-F75 HydrophobicContact CG2-CE1 3.29Å; V49-F75 HydrophobicContact CG2-CE2 3.7Å; V49-F75 HydrophobicContact CG2-CG 3.94Å; V49-F75 HydrophobicContact CG2-CZ 3.35Å; V49-F75 WeakPolarHBondContact CG2-O 3.38Å; V49-F75 PolarHBondContact N-O 2.88Å; V49-F75 PolarHBondContact O-N 3.29Å; V49-L77 HydrophobicContact CG1-CB 4.15Å; V49-L77 HydrophobicContact CG1-CD2 4.39Å; V49-V90 HydrophobicContact CB-CG1 4.34Å; V49-V90 HydrophobicContact CG1-CG1 4.23Å; V49-V90 HydrophobicContact CG2-CG1 4.22Å; V49-L130 HydrophobicContact CB-CD1 4.27Å; V49-E132 CarbonylContact C-O 3.59Å; V49-F133 HydrophobicContact CB-CB 4.49Å; V49-F133 HydrophobicContact CG1-CB 3.85Å
50	F	97.6	Very high	94.2	Very high	40 Å²	40	41.6 Å²	41.6	18%	0.175	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	115.8	179.2	-61.4	-96.5	0	0	0	109.5	K48 K72 F131 E132	K48-F50 HydrophobicContact CD-CE2 4.47Å; K48-F50 HydrophobicContact CD-CZ 4.07Å; K48-F50 HydrophobicContact CG-CE2 4.09Å; K48-F50 HydrophobicContact CG-CZ 4.1Å; F50-K72 HydrophobicContact CB-CD 4.45Å; F50-F131 PolarHBondContact O-N 2.89Å; F50-E132 HydrophobicContact CB-CB 4.21Å; F50-E132 HydrophobicContact CD2-CB 3.97Å; F50-E132 HydrophobicContact CD2-CG 4.14Å; F50-E132 HydrophobicContact CG-CB 4.42Å; F50-E132 PolarHBondContact N-O 2.7Å; F50-E132 PolarHBondContact O-N 2.96Å
51	V	98.3	Very high	94.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	151.7	-173.6	-56.9	0	0	0	0	112.6	F73 F75 W86 V90 V128 E129 L130	V51-F73 HydrophobicContact CG2-CB 4.38Å; V51-F73 HydrophobicContact CG2-CD1 4.18Å; V51-F73 PolarHBondContact N-O 3Å; V51-F73 PolarHBondContact O-N 3.21Å; V51-F75 HydrophobicContact CG2-CE1 4.16Å; V51-W86 HydrophobicContact CG2-CH2 4.02Å; V51-W86 HydrophobicContact CG2-CZ3 3.72Å; V51-V90 HydrophobicContact CG1-CG1 4.45Å; V51-V128 HydrophobicContact CB-CG1 4.02Å; V51-V128 HydrophobicContact CG1-CG1 4.07Å; V51-V128 HydrophobicContact CG2-CG1 4.43Å; V51-E129 CarbonylContact C-O 3.52Å; V51-E129 WeakPolarHBondContact CA-O 3.45Å; V51-E129 WeakPolarHBondContact CB-O 3.45Å; V51-L130 HydrophobicContact CG1-CD1 3.92Å
52	H	98.3	Very high	94.7	Very high	22 Å²	22	39.2 Å²	39.2	10%	0.102	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	151.7	151.4	-84.2	-62.6	0	0	0	110.7	S66 R67 E71 V128 E129 F131	H52-S66 VanDerWaalsContact CA-OG 3.28Å; H52-S66 WeakPolarHBondContact CA-OG 3.19Å; H52-S66 PolarHBondContact ND1-OG 3.11Å; H52-R67 HydrophobicContact CB-CG 4.08Å; H52-E71 VanDerWaalsContact CE1-C 3.42Å; H52-E71 PolarHBondContact CE1-O 2.99Å; H52-E71 VanDerWaalsContact CE1-O 3.29Å; H52-V128 WeakPolarHBondContact O-CA 3.41Å; H52-E129 HydrophobicContact CB-CB 4.49Å; H52-E129 PolarHBondContact N-O 2.96Å; H52-E129 PolarHBondContact O-N 3.32Å; H52-F131 HydrophobicContact CB-CE2 3.87Å; H52-F131 AromaticContact CD2-CE2 3.47Å; H52-F131 VanDerWaalsContact CD2-CE2 3.47Å; H52-F131 WeakPolarHBondContact CD2-CE2 3.32Å; H52-F131 AromaticContact CD2-CZ 3.77Å
53	Y	97.8	Very high	94.7	Very high	16 Å²	16	36.2 Å²	36.2	6%	0.063	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	160.5	174.6	72.3	-82.8	0	0	0	113.9	D64 S65 S66 R69 F73 W86 F126 E127	Y53-D64 HydrophobicContact CE2-CB 4.28Å; Y53-D64 WeakPolarHBondContact CE2-OD2 3.37Å; Y53-D64 PolarHBondContact OH-OD2 2.91Å; Y53-S65 WeakPolarHBondContact O-CA 3.32Å; Y53-S65 PolarHBondContact O-OG 2.92Å; Y53-S66 WeakPolarHBondContact CD1-OG 3.37Å; Y53-S66 PolarHBondContact N-OG 2.78Å; Y53-S66 PolarHBondContact O-N 2.93Å; Y53-S66 VanDerWaalsContact O-N 3.11Å; Y53-R69 PolarHBondContact OH-NH2 2.88Å; Y53-F73 HydrophobicContact CD1-CB 4.28Å; Y53-F73 HydrophobicContact CE1-CB 3.9Å; Y53-F73 HydrophobicContact CE1-CD1 4.11Å; Y53-F73 HydrophobicContact CE1-CG 4.11Å; Y53-W86 AromaticContact CD1-CH2 3.46Å; Y53-W86 HydrophobicContact CD1-CH2 3.46Å; Y53-W86 VanDerWaalsContact CD1-CH2 3.46Å; Y53-W86 HydrophobicContact CD1-CZ2 4.11Å; Y53-W86 HydrophobicContact CD1-CZ3 4.48Å; Y53-W86 HydrophobicContact CD2-CH2 4.1Å; Y53-W86 AromaticContact CD2-CZ2 3.9Å; Y53-W86 HydrophobicContact CD2-CZ2 3.9Å; Y53-W86 HydrophobicContact CE1-CH2 4.02Å; Y53-W86 AromaticContact CG-CH2 3.47Å; Y53-W86 HydrophobicContact CG-CH2 3.47Å; Y53-W86 VanDerWaalsContact CG-CH2 3.47Å; Y53-W86 AromaticContact CG-CZ2 3.65Å; Y53-W86 HydrophobicContact CG-CZ2 3.65Å; Y53-F126 AromaticContact CD2-CD1 3.99Å; Y53-F126 HydrophobicContact CD2-CD1 3.99Å; Y53-F126 HydrophobicContact CD2-CE1 4.05Å; Y53-F126 HydrophobicContact CE2-CE1 4.3Å; Y53-E127 CarbonylContact C-O 3.56Å; Y53-E127 WeakPolarHBondContact CA-O 3.37Å; Y53-E127 WeakPolarHBondContact CB-O 3.36Å
54	V	97.7	Very high	94.6	Very high	37 Å²	37	38 Å²	38	22%	0.224	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	122.5	168.1	-179.5	0	0	0	0	107.1	T56 F126 E127	V54-T56 HydrophobicContact CG1-CG2 4.29Å; V54-F126 CarbonylContact O-C 3.49Å; V54-F126 WeakPolarHBondContact O-CA 3.2Å; V54-E127 HydrophobicContact CB-CB 4.47Å; V54-E127 PolarHBondContact N-O 2.97Å; V54-E127 PolarHBondContact O-N 2.89Å
55	G	97.3	Very high	94.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	127.8	177.3	0	0	0	0	0	111.8	H62 F63 D64	G55-H62 PolarHBondContact O-ND1 2.74Å; G55-F63 PolarHBondContact O-N 3.01Å; G55-D64 PolarHBondContact N-O 2.84Å
56	T	97.1	Very high	95	Very high	18 Å²	18	32.5 Å²	32.5	11%	0.11	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	154.5	177	67.9	0	0	0	0	111.8	V54 T61 F63 V125	V54-T56 HydrophobicContact CG1-CG2 4.29Å; T56-T61 CarbonylContact C-O 3.51Å; T56-T61 WeakPolarHBondContact CA-O 3.34Å; T56-F63 VanDerWaalsContact N-CE1 3.3Å; T56-F63 WeakPolarHBondContact O-CE1 3.35Å; T56-V125 PolarHBondContact N-O 2.9Å; T56-V125 PolarHBondContact O-N 2.85Å
57	L	95.4	Very high	95.3	Very high	23 Å²	23	36.3 Å²	36.3	12%	0.12	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	169.5	164.1	-59.8	-179.3	0	0	0	110.1	D59 G60 T61 F63 P119 A122 L124	L57-D59 WeakPolarHBondContact CB-OD1 3.44Å; L57-D59 PolarHBondContact O-N 2.88Å; L57-G60 PolarHBondContact O-N 2.51Å; L57-T61 PolarHBondContact N-O 3.18Å; L57-F63 HydrophobicContact CD2-CD1 4.13Å; L57-F63 HydrophobicContact CD2-CE1 4.38Å; L57-F63 HydrophobicContact CG-CD1 4.25Å; L57-P119 HydrophobicContact CD1-CG 4.49Å; L57-A122 HydrophobicContact CD2-CB 4.25Å; L57-L124 HydrophobicContact CD2-CD2 3.73Å
58	L	92	Very high	95.1	Very high	42 Å²	42	42.3 Å²	42.3	22%	0.22	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.5	178.3	-81	176.9	0	0	0	114	M16 G60 T123 V125	M16-L58 HydrophobicContact CE-CD1 3.83Å; M16-L58 HydrophobicContact CE-CD2 4.32Å; L58-G60 PolarHBondContact O-N 2.86Å; L58-T123 HydrophobicContact CD1-CG2 3.9Å; L58-T123 HydrophobicContact CD2-CG2 4.09Å; L58-T123 HydrophobicContact CG-CG2 3.97Å; L58-V125 HydrophobicContact CD2-CG2 3.88Å
59	D	90.1	Very high	95	Very high	107 Å²	107	43.2 Å²	43.2	57%	0.572	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	1.1	175.2	65.5	8.1	0	0	0	113.1	L57 T61	L57-D59 WeakPolarHBondContact CB-OD1 3.44Å; L57-D59 PolarHBondContact O-N 2.88Å; D59-T61 VanDerWaalsContact CG-OG1 3.25Å; D59-T61 WeakPolarHBondContact OD1-CB 3.27Å; D59-T61 PolarHBondContact OD1-N 3.42Å; D59-T61 PolarHBondContact OD1-OG1 2.81Å; D59-T61 PolarHBondContact OD2-OG1 2.9Å
60	G	91.8	Very high	94.8	Very high	37 Å²	37	46.2 Å²	46.2	38%	0.381	25%	0.252	S	S	.	.			trans	87.6	-3	-178.2	0	0	0	0	0	114.6	L57 L58 H62	L57-G60 PolarHBondContact O-N 2.51Å; L58-G60 PolarHBondContact O-N 2.86Å; G60-H62 PolarHBondContact O-N 2.95Å; G60-H62 VanDerWaalsContact O-N 3.14Å
61	T	93.9	Very high	94.6	Very high	74 Å²	74	51.4 Å²	51.4	45%	0.454	28%	0.277	S	S	.	.			trans	-61.2	118.4	178.9	-57.9	0	0	0	0	110.5	T56 L57 D59	T56-T61 CarbonylContact C-O 3.51Å; T56-T61 WeakPolarHBondContact CA-O 3.34Å; L57-T61 PolarHBondContact N-O 3.18Å; D59-T61 VanDerWaalsContact CG-OG1 3.25Å; D59-T61 WeakPolarHBondContact OD1-CB 3.27Å; D59-T61 PolarHBondContact OD1-N 3.42Å; D59-T61 PolarHBondContact OD1-OG1 2.81Å; D59-T61 PolarHBondContact OD2-OG1 2.9Å
62	H	93.9	Very high	94.5	Very high	83 Å²	83	56.1 Å²	56.1	38%	0.384	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	127.7	177.6	-171.8	68.9	0	0	0	111.3	G55 G60 D64 S65 D68	G55-H62 PolarHBondContact O-ND1 2.74Å; G60-H62 PolarHBondContact O-N 2.95Å; G60-H62 VanDerWaalsContact O-N 3.14Å; H62-D64 PolarHBondContact CE1-O 3Å; H62-D64 PolarHBondContact NE2-O 3.28Å; H62-S65 PolarHBondContact NE2-N 2.81Å; H62-D68 IonicContact NE2-OD2 2.86Å
63	F	94.4	Very high	94.5	Very high	20 Å²	20	58.3 Å²	58.3	9%	0.088	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	-27.5	179.1	62.9	-105.6	0	0	0	114.1	G55 T56 L57 K117 I118 L124 F126	G55-F63 PolarHBondContact O-N 3.01Å; T56-F63 VanDerWaalsContact N-CE1 3.3Å; T56-F63 WeakPolarHBondContact O-CE1 3.35Å; L57-F63 HydrophobicContact CD2-CD1 4.13Å; L57-F63 HydrophobicContact CD2-CE1 4.38Å; L57-F63 HydrophobicContact CG-CD1 4.25Å; F63-K117 HydrophobicContact CB-CB 4.4Å; F63-K117 PolarHBondContact O-NZ 3.38Å; F63-K117 VanDerWaalsContact O-NZ 3.08Å; F63-I118 HydrophobicContact CD2-CD1 4.27Å; F63-I118 HydrophobicContact CD2-CG1 4.4Å; F63-I118 HydrophobicContact CE2-CD1 4.17Å; F63-I118 HydrophobicContact CG-CG1 4.48Å; F63-L124 HydrophobicContact CE1-CD2 3.89Å; F63-L124 HydrophobicContact CZ-CB 4.47Å; F63-L124 HydrophobicContact CZ-CD1 4.17Å; F63-L124 HydrophobicContact CZ-CD2 4.23Å; F63-F126 HydrophobicContact CE2-CE1 4Å; F63-F126 AromaticContact CE2-CZ 3.93Å; F63-F126 HydrophobicContact CE2-CZ 3.93Å; F63-F126 AromaticContact CZ-CE1 3.83Å; F63-F126 HydrophobicContact CZ-CE1 3.83Å; F63-F126 HydrophobicContact CZ-CE2 4.22Å; F63-F126 AromaticContact CZ-CZ 3.58Å; F63-F126 HydrophobicContact CZ-CZ 3.58Å
64	D	93.3	Very high	94.4	Very high	45 Å²	45	59.8 Å²	59.8	24%	0.241	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	140.2	-179.4	-168.5	26.9	0	0	0	113.1	Y53 G55 H62 R69	Y53-D64 HydrophobicContact CE2-CB 4.28Å; Y53-D64 WeakPolarHBondContact CE2-OD2 3.37Å; Y53-D64 PolarHBondContact OH-OD2 2.91Å; G55-D64 PolarHBondContact N-O 2.84Å; H62-D64 PolarHBondContact CE1-O 3Å; H62-D64 PolarHBondContact NE2-O 3.28Å; D64-R69 IonicContact OD1-CZ 3.56Å; D64-R69 IonicContact OD1-NH1 3.14Å; D64-R69 PolarHBondContact OD1-NH1 2.84Å
65	S	95.8	Very high	94.3	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	137.8	171.4	-174.6	0	0	0	0	111.5	Y53 H62 R67 D68 R69	Y53-S65 WeakPolarHBondContact O-CA 3.32Å; Y53-S65 PolarHBondContact O-OG 2.92Å; H62-S65 PolarHBondContact NE2-N 2.81Å; S65-R67 VanDerWaalsContact C-N 3.32Å; S65-R67 WeakPolarHBondContact OG-CB 3.4Å; S65-R67 PolarHBondContact OG-N 2.8Å; S65-D68 WeakPolarHBondContact CB-OD2 3.32Å; S65-R69 VanDerWaalsContact O-CZ 3.31Å; S65-R69 PolarHBondContact O-NH1 2.76Å
66	S	95.3	Very high	94.2	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.328	C	S	.	.	S	Bend	trans	-77.3	-18.9	166.4	65.6	0	0	0	0	113.5	H52 Y53 R69 G70	H52-S66 VanDerWaalsContact CA-OG 3.28Å; H52-S66 WeakPolarHBondContact CA-OG 3.19Å; H52-S66 PolarHBondContact ND1-OG 3.11Å; Y53-S66 WeakPolarHBondContact CD1-OG 3.37Å; Y53-S66 PolarHBondContact N-OG 2.78Å; Y53-S66 PolarHBondContact O-N 2.93Å; Y53-S66 VanDerWaalsContact O-N 3.11Å; S66-R69 PolarHBondContact O-N 3.4Å; S66-G70 PolarHBondContact O-N 2.86Å
67	R	93.9	Very high	94.1	Very high	93 Å²	93	61.4 Å²	61.4	35%	0.351	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-37.6	176.5	-60.1	-173.9	-175.4	-80.1	2.8	111.4	H52 S65 R69 G70 E129	H52-R67 HydrophobicContact CB-CG 4.08Å; S65-R67 VanDerWaalsContact C-N 3.32Å; S65-R67 WeakPolarHBondContact OG-CB 3.4Å; S65-R67 PolarHBondContact OG-N 2.8Å; R67-R69 PolarHBondContact O-N 2.88Å; R67-G70 PolarHBondContact O-N 2.87Å; R67-E129 IonicContact CZ-OE2 3.53Å; R67-E129 IonicContact NH1-OE2 3.37Å; R67-E129 PolarHBondContact NH1-OE2 3.49Å; R67-E129 VanDerWaalsContact NH1-OE2 3.14Å; R67-E129 IonicContact NH2-OE2 2.78Å; R67-E129 PolarHBondContact NH2-OE2 2.9Å
68	D	90.5	Very high	93.9	Very high	126 Å²	126	62 Å²	62	67%	0.674	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.2	175.2	-63.5	-12.4	0	0	0	112.5	H62 S65	H62-D68 IonicContact NE2-OD2 2.86Å; S65-D68 WeakPolarHBondContact CB-OD2 3.32Å
69	R	93.9	Very high	93.8	Very high	121 Å²	121	64.9 Å²	64.9	46%	0.457	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-13	176.1	-63.1	-173	-70.7	-91.7	10.1	113.4	Y53 D64 S65 S66 R67 E71	Y53-R69 PolarHBondContact OH-NH2 2.88Å; D64-R69 IonicContact OD1-CZ 3.56Å; D64-R69 IonicContact OD1-NH1 3.14Å; D64-R69 PolarHBondContact OD1-NH1 2.84Å; S65-R69 VanDerWaalsContact O-CZ 3.31Å; S65-R69 PolarHBondContact O-NH1 2.76Å; S66-R69 PolarHBondContact O-N 3.4Å; R67-R69 PolarHBondContact O-N 2.88Å; R69-E71 PolarHBondContact O-N 2.8Å
70	G	92.6	Very high	93.9	Very high	64 Å²	64	62.5 Å²	62.5	66%	0.66	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	3.4	-176.9	0	0	0	0	0	115.3	S66 R67	S66-G70 PolarHBondContact O-N 2.86Å; R67-G70 PolarHBondContact O-N 2.87Å
71	E	93.8	Very high	94	Very high	148 Å²	148	65.9 Å²	65.9	69%	0.692	35%	0.352	S	S	*	.	S	Bend	trans	-124.6	140.4	-176.5	-67.5	-175.3	172.9	0	0	111.3	H52 R69	H52-E71 VanDerWaalsContact CE1-C 3.42Å; H52-E71 PolarHBondContact CE1-O 2.99Å; H52-E71 VanDerWaalsContact CE1-O 3.29Å; R69-E71 PolarHBondContact O-N 2.8Å
72	K	96.4	Very high	94.2	Very high	99 Å²	99	63.6 Å²	63.6	43%	0.43	34%	0.338	S	S	.	.			trans	-66.7	140.7	175.8	-67.5	176.6	-174.5	173.4	0	109.6	F50 F131	F50-K72 HydrophobicContact CB-CD 4.45Å; K72-F131 HydrophobicContact CD-CB 4.14Å; K72-F131 HydrophobicContact CD-CD2 4.15Å; K72-F131 HydrophobicContact CD-CG 4.03Å; K72-F131 VanDerWaalsContact CE-CG 3.45Å; K72-F131 HydrophobicContact CG-CD2 4.48Å
73	F	97.3	Very high	94.4	Very high	69 Å²	69	60.7 Å²	60.7	30%	0.303	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	133.7	171.1	177.9	-119	0	0	0	109.3	V51 Y53 F75 V82 W86	V51-F73 HydrophobicContact CG2-CB 4.38Å; V51-F73 HydrophobicContact CG2-CD1 4.18Å; V51-F73 PolarHBondContact N-O 3Å; V51-F73 PolarHBondContact O-N 3.21Å; Y53-F73 HydrophobicContact CD1-CB 4.28Å; Y53-F73 HydrophobicContact CE1-CB 3.9Å; Y53-F73 HydrophobicContact CE1-CD1 4.11Å; Y53-F73 HydrophobicContact CE1-CG 4.11Å; F73-F75 AromaticContact CD1-CD1 3.85Å; F73-F75 HydrophobicContact CD1-CD1 3.85Å; F73-F75 HydrophobicContact CD1-CE1 4.42Å; F73-F75 HydrophobicContact CE1-CB 4.13Å; F73-F75 AromaticContact CE1-CD1 3.5Å; F73-F75 HydrophobicContact CE1-CD1 3.5Å; F73-F75 VanDerWaalsContact CE1-CD1 3.5Å; F73-F75 HydrophobicContact CE1-CE1 4.25Å; F73-F75 HydrophobicContact CE1-CG 4.09Å; F73-F75 HydrophobicContact CZ-CB 4.12Å; F73-F75 HydrophobicContact CZ-CD1 4.33Å; F73-V82 HydrophobicContact CE1-CG1 3.9Å; F73-V82 HydrophobicContact CZ-CG1 4.26Å; F73-W86 HydrophobicContact CD1-CH2 4.34Å; F73-W86 AromaticContact CD1-CZ3 3.86Å; F73-W86 HydrophobicContact CD1-CZ3 3.86Å; F73-W86 HydrophobicContact CE1-CZ3 4Å
74	S	96.6	Very high	94.5	Very high	47 Å²	47	66.1 Å²	66.1	33%	0.329	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	139.6	176.5	71.2	0	0	0	0	111.9	V49	V49-S74 WeakPolarHBondContact O-CA 3.37Å; V49-S74 WeakPolarHBondContact O-CB 3.45Å
75	F	95.8	Very high	94.7	Very high	3 Å²	3	64 Å²	64	1%	0.013	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	165.2	177.6	66.9	-83.7	0	0	0	110.7	V49 V51 F73 L77 Q81 V82 W86 V90	V49-F75 HydrophobicContact CG2-CD1 3.6Å; V49-F75 HydrophobicContact CG2-CD2 3.98Å; V49-F75 HydrophobicContact CG2-CE1 3.29Å; V49-F75 HydrophobicContact CG2-CE2 3.7Å; V49-F75 HydrophobicContact CG2-CG 3.94Å; V49-F75 HydrophobicContact CG2-CZ 3.35Å; V49-F75 WeakPolarHBondContact CG2-O 3.38Å; V49-F75 PolarHBondContact N-O 2.88Å; V49-F75 PolarHBondContact O-N 3.29Å; V51-F75 HydrophobicContact CG2-CE1 4.16Å; F73-F75 AromaticContact CD1-CD1 3.85Å; F73-F75 HydrophobicContact CD1-CD1 3.85Å; F73-F75 HydrophobicContact CD1-CE1 4.42Å; F73-F75 HydrophobicContact CE1-CB 4.13Å; F73-F75 AromaticContact CE1-CD1 3.5Å; F73-F75 HydrophobicContact CE1-CD1 3.5Å; F73-F75 VanDerWaalsContact CE1-CD1 3.5Å; F73-F75 HydrophobicContact CE1-CE1 4.25Å; F73-F75 HydrophobicContact CE1-CG 4.09Å; F73-F75 HydrophobicContact CZ-CB 4.12Å; F73-F75 HydrophobicContact CZ-CD1 4.33Å; F75-L77 HydrophobicContact CE2-CD1 3.92Å; F75-L77 HydrophobicContact CZ-CD1 4.38Å; F75-Q81 HydrophobicContact CB-CB 4.38Å; F75-V82 HydrophobicContact CB-CG1 4.14Å; F75-V82 HydrophobicContact CD1-CG1 3.99Å; F75-V82 HydrophobicContact CD2-CB 4.38Å; F75-V82 HydrophobicContact CD2-CG1 3.64Å; F75-V82 HydrophobicContact CD2-CG2 3.79Å; F75-V82 HydrophobicContact CE1-CG1 4.28Å; F75-V82 HydrophobicContact CE2-CB 4.37Å; F75-V82 HydrophobicContact CE2-CG1 3.96Å; F75-V82 HydrophobicContact CE2-CG2 3.48Å; F75-V82 VanDerWaalsContact CE2-CG2 3.48Å; F75-V82 HydrophobicContact CG-CG1 3.66Å; F75-V82 HydrophobicContact CZ-CG1 4.26Å; F75-V82 HydrophobicContact CZ-CG2 4.1Å; F75-W86 HydrophobicContact CD1-CE3 4.46Å; F75-W86 HydrophobicContact CD1-CZ3 4.34Å; F75-W86 AromaticContact CE1-CE3 3.61Å; F75-W86 HydrophobicContact CE1-CE3 3.61Å; F75-W86 AromaticContact CE1-CZ3 3.66Å; F75-W86 HydrophobicContact CE1-CZ3 3.66Å; F75-W86 AromaticContact CZ-CE3 3.77Å; F75-W86 HydrophobicContact CZ-CE3 3.77Å; F75-W86 HydrophobicContact CZ-CZ3 4.28Å; F75-V90 HydrophobicContact CZ-CB 4.32Å; F75-V90 HydrophobicContact CZ-CG1 4.36Å; F75-V90 HydrophobicContact CZ-CG2 4.08Å
76	E	94.7	Very high	94.9	Very high	83 Å²	83	64.2 Å²	64.2	39%	0.388	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	120.3	172.5	-66.1	175.8	-171.8	0	0	110.5	K79	E76-K79 HydrophobicContact CB-CB 4.16Å; E76-K79 HydrophobicContact CB-CG 3.81Å
77	L	95.3	Very high	94.9	Very high	3 Å²	3	65.7 Å²	65.7	2%	0.016	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	135.2	-175.4	-173.5	66.1	0	0	0	111.8	P43 G46 D47 V49 F75 K79 V90 A91	P43-L77 HydrophobicContact CB-CD2 3.43Å; P43-L77 VanDerWaalsContact CB-CD2 3.43Å; G46-L77 PolarHBondContact N-O 2.66Å; D47-L77 PolarHBondContact O-N 2.69Å; V49-L77 HydrophobicContact CG1-CB 4.15Å; V49-L77 HydrophobicContact CG1-CD2 4.39Å; F75-L77 HydrophobicContact CE2-CD1 3.92Å; F75-L77 HydrophobicContact CZ-CD1 4.38Å; L77-K79 VanDerWaalsContact C-N 3.26Å; L77-K79 PolarHBondContact O-N 2.9Å; L77-V90 HydrophobicContact CD1-CB 4.05Å; L77-V90 HydrophobicContact CD1-CG1 4.35Å; L77-A91 HydrophobicContact CD2-CB 3.96Å
78	G	90.8	Very high	95.1	Very high	35 Å²	35	63 Å²	63	36%	0.361	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	13.1	175.5	0	0	0	0	0	114.4	D87	G78-D87 WeakPolarHBondContact CA-OD1 3.36Å; G78-D87 PolarHBondContact N-OD1 3.13Å
79	K	90.2	Very high	95.4	Very high	103 Å²	103	57 Å²	57	45%	0.448	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	3.1	176.4	-63.8	-73.6	-170.3	169.5	0	113.1	E76 L77 Q81	E76-K79 HydrophobicContact CB-CB 4.16Å; E76-K79 HydrophobicContact CB-CG 3.81Å; L77-K79 VanDerWaalsContact C-N 3.26Å; L77-K79 PolarHBondContact O-N 2.9Å; K79-Q81 VanDerWaalsContact C-N 3.28Å; K79-Q81 HydrophobicContact CB-CG 4.37Å; K79-Q81 PolarHBondContact O-N 3.1Å
80	G	92.3	Very high	95.6	Very high	57 Å²	57	51.3 Å²	51.3	59%	0.588	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	21.6	-179.1	0	0	0	0	0	114.1	V82 D87	G80-V82 PolarHBondContact O-N 3.39Å; G80-D87 PolarHBondContact N-OD2 3.41Å
81	Q	94.5	Very high	95.8	Very high	107 Å²	107	50 Å²	50	50%	0.5	27%	0.267	S	S	.	.	S	Bend	trans	-72.6	-17.8	171.7	-66.5	-173.3	-4.7	0	0	112.3	F75 K79	F75-Q81 HydrophobicContact CB-CB 4.38Å; K79-Q81 VanDerWaalsContact C-N 3.28Å; K79-Q81 HydrophobicContact CB-CG 4.37Å; K79-Q81 PolarHBondContact O-N 3.1Å
82	V	96.9	Very high	96	Very high	27 Å²	27	45 Å²	45	16%	0.164	25%	0.247	C	C	.	.	S	Bend	trans	-128	173	179.8	-65.2	0	0	0	0	110.2	F73 F75 G80 W86 D87	F73-V82 HydrophobicContact CE1-CG1 3.9Å; F73-V82 HydrophobicContact CZ-CG1 4.26Å; F75-V82 HydrophobicContact CB-CG1 4.14Å; F75-V82 HydrophobicContact CD1-CG1 3.99Å; F75-V82 HydrophobicContact CD2-CB 4.38Å; F75-V82 HydrophobicContact CD2-CG1 3.64Å; F75-V82 HydrophobicContact CD2-CG2 3.79Å; F75-V82 HydrophobicContact CE1-CG1 4.28Å; F75-V82 HydrophobicContact CE2-CB 4.37Å; F75-V82 HydrophobicContact CE2-CG1 3.96Å; F75-V82 HydrophobicContact CE2-CG2 3.48Å; F75-V82 VanDerWaalsContact CE2-CG2 3.48Å; F75-V82 HydrophobicContact CG-CG1 3.66Å; F75-V82 HydrophobicContact CZ-CG1 4.26Å; F75-V82 HydrophobicContact CZ-CG2 4.1Å; G80-V82 PolarHBondContact O-N 3.39Å; V82-W86 HydrophobicContact CB-CB 3.94Å; V82-W86 HydrophobicContact CB-CE3 4.35Å; V82-W86 HydrophobicContact CG1-CE3 4.09Å; V82-W86 HydrophobicContact CG2-CB 3.57Å; V82-D87 WeakPolarHBondContact CG2-OD1 3.08Å
83	I	97.6	Very high	96.1	Very high	21 Å²	21	40.2 Å²	40.2	11%	0.108	23%	0.226	C	C	.	.			trans	-61.3	150.9	174.9	60.7	172.1	0	0	0	111.3	A85 W86 D87 A108 Y109 F126	I83-A85 HydrophobicContact CD1-CB 4.16Å; I83-A85 HydrophobicContact CG1-CB 4.38Å; I83-A85 PolarHBondContact O-N 3.44Å; I83-A85 VanDerWaalsContact O-N 3.08Å; I83-W86 HydrophobicContact CG1-CB 4.08Å; I83-W86 HydrophobicContact CG1-CG 3.96Å; I83-W86 WeakPolarHBondContact O-CB 3.49Å; I83-W86 PolarHBondContact O-N 3.14Å; I83-D87 PolarHBondContact O-N 3.19Å; I83-A108 HydrophobicContact CD1-CB 4.17Å; I83-Y109 HydrophobicContact CG2-CD2 4.31Å; I83-Y109 HydrophobicContact CG2-CE1 4.22Å; I83-Y109 HydrophobicContact CG2-CE2 3.82Å; I83-F126 HydrophobicContact CD1-CD2 4.5Å; I83-F126 HydrophobicContact CD1-CE2 3.7Å; I83-F126 HydrophobicContact CD1-CZ 4.28Å
84	K	97.6	Very high	96	Very high	134 Å²	134	41 Å²	41	58%	0.583	23%	0.227	S	C	*	.	H	α-helix	trans	-53.5	-36.8	-178	-60.9	176	-174.9	167.6	0	112.7	W86 D87 I88 Y107	K84-W86 VanDerWaalsContact C-N 3.27Å; K84-W86 PolarHBondContact O-N 3.44Å; K84-D87 PolarHBondContact O-N 2.92Å; K84-I88 WeakPolarHBondContact O-CG1 3.3Å; K84-I88 PolarHBondContact O-N 2.79Å; K84-I88 VanDerWaalsContact O-N 3.1Å; K84-Y107 HydrophobicContact CB-CD1 4.15Å; K84-Y107 PolarHBondContact N-O 3.31Å
85	A	98	Very high	96.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.9	-34.1	178.3	0	0	0	0	0	113.2	V29 I83 G89 C103 Y107	V29-A85 HydrophobicContact CG1-CB 4.2Å; V29-A85 HydrophobicContact CG2-CB 3.7Å; I83-A85 HydrophobicContact CD1-CB 4.16Å; I83-A85 HydrophobicContact CG1-CB 4.38Å; I83-A85 PolarHBondContact O-N 3.44Å; I83-A85 VanDerWaalsContact O-N 3.08Å; A85-G89 WeakPolarHBondContact O-CA 3.37Å; A85-G89 PolarHBondContact O-N 2.91Å; A85-C103 HydrophobicContact CB-CB 3.67Å; A85-C103 WeakPolarHBondContact CB-SG 3.5Å; A85-Y107 WeakPolarHBondContact CB-O 3.42Å; A85-Y107 PolarHBondContact N-O 3.29Å
86	W	98.2	Very high	96.2	Very high	9 Å²	9	42.2 Å²	42.2	3%	0.034	24%	0.238	C	C	.	.	H	α-helix	trans	-74.2	-41.9	176.9	-88.5	46.2	0	0	0	112	V51 Y53 F73 F75 V82 I83 K84 I88 G89 V90 F126 V128	V51-W86 HydrophobicContact CG2-CH2 4.02Å; V51-W86 HydrophobicContact CG2-CZ3 3.72Å; Y53-W86 AromaticContact CD1-CH2 3.46Å; Y53-W86 HydrophobicContact CD1-CH2 3.46Å; Y53-W86 VanDerWaalsContact CD1-CH2 3.46Å; Y53-W86 HydrophobicContact CD1-CZ2 4.11Å; Y53-W86 HydrophobicContact CD1-CZ3 4.48Å; Y53-W86 HydrophobicContact CD2-CH2 4.1Å; Y53-W86 AromaticContact CD2-CZ2 3.9Å; Y53-W86 HydrophobicContact CD2-CZ2 3.9Å; Y53-W86 HydrophobicContact CE1-CH2 4.02Å; Y53-W86 AromaticContact CG-CH2 3.47Å; Y53-W86 HydrophobicContact CG-CH2 3.47Å; Y53-W86 VanDerWaalsContact CG-CH2 3.47Å; Y53-W86 AromaticContact CG-CZ2 3.65Å; Y53-W86 HydrophobicContact CG-CZ2 3.65Å; F73-W86 HydrophobicContact CD1-CH2 4.34Å; F73-W86 AromaticContact CD1-CZ3 3.86Å; F73-W86 HydrophobicContact CD1-CZ3 3.86Å; F73-W86 HydrophobicContact CE1-CZ3 4Å; F75-W86 HydrophobicContact CD1-CE3 4.46Å; F75-W86 HydrophobicContact CD1-CZ3 4.34Å; F75-W86 AromaticContact CE1-CE3 3.61Å; F75-W86 HydrophobicContact CE1-CE3 3.61Å; F75-W86 AromaticContact CE1-CZ3 3.66Å; F75-W86 HydrophobicContact CE1-CZ3 3.66Å; F75-W86 AromaticContact CZ-CE3 3.77Å; F75-W86 HydrophobicContact CZ-CE3 3.77Å; F75-W86 HydrophobicContact CZ-CZ3 4.28Å; V82-W86 HydrophobicContact CB-CB 3.94Å; V82-W86 HydrophobicContact CB-CE3 4.35Å; V82-W86 HydrophobicContact CG1-CE3 4.09Å; V82-W86 HydrophobicContact CG2-CB 3.57Å; I83-W86 HydrophobicContact CG1-CB 4.08Å; I83-W86 HydrophobicContact CG1-CG 3.96Å; I83-W86 WeakPolarHBondContact O-CB 3.49Å; I83-W86 PolarHBondContact O-N 3.14Å; K84-W86 VanDerWaalsContact C-N 3.27Å; K84-W86 PolarHBondContact O-N 3.44Å; W86-I88 PolarHBondContact O-N 3.08Å; W86-G89 PolarHBondContact O-N 3.37Å; W86-V90 HydrophobicContact CE3-CG2 4.49Å; W86-V90 WeakPolarHBondContact O-CB 3.14Å; W86-V90 WeakPolarHBondContact O-CG2 3.3Å; W86-V90 PolarHBondContact O-N 3.05Å; W86-F126 AromaticContact CE2-CD1 3.95Å; W86-F126 AromaticContact CZ2-CD1 3.71Å; W86-F126 HydrophobicContact CZ2-CD1 3.71Å; W86-F126 AromaticContact CZ2-CE1 3.98Å; W86-F126 HydrophobicContact CZ2-CE1 3.98Å; W86-F126 HydrophobicContact CZ2-CG 4.28Å; W86-F126 AromaticContact NE1-CD1 3.58Å; W86-F126 AromaticContact NE1-CD2 3.45Å; W86-F126 AromaticContact NE1-CE1 3.8Å; W86-F126 AromaticContact NE1-CE2 3.68Å; W86-F126 AromaticContact NE1-CG 3.38Å; W86-F126 AromaticContact NE1-CZ 3.83Å; W86-V128 HydrophobicContact CZ2-CG2 3.97Å
87	D	96.9	Very high	96.4	Very high	31 Å²	31	38.5 Å²	38.5	17%	0.166	22%	0.22	C	C	.	.	H	α-helix	trans	-58.5	-37	174.7	-84.3	-24	0	0	0	111.6	G78 G80 V82 I83 K84 A91	G78-D87 WeakPolarHBondContact CA-OD1 3.36Å; G78-D87 PolarHBondContact N-OD1 3.13Å; G80-D87 PolarHBondContact N-OD2 3.41Å; V82-D87 WeakPolarHBondContact CG2-OD1 3.08Å; I83-D87 PolarHBondContact O-N 3.19Å; K84-D87 PolarHBondContact O-N 2.92Å; D87-A91 WeakPolarHBondContact O-CB 3.44Å
88	I	97.1	Very high	96.5	Very high	37 Å²	37	39.6 Å²	39.6	19%	0.19	23%	0.226	C	C	.	.	H	α-helix	trans	-75.3	-48.1	174.5	-63	166.1	0	0	0	111	I21 V29 K84 W86 Y107	I21-I88 HydrophobicContact CB-CG2 4.44Å; I21-I88 HydrophobicContact CD1-CG2 3.96Å; I21-I88 HydrophobicContact CG1-CG2 3.99Å; I21-I88 WeakPolarHBondContact O-CG2 3.23Å; V29-I88 HydrophobicContact CG2-CD1 4.37Å; K84-I88 WeakPolarHBondContact O-CG1 3.3Å; K84-I88 PolarHBondContact O-N 2.79Å; K84-I88 VanDerWaalsContact O-N 3.1Å; W86-I88 PolarHBondContact O-N 3.08Å; I88-Y107 HydrophobicContact CD1-CD1 3.75Å; I88-Y107 HydrophobicContact CD1-CE1 3.76Å
89	G	97.6	Very high	96.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65	-53.6	-173.2	0	0	0	0	0	113.5	A85 W86 A91 T92	A85-G89 WeakPolarHBondContact O-CA 3.37Å; A85-G89 PolarHBondContact O-N 2.91Å; W86-G89 PolarHBondContact O-N 3.37Å; G89-A91 VanDerWaalsContact C-N 3.26Å; G89-A91 PolarHBondContact O-N 2.67Å; G89-T92 PolarHBondContact O-N 2.86Å; G89-T92 PolarHBondContact O-OG1 2.98Å
90	V	98.1	Very high	97.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.8	-29.4	-175.2	179.3	0	0	0	0	111.7	V49 V51 F75 L77 W86 T92 M93 V128 L130	V49-V90 HydrophobicContact CB-CG1 4.34Å; V49-V90 HydrophobicContact CG1-CG1 4.23Å; V49-V90 HydrophobicContact CG2-CG1 4.22Å; V51-V90 HydrophobicContact CG1-CG1 4.45Å; F75-V90 HydrophobicContact CZ-CB 4.32Å; F75-V90 HydrophobicContact CZ-CG1 4.36Å; F75-V90 HydrophobicContact CZ-CG2 4.08Å; L77-V90 HydrophobicContact CD1-CB 4.05Å; L77-V90 HydrophobicContact CD1-CG1 4.35Å; W86-V90 HydrophobicContact CE3-CG2 4.49Å; W86-V90 WeakPolarHBondContact O-CB 3.14Å; W86-V90 WeakPolarHBondContact O-CG2 3.3Å; W86-V90 PolarHBondContact O-N 3.05Å; V90-T92 PolarHBondContact O-N 2.74Å; V90-T92 VanDerWaalsContact O-N 3.14Å; V90-M93 HydrophobicContact CG2-SD 4.27Å; V90-M93 WeakPolarHBondContact O-CB 3.4Å; V90-M93 PolarHBondContact O-N 2.67Å; V90-M93 VanDerWaalsContact O-N 3.09Å; V90-V128 HydrophobicContact CG2-CG1 4.29Å; V90-L130 HydrophobicContact CG1-CD1 4.4Å
91	A	96.7	Very high	97.5	Very high	36 Å²	36	31.5 Å²	31.5	30%	0.298	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.8	173	0	0	0	0	0	113.9	L77 D87 G89	L77-A91 HydrophobicContact CD2-CB 3.96Å; D87-A91 WeakPolarHBondContact O-CB 3.44Å; G89-A91 VanDerWaalsContact C-N 3.26Å; G89-A91 PolarHBondContact O-N 2.67Å
92	T	97	Very high	97.7	Very high	43 Å²	43	26.7 Å²	26.7	26%	0.264	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-0.5	178.3	70.6	0	0	0	0	113.4	I21 K31 F42 G89 V90	I21-T92 HydrophobicContact CD1-CG2 4.33Å; K31-T92 VanDerWaalsContact CD-OG1 3.3Å; K31-T92 WeakPolarHBondContact CD-OG1 3.34Å; K31-T92 WeakPolarHBondContact CE-OG1 3.36Å; K31-T92 PolarHBondContact NZ-O 3.31Å; K31-T92 PolarHBondContact NZ-OG1 3.06Å; F42-T92 WeakPolarHBondContact CE1-O 3.38Å; G89-T92 PolarHBondContact O-N 2.86Å; G89-T92 PolarHBondContact O-OG1 2.98Å; V90-T92 PolarHBondContact O-N 2.74Å; V90-T92 VanDerWaalsContact O-N 3.14Å
93	M	98.1	Very high	97.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-92.3	147.4	-173.2	-64.5	-177.4	71.3	0	0	112.1	P43 V90 E97 C99 V128 L130	P43-M93 WeakPolarHBondContact CD-O 3.36Å; V90-M93 HydrophobicContact CG2-SD 4.27Å; V90-M93 WeakPolarHBondContact O-CB 3.4Å; V90-M93 PolarHBondContact O-N 2.67Å; V90-M93 VanDerWaalsContact O-N 3.09Å; M93-E97 WeakPolarHBondContact CA-OE2 3.1Å; M93-E97 HydrophobicContact CB-CB 4.49Å; M93-E97 HydrophobicContact CE-CB 4.09Å; M93-E97 HydrophobicContact CE-CG 4.3Å; M93-E97 WeakPolarHBondContact CE-O 3.4Å; M93-C99 HydrophobicContact CE-CB 4.48Å; M93-C99 VanDerWaalsContact SD-SG 3.65Å; M93-V128 HydrophobicContact CE-CB 4.46Å; M93-V128 HydrophobicContact CE-CG1 4.35Å; M93-V128 VanDerWaalsContact CE-O 3.3Å; M93-V128 WeakPolarHBondContact CE-O 3.43Å; M93-V128 HydrophobicContact SD-CB 4.31Å; M93-V128 HydrophobicContact SD-CG1 4.02Å; M93-L130 HydrophobicContact CB-CB 4.14Å; M93-L130 HydrophobicContact CB-CD2 3.68Å; M93-L130 HydrophobicContact CE-CB 3.76Å; M93-L130 HydrophobicContact SD-CB 4.27Å
94	R	97.1	Very high	97.7	Very high	86 Å²	86	28 Å²	28	33%	0.325	15%	0.146	S	C	.	.	P	Polyproline II helix	trans	-96.4	159.2	167.2	-69.8	176.6	-178.6	158.4	0.6	111.9	G39 F42 G96 E97	G39-R94 WeakPolarHBondContact O-CD 3.41Å; G39-R94 PolarHBondContact O-NE 3.38Å; F42-R94 HydrophobicContact CD1-CG 4.23Å; F42-R94 HydrophobicContact CE1-CG 3.79Å; F42-R94 HydrophobicContact CZ-CG 4.29Å; R94-G96 PolarHBondContact O-N 3.09Å; R94-E97 PolarHBondContact N-OE2 2.81Å; R94-E97 WeakPolarHBondContact O-CB 3.48Å; R94-E97 PolarHBondContact O-N 3.14Å
95	V	97.6	Very high	97.7	Very high	49 Å²	49	22.2 Å²	22.2	30%	0.297	12%	0.121	S	C	.	.	B	Isolated β-bridge	trans	-59.4	127.4	174.8	171.1	0	0	0	0	110.3	G37 T38 E97 F131 F133	G37-V95 CarbonylContact C-O 3.46Å; G37-V95 VanDerWaalsContact CA-O 3.27Å; G37-V95 WeakPolarHBondContact CA-O 3.4Å; T38-V95 PolarHBondContact N-O 2.98Å; T38-V95 PolarHBondContact OG1-O 3.45Å; V95-E97 VanDerWaalsContact C-N 3.35Å; V95-F131 WeakPolarHBondContact CG1-O 3.34Å; V95-F133 HydrophobicContact CG2-CD1 3.81Å; V95-F133 HydrophobicContact CG2-CE1 3.67Å
96	G	97.4	Very high	97.7	Very high	26 Å²	26	28 Å²	28	27%	0.268	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	-9.6	-176.1	0	0	0	0	0	114.8	R35 R94 L130	R35-G96 PolarHBondContact NE-O 2.9Å; R35-G96 PolarHBondContact NH2-O 3.25Å; R94-G96 PolarHBondContact O-N 3.09Å; G96-L130 WeakPolarHBondContact CA-O 3.2Å; G96-L130 PolarHBondContact N-O 3.48Å
97	E	98.5	Very high	97.7	Very high	5 Å²	5	28.9 Å²	28.9	2%	0.023	15%	0.152	C	C	.	.			trans	-66.3	137	-179.1	-169.1	-175.9	125.6	0	0	111.1	K31 V33 R35 M93 R94 V95 E129 L130	K31-E97 WeakPolarHBondContact CE-OE1 3.39Å; K31-E97 IonicContact NZ-OE1 2.78Å; K31-E97 PolarHBondContact NZ-OE1 3.32Å; K31-E97 IonicContact NZ-OE2 2.62Å; V33-E97 HydrophobicContact CG1-CG 4.14Å; R35-E97 WeakPolarHBondContact O-CA 3.32Å; R35-E97 WeakPolarHBondContact O-CG 3.27Å; M93-E97 WeakPolarHBondContact CA-OE2 3.1Å; M93-E97 HydrophobicContact CB-CB 4.49Å; M93-E97 HydrophobicContact CE-CB 4.09Å; M93-E97 HydrophobicContact CE-CG 4.3Å; M93-E97 WeakPolarHBondContact CE-O 3.4Å; R94-E97 PolarHBondContact N-OE2 2.81Å; R94-E97 WeakPolarHBondContact O-CB 3.48Å; R94-E97 PolarHBondContact O-N 3.14Å; V95-E97 VanDerWaalsContact C-N 3.35Å; E97-E129 VanDerWaalsContact O-CA 3.32Å; E97-E129 WeakPolarHBondContact O-CA 3.46Å; E97-L130 PolarHBondContact O-N 3.02Å
98	L	98.4	Very high	97.7	Very high	25 Å²	25	28.3 Å²	28.3	13%	0.131	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	118.7	168.6	-178	69.6	0	0	0	107.7	K34 R35 E127 V128 E129	K34-L98 WeakPolarHBondContact CA-O 3.28Å; K34-L98 HydrophobicContact CB-CD2 4.23Å; K34-L98 HydrophobicContact CB-CG 4.22Å; K34-L98 WeakPolarHBondContact CB-O 3.38Å; K34-L98 PolarHBondContact N-O 2.83Å; R35-L98 HydrophobicContact CB-CB 3.87Å; R35-L98 PolarHBondContact N-O 3.08Å; R35-L98 PolarHBondContact O-N 2.68Å; L98-E127 HydrophobicContact CD1-CG 3.6Å; L98-E127 HydrophobicContact CG-CG 4.17Å; L98-V128 WeakPolarHBondContact CA-O 3.34Å; L98-E129 HydrophobicContact CD1-CB 3.74Å; L98-E129 HydrophobicContact CD1-CG 4.27Å
99	C	98	Very high	97.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	158.8	176.4	76.2	0	0	0	0	112	K31 L32 M93 E127 V128	K31-C99 HydrophobicContact CG-CB 4.15Å; L32-C99 CarbonylContact O-C 3.57Å; L32-C99 VanDerWaalsContact O-CA 3.3Å; L32-C99 WeakPolarHBondContact O-CA 3.2Å; L32-C99 WeakPolarHBondContact O-CB 3.44Å; M93-C99 HydrophobicContact CE-CB 4.48Å; M93-C99 VanDerWaalsContact SD-SG 3.65Å; C99-E127 CarbonylContact O-C 3.59Å; C99-E127 WeakPolarHBondContact O-CA 3.48Å; C99-V128 PolarHBondContact N-O 3.26Å; C99-V128 PolarHBondContact O-N 2.96Å
100	Q	98	Very high	97.6	Very high	25 Å²	25	32.3 Å²	32.3	12%	0.117	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	132.5	165.2	-177	176	75.6	0	0	109.1	K31 L32 K34 V125 F126	K31-Q100 CarbonylContact C-O 3.47Å; K31-Q100 WeakPolarHBondContact CA-O 3.47Å; L32-Q100 HydrophobicContact CB-CB 4.44Å; L32-Q100 PolarHBondContact N-O 3.26Å; L32-Q100 PolarHBondContact O-N 2.87Å; K34-Q100 HydrophobicContact CD-CB 4.48Å; Q100-V125 HydrophobicContact CG-CG1 3.68Å; Q100-F126 CarbonylContact C-O 3.59Å; Q100-F126 WeakPolarHBondContact CA-O 2.94Å
101	L	98.2	Very high	97.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.9	173.8	-60.3	177.2	0	0	0	109.3	I21 L30 K31 V125 F126 V128	I21-L101 HydrophobicContact CD1-CD2 4.28Å; L30-L101 CarbonylContact O-C 3.55Å; L30-L101 WeakPolarHBondContact O-CA 3.25Å; K31-L101 HydrophobicContact CB-CD2 3.86Å; K31-L101 HydrophobicContact CD-CD2 4.41Å; K31-L101 HydrophobicContact CG-CD2 3.85Å; L101-V125 CarbonylContact O-C 3.59Å; L101-V125 WeakPolarHBondContact O-CA 3.04Å; L101-F126 HydrophobicContact CB-CB 4.41Å; L101-F126 PolarHBondContact N-O 3.47Å; L101-F126 PolarHBondContact O-N 3.2Å; L101-V128 HydrophobicContact CD1-CG2 4.19Å
102	I	98	Very high	97.5	Very high	6 Å²	6	38.4 Å²	38.4	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	116.5	171.1	-53.8	177.1	0	0	0	107.7	M16 V29 L30 T123 V125	M16-I102 HydrophobicContact SD-CG2 4.36Å; V29-I102 WeakPolarHBondContact CA-O 3.24Å; L30-I102 HydrophobicContact CB-CB 4.23Å; L30-I102 PolarHBondContact N-O 2.95Å; L30-I102 PolarHBondContact O-N 3.39Å; I102-T123 HydrophobicContact CG2-CG2 3.79Å; I102-V125 HydrophobicContact CG1-CG2 4.5Å
103	C	97.8	Very high	97.5	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	111.3	-166.6	-50.8	0	0	0	0	110.1	A85 T123 L124	A85-C103 HydrophobicContact CB-CB 3.67Å; A85-C103 WeakPolarHBondContact CB-SG 3.5Å; C103-T123 WeakPolarHBondContact O-CA 3.48Å; C103-L124 HydrophobicContact CB-CB 4.37Å; C103-L124 PolarHBondContact N-O 2.89Å; C103-L124 PolarHBondContact O-N 3.33Å
104	K	97.6	Very high	97.4	Very high	77 Å²	77	39.4 Å²	39.4	34%	0.335	23%	0.227	S	C	.	.			trans	-66.1	156.7	172.4	-73.1	-169.4	-174.7	157.5	0	111.5	D26 G27 G28 E106 Y107 A108	D26-K104 PolarHBondContact O-NZ 2.81Å; G27-K104 WeakPolarHBondContact O-CD 3.46Å; G27-K104 WeakPolarHBondContact O-CE 3.47Å; G27-K104 PolarHBondContact O-NZ 3.45Å; G27-K104 VanDerWaalsContact O-NZ 3.14Å; G28-K104 PolarHBondContact O-N 3.31Å; K104-E106 WeakPolarHBondContact CB-OE2 3.5Å; K104-E106 PolarHBondContact O-N 3.25Å; K104-E106 VanDerWaalsContact O-N 3.13Å; K104-Y107 PolarHBondContact O-N 2.81Å; K104-A108 PolarHBondContact O-N 3.26Å
105	P	97.6	Very high	97.1	Very high	11 Å²	11	40.1 Å²	40.1	7%	0.071	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-55	-35.9	-175.7	-25.1	33.7	0	0	0	114.2	Y107 A108 G110 K121	P105-Y107 PolarHBondContact O-N 3.14Å; P105-A108 CarbonylContact O-C 3.58Å; P105-A108 PolarHBondContact O-N 2.9Å; P105-G110 WeakPolarHBondContact O-CA 3.3Å; P105-G110 PolarHBondContact O-N 3.04Å; P105-K121 HydrophobicContact CG-CB 4.26Å; P105-K121 WeakPolarHBondContact CG-O 3.49Å
106	E	97.8	Very high	97	Very high	123 Å²	123	44.1 Å²	44.1	58%	0.575	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-63.1	-23.6	-178.7	-62.1	70.1	-148.9	0	0	112.9	K104	K104-E106 WeakPolarHBondContact CB-OE2 3.5Å; K104-E106 PolarHBondContact O-N 3.25Å; K104-E106 VanDerWaalsContact O-N 3.13Å
107	Y	97.9	Very high	96.8	Very high	26 Å²	26	49 Å²	49	10%	0.102	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-106.1	2.1	176.2	-66.7	-93.6	0	0	0	112.9	T22 D26 V29 K84 A85 I88 K104 P105	T22-Y107 HydrophobicContact CG2-CE1 4.06Å; T22-Y107 HydrophobicContact CG2-CE2 4.3Å; D26-Y107 VanDerWaalsContact CG-OH 3.28Å; D26-Y107 PolarHBondContact OD1-OH 2.77Å; D26-Y107 WeakPolarHBondContact OD2-CE2 3.36Å; D26-Y107 PolarHBondContact OD2-OH 3.35Å; V29-Y107 HydrophobicContact CG2-CD1 3.89Å; V29-Y107 HydrophobicContact CG2-CD2 4.45Å; V29-Y107 HydrophobicContact CG2-CG 3.82Å; K84-Y107 HydrophobicContact CB-CD1 4.15Å; K84-Y107 PolarHBondContact N-O 3.31Å; A85-Y107 WeakPolarHBondContact CB-O 3.42Å; A85-Y107 PolarHBondContact N-O 3.29Å; I88-Y107 HydrophobicContact CD1-CD1 3.75Å; I88-Y107 HydrophobicContact CD1-CE1 3.76Å; K104-Y107 PolarHBondContact O-N 2.81Å; P105-Y107 PolarHBondContact O-N 3.14Å
108	A	97.2	Very high	96.7	Very high	20 Å²	20	49.1 Å²	49.1	17%	0.165	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-122.8	178.3	0	0	0	0	0	110.9	I83 K104 P105 L124	I83-A108 HydrophobicContact CD1-CB 4.17Å; K104-A108 PolarHBondContact O-N 3.26Å; P105-A108 CarbonylContact O-C 3.58Å; P105-A108 PolarHBondContact O-N 2.9Å; A108-L124 HydrophobicContact CB-CD1 3.95Å; A108-L124 HydrophobicContact CB-CG 4.29Å
109	Y	96.8	Very high	96.6	Very high	99 Å²	99	50.8 Å²	50.8	39%	0.388	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	8.2	-176.2	-62.8	-85.3	0	0	0	114.4	I83 G113 I118 L124	I83-Y109 HydrophobicContact CG2-CD2 4.31Å; I83-Y109 HydrophobicContact CG2-CE1 4.22Å; I83-Y109 HydrophobicContact CG2-CE2 3.82Å; Y109-G113 PolarHBondContact O-N 2.92Å; Y109-G113 VanDerWaalsContact O-N 3.1Å; Y109-I118 HydrophobicContact CD2-CD1 3.58Å; Y109-I118 HydrophobicContact CD2-CG2 4.03Å; Y109-I118 HydrophobicContact CE2-CD1 3.25Å; Y109-I118 HydrophobicContact CG-CD1 4.45Å; Y109-I118 HydrophobicContact CG-CG2 4.49Å; Y109-L124 HydrophobicContact CD2-CD1 3.8Å; Y109-L124 HydrophobicContact CE2-CD1 3.83Å
110	G	96.5	Very high	96.6	Very high	22 Å²	22	54.8 Å²	54.8	23%	0.227	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	-151.1	172.2	0	0	0	0	0	114.8	P105 A112 K121	P105-G110 WeakPolarHBondContact O-CA 3.3Å; P105-G110 PolarHBondContact O-N 3.04Å; G110-A112 VanDerWaalsContact C-N 3.26Å; G110-A112 PolarHBondContact O-N 3.08Å; G110-K121 WeakPolarHBondContact O-CA 3.43Å; G110-K121 PolarHBondContact O-N 2.97Å
111	S	97	Very high	96.5	Very high	93 Å²	93	60.9 Å²	60.9	65%	0.65	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-17.8	-179.3	53	0	0	0	0	114.1	P120	S111-P120 VanDerWaalsContact O-CB 3.27Å; S111-P120 WeakPolarHBondContact O-CB 3.14Å
112	A	96	Very high	96.4	Very high	71 Å²	71	61.7 Å²	61.7	59%	0.587	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-34.1	179.3	0	0	0	0	0	112.4	G110	G110-A112 VanDerWaalsContact C-N 3.26Å; G110-A112 PolarHBondContact O-N 3.08Å
113	G	95.9	Very high	96.4	Very high	12 Å²	12	62.7 Å²	62.7	12%	0.124	36%	0.362	C	S	.	.			trans	69.9	-161.2	-169.7	0	0	0	0	0	112.1	Y109 P119	Y109-G113 PolarHBondContact O-N 2.92Å; Y109-G113 VanDerWaalsContact O-N 3.1Å; G113-P119 WeakPolarHBondContact CA-O 3.39Å
114	S	96	Very high	96.4	Very high	51 Å²	51	62.7 Å²	62.7	36%	0.357	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-139.3	78.7	171.3	-166.8	0	0	0	0	109.4	K117 I118	S114-K117 PolarHBondContact O-N 3.28Å; S114-I118 CarbonylContact C-O 3.57Å; S114-I118 PolarHBondContact N-O 3.44Å; S114-I118 PolarHBondContact O-N 3.49Å
115	P	92	Very high	96.4	Very high	102 Å²	102	59.2 Å²	59.2	66%	0.662	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	149	-177.9	-23.6	34.8	0	0	0	112.7
116	P	94.3	Very high	96.4	Very high	132 Å²	132	59.1 Å²	59.1	86%	0.857	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	cis	-85.3	-8.6	1.1	34.2	-35.8	0	0	0	114.1
117	K	94.1	Very high	96.4	Very high	128 Å²	128	55.7 Å²	55.7	56%	0.557	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-35.8	-168	-68.1	-174	170.4	-163.2	0	114.1	F63 S114	F63-K117 HydrophobicContact CB-CB 4.4Å; F63-K117 PolarHBondContact O-NZ 3.38Å; F63-K117 VanDerWaalsContact O-NZ 3.08Å; S114-K117 PolarHBondContact O-N 3.28Å
118	I	95.8	Very high	96.4	Very high	8 Å²	8	54.4 Å²	54.4	4%	0.041	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-117.6	112.9	-174.2	-58.2	177.8	0	0	0	109	F63 Y109 S114 A122 L124	F63-I118 HydrophobicContact CD2-CD1 4.27Å; F63-I118 HydrophobicContact CD2-CG1 4.4Å; F63-I118 HydrophobicContact CE2-CD1 4.17Å; F63-I118 HydrophobicContact CG-CG1 4.48Å; Y109-I118 HydrophobicContact CD2-CD1 3.58Å; Y109-I118 HydrophobicContact CD2-CG2 4.03Å; Y109-I118 HydrophobicContact CE2-CD1 3.25Å; Y109-I118 HydrophobicContact CG-CD1 4.45Å; Y109-I118 HydrophobicContact CG-CG2 4.49Å; S114-I118 CarbonylContact C-O 3.57Å; S114-I118 PolarHBondContact N-O 3.44Å; S114-I118 PolarHBondContact O-N 3.49Å; I118-A122 HydrophobicContact CG2-CB 4.02Å; I118-L124 HydrophobicContact CD1-CD1 4.24Å; I118-L124 HydrophobicContact CG2-CD2 4.01Å
119	P	96.3	Very high	96.5	Very high	60 Å²	60	54.4 Å²	54.4	39%	0.39	32%	0.322	S	S	.	.			trans	-65.8	160.2	177.4	-22.7	33.8	0	0	0	113.8	L57 G113 A122	L57-P119 HydrophobicContact CD1-CG 4.49Å; G113-P119 WeakPolarHBondContact CA-O 3.39Å; P119-A122 WeakPolarHBondContact O-CB 3.44Å; P119-A122 PolarHBondContact O-N 3.19Å
120	P	97.4	Very high	96.6	Very high	84 Å²	84	49.7 Å²	49.7	55%	0.545	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	136	163.8	-33.3	40.6	0	0	0	113.1	S111 A122	S111-P120 VanDerWaalsContact O-CB 3.27Å; S111-P120 WeakPolarHBondContact O-CB 3.14Å; P120-A122 PolarHBondContact O-N 2.83Å
121	K	96.8	Very high	96.6	Very high	153 Å²	153	51.7 Å²	51.7	67%	0.665	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	30	175.7	-54.9	-179.6	-179.6	178.1	0	114.1	P105 G110	P105-K121 HydrophobicContact CG-CB 4.26Å; P105-K121 WeakPolarHBondContact CG-O 3.49Å; G110-K121 WeakPolarHBondContact O-CA 3.43Å; G110-K121 PolarHBondContact O-N 2.97Å
122	A	96.4	Very high	96.5	Very high	18 Å²	18	50.3 Å²	50.3	15%	0.149	29%	0.289	C	S	.	.			trans	-76	130.3	177.7	0	0	0	0	0	112	L57 I118 P119 P120 L124	L57-A122 HydrophobicContact CD2-CB 4.25Å; I118-A122 HydrophobicContact CG2-CB 4.02Å; P119-A122 WeakPolarHBondContact O-CB 3.44Å; P119-A122 PolarHBondContact O-N 3.19Å; P120-A122 PolarHBondContact O-N 2.83Å; A122-L124 HydrophobicContact CB-CD2 4.06Å
123	T	96.7	Very high	96.5	Very high	27 Å²	27	48.6 Å²	48.6	17%	0.166	27%	0.268	C	S	.	.			trans	-79.8	129.3	162.4	-60.6	0	0	0	0	108.4	L58 I102 C103	L58-T123 HydrophobicContact CD1-CG2 3.9Å; L58-T123 HydrophobicContact CD2-CG2 4.09Å; L58-T123 HydrophobicContact CG-CG2 3.97Å; I102-T123 HydrophobicContact CG2-CG2 3.79Å; C103-T123 WeakPolarHBondContact O-CA 3.48Å
124	L	97.4	Very high	96.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	146	-177.5	-52.5	-176	0	0	0	110.5	L57 F63 C103 A108 Y109 I118 A122 F126	L57-L124 HydrophobicContact CD2-CD2 3.73Å; F63-L124 HydrophobicContact CE1-CD2 3.89Å; F63-L124 HydrophobicContact CZ-CB 4.47Å; F63-L124 HydrophobicContact CZ-CD1 4.17Å; F63-L124 HydrophobicContact CZ-CD2 4.23Å; C103-L124 HydrophobicContact CB-CB 4.37Å; C103-L124 PolarHBondContact N-O 2.89Å; C103-L124 PolarHBondContact O-N 3.33Å; A108-L124 HydrophobicContact CB-CD1 3.95Å; A108-L124 HydrophobicContact CB-CG 4.29Å; Y109-L124 HydrophobicContact CD2-CD1 3.8Å; Y109-L124 HydrophobicContact CE2-CD1 3.83Å; I118-L124 HydrophobicContact CD1-CD1 4.24Å; I118-L124 HydrophobicContact CG2-CD2 4.01Å; A122-L124 HydrophobicContact CB-CD2 4.06Å; L124-F126 HydrophobicContact CB-CD2 4.2Å; L124-F126 HydrophobicContact CB-CE2 3.73Å; L124-F126 HydrophobicContact CD1-CE2 3.8Å; L124-F126 HydrophobicContact CD1-CZ 4.13Å; L124-F126 HydrophobicContact CG-CE2 4.45Å
125	V	97.9	Very high	96.2	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.018	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	125.6	171.3	-175.7	0	0	0	0	107.7	M14 T56 L58 Q100 L101 I102	M14-V125 HydrophobicContact SD-CG1 4.27Å; T56-V125 PolarHBondContact N-O 2.9Å; T56-V125 PolarHBondContact O-N 2.85Å; L58-V125 HydrophobicContact CD2-CG2 3.88Å; Q100-V125 HydrophobicContact CG-CG1 3.68Å; L101-V125 CarbonylContact O-C 3.59Å; L101-V125 WeakPolarHBondContact O-CA 3.04Å; I102-V125 HydrophobicContact CG1-CG2 4.5Å
126	F	98.2	Very high	96.2	Very high	9 Å²	9	51.7 Å²	51.7	4%	0.039	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.9	174.2	-73.5	-85.2	0	0	0	109.9	Y53 V54 F63 I83 W86 Q100 L101 L124 V128	Y53-F126 AromaticContact CD2-CD1 3.99Å; Y53-F126 HydrophobicContact CD2-CD1 3.99Å; Y53-F126 HydrophobicContact CD2-CE1 4.05Å; Y53-F126 HydrophobicContact CE2-CE1 4.3Å; V54-F126 CarbonylContact O-C 3.49Å; V54-F126 WeakPolarHBondContact O-CA 3.2Å; F63-F126 HydrophobicContact CE2-CE1 4Å; F63-F126 AromaticContact CE2-CZ 3.93Å; F63-F126 HydrophobicContact CE2-CZ 3.93Å; F63-F126 AromaticContact CZ-CE1 3.83Å; F63-F126 HydrophobicContact CZ-CE1 3.83Å; F63-F126 HydrophobicContact CZ-CE2 4.22Å; F63-F126 AromaticContact CZ-CZ 3.58Å; F63-F126 HydrophobicContact CZ-CZ 3.58Å; I83-F126 HydrophobicContact CD1-CD2 4.5Å; I83-F126 HydrophobicContact CD1-CE2 3.7Å; I83-F126 HydrophobicContact CD1-CZ 4.28Å; W86-F126 AromaticContact CE2-CD1 3.95Å; W86-F126 AromaticContact CZ2-CD1 3.71Å; W86-F126 HydrophobicContact CZ2-CD1 3.71Å; W86-F126 AromaticContact CZ2-CE1 3.98Å; W86-F126 HydrophobicContact CZ2-CE1 3.98Å; W86-F126 HydrophobicContact CZ2-CG 4.28Å; W86-F126 AromaticContact NE1-CD1 3.58Å; W86-F126 AromaticContact NE1-CD2 3.45Å; W86-F126 AromaticContact NE1-CE1 3.8Å; W86-F126 AromaticContact NE1-CE2 3.68Å; W86-F126 AromaticContact NE1-CG 3.38Å; W86-F126 AromaticContact NE1-CZ 3.83Å; Q100-F126 CarbonylContact C-O 3.59Å; Q100-F126 WeakPolarHBondContact CA-O 2.94Å; L101-F126 HydrophobicContact CB-CB 4.41Å; L101-F126 PolarHBondContact N-O 3.47Å; L101-F126 PolarHBondContact O-N 3.2Å; L124-F126 HydrophobicContact CB-CD2 4.2Å; L124-F126 HydrophobicContact CB-CE2 3.73Å; L124-F126 HydrophobicContact CD1-CE2 3.8Å; L124-F126 HydrophobicContact CD1-CZ 4.13Å; L124-F126 HydrophobicContact CG-CE2 4.45Å; F126-V128 HydrophobicContact CB-CG2 3.88Å
127	E	98.1	Very high	96.2	Very high	51 Å²	51	47.4 Å²	47.4	24%	0.238	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	123.5	157.3	-176.3	176.9	97.2	0	0	107.7	K34 Y53 V54 L98 C99	K34-E127 HydrophobicContact CD-CG 4.48Å; K34-E127 WeakPolarHBondContact CD-OE2 3.08Å; K34-E127 IonicContact NZ-OE2 3.47Å; K34-E127 PolarHBondContact NZ-OE2 3.41Å; Y53-E127 CarbonylContact C-O 3.56Å; Y53-E127 WeakPolarHBondContact CA-O 3.37Å; Y53-E127 WeakPolarHBondContact CB-O 3.36Å; V54-E127 HydrophobicContact CB-CB 4.47Å; V54-E127 PolarHBondContact N-O 2.97Å; V54-E127 PolarHBondContact O-N 2.89Å; L98-E127 HydrophobicContact CD1-CG 3.6Å; L98-E127 HydrophobicContact CG-CG 4.17Å; C99-E127 CarbonylContact O-C 3.59Å; C99-E127 WeakPolarHBondContact O-CA 3.48Å
128	V	98.4	Very high	96.2	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	131.9	-174.9	-172.8	0	0	0	0	109.6	V51 H52 W86 V90 M93 L98 C99 L101 F126	V51-V128 HydrophobicContact CB-CG1 4.02Å; V51-V128 HydrophobicContact CG1-CG1 4.07Å; V51-V128 HydrophobicContact CG2-CG1 4.43Å; H52-V128 WeakPolarHBondContact O-CA 3.41Å; W86-V128 HydrophobicContact CZ2-CG2 3.97Å; V90-V128 HydrophobicContact CG2-CG1 4.29Å; M93-V128 HydrophobicContact CE-CB 4.46Å; M93-V128 HydrophobicContact CE-CG1 4.35Å; M93-V128 VanDerWaalsContact CE-O 3.3Å; M93-V128 WeakPolarHBondContact CE-O 3.43Å; M93-V128 HydrophobicContact SD-CB 4.31Å; M93-V128 HydrophobicContact SD-CG1 4.02Å; L98-V128 WeakPolarHBondContact CA-O 3.34Å; C99-V128 PolarHBondContact N-O 3.26Å; C99-V128 PolarHBondContact O-N 2.96Å; L101-V128 HydrophobicContact CD1-CG2 4.19Å; F126-V128 HydrophobicContact CB-CG2 3.88Å
129	E	98.4	Very high	96.2	Very high	20 Å²	20	43.2 Å²	43.2	9%	0.093	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	117.8	175.4	-169.4	176	-166.9	0	0	109.5	R35 V51 H52 R67 E97 L98 F131	R35-E129 IonicContact CZ-OE1 2.77Å; R35-E129 IonicContact NH1-OE1 3.27Å; R35-E129 IonicContact NH2-OE1 3.58Å; R35-E129 PolarHBondContact NH2-OE1 3.44Å; V51-E129 CarbonylContact C-O 3.52Å; V51-E129 WeakPolarHBondContact CA-O 3.45Å; V51-E129 WeakPolarHBondContact CB-O 3.45Å; H52-E129 HydrophobicContact CB-CB 4.49Å; H52-E129 PolarHBondContact N-O 2.96Å; H52-E129 PolarHBondContact O-N 3.32Å; R67-E129 IonicContact CZ-OE2 3.53Å; R67-E129 IonicContact NH1-OE2 3.37Å; R67-E129 PolarHBondContact NH1-OE2 3.49Å; R67-E129 VanDerWaalsContact NH1-OE2 3.14Å; R67-E129 IonicContact NH2-OE2 2.78Å; R67-E129 PolarHBondContact NH2-OE2 2.9Å; E97-E129 VanDerWaalsContact O-CA 3.32Å; E97-E129 WeakPolarHBondContact O-CA 3.46Å; L98-E129 HydrophobicContact CD1-CB 3.74Å; L98-E129 HydrophobicContact CD1-CG 4.27Å; E129-F131 HydrophobicContact CB-CE2 3.89Å; E129-F131 HydrophobicContact CG-CD2 4.28Å; E129-F131 HydrophobicContact CG-CE2 3.63Å; E129-F131 HydrophobicContact CG-CZ 3.88Å; E129-F131 VanDerWaalsContact OE2-CZ 3.25Å; E129-F131 WeakPolarHBondContact OE2-CZ 3.45Å
130	L	98.3	Very high	95.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	118	178	177.8	62	0	0	0	110.2	P43 V49 V51 V90 M93 G96 E97 E132 F133	P43-L130 HydrophobicContact CG-CD2 3.67Å; V49-L130 HydrophobicContact CB-CD1 4.27Å; V51-L130 HydrophobicContact CG1-CD1 3.92Å; V90-L130 HydrophobicContact CG1-CD1 4.4Å; M93-L130 HydrophobicContact CB-CB 4.14Å; M93-L130 HydrophobicContact CB-CD2 3.68Å; M93-L130 HydrophobicContact CE-CB 3.76Å; M93-L130 HydrophobicContact SD-CB 4.27Å; G96-L130 WeakPolarHBondContact CA-O 3.2Å; G96-L130 PolarHBondContact N-O 3.48Å; E97-L130 PolarHBondContact O-N 3.02Å; L130-E132 WeakPolarHBondContact CD1-O 3.46Å; L130-F133 HydrophobicContact CD2-CD1 4.27Å
131	F	97	Very high	95.5	Very high	64 Å²	64	51.2 Å²	51.2	28%	0.281	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-37.7	179.7	-76.2	-90.7	0	0	0	113.3	F50 H52 K72 V95 E129	F50-F131 PolarHBondContact O-N 2.89Å; H52-F131 HydrophobicContact CB-CE2 3.87Å; H52-F131 AromaticContact CD2-CE2 3.47Å; H52-F131 VanDerWaalsContact CD2-CE2 3.47Å; H52-F131 WeakPolarHBondContact CD2-CE2 3.32Å; H52-F131 AromaticContact CD2-CZ 3.77Å; K72-F131 HydrophobicContact CD-CB 4.14Å; K72-F131 HydrophobicContact CD-CD2 4.15Å; K72-F131 HydrophobicContact CD-CG 4.03Å; K72-F131 VanDerWaalsContact CE-CG 3.45Å; K72-F131 HydrophobicContact CG-CD2 4.48Å; V95-F131 WeakPolarHBondContact CG1-O 3.34Å; E129-F131 HydrophobicContact CB-CE2 3.89Å; E129-F131 HydrophobicContact CG-CD2 4.28Å; E129-F131 HydrophobicContact CG-CE2 3.63Å; E129-F131 HydrophobicContact CG-CZ 3.88Å; E129-F131 VanDerWaalsContact OE2-CZ 3.25Å; E129-F131 WeakPolarHBondContact OE2-CZ 3.45Å
132	E	95.9	Very high	95.1	Very high	64 Å²	64	51.7 Å²	51.7	30%	0.299	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	149.7	-171.6	-176.9	169.7	-159.4	0	0	109.4	V49 F50 L130 R134	V49-E132 CarbonylContact C-O 3.59Å; F50-E132 HydrophobicContact CB-CB 4.21Å; F50-E132 HydrophobicContact CD2-CB 3.97Å; F50-E132 HydrophobicContact CD2-CG 4.14Å; F50-E132 HydrophobicContact CG-CB 4.42Å; F50-E132 PolarHBondContact N-O 2.7Å; F50-E132 PolarHBondContact O-N 2.96Å; L130-E132 WeakPolarHBondContact CD1-O 3.46Å; E132-R134 VanDerWaalsContact CD-NE 3.3Å; E132-R134 HydrophobicContact CG-CG 4.23Å; E132-R134 IonicContact OE1-CZ 2.74Å; E132-R134 IonicContact OE1-NE 3.78Å; E132-R134 PolarHBondContact OE1-NE 2.68Å; E132-R134 IonicContact OE1-NH2 3.64Å; E132-R134 PolarHBondContact OE1-NH2 3.1Å; E132-R134 IonicContact OE2-CZ 2.63Å; E132-R134 IonicContact OE2-NE 2.66Å; E132-R134 IonicContact OE2-NH2 3.82Å; E132-R134 PolarHBondContact OE2-NH2 3.41Å
133	F	95.3	Very high	94.9	Very high	34 Å²	34	53.3 Å²	53.3	15%	0.149	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	149.5	160.7	63	-94.2	0	0	0	109.1	D41 P43 D47 K48 V49 V95 L130	D41-F133 HydrophobicContact CB-CZ 3.84Å; P43-F133 HydrophobicContact CB-CB 4.29Å; P43-F133 HydrophobicContact CB-CD1 4.34Å; P43-F133 HydrophobicContact CB-CG 4.17Å; P43-F133 HydrophobicContact CG-CB 4.13Å; P43-F133 HydrophobicContact CG-CD1 3.56Å; P43-F133 HydrophobicContact CG-CE1 4.06Å; P43-F133 HydrophobicContact CG-CG 3.87Å; D47-F133 WeakPolarHBondContact OD2-CD2 3.5Å; K48-F133 CarbonylContact O-C 3.59Å; K48-F133 VanDerWaalsContact O-CA 3.24Å; K48-F133 WeakPolarHBondContact O-CA 3.44Å; V49-F133 HydrophobicContact CB-CB 4.49Å; V49-F133 HydrophobicContact CG1-CB 3.85Å; V95-F133 HydrophobicContact CG2-CD1 3.81Å; V95-F133 HydrophobicContact CG2-CE1 3.67Å; L130-F133 HydrophobicContact CD2-CD1 4.27Å
134	R	92.4	Very high	94.7	Very high	139 Å²	139	52.9 Å²	52.9	53%	0.525	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.5	177.3	-59.7	-177	-175.3	169.4	7.7	108.9	D47 K48 E132	D47-R134 CarbonylContact C-O 3.44Å; D47-R134 WeakPolarHBondContact CA-O 3.34Å; K48-R134 PolarHBondContact N-O 2.81Å; K48-R134 PolarHBondContact O-N 3.2Å; E132-R134 VanDerWaalsContact CD-NE 3.3Å; E132-R134 HydrophobicContact CG-CG 4.23Å; E132-R134 IonicContact OE1-CZ 2.74Å; E132-R134 IonicContact OE1-NE 3.78Å; E132-R134 PolarHBondContact OE1-NE 2.68Å; E132-R134 IonicContact OE1-NH2 3.64Å; E132-R134 PolarHBondContact OE1-NH2 3.1Å; E132-R134 IonicContact OE2-CZ 2.63Å; E132-R134 IonicContact OE2-NE 2.66Å; E132-R134 IonicContact OE2-NH2 3.82Å; E132-R134 PolarHBondContact OE2-NH2 3.41Å
135	G	93.4	Very high	94.6	Very high	14 Å²	14	52.9 Å²	52.9	14%	0.144	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-64.7	170.5	166.5	0	0	0	0	0	111.4	D47 R148	D47-G135 WeakPolarHBondContact OD1-CA 3.29Å; G135-R148 CarbonylContact C-O 3.57Å; G135-R148 VanDerWaalsContact CA-O 3.3Å; G135-R148 WeakPolarHBondContact CA-O 3.49Å
136	E	92.1	Very high	94.6	Very high	77 Å²	77	52.8 Å²	52.8	36%	0.36	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	128.4	177.9	-178.8	-172.8	177.1	0	0	110.2	I138 I147 R148	E136-I138 HydrophobicContact CG-CG2 4.19Å; E136-I138 PolarHBondContact O-N 3.1Å; E136-I147 CarbonylContact O-C 3.57Å; E136-I147 WeakPolarHBondContact O-CA 3.46Å; E136-R148 HydrophobicContact CB-CB 4.46Å; E136-R148 PolarHBondContact N-O 3Å; E136-R148 PolarHBondContact O-N 3.28Å; E136-R148 IonicContact OE1-NH2 2.59Å; E136-R148 PolarHBondContact OE1-NH2 2.84Å; E136-R148 IonicContact OE2-CZ 3.57Å; E136-R148 IonicContact OE2-NE 3.77Å; E136-R148 PolarHBondContact OE2-NE 2.95Å; E136-R148 IonicContact OE2-NH2 2.77Å; E136-R148 PolarHBondContact OE2-NH2 2.98Å
137	D	93.9	Very high	94.5	Very high	43 Å²	43	54.2 Å²	54.2	23%	0.23	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	116.1	169.6	-171.8	-9.2	0	0	0	109.4	T139 E142 D143 G144 I147	D137-T139 VanDerWaalsContact CG-OG1 3.32Å; D137-T139 VanDerWaalsContact OD1-CB 3.32Å; D137-T139 WeakPolarHBondContact OD1-CB 3.35Å; D137-T139 WeakPolarHBondContact OD1-CG2 3.42Å; D137-T139 PolarHBondContact OD1-N 3.09Å; D137-T139 PolarHBondContact OD1-OG1 2.65Å; D137-T139 PolarHBondContact OD2-OG1 3.18Å; D137-E142 VanDerWaalsContact OD2-CA 3.24Å; D137-E142 WeakPolarHBondContact OD2-CA 3.34Å; D137-D143 PolarHBondContact OD2-N 3.38Å; D137-G144 WeakPolarHBondContact OD2-CA 3.09Å; D137-G144 PolarHBondContact OD2-N 2.75Å; D137-I147 HydrophobicContact CB-CD1 3.93Å
138	I	94.9	Very high	94.5	Very high	36 Å²	36	52.4 Å²	52.4	19%	0.185	25%	0.251	C	S	.	.			trans	-97.1	8.3	-178.5	65.8	156.4	0	0	0	112.7	E136 I146 R148 A203 A206 F215	E136-I138 HydrophobicContact CG-CG2 4.19Å; E136-I138 PolarHBondContact O-N 3.1Å; I138-I146 HydrophobicContact CD1-CB 4.21Å; I138-I146 HydrophobicContact CD1-CG2 3.67Å; I138-I146 HydrophobicContact CG1-CB 3.72Å; I138-I146 HydrophobicContact CG1-CG2 3.62Å; I138-I146 WeakPolarHBondContact CG1-O 3.33Å; I138-I146 PolarHBondContact N-O 3.14Å; I138-R148 HydrophobicContact CG2-CB 3.84Å; I138-A203 HydrophobicContact CD1-CB 4.32Å; I138-A206 HydrophobicContact CB-CB 4.23Å; I138-A206 HydrophobicContact CD1-CB 3.72Å; I138-A206 HydrophobicContact CG2-CB 4.18Å; I138-F215 HydrophobicContact CD1-CD1 4.2Å; I138-F215 HydrophobicContact CD1-CE1 3.88Å
139	T	94.1	Very high	94.3	Very high	11 Å²	11	53.4 Å²	53.4	7%	0.067	26%	0.255	C	S	.	.			trans	-80.2	142.2	177.2	65.5	0	0	0	0	110.9	D137 E141 E142 D143 I146 Y221	D137-T139 VanDerWaalsContact CG-OG1 3.32Å; D137-T139 VanDerWaalsContact OD1-CB 3.32Å; D137-T139 WeakPolarHBondContact OD1-CB 3.35Å; D137-T139 WeakPolarHBondContact OD1-CG2 3.42Å; D137-T139 PolarHBondContact OD1-N 3.09Å; D137-T139 PolarHBondContact OD1-OG1 2.65Å; D137-T139 PolarHBondContact OD2-OG1 3.18Å; T139-E141 PolarHBondContact O-N 3.1Å; T139-E142 PolarHBondContact O-N 3.22Å; T139-E142 VanDerWaalsContact O-N 3.17Å; T139-E142 WeakPolarHBondContact OG1-CA 3.36Å; T139-E142 PolarHBondContact OG1-N 3.2Å; T139-D143 WeakPolarHBondContact CG2-OD1 3.38Å; T139-D143 PolarHBondContact OG1-N 3.36Å; T139-D143 PolarHBondContact OG1-OD1 2.79Å; T139-I146 HydrophobicContact CG2-CB 3.97Å; T139-I146 HydrophobicContact CG2-CD1 4.39Å; T139-I146 HydrophobicContact CG2-CG1 3.94Å; T139-I146 VanDerWaalsContact CG2-N 3.34Å; T139-Y221 HydrophobicContact CG2-CE1 4.36Å; T139-Y221 HydrophobicContact CG2-CE2 3.91Å
140	E	89.7	Confident	94	Very high	171 Å²	171	53 Å²	53	80%	0.799	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-28.7	179.3	-66.8	161.9	-131.3	0	0	112.8	K202	E140-K202 IonicContact OE1-NZ 2.71Å; E140-K202 PolarHBondContact OE1-NZ 3.18Å; E140-K202 VanDerWaalsContact OE1-NZ 3.14Å
141	E	89.8	Confident	93.8	Very high	141 Å²	141	56.4 Å²	56.4	66%	0.659	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-1.5	-179.2	-62.5	179	157.2	0	0	113.1	T139 D143 K220	T139-E141 PolarHBondContact O-N 3.1Å; E141-D143 HydrophobicContact CB-CB 4.3Å; E141-D143 PolarHBondContact O-N 3.02Å; E141-K220 IonicContact OE2-NZ 3.59Å; E141-K220 PolarHBondContact OE2-NZ 2.77Å
142	E	89.6	Confident	93.6	Very high	163 Å²	163	56.6 Å²	56.6	76%	0.762	28%	0.277	S	S	*	.			trans	49.3	42.2	-171	-60.1	-176.8	-174	0	0	112.6	D137 T139 G144	D137-E142 VanDerWaalsContact OD2-CA 3.24Å; D137-E142 WeakPolarHBondContact OD2-CA 3.34Å; T139-E142 PolarHBondContact O-N 3.22Å; T139-E142 VanDerWaalsContact O-N 3.17Å; T139-E142 WeakPolarHBondContact OG1-CA 3.36Å; T139-E142 PolarHBondContact OG1-N 3.2Å; E142-G144 VanDerWaalsContact C-N 3.27Å; E142-G144 PolarHBondContact O-N 3.19Å
143	D	91.3	Very high	93.3	Very high	52 Å²	52	60.1 Å²	60.1	28%	0.278	29%	0.292	S	S	.	.			trans	-86.4	5.1	-173.5	75.9	-4.3	0	0	0	114	D137 T139 E141 G145 K218 K220 Y221	D137-D143 PolarHBondContact OD2-N 3.38Å; T139-D143 WeakPolarHBondContact CG2-OD1 3.38Å; T139-D143 PolarHBondContact OG1-N 3.36Å; T139-D143 PolarHBondContact OG1-OD1 2.79Å; E141-D143 HydrophobicContact CB-CB 4.3Å; E141-D143 PolarHBondContact O-N 3.02Å; D143-G145 PolarHBondContact O-N 2.87Å; D143-G145 WeakPolarHBondContact OD1-CA 3.48Å; D143-G145 PolarHBondContact OD1-N 3.43Å; D143-K218 PolarHBondContact O-NZ 2.73Å; D143-K220 IonicContact OD2-NZ 2.81Å; D143-K220 PolarHBondContact OD2-NZ 3.37Å; D143-Y221 PolarHBondContact OD2-OH 2.61Å
144	G	93.1	Very high	93.2	Very high	18 Å²	18	58.9 Å²	58.9	19%	0.186	29%	0.289	C	S	.	.	S	Bend	trans	64.1	21.5	-173.3	0	0	0	0	0	112.9	D137 E142 K218	D137-G144 WeakPolarHBondContact OD2-CA 3.09Å; D137-G144 PolarHBondContact OD2-N 2.75Å; E142-G144 VanDerWaalsContact C-N 3.27Å; E142-G144 PolarHBondContact O-N 3.19Å; G144-K218 WeakPolarHBondContact O-CD 3.45Å; G144-K218 WeakPolarHBondContact O-CE 3.26Å; G144-K218 PolarHBondContact O-NZ 3.34Å
145	G	95.9	Very high	93.1	Very high	1 Å²	1	60 Å²	60	1%	0.01	30%	0.3	C	S	.	.	S	Bend	trans	-76.5	-32.3	-172.2	0	0	0	0	0	114.2	D143 M217 K218	D143-G145 PolarHBondContact O-N 2.87Å; D143-G145 WeakPolarHBondContact OD1-CA 3.48Å; D143-G145 PolarHBondContact OD1-N 3.43Å; G145-M217 WeakPolarHBondContact O-CA 3.46Å; G145-K218 PolarHBondContact O-N 2.95Å
146	I	97.7	Very high	92.9	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	107.6	174.9	-49.8	172.4	0	0	0	108.6	I138 T139 K202 F215 I216 M217 Y221	I138-I146 HydrophobicContact CD1-CB 4.21Å; I138-I146 HydrophobicContact CD1-CG2 3.67Å; I138-I146 HydrophobicContact CG1-CB 3.72Å; I138-I146 HydrophobicContact CG1-CG2 3.62Å; I138-I146 WeakPolarHBondContact CG1-O 3.33Å; I138-I146 PolarHBondContact N-O 3.14Å; T139-I146 HydrophobicContact CG2-CB 3.97Å; T139-I146 HydrophobicContact CG2-CD1 4.39Å; T139-I146 HydrophobicContact CG2-CG1 3.94Å; T139-I146 VanDerWaalsContact CG2-N 3.34Å; I146-K202 HydrophobicContact CD1-CB 3.8Å; I146-K202 HydrophobicContact CD1-CD 4.17Å; I146-F215 HydrophobicContact CG2-CD1 3.95Å; I146-I216 WeakPolarHBondContact CA-O 3.36Å; I146-M217 HydrophobicContact CG1-CG 4.45Å; I146-M217 HydrophobicContact CG2-CG 4.12Å; I146-Y221 HydrophobicContact CD1-CD1 3.6Å; I146-Y221 HydrophobicContact CD1-CE1 4.2Å; I146-Y221 HydrophobicContact CD1-CG 3.78Å; I146-Y221 HydrophobicContact CG1-CD1 3.9Å; I146-Y221 HydrophobicContact CG1-CD2 3.91Å; I146-Y221 HydrophobicContact CG1-CG 3.54Å
147	I	96.4	Very high	92.7	Very high	38 Å²	38	68.3 Å²	68.3	20%	0.195	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	121.9	178.2	-54.5	-56.3	0	0	0	109.3	E136 D137 F215 I216	E136-I147 CarbonylContact O-C 3.57Å; E136-I147 WeakPolarHBondContact O-CA 3.46Å; D137-I147 HydrophobicContact CB-CD1 3.93Å; I147-F215 CarbonylContact O-C 3.58Å; I147-F215 VanDerWaalsContact O-CA 3.3Å; I147-F215 WeakPolarHBondContact O-CA 3.25Å; I147-I216 HydrophobicContact CB-CB 4.34Å; I147-I216 PolarHBondContact N-O 3.08Å; I147-I216 PolarHBondContact O-N 2.85Å
148	R	96.3	Very high	92.7	Very high	14 Å²	14	69.2 Å²	69.2	5%	0.053	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	136.9	176.7	179.5	170.7	68.2	172.4	-12.2	111.3	G135 E136 I138 I150 A206 E211 A213 L214 F215	G135-R148 CarbonylContact C-O 3.57Å; G135-R148 VanDerWaalsContact CA-O 3.3Å; G135-R148 WeakPolarHBondContact CA-O 3.49Å; E136-R148 HydrophobicContact CB-CB 4.46Å; E136-R148 PolarHBondContact N-O 3Å; E136-R148 PolarHBondContact O-N 3.28Å; E136-R148 IonicContact OE1-NH2 2.59Å; E136-R148 PolarHBondContact OE1-NH2 2.84Å; E136-R148 IonicContact OE2-CZ 3.57Å; E136-R148 IonicContact OE2-NE 3.77Å; E136-R148 PolarHBondContact OE2-NE 2.95Å; E136-R148 IonicContact OE2-NH2 2.77Å; E136-R148 PolarHBondContact OE2-NH2 2.98Å; I138-R148 HydrophobicContact CG2-CB 3.84Å; R148-I150 HydrophobicContact CG-CG1 4.32Å; R148-A206 PolarHBondContact NH1-O 2.91Å; R148-E211 WeakPolarHBondContact CD-OE1 3.42Å; R148-E211 IonicContact CZ-OE1 3.81Å; R148-E211 IonicContact NE-OE1 3.12Å; R148-E211 IonicContact NH1-OE1 3.76Å; R148-E211 PolarHBondContact NH1-OE1 3.43Å; R148-E211 IonicContact NH1-OE2 2.67Å; R148-E211 PolarHBondContact NH1-OE2 2.9Å; R148-A213 HydrophobicContact CG-CB 4.13Å; R148-L214 CarbonylContact C-O 3.56Å; R148-F215 HydrophobicContact CB-CD1 3.88Å; R148-F215 HydrophobicContact CB-CE1 3.59Å; R148-F215 HydrophobicContact CB-CZ 4.4Å; R148-F215 HydrophobicContact CG-CD1 4.16Å; R148-F215 HydrophobicContact CG-CE1 3.54Å; R148-F215 HydrophobicContact CG-CZ 3.84Å
149	R	94.6	Very high	92.8	Very high	21 Å²	21	71.4 Å²	71.4	8%	0.079	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	116.1	168.6	-56.3	-170	72.5	-158.6	-3.4	109.6	F42 M44 D47 A213 L214	F42-R149 PolarHBondContact O-NH2 3.05Å; M44-R149 HydrophobicContact SD-CB 4.05Å; D47-R149 IonicContact OD1-NE 2.69Å; D47-R149 IonicContact OD2-CZ 3.29Å; D47-R149 IonicContact OD2-NE 2.68Å; D47-R149 PolarHBondContact OD2-NE 2.84Å; D47-R149 IonicContact OD2-NH2 3.04Å; D47-R149 PolarHBondContact OD2-NH2 3.37Å; R149-A213 CarbonylContact O-C 3.38Å; R149-A213 WeakPolarHBondContact O-CA 3.04Å; R149-A213 WeakPolarHBondContact O-CB 3.44Å; R149-L214 HydrophobicContact CB-CB 4.47Å; R149-L214 PolarHBondContact N-O 3.12Å; R149-L214 PolarHBondContact O-N 3.13Å
150	I	92.8	Very high	92.9	Very high	12 Å²	12	71.2 Å²	71.2	6%	0.062	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	124.2	-172.4	-57.6	172.8	0	0	0	109.7	R148 E211	R148-I150 HydrophobicContact CG-CG1 4.32Å; I150-E211 HydrophobicContact CG2-CG 4.48Å
151	I	93.1	Very high	93.1	Very high	71 Å²	71	64 Å²	64	36%	0.364	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-55.2	175.5	-57.2	170.9	0	0	0	109.3	M44 E212 L214 K242	M44-I151 HydrophobicContact CE-CB 4.19Å; M44-I151 HydrophobicContact CE-CG1 3.69Å; I151-E212 WeakPolarHBondContact CA-O 3.18Å; I151-E212 HydrophobicContact CB-CB 4.47Å; I151-E212 HydrophobicContact CB-CG 4.35Å; I151-E212 VanDerWaalsContact CB-O 3.29Å; I151-E212 WeakPolarHBondContact CB-O 3.1Å; I151-E212 HydrophobicContact CD1-CG 4.31Å; I151-E212 PolarHBondContact N-O 3.25Å; I151-L214 HydrophobicContact CD1-CB 4.38Å; I151-K242 HydrophobicContact CD1-CD 4.27Å; I151-K242 HydrophobicContact CD1-CG 4.08Å
152	T	92.6	Very high	93	Very high	67 Å²	67	62.6 Å²	62.6	41%	0.411	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125	176.7	-54.6	0	0	0	0	107.8	E211 E212	T152-E211 WeakPolarHBondContact O-CA 3.38Å; T152-E212 PolarHBondContact N-O 3.33Å; T152-E212 PolarHBondContact O-N 3.4Å
153	K	91.1	Very high	92.9	Very high	139 Å²	139	55.1 Å²	55.1	60%	0.604	28%	0.283	S	S	*	.			trans	-68.2	137.2	177.8	-167.7	-172.7	173.5	-175.1	0	109.9
154	G	92.4	Very high	93	Very high	8 Å²	8	52.6 Å²	52.6	8%	0.082	27%	0.269	C	S	.	.			trans	-73.5	178.3	171.1	0	0	0	0	0	113.4	Q209	G154-Q209 CarbonylContact C-O 3.59Å; G154-Q209 VanDerWaalsContact CA-O 3.25Å; G154-Q209 WeakPolarHBondContact CA-O 3.4Å
155	E	90.3	Very high	93.1	Very high	162 Å²	162	54.1 Å²	54.1	76%	0.757	28%	0.275	S	S	*	.	B	Isolated β-bridge	trans	-115.8	147.7	177.5	-63	-176.3	178.3	0	0	110.8	Q209	E155-Q209 PolarHBondContact N-O 2.88Å
156	G	89.9	Confident	93.2	Very high	45 Å²	45	54.1 Å²	54.1	46%	0.464	27%	0.274	S	S	.	.	S	Bend	trans	81	-167.9	-178.5	0	0	0	0	0	113.5
157	Y	87.7	Confident	93.3	Very high	221 Å²	221	57.6 Å²	57.6	87%	0.867	29%	0.291	S	S	*	.	S	Bend	trans	-126.8	-7.9	-177.2	-57.4	-80.3	0	0	0	112.7
158	S	93.8	Very high	93.4	Very high	62 Å²	62	56 Å²	56	43%	0.434	28%	0.283	S	S	.	.			trans	-81.3	143	-179.4	50.2	0	0	0	0	110.5	F248	S158-F248 WeakPolarHBondContact O-CZ 3.42Å
159	K	96.7	Very high	93.5	Very high	82 Å²	82	57.4 Å²	57.4	36%	0.357	29%	0.289	S	S	.	.			trans	-124.6	154	175.1	-54.9	-175.3	178.9	-168.9	0	110.6	M205 A206 F248	K159-M205 WeakPolarHBondContact CB-O 3.14Å; K159-A206 WeakPolarHBondContact CE-O 3.38Å; K159-A206 PolarHBondContact NZ-O 3.3Å; K159-F248 WeakPolarHBondContact O-CE2 3.45Å
160	P	97.3	Very high	93.7	Very high	6 Å²	6	56.4 Å²	56.4	4%	0.039	29%	0.286	C	S	.	.			trans	-58.5	142.2	171.2	-19.2	30.3	0	0	0	111.3	A164 V166 I204 M207 L245 F248	P160-A164 HydrophobicContact CB-CB 3.97Å; P160-V166 HydrophobicContact CB-CG1 3.88Å; P160-V166 HydrophobicContact CG-CG1 4.02Å; P160-I204 HydrophobicContact CG-CG2 4.12Å; P160-M207 WeakPolarHBondContact CD-O 3.39Å; P160-L245 HydrophobicContact CG-CD2 3.74Å; P160-F248 HydrophobicContact CB-CB 4.48Å; P160-F248 HydrophobicContact CB-CD2 4.05Å; P160-F248 HydrophobicContact CB-CG 4.26Å; P160-F248 HydrophobicContact CG-CB 4.03Å; P160-F248 HydrophobicContact CG-CD1 3.9Å; P160-F248 HydrophobicContact CG-CD2 3.87Å; P160-F248 HydrophobicContact CG-CE1 4.31Å; P160-F248 HydrophobicContact CG-CE2 4.28Å; P160-F248 HydrophobicContact CG-CG 3.67Å; P160-F248 HydrophobicContact CG-CZ 4.5Å
161	N	93.1	Very high	93.9	Very high	19 Å²	19	57.8 Å²	57.8	10%	0.102	29%	0.292	C	S	.	.			trans	-107.2	171.9	169.4	59.5	-22.2	0	0	0	111.1	G163 A164 K250 A251 E253	N161-G163 PolarHBondContact O-N 2.79Å; N161-A164 WeakPolarHBondContact O-CB 3.24Å; N161-A164 PolarHBondContact O-N 2.72Å; N161-K250 WeakPolarHBondContact OD1-CA 3.32Å; N161-K250 WeakPolarHBondContact OD1-CB 3.48Å; N161-A251 PolarHBondContact ND2-O 2.7Å; N161-A251 PolarHBondContact OD1-N 3.24Å; N161-E253 PolarHBondContact ND2-OE1 3.47Å
162	E	87.9	Confident	94.2	Very high	112 Å²	112	54.4 Å²	54.4	52%	0.523	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	129.1	172.2	-175	68.5	-165.9	0	0	110	A164 G189	E162-A164 VanDerWaalsContact C-N 3.33Å; E162-G189 VanDerWaalsContact OE1-CA 3.3Å; E162-G189 WeakPolarHBondContact OE1-CA 3.38Å
163	G	86.9	Confident	94.5	Very high	6 Å²	6	52.5 Å²	52.5	6%	0.062	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	-1.8	-174.7	0	0	0	0	0	115.7	N161 E187 I188	N161-G163 PolarHBondContact O-N 2.79Å; G163-E187 VanDerWaalsContact O-CG 3.3Å; G163-E187 WeakPolarHBondContact O-CG 3.47Å; G163-I188 VanDerWaalsContact CA-O 3.22Å; G163-I188 WeakPolarHBondContact CA-O 3.36Å; G163-I188 PolarHBondContact N-O 3.25Å
164	A	93.9	Very high	94.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.236	C	C	.	.			trans	-63.4	144.6	173.4	0	0	0	0	0	111.3	P160 N161 E162 V166 E187 I188 E249	P160-A164 HydrophobicContact CB-CB 3.97Å; N161-A164 WeakPolarHBondContact O-CB 3.24Å; N161-A164 PolarHBondContact O-N 2.72Å; E162-A164 VanDerWaalsContact C-N 3.33Å; A164-V166 HydrophobicContact CB-CG1 4.46Å; A164-E187 CarbonylContact O-C 3.5Å; A164-E187 WeakPolarHBondContact O-CA 3.41Å; A164-I188 HydrophobicContact CB-CG1 4.36Å; A164-I188 PolarHBondContact O-N 3.49Å; A164-E249 CarbonylContact C-O 3.53Å; A164-E249 VanDerWaalsContact CA-O 3.25Å; A164-E249 WeakPolarHBondContact CA-O 3.3Å; A164-E249 VanDerWaalsContact CB-O 3.31Å; A164-E249 WeakPolarHBondContact CB-O 3.37Å
165	V	95.5	Very high	94.7	Very high	50 Å²	50	52.9 Å²	52.9	30%	0.303	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	121	170.4	-179.2	0	0	0	0	108.1	K185 F186 F248 E249	V165-K185 HydrophobicContact CG1-CG 4.14Å; V165-F186 WeakPolarHBondContact CA-O 3.29Å; V165-F248 CarbonylContact O-C 3.53Å; V165-F248 WeakPolarHBondContact O-CA 3.34Å; V165-E249 PolarHBondContact N-O 2.88Å; V165-E249 PolarHBondContact O-N 2.68Å
166	V	98.2	Very high	94.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	145.4	-176.5	-61.4	0	0	0	0	111.1	P160 A164 V168 K185 F186 I188 I204 L245 F248	P160-V166 HydrophobicContact CB-CG1 3.88Å; P160-V166 HydrophobicContact CG-CG1 4.02Å; A164-V166 HydrophobicContact CB-CG1 4.46Å; V166-V168 HydrophobicContact CB-CG1 4.16Å; V166-V168 HydrophobicContact CG2-CG1 4.17Å; V166-K185 VanDerWaalsContact O-CA 3.26Å; V166-K185 WeakPolarHBondContact O-CA 3.5Å; V166-F186 HydrophobicContact CG2-CD1 3.81Å; V166-F186 HydrophobicContact CG2-CE1 3.58Å; V166-F186 HydrophobicContact CG2-CE2 4.48Å; V166-F186 HydrophobicContact CG2-CG 4.37Å; V166-F186 HydrophobicContact CG2-CZ 3.94Å; V166-F186 WeakPolarHBondContact CG2-O 3.42Å; V166-F186 PolarHBondContact N-O 3.17Å; V166-F186 PolarHBondContact O-N 3.3Å; V166-F186 VanDerWaalsContact O-N 3.09Å; V166-I188 HydrophobicContact CG1-CD1 3.92Å; V166-I188 HydrophobicContact CG1-CG1 3.72Å; V166-I188 HydrophobicContact CG2-CD1 3.84Å; V166-I188 HydrophobicContact CG2-CG1 4.25Å; V166-I204 HydrophobicContact CB-CG2 4.3Å; V166-I204 HydrophobicContact CG1-CG2 3.92Å; V166-I204 HydrophobicContact CG2-CG2 4.35Å; V166-L245 HydrophobicContact CB-CD1 4.3Å; V166-L245 HydrophobicContact CG1-CD1 4.49Å; V166-F248 HydrophobicContact CB-CB 4.43Å; V166-F248 HydrophobicContact CG1-CB 3.84Å
167	E	98.6	Very high	95	Very high	75 Å²	75	51.7 Å²	51.7	35%	0.35	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	112.9	169.2	-67.6	-178.8	-168.9	0	0	108.2	L184 K185 T246 A247	E167-L184 WeakPolarHBondContact CA-O 3.43Å; E167-K185 HydrophobicContact CG-CB 4.14Å; E167-K185 HydrophobicContact CG-CD 3.85Å; E167-K185 HydrophobicContact CG-CG 3.83Å; E167-K185 WeakPolarHBondContact OE1-CD 3.46Å; E167-K185 WeakPolarHBondContact OE1-CE 3.36Å; E167-K185 IonicContact OE1-NZ 2.93Å; E167-K185 PolarHBondContact OE1-NZ 3.41Å; E167-T246 WeakPolarHBondContact O-CB 3.45Å; E167-T246 PolarHBondContact O-N 3.29Å; E167-A247 HydrophobicContact CB-CB 4.36Å; E167-A247 PolarHBondContact N-O 3.04Å; E167-A247 PolarHBondContact O-N 3.28Å
168	V	98.5	Very high	95.5	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.024	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	148.1	-171.7	-60.2	0	0	0	0	111.7	V166 V170 E183 L184 F186 I204 K244 L245	V166-V168 HydrophobicContact CB-CG1 4.16Å; V166-V168 HydrophobicContact CG2-CG1 4.17Å; V168-V170 HydrophobicContact CB-CG1 4.47Å; V168-V170 HydrophobicContact CG2-CG1 3.91Å; V168-E183 CarbonylContact O-C 3.55Å; V168-E183 WeakPolarHBondContact O-CA 3.3Å; V168-L184 HydrophobicContact CG2-CB 4.17Å; V168-L184 PolarHBondContact N-O 3.38Å; V168-L184 PolarHBondContact O-N 2.92Å; V168-F186 HydrophobicContact CG2-CD1 4.45Å; V168-F186 HydrophobicContact CG2-CE1 3.84Å; V168-I204 HydrophobicContact CG1-CD1 4.05Å; V168-I204 HydrophobicContact CG1-CG1 4.2Å; V168-I204 HydrophobicContact CG1-CG2 4.23Å; V168-I204 HydrophobicContact CG2-CD1 4.25Å; V168-K244 CarbonylContact C-O 3.54Å; V168-K244 VanDerWaalsContact CA-O 3.25Å; V168-K244 WeakPolarHBondContact CA-O 3.41Å; V168-L245 HydrophobicContact CG1-CD1 3.67Å
169	F	98.7	Very high	95.7	Very high	44 Å²	44	42.4 Å²	42.4	19%	0.193	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	133.7	156.7	170	-90.8	0	0	0	108.4	Q171 E181 E183 I243 K244	F169-Q171 HydrophobicContact CE1-CB 3.83Å; F169-Q171 HydrophobicContact CZ-CB 4.03Å; F169-E181 HydrophobicContact CE2-CG 3.83Å; F169-E181 HydrophobicContact CZ-CG 3.7Å; F169-E183 HydrophobicContact CB-CG 4.28Å; F169-E183 HydrophobicContact CD2-CG 4.05Å; F169-I243 WeakPolarHBondContact O-CA 3.3Å; F169-K244 HydrophobicContact CB-CB 4.23Å; F169-K244 PolarHBondContact N-O 3.4Å; F169-K244 PolarHBondContact O-N 2.64Å
170	V	98.3	Very high	95.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.5	175.9	-63.2	0	0	0	0	110.1	V168 E181 R182 L184 L196 V200 Y241 I243	V168-V170 HydrophobicContact CB-CG1 4.47Å; V168-V170 HydrophobicContact CG2-CG1 3.91Å; V170-E181 VanDerWaalsContact O-CA 3.31Å; V170-E181 WeakPolarHBondContact O-CA 3.4Å; V170-R182 HydrophobicContact CG2-CG 4.24Å; V170-R182 PolarHBondContact N-O 3.38Å; V170-R182 PolarHBondContact O-N 2.95Å; V170-L184 HydrophobicContact CG2-CD1 3.87Å; V170-L196 HydrophobicContact CG2-CD2 4.26Å; V170-V200 HydrophobicContact CG1-CG1 4.42Å; V170-Y241 HydrophobicContact CB-CD1 4.42Å; V170-I243 HydrophobicContact CG1-CG1 4.37Å; V170-I243 HydrophobicContact CG1-CG2 4.36Å
171	Q	98.6	Very high	95.7	Very high	41 Å²	41	44.4 Å²	44.4	19%	0.192	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	108.3	170.6	-177	-172.8	8	0	0	109.1	F169 V178 D180 E181 Y241 K242	F169-Q171 HydrophobicContact CE1-CB 3.83Å; F169-Q171 HydrophobicContact CZ-CB 4.03Å; Q171-V178 HydrophobicContact CG-CG1 3.94Å; Q171-D180 CarbonylContact C-O 3.55Å; Q171-D180 VanDerWaalsContact CA-O 3.26Å; Q171-D180 WeakPolarHBondContact CA-O 3.46Å; Q171-E181 HydrophobicContact CB-CG 4.35Å; Q171-E181 HydrophobicContact CG-CB 4.33Å; Q171-E181 HydrophobicContact CG-CG 4.21Å; Q171-Y241 WeakPolarHBondContact O-CA 3.47Å; Q171-K242 HydrophobicContact CB-CB 4.28Å; Q171-K242 PolarHBondContact N-O 3.06Å; Q171-K242 PolarHBondContact O-N 2.93Å
172	G	98.2	Very high	96	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129	178.1	0	0	0	0	0	111.5	V178 F179 D180 Q240	G172-V178 WeakPolarHBondContact O-CA 3.06Å; G172-F179 WeakPolarHBondContact O-CD1 3.38Å; G172-F179 PolarHBondContact O-N 2.66Å; G172-D180 PolarHBondContact N-O 3.02Å; G172-D180 PolarHBondContact O-N 2.93Å; G172-Q240 CarbonylContact C-O 3.6Å
173	T	98	Very high	96.5	Very high	26 Å²	26	48.8 Å²	48.8	16%	0.16	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	138.2	178.5	-56.8	0	0	0	0	110.1	R177 Q240	T173-R177 CarbonylContact C-O 3.51Å; T173-R177 VanDerWaalsContact CA-O 3.3Å; T173-R177 WeakPolarHBondContact CA-O 3.41Å; T173-Q240 PolarHBondContact N-O 3.49Å; T173-Q240 PolarHBondContact O-N 2.93Å
174	C	96.9	Very high	96.9	Very high	7 Å²	7	49.5 Å²	49.5	5%	0.047	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	124.8	173.2	-173.6	0	0	0	0	108	G176 R177 F179 L239	C174-G176 PolarHBondContact O-N 3.27Å; C174-G176 VanDerWaalsContact O-N 3.15Å; C174-R177 PolarHBondContact N-O 3.17Å; C174-R177 WeakPolarHBondContact O-CB 3.05Å; C174-R177 PolarHBondContact O-N 2.8Å; C174-F179 HydrophobicContact CB-CD1 3.96Å; C174-F179 HydrophobicContact CB-CE1 4.1Å; C174-L239 HydrophobicContact CB-CD2 4.08Å
175	D	91.9	Very high	97.1	Very high	149 Å²	149	55.6 Å²	55.6	80%	0.797	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	41.2	-177.7	-56.5	-39.7	0	0	0	113.8	R177	D175-R177 PolarHBondContact O-N 2.76Å
176	G	90.6	Very high	97.1	Very high	69 Å²	69	53.6 Å²	53.6	71%	0.711	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	-6	-178.8	0	0	0	0	0	115.5	C174	C174-G176 PolarHBondContact O-N 3.27Å; C174-G176 VanDerWaalsContact O-N 3.15Å
177	R	96.3	Very high	96.7	Very high	113 Å²	113	55.1 Å²	55.1	43%	0.426	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	121.1	174.8	-177.2	178.2	66.7	87.9	-3.9	111	T173 C174 D175 F179 Y231 C232	T173-R177 CarbonylContact C-O 3.51Å; T173-R177 VanDerWaalsContact CA-O 3.3Å; T173-R177 WeakPolarHBondContact CA-O 3.41Å; C174-R177 PolarHBondContact N-O 3.17Å; C174-R177 WeakPolarHBondContact O-CB 3.05Å; C174-R177 PolarHBondContact O-N 2.8Å; D175-R177 PolarHBondContact O-N 2.76Å; R177-F179 PolarHBondContact O-N 3.26Å; R177-Y231 PolarHBondContact NH1-O 2.91Å; R177-Y231 PolarHBondContact NH2-O 2.95Å; R177-C232 PolarHBondContact NH2-O 3.07Å
178	V	98.1	Very high	96.5	Very high	64 Å²	64	51.5 Å²	51.5	39%	0.388	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	125.5	168.7	-176.6	0	0	0	0	108.8	Q171 G172 E181	Q171-V178 HydrophobicContact CG-CG1 3.94Å; G172-V178 WeakPolarHBondContact O-CA 3.06Å; V178-E181 HydrophobicContact CG1-CB 4.18Å
179	F	97.2	Very high	96	Very high	23 Å²	23	52.7 Å²	52.7	10%	0.101	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	-18.1	-179.4	68.2	-101.7	0	0	0	113.6	G172 C174 R177 F223 Y231 I233 L239 Y241	G172-F179 WeakPolarHBondContact O-CD1 3.38Å; G172-F179 PolarHBondContact O-N 2.66Å; C174-F179 HydrophobicContact CB-CD1 3.96Å; C174-F179 HydrophobicContact CB-CE1 4.1Å; R177-F179 PolarHBondContact O-N 3.26Å; F179-F223 HydrophobicContact CE2-CE2 4.09Å; F179-F223 HydrophobicContact CZ-CE2 4.17Å; F179-Y231 AromaticContact CD2-CD1 3.81Å; F179-Y231 HydrophobicContact CD2-CD1 3.81Å; F179-Y231 HydrophobicContact CD2-CD2 4.26Å; F179-Y231 HydrophobicContact CD2-CE1 4.45Å; F179-Y231 AromaticContact CD2-CG 3.7Å; F179-Y231 HydrophobicContact CD2-CG 3.7Å; F179-Y231 HydrophobicContact CE2-CD2 4.38Å; F179-Y231 HydrophobicContact CE2-CG 4.26Å; F179-Y231 WeakPolarHBondContact O-CD1 3.41Å; F179-I233 HydrophobicContact CD1-CD1 3.91Å; F179-I233 HydrophobicContact CD1-CG1 4.41Å; F179-I233 HydrophobicContact CD2-CD1 3.81Å; F179-I233 HydrophobicContact CE1-CD1 3.76Å; F179-I233 HydrophobicContact CE2-CD1 3.68Å; F179-I233 HydrophobicContact CG-CD1 3.93Å; F179-I233 HydrophobicContact CG-CG1 4.47Å; F179-I233 HydrophobicContact CZ-CD1 3.65Å; F179-L239 HydrophobicContact CE1-CD2 4.11Å; F179-L239 HydrophobicContact CZ-CD2 4.39Å; F179-Y241 VanDerWaalsContact CE2-OH 3.3Å; F179-Y241 WeakPolarHBondContact CE2-OH 3.49Å; F179-Y241 AromaticContact CZ-CE2 3.85Å; F179-Y241 HydrophobicContact CZ-CE2 3.85Å; F179-Y241 AromaticContact CZ-CZ 3.68Å; F179-Y241 WeakPolarHBondContact CZ-OH 3.5Å
180	D	97.1	Very high	95.3	Very high	14 Å²	14	52 Å²	52	8%	0.075	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	134.2	175.9	-166.2	11.8	0	0	0	108.6	Q171 G172 R182 Y231	Q171-D180 CarbonylContact C-O 3.55Å; Q171-D180 VanDerWaalsContact CA-O 3.26Å; Q171-D180 WeakPolarHBondContact CA-O 3.46Å; G172-D180 PolarHBondContact N-O 3.02Å; G172-D180 PolarHBondContact O-N 2.93Å; D180-R182 WeakPolarHBondContact OD1-CD 3.42Å; D180-R182 IonicContact OD1-CZ 3.39Å; D180-R182 IonicContact OD1-NE 2.7Å; D180-R182 PolarHBondContact OD1-NE 3.15Å; D180-R182 IonicContact OD1-NH2 3.2Å; D180-R182 IonicContact OD2-CZ 2.67Å; D180-R182 IonicContact OD2-NE 3.5Å; D180-R182 PolarHBondContact OD2-NE 3.28Å; D180-R182 IonicContact OD2-NH2 2.7Å; D180-R182 PolarHBondContact OD2-NH2 3.3Å; D180-Y231 HydrophobicContact CB-CE1 4.27Å
181	E	98.1	Very high	95	Very high	116 Å²	116	52 Å²	52	54%	0.542	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	112.3	177	-174.6	172.5	-144.8	0	0	109.3	F169 V170 Q171 V178	F169-E181 HydrophobicContact CE2-CG 3.83Å; F169-E181 HydrophobicContact CZ-CG 3.7Å; V170-E181 VanDerWaalsContact O-CA 3.31Å; V170-E181 WeakPolarHBondContact O-CA 3.4Å; Q171-E181 HydrophobicContact CB-CG 4.35Å; Q171-E181 HydrophobicContact CG-CB 4.33Å; Q171-E181 HydrophobicContact CG-CG 4.21Å; V178-E181 HydrophobicContact CG1-CB 4.18Å
182	R	97.9	Very high	94.5	Very high	63 Å²	63	55.4 Å²	55.4	24%	0.238	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.5	162.3	-176.7	50.3	-174.4	165.4	146.3	8.1	112.6	V170 D180 L184 F194 Y231	V170-R182 HydrophobicContact CG2-CG 4.24Å; V170-R182 PolarHBondContact N-O 3.38Å; V170-R182 PolarHBondContact O-N 2.95Å; D180-R182 WeakPolarHBondContact OD1-CD 3.42Å; D180-R182 IonicContact OD1-CZ 3.39Å; D180-R182 IonicContact OD1-NE 2.7Å; D180-R182 PolarHBondContact OD1-NE 3.15Å; D180-R182 IonicContact OD1-NH2 3.2Å; D180-R182 IonicContact OD2-CZ 2.67Å; D180-R182 IonicContact OD2-NE 3.5Å; D180-R182 PolarHBondContact OD2-NE 3.28Å; D180-R182 IonicContact OD2-NH2 2.7Å; D180-R182 PolarHBondContact OD2-NH2 3.3Å; R182-L184 HydrophobicContact CG-CD1 4.38Å; R182-L184 HydrophobicContact CG-CD2 4.28Å; R182-L184 HydrophobicContact CG-CG 4.12Å; R182-F194 PolarHBondContact NH1-O 3.02Å; R182-F194 VanDerWaalsContact NH1-O 3.13Å; R182-F194 PolarHBondContact NH2-O 2.88Å; R182-Y231 PolarHBondContact NH2-OH 3.44Å
183	E	98.4	Very high	93.8	Very high	161 Å²	161	58 Å²	58	75%	0.752	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	140	165	-63.9	-178.8	174.4	0	0	110.3	V168 F169	V168-E183 CarbonylContact O-C 3.55Å; V168-E183 WeakPolarHBondContact O-CA 3.3Å; F169-E183 HydrophobicContact CB-CG 4.28Å; F169-E183 HydrophobicContact CD2-CG 4.05Å
184	L	96.7	Very high	93.5	Very high	20 Å²	20	59.7 Å²	59.7	11%	0.105	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	140.2	-177.4	-66	172.3	0	0	0	110	E167 V168 V170 R182 F186 F194 L196	E167-L184 WeakPolarHBondContact CA-O 3.43Å; V168-L184 HydrophobicContact CG2-CB 4.17Å; V168-L184 PolarHBondContact N-O 3.38Å; V168-L184 PolarHBondContact O-N 2.92Å; V170-L184 HydrophobicContact CG2-CD1 3.87Å; R182-L184 HydrophobicContact CG-CD1 4.38Å; R182-L184 HydrophobicContact CG-CD2 4.28Å; R182-L184 HydrophobicContact CG-CG 4.12Å; L184-F186 HydrophobicContact CB-CD1 4.09Å; L184-F194 HydrophobicContact CD1-CB 4.46Å; L184-F194 HydrophobicContact CD2-CD1 3.9Å; L184-L196 HydrophobicContact CD1-CD1 3.89Å; L184-L196 HydrophobicContact CD1-CD2 4.21Å; L184-L196 HydrophobicContact CD1-CG 4.36Å
185	K	97.4	Very high	93.3	Very high	129 Å²	129	59.9 Å²	59.9	56%	0.561	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	114.5	162.6	-176.6	171.6	-173.9	155	0	108.6	V165 V166 E167	V165-K185 HydrophobicContact CG1-CG 4.14Å; V166-K185 VanDerWaalsContact O-CA 3.26Å; V166-K185 WeakPolarHBondContact O-CA 3.5Å; E167-K185 HydrophobicContact CG-CB 4.14Å; E167-K185 HydrophobicContact CG-CD 3.85Å; E167-K185 HydrophobicContact CG-CG 3.83Å; E167-K185 WeakPolarHBondContact OE1-CD 3.46Å; E167-K185 WeakPolarHBondContact OE1-CE 3.36Å; E167-K185 IonicContact OE1-NZ 2.93Å; E167-K185 PolarHBondContact OE1-NZ 3.41Å
186	F	94.6	Very high	93.4	Very high	8 Å²	8	53 Å²	53	4%	0.035	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	169.5	-177.2	75.3	-76.1	0	0	0	112	V165 V166 V168 L184 I188 F194 L196 E201 I204	V165-F186 WeakPolarHBondContact CA-O 3.29Å; V166-F186 HydrophobicContact CG2-CD1 3.81Å; V166-F186 HydrophobicContact CG2-CE1 3.58Å; V166-F186 HydrophobicContact CG2-CE2 4.48Å; V166-F186 HydrophobicContact CG2-CG 4.37Å; V166-F186 HydrophobicContact CG2-CZ 3.94Å; V166-F186 WeakPolarHBondContact CG2-O 3.42Å; V166-F186 PolarHBondContact N-O 3.17Å; V166-F186 PolarHBondContact O-N 3.3Å; V166-F186 VanDerWaalsContact O-N 3.09Å; V168-F186 HydrophobicContact CG2-CD1 4.45Å; V168-F186 HydrophobicContact CG2-CE1 3.84Å; L184-F186 HydrophobicContact CB-CD1 4.09Å; F186-I188 HydrophobicContact CE2-CD1 4.24Å; F186-I188 HydrophobicContact CZ-CD1 4.19Å; F186-F194 HydrophobicContact CB-CD2 3.88Å; F186-F194 HydrophobicContact CB-CE1 4.44Å; F186-F194 HydrophobicContact CB-CE2 3.44Å; F186-F194 VanDerWaalsContact CB-CE2 3.44Å; F186-F194 HydrophobicContact CB-CZ 3.75Å; F186-F194 HydrophobicContact CD2-CD2 4.38Å; F186-F194 HydrophobicContact CG-CD2 4.25Å; F186-F194 HydrophobicContact CG-CE2 4.28Å; F186-L196 HydrophobicContact CE1-CD1 3.95Å; F186-L196 HydrophobicContact CE2-CD1 4.34Å; F186-L196 HydrophobicContact CZ-CD1 3.78Å; F186-E201 HydrophobicContact CE2-CG 4.15Å; F186-E201 HydrophobicContact CZ-CG 4.43Å; F186-I204 HydrophobicContact CE1-CD1 4.04Å; F186-I204 HydrophobicContact CZ-CD1 3.75Å
187	E	91.4	Very high	93.7	Very high	31 Å²	31	50 Å²	50	15%	0.145	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	128.3	176.2	-168.7	177.7	113.6	0	0	109.2	G163 A164 G189 D190 Q288 K291	G163-E187 VanDerWaalsContact O-CG 3.3Å; G163-E187 WeakPolarHBondContact O-CG 3.47Å; A164-E187 CarbonylContact O-C 3.5Å; A164-E187 WeakPolarHBondContact O-CA 3.41Å; E187-G189 PolarHBondContact O-N 3.04Å; E187-D190 WeakPolarHBondContact O-CB 3.06Å; E187-D190 PolarHBondContact O-N 3.45Å; E187-Q288 PolarHBondContact OE1-NE2 2.84Å; E187-K291 VanDerWaalsContact CD-NZ 3.33Å; E187-K291 IonicContact OE1-NZ 2.78Å; E187-K291 PolarHBondContact OE1-NZ 2.94Å; E187-K291 IonicContact OE2-NZ 3.99Å
188	I	94.3	Very high	93.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	128.9	173.3	-62.5	-65	0	0	0	109	G163 A164 V166 F186 I204 M205	G163-I188 VanDerWaalsContact CA-O 3.22Å; G163-I188 WeakPolarHBondContact CA-O 3.36Å; G163-I188 PolarHBondContact N-O 3.25Å; A164-I188 HydrophobicContact CB-CG1 4.36Å; A164-I188 PolarHBondContact O-N 3.49Å; V166-I188 HydrophobicContact CG1-CD1 3.92Å; V166-I188 HydrophobicContact CG1-CG1 3.72Å; V166-I188 HydrophobicContact CG2-CD1 3.84Å; V166-I188 HydrophobicContact CG2-CG1 4.25Å; F186-I188 HydrophobicContact CE2-CD1 4.24Å; F186-I188 HydrophobicContact CZ-CD1 4.19Å; I188-I204 HydrophobicContact CD1-CB 4.1Å; I188-I204 HydrophobicContact CD1-CD1 4.44Å; I188-I204 HydrophobicContact CD1-CG2 3.81Å; I188-M205 HydrophobicContact CG2-CE 4.23Å; I188-M205 HydrophobicContact CG2-CG 3.86Å; I188-M205 HydrophobicContact CG2-SD 3.66Å
189	G	86.5	Confident	93.5	Very high	28 Å²	28	44.6 Å²	44.6	29%	0.289	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	106.7	-9	-168.1	0	0	0	0	0	113.4	E162 E187 E201	E162-G189 VanDerWaalsContact OE1-CA 3.3Å; E162-G189 WeakPolarHBondContact OE1-CA 3.38Å; E187-G189 PolarHBondContact O-N 3.04Å; G189-E201 VanDerWaalsContact CA-OE1 3.31Å; G189-E201 WeakPolarHBondContact CA-OE1 3.26Å; G189-E201 PolarHBondContact N-OE1 3.14Å
190	D	85.8	Confident	93.5	Very high	29 Å²	29	43.5 Å²	43.5	16%	0.155	22%	0.224	C	C	.	.			trans	-117.3	13.3	179	-165.9	25.6	0	0	0	114.8	E187 E192 S193 F194 E201 Q284	E187-D190 WeakPolarHBondContact O-CB 3.06Å; E187-D190 PolarHBondContact O-N 3.45Å; D190-E192 VanDerWaalsContact C-N 3.28Å; D190-E192 PolarHBondContact O-N 3.36Å; D190-S193 PolarHBondContact O-N 3.06Å; D190-S193 WeakPolarHBondContact OD1-CB 3.46Å; D190-S193 PolarHBondContact OD1-OG 3.32Å; D190-F194 WeakPolarHBondContact O-CD2 3.25Å; D190-E201 PolarHBondContact N-OE1 2.87Å; D190-E201 VanDerWaalsContact N-OE1 3.12Å; D190-Q284 VanDerWaalsContact CG-CD 3.47Å; D190-Q284 WeakPolarHBondContact OD1-CG 3.31Å; D190-Q284 PolarHBondContact OD1-NE2 2.87Å; D190-Q284 VanDerWaalsContact OD2-CD 3.26Å; D190-Q284 PolarHBondContact OD2-NE2 3.12Å
191	G	90.5	Very high	93.6	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-56.6	-38.5	-177.1	0	0	0	0	0	114	S193 F194 G195 L196 E201	G191-S193 PolarHBondContact O-N 3.46Å; G191-F194 CarbonylContact O-C 3.57Å; G191-F194 WeakPolarHBondContact O-CA 3.44Å; G191-F194 WeakPolarHBondContact O-CB 3.43Å; G191-F194 PolarHBondContact O-N 2.98Å; G191-G195 PolarHBondContact O-N 2.86Å; G191-L196 CarbonylContact C-O 3.54Å; G191-L196 WeakPolarHBondContact O-CB 3.38Å; G191-L196 PolarHBondContact O-N 2.93Å; G191-E201 VanDerWaalsContact CA-CD 3.44Å; G191-E201 WeakPolarHBondContact CA-OE1 3.45Å; G191-E201 PolarHBondContact N-OE1 3.44Å; G191-E201 PolarHBondContact N-OE2 2.89Å
192	E	88.2	Confident	93.5	Very high	113 Å²	113	42 Å²	42	53%	0.528	22%	0.216	S	C	.	.	H	α-helix	trans	-55.9	-36.6	-179.7	-176.7	178.5	-163.5	0	0	112.7	D190 F194 G195 L196 K283	D190-E192 VanDerWaalsContact C-N 3.28Å; D190-E192 PolarHBondContact O-N 3.36Å; E192-F194 PolarHBondContact O-N 2.88Å; E192-G195 WeakPolarHBondContact O-CA 3.36Å; E192-G195 PolarHBondContact O-N 2.82Å; E192-L196 WeakPolarHBondContact CA-O 3.29Å; E192-L196 PolarHBondContact N-O 2.92Å; E192-K283 VanDerWaalsContact OE2-CD 3.24Å; E192-K283 WeakPolarHBondContact OE2-CD 3.33Å; E192-K283 WeakPolarHBondContact OE2-CE 3.3Å; E192-K283 IonicContact OE2-NZ 2.88Å; E192-K283 PolarHBondContact OE2-NZ 2.91Å
193	S	84.9	Confident	93.5	Very high	56 Å²	56	39 Å²	39	39%	0.392	20%	0.204	S	C	.	.	H	α-helix	trans	-72.6	-19.8	-178.8	-52.1	0	0	0	0	113	D190 G191 G195 Q284	D190-S193 PolarHBondContact O-N 3.06Å; D190-S193 WeakPolarHBondContact OD1-CB 3.46Å; D190-S193 PolarHBondContact OD1-OG 3.32Å; G191-S193 PolarHBondContact O-N 3.46Å; S193-G195 VanDerWaalsContact C-N 3.32Å; S193-Q284 WeakPolarHBondContact OG-CG 3.21Å; S193-Q284 PolarHBondContact OG-NE2 3.06Å
194	F	90.6	Very high	93.5	Very high	60 Å²	60	31.4 Å²	31.4	26%	0.263	17%	0.169	S	C	.	.	H	α-helix	trans	-87.5	-5.2	168.1	-66	-90.3	0	0	0	111.8	R182 L184 F186 D190 G191 E192 L196	R182-F194 PolarHBondContact NH1-O 3.02Å; R182-F194 VanDerWaalsContact NH1-O 3.13Å; R182-F194 PolarHBondContact NH2-O 2.88Å; L184-F194 HydrophobicContact CD1-CB 4.46Å; L184-F194 HydrophobicContact CD2-CD1 3.9Å; F186-F194 HydrophobicContact CB-CD2 3.88Å; F186-F194 HydrophobicContact CB-CE1 4.44Å; F186-F194 HydrophobicContact CB-CE2 3.44Å; F186-F194 VanDerWaalsContact CB-CE2 3.44Å; F186-F194 HydrophobicContact CB-CZ 3.75Å; F186-F194 HydrophobicContact CD2-CD2 4.38Å; F186-F194 HydrophobicContact CG-CD2 4.25Å; F186-F194 HydrophobicContact CG-CE2 4.28Å; D190-F194 WeakPolarHBondContact O-CD2 3.25Å; G191-F194 CarbonylContact O-C 3.57Å; G191-F194 WeakPolarHBondContact O-CA 3.44Å; G191-F194 WeakPolarHBondContact O-CB 3.43Å; G191-F194 PolarHBondContact O-N 2.98Å; E192-F194 PolarHBondContact O-N 2.88Å; F194-L196 HydrophobicContact CB-CD1 4.43Å; F194-L196 HydrophobicContact CB-CG 4.25Å
195	G	92	Very high	93.6	Very high	12 Å²	12	32.8 Å²	32.8	12%	0.124	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	17.7	-175.1	0	0	0	0	0	113.5	G191 E192 S193 F223 Y231	G191-G195 PolarHBondContact O-N 2.86Å; E192-G195 WeakPolarHBondContact O-CA 3.36Å; E192-G195 PolarHBondContact O-N 2.82Å; S193-G195 VanDerWaalsContact C-N 3.32Å; G195-F223 WeakPolarHBondContact O-CZ 3.47Å; G195-Y231 WeakPolarHBondContact O-CE2 3.07Å
196	L	95.2	Very high	93.5	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.021	15%	0.154	C	C	.	.			trans	-88.9	137.5	177.9	-55.7	175.3	0	0	0	110.3	V170 L184 F186 G191 E192 F194 V200	V170-L196 HydrophobicContact CG2-CD2 4.26Å; L184-L196 HydrophobicContact CD1-CD1 3.89Å; L184-L196 HydrophobicContact CD1-CD2 4.21Å; L184-L196 HydrophobicContact CD1-CG 4.36Å; F186-L196 HydrophobicContact CE1-CD1 3.95Å; F186-L196 HydrophobicContact CE2-CD1 4.34Å; F186-L196 HydrophobicContact CZ-CD1 3.78Å; G191-L196 CarbonylContact C-O 3.54Å; G191-L196 WeakPolarHBondContact O-CB 3.38Å; G191-L196 PolarHBondContact O-N 2.93Å; E192-L196 WeakPolarHBondContact CA-O 3.29Å; E192-L196 PolarHBondContact N-O 2.92Å; F194-L196 HydrophobicContact CB-CD1 4.43Å; F194-L196 HydrophobicContact CB-CG 4.25Å; L196-V200 HydrophobicContact CB-CB 4.27Å; L196-V200 HydrophobicContact CB-CG1 4.31Å; L196-V200 HydrophobicContact CD1-CG1 4.03Å; L196-V200 HydrophobicContact CD2-CG1 4.35Å; L196-V200 HydrophobicContact CG-CG1 4.47Å
197	P	95.7	Very high	93.6	Very high	7 Å²	7	27 Å²	27	5%	0.045	15%	0.153	C	C	.	.			trans	-72.9	157.1	171.2	31	-33.5	0	0	0	111	G199 V200 G222 F223 L239 Y241	P197-G199 PolarHBondContact O-N 2.8Å; P197-G199 VanDerWaalsContact O-N 3.08Å; P197-V200 HydrophobicContact CG-CG2 3.85Å; P197-V200 WeakPolarHBondContact O-CB 3.18Å; P197-V200 PolarHBondContact O-N 2.85Å; P197-G222 VanDerWaalsContact CB-C 3.41Å; P197-G222 VanDerWaalsContact CB-O 3.25Å; P197-G222 WeakPolarHBondContact CB-O 3.37Å; P197-F223 HydrophobicContact CB-CD1 4.29Å; P197-F223 HydrophobicContact CB-CE1 4.25Å; P197-F223 HydrophobicContact CG-CE1 4.47Å; P197-F223 HydrophobicContact CG-CE2 4.43Å; P197-F223 HydrophobicContact CG-CZ 4.26Å; P197-L239 HydrophobicContact CG-CD1 4.18Å; P197-Y241 HydrophobicContact CG-CE2 3.99Å
198	S	94.1	Very high	93.9	Very high	63 Å²	63	27.3 Å²	27.3	44%	0.441	15%	0.154	S	C	.	.	H	α-helix	trans	-59.2	-27.2	-175.7	56.6	0	0	0	0	114	V200 E201 K202	S198-V200 VanDerWaalsContact C-N 3.25Å; S198-V200 PolarHBondContact O-N 2.89Å; S198-E201 PolarHBondContact O-N 2.85Å; S198-K202 PolarHBondContact O-N 2.77Å; S198-K202 VanDerWaalsContact O-N 3.14Å
199	G	97.1	Very high	94	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.8	-30	175.2	0	0	0	0	0	113.4	P197 A203 M217 Y221	P197-G199 PolarHBondContact O-N 2.8Å; P197-G199 VanDerWaalsContact O-N 3.08Å; G199-A203 VanDerWaalsContact O-CB 3.26Å; G199-A203 WeakPolarHBondContact O-CB 3.36Å; G199-A203 PolarHBondContact O-N 3.28Å; G199-M217 VanDerWaalsContact C-CE 3.47Å; G199-M217 VanDerWaalsContact C-SD 3.56Å; G199-M217 WeakPolarHBondContact O-CE 3.49Å; G199-Y221 WeakPolarHBondContact CA-O 3.45Å; G199-Y221 PolarHBondContact N-O 3.3Å
200	V	98	Very high	94.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-67.4	-42.3	176.6	171.3	0	0	0	0	110.9	V170 L196 P197 S198 A203 I204 M217 Y241 I243	V170-V200 HydrophobicContact CG1-CG1 4.42Å; L196-V200 HydrophobicContact CB-CB 4.27Å; L196-V200 HydrophobicContact CB-CG1 4.31Å; L196-V200 HydrophobicContact CD1-CG1 4.03Å; L196-V200 HydrophobicContact CD2-CG1 4.35Å; L196-V200 HydrophobicContact CG-CG1 4.47Å; P197-V200 HydrophobicContact CG-CG2 3.85Å; P197-V200 WeakPolarHBondContact O-CB 3.18Å; P197-V200 PolarHBondContact O-N 2.85Å; S198-V200 VanDerWaalsContact C-N 3.25Å; S198-V200 PolarHBondContact O-N 2.89Å; V200-A203 WeakPolarHBondContact O-CB 3.41Å; V200-A203 PolarHBondContact O-N 2.9Å; V200-I204 HydrophobicContact CG1-CD1 3.89Å; V200-I204 WeakPolarHBondContact O-CD1 3.47Å; V200-I204 VanDerWaalsContact O-CG1 3.28Å; V200-I204 WeakPolarHBondContact O-CG1 3.35Å; V200-I204 PolarHBondContact O-N 2.98Å; V200-M217 HydrophobicContact CB-CE 4.46Å; V200-M217 HydrophobicContact CG2-CE 3.89Å; V200-M217 HydrophobicContact CG2-SD 4.08Å; V200-Y241 HydrophobicContact CG2-CD1 3.83Å; V200-Y241 HydrophobicContact CG2-CD2 3.71Å; V200-Y241 HydrophobicContact CG2-CE1 3.83Å; V200-Y241 HydrophobicContact CG2-CE2 3.71Å; V200-Y241 HydrophobicContact CG2-CG 3.76Å; V200-I243 HydrophobicContact CG1-CD1 4.06Å
201	E	97.6	Very high	95.1	Very high	23 Å²	23	30.2 Å²	30.2	11%	0.107	17%	0.168	C	C	.	.	H	α-helix	trans	-67.5	-42.3	177.5	-60.7	-175.5	94.9	0	0	111.4	F186 G189 D190 G191 S198 A203 I204 M205	F186-E201 HydrophobicContact CE2-CG 4.15Å; F186-E201 HydrophobicContact CZ-CG 4.43Å; G189-E201 VanDerWaalsContact CA-OE1 3.31Å; G189-E201 WeakPolarHBondContact CA-OE1 3.26Å; G189-E201 PolarHBondContact N-OE1 3.14Å; D190-E201 PolarHBondContact N-OE1 2.87Å; D190-E201 VanDerWaalsContact N-OE1 3.12Å; G191-E201 VanDerWaalsContact CA-CD 3.44Å; G191-E201 WeakPolarHBondContact CA-OE1 3.45Å; G191-E201 PolarHBondContact N-OE1 3.44Å; G191-E201 PolarHBondContact N-OE2 2.89Å; S198-E201 PolarHBondContact O-N 2.85Å; E201-A203 VanDerWaalsContact C-N 3.31Å; E201-A203 PolarHBondContact O-N 3.49Å; E201-I204 PolarHBondContact O-N 3.48Å; E201-M205 WeakPolarHBondContact O-CG 2.81Å; E201-M205 PolarHBondContact O-N 2.81Å
202	K	97.3	Very high	95.4	Very high	76 Å²	76	31.7 Å²	31.7	33%	0.33	18%	0.175	S	C	.	.	H	α-helix	trans	-59.3	-41.4	172.1	-76.6	-174	171.7	-75.3	0	112.2	E140 I146 S198 M205 A206 Y221	E140-K202 IonicContact OE1-NZ 2.71Å; E140-K202 PolarHBondContact OE1-NZ 3.18Å; E140-K202 VanDerWaalsContact OE1-NZ 3.14Å; I146-K202 HydrophobicContact CD1-CB 3.8Å; I146-K202 HydrophobicContact CD1-CD 4.17Å; S198-K202 PolarHBondContact O-N 2.77Å; S198-K202 VanDerWaalsContact O-N 3.14Å; K202-M205 HydrophobicContact CG-CE 4.27Å; K202-M205 PolarHBondContact O-N 3.49Å; K202-A206 PolarHBondContact O-N 3.4Å; K202-Y221 HydrophobicContact CD-CD1 4.07Å; K202-Y221 HydrophobicContact CD-CE1 3.98Å
203	A	98	Very high	95.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.9	-48.7	175.1	0	0	0	0	0	111.8	I138 G199 V200 E201 M205 A206 M207 F215 M217 I243	I138-A203 HydrophobicContact CD1-CB 4.32Å; G199-A203 VanDerWaalsContact O-CB 3.26Å; G199-A203 WeakPolarHBondContact O-CB 3.36Å; G199-A203 PolarHBondContact O-N 3.28Å; V200-A203 WeakPolarHBondContact O-CB 3.41Å; V200-A203 PolarHBondContact O-N 2.9Å; E201-A203 VanDerWaalsContact C-N 3.31Å; E201-A203 PolarHBondContact O-N 3.49Å; A203-M205 VanDerWaalsContact C-N 3.31Å; A203-M205 PolarHBondContact O-N 3.01Å; A203-A206 WeakPolarHBondContact O-CB 3.42Å; A203-A206 PolarHBondContact O-N 3.3Å; A203-M207 WeakPolarHBondContact O-CG 3.32Å; A203-M207 PolarHBondContact O-N 3.5Å; A203-F215 HydrophobicContact CB-CB 4.48Å; A203-F215 HydrophobicContact CB-CD1 3.51Å; A203-F215 HydrophobicContact CB-CD2 3.97Å; A203-F215 HydrophobicContact CB-CE1 3.52Å; A203-F215 HydrophobicContact CB-CE2 3.99Å; A203-F215 HydrophobicContact CB-CG 3.72Å; A203-F215 HydrophobicContact CB-CZ 3.78Å; A203-M217 HydrophobicContact CB-CE 3.85Å; A203-I243 HydrophobicContact CB-CD1 3.87Å
204	I	98.3	Very high	96.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.3	-40.4	179.3	-66.2	161	0	0	0	111.5	P160 V166 V168 F186 I188 V200 E201 A206 M207 I243 L245	P160-I204 HydrophobicContact CG-CG2 4.12Å; V166-I204 HydrophobicContact CB-CG2 4.3Å; V166-I204 HydrophobicContact CG1-CG2 3.92Å; V166-I204 HydrophobicContact CG2-CG2 4.35Å; V168-I204 HydrophobicContact CG1-CD1 4.05Å; V168-I204 HydrophobicContact CG1-CG1 4.2Å; V168-I204 HydrophobicContact CG1-CG2 4.23Å; V168-I204 HydrophobicContact CG2-CD1 4.25Å; F186-I204 HydrophobicContact CE1-CD1 4.04Å; F186-I204 HydrophobicContact CZ-CD1 3.75Å; I188-I204 HydrophobicContact CD1-CB 4.1Å; I188-I204 HydrophobicContact CD1-CD1 4.44Å; I188-I204 HydrophobicContact CD1-CG2 3.81Å; V200-I204 HydrophobicContact CG1-CD1 3.89Å; V200-I204 WeakPolarHBondContact O-CD1 3.47Å; V200-I204 VanDerWaalsContact O-CG1 3.28Å; V200-I204 WeakPolarHBondContact O-CG1 3.35Å; V200-I204 PolarHBondContact O-N 2.98Å; E201-I204 PolarHBondContact O-N 3.48Å; I204-A206 PolarHBondContact O-N 2.88Å; I204-M207 WeakPolarHBondContact O-CB 3.47Å; I204-M207 PolarHBondContact O-N 3.31Å; I204-M207 VanDerWaalsContact O-N 3.15Å; I204-I243 HydrophobicContact CG1-CD1 4.41Å; I204-I243 HydrophobicContact CG1-CG2 4.03Å; I204-L245 HydrophobicContact CG2-CD1 4.24Å
205	M	97.5	Very high	96.8	Very high	49 Å²	49	22.7 Å²	22.7	24%	0.241	13%	0.128	C	C	.	.	H	α-helix	trans	-65.9	-17.3	176	-71	-171.7	-71.7	0	0	114	K159 I188 E201 K202 A203	K159-M205 WeakPolarHBondContact CB-O 3.14Å; I188-M205 HydrophobicContact CG2-CE 4.23Å; I188-M205 HydrophobicContact CG2-CG 3.86Å; I188-M205 HydrophobicContact CG2-SD 3.66Å; E201-M205 WeakPolarHBondContact O-CG 2.81Å; E201-M205 PolarHBondContact O-N 2.81Å; K202-M205 HydrophobicContact CG-CE 4.27Å; K202-M205 PolarHBondContact O-N 3.49Å; A203-M205 VanDerWaalsContact C-N 3.31Å; A203-M205 PolarHBondContact O-N 3.01Å
206	A	96.4	Very high	97	Very high	15 Å²	15	24.8 Å²	24.8	12%	0.124	14%	0.136	C	C	.	.	H	α-helix	trans	-86.9	-13.1	175.7	0	0	0	0	0	113.5	I138 R148 K159 K202 A203 I204	I138-A206 HydrophobicContact CB-CB 4.23Å; I138-A206 HydrophobicContact CD1-CB 3.72Å; I138-A206 HydrophobicContact CG2-CB 4.18Å; R148-A206 PolarHBondContact NH1-O 2.91Å; K159-A206 WeakPolarHBondContact CE-O 3.38Å; K159-A206 PolarHBondContact NZ-O 3.3Å; K202-A206 PolarHBondContact O-N 3.4Å; A203-A206 WeakPolarHBondContact O-CB 3.42Å; A203-A206 PolarHBondContact O-N 3.3Å; I204-A206 PolarHBondContact O-N 2.88Å
207	M	97.2	Very high	97.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-89.7	152.1	-171.7	-65.6	174.3	76.9	0	0	113.7	P160 A203 I204 E211 A213 F215 I243 L245	P160-M207 WeakPolarHBondContact CD-O 3.39Å; A203-M207 WeakPolarHBondContact O-CG 3.32Å; A203-M207 PolarHBondContact O-N 3.5Å; I204-M207 WeakPolarHBondContact O-CB 3.47Å; I204-M207 PolarHBondContact O-N 3.31Å; I204-M207 VanDerWaalsContact O-N 3.15Å; M207-E211 WeakPolarHBondContact CA-OE2 3.4Å; M207-E211 HydrophobicContact CB-CB 4.33Å; M207-E211 HydrophobicContact CE-CB 3.94Å; M207-E211 HydrophobicContact CE-CG 4Å; M207-E211 WeakPolarHBondContact CE-O 3.38Å; M207-A213 HydrophobicContact CE-CB 4.47Å; M207-F215 HydrophobicContact CE-CE2 4.4Å; M207-F215 HydrophobicContact CG-CE2 4.24Å; M207-F215 HydrophobicContact CG-CZ 3.75Å; M207-F215 HydrophobicContact SD-CE2 3.7Å; M207-F215 HydrophobicContact SD-CZ 3.83Å; M207-I243 HydrophobicContact CE-CB 4.3Å; M207-I243 HydrophobicContact CE-CG2 4.1Å; M207-I243 WeakPolarHBondContact CE-O 3.25Å; M207-I243 HydrophobicContact SD-CB 4.06Å; M207-I243 HydrophobicContact SD-CG2 3.69Å; M207-L245 HydrophobicContact CB-CB 4.29Å; M207-L245 HydrophobicContact CB-CD2 3.81Å; M207-L245 HydrophobicContact CE-CB 3.91Å; M207-L245 HydrophobicContact SD-CB 4.34Å
208	E	96.3	Very high	97.2	Very high	39 Å²	39	29 Å²	29	18%	0.182	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-91.4	158	167.8	-69.8	163.9	-170.2	0	0	111.1	G210 E211	E208-G210 PolarHBondContact O-N 2.92Å; E208-E211 HydrophobicContact CB-CB 4.5Å; E208-E211 PolarHBondContact N-OE2 3.04Å; E208-E211 WeakPolarHBondContact O-CB 3.49Å; E208-E211 PolarHBondContact O-N 3.45Å
209	Q	97.4	Very high	97.3	Very high	84 Å²	84	27.7 Å²	27.7	39%	0.393	14%	0.144	S	C	.	.	B	Isolated β-bridge	trans	-62.6	135.1	177.5	-175.9	173.3	-23.5	0	0	110.6	G154 E155 E211 T246 F248	G154-Q209 CarbonylContact C-O 3.59Å; G154-Q209 VanDerWaalsContact CA-O 3.25Å; G154-Q209 WeakPolarHBondContact CA-O 3.4Å; E155-Q209 PolarHBondContact N-O 2.88Å; Q209-E211 PolarHBondContact O-N 2.75Å; Q209-T246 WeakPolarHBondContact CG-O 3.36Å; Q209-F248 HydrophobicContact CB-CD1 4.27Å; Q209-F248 HydrophobicContact CB-CE1 3.95Å
210	G	97	Very high	97.2	Very high	31 Å²	31	33.4 Å²	33.4	32%	0.32	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	-7.9	-175	0	0	0	0	0	114.4	E208 L245	E208-G210 PolarHBondContact O-N 2.92Å; G210-L245 VanDerWaalsContact CA-O 3.25Å; G210-L245 WeakPolarHBondContact CA-O 3.07Å; G210-L245 PolarHBondContact N-O 2.92Å
211	E	97.3	Very high	97.1	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.009	17%	0.172	C	C	.	.			trans	-64.5	138.4	178.3	-172.3	179	142.6	0	0	110.8	R148 I150 T152 M207 E208 Q209 A213 K244 L245	R148-E211 WeakPolarHBondContact CD-OE1 3.42Å; R148-E211 IonicContact CZ-OE1 3.81Å; R148-E211 IonicContact NE-OE1 3.12Å; R148-E211 IonicContact NH1-OE1 3.76Å; R148-E211 PolarHBondContact NH1-OE1 3.43Å; R148-E211 IonicContact NH1-OE2 2.67Å; R148-E211 PolarHBondContact NH1-OE2 2.9Å; I150-E211 HydrophobicContact CG2-CG 4.48Å; T152-E211 WeakPolarHBondContact O-CA 3.38Å; M207-E211 WeakPolarHBondContact CA-OE2 3.4Å; M207-E211 HydrophobicContact CB-CB 4.33Å; M207-E211 HydrophobicContact CE-CB 3.94Å; M207-E211 HydrophobicContact CE-CG 4Å; M207-E211 WeakPolarHBondContact CE-O 3.38Å; E208-E211 HydrophobicContact CB-CB 4.5Å; E208-E211 PolarHBondContact N-OE2 3.04Å; E208-E211 WeakPolarHBondContact O-CB 3.49Å; E208-E211 PolarHBondContact O-N 3.45Å; Q209-E211 PolarHBondContact O-N 2.75Å; E211-A213 HydrophobicContact CG-CB 4.48Å; E211-K244 WeakPolarHBondContact O-CA 3.41Å; E211-L245 PolarHBondContact O-N 2.83Å
212	E	98	Very high	97	Very high	32 Å²	32	33.7 Å²	33.7	15%	0.15	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.1	167.8	-173.2	175.2	-161.8	0	0	107.9	I151 T152 K242 I243 K244	I151-E212 WeakPolarHBondContact CA-O 3.18Å; I151-E212 HydrophobicContact CB-CB 4.47Å; I151-E212 HydrophobicContact CB-CG 4.35Å; I151-E212 VanDerWaalsContact CB-O 3.29Å; I151-E212 WeakPolarHBondContact CB-O 3.1Å; I151-E212 HydrophobicContact CD1-CG 4.31Å; I151-E212 PolarHBondContact N-O 3.25Å; T152-E212 PolarHBondContact N-O 3.33Å; T152-E212 PolarHBondContact O-N 3.4Å; E212-K242 WeakPolarHBondContact OE1-CE 3.25Å; E212-K242 IonicContact OE1-NZ 3.05Å; E212-K242 PolarHBondContact OE1-NZ 3.46Å; E212-I243 CarbonylContact C-O 3.53Å; E212-I243 WeakPolarHBondContact CA-O 3.36Å; E212-K244 HydrophobicContact CB-CB 4.28Å; E212-K244 HydrophobicContact CB-CG 4.24Å; E212-K244 HydrophobicContact CG-CB 4.09Å; E212-K244 HydrophobicContact CG-CG 4.47Å
213	A	97.1	Very high	96.9	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	153.5	-175	0	0	0	0	0	111.8	R148 R149 M207 E211 F215 K242 I243	R148-A213 HydrophobicContact CG-CB 4.13Å; R149-A213 CarbonylContact O-C 3.38Å; R149-A213 WeakPolarHBondContact O-CA 3.04Å; R149-A213 WeakPolarHBondContact O-CB 3.44Å; M207-A213 HydrophobicContact CE-CB 4.47Å; E211-A213 HydrophobicContact CG-CB 4.48Å; A213-F215 HydrophobicContact CB-CD2 4.34Å; A213-F215 HydrophobicContact CB-CE2 3.63Å; A213-F215 HydrophobicContact CB-CZ 3.96Å; A213-K242 WeakPolarHBondContact O-CA 3.28Å; A213-I243 PolarHBondContact N-O 2.81Å; A213-I243 PolarHBondContact O-N 2.95Å
214	L	97.1	Very high	96.6	Very high	39 Å²	39	33.2 Å²	33.2	20%	0.204	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	131.8	169	-176.4	69.8	0	0	0	109	R148 R149 I151 Q240 Y241 K242	R148-L214 CarbonylContact C-O 3.56Å; R149-L214 HydrophobicContact CB-CB 4.47Å; R149-L214 PolarHBondContact N-O 3.12Å; R149-L214 PolarHBondContact O-N 3.13Å; I151-L214 HydrophobicContact CD1-CB 4.38Å; L214-Q240 HydrophobicContact CD1-CB 4.31Å; L214-Y241 CarbonylContact C-O 3.53Å; L214-Y241 WeakPolarHBondContact CA-O 3.1Å; L214-K242 HydrophobicContact CD1-CB 4.37Å
215	F	97.8	Very high	96.2	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.4	177.6	-66.6	-89.5	0	0	0	110.1	I138 I146 I147 R148 A203 M207 A213 M217 Q240 Y241 I243	I138-F215 HydrophobicContact CD1-CD1 4.2Å; I138-F215 HydrophobicContact CD1-CE1 3.88Å; I146-F215 HydrophobicContact CG2-CD1 3.95Å; I147-F215 CarbonylContact O-C 3.58Å; I147-F215 VanDerWaalsContact O-CA 3.3Å; I147-F215 WeakPolarHBondContact O-CA 3.25Å; R148-F215 HydrophobicContact CB-CD1 3.88Å; R148-F215 HydrophobicContact CB-CE1 3.59Å; R148-F215 HydrophobicContact CB-CZ 4.4Å; R148-F215 HydrophobicContact CG-CD1 4.16Å; R148-F215 HydrophobicContact CG-CE1 3.54Å; R148-F215 HydrophobicContact CG-CZ 3.84Å; A203-F215 HydrophobicContact CB-CB 4.48Å; A203-F215 HydrophobicContact CB-CD1 3.51Å; A203-F215 HydrophobicContact CB-CD2 3.97Å; A203-F215 HydrophobicContact CB-CE1 3.52Å; A203-F215 HydrophobicContact CB-CE2 3.99Å; A203-F215 HydrophobicContact CB-CG 3.72Å; A203-F215 HydrophobicContact CB-CZ 3.78Å; M207-F215 HydrophobicContact CE-CE2 4.4Å; M207-F215 HydrophobicContact CG-CE2 4.24Å; M207-F215 HydrophobicContact CG-CZ 3.75Å; M207-F215 HydrophobicContact SD-CE2 3.7Å; M207-F215 HydrophobicContact SD-CZ 3.83Å; A213-F215 HydrophobicContact CB-CD2 4.34Å; A213-F215 HydrophobicContact CB-CE2 3.63Å; A213-F215 HydrophobicContact CB-CZ 3.96Å; F215-M217 HydrophobicContact CB-CE 3.66Å; F215-M217 HydrophobicContact CG-CE 4.32Å; F215-Q240 CarbonylContact O-C 3.58Å; F215-Q240 VanDerWaalsContact O-CA 3.29Å; F215-Q240 WeakPolarHBondContact O-CA 3.38Å; F215-Y241 PolarHBondContact N-O 2.82Å; F215-Y241 PolarHBondContact O-N 3.35Å; F215-I243 HydrophobicContact CD2-CB 4.24Å; F215-I243 HydrophobicContact CD2-CD1 3.76Å; F215-I243 HydrophobicContact CD2-CG1 4Å; F215-I243 HydrophobicContact CE2-CB 4.11Å; F215-I243 HydrophobicContact CE2-CD1 4.06Å; F215-I243 HydrophobicContact CE2-CG1 4.32Å
216	I	97	Very high	95.8	Very high	56 Å²	56	41 Å²	41	29%	0.287	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	117	173.4	-56.3	164.5	0	0	0	107.2	I146 I147 T238 L239 Q240	I146-I216 WeakPolarHBondContact CA-O 3.36Å; I147-I216 HydrophobicContact CB-CB 4.34Å; I147-I216 PolarHBondContact N-O 3.08Å; I147-I216 PolarHBondContact O-N 2.85Å; I216-T238 HydrophobicContact CG2-CG2 3.77Å; I216-L239 WeakPolarHBondContact CA-O 3.24Å; I216-Q240 HydrophobicContact CG1-CG 4.35Å
217	M	97.4	Very high	95.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	118.3	-172.8	-61.4	176.8	-170.8	0	0	110.5	G145 I146 G199 V200 A203 F215 T238 L239 Y241	G145-M217 WeakPolarHBondContact O-CA 3.46Å; I146-M217 HydrophobicContact CG1-CG 4.45Å; I146-M217 HydrophobicContact CG2-CG 4.12Å; G199-M217 VanDerWaalsContact C-CE 3.47Å; G199-M217 VanDerWaalsContact C-SD 3.56Å; G199-M217 WeakPolarHBondContact O-CE 3.49Å; V200-M217 HydrophobicContact CB-CE 4.46Å; V200-M217 HydrophobicContact CG2-CE 3.89Å; V200-M217 HydrophobicContact CG2-SD 4.08Å; A203-M217 HydrophobicContact CB-CE 3.85Å; F215-M217 HydrophobicContact CB-CE 3.66Å; F215-M217 HydrophobicContact CG-CE 4.32Å; M217-T238 WeakPolarHBondContact O-CA 3.42Å; M217-T238 WeakPolarHBondContact O-CG2 3.37Å; M217-L239 PolarHBondContact N-O 3.15Å; M217-L239 PolarHBondContact O-N 2.99Å; M217-Y241 HydrophobicContact CE-CD2 4.29Å; M217-Y241 HydrophobicContact CE-CG 4.44Å; M217-Y241 HydrophobicContact SD-CD2 4.04Å
218	K	96.8	Very high	95.4	Very high	99 Å²	99	41.6 Å²	41.6	43%	0.43	24%	0.238	S	C	.	.			trans	-66.2	162.5	170.5	-72.5	-172.8	-173.4	159.4	0	110.8	D143 G144 G145 K220 Y221 G222	D143-K218 PolarHBondContact O-NZ 2.73Å; G144-K218 WeakPolarHBondContact O-CD 3.45Å; G144-K218 WeakPolarHBondContact O-CE 3.26Å; G144-K218 PolarHBondContact O-NZ 3.34Å; G145-K218 PolarHBondContact O-N 2.95Å; K218-K220 VanDerWaalsContact C-N 3.26Å; K218-K220 PolarHBondContact O-N 3.43Å; K218-Y221 PolarHBondContact O-N 3.4Å; K218-G222 PolarHBondContact O-N 2.9Å
219	P	96.3	Very high	95.1	Very high	37 Å²	37	48.7 Å²	48.7	24%	0.24	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-36.2	-175.1	-31.6	38.5	0	0	0	115.5	Y221 G222 G224 G236	P219-Y221 PolarHBondContact O-N 3.14Å; P219-Y221 VanDerWaalsContact O-N 3.13Å; P219-G222 PolarHBondContact O-N 2.85Å; P219-G222 VanDerWaalsContact O-N 3.12Å; P219-G224 WeakPolarHBondContact O-CA 3.31Å; P219-G224 PolarHBondContact O-N 3.28Å; P219-G236 WeakPolarHBondContact CG-O 3.26Å
220	K	95.1	Very high	94.8	Very high	120 Å²	120	52.6 Å²	52.6	52%	0.522	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-32.9	175.2	178.2	-179.9	170.5	-168.9	0	112.8	E141 D143 K218	E141-K220 IonicContact OE2-NZ 3.59Å; E141-K220 PolarHBondContact OE2-NZ 2.77Å; D143-K220 IonicContact OD2-NZ 2.81Å; D143-K220 PolarHBondContact OD2-NZ 3.37Å; K218-K220 VanDerWaalsContact C-N 3.26Å; K218-K220 PolarHBondContact O-N 3.43Å
221	Y	96.3	Very high	94.6	Very high	19 Å²	19	52.1 Å²	52.1	8%	0.075	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-7.1	-178.5	-61	-81.6	0	0	0	113.1	T139 D143 I146 G199 K202 K218 P219	T139-Y221 HydrophobicContact CG2-CE1 4.36Å; T139-Y221 HydrophobicContact CG2-CE2 3.91Å; D143-Y221 PolarHBondContact OD2-OH 2.61Å; I146-Y221 HydrophobicContact CD1-CD1 3.6Å; I146-Y221 HydrophobicContact CD1-CE1 4.2Å; I146-Y221 HydrophobicContact CD1-CG 3.78Å; I146-Y221 HydrophobicContact CG1-CD1 3.9Å; I146-Y221 HydrophobicContact CG1-CD2 3.91Å; I146-Y221 HydrophobicContact CG1-CG 3.54Å; G199-Y221 WeakPolarHBondContact CA-O 3.45Å; G199-Y221 PolarHBondContact N-O 3.3Å; K202-Y221 HydrophobicContact CD-CD1 4.07Å; K202-Y221 HydrophobicContact CD-CE1 3.98Å; K218-Y221 PolarHBondContact O-N 3.4Å; P219-Y221 PolarHBondContact O-N 3.14Å; P219-Y221 VanDerWaalsContact O-N 3.13Å
222	G	95.7	Very high	94.5	Very high	9 Å²	9	56.6 Å²	56.6	9%	0.093	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-139.6	171.8	0	0	0	0	0	112.1	P197 K218 P219 G224	P197-G222 VanDerWaalsContact CB-C 3.41Å; P197-G222 VanDerWaalsContact CB-O 3.25Å; P197-G222 WeakPolarHBondContact CB-O 3.37Å; K218-G222 PolarHBondContact O-N 2.9Å; P219-G222 PolarHBondContact O-N 2.85Å; P219-G222 VanDerWaalsContact O-N 3.12Å; G222-G224 PolarHBondContact O-N 2.95Å
223	F	94.8	Very high	94.4	Very high	42 Å²	42	55.5 Å²	55.5	18%	0.184	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	11.2	176.6	-65.5	-69.9	0	0	0	114	F179 G195 P197 G227 Y231 I233 L239	F179-F223 HydrophobicContact CE2-CE2 4.09Å; F179-F223 HydrophobicContact CZ-CE2 4.17Å; G195-F223 WeakPolarHBondContact O-CZ 3.47Å; P197-F223 HydrophobicContact CB-CD1 4.29Å; P197-F223 HydrophobicContact CB-CE1 4.25Å; P197-F223 HydrophobicContact CG-CE1 4.47Å; P197-F223 HydrophobicContact CG-CE2 4.43Å; P197-F223 HydrophobicContact CG-CZ 4.26Å; F223-G227 WeakPolarHBondContact CB-O 3.3Å; F223-G227 PolarHBondContact O-N 3.5Å; F223-Y231 HydrophobicContact CE1-CD2 4.41Å; F223-Y231 HydrophobicContact CE1-CE2 4.49Å; F223-Y231 HydrophobicContact CE2-CD2 4.2Å; F223-Y231 AromaticContact CZ-CD2 3.73Å; F223-Y231 HydrophobicContact CZ-CD2 3.73Å; F223-Y231 AromaticContact CZ-CE2 3.94Å; F223-Y231 HydrophobicContact CZ-CE2 3.94Å; F223-I233 HydrophobicContact CD2-CB 4.43Å; F223-I233 HydrophobicContact CD2-CD1 3.44Å; F223-I233 VanDerWaalsContact CD2-CD1 3.44Å; F223-I233 HydrophobicContact CD2-CG2 4.17Å; F223-I233 HydrophobicContact CE2-CD1 3.24Å; F223-I233 HydrophobicContact CZ-CD1 4.34Å; F223-L239 HydrophobicContact CD2-CD1 3.53Å; F223-L239 HydrophobicContact CE2-CD1 3.75Å; F223-L239 HydrophobicContact CG-CD1 4.47Å
224	G	92.1	Very high	94.2	Very high	24 Å²	24	59 Å²	59	25%	0.247	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	-155.8	173	0	0	0	0	0	115.2	P219 G222 D226 G236	P219-G224 WeakPolarHBondContact O-CA 3.31Å; P219-G224 PolarHBondContact O-N 3.28Å; G222-G224 PolarHBondContact O-N 2.95Å; G224-D226 VanDerWaalsContact C-N 3.3Å; G224-G236 PolarHBondContact O-N 2.96Å
225	G	89.4	Confident	94.1	Very high	59 Å²	59	61.4 Å²	61.4	61%	0.608	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-21.7	-179.9	0	0	0	0	0	113.8	C235	G225-C235 WeakPolarHBondContact O-CB 3.33Å; G225-C235 PolarHBondContact O-SG 3.41Å
226	D	89.1	Confident	93.9	Very high	153 Å²	153	63.3 Å²	63.3	82%	0.818	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-21.1	-178.4	-58.6	-44.3	0	0	0	112.3	G224	G224-D226 VanDerWaalsContact C-N 3.3Å
227	G	92	Very high	93.9	Very high	12 Å²	12	61.3 Å²	61.3	12%	0.124	35%	0.35	C	S	.	.			trans	68.4	-156.7	-173.6	0	0	0	0	0	111.6	F223 I233	F223-G227 WeakPolarHBondContact CB-O 3.3Å; F223-G227 PolarHBondContact O-N 3.5Å; G227-I233 WeakPolarHBondContact CA-O 3.47Å
228	S	92.7	Very high	93.8	Very high	16 Å²	16	64.5 Å²	64.5	11%	0.112	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-138.2	109	176.3	-173.8	0	0	0	0	111.2	R230 Y231 C232 I233	S228-R230 VanDerWaalsContact C-N 3.31Å; S228-R230 PolarHBondContact O-N 2.99Å; S228-Y231 PolarHBondContact O-N 3.36Å; S228-Y231 VanDerWaalsContact OG-CD2 3.31Å; S228-Y231 WeakPolarHBondContact OG-CD2 3.34Å; S228-C232 WeakPolarHBondContact O-CA 3.46Å; S228-C232 PolarHBondContact O-N 3.32Å; S228-I233 PolarHBondContact N-O 3.4Å; S228-I233 PolarHBondContact O-N 3.23Å
229	E	91.6	Very high	93.9	Very high	188 Å²	188	59.8 Å²	59.8	88%	0.879	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-41.4	175	-171.2	176.2	-168.5	0	0	111.2	Y231 C232	E229-Y231 PolarHBondContact O-N 2.91Å; E229-C232 PolarHBondContact O-N 3.15Å; E229-C232 VanDerWaalsContact O-N 3.15Å
230	R	90.7	Very high	94	Very high	167 Å²	167	62.2 Å²	62.2	63%	0.63	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-39.5	178.5	179.6	-179.3	-178.8	-175	-0.7	112.9	S228	S228-R230 VanDerWaalsContact C-N 3.31Å; S228-R230 PolarHBondContact O-N 2.99Å
231	Y	93.3	Very high	94.1	Very high	20 Å²	20	56.5 Å²	56.5	8%	0.078	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	3.5	-175.9	-62.7	-60.9	0	0	0	113.1	R177 F179 D180 R182 G195 F223 S228 E229 I233	R177-Y231 PolarHBondContact NH1-O 2.91Å; R177-Y231 PolarHBondContact NH2-O 2.95Å; F179-Y231 AromaticContact CD2-CD1 3.81Å; F179-Y231 HydrophobicContact CD2-CD1 3.81Å; F179-Y231 HydrophobicContact CD2-CD2 4.26Å; F179-Y231 HydrophobicContact CD2-CE1 4.45Å; F179-Y231 AromaticContact CD2-CG 3.7Å; F179-Y231 HydrophobicContact CD2-CG 3.7Å; F179-Y231 HydrophobicContact CE2-CD2 4.38Å; F179-Y231 HydrophobicContact CE2-CG 4.26Å; F179-Y231 WeakPolarHBondContact O-CD1 3.41Å; D180-Y231 HydrophobicContact CB-CE1 4.27Å; R182-Y231 PolarHBondContact NH2-OH 3.44Å; G195-Y231 WeakPolarHBondContact O-CE2 3.07Å; F223-Y231 HydrophobicContact CE1-CD2 4.41Å; F223-Y231 HydrophobicContact CE1-CE2 4.49Å; F223-Y231 HydrophobicContact CE2-CD2 4.2Å; F223-Y231 AromaticContact CZ-CD2 3.73Å; F223-Y231 HydrophobicContact CZ-CD2 3.73Å; F223-Y231 AromaticContact CZ-CE2 3.94Å; F223-Y231 HydrophobicContact CZ-CE2 3.94Å; S228-Y231 PolarHBondContact O-N 3.36Å; S228-Y231 VanDerWaalsContact OG-CD2 3.31Å; S228-Y231 WeakPolarHBondContact OG-CD2 3.34Å; E229-Y231 PolarHBondContact O-N 2.91Å; Y231-I233 VanDerWaalsContact C-N 3.32Å; Y231-I233 HydrophobicContact CD2-CD1 4.5Å; Y231-I233 HydrophobicContact CG-CD1 4.4Å; Y231-I233 PolarHBondContact O-N 2.9Å
232	C	93.5	Very high	94.2	Very high	97 Å²	97	58.7 Å²	58.7	66%	0.655	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	47.3	-172	-55.2	0	0	0	0	112.3	R177 S228 E229	R177-C232 PolarHBondContact NH2-O 3.07Å; S228-C232 WeakPolarHBondContact O-CA 3.46Å; S228-C232 PolarHBondContact O-N 3.32Å; E229-C232 PolarHBondContact O-N 3.15Å; E229-C232 VanDerWaalsContact O-N 3.15Å
233	I	95.9	Very high	94.4	Very high	9 Å²	9	58.2 Å²	58.2	5%	0.046	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-100.9	125.9	179.8	-65.6	171.7	0	0	0	108.9	F179 F223 G227 S228 Y231 A237 L239	F179-I233 HydrophobicContact CD1-CD1 3.91Å; F179-I233 HydrophobicContact CD1-CG1 4.41Å; F179-I233 HydrophobicContact CD2-CD1 3.81Å; F179-I233 HydrophobicContact CE1-CD1 3.76Å; F179-I233 HydrophobicContact CE2-CD1 3.68Å; F179-I233 HydrophobicContact CG-CD1 3.93Å; F179-I233 HydrophobicContact CG-CG1 4.47Å; F179-I233 HydrophobicContact CZ-CD1 3.65Å; F223-I233 HydrophobicContact CD2-CB 4.43Å; F223-I233 HydrophobicContact CD2-CD1 3.44Å; F223-I233 VanDerWaalsContact CD2-CD1 3.44Å; F223-I233 HydrophobicContact CD2-CG2 4.17Å; F223-I233 HydrophobicContact CE2-CD1 3.24Å; F223-I233 HydrophobicContact CZ-CD1 4.34Å; G227-I233 WeakPolarHBondContact CA-O 3.47Å; S228-I233 PolarHBondContact N-O 3.4Å; S228-I233 PolarHBondContact O-N 3.23Å; Y231-I233 VanDerWaalsContact C-N 3.32Å; Y231-I233 HydrophobicContact CD2-CD1 4.5Å; Y231-I233 HydrophobicContact CG-CD1 4.4Å; Y231-I233 PolarHBondContact O-N 2.9Å; I233-A237 HydrophobicContact CG2-CB 3.57Å; I233-L239 HydrophobicContact CD1-CD2 4.1Å; I233-L239 HydrophobicContact CG2-CD2 3.96Å
234	P	94.4	Very high	94.5	Very high	72 Å²	72	60.4 Å²	60.4	47%	0.468	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-70.7	160.4	-178.9	27.9	-31.2	0	0	0	112.4	G236 A237	P234-G236 PolarHBondContact O-N 2.84Å; P234-A237 HydrophobicContact CG-CB 4.06Å; P234-A237 WeakPolarHBondContact O-CB 3.43Å; P234-A237 PolarHBondContact O-N 3.47Å
235	C	95	Very high	94.8	Very high	90 Å²	90	59.2 Å²	59.2	61%	0.608	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	132.7	173.4	-56.2	0	0	0	0	110.7	G225 A237	G225-C235 WeakPolarHBondContact O-CB 3.33Å; G225-C235 PolarHBondContact O-SG 3.41Å; C235-A237 VanDerWaalsContact C-N 3.28Å; C235-A237 PolarHBondContact O-N 3.06Å
236	G	93.7	Very high	95.3	Very high	40 Å²	40	59.8 Å²	59.8	41%	0.412	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	21	177.1	0	0	0	0	0	114.6	P219 G224 P234	P219-G236 WeakPolarHBondContact CG-O 3.26Å; G224-G236 PolarHBondContact O-N 2.96Å; P234-G236 PolarHBondContact O-N 2.84Å
237	A	95.6	Very high	95.7	Very high	14 Å²	14	53.8 Å²	53.8	12%	0.116	30%	0.298	C	S	.	.			trans	-70.2	139.3	176.8	0	0	0	0	0	112.7	I233 P234 C235 L239	I233-A237 HydrophobicContact CG2-CB 3.57Å; P234-A237 HydrophobicContact CG-CB 4.06Å; P234-A237 WeakPolarHBondContact O-CB 3.43Å; P234-A237 PolarHBondContact O-N 3.47Å; C235-A237 VanDerWaalsContact C-N 3.28Å; C235-A237 PolarHBondContact O-N 3.06Å; A237-L239 HydrophobicContact CB-CD2 4.26Å
238	T	96.9	Very high	96	Very high	67 Å²	67	54.7 Å²	54.7	41%	0.411	30%	0.299	S	S	.	.			trans	-84.5	131.5	164.3	-64.2	0	0	0	0	108.7	I216 M217	I216-T238 HydrophobicContact CG2-CG2 3.77Å; M217-T238 WeakPolarHBondContact O-CA 3.42Å; M217-T238 WeakPolarHBondContact O-CG2 3.37Å
239	L	97.8	Very high	96.1	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	148.5	-176.9	-53.2	177.3	0	0	0	110.5	C174 F179 P197 I216 M217 F223 I233 A237 Y241	C174-L239 HydrophobicContact CB-CD2 4.08Å; F179-L239 HydrophobicContact CE1-CD2 4.11Å; F179-L239 HydrophobicContact CZ-CD2 4.39Å; P197-L239 HydrophobicContact CG-CD1 4.18Å; I216-L239 WeakPolarHBondContact CA-O 3.24Å; M217-L239 PolarHBondContact N-O 3.15Å; M217-L239 PolarHBondContact O-N 2.99Å; F223-L239 HydrophobicContact CD2-CD1 3.53Å; F223-L239 HydrophobicContact CE2-CD1 3.75Å; F223-L239 HydrophobicContact CG-CD1 4.47Å; I233-L239 HydrophobicContact CD1-CD2 4.1Å; I233-L239 HydrophobicContact CG2-CD2 3.96Å; A237-L239 HydrophobicContact CB-CD2 4.26Å; L239-Y241 HydrophobicContact CB-CD2 4.27Å; L239-Y241 HydrophobicContact CB-CE2 4.25Å; L239-Y241 HydrophobicContact CD1-CE2 4.11Å
240	Q	97.9	Very high	96.2	Very high	88 Å²	88	56.7 Å²	56.7	41%	0.411	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.1	166.8	-63.4	-173.2	28.1	0	0	109	G172 T173 L214 F215 I216	G172-Q240 CarbonylContact C-O 3.6Å; T173-Q240 PolarHBondContact N-O 3.49Å; T173-Q240 PolarHBondContact O-N 2.93Å; L214-Q240 HydrophobicContact CD1-CB 4.31Å; F215-Q240 CarbonylContact O-C 3.58Å; F215-Q240 VanDerWaalsContact O-CA 3.29Å; F215-Q240 WeakPolarHBondContact O-CA 3.38Å; I216-Q240 HydrophobicContact CG1-CG 4.35Å
241	Y	98.4	Very high	96	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	120.2	174.7	-91	-88.3	0	0	0	110.1	V170 Q171 F179 P197 V200 L214 F215 M217 L239	V170-Y241 HydrophobicContact CB-CD1 4.42Å; Q171-Y241 WeakPolarHBondContact O-CA 3.47Å; F179-Y241 VanDerWaalsContact CE2-OH 3.3Å; F179-Y241 WeakPolarHBondContact CE2-OH 3.49Å; F179-Y241 AromaticContact CZ-CE2 3.85Å; F179-Y241 HydrophobicContact CZ-CE2 3.85Å; F179-Y241 AromaticContact CZ-CZ 3.68Å; F179-Y241 WeakPolarHBondContact CZ-OH 3.5Å; P197-Y241 HydrophobicContact CG-CE2 3.99Å; V200-Y241 HydrophobicContact CG2-CD1 3.83Å; V200-Y241 HydrophobicContact CG2-CD2 3.71Å; V200-Y241 HydrophobicContact CG2-CE1 3.83Å; V200-Y241 HydrophobicContact CG2-CE2 3.71Å; V200-Y241 HydrophobicContact CG2-CG 3.76Å; L214-Y241 CarbonylContact C-O 3.53Å; L214-Y241 WeakPolarHBondContact CA-O 3.1Å; F215-Y241 PolarHBondContact N-O 2.82Å; F215-Y241 PolarHBondContact O-N 3.35Å; M217-Y241 HydrophobicContact CE-CD2 4.29Å; M217-Y241 HydrophobicContact CE-CG 4.44Å; M217-Y241 HydrophobicContact SD-CD2 4.04Å; L239-Y241 HydrophobicContact CB-CD2 4.27Å; L239-Y241 HydrophobicContact CB-CE2 4.25Å; L239-Y241 HydrophobicContact CD1-CE2 4.11Å
242	K	98.4	Very high	95.6	Very high	65 Å²	65	53.9 Å²	53.9	28%	0.283	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	119.9	163.5	-173.8	-177	-179.9	-157.3	0	107.7	I151 Q171 E212 A213 L214	I151-K242 HydrophobicContact CD1-CD 4.27Å; I151-K242 HydrophobicContact CD1-CG 4.08Å; Q171-K242 HydrophobicContact CB-CB 4.28Å; Q171-K242 PolarHBondContact N-O 3.06Å; Q171-K242 PolarHBondContact O-N 2.93Å; E212-K242 WeakPolarHBondContact OE1-CE 3.25Å; E212-K242 IonicContact OE1-NZ 3.05Å; E212-K242 PolarHBondContact OE1-NZ 3.46Å; A213-K242 WeakPolarHBondContact O-CA 3.28Å; L214-K242 HydrophobicContact CD1-CB 4.37Å
243	I	98.7	Very high	94.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	134.2	-175.5	-53.6	178.7	0	0	0	108.5	F169 V170 V200 A203 I204 M207 E212 A213 F215	F169-I243 WeakPolarHBondContact O-CA 3.3Å; V170-I243 HydrophobicContact CG1-CG1 4.37Å; V170-I243 HydrophobicContact CG1-CG2 4.36Å; V200-I243 HydrophobicContact CG1-CD1 4.06Å; A203-I243 HydrophobicContact CB-CD1 3.87Å; I204-I243 HydrophobicContact CG1-CD1 4.41Å; I204-I243 HydrophobicContact CG1-CG2 4.03Å; M207-I243 HydrophobicContact CE-CB 4.3Å; M207-I243 HydrophobicContact CE-CG2 4.1Å; M207-I243 WeakPolarHBondContact CE-O 3.25Å; M207-I243 HydrophobicContact SD-CB 4.06Å; M207-I243 HydrophobicContact SD-CG2 3.69Å; E212-I243 CarbonylContact C-O 3.53Å; E212-I243 WeakPolarHBondContact CA-O 3.36Å; A213-I243 PolarHBondContact N-O 2.81Å; A213-I243 PolarHBondContact O-N 2.95Å; F215-I243 HydrophobicContact CD2-CB 4.24Å; F215-I243 HydrophobicContact CD2-CD1 3.76Å; F215-I243 HydrophobicContact CD2-CG1 4Å; F215-I243 HydrophobicContact CE2-CB 4.11Å; F215-I243 HydrophobicContact CE2-CD1 4.06Å; F215-I243 HydrophobicContact CE2-CG1 4.32Å
244	K	98.6	Very high	94.1	Very high	87 Å²	87	53.3 Å²	53.3	38%	0.378	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119.6	167.9	-177.7	177.1	179.2	175.8	0	109.1	V168 F169 E211 E212 T246	V168-K244 CarbonylContact C-O 3.54Å; V168-K244 VanDerWaalsContact CA-O 3.25Å; V168-K244 WeakPolarHBondContact CA-O 3.41Å; F169-K244 HydrophobicContact CB-CB 4.23Å; F169-K244 PolarHBondContact N-O 3.4Å; F169-K244 PolarHBondContact O-N 2.64Å; E211-K244 WeakPolarHBondContact O-CA 3.41Å; E212-K244 HydrophobicContact CB-CB 4.28Å; E212-K244 HydrophobicContact CB-CG 4.24Å; E212-K244 HydrophobicContact CG-CB 4.09Å; E212-K244 HydrophobicContact CG-CG 4.47Å; K244-T246 PolarHBondContact O-N 3.1Å
245	L	98.5	Very high	93.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	102.2	176.1	177.9	57.2	0	0	0	109.1	P160 V166 V168 I204 M207 G210 E211 F248	P160-L245 HydrophobicContact CG-CD2 3.74Å; V166-L245 HydrophobicContact CB-CD1 4.3Å; V166-L245 HydrophobicContact CG1-CD1 4.49Å; V168-L245 HydrophobicContact CG1-CD1 3.67Å; I204-L245 HydrophobicContact CG2-CD1 4.24Å; M207-L245 HydrophobicContact CB-CB 4.29Å; M207-L245 HydrophobicContact CB-CD2 3.81Å; M207-L245 HydrophobicContact CE-CB 3.91Å; M207-L245 HydrophobicContact SD-CB 4.34Å; G210-L245 VanDerWaalsContact CA-O 3.25Å; G210-L245 WeakPolarHBondContact CA-O 3.07Å; G210-L245 PolarHBondContact N-O 2.92Å; E211-L245 PolarHBondContact O-N 2.83Å; L245-F248 HydrophobicContact CD1-CB 4.39Å; L245-F248 HydrophobicContact CD2-CD1 3.95Å; L245-F248 HydrophobicContact CD2-CE1 4.38Å; L245-F248 HydrophobicContact CG-CD1 4.41Å
246	T	98	Very high	92.8	Very high	71 Å²	71	59.9 Å²	59.9	44%	0.436	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-48.3	-176.3	-57.7	0	0	0	0	111.3	E167 Q209 K244	E167-T246 WeakPolarHBondContact O-CB 3.45Å; E167-T246 PolarHBondContact O-N 3.29Å; Q209-T246 WeakPolarHBondContact CG-O 3.36Å; K244-T246 PolarHBondContact O-N 3.1Å
247	A	97.9	Very high	92.4	Very high	26 Å²	26	58.4 Å²	58.4	22%	0.215	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	158.2	-179.8	0	0	0	0	0	110.5	E167	E167-A247 HydrophobicContact CB-CB 4.36Å; E167-A247 PolarHBondContact N-O 3.04Å; E167-A247 PolarHBondContact O-N 3.28Å
248	F	97.9	Very high	92.1	Very high	31 Å²	31	61.9 Å²	61.9	14%	0.136	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	157.9	167.7	70.1	-83.7	0	0	0	112	S158 K159 P160 V165 V166 Q209 L245 K250	S158-F248 WeakPolarHBondContact O-CZ 3.42Å; K159-F248 WeakPolarHBondContact O-CE2 3.45Å; P160-F248 HydrophobicContact CB-CB 4.48Å; P160-F248 HydrophobicContact CB-CD2 4.05Å; P160-F248 HydrophobicContact CB-CG 4.26Å; P160-F248 HydrophobicContact CG-CB 4.03Å; P160-F248 HydrophobicContact CG-CD1 3.9Å; P160-F248 HydrophobicContact CG-CD2 3.87Å; P160-F248 HydrophobicContact CG-CE1 4.31Å; P160-F248 HydrophobicContact CG-CE2 4.28Å; P160-F248 HydrophobicContact CG-CG 3.67Å; P160-F248 HydrophobicContact CG-CZ 4.5Å; V165-F248 CarbonylContact O-C 3.53Å; V165-F248 WeakPolarHBondContact O-CA 3.34Å; V166-F248 HydrophobicContact CB-CB 4.43Å; V166-F248 HydrophobicContact CG1-CB 3.84Å; Q209-F248 HydrophobicContact CB-CD1 4.27Å; Q209-F248 HydrophobicContact CB-CE1 3.95Å; L245-F248 HydrophobicContact CD1-CB 4.39Å; L245-F248 HydrophobicContact CD2-CD1 3.95Å; L245-F248 HydrophobicContact CD2-CE1 4.38Å; L245-F248 HydrophobicContact CG-CD1 4.41Å; F248-K250 HydrophobicContact CD2-CG 4.03Å; F248-K250 HydrophobicContact CE2-CD 4.32Å; F248-K250 HydrophobicContact CE2-CG 3.58Å
249	E	95.7	Very high	91.6	Very high	146 Å²	146	60.9 Å²	60.9	68%	0.682	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.2	169.5	-174.1	180	175.7	0	0	108.1	A164 V165	A164-E249 CarbonylContact C-O 3.53Å; A164-E249 VanDerWaalsContact CA-O 3.25Å; A164-E249 WeakPolarHBondContact CA-O 3.3Å; A164-E249 VanDerWaalsContact CB-O 3.31Å; A164-E249 WeakPolarHBondContact CB-O 3.37Å; V165-E249 PolarHBondContact N-O 2.88Å; V165-E249 PolarHBondContact O-N 2.68Å
250	K	93	Very high	91.2	Very high	100 Å²	100	68 Å²	68	44%	0.435	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-63.4	143.7	179.9	-67	-171.4	71.4	-169.3	0	110.8	N161 F248	N161-K250 WeakPolarHBondContact OD1-CA 3.32Å; N161-K250 WeakPolarHBondContact OD1-CB 3.48Å; F248-K250 HydrophobicContact CD2-CG 4.03Å; F248-K250 HydrophobicContact CE2-CD 4.32Å; F248-K250 HydrophobicContact CE2-CG 3.58Å
251	A	87.6	Confident	90.8	Very high	24 Å²	24	66.3 Å²	66.3	20%	0.198	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-66.4	136.3	161	0	0	0	0	0	109	N161 E253	N161-A251 PolarHBondContact ND2-O 2.7Å; N161-A251 PolarHBondContact OD1-N 3.24Å; A251-E253 PolarHBondContact O-N 3.28Å
252	K	83.8	Confident	90.5	Very high	104 Å²	104	66.9 Å²	66.9	45%	0.452	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-64.8	132.8	168.8	-70.7	-171.8	177.4	-175	0	109.5	E256 M257 E261	K252-E256 WeakPolarHBondContact CA-OE2 3.25Å; K252-E256 HydrophobicContact CB-CB 4.48Å; K252-M257 HydrophobicContact CB-CE 4.41Å; K252-M257 HydrophobicContact CB-CG 3.79Å; K252-M257 HydrophobicContact CB-SD 4.08Å; K252-M257 HydrophobicContact CD-CG 3.64Å; K252-M257 HydrophobicContact CD-SD 4.35Å; K252-M257 HydrophobicContact CG-CG 4.39Å; K252-E261 IonicContact NZ-OE1 2.76Å; K252-E261 PolarHBondContact NZ-OE1 3.25Å; K252-E261 IonicContact NZ-OE2 3.42Å
253	E	80.5	Confident	90.2	Very high	64 Å²	64	64.8 Å²	64.8	30%	0.299	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-73	157.1	172.1	-63.3	-66.7	162.5	0	0	110.4	N161 A251 W255 E256	N161-E253 PolarHBondContact ND2-OE1 3.47Å; A251-E253 PolarHBondContact O-N 3.28Å; E253-W255 HydrophobicContact CB-CD2 3.76Å; E253-W255 VanDerWaalsContact CB-CE2 3.44Å; E253-W255 HydrophobicContact CB-CE3 3.96Å; E253-W255 HydrophobicContact CB-CG 4.49Å; E253-W255 HydrophobicContact CB-CH2 3.62Å; E253-W255 HydrophobicContact CB-CZ2 3.4Å; E253-W255 HydrophobicContact CB-CZ3 3.89Å; E253-W255 HydrophobicContact CG-CH2 3.62Å; E253-W255 HydrophobicContact CG-CZ2 3.43Å; E253-W255 VanDerWaalsContact CG-CZ2 3.43Å; E253-W255 HydrophobicContact CG-CZ3 4.34Å; E253-W255 PolarHBondContact O-N 3.46Å; E253-W255 VanDerWaalsContact O-N 3.14Å; E253-E256 HydrophobicContact CB-CG 4.1Å; E253-E256 PolarHBondContact N-OE2 3.14Å; E253-E256 WeakPolarHBondContact O-CB 3.45Å; E253-E256 PolarHBondContact O-N 2.87Å
254	S	77.8	Confident	89.8	Confident	31 Å²	31	70.6 Å²	70.6	22%	0.217	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-55.6	-36.6	-175.8	-168.8	0	0	0	0	112.6	K262	S254-K262 WeakPolarHBondContact O-CE 3.37Å; S254-K262 PolarHBondContact O-NZ 2.88Å
255	W	79.3	Confident	89.4	Confident	198 Å²	198	69.7 Å²	69.7	75%	0.75	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-78.8	-15.2	178.6	61	80.9	0	0	0	114.7	E253 M257	E253-W255 HydrophobicContact CB-CD2 3.76Å; E253-W255 VanDerWaalsContact CB-CE2 3.44Å; E253-W255 HydrophobicContact CB-CE3 3.96Å; E253-W255 HydrophobicContact CB-CG 4.49Å; E253-W255 HydrophobicContact CB-CH2 3.62Å; E253-W255 HydrophobicContact CB-CZ2 3.4Å; E253-W255 HydrophobicContact CB-CZ3 3.89Å; E253-W255 HydrophobicContact CG-CH2 3.62Å; E253-W255 HydrophobicContact CG-CZ2 3.43Å; E253-W255 VanDerWaalsContact CG-CZ2 3.43Å; E253-W255 HydrophobicContact CG-CZ3 4.34Å; E253-W255 PolarHBondContact O-N 3.46Å; E253-W255 VanDerWaalsContact O-N 3.14Å; W255-M257 VanDerWaalsContact C-N 3.3Å
256	E	84	Confident	89.2	Confident	101 Å²	101	69.7 Å²	69.7	47%	0.472	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-82.4	-14.2	178.2	-64.5	178.8	148.1	0	0	112.1	K252 E253	K252-E256 WeakPolarHBondContact CA-OE2 3.25Å; K252-E256 HydrophobicContact CB-CB 4.48Å; E253-E256 HydrophobicContact CB-CG 4.1Å; E253-E256 PolarHBondContact N-OE2 3.14Å; E253-E256 WeakPolarHBondContact O-CB 3.45Å; E253-E256 PolarHBondContact O-N 2.87Å
257	M	85.3	Confident	89	Confident	10 Å²	10	67.6 Å²	67.6	5%	0.049	33%	0.331	C	S	.	.	S	Bend	trans	-100.3	134.5	178.6	-65.5	-178.1	-75.5	0	0	111	K252 W255 E261 K262 Q265 W295	K252-M257 HydrophobicContact CB-CE 4.41Å; K252-M257 HydrophobicContact CB-CG 3.79Å; K252-M257 HydrophobicContact CB-SD 4.08Å; K252-M257 HydrophobicContact CD-CG 3.64Å; K252-M257 HydrophobicContact CD-SD 4.35Å; K252-M257 HydrophobicContact CG-CG 4.39Å; W255-M257 VanDerWaalsContact C-N 3.3Å; M257-E261 WeakPolarHBondContact CA-OE2 3.37Å; M257-E261 HydrophobicContact CB-CB 4.12Å; M257-E261 HydrophobicContact CG-CB 4.45Å; M257-K262 HydrophobicContact CB-CG 3.73Å; M257-K262 HydrophobicContact CE-CG 4.39Å; M257-K262 WeakPolarHBondContact O-CE 3.41Å; M257-Q265 HydrophobicContact SD-CB 4.47Å; M257-Q265 HydrophobicContact SD-CG 4.1Å; M257-W295 HydrophobicContact CE-CD2 3.85Å; M257-W295 VanDerWaalsContact CE-CE2 3.44Å; M257-W295 HydrophobicContact CE-CG 3.91Å; M257-W295 HydrophobicContact CE-CZ2 3.94Å; M257-W295 VanDerWaalsContact CE-NE1 3.27Å
258	N	88.9	Confident	88.7	Confident	87 Å²	87	69.6 Å²	69.6	47%	0.465	34%	0.338	S	S	.	.			trans	-74.9	168.6	166.4	70	58.3	0	0	0	110.8	M260 E261 K262	N258-M260 VanDerWaalsContact C-N 3.32Å; N258-M260 PolarHBondContact O-N 2.82Å; N258-M260 WeakPolarHBondContact OD1-CA 3.43Å; N258-M260 WeakPolarHBondContact OD1-CB 3.5Å; N258-M260 PolarHBondContact OD1-N 2.9Å; N258-E261 PolarHBondContact N-OE2 3.47Å; N258-E261 PolarHBondContact ND2-OE2 2.79Å; N258-E261 VanDerWaalsContact ND2-OE2 3.15Å; N258-E261 PolarHBondContact O-N 3.01Å; N258-E261 PolarHBondContact OD1-N 2.87Å; N258-K262 WeakPolarHBondContact O-CG 3.31Å; N258-K262 PolarHBondContact O-N 3.49Å
259	T	86.6	Confident	88.4	Confident	46 Å²	46	68.4 Å²	68.4	28%	0.282	33%	0.333	S	S	.	.	H	α-helix	trans	-53.2	-44.2	-180	-64	0	0	0	0	114.1	K262 L263 L302	T259-K262 PolarHBondContact O-N 2.93Å; T259-L263 HydrophobicContact CG2-CD1 4.22Å; T259-L263 WeakPolarHBondContact O-CG 3.08Å; T259-L263 PolarHBondContact O-N 2.76Å; T259-L302 HydrophobicContact CG2-CD2 3.13Å
260	M	88.1	Confident	88.4	Confident	149 Å²	149	64.4 Å²	64.4	73%	0.734	31%	0.313	S	S	*	.	H	α-helix	trans	-65.7	-44.1	-178	-174.6	-179.3	-72.5	0	0	110.3	N258 L263 E264	N258-M260 VanDerWaalsContact C-N 3.32Å; N258-M260 PolarHBondContact O-N 2.82Å; N258-M260 WeakPolarHBondContact OD1-CA 3.43Å; N258-M260 WeakPolarHBondContact OD1-CB 3.5Å; N258-M260 PolarHBondContact OD1-N 2.9Å; M260-L263 PolarHBondContact O-N 2.86Å; M260-E264 PolarHBondContact O-N 3.04Å
261	E	89.8	Confident	88.6	Confident	53 Å²	53	65.3 Å²	65.3	25%	0.248	32%	0.319	C	S	.	.	H	α-helix	trans	-61.7	-44.5	174.2	-69.5	177.7	127	0	0	111.5	K252 M257 N258 L263 E264 Q265	K252-E261 IonicContact NZ-OE1 2.76Å; K252-E261 PolarHBondContact NZ-OE1 3.25Å; K252-E261 IonicContact NZ-OE2 3.42Å; M257-E261 WeakPolarHBondContact CA-OE2 3.37Å; M257-E261 HydrophobicContact CB-CB 4.12Å; M257-E261 HydrophobicContact CG-CB 4.45Å; N258-E261 PolarHBondContact N-OE2 3.47Å; N258-E261 PolarHBondContact ND2-OE2 2.79Å; N258-E261 VanDerWaalsContact ND2-OE2 3.15Å; N258-E261 PolarHBondContact O-N 3.01Å; N258-E261 PolarHBondContact OD1-N 2.87Å; E261-L263 VanDerWaalsContact C-N 3.32Å; E261-L263 PolarHBondContact O-N 3.32Å; E261-E264 PolarHBondContact O-N 2.93Å; E261-Q265 WeakPolarHBondContact O-CB 3.39Å; E261-Q265 VanDerWaalsContact O-CG 3.27Å; E261-Q265 WeakPolarHBondContact O-CG 3.24Å; E261-Q265 PolarHBondContact O-N 3.48Å
262	K	91.4	Very high	88.7	Confident	12 Å²	12	68.9 Å²	68.9	5%	0.052	33%	0.33	C	S	.	.	H	α-helix	trans	-58.9	-42.9	177.5	-74.6	174.1	174.3	173.8	0	112.1	S254 M257 N258 T259 S266 W295 L296 E299	S254-K262 WeakPolarHBondContact O-CE 3.37Å; S254-K262 PolarHBondContact O-NZ 2.88Å; M257-K262 HydrophobicContact CB-CG 3.73Å; M257-K262 HydrophobicContact CE-CG 4.39Å; M257-K262 WeakPolarHBondContact O-CE 3.41Å; N258-K262 WeakPolarHBondContact O-CG 3.31Å; N258-K262 PolarHBondContact O-N 3.49Å; T259-K262 PolarHBondContact O-N 2.93Å; K262-S266 WeakPolarHBondContact O-CB 3.48Å; K262-S266 PolarHBondContact O-N 2.91Å; K262-S266 PolarHBondContact O-OG 3.31Å; K262-W295 WeakPolarHBondContact CD-O 3.45Å; K262-W295 HydrophobicContact CG-CB 4.28Å; K262-L296 HydrophobicContact CB-CD2 4.01Å; K262-E299 WeakPolarHBondContact CD-OE1 3.39Å; K262-E299 IonicContact NZ-OE1 2.66Å; K262-E299 PolarHBondContact NZ-OE1 3.42Å; K262-E299 IonicContact NZ-OE2 2.68Å; K262-E299 PolarHBondContact NZ-OE2 3.08Å
263	L	92.2	Very high	89.2	Confident	20 Å²	20	64 Å²	64	11%	0.105	31%	0.309	C	S	.	.	H	α-helix	trans	-66.2	-43.7	178.3	-72.2	173.7	0	0	0	111.9	T259 M260 E261 G267 L296 D306 K309 A310 L313	T259-L263 HydrophobicContact CG2-CD1 4.22Å; T259-L263 WeakPolarHBondContact O-CG 3.08Å; T259-L263 PolarHBondContact O-N 2.76Å; M260-L263 PolarHBondContact O-N 2.86Å; E261-L263 VanDerWaalsContact C-N 3.32Å; E261-L263 PolarHBondContact O-N 3.32Å; L263-G267 PolarHBondContact O-N 2.85Å; L263-L296 HydrophobicContact CD2-CD2 4.2Å; L263-D306 HydrophobicContact CD1-CB 3.89Å; L263-K309 HydrophobicContact CD2-CB 4.24Å; L263-A310 HydrophobicContact CD2-CB 3.94Å; L263-L313 HydrophobicContact CD2-CD1 3.9Å
264	E	91.8	Very high	89.9	Confident	122 Å²	122	62.5 Å²	62.5	57%	0.57	30%	0.304	S	S	*	.	H	α-helix	trans	-63.7	-51.8	176.8	-175.8	179.1	-170.1	0	0	111.4	M260 E261 S266 G267 I268	M260-E264 PolarHBondContact O-N 3.04Å; E261-E264 PolarHBondContact O-N 2.93Å; E264-S266 VanDerWaalsContact C-N 3.29Å; E264-S266 PolarHBondContact O-N 2.93Å; E264-G267 WeakPolarHBondContact O-CA 3.36Å; E264-G267 PolarHBondContact O-N 2.84Å; E264-I268 HydrophobicContact CG-CD1 4.41Å; E264-I268 PolarHBondContact O-N 3.2Å; E264-I268 VanDerWaalsContact O-N 3.14Å
265	Q	90.4	Very high	90.7	Very high	69 Å²	69	65.5 Å²	65.5	32%	0.322	32%	0.315	S	S	.	.	H	α-helix	trans	-61.2	-38.7	178.7	-69	-54.7	-48.6	0	0	111.7	M257 E261 G267 I268 V269 W295	M257-Q265 HydrophobicContact SD-CB 4.47Å; M257-Q265 HydrophobicContact SD-CG 4.1Å; E261-Q265 WeakPolarHBondContact O-CB 3.39Å; E261-Q265 VanDerWaalsContact O-CG 3.27Å; E261-Q265 WeakPolarHBondContact O-CG 3.24Å; E261-Q265 PolarHBondContact O-N 3.48Å; Q265-G267 VanDerWaalsContact C-N 3.25Å; Q265-G267 PolarHBondContact O-N 2.75Å; Q265-I268 PolarHBondContact O-N 2.81Å; Q265-I268 VanDerWaalsContact O-N 3.11Å; Q265-V269 WeakPolarHBondContact O-CG2 3.37Å; Q265-V269 PolarHBondContact O-N 3.06Å; Q265-W295 HydrophobicContact CB-CE3 4.31Å; Q265-W295 HydrophobicContact CB-CH2 4.03Å; Q265-W295 HydrophobicContact CB-CZ3 3.66Å
266	S	93.7	Very high	91.1	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.4	-37.7	174.1	-69.3	0	0	0	0	112.4	K262 E264 K270 L296	K262-S266 WeakPolarHBondContact O-CB 3.48Å; K262-S266 PolarHBondContact O-N 2.91Å; K262-S266 PolarHBondContact O-OG 3.31Å; E264-S266 VanDerWaalsContact C-N 3.29Å; E264-S266 PolarHBondContact O-N 2.93Å; S266-K270 WeakPolarHBondContact O-CB 3.48Å; S266-K270 PolarHBondContact O-N 3.15Å; S266-K270 VanDerWaalsContact O-N 3.1Å; S266-L296 WeakPolarHBondContact OG-CD1 3.45Å
267	G	93.8	Very high	91.7	Very high	26 Å²	26	54.7 Å²	54.7	27%	0.268	27%	0.274	S	S	.	.	H	α-helix	trans	-63.1	-47	172.5	0	0	0	0	0	112.4	L263 E264 Q265 K270 E271	L263-G267 PolarHBondContact O-N 2.85Å; E264-G267 WeakPolarHBondContact O-CA 3.36Å; E264-G267 PolarHBondContact O-N 2.84Å; Q265-G267 VanDerWaalsContact C-N 3.25Å; Q265-G267 PolarHBondContact O-N 2.75Å; G267-K270 WeakPolarHBondContact O-CB 3.46Å; G267-K270 PolarHBondContact O-N 2.95Å; G267-E271 PolarHBondContact O-N 3.37Å
268	I	91	Very high	92.2	Very high	69 Å²	69	61.2 Å²	61.2	35%	0.354	30%	0.302	S	S	.	.	H	α-helix	trans	-63.4	-50.5	-179.1	-62.9	168.3	0	0	0	111.3	E264 Q265 K270 E271 K272	E264-I268 HydrophobicContact CG-CD1 4.41Å; E264-I268 PolarHBondContact O-N 3.2Å; E264-I268 VanDerWaalsContact O-N 3.14Å; Q265-I268 PolarHBondContact O-N 2.81Å; Q265-I268 VanDerWaalsContact O-N 3.11Å; I268-K270 VanDerWaalsContact C-N 3.27Å; I268-K270 PolarHBondContact O-N 2.97Å; I268-E271 PolarHBondContact O-N 3.45Å; I268-K272 HydrophobicContact CG2-CD 4.46Å; I268-K272 PolarHBondContact O-N 2.95Å
269	V	91.4	Very high	92.2	Very high	6 Å²	6	61.4 Å²	61.4	4%	0.036	30%	0.303	C	S	.	.	H	α-helix	trans	-68	-28.9	-179	-58.4	0	0	0	0	112	Q265 K272 G273 K291 I292 W295	Q265-V269 WeakPolarHBondContact O-CG2 3.37Å; Q265-V269 PolarHBondContact O-N 3.06Å; V269-K272 PolarHBondContact O-N 3.36Å; V269-G273 PolarHBondContact O-N 3.25Å; V269-K291 HydrophobicContact CG1-CD 4.38Å; V269-K291 HydrophobicContact CG2-CB 4.46Å; V269-I292 HydrophobicContact CG2-CD1 3.98Å; V269-I292 HydrophobicContact CG2-CG1 3.39Å; V269-W295 HydrophobicContact CB-CZ3 4.48Å; V269-W295 HydrophobicContact CG1-CH2 3.76Å; V269-W295 HydrophobicContact CG1-CZ3 3.9Å; V269-W295 HydrophobicContact CG2-CH2 4.38Å; V269-W295 HydrophobicContact CG2-CZ3 3.75Å
270	K	96.4	Very high	92.3	Very high	61 Å²	61	60.9 Å²	60.9	27%	0.265	31%	0.306	S	S	.	.	H	α-helix	trans	-61.6	-45	171.7	179.9	-171.6	164.2	-163.5	0	111.6	S266 G267 I268 G273 T274 Y289 I292 L313	S266-K270 WeakPolarHBondContact O-CB 3.48Å; S266-K270 PolarHBondContact O-N 3.15Å; S266-K270 VanDerWaalsContact O-N 3.1Å; G267-K270 WeakPolarHBondContact O-CB 3.46Å; G267-K270 PolarHBondContact O-N 2.95Å; I268-K270 VanDerWaalsContact C-N 3.27Å; I268-K270 PolarHBondContact O-N 2.97Å; K270-G273 PolarHBondContact O-N 3.29Å; K270-T274 WeakPolarHBondContact O-CB 3.5Å; K270-T274 PolarHBondContact O-N 2.77Å; K270-T274 PolarHBondContact O-OG1 2.78Å; K270-Y289 HydrophobicContact CG-CE1 4.29Å; K270-I292 HydrophobicContact CB-CD1 3.68Å; K270-I292 HydrophobicContact CG-CD1 4.39Å; K270-L313 HydrophobicContact CD-CD2 4.14Å
271	E	95.9	Very high	92.2	Very high	119 Å²	119	58.2 Å²	58.2	56%	0.556	29%	0.291	S	S	*	.	H	α-helix	trans	-66.7	-44	177.6	-67.9	-54.7	138.2	0	0	111	G267 I268 G273 T274 Q275	G267-E271 PolarHBondContact O-N 3.37Å; I268-E271 PolarHBondContact O-N 3.45Å; E271-G273 PolarHBondContact O-N 2.69Å; E271-T274 WeakPolarHBondContact O-CB 3.05Å; E271-T274 PolarHBondContact O-N 3.27Å; E271-T274 VanDerWaalsContact O-N 3.13Å; E271-Q275 PolarHBondContact O-N 3.04Å
272	K	90.1	Very high	92.3	Very high	100 Å²	100	59 Å²	59	44%	0.435	29%	0.292	S	S	.	.	H	α-helix	trans	-55.8	-49.7	172.9	-71.8	-178.7	175.7	-177.7	0	112	I268 V269 T274 Q275 C276 Q288	I268-K272 HydrophobicContact CG2-CD 4.46Å; I268-K272 PolarHBondContact O-N 2.95Å; V269-K272 PolarHBondContact O-N 3.36Å; K272-T274 VanDerWaalsContact C-N 3.25Å; K272-T274 PolarHBondContact O-N 3.26Å; K272-Q275 PolarHBondContact O-N 2.84Å; K272-C276 PolarHBondContact O-N 3.02Å; K272-C276 PolarHBondContact O-SG 2.91Å; K272-Q288 HydrophobicContact CB-CG 4.44Å
273	G	94.5	Very high	92	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.7	-36.5	177.4	0	0	0	0	0	112.3	V269 K270 E271 C276 F277 A285 Y289	V269-G273 PolarHBondContact O-N 3.25Å; K270-G273 PolarHBondContact O-N 3.29Å; E271-G273 PolarHBondContact O-N 2.69Å; G273-C276 PolarHBondContact O-N 3.26Å; G273-F277 WeakPolarHBondContact O-CB 3.5Å; G273-F277 PolarHBondContact O-N 2.62Å; G273-A285 VanDerWaalsContact O-CB 3.3Å; G273-A285 WeakPolarHBondContact O-CB 3.43Å; G273-Y289 PolarHBondContact O-OH 3.13Å
274	T	96.2	Very high	91.6	Very high	33 Å²	33	63.9 Å²	63.9	20%	0.202	31%	0.313	C	S	.	.	H	α-helix	trans	-67.6	-38.8	177.1	-57.8	0	0	0	0	111.6	K270 E271 K272 F277 K278 Y289	K270-T274 WeakPolarHBondContact O-CB 3.5Å; K270-T274 PolarHBondContact O-N 2.77Å; K270-T274 PolarHBondContact O-OG1 2.78Å; E271-T274 WeakPolarHBondContact O-CB 3.05Å; E271-T274 PolarHBondContact O-N 3.27Å; E271-T274 VanDerWaalsContact O-N 3.13Å; K272-T274 VanDerWaalsContact C-N 3.25Å; K272-T274 PolarHBondContact O-N 3.26Å; T274-F277 PolarHBondContact O-N 2.94Å; T274-K278 WeakPolarHBondContact O-CG 3.42Å; T274-K278 PolarHBondContact O-N 3.19Å; T274-K278 VanDerWaalsContact O-N 3.1Å; T274-Y289 WeakPolarHBondContact CA-OH 3.2Å; T274-Y289 PolarHBondContact N-OH 2.9Å; T274-Y289 PolarHBondContact OG1-OH 3.46Å
275	Q	93.4	Very high	91.7	Very high	95 Å²	95	58.1 Å²	58.1	44%	0.444	29%	0.286	S	S	.	.	H	α-helix	trans	-64.8	-48	173.3	-171.2	55.8	46.5	0	0	111.2	E271 K272 F277 K278 D279	E271-Q275 PolarHBondContact O-N 3.04Å; K272-Q275 PolarHBondContact O-N 2.84Å; Q275-F277 VanDerWaalsContact C-N 3.25Å; Q275-F277 PolarHBondContact O-N 3.18Å; Q275-K278 WeakPolarHBondContact O-CB 3.47Å; Q275-K278 PolarHBondContact O-N 3.31Å; Q275-D279 PolarHBondContact NE2-OD1 2.78Å; Q275-D279 PolarHBondContact NE2-OD2 3.09Å; Q275-D279 VanDerWaalsContact O-CG 3.28Å; Q275-D279 PolarHBondContact O-N 3.22Å
276	C	88.6	Confident	91.7	Very high	19 Å²	19	55 Å²	55	13%	0.128	27%	0.272	C	S	.	.	H	α-helix	trans	-56	-41.9	176.1	-62.4	0	0	0	0	111.9	K272 G273 K278 D279 G280 K281 Q284 A285	K272-C276 PolarHBondContact O-N 3.02Å; K272-C276 PolarHBondContact O-SG 2.91Å; G273-C276 PolarHBondContact O-N 3.26Å; C276-K278 PolarHBondContact O-N 3.46Å; C276-D279 PolarHBondContact O-N 2.96Å; C276-G280 PolarHBondContact O-N 2.94Å; C276-K281 HydrophobicContact CB-CB 4.31Å; C276-K281 WeakPolarHBondContact O-CA 3.4Å; C276-K281 WeakPolarHBondContact O-CB 3.13Å; C276-K281 PolarHBondContact O-N 3.22Å; C276-Q284 HydrophobicContact CB-CB 4.05Å; C276-Q284 PolarHBondContact SG-OE1 3.35Å; C276-Q284 VanDerWaalsContact SG-OE1 3.34Å; C276-A285 HydrophobicContact CB-CB 3.93Å
277	F	95.5	Very high	91.4	Very high	52 Å²	52	56.6 Å²	56.6	23%	0.228	28%	0.281	C	S	.	.	H	α-helix	trans	-62.7	-42.1	177.6	-173	-86.2	0	0	0	112.2	G273 T274 Q275 D279 G280 Y282 A285 M323 K327	G273-F277 WeakPolarHBondContact O-CB 3.5Å; G273-F277 PolarHBondContact O-N 2.62Å; T274-F277 PolarHBondContact O-N 2.94Å; Q275-F277 VanDerWaalsContact C-N 3.25Å; Q275-F277 PolarHBondContact O-N 3.18Å; F277-D279 VanDerWaalsContact C-N 3.28Å; F277-D279 PolarHBondContact O-N 2.95Å; F277-G280 PolarHBondContact O-N 3.06Å; F277-G280 VanDerWaalsContact O-N 3.17Å; F277-Y282 AromaticContact CD2-CD1 3.7Å; F277-Y282 HydrophobicContact CD2-CD1 3.7Å; F277-Y282 HydrophobicContact CD2-CE1 4.1Å; F277-Y282 HydrophobicContact CE1-CE1 4.48Å; F277-Y282 AromaticContact CE2-CD1 3.71Å; F277-Y282 HydrophobicContact CE2-CD1 3.71Å; F277-Y282 AromaticContact CE2-CE1 3.91Å; F277-Y282 HydrophobicContact CE2-CE1 3.91Å; F277-Y282 HydrophobicContact CG-CD1 4.37Å; F277-Y282 HydrophobicContact CG-CE1 4.47Å; F277-Y282 HydrophobicContact CZ-CD1 4.37Å; F277-Y282 HydrophobicContact CZ-CE1 4.1Å; F277-A285 HydrophobicContact CB-CB 3.96Å; F277-M323 HydrophobicContact CE1-CG 4.47Å; F277-M323 HydrophobicContact CE2-CB 4.23Å; F277-M323 HydrophobicContact CE2-CG 3.73Å; F277-M323 HydrophobicContact CZ-CB 4.41Å; F277-M323 HydrophobicContact CZ-CE 4.47Å; F277-M323 HydrophobicContact CZ-CG 3.46Å; F277-M323 VanDerWaalsContact CZ-CG 3.46Å; F277-K327 HydrophobicContact CE2-CG 4.2Å; F277-K327 HydrophobicContact CZ-CG 4.16Å
278	K	95.8	Very high	91.3	Very high	147 Å²	147	56.2 Å²	56.2	64%	0.639	27%	0.272	S	S	*	.	H	α-helix	trans	-63.7	-35.9	176.1	-72.9	172.3	-178	172.8	0	112	T274 Q275 C276 G280	T274-K278 WeakPolarHBondContact O-CG 3.42Å; T274-K278 PolarHBondContact O-N 3.19Å; T274-K278 VanDerWaalsContact O-N 3.1Å; Q275-K278 WeakPolarHBondContact O-CB 3.47Å; Q275-K278 PolarHBondContact O-N 3.31Å; C276-K278 PolarHBondContact O-N 3.46Å; K278-G280 PolarHBondContact O-N 3.08Å
279	D	89.2	Confident	91.5	Very high	91 Å²	91	53.1 Å²	53.1	49%	0.487	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	3	178	-59.6	-17.5	0	0	0	112.8	Q275 C276 F277 K281	Q275-D279 PolarHBondContact NE2-OD1 2.78Å; Q275-D279 PolarHBondContact NE2-OD2 3.09Å; Q275-D279 VanDerWaalsContact O-CG 3.28Å; Q275-D279 PolarHBondContact O-N 3.22Å; C276-D279 PolarHBondContact O-N 2.96Å; F277-D279 VanDerWaalsContact C-N 3.28Å; F277-D279 PolarHBondContact O-N 2.95Å; D279-K281 HydrophobicContact CB-CD 4.08Å; D279-K281 HydrophobicContact CB-CG 4.36Å; D279-K281 PolarHBondContact O-N 3.49Å
280	G	89.4	Confident	91.6	Very high	35 Å²	35	57.7 Å²	57.7	36%	0.361	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	4.9	-178.7	0	0	0	0	0	114.3	C276 F277 K278 Y282	C276-G280 PolarHBondContact O-N 2.94Å; F277-G280 PolarHBondContact O-N 3.06Å; F277-G280 VanDerWaalsContact O-N 3.17Å; K278-G280 PolarHBondContact O-N 3.08Å; G280-Y282 VanDerWaalsContact C-N 3.3Å; G280-Y282 WeakPolarHBondContact O-CD2 3.26Å; G280-Y282 PolarHBondContact O-N 2.9Å
281	K	86.4	Confident	91.3	Very high	94 Å²	94	56.5 Å²	56.5	41%	0.409	27%	0.271	S	S	.	.			trans	-86.5	66	-178.2	-64.6	166	162.8	-166.1	0	110.7	C276 D279 K283 Q284 A285	C276-K281 HydrophobicContact CB-CB 4.31Å; C276-K281 WeakPolarHBondContact O-CA 3.4Å; C276-K281 WeakPolarHBondContact O-CB 3.13Å; C276-K281 PolarHBondContact O-N 3.22Å; D279-K281 HydrophobicContact CB-CD 4.08Å; D279-K281 HydrophobicContact CB-CG 4.36Å; D279-K281 PolarHBondContact O-N 3.49Å; K281-K283 VanDerWaalsContact C-N 3.35Å; K281-K283 PolarHBondContact O-N 3.36Å; K281-Q284 HydrophobicContact CB-CB 4.15Å; K281-Q284 HydrophobicContact CB-CG 3.96Å; K281-Q284 WeakPolarHBondContact O-CB 3.49Å; K281-Q284 PolarHBondContact O-N 3.33Å; K281-A285 PolarHBondContact O-N 3.25Å
282	Y	91.4	Very high	91.2	Very high	68 Å²	68	50.9 Å²	50.9	27%	0.267	24%	0.244	S	C	.	.	H	α-helix	trans	-63.3	-36.1	-171.3	-52.8	-52.8	0	0	0	114	F277 G280 A285 S286 K327	F277-Y282 AromaticContact CD2-CD1 3.7Å; F277-Y282 HydrophobicContact CD2-CD1 3.7Å; F277-Y282 HydrophobicContact CD2-CE1 4.1Å; F277-Y282 HydrophobicContact CE1-CE1 4.48Å; F277-Y282 AromaticContact CE2-CD1 3.71Å; F277-Y282 HydrophobicContact CE2-CD1 3.71Å; F277-Y282 AromaticContact CE2-CE1 3.91Å; F277-Y282 HydrophobicContact CE2-CE1 3.91Å; F277-Y282 HydrophobicContact CG-CD1 4.37Å; F277-Y282 HydrophobicContact CG-CE1 4.47Å; F277-Y282 HydrophobicContact CZ-CD1 4.37Å; F277-Y282 HydrophobicContact CZ-CE1 4.1Å; G280-Y282 VanDerWaalsContact C-N 3.3Å; G280-Y282 WeakPolarHBondContact O-CD2 3.26Å; G280-Y282 PolarHBondContact O-N 2.9Å; Y282-A285 PolarHBondContact O-N 3.24Å; Y282-S286 PolarHBondContact O-N 3.23Å; Y282-K327 HydrophobicContact CD1-CB 3.92Å; Y282-K327 HydrophobicContact CD1-CG 4.13Å; Y282-K327 HydrophobicContact CD2-CB 3.6Å; Y282-K327 HydrophobicContact CD2-CG 4.45Å; Y282-K327 HydrophobicContact CE1-CB 4.06Å; Y282-K327 HydrophobicContact CE1-CD 4.47Å; Y282-K327 HydrophobicContact CE1-CG 3.9Å; Y282-K327 HydrophobicContact CE2-CB 3.73Å; Y282-K327 HydrophobicContact CE2-CD 4.4Å; Y282-K327 HydrophobicContact CE2-CG 4.22Å; Y282-K327 HydrophobicContact CG-CB 3.69Å; Y282-K327 HydrophobicContact CG-CG 4.4Å
283	K	85.6	Confident	91.4	Very high	119 Å²	119	46.8 Å²	46.8	52%	0.517	23%	0.228	S	C	.	.	H	α-helix	trans	-63.5	-47.9	177.1	-168.6	176.6	179	-178.7	0	110.9	E192 K281 A285 S286 V287 M328	E192-K283 VanDerWaalsContact OE2-CD 3.24Å; E192-K283 WeakPolarHBondContact OE2-CD 3.33Å; E192-K283 WeakPolarHBondContact OE2-CE 3.3Å; E192-K283 IonicContact OE2-NZ 2.88Å; E192-K283 PolarHBondContact OE2-NZ 2.91Å; K281-K283 VanDerWaalsContact C-N 3.35Å; K281-K283 PolarHBondContact O-N 3.36Å; K283-A285 PolarHBondContact O-N 2.81Å; K283-S286 WeakPolarHBondContact O-CB 3.37Å; K283-S286 PolarHBondContact O-N 3.12Å; K283-S286 VanDerWaalsContact O-N 3.15Å; K283-S286 PolarHBondContact O-OG 2.71Å; K283-V287 PolarHBondContact O-N 3Å; K283-V287 VanDerWaalsContact O-N 3.13Å; K283-M328 VanDerWaalsContact CA-SD 3.6Å; K283-M328 HydrophobicContact CB-SD 3.93Å
284	Q	83.6	Confident	91.2	Very high	17 Å²	17	49.7 Å²	49.7	8%	0.079	25%	0.252	C	S	.	.	H	α-helix	trans	-58.7	-47.7	174.7	-59.4	-167.9	-4.6	0	0	112.3	D190 S193 C276 K281 S286 V287 Q288	D190-Q284 VanDerWaalsContact CG-CD 3.47Å; D190-Q284 WeakPolarHBondContact OD1-CG 3.31Å; D190-Q284 PolarHBondContact OD1-NE2 2.87Å; D190-Q284 VanDerWaalsContact OD2-CD 3.26Å; D190-Q284 PolarHBondContact OD2-NE2 3.12Å; S193-Q284 WeakPolarHBondContact OG-CG 3.21Å; S193-Q284 PolarHBondContact OG-NE2 3.06Å; C276-Q284 HydrophobicContact CB-CB 4.05Å; C276-Q284 PolarHBondContact SG-OE1 3.35Å; C276-Q284 VanDerWaalsContact SG-OE1 3.34Å; K281-Q284 HydrophobicContact CB-CB 4.15Å; K281-Q284 HydrophobicContact CB-CG 3.96Å; K281-Q284 WeakPolarHBondContact O-CB 3.49Å; K281-Q284 PolarHBondContact O-N 3.33Å; Q284-S286 PolarHBondContact O-N 3.33Å; Q284-V287 WeakPolarHBondContact O-CB 3.22Å; Q284-V287 PolarHBondContact O-N 2.83Å; Q284-Q288 PolarHBondContact O-N 2.85Å; Q284-Q288 VanDerWaalsContact O-N 3.11Å
285	A	92.4	Very high	91	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-55.4	-42.2	178.1	0	0	0	0	0	110.6	G273 C276 F277 K281 Y282 K283 V287 Q288 Y289	G273-A285 VanDerWaalsContact O-CB 3.3Å; G273-A285 WeakPolarHBondContact O-CB 3.43Å; C276-A285 HydrophobicContact CB-CB 3.93Å; F277-A285 HydrophobicContact CB-CB 3.96Å; K281-A285 PolarHBondContact O-N 3.25Å; Y282-A285 PolarHBondContact O-N 3.24Å; K283-A285 PolarHBondContact O-N 2.81Å; A285-V287 PolarHBondContact O-N 2.85Å; A285-Q288 PolarHBondContact O-N 3.28Å; A285-Y289 HydrophobicContact CB-CD2 4.48Å; A285-Y289 HydrophobicContact CB-CE2 4.01Å; A285-Y289 WeakPolarHBondContact O-CD2 3.45Å; A285-Y289 PolarHBondContact O-N 3.43Å
286	S	91.7	Very high	90.9	Very high	4 Å²	4	45.1 Å²	45.1	3%	0.028	23%	0.227	C	C	.	.	H	α-helix	trans	-62.8	-38.2	176.9	84.6	0	0	0	0	113.3	Y282 K283 Q284 Y289 K290 L321	Y282-S286 PolarHBondContact O-N 3.23Å; K283-S286 WeakPolarHBondContact O-CB 3.37Å; K283-S286 PolarHBondContact O-N 3.12Å; K283-S286 VanDerWaalsContact O-N 3.15Å; K283-S286 PolarHBondContact O-OG 2.71Å; Q284-S286 PolarHBondContact O-N 3.33Å; S286-Y289 PolarHBondContact O-N 2.88Å; S286-K290 WeakPolarHBondContact O-CB 3.46Å; S286-K290 VanDerWaalsContact O-CG 3.27Å; S286-K290 WeakPolarHBondContact O-CG 3.45Å; S286-K290 PolarHBondContact O-N 2.82Å; S286-L321 WeakPolarHBondContact O-CD2 3.06Å
287	V	88.1	Confident	90.9	Very high	34 Å²	34	48 Å²	48	21%	0.206	24%	0.238	C	C	.	.	H	α-helix	trans	-62.2	-45.9	176.2	173.4	0	0	0	0	110.3	K283 Q284 A285 Y289 K290 K291	K283-V287 PolarHBondContact O-N 3Å; K283-V287 VanDerWaalsContact O-N 3.13Å; Q284-V287 WeakPolarHBondContact O-CB 3.22Å; Q284-V287 PolarHBondContact O-N 2.83Å; A285-V287 PolarHBondContact O-N 2.85Å; V287-Y289 PolarHBondContact O-N 2.92Å; V287-K290 PolarHBondContact O-N 2.95Å; V287-K291 PolarHBondContact O-N 2.68Å
288	Q	90.7	Very high	90.4	Very high	17 Å²	17	53 Å²	53	8%	0.079	26%	0.262	C	S	.	.	H	α-helix	trans	-63.4	-42.6	179.6	-60.4	-56.9	-38.9	0	0	112.4	E187 K272 Q284 A285 K291	E187-Q288 PolarHBondContact OE1-NE2 2.84Å; K272-Q288 HydrophobicContact CB-CG 4.44Å; Q284-Q288 PolarHBondContact O-N 2.85Å; Q284-Q288 VanDerWaalsContact O-N 3.11Å; A285-Q288 PolarHBondContact O-N 3.28Å; Q288-K291 WeakPolarHBondContact O-CB 3.26Å; Q288-K291 PolarHBondContact O-N 2.81Å
289	Y	95.5	Very high	89.9	Confident	4 Å²	4	48.1 Å²	48.1	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-71.2	-30.8	178.1	-60.7	-51.6	0	0	0	113.2	K270 G273 T274 A285 S286 V287 K291 I292 V293 N320	K270-Y289 HydrophobicContact CG-CE1 4.29Å; G273-Y289 PolarHBondContact O-OH 3.13Å; T274-Y289 WeakPolarHBondContact CA-OH 3.2Å; T274-Y289 PolarHBondContact N-OH 2.9Å; T274-Y289 PolarHBondContact OG1-OH 3.46Å; A285-Y289 HydrophobicContact CB-CD2 4.48Å; A285-Y289 HydrophobicContact CB-CE2 4.01Å; A285-Y289 WeakPolarHBondContact O-CD2 3.45Å; A285-Y289 PolarHBondContact O-N 3.43Å; S286-Y289 PolarHBondContact O-N 2.88Å; V287-Y289 PolarHBondContact O-N 2.92Å; Y289-K291 VanDerWaalsContact C-N 3.27Å; Y289-K291 PolarHBondContact O-N 3.29Å; Y289-I292 HydrophobicContact CD1-CD1 4.11Å; Y289-I292 WeakPolarHBondContact O-CB 3.34Å; Y289-I292 PolarHBondContact O-N 3.04Å; Y289-V293 PolarHBondContact O-N 3.29Å; Y289-N320 HydrophobicContact CD1-CB 4.11Å; Y289-N320 HydrophobicContact CD2-CB 3.7Å; Y289-N320 HydrophobicContact CE1-CB 3.89Å; Y289-N320 WeakPolarHBondContact CE1-ND2 3.49Å; Y289-N320 HydrophobicContact CE2-CB 3.46Å; Y289-N320 VanDerWaalsContact CE2-CB 3.46Å; Y289-N320 HydrophobicContact CG-CB 4.03Å; Y289-N320 PolarHBondContact OH-ND2 3.45Å
290	K	92.8	Very high	89.7	Confident	102 Å²	102	48.8 Å²	48.8	44%	0.443	25%	0.254	S	S	.	.	H	α-helix	trans	-61.7	-34.6	173.5	-79.7	172.6	-178.4	179.6	0	112.4	S286 V287 I292 V293 A294 L321	S286-K290 WeakPolarHBondContact O-CB 3.46Å; S286-K290 VanDerWaalsContact O-CG 3.27Å; S286-K290 WeakPolarHBondContact O-CG 3.45Å; S286-K290 PolarHBondContact O-N 2.82Å; V287-K290 PolarHBondContact O-N 2.95Å; K290-I292 VanDerWaalsContact C-N 3.3Å; K290-I292 PolarHBondContact O-N 3.14Å; K290-V293 PolarHBondContact O-N 3.23Å; K290-A294 WeakPolarHBondContact O-CB 3.44Å; K290-A294 PolarHBondContact O-N 3.44Å; K290-L321 HydrophobicContact CG-CD1 4.37Å; K290-L321 HydrophobicContact CG-CD2 3.91Å
291	K	90.7	Very high	89.3	Confident	37 Å²	37	51.3 Å²	51.3	16%	0.161	28%	0.279	C	S	.	.	H	α-helix	trans	-57.4	-43.5	174.9	-67.6	179.4	174.1	-175.1	0	111.7	E187 V269 V287 Q288 Y289 V293 A294 W295	E187-K291 VanDerWaalsContact CD-NZ 3.33Å; E187-K291 IonicContact OE1-NZ 2.78Å; E187-K291 PolarHBondContact OE1-NZ 2.94Å; E187-K291 IonicContact OE2-NZ 3.99Å; V269-K291 HydrophobicContact CG1-CD 4.38Å; V269-K291 HydrophobicContact CG2-CB 4.46Å; V287-K291 PolarHBondContact O-N 2.68Å; Q288-K291 WeakPolarHBondContact O-CB 3.26Å; Q288-K291 PolarHBondContact O-N 2.81Å; Y289-K291 VanDerWaalsContact C-N 3.27Å; Y289-K291 PolarHBondContact O-N 3.29Å; K291-V293 VanDerWaalsContact C-N 3.34Å; K291-V293 PolarHBondContact O-N 3.33Å; K291-A294 PolarHBondContact O-N 3.17Å; K291-W295 HydrophobicContact CB-CD2 4.33Å; K291-W295 HydrophobicContact CB-CE3 4.32Å; K291-W295 HydrophobicContact CB-CH2 3.94Å; K291-W295 HydrophobicContact CB-CZ2 3.91Å; K291-W295 HydrophobicContact CB-CZ3 4.12Å; K291-W295 HydrophobicContact CD-CH2 4.23Å; K291-W295 HydrophobicContact CD-CZ2 4.21Å; K291-W295 HydrophobicContact CG-CZ2 4.35Å; K291-W295 WeakPolarHBondContact O-CB 3.24Å; K291-W295 PolarHBondContact O-N 3.11Å
292	I	94.6	Very high	89.4	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.7	-46.3	178	-54.3	172.6	0	0	0	110.9	V269 K270 Y289 K290 W295 L296 L313 A317	V269-I292 HydrophobicContact CG2-CD1 3.98Å; V269-I292 HydrophobicContact CG2-CG1 3.39Å; K270-I292 HydrophobicContact CB-CD1 3.68Å; K270-I292 HydrophobicContact CG-CD1 4.39Å; Y289-I292 HydrophobicContact CD1-CD1 4.11Å; Y289-I292 WeakPolarHBondContact O-CB 3.34Å; Y289-I292 PolarHBondContact O-N 3.04Å; K290-I292 VanDerWaalsContact C-N 3.3Å; K290-I292 PolarHBondContact O-N 3.14Å; I292-W295 PolarHBondContact O-N 3.43Å; I292-L296 HydrophobicContact CG2-CD1 3.88Å; I292-L296 WeakPolarHBondContact O-CB 3.31Å; I292-L296 WeakPolarHBondContact O-CG 3.25Å; I292-L296 PolarHBondContact O-N 2.87Å; I292-L296 VanDerWaalsContact O-N 3.12Å; I292-L313 HydrophobicContact CG2-CB 4.21Å; I292-A317 HydrophobicContact CB-CB 3.85Å; I292-A317 HydrophobicContact CD1-CB 4.02Å; I292-A317 HydrophobicContact CG2-CB 3.86Å
293	V	93.6	Very high	89.4	Confident	15 Å²	15	47.7 Å²	47.7	9%	0.091	27%	0.274	C	S	.	.	H	α-helix	trans	-62	-51.3	178.2	179.8	0	0	0	0	109.5	Y289 K290 K291 W295 L296 E297 A317 L321	Y289-V293 PolarHBondContact O-N 3.29Å; K290-V293 PolarHBondContact O-N 3.23Å; K291-V293 VanDerWaalsContact C-N 3.34Å; K291-V293 PolarHBondContact O-N 3.33Å; V293-W295 VanDerWaalsContact C-N 3.27Å; V293-W295 PolarHBondContact O-N 3.28Å; V293-L296 PolarHBondContact O-N 2.99Å; V293-E297 HydrophobicContact CG1-CB 4.32Å; V293-E297 WeakPolarHBondContact CG1-OE2 3.39Å; V293-E297 WeakPolarHBondContact O-CB 3.39Å; V293-E297 PolarHBondContact O-N 3.44Å; V293-A317 HydrophobicContact CG2-CB 4.01Å; V293-L321 HydrophobicContact CG2-CD1 3.92Å
294	A	90.4	Very high	89.7	Confident	61 Å²	61	48.6 Å²	48.6	50%	0.504	28%	0.284	S	S	.	.	H	α-helix	trans	-58.8	-34.2	-179.6	0	0	0	0	0	113.8	K290 K291	K290-A294 WeakPolarHBondContact O-CB 3.44Å; K290-A294 PolarHBondContact O-N 3.44Å; K291-A294 PolarHBondContact O-N 3.17Å
295	W	91.1	Very high	90.1	Very high	29 Å²	29	53.7 Å²	53.7	11%	0.11	31%	0.308	C	S	.	.	H	α-helix	trans	-79.4	-32	179.2	-62.7	-27	0	0	0	113.7	M257 K262 Q265 V269 K291 I292 V293	M257-W295 HydrophobicContact CE-CD2 3.85Å; M257-W295 VanDerWaalsContact CE-CE2 3.44Å; M257-W295 HydrophobicContact CE-CG 3.91Å; M257-W295 HydrophobicContact CE-CZ2 3.94Å; M257-W295 VanDerWaalsContact CE-NE1 3.27Å; K262-W295 WeakPolarHBondContact CD-O 3.45Å; K262-W295 HydrophobicContact CG-CB 4.28Å; Q265-W295 HydrophobicContact CB-CE3 4.31Å; Q265-W295 HydrophobicContact CB-CH2 4.03Å; Q265-W295 HydrophobicContact CB-CZ3 3.66Å; V269-W295 HydrophobicContact CB-CZ3 4.48Å; V269-W295 HydrophobicContact CG1-CH2 3.76Å; V269-W295 HydrophobicContact CG1-CZ3 3.9Å; V269-W295 HydrophobicContact CG2-CH2 4.38Å; V269-W295 HydrophobicContact CG2-CZ3 3.75Å; K291-W295 HydrophobicContact CB-CD2 4.33Å; K291-W295 HydrophobicContact CB-CE3 4.32Å; K291-W295 HydrophobicContact CB-CH2 3.94Å; K291-W295 HydrophobicContact CB-CZ2 3.91Å; K291-W295 HydrophobicContact CB-CZ3 4.12Å; K291-W295 HydrophobicContact CD-CH2 4.23Å; K291-W295 HydrophobicContact CD-CZ2 4.21Å; K291-W295 HydrophobicContact CG-CZ2 4.35Å; K291-W295 WeakPolarHBondContact O-CB 3.24Å; K291-W295 PolarHBondContact O-N 3.11Å; I292-W295 PolarHBondContact O-N 3.43Å; V293-W295 VanDerWaalsContact C-N 3.27Å; V293-W295 PolarHBondContact O-N 3.28Å
296	L	92.3	Very high	90.1	Very high	2 Å²	2	56 Å²	56	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-112.4	-12.4	-168.4	-59.2	-179	0	0	0	114.6	K262 L263 S266 I292 V293 H298 A310 L313 R314	K262-L296 HydrophobicContact CB-CD2 4.01Å; L263-L296 HydrophobicContact CD2-CD2 4.2Å; S266-L296 WeakPolarHBondContact OG-CD1 3.45Å; I292-L296 HydrophobicContact CG2-CD1 3.88Å; I292-L296 WeakPolarHBondContact O-CB 3.31Å; I292-L296 WeakPolarHBondContact O-CG 3.25Å; I292-L296 PolarHBondContact O-N 2.87Å; I292-L296 VanDerWaalsContact O-N 3.12Å; V293-L296 PolarHBondContact O-N 2.99Å; L296-H298 PolarHBondContact O-N 2.86Å; L296-A310 HydrophobicContact CD1-CB 4.49Å; L296-L313 HydrophobicContact CD1-CB 3.84Å; L296-L313 HydrophobicContact CD1-CD1 4.18Å; L296-R314 HydrophobicContact CB-CG 3.69Å; L296-R314 HydrophobicContact CD1-CG 4.31Å; L296-R314 WeakPolarHBondContact O-CD 3.37Å
297	E	87.8	Confident	90.1	Very high	79 Å²	79	58.9 Å²	58.9	37%	0.369	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-40.3	-173.7	-177.9	163.3	-155.7	0	0	112.8	V293	V293-E297 HydrophobicContact CG1-CB 4.32Å; V293-E297 WeakPolarHBondContact CG1-OE2 3.39Å; V293-E297 WeakPolarHBondContact O-CB 3.39Å; V293-E297 PolarHBondContact O-N 3.44Å
298	H	85.9	Confident	90.3	Very high	158 Å²	158	64.7 Å²	64.7	73%	0.731	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	7	-176.9	-59.8	-54.7	0	0	0	114.1	L296 S300	L296-H298 PolarHBondContact O-N 2.86Å; H298-S300 PolarHBondContact O-N 3.44Å
299	E	85.5	Confident	90.5	Very high	44 Å²	44	68.2 Å²	68.2	21%	0.206	37%	0.371	C	S	.	.			trans	-71.3	129.8	178.6	-144.3	72.2	166.8	0	0	109.9	K262 L302	K262-E299 WeakPolarHBondContact CD-OE1 3.39Å; K262-E299 IonicContact NZ-OE1 2.66Å; K262-E299 PolarHBondContact NZ-OE1 3.42Å; K262-E299 IonicContact NZ-OE2 2.68Å; K262-E299 PolarHBondContact NZ-OE2 3.08Å; E299-L302 HydrophobicContact CB-CD1 4.31Å; E299-L302 HydrophobicContact CG-CD1 4.33Å; E299-L302 HydrophobicContact CG-CD2 3.97Å; E299-L302 HydrophobicContact CG-CG 4.34Å
300	S	83.6	Confident	90.4	Very high	106 Å²	106	68 Å²	68	74%	0.741	37%	0.37	S	S	*	.			trans	-138.7	162.5	-178.3	62.7	0	0	0	0	110.5	H298 L302	H298-S300 PolarHBondContact O-N 3.44Å; S300-L302 VanDerWaalsContact C-N 3.3Å; S300-L302 PolarHBondContact O-N 2.99Å
301	G	82.3	Confident	90.5	Very high	87 Å²	87	67.6 Å²	67.6	90%	0.897	37%	0.368	S	S	*	.	S	Bend	trans	73.2	21.8	-177.4	0	0	0	0	0	114.1
302	L	87.4	Confident	90.7	Very high	27 Å²	27	68.7 Å²	68.7	14%	0.141	38%	0.384	C	S	.	.			trans	-70	153.3	175.4	-62.4	-177	0	0	0	111.5	T259 E299 S300 D306 E307 A310	T259-L302 HydrophobicContact CG2-CD2 3.13Å; E299-L302 HydrophobicContact CB-CD1 4.31Å; E299-L302 HydrophobicContact CG-CD1 4.33Å; E299-L302 HydrophobicContact CG-CD2 3.97Å; E299-L302 HydrophobicContact CG-CG 4.34Å; S300-L302 VanDerWaalsContact C-N 3.3Å; S300-L302 PolarHBondContact O-N 2.99Å; L302-D306 HydrophobicContact CB-CB 4.33Å; L302-E307 HydrophobicContact CB-CB 4.13Å; L302-E307 WeakPolarHBondContact CD1-OE2 3.16Å; L302-A310 HydrophobicContact CD1-CB 3.82Å
303	S	91.8	Very high	90.8	Very high	59 Å²	59	69.9 Å²	69.9	41%	0.413	39%	0.391	S	S	.	.			trans	-62.8	155.3	167.1	78.3	0	0	0	0	110.2	E305 D306 E307	S303-E305 PolarHBondContact O-N 3.32Å; S303-E305 VanDerWaalsContact O-N 3.11Å; S303-D306 PolarHBondContact O-N 3.32Å; S303-D306 VanDerWaalsContact O-N 3.09Å; S303-D306 WeakPolarHBondContact OG-CB 2.81Å; S303-D306 PolarHBondContact OG-N 2.98Å; S303-D306 VanDerWaalsContact OG-N 3.16Å; S303-D306 PolarHBondContact OG-OD2 3.12Å; S303-E307 WeakPolarHBondContact O-CB 3.5Å; S303-E307 PolarHBondContact O-N 2.58Å
304	D	91.1	Very high	91	Very high	138 Å²	138	70.9 Å²	70.9	74%	0.738	39%	0.393	S	S	*	.	H	α-helix	trans	-56.8	-30.7	178.8	-74.6	-15.8	0	0	0	113.2	K308	D304-K308 WeakPolarHBondContact O-CD 3.41Å; D304-K308 VanDerWaalsContact O-CG 3.3Å; D304-K308 WeakPolarHBondContact O-CG 3.4Å; D304-K308 PolarHBondContact O-N 2.82Å
305	E	92.2	Very high	91.3	Very high	125 Å²	125	69.5 Å²	69.5	58%	0.584	38%	0.377	S	S	*	.	H	α-helix	trans	-74.5	-44.5	177.2	-165.6	-172.7	148.5	0	0	111.4	S303 K308 K309	S303-E305 PolarHBondContact O-N 3.32Å; S303-E305 VanDerWaalsContact O-N 3.11Å; E305-K308 PolarHBondContact O-N 3.36Å; E305-K309 WeakPolarHBondContact O-CG 3.37Å; E305-K309 PolarHBondContact O-N 2.93Å; E305-K309 VanDerWaalsContact O-N 3.13Å; E305-K309 VanDerWaalsContact OE1-CE 3.29Å; E305-K309 WeakPolarHBondContact OE1-CE 3.42Å; E305-K309 IonicContact OE1-NZ 2.72Å; E305-K309 PolarHBondContact OE1-NZ 3.49Å
306	D	92.3	Very high	91.6	Very high	47 Å²	47	69.1 Å²	69.1	25%	0.251	38%	0.38	S	S	.	.	H	α-helix	trans	-71.9	-35.1	-179	-65.7	-35.9	0	0	0	111.9	L263 L302 S303 K308 K309 A310	L263-D306 HydrophobicContact CD1-CB 3.89Å; L302-D306 HydrophobicContact CB-CB 4.33Å; S303-D306 PolarHBondContact O-N 3.32Å; S303-D306 VanDerWaalsContact O-N 3.09Å; S303-D306 WeakPolarHBondContact OG-CB 2.81Å; S303-D306 PolarHBondContact OG-N 2.98Å; S303-D306 VanDerWaalsContact OG-N 3.16Å; S303-D306 PolarHBondContact OG-OD2 3.12Å; D306-K308 VanDerWaalsContact C-N 3.31Å; D306-K308 PolarHBondContact O-N 3.19Å; D306-K309 PolarHBondContact O-N 2.74Å; D306-K309 IonicContact OD1-NZ 3.78Å; D306-A310 VanDerWaalsContact O-CB 3.32Å; D306-A310 WeakPolarHBondContact O-CB 3.21Å; D306-A310 PolarHBondContact O-N 2.95Å
307	E	92.8	Very high	91.9	Very high	66 Å²	66	69 Å²	69	31%	0.308	38%	0.379	S	S	.	.	H	α-helix	trans	-61.4	-40.8	172.9	-177	57	-140.8	0	0	110.9	L302 S303 A310 K311 R314	L302-E307 HydrophobicContact CB-CB 4.13Å; L302-E307 WeakPolarHBondContact CD1-OE2 3.16Å; S303-E307 WeakPolarHBondContact O-CB 3.5Å; S303-E307 PolarHBondContact O-N 2.58Å; E307-A310 PolarHBondContact O-N 3.32Å; E307-K311 WeakPolarHBondContact O-CB 3.5Å; E307-K311 PolarHBondContact O-N 3.42Å; E307-R314 IonicContact OE1-NH2 2.73Å; E307-R314 PolarHBondContact OE1-NH2 2.92Å
308	K	92.9	Very high	92.4	Very high	155 Å²	155	65.9 Å²	65.9	67%	0.674	36%	0.364	S	S	*	.	H	α-helix	trans	-63.1	-43.1	174.6	-74.6	171.9	-172.9	171.4	0	111.6	D304 E305 D306 A312	D304-K308 WeakPolarHBondContact O-CD 3.41Å; D304-K308 VanDerWaalsContact O-CG 3.3Å; D304-K308 WeakPolarHBondContact O-CG 3.4Å; D304-K308 PolarHBondContact O-N 2.82Å; E305-K308 PolarHBondContact O-N 3.36Å; D306-K308 VanDerWaalsContact C-N 3.31Å; D306-K308 PolarHBondContact O-N 3.19Å; K308-A312 WeakPolarHBondContact O-CB 3.45Å; K308-A312 PolarHBondContact O-N 2.88Å
309	K	93.7	Very high	93	Very high	92 Å²	92	59.1 Å²	59.1	40%	0.4	33%	0.334	S	S	.	.	H	α-helix	trans	-63.7	-47.9	176.2	-69.8	172.1	-171.6	159	0	111.2	L263 E305 D306 K311 A312 L313	L263-K309 HydrophobicContact CD2-CB 4.24Å; E305-K309 WeakPolarHBondContact O-CG 3.37Å; E305-K309 PolarHBondContact O-N 2.93Å; E305-K309 VanDerWaalsContact O-N 3.13Å; E305-K309 VanDerWaalsContact OE1-CE 3.29Å; E305-K309 WeakPolarHBondContact OE1-CE 3.42Å; E305-K309 IonicContact OE1-NZ 2.72Å; E305-K309 PolarHBondContact OE1-NZ 3.49Å; D306-K309 PolarHBondContact O-N 2.74Å; D306-K309 IonicContact OD1-NZ 3.78Å; K309-K311 PolarHBondContact O-N 3.43Å; K309-A312 PolarHBondContact O-N 2.93Å; K309-L313 WeakPolarHBondContact O-CG 3.38Å; K309-L313 PolarHBondContact O-N 3.21Å
310	A	94.1	Very high	93.6	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60	-45.6	177.9	0	0	0	0	0	111.3	L263 L296 L302 D306 E307 A312 L313 R314	L263-A310 HydrophobicContact CD2-CB 3.94Å; L296-A310 HydrophobicContact CD1-CB 4.49Å; L302-A310 HydrophobicContact CD1-CB 3.82Å; D306-A310 VanDerWaalsContact O-CB 3.32Å; D306-A310 WeakPolarHBondContact O-CB 3.21Å; D306-A310 PolarHBondContact O-N 2.95Å; E307-A310 PolarHBondContact O-N 3.32Å; A310-A312 PolarHBondContact O-N 2.92Å; A310-L313 PolarHBondContact O-N 2.97Å; A310-R314 WeakPolarHBondContact O-CB 3.48Å; A310-R314 WeakPolarHBondContact O-CG 3.11Å; A310-R314 PolarHBondContact O-N 3.49Å
311	K	94.4	Very high	94.3	Very high	93 Å²	93	54 Å²	54	40%	0.404	30%	0.299	S	S	.	.	H	α-helix	trans	-61	-44.2	176.2	-174.4	176.5	-179.9	178.9	0	111.7	E307 K309 L313 R314 L315 M344	E307-K311 WeakPolarHBondContact O-CB 3.5Å; E307-K311 PolarHBondContact O-N 3.42Å; K309-K311 PolarHBondContact O-N 3.43Å; K311-L313 PolarHBondContact O-N 3.49Å; K311-R314 PolarHBondContact O-N 3.43Å; K311-L315 WeakPolarHBondContact O-CB 3.33Å; K311-L315 PolarHBondContact O-N 3.42Å; K311-M344 HydrophobicContact CB-CE 4.44Å; K311-M344 WeakPolarHBondContact CE-O 3.45Å; K311-M344 HydrophobicContact CG-CE 3.87Å; K311-M344 PolarHBondContact NZ-O 3.29Å
312	A	95.6	Very high	95.1	Very high	60 Å²	60	49.9 Å²	49.9	50%	0.496	26%	0.257	S	S	.	.	H	α-helix	trans	-63.8	-40.1	177.7	0	0	0	0	0	112.5	K308 K309 A310 A316	K308-A312 WeakPolarHBondContact O-CB 3.45Å; K308-A312 PolarHBondContact O-N 2.88Å; K309-A312 PolarHBondContact O-N 2.93Å; A310-A312 PolarHBondContact O-N 2.92Å; A312-A316 WeakPolarHBondContact O-CB 3.31Å; A312-A316 PolarHBondContact O-N 3.12Å
313	L	96.9	Very high	95.6	Very high	25 Å²	25	50.5 Å²	50.5	13%	0.131	26%	0.259	C	S	.	.	H	α-helix	trans	-66.8	-47.1	176.4	-76.2	165.8	0	0	0	112	L263 K270 I292 L296 K309 A310 K311 A316 A317	L263-L313 HydrophobicContact CD2-CD1 3.9Å; K270-L313 HydrophobicContact CD-CD2 4.14Å; I292-L313 HydrophobicContact CG2-CB 4.21Å; L296-L313 HydrophobicContact CD1-CB 3.84Å; L296-L313 HydrophobicContact CD1-CD1 4.18Å; K309-L313 WeakPolarHBondContact O-CG 3.38Å; K309-L313 PolarHBondContact O-N 3.21Å; A310-L313 PolarHBondContact O-N 2.97Å; K311-L313 PolarHBondContact O-N 3.49Å; L313-A316 PolarHBondContact O-N 2.65Å; L313-A317 WeakPolarHBondContact O-CB 3.4Å; L313-A317 PolarHBondContact O-N 3.47Å
314	R	96.4	Very high	95.9	Very high	36 Å²	36	47.7 Å²	47.7	14%	0.136	24%	0.239	C	C	.	.	H	α-helix	trans	-59.3	-46.7	175.8	-76.7	-175.2	-72.4	174.5	-1.8	112	L296 E307 A310 K311 A316 A317 H318 M344	L296-R314 HydrophobicContact CB-CG 3.69Å; L296-R314 HydrophobicContact CD1-CG 4.31Å; L296-R314 WeakPolarHBondContact O-CD 3.37Å; E307-R314 IonicContact OE1-NH2 2.73Å; E307-R314 PolarHBondContact OE1-NH2 2.92Å; A310-R314 WeakPolarHBondContact O-CB 3.48Å; A310-R314 WeakPolarHBondContact O-CG 3.11Å; A310-R314 PolarHBondContact O-N 3.49Å; K311-R314 PolarHBondContact O-N 3.43Å; R314-A316 VanDerWaalsContact C-N 3.34Å; R314-A316 PolarHBondContact O-N 3.15Å; R314-A317 PolarHBondContact O-N 3.36Å; R314-H318 PolarHBondContact O-CD2 3.01Å; R314-H318 PolarHBondContact O-N 3.41Å; R314-M344 HydrophobicContact CB-CE 3.44Å; R314-M344 VanDerWaalsContact CB-CE 3.44Å; R314-M344 HydrophobicContact CB-SD 3.84Å; R314-M344 HydrophobicContact CG-CE 4.24Å
315	L	97.3	Very high	96.2	Very high	32 Å²	32	41.3 Å²	41.3	17%	0.168	21%	0.205	C	C	.	.	H	α-helix	trans	-58.7	-46.4	176.2	177.3	60.8	0	0	0	111.2	K311 A317 L319 A341 M344 D345	K311-L315 WeakPolarHBondContact O-CB 3.33Å; K311-L315 PolarHBondContact O-N 3.42Å; L315-A317 VanDerWaalsContact C-N 3.35Å; L315-A317 PolarHBondContact O-N 2.98Å; L315-L319 HydrophobicContact CD1-CD1 4.15Å; L315-L319 HydrophobicContact CD1-CG 4.27Å; L315-L319 HydrophobicContact CG-CD1 4.13Å; L315-L319 WeakPolarHBondContact O-CB 3.37Å; L315-L319 VanDerWaalsContact O-CG 3.25Å; L315-L319 WeakPolarHBondContact O-CG 3.3Å; L315-L319 PolarHBondContact O-N 3.3Å; L315-A341 HydrophobicContact CD1-CB 3.78Å; L315-A341 WeakPolarHBondContact CD1-O 3.45Å; L315-M344 HydrophobicContact CB-SD 4.24Å; L315-M344 HydrophobicContact CD1-CB 4.46Å; L315-D345 HydrophobicContact CD1-CB 4.28Å; L315-D345 HydrophobicContact CD2-CB 3.96Å
316	A	97.8	Very high	96.4	Very high	21 Å²	21	37 Å²	37	17%	0.174	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-40.8	177.1	0	0	0	0	0	112.3	A312 L313 R314 N320	A312-A316 WeakPolarHBondContact O-CB 3.31Å; A312-A316 PolarHBondContact O-N 3.12Å; L313-A316 PolarHBondContact O-N 2.65Å; R314-A316 VanDerWaalsContact C-N 3.34Å; R314-A316 PolarHBondContact O-N 3.15Å; A316-N320 WeakPolarHBondContact O-CB 3.45Å; A316-N320 PolarHBondContact O-N 3.09Å; A316-N320 PolarHBondContact O-ND2 3.13Å
317	A	98	Very high	96.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62	-51.5	178.2	0	0	0	0	0	111.5	I292 V293 L313 R314 L315 L319 N320 L321	I292-A317 HydrophobicContact CB-CB 3.85Å; I292-A317 HydrophobicContact CD1-CB 4.02Å; I292-A317 HydrophobicContact CG2-CB 3.86Å; V293-A317 HydrophobicContact CG2-CB 4.01Å; L313-A317 WeakPolarHBondContact O-CB 3.4Å; L313-A317 PolarHBondContact O-N 3.47Å; R314-A317 PolarHBondContact O-N 3.36Å; L315-A317 VanDerWaalsContact C-N 3.35Å; L315-A317 PolarHBondContact O-N 2.98Å; A317-L319 PolarHBondContact O-N 2.84Å; A317-N320 PolarHBondContact O-N 3.49Å; A317-L321 WeakPolarHBondContact O-CB 3.5Å; A317-L321 WeakPolarHBondContact O-CG 3.43Å; A317-L321 PolarHBondContact O-N 3.05Å
318	H	98.4	Very high	96.8	Very high	13 Å²	13	38.6 Å²	38.6	6%	0.06	19%	0.191	C	C	.	.	H	α-helix	trans	-61.1	-43.6	177.6	-78.1	-57.3	0	0	0	112.8	R314 N320 L321 A322 N337 A341	R314-H318 PolarHBondContact O-CD2 3.01Å; R314-H318 PolarHBondContact O-N 3.41Å; H318-N320 VanDerWaalsContact C-N 3.33Å; H318-N320 PolarHBondContact O-N 3.09Å; H318-L321 PolarHBondContact O-N 2.77Å; H318-A322 WeakPolarHBondContact O-CB 3.49Å; H318-A322 PolarHBondContact O-N 3.41Å; H318-N337 PolarHBondContact ND1-OD1 3.36Å; H318-A341 HydrophobicContact CB-CB 4.12Å
319	L	98.4	Very high	96.9	Very high	16 Å²	16	39.2 Å²	39.2	8%	0.084	20%	0.196	C	C	.	.	H	α-helix	trans	-58	-47.2	175	-75.9	175.6	0	0	0	111.2	L315 A317 A322 M323 A341 K350 A351 R354	L315-L319 HydrophobicContact CD1-CD1 4.15Å; L315-L319 HydrophobicContact CD1-CG 4.27Å; L315-L319 HydrophobicContact CG-CD1 4.13Å; L315-L319 WeakPolarHBondContact O-CB 3.37Å; L315-L319 VanDerWaalsContact O-CG 3.25Å; L315-L319 WeakPolarHBondContact O-CG 3.3Å; L315-L319 PolarHBondContact O-N 3.3Å; A317-L319 PolarHBondContact O-N 2.84Å; L319-A322 PolarHBondContact O-N 3.38Å; L319-M323 PolarHBondContact O-N 3.44Å; L319-M323 VanDerWaalsContact O-N 3.15Å; L319-A341 HydrophobicContact CD2-CB 4.08Å; L319-A341 HydrophobicContact CG-CB 4.22Å; L319-K350 HydrophobicContact CD1-CB 4.44Å; L319-K350 HydrophobicContact CD2-CB 3.85Å; L319-A351 HydrophobicContact CD2-CB 3.71Å; L319-R354 PolarHBondContact O-NH1 2.74Å
320	N	98.4	Very high	97	Very high	39 Å²	39	38 Å²	38	21%	0.209	19%	0.192	C	C	.	.	H	α-helix	trans	-69.8	-36.8	-179.1	-70.4	-17.2	0	0	0	112.4	Y289 A316 A317 H318 M323 C324	Y289-N320 HydrophobicContact CD1-CB 4.11Å; Y289-N320 HydrophobicContact CD2-CB 3.7Å; Y289-N320 HydrophobicContact CE1-CB 3.89Å; Y289-N320 WeakPolarHBondContact CE1-ND2 3.49Å; Y289-N320 HydrophobicContact CE2-CB 3.46Å; Y289-N320 VanDerWaalsContact CE2-CB 3.46Å; Y289-N320 HydrophobicContact CG-CB 4.03Å; Y289-N320 PolarHBondContact OH-ND2 3.45Å; A316-N320 WeakPolarHBondContact O-CB 3.45Å; A316-N320 PolarHBondContact O-N 3.09Å; A316-N320 PolarHBondContact O-ND2 3.13Å; A317-N320 PolarHBondContact O-N 3.49Å; H318-N320 VanDerWaalsContact C-N 3.33Å; H318-N320 PolarHBondContact O-N 3.09Å; N320-M323 WeakPolarHBondContact O-CB 3.42Å; N320-M323 PolarHBondContact O-N 2.91Å; N320-C324 PolarHBondContact O-N 3.27Å; N320-C324 PolarHBondContact O-SG 3.21Å
321	L	98.2	Very high	97.2	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-58.4	-48.9	171.4	-78.7	167.5	0	0	0	111.4	S286 K290 V293 A317 H318 M323 C324 F325 N337	S286-L321 WeakPolarHBondContact O-CD2 3.06Å; K290-L321 HydrophobicContact CG-CD1 4.37Å; K290-L321 HydrophobicContact CG-CD2 3.91Å; V293-L321 HydrophobicContact CG2-CD1 3.92Å; A317-L321 WeakPolarHBondContact O-CB 3.5Å; A317-L321 WeakPolarHBondContact O-CG 3.43Å; A317-L321 PolarHBondContact O-N 3.05Å; H318-L321 PolarHBondContact O-N 2.77Å; L321-M323 PolarHBondContact O-N 3.02Å; L321-C324 WeakPolarHBondContact O-CB 3.26Å; L321-C324 PolarHBondContact O-N 2.97Å; L321-F325 HydrophobicContact CB-CD2 4.38Å; L321-F325 HydrophobicContact CB-CE2 4.14Å; L321-F325 HydrophobicContact CD2-CE2 4.09Å; L321-F325 HydrophobicContact CD2-CZ 4.45Å; L321-F325 WeakPolarHBondContact O-CD2 3.42Å; L321-F325 PolarHBondContact O-N 3.25Å; L321-N337 HydrophobicContact CB-CB 4.27Å; L321-N337 WeakPolarHBondContact CB-OD1 3.42Å; L321-N337 WeakPolarHBondContact CD1-OD1 3.33Å
322	A	98.4	Very high	97.3	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-56	-41.6	176.4	0	0	0	0	0	111.7	H318 L319 F325 L326 N337 C338	H318-A322 WeakPolarHBondContact O-CB 3.49Å; H318-A322 PolarHBondContact O-N 3.41Å; L319-A322 PolarHBondContact O-N 3.38Å; A322-F325 PolarHBondContact O-N 3.06Å; A322-L326 VanDerWaalsContact O-CG 3.31Å; A322-L326 WeakPolarHBondContact O-CG 3.4Å; A322-L326 PolarHBondContact O-N 3.45Å; A322-N337 HydrophobicContact CB-CB 4.02Å; A322-C338 WeakPolarHBondContact CB-SG 3.34Å
323	M	98.3	Very high	97.4	Very high	39 Å²	39	41.2 Å²	41.2	19%	0.192	20%	0.203	C	C	.	.	H	α-helix	trans	-64.9	-41.3	175.6	-165.4	70.2	-140.6	0	0	112.7	F277 L319 N320 L321 L326 K327	F277-M323 HydrophobicContact CE1-CG 4.47Å; F277-M323 HydrophobicContact CE2-CB 4.23Å; F277-M323 HydrophobicContact CE2-CG 3.73Å; F277-M323 HydrophobicContact CZ-CB 4.41Å; F277-M323 HydrophobicContact CZ-CE 4.47Å; F277-M323 HydrophobicContact CZ-CG 3.46Å; F277-M323 VanDerWaalsContact CZ-CG 3.46Å; L319-M323 PolarHBondContact O-N 3.44Å; L319-M323 VanDerWaalsContact O-N 3.15Å; N320-M323 WeakPolarHBondContact O-CB 3.42Å; N320-M323 PolarHBondContact O-N 2.91Å; L321-M323 PolarHBondContact O-N 3.02Å; M323-L326 PolarHBondContact O-N 3.11Å; M323-K327 HydrophobicContact CE-CD 4.29Å; M323-K327 HydrophobicContact CE-CG 4.15Å; M323-K327 WeakPolarHBondContact O-CG 3.34Å; M323-K327 PolarHBondContact O-N 2.59Å; M323-K327 VanDerWaalsContact O-N 3.12Å
324	C	97.5	Very high	97.5	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.5	-47.6	175.8	-63.1	0	0	0	0	110.6	N320 L321 L326 K327 M328	N320-C324 PolarHBondContact O-N 3.27Å; N320-C324 PolarHBondContact O-SG 3.21Å; L321-C324 WeakPolarHBondContact O-CB 3.26Å; L321-C324 PolarHBondContact O-N 2.97Å; C324-L326 PolarHBondContact O-N 3.03Å; C324-K327 WeakPolarHBondContact O-CB 3.35Å; C324-K327 PolarHBondContact O-N 3.44Å; C324-K327 VanDerWaalsContact O-N 3.12Å; C324-M328 HydrophobicContact CB-CE 4.27Å; C324-M328 WeakPolarHBondContact O-CG 3.47Å; C324-M328 PolarHBondContact O-N 2.71Å
325	F	97.8	Very high	97.5	Very high	5 Å²	5	41 Å²	41	2%	0.022	20%	0.202	C	C	.	.	H	α-helix	trans	-66.3	-36.9	-179.3	-69.3	-53	0	0	0	113.1	L321 A322 K327 M328 H329 E330 K333 A334 N337	L321-F325 HydrophobicContact CB-CD2 4.38Å; L321-F325 HydrophobicContact CB-CE2 4.14Å; L321-F325 HydrophobicContact CD2-CE2 4.09Å; L321-F325 HydrophobicContact CD2-CZ 4.45Å; L321-F325 WeakPolarHBondContact O-CD2 3.42Å; L321-F325 PolarHBondContact O-N 3.25Å; A322-F325 PolarHBondContact O-N 3.06Å; F325-K327 VanDerWaalsContact C-N 3.3Å; F325-K327 PolarHBondContact O-N 3.29Å; F325-M328 HydrophobicContact CD1-CE 3.39Å; F325-M328 HydrophobicContact CE1-CE 3.68Å; F325-M328 HydrophobicContact CG-CE 4.31Å; F325-M328 CarbonylContact O-C 3.51Å; F325-M328 PolarHBondContact O-N 2.7Å; F325-H329 PolarHBondContact O-N 2.68Å; F325-H329 VanDerWaalsContact O-N 3.12Å; F325-E330 HydrophobicContact CB-CB 4.34Å; F325-E330 HydrophobicContact CD1-CB 4.21Å; F325-E330 WeakPolarHBondContact CD1-OE2 3.41Å; F325-E330 WeakPolarHBondContact CE1-OE2 3.43Å; F325-E330 PolarHBondContact O-N 2.92Å; F325-K333 HydrophobicContact CB-CB 4.22Å; F325-K333 HydrophobicContact CD1-CB 3.79Å; F325-K333 HydrophobicContact CD1-CD 3.9Å; F325-K333 HydrophobicContact CD1-CG 4.49Å; F325-K333 HydrophobicContact CD2-CB 3.65Å; F325-K333 HydrophobicContact CE1-CB 4.04Å; F325-K333 HydrophobicContact CE1-CD 3.55Å; F325-K333 HydrophobicContact CE1-CG 4.46Å; F325-K333 HydrophobicContact CE2-CB 3.88Å; F325-K333 HydrophobicContact CG-CB 3.62Å; F325-K333 HydrophobicContact CZ-CB 4.08Å; F325-K333 HydrophobicContact CZ-CD 3.92Å; F325-A334 HydrophobicContact CB-CB 3.82Å; F325-N337 WeakPolarHBondContact CE2-ND2 3.4Å
326	L	97.7	Very high	97.6	Very high	34 Å²	34	45 Å²	45	18%	0.178	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-40.7	170.6	-73.4	172.4	0	0	0	111.9	A322 M323 C324 M328 H329 A334 R354 E357 A358	A322-L326 VanDerWaalsContact O-CG 3.31Å; A322-L326 WeakPolarHBondContact O-CG 3.4Å; A322-L326 PolarHBondContact O-N 3.45Å; M323-L326 PolarHBondContact O-N 3.11Å; C324-L326 PolarHBondContact O-N 3.03Å; L326-M328 VanDerWaalsContact C-N 3.31Å; L326-M328 PolarHBondContact O-N 2.92Å; L326-H329 PolarHBondContact O-N 3.46Å; L326-A334 HydrophobicContact CD2-CB 3.95Å; L326-A334 HydrophobicContact CG-CB 3.84Å; L326-R354 HydrophobicContact CD1-CB 3.89Å; L326-R354 HydrophobicContact CD1-CG 3.95Å; L326-E357 HydrophobicContact CD1-CB 4.24Å; L326-E357 HydrophobicContact CD2-CB 4.12Å; L326-A358 HydrophobicContact CD2-CB 4.1Å
327	K	97.4	Very high	97.6	Very high	96 Å²	96	45 Å²	45	42%	0.417	22%	0.217	S	C	.	.	H	α-helix	trans	-69.3	-27.1	176.1	-70.5	-63.3	-173.4	-176.7	0	113.7	F277 Y282 M323 C324 F325 H329	F277-K327 HydrophobicContact CE2-CG 4.2Å; F277-K327 HydrophobicContact CZ-CG 4.16Å; Y282-K327 HydrophobicContact CD1-CB 3.92Å; Y282-K327 HydrophobicContact CD1-CG 4.13Å; Y282-K327 HydrophobicContact CD2-CB 3.6Å; Y282-K327 HydrophobicContact CD2-CG 4.45Å; Y282-K327 HydrophobicContact CE1-CB 4.06Å; Y282-K327 HydrophobicContact CE1-CD 4.47Å; Y282-K327 HydrophobicContact CE1-CG 3.9Å; Y282-K327 HydrophobicContact CE2-CB 3.73Å; Y282-K327 HydrophobicContact CE2-CD 4.4Å; Y282-K327 HydrophobicContact CE2-CG 4.22Å; Y282-K327 HydrophobicContact CG-CB 3.69Å; Y282-K327 HydrophobicContact CG-CG 4.4Å; M323-K327 HydrophobicContact CE-CD 4.29Å; M323-K327 HydrophobicContact CE-CG 4.15Å; M323-K327 WeakPolarHBondContact O-CG 3.34Å; M323-K327 PolarHBondContact O-N 2.59Å; M323-K327 VanDerWaalsContact O-N 3.12Å; C324-K327 WeakPolarHBondContact O-CB 3.35Å; C324-K327 PolarHBondContact O-N 3.44Å; C324-K327 VanDerWaalsContact O-N 3.12Å; F325-K327 VanDerWaalsContact C-N 3.3Å; F325-K327 PolarHBondContact O-N 3.29Å; K327-H329 VanDerWaalsContact C-N 3.33Å
328	M	94.5	Very high	97.6	Very high	50 Å²	50	45 Å²	45	25%	0.246	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	5.8	176.3	-64.4	-175.8	-61	0	0	113.3	K283 C324 F325 L326 E330	K283-M328 VanDerWaalsContact CA-SD 3.6Å; K283-M328 HydrophobicContact CB-SD 3.93Å; C324-M328 HydrophobicContact CB-CE 4.27Å; C324-M328 WeakPolarHBondContact O-CG 3.47Å; C324-M328 PolarHBondContact O-N 2.71Å; F325-M328 HydrophobicContact CD1-CE 3.39Å; F325-M328 HydrophobicContact CE1-CE 3.68Å; F325-M328 HydrophobicContact CG-CE 4.31Å; F325-M328 CarbonylContact O-C 3.51Å; F325-M328 PolarHBondContact O-N 2.7Å; L326-M328 VanDerWaalsContact C-N 3.31Å; L326-M328 PolarHBondContact O-N 2.92Å; M328-E330 VanDerWaalsContact C-N 3.27Å; M328-E330 HydrophobicContact CB-CG 4.32Å; M328-E330 PolarHBondContact O-N 3.37Å
329	H	95.8	Very high	97.6	Very high	168 Å²	168	46.6 Å²	46.6	78%	0.778	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	34.7	-177.1	-56.8	-75.8	0	0	0	114.1	F325 L326 K327 P331	F325-H329 PolarHBondContact O-N 2.68Å; F325-H329 VanDerWaalsContact O-N 3.12Å; L326-H329 PolarHBondContact O-N 3.46Å; K327-H329 VanDerWaalsContact C-N 3.33Å; H329-P331 VanDerWaalsContact C-CD 3.41Å; H329-P331 WeakPolarHBondContact O-CD 3.12Å
330	E	96	Very high	97.5	Very high	68 Å²	68	49.4 Å²	49.4	32%	0.318	24%	0.237	S	C	.	.			trans	-109.3	73.2	176.3	-62.6	-168.5	143.2	0	0	110.6	F325 M328 N332 K333 A334	F325-E330 HydrophobicContact CB-CB 4.34Å; F325-E330 HydrophobicContact CD1-CB 4.21Å; F325-E330 WeakPolarHBondContact CD1-OE2 3.41Å; F325-E330 WeakPolarHBondContact CE1-OE2 3.43Å; F325-E330 PolarHBondContact O-N 2.92Å; M328-E330 VanDerWaalsContact C-N 3.27Å; M328-E330 HydrophobicContact CB-CG 4.32Å; M328-E330 PolarHBondContact O-N 3.37Å; E330-N332 VanDerWaalsContact C-N 3.29Å; E330-N332 PolarHBondContact O-N 3.07Å; E330-K333 PolarHBondContact O-N 2.95Å; E330-K333 IonicContact OE1-NZ 3.74Å; E330-K333 PolarHBondContact OE1-NZ 3.3Å; E330-K333 VanDerWaalsContact OE2-CD 3.26Å; E330-K333 WeakPolarHBondContact OE2-CD 3.32Å; E330-K333 WeakPolarHBondContact OE2-CE 3.48Å; E330-K333 IonicContact OE2-NZ 2.74Å; E330-K333 PolarHBondContact OE2-NZ 3.41Å; E330-A334 PolarHBondContact O-N 3.22Å
331	P	97.3	Very high	97.5	Very high	32 Å²	32	47.6 Å²	47.6	21%	0.208	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-32.2	-170.5	25.9	-35.4	0	0	0	113.2	H329 K333 A334 F335 A358 M362	H329-P331 VanDerWaalsContact C-CD 3.41Å; H329-P331 WeakPolarHBondContact O-CD 3.12Å; P331-K333 PolarHBondContact O-N 3.05Å; P331-A334 WeakPolarHBondContact O-CB 3.46Å; P331-A334 PolarHBondContact O-N 3.29Å; P331-F335 WeakPolarHBondContact O-CB 2.95Å; P331-F335 PolarHBondContact O-N 3.01Å; P331-A358 HydrophobicContact CB-CB 4.43Å; P331-A358 WeakPolarHBondContact CB-O 3.27Å; P331-M362 HydrophobicContact CB-CE 3.86Å; P331-M362 HydrophobicContact CB-CG 3.94Å; P331-M362 HydrophobicContact CG-CG 4.08Å; P331-M362 WeakPolarHBondContact O-CE 3.38Å
332	N	97.3	Very high	97.5	Very high	103 Å²	103	48.2 Å²	48.2	55%	0.551	23%	0.231	S	C	*	.	H	α-helix	trans	-60.6	-48.4	-179.6	-68.4	-37.1	0	0	0	111.7	E330 A334 F335 E336 M362	E330-N332 VanDerWaalsContact C-N 3.29Å; E330-N332 PolarHBondContact O-N 3.07Å; N332-A334 VanDerWaalsContact C-N 3.31Å; N332-A334 PolarHBondContact O-N 2.95Å; N332-F335 WeakPolarHBondContact O-CB 3.33Å; N332-F335 PolarHBondContact O-N 3.23Å; N332-E336 WeakPolarHBondContact O-CG 3.46Å; N332-E336 PolarHBondContact O-N 2.92Å; N332-E336 VanDerWaalsContact O-N 3.12Å; N332-M362 HydrophobicContact CB-CE 4.31Å; N332-M362 VanDerWaalsContact OD1-CE 3.24Å; N332-M362 WeakPolarHBondContact OD1-CE 3.3Å
333	K	97.3	Very high	97.4	Very high	84 Å²	84	54.8 Å²	54.8	37%	0.365	26%	0.261	S	S	.	.	H	α-helix	trans	-68.5	-32.4	177.7	-59.1	-174.2	-160.8	155	0	112	F325 E330 P331 N337	F325-K333 HydrophobicContact CB-CB 4.22Å; F325-K333 HydrophobicContact CD1-CB 3.79Å; F325-K333 HydrophobicContact CD1-CD 3.9Å; F325-K333 HydrophobicContact CD1-CG 4.49Å; F325-K333 HydrophobicContact CD2-CB 3.65Å; F325-K333 HydrophobicContact CE1-CB 4.04Å; F325-K333 HydrophobicContact CE1-CD 3.55Å; F325-K333 HydrophobicContact CE1-CG 4.46Å; F325-K333 HydrophobicContact CE2-CB 3.88Å; F325-K333 HydrophobicContact CG-CB 3.62Å; F325-K333 HydrophobicContact CZ-CB 4.08Å; F325-K333 HydrophobicContact CZ-CD 3.92Å; E330-K333 PolarHBondContact O-N 2.95Å; E330-K333 IonicContact OE1-NZ 3.74Å; E330-K333 PolarHBondContact OE1-NZ 3.3Å; E330-K333 VanDerWaalsContact OE2-CD 3.26Å; E330-K333 WeakPolarHBondContact OE2-CD 3.32Å; E330-K333 WeakPolarHBondContact OE2-CE 3.48Å; E330-K333 IonicContact OE2-NZ 2.74Å; E330-K333 PolarHBondContact OE2-NZ 3.41Å; P331-K333 PolarHBondContact O-N 3.05Å; K333-N337 PolarHBondContact O-N 2.92Å; K333-N337 PolarHBondContact O-ND2 3.4Å
334	A	98.4	Very high	97.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-44.5	173.9	0	0	0	0	0	111.7	F325 L326 E330 P331 N332 N337 C338 A358	F325-A334 HydrophobicContact CB-CB 3.82Å; L326-A334 HydrophobicContact CD2-CB 3.95Å; L326-A334 HydrophobicContact CG-CB 3.84Å; E330-A334 PolarHBondContact O-N 3.22Å; P331-A334 WeakPolarHBondContact O-CB 3.46Å; P331-A334 PolarHBondContact O-N 3.29Å; N332-A334 VanDerWaalsContact C-N 3.31Å; N332-A334 PolarHBondContact O-N 2.95Å; A334-N337 PolarHBondContact O-N 3.24Å; A334-C338 PolarHBondContact O-N 3.41Å; A334-C338 PolarHBondContact O-SG 3.46Å; A334-C338 VanDerWaalsContact O-SG 3.38Å; A334-A358 HydrophobicContact CB-CB 3.95Å
335	F	98.4	Very high	97.1	Very high	56 Å²	56	56.9 Å²	56.9	25%	0.246	27%	0.273	C	S	.	.	H	α-helix	trans	-58.6	-51.6	176.7	173.7	-89.7	0	0	0	111.8	P331 N332 N337 C338 D339 R355 A358 L359 M362	P331-F335 WeakPolarHBondContact O-CB 2.95Å; P331-F335 PolarHBondContact O-N 3.01Å; N332-F335 WeakPolarHBondContact O-CB 3.33Å; N332-F335 PolarHBondContact O-N 3.23Å; F335-N337 VanDerWaalsContact C-N 3.29Å; F335-N337 PolarHBondContact O-N 3.37Å; F335-C338 WeakPolarHBondContact O-CB 3.47Å; F335-C338 PolarHBondContact O-N 3.31Å; F335-D339 VanDerWaalsContact CE1-OD2 3.24Å; F335-D339 WeakPolarHBondContact CE1-OD2 3.34Å; F335-D339 VanDerWaalsContact CZ-OD2 3.26Å; F335-D339 WeakPolarHBondContact CZ-OD2 3.45Å; F335-D339 PolarHBondContact O-N 2.86Å; F335-R355 HydrophobicContact CD2-CG 3.53Å; F335-R355 HydrophobicContact CE2-CG 3.77Å; F335-R355 HydrophobicContact CG-CG 4.5Å; F335-A358 HydrophobicContact CB-CB 4.14Å; F335-L359 HydrophobicContact CD2-CD1 4.38Å; F335-L359 HydrophobicContact CD2-CD2 3.77Å; F335-L359 HydrophobicContact CD2-CG 3.85Å; F335-L359 HydrophobicContact CE2-CD1 4.2Å; F335-L359 HydrophobicContact CE2-CD2 3.74Å; F335-L359 HydrophobicContact CE2-CG 4.05Å; F335-M362 HydrophobicContact CB-CE 3.57Å; F335-M362 HydrophobicContact CG-CE 4.24Å
336	E	97.9	Very high	97.1	Very high	117 Å²	117	60.9 Å²	60.9	55%	0.547	30%	0.301	S	S	.	.	H	α-helix	trans	-55.6	-43.5	179.5	-70.4	167.9	-176.3	0	0	112.2	N332 D339 K340	N332-E336 WeakPolarHBondContact O-CG 3.46Å; N332-E336 PolarHBondContact O-N 2.92Å; N332-E336 VanDerWaalsContact O-N 3.12Å; E336-D339 PolarHBondContact O-N 3.19Å; E336-K340 WeakPolarHBondContact O-CG 2.98Å; E336-K340 PolarHBondContact O-N 3.47Å; E336-K340 VanDerWaalsContact O-N 3.07Å
337	N	98.3	Very high	97	Very high	20 Å²	20	62.1 Å²	62.1	11%	0.107	31%	0.311	C	S	.	.	H	α-helix	trans	-69.5	-34.6	178.1	-81.7	-84.2	0	0	0	112.6	H318 L321 A322 F325 K333 A334 F335 A341	H318-N337 PolarHBondContact ND1-OD1 3.36Å; L321-N337 HydrophobicContact CB-CB 4.27Å; L321-N337 WeakPolarHBondContact CB-OD1 3.42Å; L321-N337 WeakPolarHBondContact CD1-OD1 3.33Å; A322-N337 HydrophobicContact CB-CB 4.02Å; F325-N337 WeakPolarHBondContact CE2-ND2 3.4Å; K333-N337 PolarHBondContact O-N 2.92Å; K333-N337 PolarHBondContact O-ND2 3.4Å; A334-N337 PolarHBondContact O-N 3.24Å; F335-N337 VanDerWaalsContact C-N 3.29Å; F335-N337 PolarHBondContact O-N 3.37Å; N337-A341 PolarHBondContact O-N 3.04Å
338	C	98.4	Very high	97	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-67	-39.9	173.2	-73.8	0	0	0	0	112.4	A322 A334 F335 A341 L342 R354 R355	A322-C338 WeakPolarHBondContact CB-SG 3.34Å; A334-C338 PolarHBondContact O-N 3.41Å; A334-C338 PolarHBondContact O-SG 3.46Å; A334-C338 VanDerWaalsContact O-SG 3.38Å; F335-C338 WeakPolarHBondContact O-CB 3.47Å; F335-C338 PolarHBondContact O-N 3.31Å; C338-A341 WeakPolarHBondContact O-CB 3.45Å; C338-A341 PolarHBondContact O-N 3.45Å; C338-L342 WeakPolarHBondContact O-CG 3.49Å; C338-L342 PolarHBondContact O-N 3.33Å; C338-R354 VanDerWaalsContact SG-CB 3.53Å; C338-R355 HydrophobicContact CB-CB 3.61Å; C338-R355 HydrophobicContact CB-CG 3.95Å; C338-R355 PolarHBondContact SG-N 3.28Å; C338-R355 VanDerWaalsContact SG-N 3.43Å
339	D	97.6	Very high	97.1	Very high	47 Å²	47	58.8 Å²	58.8	25%	0.251	30%	0.297	S	S	.	.	H	α-helix	trans	-60	-47.2	174.9	-90.3	8.2	0	0	0	111.1	F335 E336 A341 L342 E343 R355	F335-D339 VanDerWaalsContact CE1-OD2 3.24Å; F335-D339 WeakPolarHBondContact CE1-OD2 3.34Å; F335-D339 VanDerWaalsContact CZ-OD2 3.26Å; F335-D339 WeakPolarHBondContact CZ-OD2 3.45Å; F335-D339 PolarHBondContact O-N 2.86Å; E336-D339 PolarHBondContact O-N 3.19Å; D339-A341 VanDerWaalsContact C-N 3.31Å; D339-A341 PolarHBondContact O-N 3.22Å; D339-L342 PolarHBondContact O-N 3.42Å; D339-E343 PolarHBondContact O-N 2.78Å; D339-R355 WeakPolarHBondContact OD1-CD 3.44Å; D339-R355 IonicContact OD1-CZ 3.14Å; D339-R355 IonicContact OD1-NE 3.96Å; D339-R355 IonicContact OD1-NH1 3.44Å; D339-R355 PolarHBondContact OD1-NH1 2.93Å
340	K	97.6	Very high	97.2	Very high	76 Å²	76	56.9 Å²	56.9	33%	0.33	29%	0.286	S	S	.	.	H	α-helix	trans	-58.8	-40.3	173.5	-70.1	-62.1	179.1	-166.2	0	113.2	E336 L342 E343 M344	E336-K340 WeakPolarHBondContact O-CG 2.98Å; E336-K340 PolarHBondContact O-N 3.47Å; E336-K340 VanDerWaalsContact O-N 3.07Å; K340-L342 VanDerWaalsContact C-N 3.32Å; K340-L342 PolarHBondContact O-N 3.12Å; K340-E343 WeakPolarHBondContact CD-OE2 3.44Å; K340-E343 IonicContact NZ-OE1 2.7Å; K340-E343 PolarHBondContact NZ-OE1 3.22Å; K340-E343 IonicContact NZ-OE2 3.17Å; K340-E343 PolarHBondContact NZ-OE2 3.46Å; K340-E343 PolarHBondContact O-N 3.15Å; K340-M344 WeakPolarHBondContact O-CG 3.46Å
341	A	97.8	Very high	97.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.3	-37.3	174.1	0	0	0	0	0	112.5	L315 H318 L319 N337 C338 D339 M344 D345 A351	L315-A341 HydrophobicContact CD1-CB 3.78Å; L315-A341 WeakPolarHBondContact CD1-O 3.45Å; H318-A341 HydrophobicContact CB-CB 4.12Å; L319-A341 HydrophobicContact CD2-CB 4.08Å; L319-A341 HydrophobicContact CG-CB 4.22Å; N337-A341 PolarHBondContact O-N 3.04Å; C338-A341 WeakPolarHBondContact O-CB 3.45Å; C338-A341 PolarHBondContact O-N 3.45Å; D339-A341 VanDerWaalsContact C-N 3.31Å; D339-A341 PolarHBondContact O-N 3.22Å; A341-M344 PolarHBondContact O-N 2.93Å; A341-D345 PolarHBondContact O-N 2.99Å; A341-A351 HydrophobicContact CB-CB 3.86Å
342	L	97.5	Very high	97.4	Very high	18 Å²	18	52.5 Å²	52.5	9%	0.094	26%	0.263	C	S	.	.	H	α-helix	trans	-76.3	-28.1	179.9	-70	167.3	0	0	0	113.6	C338 D339 K340 M344 D345 S346 A351 L352 R355	C338-L342 WeakPolarHBondContact O-CG 3.49Å; C338-L342 PolarHBondContact O-N 3.33Å; D339-L342 PolarHBondContact O-N 3.42Å; K340-L342 VanDerWaalsContact C-N 3.32Å; K340-L342 PolarHBondContact O-N 3.12Å; L342-M344 PolarHBondContact O-N 2.85Å; L342-D345 CarbonylContact O-C 3.38Å; L342-S346 WeakPolarHBondContact O-CA 3.46Å; L342-S346 PolarHBondContact O-N 3Å; L342-A351 HydrophobicContact CD1-CB 4.42Å; L342-A351 HydrophobicContact CD2-CB 3.73Å; L342-A351 HydrophobicContact CG-CB 3.72Å; L342-L352 HydrophobicContact CD1-CD2 3.96Å; L342-L352 HydrophobicContact CD2-CD2 3.8Å; L342-L352 HydrophobicContact CD2-CG 3.8Å; L342-R355 VanDerWaalsContact CD1-NH1 3.29Å
343	E	96	Very high	97.4	Very high	137 Å²	137	49.1 Å²	49.1	64%	0.64	24%	0.244	S	C	*	.	H	α-helix	trans	-57.9	-34.6	167.3	-71.5	174	-169.2	0	0	110.7	D339 K340	D339-E343 PolarHBondContact O-N 2.78Å; K340-E343 WeakPolarHBondContact CD-OE2 3.44Å; K340-E343 IonicContact NZ-OE1 2.7Å; K340-E343 PolarHBondContact NZ-OE1 3.22Å; K340-E343 IonicContact NZ-OE2 3.17Å; K340-E343 PolarHBondContact NZ-OE2 3.46Å; K340-E343 PolarHBondContact O-N 3.15Å
344	M	94.4	Very high	97.5	Very high	34 Å²	34	47 Å²	47	17%	0.167	23%	0.233	C	C	.	.	H	α-helix	trans	-87.3	-41.2	-179.4	-55.9	-175.7	108.3	0	0	113.5	K311 R314 L315 K340 A341 L342	K311-M344 HydrophobicContact CB-CE 4.44Å; K311-M344 WeakPolarHBondContact CE-O 3.45Å; K311-M344 HydrophobicContact CG-CE 3.87Å; K311-M344 PolarHBondContact NZ-O 3.29Å; R314-M344 HydrophobicContact CB-CE 3.44Å; R314-M344 VanDerWaalsContact CB-CE 3.44Å; R314-M344 HydrophobicContact CB-SD 3.84Å; R314-M344 HydrophobicContact CG-CE 4.24Å; L315-M344 HydrophobicContact CB-SD 4.24Å; L315-M344 HydrophobicContact CD1-CB 4.46Å; K340-M344 WeakPolarHBondContact O-CG 3.46Å; A341-M344 PolarHBondContact O-N 2.93Å; L342-M344 PolarHBondContact O-N 2.85Å
345	D	96.3	Very high	97.5	Very high	50 Å²	50	49.5 Å²	49.5	27%	0.267	24%	0.243	S	C	.	.			trans	-138.7	88.8	177.2	175.2	10.8	0	0	0	110.1	L315 A341 L342 T347 S348	L315-D345 HydrophobicContact CD1-CB 4.28Å; L315-D345 HydrophobicContact CD2-CB 3.96Å; A341-D345 PolarHBondContact O-N 2.99Å; L342-D345 CarbonylContact O-C 3.38Å; D345-T347 PolarHBondContact O-N 3.49Å; D345-T347 PolarHBondContact OD1-N 3.27Å; D345-T347 PolarHBondContact OD1-OG1 3.02Å; D345-S348 WeakPolarHBondContact O-CB 3.14Å; D345-S348 PolarHBondContact O-N 3.12Å; D345-S348 PolarHBondContact OD1-N 3.27Å; D345-S348 WeakPolarHBondContact OD2-CA 3.4Å; D345-S348 WeakPolarHBondContact OD2-CB 3.46Å
346	S	96.4	Very high	97.5	Very high	88 Å²	88	46.8 Å²	46.8	62%	0.615	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-14.4	-179.6	65.8	0	0	0	0	114.7	L342	L342-S346 WeakPolarHBondContact O-CA 3.46Å; L342-S346 PolarHBondContact O-N 3Å
347	T	96	Very high	97.5	Very high	61 Å²	61	44.3 Å²	44.3	37%	0.374	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-3.2	179.5	53.6	0	0	0	0	113.1	D345 E349 L378 Y379	D345-T347 PolarHBondContact O-N 3.49Å; D345-T347 PolarHBondContact OD1-N 3.27Å; D345-T347 PolarHBondContact OD1-OG1 3.02Å; T347-E349 PolarHBondContact O-N 3.38Å; T347-L378 HydrophobicContact CG2-CD1 4.34Å; T347-Y379 VanDerWaalsContact O-CE2 3.27Å; T347-Y379 WeakPolarHBondContact O-CE2 3.49Å; T347-Y379 PolarHBondContact O-OH 3.31Å
348	S	97.4	Very high	97.5	Very high	9 Å²	9	43.4 Å²	43.4	6%	0.063	21%	0.214	C	C	.	.			trans	-55.2	111.6	-172.8	-170.2	0	0	0	0	113.1	D345 K350 A351 L352	D345-S348 WeakPolarHBondContact O-CB 3.14Å; D345-S348 PolarHBondContact O-N 3.12Å; D345-S348 PolarHBondContact OD1-N 3.27Å; D345-S348 WeakPolarHBondContact OD2-CA 3.4Å; D345-S348 WeakPolarHBondContact OD2-CB 3.46Å; S348-K350 VanDerWaalsContact C-N 3.25Å; S348-K350 PolarHBondContact O-N 3Å; S348-A351 PolarHBondContact O-N 2.85Å; S348-A351 VanDerWaalsContact O-N 3.16Å; S348-L352 PolarHBondContact O-N 3.05Å
349	E	97.8	Very high	97.5	Very high	66 Å²	66	43.9 Å²	43.9	31%	0.308	22%	0.217	S	C	.	.	H	α-helix	trans	-52.7	-45.2	177.5	-171.2	-179.8	-170.8	0	0	111.6	T347 F353 V375 Y379 N382	T347-E349 PolarHBondContact O-N 3.38Å; E349-F353 VanDerWaalsContact O-CB 3.23Å; E349-F353 WeakPolarHBondContact O-CB 3.44Å; E349-F353 PolarHBondContact O-N 2.89Å; E349-V375 HydrophobicContact CG-CG1 4.08Å; E349-Y379 HydrophobicContact CB-CD1 4.35Å; E349-Y379 HydrophobicContact CB-CD2 3.66Å; E349-Y379 HydrophobicContact CB-CE1 4.19Å; E349-Y379 HydrophobicContact CB-CE2 3.47Å; E349-Y379 VanDerWaalsContact CB-CE2 3.47Å; E349-Y379 HydrophobicContact CB-CG 4.1Å; E349-Y379 HydrophobicContact CG-CD1 4.37Å; E349-Y379 HydrophobicContact CG-CD2 3.59Å; E349-Y379 HydrophobicContact CG-CE2 3.98Å; E349-Y379 HydrophobicContact CG-CG 3.81Å; E349-N382 WeakPolarHBondContact OE1-CB 3.27Å; E349-N382 PolarHBondContact OE1-ND2 3.27Å
350	K	97.8	Very high	97.5	Very high	129 Å²	129	43.5 Å²	43.5	56%	0.561	21%	0.213	S	C	*	.	H	α-helix	trans	-67.4	-40.7	-178.3	-68.8	178.6	-178.9	172.8	0	112	L319 S348 R354	L319-K350 HydrophobicContact CD1-CB 4.44Å; L319-K350 HydrophobicContact CD2-CB 3.85Å; S348-K350 VanDerWaalsContact C-N 3.25Å; S348-K350 PolarHBondContact O-N 3Å; K350-R354 VanDerWaalsContact O-CB 3.27Å; K350-R354 WeakPolarHBondContact O-CB 3.39Å; K350-R354 WeakPolarHBondContact O-CD 3.4Å; K350-R354 WeakPolarHBondContact O-CG 3.48Å; K350-R354 PolarHBondContact O-N 3.46Å
351	A	98.1	Very high	97.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-69.2	-48.9	-178.2	0	0	0	0	0	110.9	L319 A341 L342 S348 F353 R354 R355	L319-A351 HydrophobicContact CD2-CB 3.71Å; A341-A351 HydrophobicContact CB-CB 3.86Å; L342-A351 HydrophobicContact CD1-CB 4.42Å; L342-A351 HydrophobicContact CD2-CB 3.73Å; L342-A351 HydrophobicContact CG-CB 3.72Å; S348-A351 PolarHBondContact O-N 2.85Å; S348-A351 VanDerWaalsContact O-N 3.16Å; A351-F353 VanDerWaalsContact C-N 3.34Å; A351-F353 PolarHBondContact O-N 3.35Å; A351-R354 PolarHBondContact O-N 3.27Å; A351-R355 WeakPolarHBondContact O-CB 3.39Å; A351-R355 PolarHBondContact O-N 3.03Å
352	L	98.4	Very high	97.4	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.037	23%	0.232	C	C	.	.	H	α-helix	trans	-58.1	-46.6	176.8	-70.8	171.6	0	0	0	111.5	L342 S348 R355 G356 R374 V375 L378	L342-L352 HydrophobicContact CD1-CD2 3.96Å; L342-L352 HydrophobicContact CD2-CD2 3.8Å; L342-L352 HydrophobicContact CD2-CG 3.8Å; S348-L352 PolarHBondContact O-N 3.05Å; L352-R355 PolarHBondContact O-N 3.39Å; L352-G356 PolarHBondContact O-N 3.26Å; L352-R374 HydrophobicContact CD1-CB 4.36Å; L352-R374 HydrophobicContact CD1-CG 3.81Å; L352-R374 HydrophobicContact CD2-CG 4.28Å; L352-V375 HydrophobicContact CB-CG2 3.43Å; L352-V375 VanDerWaalsContact CB-CG2 3.43Å; L352-V375 HydrophobicContact CD1-CG2 4.29Å; L352-L378 HydrophobicContact CD1-CD1 3.99Å
353	F	98.5	Very high	97.3	Very high	33 Å²	33	48.9 Å²	48.9	15%	0.145	26%	0.256	C	S	.	.	H	α-helix	trans	-63.5	-47.6	-179.3	-170.3	-87.6	0	0	0	112	E349 A351 R355 G356 E357 F372 V375 A384 A385 Q388	E349-F353 VanDerWaalsContact O-CB 3.23Å; E349-F353 WeakPolarHBondContact O-CB 3.44Å; E349-F353 PolarHBondContact O-N 2.89Å; A351-F353 VanDerWaalsContact C-N 3.34Å; A351-F353 PolarHBondContact O-N 3.35Å; F353-R355 PolarHBondContact O-N 3.44Å; F353-G356 PolarHBondContact O-N 3.45Å; F353-E357 HydrophobicContact CD1-CG 4.21Å; F353-E357 VanDerWaalsContact CE1-CD 3.46Å; F353-E357 HydrophobicContact CE1-CG 3.92Å; F353-E357 WeakPolarHBondContact CE1-OE1 3.39Å; F353-E357 PolarHBondContact O-N 2.89Å; F353-F372 HydrophobicContact CD1-CE1 4.5Å; F353-F372 AromaticContact CD2-CD1 3.89Å; F353-F372 HydrophobicContact CD2-CD1 3.89Å; F353-F372 AromaticContact CD2-CE1 3.86Å; F353-F372 HydrophobicContact CD2-CE1 3.86Å; F353-F372 HydrophobicContact CE1-CE1 4.5Å; F353-F372 HydrophobicContact CE2-CD1 4.01Å; F353-F372 AromaticContact CE2-CE1 3.85Å; F353-F372 HydrophobicContact CE2-CE1 3.85Å; F353-F372 HydrophobicContact CG-CE1 4.2Å; F353-F372 HydrophobicContact CZ-CE1 4.18Å; F353-F372 WeakPolarHBondContact O-CE1 3.41Å; F353-V375 HydrophobicContact CB-CG2 4.19Å; F353-A384 HydrophobicContact CE2-CB 3.85Å; F353-A384 HydrophobicContact CZ-CB 3.79Å; F353-A385 HydrophobicContact CD2-CB 4.07Å; F353-A385 HydrophobicContact CE2-CB 4.05Å; F353-Q388 HydrophobicContact CE2-CG 4.4Å; F353-Q388 HydrophobicContact CZ-CG 4.24Å
354	R	98.5	Very high	97.3	Very high	38 Å²	38	46 Å²	46	14%	0.143	24%	0.242	C	C	.	.	H	α-helix	trans	-67.5	-34.2	179.7	-72.1	171.7	179.7	171.3	-0.8	112.5	L319 L326 C338 K350 A351 E357 A358	L319-R354 PolarHBondContact O-NH1 2.74Å; L326-R354 HydrophobicContact CD1-CB 3.89Å; L326-R354 HydrophobicContact CD1-CG 3.95Å; C338-R354 VanDerWaalsContact SG-CB 3.53Å; K350-R354 VanDerWaalsContact O-CB 3.27Å; K350-R354 WeakPolarHBondContact O-CB 3.39Å; K350-R354 WeakPolarHBondContact O-CD 3.4Å; K350-R354 WeakPolarHBondContact O-CG 3.48Å; K350-R354 PolarHBondContact O-N 3.46Å; A351-R354 PolarHBondContact O-N 3.27Å; R354-E357 PolarHBondContact O-N 3.18Å; R354-A358 PolarHBondContact O-N 3.48Å
355	R	98.6	Very high	97.5	Very high	53 Å²	53	44.8 Å²	44.8	20%	0.2	24%	0.236	C	C	.	.	H	α-helix	trans	-64.7	-42.5	173.4	-161.9	171.7	65.3	177.7	-0.3	111.1	F335 C338 D339 L342 A351 L352 F353 E357 A358 L359 D371	F335-R355 HydrophobicContact CD2-CG 3.53Å; F335-R355 HydrophobicContact CE2-CG 3.77Å; F335-R355 HydrophobicContact CG-CG 4.5Å; C338-R355 HydrophobicContact CB-CB 3.61Å; C338-R355 HydrophobicContact CB-CG 3.95Å; C338-R355 PolarHBondContact SG-N 3.28Å; C338-R355 VanDerWaalsContact SG-N 3.43Å; D339-R355 WeakPolarHBondContact OD1-CD 3.44Å; D339-R355 IonicContact OD1-CZ 3.14Å; D339-R355 IonicContact OD1-NE 3.96Å; D339-R355 IonicContact OD1-NH1 3.44Å; D339-R355 PolarHBondContact OD1-NH1 2.93Å; L342-R355 VanDerWaalsContact CD1-NH1 3.29Å; A351-R355 WeakPolarHBondContact O-CB 3.39Å; A351-R355 PolarHBondContact O-N 3.03Å; L352-R355 PolarHBondContact O-N 3.39Å; F353-R355 PolarHBondContact O-N 3.44Å; R355-E357 VanDerWaalsContact C-N 3.33Å; R355-E357 PolarHBondContact O-N 3.34Å; R355-A358 WeakPolarHBondContact O-CB 2.9Å; R355-A358 PolarHBondContact O-N 3.3Å; R355-L359 HydrophobicContact CG-CD1 4.19Å; R355-L359 WeakPolarHBondContact O-CB 3.49Å; R355-L359 WeakPolarHBondContact O-CG 3.39Å; R355-L359 PolarHBondContact O-N 3.02Å; R355-D371 WeakPolarHBondContact CB-OD2 3.48Å; R355-D371 WeakPolarHBondContact CG-OD2 3.44Å; R355-D371 IonicContact CZ-OD1 3.02Å; R355-D371 IonicContact CZ-OD2 3.46Å; R355-D371 IonicContact NE-OD1 2.89Å; R355-D371 PolarHBondContact NE-OD1 3.12Å; R355-D371 IonicContact NE-OD2 2.85Å; R355-D371 PolarHBondContact NE-OD2 3.48Å; R355-D371 IonicContact NH2-OD1 3.77Å; R355-D371 PolarHBondContact NH2-OD1 3.04Å; R355-D371 IonicContact NH2-OD2 3.68Å
356	G	98.3	Very high	97.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.2	-43.6	171.4	0	0	0	0	0	112.6	L352 F353 F360 A368	L352-G356 PolarHBondContact O-N 3.26Å; F353-G356 PolarHBondContact O-N 3.45Å; G356-F360 VanDerWaalsContact O-CB 3.3Å; G356-F360 WeakPolarHBondContact O-CB 3.45Å; G356-F360 PolarHBondContact O-N 3.48Å; G356-A368 WeakPolarHBondContact O-CB 3.38Å
357	E	98.4	Very high	97.6	Very high	65 Å²	65	46.8 Å²	46.8	30%	0.304	23%	0.233	S	C	.	.	H	α-helix	trans	-63.9	-41.6	175.1	-69.5	-174.3	128.6	0	0	112.5	L326 F353 R354 R355 F360 G361 F372	L326-E357 HydrophobicContact CD1-CB 4.24Å; L326-E357 HydrophobicContact CD2-CB 4.12Å; F353-E357 HydrophobicContact CD1-CG 4.21Å; F353-E357 VanDerWaalsContact CE1-CD 3.46Å; F353-E357 HydrophobicContact CE1-CG 3.92Å; F353-E357 WeakPolarHBondContact CE1-OE1 3.39Å; F353-E357 PolarHBondContact O-N 2.89Å; R354-E357 PolarHBondContact O-N 3.18Å; R355-E357 VanDerWaalsContact C-N 3.33Å; R355-E357 PolarHBondContact O-N 3.34Å; E357-F360 PolarHBondContact O-N 3.34Å; E357-G361 PolarHBondContact O-N 3.41Å; E357-F372 HydrophobicContact CG-CE1 4.25Å; E357-F372 HydrophobicContact CG-CZ 4Å
358	A	98.3	Very high	97.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.1	-49.6	177.1	0	0	0	0	0	111.6	L326 P331 A334 F335 R354 R355 F360 G361 M362	L326-A358 HydrophobicContact CD2-CB 4.1Å; P331-A358 HydrophobicContact CB-CB 4.43Å; P331-A358 WeakPolarHBondContact CB-O 3.27Å; A334-A358 HydrophobicContact CB-CB 3.95Å; F335-A358 HydrophobicContact CB-CB 4.14Å; R354-A358 PolarHBondContact O-N 3.48Å; R355-A358 WeakPolarHBondContact O-CB 2.9Å; R355-A358 PolarHBondContact O-N 3.3Å; A358-F360 VanDerWaalsContact C-N 3.31Å; A358-F360 PolarHBondContact O-N 3.4Å; A358-G361 WeakPolarHBondContact O-CA 3.44Å; A358-G361 PolarHBondContact O-N 2.81Å; A358-G361 VanDerWaalsContact O-N 3.08Å; A358-M362 HydrophobicContact CB-CE 4.47Å; A358-M362 WeakPolarHBondContact O-CG 3.36Å; A358-M362 PolarHBondContact O-N 3.28Å; A358-M362 VanDerWaalsContact O-N 3.08Å
359	L	98.4	Very high	97.8	Very high	10 Å²	10	46.6 Å²	46.6	5%	0.052	22%	0.224	C	C	.	.	H	α-helix	trans	-60	-40.9	176.4	-73.5	166.1	0	0	0	111.8	F335 R355 G361 M362 N363 E364 K367 A368 D371	F335-L359 HydrophobicContact CD2-CD1 4.38Å; F335-L359 HydrophobicContact CD2-CD2 3.77Å; F335-L359 HydrophobicContact CD2-CG 3.85Å; F335-L359 HydrophobicContact CE2-CD1 4.2Å; F335-L359 HydrophobicContact CE2-CD2 3.74Å; F335-L359 HydrophobicContact CE2-CG 4.05Å; R355-L359 HydrophobicContact CG-CD1 4.19Å; R355-L359 WeakPolarHBondContact O-CB 3.49Å; R355-L359 WeakPolarHBondContact O-CG 3.39Å; R355-L359 PolarHBondContact O-N 3.02Å; L359-G361 VanDerWaalsContact C-N 3.3Å; L359-G361 PolarHBondContact O-N 3.01Å; L359-M362 HydrophobicContact CD2-SD 4.47Å; L359-M362 CarbonylContact O-C 3.53Å; L359-M362 WeakPolarHBondContact O-CA 3.41Å; L359-M362 WeakPolarHBondContact O-CB 3.47Å; L359-M362 PolarHBondContact O-N 3.44Å; L359-N363 PolarHBondContact O-N 2.88Å; L359-E364 HydrophobicContact CB-CB 4.25Å; L359-E364 HydrophobicContact CD2-CB 3.96Å; L359-E364 HydrophobicContact CD2-CG 4.45Å; L359-E364 PolarHBondContact O-N 3.03Å; L359-K367 HydrophobicContact CD1-CB 3.83Å; L359-K367 HydrophobicContact CD2-CB 4.2Å; L359-K367 HydrophobicContact CD2-CD 4.28Å; L359-A368 HydrophobicContact CB-CB 3.8Å; L359-D371 WeakPolarHBondContact CD1-OD2 3.36Å
360	F	97.5	Very high	97.8	Very high	40 Å²	40	47 Å²	47	18%	0.175	23%	0.228	C	C	.	.	H	α-helix	trans	-60.5	-42.5	174.3	-171.4	-84.1	0	0	0	111.3	G356 E357 A358 M362 N363 F365 A368 L391 R395	G356-F360 VanDerWaalsContact O-CB 3.3Å; G356-F360 WeakPolarHBondContact O-CB 3.45Å; G356-F360 PolarHBondContact O-N 3.48Å; E357-F360 PolarHBondContact O-N 3.34Å; A358-F360 VanDerWaalsContact C-N 3.31Å; A358-F360 PolarHBondContact O-N 3.4Å; F360-M362 PolarHBondContact O-N 2.91Å; F360-N363 PolarHBondContact O-N 3.43Å; F360-F365 AromaticContact CD2-CD1 3.73Å; F360-F365 HydrophobicContact CD2-CD1 3.73Å; F360-F365 HydrophobicContact CD2-CE1 4.07Å; F360-F365 HydrophobicContact CE1-CE1 4.37Å; F360-F365 AromaticContact CE2-CD1 3.75Å; F360-F365 HydrophobicContact CE2-CD1 3.75Å; F360-F365 AromaticContact CE2-CE1 3.89Å; F360-F365 HydrophobicContact CE2-CE1 3.89Å; F360-F365 HydrophobicContact CG-CD1 4.36Å; F360-F365 HydrophobicContact CG-CE1 4.41Å; F360-F365 HydrophobicContact CZ-CD1 4.38Å; F360-F365 HydrophobicContact CZ-CE1 4.05Å; F360-A368 HydrophobicContact CB-CB 4.05Å; F360-L391 HydrophobicContact CE1-CD2 4.46Å; F360-L391 HydrophobicContact CE2-CD2 4.14Å; F360-L391 HydrophobicContact CE2-CG 3.97Å; F360-L391 HydrophobicContact CZ-CD2 3.75Å; F360-L391 HydrophobicContact CZ-CG 3.87Å; F360-R395 HydrophobicContact CE2-CG 3.95Å; F360-R395 HydrophobicContact CZ-CG 3.85Å
361	G	95.5	Very high	97.8	Very high	48 Å²	48	41.4 Å²	41.4	50%	0.495	20%	0.204	S	C	.	.	H	α-helix	trans	-62.1	-25.8	173.8	0	0	0	0	0	114	E357 A358 L359 N363	E357-G361 PolarHBondContact O-N 3.41Å; A358-G361 WeakPolarHBondContact O-CA 3.44Å; A358-G361 PolarHBondContact O-N 2.81Å; A358-G361 VanDerWaalsContact O-N 3.08Å; L359-G361 VanDerWaalsContact C-N 3.3Å; L359-G361 PolarHBondContact O-N 3.01Å; G361-N363 VanDerWaalsContact C-N 3.32Å
362	M	96.4	Very high	97.8	Very high	47 Å²	47	41.4 Å²	41.4	23%	0.232	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-1.4	173.3	-60.1	171.9	-162.6	0	0	113.8	P331 N332 F335 A358 L359 F360 E364	P331-M362 HydrophobicContact CB-CE 3.86Å; P331-M362 HydrophobicContact CB-CG 3.94Å; P331-M362 HydrophobicContact CG-CG 4.08Å; P331-M362 WeakPolarHBondContact O-CE 3.38Å; N332-M362 HydrophobicContact CB-CE 4.31Å; N332-M362 VanDerWaalsContact OD1-CE 3.24Å; N332-M362 WeakPolarHBondContact OD1-CE 3.3Å; F335-M362 HydrophobicContact CB-CE 3.57Å; F335-M362 HydrophobicContact CG-CE 4.24Å; A358-M362 HydrophobicContact CB-CE 4.47Å; A358-M362 WeakPolarHBondContact O-CG 3.36Å; A358-M362 PolarHBondContact O-N 3.28Å; A358-M362 VanDerWaalsContact O-N 3.08Å; L359-M362 HydrophobicContact CD2-SD 4.47Å; L359-M362 CarbonylContact O-C 3.53Å; L359-M362 WeakPolarHBondContact O-CA 3.41Å; L359-M362 WeakPolarHBondContact O-CB 3.47Å; L359-M362 PolarHBondContact O-N 3.44Å; F360-M362 PolarHBondContact O-N 2.91Å; M362-E364 HydrophobicContact CB-CG 4.11Å; M362-E364 PolarHBondContact O-N 3.5Å
363	N	95.7	Very high	97.8	Very high	112 Å²	112	44.1 Å²	44.1	60%	0.599	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	65	20.5	-169.8	-47.9	-69.7	0	0	0	114.8	L359 F360 G361 F365	L359-N363 PolarHBondContact O-N 2.88Å; F360-N363 PolarHBondContact O-N 3.43Å; G361-N363 VanDerWaalsContact C-N 3.32Å; N363-F365 HydrophobicContact CB-CE1 4.38Å; N363-F365 HydrophobicContact CB-CE2 3.82Å; N363-F365 HydrophobicContact CB-CZ 3.71Å; N363-F365 WeakPolarHBondContact O-CD2 3.37Å; N363-F365 PolarHBondContact O-N 3.38Å; N363-F365 VanDerWaalsContact O-N 3.09Å; N363-F365 WeakPolarHBondContact OD1-CZ 2.99Å
364	E	97.1	Very high	97.8	Very high	75 Å²	75	48 Å²	48	35%	0.35	23%	0.23	S	C	.	.			trans	-86	62.8	173.6	-70.2	-83.4	-176.9	0	0	109.5	L359 M362 E366 K367 A368	L359-E364 HydrophobicContact CB-CB 4.25Å; L359-E364 HydrophobicContact CD2-CB 3.96Å; L359-E364 HydrophobicContact CD2-CG 4.45Å; L359-E364 PolarHBondContact O-N 3.03Å; M362-E364 HydrophobicContact CB-CG 4.11Å; M362-E364 PolarHBondContact O-N 3.5Å; E364-E366 PolarHBondContact O-N 3.16Å; E364-K367 HydrophobicContact CB-CD 4.42Å; E364-K367 VanDerWaalsContact CD-NZ 3.32Å; E364-K367 PolarHBondContact O-N 3.42Å; E364-K367 IonicContact OE1-NZ 3.5Å; E364-K367 PolarHBondContact OE1-NZ 3.15Å; E364-K367 WeakPolarHBondContact OE2-CD 3.31Å; E364-K367 WeakPolarHBondContact OE2-CE 3.3Å; E364-K367 IonicContact OE2-NZ 3.57Å; E364-K367 PolarHBondContact OE2-NZ 3.35Å; E364-A368 WeakPolarHBondContact O-CB 3.48Å; E364-A368 PolarHBondContact O-N 3.22Å
365	F	97.6	Very high	97.8	Very high	10 Å²	10	46.1 Å²	46.1	4%	0.044	22%	0.223	C	C	.	.	H	α-helix	trans	-65.6	-33.8	-165.5	-57	-60.9	0	0	0	114.1	F360 N363 R369 R395 I396	F360-F365 AromaticContact CD2-CD1 3.73Å; F360-F365 HydrophobicContact CD2-CD1 3.73Å; F360-F365 HydrophobicContact CD2-CE1 4.07Å; F360-F365 HydrophobicContact CE1-CE1 4.37Å; F360-F365 AromaticContact CE2-CD1 3.75Å; F360-F365 HydrophobicContact CE2-CD1 3.75Å; F360-F365 AromaticContact CE2-CE1 3.89Å; F360-F365 HydrophobicContact CE2-CE1 3.89Å; F360-F365 HydrophobicContact CG-CD1 4.36Å; F360-F365 HydrophobicContact CG-CE1 4.41Å; F360-F365 HydrophobicContact CZ-CD1 4.38Å; F360-F365 HydrophobicContact CZ-CE1 4.05Å; N363-F365 HydrophobicContact CB-CE1 4.38Å; N363-F365 HydrophobicContact CB-CE2 3.82Å; N363-F365 HydrophobicContact CB-CZ 3.71Å; N363-F365 WeakPolarHBondContact O-CD2 3.37Å; N363-F365 PolarHBondContact O-N 3.38Å; N363-F365 VanDerWaalsContact O-N 3.09Å; N363-F365 WeakPolarHBondContact OD1-CZ 2.99Å; F365-R369 VanDerWaalsContact O-CB 3.31Å; F365-R369 WeakPolarHBondContact O-CB 3.49Å; F365-R369 PolarHBondContact O-N 2.81Å; F365-R395 HydrophobicContact CD1-CB 3.78Å; F365-R395 HydrophobicContact CD1-CG 4.25Å; F365-R395 HydrophobicContact CD2-CB 4.04Å; F365-R395 HydrophobicContact CE1-CB 3.88Å; F365-R395 HydrophobicContact CE1-CG 4.03Å; F365-R395 HydrophobicContact CE2-CB 4.13Å; F365-R395 HydrophobicContact CG-CB 3.87Å; F365-R395 HydrophobicContact CZ-CB 4.05Å; F365-R395 HydrophobicContact CZ-CG 4.37Å; F365-I396 HydrophobicContact CB-CD1 4.21Å; F365-I396 HydrophobicContact CB-CG1 3.53Å
366	E	97.3	Very high	97.8	Very high	71 Å²	71	45.4 Å²	45.4	33%	0.332	23%	0.225	S	C	.	.	H	α-helix	trans	-64.7	-50.1	176.5	-69.2	75.7	-170.6	0	0	110.8	E364 A368 R369 D370 I396	E364-E366 PolarHBondContact O-N 3.16Å; E366-A368 PolarHBondContact O-N 3.49Å; E366-R369 WeakPolarHBondContact O-CB 3.28Å; E366-R369 PolarHBondContact O-N 2.82Å; E366-D370 PolarHBondContact O-N 2.67Å; E366-I396 HydrophobicContact CG-CD1 4.06Å; E366-I396 HydrophobicContact CG-CG1 4.31Å
367	K	98	Very high	97.7	Very high	108 Å²	108	51.3 Å²	51.3	47%	0.47	25%	0.252	S	S	.	.	H	α-helix	trans	-64.4	-41.6	178.3	-62.2	177.1	-174.6	144.2	0	111.1	L359 E364 R369 D370 D371	L359-K367 HydrophobicContact CD1-CB 3.83Å; L359-K367 HydrophobicContact CD2-CB 4.2Å; L359-K367 HydrophobicContact CD2-CD 4.28Å; E364-K367 HydrophobicContact CB-CD 4.42Å; E364-K367 VanDerWaalsContact CD-NZ 3.32Å; E364-K367 PolarHBondContact O-N 3.42Å; E364-K367 IonicContact OE1-NZ 3.5Å; E364-K367 PolarHBondContact OE1-NZ 3.15Å; E364-K367 WeakPolarHBondContact OE2-CD 3.31Å; E364-K367 WeakPolarHBondContact OE2-CE 3.3Å; E364-K367 IonicContact OE2-NZ 3.57Å; E364-K367 PolarHBondContact OE2-NZ 3.35Å; K367-R369 VanDerWaalsContact C-N 3.34Å; K367-R369 PolarHBondContact O-N 3.18Å; K367-D370 PolarHBondContact O-N 3.44Å; K367-D371 PolarHBondContact O-N 3.44Å; K367-D371 VanDerWaalsContact O-N 3.09Å
368	A	98.3	Very high	97.6	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.1	-45.4	175.3	0	0	0	0	0	111.8	G356 L359 F360 E364 E366 D370 D371 F372	G356-A368 WeakPolarHBondContact O-CB 3.38Å; L359-A368 HydrophobicContact CB-CB 3.8Å; F360-A368 HydrophobicContact CB-CB 4.05Å; E364-A368 WeakPolarHBondContact O-CB 3.48Å; E364-A368 PolarHBondContact O-N 3.22Å; E366-A368 PolarHBondContact O-N 3.49Å; A368-D370 VanDerWaalsContact C-N 3.3Å; A368-D370 PolarHBondContact O-N 3.07Å; A368-D371 PolarHBondContact O-N 2.97Å; A368-F372 HydrophobicContact CB-CE2 4.25Å; A368-F372 WeakPolarHBondContact O-CD2 3.39Å; A368-F372 WeakPolarHBondContact O-CG 3.4Å; A368-F372 PolarHBondContact O-N 3.2Å
369	R	98.4	Very high	97.5	Very high	66 Å²	66	54.3 Å²	54.3	25%	0.249	27%	0.265	C	S	.	.	H	α-helix	trans	-57.6	-45.3	175.7	-176.8	-160.7	66.8	-158.8	-5.6	111	F365 E366 K367 D371 F372 Q373 V389 C392 I396	F365-R369 VanDerWaalsContact O-CB 3.31Å; F365-R369 WeakPolarHBondContact O-CB 3.49Å; F365-R369 PolarHBondContact O-N 2.81Å; E366-R369 WeakPolarHBondContact O-CB 3.28Å; E366-R369 PolarHBondContact O-N 2.82Å; K367-R369 VanDerWaalsContact C-N 3.34Å; K367-R369 PolarHBondContact O-N 3.18Å; R369-D371 VanDerWaalsContact C-N 3.33Å; R369-D371 PolarHBondContact O-N 3.45Å; R369-F372 PolarHBondContact O-N 2.85Å; R369-Q373 HydrophobicContact CG-CG 4.3Å; R369-Q373 WeakPolarHBondContact O-CB 3.27Å; R369-Q373 VanDerWaalsContact O-CG 3.28Å; R369-Q373 WeakPolarHBondContact O-CG 3.48Å; R369-Q373 PolarHBondContact O-N 3.34Å; R369-V389 HydrophobicContact CG-CG1 4.24Å; R369-C392 HydrophobicContact CB-CB 3.7Å; R369-C392 HydrophobicContact CG-CB 4.23Å; R369-I396 HydrophobicContact CB-CD1 4.5Å
370	D	98.2	Very high	97.4	Very high	74 Å²	74	57.7 Å²	57.7	40%	0.396	29%	0.288	S	S	.	.	H	α-helix	trans	-64.2	-39.9	-176.7	-64.4	-10.8	0	0	0	111.1	E366 K367 A368 Q373 R374	E366-D370 PolarHBondContact O-N 2.67Å; K367-D370 PolarHBondContact O-N 3.44Å; A368-D370 VanDerWaalsContact C-N 3.3Å; A368-D370 PolarHBondContact O-N 3.07Å; D370-Q373 PolarHBondContact O-N 3.41Å; D370-R374 WeakPolarHBondContact O-CB 3.44Å; D370-R374 PolarHBondContact O-N 3.2Å
371	D	98.3	Very high	97.4	Very high	13 Å²	13	60.7 Å²	60.7	7%	0.07	31%	0.314	C	S	.	.	H	α-helix	trans	-62.8	-47.8	172.2	-87	-12.9	0	0	0	112.5	R355 L359 K367 A368 R369 Q373 R374 V375	R355-D371 WeakPolarHBondContact CB-OD2 3.48Å; R355-D371 WeakPolarHBondContact CG-OD2 3.44Å; R355-D371 IonicContact CZ-OD1 3.02Å; R355-D371 IonicContact CZ-OD2 3.46Å; R355-D371 IonicContact NE-OD1 2.89Å; R355-D371 PolarHBondContact NE-OD1 3.12Å; R355-D371 IonicContact NE-OD2 2.85Å; R355-D371 PolarHBondContact NE-OD2 3.48Å; R355-D371 IonicContact NH2-OD1 3.77Å; R355-D371 PolarHBondContact NH2-OD1 3.04Å; R355-D371 IonicContact NH2-OD2 3.68Å; L359-D371 WeakPolarHBondContact CD1-OD2 3.36Å; K367-D371 PolarHBondContact O-N 3.44Å; K367-D371 VanDerWaalsContact O-N 3.09Å; A368-D371 PolarHBondContact O-N 2.97Å; R369-D371 VanDerWaalsContact C-N 3.33Å; R369-D371 PolarHBondContact O-N 3.45Å; D371-Q373 VanDerWaalsContact C-N 3.31Å; D371-Q373 PolarHBondContact O-N 3.1Å; D371-R374 WeakPolarHBondContact O-CB 3.19Å; D371-R374 PolarHBondContact O-N 3.04Å; D371-R374 VanDerWaalsContact O-N 3.14Å; D371-V375 WeakPolarHBondContact O-CG2 3.46Å; D371-V375 PolarHBondContact O-N 2.96Å
372	F	98.6	Very high	97.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.3	-36.4	177.2	-66.1	-54.8	0	0	0	112.3	F353 E357 A368 R369 R374 V375 V376 Q388 V389	F353-F372 HydrophobicContact CD1-CE1 4.5Å; F353-F372 AromaticContact CD2-CD1 3.89Å; F353-F372 HydrophobicContact CD2-CD1 3.89Å; F353-F372 AromaticContact CD2-CE1 3.86Å; F353-F372 HydrophobicContact CD2-CE1 3.86Å; F353-F372 HydrophobicContact CE1-CE1 4.5Å; F353-F372 HydrophobicContact CE2-CD1 4.01Å; F353-F372 AromaticContact CE2-CE1 3.85Å; F353-F372 HydrophobicContact CE2-CE1 3.85Å; F353-F372 HydrophobicContact CG-CE1 4.2Å; F353-F372 HydrophobicContact CZ-CE1 4.18Å; F353-F372 WeakPolarHBondContact O-CE1 3.41Å; E357-F372 HydrophobicContact CG-CE1 4.25Å; E357-F372 HydrophobicContact CG-CZ 4Å; A368-F372 HydrophobicContact CB-CE2 4.25Å; A368-F372 WeakPolarHBondContact O-CD2 3.39Å; A368-F372 WeakPolarHBondContact O-CG 3.4Å; A368-F372 PolarHBondContact O-N 3.2Å; R369-F372 PolarHBondContact O-N 2.85Å; F372-R374 VanDerWaalsContact C-N 3.32Å; F372-V375 WeakPolarHBondContact O-CB 3.25Å; F372-V375 PolarHBondContact O-N 3.36Å; F372-V376 WeakPolarHBondContact O-CG2 3.39Å; F372-V376 PolarHBondContact O-N 3.39Å; F372-Q388 HydrophobicContact CB-CB 4.43Å; F372-Q388 HydrophobicContact CD1-CB 3.83Å; F372-Q388 HydrophobicContact CD1-CG 4.31Å; F372-Q388 HydrophobicContact CD2-CB 3.55Å; F372-Q388 HydrophobicContact CE1-CB 3.85Å; F372-Q388 HydrophobicContact CE1-CG 3.91Å; F372-Q388 HydrophobicContact CE2-CB 3.59Å; F372-Q388 HydrophobicContact CE2-CG 4.16Å; F372-Q388 HydrophobicContact CG-CB 3.68Å; F372-Q388 HydrophobicContact CZ-CB 3.72Å; F372-Q388 HydrophobicContact CZ-CG 3.81Å; F372-V389 HydrophobicContact CB-CG2 3.58Å
373	Q	98.3	Very high	97.4	Very high	63 Å²	63	65.5 Å²	65.5	29%	0.294	32%	0.321	S	S	.	.	H	α-helix	trans	-63.8	-40	173.3	-77.6	178.9	-13.3	0	0	111.2	R369 D370 D371 V375 V376 Q377 V389	R369-Q373 HydrophobicContact CG-CG 4.3Å; R369-Q373 WeakPolarHBondContact O-CB 3.27Å; R369-Q373 VanDerWaalsContact O-CG 3.28Å; R369-Q373 WeakPolarHBondContact O-CG 3.48Å; R369-Q373 PolarHBondContact O-N 3.34Å; D370-Q373 PolarHBondContact O-N 3.41Å; D371-Q373 VanDerWaalsContact C-N 3.31Å; D371-Q373 PolarHBondContact O-N 3.1Å; Q373-V375 VanDerWaalsContact C-N 3.31Å; Q373-V375 PolarHBondContact O-N 3.38Å; Q373-V376 PolarHBondContact O-N 2.91Å; Q373-V376 VanDerWaalsContact O-N 3.15Å; Q373-Q377 VanDerWaalsContact O-CG 3.31Å; Q373-Q377 WeakPolarHBondContact O-CG 3.2Å; Q373-Q377 PolarHBondContact O-N 3.03Å; Q373-V389 HydrophobicContact CG-CG1 4Å; Q373-V389 HydrophobicContact CG-CG2 3.75Å
374	R	97.9	Very high	97.5	Very high	114 Å²	114	62.5 Å²	62.5	43%	0.43	31%	0.312	S	S	.	.	H	α-helix	trans	-61.5	-40.8	174.6	-170.6	60.1	176.2	167.8	0.1	111.6	L352 D370 D371 F372 Q377 L378	L352-R374 HydrophobicContact CD1-CB 4.36Å; L352-R374 HydrophobicContact CD1-CG 3.81Å; L352-R374 HydrophobicContact CD2-CG 4.28Å; D370-R374 WeakPolarHBondContact O-CB 3.44Å; D370-R374 PolarHBondContact O-N 3.2Å; D371-R374 WeakPolarHBondContact O-CB 3.19Å; D371-R374 PolarHBondContact O-N 3.04Å; D371-R374 VanDerWaalsContact O-N 3.14Å; F372-R374 VanDerWaalsContact C-N 3.32Å; R374-Q377 PolarHBondContact O-N 3.04Å; R374-L378 HydrophobicContact CG-CD1 4.22Å; R374-L378 WeakPolarHBondContact O-CG 3.34Å; R374-L378 PolarHBondContact O-N 3.02Å; R374-L378 VanDerWaalsContact O-N 3.07Å
375	V	98.3	Very high	97.5	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.5	-46.7	171.6	177.1	0	0	0	0	111.1	E349 L352 F353 D371 F372 Q373 Q377 L378 Y379 N382 A385	E349-V375 HydrophobicContact CG-CG1 4.08Å; L352-V375 HydrophobicContact CB-CG2 3.43Å; L352-V375 VanDerWaalsContact CB-CG2 3.43Å; L352-V375 HydrophobicContact CD1-CG2 4.29Å; F353-V375 HydrophobicContact CB-CG2 4.19Å; D371-V375 WeakPolarHBondContact O-CG2 3.46Å; D371-V375 PolarHBondContact O-N 2.96Å; F372-V375 WeakPolarHBondContact O-CB 3.25Å; F372-V375 PolarHBondContact O-N 3.36Å; Q373-V375 VanDerWaalsContact C-N 3.31Å; Q373-V375 PolarHBondContact O-N 3.38Å; V375-Q377 VanDerWaalsContact C-N 3.3Å; V375-Q377 PolarHBondContact O-N 2.9Å; V375-L378 PolarHBondContact O-N 3.35Å; V375-Y379 HydrophobicContact CG1-CD2 4.37Å; V375-Y379 CarbonylContact O-C 3.54Å; V375-Y379 WeakPolarHBondContact O-CA 3.33Å; V375-Y379 WeakPolarHBondContact O-CB 3.44Å; V375-Y379 PolarHBondContact O-N 3.26Å; V375-N382 HydrophobicContact CG1-CB 4.16Å; V375-A385 HydrophobicContact CB-CB 3.93Å; V375-A385 HydrophobicContact CG1-CB 3.6Å
376	V	97.9	Very high	97.5	Very high	37 Å²	37	63.3 Å²	63.3	22%	0.224	31%	0.314	C	S	.	.	H	α-helix	trans	-63.5	-35.6	179.6	173.9	0	0	0	0	112.3	F372 Q373 P380 A385 K386	F372-V376 WeakPolarHBondContact O-CG2 3.39Å; F372-V376 PolarHBondContact O-N 3.39Å; Q373-V376 PolarHBondContact O-N 2.91Å; Q373-V376 VanDerWaalsContact O-N 3.15Å; V376-P380 WeakPolarHBondContact O-CA 3.13Å; V376-A385 HydrophobicContact CG2-CB 3.72Å; V376-K386 HydrophobicContact CG1-CG 4.1Å; V376-K386 HydrophobicContact CG2-CB 4.46Å; V376-K386 HydrophobicContact CG2-CG 3.65Å
377	Q	97.3	Very high	97.5	Very high	125 Å²	125	63.8 Å²	63.8	58%	0.584	33%	0.325	S	S	*	.	H	α-helix	trans	-66.8	-45.6	177.2	-72.6	170.2	10.9	0	0	112.1	Q373 R374 V375	Q373-Q377 VanDerWaalsContact O-CG 3.31Å; Q373-Q377 WeakPolarHBondContact O-CG 3.2Å; Q373-Q377 PolarHBondContact O-N 3.03Å; R374-Q377 PolarHBondContact O-N 3.04Å; V375-Q377 VanDerWaalsContact C-N 3.3Å; V375-Q377 PolarHBondContact O-N 2.9Å
378	L	96.9	Very high	97.5	Very high	59 Å²	59	60.8 Å²	60.8	31%	0.309	31%	0.313	S	S	.	.	H	α-helix	trans	-80.9	-32.7	-178	-64.9	176.8	0	0	0	112.5	T347 L352 R374 V375	T347-L378 HydrophobicContact CG2-CD1 4.34Å; L352-L378 HydrophobicContact CD1-CD1 3.99Å; R374-L378 HydrophobicContact CG-CD1 4.22Å; R374-L378 WeakPolarHBondContact O-CG 3.34Å; R374-L378 PolarHBondContact O-N 3.02Å; R374-L378 VanDerWaalsContact O-N 3.07Å; V375-L378 PolarHBondContact O-N 3.35Å
379	Y	96.7	Very high	97.5	Very high	68 Å²	68	61.6 Å²	61.6	27%	0.267	32%	0.318	S	S	.	.			trans	-131.7	73	-173.6	-53.1	-78	0	0	0	111.3	T347 E349 V375 S381 N382	T347-Y379 VanDerWaalsContact O-CE2 3.27Å; T347-Y379 WeakPolarHBondContact O-CE2 3.49Å; T347-Y379 PolarHBondContact O-OH 3.31Å; E349-Y379 HydrophobicContact CB-CD1 4.35Å; E349-Y379 HydrophobicContact CB-CD2 3.66Å; E349-Y379 HydrophobicContact CB-CE1 4.19Å; E349-Y379 HydrophobicContact CB-CE2 3.47Å; E349-Y379 VanDerWaalsContact CB-CE2 3.47Å; E349-Y379 HydrophobicContact CB-CG 4.1Å; E349-Y379 HydrophobicContact CG-CD1 4.37Å; E349-Y379 HydrophobicContact CG-CD2 3.59Å; E349-Y379 HydrophobicContact CG-CE2 3.98Å; E349-Y379 HydrophobicContact CG-CG 3.81Å; V375-Y379 HydrophobicContact CG1-CD2 4.37Å; V375-Y379 CarbonylContact O-C 3.54Å; V375-Y379 WeakPolarHBondContact O-CA 3.33Å; V375-Y379 WeakPolarHBondContact O-CB 3.44Å; V375-Y379 PolarHBondContact O-N 3.26Å; Y379-S381 PolarHBondContact O-N 3.42Å; Y379-N382 WeakPolarHBondContact O-CB 3.33Å; Y379-N382 PolarHBondContact O-N 3.04Å
380	P	96.2	Very high	97.5	Very high	81 Å²	81	62.8 Å²	62.8	53%	0.526	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.9	-172.4	-24.1	34.9	0	0	0	115.4	V376 N382 K386	V376-P380 WeakPolarHBondContact O-CA 3.13Å; P380-N382 VanDerWaalsContact C-N 3.34Å; P380-K386 WeakPolarHBondContact O-CE 3.22Å; P380-K386 PolarHBondContact O-NZ 2.87Å
381	S	96	Very high	97.5	Very high	103 Å²	103	62.2 Å²	62.2	72%	0.72	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-15.3	176.3	54.9	0	0	0	0	113.3	Y379 K383	Y379-S381 PolarHBondContact O-N 3.42Å; S381-K383 PolarHBondContact O-N 2.95Å
382	N	95.4	Very high	97.5	Very high	27 Å²	27	61.6 Å²	61.6	14%	0.144	33%	0.326	C	S	.	.			trans	-71.6	97.6	-179	-169.2	-38.4	0	0	0	111.1	E349 V375 Y379 P380 A384 A385	E349-N382 WeakPolarHBondContact OE1-CB 3.27Å; E349-N382 PolarHBondContact OE1-ND2 3.27Å; V375-N382 HydrophobicContact CG1-CB 4.16Å; Y379-N382 WeakPolarHBondContact O-CB 3.33Å; Y379-N382 PolarHBondContact O-N 3.04Å; P380-N382 VanDerWaalsContact C-N 3.34Å; N382-A384 WeakPolarHBondContact OD1-CB 3.12Å; N382-A384 PolarHBondContact OD1-N 3.48Å; N382-A384 VanDerWaalsContact OD1-N 3.13Å; N382-A385 HydrophobicContact CB-CB 4.22Å; N382-A385 PolarHBondContact OD1-N 2.9Å
383	K	96.9	Very high	97.4	Very high	170 Å²	170	66.2 Å²	66.2	74%	0.739	35%	0.348	S	S	*	.	H	α-helix	trans	-68.5	-33.6	179.2	-66.7	-177.3	-179.9	178.2	0	112.6	S381 A385 K386 S387	S381-K383 PolarHBondContact O-N 2.95Å; K383-A385 VanDerWaalsContact C-N 3.34Å; K383-A385 PolarHBondContact O-N 3.35Å; K383-K386 PolarHBondContact O-N 3.33Å; K383-S387 PolarHBondContact O-N 2.82Å; K383-S387 VanDerWaalsContact O-N 3.12Å; K383-S387 PolarHBondContact O-OG 3.47Å
384	A	97.1	Very high	97.4	Very high	49 Å²	49	69 Å²	69	41%	0.405	36%	0.359	S	S	.	.	H	α-helix	trans	-63.5	-42.9	-179.6	0	0	0	0	0	110.9	F353 N382 K386 S387 Q388	F353-A384 HydrophobicContact CE2-CB 3.85Å; F353-A384 HydrophobicContact CZ-CB 3.79Å; N382-A384 WeakPolarHBondContact OD1-CB 3.12Å; N382-A384 PolarHBondContact OD1-N 3.48Å; N382-A384 VanDerWaalsContact OD1-N 3.13Å; A384-K386 PolarHBondContact O-N 2.9Å; A384-S387 PolarHBondContact O-N 2.67Å; A384-Q388 WeakPolarHBondContact O-CG 3.32Å; A384-Q388 PolarHBondContact O-N 3.49Å
385	A	97.3	Very high	97.3	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-62	-43.3	178.4	0	0	0	0	0	111.5	F353 V375 V376 N382 K383 S387 Q388 V389	F353-A385 HydrophobicContact CD2-CB 4.07Å; F353-A385 HydrophobicContact CE2-CB 4.05Å; V375-A385 HydrophobicContact CB-CB 3.93Å; V375-A385 HydrophobicContact CG1-CB 3.6Å; V376-A385 HydrophobicContact CG2-CB 3.72Å; N382-A385 HydrophobicContact CB-CB 4.22Å; N382-A385 PolarHBondContact OD1-N 2.9Å; K383-A385 VanDerWaalsContact C-N 3.34Å; K383-A385 PolarHBondContact O-N 3.35Å; A385-S387 VanDerWaalsContact C-N 3.34Å; A385-S387 PolarHBondContact O-N 3.11Å; A385-Q388 PolarHBondContact O-N 2.77Å; A385-V389 WeakPolarHBondContact O-CG2 3.43Å; A385-V389 PolarHBondContact O-N 3.28Å
386	K	97.9	Very high	97.2	Very high	101 Å²	101	69.6 Å²	69.6	44%	0.439	36%	0.362	S	S	.	.	H	α-helix	trans	-58.6	-45.2	175.2	-65.5	-178.8	-174.3	176.1	0	112	V376 P380 K383 A384 Q388 V389 V390	V376-K386 HydrophobicContact CG1-CG 4.1Å; V376-K386 HydrophobicContact CG2-CB 4.46Å; V376-K386 HydrophobicContact CG2-CG 3.65Å; P380-K386 WeakPolarHBondContact O-CE 3.22Å; P380-K386 PolarHBondContact O-NZ 2.87Å; K383-K386 PolarHBondContact O-N 3.33Å; A384-K386 PolarHBondContact O-N 2.9Å; K386-Q388 VanDerWaalsContact C-N 3.34Å; K386-Q388 PolarHBondContact O-N 3.44Å; K386-V389 PolarHBondContact O-N 3.02Å; K386-V390 PolarHBondContact O-N 3.37Å
387	S	98.1	Very high	97.2	Very high	81 Å²	81	74.2 Å²	74.2	57%	0.566	38%	0.379	S	S	*	.	H	α-helix	trans	-62.2	-41.4	176.5	-61.9	0	0	0	0	112.1	K383 A384 A385 V390 L391	K383-S387 PolarHBondContact O-N 2.82Å; K383-S387 VanDerWaalsContact O-N 3.12Å; K383-S387 PolarHBondContact O-OG 3.47Å; A384-S387 PolarHBondContact O-N 2.67Å; A385-S387 VanDerWaalsContact C-N 3.34Å; A385-S387 PolarHBondContact O-N 3.11Å; S387-V390 PolarHBondContact O-N 3.38Å; S387-L391 PolarHBondContact O-N 2.9Å
388	Q	98.1	Very high	97.1	Very high	45 Å²	45	71.9 Å²	71.9	21%	0.21	37%	0.368	C	S	.	.	H	α-helix	trans	-66.9	-36.7	178.4	-69.7	-65.4	0.4	0	0	112.8	F353 F372 A384 A385 K386 V390 L391 C392	F353-Q388 HydrophobicContact CE2-CG 4.4Å; F353-Q388 HydrophobicContact CZ-CG 4.24Å; F372-Q388 HydrophobicContact CB-CB 4.43Å; F372-Q388 HydrophobicContact CD1-CB 3.83Å; F372-Q388 HydrophobicContact CD1-CG 4.31Å; F372-Q388 HydrophobicContact CD2-CB 3.55Å; F372-Q388 HydrophobicContact CE1-CB 3.85Å; F372-Q388 HydrophobicContact CE1-CG 3.91Å; F372-Q388 HydrophobicContact CE2-CB 3.59Å; F372-Q388 HydrophobicContact CE2-CG 4.16Å; F372-Q388 HydrophobicContact CG-CB 3.68Å; F372-Q388 HydrophobicContact CZ-CB 3.72Å; F372-Q388 HydrophobicContact CZ-CG 3.81Å; A384-Q388 WeakPolarHBondContact O-CG 3.32Å; A384-Q388 PolarHBondContact O-N 3.49Å; A385-Q388 PolarHBondContact O-N 2.77Å; K386-Q388 VanDerWaalsContact C-N 3.34Å; K386-Q388 PolarHBondContact O-N 3.44Å; Q388-V390 VanDerWaalsContact C-N 3.33Å; Q388-V390 PolarHBondContact O-N 2.82Å; Q388-L391 PolarHBondContact O-N 3.33Å; Q388-C392 PolarHBondContact O-N 3.2Å; Q388-C392 PolarHBondContact O-SG 3.03Å
389	V	97.9	Very high	96.9	Very high	17 Å²	17	72.4 Å²	72.4	10%	0.103	37%	0.369	C	S	.	.	H	α-helix	trans	-57.3	-47	172.9	172.1	0	0	0	0	111.1	R369 F372 Q373 A385 K386 L391 C392 Q393	R369-V389 HydrophobicContact CG-CG1 4.24Å; F372-V389 HydrophobicContact CB-CG2 3.58Å; Q373-V389 HydrophobicContact CG-CG1 4Å; Q373-V389 HydrophobicContact CG-CG2 3.75Å; A385-V389 WeakPolarHBondContact O-CG2 3.43Å; A385-V389 PolarHBondContact O-N 3.28Å; K386-V389 PolarHBondContact O-N 3.02Å; V389-L391 VanDerWaalsContact C-N 3.33Å; V389-L391 PolarHBondContact O-N 2.83Å; V389-C392 PolarHBondContact O-N 3.43Å; V389-Q393 WeakPolarHBondContact O-CG 3.44Å; V389-Q393 PolarHBondContact O-N 2.95Å
390	V	97.9	Very high	96.7	Very high	92 Å²	92	74.5 Å²	74.5	56%	0.558	38%	0.381	S	S	*	.	H	α-helix	trans	-63.8	-41.2	178.5	176.7	0	0	0	0	110.8	K386 S387 Q388 Q393 K394	K386-V390 PolarHBondContact O-N 3.37Å; S387-V390 PolarHBondContact O-N 3.38Å; Q388-V390 VanDerWaalsContact C-N 3.33Å; Q388-V390 PolarHBondContact O-N 2.82Å; V390-Q393 PolarHBondContact O-N 2.96Å; V390-K394 PolarHBondContact O-N 3.09Å
391	L	98	Very high	96.6	Very high	62 Å²	62	75.1 Å²	75.1	33%	0.325	38%	0.377	S	S	.	.	H	α-helix	trans	-63.1	-44.2	176.9	-176	60	0	0	0	111.8	F360 S387 Q388 V389 K394 R395	F360-L391 HydrophobicContact CE1-CD2 4.46Å; F360-L391 HydrophobicContact CE2-CD2 4.14Å; F360-L391 HydrophobicContact CE2-CG 3.97Å; F360-L391 HydrophobicContact CZ-CD2 3.75Å; F360-L391 HydrophobicContact CZ-CG 3.87Å; S387-L391 PolarHBondContact O-N 2.9Å; Q388-L391 PolarHBondContact O-N 3.33Å; V389-L391 VanDerWaalsContact C-N 3.33Å; V389-L391 PolarHBondContact O-N 2.83Å; L391-K394 WeakPolarHBondContact O-CB 3.37Å; L391-K394 PolarHBondContact O-N 3.11Å; L391-R395 WeakPolarHBondContact O-CG 3.36Å; L391-R395 PolarHBondContact O-N 3.49Å
392	C	98.1	Very high	96.5	Very high	0 Å²	0	75.6 Å²	75.6	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-60.2	-46.9	175.8	-64	0	0	0	0	111	R369 Q388 V389 K394 R395 I396	R369-C392 HydrophobicContact CB-CB 3.7Å; R369-C392 HydrophobicContact CG-CB 4.23Å; Q388-C392 PolarHBondContact O-N 3.2Å; Q388-C392 PolarHBondContact O-SG 3.03Å; V389-C392 PolarHBondContact O-N 3.43Å; C392-K394 VanDerWaalsContact C-N 3.28Å; C392-K394 PolarHBondContact O-N 3.21Å; C392-R395 PolarHBondContact O-N 3.42Å; C392-R395 VanDerWaalsContact O-N 3.12Å; C392-I396 WeakPolarHBondContact O-CB 3.48Å; C392-I396 WeakPolarHBondContact O-CG1 3.4Å; C392-I396 PolarHBondContact O-N 3.32Å
393	Q	97.4	Very high	96.2	Very high	97 Å²	97	76.6 Å²	76.6	45%	0.453	37%	0.371	S	S	.	.	H	α-helix	trans	-57.5	-41.1	177	-73.6	173.4	-17.3	0	0	112.6	V389 V390 K397	V389-Q393 WeakPolarHBondContact O-CG 3.44Å; V389-Q393 PolarHBondContact O-N 2.95Å; V390-Q393 PolarHBondContact O-N 2.96Å; Q393-K397 PolarHBondContact O-N 3.15Å; Q393-K397 VanDerWaalsContact O-N 3.11Å
394	K	97.8	Very high	96.1	Very high	122 Å²	122	76.2 Å²	76.2	53%	0.53	37%	0.37	S	S	.	.	H	α-helix	trans	-61.6	-48.6	174.5	179.2	179.3	170	-179.9	0	111.4	V390 L391 C392 K397 E398	V390-K394 PolarHBondContact O-N 3.09Å; L391-K394 WeakPolarHBondContact O-CB 3.37Å; L391-K394 PolarHBondContact O-N 3.11Å; C392-K394 VanDerWaalsContact C-N 3.28Å; C392-K394 PolarHBondContact O-N 3.21Å; K394-K397 PolarHBondContact O-N 3.02Å; K394-E398 WeakPolarHBondContact CE-OE1 3.48Å; K394-E398 IonicContact NZ-OE1 3.93Å; K394-E398 WeakPolarHBondContact O-CG 3.38Å; K394-E398 PolarHBondContact O-N 3.18Å
395	R	97.1	Very high	96	Very high	110 Å²	110	81.3 Å²	81.3	42%	0.415	38%	0.378	S	S	.	.	H	α-helix	trans	-63.5	-41.6	179.7	-68.3	-61.4	-168.7	147.7	6	112.8	F360 F365 L391 C392 K397 E398 Q399	F360-R395 HydrophobicContact CE2-CG 3.95Å; F360-R395 HydrophobicContact CZ-CG 3.85Å; F365-R395 HydrophobicContact CD1-CB 3.78Å; F365-R395 HydrophobicContact CD1-CG 4.25Å; F365-R395 HydrophobicContact CD2-CB 4.04Å; F365-R395 HydrophobicContact CE1-CB 3.88Å; F365-R395 HydrophobicContact CE1-CG 4.03Å; F365-R395 HydrophobicContact CE2-CB 4.13Å; F365-R395 HydrophobicContact CG-CB 3.87Å; F365-R395 HydrophobicContact CZ-CB 4.05Å; F365-R395 HydrophobicContact CZ-CG 4.37Å; L391-R395 WeakPolarHBondContact O-CG 3.36Å; L391-R395 PolarHBondContact O-N 3.49Å; C392-R395 PolarHBondContact O-N 3.42Å; C392-R395 VanDerWaalsContact O-N 3.12Å; R395-K397 VanDerWaalsContact C-N 3.32Å; R395-K397 PolarHBondContact O-N 3.33Å; R395-E398 PolarHBondContact O-N 2.94Å; R395-Q399 WeakPolarHBondContact O-CB 3.36Å; R395-Q399 PolarHBondContact O-N 3.24Å
396	I	96.3	Very high	95.7	Very high	16 Å²	16	84.5 Å²	84.5	8%	0.082	40%	0.395	C	S	.	.	H	α-helix	trans	-57.6	-46.5	174.5	-68.1	164.3	0	0	0	110.2	F365 E366 R369 C392 Q399 H400	F365-I396 HydrophobicContact CB-CD1 4.21Å; F365-I396 HydrophobicContact CB-CG1 3.53Å; E366-I396 HydrophobicContact CG-CD1 4.06Å; E366-I396 HydrophobicContact CG-CG1 4.31Å; R369-I396 HydrophobicContact CB-CD1 4.5Å; C392-I396 WeakPolarHBondContact O-CB 3.48Å; C392-I396 WeakPolarHBondContact O-CG1 3.4Å; C392-I396 PolarHBondContact O-N 3.32Å; I396-Q399 PolarHBondContact O-N 3.33Å; I396-H400 PolarHBondContact O-CD2 3.25Å; I396-H400 PolarHBondContact O-N 2.94Å
397	K	96.3	Very high	95.4	Very high	133 Å²	133	86.9 Å²	86.9	58%	0.578	40%	0.402	S	S	*	.	H	α-helix	trans	-62.7	-46.2	177.6	-172.6	-179.1	176.4	-173.9	0	112.1	Q393 K394 R395 Q399 H400 E401	Q393-K397 PolarHBondContact O-N 3.15Å; Q393-K397 VanDerWaalsContact O-N 3.11Å; K394-K397 PolarHBondContact O-N 3.02Å; R395-K397 VanDerWaalsContact C-N 3.32Å; R395-K397 PolarHBondContact O-N 3.33Å; K397-Q399 VanDerWaalsContact C-N 3.3Å; K397-Q399 PolarHBondContact O-N 3.49Å; K397-H400 PolarHBondContact O-N 3Å; K397-E401 WeakPolarHBondContact CE-OE1 3.44Å; K397-E401 WeakPolarHBondContact O-CG 3.42Å; K397-E401 PolarHBondContact O-N 3.47Å
398	E	94.9	Very high	95.1	Very high	76 Å²	76	85.7 Å²	85.7	36%	0.355	40%	0.397	S	S	.	.	H	α-helix	trans	-60	-40.6	176.7	-72.7	171.9	178.8	0	0	111.9	K394 R395 E401 K402	K394-E398 WeakPolarHBondContact CE-OE1 3.48Å; K394-E398 IonicContact NZ-OE1 3.93Å; K394-E398 WeakPolarHBondContact O-CG 3.38Å; K394-E398 PolarHBondContact O-N 3.18Å; R395-E398 PolarHBondContact O-N 2.94Å; E398-E401 PolarHBondContact O-N 3.39Å; E398-K402 WeakPolarHBondContact O-CB 3.37Å; E398-K402 PolarHBondContact O-N 3.41Å
399	Q	92.7	Very high	94.8	Very high	71 Å²	71	88.1 Å²	88.1	33%	0.332	41%	0.411	S	S	.	.	H	α-helix	trans	-64.1	-49.3	176.9	-173.8	61.7	33.9	0	0	110.9	R395 I396 K397 E401 K402 D403	R395-Q399 WeakPolarHBondContact O-CB 3.36Å; R395-Q399 PolarHBondContact O-N 3.24Å; I396-Q399 PolarHBondContact O-N 3.33Å; K397-Q399 VanDerWaalsContact C-N 3.3Å; K397-Q399 PolarHBondContact O-N 3.49Å; Q399-E401 VanDerWaalsContact C-N 3.34Å; Q399-E401 PolarHBondContact O-N 2.94Å; Q399-K402 WeakPolarHBondContact O-CB 3.31Å; Q399-K402 PolarHBondContact O-N 3.22Å; Q399-K402 VanDerWaalsContact O-N 3.15Å; Q399-D403 PolarHBondContact NE2-OD1 3.1Å; Q399-D403 PolarHBondContact NE2-OD2 3.17Å; Q399-D403 WeakPolarHBondContact O-CB 3.39Å; Q399-D403 VanDerWaalsContact O-CG 3.24Å; Q399-D403 PolarHBondContact O-N 3.44Å
400	H	93	Very high	94.4	Very high	111 Å²	111	91.7 Å²	91.7	51%	0.514	43%	0.428	S	S	.	.	H	α-helix	trans	-59.9	-40.2	175.6	-73.5	-50	0	0	0	113.3	I396 K397 K402 D403 K404	I396-H400 PolarHBondContact O-CD2 3.25Å; I396-H400 PolarHBondContact O-N 2.94Å; K397-H400 PolarHBondContact O-N 3Å; H400-K402 VanDerWaalsContact C-N 3.34Å; H400-D403 PolarHBondContact O-N 3.06Å; H400-K404 VanDerWaalsContact O-CB 3.25Å; H400-K404 WeakPolarHBondContact O-CB 3.45Å; H400-K404 PolarHBondContact O-N 3.37Å
401	E	94.6	Very high	94.2	Very high	95 Å²	95	94.7 Å²	94.7	44%	0.444	43%	0.434	S	S	.	.	H	α-helix	trans	-67.1	-35.8	176.3	-75	176.5	-175.6	0	0	112.3	K397 E398 Q399 R405	K397-E401 WeakPolarHBondContact CE-OE1 3.44Å; K397-E401 WeakPolarHBondContact O-CG 3.42Å; K397-E401 PolarHBondContact O-N 3.47Å; E398-E401 PolarHBondContact O-N 3.39Å; Q399-E401 VanDerWaalsContact C-N 3.34Å; Q399-E401 PolarHBondContact O-N 2.94Å; E401-R405 WeakPolarHBondContact O-CG 3.39Å; E401-R405 PolarHBondContact O-N 3.49Å; E401-R405 PolarHBondContact O-NE 3.46Å
402	K	92.8	Very high	93.8	Very high	112 Å²	112	97 Å²	97	49%	0.487	44%	0.443	S	S	.	.	H	α-helix	trans	-67.4	-48.4	173.6	-172.9	-177.9	177.6	-174	0	110.8	E398 Q399 H400 K404 R405 I406	E398-K402 WeakPolarHBondContact O-CB 3.37Å; E398-K402 PolarHBondContact O-N 3.41Å; Q399-K402 WeakPolarHBondContact O-CB 3.31Å; Q399-K402 PolarHBondContact O-N 3.22Å; Q399-K402 VanDerWaalsContact O-N 3.15Å; H400-K402 VanDerWaalsContact C-N 3.34Å; K402-K404 PolarHBondContact O-N 2.95Å; K402-R405 WeakPolarHBondContact O-CB 3.49Å; K402-R405 PolarHBondContact O-N 3.15Å; K402-R405 VanDerWaalsContact O-N 3.14Å; K402-I406 HydrophobicContact CG-CD1 3.97Å; K402-I406 WeakPolarHBondContact O-CG1 3.15Å; K402-I406 PolarHBondContact O-N 3.41Å
403	D	91.1	Very high	93.4	Very high	48 Å²	48	104.1 Å²	104.1	26%	0.257	47%	0.474	S	S	.	.	H	α-helix	trans	-62.1	-44.6	179.9	-67.9	-16.2	0	0	0	110.8	Q399 H400 R405 I406 Y407	Q399-D403 PolarHBondContact NE2-OD1 3.1Å; Q399-D403 PolarHBondContact NE2-OD2 3.17Å; Q399-D403 WeakPolarHBondContact O-CB 3.39Å; Q399-D403 VanDerWaalsContact O-CG 3.24Å; Q399-D403 PolarHBondContact O-N 3.44Å; H400-D403 PolarHBondContact O-N 3.06Å; D403-R405 VanDerWaalsContact C-N 3.28Å; D403-R405 PolarHBondContact O-N 2.91Å; D403-I406 PolarHBondContact O-N 2.96Å; D403-I406 VanDerWaalsContact O-N 3.1Å; D403-Y407 HydrophobicContact CB-CD2 4.23Å; D403-Y407 HydrophobicContact CB-CE2 4.1Å; D403-Y407 WeakPolarHBondContact O-CD2 3.44Å; D403-Y407 PolarHBondContact O-N 3.28Å
404	K	94.1	Very high	93.1	Very high	163 Å²	163	104.9 Å²	104.9	71%	0.709	48%	0.476	S	S	*	.	H	α-helix	trans	-55.2	-42.5	174.3	-174.1	177.7	-179.1	179.8	0	112.2	H400 K402 A408	H400-K404 VanDerWaalsContact O-CB 3.25Å; H400-K404 WeakPolarHBondContact O-CB 3.45Å; H400-K404 PolarHBondContact O-N 3.37Å; K402-K404 PolarHBondContact O-N 2.95Å; K404-A408 VanDerWaalsContact O-CB 3.26Å; K404-A408 WeakPolarHBondContact O-CB 3.41Å; K404-A408 PolarHBondContact O-N 2.99Å
405	R	94.1	Very high	92.7	Very high	156 Å²	156	101.6 Å²	101.6	59%	0.589	47%	0.472	S	S	*	.	H	α-helix	trans	-67	-43.1	176.1	-75.8	178.8	-73.4	-177.9	-2.8	112.1	E401 K402 D403 A408 N409	E401-R405 WeakPolarHBondContact O-CG 3.39Å; E401-R405 PolarHBondContact O-N 3.49Å; E401-R405 PolarHBondContact O-NE 3.46Å; K402-R405 WeakPolarHBondContact O-CB 3.49Å; K402-R405 PolarHBondContact O-N 3.15Å; K402-R405 VanDerWaalsContact O-N 3.14Å; D403-R405 VanDerWaalsContact C-N 3.28Å; D403-R405 PolarHBondContact O-N 2.91Å; R405-A408 PolarHBondContact O-N 3.14Å; R405-N409 WeakPolarHBondContact O-CB 3.47Å; R405-N409 VanDerWaalsContact O-CG 3.23Å; R405-N409 PolarHBondContact O-N 3.42Å; R405-N409 PolarHBondContact O-ND2 2.93Å
406	I	91.9	Very high	92.3	Very high	67 Å²	67	100.7 Å²	100.7	34%	0.344	47%	0.472	S	S	.	.	H	α-helix	trans	-61.4	-50.1	177.7	-68.7	168.9	0	0	0	110.2	K402 D403 A408 N409 M410	K402-I406 HydrophobicContact CG-CD1 3.97Å; K402-I406 WeakPolarHBondContact O-CG1 3.15Å; K402-I406 PolarHBondContact O-N 3.41Å; D403-I406 PolarHBondContact O-N 2.96Å; D403-I406 VanDerWaalsContact O-N 3.1Å; I406-A408 PolarHBondContact O-N 3.05Å; I406-N409 PolarHBondContact O-N 3.03Å; I406-M410 HydrophobicContact CG2-CE 3.67Å; I406-M410 HydrophobicContact CG2-CG 4.46Å; I406-M410 HydrophobicContact CG2-SD 4.15Å; I406-M410 WeakPolarHBondContact O-CG 3.23Å; I406-M410 PolarHBondContact O-N 3.13Å
407	Y	91.8	Very high	91.8	Very high	150 Å²	150	106.2 Å²	106.2	59%	0.588	49%	0.492	S	S	*	.	H	α-helix	trans	-63.7	-40.9	179.1	-74.1	-64.1	0	0	0	112.5	D403 N409 M410 F411	D403-Y407 HydrophobicContact CB-CD2 4.23Å; D403-Y407 HydrophobicContact CB-CE2 4.1Å; D403-Y407 WeakPolarHBondContact O-CD2 3.44Å; D403-Y407 PolarHBondContact O-N 3.28Å; Y407-N409 PolarHBondContact O-N 2.72Å; Y407-M410 PolarHBondContact O-N 2.96Å; Y407-F411 WeakPolarHBondContact O-CB 3.35Å; Y407-F411 PolarHBondContact O-N 3.44Å
408	A	91.6	Very high	91.4	Very high	57 Å²	57	103.6 Å²	103.6	47%	0.471	49%	0.485	S	S	.	.	H	α-helix	trans	-59.9	-46.3	174.9	0	0	0	0	0	111.8	K404 R405 I406 M410 F411 Q412	K404-A408 VanDerWaalsContact O-CB 3.26Å; K404-A408 WeakPolarHBondContact O-CB 3.41Å; K404-A408 PolarHBondContact O-N 2.99Å; R405-A408 PolarHBondContact O-N 3.14Å; I406-A408 PolarHBondContact O-N 3.05Å; A408-M410 PolarHBondContact O-N 3Å; A408-F411 PolarHBondContact O-N 3.01Å; A408-Q412 PolarHBondContact O-N 3.07Å
409	N	91.3	Very high	91	Very high	95 Å²	95	103.3 Å²	103.3	51%	0.508	49%	0.491	S	S	.	.	H	α-helix	trans	-65.3	-38.1	177.1	-70.7	-15.3	0	0	0	112.3	R405 I406 Y407 K413	R405-N409 WeakPolarHBondContact O-CB 3.47Å; R405-N409 VanDerWaalsContact O-CG 3.23Å; R405-N409 PolarHBondContact O-N 3.42Å; R405-N409 PolarHBondContact O-ND2 2.93Å; I406-N409 PolarHBondContact O-N 3.03Å; Y407-N409 PolarHBondContact O-N 2.72Å; N409-K413 WeakPolarHBondContact O-CG 3.49Å; N409-K413 PolarHBondContact O-N 3.16Å
410	M	89.8	Confident	90.5	Very high	92 Å²	92	106.7 Å²	106.7	45%	0.453	50%	0.504	S	S	.	.	H	α-helix	trans	-64.4	-46	174.8	-76.1	-176.8	179.9	0	0	111.4	I406 Y407 A408 Q412 K413 F414	I406-M410 HydrophobicContact CG2-CE 3.67Å; I406-M410 HydrophobicContact CG2-CG 4.46Å; I406-M410 HydrophobicContact CG2-SD 4.15Å; I406-M410 WeakPolarHBondContact O-CG 3.23Å; I406-M410 PolarHBondContact O-N 3.13Å; Y407-M410 PolarHBondContact O-N 2.96Å; A408-M410 PolarHBondContact O-N 3Å; M410-Q412 VanDerWaalsContact C-N 3.34Å; M410-Q412 PolarHBondContact O-N 3.33Å; M410-K413 PolarHBondContact O-N 3.25Å; M410-F414 HydrophobicContact CB-CD2 4.47Å; M410-F414 HydrophobicContact CB-CE2 4.12Å; M410-F414 WeakPolarHBondContact O-CD2 3.2Å; M410-F414 WeakPolarHBondContact O-CG 3.46Å; M410-F414 PolarHBondContact O-N 3.19Å
411	F	92.8	Very high	89.8	Confident	156 Å²	156	106.2 Å²	106.2	68%	0.684	50%	0.501	S	S	*	.	H	α-helix	trans	-58.5	-45.2	175.8	-104.1	-91.6	0	0	0	111.9	Y407 A408 K413 F414 A415	Y407-F411 WeakPolarHBondContact O-CB 3.35Å; Y407-F411 PolarHBondContact O-N 3.44Å; A408-F411 PolarHBondContact O-N 3.01Å; F411-K413 PolarHBondContact O-N 3.02Å; F411-F414 PolarHBondContact O-N 3.2Å; F411-A415 WeakPolarHBondContact O-CB 3.37Å; F411-A415 PolarHBondContact O-N 3.21Å
412	Q	90.4	Very high	88.9	Confident	111 Å²	111	108 Å²	108	52%	0.519	51%	0.509	S	S	.	.	H	α-helix	trans	-60.7	-46.2	176.7	-175.8	178.7	-10.1	0	0	111.5	A408 M410 F414 A415 E416	A408-Q412 PolarHBondContact O-N 3.07Å; M410-Q412 VanDerWaalsContact C-N 3.34Å; M410-Q412 PolarHBondContact O-N 3.33Å; Q412-F414 VanDerWaalsContact C-N 3.33Å; Q412-F414 PolarHBondContact O-N 3.06Å; Q412-A415 PolarHBondContact O-N 2.81Å; Q412-E416 HydrophobicContact CG-CG 4.47Å; Q412-E416 WeakPolarHBondContact CG-OE1 3.37Å; Q412-E416 PolarHBondContact NE2-OE1 3.33Å; Q412-E416 WeakPolarHBondContact O-CB 3.43Å; Q412-E416 WeakPolarHBondContact O-CG 3.46Å; Q412-E416 PolarHBondContact O-N 2.93Å
413	K	90.3	Very high	88	Confident	149 Å²	149	105.6 Å²	105.6	65%	0.648	51%	0.51	S	S	*	.	H	α-helix	trans	-61.7	-38.6	177.1	-78.1	-176.3	177	-175.2	0	113	N409 M410 F411 R417	N409-K413 WeakPolarHBondContact O-CG 3.49Å; N409-K413 PolarHBondContact O-N 3.16Å; M410-K413 PolarHBondContact O-N 3.25Å; F411-K413 PolarHBondContact O-N 3.02Å; K413-R417 WeakPolarHBondContact O-CB 3.49Å; K413-R417 PolarHBondContact O-N 3.2Å
414	F	90.5	Very high	87	Confident	112 Å²	112	110.2 Å²	110.2	49%	0.491	53%	0.53	S	S	.	.	H	α-helix	trans	-67.9	-44.6	176.3	-68.2	-49.6	0	0	0	111.4	M410 F411 Q412 E416 R417 D418	M410-F414 HydrophobicContact CB-CD2 4.47Å; M410-F414 HydrophobicContact CB-CE2 4.12Å; M410-F414 WeakPolarHBondContact O-CD2 3.2Å; M410-F414 WeakPolarHBondContact O-CG 3.46Å; M410-F414 PolarHBondContact O-N 3.19Å; F411-F414 PolarHBondContact O-N 3.2Å; Q412-F414 VanDerWaalsContact C-N 3.33Å; Q412-F414 PolarHBondContact O-N 3.06Å; F414-E416 VanDerWaalsContact C-N 3.35Å; F414-E416 PolarHBondContact O-N 3.5Å; F414-R417 WeakPolarHBondContact O-CB 3.3Å; F414-R417 PolarHBondContact O-N 3.02Å; F414-R417 VanDerWaalsContact O-N 3.14Å; F414-D418 PolarHBondContact O-N 3.14Å
415	A	89.9	Confident	85.6	Confident	54 Å²	54	111.1 Å²	111.1	45%	0.446	53%	0.534	S	S	.	.	H	α-helix	trans	-60.2	-42.4	175.3	0	0	0	0	0	112.3	F411 Q412 D418 S419	F411-A415 WeakPolarHBondContact O-CB 3.37Å; F411-A415 PolarHBondContact O-N 3.21Å; Q412-A415 PolarHBondContact O-N 2.81Å; A415-D418 PolarHBondContact O-N 2.75Å; A415-S419 WeakPolarHBondContact O-CB 3.49Å; A415-S419 PolarHBondContact O-N 2.98Å; A415-S419 PolarHBondContact O-OG 3.44Å
416	E	88.4	Confident	84	Confident	90 Å²	90	109.3 Å²	109.3	42%	0.421	54%	0.54	S	S	.	.	H	α-helix	trans	-63.4	-39.2	174.5	-75.1	173.8	-167.3	0	0	112	Q412 F414 K420	Q412-E416 HydrophobicContact CG-CG 4.47Å; Q412-E416 WeakPolarHBondContact CG-OE1 3.37Å; Q412-E416 PolarHBondContact NE2-OE1 3.33Å; Q412-E416 WeakPolarHBondContact O-CB 3.43Å; Q412-E416 WeakPolarHBondContact O-CG 3.46Å; Q412-E416 PolarHBondContact O-N 2.93Å; F414-E416 VanDerWaalsContact C-N 3.35Å; F414-E416 PolarHBondContact O-N 3.5Å; E416-K420 WeakPolarHBondContact O-CB 3.49Å; E416-K420 WeakPolarHBondContact O-CG 3.39Å; E416-K420 PolarHBondContact O-N 3.34Å
417	R	86.2	Confident	81.9	Confident	133 Å²	133	114.1 Å²	114.1	50%	0.502	56%	0.559	S	S	.	*	H	α-helix	trans	-66.8	-43.7	177	-167.9	-177.5	82.7	165.9	2.8	111.7	K413 F414 K420 K421	K413-R417 WeakPolarHBondContact O-CB 3.49Å; K413-R417 PolarHBondContact O-N 3.2Å; F414-R417 WeakPolarHBondContact O-CB 3.3Å; F414-R417 PolarHBondContact O-N 3.02Å; F414-R417 VanDerWaalsContact O-N 3.14Å; R417-K420 PolarHBondContact O-N 3.13Å; R417-K421 WeakPolarHBondContact O-CG 3.27Å; R417-K421 PolarHBondContact O-N 2.74Å
418	D	87.4	Confident	79.7	Confident	78 Å²	78	112.1 Å²	112.1	42%	0.417	56%	0.564	S	S	.	*	H	α-helix	trans	-68.4	-40.2	-179.8	-66.6	-17.3	0	0	0	110.4	F414 A415 K420 K421 E422	F414-D418 PolarHBondContact O-N 3.14Å; A415-D418 PolarHBondContact O-N 2.75Å; D418-K420 VanDerWaalsContact C-N 3.35Å; D418-K420 PolarHBondContact O-N 3.16Å; D418-K421 PolarHBondContact O-N 3.27Å; D418-E422 PolarHBondContact O-N 3.12Å
419	S	86.6	Confident	77.4	Confident	70 Å²	70	118.5 Å²	118.5	49%	0.49	58%	0.584	S	S	.	*	H	α-helix	trans	-60.9	-40.4	172.1	-56.6	0	0	0	0	112.4	A415 E422 A423	A415-S419 WeakPolarHBondContact O-CB 3.49Å; A415-S419 PolarHBondContact O-N 2.98Å; A415-S419 PolarHBondContact O-OG 3.44Å; S419-E422 PolarHBondContact O-N 3.25Å; S419-A423 WeakPolarHBondContact O-CB 3.33Å; S419-A423 PolarHBondContact O-N 2.91Å
420	K	81.8	Confident	75.3	Confident	141 Å²	141	118.9 Å²	118.9	61%	0.613	59%	0.594	S	S	*	*	H	α-helix	trans	-65.1	-41.8	174.7	-78.7	179	-177.5	-179.8	0	112.2	E416 R417 D418 E422 A423 E424	E416-K420 WeakPolarHBondContact O-CB 3.49Å; E416-K420 WeakPolarHBondContact O-CG 3.39Å; E416-K420 PolarHBondContact O-N 3.34Å; R417-K420 PolarHBondContact O-N 3.13Å; D418-K420 VanDerWaalsContact C-N 3.35Å; D418-K420 PolarHBondContact O-N 3.16Å; K420-E422 VanDerWaalsContact C-N 3.35Å; K420-A423 PolarHBondContact O-N 3.13Å; K420-E424 WeakPolarHBondContact O-CG 3.29Å; K420-E424 PolarHBondContact O-N 2.73Å
421	K	78.4	Confident	73.1	Confident	102 Å²	102	123.7 Å²	123.7	44%	0.443	61%	0.613	S	S	.	*	H	α-helix	trans	-64.4	-38.4	175.6	-76.5	-178.1	175.5	-172.6	0	112.4	R417 D418 K425	R417-K421 WeakPolarHBondContact O-CG 3.27Å; R417-K421 PolarHBondContact O-N 2.74Å; D418-K421 PolarHBondContact O-N 3.27Å; K421-K425 WeakPolarHBondContact O-CG 3.49Å; K421-K425 PolarHBondContact O-N 3.01Å
422	E	76.4	Confident	70.7	Confident	132 Å²	132	124.6 Å²	124.6	62%	0.617	62%	0.619	S	S	*	*	H	α-helix	trans	-67.8	-42.6	174.1	-74.6	-177.3	168.7	0	0	111.4	D418 S419 K420 E424 K425 V426	D418-E422 PolarHBondContact O-N 3.12Å; S419-E422 PolarHBondContact O-N 3.25Å; K420-E422 VanDerWaalsContact C-N 3.35Å; E422-E424 VanDerWaalsContact C-N 3.29Å; E422-E424 PolarHBondContact O-N 3.36Å; E422-K425 WeakPolarHBondContact O-CB 3.36Å; E422-K425 PolarHBondContact O-N 3.5Å; E422-K425 VanDerWaalsContact O-N 3.08Å; E422-V426 VanDerWaalsContact O-CG2 3.32Å; E422-V426 WeakPolarHBondContact O-CG2 3.1Å; E422-V426 PolarHBondContact O-N 3.02Å; E422-V426 VanDerWaalsContact O-N 3.14Å
423	A	73.8	Confident	68	Low	61 Å²	61	126.8 Å²	126.8	50%	0.504	63%	0.634	S	S	.	*	H	α-helix	trans	-63.5	-32.8	175.4	0	0	0	0	0	113	S419 K420 V426 K427	S419-A423 WeakPolarHBondContact O-CB 3.33Å; S419-A423 PolarHBondContact O-N 2.91Å; K420-A423 PolarHBondContact O-N 3.13Å; A423-V426 PolarHBondContact O-N 3.36Å; A423-K427 PolarHBondContact O-N 3.37Å
424	E	69.5	Low	65.8	Low	146 Å²	146	122.8 Å²	122.8	68%	0.682	64%	0.636	S	S	*	*	H	α-helix	trans	-69.3	-31.2	172.3	-77.1	174.2	174	0	0	112.8	K420 E422	K420-E424 WeakPolarHBondContact O-CG 3.29Å; K420-E424 PolarHBondContact O-N 2.73Å; E422-E424 VanDerWaalsContact C-N 3.29Å; E422-E424 PolarHBondContact O-N 3.36Å
425	K	65.1	Low	63.2	Low	181 Å²	181	126.3 Å²	126.3	79%	0.787	65%	0.654	S	S	*	*	H	α-helix	trans	-75.2	-21.5	174.1	-74.6	179.9	178.4	-176.3	0	114	K421 E422	K421-K425 WeakPolarHBondContact O-CG 3.49Å; K421-K425 PolarHBondContact O-N 3.01Å; E422-K425 WeakPolarHBondContact O-CB 3.36Å; E422-K425 PolarHBondContact O-N 3.5Å; E422-K425 VanDerWaalsContact O-N 3.08Å
426	V	60.4	Low	60.8	Low	119 Å²	119	133.1 Å²	133.1	72%	0.721	68%	0.676	S	S	*	*	S	Bend	trans	-100	-1.6	-174.4	179	0	0	0	0	112.5	E422 A423 P428	E422-V426 VanDerWaalsContact O-CG2 3.32Å; E422-V426 WeakPolarHBondContact O-CG2 3.1Å; E422-V426 PolarHBondContact O-N 3.02Å; E422-V426 VanDerWaalsContact O-N 3.14Å; A423-V426 PolarHBondContact O-N 3.36Å; V426-P428 WeakPolarHBondContact O-CD 3.33Å
427	K	47.7	Very low	58.3	Low	167 Å²	167	133.6 Å²	133.6	73%	0.726	70%	0.696	S	S	*	*	S	Bend	trans	-65.5	120.4	168.6	-85.9	-175	175.6	178.9	0	109.5	A423 E429	A423-K427 PolarHBondContact O-N 3.37Å; K427-E429 PolarHBondContact O-N 2.74Å
428	P	44.8	Very low	55.8	Low	109 Å²	109	136.2 Å²	136.2	71%	0.708	72%	0.716	S	S	*	*			trans	-67.5	133.3	175.2	27.9	-31	0	0	0	109	V426 S430	V426-P428 WeakPolarHBondContact O-CD 3.33Å; P428-S430 PolarHBondContact O-N 2.72Å
429	E	45	Very low	53.4	Low	190 Å²	190	141.4 Å²	141.4	89%	0.888	74%	0.738	S	S	*	*			trans	-48.8	110.2	160.7	-75.1	175.9	160.9	0	0	107.9	K427	K427-E429 PolarHBondContact O-N 2.74Å
430	S	45.6	Very low	51	Low	103 Å²	103	144.1 Å²	144.1	72%	0.72	75%	0.751	S	S	*	*			trans	-116.7	110.7	161.6	45	0	0	0	0	107	P428	P428-S430 PolarHBondContact O-N 2.72Å
431	K	43.5	Very low	48.9	Very low	193 Å²	193	145.1 Å²	145.1	84%	0.839	76%	0.758	S	S	*	*	S	Bend	trans	82	121	-178.2	-57.5	-174	179	-172.3	0	112.5
432	E	43.3	Very low	46.8	Very low	175 Å²	175	147.2 Å²	147.2	82%	0.818	77%	0.774	S	S	*	*			cis	-159.9	126.2	29.7	-105.1	153.4	-177.7	0	0	107
433	N	34.1	Very low	44.8	Very low	157 Å²	157	144.3 Å²	144.3	84%	0.84	78%	0.78	S	S	*	*			trans	-114.2	100.1	155.1	-88.7	-0.5	0	0	0	106.8
434	G	43.8	Very low	43.1	Very low	66 Å²	66	148.8 Å²	148.8	68%	0.68	79%	0.79	S	S	*	*			trans	-66.2	141.1	142.8	0	0	0	0	0	107.7
435	E	36.3	Very low	41.7	Very low	186 Å²	186	149 Å²	149	87%	0.869	79%	0.789	S	S	*	*			trans	-152.2	122.1	147	-115.2	170.8	-167.3	0	0	108.3	A437	E435-A437 PolarHBondContact O-N 2.76Å
436	E	38.8	Very low	40.4	Very low	196 Å²	196	147.6 Å²	147.6	92%	0.916	79%	0.785	S	S	*	*			trans	-53.9	124.7	170.1	-70	166.6	132.2	0	0	109.7	M438	E436-M438 PolarHBondContact O-N 2.98Å
437	A	35.3	Very low	39.7	Very low	100 Å²	100	147.5 Å²	147.5	83%	0.826	79%	0.785	S	S	*	*			trans	-80	113	163.6	0	0	0	0	0	108.5	E435	E435-A437 PolarHBondContact O-N 2.76Å
438	M	34.6	Very low	39.5	Very low	189 Å²	189	152 Å²	152	93%	0.931	81%	0.808	S	S	*	*			trans	-94.2	98.1	167.4	-157.1	-178.9	-163.8	0	0	107.9	E436	E436-M438 PolarHBondContact O-N 2.98Å
439	E	36.7	Very low	39.3	Very low	187 Å²	187	154.1 Å²	154.1	87%	0.874	81%	0.813	S	S	*	*			trans	-112	105.6	165.4	-86.1	-171.6	162.3	0	0	110.1
440	V	36	Very low	38.9	Very low	126 Å²	126	152.2 Å²	152.2	76%	0.764	81%	0.809	S	S	*	*			trans	31.1	112.4	135.5	-168.8	0	0	0	0	119
441	E	37.2	Very low	38.6	Very low	162 Å²	162	154.9 Å²	154.9	76%	0.757	81%	0.814	S	S	*	*			trans	34.5	128.4	135.6	-91.4	-173.7	151	0	0	122.7
442	N	34.3	Very low	38.3	Very low	146 Å²	146	152.7 Å²	152.7	78%	0.781	81%	0.813	S	S	*	*			trans	91.5	118.6	132.7	-70.8	-24	0	0	0	119.6
443	G	34.5	Very low	38	Very low	72 Å²	72	151.3 Å²	151.3	74%	0.742	81%	0.812	S	S	*	*			trans	151.3	80	148	0	0	0	0	0	116.1
444	E	39.1	Very low	38.2	Very low	154 Å²	154	150.9 Å²	150.9	72%	0.72	81%	0.811	S	S	*	*			trans	52.5	133.2	134.6	-71.5	-163.1	158.2	0	0	122.8
445	K	39.3	Very low	37.8	Very low	151 Å²	151	157 Å²	157	66%	0.657	82%	0.82	S	S	*	*			trans	73.1	144.8	140.9	-71	171.8	-178.1	142.3	0	115.9
446	E	39.2	Very low	38	Very low	151 Å²	151	154.8 Å²	154.8	71%	0.706	82%	0.816	S	S	*	*			cis	-166	153.4	12.3	-127.3	161.4	-163.6	0	0	106.2
447	T	45.3	Very low	37.9	Very low	117 Å²	117	151.3 Å²	151.3	72%	0.718	81%	0.808	S	S	*	*			trans	21	130	143.9	45.4	0	0	0	0	118.6
448	Q	43.2	Very low	38.1	Very low	261 Å²	261	156 Å²	156	100%	1.22	81%	0.806	S	S	*	*				-167.6	0	60.7	-130.4	166.8	23.6	0	0	110.8

Retrieved 448 of 448 residues in 243.1 ms (Link to these results)

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