A0A077ZAE9_TRITR Loading...

Ran GTPase-activating protein 1

AlphaFold DB , UniProt , Accession A0A077ZAE9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 589 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	27.4	Very low	36.1	Very low	61 Å²	61	61.8 Å²	61.8	30%	0.3	35%	0.348	S	S	.	.				0	-52.9	0	-160.7	176.2	-66.1	0	0	111.1	A3 R4 D5 L420 V454	M1-A3 PolarHBondContact O-N 3.39Å; M1-R4 WeakPolarHBondContact O-CA 3.44Å; M1-R4 VanDerWaalsContact O-CB 3.31Å; M1-R4 WeakPolarHBondContact O-CB 3.33Å; M1-R4 PolarHBondContact O-N 2.89Å; M1-D5 PolarHBondContact O-N 3.48Å; M1-L420 HydrophobicContact CB-CD1 4.19Å; M1-L420 HydrophobicContact CB-CD2 3.68Å; M1-L420 HydrophobicContact CB-CG 4.47Å; M1-V454 HydrophobicContact CE-CG1 4.24Å; M1-V454 HydrophobicContact CE-CG2 4.07Å; M1-V454 HydrophobicContact SD-CG2 4.39Å
2	E	28.3	Very low	36.5	Very low	117 Å²	117	57.9 Å²	57.9	55%	0.547	33%	0.325	S	S	.	.	H	α-helix	trans	-57.3	-33.7	168.2	-69	-165.5	158.8	0	0	112.5	R4 S6	E2-R4 VanDerWaalsContact C-N 3.33Å; E2-S6 WeakPolarHBondContact O-CA 3.27Å; E2-S6 WeakPolarHBondContact O-CB 3.2Å; E2-S6 PolarHBondContact O-N 3.39Å; E2-S6 PolarHBondContact O-OG 2.78Å
3	A	29.9	Very low	37	Very low	47 Å²	47	60.6 Å²	60.6	39%	0.388	33%	0.334	S	S	.	.	H	α-helix	trans	-70.2	-26.1	171	0	0	0	0	0	113.7	M1 A7	M1-A3 PolarHBondContact O-N 3.39Å; A3-A7 WeakPolarHBondContact O-CB 3.13Å; A3-A7 PolarHBondContact O-N 3Å
4	R	35.8	Very low	37.1	Very low	70 Å²	70	63.6 Å²	63.6	26%	0.264	35%	0.349	S	S	.	.	H	α-helix	trans	-74.7	-48.5	175.9	179	-171	-179	167.9	10.2	109.6	M1 E2 L8 D274	M1-R4 WeakPolarHBondContact O-CA 3.44Å; M1-R4 VanDerWaalsContact O-CB 3.31Å; M1-R4 WeakPolarHBondContact O-CB 3.33Å; M1-R4 PolarHBondContact O-N 2.89Å; E2-R4 VanDerWaalsContact C-N 3.33Å; R4-L8 HydrophobicContact CG-CD1 4.37Å; R4-L8 WeakPolarHBondContact O-CB 3.23Å; R4-L8 WeakPolarHBondContact O-CD1 3.48Å; R4-L8 WeakPolarHBondContact O-CG 2.93Å; R4-L8 PolarHBondContact O-N 3.24Å; R4-D274 IonicContact NH2-OD2 2.75Å
5	D	34.8	Very low	37.7	Very low	74 Å²	74	64.6 Å²	64.6	40%	0.396	35%	0.353	S	S	.	.	H	α-helix	trans	-75.3	-55	178.5	-67.1	-15.9	0	0	0	109.3	M1 A7 L8 T9	M1-D5 PolarHBondContact O-N 3.48Å; D5-A7 VanDerWaalsContact C-N 3.28Å; D5-A7 PolarHBondContact O-N 2.87Å; D5-A7 VanDerWaalsContact O-N 3.11Å; D5-L8 PolarHBondContact O-N 2.72Å; D5-L8 VanDerWaalsContact O-N 3.13Å; D5-T9 HydrophobicContact CB-CG2 4.07Å; D5-T9 WeakPolarHBondContact O-CA 3.3Å; D5-T9 WeakPolarHBondContact O-CB 3.29Å; D5-T9 VanDerWaalsContact O-CG2 3.28Å; D5-T9 WeakPolarHBondContact O-CG2 2.99Å; D5-T9 PolarHBondContact O-N 3.48Å; D5-T9 PolarHBondContact O-OG1 2.86Å
6	S	34.9	Very low	38.3	Very low	78 Å²	78	65.7 Å²	65.7	55%	0.545	37%	0.367	S	S	.	.	H	α-helix	trans	-62.9	-22.9	-179.4	73.7	0	0	0	0	116.2	E2	E2-S6 WeakPolarHBondContact O-CA 3.27Å; E2-S6 WeakPolarHBondContact O-CB 3.2Å; E2-S6 PolarHBondContact O-N 3.39Å; E2-S6 PolarHBondContact O-OG 2.78Å
7	A	38.3	Very low	39.3	Very low	36 Å²	36	63.1 Å²	63.1	30%	0.298	35%	0.352	S	S	.	.	H	α-helix	trans	-88.5	-19.9	176.2	0	0	0	0	0	113.7	A3 D5 I270 L299	A3-A7 WeakPolarHBondContact O-CB 3.13Å; A3-A7 PolarHBondContact O-N 3Å; D5-A7 VanDerWaalsContact C-N 3.28Å; D5-A7 PolarHBondContact O-N 2.87Å; D5-A7 VanDerWaalsContact O-N 3.11Å; A7-I270 HydrophobicContact CB-CD1 3.74Å; A7-I270 WeakPolarHBondContact O-CD1 3.42Å; A7-L299 HydrophobicContact CB-CD2 4.26Å
8	L	42.2	Very low	40.1	Very low	31 Å²	31	64.2 Å²	64.2	16%	0.162	36%	0.361	C	S	.	.	H	α-helix	trans	-111.5	-23.9	179.1	-64.9	167	0	0	0	113.4	R4 D5 S10 V242 D244 I270 N272 I301	R4-L8 HydrophobicContact CG-CD1 4.37Å; R4-L8 WeakPolarHBondContact O-CB 3.23Å; R4-L8 WeakPolarHBondContact O-CD1 3.48Å; R4-L8 WeakPolarHBondContact O-CG 2.93Å; R4-L8 PolarHBondContact O-N 3.24Å; D5-L8 PolarHBondContact O-N 2.72Å; D5-L8 VanDerWaalsContact O-N 3.13Å; L8-S10 PolarHBondContact O-N 3.4Å; L8-V242 HydrophobicContact CD2-CG1 4.14Å; L8-D244 HydrophobicContact CD2-CB 4.18Å; L8-I270 HydrophobicContact CD2-CG2 4.05Å; L8-N272 WeakPolarHBondContact CD1-ND2 3.36Å; L8-I301 HydrophobicContact CD1-CD1 4.29Å
9	T	39.5	Very low	41	Very low	28 Å²	28	67 Å²	67	17%	0.172	38%	0.375	C	S	.	.	S	Bend	trans	-86.3	110.2	174.9	64.4	0	0	0	0	107.7	D5 E13 N14	D5-T9 HydrophobicContact CB-CG2 4.07Å; D5-T9 WeakPolarHBondContact O-CA 3.3Å; D5-T9 WeakPolarHBondContact O-CB 3.29Å; D5-T9 VanDerWaalsContact O-CG2 3.28Å; D5-T9 WeakPolarHBondContact O-CG2 2.99Å; D5-T9 PolarHBondContact O-N 3.48Å; D5-T9 PolarHBondContact O-OG1 2.86Å; T9-E13 WeakPolarHBondContact CB-OE2 3.45Å; T9-E13 WeakPolarHBondContact CG2-OE2 3.27Å; T9-N14 PolarHBondContact OG1-ND2 2.9Å
10	S	44.5	Very low	42.1	Very low	9 Å²	9	68 Å²	68	6%	0.063	38%	0.379	C	S	.	.			trans	-49.9	156.6	-177.9	66.9	0	0	0	0	113	L8 L12 E13 N14	L8-S10 PolarHBondContact O-N 3.4Å; S10-L12 PolarHBondContact O-N 2.71Å; S10-L12 WeakPolarHBondContact OG-CB 2.97Å; S10-L12 PolarHBondContact OG-N 2.73Å; S10-E13 PolarHBondContact O-N 2.97Å; S10-E13 PolarHBondContact OG-N 2.93Å; S10-N14 PolarHBondContact O-N 2.63Å
11	D	41.7	Very low	43.7	Very low	129 Å²	129	68.7 Å²	68.7	69%	0.69	39%	0.386	S	S	*	.	H	α-helix	trans	-48.2	-26.1	164.6	-68.2	-39.7	0	0	0	112.3	L15	D11-L15 WeakPolarHBondContact O-CB 3.42Å; D11-L15 VanDerWaalsContact O-CD1 3.23Å; D11-L15 WeakPolarHBondContact O-CD1 3.1Å; D11-L15 WeakPolarHBondContact O-CG 3.25Å; D11-L15 PolarHBondContact O-N 3.41Å
12	L	40.9	Very low	46.2	Very low	15 Å²	15	71.8 Å²	71.8	8%	0.079	40%	0.403	C	S	.	.	H	α-helix	trans	-75.4	-35.1	178.8	-68.7	160.5	0	0	0	113.6	S10 N14 I85 V118 E148 L150	S10-L12 PolarHBondContact O-N 2.71Å; S10-L12 WeakPolarHBondContact OG-CB 2.97Å; S10-L12 PolarHBondContact OG-N 2.73Å; L12-N14 VanDerWaalsContact C-N 3.33Å; L12-I85 HydrophobicContact CD2-CD1 3.99Å; L12-V118 HydrophobicContact CD1-CG1 3.68Å; L12-E148 WeakPolarHBondContact CD1-OE2 3.45Å; L12-L150 HydrophobicContact CD1-CD1 4.48Å
13	E	42.5	Very low	49.1	Very low	93 Å²	93	66.5 Å²	66.5	44%	0.435	38%	0.38	S	S	.	.	H	α-helix	trans	-67.8	-39.1	175.2	-75.5	-173.1	-172.5	0	0	110.7	T9 S10	T9-E13 WeakPolarHBondContact CB-OE2 3.45Å; T9-E13 WeakPolarHBondContact CG2-OE2 3.27Å; S10-E13 PolarHBondContact O-N 2.97Å; S10-E13 PolarHBondContact OG-N 2.93Å
14	N	39.3	Very low	52	Low	102 Å²	102	65.9 Å²	65.9	55%	0.545	37%	0.37	S	S	.	.	H	α-helix	trans	-83.5	-17.2	-177.7	-71	-48	0	0	0	114.6	T9 S10 L12 S16	T9-N14 PolarHBondContact OG1-ND2 2.9Å; S10-N14 PolarHBondContact O-N 2.63Å; L12-N14 VanDerWaalsContact C-N 3.33Å; N14-S16 VanDerWaalsContact C-N 3.34Å; N14-S16 PolarHBondContact O-N 3.48Å
15	L	45.1	Very low	54.7	Low	79 Å²	79	62.7 Å²	62.7	41%	0.414	36%	0.358	S	S	.	.			trans	-70.6	96.4	169.2	-80	156.9	0	0	0	108	D11 L17	D11-L15 WeakPolarHBondContact O-CB 3.42Å; D11-L15 VanDerWaalsContact O-CD1 3.23Å; D11-L15 WeakPolarHBondContact O-CD1 3.1Å; D11-L15 WeakPolarHBondContact O-CG 3.25Å; D11-L15 PolarHBondContact O-N 3.41Å; L15-L17 HydrophobicContact CB-CD1 4.39Å; L15-L17 HydrophobicContact CB-CD2 3.79Å; L15-L17 HydrophobicContact CB-CG 3.71Å; L15-L17 HydrophobicContact CD1-CD2 4.22Å; L15-L17 HydrophobicContact CD2-CD2 3.91Å; L15-L17 HydrophobicContact CG-CD2 4.2Å; L15-L17 PolarHBondContact O-N 2.88Å
16	S	48.6	Very low	57.5	Low	82 Å²	82	59.6 Å²	59.6	57%	0.573	34%	0.342	S	S	*	.			trans	-61.3	85.1	151	70.1	0	0	0	0	106.2	N14 T18	N14-S16 VanDerWaalsContact C-N 3.34Å; N14-S16 PolarHBondContact O-N 3.48Å; S16-T18 PolarHBondContact O-N 3.45Å
17	L	55	Low	60.3	Low	21 Å²	21	57.1 Å²	57.1	11%	0.11	32%	0.321	C	S	.	.			trans	-72.3	32.3	174.8	-66.2	171.3	0	0	0	109.8	L15 N19 I24 S26 V57	L15-L17 HydrophobicContact CB-CD1 4.39Å; L15-L17 HydrophobicContact CB-CD2 3.79Å; L15-L17 HydrophobicContact CB-CG 3.71Å; L15-L17 HydrophobicContact CD1-CD2 4.22Å; L15-L17 HydrophobicContact CD2-CD2 3.91Å; L15-L17 HydrophobicContact CG-CD2 4.2Å; L15-L17 PolarHBondContact O-N 2.88Å; L17-N19 PolarHBondContact O-N 3.16Å; L17-N19 VanDerWaalsContact O-N 3.16Å; L17-I24 HydrophobicContact CD2-CD1 4.16Å; L17-S26 WeakPolarHBondContact O-CB 3.47Å; L17-S26 PolarHBondContact O-OG 3.4Å; L17-V57 HydrophobicContact CB-CG2 3.97Å; L17-V57 HydrophobicContact CD1-CG1 4.5Å; L17-V57 HydrophobicContact CD1-CG2 3.41Å; L17-V57 VanDerWaalsContact CD1-CG2 3.41Å; L17-V57 HydrophobicContact CG-CG2 4.29Å
18	T	53.6	Low	62.9	Low	83 Å²	83	56.7 Å²	56.7	51%	0.509	31%	0.314	S	S	.	.			trans	-64.4	-21.2	-172.9	48.7	0	0	0	0	112.1	S16	S16-T18 PolarHBondContact O-N 3.45Å
19	N	57.5	Low	65	Low	118 Å²	118	57.3 Å²	57.3	63%	0.631	33%	0.328	S	S	*	.	S	Bend	trans	-102.7	126.1	179.6	-65.5	-21	0	0	0	111.3	L17 T21	L17-N19 PolarHBondContact O-N 3.16Å; L17-N19 VanDerWaalsContact O-N 3.16Å; N19-T21 PolarHBondContact O-N 2.73Å; N19-T21 VanDerWaalsContact O-N 3.16Å
20	D	63	Low	67.5	Low	86 Å²	86	59 Å²	59	46%	0.46	34%	0.34	S	S	.	.			trans	-59.5	118.9	163.3	-61.4	-43.2	0	0	0	108.8	S26 K46	D20-S26 PolarHBondContact OD1-N 2.61Å; D20-K46 VanDerWaalsContact OD1-CE 3.27Å; D20-K46 WeakPolarHBondContact OD1-CE 2.97Å; D20-K46 IonicContact OD1-NZ 2.73Å; D20-K46 PolarHBondContact OD1-NZ 3.28Å; D20-K46 WeakPolarHBondContact OD2-CE 3.39Å; D20-K46 IonicContact OD2-NZ 2.61Å; D20-K46 PolarHBondContact OD2-NZ 2.99Å
21	T	75.3	Confident	69.8	Low	84 Å²	84	67.3 Å²	67.3	52%	0.515	38%	0.375	S	S	.	.			trans	-118.3	175.8	170	50.7	0	0	0	0	108.2	N19 G23 I24	N19-T21 PolarHBondContact O-N 2.73Å; N19-T21 VanDerWaalsContact O-N 3.16Å; T21-G23 PolarHBondContact O-N 3.04Å; T21-I24 PolarHBondContact O-N 3.41Å; T21-I24 VanDerWaalsContact OG1-CD1 3.29Å; T21-I24 WeakPolarHBondContact OG1-CD1 3.28Å; T21-I24 WeakPolarHBondContact OG1-CG1 3.5Å
22	D	79.5	Confident	72.4	Confident	126 Å²	126	64.4 Å²	64.4	67%	0.674	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	113.7	-176.6	179.8	52.2	0	0	0	112.1	K52	D22-K52 IonicContact OD2-NZ 2.87Å; D22-K52 PolarHBondContact OD2-NZ 3.31Å
23	G	88.2	Confident	75.1	Confident	6 Å²	6	68.5 Å²	68.5	6%	0.062	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-0.3	-178.9	0	0	0	0	0	116.3	T21 C53 E54 T55	T21-G23 PolarHBondContact O-N 3.04Å; G23-C53 CarbonylContact O-C 3.55Å; G23-E54 PolarHBondContact O-N 2.65Å; G23-T55 PolarHBondContact O-N 3.09Å
24	I	91.6	Very high	77.7	Confident	33 Å²	33	64.1 Å²	64.1	17%	0.169	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.9	175.7	-51.5	-168.3	0	0	0	109.4	L17 T21 T55 V57	L17-I24 HydrophobicContact CD2-CD1 4.16Å; T21-I24 PolarHBondContact O-N 3.41Å; T21-I24 VanDerWaalsContact OG1-CD1 3.29Å; T21-I24 WeakPolarHBondContact OG1-CD1 3.28Å; T21-I24 WeakPolarHBondContact OG1-CG1 3.5Å; I24-T55 HydrophobicContact CG2-CG2 4.12Å; I24-V57 HydrophobicContact CG2-CG2 4.45Å
25	I	93.4	Very high	80.4	Confident	3 Å²	3	64.3 Å²	64.3	2%	0.015	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	113.6	170.8	-62.9	-179.6	0	0	0	107.4	Y27 K46 I47 C53 T55 I56 V57	I25-Y27 HydrophobicContact CG2-CD2 4.31Å; I25-Y27 HydrophobicContact CG2-CE2 3.94Å; I25-K46 HydrophobicContact CD1-CG 4.48Å; I25-K46 HydrophobicContact CG2-CD 3.93Å; I25-K46 HydrophobicContact CG2-CG 4.22Å; I25-I47 HydrophobicContact CD1-CB 4.25Å; I25-I47 HydrophobicContact CD1-CG1 3.74Å; I25-I47 HydrophobicContact CG2-CG1 4.27Å; I25-C53 HydrophobicContact CD1-CB 4.14Å; I25-T55 PolarHBondContact N-O 3.34Å; I25-I56 HydrophobicContact CB-CD1 3.9Å; I25-I56 HydrophobicContact CG2-CD1 3.71Å; I25-I56 WeakPolarHBondContact O-CA 3.3Å; I25-V57 PolarHBondContact O-N 3.33Å
26	S	93.1	Very high	82.9	Confident	10 Å²	10	66.4 Å²	66.4	7%	0.07	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.6	-176.5	-172.6	0	0	0	0	113.2	L17 D20 D28 K46	L17-S26 WeakPolarHBondContact O-CB 3.47Å; L17-S26 PolarHBondContact O-OG 3.4Å; D20-S26 PolarHBondContact OD1-N 2.61Å; S26-D28 PolarHBondContact OG-N 2.95Å; S26-K46 PolarHBondContact O-NZ 3.16Å
27	Y	94	Very high	85.2	Confident	26 Å²	26	65.7 Å²	65.7	10%	0.102	34%	0.344	C	S	.	.			trans	-134.2	28.7	169.3	-73.6	-85.6	0	0	0	110.4	I25 C30 D42 M43 K46 V57 L58 N61	I25-Y27 HydrophobicContact CG2-CD2 4.31Å; I25-Y27 HydrophobicContact CG2-CE2 3.94Å; Y27-C30 VanDerWaalsContact C-SG 3.57Å; Y27-C30 WeakPolarHBondContact O-CB 3.35Å; Y27-C30 PolarHBondContact O-N 3.49Å; Y27-C30 PolarHBondContact O-SG 2.89Å; Y27-D42 WeakPolarHBondContact CE1-OD2 3.3Å; Y27-D42 PolarHBondContact OH-O 3.21Å; Y27-D42 PolarHBondContact OH-OD2 3.4Å; Y27-M43 HydrophobicContact CD1-CE 3.78Å; Y27-M43 HydrophobicContact CD1-CG 4.21Å; Y27-M43 HydrophobicContact CD2-CE 4.3Å; Y27-M43 HydrophobicContact CD2-CG 3.95Å; Y27-M43 HydrophobicContact CD2-SD 4.33Å; Y27-M43 HydrophobicContact CE1-CE 4.28Å; Y27-M43 HydrophobicContact CE1-CG 3.86Å; Y27-M43 HydrophobicContact CE2-CB 3.92Å; Y27-M43 HydrophobicContact CE2-CG 3.6Å; Y27-M43 HydrophobicContact CG-CE 3.77Å; Y27-M43 HydrophobicContact CG-CG 4.23Å; Y27-M43 HydrophobicContact CG-SD 4.39Å; Y27-M43 WeakPolarHBondContact OH-CA 3.39Å; Y27-M43 PolarHBondContact OH-N 2.9Å; Y27-K46 HydrophobicContact CE2-CD 3.97Å; Y27-K46 WeakPolarHBondContact OH-CD 3.36Å; Y27-V57 PolarHBondContact N-O 3.35Å; Y27-L58 HydrophobicContact CD2-CD2 4.42Å; Y27-N61 PolarHBondContact O-ND2 3.03Å
28	D	91.8	Very high	87.2	Confident	26 Å²	26	68.1 Å²	68.1	14%	0.139	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	135.3	-179.2	-169.7	19.3	0	0	0	111.9	S26 C30 V57 R59	S26-D28 PolarHBondContact OG-N 2.95Å; D28-C30 PolarHBondContact O-N 2.82Å; D28-V57 HydrophobicContact CB-CG1 3.86Å; D28-R59 CarbonylContact C-O 3.56Å; D28-R59 WeakPolarHBondContact CA-O 3.42Å; D28-R59 WeakPolarHBondContact OD1-CB 3.36Å; D28-R59 IonicContact OD1-CZ 3.92Å; D28-R59 IonicContact OD1-NE 2.64Å; D28-R59 PolarHBondContact OD1-NE 3.46Å; D28-R59 IonicContact OD1-NH2 2.78Å; D28-R59 IonicContact OD2-CZ 3.71Å; D28-R59 IonicContact OD2-NE 2.74Å; D28-R59 IonicContact OD2-NH2 2.71Å; D28-R59 PolarHBondContact OD2-NH2 3.38Å
29	G	87.3	Confident	89.3	Confident	44 Å²	44	65.9 Å²	65.9	45%	0.454	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	14.9	173.9	0	0	0	0	0	115.5	K31 R59	G29-K31 PolarHBondContact O-N 2.98Å; G29-R59 PolarHBondContact N-O 2.91Å
30	C	91.9	Very high	91.2	Very high	63 Å²	63	60.2 Å²	60.2	43%	0.426	32%	0.318	S	S	.	.			trans	-72.2	-14.4	-176.7	-70.4	0	0	0	0	113.8	Y27 D28 R32 N61	Y27-C30 VanDerWaalsContact C-SG 3.57Å; Y27-C30 WeakPolarHBondContact O-CB 3.35Å; Y27-C30 PolarHBondContact O-N 3.49Å; Y27-C30 PolarHBondContact O-SG 2.89Å; D28-C30 PolarHBondContact O-N 2.82Å; C30-R32 HydrophobicContact CB-CG 3.92Å; C30-R32 PolarHBondContact O-N 2.74Å; C30-N61 WeakPolarHBondContact CB-OD1 3.45Å
31	K	92.7	Very high	92.9	Very high	184 Å²	184	59.9 Å²	59.9	80%	0.8	31%	0.313	S	S	*	.			trans	56.6	32.8	176	-61.3	175.1	-175.6	177.7	0	113.5	G29 G60 N61	G29-K31 PolarHBondContact O-N 2.98Å; K31-G60 WeakPolarHBondContact CA-O 3.35Å; K31-G60 PolarHBondContact N-O 3.17Å; K31-N61 PolarHBondContact N-OD1 3.41Å
32	R	96.2	Very high	93.9	Very high	69 Å²	69	58.9 Å²	58.9	26%	0.26	31%	0.305	S	S	.	.			trans	-84.7	138.1	-177.8	-59.7	171	69.9	170.8	2.5	111	C30 L34 D39 D42 N61 S62	C30-R32 HydrophobicContact CB-CG 3.92Å; C30-R32 PolarHBondContact O-N 2.74Å; R32-L34 HydrophobicContact CB-CD1 4.27Å; R32-L34 HydrophobicContact CB-CD2 3.69Å; R32-L34 HydrophobicContact CB-CG 3.86Å; R32-D39 PolarHBondContact NH2-O 3.18Å; R32-D42 IonicContact CZ-OD1 3.23Å; R32-D42 IonicContact CZ-OD2 3.61Å; R32-D42 IonicContact NH1-OD1 3.8Å; R32-D42 PolarHBondContact NH1-OD1 3.46Å; R32-D42 IonicContact NH1-OD2 2.77Å; R32-D42 PolarHBondContact NH1-OD2 3.16Å; R32-D42 IonicContact NH2-OD1 2.85Å; R32-D42 PolarHBondContact NH2-OD1 2.89Å; R32-D42 IonicContact NH2-OD2 2.77Å; R32-N61 WeakPolarHBondContact CB-OD1 3.14Å; R32-N61 PolarHBondContact N-OD1 2.94Å; R32-N61 CarbonylContact O-C 3.58Å; R32-N61 WeakPolarHBondContact O-CA 3.35Å; R32-S62 PolarHBondContact O-N 3.24Å
33	F	96.7	Very high	94.8	Very high	100 Å²	100	52.9 Å²	52.9	44%	0.439	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	107.2	169.3	-161.1	-104.5	0	0	0	108.6	E35 S62 K92	F33-E35 HydrophobicContact CD1-CG 3.78Å; F33-E35 HydrophobicContact CE1-CG 3.77Å; F33-E35 WeakPolarHBondContact CE1-OE1 3.42Å; F33-S62 WeakPolarHBondContact CE2-OG 3.47Å; F33-K92 HydrophobicContact CE2-CB 4.27Å
34	L	98.1	Very high	95.2	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	102.4	-163.1	-57.4	166.1	0	0	0	109.4	R32 D39 V40 M43 N61 S62 F63 G64 A67 R93	R32-L34 HydrophobicContact CB-CD1 4.27Å; R32-L34 HydrophobicContact CB-CD2 3.69Å; R32-L34 HydrophobicContact CB-CG 3.86Å; L34-D39 HydrophobicContact CB-CB 4.33Å; L34-D39 HydrophobicContact CD2-CB 3.79Å; L34-D39 WeakPolarHBondContact CD2-O 3.04Å; L34-V40 HydrophobicContact CB-CG1 4.06Å; L34-V40 HydrophobicContact CD1-CG1 4.07Å; L34-V40 HydrophobicContact CD2-CG1 4.13Å; L34-V40 HydrophobicContact CG-CG1 4.32Å; L34-M43 HydrophobicContact CD1-CE 3.7Å; L34-M43 HydrophobicContact CD1-SD 4.33Å; L34-M43 HydrophobicContact CD2-CE 4.43Å; L34-N61 HydrophobicContact CD1-CB 4.22Å; L34-S62 PolarHBondContact N-O 3.23Å; L34-F63 HydrophobicContact CB-CD1 4.28Å; L34-F63 HydrophobicContact CD1-CD1 3.72Å; L34-F63 HydrophobicContact CD1-CD2 4.01Å; L34-F63 HydrophobicContact CD1-CE1 3.3Å; L34-F63 HydrophobicContact CD1-CE2 3.65Å; L34-F63 HydrophobicContact CD1-CG 4.06Å; L34-F63 HydrophobicContact CD1-CZ 3.27Å; L34-G64 PolarHBondContact O-N 3.45Å; L34-A67 HydrophobicContact CB-CB 3.96Å; L34-A67 VanDerWaalsContact O-CB 3.26Å; L34-A67 WeakPolarHBondContact O-CB 3.29Å; L34-R93 PolarHBondContact O-NH2 3.08Å; L34-R93 VanDerWaalsContact O-NH2 3.1Å
35	E	96.4	Very high	95.5	Very high	106 Å²	106	53.8 Å²	53.8	50%	0.495	28%	0.277	S	S	.	.			trans	-106.3	-39.9	-173.3	-61.8	-155.8	125.6	0	0	113.2	F33 D39 V66 R93	F33-E35 HydrophobicContact CD1-CG 3.78Å; F33-E35 HydrophobicContact CE1-CG 3.77Å; F33-E35 WeakPolarHBondContact CE1-OE1 3.42Å; E35-D39 PolarHBondContact N-OD2 3.35Å; E35-V66 WeakPolarHBondContact O-CB 3.45Å; E35-R93 IonicContact OE1-NH1 3.53Å; E35-R93 PolarHBondContact OE1-NH1 2.94Å
36	K	96.7	Very high	95.6	Very high	123 Å²	123	56 Å²	56	54%	0.535	29%	0.286	S	S	.	.	S	Bend	trans	-120.3	165.5	-171.4	50.8	174.6	176.9	176.1	0	111.6	S38 D39	K36-S38 WeakPolarHBondContact CD-OG 3.36Å; K36-S38 WeakPolarHBondContact CE-OG 3.24Å; K36-S38 WeakPolarHBondContact CG-OG 3.48Å; K36-S38 PolarHBondContact O-N 2.71Å; K36-D39 WeakPolarHBondContact CE-OD1 2.89Å; K36-D39 HydrophobicContact CG-CB 4.47Å; K36-D39 VanDerWaalsContact CG-CG 3.4Å; K36-D39 WeakPolarHBondContact CG-OD1 3.44Å; K36-D39 WeakPolarHBondContact CG-OD2 3.32Å; K36-D39 PolarHBondContact N-OD2 2.81Å; K36-D39 WeakPolarHBondContact O-CB 3.46Å; K36-D39 PolarHBondContact O-N 3.38Å
37	D	97.1	Very high	95.7	Very high	67 Å²	67	55.6 Å²	55.6	36%	0.358	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-53.6	-40	-179.1	-66.8	-15.7	0	0	0	112.9	D39 V40 Q41 V66 Q70	D37-D39 PolarHBondContact O-N 3.21Å; D37-V40 WeakPolarHBondContact O-CG2 3.33Å; D37-V40 PolarHBondContact O-N 3.32Å; D37-Q41 PolarHBondContact O-N 2.97Å; D37-V66 VanDerWaalsContact OD1-CG1 3.23Å; D37-V66 WeakPolarHBondContact OD1-CG1 3.29Å; D37-Q70 HydrophobicContact CB-CG 4.22Å; D37-Q70 WeakPolarHBondContact OD1-CB 3.4Å
38	S	97.4	Very high	95.7	Very high	71 Å²	71	60.5 Å²	60.5	50%	0.497	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-63.4	-26.3	179.3	62.9	0	0	0	0	113.2	K36 V40	K36-S38 WeakPolarHBondContact CD-OG 3.36Å; K36-S38 WeakPolarHBondContact CE-OG 3.24Å; K36-S38 WeakPolarHBondContact CG-OG 3.48Å; K36-S38 PolarHBondContact O-N 2.71Å; S38-V40 VanDerWaalsContact C-N 3.27Å; S38-V40 PolarHBondContact O-N 3.24Å
39	D	97.9	Very high	95.8	Very high	36 Å²	36	66.6 Å²	66.6	19%	0.193	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-74.3	-22.6	-176.7	-57.4	-21.8	0	0	0	111.7	R32 L34 E35 K36 D37	R32-D39 PolarHBondContact NH2-O 3.18Å; L34-D39 HydrophobicContact CB-CB 4.33Å; L34-D39 HydrophobicContact CD2-CB 3.79Å; L34-D39 WeakPolarHBondContact CD2-O 3.04Å; E35-D39 PolarHBondContact N-OD2 3.35Å; K36-D39 WeakPolarHBondContact CE-OD1 2.89Å; K36-D39 HydrophobicContact CG-CB 4.47Å; K36-D39 VanDerWaalsContact CG-CG 3.4Å; K36-D39 WeakPolarHBondContact CG-OD1 3.44Å; K36-D39 WeakPolarHBondContact CG-OD2 3.32Å; K36-D39 PolarHBondContact N-OD2 2.81Å; K36-D39 WeakPolarHBondContact O-CB 3.46Å; K36-D39 PolarHBondContact O-N 3.38Å; D37-D39 PolarHBondContact O-N 3.21Å
40	V	97.9	Very high	95.9	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-109	6.5	178.9	-63.8	0	0	0	0	112.8	L34 D37 S38 D42 M43 V44 F63 A67 Q70	L34-V40 HydrophobicContact CB-CG1 4.06Å; L34-V40 HydrophobicContact CD1-CG1 4.07Å; L34-V40 HydrophobicContact CD2-CG1 4.13Å; L34-V40 HydrophobicContact CG-CG1 4.32Å; D37-V40 WeakPolarHBondContact O-CG2 3.33Å; D37-V40 PolarHBondContact O-N 3.32Å; S38-V40 VanDerWaalsContact C-N 3.27Å; S38-V40 PolarHBondContact O-N 3.24Å; V40-D42 VanDerWaalsContact C-N 3.29Å; V40-D42 PolarHBondContact O-N 2.8Å; V40-M43 HydrophobicContact CB-SD 4.42Å; V40-M43 HydrophobicContact CG1-SD 4.22Å; V40-M43 WeakPolarHBondContact O-CB 3.37Å; V40-M43 PolarHBondContact O-N 2.94Å; V40-V44 HydrophobicContact CG2-CG2 4.16Å; V40-V44 VanDerWaalsContact O-CG2 3.3Å; V40-V44 WeakPolarHBondContact O-CG2 3.37Å; V40-V44 PolarHBondContact O-N 2.89Å; V40-F63 HydrophobicContact CG1-CD1 4.22Å; V40-F63 HydrophobicContact CG1-CE1 3.85Å; V40-A67 HydrophobicContact CG1-CB 3.78Å; V40-Q70 HydrophobicContact CG2-CB 4.02Å; V40-Q70 HydrophobicContact CG2-CG 3.95Å
41	Q	98.1	Very high	95.7	Very high	78 Å²	78	70.3 Å²	70.3	36%	0.364	35%	0.346	S	S	.	.	H	α-helix	trans	-62.2	-36.6	-171.7	-171.3	58.7	52.4	0	0	112.7	D37 V44 D45	D37-Q41 PolarHBondContact O-N 2.97Å; Q41-V44 PolarHBondContact O-N 2.99Å; Q41-D45 PolarHBondContact NE2-OD1 3.43Å; Q41-D45 WeakPolarHBondContact O-CB 3.23Å; Q41-D45 PolarHBondContact O-N 3.11Å
42	D	96.9	Very high	95.6	Very high	63 Å²	63	64.5 Å²	64.5	34%	0.337	32%	0.32	S	S	.	.	H	α-helix	trans	-64.5	-40.7	174.6	66.3	-64	0	0	0	111.8	Y27 R32 V40 D45 K46	Y27-D42 WeakPolarHBondContact CE1-OD2 3.3Å; Y27-D42 PolarHBondContact OH-O 3.21Å; Y27-D42 PolarHBondContact OH-OD2 3.4Å; R32-D42 IonicContact CZ-OD1 3.23Å; R32-D42 IonicContact CZ-OD2 3.61Å; R32-D42 IonicContact NH1-OD1 3.8Å; R32-D42 PolarHBondContact NH1-OD1 3.46Å; R32-D42 IonicContact NH1-OD2 2.77Å; R32-D42 PolarHBondContact NH1-OD2 3.16Å; R32-D42 IonicContact NH2-OD1 2.85Å; R32-D42 PolarHBondContact NH2-OD1 2.89Å; R32-D42 IonicContact NH2-OD2 2.77Å; V40-D42 VanDerWaalsContact C-N 3.29Å; V40-D42 PolarHBondContact O-N 2.8Å; D42-D45 PolarHBondContact O-N 3.24Å; D42-K46 VanDerWaalsContact O-CB 3.25Å; D42-K46 WeakPolarHBondContact O-CB 3.19Å; D42-K46 PolarHBondContact O-N 3.07Å
43	M	97	Very high	95.5	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-63.2	-45.8	175.6	-52.8	-175.2	174.5	0	0	110.8	Y27 L34 V40 K46 I47 L58 F63 L71	Y27-M43 HydrophobicContact CD1-CE 3.78Å; Y27-M43 HydrophobicContact CD1-CG 4.21Å; Y27-M43 HydrophobicContact CD2-CE 4.3Å; Y27-M43 HydrophobicContact CD2-CG 3.95Å; Y27-M43 HydrophobicContact CD2-SD 4.33Å; Y27-M43 HydrophobicContact CE1-CE 4.28Å; Y27-M43 HydrophobicContact CE1-CG 3.86Å; Y27-M43 HydrophobicContact CE2-CB 3.92Å; Y27-M43 HydrophobicContact CE2-CG 3.6Å; Y27-M43 HydrophobicContact CG-CE 3.77Å; Y27-M43 HydrophobicContact CG-CG 4.23Å; Y27-M43 HydrophobicContact CG-SD 4.39Å; Y27-M43 WeakPolarHBondContact OH-CA 3.39Å; Y27-M43 PolarHBondContact OH-N 2.9Å; L34-M43 HydrophobicContact CD1-CE 3.7Å; L34-M43 HydrophobicContact CD1-SD 4.33Å; L34-M43 HydrophobicContact CD2-CE 4.43Å; V40-M43 HydrophobicContact CB-SD 4.42Å; V40-M43 HydrophobicContact CG1-SD 4.22Å; V40-M43 WeakPolarHBondContact O-CB 3.37Å; V40-M43 PolarHBondContact O-N 2.94Å; M43-K46 PolarHBondContact O-N 2.99Å; M43-I47 WeakPolarHBondContact O-CB 3.11Å; M43-I47 VanDerWaalsContact O-CG1 3.24Å; M43-I47 WeakPolarHBondContact O-CG1 3.2Å; M43-I47 PolarHBondContact O-N 2.84Å; M43-L58 HydrophobicContact SD-CD2 4.42Å; M43-F63 HydrophobicContact CE-CZ 4.14Å; M43-F63 HydrophobicContact SD-CE1 4Å; M43-F63 HydrophobicContact SD-CZ 3.86Å; M43-L71 HydrophobicContact CB-CD1 3.82Å
44	V	97.8	Very high	95.4	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.024	30%	0.297	C	S	.	.	H	α-helix	trans	-59	-50.6	178.1	167	0	0	0	0	110.8	V40 Q41 K46 I47 Q48 Q70 V74	V40-V44 HydrophobicContact CG2-CG2 4.16Å; V40-V44 VanDerWaalsContact O-CG2 3.3Å; V40-V44 WeakPolarHBondContact O-CG2 3.37Å; V40-V44 PolarHBondContact O-N 2.89Å; Q41-V44 PolarHBondContact O-N 2.99Å; V44-K46 VanDerWaalsContact C-N 3.34Å; V44-K46 PolarHBondContact O-N 3.08Å; V44-I47 PolarHBondContact O-N 2.66Å; V44-Q48 VanDerWaalsContact O-CB 3.29Å; V44-Q48 WeakPolarHBondContact O-CB 3.45Å; V44-Q48 PolarHBondContact O-N 3.31Å; V44-Q70 HydrophobicContact CG2-CG 4Å; V44-V74 HydrophobicContact CG1-CG1 3.78Å; V44-V74 HydrophobicContact CG2-CG2 4.28Å
45	D	97.1	Very high	95.2	Very high	54 Å²	54	59.2 Å²	59.2	29%	0.289	30%	0.3	S	S	.	.	H	α-helix	trans	-58.5	-46.2	177.7	-90.7	30.8	0	0	0	111.6	Q41 D42 Q48 K49	Q41-D45 PolarHBondContact NE2-OD1 3.43Å; Q41-D45 WeakPolarHBondContact O-CB 3.23Å; Q41-D45 PolarHBondContact O-N 3.11Å; D42-D45 PolarHBondContact O-N 3.24Å; D45-Q48 PolarHBondContact O-N 2.65Å; D45-K49 VanDerWaalsContact O-CB 3.27Å; D45-K49 WeakPolarHBondContact O-CB 3.12Å; D45-K49 WeakPolarHBondContact O-CD 3.36Å; D45-K49 WeakPolarHBondContact O-CG 3.36Å; D45-K49 PolarHBondContact O-N 3.33Å; D45-K49 IonicContact OD2-NZ 2.86Å; D45-K49 PolarHBondContact OD2-NZ 2.94Å
46	K	94.6	Very high	95.2	Very high	50 Å²	50	54.1 Å²	54.1	22%	0.217	28%	0.277	C	S	.	.	H	α-helix	trans	-63.9	-47.3	-179.3	-172.8	175.9	175.9	-172.4	0	111.1	D20 I25 S26 Y27 D42 M43 V44 Q48 K49 S50	D20-K46 VanDerWaalsContact OD1-CE 3.27Å; D20-K46 WeakPolarHBondContact OD1-CE 2.97Å; D20-K46 IonicContact OD1-NZ 2.73Å; D20-K46 PolarHBondContact OD1-NZ 3.28Å; D20-K46 WeakPolarHBondContact OD2-CE 3.39Å; D20-K46 IonicContact OD2-NZ 2.61Å; D20-K46 PolarHBondContact OD2-NZ 2.99Å; I25-K46 HydrophobicContact CD1-CG 4.48Å; I25-K46 HydrophobicContact CG2-CD 3.93Å; I25-K46 HydrophobicContact CG2-CG 4.22Å; S26-K46 PolarHBondContact O-NZ 3.16Å; Y27-K46 HydrophobicContact CE2-CD 3.97Å; Y27-K46 WeakPolarHBondContact OH-CD 3.36Å; D42-K46 VanDerWaalsContact O-CB 3.25Å; D42-K46 WeakPolarHBondContact O-CB 3.19Å; D42-K46 PolarHBondContact O-N 3.07Å; M43-K46 PolarHBondContact O-N 2.99Å; V44-K46 VanDerWaalsContact C-N 3.34Å; V44-K46 PolarHBondContact O-N 3.08Å; K46-Q48 PolarHBondContact O-N 3.04Å; K46-K49 PolarHBondContact O-N 3.25Å; K46-S50 VanDerWaalsContact O-CB 3.3Å; K46-S50 WeakPolarHBondContact O-CB 3.4Å; K46-S50 PolarHBondContact O-N 3.19Å; K46-S50 PolarHBondContact O-OG 3.35Å
47	I	95.5	Very high	95.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.4	-47.6	175.9	-68.1	165.4	0	0	0	110	I25 M43 V44 K49 S50 I56 L71 V74 L75 K78	I25-I47 HydrophobicContact CD1-CB 4.25Å; I25-I47 HydrophobicContact CD1-CG1 3.74Å; I25-I47 HydrophobicContact CG2-CG1 4.27Å; M43-I47 WeakPolarHBondContact O-CB 3.11Å; M43-I47 VanDerWaalsContact O-CG1 3.24Å; M43-I47 WeakPolarHBondContact O-CG1 3.2Å; M43-I47 PolarHBondContact O-N 2.84Å; V44-I47 PolarHBondContact O-N 2.66Å; I47-K49 PolarHBondContact O-N 3.23Å; I47-S50 PolarHBondContact O-N 3.48Å; I47-I56 HydrophobicContact CD1-CD1 4.01Å; I47-I56 HydrophobicContact CG1-CD1 4.33Å; I47-L71 HydrophobicContact CD1-CD1 3.46Å; I47-L71 VanDerWaalsContact CD1-CD1 3.46Å; I47-L71 HydrophobicContact CD1-CG 4.38Å; I47-V74 HydrophobicContact CB-CB 4.45Å; I47-V74 HydrophobicContact CB-CG2 4.05Å; I47-V74 HydrophobicContact CD1-CG2 3.99Å; I47-V74 HydrophobicContact CG2-CB 3.91Å; I47-V74 HydrophobicContact CG2-CG2 3.82Å; I47-L75 HydrophobicContact CD1-CD2 3.99Å; I47-L75 HydrophobicContact CD1-CG 4.43Å; I47-K78 HydrophobicContact CG2-CD 4.3Å; I47-K78 HydrophobicContact CG2-CG 3.97Å; I47-K78 WeakPolarHBondContact O-CE 3.33Å; I47-K78 PolarHBondContact O-NZ 2.99Å
48	Q	94.6	Very high	95.1	Very high	129 Å²	129	45.1 Å²	45.1	60%	0.603	24%	0.235	S	C	*	.	H	α-helix	trans	-66.7	-38.4	-176.9	-174.5	169.7	-9	0	0	113.2	V44 D45 K46	V44-Q48 VanDerWaalsContact O-CB 3.29Å; V44-Q48 WeakPolarHBondContact O-CB 3.45Å; V44-Q48 PolarHBondContact O-N 3.31Å; D45-Q48 PolarHBondContact O-N 2.65Å; K46-Q48 PolarHBondContact O-N 3.04Å
49	K	93.4	Very high	94.9	Very high	154 Å²	154	44.4 Å²	44.4	67%	0.67	22%	0.221	S	C	*	.	H	α-helix	trans	-76.7	-25.2	179	-69.9	166.6	-173.4	159.9	0	112.8	D45 K46 I47 V51	D45-K49 VanDerWaalsContact O-CB 3.27Å; D45-K49 WeakPolarHBondContact O-CB 3.12Å; D45-K49 WeakPolarHBondContact O-CD 3.36Å; D45-K49 WeakPolarHBondContact O-CG 3.36Å; D45-K49 PolarHBondContact O-N 3.33Å; D45-K49 IonicContact OD2-NZ 2.86Å; D45-K49 PolarHBondContact OD2-NZ 2.94Å; K46-K49 PolarHBondContact O-N 3.25Å; I47-K49 PolarHBondContact O-N 3.23Å; K49-V51 PolarHBondContact O-N 3.38Å
50	S	91	Very high	94.6	Very high	36 Å²	36	43.4 Å²	43.4	25%	0.252	22%	0.219	S	C	.	.			trans	-70.5	124.6	-179.2	-62.6	0	0	0	0	110.8	K46 I47 K52 K78	K46-S50 VanDerWaalsContact O-CB 3.3Å; K46-S50 WeakPolarHBondContact O-CB 3.4Å; K46-S50 PolarHBondContact O-N 3.19Å; K46-S50 PolarHBondContact O-OG 3.35Å; I47-S50 PolarHBondContact O-N 3.48Å; S50-K52 WeakPolarHBondContact CB-O 3.26Å; S50-K52 PolarHBondContact O-N 3.17Å; S50-K78 PolarHBondContact O-NZ 3.48Å
51	V	87.2	Confident	94.5	Very high	150 Å²	150	43.5 Å²	43.5	91%	0.909	22%	0.22	S	C	*	.	S	Bend	trans	-61.8	-36.4	173.7	177.9	0	0	0	0	110.5	K49	K49-V51 PolarHBondContact O-N 3.38Å
52	K	90.7	Very high	94.5	Very high	61 Å²	61	40 Å²	40	27%	0.265	20%	0.204	S	C	.	.			trans	-126.3	133.4	-175.6	-170.3	179.6	171.1	-167.4	0	110.4	D22 S50 E54 D80	D22-K52 IonicContact OD2-NZ 2.87Å; D22-K52 PolarHBondContact OD2-NZ 3.31Å; S50-K52 WeakPolarHBondContact CB-O 3.26Å; S50-K52 PolarHBondContact O-N 3.17Å; K52-E54 HydrophobicContact CD-CG 4.32Å; K52-E54 VanDerWaalsContact CE-CG 3.44Å; K52-E54 WeakPolarHBondContact CE-OE1 3.19Å; K52-E54 WeakPolarHBondContact CE-OE2 3.38Å; K52-E54 HydrophobicContact CG-CG 3.9Å; K52-E54 IonicContact NZ-OE1 3.75Å; K52-E54 IonicContact NZ-OE2 3.24Å; K52-E54 PolarHBondContact NZ-OE2 3.3Å; K52-D80 VanDerWaalsContact CA-OD2 3.23Å; K52-D80 WeakPolarHBondContact CA-OD2 3.35Å
53	C	93.3	Very high	94.6	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.			trans	-143.4	69.9	178.1	-178.2	0	0	0	0	108.7	G23 I25 K78 D80 L81	G23-C53 CarbonylContact O-C 3.55Å; I25-C53 HydrophobicContact CD1-CB 4.14Å; C53-K78 HydrophobicContact CB-CB 4.45Å; C53-K78 HydrophobicContact CB-CD 3.71Å; C53-K78 HydrophobicContact CB-CG 3.96Å; C53-D80 PolarHBondContact N-OD2 3.46Å; C53-L81 WeakPolarHBondContact O-CA 3.43Å
54	E	94.7	Very high	94.6	Very high	48 Å²	48	37 Å²	37	22%	0.224	19%	0.188	C	C	.	.	S	Bend	trans	-79.7	-29.3	179.3	-69.7	-173.8	152.7	0	0	112.7	G23 K52 D80 K82 K83	G23-E54 PolarHBondContact O-N 2.65Å; K52-E54 HydrophobicContact CD-CG 4.32Å; K52-E54 VanDerWaalsContact CE-CG 3.44Å; K52-E54 WeakPolarHBondContact CE-OE1 3.19Å; K52-E54 WeakPolarHBondContact CE-OE2 3.38Å; K52-E54 HydrophobicContact CG-CG 3.9Å; K52-E54 IonicContact NZ-OE1 3.75Å; K52-E54 IonicContact NZ-OE2 3.24Å; K52-E54 PolarHBondContact NZ-OE2 3.3Å; E54-D80 WeakPolarHBondContact CA-O 3.41Å; E54-K82 HydrophobicContact CB-CD 4.32Å; E54-K82 HydrophobicContact CG-CD 4.21Å; E54-K82 CarbonylContact O-C 3.3Å; E54-K82 WeakPolarHBondContact O-CA 3.42Å; E54-K82 PolarHBondContact O-N 3.21Å; E54-K82 WeakPolarHBondContact OE1-CE 3.38Å; E54-K82 IonicContact OE1-NZ 3.77Å; E54-K82 PolarHBondContact OE1-NZ 3.32Å; E54-K82 IonicContact OE2-NZ 2.82Å; E54-K83 PolarHBondContact O-N 3.29Å
55	T	94.6	Very high	94.6	Very high	12 Å²	12	37.8 Å²	37.8	7%	0.074	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	128.4	179.4	-58.5	0	0	0	0	110.1	G23 I24 I25 V57 K83	G23-T55 PolarHBondContact O-N 3.09Å; I24-T55 HydrophobicContact CG2-CG2 4.12Å; I25-T55 PolarHBondContact N-O 3.34Å; T55-V57 HydrophobicContact CG2-CG2 3.84Å; T55-K83 WeakPolarHBondContact CA-O 3.45Å; T55-K83 HydrophobicContact CG2-CB 3.87Å
56	I	95.5	Very high	94.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130	169.2	-169.8	70.2	0	0	0	109	I25 I47 L58 L75 L81 K83 A84 I85	I25-I56 HydrophobicContact CB-CD1 3.9Å; I25-I56 HydrophobicContact CG2-CD1 3.71Å; I25-I56 WeakPolarHBondContact O-CA 3.3Å; I47-I56 HydrophobicContact CD1-CD1 4.01Å; I47-I56 HydrophobicContact CG1-CD1 4.33Å; I56-L58 HydrophobicContact CD1-CD2 4.04Å; I56-L58 HydrophobicContact CG1-CD1 4.34Å; I56-L58 HydrophobicContact CG1-CD2 3.91Å; I56-L58 HydrophobicContact CG1-CG 3.94Å; I56-L75 HydrophobicContact CG1-CD2 4.4Å; I56-L81 HydrophobicContact CB-CD1 4.3Å; I56-L81 HydrophobicContact CG2-CD1 3.98Å; I56-K83 PolarHBondContact N-O 3.4Å; I56-A84 HydrophobicContact CG2-CB 4.14Å; I56-I85 PolarHBondContact O-N 3.05Å
57	V	95.2	Very high	94.9	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	114.2	178.5	-169.8	0	0	0	0	109.1	L17 I24 I25 Y27 D28 T55 R59 I85	L17-V57 HydrophobicContact CB-CG2 3.97Å; L17-V57 HydrophobicContact CD1-CG1 4.5Å; L17-V57 HydrophobicContact CD1-CG2 3.41Å; L17-V57 VanDerWaalsContact CD1-CG2 3.41Å; L17-V57 HydrophobicContact CG-CG2 4.29Å; I24-V57 HydrophobicContact CG2-CG2 4.45Å; I25-V57 PolarHBondContact O-N 3.33Å; Y27-V57 PolarHBondContact N-O 3.35Å; D28-V57 HydrophobicContact CB-CG1 3.86Å; T55-V57 HydrophobicContact CG2-CG2 3.84Å; V57-R59 HydrophobicContact CG1-CB 4.5Å; V57-I85 HydrophobicContact CB-CB 4.37Å; V57-I85 HydrophobicContact CG1-CB 4.08Å; V57-I85 HydrophobicContact CG1-CG2 4.12Å; V57-I85 HydrophobicContact CG2-CB 4.29Å; V57-I85 HydrophobicContact CG2-CG1 4.25Å
58	L	96.3	Very high	95	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.187	C	C	.	.			trans	-118.4	7.7	-176	-58.2	-177.6	0	0	0	113.2	Y27 M43 I56 N61 F63 L71 I85 L86 I89	Y27-L58 HydrophobicContact CD2-CD2 4.42Å; M43-L58 HydrophobicContact SD-CD2 4.42Å; I56-L58 HydrophobicContact CD1-CD2 4.04Å; I56-L58 HydrophobicContact CG1-CD1 4.34Å; I56-L58 HydrophobicContact CG1-CD2 3.91Å; I56-L58 HydrophobicContact CG1-CG 3.94Å; L58-N61 PolarHBondContact O-ND2 2.76Å; L58-F63 HydrophobicContact CB-CE2 4.03Å; L58-F63 HydrophobicContact CB-CZ 4.3Å; L58-F63 HydrophobicContact CD1-CE2 4.1Å; L58-F63 HydrophobicContact CD1-CZ 3.85Å; L58-F63 HydrophobicContact CD2-CZ 4.18Å; L58-F63 HydrophobicContact CG-CZ 4.34Å; L58-L71 HydrophobicContact CD1-CD2 3.46Å; L58-L71 VanDerWaalsContact CD1-CD2 3.46Å; L58-L71 HydrophobicContact CD2-CD2 4.35Å; L58-I85 PolarHBondContact N-O 3.32Å; L58-L86 HydrophobicContact CB-CD2 4.3Å; L58-L86 HydrophobicContact CD1-CD2 3.63Å; L58-L86 HydrophobicContact CG-CD2 4.06Å; L58-I89 HydrophobicContact CB-CG2 3.95Å; L58-I89 WeakPolarHBondContact O-CG2 3.35Å
59	R	93.7	Very high	95.2	Very high	56 Å²	56	34.8 Å²	34.8	21%	0.211	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	140.1	-172.4	176.1	176	67.2	-174	-0.5	113.4	D28 G29 V57 N61 S87	D28-R59 CarbonylContact C-O 3.56Å; D28-R59 WeakPolarHBondContact CA-O 3.42Å; D28-R59 WeakPolarHBondContact OD1-CB 3.36Å; D28-R59 IonicContact OD1-CZ 3.92Å; D28-R59 IonicContact OD1-NE 2.64Å; D28-R59 PolarHBondContact OD1-NE 3.46Å; D28-R59 IonicContact OD1-NH2 2.78Å; D28-R59 IonicContact OD2-CZ 3.71Å; D28-R59 IonicContact OD2-NE 2.74Å; D28-R59 IonicContact OD2-NH2 2.71Å; D28-R59 PolarHBondContact OD2-NH2 3.38Å; G29-R59 PolarHBondContact N-O 2.91Å; V57-R59 HydrophobicContact CG1-CB 4.5Å; R59-N61 PolarHBondContact O-ND2 2.9Å; R59-S87 WeakPolarHBondContact CA-O 3.43Å; R59-S87 WeakPolarHBondContact CB-OG 3.41Å; R59-S87 VanDerWaalsContact CD-OG 3.27Å; R59-S87 WeakPolarHBondContact CD-OG 3.31Å; R59-S87 VanDerWaalsContact CG-OG 3.31Å; R59-S87 WeakPolarHBondContact CG-OG 3.27Å
60	G	91.3	Very high	95.4	Very high	14 Å²	14	29 Å²	29	14%	0.144	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	29.4	177.3	0	0	0	0	0	113.9	K31 D88	K31-G60 WeakPolarHBondContact CA-O 3.35Å; K31-G60 PolarHBondContact N-O 3.17Å; G60-D88 WeakPolarHBondContact CA-O 3.47Å; G60-D88 PolarHBondContact N-O 3.22Å
61	N	96.5	Very high	95.8	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.016	14%	0.141	C	C	.	.			trans	-122.1	179.1	172.4	-63.6	-74.3	0	0	0	109.9	Y27 C30 K31 R32 L34 L58 R59 F63 D88 I89	Y27-N61 PolarHBondContact O-ND2 3.03Å; C30-N61 WeakPolarHBondContact CB-OD1 3.45Å; K31-N61 PolarHBondContact N-OD1 3.41Å; R32-N61 WeakPolarHBondContact CB-OD1 3.14Å; R32-N61 PolarHBondContact N-OD1 2.94Å; R32-N61 CarbonylContact O-C 3.58Å; R32-N61 WeakPolarHBondContact O-CA 3.35Å; L34-N61 HydrophobicContact CD1-CB 4.22Å; L58-N61 PolarHBondContact O-ND2 2.76Å; R59-N61 PolarHBondContact O-ND2 2.9Å; N61-F63 HydrophobicContact CB-CD2 4.4Å; N61-F63 HydrophobicContact CB-CE2 3.82Å; N61-D88 PolarHBondContact N-O 2.89Å; N61-D88 VanDerWaalsContact O-O 3.08Å; N61-I89 CarbonylContact O-C 3.59Å; N61-I89 WeakPolarHBondContact O-CA 3.47Å
62	S	97.8	Very high	96.3	Very high	5 Å²	5	20.3 Å²	20.3	4%	0.035	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	105.6	178.2	179.4	0	0	0	0	112.4	R32 F33 L34 I89 T91 R93	R32-S62 PolarHBondContact O-N 3.24Å; F33-S62 WeakPolarHBondContact CE2-OG 3.47Å; L34-S62 PolarHBondContact N-O 3.23Å; S62-I89 CarbonylContact C-O 3.55Å; S62-I89 VanDerWaalsContact CA-O 3.25Å; S62-I89 WeakPolarHBondContact CA-O 3.44Å; S62-T91 WeakPolarHBondContact CB-O 3.2Å; S62-T91 PolarHBondContact OG-O 2.87Å; S62-R93 PolarHBondContact O-NH2 2.99Å; S62-R93 WeakPolarHBondContact OG-CG 3.44Å; S62-R93 PolarHBondContact OG-NE 3.15Å; S62-R93 VanDerWaalsContact OG-NE 3.1Å
63	F	98.4	Very high	96.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	122.2	-175.7	-68.4	-101	0	0	0	111.9	L34 V40 M43 L58 N61 A67 A68 L71 I89 F90	L34-F63 HydrophobicContact CB-CD1 4.28Å; L34-F63 HydrophobicContact CD1-CD1 3.72Å; L34-F63 HydrophobicContact CD1-CD2 4.01Å; L34-F63 HydrophobicContact CD1-CE1 3.3Å; L34-F63 HydrophobicContact CD1-CE2 3.65Å; L34-F63 HydrophobicContact CD1-CG 4.06Å; L34-F63 HydrophobicContact CD1-CZ 3.27Å; V40-F63 HydrophobicContact CG1-CD1 4.22Å; V40-F63 HydrophobicContact CG1-CE1 3.85Å; M43-F63 HydrophobicContact CE-CZ 4.14Å; M43-F63 HydrophobicContact SD-CE1 4Å; M43-F63 HydrophobicContact SD-CZ 3.86Å; L58-F63 HydrophobicContact CB-CE2 4.03Å; L58-F63 HydrophobicContact CB-CZ 4.3Å; L58-F63 HydrophobicContact CD1-CE2 4.1Å; L58-F63 HydrophobicContact CD1-CZ 3.85Å; L58-F63 HydrophobicContact CD2-CZ 4.18Å; L58-F63 HydrophobicContact CG-CZ 4.34Å; N61-F63 HydrophobicContact CB-CD2 4.4Å; N61-F63 HydrophobicContact CB-CE2 3.82Å; F63-A67 HydrophobicContact CD1-CB 4.28Å; F63-A68 HydrophobicContact CB-CB 4.3Å; F63-L71 HydrophobicContact CE1-CD2 3.73Å; F63-L71 HydrophobicContact CZ-CD2 4.12Å; F63-I89 HydrophobicContact CD2-CB 4.01Å; F63-I89 HydrophobicContact CE2-CB 4.4Å; F63-I89 PolarHBondContact N-O 2.59Å; F63-F90 HydrophobicContact CB-CE1 4.16Å; F63-F90 WeakPolarHBondContact O-CD1 3.13Å
64	G	97.9	Very high	96.8	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.01	12%	0.116	C	C	.	.			trans	-78.1	167.7	163.8	0	0	0	0	0	111.6	L34 V66 A67 A68	L34-G64 PolarHBondContact O-N 3.45Å; G64-V66 VanDerWaalsContact C-N 3.31Å; G64-V66 PolarHBondContact O-N 3.32Å; G64-A67 PolarHBondContact O-N 2.83Å; G64-A68 WeakPolarHBondContact O-CB 3.43Å; G64-A68 PolarHBondContact O-N 3.49Å
65	P	98.3	Very high	96.9	Very high	20 Å²	20	22.6 Å²	22.6	13%	0.13	11%	0.106	C	C	.	.	H	α-helix	trans	-57.3	-38.2	-176.7	-28	35.7	0	0	0	114.6	R69 Q97 L100 A101 H104	P65-R69 VanDerWaalsContact O-CB 3.29Å; P65-R69 WeakPolarHBondContact O-CB 3.23Å; P65-R69 PolarHBondContact O-N 2.82Å; P65-Q97 HydrophobicContact CG-CB 3.97Å; P65-Q97 HydrophobicContact CG-CG 4.02Å; P65-L100 HydrophobicContact CB-CB 4.48Å; P65-L100 HydrophobicContact CB-CD2 3.81Å; P65-L100 HydrophobicContact CB-CG 4.01Å; P65-L100 HydrophobicContact CG-CB 4.37Å; P65-L100 HydrophobicContact CG-CD2 4.1Å; P65-L100 HydrophobicContact CG-CG 4.38Å; P65-A101 HydrophobicContact CG-CB 4.37Å; P65-H104 PolarHBondContact O-CD2 3.39Å; P65-H104 VanDerWaalsContact O-CD2 3.23Å
66	V	98.4	Very high	97	Very high	64 Å²	64	24 Å²	24	39%	0.388	12%	0.116	S	C	.	.	H	α-helix	trans	-70.1	-50.8	-178.7	173.5	0	0	0	0	110.5	E35 D37 G64 A68 R69 Q70	E35-V66 WeakPolarHBondContact O-CB 3.45Å; D37-V66 VanDerWaalsContact OD1-CG1 3.23Å; D37-V66 WeakPolarHBondContact OD1-CG1 3.29Å; G64-V66 VanDerWaalsContact C-N 3.31Å; G64-V66 PolarHBondContact O-N 3.32Å; V66-A68 PolarHBondContact O-N 2.97Å; V66-R69 WeakPolarHBondContact O-CB 3.12Å; V66-R69 PolarHBondContact O-N 2.92Å; V66-Q70 PolarHBondContact O-N 2.98Å
67	A	98.4	Very high	97	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-56.6	-45.9	174.4	0	0	0	0	0	112.6	L34 V40 F63 G64 R69 Q70 L71	L34-A67 HydrophobicContact CB-CB 3.96Å; L34-A67 VanDerWaalsContact O-CB 3.26Å; L34-A67 WeakPolarHBondContact O-CB 3.29Å; V40-A67 HydrophobicContact CG1-CB 3.78Å; F63-A67 HydrophobicContact CD1-CB 4.28Å; G64-A67 PolarHBondContact O-N 2.83Å; A67-R69 PolarHBondContact O-N 3.29Å; A67-Q70 PolarHBondContact O-N 3.21Å; A67-L71 PolarHBondContact O-N 2.92Å
68	A	98.6	Very high	97	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.6	-41.2	177.4	0	0	0	0	0	112.5	F63 G64 V66 L71 G72 A101 H104 L105	F63-A68 HydrophobicContact CB-CB 4.3Å; G64-A68 WeakPolarHBondContact O-CB 3.43Å; G64-A68 PolarHBondContact O-N 3.49Å; V66-A68 PolarHBondContact O-N 2.97Å; A68-L71 PolarHBondContact O-N 3.31Å; A68-G72 PolarHBondContact O-N 2.91Å; A68-A101 HydrophobicContact CB-CB 3.83Å; A68-A101 WeakPolarHBondContact CB-O 3.15Å; A68-H104 HydrophobicContact CB-CB 4.31Å; A68-L105 HydrophobicContact CB-CD2 4.32Å; A68-L105 HydrophobicContact CB-CG 4.16Å
69	R	98.6	Very high	97	Very high	106 Å²	106	38.5 Å²	38.5	40%	0.4	18%	0.179	S	C	.	.	H	α-helix	trans	-62	-44.7	175.3	-171.5	-175.2	-53.3	174.1	5.6	112.1	P65 V66 A67 G72 R73 H104	P65-R69 VanDerWaalsContact O-CB 3.29Å; P65-R69 WeakPolarHBondContact O-CB 3.23Å; P65-R69 PolarHBondContact O-N 2.82Å; V66-R69 WeakPolarHBondContact O-CB 3.12Å; V66-R69 PolarHBondContact O-N 2.92Å; A67-R69 PolarHBondContact O-N 3.29Å; R69-G72 PolarHBondContact O-N 2.74Å; R69-R73 WeakPolarHBondContact O-CG 3.44Å; R69-R73 PolarHBondContact O-N 3.4Å; R69-R73 VanDerWaalsContact O-N 3.07Å; R69-H104 HydrophobicContact CB-CB 4.36Å; R69-H104 PolarHBondContact NE-CE1 3Å; R69-H104 VanDerWaalsContact NE-CE1 3.31Å; R69-H104 PolarHBondContact NE-NE2 3.46Å; R69-H104 PolarHBondContact NH2-NE2 2.97Å
70	Q	98.3	Very high	97.1	Very high	32 Å²	32	38 Å²	38	15%	0.15	18%	0.181	C	C	.	.	H	α-helix	trans	-66.9	-41.4	-178.5	-177.8	63.1	-2.9	0	0	111.5	D37 V40 V44 V66 A67 R73	D37-Q70 HydrophobicContact CB-CG 4.22Å; D37-Q70 WeakPolarHBondContact OD1-CB 3.4Å; V40-Q70 HydrophobicContact CG2-CB 4.02Å; V40-Q70 HydrophobicContact CG2-CG 3.95Å; V44-Q70 HydrophobicContact CG2-CG 4Å; V66-Q70 PolarHBondContact O-N 2.98Å; A67-Q70 PolarHBondContact O-N 3.21Å; Q70-R73 PolarHBondContact O-N 2.84Å
71	L	98.1	Very high	97.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.6	-43.1	172.3	-167.3	69.5	0	0	0	111.7	M43 I47 L58 F63 A67 A68 R73 V74 L75 L105	M43-L71 HydrophobicContact CB-CD1 3.82Å; I47-L71 HydrophobicContact CD1-CD1 3.46Å; I47-L71 VanDerWaalsContact CD1-CD1 3.46Å; I47-L71 HydrophobicContact CD1-CG 4.38Å; L58-L71 HydrophobicContact CD1-CD2 3.46Å; L58-L71 VanDerWaalsContact CD1-CD2 3.46Å; L58-L71 HydrophobicContact CD2-CD2 4.35Å; F63-L71 HydrophobicContact CE1-CD2 3.73Å; F63-L71 HydrophobicContact CZ-CD2 4.12Å; A67-L71 PolarHBondContact O-N 2.92Å; A68-L71 PolarHBondContact O-N 3.31Å; L71-R73 VanDerWaalsContact C-N 3.26Å; L71-R73 PolarHBondContact O-N 3.41Å; L71-V74 HydrophobicContact CD1-CG2 4.36Å; L71-V74 WeakPolarHBondContact O-CG2 3.46Å; L71-V74 PolarHBondContact O-N 3.35Å; L71-V74 VanDerWaalsContact O-N 3.11Å; L71-L75 HydrophobicContact CD2-CD1 4.26Å; L71-L75 HydrophobicContact CG-CD1 4.03Å; L71-L75 HydrophobicContact CG-CG 4.4Å; L71-L75 PolarHBondContact O-N 2.84Å; L71-L75 VanDerWaalsContact O-N 3.08Å; L71-L105 HydrophobicContact CD2-CD2 4.35Å
72	G	97.9	Very high	97.3	Very high	4 Å²	4	41.6 Å²	41.6	4%	0.041	19%	0.192	C	C	.	.	H	α-helix	trans	-55.5	-38.3	177	0	0	0	0	0	113.1	A68 R69 V74 L75 S76 A108	A68-G72 PolarHBondContact O-N 2.91Å; R69-G72 PolarHBondContact O-N 2.74Å; G72-V74 VanDerWaalsContact C-N 3.26Å; G72-V74 PolarHBondContact O-N 2.76Å; G72-L75 PolarHBondContact O-N 2.84Å; G72-S76 PolarHBondContact O-N 2.81Å; G72-A108 WeakPolarHBondContact O-CB 3.27Å
73	R	97.7	Very high	97.2	Very high	144 Å²	144	45 Å²	45	54%	0.543	21%	0.206	S	C	.	.	H	α-helix	trans	-60.6	-30.1	178	-75.6	170.7	170.1	170.1	-4.4	114.7	R69 Q70 L71 S76	R69-R73 WeakPolarHBondContact O-CG 3.44Å; R69-R73 PolarHBondContact O-N 3.4Å; R69-R73 VanDerWaalsContact O-N 3.07Å; Q70-R73 PolarHBondContact O-N 2.84Å; L71-R73 VanDerWaalsContact C-N 3.26Å; L71-R73 PolarHBondContact O-N 3.41Å; R73-S76 PolarHBondContact O-OG 3.48Å
74	V	97	Very high	97.2	Very high	11 Å²	11	45 Å²	45	7%	0.067	21%	0.206	C	C	.	.	H	α-helix	trans	-89.3	-33.8	175.4	-69.4	0	0	0	0	111.9	V44 I47 L71 G72 S76 K77	V44-V74 HydrophobicContact CG1-CG1 3.78Å; V44-V74 HydrophobicContact CG2-CG2 4.28Å; I47-V74 HydrophobicContact CB-CB 4.45Å; I47-V74 HydrophobicContact CB-CG2 4.05Å; I47-V74 HydrophobicContact CD1-CG2 3.99Å; I47-V74 HydrophobicContact CG2-CB 3.91Å; I47-V74 HydrophobicContact CG2-CG2 3.82Å; L71-V74 HydrophobicContact CD1-CG2 4.36Å; L71-V74 WeakPolarHBondContact O-CG2 3.46Å; L71-V74 PolarHBondContact O-N 3.35Å; L71-V74 VanDerWaalsContact O-N 3.11Å; G72-V74 VanDerWaalsContact C-N 3.26Å; G72-V74 PolarHBondContact O-N 2.76Å; V74-S76 VanDerWaalsContact C-N 3.31Å; V74-S76 PolarHBondContact O-N 3.28Å; V74-K77 PolarHBondContact O-N 2.84Å
75	L	96.9	Very high	97.1	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-64.5	-34.4	174.8	-69.9	175.6	0	0	0	112.2	I47 I56 L71 G72 K77 K78 L105 S112	I47-L75 HydrophobicContact CD1-CD2 3.99Å; I47-L75 HydrophobicContact CD1-CG 4.43Å; I56-L75 HydrophobicContact CG1-CD2 4.4Å; L71-L75 HydrophobicContact CD2-CD1 4.26Å; L71-L75 HydrophobicContact CG-CD1 4.03Å; L71-L75 HydrophobicContact CG-CG 4.4Å; L71-L75 PolarHBondContact O-N 2.84Å; L71-L75 VanDerWaalsContact O-N 3.08Å; G72-L75 PolarHBondContact O-N 2.84Å; L75-K77 PolarHBondContact O-N 2.81Å; L75-K78 WeakPolarHBondContact O-CB 3.26Å; L75-K78 PolarHBondContact O-N 3.1Å; L75-L105 HydrophobicContact CD1-CD2 4.35Å; L75-S112 WeakPolarHBondContact O-CB 3.33Å
76	S	96.8	Very high	97	Very high	41 Å²	41	44.2 Å²	44.2	29%	0.287	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-5.4	175.9	69.7	0	0	0	0	114.6	G72 R73 V74 A108 S112	G72-S76 PolarHBondContact O-N 2.81Å; R73-S76 PolarHBondContact O-OG 3.48Å; V74-S76 VanDerWaalsContact C-N 3.31Å; V74-S76 PolarHBondContact O-N 3.28Å; S76-A108 VanDerWaalsContact CA-O 3.32Å; S76-A108 WeakPolarHBondContact CA-O 3.36Å; S76-A108 WeakPolarHBondContact CB-O 3.42Å; S76-S112 WeakPolarHBondContact O-CA 3.48Å
77	K	96	Very high	96.8	Very high	155 Å²	155	41.4 Å²	41.4	67%	0.674	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103	-3.2	174.8	-58.2	178.8	-175.4	175.7	0	112.7	V74 L75 K79	V74-K77 PolarHBondContact O-N 2.84Å; L75-K77 PolarHBondContact O-N 2.81Å; K77-K79 PolarHBondContact O-N 3.07Å
78	K	95.3	Very high	96.7	Very high	17 Å²	17	44 Å²	44	7%	0.074	20%	0.198	C	C	.	.			trans	-96.1	79.8	-175.1	-63.6	-54.8	-163.7	165.9	0	111.6	I47 S50 C53 L75 D80 L81	I47-K78 HydrophobicContact CG2-CD 4.3Å; I47-K78 HydrophobicContact CG2-CG 3.97Å; I47-K78 WeakPolarHBondContact O-CE 3.33Å; I47-K78 PolarHBondContact O-NZ 2.99Å; S50-K78 PolarHBondContact O-NZ 3.48Å; C53-K78 HydrophobicContact CB-CB 4.45Å; C53-K78 HydrophobicContact CB-CD 3.71Å; C53-K78 HydrophobicContact CB-CG 3.96Å; L75-K78 WeakPolarHBondContact O-CB 3.26Å; L75-K78 PolarHBondContact O-N 3.1Å; K78-D80 PolarHBondContact O-N 3.3Å; K78-L81 HydrophobicContact CB-CB 4.35Å; K78-L81 WeakPolarHBondContact O-CB 3.35Å; K78-L81 PolarHBondContact O-N 2.99Å
79	K	95.2	Very high	96.6	Very high	134 Å²	134	44 Å²	44	58%	0.583	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-23.2	176.4	-68.4	-170.1	168.3	-122.7	0	113.7	K77 L81 S112 D113 C114	K77-K79 PolarHBondContact O-N 3.07Å; K79-L81 VanDerWaalsContact C-N 3.33Å; K79-S112 VanDerWaalsContact CG-O 3.28Å; K79-S112 WeakPolarHBondContact CG-O 3.34Å; K79-D113 IonicContact NZ-OD2 2.74Å; K79-D113 PolarHBondContact NZ-OD2 3.44Å; K79-C114 WeakPolarHBondContact O-CA 3.11Å
80	D	95.6	Very high	96.6	Very high	47 Å²	47	39.3 Å²	39.3	25%	0.251	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-1.5	-178.8	63.2	-38.7	0	0	0	113.5	K52 C53 E54 K78 K82	K52-D80 VanDerWaalsContact CA-OD2 3.23Å; K52-D80 WeakPolarHBondContact CA-OD2 3.35Å; C53-D80 PolarHBondContact N-OD2 3.46Å; E54-D80 WeakPolarHBondContact CA-O 3.41Å; K78-D80 PolarHBondContact O-N 3.3Å; D80-K82 PolarHBondContact O-N 3.02Å
81	L	96.4	Very high	96.2	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	19%	0.192	C	C	.	.			trans	-61.4	125	178.6	-171.4	67.5	0	0	0	111.5	C53 I56 K78 K79 I109 C114 L116	C53-L81 WeakPolarHBondContact O-CA 3.43Å; I56-L81 HydrophobicContact CB-CD1 4.3Å; I56-L81 HydrophobicContact CG2-CD1 3.98Å; K78-L81 HydrophobicContact CB-CB 4.35Å; K78-L81 WeakPolarHBondContact O-CB 3.35Å; K78-L81 PolarHBondContact O-N 2.99Å; K79-L81 VanDerWaalsContact C-N 3.33Å; L81-I109 HydrophobicContact CD2-CG1 4.18Å; L81-I109 HydrophobicContact CD2-CG2 4.41Å; L81-C114 HydrophobicContact CB-CB 4.08Å; L81-C114 WeakPolarHBondContact O-CB 3.31Å; L81-L116 HydrophobicContact CD2-CD1 4.14Å; L81-L116 HydrophobicContact CG-CD1 3.93Å
82	K	95.8	Very high	95.9	Very high	91 Å²	91	50.1 Å²	50.1	40%	0.396	23%	0.233	S	C	.	.			trans	-119.1	-31.4	-178.9	-69.9	170.7	-177.6	169.6	0	112.4	E54 D80 R117 V118	E54-K82 HydrophobicContact CB-CD 4.32Å; E54-K82 HydrophobicContact CG-CD 4.21Å; E54-K82 CarbonylContact O-C 3.3Å; E54-K82 WeakPolarHBondContact O-CA 3.42Å; E54-K82 PolarHBondContact O-N 3.21Å; E54-K82 WeakPolarHBondContact OE1-CE 3.38Å; E54-K82 IonicContact OE1-NZ 3.77Å; E54-K82 PolarHBondContact OE1-NZ 3.32Å; E54-K82 IonicContact OE2-NZ 2.82Å; D80-K82 PolarHBondContact O-N 3.02Å; K82-R117 HydrophobicContact CB-CG 4.27Å; K82-R117 HydrophobicContact CG-CG 4.47Å; K82-R117 WeakPolarHBondContact O-CA 3.46Å; K82-R117 PolarHBondContact O-N 3.1Å; K82-V118 PolarHBondContact O-N 2.95Å
83	K	96	Very high	95.6	Very high	76 Å²	76	51 Å²	51	33%	0.33	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	126.4	-177.4	-54.2	-170.1	180	-175.3	0	110.6	E54 T55 I56 V118	E54-K83 PolarHBondContact O-N 3.29Å; T55-K83 WeakPolarHBondContact CA-O 3.45Å; T55-K83 HydrophobicContact CG2-CB 3.87Å; I56-K83 PolarHBondContact N-O 3.4Å; K83-V118 WeakPolarHBondContact CA-O 3.2Å; K83-V118 HydrophobicContact CB-CB 4.06Å; K83-V118 HydrophobicContact CD-CB 4.32Å; K83-V118 HydrophobicContact CD-CG2 4.04Å; K83-V118 HydrophobicContact CG-CB 3.87Å; K83-V118 HydrophobicContact CG-CG2 3.9Å
84	A	97	Very high	95.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	101.3	174	0	0	0	0	0	108.9	I56 L86 I109 L116 V118 L119 D120	I56-A84 HydrophobicContact CG2-CB 4.14Å; A84-L86 HydrophobicContact CB-CD1 4.1Å; A84-L86 HydrophobicContact CB-CG 4.06Å; A84-L86 PolarHBondContact O-N 3.05Å; A84-I109 HydrophobicContact CB-CD1 4.05Å; A84-L116 HydrophobicContact CB-CD1 4.12Å; A84-L116 HydrophobicContact CB-CD2 4.16Å; A84-V118 PolarHBondContact N-O 3.27Å; A84-L119 HydrophobicContact CB-CD1 4.23Å; A84-D120 PolarHBondContact O-N 3.1Å
85	I	96	Very high	94.9	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	95	176.6	-47.2	-55.1	0	0	0	107.6	L12 I56 V57 L58 V118 D120	L12-I85 HydrophobicContact CD2-CD1 3.99Å; I56-I85 PolarHBondContact O-N 3.05Å; V57-I85 HydrophobicContact CB-CB 4.37Å; V57-I85 HydrophobicContact CG1-CB 4.08Å; V57-I85 HydrophobicContact CG1-CG2 4.12Å; V57-I85 HydrophobicContact CG2-CB 4.29Å; V57-I85 HydrophobicContact CG2-CG1 4.25Å; L58-I85 PolarHBondContact N-O 3.32Å; I85-V118 HydrophobicContact CD1-CG1 3.93Å; I85-D120 HydrophobicContact CD1-CB 4.06Å; I85-D120 HydrophobicContact CG2-CB 4.39Å
86	L	97.5	Very high	94.6	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	29%	0.285	C	S	.	.			trans	-118.6	25.9	-171	-56	-179.5	0	0	0	110.6	L58 A84 I89 M106 I109 L119 D120 L121 N124	L58-L86 HydrophobicContact CB-CD2 4.3Å; L58-L86 HydrophobicContact CD1-CD2 3.63Å; L58-L86 HydrophobicContact CG-CD2 4.06Å; A84-L86 HydrophobicContact CB-CD1 4.1Å; A84-L86 HydrophobicContact CB-CG 4.06Å; A84-L86 PolarHBondContact O-N 3.05Å; L86-I89 HydrophobicContact CB-CD1 3.93Å; L86-I89 HydrophobicContact CD2-CD1 4.45Å; L86-I89 WeakPolarHBondContact O-CG1 3.44Å; L86-I89 WeakPolarHBondContact O-CG2 3.35Å; L86-M106 HydrophobicContact CD1-CE 3.57Å; L86-I109 HydrophobicContact CD1-CD1 4.05Å; L86-L119 HydrophobicContact CD1-CD1 4.42Å; L86-D120 CarbonylContact C-O 3.26Å; L86-D120 VanDerWaalsContact CA-O 3.23Å; L86-D120 WeakPolarHBondContact CA-O 3.39Å; L86-D120 WeakPolarHBondContact CB-O 3.45Å; L86-D120 PolarHBondContact N-O 3.13Å; L86-L121 HydrophobicContact CB-CD2 3.73Å; L86-L121 HydrophobicContact CD1-CD2 4.11Å; L86-N124 PolarHBondContact O-ND2 3.49Å
87	S	94.6	Very high	94.5	Very high	5 Å²	5	57.8 Å²	57.8	4%	0.035	28%	0.283	C	S	.	.	S	Bend	trans	-72.2	143.7	177.1	58.2	0	0	0	0	112.2	R59 I89 D120 S122	R59-S87 WeakPolarHBondContact CA-O 3.43Å; R59-S87 WeakPolarHBondContact CB-OG 3.41Å; R59-S87 VanDerWaalsContact CD-OG 3.27Å; R59-S87 WeakPolarHBondContact CD-OG 3.31Å; R59-S87 VanDerWaalsContact CG-OG 3.31Å; R59-S87 WeakPolarHBondContact CG-OG 3.27Å; S87-I89 WeakPolarHBondContact O-CG2 3.44Å; S87-I89 PolarHBondContact O-N 3.33Å; S87-D120 PolarHBondContact N-O 3.48Å; S87-S122 CarbonylContact C-O 3.22Å; S87-S122 WeakPolarHBondContact CA-O 3.41Å; S87-S122 WeakPolarHBondContact CB-O 3.4Å
88	D	95.2	Very high	94.5	Very high	55 Å²	55	50.8 Å²	50.8	29%	0.294	25%	0.253	S	S	.	.	S	Bend	trans	47.2	58.1	179.7	-172.7	35.3	0	0	0	112.8	G60 N61 T91 S122 D123	G60-D88 WeakPolarHBondContact CA-O 3.47Å; G60-D88 PolarHBondContact N-O 3.22Å; N61-D88 PolarHBondContact N-O 2.89Å; N61-D88 VanDerWaalsContact O-O 3.08Å; D88-T91 PolarHBondContact OD1-OG1 3.11Å; D88-S122 PolarHBondContact N-O 2.95Å; D88-D123 HydrophobicContact CB-CB 4.07Å
89	I	97.5	Very high	94.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.253	C	S	.	.			trans	-114.1	3.9	179.5	70.8	165.5	0	0	0	114	L58 N61 S62 F63 L86 S87 L105 N124	L58-I89 HydrophobicContact CB-CG2 3.95Å; L58-I89 WeakPolarHBondContact O-CG2 3.35Å; N61-I89 CarbonylContact O-C 3.59Å; N61-I89 WeakPolarHBondContact O-CA 3.47Å; S62-I89 CarbonylContact C-O 3.55Å; S62-I89 VanDerWaalsContact CA-O 3.25Å; S62-I89 WeakPolarHBondContact CA-O 3.44Å; F63-I89 HydrophobicContact CD2-CB 4.01Å; F63-I89 HydrophobicContact CE2-CB 4.4Å; F63-I89 PolarHBondContact N-O 2.59Å; L86-I89 HydrophobicContact CB-CD1 3.93Å; L86-I89 HydrophobicContact CD2-CD1 4.45Å; L86-I89 WeakPolarHBondContact O-CG1 3.44Å; L86-I89 WeakPolarHBondContact O-CG2 3.35Å; S87-I89 WeakPolarHBondContact O-CG2 3.44Å; S87-I89 PolarHBondContact O-N 3.33Å; I89-L105 HydrophobicContact CD1-CD1 3.57Å; I89-N124 WeakPolarHBondContact CG1-OD1 3.39Å; I89-N124 PolarHBondContact N-OD1 3.32Å
90	F	97.2	Very high	94.6	Very high	6 Å²	6	47.9 Å²	47.9	3%	0.026	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-131.9	21.2	-177	-61	-56.2	0	0	0	114	F63 K92 R93 L98 A101 L102 L105 N124	F63-F90 HydrophobicContact CB-CE1 4.16Å; F63-F90 WeakPolarHBondContact O-CD1 3.13Å; F90-K92 PolarHBondContact O-N 2.75Å; F90-R93 HydrophobicContact CB-CB 4.3Å; F90-R93 HydrophobicContact CB-CG 4.34Å; F90-R93 VanDerWaalsContact O-CB 3.28Å; F90-R93 WeakPolarHBondContact O-CB 3.35Å; F90-R93 WeakPolarHBondContact O-CG 3.19Å; F90-R93 PolarHBondContact O-N 2.82Å; F90-L98 HydrophobicContact CB-CD1 3.62Å; F90-L98 HydrophobicContact CB-CG 3.68Å; F90-L98 HydrophobicContact CD1-CG 4.34Å; F90-L98 HydrophobicContact CD2-CD1 4.38Å; F90-L98 HydrophobicContact CD2-CD2 4.02Å; F90-L98 HydrophobicContact CD2-CG 3.81Å; F90-L98 HydrophobicContact CE2-CD2 4.48Å; F90-L98 HydrophobicContact CG-CD1 4.18Å; F90-L98 HydrophobicContact CG-CD2 4.4Å; F90-L98 HydrophobicContact CG-CG 3.69Å; F90-A101 HydrophobicContact CD1-CB 4.25Å; F90-A101 HydrophobicContact CE1-CB 3.47Å; F90-A101 VanDerWaalsContact CE1-CB 3.47Å; F90-A101 HydrophobicContact CZ-CB 4.1Å; F90-L102 HydrophobicContact CE2-CB 3.88Å; F90-L102 HydrophobicContact CE2-CD1 4.13Å; F90-L102 HydrophobicContact CE2-CG 4.49Å; F90-L102 HydrophobicContact CZ-CB 3.93Å; F90-L105 HydrophobicContact CZ-CD1 4.33Å; F90-N124 HydrophobicContact CD2-CB 3.99Å; F90-N124 WeakPolarHBondContact CD2-OD1 3.13Å; F90-N124 PolarHBondContact N-OD1 3.49Å
91	T	91.1	Very high	94.7	Very high	66 Å²	66	45.7 Å²	45.7	41%	0.405	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	135.4	177.2	-21.7	0	0	0	0	110.5	S62 D88 R93	S62-T91 WeakPolarHBondContact CB-O 3.2Å; S62-T91 PolarHBondContact OG-O 2.87Å; D88-T91 PolarHBondContact OD1-OG1 3.11Å; T91-R93 PolarHBondContact O-N 3.29Å
92	K	91.4	Very high	94.8	Very high	194 Å²	194	45.6 Å²	45.6	84%	0.843	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	19.4	-177.5	-52.1	176.9	179.6	175.2	0	115	F33 F90	F33-K92 HydrophobicContact CE2-CB 4.27Å; F90-K92 PolarHBondContact O-N 2.75Å
93	R	92.1	Very high	94.9	Very high	22 Å²	22	42.9 Å²	42.9	8%	0.083	22%	0.223	C	C	.	.			trans	-99.9	133.9	170.8	-58.2	-70	-179.8	-177.5	-3.9	110.1	L34 E35 S62 F90 T91 L98	L34-R93 PolarHBondContact O-NH2 3.08Å; L34-R93 VanDerWaalsContact O-NH2 3.1Å; E35-R93 IonicContact OE1-NH1 3.53Å; E35-R93 PolarHBondContact OE1-NH1 2.94Å; S62-R93 PolarHBondContact O-NH2 2.99Å; S62-R93 WeakPolarHBondContact OG-CG 3.44Å; S62-R93 PolarHBondContact OG-NE 3.15Å; S62-R93 VanDerWaalsContact OG-NE 3.1Å; F90-R93 HydrophobicContact CB-CB 4.3Å; F90-R93 HydrophobicContact CB-CG 4.34Å; F90-R93 VanDerWaalsContact O-CB 3.28Å; F90-R93 WeakPolarHBondContact O-CB 3.35Å; F90-R93 WeakPolarHBondContact O-CG 3.19Å; F90-R93 PolarHBondContact O-N 2.82Å; T91-R93 PolarHBondContact O-N 3.29Å; R93-L98 HydrophobicContact CB-CB 4.28Å
94	G	89.3	Confident	95.1	Very high	32 Å²	32	41.1 Å²	41.1	33%	0.33	22%	0.215	S	C	.	.			trans	-81.5	173	177.2	0	0	0	0	0	113.2	D96 Q97 L98	G94-D96 VanDerWaalsContact C-OD1 3.3Å; G94-D96 WeakPolarHBondContact CA-OD1 3.49Å; G94-D96 PolarHBondContact O-N 2.74Å; G94-D96 VanDerWaalsContact O-N 3.16Å; G94-Q97 PolarHBondContact O-N 3.11Å; G94-L98 VanDerWaalsContact O-CB 3.3Å; G94-L98 WeakPolarHBondContact O-CB 3.25Å; G94-L98 PolarHBondContact O-N 2.88Å
95	L	89.4	Confident	95.1	Very high	133 Å²	133	41.1 Å²	41.1	70%	0.696	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.1	176.3	-70.2	171.8	0	0	0	113.6	P99	L95-P99 WeakPolarHBondContact O-CD 3.4Å
96	D	91.2	Very high	95.2	Very high	119 Å²	119	41 Å²	41	64%	0.636	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-24.7	174.9	62.1	-53.7	0	0	0	113.2	G94	G94-D96 VanDerWaalsContact C-OD1 3.3Å; G94-D96 WeakPolarHBondContact CA-OD1 3.49Å; G94-D96 PolarHBondContact O-N 2.74Å; G94-D96 VanDerWaalsContact O-N 3.16Å
97	Q	95.4	Very high	95.3	Very high	56 Å²	56	44 Å²	44	26%	0.262	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-42.3	-175.1	-76.4	173.7	51.7	0	0	112.7	P65 G94 L100 A101	P65-Q97 HydrophobicContact CG-CB 3.97Å; P65-Q97 HydrophobicContact CG-CG 4.02Å; G94-Q97 PolarHBondContact O-N 3.11Å; Q97-L100 PolarHBondContact O-N 2.7Å; Q97-A101 WeakPolarHBondContact O-CB 3.4Å; Q97-A101 PolarHBondContact O-N 2.99Å
98	L	95.6	Very high	95.4	Very high	7 Å²	7	44.2 Å²	44.2	4%	0.037	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-52.8	-166.8	-174.4	167.5	0	0	0	112.9	F90 R93 G94 L100 A101 L102 N124 F126	F90-L98 HydrophobicContact CB-CD1 3.62Å; F90-L98 HydrophobicContact CB-CG 3.68Å; F90-L98 HydrophobicContact CD1-CG 4.34Å; F90-L98 HydrophobicContact CD2-CD1 4.38Å; F90-L98 HydrophobicContact CD2-CD2 4.02Å; F90-L98 HydrophobicContact CD2-CG 3.81Å; F90-L98 HydrophobicContact CE2-CD2 4.48Å; F90-L98 HydrophobicContact CG-CD1 4.18Å; F90-L98 HydrophobicContact CG-CD2 4.4Å; F90-L98 HydrophobicContact CG-CG 3.69Å; R93-L98 HydrophobicContact CB-CB 4.28Å; G94-L98 VanDerWaalsContact O-CB 3.3Å; G94-L98 WeakPolarHBondContact O-CB 3.25Å; G94-L98 PolarHBondContact O-N 2.88Å; L98-L100 VanDerWaalsContact C-N 3.26Å; L98-L100 PolarHBondContact O-N 2.87Å; L98-A101 PolarHBondContact O-N 2.97Å; L98-L102 WeakPolarHBondContact O-CB 3.33Å; L98-L102 PolarHBondContact O-N 2.9Å; L98-N124 VanDerWaalsContact CD1-O 3.25Å; L98-N124 WeakPolarHBondContact CD1-O 3.13Å; L98-F126 HydrophobicContact CD2-CB 3.4Å; L98-F126 VanDerWaalsContact CD2-CB 3.4Å
99	P	95.1	Very high	95.5	Very high	12 Å²	12	41.6 Å²	41.6	8%	0.078	22%	0.221	C	C	.	.	H	α-helix	trans	-60.4	-37.1	179.5	-23.2	35.4	0	0	0	112.5	L95 L102 N103 V129	L95-P99 WeakPolarHBondContact O-CD 3.4Å; P99-L102 PolarHBondContact O-N 2.67Å; P99-N103 VanDerWaalsContact O-CB 3.31Å; P99-N103 WeakPolarHBondContact O-CB 3.46Å; P99-N103 PolarHBondContact O-N 3.47Å; P99-V129 HydrophobicContact CB-CG1 3.94Å; P99-V129 HydrophobicContact CG-CB 4.38Å; P99-V129 HydrophobicContact CG-CG1 3.82Å
100	L	97.5	Very high	95.5	Very high	79 Å²	79	43 Å²	43	41%	0.414	23%	0.231	S	C	.	.	H	α-helix	trans	-68.5	-42.2	179.1	-177.7	61.6	0	0	0	112.1	P65 Q97 L98 N103 H104	P65-L100 HydrophobicContact CB-CB 4.48Å; P65-L100 HydrophobicContact CB-CD2 3.81Å; P65-L100 HydrophobicContact CB-CG 4.01Å; P65-L100 HydrophobicContact CG-CB 4.37Å; P65-L100 HydrophobicContact CG-CD2 4.1Å; P65-L100 HydrophobicContact CG-CG 4.38Å; Q97-L100 PolarHBondContact O-N 2.7Å; L98-L100 VanDerWaalsContact C-N 3.26Å; L98-L100 PolarHBondContact O-N 2.87Å; L100-N103 PolarHBondContact O-N 3.41Å; L100-H104 PolarHBondContact O-CD2 2.79Å; L100-H104 VanDerWaalsContact O-CD2 3.31Å; L100-H104 PolarHBondContact O-N 2.83Å; L100-H104 VanDerWaalsContact O-N 3.1Å
101	A	98.3	Very high	95.4	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.2	-42.9	176	0	0	0	0	0	111.3	P65 A68 F90 Q97 L98 H104 L105	P65-A101 HydrophobicContact CG-CB 4.37Å; A68-A101 HydrophobicContact CB-CB 3.83Å; A68-A101 WeakPolarHBondContact CB-O 3.15Å; F90-A101 HydrophobicContact CD1-CB 4.25Å; F90-A101 HydrophobicContact CE1-CB 3.47Å; F90-A101 VanDerWaalsContact CE1-CB 3.47Å; F90-A101 HydrophobicContact CZ-CB 4.1Å; Q97-A101 WeakPolarHBondContact O-CB 3.4Å; Q97-A101 PolarHBondContact O-N 2.99Å; L98-A101 PolarHBondContact O-N 2.97Å; A101-H104 PolarHBondContact O-N 2.84Å; A101-L105 PolarHBondContact O-N 3.49Å
102	L	98.5	Very high	95.5	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.6	-46.7	174	179	58.7	0	0	0	111.7	F90 L98 P99 H104 L105 M106 L121 F126 E133 V134	F90-L102 HydrophobicContact CE2-CB 3.88Å; F90-L102 HydrophobicContact CE2-CD1 4.13Å; F90-L102 HydrophobicContact CE2-CG 4.49Å; F90-L102 HydrophobicContact CZ-CB 3.93Å; L98-L102 WeakPolarHBondContact O-CB 3.33Å; L98-L102 PolarHBondContact O-N 2.9Å; P99-L102 PolarHBondContact O-N 2.67Å; L102-H104 VanDerWaalsContact C-N 3.28Å; L102-H104 PolarHBondContact O-N 3.39Å; L102-L105 PolarHBondContact O-N 2.88Å; L102-L105 VanDerWaalsContact O-N 3.11Å; L102-M106 HydrophobicContact CD1-CE 4.11Å; L102-M106 HydrophobicContact CD1-CG 3.8Å; L102-M106 HydrophobicContact CD1-SD 4.37Å; L102-M106 HydrophobicContact CG-CG 4.13Å; L102-M106 WeakPolarHBondContact O-CG 3.36Å; L102-M106 PolarHBondContact O-N 3.11Å; L102-L121 HydrophobicContact CD1-CD2 3.78Å; L102-F126 HydrophobicContact CD2-CB 3.92Å; L102-F126 HydrophobicContact CD2-CD1 4.14Å; L102-F126 HydrophobicContact CD2-CD2 4.37Å; L102-F126 HydrophobicContact CD2-CG 3.91Å; L102-E133 HydrophobicContact CG-CB 4.44Å; L102-V134 HydrophobicContact CD2-CG2 3.89Å
103	N	98.2	Very high	95.5	Very high	34 Å²	34	38.5 Å²	38.5	18%	0.182	22%	0.224	C	C	.	.	H	α-helix	trans	-55.5	-43.3	176.2	173.4	-89.1	0	0	0	111.8	P99 L100 L105 M106 T107 E133	P99-N103 VanDerWaalsContact O-CB 3.31Å; P99-N103 WeakPolarHBondContact O-CB 3.46Å; P99-N103 PolarHBondContact O-N 3.47Å; L100-N103 PolarHBondContact O-N 3.41Å; N103-L105 VanDerWaalsContact C-N 3.32Å; N103-L105 PolarHBondContact O-N 3.24Å; N103-M106 PolarHBondContact O-N 3.18Å; N103-T107 WeakPolarHBondContact O-CB 3.46Å; N103-T107 PolarHBondContact O-N 3.1Å; N103-T107 PolarHBondContact O-OG1 3.32Å; N103-E133 HydrophobicContact CB-CB 4.25Å; N103-E133 HydrophobicContact CB-CG 4Å; N103-E133 PolarHBondContact ND2-OE2 2.9Å
104	H	98.6	Very high	95.6	Very high	38 Å²	38	37.6 Å²	37.6	18%	0.176	22%	0.221	C	C	.	.	H	α-helix	trans	-60.3	-40.2	177.9	-77.7	-37.4	0	0	0	112.9	P65 A68 R69 L100 A101 L102 A108	P65-H104 PolarHBondContact O-CD2 3.39Å; P65-H104 VanDerWaalsContact O-CD2 3.23Å; A68-H104 HydrophobicContact CB-CB 4.31Å; R69-H104 HydrophobicContact CB-CB 4.36Å; R69-H104 PolarHBondContact NE-CE1 3Å; R69-H104 VanDerWaalsContact NE-CE1 3.31Å; R69-H104 PolarHBondContact NE-NE2 3.46Å; R69-H104 PolarHBondContact NH2-NE2 2.97Å; L100-H104 PolarHBondContact O-CD2 2.79Å; L100-H104 VanDerWaalsContact O-CD2 3.31Å; L100-H104 PolarHBondContact O-N 2.83Å; L100-H104 VanDerWaalsContact O-N 3.1Å; A101-H104 PolarHBondContact O-N 2.84Å; L102-H104 VanDerWaalsContact C-N 3.28Å; L102-H104 PolarHBondContact O-N 3.39Å; H104-A108 WeakPolarHBondContact O-CB 3.28Å; H104-A108 PolarHBondContact O-N 3.45Å
105	L	98.5	Very high	95.8	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-72.2	-46.7	177.1	-63.2	176.8	0	0	0	111.5	A68 L71 L75 I89 F90 A101 L102 N103 A108 I109	A68-L105 HydrophobicContact CB-CD2 4.32Å; A68-L105 HydrophobicContact CB-CG 4.16Å; L71-L105 HydrophobicContact CD2-CD2 4.35Å; L75-L105 HydrophobicContact CD1-CD2 4.35Å; I89-L105 HydrophobicContact CD1-CD1 3.57Å; F90-L105 HydrophobicContact CZ-CD1 4.33Å; A101-L105 PolarHBondContact O-N 3.49Å; L102-L105 PolarHBondContact O-N 2.88Å; L102-L105 VanDerWaalsContact O-N 3.11Å; N103-L105 VanDerWaalsContact C-N 3.32Å; N103-L105 PolarHBondContact O-N 3.24Å; L105-A108 WeakPolarHBondContact O-CB 3.4Å; L105-A108 PolarHBondContact O-N 3.3Å; L105-I109 WeakPolarHBondContact O-CG1 3.47Å; L105-I109 PolarHBondContact O-N 3.31Å
106	M	98.3	Very high	96.1	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-63.9	-44	-179	-69.6	-55.3	99.2	0	0	112.2	L86 L102 N103 A108 I109 S110 L119 L121 F137	L86-M106 HydrophobicContact CD1-CE 3.57Å; L102-M106 HydrophobicContact CD1-CE 4.11Å; L102-M106 HydrophobicContact CD1-CG 3.8Å; L102-M106 HydrophobicContact CD1-SD 4.37Å; L102-M106 HydrophobicContact CG-CG 4.13Å; L102-M106 WeakPolarHBondContact O-CG 3.36Å; L102-M106 PolarHBondContact O-N 3.11Å; N103-M106 PolarHBondContact O-N 3.18Å; M106-A108 VanDerWaalsContact C-N 3.33Å; M106-A108 PolarHBondContact O-N 3.3Å; M106-I109 HydrophobicContact CE-CD1 3.97Å; M106-I109 PolarHBondContact O-N 3.03Å; M106-S110 WeakPolarHBondContact O-CB 3.35Å; M106-S110 PolarHBondContact O-N 3.23Å; M106-S110 PolarHBondContact O-OG 3.41Å; M106-L119 HydrophobicContact CE-CD1 4.29Å; M106-L121 HydrophobicContact CE-CD1 4.48Å; M106-L121 HydrophobicContact CE-CD2 4.19Å; M106-L121 HydrophobicContact SD-CD1 4.22Å; M106-F137 HydrophobicContact CB-CB 4.02Å; M106-F137 HydrophobicContact CG-CB 4.39Å; M106-F137 HydrophobicContact SD-CB 4.06Å; M106-F137 HydrophobicContact SD-CD1 4.13Å; M106-F137 HydrophobicContact SD-CG 4.11Å
107	T	97.7	Very high	96.4	Very high	65 Å²	65	35.2 Å²	35.2	40%	0.399	18%	0.184	S	C	.	.	H	α-helix	trans	-63.5	-40.3	175.1	-57.5	0	0	0	0	111.1	N103 S110 A111	N103-T107 WeakPolarHBondContact O-CB 3.46Å; N103-T107 PolarHBondContact O-N 3.1Å; N103-T107 PolarHBondContact O-OG1 3.32Å; T107-S110 PolarHBondContact O-N 3Å; T107-A111 VanDerWaalsContact O-CB 3.3Å; T107-A111 WeakPolarHBondContact O-CB 3.42Å; T107-A111 PolarHBondContact O-N 3.17Å
108	A	97.8	Very high	96.5	Very high	9 Å²	9	32.5 Å²	32.5	7%	0.074	17%	0.171	C	C	.	.	H	α-helix	trans	-63.8	-45.7	177.3	0	0	0	0	0	112.7	G72 S76 H104 L105 M106 A111 S112	G72-A108 WeakPolarHBondContact O-CB 3.27Å; S76-A108 VanDerWaalsContact CA-O 3.32Å; S76-A108 WeakPolarHBondContact CA-O 3.36Å; S76-A108 WeakPolarHBondContact CB-O 3.42Å; H104-A108 WeakPolarHBondContact O-CB 3.28Å; H104-A108 PolarHBondContact O-N 3.45Å; L105-A108 WeakPolarHBondContact O-CB 3.4Å; L105-A108 PolarHBondContact O-N 3.3Å; M106-A108 VanDerWaalsContact C-N 3.33Å; M106-A108 PolarHBondContact O-N 3.3Å; A108-A111 PolarHBondContact O-N 2.99Å; A108-S112 PolarHBondContact O-N 2.94Å
109	I	97.4	Very high	96.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.4	-43.3	176.5	-65.6	170.4	0	0	0	109.9	L81 A84 L86 L105 M106 A111 S112 L116 F137	L81-I109 HydrophobicContact CD2-CG1 4.18Å; L81-I109 HydrophobicContact CD2-CG2 4.41Å; A84-I109 HydrophobicContact CB-CD1 4.05Å; L86-I109 HydrophobicContact CD1-CD1 4.05Å; L105-I109 WeakPolarHBondContact O-CG1 3.47Å; L105-I109 PolarHBondContact O-N 3.31Å; M106-I109 HydrophobicContact CE-CD1 3.97Å; M106-I109 PolarHBondContact O-N 3.03Å; I109-A111 VanDerWaalsContact C-N 3.3Å; I109-A111 PolarHBondContact O-N 3.29Å; I109-S112 WeakPolarHBondContact O-CB 3.22Å; I109-S112 PolarHBondContact O-N 2.73Å; I109-S112 VanDerWaalsContact O-N 3.09Å; I109-S112 PolarHBondContact O-OG 3.3Å; I109-L116 HydrophobicContact CG2-CD2 4.28Å; I109-F137 HydrophobicContact CB-CE2 4.46Å; I109-F137 HydrophobicContact CG2-CD2 4.22Å; I109-F137 HydrophobicContact CG2-CE2 3.63Å; I109-F137 HydrophobicContact CG2-CZ 4.24Å
110	S	96.6	Very high	96.7	Very high	30 Å²	30	32 Å²	32	21%	0.21	17%	0.168	C	C	.	.	H	α-helix	trans	-55.5	-46.7	174.8	-54.2	0	0	0	0	111.4	M106 T107 S112 F137 S142	M106-S110 WeakPolarHBondContact O-CB 3.35Å; M106-S110 PolarHBondContact O-N 3.23Å; M106-S110 PolarHBondContact O-OG 3.41Å; T107-S110 PolarHBondContact O-N 3Å; S110-S112 VanDerWaalsContact C-N 3.25Å; S110-S112 PolarHBondContact O-N 3.24Å; S110-F137 WeakPolarHBondContact OG-CD2 3.31Å; S110-S142 PolarHBondContact O-OG 3.27Å
111	A	95.9	Very high	96.8	Very high	69 Å²	69	28.2 Å²	28.2	57%	0.57	15%	0.148	S	C	*	.	H	α-helix	trans	-73.6	-12.3	-179.4	0	0	0	0	0	114.4	T107 A108 I109 D113	T107-A111 VanDerWaalsContact O-CB 3.3Å; T107-A111 WeakPolarHBondContact O-CB 3.42Å; T107-A111 PolarHBondContact O-N 3.17Å; A108-A111 PolarHBondContact O-N 2.99Å; I109-A111 VanDerWaalsContact C-N 3.3Å; I109-A111 PolarHBondContact O-N 3.29Å; A111-D113 PolarHBondContact O-N 3Å
112	S	93.7	Very high	96.6	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.014	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-13.3	-179.9	75.4	0	0	0	0	113.5	L75 S76 K79 A108 I109 S110 C114	L75-S112 WeakPolarHBondContact O-CB 3.33Å; S76-S112 WeakPolarHBondContact O-CA 3.48Å; K79-S112 VanDerWaalsContact CG-O 3.28Å; K79-S112 WeakPolarHBondContact CG-O 3.34Å; A108-S112 PolarHBondContact O-N 2.94Å; I109-S112 WeakPolarHBondContact O-CB 3.22Å; I109-S112 PolarHBondContact O-N 2.73Å; I109-S112 VanDerWaalsContact O-N 3.09Å; I109-S112 PolarHBondContact O-OG 3.3Å; S110-S112 VanDerWaalsContact C-N 3.25Å; S110-S112 PolarHBondContact O-N 3.24Å; S112-C114 PolarHBondContact O-N 3.24Å; S112-C114 WeakPolarHBondContact OG-CB 3.45Å; S112-C114 PolarHBondContact OG-N 2.86Å; S112-C114 PolarHBondContact OG-SG 3.01Å
113	D	89.6	Confident	96.4	Very high	100 Å²	100	31.9 Å²	31.9	54%	0.535	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	28.6	-174	-173.1	45.3	0	0	0	111.5	K79 A111	K79-D113 IonicContact NZ-OD2 2.74Å; K79-D113 PolarHBondContact NZ-OD2 3.44Å; A111-D113 PolarHBondContact O-N 3Å
114	C	94.4	Very high	96.3	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.02	16%	0.161	C	C	.	.			trans	-77.1	168.2	174.9	75.6	0	0	0	0	110.7	K79 L81 S112 S142	K79-C114 WeakPolarHBondContact O-CA 3.11Å; L81-C114 HydrophobicContact CB-CB 4.08Å; L81-C114 WeakPolarHBondContact O-CB 3.31Å; S112-C114 PolarHBondContact O-N 3.24Å; S112-C114 WeakPolarHBondContact OG-CB 3.45Å; S112-C114 PolarHBondContact OG-N 2.86Å; S112-C114 PolarHBondContact OG-SG 3.01Å; C114-S142 VanDerWaalsContact O-CA 3.26Å; C114-S142 WeakPolarHBondContact O-CA 3.48Å; C114-S142 WeakPolarHBondContact O-CB 3.37Å
115	R	93.4	Very high	96.1	Very high	165 Å²	165	31.9 Å²	31.9	62%	0.623	18%	0.179	S	C	*	.			trans	-114.6	80	170.6	-58.5	-170.6	-171.6	-168	-1.7	108.3	R117 Q145	R115-R117 WeakPolarHBondContact O-CD 3.47Å; R115-R117 PolarHBondContact O-N 2.8Å; R115-Q145 HydrophobicContact CB-CB 4.31Å; R115-Q145 HydrophobicContact CB-CG 4.44Å
116	L	97.4	Very high	95.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.179	C	C	.	.			trans	-65.4	132.5	-173.7	-158.6	73.9	0	0	0	108.9	L81 A84 I109 L119 F137 S142 Q145 L146	L81-L116 HydrophobicContact CD2-CD1 4.14Å; L81-L116 HydrophobicContact CG-CD1 3.93Å; A84-L116 HydrophobicContact CB-CD1 4.12Å; A84-L116 HydrophobicContact CB-CD2 4.16Å; I109-L116 HydrophobicContact CG2-CD2 4.28Å; L116-L119 HydrophobicContact CD2-CB 3.99Å; L116-L119 HydrophobicContact CD2-CD1 4.15Å; L116-F137 HydrophobicContact CB-CZ 4.14Å; L116-F137 HydrophobicContact CD2-CE1 4.08Å; L116-F137 HydrophobicContact CD2-CE2 4.38Å; L116-F137 HydrophobicContact CD2-CZ 3.51Å; L116-F137 HydrophobicContact CG-CZ 4.46Å; L116-S142 PolarHBondContact N-O 2.8Å; L116-S142 VanDerWaalsContact N-O 3.11Å; L116-Q145 CarbonylContact O-C 3.01Å; L116-Q145 VanDerWaalsContact O-C 3.26Å; L116-L146 HydrophobicContact CB-CD2 4.19Å; L116-L146 HydrophobicContact CD2-CD2 4.12Å; L116-L146 HydrophobicContact CG-CD2 4.19Å; L116-L146 VanDerWaalsContact O-CA 3.31Å; L116-L146 WeakPolarHBondContact O-CA 3.45Å; L116-L146 PolarHBondContact O-N 2.88Å; L116-L146 VanDerWaalsContact O-N 3.15Å
117	R	97.2	Very high	95.7	Very high	68 Å²	68	32.2 Å²	32.2	26%	0.257	18%	0.183	S	C	.	.			trans	-104.9	-34.8	179.3	-50.6	-50.9	-63.2	-84.8	10.6	111.5	K82 R115 Q145 E147 E148	K82-R117 HydrophobicContact CB-CG 4.27Å; K82-R117 HydrophobicContact CG-CG 4.47Å; K82-R117 WeakPolarHBondContact O-CA 3.46Å; K82-R117 PolarHBondContact O-N 3.1Å; R115-R117 WeakPolarHBondContact O-CD 3.47Å; R115-R117 PolarHBondContact O-N 2.8Å; R117-Q145 WeakPolarHBondContact CD-O 3.28Å; R117-Q145 PolarHBondContact NE-O 2.87Å; R117-E147 HydrophobicContact CB-CG 4.09Å; R117-E147 IonicContact CZ-OE1 3.44Å; R117-E147 IonicContact NE-OE1 2.67Å; R117-E147 IonicContact NH1-OE1 3.79Å; R117-E147 VanDerWaalsContact NH2-CG 3.34Å; R117-E147 IonicContact NH2-OE1 3.49Å; R117-E147 PolarHBondContact NH2-OE1 3.07Å; R117-E147 WeakPolarHBondContact O-CA 3.35Å; R117-E147 WeakPolarHBondContact O-CB 3.43Å; R117-E147 PolarHBondContact O-N 3.45Å; R117-E148 PolarHBondContact O-N 2.69Å
118	V	97.1	Very high	95.6	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	126.1	180	-179.3	0	0	0	0	109.8	L12 K82 K83 A84 I85 E148 L150	L12-V118 HydrophobicContact CD1-CG1 3.68Å; K82-V118 PolarHBondContact O-N 2.95Å; K83-V118 WeakPolarHBondContact CA-O 3.2Å; K83-V118 HydrophobicContact CB-CB 4.06Å; K83-V118 HydrophobicContact CD-CB 4.32Å; K83-V118 HydrophobicContact CD-CG2 4.04Å; K83-V118 HydrophobicContact CG-CB 3.87Å; K83-V118 HydrophobicContact CG-CG2 3.9Å; A84-V118 PolarHBondContact N-O 3.27Å; I85-V118 HydrophobicContact CD1-CG1 3.93Å; V118-E148 HydrophobicContact CG1-CB 4.25Å; V118-E148 HydrophobicContact CG2-CB 4.15Å; V118-E148 HydrophobicContact CG2-CG 4.16Å; V118-L150 HydrophobicContact CG1-CD1 4.39Å
119	L	97.8	Very high	95.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	118	168	179.3	67.2	0	0	0	109	A84 L86 M106 L116 L121 F137 L146 E148 I149 L150	A84-L119 HydrophobicContact CB-CD1 4.23Å; L86-L119 HydrophobicContact CD1-CD1 4.42Å; M106-L119 HydrophobicContact CE-CD1 4.29Å; L116-L119 HydrophobicContact CD2-CB 3.99Å; L116-L119 HydrophobicContact CD2-CD1 4.15Å; L119-L121 HydrophobicContact CD1-CD1 4.06Å; L119-L121 HydrophobicContact CD1-CG 3.98Å; L119-L121 HydrophobicContact CD2-CD1 3.69Å; L119-L121 HydrophobicContact CD2-CG 4.36Å; L119-L121 HydrophobicContact CG-CD1 3.96Å; L119-L121 HydrophobicContact CG-CG 4.08Å; L119-F137 HydrophobicContact CD2-CD1 3.87Å; L119-F137 HydrophobicContact CD2-CE1 3.64Å; L119-L146 HydrophobicContact CB-CD2 4.02Å; L119-E148 PolarHBondContact N-O 3.25Å; L119-I149 WeakPolarHBondContact O-CA 3.34Å; L119-L150 PolarHBondContact O-N 2.92Å
120	D	97.4	Very high	95.5	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.043	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	117.9	169.9	-176.5	5	0	0	0	109.8	A84 I85 L86 S87 S122 L150	A84-D120 PolarHBondContact O-N 3.1Å; I85-D120 HydrophobicContact CD1-CB 4.06Å; I85-D120 HydrophobicContact CG2-CB 4.39Å; L86-D120 CarbonylContact C-O 3.26Å; L86-D120 VanDerWaalsContact CA-O 3.23Å; L86-D120 WeakPolarHBondContact CA-O 3.39Å; L86-D120 WeakPolarHBondContact CB-O 3.45Å; L86-D120 PolarHBondContact N-O 3.13Å; S87-D120 PolarHBondContact N-O 3.48Å; D120-S122 VanDerWaalsContact OD1-CB 3.22Å; D120-S122 WeakPolarHBondContact OD1-CB 3.23Å; D120-S122 PolarHBondContact OD1-N 3.23Å; D120-S122 PolarHBondContact OD1-OG 3.46Å; D120-L150 HydrophobicContact CB-CB 4.06Å; D120-L150 HydrophobicContact CB-CD1 4.42Å; D120-L150 WeakPolarHBondContact OD1-CB 3.44Å
121	L	98.1	Very high	95.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.192	C	C	.	.			trans	-123	21.7	176	-71.5	165.1	0	0	0	110.8	L86 L102 M106 L119 N124 F126 V134 L150 L151 N154	L86-L121 HydrophobicContact CB-CD2 3.73Å; L86-L121 HydrophobicContact CD1-CD2 4.11Å; L102-L121 HydrophobicContact CD1-CD2 3.78Å; M106-L121 HydrophobicContact CE-CD1 4.48Å; M106-L121 HydrophobicContact CE-CD2 4.19Å; M106-L121 HydrophobicContact SD-CD1 4.22Å; L119-L121 HydrophobicContact CD1-CD1 4.06Å; L119-L121 HydrophobicContact CD1-CG 3.98Å; L119-L121 HydrophobicContact CD2-CD1 3.69Å; L119-L121 HydrophobicContact CD2-CG 4.36Å; L119-L121 HydrophobicContact CG-CD1 3.96Å; L119-L121 HydrophobicContact CG-CG 4.08Å; L121-N124 VanDerWaalsContact C-ND2 3.32Å; L121-N124 PolarHBondContact O-ND2 2.98Å; L121-F126 HydrophobicContact CB-CE1 4.02Å; L121-V134 HydrophobicContact CD1-CG1 4.05Å; L121-V134 HydrophobicContact CD1-CG2 3.67Å; L121-L150 PolarHBondContact N-O 3.27Å; L121-L151 HydrophobicContact CB-CD2 3.97Å; L121-L151 HydrophobicContact CD1-CD2 4.24Å; L121-N154 PolarHBondContact O-ND2 3.49Å; L121-N154 PolarHBondContact O-OD1 2.93Å; L121-N154 VanDerWaalsContact O-OD1 3.07Å
122	S	95.8	Very high	95.6	Very high	6 Å²	6	36.5 Å²	36.5	4%	0.042	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	153.7	-178.6	-53.5	0	0	0	0	112.3	S87 D88 D120 N124 T152	S87-S122 CarbonylContact C-O 3.22Å; S87-S122 WeakPolarHBondContact CA-O 3.41Å; S87-S122 WeakPolarHBondContact CB-O 3.4Å; D88-S122 PolarHBondContact N-O 2.95Å; D120-S122 VanDerWaalsContact OD1-CB 3.22Å; D120-S122 WeakPolarHBondContact OD1-CB 3.23Å; D120-S122 PolarHBondContact OD1-N 3.23Å; D120-S122 PolarHBondContact OD1-OG 3.46Å; S122-N124 VanDerWaalsContact C-N 3.28Å; S122-N124 PolarHBondContact O-N 3.31Å; S122-N124 PolarHBondContact O-ND2 3.49Å; S122-T152 CarbonylContact C-O 3.44Å; S122-T152 WeakPolarHBondContact CA-O 3.33Å; S122-T152 PolarHBondContact OG-N 2.95Å
123	D	93.8	Very high	95.8	Very high	71 Å²	71	38.1 Å²	38.1	38%	0.38	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	31.6	175.5	-60.1	-60.1	0	0	0	115.3	D88 T152 N153	D88-D123 HydrophobicContact CB-CB 4.07Å; D123-T152 PolarHBondContact N-O 2.59Å; D123-N153 WeakPolarHBondContact OD1-CB 3.45Å; D123-N153 PolarHBondContact OD1-ND2 3.33Å
124	N	95.7	Very high	96.2	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	17%	0.172	C	C	.	.			trans	-106.2	-3.2	177.9	-78.6	-54.7	0	0	0	114.3	L86 I89 F90 L98 L121 S122 F126 N154	L86-N124 PolarHBondContact O-ND2 3.49Å; I89-N124 WeakPolarHBondContact CG1-OD1 3.39Å; I89-N124 PolarHBondContact N-OD1 3.32Å; F90-N124 HydrophobicContact CD2-CB 3.99Å; F90-N124 WeakPolarHBondContact CD2-OD1 3.13Å; F90-N124 PolarHBondContact N-OD1 3.49Å; L98-N124 VanDerWaalsContact CD1-O 3.25Å; L98-N124 WeakPolarHBondContact CD1-O 3.13Å; L121-N124 VanDerWaalsContact C-ND2 3.32Å; L121-N124 PolarHBondContact O-ND2 2.98Å; S122-N124 VanDerWaalsContact C-N 3.28Å; S122-N124 PolarHBondContact O-N 3.31Å; S122-N124 PolarHBondContact O-ND2 3.49Å; N124-F126 HydrophobicContact CB-CD1 3.84Å; N124-F126 PolarHBondContact O-N 3.4Å; N124-N154 WeakPolarHBondContact CA-OD1 3.44Å; N124-N154 VanDerWaalsContact CB-OD1 3.28Å; N124-N154 WeakPolarHBondContact CB-OD1 3.31Å; N124-N154 PolarHBondContact N-OD1 3.06Å
125	A	93.4	Very high	96.4	Very high	67 Å²	67	33.4 Å²	33.4	55%	0.554	17%	0.173	S	C	*	.			trans	46.3	33.3	175.7	0	0	0	0	0	115	G127 N154	A125-G127 VanDerWaalsContact C-N 3.29Å; A125-G127 PolarHBondContact O-N 2.83Å; A125-N154 CarbonylContact C-O 3.53Å; A125-N154 VanDerWaalsContact C-O 3.3Å; A125-N154 PolarHBondContact N-OD1 3.36Å
126	F	95.2	Very high	96.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.			trans	-78.9	-11.7	-168.7	62.2	-112.4	0	0	0	114.3	L98 L102 L121 N124 G130 A131 V134 L151 N154 L156	L98-F126 HydrophobicContact CD2-CB 3.4Å; L98-F126 VanDerWaalsContact CD2-CB 3.4Å; L102-F126 HydrophobicContact CD2-CB 3.92Å; L102-F126 HydrophobicContact CD2-CD1 4.14Å; L102-F126 HydrophobicContact CD2-CD2 4.37Å; L102-F126 HydrophobicContact CD2-CG 3.91Å; L121-F126 HydrophobicContact CB-CE1 4.02Å; N124-F126 HydrophobicContact CB-CD1 3.84Å; N124-F126 PolarHBondContact O-N 3.4Å; F126-G130 VanDerWaalsContact CD2-C 3.46Å; F126-G130 WeakPolarHBondContact O-CA 3.04Å; F126-G130 PolarHBondContact O-N 3.25Å; F126-A131 HydrophobicContact CE2-CB 4.14Å; F126-V134 HydrophobicContact CE1-CG2 4.35Å; F126-V134 HydrophobicContact CE2-CG2 4.02Å; F126-V134 HydrophobicContact CZ-CG2 3.91Å; F126-L151 HydrophobicContact CZ-CD2 4.2Å; F126-N154 HydrophobicContact CD1-CB 3.93Å; F126-N154 VanDerWaalsContact CD1-CG 3.48Å; F126-N154 WeakPolarHBondContact CD1-OD1 3.46Å; F126-N154 HydrophobicContact CE1-CB 3.61Å; F126-N154 WeakPolarHBondContact CE1-ND2 3.32Å; F126-N154 WeakPolarHBondContact CE1-OD1 3.35Å; F126-N154 HydrophobicContact CE2-CB 4.27Å; F126-N154 HydrophobicContact CG-CB 4.37Å; F126-N154 HydrophobicContact CZ-CB 3.78Å; F126-N154 PolarHBondContact N-O 3.08Å; F126-L156 HydrophobicContact CD2-CD2 4.15Å; F126-L156 HydrophobicContact CE2-CD2 3.29Å; F126-L156 HydrophobicContact CZ-CD2 3.81Å
127	G	95.1	Very high	96.7	Very high	10 Å²	10	30.8 Å²	30.8	10%	0.103	17%	0.168	C	C	.	.	H	α-helix	trans	61.3	-168.4	172.6	0	0	0	0	0	115	A125 V129 G130 A131 N154 G155	A125-G127 VanDerWaalsContact C-N 3.29Å; A125-G127 PolarHBondContact O-N 2.83Å; G127-V129 PolarHBondContact O-N 2.85Å; G127-G130 PolarHBondContact O-N 3.1Å; G127-A131 WeakPolarHBondContact O-CB 3.22Å; G127-A131 PolarHBondContact O-N 2.84Å; G127-N154 WeakPolarHBondContact CA-O 3.4Å; G127-N154 PolarHBondContact N-O 3.01Å; G127-G155 WeakPolarHBondContact CA-O 3.48Å
128	P	95.4	Very high	96.7	Very high	60 Å²	60	27.6 Å²	27.6	39%	0.39	16%	0.156	S	C	.	.	H	α-helix	trans	-66.8	-23.3	178.9	25.6	-34.3	0	0	0	113.3	I163	P128-I163 WeakPolarHBondContact O-CD1 3.3Å
129	V	95.6	Very high	96.7	Very high	78 Å²	78	29.3 Å²	29.3	47%	0.473	17%	0.168	S	C	.	.	H	α-helix	trans	-70.8	-51.6	175.9	-178.6	0	0	0	0	110	P99 G127 A131 K132	P99-V129 HydrophobicContact CB-CG1 3.94Å; P99-V129 HydrophobicContact CG-CB 4.38Å; P99-V129 HydrophobicContact CG-CG1 3.82Å; G127-V129 PolarHBondContact O-N 2.85Å; V129-A131 VanDerWaalsContact C-N 3.26Å; V129-A131 PolarHBondContact O-N 3.05Å; V129-K132 WeakPolarHBondContact O-CB 3.34Å; V129-K132 PolarHBondContact O-N 2.96Å
130	G	96.4	Very high	96.6	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.8	-28.5	175.2	0	0	0	0	0	113.2	F126 G127 K132 E133 V134	F126-G130 VanDerWaalsContact CD2-C 3.46Å; F126-G130 WeakPolarHBondContact O-CA 3.04Å; F126-G130 PolarHBondContact O-N 3.25Å; G127-G130 PolarHBondContact O-N 3.1Å; G130-K132 PolarHBondContact O-N 2.76Å; G130-E133 WeakPolarHBondContact O-CB 3.28Å; G130-E133 PolarHBondContact O-N 3.43Å; G130-V134 PolarHBondContact O-N 3.43Å
131	A	98.2	Very high	96.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.5	-31.2	174.6	0	0	0	0	0	112.5	F126 G127 V129 E133 V134 G135 L156 I163 I164	F126-A131 HydrophobicContact CE2-CB 4.14Å; G127-A131 WeakPolarHBondContact O-CB 3.22Å; G127-A131 PolarHBondContact O-N 2.84Å; V129-A131 VanDerWaalsContact C-N 3.26Å; V129-A131 PolarHBondContact O-N 3.05Å; A131-E133 VanDerWaalsContact C-N 3.32Å; A131-V134 PolarHBondContact O-N 3.32Å; A131-G135 PolarHBondContact O-N 2.9Å; A131-L156 HydrophobicContact CB-CD2 3.81Å; A131-I163 HydrophobicContact CB-CB 4.34Å; A131-I163 HydrophobicContact CB-CD1 4.45Å; A131-I163 HydrophobicContact CB-CG2 4.22Å; A131-I163 WeakPolarHBondContact O-CG2 3.18Å; A131-I164 HydrophobicContact CB-CD1 4.38Å; A131-I164 HydrophobicContact CB-CG1 4.47Å
132	K	97.8	Very high	96.2	Very high	124 Å²	124	34.4 Å²	34.4	54%	0.539	20%	0.202	S	C	.	.	H	α-helix	trans	-64.2	-38.5	173.5	-63.4	-178.6	179.7	-177.9	0	112	V129 G130 G135 Q136 I163	V129-K132 WeakPolarHBondContact O-CB 3.34Å; V129-K132 PolarHBondContact O-N 2.96Å; G130-K132 PolarHBondContact O-N 2.76Å; K132-G135 PolarHBondContact O-N 3.13Å; K132-Q136 WeakPolarHBondContact O-CG 3.3Å; K132-Q136 PolarHBondContact O-N 2.91Å; K132-I163 HydrophobicContact CG-CD1 3.8Å; K132-I163 HydrophobicContact CG-CG2 4.42Å
133	E	97.3	Very high	96.3	Very high	37 Å²	37	34.1 Å²	34.1	17%	0.173	20%	0.2	C	C	.	.	H	α-helix	trans	-71.8	-39.8	179.4	-48.7	-54.7	163.6	0	0	111.5	L102 N103 G130 A131 G135 F137	L102-E133 HydrophobicContact CG-CB 4.44Å; N103-E133 HydrophobicContact CB-CB 4.25Å; N103-E133 HydrophobicContact CB-CG 4Å; N103-E133 PolarHBondContact ND2-OE2 2.9Å; G130-E133 WeakPolarHBondContact O-CB 3.28Å; G130-E133 PolarHBondContact O-N 3.43Å; A131-E133 VanDerWaalsContact C-N 3.32Å; E133-G135 VanDerWaalsContact C-N 3.32Å; E133-F137 PolarHBondContact O-N 3.09Å
134	V	98.6	Very high	96.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.9	-41.6	170.9	-178.7	0	0	0	0	110.5	L102 L121 F126 G130 A131 Q136 F137 L138 I164	L102-V134 HydrophobicContact CD2-CG2 3.89Å; L121-V134 HydrophobicContact CD1-CG1 4.05Å; L121-V134 HydrophobicContact CD1-CG2 3.67Å; F126-V134 HydrophobicContact CE1-CG2 4.35Å; F126-V134 HydrophobicContact CE2-CG2 4.02Å; F126-V134 HydrophobicContact CZ-CG2 3.91Å; G130-V134 PolarHBondContact O-N 3.43Å; A131-V134 PolarHBondContact O-N 3.32Å; V134-Q136 PolarHBondContact O-N 3.31Å; V134-F137 WeakPolarHBondContact O-CB 3.03Å; V134-F137 PolarHBondContact O-N 3.46Å; V134-F137 VanDerWaalsContact O-N 3.09Å; V134-L138 HydrophobicContact CG1-CD1 4.05Å; V134-L138 HydrophobicContact CG1-CG 4.19Å; V134-L138 WeakPolarHBondContact O-CG 3.36Å; V134-L138 PolarHBondContact O-N 2.77Å; V134-I164 HydrophobicContact CB-CD1 4.1Å; V134-I164 HydrophobicContact CG1-CD1 3.86Å
135	G	98.2	Very high	96.3	Very high	3 Å²	3	33.4 Å²	33.4	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-58.8	-43.8	178.7	0	0	0	0	0	113	A131 K132 E133 F137 L138 S139 S167	A131-G135 PolarHBondContact O-N 2.9Å; K132-G135 PolarHBondContact O-N 3.13Å; E133-G135 VanDerWaalsContact C-N 3.32Å; G135-F137 VanDerWaalsContact C-N 3.27Å; G135-F137 PolarHBondContact O-N 3.1Å; G135-L138 PolarHBondContact O-N 3Å; G135-L138 VanDerWaalsContact O-N 3.13Å; G135-S139 PolarHBondContact O-N 2.73Å; G135-S139 PolarHBondContact O-OG 2.74Å; G135-S167 WeakPolarHBondContact CA-OG 3.39Å
136	Q	97.6	Very high	96.5	Very high	111 Å²	111	30.3 Å²	30.3	52%	0.519	17%	0.169	S	C	.	.	H	α-helix	trans	-57.2	-39.5	173.7	-72	172.5	23.1	0	0	112.7	K132 V134 S140	K132-Q136 WeakPolarHBondContact O-CG 3.3Å; K132-Q136 PolarHBondContact O-N 2.91Å; V134-Q136 PolarHBondContact O-N 3.31Å; Q136-S140 PolarHBondContact O-N 2.86Å
137	F	98	Very high	96.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68.7	-45.1	173.9	163.8	-103.8	0	0	0	112	M106 I109 S110 L116 L119 E133 V134 G135 S139 S140 A143 L146	M106-F137 HydrophobicContact CB-CB 4.02Å; M106-F137 HydrophobicContact CG-CB 4.39Å; M106-F137 HydrophobicContact SD-CB 4.06Å; M106-F137 HydrophobicContact SD-CD1 4.13Å; M106-F137 HydrophobicContact SD-CG 4.11Å; I109-F137 HydrophobicContact CB-CE2 4.46Å; I109-F137 HydrophobicContact CG2-CD2 4.22Å; I109-F137 HydrophobicContact CG2-CE2 3.63Å; I109-F137 HydrophobicContact CG2-CZ 4.24Å; S110-F137 WeakPolarHBondContact OG-CD2 3.31Å; L116-F137 HydrophobicContact CB-CZ 4.14Å; L116-F137 HydrophobicContact CD2-CE1 4.08Å; L116-F137 HydrophobicContact CD2-CE2 4.38Å; L116-F137 HydrophobicContact CD2-CZ 3.51Å; L116-F137 HydrophobicContact CG-CZ 4.46Å; L119-F137 HydrophobicContact CD2-CD1 3.87Å; L119-F137 HydrophobicContact CD2-CE1 3.64Å; E133-F137 PolarHBondContact O-N 3.09Å; V134-F137 WeakPolarHBondContact O-CB 3.03Å; V134-F137 PolarHBondContact O-N 3.46Å; V134-F137 VanDerWaalsContact O-N 3.09Å; G135-F137 VanDerWaalsContact C-N 3.27Å; G135-F137 PolarHBondContact O-N 3.1Å; F137-S139 PolarHBondContact O-N 2.85Å; F137-S140 WeakPolarHBondContact O-CB 3.34Å; F137-S140 PolarHBondContact O-N 2.91Å; F137-S140 PolarHBondContact O-OG 2.79Å; F137-A143 HydrophobicContact CE1-CB 4.2Å; F137-A143 HydrophobicContact CE2-CB 4.37Å; F137-A143 HydrophobicContact CZ-CB 4.03Å; F137-A143 WeakPolarHBondContact O-CB 3.05Å; F137-L146 HydrophobicContact CE1-CD1 3.96Å; F137-L146 HydrophobicContact CZ-CD1 4.35Å
138	L	98.2	Very high	96.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.7	-32.8	179.4	-68.9	177.8	0	0	0	112.3	V134 G135 S140 A143 L146 I149 I164 L168 L171	V134-L138 HydrophobicContact CG1-CD1 4.05Å; V134-L138 HydrophobicContact CG1-CG 4.19Å; V134-L138 WeakPolarHBondContact O-CG 3.36Å; V134-L138 PolarHBondContact O-N 2.77Å; G135-L138 PolarHBondContact O-N 3Å; G135-L138 VanDerWaalsContact O-N 3.13Å; L138-S140 PolarHBondContact O-N 2.77Å; L138-A143 WeakPolarHBondContact O-CB 3.45Å; L138-L146 HydrophobicContact CD2-CD1 3.57Å; L138-I149 HydrophobicContact CD2-CD1 3.81Å; L138-I164 HydrophobicContact CD1-CD1 4.09Å; L138-I164 HydrophobicContact CD1-CG2 4.22Å; L138-L168 HydrophobicContact CD1-CD2 4.29Å; L138-L171 WeakPolarHBondContact O-CB 3.33Å
139	S	96.6	Very high	96.9	Very high	37 Å²	37	29.4 Å²	29.4	26%	0.259	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-3.4	172.8	-56.8	0	0	0	0	113.7	G135 F137 N174	G135-S139 PolarHBondContact O-N 2.73Å; G135-S139 PolarHBondContact O-OG 2.74Å; F137-S139 PolarHBondContact O-N 2.85Å; S139-N174 PolarHBondContact O-ND2 2.8Å
140	S	95.4	Very high	96.9	Very high	14 Å²	14	25.9 Å²	25.9	10%	0.098	14%	0.135	C	C	.	.	S	Bend	trans	-85.7	155.7	-179.3	81.4	0	0	0	0	112.4	Q136 F137 L138 S142 A143	Q136-S140 PolarHBondContact O-N 2.86Å; F137-S140 WeakPolarHBondContact O-CB 3.34Å; F137-S140 PolarHBondContact O-N 2.91Å; F137-S140 PolarHBondContact O-OG 2.79Å; L138-S140 PolarHBondContact O-N 2.77Å; S140-S142 PolarHBondContact O-N 3.49Å; S140-S142 VanDerWaalsContact O-N 3.1Å; S140-S142 PolarHBondContact OG-N 2.73Å; S140-A143 PolarHBondContact O-N 3.33Å; S140-A143 VanDerWaalsContact O-N 3.08Å
141	P	93.4	Very high	97	Very high	98 Å²	98	25.9 Å²	25.9	64%	0.636	14%	0.135	S	C	*	.	G	3₁₀ helix	trans	-55.7	-28.9	175	-27.1	35.7	0	0	0	114.1	A143 I144	P141-A143 PolarHBondContact O-N 2.84Å; P141-I144 HydrophobicContact CB-CD1 4.44Å; P141-I144 PolarHBondContact O-N 3.48Å
142	S	95.1	Very high	96.8	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.021	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-67.7	-16	-179	-57.8	0	0	0	0	113.6	S110 C114 L116 S140	S110-S142 PolarHBondContact O-OG 3.27Å; C114-S142 VanDerWaalsContact O-CA 3.26Å; C114-S142 WeakPolarHBondContact O-CA 3.48Å; C114-S142 WeakPolarHBondContact O-CB 3.37Å; L116-S142 PolarHBondContact N-O 2.8Å; L116-S142 VanDerWaalsContact N-O 3.11Å; S140-S142 PolarHBondContact O-N 3.49Å; S140-S142 VanDerWaalsContact O-N 3.1Å; S140-S142 PolarHBondContact OG-N 2.73Å
143	A	97	Very high	96.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-95.9	-13.1	179.9	0	0	0	0	0	114.3	F137 L138 S140 P141 Q145 L146 L171	F137-A143 HydrophobicContact CE1-CB 4.2Å; F137-A143 HydrophobicContact CE2-CB 4.37Å; F137-A143 HydrophobicContact CZ-CB 4.03Å; F137-A143 WeakPolarHBondContact O-CB 3.05Å; L138-A143 WeakPolarHBondContact O-CB 3.45Å; S140-A143 PolarHBondContact O-N 3.33Å; S140-A143 VanDerWaalsContact O-N 3.08Å; P141-A143 PolarHBondContact O-N 2.84Å; A143-Q145 PolarHBondContact O-N 3.22Å; A143-L146 HydrophobicContact CB-CD1 3.73Å; A143-L146 HydrophobicContact CB-CG 4.37Å; A143-L146 VanDerWaalsContact O-CB 3.31Å; A143-L146 WeakPolarHBondContact O-CB 3.44Å; A143-L146 WeakPolarHBondContact O-CG 3.49Å; A143-L146 PolarHBondContact O-N 2.85Å; A143-L171 HydrophobicContact CB-CD1 4.07Å; A143-L171 WeakPolarHBondContact O-CD1 3.31Å
144	I	95.1	Very high	96.5	Very high	17 Å²	17	22 Å²	22	9%	0.087	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-32.3	-174.3	-69.1	172.3	0	0	0	112.9	P141 N174 A175 A178 V180	P141-I144 HydrophobicContact CB-CD1 4.44Å; P141-I144 PolarHBondContact O-N 3.48Å; I144-N174 HydrophobicContact CD1-CB 4.06Å; I144-N174 HydrophobicContact CG1-CB 4.27Å; I144-A175 HydrophobicContact CG2-CB 3.85Å; I144-A178 HydrophobicContact CD1-CB 4.23Å; I144-V180 HydrophobicContact CG2-CB 4.08Å; I144-V180 HydrophobicContact CG2-CG1 3.93Å
145	Q	94.5	Very high	96.3	Very high	42 Å²	42	24.1 Å²	24.1	20%	0.196	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	12.4	-179.2	-62.8	-158.2	-25.3	0	0	114.4	R115 L116 R117 A143 E147	R115-Q145 HydrophobicContact CB-CB 4.31Å; R115-Q145 HydrophobicContact CB-CG 4.44Å; L116-Q145 CarbonylContact O-C 3.01Å; L116-Q145 VanDerWaalsContact O-C 3.26Å; R117-Q145 WeakPolarHBondContact CD-O 3.28Å; R117-Q145 PolarHBondContact NE-O 2.87Å; A143-Q145 PolarHBondContact O-N 3.22Å; Q145-E147 PolarHBondContact O-N 3.41Å
146	L	97.8	Very high	96.2	Very high	3 Å²	3	24 Å²	24	2%	0.016	14%	0.143	C	C	.	.			trans	-55.8	130.8	174.8	-82.2	169.2	0	0	0	110	L116 L119 F137 L138 A143 I149 S183 L184	L116-L146 HydrophobicContact CB-CD2 4.19Å; L116-L146 HydrophobicContact CD2-CD2 4.12Å; L116-L146 HydrophobicContact CG-CD2 4.19Å; L116-L146 VanDerWaalsContact O-CA 3.31Å; L116-L146 WeakPolarHBondContact O-CA 3.45Å; L116-L146 PolarHBondContact O-N 2.88Å; L116-L146 VanDerWaalsContact O-N 3.15Å; L119-L146 HydrophobicContact CB-CD2 4.02Å; F137-L146 HydrophobicContact CE1-CD1 3.96Å; F137-L146 HydrophobicContact CZ-CD1 4.35Å; L138-L146 HydrophobicContact CD2-CD1 3.57Å; A143-L146 HydrophobicContact CB-CD1 3.73Å; A143-L146 HydrophobicContact CB-CG 4.37Å; A143-L146 VanDerWaalsContact O-CB 3.31Å; A143-L146 WeakPolarHBondContact O-CB 3.44Å; A143-L146 WeakPolarHBondContact O-CG 3.49Å; A143-L146 PolarHBondContact O-N 2.85Å; L146-I149 HydrophobicContact CB-CG1 4.47Å; L146-I149 HydrophobicContact CD1-CD1 3.94Å; L146-I149 HydrophobicContact CD1-CG1 4.06Å; L146-S183 CarbonylContact O-C 3.54Å; L146-L184 VanDerWaalsContact O-CA 3.28Å; L146-L184 WeakPolarHBondContact O-CA 3.34Å; L146-L184 PolarHBondContact O-N 2.81Å
147	E	97.8	Very high	96.1	Very high	33 Å²	33	19.8 Å²	19.8	15%	0.154	13%	0.129	C	C	.	.			trans	-104.4	-35.2	175.6	-56	-177.9	133.7	0	0	110.7	R117 Q145 S183 R185 R186	R117-E147 HydrophobicContact CB-CG 4.09Å; R117-E147 IonicContact CZ-OE1 3.44Å; R117-E147 IonicContact NE-OE1 2.67Å; R117-E147 IonicContact NH1-OE1 3.79Å; R117-E147 VanDerWaalsContact NH2-CG 3.34Å; R117-E147 IonicContact NH2-OE1 3.49Å; R117-E147 PolarHBondContact NH2-OE1 3.07Å; R117-E147 WeakPolarHBondContact O-CA 3.35Å; R117-E147 WeakPolarHBondContact O-CB 3.43Å; R117-E147 PolarHBondContact O-N 3.45Å; Q145-E147 PolarHBondContact O-N 3.41Å; E147-S183 WeakPolarHBondContact CA-O 3.25Å; E147-R185 HydrophobicContact CB-CG 4.23Å; E147-R185 VanDerWaalsContact O-CG 3.27Å; E147-R185 WeakPolarHBondContact O-CG 3.45Å; E147-R185 PolarHBondContact O-N 3.43Å; E147-R185 IonicContact OE1-CZ 3.17Å; E147-R185 IonicContact OE1-NH1 2.81Å; E147-R185 PolarHBondContact OE1-NH1 2.77Å; E147-R185 IonicContact OE1-NH2 3.5Å; E147-R185 IonicContact OE2-CZ 2.74Å; E147-R185 VanDerWaalsContact OE2-CZ 3.31Å; E147-R185 IonicContact OE2-NH1 3.98Å; E147-R185 PolarHBondContact OE2-NH1 2.91Å; E147-R185 VanDerWaalsContact OE2-NH1 3.11Å; E147-R185 IonicContact OE2-NH2 3.52Å; E147-R185 PolarHBondContact OE2-NH2 2.86Å; E147-R186 PolarHBondContact O-N 2.93Å
148	E	97.3	Very high	96.1	Very high	16 Å²	16	21.4 Å²	21.4	8%	0.075	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	127.3	-173.5	-46.3	-172.4	-161.2	0	0	110.8	L12 R117 V118 L119 L150 R185 R186	L12-E148 WeakPolarHBondContact CD1-OE2 3.45Å; R117-E148 PolarHBondContact O-N 2.69Å; V118-E148 HydrophobicContact CG1-CB 4.25Å; V118-E148 HydrophobicContact CG2-CB 4.15Å; V118-E148 HydrophobicContact CG2-CG 4.16Å; L119-E148 PolarHBondContact N-O 3.25Å; E148-L150 HydrophobicContact CB-CD1 4Å; E148-R185 IonicContact OE1-CZ 3.42Å; E148-R185 IonicContact OE1-NE 2.77Å; E148-R185 IonicContact OE1-NH2 2.71Å; E148-R185 PolarHBondContact OE1-NH2 2.99Å; E148-R186 WeakPolarHBondContact CA-O 3.37Å; E148-R186 HydrophobicContact CB-CB 4.08Å; E148-R186 HydrophobicContact CG-CB 3.89Å; E148-R186 IonicContact OE1-NH1 3.57Å; E148-R186 WeakPolarHBondContact OE2-CD 3.44Å; E148-R186 IonicContact OE2-CZ 2.82Å; E148-R186 IonicContact OE2-NE 2.81Å; E148-R186 IonicContact OE2-NH1 3.28Å; E148-R186 PolarHBondContact OE2-NH1 2.91Å
149	I	98.1	Very high	96.1	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	118.4	175	-64.5	173.1	0	0	0	108.1	L119 L138 L146 L151 L168 L184 R186 F187 I188	L119-I149 WeakPolarHBondContact O-CA 3.34Å; L138-I149 HydrophobicContact CD2-CD1 3.81Å; L146-I149 HydrophobicContact CB-CG1 4.47Å; L146-I149 HydrophobicContact CD1-CD1 3.94Å; L146-I149 HydrophobicContact CD1-CG1 4.06Å; I149-L151 HydrophobicContact CG2-CD1 3.72Å; I149-L151 HydrophobicContact CG2-CD2 4.22Å; I149-L151 HydrophobicContact CG2-CG 3.65Å; I149-L168 HydrophobicContact CD1-CD2 3.82Å; I149-L184 HydrophobicContact CB-CD1 4.33Å; I149-L184 HydrophobicContact CD1-CD1 3.76Å; I149-L184 HydrophobicContact CD1-CD2 4.4Å; I149-L184 HydrophobicContact CG1-CD1 3.81Å; I149-R186 PolarHBondContact N-O 3.23Å; I149-F187 HydrophobicContact CB-CD2 3.82Å; I149-F187 HydrophobicContact CB-CE2 3.95Å; I149-F187 HydrophobicContact CD1-CD2 4.29Å; I149-F187 HydrophobicContact CD1-CE2 4.13Å; I149-F187 HydrophobicContact CG2-CD2 4.06Å; I149-F187 HydrophobicContact CG2-CE2 3.69Å; I149-F187 HydrophobicContact CG2-CZ 4.43Å; I149-I188 PolarHBondContact O-N 3.35Å
150	L	97.4	Very high	96.1	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	116.7	179.5	-60.4	79.1	0	0	0	109.1	L12 V118 L119 D120 L121 E148 I188	L12-L150 HydrophobicContact CD1-CD1 4.48Å; V118-L150 HydrophobicContact CG1-CD1 4.39Å; L119-L150 PolarHBondContact O-N 2.92Å; D120-L150 HydrophobicContact CB-CB 4.06Å; D120-L150 HydrophobicContact CB-CD1 4.42Å; D120-L150 WeakPolarHBondContact OD1-CB 3.44Å; L121-L150 PolarHBondContact N-O 3.27Å; E148-L150 HydrophobicContact CB-CD1 4Å; L150-I188 HydrophobicContact CB-CB 4.46Å; L150-I188 HydrophobicContact CG-CB 4.27Å; L150-I188 HydrophobicContact CG-CG1 4.06Å
151	L	97.5	Very high	96.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	14%	0.141	C	C	.	.			trans	-131.8	24.5	-172.3	-61	177.2	0	0	0	111.7	L121 F126 I149 N154 I164 F187 I188 V189 N192	L121-L151 HydrophobicContact CB-CD2 3.97Å; L121-L151 HydrophobicContact CD1-CD2 4.24Å; F126-L151 HydrophobicContact CZ-CD2 4.2Å; I149-L151 HydrophobicContact CG2-CD1 3.72Å; I149-L151 HydrophobicContact CG2-CD2 4.22Å; I149-L151 HydrophobicContact CG2-CG 3.65Å; L151-N154 WeakPolarHBondContact CA-ND2 3.49Å; L151-N154 PolarHBondContact O-ND2 3.29Å; L151-I164 HydrophobicContact CD1-CD1 4.31Å; L151-I164 HydrophobicContact CD1-CG1 4.32Å; L151-I164 HydrophobicContact CD1-CG2 4.09Å; L151-F187 HydrophobicContact CD1-CZ 4.21Å; L151-I188 PolarHBondContact N-O 2.85Å; L151-V189 HydrophobicContact CB-CB 4.48Å; L151-V189 HydrophobicContact CB-CG2 4.13Å; L151-N192 PolarHBondContact O-ND2 2.93Å
152	T	94.4	Very high	96.5	Very high	28 Å²	28	21.5 Å²	21.5	17%	0.172	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	140.5	-176.9	-62.2	0	0	0	0	111.6	S122 D123 N154 I188 G190	S122-T152 CarbonylContact C-O 3.44Å; S122-T152 WeakPolarHBondContact CA-O 3.33Å; S122-T152 PolarHBondContact OG-N 2.95Å; D123-T152 PolarHBondContact N-O 2.59Å; T152-N154 PolarHBondContact O-N 2.67Å; T152-N154 PolarHBondContact O-ND2 2.7Å; T152-I188 VanDerWaalsContact OG1-CG2 3.3Å; T152-I188 WeakPolarHBondContact OG1-CG2 3.23Å; T152-G190 CarbonylContact C-O 3.38Å; T152-G190 VanDerWaalsContact CA-O 3.31Å; T152-G190 WeakPolarHBondContact CA-O 3.49Å
153	N	92.8	Very high	96.7	Very high	53 Å²	53	23 Å²	23	28%	0.283	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	49.9	171.5	-169.8	36.3	0	0	0	114.5	D123 G190 R191	D123-N153 WeakPolarHBondContact OD1-CB 3.45Å; D123-N153 PolarHBondContact OD1-ND2 3.33Å; N153-G190 PolarHBondContact N-O 2.75Å; N153-R191 WeakPolarHBondContact CA-O 3.27Å; N153-R191 HydrophobicContact CB-CB 4.08Å
154	N	95.8	Very high	96.8	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.142	C	C	.	.			trans	-108.9	0.2	177.2	-78.2	-58.1	0	0	0	114.4	L121 N124 A125 F126 G127 L151 T152 L156 N192	L121-N154 PolarHBondContact O-ND2 3.49Å; L121-N154 PolarHBondContact O-OD1 2.93Å; L121-N154 VanDerWaalsContact O-OD1 3.07Å; N124-N154 WeakPolarHBondContact CA-OD1 3.44Å; N124-N154 VanDerWaalsContact CB-OD1 3.28Å; N124-N154 WeakPolarHBondContact CB-OD1 3.31Å; N124-N154 PolarHBondContact N-OD1 3.06Å; A125-N154 CarbonylContact C-O 3.53Å; A125-N154 VanDerWaalsContact C-O 3.3Å; A125-N154 PolarHBondContact N-OD1 3.36Å; F126-N154 HydrophobicContact CD1-CB 3.93Å; F126-N154 VanDerWaalsContact CD1-CG 3.48Å; F126-N154 WeakPolarHBondContact CD1-OD1 3.46Å; F126-N154 HydrophobicContact CE1-CB 3.61Å; F126-N154 WeakPolarHBondContact CE1-ND2 3.32Å; F126-N154 WeakPolarHBondContact CE1-OD1 3.35Å; F126-N154 HydrophobicContact CE2-CB 4.27Å; F126-N154 HydrophobicContact CG-CB 4.37Å; F126-N154 HydrophobicContact CZ-CB 3.78Å; F126-N154 PolarHBondContact N-O 3.08Å; G127-N154 WeakPolarHBondContact CA-O 3.4Å; G127-N154 PolarHBondContact N-O 3.01Å; L151-N154 WeakPolarHBondContact CA-ND2 3.49Å; L151-N154 PolarHBondContact O-ND2 3.29Å; T152-N154 PolarHBondContact O-N 2.67Å; T152-N154 PolarHBondContact O-ND2 2.7Å; N154-L156 HydrophobicContact CB-CD2 4.4Å; N154-L156 HydrophobicContact CB-CG 4.21Å; N154-L156 PolarHBondContact O-N 3.27Å; N154-N192 VanDerWaalsContact CA-OD1 3.28Å; N154-N192 WeakPolarHBondContact CA-OD1 3.34Å; N154-N192 WeakPolarHBondContact CB-OD1 3.02Å; N154-N192 PolarHBondContact N-OD1 3.35Å
155	G	93.8	Very high	97	Very high	44 Å²	44	22.5 Å²	22.5	45%	0.454	14%	0.14	S	C	.	.			trans	58.8	31.9	179.5	0	0	0	0	0	113.2	G127 G157 N192	G127-G155 WeakPolarHBondContact CA-O 3.48Å; G155-G157 PolarHBondContact O-N 3.41Å; G155-G157 VanDerWaalsContact O-N 3.15Å; G155-N192 PolarHBondContact N-OD1 2.96Å
156	L	96.9	Very high	97.2	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	16%	0.163	C	C	.	.			trans	-53	-37.3	-176.6	-66.8	173.1	0	0	0	112.4	F126 A131 N154 G160 I164 V189 N192 L194	F126-L156 HydrophobicContact CD2-CD2 4.15Å; F126-L156 HydrophobicContact CE2-CD2 3.29Å; F126-L156 HydrophobicContact CZ-CD2 3.81Å; A131-L156 HydrophobicContact CB-CD2 3.81Å; N154-L156 HydrophobicContact CB-CD2 4.4Å; N154-L156 HydrophobicContact CB-CG 4.21Å; N154-L156 PolarHBondContact O-N 3.27Å; L156-G160 WeakPolarHBondContact O-CA 3.39Å; L156-G160 PolarHBondContact O-N 3.28Å; L156-I164 HydrophobicContact CD1-CG1 4.41Å; L156-I164 HydrophobicContact CD2-CG1 4.44Å; L156-V189 HydrophobicContact CD1-CG2 3.78Å; L156-N192 HydrophobicContact CB-CB 4.1Å; L156-N192 HydrophobicContact CD1-CB 4.2Å; L156-N192 HydrophobicContact CG-CB 4.28Å; L156-N192 WeakPolarHBondContact CG-OD1 3.49Å; L156-N192 PolarHBondContact N-O 2.83Å; L156-N192 PolarHBondContact N-OD1 3.38Å; L156-L194 HydrophobicContact CB-CD2 4.18Å; L156-L194 HydrophobicContact CD1-CD2 4.21Å
157	G	96.1	Very high	97.2	Very high	21 Å²	21	27.8 Å²	27.8	22%	0.216	17%	0.166	C	C	.	.	H	α-helix	trans	63.5	-177.2	-168.9	0	0	0	0	0	111.8	G155 G159 G160 G161 N192 R193	G155-G157 PolarHBondContact O-N 3.41Å; G155-G157 VanDerWaalsContact O-N 3.15Å; G157-G159 VanDerWaalsContact C-N 3.28Å; G157-G159 PolarHBondContact O-N 2.71Å; G157-G160 PolarHBondContact O-N 3.37Å; G157-G161 PolarHBondContact O-N 3.02Å; G157-N192 WeakPolarHBondContact CA-O 3.39Å; G157-N192 PolarHBondContact N-O 3.25Å; G157-R193 CarbonylContact C-O 3.32Å; G157-R193 VanDerWaalsContact CA-O 3.23Å; G157-R193 WeakPolarHBondContact CA-O 3.42Å
158	T	97.7	Very high	97.2	Very high	35 Å²	35	26.2 Å²	26.2	22%	0.215	16%	0.158	C	C	.	.	H	α-helix	trans	-55.3	-42.8	172.1	-51.9	0	0	0	0	112.3	K162 R193 L194 E195	T158-K162 WeakPolarHBondContact O-CG 3.42Å; T158-K162 PolarHBondContact O-N 3.49Å; T158-K162 VanDerWaalsContact O-N 3.13Å; T158-R193 PolarHBondContact N-O 2.91Å; T158-L194 WeakPolarHBondContact CA-O 3.42Å; T158-L194 PolarHBondContact OG1-O 3.03Å; T158-E195 PolarHBondContact OG1-OE2 3.41Å
159	G	96.7	Very high	97.3	Very high	40 Å²	40	31 Å²	31	41%	0.412	18%	0.179	S	C	.	.	H	α-helix	trans	-67.3	-45.1	-179	0	0	0	0	0	113.5	G157 K162 I163	G157-G159 VanDerWaalsContact C-N 3.28Å; G157-G159 PolarHBondContact O-N 2.71Å; G159-K162 PolarHBondContact O-N 3.18Å; G159-I163 WeakPolarHBondContact O-CG1 3.38Å; G159-I163 PolarHBondContact O-N 2.74Å; G159-I163 VanDerWaalsContact O-N 3.12Å
160	G	98.3	Very high	97.3	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.6	-38.8	176.8	0	0	0	0	0	111.8	L156 G157 K162 I163 I164	L156-G160 WeakPolarHBondContact O-CA 3.39Å; L156-G160 PolarHBondContact O-N 3.28Å; G157-G160 PolarHBondContact O-N 3.37Å; G160-K162 VanDerWaalsContact C-N 3.33Å; G160-K162 PolarHBondContact O-N 2.86Å; G160-I163 PolarHBondContact O-N 3.19Å; G160-I164 WeakPolarHBondContact O-CG1 3.45Å; G160-I164 PolarHBondContact O-N 2.9Å
161	G	98.5	Very high	97.3	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-56.5	-45	173.1	0	0	0	0	0	113	G157 I164 A165	G157-G161 PolarHBondContact O-N 3.02Å; G161-I164 PolarHBondContact O-N 2.66Å; G161-A165 WeakPolarHBondContact O-CB 3.46Å; G161-A165 PolarHBondContact O-N 3.41Å
162	K	98.8	Very high	97.3	Very high	111 Å²	111	36 Å²	36	48%	0.483	20%	0.203	S	C	.	.	H	α-helix	trans	-62.6	-42.4	175.8	-73.2	178.3	178.1	-172.3	0	112.9	T158 G159 G160 A165 E166 G197 A201	T158-K162 WeakPolarHBondContact O-CG 3.42Å; T158-K162 PolarHBondContact O-N 3.49Å; T158-K162 VanDerWaalsContact O-N 3.13Å; G159-K162 PolarHBondContact O-N 3.18Å; G160-K162 VanDerWaalsContact C-N 3.33Å; G160-K162 PolarHBondContact O-N 2.86Å; K162-A165 PolarHBondContact O-N 2.99Å; K162-E166 WeakPolarHBondContact O-CB 3.15Å; K162-E166 PolarHBondContact O-N 3.31Å; K162-G197 WeakPolarHBondContact CE-O 3.36Å; K162-A201 HydrophobicContact CB-CB 4.47Å; K162-A201 HydrophobicContact CG-CB 3.87Å
163	I	98.8	Very high	97.4	Very high	33 Å²	33	36.8 Å²	36.8	17%	0.169	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-45.1	177.4	-68.5	160.8	0	0	0	110.6	P128 A131 K132 G159 G160 E166 S167	P128-I163 WeakPolarHBondContact O-CD1 3.3Å; A131-I163 HydrophobicContact CB-CB 4.34Å; A131-I163 HydrophobicContact CB-CD1 4.45Å; A131-I163 HydrophobicContact CB-CG2 4.22Å; A131-I163 WeakPolarHBondContact O-CG2 3.18Å; K132-I163 HydrophobicContact CG-CD1 3.8Å; K132-I163 HydrophobicContact CG-CG2 4.42Å; G159-I163 WeakPolarHBondContact O-CG1 3.38Å; G159-I163 PolarHBondContact O-N 2.74Å; G159-I163 VanDerWaalsContact O-N 3.12Å; G160-I163 PolarHBondContact O-N 3.19Å; I163-E166 PolarHBondContact O-N 3.28Å; I163-S167 WeakPolarHBondContact O-CB 3.42Å; I163-S167 PolarHBondContact O-N 3.01Å; I163-S167 PolarHBondContact O-OG 3.24Å
164	I	98.8	Very high	97.5	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-62.4	-45.2	176.8	-63.7	-60.2	0	0	0	110.5	A131 V134 L138 L151 L156 G160 G161 E166 S167 L168 F187 L202	A131-I164 HydrophobicContact CB-CD1 4.38Å; A131-I164 HydrophobicContact CB-CG1 4.47Å; V134-I164 HydrophobicContact CB-CD1 4.1Å; V134-I164 HydrophobicContact CG1-CD1 3.86Å; L138-I164 HydrophobicContact CD1-CD1 4.09Å; L138-I164 HydrophobicContact CD1-CG2 4.22Å; L151-I164 HydrophobicContact CD1-CD1 4.31Å; L151-I164 HydrophobicContact CD1-CG1 4.32Å; L151-I164 HydrophobicContact CD1-CG2 4.09Å; L156-I164 HydrophobicContact CD1-CG1 4.41Å; L156-I164 HydrophobicContact CD2-CG1 4.44Å; G160-I164 WeakPolarHBondContact O-CG1 3.45Å; G160-I164 PolarHBondContact O-N 2.9Å; G161-I164 PolarHBondContact O-N 2.66Å; I164-E166 PolarHBondContact O-N 2.91Å; I164-S167 PolarHBondContact O-N 3.37Å; I164-L168 HydrophobicContact CG2-CD1 4.18Å; I164-L168 HydrophobicContact CG2-CG 4.41Å; I164-L168 WeakPolarHBondContact O-CG 2.93Å; I164-L168 PolarHBondContact O-N 3.5Å; I164-F187 HydrophobicContact CG2-CE2 4.46Å; I164-F187 HydrophobicContact CG2-CZ 3.93Å; I164-L202 HydrophobicContact CG2-CD2 4.29Å
165	A	98.8	Very high	97.5	Very high	6 Å²	6	35.6 Å²	35.6	5%	0.05	20%	0.203	C	C	.	.	H	α-helix	trans	-59.6	-46.5	177.3	0	0	0	0	0	113	G161 K162 S167 L168 K169 A201 L202 V205	G161-A165 WeakPolarHBondContact O-CB 3.46Å; G161-A165 PolarHBondContact O-N 3.41Å; K162-A165 PolarHBondContact O-N 2.99Å; A165-S167 VanDerWaalsContact C-N 3.3Å; A165-S167 PolarHBondContact O-N 3.34Å; A165-L168 PolarHBondContact O-N 2.75Å; A165-K169 PolarHBondContact O-N 3.25Å; A165-A201 VanDerWaalsContact CB-C 3.43Å; A165-A201 HydrophobicContact CB-CB 3.69Å; A165-A201 WeakPolarHBondContact CB-O 3.36Å; A165-L202 HydrophobicContact CB-CD2 4.04Å; A165-L202 HydrophobicContact CB-CG 4.33Å; A165-V205 HydrophobicContact CB-CG1 4.24Å
166	E	98.7	Very high	97.6	Very high	144 Å²	144	41.9 Å²	41.9	67%	0.673	22%	0.218	S	C	*	.	H	α-helix	trans	-60.9	-40.7	176.2	-176.1	175.8	-166.5	0	0	111.5	K162 I163 I164 K169 E170	K162-E166 WeakPolarHBondContact O-CB 3.15Å; K162-E166 PolarHBondContact O-N 3.31Å; I163-E166 PolarHBondContact O-N 3.28Å; I164-E166 PolarHBondContact O-N 2.91Å; E166-K169 WeakPolarHBondContact O-CB 3.46Å; E166-K169 PolarHBondContact O-N 3.26Å; E166-E170 PolarHBondContact O-N 2.91Å
167	S	98.5	Very high	97.6	Very high	12 Å²	12	48.8 Å²	48.8	8%	0.084	25%	0.25	C	S	.	.	H	α-helix	trans	-69.1	-34.4	178.5	-50.4	0	0	0	0	112.4	G135 I163 I164 A165 K169 E170 L171	G135-S167 WeakPolarHBondContact CA-OG 3.39Å; I163-S167 WeakPolarHBondContact O-CB 3.42Å; I163-S167 PolarHBondContact O-N 3.01Å; I163-S167 PolarHBondContact O-OG 3.24Å; I164-S167 PolarHBondContact O-N 3.37Å; A165-S167 VanDerWaalsContact C-N 3.3Å; A165-S167 PolarHBondContact O-N 3.34Å; S167-K169 VanDerWaalsContact C-N 3.34Å; S167-E170 PolarHBondContact O-N 2.7Å; S167-L171 PolarHBondContact O-N 3.15Å
168	L	98.6	Very high	97.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68.3	-33.9	171.6	-69.8	174.5	0	0	0	112	L138 I149 I164 A165 E170 L171 L172 L184 F187 L202 V205 F209	L138-L168 HydrophobicContact CD1-CD2 4.29Å; I149-L168 HydrophobicContact CD1-CD2 3.82Å; I164-L168 HydrophobicContact CG2-CD1 4.18Å; I164-L168 HydrophobicContact CG2-CG 4.41Å; I164-L168 WeakPolarHBondContact O-CG 2.93Å; I164-L168 PolarHBondContact O-N 3.5Å; A165-L168 PolarHBondContact O-N 2.75Å; L168-E170 VanDerWaalsContact C-N 3.32Å; L168-L171 HydrophobicContact CD2-CD1 4.32Å; L168-L171 WeakPolarHBondContact O-CB 3.28Å; L168-L171 PolarHBondContact O-N 3.43Å; L168-L172 WeakPolarHBondContact O-CG 3.08Å; L168-L172 PolarHBondContact O-N 3.04Å; L168-L184 HydrophobicContact CD2-CD2 4.42Å; L168-F187 HydrophobicContact CD1-CD2 4.42Å; L168-F187 HydrophobicContact CD1-CE2 3.67Å; L168-F187 HydrophobicContact CD1-CZ 4.05Å; L168-L202 HydrophobicContact CD1-CD2 4.26Å; L168-V205 HydrophobicContact CB-CG1 4.18Å; L168-V205 HydrophobicContact CB-CG2 3.8Å; L168-V205 HydrophobicContact CD1-CG1 4.18Å; L168-F209 HydrophobicContact CB-CE2 4.3Å; L168-F209 HydrophobicContact CB-CZ 4.42Å; L168-F209 HydrophobicContact CD2-CZ 4.32Å
169	K	98	Very high	97.4	Very high	117 Å²	117	56.1 Å²	56.1	51%	0.509	29%	0.291	S	S	.	.	H	α-helix	trans	-65.3	-39.8	173.5	-170.2	175	-172.9	169.3	0	111.1	A165 E166 S167 L172 S173 V205	A165-K169 PolarHBondContact O-N 3.25Å; E166-K169 WeakPolarHBondContact O-CB 3.46Å; E166-K169 PolarHBondContact O-N 3.26Å; S167-K169 VanDerWaalsContact C-N 3.34Å; K169-L172 PolarHBondContact O-N 2.74Å; K169-S173 PolarHBondContact O-N 3.26Å; K169-V205 HydrophobicContact CB-CG2 4.24Å
170	E	97.9	Very high	97.3	Very high	83 Å²	83	56.6 Å²	56.6	39%	0.388	29%	0.286	S	S	.	.	H	α-helix	trans	-66.2	-38.7	172.8	-169.7	56.6	-152.1	0	0	111.8	E166 S167 L168 L172 S173 N174	E166-E170 PolarHBondContact O-N 2.91Å; S167-E170 PolarHBondContact O-N 2.7Å; L168-E170 VanDerWaalsContact C-N 3.32Å; E170-L172 VanDerWaalsContact C-N 3.33Å; E170-L172 PolarHBondContact O-N 2.78Å; E170-S173 WeakPolarHBondContact O-CB 3.34Å; E170-S173 PolarHBondContact O-N 2.74Å; E170-N174 WeakPolarHBondContact O-CB 3.38Å; E170-N174 PolarHBondContact O-N 2.92Å; E170-N174 PolarHBondContact O-ND2 3.36Å
171	L	97.6	Very high	97	Very high	6 Å²	6	64.3 Å²	64.3	3%	0.031	32%	0.322	C	S	.	.	H	α-helix	trans	-55.6	-47.2	171.3	-175.1	161.5	0	0	0	111.3	L138 A143 S167 L168 S173 N174 A175 F209	L138-L171 WeakPolarHBondContact O-CB 3.33Å; A143-L171 HydrophobicContact CB-CD1 4.07Å; A143-L171 WeakPolarHBondContact O-CD1 3.31Å; S167-L171 PolarHBondContact O-N 3.15Å; L168-L171 HydrophobicContact CD2-CD1 4.32Å; L168-L171 WeakPolarHBondContact O-CB 3.28Å; L168-L171 PolarHBondContact O-N 3.43Å; L171-S173 PolarHBondContact O-N 3.07Å; L171-N174 PolarHBondContact O-N 3.1Å; L171-A175 WeakPolarHBondContact O-CB 3.28Å; L171-A175 PolarHBondContact O-N 3.48Å; L171-F209 HydrophobicContact CD2-CE1 4.42Å
172	L	97.4	Very high	96.5	Very high	19 Å²	19	65.5 Å²	65.5	10%	0.099	33%	0.33	C	S	.	.	H	α-helix	trans	-61.5	-42.1	176.5	-69.6	175.5	0	0	0	112.1	L168 K169 E170 A175 K176 P182 V205 E208 F209	L168-L172 WeakPolarHBondContact O-CG 3.08Å; L168-L172 PolarHBondContact O-N 3.04Å; K169-L172 PolarHBondContact O-N 2.74Å; E170-L172 VanDerWaalsContact C-N 3.33Å; E170-L172 PolarHBondContact O-N 2.78Å; L172-A175 PolarHBondContact O-N 3.04Å; L172-K176 WeakPolarHBondContact O-CB 3.16Å; L172-K176 PolarHBondContact O-N 3.22Å; L172-P182 HydrophobicContact CD2-CB 3.76Å; L172-P182 HydrophobicContact CD2-CG 3.33Å; L172-V205 HydrophobicContact CD1-CG2 3.68Å; L172-E208 HydrophobicContact CD1-CB 3.61Å; L172-F209 HydrophobicContact CD1-CD2 4.32Å; L172-F209 HydrophobicContact CD1-CE2 4.18Å; L172-F209 HydrophobicContact CD1-CZ 4.41Å; L172-F209 HydrophobicContact CD2-CD1 3.73Å; L172-F209 HydrophobicContact CD2-CD2 4.47Å; L172-F209 HydrophobicContact CD2-CE1 3.54Å; L172-F209 HydrophobicContact CD2-CE2 4.33Å; L172-F209 HydrophobicContact CD2-CG 4.19Å; L172-F209 HydrophobicContact CD2-CZ 3.87Å; L172-F209 HydrophobicContact CG-CE1 4.22Å; L172-F209 HydrophobicContact CG-CE2 4.29Å; L172-F209 HydrophobicContact CG-CZ 4.02Å
173	S	97.1	Very high	96.3	Very high	45 Å²	45	62 Å²	62	32%	0.315	32%	0.319	S	S	.	.	H	α-helix	trans	-58.6	-47.2	174.3	179.9	0	0	0	0	111.3	K169 E170 L171 K176 Q177	K169-S173 PolarHBondContact O-N 3.26Å; E170-S173 WeakPolarHBondContact O-CB 3.34Å; E170-S173 PolarHBondContact O-N 2.74Å; L171-S173 PolarHBondContact O-N 3.07Å; S173-K176 PolarHBondContact O-N 3.22Å; S173-Q177 WeakPolarHBondContact O-CG 3.31Å; S173-Q177 PolarHBondContact O-N 2.78Å; S173-Q177 PolarHBondContact OG-NE2 2.9Å
174	N	95.5	Very high	96.3	Very high	28 Å²	28	60.6 Å²	60.6	15%	0.15	31%	0.312	C	S	.	.	H	α-helix	trans	-66.8	-39.4	179.1	-71.3	-31.6	0	0	0	112.5	S139 I144 E170 L171 K176 Q177 A178	S139-N174 PolarHBondContact O-ND2 2.8Å; I144-N174 HydrophobicContact CD1-CB 4.06Å; I144-N174 HydrophobicContact CG1-CB 4.27Å; E170-N174 WeakPolarHBondContact O-CB 3.38Å; E170-N174 PolarHBondContact O-N 2.92Å; E170-N174 PolarHBondContact O-ND2 3.36Å; L171-N174 PolarHBondContact O-N 3.1Å; N174-K176 VanDerWaalsContact C-N 3.34Å; N174-K176 PolarHBondContact O-N 2.96Å; N174-Q177 PolarHBondContact O-N 2.95Å; N174-A178 WeakPolarHBondContact O-CB 3.39Å; N174-A178 PolarHBondContact O-N 3.42Å
175	A	95.9	Very high	96.2	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-59.8	-45.8	174.2	0	0	0	0	0	111	I144 L171 L172 Q177 A178 D179 V180 P182	I144-A175 HydrophobicContact CG2-CB 3.85Å; L171-A175 WeakPolarHBondContact O-CB 3.28Å; L171-A175 PolarHBondContact O-N 3.48Å; L172-A175 PolarHBondContact O-N 3.04Å; A175-Q177 PolarHBondContact O-N 3.38Å; A175-A178 CarbonylContact O-C 3.3Å; A175-A178 PolarHBondContact O-N 2.91Å; A175-D179 PolarHBondContact O-N 3.13Å; A175-D179 VanDerWaalsContact O-N 3.13Å; A175-V180 CarbonylContact C-O 3.57Å; A175-V180 WeakPolarHBondContact CB-O 3.32Å; A175-V180 PolarHBondContact O-N 2.53Å; A175-V180 VanDerWaalsContact O-O 3.12Å; A175-P182 HydrophobicContact CB-CG 4.12Å
176	K	96	Very high	96.1	Very high	177 Å²	177	65.1 Å²	65.1	77%	0.77	33%	0.327	S	S	*	.	H	α-helix	trans	-62.4	-42	176	-175.5	178.9	-179.6	178.6	0	112.5	L172 S173 N174 A178 D179	L172-K176 WeakPolarHBondContact O-CB 3.16Å; L172-K176 PolarHBondContact O-N 3.22Å; S173-K176 PolarHBondContact O-N 3.22Å; N174-K176 VanDerWaalsContact C-N 3.34Å; N174-K176 PolarHBondContact O-N 2.96Å; K176-A178 VanDerWaalsContact C-N 3.3Å; K176-A178 PolarHBondContact O-N 2.91Å; K176-D179 PolarHBondContact O-N 3.37Å
177	Q	95.8	Very high	96	Very high	145 Å²	145	58.3 Å²	58.3	68%	0.678	30%	0.295	S	S	*	.	H	α-helix	trans	-65.4	-34.9	176.5	-72	175	43.3	0	0	112.3	S173 N174 A175 D179	S173-Q177 WeakPolarHBondContact O-CG 3.31Å; S173-Q177 PolarHBondContact O-N 2.78Å; S173-Q177 PolarHBondContact OG-NE2 2.9Å; N174-Q177 PolarHBondContact O-N 2.95Å; A175-Q177 PolarHBondContact O-N 3.38Å; Q177-D179 VanDerWaalsContact C-N 3.27Å; Q177-D179 PolarHBondContact O-N 3.11Å
178	A	94.6	Very high	95.9	Very high	55 Å²	55	58.6 Å²	58.6	46%	0.455	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-2.5	177.1	0	0	0	0	0	113.9	I144 N174 A175 K176 V180	I144-A178 HydrophobicContact CD1-CB 4.23Å; N174-A178 WeakPolarHBondContact O-CB 3.39Å; N174-A178 PolarHBondContact O-N 3.42Å; A175-A178 CarbonylContact O-C 3.3Å; A175-A178 PolarHBondContact O-N 2.91Å; K176-A178 VanDerWaalsContact C-N 3.3Å; K176-A178 PolarHBondContact O-N 2.91Å; A178-V180 VanDerWaalsContact C-N 3.26Å; A178-V180 HydrophobicContact CB-CG2 4.12Å; A178-V180 PolarHBondContact O-N 3.21Å
179	D	96	Very high	95.8	Very high	156 Å²	156	58.7 Å²	58.7	83%	0.834	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	41.9	-172	-164.1	36.2	0	0	0	112.6	A175 K176 Q177	A175-D179 PolarHBondContact O-N 3.13Å; A175-D179 VanDerWaalsContact O-N 3.13Å; K176-D179 PolarHBondContact O-N 3.37Å; Q177-D179 VanDerWaalsContact C-N 3.27Å; Q177-D179 PolarHBondContact O-N 3.11Å
180	V	93.8	Very high	95.5	Very high	50 Å²	50	53.1 Å²	53.1	30%	0.303	27%	0.272	S	S	.	.			trans	-119.8	135	178.4	178.7	0	0	0	0	109.1	I144 A175 A178	I144-V180 HydrophobicContact CG2-CB 4.08Å; I144-V180 HydrophobicContact CG2-CG1 3.93Å; A175-V180 CarbonylContact C-O 3.57Å; A175-V180 WeakPolarHBondContact CB-O 3.32Å; A175-V180 PolarHBondContact O-N 2.53Å; A175-V180 VanDerWaalsContact O-O 3.12Å; A178-V180 VanDerWaalsContact C-N 3.26Å; A178-V180 HydrophobicContact CB-CG2 4.12Å; A178-V180 PolarHBondContact O-N 3.21Å
181	Q	91.9	Very high	95.2	Very high	161 Å²	161	55 Å²	55	75%	0.752	28%	0.276	S	S	*	.			trans	-73.6	132.3	174.1	-67.4	-70.7	26.9	0	0	111	S183	Q181-S183 PolarHBondContact O-N 2.64Å
182	P	88.8	Confident	95.1	Very high	26 Å²	26	54.8 Å²	54.8	17%	0.169	27%	0.274	C	S	.	.			trans	-54.9	137	171.4	-21.8	31.6	0	0	0	110.8	L172 A175 F209	L172-P182 HydrophobicContact CD2-CB 3.76Å; L172-P182 HydrophobicContact CD2-CG 3.33Å; A175-P182 HydrophobicContact CB-CG 4.12Å; P182-F209 HydrophobicContact CB-CD1 3.79Å; P182-F209 HydrophobicContact CB-CE1 3.86Å
183	S	93.7	Very high	94.8	Very high	37 Å²	37	63.1 Å²	63.1	26%	0.259	31%	0.305	S	S	.	.			trans	-109.2	3.6	-175.2	-60.3	0	0	0	0	113.8	L146 E147 Q181 R185	L146-S183 CarbonylContact O-C 3.54Å; E147-S183 WeakPolarHBondContact CA-O 3.25Å; Q181-S183 PolarHBondContact O-N 2.64Å; S183-R185 PolarHBondContact O-N 3.31Å; S183-R185 VanDerWaalsContact O-N 3.1Å
184	L	98	Very high	94.8	Very high	3 Å²	3	61 Å²	61	2%	0.016	29%	0.29	C	S	.	.			trans	-65.1	114.3	-173.8	-173.2	67.3	0	0	0	109.4	L146 I149 L168 F187 F209 S211 L212	L146-L184 VanDerWaalsContact O-CA 3.28Å; L146-L184 WeakPolarHBondContact O-CA 3.34Å; L146-L184 PolarHBondContact O-N 2.81Å; I149-L184 HydrophobicContact CB-CD1 4.33Å; I149-L184 HydrophobicContact CD1-CD1 3.76Å; I149-L184 HydrophobicContact CD1-CD2 4.4Å; I149-L184 HydrophobicContact CG1-CD1 3.81Å; L168-L184 HydrophobicContact CD2-CD2 4.42Å; L184-F187 HydrophobicContact CD2-CD2 4.02Å; L184-F209 HydrophobicContact CB-CD1 3.81Å; L184-F209 HydrophobicContact CB-CE1 3.54Å; L184-F209 HydrophobicContact CB-CZ 4.19Å; L184-F209 HydrophobicContact CD2-CD1 4.31Å; L184-F209 HydrophobicContact CD2-CD2 4.36Å; L184-F209 HydrophobicContact CD2-CE1 3.81Å; L184-F209 HydrophobicContact CD2-CE2 3.85Å; L184-F209 HydrophobicContact CD2-CZ 3.56Å; L184-F209 HydrophobicContact CG-CE1 4.33Å; L184-S211 CarbonylContact O-C 3.58Å; L184-S211 WeakPolarHBondContact O-CB 3.44Å; L184-S211 PolarHBondContact O-OG 3.01Å; L184-L212 HydrophobicContact CB-CD2 4.45Å; L184-L212 HydrophobicContact CD2-CD2 4.03Å; L184-L212 HydrophobicContact CG-CD2 3.87Å
185	R	97.2	Very high	94.8	Very high	66 Å²	66	64.4 Å²	64.4	25%	0.249	31%	0.305	C	S	.	.			trans	-113.2	-28.6	178.9	61.6	165.6	179.2	-94	-10.6	112.6	E147 E148 S183 E213 E214	E147-R185 HydrophobicContact CB-CG 4.23Å; E147-R185 VanDerWaalsContact O-CG 3.27Å; E147-R185 WeakPolarHBondContact O-CG 3.45Å; E147-R185 PolarHBondContact O-N 3.43Å; E147-R185 IonicContact OE1-CZ 3.17Å; E147-R185 IonicContact OE1-NH1 2.81Å; E147-R185 PolarHBondContact OE1-NH1 2.77Å; E147-R185 IonicContact OE1-NH2 3.5Å; E147-R185 IonicContact OE2-CZ 2.74Å; E147-R185 VanDerWaalsContact OE2-CZ 3.31Å; E147-R185 IonicContact OE2-NH1 3.98Å; E147-R185 PolarHBondContact OE2-NH1 2.91Å; E147-R185 VanDerWaalsContact OE2-NH1 3.11Å; E147-R185 IonicContact OE2-NH2 3.52Å; E147-R185 PolarHBondContact OE2-NH2 2.86Å; E148-R185 IonicContact OE1-CZ 3.42Å; E148-R185 IonicContact OE1-NE 2.77Å; E148-R185 IonicContact OE1-NH2 2.71Å; E148-R185 PolarHBondContact OE1-NH2 2.99Å; S183-R185 PolarHBondContact O-N 3.31Å; S183-R185 VanDerWaalsContact O-N 3.1Å; R185-E213 HydrophobicContact CB-CB 4.21Å; R185-E213 HydrophobicContact CB-CG 3.98Å; R185-E213 WeakPolarHBondContact O-CA 3.42Å; R185-E213 PolarHBondContact O-N 3.26Å; R185-E214 PolarHBondContact O-N 3.25Å
186	R	96.3	Very high	94.9	Very high	38 Å²	38	66.2 Å²	66.2	14%	0.143	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.8	-176.5	-180	-177.9	-73.8	168.2	-13.9	110.7	E147 E148 I149 I188 E214	E147-R186 PolarHBondContact O-N 2.93Å; E148-R186 WeakPolarHBondContact CA-O 3.37Å; E148-R186 HydrophobicContact CB-CB 4.08Å; E148-R186 HydrophobicContact CG-CB 3.89Å; E148-R186 IonicContact OE1-NH1 3.57Å; E148-R186 WeakPolarHBondContact OE2-CD 3.44Å; E148-R186 IonicContact OE2-CZ 2.82Å; E148-R186 IonicContact OE2-NE 2.81Å; E148-R186 IonicContact OE2-NH1 3.28Å; E148-R186 PolarHBondContact OE2-NH1 2.91Å; I149-R186 PolarHBondContact N-O 3.23Å; R186-I188 HydrophobicContact CG-CD1 3.8Å; R186-I188 HydrophobicContact CG-CG1 3.89Å; R186-E214 WeakPolarHBondContact CA-O 3.48Å; R186-E214 HydrophobicContact CB-CB 4.38Å; R186-E214 HydrophobicContact CG-CB 4.17Å; R186-E214 HydrophobicContact CG-CG 4.07Å; R186-E214 IonicContact CZ-OE2 3.63Å; R186-E214 VanDerWaalsContact CZ-OE2 3.23Å; R186-E214 IonicContact NE-OE1 3.85Å; R186-E214 IonicContact NE-OE2 2.84Å; R186-E214 PolarHBondContact NE-OE2 3.19Å; R186-E214 IonicContact NH2-OE2 3.54Å; R186-E214 PolarHBondContact NH2-OE2 2.92Å
187	F	97.8	Very high	95	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	110	176.1	-162.3	-87.5	0	0	0	111.1	I149 L151 I164 L168 L184 V189 L202 F206 E214 I215 C216	I149-F187 HydrophobicContact CB-CD2 3.82Å; I149-F187 HydrophobicContact CB-CE2 3.95Å; I149-F187 HydrophobicContact CD1-CD2 4.29Å; I149-F187 HydrophobicContact CD1-CE2 4.13Å; I149-F187 HydrophobicContact CG2-CD2 4.06Å; I149-F187 HydrophobicContact CG2-CE2 3.69Å; I149-F187 HydrophobicContact CG2-CZ 4.43Å; L151-F187 HydrophobicContact CD1-CZ 4.21Å; I164-F187 HydrophobicContact CG2-CE2 4.46Å; I164-F187 HydrophobicContact CG2-CZ 3.93Å; L168-F187 HydrophobicContact CD1-CD2 4.42Å; L168-F187 HydrophobicContact CD1-CE2 3.67Å; L168-F187 HydrophobicContact CD1-CZ 4.05Å; L184-F187 HydrophobicContact CD2-CD2 4.02Å; F187-V189 HydrophobicContact CD1-CB 4.19Å; F187-V189 HydrophobicContact CD1-CG1 3.89Å; F187-V189 HydrophobicContact CE1-CB 3.71Å; F187-V189 HydrophobicContact CE1-CG1 3.57Å; F187-V189 HydrophobicContact CE1-CG2 4.33Å; F187-L202 HydrophobicContact CE1-CD1 4.32Å; F187-L202 HydrophobicContact CE1-CD2 4.08Å; F187-L202 HydrophobicContact CZ-CD2 3.99Å; F187-F206 HydrophobicContact CB-CE1 4.38Å; F187-F206 HydrophobicContact CB-CZ 4.33Å; F187-F206 AromaticContact CD1-CE1 3.92Å; F187-F206 HydrophobicContact CD1-CE1 3.92Å; F187-F206 AromaticContact CD1-CZ 3.43Å; F187-F206 HydrophobicContact CD1-CZ 3.43Å; F187-F206 VanDerWaalsContact CD1-CZ 3.43Å; F187-F206 HydrophobicContact CD2-CE1 4.29Å; F187-F206 HydrophobicContact CE1-CE1 4.21Å; F187-F206 AromaticContact CE1-CZ 3.77Å; F187-F206 HydrophobicContact CE1-CZ 3.77Å; F187-F206 AromaticContact CG-CE1 3.93Å; F187-F206 HydrophobicContact CG-CE1 3.93Å; F187-F206 AromaticContact CG-CZ 3.87Å; F187-F206 HydrophobicContact CG-CZ 3.87Å; F187-F206 HydrophobicContact CZ-CZ 4.5Å; F187-E214 PolarHBondContact N-O 3.04Å; F187-I215 WeakPolarHBondContact O-CA 3.26Å; F187-C216 PolarHBondContact O-N 3.19Å; F187-C216 VanDerWaalsContact O-N 3.1Å
188	I	96.1	Very high	95.1	Very high	19 Å²	19	51.9 Å²	51.9	10%	0.097	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	119.7	-177	-45.3	-61.1	0	0	0	108.3	I149 L150 L151 T152 R186 E214 C216	I149-I188 PolarHBondContact O-N 3.35Å; L150-I188 HydrophobicContact CB-CB 4.46Å; L150-I188 HydrophobicContact CG-CB 4.27Å; L150-I188 HydrophobicContact CG-CG1 4.06Å; L151-I188 PolarHBondContact N-O 2.85Å; T152-I188 VanDerWaalsContact OG1-CG2 3.3Å; T152-I188 WeakPolarHBondContact OG1-CG2 3.23Å; R186-I188 HydrophobicContact CG-CD1 3.8Å; R186-I188 HydrophobicContact CG-CG1 3.89Å; I188-E214 HydrophobicContact CD1-CG 3.95Å; I188-C216 CarbonylContact C-O 3.51Å; I188-C216 WeakPolarHBondContact CA-O 3.33Å; I188-C216 HydrophobicContact CD1-CB 3.53Å; I188-C216 VanDerWaalsContact CD1-SG 3.58Å; I188-C216 HydrophobicContact CG2-CB 4.05Å
189	V	96.2	Very high	95.3	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	24%	0.235	C	C	.	.			trans	-144.9	39.8	-176	66.9	0	0	0	0	111.8	L151 L156 F187 N192 L194 L202 C216 M217 N220	L151-V189 HydrophobicContact CB-CB 4.48Å; L151-V189 HydrophobicContact CB-CG2 4.13Å; L156-V189 HydrophobicContact CD1-CG2 3.78Å; F187-V189 HydrophobicContact CD1-CB 4.19Å; F187-V189 HydrophobicContact CD1-CG1 3.89Å; F187-V189 HydrophobicContact CE1-CB 3.71Å; F187-V189 HydrophobicContact CE1-CG1 3.57Å; F187-V189 HydrophobicContact CE1-CG2 4.33Å; V189-N192 HydrophobicContact CG2-CB 4.42Å; V189-N192 WeakPolarHBondContact CG2-ND2 3.44Å; V189-N192 PolarHBondContact O-ND2 3.25Å; V189-L194 HydrophobicContact CG1-CD1 3.84Å; V189-L194 HydrophobicContact CG2-CD1 3.96Å; V189-L194 HydrophobicContact CG2-CD2 4.47Å; V189-L202 HydrophobicContact CG1-CD1 4.22Å; V189-C216 PolarHBondContact N-O 2.88Å; V189-M217 HydrophobicContact CG1-CB 4.28Å; V189-M217 HydrophobicContact CG1-CE 3.9Å; V189-M217 HydrophobicContact CG1-CG 3.66Å; V189-M217 HydrophobicContact CG1-SD 4.32Å; V189-N220 PolarHBondContact O-ND2 2.88Å
190	G	92.3	Very high	95.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.208	C	C	.	.			trans	-65.5	160	177	0	0	0	0	0	113.7	T152 N153 N192 P218	T152-G190 CarbonylContact C-O 3.38Å; T152-G190 VanDerWaalsContact CA-O 3.31Å; T152-G190 WeakPolarHBondContact CA-O 3.49Å; N153-G190 PolarHBondContact N-O 2.75Å; G190-N192 VanDerWaalsContact C-N 3.33Å; G190-N192 PolarHBondContact O-N 3.27Å; G190-N192 PolarHBondContact O-ND2 3.46Å; G190-P218 CarbonylContact C-O 3.08Å; G190-P218 WeakPolarHBondContact CA-O 3.41Å
191	R	90.3	Very high	95.7	Very high	124 Å²	124	42.8 Å²	42.8	47%	0.468	20%	0.2	S	C	.	.	S	Bend	trans	58.3	37.7	169.4	-56.8	177.8	70.1	-163.1	-1	114.4	N153 P218 Q219	N153-R191 WeakPolarHBondContact CA-O 3.27Å; N153-R191 HydrophobicContact CB-CB 4.08Å; R191-P218 PolarHBondContact N-O 3.16Å; R191-Q219 WeakPolarHBondContact CA-O 3.48Å; R191-Q219 HydrophobicContact CG-CB 3.86Å
192	N	95.5	Very high	96	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-112.3	-3.1	-176.9	-84.4	-62.6	0	0	0	114.8	L151 N154 G155 L156 G157 V189 G190 L194 N220	L151-N192 PolarHBondContact O-ND2 2.93Å; N154-N192 VanDerWaalsContact CA-OD1 3.28Å; N154-N192 WeakPolarHBondContact CA-OD1 3.34Å; N154-N192 WeakPolarHBondContact CB-OD1 3.02Å; N154-N192 PolarHBondContact N-OD1 3.35Å; G155-N192 PolarHBondContact N-OD1 2.96Å; L156-N192 HydrophobicContact CB-CB 4.1Å; L156-N192 HydrophobicContact CD1-CB 4.2Å; L156-N192 HydrophobicContact CG-CB 4.28Å; L156-N192 WeakPolarHBondContact CG-OD1 3.49Å; L156-N192 PolarHBondContact N-O 2.83Å; L156-N192 PolarHBondContact N-OD1 3.38Å; G157-N192 WeakPolarHBondContact CA-O 3.39Å; G157-N192 PolarHBondContact N-O 3.25Å; V189-N192 HydrophobicContact CG2-CB 4.42Å; V189-N192 WeakPolarHBondContact CG2-ND2 3.44Å; V189-N192 PolarHBondContact O-ND2 3.25Å; G190-N192 VanDerWaalsContact C-N 3.33Å; G190-N192 PolarHBondContact O-N 3.27Å; G190-N192 PolarHBondContact O-ND2 3.46Å; N192-L194 HydrophobicContact CB-CD2 4.06Å; N192-L194 HydrophobicContact CB-CG 3.89Å; N192-L194 PolarHBondContact O-N 3.13Å; N192-N220 WeakPolarHBondContact CA-OD1 3.46Å; N192-N220 WeakPolarHBondContact CB-OD1 3.37Å; N192-N220 PolarHBondContact N-OD1 2.89Å
193	R	92.7	Very high	96.5	Very high	194 Å²	194	34.1 Å²	34.1	73%	0.732	16%	0.158	S	C	*	.			trans	50.1	45.3	-171.7	-60.8	-170.4	175.8	-165.1	-1.7	111.8	G157 T158 E195 N220	G157-R193 CarbonylContact C-O 3.32Å; G157-R193 VanDerWaalsContact CA-O 3.23Å; G157-R193 WeakPolarHBondContact CA-O 3.42Å; T158-R193 PolarHBondContact N-O 2.91Å; R193-E195 PolarHBondContact O-N 2.95Å; R193-N220 CarbonylContact C-O 3Å; R193-N220 WeakPolarHBondContact CA-O 3.32Å; R193-N220 PolarHBondContact N-OD1 3.22Å
194	L	95.8	Very high	96.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	17%	0.173	C	C	.	.			trans	-62	-29.7	179.2	-65.7	172.9	0	0	0	112.3	L156 T158 V189 N192 G198 L202 M217 N220	L156-L194 HydrophobicContact CB-CD2 4.18Å; L156-L194 HydrophobicContact CD1-CD2 4.21Å; T158-L194 WeakPolarHBondContact CA-O 3.42Å; T158-L194 PolarHBondContact OG1-O 3.03Å; V189-L194 HydrophobicContact CG1-CD1 3.84Å; V189-L194 HydrophobicContact CG2-CD1 3.96Å; V189-L194 HydrophobicContact CG2-CD2 4.47Å; N192-L194 HydrophobicContact CB-CD2 4.06Å; N192-L194 HydrophobicContact CB-CG 3.89Å; N192-L194 PolarHBondContact O-N 3.13Å; L194-G198 WeakPolarHBondContact O-CA 3.37Å; L194-G198 PolarHBondContact O-N 3.41Å; L194-L202 HydrophobicContact CD1-CD1 3.76Å; L194-M217 HydrophobicContact CD1-CE 3.53Å; L194-N220 HydrophobicContact CB-CB 4.19Å; L194-N220 HydrophobicContact CD1-CB 4.49Å; L194-N220 HydrophobicContact CG-CB 4.48Å; L194-N220 VanDerWaalsContact CG-OD1 3.32Å; L194-N220 WeakPolarHBondContact CG-OD1 3.14Å; L194-N220 PolarHBondContact N-O 3.29Å; L194-N220 PolarHBondContact N-OD1 3.2Å
195	E	96.6	Very high	96.7	Very high	101 Å²	101	38.3 Å²	38.3	47%	0.472	17%	0.174	S	C	.	.	H	α-helix	trans	51.6	-165.2	-173.9	-59.8	167.9	-167.6	0	0	110.9	T158 R193 A199 N220	T158-E195 PolarHBondContact OG1-OE2 3.41Å; R193-E195 PolarHBondContact O-N 2.95Å; E195-A199 VanDerWaalsContact O-CB 3.25Å; E195-A199 WeakPolarHBondContact O-CB 3.4Å; E195-A199 PolarHBondContact O-N 3.43Å; E195-A199 VanDerWaalsContact O-N 3.17Å; E195-N220 PolarHBondContact N-O 3.15Å
196	N	97.9	Very high	96.8	Very high	37 Å²	37	35.2 Å²	35.2	20%	0.198	16%	0.162	C	C	.	.	H	α-helix	trans	-63	-44	178.1	-71.4	-19	0	0	0	112.4	G198 A199 I200 T223 E225 G226	N196-G198 VanDerWaalsContact C-N 3.32Å; N196-G198 PolarHBondContact O-N 2.89Å; N196-A199 PolarHBondContact O-N 3.07Å; N196-I200 HydrophobicContact CB-CD1 4.14Å; N196-I200 VanDerWaalsContact O-CB 3.32Å; N196-I200 WeakPolarHBondContact O-CB 3.35Å; N196-I200 WeakPolarHBondContact O-CD1 3.4Å; N196-I200 WeakPolarHBondContact O-CG1 3.42Å; N196-I200 PolarHBondContact O-N 3.5Å; N196-T223 PolarHBondContact ND2-OG1 2.85Å; N196-T223 PolarHBondContact OD1-N 2.93Å; N196-T223 PolarHBondContact OD1-O 3.35Å; N196-T223 PolarHBondContact OD1-OG1 3.43Å; N196-E225 PolarHBondContact ND2-OE2 2.97Å; N196-E225 VanDerWaalsContact ND2-OE2 3.15Å; N196-G226 PolarHBondContact OD1-N 2.89Å
197	G	97.2	Very high	96.9	Very high	22 Å²	22	35.2 Å²	35.2	23%	0.227	17%	0.17	C	C	.	.	H	α-helix	trans	-66.8	-32	-171.4	0	0	0	0	0	113.6	K162	K162-G197 WeakPolarHBondContact CE-O 3.36Å
198	G	98.3	Very high	96.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-77.9	-41.2	173	0	0	0	0	0	111.9	L194 N196 A201 L202	L194-G198 WeakPolarHBondContact O-CA 3.37Å; L194-G198 PolarHBondContact O-N 3.41Å; N196-G198 VanDerWaalsContact C-N 3.32Å; N196-G198 PolarHBondContact O-N 2.89Å; G198-A201 PolarHBondContact O-N 3.32Å; G198-L202 WeakPolarHBondContact O-CG 3.47Å; G198-L202 PolarHBondContact O-N 3.44Å
199	A	98.7	Very high	96.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.7	-41.2	178.4	0	0	0	0	0	113	E195 N196 L202 A203 M217 I222 L230	E195-A199 VanDerWaalsContact O-CB 3.25Å; E195-A199 WeakPolarHBondContact O-CB 3.4Å; E195-A199 PolarHBondContact O-N 3.43Å; E195-A199 VanDerWaalsContact O-N 3.17Å; N196-A199 PolarHBondContact O-N 3.07Å; A199-L202 PolarHBondContact O-N 3.04Å; A199-A203 VanDerWaalsContact O-CB 3.28Å; A199-A203 WeakPolarHBondContact O-CB 3.44Å; A199-A203 PolarHBondContact O-N 3.01Å; A199-M217 HydrophobicContact CB-CE 4.42Å; A199-I222 HydrophobicContact CB-CB 4.45Å; A199-I222 HydrophobicContact CB-CD1 3.72Å; A199-I222 HydrophobicContact CB-CG1 3.86Å; A199-I222 HydrophobicContact CB-CG2 3.74Å; A199-L230 HydrophobicContact CB-CD1 4.18Å; A199-L230 HydrophobicContact CB-CG 4.45Å
200	I	98.8	Very high	96.7	Very high	52 Å²	52	41.8 Å²	41.8	27%	0.267	21%	0.207	S	C	.	.	H	α-helix	trans	-62.9	-46.5	177.2	-68.7	167.2	0	0	0	110.4	N196 L202 A203 E204	N196-I200 HydrophobicContact CB-CD1 4.14Å; N196-I200 VanDerWaalsContact O-CB 3.32Å; N196-I200 WeakPolarHBondContact O-CB 3.35Å; N196-I200 WeakPolarHBondContact O-CD1 3.4Å; N196-I200 WeakPolarHBondContact O-CG1 3.42Å; N196-I200 PolarHBondContact O-N 3.5Å; I200-L202 VanDerWaalsContact C-N 3.34Å; I200-L202 PolarHBondContact O-N 3.1Å; I200-A203 WeakPolarHBondContact O-CB 3.4Å; I200-A203 PolarHBondContact O-N 3.12Å; I200-A203 VanDerWaalsContact O-N 3.16Å; I200-E204 WeakPolarHBondContact O-CG 3.36Å; I200-E204 PolarHBondContact O-N 3.07Å
201	A	98.8	Very high	96.8	Very high	17 Å²	17	43 Å²	43	14%	0.14	22%	0.216	C	C	.	.	H	α-helix	trans	-61.9	-42.5	178.2	0	0	0	0	0	111.8	K162 A165 G198 E204 V205	K162-A201 HydrophobicContact CB-CB 4.47Å; K162-A201 HydrophobicContact CG-CB 3.87Å; A165-A201 VanDerWaalsContact CB-C 3.43Å; A165-A201 HydrophobicContact CB-CB 3.69Å; A165-A201 WeakPolarHBondContact CB-O 3.36Å; G198-A201 PolarHBondContact O-N 3.32Å; A201-E204 PolarHBondContact O-N 2.64Å; A201-V205 PolarHBondContact O-N 3.28Å
202	L	98.9	Very high	97.2	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-65	-39.5	174.1	-73.3	170.5	0	0	0	112	I164 A165 L168 F187 V189 L194 G198 A199 I200 E204 V205 F206 M217	I164-L202 HydrophobicContact CG2-CD2 4.29Å; A165-L202 HydrophobicContact CB-CD2 4.04Å; A165-L202 HydrophobicContact CB-CG 4.33Å; L168-L202 HydrophobicContact CD1-CD2 4.26Å; F187-L202 HydrophobicContact CE1-CD1 4.32Å; F187-L202 HydrophobicContact CE1-CD2 4.08Å; F187-L202 HydrophobicContact CZ-CD2 3.99Å; V189-L202 HydrophobicContact CG1-CD1 4.22Å; L194-L202 HydrophobicContact CD1-CD1 3.76Å; G198-L202 WeakPolarHBondContact O-CG 3.47Å; G198-L202 PolarHBondContact O-N 3.44Å; A199-L202 PolarHBondContact O-N 3.04Å; I200-L202 VanDerWaalsContact C-N 3.34Å; I200-L202 PolarHBondContact O-N 3.1Å; L202-E204 VanDerWaalsContact C-N 3.34Å; L202-E204 PolarHBondContact O-N 3.49Å; L202-V205 WeakPolarHBondContact O-CG1 3.22Å; L202-V205 PolarHBondContact O-N 3.49Å; L202-F206 HydrophobicContact CB-CD2 4.47Å; L202-F206 HydrophobicContact CB-CE1 4.46Å; L202-F206 HydrophobicContact CB-CE2 3.97Å; L202-F206 HydrophobicContact CB-CZ 3.95Å; L202-F206 HydrophobicContact CD2-CE1 4.31Å; L202-F206 HydrophobicContact CD2-CZ 4.19Å; L202-F206 HydrophobicContact CG-CZ 4.47Å; L202-F206 WeakPolarHBondContact O-CB 3.43Å; L202-F206 WeakPolarHBondContact O-CD1 3.41Å; L202-F206 WeakPolarHBondContact O-CD2 3.23Å; L202-F206 WeakPolarHBondContact O-CG 3.46Å; L202-F206 PolarHBondContact O-N 3.33Å; L202-M217 HydrophobicContact CD1-CE 3.79Å
203	A	98.8	Very high	97.3	Very high	5 Å²	5	40.4 Å²	40.4	4%	0.041	21%	0.209	C	C	.	.	H	α-helix	trans	-61.3	-41.4	177.3	0	0	0	0	0	112.2	A199 I200 V205 F206 A207 S229 L230 A233	A199-A203 VanDerWaalsContact O-CB 3.28Å; A199-A203 WeakPolarHBondContact O-CB 3.44Å; A199-A203 PolarHBondContact O-N 3.01Å; I200-A203 WeakPolarHBondContact O-CB 3.4Å; I200-A203 PolarHBondContact O-N 3.12Å; I200-A203 VanDerWaalsContact O-N 3.16Å; A203-V205 VanDerWaalsContact C-N 3.33Å; A203-V205 PolarHBondContact O-N 2.8Å; A203-F206 PolarHBondContact O-N 3.42Å; A203-A207 PolarHBondContact O-N 3.45Å; A203-S229 WeakPolarHBondContact CB-O 3.07Å; A203-L230 HydrophobicContact CB-CD2 4.02Å; A203-L230 HydrophobicContact CB-CG 4.38Å; A203-A233 HydrophobicContact CB-CB 3.99Å; A203-A233 WeakPolarHBondContact O-CB 3.49Å
204	E	98.6	Very high	97.5	Very high	124 Å²	124	32.1 Å²	32.1	58%	0.579	18%	0.179	S	C	*	.	H	α-helix	trans	-56	-47.7	176.4	-73.8	176.5	-174.7	0	0	111.5	I200 A201 L202	I200-E204 WeakPolarHBondContact O-CG 3.36Å; I200-E204 PolarHBondContact O-N 3.07Å; A201-E204 PolarHBondContact O-N 2.64Å; L202-E204 VanDerWaalsContact C-N 3.34Å; L202-E204 PolarHBondContact O-N 3.49Å
205	V	98.4	Very high	97.5	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.024	18%	0.179	C	C	.	.	H	α-helix	trans	-76.6	-33.7	180	69.4	0	0	0	0	112.8	A165 L168 K169 L172 A201 L202 A203 A207 E208 F209	A165-V205 HydrophobicContact CB-CG1 4.24Å; L168-V205 HydrophobicContact CB-CG1 4.18Å; L168-V205 HydrophobicContact CB-CG2 3.8Å; L168-V205 HydrophobicContact CD1-CG1 4.18Å; K169-V205 HydrophobicContact CB-CG2 4.24Å; L172-V205 HydrophobicContact CD1-CG2 3.68Å; A201-V205 PolarHBondContact O-N 3.28Å; L202-V205 WeakPolarHBondContact O-CG1 3.22Å; L202-V205 PolarHBondContact O-N 3.49Å; A203-V205 VanDerWaalsContact C-N 3.33Å; A203-V205 PolarHBondContact O-N 2.8Å; V205-A207 PolarHBondContact O-N 3.1Å; V205-E208 PolarHBondContact O-N 3.23Å; V205-F209 HydrophobicContact CG2-CD2 4.42Å; V205-F209 HydrophobicContact CG2-CE2 3.9Å; V205-F209 WeakPolarHBondContact O-CD2 3.48Å
206	F	98.6	Very high	97.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.8	-33	174.6	-70	-12.8	0	0	0	112.6	F187 L202 A203 E208 F209 L212 I215 M217 L230 A233 N237	F187-F206 HydrophobicContact CB-CE1 4.38Å; F187-F206 HydrophobicContact CB-CZ 4.33Å; F187-F206 AromaticContact CD1-CE1 3.92Å; F187-F206 HydrophobicContact CD1-CE1 3.92Å; F187-F206 AromaticContact CD1-CZ 3.43Å; F187-F206 HydrophobicContact CD1-CZ 3.43Å; F187-F206 VanDerWaalsContact CD1-CZ 3.43Å; F187-F206 HydrophobicContact CD2-CE1 4.29Å; F187-F206 HydrophobicContact CE1-CE1 4.21Å; F187-F206 AromaticContact CE1-CZ 3.77Å; F187-F206 HydrophobicContact CE1-CZ 3.77Å; F187-F206 AromaticContact CG-CE1 3.93Å; F187-F206 HydrophobicContact CG-CE1 3.93Å; F187-F206 AromaticContact CG-CZ 3.87Å; F187-F206 HydrophobicContact CG-CZ 3.87Å; F187-F206 HydrophobicContact CZ-CZ 4.5Å; L202-F206 HydrophobicContact CB-CD2 4.47Å; L202-F206 HydrophobicContact CB-CE1 4.46Å; L202-F206 HydrophobicContact CB-CE2 3.97Å; L202-F206 HydrophobicContact CB-CZ 3.95Å; L202-F206 HydrophobicContact CD2-CE1 4.31Å; L202-F206 HydrophobicContact CD2-CZ 4.19Å; L202-F206 HydrophobicContact CG-CZ 4.47Å; L202-F206 WeakPolarHBondContact O-CB 3.43Å; L202-F206 WeakPolarHBondContact O-CD1 3.41Å; L202-F206 WeakPolarHBondContact O-CD2 3.23Å; L202-F206 WeakPolarHBondContact O-CG 3.46Å; L202-F206 PolarHBondContact O-N 3.33Å; A203-F206 PolarHBondContact O-N 3.42Å; F206-E208 PolarHBondContact O-N 3.44Å; F206-F209 PolarHBondContact O-N 2.67Å; F206-L212 HydrophobicContact CB-CD1 3.77Å; F206-L212 HydrophobicContact CD1-CD1 3.74Å; F206-L212 HydrophobicContact CE1-CD1 4.49Å; F206-L212 HydrophobicContact CG-CD1 3.76Å; F206-I215 HydrophobicContact CD2-CD1 4.05Å; F206-I215 HydrophobicContact CE2-CD1 4.32Å; F206-I215 HydrophobicContact CE2-CG2 4.16Å; F206-M217 HydrophobicContact CE2-SD 4.08Å; F206-L230 HydrophobicContact CD2-CD2 4.3Å; F206-L230 HydrophobicContact CE2-CD2 4.36Å; F206-A233 HydrophobicContact CB-CB 3.95Å; F206-N237 PolarHBondContact O-ND2 2.97Å
207	A	97.8	Very high	97.4	Very high	38 Å²	38	25.8 Å²	25.8	31%	0.314	15%	0.149	S	C	.	.	H	α-helix	trans	-65.3	-19.4	176.4	0	0	0	0	0	113.3	A203 V205 A233 K236	A203-A207 PolarHBondContact O-N 3.45Å; V205-A207 PolarHBondContact O-N 3.1Å; A207-A233 HydrophobicContact CB-CB 4.21Å; A207-K236 HydrophobicContact CB-CB 4.5Å; A207-K236 HydrophobicContact CB-CG 4.27Å
208	E	96.9	Very high	97.1	Very high	114 Å²	114	26.1 Å²	26.1	53%	0.533	15%	0.147	S	C	.	.	H	α-helix	trans	-92.9	-21.5	-179.4	-62	-170.2	-120.5	0	0	113.5	L172 V205 F206	L172-E208 HydrophobicContact CD1-CB 3.61Å; V205-E208 PolarHBondContact O-N 3.23Å; F206-E208 PolarHBondContact O-N 3.44Å
209	F	95.8	Very high	96.6	Very high	17 Å²	17	30.2 Å²	30.2	8%	0.075	17%	0.166	C	C	.	.	H	α-helix	trans	-69.2	-52.7	-178.1	-87	-79.1	0	0	0	113	L168 L171 L172 P182 L184 V205 F206 S211 L212	L168-F209 HydrophobicContact CB-CE2 4.3Å; L168-F209 HydrophobicContact CB-CZ 4.42Å; L168-F209 HydrophobicContact CD2-CZ 4.32Å; L171-F209 HydrophobicContact CD2-CE1 4.42Å; L172-F209 HydrophobicContact CD1-CD2 4.32Å; L172-F209 HydrophobicContact CD1-CE2 4.18Å; L172-F209 HydrophobicContact CD1-CZ 4.41Å; L172-F209 HydrophobicContact CD2-CD1 3.73Å; L172-F209 HydrophobicContact CD2-CD2 4.47Å; L172-F209 HydrophobicContact CD2-CE1 3.54Å; L172-F209 HydrophobicContact CD2-CE2 4.33Å; L172-F209 HydrophobicContact CD2-CG 4.19Å; L172-F209 HydrophobicContact CD2-CZ 3.87Å; L172-F209 HydrophobicContact CG-CE1 4.22Å; L172-F209 HydrophobicContact CG-CE2 4.29Å; L172-F209 HydrophobicContact CG-CZ 4.02Å; P182-F209 HydrophobicContact CB-CD1 3.79Å; P182-F209 HydrophobicContact CB-CE1 3.86Å; L184-F209 HydrophobicContact CB-CD1 3.81Å; L184-F209 HydrophobicContact CB-CE1 3.54Å; L184-F209 HydrophobicContact CB-CZ 4.19Å; L184-F209 HydrophobicContact CD2-CD1 4.31Å; L184-F209 HydrophobicContact CD2-CD2 4.36Å; L184-F209 HydrophobicContact CD2-CE1 3.81Å; L184-F209 HydrophobicContact CD2-CE2 3.85Å; L184-F209 HydrophobicContact CD2-CZ 3.56Å; L184-F209 HydrophobicContact CG-CE1 4.33Å; V205-F209 HydrophobicContact CG2-CD2 4.42Å; V205-F209 HydrophobicContact CG2-CE2 3.9Å; V205-F209 WeakPolarHBondContact O-CD2 3.48Å; F206-F209 PolarHBondContact O-N 2.67Å; F209-S211 PolarHBondContact O-N 2.77Å; F209-L212 HydrophobicContact CB-CD1 4.3Å; F209-L212 HydrophobicContact CB-CG 4.12Å
210	G	94	Very high	96.3	Very high	27 Å²	27	30.3 Å²	30.3	28%	0.278	17%	0.166	S	C	.	.			trans	65.9	-12.4	-173.8	0	0	0	0	0	115.7	N237	G210-N237 VanDerWaalsContact C-OD1 3.28Å; G210-N237 WeakPolarHBondContact CA-OD1 3.35Å; G210-N237 PolarHBondContact N-OD1 2.87Å
211	S	95.7	Very high	95.8	Very high	27 Å²	27	30 Å²	30	19%	0.189	18%	0.176	C	C	.	.			trans	-94.5	-4.7	-177.4	57.9	0	0	0	0	114.3	L184 F209 E213	L184-S211 CarbonylContact O-C 3.58Å; L184-S211 WeakPolarHBondContact O-CB 3.44Å; L184-S211 PolarHBondContact O-OG 3.01Å; F209-S211 PolarHBondContact O-N 2.77Å; S211-E213 PolarHBondContact O-N 2.88Å
212	L	98	Very high	95.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.169	C	C	.	.			trans	-68.4	134.5	-174.1	-61.3	168.3	0	0	0	111.2	L184 F206 F209 I215 N237 N239 L240	L184-L212 HydrophobicContact CB-CD2 4.45Å; L184-L212 HydrophobicContact CD2-CD2 4.03Å; L184-L212 HydrophobicContact CG-CD2 3.87Å; F206-L212 HydrophobicContact CB-CD1 3.77Å; F206-L212 HydrophobicContact CD1-CD1 3.74Å; F206-L212 HydrophobicContact CE1-CD1 4.49Å; F206-L212 HydrophobicContact CG-CD1 3.76Å; F209-L212 HydrophobicContact CB-CD1 4.3Å; F209-L212 HydrophobicContact CB-CG 4.12Å; L212-I215 HydrophobicContact CB-CD1 4.25Å; L212-I215 HydrophobicContact CB-CG1 4.42Å; L212-I215 HydrophobicContact CD1-CD1 3.73Å; L212-I215 HydrophobicContact CD1-CG1 4.32Å; L212-N237 HydrophobicContact CB-CB 4.16Å; L212-N237 WeakPolarHBondContact CB-OD1 3.37Å; L212-N237 PolarHBondContact N-OD1 2.96Å; L212-N239 CarbonylContact O-C 3.55Å; L212-L240 HydrophobicContact CB-CD2 4.13Å; L212-L240 PolarHBondContact O-N 3.06Å
213	E	97	Very high	95.5	Very high	68 Å²	68	31.4 Å²	31.4	32%	0.318	18%	0.183	S	C	.	.			trans	-116.4	-28.6	178.2	-62.8	-176.9	-173	0	0	111.8	R185 S211 N239 R241 V242	R185-E213 HydrophobicContact CB-CB 4.21Å; R185-E213 HydrophobicContact CB-CG 3.98Å; R185-E213 WeakPolarHBondContact O-CA 3.42Å; R185-E213 PolarHBondContact O-N 3.26Å; S211-E213 PolarHBondContact O-N 2.88Å; E213-N239 WeakPolarHBondContact CA-O 3.36Å; E213-N239 HydrophobicContact CG-CB 4.14Å; E213-R241 WeakPolarHBondContact O-CA 3.32Å; E213-R241 PolarHBondContact O-N 3.2Å; E213-V242 PolarHBondContact O-N 3.39Å
214	E	96.4	Very high	95.2	Very high	20 Å²	20	35.4 Å²	35.4	9%	0.093	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	123.3	-177.4	173.7	171.5	173.8	0	0	111	R185 R186 F187 I188 V242	R185-E214 PolarHBondContact O-N 3.25Å; R186-E214 WeakPolarHBondContact CA-O 3.48Å; R186-E214 HydrophobicContact CB-CB 4.38Å; R186-E214 HydrophobicContact CG-CB 4.17Å; R186-E214 HydrophobicContact CG-CG 4.07Å; R186-E214 IonicContact CZ-OE2 3.63Å; R186-E214 VanDerWaalsContact CZ-OE2 3.23Å; R186-E214 IonicContact NE-OE1 3.85Å; R186-E214 IonicContact NE-OE2 2.84Å; R186-E214 PolarHBondContact NE-OE2 3.19Å; R186-E214 IonicContact NH2-OE2 3.54Å; R186-E214 PolarHBondContact NH2-OE2 2.92Å; F187-E214 PolarHBondContact N-O 3.04Å; I188-E214 HydrophobicContact CD1-CG 3.95Å; E214-V242 WeakPolarHBondContact CA-O 3.37Å; E214-V242 HydrophobicContact CB-CB 4.07Å; E214-V242 HydrophobicContact CG-CB 3.8Å; E214-V242 HydrophobicContact CG-CG1 4.05Å; E214-V242 HydrophobicContact CG-CG2 4.47Å
215	I	97.2	Very high	95.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	118.6	175.1	-61.7	171.3	0	0	0	108.6	F187 F206 L212 M217 F234 L240 V242 I243 D244	F187-I215 WeakPolarHBondContact O-CA 3.26Å; F206-I215 HydrophobicContact CD2-CD1 4.05Å; F206-I215 HydrophobicContact CE2-CD1 4.32Å; F206-I215 HydrophobicContact CE2-CG2 4.16Å; L212-I215 HydrophobicContact CB-CD1 4.25Å; L212-I215 HydrophobicContact CB-CG1 4.42Å; L212-I215 HydrophobicContact CD1-CD1 3.73Å; L212-I215 HydrophobicContact CD1-CG1 4.32Å; I215-M217 HydrophobicContact CG2-CG 3.82Å; I215-M217 HydrophobicContact CG2-SD 3.93Å; I215-F234 HydrophobicContact CB-CE1 4.29Å; I215-F234 HydrophobicContact CB-CZ 4.49Å; I215-F234 HydrophobicContact CD1-CD1 3.71Å; I215-F234 HydrophobicContact CD1-CE1 3.41Å; I215-F234 VanDerWaalsContact CD1-CE1 3.41Å; I215-F234 HydrophobicContact CD1-CZ 4.37Å; I215-F234 HydrophobicContact CG1-CE1 4.46Å; I215-F234 HydrophobicContact CG2-CE1 3.97Å; I215-F234 HydrophobicContact CG2-CZ 4.06Å; I215-L240 HydrophobicContact CD1-CD1 4.47Å; I215-L240 HydrophobicContact CD1-CD2 3.86Å; I215-L240 HydrophobicContact CG1-CD2 3.94Å; I215-V242 PolarHBondContact N-O 3.03Å; I215-I243 WeakPolarHBondContact O-CA 3.43Å; I215-D244 PolarHBondContact O-N 3.18Å
216	C	95.4	Very high	95.1	Very high	6 Å²	6	33.2 Å²	33.2	4%	0.041	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	113.4	177.7	-58.5	0	0	0	0	109.7	F187 I188 V189 D244	F187-C216 PolarHBondContact O-N 3.19Å; F187-C216 VanDerWaalsContact O-N 3.1Å; I188-C216 CarbonylContact C-O 3.51Å; I188-C216 WeakPolarHBondContact CA-O 3.33Å; I188-C216 HydrophobicContact CD1-CB 3.53Å; I188-C216 VanDerWaalsContact CD1-SG 3.58Å; I188-C216 HydrophobicContact CG2-CB 4.05Å; V189-C216 PolarHBondContact N-O 2.88Å; C216-D244 CarbonylContact C-O 3.28Å; C216-D244 WeakPolarHBondContact CA-O 3.38Å; C216-D244 HydrophobicContact CB-CB 3.93Å
217	M	97	Very high	95.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.189	C	C	.	.			trans	-128.8	43.5	-179.7	-47.7	179.2	61.4	0	0	112.6	V189 L194 A199 L202 F206 I215 N220 I222 L230 D244 L245 N248	V189-M217 HydrophobicContact CG1-CB 4.28Å; V189-M217 HydrophobicContact CG1-CE 3.9Å; V189-M217 HydrophobicContact CG1-CG 3.66Å; V189-M217 HydrophobicContact CG1-SD 4.32Å; L194-M217 HydrophobicContact CD1-CE 3.53Å; A199-M217 HydrophobicContact CB-CE 4.42Å; L202-M217 HydrophobicContact CD1-CE 3.79Å; F206-M217 HydrophobicContact CE2-SD 4.08Å; I215-M217 HydrophobicContact CG2-CG 3.82Å; I215-M217 HydrophobicContact CG2-SD 3.93Å; M217-N220 VanDerWaalsContact C-ND2 3.31Å; M217-N220 PolarHBondContact O-ND2 3.2Å; M217-I222 HydrophobicContact CB-CD1 4.42Å; M217-I222 HydrophobicContact CE-CD1 3.99Å; M217-L230 HydrophobicContact CE-CD1 4.42Å; M217-L230 HydrophobicContact CE-CD2 4.31Å; M217-L230 HydrophobicContact SD-CD1 4.04Å; M217-L230 HydrophobicContact SD-CD2 3.7Å; M217-D244 PolarHBondContact N-O 3.3Å; M217-L245 HydrophobicContact CB-CD2 3.79Å; M217-L245 HydrophobicContact CG-CD2 4.23Å; M217-L245 HydrophobicContact SD-CD2 4.43Å; M217-N248 PolarHBondContact O-ND2 2.98Å; M217-N248 VanDerWaalsContact O-ND2 3.09Å
218	P	89.9	Confident	95.1	Very high	28 Å²	28	32.2 Å²	32.2	18%	0.182	18%	0.18	C	C	.	.			trans	-65.7	152.7	-177	30.2	-37.3	0	0	0	111.9	G190 R191 N220 C246	G190-P218 CarbonylContact C-O 3.08Å; G190-P218 WeakPolarHBondContact CA-O 3.41Å; R191-P218 PolarHBondContact N-O 3.16Å; P218-N220 PolarHBondContact O-N 3.38Å; P218-N220 PolarHBondContact O-ND2 3.18Å; P218-C246 CarbonylContact C-O 3.51Å; P218-C246 WeakPolarHBondContact CA-O 3.39Å; P218-C246 HydrophobicContact CB-CB 4.07Å; P218-C246 WeakPolarHBondContact CB-O 3.34Å
219	Q	87.1	Confident	95.2	Very high	86 Å²	86	28.6 Å²	28.6	40%	0.402	17%	0.168	S	C	.	.	S	Bend	trans	57.2	48.1	171.4	-60.9	-167.2	-34.2	0	0	114.2	R191 C246 D247	R191-Q219 WeakPolarHBondContact CA-O 3.48Å; R191-Q219 HydrophobicContact CG-CB 3.86Å; Q219-C246 PolarHBondContact N-O 2.83Å; Q219-D247 VanDerWaalsContact CA-O 3.32Å; Q219-D247 WeakPolarHBondContact CA-O 3.31Å; Q219-D247 HydrophobicContact CG-CB 3.66Å; Q219-D247 VanDerWaalsContact CG-OD2 3.29Å; Q219-D247 WeakPolarHBondContact CG-OD2 3.32Å; Q219-D247 PolarHBondContact N-O 2.77Å; Q219-D247 PolarHBondContact NE2-OD2 3.29Å
220	N	92.7	Very high	95.4	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.011	16%	0.164	C	C	.	.	S	Bend	trans	-110	-3.2	-179.9	-86.3	-59.5	0	0	0	114.3	V189 N192 R193 L194 E195 M217 P218 I222 N248	V189-N220 PolarHBondContact O-ND2 2.88Å; N192-N220 WeakPolarHBondContact CA-OD1 3.46Å; N192-N220 WeakPolarHBondContact CB-OD1 3.37Å; N192-N220 PolarHBondContact N-OD1 2.89Å; R193-N220 CarbonylContact C-O 3Å; R193-N220 WeakPolarHBondContact CA-O 3.32Å; R193-N220 PolarHBondContact N-OD1 3.22Å; L194-N220 HydrophobicContact CB-CB 4.19Å; L194-N220 HydrophobicContact CD1-CB 4.49Å; L194-N220 HydrophobicContact CG-CB 4.48Å; L194-N220 VanDerWaalsContact CG-OD1 3.32Å; L194-N220 WeakPolarHBondContact CG-OD1 3.14Å; L194-N220 PolarHBondContact N-O 3.29Å; L194-N220 PolarHBondContact N-OD1 3.2Å; E195-N220 PolarHBondContact N-O 3.15Å; M217-N220 VanDerWaalsContact C-ND2 3.31Å; M217-N220 PolarHBondContact O-ND2 3.2Å; P218-N220 PolarHBondContact O-N 3.38Å; P218-N220 PolarHBondContact O-ND2 3.18Å; N220-I222 HydrophobicContact CB-CD1 3.7Å; N220-I222 HydrophobicContact CB-CG1 3.62Å; N220-I222 PolarHBondContact O-N 3.45Å; N220-N248 PolarHBondContact N-OD1 3.19Å
221	G	89.3	Confident	95.6	Very high	45 Å²	45	26.5 Å²	26.5	46%	0.464	15%	0.151	S	C	.	.			trans	65.4	28.7	-177	0	0	0	0	0	112.5	N248	G221-N248 PolarHBondContact N-OD1 3.06Å; G221-N248 VanDerWaalsContact N-OD1 3.15Å
222	I	95.2	Very high	95.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.174	C	C	.	.			trans	-76.5	130.6	179	-52.7	169.1	0	0	0	107.7	A199 M217 N220 I227 L230 N248 T249	A199-I222 HydrophobicContact CB-CB 4.45Å; A199-I222 HydrophobicContact CB-CD1 3.72Å; A199-I222 HydrophobicContact CB-CG1 3.86Å; A199-I222 HydrophobicContact CB-CG2 3.74Å; M217-I222 HydrophobicContact CB-CD1 4.42Å; M217-I222 HydrophobicContact CE-CD1 3.99Å; N220-I222 HydrophobicContact CB-CD1 3.7Å; N220-I222 HydrophobicContact CB-CG1 3.62Å; N220-I222 PolarHBondContact O-N 3.45Å; I222-I227 HydrophobicContact CB-CD1 4.21Å; I222-I227 HydrophobicContact CG2-CD1 3.81Å; I222-I227 HydrophobicContact CG2-CG1 4.08Å; I222-L230 HydrophobicContact CD1-CD1 4.01Å; I222-L230 HydrophobicContact CG2-CD1 4.43Å; I222-N248 HydrophobicContact CB-CB 4.28Å; I222-N248 WeakPolarHBondContact CB-OD1 3.49Å; I222-N248 WeakPolarHBondContact CG1-OD1 3.47Å; I222-N248 PolarHBondContact N-OD1 2.89Å; I222-T249 PolarHBondContact O-N 3.1Å
223	T	95.3	Very high	95.7	Very high	49 Å²	49	32.7 Å²	32.7	30%	0.301	18%	0.175	S	C	.	.			trans	-106.3	-176.7	177.2	72.2	0	0	0	0	111.5	N196 E225 G226 I227 T249	N196-T223 PolarHBondContact ND2-OG1 2.85Å; N196-T223 PolarHBondContact OD1-N 2.93Å; N196-T223 PolarHBondContact OD1-O 3.35Å; N196-T223 PolarHBondContact OD1-OG1 3.43Å; T223-E225 PolarHBondContact O-N 3.24Å; T223-E225 PolarHBondContact OG1-OE2 3.49Å; T223-G226 PolarHBondContact O-N 3.44Å; T223-I227 WeakPolarHBondContact O-CG1 3.44Å; T223-I227 PolarHBondContact O-N 3.31Å; T223-T249 CarbonylContact C-O 3.41Å; T223-T249 WeakPolarHBondContact CA-O 3.4Å
224	K	94	Very high	95.8	Very high	89 Å²	89	29.4 Å²	29.4	39%	0.387	16%	0.16	S	C	.	.	H	α-helix	trans	-47.1	-36.4	-172.6	69.6	-175.3	178.2	178.6	0	115.3	A228 T249 F250 S251 Y253	K224-A228 WeakPolarHBondContact O-CB 3.39Å; K224-A228 PolarHBondContact O-N 3.12Å; K224-T249 PolarHBondContact N-O 3.25Å; K224-F250 WeakPolarHBondContact CB-O 3.24Å; K224-S251 WeakPolarHBondContact CB-OG 3.41Å; K224-Y253 HydrophobicContact CB-CD1 4.1Å; K224-Y253 HydrophobicContact CD-CD1 4.49Å; K224-Y253 HydrophobicContact CG-CD1 4.28Å
225	E	95.7	Very high	95.8	Very high	82 Å²	82	30.5 Å²	30.5	38%	0.383	17%	0.169	S	C	.	.	H	α-helix	trans	-70.4	-44.2	178.8	-59.1	75.7	-166.4	0	0	112.3	N196 T223 S229	N196-E225 PolarHBondContact ND2-OE2 2.97Å; N196-E225 VanDerWaalsContact ND2-OE2 3.15Å; T223-E225 PolarHBondContact O-N 3.24Å; T223-E225 PolarHBondContact OG1-OE2 3.49Å; E225-S229 PolarHBondContact O-N 2.96Å; E225-S229 PolarHBondContact O-OG 2.77Å
226	G	98.3	Very high	95.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-68.5	-39.5	175.2	0	0	0	0	0	111.9	N196 T223 S229 L230	N196-G226 PolarHBondContact OD1-N 2.89Å; T223-G226 PolarHBondContact O-N 3.44Å; G226-S229 PolarHBondContact O-N 3.34Å; G226-L230 WeakPolarHBondContact O-CG 3.33Å; G226-L230 PolarHBondContact O-N 3.01Å
227	I	98.5	Very high	96	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.2	-45.4	175	-63.9	-56.1	0	0	0	111.5	I222 T223 S229 L230 A231 L245 N248 F250 M258	I222-I227 HydrophobicContact CB-CD1 4.21Å; I222-I227 HydrophobicContact CG2-CD1 3.81Å; I222-I227 HydrophobicContact CG2-CG1 4.08Å; T223-I227 WeakPolarHBondContact O-CG1 3.44Å; T223-I227 PolarHBondContact O-N 3.31Å; I227-S229 VanDerWaalsContact C-N 3.27Å; I227-S229 PolarHBondContact O-N 3.1Å; I227-L230 HydrophobicContact CD1-CD1 4.45Å; I227-L230 PolarHBondContact O-N 2.94Å; I227-A231 WeakPolarHBondContact O-CB 3.18Å; I227-A231 PolarHBondContact O-N 2.98Å; I227-L245 HydrophobicContact CD1-CD1 4.13Å; I227-N248 HydrophobicContact CD1-CB 4.36Å; I227-F250 HydrophobicContact CD1-CD2 3.74Å; I227-F250 HydrophobicContact CD1-CE2 3.38Å; I227-F250 HydrophobicContact CD1-CZ 3.91Å; I227-F250 HydrophobicContact CG1-CD2 3.68Å; I227-F250 HydrophobicContact CG1-CE2 3.88Å; I227-F250 HydrophobicContact CG1-CG 4.1Å; I227-F250 HydrophobicContact CG1-CZ 4.46Å; I227-F250 HydrophobicContact CG2-CB 4.47Å; I227-F250 HydrophobicContact CG2-CD1 3.58Å; I227-F250 HydrophobicContact CG2-CD2 4.11Å; I227-F250 HydrophobicContact CG2-CE1 3.7Å; I227-F250 HydrophobicContact CG2-CE2 4.21Å; I227-F250 HydrophobicContact CG2-CG 3.78Å; I227-F250 HydrophobicContact CG2-CZ 4.02Å; I227-M258 HydrophobicContact CG2-CE 4.12Å
228	A	98.5	Very high	95.9	Very high	16 Å²	16	39.4 Å²	39.4	13%	0.132	22%	0.215	C	C	.	.	H	α-helix	trans	-61.2	-37.6	176.8	0	0	0	0	0	112.2	K224 K232 Y253 K257	K224-A228 WeakPolarHBondContact O-CB 3.39Å; K224-A228 PolarHBondContact O-N 3.12Å; A228-K232 PolarHBondContact O-N 3.42Å; A228-K232 VanDerWaalsContact O-N 3.11Å; A228-Y253 HydrophobicContact CB-CD1 4.47Å; A228-Y253 HydrophobicContact CB-CE1 3.73Å; A228-K257 HydrophobicContact CB-CB 4.07Å; A228-K257 HydrophobicContact CB-CG 3.95Å
229	S	98.7	Very high	96.2	Very high	38 Å²	38	40.5 Å²	40.5	27%	0.266	22%	0.219	S	C	.	.	H	α-helix	trans	-67.6	-44.9	176	-59.5	0	0	0	0	111.7	A203 E225 G226 I227 A231 K232 A233	A203-S229 WeakPolarHBondContact CB-O 3.07Å; E225-S229 PolarHBondContact O-N 2.96Å; E225-S229 PolarHBondContact O-OG 2.77Å; G226-S229 PolarHBondContact O-N 3.34Å; I227-S229 VanDerWaalsContact C-N 3.27Å; I227-S229 PolarHBondContact O-N 3.1Å; S229-A231 PolarHBondContact O-N 3.37Å; S229-K232 WeakPolarHBondContact O-CB 3.45Å; S229-K232 PolarHBondContact O-N 3.23Å; S229-A233 PolarHBondContact O-N 3.12Å; S229-A233 VanDerWaalsContact O-N 3.09Å
230	L	98.8	Very high	96.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.4	-44.3	174.1	-74.1	170.6	0	0	0	111.8	A199 A203 F206 M217 I222 G226 I227 K232 A233 F234 L245	A199-L230 HydrophobicContact CB-CD1 4.18Å; A199-L230 HydrophobicContact CB-CG 4.45Å; A203-L230 HydrophobicContact CB-CD2 4.02Å; A203-L230 HydrophobicContact CB-CG 4.38Å; F206-L230 HydrophobicContact CD2-CD2 4.3Å; F206-L230 HydrophobicContact CE2-CD2 4.36Å; M217-L230 HydrophobicContact CE-CD1 4.42Å; M217-L230 HydrophobicContact CE-CD2 4.31Å; M217-L230 HydrophobicContact SD-CD1 4.04Å; M217-L230 HydrophobicContact SD-CD2 3.7Å; I222-L230 HydrophobicContact CD1-CD1 4.01Å; I222-L230 HydrophobicContact CG2-CD1 4.43Å; G226-L230 WeakPolarHBondContact O-CG 3.33Å; G226-L230 PolarHBondContact O-N 3.01Å; I227-L230 HydrophobicContact CD1-CD1 4.45Å; I227-L230 PolarHBondContact O-N 2.94Å; L230-K232 VanDerWaalsContact C-N 3.32Å; L230-K232 PolarHBondContact O-N 2.91Å; L230-A233 CarbonylContact O-C 3.59Å; L230-A233 WeakPolarHBondContact O-CA 3.47Å; L230-A233 WeakPolarHBondContact O-CB 3.38Å; L230-A233 PolarHBondContact O-N 2.86Å; L230-F234 HydrophobicContact CB-CE1 4.24Å; L230-F234 HydrophobicContact CB-CE2 4.33Å; L230-F234 HydrophobicContact CB-CZ 3.99Å; L230-F234 HydrophobicContact CD2-CE1 4.12Å; L230-F234 HydrophobicContact CD2-CZ 4.27Å; L230-F234 VanDerWaalsContact O-CD1 3.24Å; L230-F234 WeakPolarHBondContact O-CD1 3.14Å; L230-F234 WeakPolarHBondContact O-CG 3.45Å; L230-F234 PolarHBondContact O-N 2.96Å; L230-L245 HydrophobicContact CD1-CD1 4.49Å; L230-L245 HydrophobicContact CD1-CD2 4.14Å
231	A	98.7	Very high	96.8	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-55.5	-47.3	175.9	0	0	0	0	0	111.4	I227 S229 A233 F234 S235 K257 M258 A261	I227-A231 WeakPolarHBondContact O-CB 3.18Å; I227-A231 PolarHBondContact O-N 2.98Å; S229-A231 PolarHBondContact O-N 3.37Å; A231-A233 VanDerWaalsContact C-N 3.3Å; A231-A233 PolarHBondContact O-N 3.41Å; A231-F234 PolarHBondContact O-N 3.21Å; A231-S235 PolarHBondContact O-N 2.83Å; A231-S235 VanDerWaalsContact O-N 3.1Å; A231-K257 HydrophobicContact CB-CB 4.31Å; A231-K257 WeakPolarHBondContact CB-O 3.4Å; A231-M258 HydrophobicContact CB-CB 4.5Å; A231-M258 HydrophobicContact CB-CE 4.03Å; A231-M258 HydrophobicContact CB-SD 4.17Å; A231-A261 HydrophobicContact CB-CB 3.75Å; A231-A261 WeakPolarHBondContact O-CB 3.44Å
232	K	98.4	Very high	97	Very high	155 Å²	155	39.6 Å²	39.6	67%	0.674	20%	0.199	S	C	*	.	H	α-helix	trans	-57.4	-42.9	174.9	-174.2	-179	178.8	-176.8	0	111.8	A228 S229 L230 S235	A228-K232 PolarHBondContact O-N 3.42Å; A228-K232 VanDerWaalsContact O-N 3.11Å; S229-K232 WeakPolarHBondContact O-CB 3.45Å; S229-K232 PolarHBondContact O-N 3.23Å; L230-K232 VanDerWaalsContact C-N 3.32Å; L230-K232 PolarHBondContact O-N 2.91Å; K232-S235 PolarHBondContact O-OG 3.07Å
233	A	98.5	Very high	97	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-67.2	-40	177.7	0	0	0	0	0	112.9	A203 F206 A207 S229 L230 A231 S235 K236 N237	A203-A233 HydrophobicContact CB-CB 3.99Å; A203-A233 WeakPolarHBondContact O-CB 3.49Å; F206-A233 HydrophobicContact CB-CB 3.95Å; A207-A233 HydrophobicContact CB-CB 4.21Å; S229-A233 PolarHBondContact O-N 3.12Å; S229-A233 VanDerWaalsContact O-N 3.09Å; L230-A233 CarbonylContact O-C 3.59Å; L230-A233 WeakPolarHBondContact O-CA 3.47Å; L230-A233 WeakPolarHBondContact O-CB 3.38Å; L230-A233 PolarHBondContact O-N 2.86Å; A231-A233 VanDerWaalsContact C-N 3.3Å; A231-A233 PolarHBondContact O-N 3.41Å; A233-S235 VanDerWaalsContact C-N 3.32Å; A233-S235 PolarHBondContact O-N 3.43Å; A233-K236 WeakPolarHBondContact O-CB 3.4Å; A233-K236 PolarHBondContact O-N 2.81Å; A233-N237 PolarHBondContact O-ND2 3Å
234	F	98.5	Very high	96.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.5	-40.1	179	-64.2	-8.1	0	0	0	111.4	I215 L230 A231 K236 N237 L240 I243 L245 M258 L265	I215-F234 HydrophobicContact CB-CE1 4.29Å; I215-F234 HydrophobicContact CB-CZ 4.49Å; I215-F234 HydrophobicContact CD1-CD1 3.71Å; I215-F234 HydrophobicContact CD1-CE1 3.41Å; I215-F234 VanDerWaalsContact CD1-CE1 3.41Å; I215-F234 HydrophobicContact CD1-CZ 4.37Å; I215-F234 HydrophobicContact CG1-CE1 4.46Å; I215-F234 HydrophobicContact CG2-CE1 3.97Å; I215-F234 HydrophobicContact CG2-CZ 4.06Å; L230-F234 HydrophobicContact CB-CE1 4.24Å; L230-F234 HydrophobicContact CB-CE2 4.33Å; L230-F234 HydrophobicContact CB-CZ 3.99Å; L230-F234 HydrophobicContact CD2-CE1 4.12Å; L230-F234 HydrophobicContact CD2-CZ 4.27Å; L230-F234 VanDerWaalsContact O-CD1 3.24Å; L230-F234 WeakPolarHBondContact O-CD1 3.14Å; L230-F234 WeakPolarHBondContact O-CG 3.45Å; L230-F234 PolarHBondContact O-N 2.96Å; A231-F234 PolarHBondContact O-N 3.21Å; F234-K236 PolarHBondContact O-N 2.78Å; F234-N237 PolarHBondContact O-N 2.95Å; F234-L240 HydrophobicContact CB-CD1 3.68Å; F234-L240 HydrophobicContact CD1-CD1 4.09Å; F234-L240 HydrophobicContact CG-CD1 3.95Å; F234-I243 HydrophobicContact CD2-CD1 3.79Å; F234-I243 HydrophobicContact CD2-CG1 4.37Å; F234-I243 HydrophobicContact CD2-CG2 4.26Å; F234-I243 HydrophobicContact CE2-CD1 4.21Å; F234-I243 HydrophobicContact CE2-CG1 4.37Å; F234-I243 HydrophobicContact CE2-CG2 3.62Å; F234-I243 HydrophobicContact CG-CD1 4.37Å; F234-I243 HydrophobicContact CZ-CG2 4.3Å; F234-L245 HydrophobicContact CE2-CD1 3.83Å; F234-L245 HydrophobicContact CE2-CG 4.48Å; F234-L245 HydrophobicContact CZ-CD1 4.23Å; F234-L245 HydrophobicContact CZ-CD2 4.41Å; F234-M258 HydrophobicContact CD2-CE 4Å; F234-M258 HydrophobicContact CD2-SD 3.98Å; F234-M258 HydrophobicContact CE2-CE 3.9Å; F234-M258 HydrophobicContact CE2-SD 4.37Å; F234-L265 HydrophobicContact CB-CD1 4.45Å; F234-L265 WeakPolarHBondContact O-CD2 3.19Å
235	S	97.1	Very high	97	Very high	43 Å²	43	33.6 Å²	33.6	30%	0.301	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-16.6	175.4	78.4	0	0	0	0	114.5	A231 K232 A233	A231-S235 PolarHBondContact O-N 2.83Å; A231-S235 VanDerWaalsContact O-N 3.1Å; K232-S235 PolarHBondContact O-OG 3.07Å; A233-S235 VanDerWaalsContact C-N 3.32Å; A233-S235 PolarHBondContact O-N 3.43Å
236	K	97.4	Very high	96.5	Very high	121 Å²	121	30.3 Å²	30.3	53%	0.526	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-1.9	176.4	-58.1	-57.3	-176.2	-175.2	0	113.9	A207 A233 F234 P238	A207-K236 HydrophobicContact CB-CB 4.5Å; A207-K236 HydrophobicContact CB-CG 4.27Å; A233-K236 WeakPolarHBondContact O-CB 3.4Å; A233-K236 PolarHBondContact O-N 2.81Å; F234-K236 PolarHBondContact O-N 2.78Å; K236-P238 VanDerWaalsContact O-CD 3.32Å; K236-P238 WeakPolarHBondContact O-CD 3.45Å
237	N	97.7	Very high	95.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.			trans	-117.9	79.6	-179.9	-69.9	-83.3	0	0	0	109.7	F206 G210 L212 A233 F234 N239 L240 L265	F206-N237 PolarHBondContact O-ND2 2.97Å; G210-N237 VanDerWaalsContact C-OD1 3.28Å; G210-N237 WeakPolarHBondContact CA-OD1 3.35Å; G210-N237 PolarHBondContact N-OD1 2.87Å; L212-N237 HydrophobicContact CB-CB 4.16Å; L212-N237 WeakPolarHBondContact CB-OD1 3.37Å; L212-N237 PolarHBondContact N-OD1 2.96Å; A233-N237 PolarHBondContact O-ND2 3Å; F234-N237 PolarHBondContact O-N 2.95Å; N237-N239 PolarHBondContact O-N 2.77Å; N237-L240 HydrophobicContact CB-CD1 3.8Å; N237-L240 HydrophobicContact CB-CG 3.77Å; N237-L240 WeakPolarHBondContact O-CG 3.4Å; N237-L240 PolarHBondContact O-N 2.86Å; N237-L240 VanDerWaalsContact O-N 3.1Å; N237-L265 WeakPolarHBondContact O-CD2 3.14Å
238	P	95.7	Very high	95.5	Very high	72 Å²	72	33.5 Å²	33.5	47%	0.468	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-8.4	-174.2	29.4	-37.4	0	0	0	113.9	K236	K236-P238 VanDerWaalsContact O-CD 3.32Å; K236-P238 WeakPolarHBondContact O-CD 3.45Å
239	N	96.1	Very high	95	Very high	50 Å²	50	35.5 Å²	35.5	27%	0.267	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	1.2	177.3	-61.6	-53.5	0	0	0	113.7	L212 E213 N237 R241 K267	L212-N239 CarbonylContact O-C 3.55Å; E213-N239 WeakPolarHBondContact CA-O 3.36Å; E213-N239 HydrophobicContact CG-CB 4.14Å; N237-N239 PolarHBondContact O-N 2.77Å; N239-R241 WeakPolarHBondContact O-CG 3.45Å; N239-R241 PolarHBondContact O-N 2.83Å; N239-K267 PolarHBondContact OD1-NZ 3.23Å
240	L	97.6	Very high	94.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.			trans	-57.4	124.7	177.5	-78.5	171.2	0	0	0	111.2	L212 I215 F234 N237 I243 L265 K267 L268	L212-L240 HydrophobicContact CB-CD2 4.13Å; L212-L240 PolarHBondContact O-N 3.06Å; I215-L240 HydrophobicContact CD1-CD1 4.47Å; I215-L240 HydrophobicContact CD1-CD2 3.86Å; I215-L240 HydrophobicContact CG1-CD2 3.94Å; F234-L240 HydrophobicContact CB-CD1 3.68Å; F234-L240 HydrophobicContact CD1-CD1 4.09Å; F234-L240 HydrophobicContact CG-CD1 3.95Å; N237-L240 HydrophobicContact CB-CD1 3.8Å; N237-L240 HydrophobicContact CB-CG 3.77Å; N237-L240 WeakPolarHBondContact O-CG 3.4Å; N237-L240 PolarHBondContact O-N 2.86Å; N237-L240 VanDerWaalsContact O-N 3.1Å; L240-I243 HydrophobicContact CD1-CD1 4.25Å; L240-I243 HydrophobicContact CD1-CG1 4.44Å; L240-L265 HydrophobicContact CB-CD1 4.34Å; L240-L265 HydrophobicContact CB-CD2 4.45Å; L240-L265 HydrophobicContact CD1-CD1 4.2Å; L240-K267 CarbonylContact O-C 3.43Å; L240-K267 VanDerWaalsContact O-C 3.3Å; L240-L268 WeakPolarHBondContact O-CA 3.39Å; L240-L268 PolarHBondContact O-N 3.48Å
241	R	94.9	Very high	94	Very high	101 Å²	101	35.3 Å²	35.3	38%	0.381	18%	0.182	S	C	.	.			trans	-113	-31.3	177.6	-65.8	174	69.4	-145.8	-7.3	111.4	E213 N239 K267 E269 I270	E213-R241 WeakPolarHBondContact O-CA 3.32Å; E213-R241 PolarHBondContact O-N 3.2Å; N239-R241 WeakPolarHBondContact O-CG 3.45Å; N239-R241 PolarHBondContact O-N 2.83Å; R241-K267 WeakPolarHBondContact CA-O 3.41Å; R241-K267 HydrophobicContact CG-CB 4.29Å; R241-K267 WeakPolarHBondContact CG-O 3.13Å; R241-E269 IonicContact CZ-OE1 3.58Å; R241-E269 IonicContact NE-OE1 2.87Å; R241-E269 PolarHBondContact NE-OE1 2.86Å; R241-E269 VanDerWaalsContact NH2-CD 3.25Å; R241-E269 IonicContact NH2-OE1 3.6Å; R241-E269 PolarHBondContact NH2-OE1 3Å; R241-E269 IonicContact NH2-OE2 2.74Å; R241-E269 PolarHBondContact NH2-OE2 3.44Å; R241-E269 VanDerWaalsContact NH2-OE2 3.1Å; R241-E269 WeakPolarHBondContact O-CA 3.46Å; R241-E269 PolarHBondContact O-N 3.29Å; R241-I270 PolarHBondContact O-N 3.3Å
242	V	93	Very high	93.5	Very high	13 Å²	13	40.3 Å²	40.3	8%	0.079	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	125.3	-177.7	-178.4	0	0	0	0	110	L8 E213 E214 I215 I270	L8-V242 HydrophobicContact CD2-CG1 4.14Å; E213-V242 PolarHBondContact O-N 3.39Å; E214-V242 WeakPolarHBondContact CA-O 3.37Å; E214-V242 HydrophobicContact CB-CB 4.07Å; E214-V242 HydrophobicContact CG-CB 3.8Å; E214-V242 HydrophobicContact CG-CG1 4.05Å; E214-V242 HydrophobicContact CG-CG2 4.47Å; I215-V242 PolarHBondContact N-O 3.03Å; V242-I270 WeakPolarHBondContact CA-O 3.45Å; V242-I270 HydrophobicContact CB-CB 4.47Å; V242-I270 HydrophobicContact CG1-CB 4.18Å; V242-I270 HydrophobicContact CG1-CG2 4.37Å; V242-I270 HydrophobicContact CG2-CB 4.13Å; V242-I270 HydrophobicContact CG2-CD1 4.02Å; V242-I270 HydrophobicContact CG2-CG1 4.35Å
243	I	95.9	Very high	93.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	117.8	170	-62.6	170	0	0	0	107.6	I215 F234 L240 L245 L262 L265 L268 I270 L271 N272 F273	I215-I243 WeakPolarHBondContact O-CA 3.43Å; F234-I243 HydrophobicContact CD2-CD1 3.79Å; F234-I243 HydrophobicContact CD2-CG1 4.37Å; F234-I243 HydrophobicContact CD2-CG2 4.26Å; F234-I243 HydrophobicContact CE2-CD1 4.21Å; F234-I243 HydrophobicContact CE2-CG1 4.37Å; F234-I243 HydrophobicContact CE2-CG2 3.62Å; F234-I243 HydrophobicContact CG-CD1 4.37Å; F234-I243 HydrophobicContact CZ-CG2 4.3Å; L240-I243 HydrophobicContact CD1-CD1 4.25Å; L240-I243 HydrophobicContact CD1-CG1 4.44Å; I243-L245 HydrophobicContact CG2-CD1 4.31Å; I243-L245 HydrophobicContact CG2-CG 4.07Å; I243-L262 HydrophobicContact CD1-CD2 4.22Å; I243-L265 HydrophobicContact CD1-CD1 3.77Å; I243-L268 HydrophobicContact CB-CD1 4.43Å; I243-L268 HydrophobicContact CD1-CD1 3.86Å; I243-L268 HydrophobicContact CG1-CD1 3.94Å; I243-I270 PolarHBondContact N-O 3.05Å; I243-L271 HydrophobicContact CB-CD1 3.69Å; I243-L271 HydrophobicContact CD1-CD1 4.36Å; I243-L271 HydrophobicContact CG2-CD1 3.93Å; I243-N272 PolarHBondContact O-N 2.89Å; I243-F273 HydrophobicContact CG2-CE1 3.9Å; I243-F273 HydrophobicContact CG2-CZ 4.39Å
244	D	93.3	Very high	93	Very high	13 Å²	13	38.3 Å²	38.3	7%	0.07	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	112.6	171	-172	-17.2	0	0	0	110.1	L8 I215 C216 M217 C246 N272	L8-D244 HydrophobicContact CD2-CB 4.18Å; I215-D244 PolarHBondContact O-N 3.18Å; C216-D244 CarbonylContact C-O 3.28Å; C216-D244 WeakPolarHBondContact CA-O 3.38Å; C216-D244 HydrophobicContact CB-CB 3.93Å; M217-D244 PolarHBondContact N-O 3.3Å; D244-C246 WeakPolarHBondContact OD1-CB 3.46Å; D244-C246 PolarHBondContact OD1-N 2.9Å; D244-N272 HydrophobicContact CB-CB 4.07Å; D244-N272 PolarHBondContact OD1-ND2 2.98Å; D244-N272 PolarHBondContact OD2-ND2 3.37Å
245	L	95.1	Very high	92.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.19	C	C	.	.			trans	-123	23.2	174.7	-63.6	-179.4	0	0	0	111.5	M217 I227 L230 F234 I243 N248 F250 M258 N272 F273 C276	M217-L245 HydrophobicContact CB-CD2 3.79Å; M217-L245 HydrophobicContact CG-CD2 4.23Å; M217-L245 HydrophobicContact SD-CD2 4.43Å; I227-L245 HydrophobicContact CD1-CD1 4.13Å; L230-L245 HydrophobicContact CD1-CD1 4.49Å; L230-L245 HydrophobicContact CD1-CD2 4.14Å; F234-L245 HydrophobicContact CE2-CD1 3.83Å; F234-L245 HydrophobicContact CE2-CG 4.48Å; F234-L245 HydrophobicContact CZ-CD1 4.23Å; F234-L245 HydrophobicContact CZ-CD2 4.41Å; I243-L245 HydrophobicContact CG2-CD1 4.31Å; I243-L245 HydrophobicContact CG2-CG 4.07Å; L245-N248 WeakPolarHBondContact O-CB 3.46Å; L245-N248 PolarHBondContact O-ND2 3.27Å; L245-F250 HydrophobicContact CB-CE2 4.01Å; L245-F250 HydrophobicContact CB-CZ 3.86Å; L245-F250 HydrophobicContact CD1-CE2 4.31Å; L245-F250 HydrophobicContact CD1-CZ 3.68Å; L245-F250 HydrophobicContact CG-CZ 4.43Å; L245-M258 HydrophobicContact CD1-CE 3.63Å; L245-N272 PolarHBondContact N-O 2.94Å; L245-F273 HydrophobicContact CB-CD1 4.09Å; L245-F273 HydrophobicContact CB-CE1 4.09Å; L245-F273 HydrophobicContact CD1-CE1 4.06Å; L245-F273 HydrophobicContact CG-CE1 4.25Å; L245-C276 PolarHBondContact O-SG 2.95Å
246	C	86.3	Confident	92.8	Very high	13 Å²	13	39 Å²	39	9%	0.088	19%	0.189	C	C	.	.			trans	-48.3	139.7	-178.6	166.3	0	0	0	0	112.5	P218 Q219 D244 N272 D274	P218-C246 CarbonylContact C-O 3.51Å; P218-C246 WeakPolarHBondContact CA-O 3.39Å; P218-C246 HydrophobicContact CB-CB 4.07Å; P218-C246 WeakPolarHBondContact CB-O 3.34Å; Q219-C246 PolarHBondContact N-O 2.83Å; D244-C246 WeakPolarHBondContact OD1-CB 3.46Å; D244-C246 PolarHBondContact OD1-N 2.9Å; C246-N272 PolarHBondContact N-O 3.34Å; C246-D274 CarbonylContact C-O 3.46Å; C246-D274 WeakPolarHBondContact CA-O 3.39Å; C246-D274 HydrophobicContact CB-CB 4.21Å; C246-D274 PolarHBondContact SG-O 2.84Å
247	D	84.9	Confident	92.9	Very high	63 Å²	63	35.8 Å²	35.8	34%	0.337	17%	0.174	S	C	.	.	S	Bend	trans	57.7	59.4	177	-169.9	-1.5	0	0	0	111.6	Q219 D274	Q219-D247 VanDerWaalsContact CA-O 3.32Å; Q219-D247 WeakPolarHBondContact CA-O 3.31Å; Q219-D247 HydrophobicContact CG-CB 3.66Å; Q219-D247 VanDerWaalsContact CG-OD2 3.29Å; Q219-D247 WeakPolarHBondContact CG-OD2 3.32Å; Q219-D247 PolarHBondContact N-O 2.77Å; Q219-D247 PolarHBondContact NE2-OD2 3.29Å; D247-D274 PolarHBondContact N-O 2.87Å
248	N	90.2	Very high	92.9	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.016	17%	0.174	C	C	.	.			trans	-138.9	172.4	168.9	-71.9	-68	0	0	0	108	M217 N220 G221 I222 I227 L245 F250 C276	M217-N248 PolarHBondContact O-ND2 2.98Å; M217-N248 VanDerWaalsContact O-ND2 3.09Å; N220-N248 PolarHBondContact N-OD1 3.19Å; G221-N248 PolarHBondContact N-OD1 3.06Å; G221-N248 VanDerWaalsContact N-OD1 3.15Å; I222-N248 HydrophobicContact CB-CB 4.28Å; I222-N248 WeakPolarHBondContact CB-OD1 3.49Å; I222-N248 WeakPolarHBondContact CG1-OD1 3.47Å; I222-N248 PolarHBondContact N-OD1 2.89Å; I227-N248 HydrophobicContact CD1-CB 4.36Å; L245-N248 WeakPolarHBondContact O-CB 3.46Å; L245-N248 PolarHBondContact O-ND2 3.27Å; N248-F250 HydrophobicContact CB-CE2 4.41Å; N248-C276 CarbonylContact O-C 3.21Å; N248-C276 WeakPolarHBondContact O-CA 3.44Å; N248-C276 VanDerWaalsContact O-O 3.12Å
249	T	88.4	Confident	92.9	Very high	58 Å²	58	32.8 Å²	32.8	36%	0.356	16%	0.156	S	C	.	.			trans	-117	99.5	-171.7	-57.2	0	0	0	0	112.2	I222 T223 K224 L277	I222-T249 PolarHBondContact O-N 3.1Å; T223-T249 CarbonylContact C-O 3.41Å; T223-T249 WeakPolarHBondContact CA-O 3.4Å; K224-T249 PolarHBondContact N-O 3.25Å; T249-L277 HydrophobicContact CG2-CB 4.3Å; T249-L277 HydrophobicContact CG2-CD1 3.96Å
250	F	91.3	Very high	93	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.166	C	C	.	.			trans	-80.1	-41.2	-176.1	-75.9	-139.4	0	0	0	111.8	K224 I227 L245 N248 G254 M258 F273 C276 L278	K224-F250 WeakPolarHBondContact CB-O 3.24Å; I227-F250 HydrophobicContact CD1-CD2 3.74Å; I227-F250 HydrophobicContact CD1-CE2 3.38Å; I227-F250 HydrophobicContact CD1-CZ 3.91Å; I227-F250 HydrophobicContact CG1-CD2 3.68Å; I227-F250 HydrophobicContact CG1-CE2 3.88Å; I227-F250 HydrophobicContact CG1-CG 4.1Å; I227-F250 HydrophobicContact CG1-CZ 4.46Å; I227-F250 HydrophobicContact CG2-CB 4.47Å; I227-F250 HydrophobicContact CG2-CD1 3.58Å; I227-F250 HydrophobicContact CG2-CD2 4.11Å; I227-F250 HydrophobicContact CG2-CE1 3.7Å; I227-F250 HydrophobicContact CG2-CE2 4.21Å; I227-F250 HydrophobicContact CG2-CG 3.78Å; I227-F250 HydrophobicContact CG2-CZ 4.02Å; L245-F250 HydrophobicContact CB-CE2 4.01Å; L245-F250 HydrophobicContact CB-CZ 3.86Å; L245-F250 HydrophobicContact CD1-CE2 4.31Å; L245-F250 HydrophobicContact CD1-CZ 3.68Å; L245-F250 HydrophobicContact CG-CZ 4.43Å; N248-F250 HydrophobicContact CB-CE2 4.41Å; F250-G254 VanDerWaalsContact O-CA 3.25Å; F250-G254 WeakPolarHBondContact O-CA 3.18Å; F250-G254 PolarHBondContact O-N 2.82Å; F250-M258 HydrophobicContact CD1-CB 4.47Å; F250-M258 HydrophobicContact CE1-CB 4.15Å; F250-M258 HydrophobicContact CE1-CE 4.05Å; F250-M258 HydrophobicContact CE1-CG 4.08Å; F250-M258 HydrophobicContact CZ-CE 4.32Å; F250-F273 HydrophobicContact CE1-CD1 4.16Å; F250-F273 HydrophobicContact CE1-CD2 4.28Å; F250-F273 HydrophobicContact CE1-CE1 4.03Å; F250-F273 HydrophobicContact CE1-CE2 4.11Å; F250-F273 HydrophobicContact CE1-CG 4.3Å; F250-F273 AromaticContact CE1-CZ 3.99Å; F250-F273 HydrophobicContact CE1-CZ 3.99Å; F250-F273 AromaticContact CZ-CD1 3.72Å; F250-F273 HydrophobicContact CZ-CD1 3.72Å; F250-F273 AromaticContact CZ-CE1 3.73Å; F250-F273 HydrophobicContact CZ-CE1 3.73Å; F250-F273 HydrophobicContact CZ-CG 4.21Å; F250-F273 HydrophobicContact CZ-CZ 4.17Å; F250-C276 HydrophobicContact CD2-CB 3.71Å; F250-C276 HydrophobicContact CE2-CB 3.83Å; F250-C276 HydrophobicContact CG-CB 4.28Å; F250-C276 HydrophobicContact CZ-CB 4.47Å; F250-C276 PolarHBondContact N-O 3.49Å; F250-L278 HydrophobicContact CB-CD2 3.75Å; F250-L278 HydrophobicContact CD1-CD2 3.45Å; F250-L278 VanDerWaalsContact CD1-CD2 3.45Å; F250-L278 HydrophobicContact CD2-CD2 4.26Å; F250-L278 HydrophobicContact CE1-CD2 4.07Å; F250-L278 HydrophobicContact CG-CD2 3.57Å
251	S	85.2	Confident	92.9	Very high	34 Å²	34	35.5 Å²	35.5	24%	0.238	17%	0.168	C	C	.	.	H	α-helix	trans	55	-174.3	-160.7	78.2	0	0	0	0	112.3	K224 Y253 S255 L277 L278	K224-S251 WeakPolarHBondContact CB-OG 3.41Å; S251-Y253 PolarHBondContact OG-N 3.15Å; S251-S255 WeakPolarHBondContact O-CB 3.27Å; S251-S255 PolarHBondContact O-N 3.27Å; S251-S255 PolarHBondContact O-OG 3.49Å; S251-L277 WeakPolarHBondContact CA-O 3.49Å; S251-L277 PolarHBondContact N-O 2.85Å; S251-L278 CarbonylContact C-O 3.38Å
252	Y	88.3	Confident	93	Very high	107 Å²	107	30.7 Å²	30.7	42%	0.42	15%	0.15	S	C	.	.	H	α-helix	trans	-58.7	-47.7	173.3	172.8	-103.7	0	0	0	111.8	G254 S255 E256 E281	Y252-G254 PolarHBondContact O-N 2.9Å; Y252-S255 WeakPolarHBondContact O-CB 3.45Å; Y252-S255 PolarHBondContact O-N 3.28Å; Y252-E256 PolarHBondContact O-N 3.07Å; Y252-E256 PolarHBondContact OH-OE1 2.87Å; Y252-E281 HydrophobicContact CD2-CB 3.6Å; Y252-E281 HydrophobicContact CE2-CB 3.73Å
253	Y	91.4	Very high	93	Very high	113 Å²	113	33.9 Å²	33.9	44%	0.443	17%	0.166	S	C	.	.	H	α-helix	trans	-61.4	-48	-174.6	176.8	-102.6	0	0	0	113.1	K224 A228 S251 S255 E256 K257	K224-Y253 HydrophobicContact CB-CD1 4.1Å; K224-Y253 HydrophobicContact CD-CD1 4.49Å; K224-Y253 HydrophobicContact CG-CD1 4.28Å; A228-Y253 HydrophobicContact CB-CD1 4.47Å; A228-Y253 HydrophobicContact CB-CE1 3.73Å; S251-Y253 PolarHBondContact OG-N 3.15Å; Y253-S255 VanDerWaalsContact C-N 3.29Å; Y253-S255 PolarHBondContact O-N 3.4Å; Y253-E256 PolarHBondContact O-N 2.81Å; Y253-K257 HydrophobicContact CE1-CG 4.46Å; Y253-K257 HydrophobicContact CE2-CG 4.37Å; Y253-K257 WeakPolarHBondContact O-CG 3.27Å; Y253-K257 PolarHBondContact O-N 2.93Å; Y253-K257 VanDerWaalsContact O-N 3.16Å
254	G	95.4	Very high	92.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.5	-36.1	177.1	0	0	0	0	0	112.1	F250 Y252 K257 M258	F250-G254 VanDerWaalsContact O-CA 3.25Å; F250-G254 WeakPolarHBondContact O-CA 3.18Å; F250-G254 PolarHBondContact O-N 2.82Å; Y252-G254 PolarHBondContact O-N 2.9Å; G254-K257 PolarHBondContact O-N 2.97Å; G254-M258 WeakPolarHBondContact O-CB 3.37Å; G254-M258 PolarHBondContact O-N 3.33Å
255	S	95.1	Very high	93	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-68.1	-40.8	177.4	-56.5	0	0	0	0	112.8	S251 Y252 Y253 M258 A259 L278	S251-S255 WeakPolarHBondContact O-CB 3.27Å; S251-S255 PolarHBondContact O-N 3.27Å; S251-S255 PolarHBondContact O-OG 3.49Å; Y252-S255 WeakPolarHBondContact O-CB 3.45Å; Y252-S255 PolarHBondContact O-N 3.28Å; Y253-S255 VanDerWaalsContact C-N 3.29Å; Y253-S255 PolarHBondContact O-N 3.4Å; S255-M258 PolarHBondContact O-N 3.28Å; S255-A259 WeakPolarHBondContact O-CB 3.43Å; S255-A259 PolarHBondContact O-N 2.91Å; S255-L278 WeakPolarHBondContact OG-CA 3.47Å; S255-L278 WeakPolarHBondContact OG-CD2 3.36Å; S255-L278 PolarHBondContact OG-O 3.07Å; S255-L278 VanDerWaalsContact OG-O 3.1Å
256	E	96.2	Very high	92.9	Very high	58 Å²	58	40.7 Å²	40.7	27%	0.271	20%	0.203	S	C	.	.	H	α-helix	trans	-59.8	-48.7	174.3	-176.2	-172.3	-102.8	0	0	110.8	Y252 Y253 M258 A259 E260	Y252-E256 PolarHBondContact O-N 3.07Å; Y252-E256 PolarHBondContact OH-OE1 2.87Å; Y253-E256 PolarHBondContact O-N 2.81Å; E256-M258 VanDerWaalsContact C-N 3.33Å; E256-M258 PolarHBondContact O-N 3.41Å; E256-A259 WeakPolarHBondContact O-CB 3.48Å; E256-A259 PolarHBondContact O-N 2.96Å; E256-E260 PolarHBondContact O-N 3.1Å; E256-E260 VanDerWaalsContact O-N 3.07Å
257	K	98.1	Very high	93.3	Very high	53 Å²	53	44.9 Å²	44.9	23%	0.23	22%	0.219	C	C	.	.	H	α-helix	trans	-65.1	-37.6	178.3	-62.6	-65.9	150.5	-135.7	0	112.5	A228 A231 Y253 G254 E260 A261	A228-K257 HydrophobicContact CB-CB 4.07Å; A228-K257 HydrophobicContact CB-CG 3.95Å; A231-K257 HydrophobicContact CB-CB 4.31Å; A231-K257 WeakPolarHBondContact CB-O 3.4Å; Y253-K257 HydrophobicContact CE1-CG 4.46Å; Y253-K257 HydrophobicContact CE2-CG 4.37Å; Y253-K257 WeakPolarHBondContact O-CG 3.27Å; Y253-K257 PolarHBondContact O-N 2.93Å; Y253-K257 VanDerWaalsContact O-N 3.16Å; G254-K257 PolarHBondContact O-N 2.97Å; K257-E260 IonicContact NZ-OE1 3.73Å; K257-E260 PolarHBondContact NZ-OE1 3.26Å; K257-E260 IonicContact NZ-OE2 2.61Å; K257-E260 PolarHBondContact NZ-OE2 3.14Å; K257-A261 WeakPolarHBondContact O-CB 3.32Å; K257-A261 PolarHBondContact O-N 3.23Å; K257-A261 VanDerWaalsContact O-N 3.13Å
258	M	98	Very high	93.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.6	-44.1	173.7	-171.5	60.9	67.5	0	0	111.4	I227 A231 F234 L245 F250 G254 S255 E256 E260 A261 L262 F273	I227-M258 HydrophobicContact CG2-CE 4.12Å; A231-M258 HydrophobicContact CB-CB 4.5Å; A231-M258 HydrophobicContact CB-CE 4.03Å; A231-M258 HydrophobicContact CB-SD 4.17Å; F234-M258 HydrophobicContact CD2-CE 4Å; F234-M258 HydrophobicContact CD2-SD 3.98Å; F234-M258 HydrophobicContact CE2-CE 3.9Å; F234-M258 HydrophobicContact CE2-SD 4.37Å; L245-M258 HydrophobicContact CD1-CE 3.63Å; F250-M258 HydrophobicContact CD1-CB 4.47Å; F250-M258 HydrophobicContact CE1-CB 4.15Å; F250-M258 HydrophobicContact CE1-CE 4.05Å; F250-M258 HydrophobicContact CE1-CG 4.08Å; F250-M258 HydrophobicContact CZ-CE 4.32Å; G254-M258 WeakPolarHBondContact O-CB 3.37Å; G254-M258 PolarHBondContact O-N 3.33Å; S255-M258 PolarHBondContact O-N 3.28Å; E256-M258 VanDerWaalsContact C-N 3.33Å; E256-M258 PolarHBondContact O-N 3.41Å; M258-E260 VanDerWaalsContact C-N 3.33Å; M258-E260 PolarHBondContact O-N 2.83Å; M258-A261 CarbonylContact O-C 3.6Å; M258-A261 PolarHBondContact O-N 2.71Å; M258-L262 HydrophobicContact CG-CD1 4.15Å; M258-L262 HydrophobicContact CG-CG 4.23Å; M258-L262 VanDerWaalsContact O-CG 3.26Å; M258-L262 WeakPolarHBondContact O-CG 3.44Å; M258-L262 PolarHBondContact O-N 3.42Å; M258-L262 HydrophobicContact SD-CG 4.45Å; M258-F273 HydrophobicContact CE-CZ 4.2Å; M258-F273 HydrophobicContact CG-CE2 3.64Å; M258-F273 HydrophobicContact CG-CZ 3.44Å; M258-F273 VanDerWaalsContact CG-CZ 3.44Å; M258-F273 HydrophobicContact SD-CZ 3.84Å
259	A	96.4	Very high	93.7	Very high	9 Å²	9	43.3 Å²	43.3	7%	0.074	21%	0.21	C	C	.	.	H	α-helix	trans	-57.3	-44.5	177.1	0	0	0	0	0	112.1	S255 E256 A261 L262 A285 I286 A289	S255-A259 WeakPolarHBondContact O-CB 3.43Å; S255-A259 PolarHBondContact O-N 2.91Å; E256-A259 WeakPolarHBondContact O-CB 3.48Å; E256-A259 PolarHBondContact O-N 2.96Å; A259-A261 VanDerWaalsContact C-N 3.3Å; A259-A261 PolarHBondContact O-N 3.49Å; A259-L262 PolarHBondContact O-N 3.17Å; A259-A285 HydrophobicContact CB-CB 4.05Å; A259-A285 WeakPolarHBondContact CB-O 3.32Å; A259-I286 HydrophobicContact CB-CG1 4.24Å; A259-A289 HydrophobicContact CB-CB 3.94Å; A259-A289 WeakPolarHBondContact O-CB 3.46Å
260	E	97	Very high	93.7	Very high	103 Å²	103	41.4 Å²	41.4	48%	0.481	20%	0.197	S	C	.	.	H	α-helix	trans	-58.4	-41.6	173.4	-68.9	169.3	-158.9	0	0	112.1	E256 K257 M258	E256-E260 PolarHBondContact O-N 3.1Å; E256-E260 VanDerWaalsContact O-N 3.07Å; K257-E260 IonicContact NZ-OE1 3.73Å; K257-E260 PolarHBondContact NZ-OE1 3.26Å; K257-E260 IonicContact NZ-OE2 2.61Å; K257-E260 PolarHBondContact NZ-OE2 3.14Å; M258-E260 VanDerWaalsContact C-N 3.33Å; M258-E260 PolarHBondContact O-N 2.83Å
261	A	97.2	Very high	93.6	Very high	5 Å²	5	41.4 Å²	41.4	4%	0.041	20%	0.197	C	C	.	.	H	α-helix	trans	-75	-23.1	-177.8	0	0	0	0	0	114.6	A231 K257 M258 A259 P264 L265	A231-A261 HydrophobicContact CB-CB 3.75Å; A231-A261 WeakPolarHBondContact O-CB 3.44Å; K257-A261 WeakPolarHBondContact O-CB 3.32Å; K257-A261 PolarHBondContact O-N 3.23Å; K257-A261 VanDerWaalsContact O-N 3.13Å; M258-A261 CarbonylContact O-C 3.6Å; M258-A261 PolarHBondContact O-N 2.71Å; A259-A261 VanDerWaalsContact C-N 3.3Å; A259-A261 PolarHBondContact O-N 3.49Å; A261-P264 VanDerWaalsContact O-CD 3.32Å; A261-P264 WeakPolarHBondContact O-CD 3.38Å; A261-P264 WeakPolarHBondContact O-CG 3.43Å; A261-L265 WeakPolarHBondContact O-CG 3.24Å
262	L	96.7	Very high	93.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-74.8	-33.9	179.2	-71.2	170.6	0	0	0	112.5	I243 M258 A259 L265 L268 L271 F273 I286 A289 L290 C294	I243-L262 HydrophobicContact CD1-CD2 4.22Å; M258-L262 HydrophobicContact CG-CD1 4.15Å; M258-L262 HydrophobicContact CG-CG 4.23Å; M258-L262 VanDerWaalsContact O-CG 3.26Å; M258-L262 WeakPolarHBondContact O-CG 3.44Å; M258-L262 PolarHBondContact O-N 3.42Å; M258-L262 HydrophobicContact SD-CG 4.45Å; A259-L262 PolarHBondContact O-N 3.17Å; L262-L265 HydrophobicContact CD2-CD1 4.26Å; L262-L265 WeakPolarHBondContact O-CB 3.5Å; L262-L265 PolarHBondContact O-N 3.33Å; L262-L268 HydrophobicContact CD2-CD2 3.63Å; L262-L271 HydrophobicContact CD1-CD2 3.88Å; L262-L271 HydrophobicContact CD2-CD1 4.13Å; L262-L271 HydrophobicContact CD2-CD2 4.14Å; L262-F273 HydrophobicContact CD1-CE2 4.33Å; L262-I286 HydrophobicContact CD1-CG2 4.03Å; L262-A289 HydrophobicContact CB-CB 4.48Å; L262-L290 HydrophobicContact CD1-CD2 4.05Å; L262-L290 HydrophobicContact CD1-CG 4.46Å; L262-C294 PolarHBondContact O-SG 3.08Å
263	L	93.5	Very high	93.8	Very high	79 Å²	79	34.8 Å²	34.8	41%	0.414	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-47.2	-178	-72.5	170.8	0	0	0	114.9	L265 A289 D292	L263-L265 VanDerWaalsContact C-N 3.27Å; L263-L265 PolarHBondContact O-N 3.41Å; L263-A289 HydrophobicContact CD2-CB 4.13Å; L263-A289 HydrophobicContact CG-CB 4.2Å; L263-D292 HydrophobicContact CD2-CB 4.21Å
264	P	92.9	Very high	93.3	Very high	64 Å²	64	29.8 Å²	29.8	42%	0.416	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-6	178.7	30.7	-38.1	0	0	0	114.9	A261 E266	A261-P264 VanDerWaalsContact O-CD 3.32Å; A261-P264 WeakPolarHBondContact O-CD 3.38Å; A261-P264 WeakPolarHBondContact O-CG 3.43Å; P264-E266 PolarHBondContact O-N 2.96Å; P264-E266 VanDerWaalsContact O-N 3.1Å
265	L	95.5	Very high	92.6	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.165	C	C	.	.			trans	-88.8	69.8	-173.7	-53.6	-174.8	0	0	0	111.7	F234 N237 L240 I243 A261 L262 L263 K267 L268 C294	F234-L265 HydrophobicContact CB-CD1 4.45Å; F234-L265 WeakPolarHBondContact O-CD2 3.19Å; N237-L265 WeakPolarHBondContact O-CD2 3.14Å; L240-L265 HydrophobicContact CB-CD1 4.34Å; L240-L265 HydrophobicContact CB-CD2 4.45Å; L240-L265 HydrophobicContact CD1-CD1 4.2Å; I243-L265 HydrophobicContact CD1-CD1 3.77Å; A261-L265 WeakPolarHBondContact O-CG 3.24Å; L262-L265 HydrophobicContact CD2-CD1 4.26Å; L262-L265 WeakPolarHBondContact O-CB 3.5Å; L262-L265 PolarHBondContact O-N 3.33Å; L263-L265 VanDerWaalsContact C-N 3.27Å; L263-L265 PolarHBondContact O-N 3.41Å; L265-K267 PolarHBondContact O-N 3.28Å; L265-L268 HydrophobicContact CB-CB 4.16Å; L265-L268 WeakPolarHBondContact O-CB 3.47Å; L265-L268 PolarHBondContact O-N 3Å; L265-C294 PolarHBondContact O-SG 3.29Å
266	E	93.3	Very high	92.1	Very high	92 Å²	92	33 Å²	33	43%	0.43	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.2	-176.9	-69.4	-68.3	179.8	0	0	114	P264 N295 C296	P264-E266 PolarHBondContact O-N 2.96Å; P264-E266 VanDerWaalsContact O-N 3.1Å; E266-N295 PolarHBondContact OE2-ND2 3.1Å; E266-C296 WeakPolarHBondContact O-CB 3.48Å; E266-C296 PolarHBondContact O-SG 2.85Å; E266-C296 VanDerWaalsContact O-SG 3.34Å
267	K	94.7	Very high	91.5	Very high	100 Å²	100	34.3 Å²	34.3	44%	0.435	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	0.9	-179.5	-61.2	-170.5	-172.9	172.6	0	113.9	N239 L240 R241 L265 E269	N239-K267 PolarHBondContact OD1-NZ 3.23Å; L240-K267 CarbonylContact O-C 3.43Å; L240-K267 VanDerWaalsContact O-C 3.3Å; R241-K267 WeakPolarHBondContact CA-O 3.41Å; R241-K267 HydrophobicContact CG-CB 4.29Å; R241-K267 WeakPolarHBondContact CG-O 3.13Å; L265-K267 PolarHBondContact O-N 3.28Å; K267-E269 PolarHBondContact O-N 2.98Å
268	L	94.9	Very high	90.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.164	C	C	.	.			trans	-61.8	124	-178.6	-172.2	68.7	0	0	0	110.1	L240 I243 L262 L265 L271 L290 C294 C296 L297	L240-L268 WeakPolarHBondContact O-CA 3.39Å; L240-L268 PolarHBondContact O-N 3.48Å; I243-L268 HydrophobicContact CB-CD1 4.43Å; I243-L268 HydrophobicContact CD1-CD1 3.86Å; I243-L268 HydrophobicContact CG1-CD1 3.94Å; L262-L268 HydrophobicContact CD2-CD2 3.63Å; L265-L268 HydrophobicContact CB-CB 4.16Å; L265-L268 WeakPolarHBondContact O-CB 3.47Å; L265-L268 PolarHBondContact O-N 3Å; L268-L271 HydrophobicContact CD2-CB 4.36Å; L268-L271 HydrophobicContact CD2-CD1 4.26Å; L268-L271 HydrophobicContact CD2-CD2 4.4Å; L268-L290 HydrophobicContact CD2-CD2 4.4Å; L268-C294 HydrophobicContact CB-CB 4.36Å; L268-C294 HydrophobicContact CD2-CB 4.48Å; L268-C296 CarbonylContact O-C 3.48Å; L268-L297 HydrophobicContact CD2-CD1 4.38Å; L268-L297 HydrophobicContact CG-CD1 4.31Å; L268-L297 VanDerWaalsContact O-CA 3.23Å; L268-L297 WeakPolarHBondContact O-CA 3.48Å; L268-L297 PolarHBondContact O-N 2.96Å
269	E	89.3	Confident	89.9	Confident	33 Å²	33	34.1 Å²	34.1	15%	0.154	18%	0.176	C	C	.	.			trans	-111.3	-38.6	-178.9	-68.8	-178.8	-150.4	0	0	112.1	R241 K267 C296 K298 L299	R241-E269 IonicContact CZ-OE1 3.58Å; R241-E269 IonicContact NE-OE1 2.87Å; R241-E269 PolarHBondContact NE-OE1 2.86Å; R241-E269 VanDerWaalsContact NH2-CD 3.25Å; R241-E269 IonicContact NH2-OE1 3.6Å; R241-E269 PolarHBondContact NH2-OE1 3Å; R241-E269 IonicContact NH2-OE2 2.74Å; R241-E269 PolarHBondContact NH2-OE2 3.44Å; R241-E269 VanDerWaalsContact NH2-OE2 3.1Å; R241-E269 WeakPolarHBondContact O-CA 3.46Å; R241-E269 PolarHBondContact O-N 3.29Å; K267-E269 PolarHBondContact O-N 2.98Å; E269-C296 WeakPolarHBondContact CA-O 3.32Å; E269-C296 HydrophobicContact CG-CB 4.3Å; E269-K298 HydrophobicContact CB-CD 4.39Å; E269-K298 HydrophobicContact CG-CD 4.44Å; E269-K298 PolarHBondContact O-N 2.95Å; E269-K298 IonicContact OE1-NZ 2.89Å; E269-K298 IonicContact OE2-NZ 3.31Å; E269-K298 PolarHBondContact OE2-NZ 3.3Å; E269-L299 PolarHBondContact O-N 3.33Å
270	I	86.6	Confident	89.1	Confident	18 Å²	18	35.4 Å²	35.4	9%	0.092	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	125.7	-176.5	-56.5	172	0	0	0	109	A7 L8 R241 V242 I243 L299	A7-I270 HydrophobicContact CB-CD1 3.74Å; A7-I270 WeakPolarHBondContact O-CD1 3.42Å; L8-I270 HydrophobicContact CD2-CG2 4.05Å; R241-I270 PolarHBondContact O-N 3.3Å; V242-I270 WeakPolarHBondContact CA-O 3.45Å; V242-I270 HydrophobicContact CB-CB 4.47Å; V242-I270 HydrophobicContact CG1-CB 4.18Å; V242-I270 HydrophobicContact CG1-CG2 4.37Å; V242-I270 HydrophobicContact CG2-CB 4.13Å; V242-I270 HydrophobicContact CG2-CD1 4.02Å; V242-I270 HydrophobicContact CG2-CG1 4.35Å; I243-I270 PolarHBondContact N-O 3.05Å; I270-L299 WeakPolarHBondContact CA-O 3.07Å; I270-L299 HydrophobicContact CG1-CB 4.34Å; I270-L299 HydrophobicContact CG2-CB 4.44Å; I270-L299 HydrophobicContact CG2-CD2 4.26Å; I270-L299 HydrophobicContact CG2-CG 4.49Å
271	L	90.3	Very high	88.5	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	115.5	172.9	-168.9	62.5	0	0	0	109.3	I243 L262 L268 F273 I286 L290 L297 L299 L300 I301	I243-L271 HydrophobicContact CB-CD1 3.69Å; I243-L271 HydrophobicContact CD1-CD1 4.36Å; I243-L271 HydrophobicContact CG2-CD1 3.93Å; L262-L271 HydrophobicContact CD1-CD2 3.88Å; L262-L271 HydrophobicContact CD2-CD1 4.13Å; L262-L271 HydrophobicContact CD2-CD2 4.14Å; L268-L271 HydrophobicContact CD2-CB 4.36Å; L268-L271 HydrophobicContact CD2-CD1 4.26Å; L268-L271 HydrophobicContact CD2-CD2 4.4Å; L271-F273 HydrophobicContact CD1-CD1 4.25Å; L271-F273 HydrophobicContact CD1-CD2 4.35Å; L271-F273 HydrophobicContact CD1-CE1 3.58Å; L271-F273 HydrophobicContact CD1-CE2 3.75Å; L271-F273 HydrophobicContact CD1-CZ 3.31Å; L271-F273 HydrophobicContact CD2-CD2 4.01Å; L271-F273 HydrophobicContact CD2-CE2 3.62Å; L271-F273 HydrophobicContact CD2-CZ 4.09Å; L271-F273 HydrophobicContact CG-CD1 4.46Å; L271-F273 HydrophobicContact CG-CD2 4.03Å; L271-F273 HydrophobicContact CG-CE1 4.21Å; L271-F273 HydrophobicContact CG-CE2 3.8Å; L271-F273 HydrophobicContact CG-CG 4.35Å; L271-F273 HydrophobicContact CG-CZ 3.89Å; L271-I286 HydrophobicContact CD2-CG2 4.47Å; L271-L290 HydrophobicContact CD2-CD1 3.94Å; L271-L290 HydrophobicContact CD2-CD2 3.96Å; L271-L290 HydrophobicContact CD2-CG 4.44Å; L271-L297 HydrophobicContact CB-CD1 4.09Å; L271-L299 PolarHBondContact N-O 3.35Å; L271-L300 HydrophobicContact CB-CD1 4.07Å; L271-L300 HydrophobicContact CD2-CD1 3.98Å; L271-L300 HydrophobicContact CG-CD1 4.22Å; L271-L300 WeakPolarHBondContact O-CA 3.28Å; L271-I301 PolarHBondContact O-N 3.35Å
272	N	86.4	Confident	88.1	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.011	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	100.4	178.1	-176.8	10.9	0	0	0	110.4	L8 I243 D244 L245 C246 D274 I301	L8-N272 WeakPolarHBondContact CD1-ND2 3.36Å; I243-N272 PolarHBondContact O-N 2.89Å; D244-N272 HydrophobicContact CB-CB 4.07Å; D244-N272 PolarHBondContact OD1-ND2 2.98Å; D244-N272 PolarHBondContact OD2-ND2 3.37Å; L245-N272 PolarHBondContact N-O 2.94Å; C246-N272 PolarHBondContact N-O 3.34Å; N272-D274 WeakPolarHBondContact OD1-CB 3.44Å; N272-D274 PolarHBondContact OD1-N 3.14Å; N272-D274 VanDerWaalsContact OD1-N 3.13Å; N272-I301 HydrophobicContact CB-CB 4.29Å; N272-I301 HydrophobicContact CB-CD1 4.26Å; N272-I301 WeakPolarHBondContact OD1-CB 3.34Å
273	F	90.2	Very high	87.7	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.			trans	-114.8	35.3	171.8	-63.4	-23.8	0	0	0	111.3	I243 L245 F250 M258 L262 L271 D275 C276 L278 I286 I301	I243-F273 HydrophobicContact CG2-CE1 3.9Å; I243-F273 HydrophobicContact CG2-CZ 4.39Å; L245-F273 HydrophobicContact CB-CD1 4.09Å; L245-F273 HydrophobicContact CB-CE1 4.09Å; L245-F273 HydrophobicContact CD1-CE1 4.06Å; L245-F273 HydrophobicContact CG-CE1 4.25Å; F250-F273 HydrophobicContact CE1-CD1 4.16Å; F250-F273 HydrophobicContact CE1-CD2 4.28Å; F250-F273 HydrophobicContact CE1-CE1 4.03Å; F250-F273 HydrophobicContact CE1-CE2 4.11Å; F250-F273 HydrophobicContact CE1-CG 4.3Å; F250-F273 AromaticContact CE1-CZ 3.99Å; F250-F273 HydrophobicContact CE1-CZ 3.99Å; F250-F273 AromaticContact CZ-CD1 3.72Å; F250-F273 HydrophobicContact CZ-CD1 3.72Å; F250-F273 AromaticContact CZ-CE1 3.73Å; F250-F273 HydrophobicContact CZ-CE1 3.73Å; F250-F273 HydrophobicContact CZ-CG 4.21Å; F250-F273 HydrophobicContact CZ-CZ 4.17Å; M258-F273 HydrophobicContact CE-CZ 4.2Å; M258-F273 HydrophobicContact CG-CE2 3.64Å; M258-F273 HydrophobicContact CG-CZ 3.44Å; M258-F273 VanDerWaalsContact CG-CZ 3.44Å; M258-F273 HydrophobicContact SD-CZ 3.84Å; L262-F273 HydrophobicContact CD1-CE2 4.33Å; L271-F273 HydrophobicContact CD1-CD1 4.25Å; L271-F273 HydrophobicContact CD1-CD2 4.35Å; L271-F273 HydrophobicContact CD1-CE1 3.58Å; L271-F273 HydrophobicContact CD1-CE2 3.75Å; L271-F273 HydrophobicContact CD1-CZ 3.31Å; L271-F273 HydrophobicContact CD2-CD2 4.01Å; L271-F273 HydrophobicContact CD2-CE2 3.62Å; L271-F273 HydrophobicContact CD2-CZ 4.09Å; L271-F273 HydrophobicContact CG-CD1 4.46Å; L271-F273 HydrophobicContact CG-CD2 4.03Å; L271-F273 HydrophobicContact CG-CE1 4.21Å; L271-F273 HydrophobicContact CG-CE2 3.8Å; L271-F273 HydrophobicContact CG-CG 4.35Å; L271-F273 HydrophobicContact CG-CZ 3.89Å; F273-D275 PolarHBondContact O-N 3.27Å; F273-C276 WeakPolarHBondContact CA-SG 3.28Å; F273-C276 HydrophobicContact CB-CB 4.08Å; F273-C276 WeakPolarHBondContact O-CB 3.46Å; F273-C276 PolarHBondContact O-N 3.01Å; F273-C276 PolarHBondContact O-SG 3.41Å; F273-C276 VanDerWaalsContact O-SG 3.41Å; F273-L278 HydrophobicContact CB-CD1 4.3Å; F273-L278 HydrophobicContact CB-CD2 4.49Å; F273-I286 HydrophobicContact CD2-CD1 3.98Å; F273-I286 HydrophobicContact CD2-CG2 4.44Å; F273-I286 HydrophobicContact CE2-CD1 4.05Å; F273-I286 HydrophobicContact CE2-CG2 4.39Å; F273-I301 CarbonylContact C-O 3.53Å; F273-I301 PolarHBondContact N-O 3.01Å
274	D	81.2	Confident	87.4	Confident	8 Å²	8	33.2 Å²	33.2	4%	0.043	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	135.5	174	-169.6	22.7	0	0	0	111.2	R4 C246 D247 N272 C276 I301 N303	R4-D274 IonicContact NH2-OD2 2.75Å; C246-D274 CarbonylContact C-O 3.46Å; C246-D274 WeakPolarHBondContact CA-O 3.39Å; C246-D274 HydrophobicContact CB-CB 4.21Å; C246-D274 PolarHBondContact SG-O 2.84Å; D247-D274 PolarHBondContact N-O 2.87Å; N272-D274 WeakPolarHBondContact OD1-CB 3.44Å; N272-D274 PolarHBondContact OD1-N 3.14Å; N272-D274 VanDerWaalsContact OD1-N 3.13Å; D274-C276 PolarHBondContact O-N 2.95Å; D274-C276 PolarHBondContact O-SG 2.92Å; D274-I301 HydrophobicContact CB-CG2 3.91Å; D274-I301 PolarHBondContact N-O 3.42Å; D274-N303 WeakPolarHBondContact OD1-CB 3.41Å; D274-N303 PolarHBondContact OD1-N 3.17Å; D274-N303 PolarHBondContact OD1-ND2 3.42Å
275	D	80.9	Confident	87.3	Confident	67 Å²	67	31.3 Å²	31.3	36%	0.358	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	37.2	-178	-150	9.1	0	0	0	114.7	F273	F273-D275 PolarHBondContact O-N 3.27Å
276	C	85.3	Confident	87.2	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.007	16%	0.16	C	C	.	.			trans	-91	1.8	-175.2	-75.1	0	0	0	0	116.4	L245 N248 F250 F273 D274 L278	L245-C276 PolarHBondContact O-SG 2.95Å; N248-C276 CarbonylContact O-C 3.21Å; N248-C276 WeakPolarHBondContact O-CA 3.44Å; N248-C276 VanDerWaalsContact O-O 3.12Å; F250-C276 HydrophobicContact CD2-CB 3.71Å; F250-C276 HydrophobicContact CE2-CB 3.83Å; F250-C276 HydrophobicContact CG-CB 4.28Å; F250-C276 HydrophobicContact CZ-CB 4.47Å; F250-C276 PolarHBondContact N-O 3.49Å; F273-C276 WeakPolarHBondContact CA-SG 3.28Å; F273-C276 HydrophobicContact CB-CB 4.08Å; F273-C276 WeakPolarHBondContact O-CB 3.46Å; F273-C276 PolarHBondContact O-N 3.01Å; F273-C276 PolarHBondContact O-SG 3.41Å; F273-C276 VanDerWaalsContact O-SG 3.41Å; D274-C276 PolarHBondContact O-N 2.95Å; D274-C276 PolarHBondContact O-SG 2.92Å; C276-L278 HydrophobicContact CB-CD2 3.57Å; C276-L278 HydrophobicContact CB-CG 4.06Å; C276-L278 PolarHBondContact O-N 2.97Å
277	L	83.2	Confident	87.1	Confident	85 Å²	85	26.9 Å²	26.9	45%	0.445	14%	0.139	S	C	.	.			trans	46.7	54.6	-175.2	-63.4	177	0	0	0	113.6	T249 S251 T279	T249-L277 HydrophobicContact CG2-CB 4.3Å; T249-L277 HydrophobicContact CG2-CD1 3.96Å; S251-L277 WeakPolarHBondContact CA-O 3.49Å; S251-L277 PolarHBondContact N-O 2.85Å; L277-T279 VanDerWaalsContact C-N 3.3Å; L277-T279 PolarHBondContact O-N 3.1Å
278	L	82.7	Confident	86.9	Confident	8 Å²	8	26.4 Å²	26.4	4%	0.042	14%	0.137	C	C	.	.			trans	-70.9	-20.3	-173	-56.1	178.7	0	0	0	114.6	F250 S251 S255 F273 C276 G282 A283 I286 F305	F250-L278 HydrophobicContact CB-CD2 3.75Å; F250-L278 HydrophobicContact CD1-CD2 3.45Å; F250-L278 VanDerWaalsContact CD1-CD2 3.45Å; F250-L278 HydrophobicContact CD2-CD2 4.26Å; F250-L278 HydrophobicContact CE1-CD2 4.07Å; F250-L278 HydrophobicContact CG-CD2 3.57Å; S251-L278 CarbonylContact C-O 3.38Å; S255-L278 WeakPolarHBondContact OG-CA 3.47Å; S255-L278 WeakPolarHBondContact OG-CD2 3.36Å; S255-L278 PolarHBondContact OG-O 3.07Å; S255-L278 VanDerWaalsContact OG-O 3.1Å; F273-L278 HydrophobicContact CB-CD1 4.3Å; F273-L278 HydrophobicContact CB-CD2 4.49Å; C276-L278 HydrophobicContact CB-CD2 3.57Å; C276-L278 HydrophobicContact CB-CG 4.06Å; C276-L278 PolarHBondContact O-N 2.97Å; L278-G282 VanDerWaalsContact O-CA 3.29Å; L278-G282 WeakPolarHBondContact O-CA 3.49Å; L278-A283 HydrophobicContact CB-CB 4.25Å; L278-A283 HydrophobicContact CD1-CB 4.36Å; L278-I286 HydrophobicContact CD1-CD1 3.86Å; L278-I286 HydrophobicContact CD2-CD1 3.88Å; L278-I286 HydrophobicContact CG-CD1 4.38Å; L278-F305 HydrophobicContact CD1-CD2 3.95Å; L278-F305 HydrophobicContact CD1-CE1 4.18Å; L278-F305 HydrophobicContact CD1-CE2 3.19Å; L278-F305 HydrophobicContact CD1-CZ 3.35Å
279	T	80.8	Confident	86.8	Confident	41 Å²	41	26.7 Å²	26.7	25%	0.252	14%	0.14	S	C	.	.			trans	64	163.7	-160.3	90.9	0	0	0	0	113.2	L277 E281 G282 A283	L277-T279 VanDerWaalsContact C-N 3.3Å; L277-T279 PolarHBondContact O-N 3.1Å; T279-E281 PolarHBondContact OG1-OE2 3.07Å; T279-G282 PolarHBondContact O-N 3.36Å; T279-G282 PolarHBondContact OG1-N 2.9Å; T279-A283 VanDerWaalsContact O-CB 3.26Å; T279-A283 WeakPolarHBondContact O-CB 3.48Å; T279-A283 PolarHBondContact O-N 3.21Å
280	N	79.8	Confident	86.8	Confident	37 Å²	37	25.1 Å²	25.1	20%	0.198	13%	0.132	C	C	.	.	H	α-helix	trans	-64.7	-44.1	179.4	-70.7	-29.3	0	0	0	111.7	T284 G332	N280-T284 WeakPolarHBondContact O-CB 3.42Å; N280-T284 PolarHBondContact O-N 3.42Å; N280-T284 PolarHBondContact O-OG1 3.2Å; N280-G332 PolarHBondContact ND2-N 2.65Å; N280-G332 VanDerWaalsContact ND2-N 3.19Å; N280-G332 PolarHBondContact ND2-O 2.7Å; N280-G332 WeakPolarHBondContact OD1-CA 3.38Å; N280-G332 PolarHBondContact OD1-N 2.74Å
281	E	84.3	Confident	86.9	Confident	117 Å²	117	27.9 Å²	27.9	55%	0.547	14%	0.141	S	C	.	.	H	α-helix	trans	-66.2	-41.5	179.3	-60.7	72.2	-155.5	0	0	110.6	Y252 T279 T284 A285	Y252-E281 HydrophobicContact CD2-CB 3.6Å; Y252-E281 HydrophobicContact CE2-CB 3.73Å; T279-E281 PolarHBondContact OG1-OE2 3.07Å; E281-T284 PolarHBondContact O-N 3.1Å; E281-A285 PolarHBondContact O-N 3.04Å
282	G	88.5	Confident	86.8	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-68.8	-43	177.5	0	0	0	0	0	112.9	L278 T279 T284 A285 I286	L278-G282 VanDerWaalsContact O-CA 3.29Å; L278-G282 WeakPolarHBondContact O-CA 3.49Å; T279-G282 PolarHBondContact O-N 3.36Å; T279-G282 PolarHBondContact OG1-N 2.9Å; G282-T284 VanDerWaalsContact C-N 3.3Å; G282-T284 PolarHBondContact O-N 2.82Å; G282-A285 WeakPolarHBondContact O-CB 3.48Å; G282-A285 PolarHBondContact O-N 3.33Å; G282-I286 PolarHBondContact O-N 3.37Å
283	A	87.8	Confident	86.8	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.7	-41.9	172.1	0	0	0	0	0	111.4	L278 T279 A285 I286 C287 F305 A309	L278-A283 HydrophobicContact CB-CB 4.25Å; L278-A283 HydrophobicContact CD1-CB 4.36Å; T279-A283 VanDerWaalsContact O-CB 3.26Å; T279-A283 WeakPolarHBondContact O-CB 3.48Å; T279-A283 PolarHBondContact O-N 3.21Å; A283-A285 PolarHBondContact O-N 3.09Å; A283-I286 PolarHBondContact O-N 3.42Å; A283-C287 PolarHBondContact O-N 3.45Å; A283-F305 HydrophobicContact CB-CB 4.33Å; A283-F305 HydrophobicContact CB-CD1 3.98Å; A283-F305 HydrophobicContact CB-CE1 4.47Å; A283-F305 HydrophobicContact CB-CG 4.05Å; A283-A309 HydrophobicContact CB-CB 3.79Å
284	T	87.4	Confident	86.6	Confident	24 Å²	24	32.8 Å²	32.8	15%	0.147	17%	0.168	C	C	.	.	H	α-helix	trans	-62.7	-42.3	175.9	-57	0	0	0	0	111.1	N280 E281 G282 C287 K288	N280-T284 WeakPolarHBondContact O-CB 3.42Å; N280-T284 PolarHBondContact O-N 3.42Å; N280-T284 PolarHBondContact O-OG1 3.2Å; E281-T284 PolarHBondContact O-N 3.1Å; G282-T284 VanDerWaalsContact C-N 3.3Å; G282-T284 PolarHBondContact O-N 2.82Å; T284-C287 PolarHBondContact O-N 3.45Å; T284-K288 HydrophobicContact CG2-CD 4.42Å; T284-K288 WeakPolarHBondContact O-CG 3.42Å; T284-K288 PolarHBondContact O-N 2.97Å
285	A	91.1	Very high	86.7	Confident	23 Å²	23	36.5 Å²	36.5	19%	0.19	19%	0.188	C	C	.	.	H	α-helix	trans	-61.7	-44.2	176.5	0	0	0	0	0	112	A259 E281 G282 A283 K288 A289	A259-A285 HydrophobicContact CB-CB 4.05Å; A259-A285 WeakPolarHBondContact CB-O 3.32Å; E281-A285 PolarHBondContact O-N 3.04Å; G282-A285 WeakPolarHBondContact O-CB 3.48Å; G282-A285 PolarHBondContact O-N 3.33Å; A283-A285 PolarHBondContact O-N 3.09Å; A285-K288 WeakPolarHBondContact O-CB 3.23Å; A285-K288 PolarHBondContact O-N 3.16Å; A285-A289 PolarHBondContact O-N 2.81Å
286	I	92.9	Very high	87	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.4	-49	175.6	-71	164.6	0	0	0	110.4	A259 L262 L271 F273 L278 G282 A283 K288 A289 L290 F305	A259-I286 HydrophobicContact CB-CG1 4.24Å; L262-I286 HydrophobicContact CD1-CG2 4.03Å; L271-I286 HydrophobicContact CD2-CG2 4.47Å; F273-I286 HydrophobicContact CD2-CD1 3.98Å; F273-I286 HydrophobicContact CD2-CG2 4.44Å; F273-I286 HydrophobicContact CE2-CD1 4.05Å; F273-I286 HydrophobicContact CE2-CG2 4.39Å; L278-I286 HydrophobicContact CD1-CD1 3.86Å; L278-I286 HydrophobicContact CD2-CD1 3.88Å; L278-I286 HydrophobicContact CG-CD1 4.38Å; G282-I286 PolarHBondContact O-N 3.37Å; A283-I286 PolarHBondContact O-N 3.42Å; I286-K288 VanDerWaalsContact C-N 3.32Å; I286-K288 PolarHBondContact O-N 3.31Å; I286-A289 WeakPolarHBondContact O-CB 3.49Å; I286-A289 PolarHBondContact O-N 3.43Å; I286-A289 VanDerWaalsContact O-N 3.11Å; I286-L290 HydrophobicContact CG2-CD1 3.9Å; I286-L290 HydrophobicContact CG2-CG 4.25Å; I286-L290 WeakPolarHBondContact O-CG 3.41Å; I286-L290 PolarHBondContact O-N 3.04Å; I286-F305 HydrophobicContact CG2-CE1 4.23Å; I286-F305 HydrophobicContact CG2-CZ 4.48Å
287	C	90.2	Very high	87.1	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.007	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-36.1	178.2	-77	0	0	0	0	113.2	A283 T284 L290 R291 F305 A309 E312 I313	A283-C287 PolarHBondContact O-N 3.45Å; T284-C287 PolarHBondContact O-N 3.45Å; C287-L290 PolarHBondContact O-N 3.31Å; C287-R291 VanDerWaalsContact O-CB 3.25Å; C287-R291 WeakPolarHBondContact O-CB 3.18Å; C287-R291 PolarHBondContact O-N 3.25Å; C287-F305 VanDerWaalsContact SG-CD1 3.54Å; C287-A309 HydrophobicContact CB-CB 4.34Å; C287-A309 WeakPolarHBondContact CB-O 3.42Å; C287-A309 PolarHBondContact SG-O 3.45Å; C287-E312 HydrophobicContact CB-CB 4.06Å; C287-I313 HydrophobicContact CB-CB 4.08Å; C287-I313 HydrophobicContact CB-CG2 4.41Å
288	K	90.5	Very high	87.1	Confident	90 Å²	90	37.8 Å²	37.8	39%	0.391	19%	0.194	S	C	.	.	H	α-helix	trans	-59.7	-48.5	170.5	-75.8	179.5	177.8	169.7	0	111.4	T284 A285 I286 L290 R291 D292 E312	T284-K288 HydrophobicContact CG2-CD 4.42Å; T284-K288 WeakPolarHBondContact O-CG 3.42Å; T284-K288 PolarHBondContact O-N 2.97Å; A285-K288 WeakPolarHBondContact O-CB 3.23Å; A285-K288 PolarHBondContact O-N 3.16Å; I286-K288 VanDerWaalsContact C-N 3.32Å; I286-K288 PolarHBondContact O-N 3.31Å; K288-L290 PolarHBondContact O-N 3.17Å; K288-R291 WeakPolarHBondContact O-CB 3.07Å; K288-R291 PolarHBondContact O-N 3.17Å; K288-R291 VanDerWaalsContact O-N 3.14Å; K288-D292 WeakPolarHBondContact O-CB 3.49Å; K288-D292 PolarHBondContact O-N 3.13Å; K288-E312 HydrophobicContact CB-CG 4.47Å; K288-E312 WeakPolarHBondContact CE-OE1 3.47Å; K288-E312 HydrophobicContact CG-CG 3.49Å; K288-E312 VanDerWaalsContact CG-CG 3.49Å; K288-E312 WeakPolarHBondContact CG-OE1 3.45Å
289	A	92.8	Very high	86.9	Confident	6 Å²	6	38.3 Å²	38.3	5%	0.05	20%	0.197	C	C	.	.	H	α-helix	trans	-62.3	-43	179.1	0	0	0	0	0	112.3	A259 L262 L263 A285 I286 R291 D292 G293	A259-A289 HydrophobicContact CB-CB 3.94Å; A259-A289 WeakPolarHBondContact O-CB 3.46Å; L262-A289 HydrophobicContact CB-CB 4.48Å; L263-A289 HydrophobicContact CD2-CB 4.13Å; L263-A289 HydrophobicContact CG-CB 4.2Å; A285-A289 PolarHBondContact O-N 2.81Å; I286-A289 WeakPolarHBondContact O-CB 3.49Å; I286-A289 PolarHBondContact O-N 3.43Å; I286-A289 VanDerWaalsContact O-N 3.11Å; A289-R291 VanDerWaalsContact C-N 3.28Å; A289-R291 PolarHBondContact O-N 3.39Å; A289-D292 PolarHBondContact O-N 3.36Å; A289-G293 PolarHBondContact O-N 3.15Å
290	L	91.1	Very high	87	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.8	-28.8	174.8	-63.7	177.7	0	0	0	112.6	L262 L268 L271 I286 C287 K288 C294 L297 L300 I313 R316	L262-L290 HydrophobicContact CD1-CD2 4.05Å; L262-L290 HydrophobicContact CD1-CG 4.46Å; L268-L290 HydrophobicContact CD2-CD2 4.4Å; L271-L290 HydrophobicContact CD2-CD1 3.94Å; L271-L290 HydrophobicContact CD2-CD2 3.96Å; L271-L290 HydrophobicContact CD2-CG 4.44Å; I286-L290 HydrophobicContact CG2-CD1 3.9Å; I286-L290 HydrophobicContact CG2-CG 4.25Å; I286-L290 WeakPolarHBondContact O-CG 3.41Å; I286-L290 PolarHBondContact O-N 3.04Å; C287-L290 PolarHBondContact O-N 3.31Å; K288-L290 PolarHBondContact O-N 3.17Å; L290-C294 HydrophobicContact CD2-CB 4.02Å; L290-L297 HydrophobicContact CB-CD2 4.44Å; L290-L297 HydrophobicContact CD1-CD2 4.03Å; L290-L297 HydrophobicContact CD2-CD2 4.13Å; L290-L297 HydrophobicContact CG-CD2 4.42Å; L290-L300 HydrophobicContact CD1-CD1 3.85Å; L290-L300 HydrophobicContact CD1-CD2 3.82Å; L290-L300 HydrophobicContact CD1-CG 4.43Å; L290-I313 HydrophobicContact CB-CD1 3.65Å; L290-I313 HydrophobicContact CD1-CD1 3.95Å; L290-I313 HydrophobicContact CG-CD1 4.49Å; L290-R316 PolarHBondContact O-NE 3.41Å; L290-R316 VanDerWaalsContact O-NE 3.17Å
291	R	87.3	Confident	86.8	Confident	75 Å²	75	35.1 Å²	35.1	28%	0.283	18%	0.178	S	C	.	.	H	α-helix	trans	-71	-38.6	172.2	-174.3	-153.4	54	-131.1	-12.5	111.7	C287 K288 A289 E312 R316	C287-R291 VanDerWaalsContact O-CB 3.25Å; C287-R291 WeakPolarHBondContact O-CB 3.18Å; C287-R291 PolarHBondContact O-N 3.25Å; K288-R291 WeakPolarHBondContact O-CB 3.07Å; K288-R291 PolarHBondContact O-N 3.17Å; K288-R291 VanDerWaalsContact O-N 3.14Å; A289-R291 VanDerWaalsContact C-N 3.28Å; A289-R291 PolarHBondContact O-N 3.39Å; R291-E312 WeakPolarHBondContact CD-O 3.19Å; R291-E312 IonicContact CZ-OE1 3.56Å; R291-E312 IonicContact NH1-OE1 3.98Å; R291-E312 PolarHBondContact NH1-OE1 3.21Å; R291-E312 IonicContact NH2-OE1 3.1Å; R291-R316 VanDerWaalsContact CA-CD 3.43Å; R291-R316 HydrophobicContact CG-CB 4.36Å; R291-R316 VanDerWaalsContact O-CD 3.28Å; R291-R316 WeakPolarHBondContact O-CD 3.35Å; R291-R316 PolarHBondContact O-NE 2.85Å; R291-R316 PolarHBondContact O-NH1 3.08Å
292	D	88.8	Confident	86.2	Confident	104 Å²	104	29.5 Å²	29.5	56%	0.556	15%	0.152	S	C	*	.	H	α-helix	trans	-89	-17.1	-174.6	-61.1	-21.7	0	0	0	112.3	L263 K288 A289	L263-D292 HydrophobicContact CD2-CB 4.21Å; K288-D292 WeakPolarHBondContact O-CB 3.49Å; K288-D292 PolarHBondContact O-N 3.13Å; A289-D292 PolarHBondContact O-N 3.36Å
293	G	86.8	Confident	84.8	Confident	2 Å²	2	30.3 Å²	30.3	2%	0.021	16%	0.156	C	C	.	.	S	Bend	trans	-138.7	-158.2	179.3	0	0	0	0	0	114.2	A289 N295 R316	A289-G293 PolarHBondContact O-N 3.15Å; G293-N295 PolarHBondContact O-N 3.47Å; G293-R316 PolarHBondContact O-NH2 2.9Å
294	C	85	Confident	83.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.			trans	50	55	175.5	-56.9	0	0	0	0	114.5	L262 L265 L268 L290 C296 L297	L262-C294 PolarHBondContact O-SG 3.08Å; L265-C294 PolarHBondContact O-SG 3.29Å; L268-C294 HydrophobicContact CB-CB 4.36Å; L268-C294 HydrophobicContact CD2-CB 4.48Å; L290-C294 HydrophobicContact CD2-CB 4.02Å; C294-C296 PolarHBondContact O-N 3.03Å; C294-C296 VanDerWaalsContact O-N 3.1Å; C294-L297 HydrophobicContact CB-CB 4.45Å; C294-L297 WeakPolarHBondContact O-CB 2.82Å; C294-L297 PolarHBondContact O-N 3.09Å; C294-L297 VanDerWaalsContact O-N 3.12Å
295	N	84.5	Confident	82.5	Confident	85 Å²	85	32.8 Å²	32.8	46%	0.455	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.3	-175.4	-64.6	-63.5	0	0	0	114.4	E266 G293 R316	E266-N295 PolarHBondContact OE2-ND2 3.1Å; G293-N295 PolarHBondContact O-N 3.47Å; N295-R316 PolarHBondContact OD1-NH2 2.93Å
296	C	86.7	Confident	81.1	Confident	60 Å²	60	32 Å²	32	41%	0.405	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	2.4	177.6	-68.4	0	0	0	0	114.5	E266 L268 E269 C294 K298	E266-C296 WeakPolarHBondContact O-CB 3.48Å; E266-C296 PolarHBondContact O-SG 2.85Å; E266-C296 VanDerWaalsContact O-SG 3.34Å; L268-C296 CarbonylContact O-C 3.48Å; E269-C296 WeakPolarHBondContact CA-O 3.32Å; E269-C296 HydrophobicContact CG-CB 4.3Å; C294-C296 PolarHBondContact O-N 3.03Å; C294-C296 VanDerWaalsContact O-N 3.1Å; C296-K298 PolarHBondContact O-N 2.76Å
297	L	86.5	Confident	80	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.021	18%	0.18	C	C	.	.			trans	-61.6	129.9	-175.7	-169.4	71.6	0	0	0	110.3	L268 L271 L290 C294 L300 I322	L268-L297 HydrophobicContact CD2-CD1 4.38Å; L268-L297 HydrophobicContact CG-CD1 4.31Å; L268-L297 VanDerWaalsContact O-CA 3.23Å; L268-L297 WeakPolarHBondContact O-CA 3.48Å; L268-L297 PolarHBondContact O-N 2.96Å; L271-L297 HydrophobicContact CB-CD1 4.09Å; L290-L297 HydrophobicContact CB-CD2 4.44Å; L290-L297 HydrophobicContact CD1-CD2 4.03Å; L290-L297 HydrophobicContact CD2-CD2 4.13Å; L290-L297 HydrophobicContact CG-CD2 4.42Å; C294-L297 HydrophobicContact CB-CB 4.45Å; C294-L297 WeakPolarHBondContact O-CB 2.82Å; C294-L297 PolarHBondContact O-N 3.09Å; C294-L297 VanDerWaalsContact O-N 3.12Å; L297-L300 HydrophobicContact CD2-CB 4.32Å; L297-I322 HydrophobicContact CB-CD1 4.33Å; L297-I322 HydrophobicContact CB-CG1 4.36Å; L297-I322 HydrophobicContact CD2-CD1 4.1Å; L297-I322 HydrophobicContact CD2-CG1 4.48Å; L297-I322 HydrophobicContact CD2-CG2 4.08Å; L297-I322 HydrophobicContact CG-CG1 4.49Å; L297-I322 HydrophobicContact CG-CG2 4.27Å; L297-I322 VanDerWaalsContact O-CG1 3.31Å; L297-I322 WeakPolarHBondContact O-CG1 3.46Å
298	K	82.7	Confident	79.2	Confident	116 Å²	116	44.3 Å²	44.3	50%	0.504	21%	0.214	S	C	.	.			trans	-117.1	-33.6	179.4	-64.4	173.2	-173	165.3	0	111.9	E269 C296 S323	E269-K298 HydrophobicContact CB-CD 4.39Å; E269-K298 HydrophobicContact CG-CD 4.44Å; E269-K298 PolarHBondContact O-N 2.95Å; E269-K298 IonicContact OE1-NZ 2.89Å; E269-K298 IonicContact OE2-NZ 3.31Å; E269-K298 PolarHBondContact OE2-NZ 3.3Å; C296-K298 PolarHBondContact O-N 2.76Å; K298-S323 WeakPolarHBondContact O-CB 3.06Å; K298-S323 PolarHBondContact O-N 3.36Å
299	L	79.8	Confident	78.6	Confident	20 Å²	20	40 Å²	40	11%	0.105	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	120.1	-175.1	179.5	58.7	0	0	0	110.1	A7 E269 I270 L271 I301 S323	A7-L299 HydrophobicContact CB-CD2 4.26Å; E269-L299 PolarHBondContact O-N 3.33Å; I270-L299 WeakPolarHBondContact CA-O 3.07Å; I270-L299 HydrophobicContact CG1-CB 4.34Å; I270-L299 HydrophobicContact CG2-CB 4.44Å; I270-L299 HydrophobicContact CG2-CD2 4.26Å; I270-L299 HydrophobicContact CG2-CG 4.49Å; L271-L299 PolarHBondContact N-O 3.35Å; L299-I301 HydrophobicContact CD1-CG1 3.92Å; L299-I301 HydrophobicContact CD2-CD1 4.01Å; L299-I301 HydrophobicContact CD2-CG1 4.18Å; L299-I301 HydrophobicContact CG-CD1 4.21Å; L299-I301 HydrophobicContact CG-CG1 3.81Å; L299-S323 WeakPolarHBondContact CA-O 3.49Å; L299-S323 WeakPolarHBondContact CD1-O 3.41Å
300	L	82.4	Confident	77.7	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	114.5	170	175.5	61.4	0	0	0	108.3	L271 L290 L297 F305 I313 I322 S323 L324 G325	L271-L300 HydrophobicContact CB-CD1 4.07Å; L271-L300 HydrophobicContact CD2-CD1 3.98Å; L271-L300 HydrophobicContact CG-CD1 4.22Å; L271-L300 WeakPolarHBondContact O-CA 3.28Å; L290-L300 HydrophobicContact CD1-CD1 3.85Å; L290-L300 HydrophobicContact CD1-CD2 3.82Å; L290-L300 HydrophobicContact CD1-CG 4.43Å; L297-L300 HydrophobicContact CD2-CB 4.32Å; L300-F305 HydrophobicContact CD1-CE1 4.49Å; L300-F305 HydrophobicContact CD1-CZ 4.29Å; L300-F305 HydrophobicContact CD2-CE1 4.25Å; L300-I313 HydrophobicContact CD2-CD1 3.92Å; L300-I322 HydrophobicContact CB-CG2 4.27Å; L300-S323 PolarHBondContact N-O 3.31Å; L300-L324 HydrophobicContact CB-CD2 4.19Å; L300-L324 HydrophobicContact CD2-CD2 3.98Å; L300-G325 PolarHBondContact O-N 2.89Å
301	I	76.6	Confident	77.2	Confident	10 Å²	10	46.7 Å²	46.7	5%	0.051	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125.8	175	-45.1	178.2	0	0	0	107.9	L8 L271 N272 F273 D274 L299	L8-I301 HydrophobicContact CD1-CD1 4.29Å; L271-I301 PolarHBondContact O-N 3.35Å; N272-I301 HydrophobicContact CB-CB 4.29Å; N272-I301 HydrophobicContact CB-CD1 4.26Å; N272-I301 WeakPolarHBondContact OD1-CB 3.34Å; F273-I301 CarbonylContact C-O 3.53Å; F273-I301 PolarHBondContact N-O 3.01Å; D274-I301 HydrophobicContact CB-CG2 3.91Å; D274-I301 PolarHBondContact N-O 3.42Å; L299-I301 HydrophobicContact CD1-CG1 3.92Å; L299-I301 HydrophobicContact CD2-CD1 4.01Å; L299-I301 HydrophobicContact CD2-CG1 4.18Å; L299-I301 HydrophobicContact CG-CD1 4.21Å; L299-I301 HydrophobicContact CG-CG1 3.81Å
302	G	71.6	Confident	76.9	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.229	C	C	.	.			trans	-169.7	87	-174.2	0	0	0	0	0	112.1	F305 S326 F327	G302-F305 WeakPolarHBondContact O-CD2 3.34Å; G302-S326 CarbonylContact C-O 3.41Å; G302-S326 VanDerWaalsContact C-O 3.28Å; G302-F327 WeakPolarHBondContact O-CD1 3.43Å
303	N	58.7	Low	76.6	Confident	16 Å²	16	41 Å²	41	9%	0.086	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	144.7	168.4	-75	-38	0	0	0	109.9	D274 S326 Y428	D274-N303 WeakPolarHBondContact OD1-CB 3.41Å; D274-N303 PolarHBondContact OD1-N 3.17Å; D274-N303 PolarHBondContact OD1-ND2 3.42Å; N303-S326 VanDerWaalsContact CG-OG 3.26Å; N303-S326 PolarHBondContact N-O 3.32Å; N303-S326 PolarHBondContact ND2-OG 3.42Å; N303-S326 WeakPolarHBondContact OD1-CB 3.4Å; N303-S326 PolarHBondContact OD1-O 3.37Å; N303-S326 PolarHBondContact OD1-OG 3.38Å; N303-Y428 VanDerWaalsContact ND2-CE1 3.34Å; N303-Y428 WeakPolarHBondContact ND2-CE1 3.11Å; N303-Y428 WeakPolarHBondContact OD1-CD1 3.29Å
304	R	60.2	Low	76.2	Confident	76 Å²	76	42.5 Å²	42.5	29%	0.287	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	28.7	-178.8	-55.8	177.3	163.9	157.5	-0.8	116.6	G306 S328 D330	R304-G306 PolarHBondContact O-N 2.88Å; R304-S328 WeakPolarHBondContact CA-OG 3.47Å; R304-S328 WeakPolarHBondContact CG-OG 3.12Å; R304-S328 PolarHBondContact N-OG 3.34Å; R304-D330 HydrophobicContact CG-CB 4.17Å; R304-D330 IonicContact CZ-OD2 3.66Å; R304-D330 IonicContact NE-OD2 2.81Å; R304-D330 PolarHBondContact NE-OD2 3.15Å; R304-D330 VanDerWaalsContact NE-OD2 3.1Å; R304-D330 IonicContact NH2-OD2 3.6Å
305	F	65.8	Low	75.8	Confident	1 Å²	1	46.2 Å²	46.2	0%	0.004	24%	0.244	C	C	.	.			trans	-74	107.2	160.6	-75.9	-127.8	0	0	0	106.9	L278 A283 I286 C287 L300 G302 A309 I310 F327	L278-F305 HydrophobicContact CD1-CD2 3.95Å; L278-F305 HydrophobicContact CD1-CE1 4.18Å; L278-F305 HydrophobicContact CD1-CE2 3.19Å; L278-F305 HydrophobicContact CD1-CZ 3.35Å; A283-F305 HydrophobicContact CB-CB 4.33Å; A283-F305 HydrophobicContact CB-CD1 3.98Å; A283-F305 HydrophobicContact CB-CE1 4.47Å; A283-F305 HydrophobicContact CB-CG 4.05Å; I286-F305 HydrophobicContact CG2-CE1 4.23Å; I286-F305 HydrophobicContact CG2-CZ 4.48Å; C287-F305 VanDerWaalsContact SG-CD1 3.54Å; L300-F305 HydrophobicContact CD1-CE1 4.49Å; L300-F305 HydrophobicContact CD1-CZ 4.29Å; L300-F305 HydrophobicContact CD2-CE1 4.25Å; G302-F305 WeakPolarHBondContact O-CD2 3.34Å; F305-A309 HydrophobicContact CB-CB 4.32Å; F305-A309 HydrophobicContact CD1-CB 4.34Å; F305-I310 HydrophobicContact CB-CG1 4.31Å; F305-I310 WeakPolarHBondContact O-CD1 3.49Å; F305-F327 HydrophobicContact CB-CD1 3.99Å; F305-F327 HydrophobicContact CG-CD1 4.36Å
306	G	63	Low	75.3	Confident	6 Å²	6	44.4 Å²	44.4	6%	0.062	23%	0.231	C	C	.	.			trans	-56.5	155.3	178.8	0	0	0	0	0	112.1	R304 K308 A309 I310	R304-G306 PolarHBondContact O-N 2.88Å; G306-K308 PolarHBondContact O-N 2.78Å; G306-A309 WeakPolarHBondContact O-CA 3.4Å; G306-A309 WeakPolarHBondContact O-CB 3.48Å; G306-A309 PolarHBondContact O-N 3.13Å; G306-I310 PolarHBondContact O-N 3.4Å
307	L	68.9	Low	74.7	Confident	94 Å²	94	41.7 Å²	41.7	49%	0.492	21%	0.213	S	C	.	.	H	α-helix	trans	-48.4	-40.1	-173.9	-69.1	173.5	0	0	0	113.8	A309 I310 D311 E329	L307-A309 VanDerWaalsContact C-N 3.32Å; L307-A309 PolarHBondContact O-N 3.44Å; L307-I310 WeakPolarHBondContact O-CA 3.37Å; L307-I310 WeakPolarHBondContact O-CB 3.4Å; L307-I310 PolarHBondContact O-N 2.84Å; L307-I310 VanDerWaalsContact O-N 3.09Å; L307-D311 PolarHBondContact O-N 2.84Å; L307-E329 HydrophobicContact CD2-CG 4.31Å
308	K	74.2	Confident	74.2	Confident	166 Å²	166	48 Å²	48	72%	0.722	25%	0.247	S	C	*	.	H	α-helix	trans	-59.5	-39.8	176.7	-67.4	-179.1	-178.2	171.8	0	113.2	G306 I310 E312	G306-K308 PolarHBondContact O-N 2.78Å; K308-I310 VanDerWaalsContact C-N 3.31Å; K308-E312 WeakPolarHBondContact O-CB 3.49Å; K308-E312 PolarHBondContact O-N 3.15Å; K308-E312 VanDerWaalsContact O-N 3.1Å
309	A	77	Confident	73.6	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67.9	-36.5	176.9	0	0	0	0	0	110.8	A283 C287 F305 G306 L307 E312 I313	A283-A309 HydrophobicContact CB-CB 3.79Å; C287-A309 HydrophobicContact CB-CB 4.34Å; C287-A309 WeakPolarHBondContact CB-O 3.42Å; C287-A309 PolarHBondContact SG-O 3.45Å; F305-A309 HydrophobicContact CB-CB 4.32Å; F305-A309 HydrophobicContact CD1-CB 4.34Å; G306-A309 WeakPolarHBondContact O-CA 3.4Å; G306-A309 WeakPolarHBondContact O-CB 3.48Å; G306-A309 PolarHBondContact O-N 3.13Å; L307-A309 VanDerWaalsContact C-N 3.32Å; L307-A309 PolarHBondContact O-N 3.44Å; A309-E312 WeakPolarHBondContact O-CB 3.43Å; A309-E312 PolarHBondContact O-N 2.84Å; A309-I313 PolarHBondContact O-N 3.33Å
310	I	74.4	Confident	73.1	Confident	34 Å²	34	53.5 Å²	53.5	17%	0.174	27%	0.273	C	S	.	.	H	α-helix	trans	-65.8	-49.1	175.3	-60.8	174.7	0	0	0	110.2	F305 G306 L307 K308 E312 I313 S314 F327	F305-I310 HydrophobicContact CB-CG1 4.31Å; F305-I310 WeakPolarHBondContact O-CD1 3.49Å; G306-I310 PolarHBondContact O-N 3.4Å; L307-I310 WeakPolarHBondContact O-CA 3.37Å; L307-I310 WeakPolarHBondContact O-CB 3.4Å; L307-I310 PolarHBondContact O-N 2.84Å; L307-I310 VanDerWaalsContact O-N 3.09Å; K308-I310 VanDerWaalsContact C-N 3.31Å; I310-E312 PolarHBondContact O-N 3.42Å; I310-E312 VanDerWaalsContact O-N 3.17Å; I310-I313 CarbonylContact O-C 3.21Å; I310-I313 WeakPolarHBondContact O-CG2 3.3Å; I310-I313 PolarHBondContact O-N 3.23Å; I310-S314 VanDerWaalsContact O-CB 3.29Å; I310-S314 WeakPolarHBondContact O-CB 3.44Å; I310-S314 PolarHBondContact O-N 2.68Å; I310-F327 HydrophobicContact CD1-CB 3.91Å; I310-F327 HydrophobicContact CD1-CD1 4.42Å; I310-F327 HydrophobicContact CD1-CG 4.07Å
311	D	79.6	Confident	72.4	Confident	112 Å²	112	56.3 Å²	56.3	60%	0.599	30%	0.302	S	S	*	.	H	α-helix	trans	-55.8	-34.4	176.9	-72.3	-21.2	0	0	0	112	L307 I313 S314	L307-D311 PolarHBondContact O-N 2.84Å; D311-I313 VanDerWaalsContact C-N 3.3Å; D311-I313 PolarHBondContact O-N 2.84Å; D311-S314 PolarHBondContact O-OG 2.87Å
312	E	81.4	Confident	72	Confident	56 Å²	56	56.4 Å²	56.4	26%	0.262	30%	0.302	S	S	.	.	H	α-helix	trans	-66.2	-30.6	179.3	-155.3	72.9	-175.7	0	0	113.2	C287 K288 R291 K308 A309 I310	C287-E312 HydrophobicContact CB-CB 4.06Å; K288-E312 HydrophobicContact CB-CG 4.47Å; K288-E312 WeakPolarHBondContact CE-OE1 3.47Å; K288-E312 HydrophobicContact CG-CG 3.49Å; K288-E312 VanDerWaalsContact CG-CG 3.49Å; K288-E312 WeakPolarHBondContact CG-OE1 3.45Å; R291-E312 WeakPolarHBondContact CD-O 3.19Å; R291-E312 IonicContact CZ-OE1 3.56Å; R291-E312 IonicContact NH1-OE1 3.98Å; R291-E312 PolarHBondContact NH1-OE1 3.21Å; R291-E312 IonicContact NH2-OE1 3.1Å; K308-E312 WeakPolarHBondContact O-CB 3.49Å; K308-E312 PolarHBondContact O-N 3.15Å; K308-E312 VanDerWaalsContact O-N 3.1Å; A309-E312 WeakPolarHBondContact O-CB 3.43Å; A309-E312 PolarHBondContact O-N 2.84Å; I310-E312 PolarHBondContact O-N 3.42Å; I310-E312 VanDerWaalsContact O-N 3.17Å
313	I	82.4	Confident	71.6	Confident	2 Å²	2	59 Å²	59	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-108	-20.8	-178.7	-160.3	171.6	0	0	0	113.5	C287 L290 L300 A309 I310 D311 A315 R316 A317 L324	C287-I313 HydrophobicContact CB-CB 4.08Å; C287-I313 HydrophobicContact CB-CG2 4.41Å; L290-I313 HydrophobicContact CB-CD1 3.65Å; L290-I313 HydrophobicContact CD1-CD1 3.95Å; L290-I313 HydrophobicContact CG-CD1 4.49Å; L300-I313 HydrophobicContact CD2-CD1 3.92Å; A309-I313 PolarHBondContact O-N 3.33Å; I310-I313 CarbonylContact O-C 3.21Å; I310-I313 WeakPolarHBondContact O-CG2 3.3Å; I310-I313 PolarHBondContact O-N 3.23Å; D311-I313 VanDerWaalsContact C-N 3.3Å; D311-I313 PolarHBondContact O-N 2.84Å; I313-A315 PolarHBondContact O-N 2.88Å; I313-R316 CarbonylContact O-C 3.18Å; I313-R316 WeakPolarHBondContact O-CA 3.38Å; I313-R316 WeakPolarHBondContact O-CB 3.35Å; I313-R316 PolarHBondContact O-N 3.33Å; I313-A317 PolarHBondContact O-N 2.76Å; I313-L324 HydrophobicContact CG2-CD2 4.21Å
314	S	78.8	Confident	71.7	Confident	34 Å²	34	60.7 Å²	60.7	24%	0.238	33%	0.33	C	S	.	.	H	α-helix	trans	-54.5	-50.7	-170.4	59.9	0	0	0	0	112.9	I310 D311 R316 A317 D318	I310-S314 VanDerWaalsContact O-CB 3.29Å; I310-S314 WeakPolarHBondContact O-CB 3.44Å; I310-S314 PolarHBondContact O-N 2.68Å; D311-S314 PolarHBondContact O-OG 2.87Å; S314-R316 PolarHBondContact O-N 2.63Å; S314-R316 VanDerWaalsContact O-N 3.1Å; S314-A317 WeakPolarHBondContact O-CB 3.15Å; S314-A317 PolarHBondContact O-N 3.22Å; S314-D318 PolarHBondContact O-N 3.03Å
315	A	76	Confident	71.4	Confident	79 Å²	79	58.1 Å²	58.1	65%	0.653	33%	0.327	S	S	*	.	H	α-helix	trans	-58.2	-29.8	178.1	0	0	0	0	0	113.1	I313 K319	I313-A315 PolarHBondContact O-N 2.88Å; A315-K319 WeakPolarHBondContact O-CB 3.33Å
316	R	74.4	Confident	70.5	Confident	46 Å²	46	58.7 Å²	58.7	17%	0.174	33%	0.331	C	S	.	.	H	α-helix	trans	-86	-36.9	174.8	-173.8	-177.9	172.6	103.4	-0.7	111.9	L290 R291 G293 N295 I313 S314 D318 K319 L320	L290-R316 PolarHBondContact O-NE 3.41Å; L290-R316 VanDerWaalsContact O-NE 3.17Å; R291-R316 VanDerWaalsContact CA-CD 3.43Å; R291-R316 HydrophobicContact CG-CB 4.36Å; R291-R316 VanDerWaalsContact O-CD 3.28Å; R291-R316 WeakPolarHBondContact O-CD 3.35Å; R291-R316 PolarHBondContact O-NE 2.85Å; R291-R316 PolarHBondContact O-NH1 3.08Å; G293-R316 PolarHBondContact O-NH2 2.9Å; N295-R316 PolarHBondContact OD1-NH2 2.93Å; I313-R316 CarbonylContact O-C 3.18Å; I313-R316 WeakPolarHBondContact O-CA 3.38Å; I313-R316 WeakPolarHBondContact O-CB 3.35Å; I313-R316 PolarHBondContact O-N 3.33Å; S314-R316 PolarHBondContact O-N 2.63Å; S314-R316 VanDerWaalsContact O-N 3.1Å; R316-D318 VanDerWaalsContact C-N 3.31Å; R316-D318 PolarHBondContact O-N 3.12Å; R316-K319 PolarHBondContact O-N 3.35Å; R316-K319 VanDerWaalsContact O-N 3.15Å; R316-L320 HydrophobicContact CG-CD1 3.74Å; R316-L320 HydrophobicContact CG-CG 4.11Å; R316-L320 WeakPolarHBondContact O-CB 3.39Å; R316-L320 PolarHBondContact O-N 2.78Å
317	A	74.7	Confident	70	Confident	3 Å²	3	59.1 Å²	59.1	3%	0.025	33%	0.331	C	S	.	.	H	α-helix	trans	-58.3	-45.7	175.9	0	0	0	0	0	110.9	I313 S314 K319 L320 G321 I322 L324	I313-A317 PolarHBondContact O-N 2.76Å; S314-A317 WeakPolarHBondContact O-CB 3.15Å; S314-A317 PolarHBondContact O-N 3.22Å; A317-K319 VanDerWaalsContact C-N 3.33Å; A317-K319 PolarHBondContact O-N 3.03Å; A317-L320 PolarHBondContact O-N 2.9Å; A317-G321 CarbonylContact O-C 3.49Å; A317-G321 WeakPolarHBondContact O-CA 3.46Å; A317-G321 PolarHBondContact O-N 3.15Å; A317-I322 HydrophobicContact CB-CB 3.97Å; A317-I322 PolarHBondContact O-N 2.85Å; A317-L324 HydrophobicContact CB-CD1 3.71Å; A317-L324 HydrophobicContact CB-CD2 4.14Å; A317-L324 HydrophobicContact CB-CG 3.82Å
318	D	75.5	Confident	68.9	Low	137 Å²	137	55 Å²	55	73%	0.733	31%	0.31	S	S	*	.	H	α-helix	trans	-62	-40.9	174.8	-65.7	-21.2	0	0	0	111.8	S314 R316	S314-D318 PolarHBondContact O-N 3.03Å; R316-D318 VanDerWaalsContact C-N 3.31Å; R316-D318 PolarHBondContact O-N 3.12Å
319	K	71.2	Confident	67.5	Low	178 Å²	178	51.5 Å²	51.5	77%	0.774	30%	0.296	S	S	*	.	H	α-helix	trans	-69.6	-37.5	-179.3	-176.6	-179.9	175.9	-174.9	0	113.1	A315 R316 A317	A315-K319 WeakPolarHBondContact O-CB 3.33Å; R316-K319 PolarHBondContact O-N 3.35Å; R316-K319 VanDerWaalsContact O-N 3.15Å; A317-K319 VanDerWaalsContact C-N 3.33Å; A317-K319 PolarHBondContact O-N 3.03Å
320	L	69.4	Low	66	Low	73 Å²	73	52 Å²	52	38%	0.382	30%	0.299	S	S	.	.	H	α-helix	trans	-99	-5.9	-175.7	-65.4	-176.6	0	0	0	113.3	R316 A317 I322	R316-L320 HydrophobicContact CG-CD1 3.74Å; R316-L320 HydrophobicContact CG-CG 4.11Å; R316-L320 WeakPolarHBondContact O-CB 3.39Å; R316-L320 PolarHBondContact O-N 2.78Å; A317-L320 PolarHBondContact O-N 2.9Å; L320-I322 VanDerWaalsContact C-N 3.31Å; L320-I322 HydrophobicContact CB-CD1 4.19Å; L320-I322 HydrophobicContact CB-CG1 4.03Å; L320-I322 HydrophobicContact CD1-CD1 4.26Å
321	G	67.4	Low	64.2	Low	60 Å²	60	58.4 Å²	58.4	62%	0.619	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	33.8	-173.5	0	0	0	0	0	112.6	A317 S323	A317-G321 CarbonylContact O-C 3.49Å; A317-G321 WeakPolarHBondContact O-CA 3.46Å; A317-G321 PolarHBondContact O-N 3.15Å; G321-S323 PolarHBondContact O-N 3.41Å
322	I	67	Low	62.3	Low	11 Å²	11	53.6 Å²	53.6	6%	0.056	31%	0.305	C	S	.	.			trans	-68.4	116.7	175.2	-62.1	161	0	0	0	107.2	L297 L300 A317 L320 L324	L297-I322 HydrophobicContact CB-CD1 4.33Å; L297-I322 HydrophobicContact CB-CG1 4.36Å; L297-I322 HydrophobicContact CD2-CD1 4.1Å; L297-I322 HydrophobicContact CD2-CG1 4.48Å; L297-I322 HydrophobicContact CD2-CG2 4.08Å; L297-I322 HydrophobicContact CG-CG1 4.49Å; L297-I322 HydrophobicContact CG-CG2 4.27Å; L297-I322 VanDerWaalsContact O-CG1 3.31Å; L297-I322 WeakPolarHBondContact O-CG1 3.46Å; L300-I322 HydrophobicContact CB-CG2 4.27Å; A317-I322 HydrophobicContact CB-CB 3.97Å; A317-I322 PolarHBondContact O-N 2.85Å; L320-I322 VanDerWaalsContact C-N 3.31Å; L320-I322 HydrophobicContact CB-CD1 4.19Å; L320-I322 HydrophobicContact CB-CG1 4.03Å; L320-I322 HydrophobicContact CD1-CD1 4.26Å; I322-L324 HydrophobicContact CG2-CD2 4.08Å; I322-L324 PolarHBondContact O-N 3.46Å
323	S	64.2	Low	60.1	Low	56 Å²	56	55.2 Å²	55.2	39%	0.392	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	104.3	167.9	-174.6	0	0	0	0	107.7	K298 L299 L300 G321 G325	K298-S323 WeakPolarHBondContact O-CB 3.06Å; K298-S323 PolarHBondContact O-N 3.36Å; L299-S323 WeakPolarHBondContact CA-O 3.49Å; L299-S323 WeakPolarHBondContact CD1-O 3.41Å; L300-S323 PolarHBondContact N-O 3.31Å; G321-S323 PolarHBondContact O-N 3.41Å; S323-G325 PolarHBondContact O-N 3.37Å
324	L	61.3	Low	57.6	Low	51 Å²	51	58.4 Å²	58.4	27%	0.267	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	117.7	167.1	-68.3	-174.1	0	0	0	105.8	L300 I313 A317 I322 F327	L300-L324 HydrophobicContact CB-CD2 4.19Å; L300-L324 HydrophobicContact CD2-CD2 3.98Å; I313-L324 HydrophobicContact CG2-CD2 4.21Å; A317-L324 HydrophobicContact CB-CD1 3.71Å; A317-L324 HydrophobicContact CB-CD2 4.14Å; A317-L324 HydrophobicContact CB-CG 3.82Å; I322-L324 HydrophobicContact CG2-CD2 4.08Å; I322-L324 PolarHBondContact O-N 3.46Å; L324-F327 VanDerWaalsContact C-CZ 3.43Å; L324-F327 VanDerWaalsContact CA-CE2 3.46Å; L324-F327 VanDerWaalsContact CA-CZ 3.41Å; L324-F327 HydrophobicContact CB-CD2 4.36Å; L324-F327 HydrophobicContact CB-CE2 3.21Å; L324-F327 HydrophobicContact CB-CZ 3.39Å; L324-F327 HydrophobicContact CD2-CZ 3.93Å; L324-F327 HydrophobicContact CG-CE2 4.34Å; L324-F327 HydrophobicContact CG-CZ 4.18Å
325	G	53.2	Low	55.3	Low	22 Å²	22	61.9 Å²	61.9	23%	0.227	37%	0.369	C	S	.	.			trans	-68.5	-149	-180	0	0	0	0	0	114.6	L300 S323 F327	L300-G325 PolarHBondContact O-N 2.89Å; S323-G325 PolarHBondContact O-N 3.37Å; G325-F327 VanDerWaalsContact C-CE2 3.47Å; G325-F327 VanDerWaalsContact N-CE2 3.27Å; G325-F327 WeakPolarHBondContact O-CD2 3.2Å; G325-F327 WeakPolarHBondContact O-CE2 3.48Å
326	S	47.6	Very low	53	Low	13 Å²	13	62 Å²	62	9%	0.091	37%	0.37	C	S	.	.			trans	-72.7	129.9	173.3	56.4	0	0	0	0	109.8	G302 N303	G302-S326 CarbonylContact C-O 3.41Å; G302-S326 VanDerWaalsContact C-O 3.28Å; N303-S326 VanDerWaalsContact CG-OG 3.26Å; N303-S326 PolarHBondContact N-O 3.32Å; N303-S326 PolarHBondContact ND2-OG 3.42Å; N303-S326 WeakPolarHBondContact OD1-CB 3.4Å; N303-S326 PolarHBondContact OD1-O 3.37Å; N303-S326 PolarHBondContact OD1-OG 3.38Å
327	F	51.7	Low	50.7	Low	14 Å²	14	67.6 Å²	67.6	6%	0.061	40%	0.402	C	S	.	.			trans	-124.1	161.5	172.7	-53.4	-79.7	0	0	0	108.6	G302 F305 I310 L324 G325 Y428 L429	G302-F327 WeakPolarHBondContact O-CD1 3.43Å; F305-F327 HydrophobicContact CB-CD1 3.99Å; F305-F327 HydrophobicContact CG-CD1 4.36Å; I310-F327 HydrophobicContact CD1-CB 3.91Å; I310-F327 HydrophobicContact CD1-CD1 4.42Å; I310-F327 HydrophobicContact CD1-CG 4.07Å; L324-F327 VanDerWaalsContact C-CZ 3.43Å; L324-F327 VanDerWaalsContact CA-CE2 3.46Å; L324-F327 VanDerWaalsContact CA-CZ 3.41Å; L324-F327 HydrophobicContact CB-CD2 4.36Å; L324-F327 HydrophobicContact CB-CE2 3.21Å; L324-F327 HydrophobicContact CB-CZ 3.39Å; L324-F327 HydrophobicContact CD2-CZ 3.93Å; L324-F327 HydrophobicContact CG-CE2 4.34Å; L324-F327 HydrophobicContact CG-CZ 4.18Å; G325-F327 VanDerWaalsContact C-CE2 3.47Å; G325-F327 VanDerWaalsContact N-CE2 3.27Å; G325-F327 WeakPolarHBondContact O-CD2 3.2Å; G325-F327 WeakPolarHBondContact O-CE2 3.48Å; F327-Y428 CarbonylContact O-C 3.54Å; F327-Y428 VanDerWaalsContact O-CB 3.23Å; F327-Y428 WeakPolarHBondContact O-CB 3.46Å; F327-Y428 VanDerWaalsContact O-O 3.06Å; F327-L429 HydrophobicContact CB-CD2 4.31Å; F327-L429 WeakPolarHBondContact O-CD2 3.45Å; F327-L429 WeakPolarHBondContact O-CG 3.44Å
328	S	46	Very low	48.5	Very low	8 Å²	8	71.4 Å²	71.4	6%	0.056	43%	0.429	C	S	.	.			trans	-133.3	146.7	171.8	68.9	0	0	0	0	110.1	R304 D330 Y428	R304-S328 WeakPolarHBondContact CA-OG 3.47Å; R304-S328 WeakPolarHBondContact CG-OG 3.12Å; R304-S328 PolarHBondContact N-OG 3.34Å; S328-D330 WeakPolarHBondContact CB-OD1 3.43Å; S328-D330 PolarHBondContact O-N 3.28Å; S328-D330 VanDerWaalsContact O-N 3.09Å; S328-D330 PolarHBondContact OG-OD1 2.94Å; S328-Y428 WeakPolarHBondContact CA-O 3.37Å; S328-Y428 WeakPolarHBondContact CB-O 3.48Å
329	E	43.8	Very low	46.1	Very low	92 Å²	92	69.7 Å²	69.7	43%	0.43	43%	0.427	S	S	.	.			trans	-71.5	12.6	175.7	-66.1	-176.5	168.3	0	0	112.7	L307 E331 M519	L307-E329 HydrophobicContact CD2-CG 4.31Å; E329-E331 PolarHBondContact O-N 3.38Å; E329-M519 HydrophobicContact CB-CE 4.02Å
330	D	45.8	Very low	43.8	Very low	11 Å²	11	66.8 Å²	66.8	6%	0.059	43%	0.428	C	S	.	.			trans	-62.6	109.6	178.2	-57.9	51.6	0	0	0	104.9	R304 S328 G332 S517 M519	R304-D330 HydrophobicContact CG-CB 4.17Å; R304-D330 IonicContact CZ-OD2 3.66Å; R304-D330 IonicContact NE-OD2 2.81Å; R304-D330 PolarHBondContact NE-OD2 3.15Å; R304-D330 VanDerWaalsContact NE-OD2 3.1Å; R304-D330 IonicContact NH2-OD2 3.6Å; S328-D330 WeakPolarHBondContact CB-OD1 3.43Å; S328-D330 PolarHBondContact O-N 3.28Å; S328-D330 VanDerWaalsContact O-N 3.09Å; S328-D330 PolarHBondContact OG-OD1 2.94Å; D330-G332 PolarHBondContact O-N 3.48Å; D330-S517 WeakPolarHBondContact OD2-CB 3.49Å; D330-S517 PolarHBondContact OD2-OG 3.41Å; D330-M519 HydrophobicContact CB-CE 4.06Å; D330-M519 HydrophobicContact CB-CG 3.88Å; D330-M519 HydrophobicContact CB-SD 4.26Å; D330-M519 WeakPolarHBondContact OD1-CE 3.42Å; D330-M519 WeakPolarHBondContact OD1-CG 3.18Å; D330-M519 WeakPolarHBondContact OD2-CG 3.06Å
331	E	38	Very low	41.6	Very low	169 Å²	169	68.4 Å²	68.4	79%	0.79	44%	0.441	S	S	*	.			trans	-56.4	102.3	158	-66.5	-152	161.4	0	0	105.6	E329 S333	E329-E331 PolarHBondContact O-N 3.38Å; E331-S333 PolarHBondContact O-N 3.42Å
332	G	38.6	Very low	39.7	Very low	11 Å²	11	76.1 Å²	76.1	11%	0.113	45%	0.453	C	S	.	.			trans	-46.7	127.9	-171.6	0	0	0	0	0	109.5	N280 D330 S334	N280-G332 PolarHBondContact ND2-N 2.65Å; N280-G332 VanDerWaalsContact ND2-N 3.19Å; N280-G332 PolarHBondContact ND2-O 2.7Å; N280-G332 WeakPolarHBondContact OD1-CA 3.38Å; N280-G332 PolarHBondContact OD1-N 2.74Å; D330-G332 PolarHBondContact O-N 3.48Å; G332-S334 PolarHBondContact O-N 3.05Å
333	S	35.8	Very low	37.8	Very low	89 Å²	89	84 Å²	84	62%	0.622	49%	0.49	S	S	*	.			trans	-14	99.3	179	-176.7	0	0	0	0	112.7	E331 S335	E331-S333 PolarHBondContact O-N 3.42Å; S333-S335 PolarHBondContact O-N 3.3Å
334	S	30.2	Very low	35.9	Very low	70 Å²	70	90.1 Å²	90.1	49%	0.49	51%	0.512	S	S	.	.			trans	-59.5	101.1	177.4	70.2	0	0	0	0	108.7	G332 A336	G332-S334 PolarHBondContact O-N 3.05Å; S334-A336 PolarHBondContact O-N 2.86Å
335	S	30.8	Very low	34.2	Very low	106 Å²	106	92.5 Å²	92.5	74%	0.741	53%	0.533	S	S	*	.	S	Bend	trans	38.3	15.5	152.9	67.1	0	0	0	0	120.8	S333 I337 S338	S333-S335 PolarHBondContact O-N 3.3Å; S335-I337 VanDerWaalsContact C-N 3.34Å; S335-I337 PolarHBondContact O-N 2.92Å; S335-S338 WeakPolarHBondContact O-CB 3.47Å
336	A	26.5	Very low	33	Very low	82 Å²	82	100.1 Å²	100.1	68%	0.678	56%	0.563	S	S	*	*			trans	-87.8	-2.9	-173.8	0	0	0	0	0	113.6	S334 S338	S334-A336 PolarHBondContact O-N 2.86Å; A336-S338 VanDerWaalsContact C-N 3.3Å
337	I	27.1	Very low	32	Very low	163 Å²	163	105 Å²	105	84%	0.836	59%	0.588	S	S	*	*	S	Bend	trans	-101.3	43.9	168.1	-32.9	177.5	0	0	0	109.4	S335	S335-I337 VanDerWaalsContact C-N 3.34Å; S335-I337 PolarHBondContact O-N 2.92Å
338	S	28.4	Very low	30.9	Very low	84 Å²	84	112.6 Å²	112.6	59%	0.587	63%	0.629	S	S	*	*			trans	-106.1	6.5	174.7	-170.7	0	0	0	0	113.2	S335 A336	S335-S338 WeakPolarHBondContact O-CB 3.47Å; A336-S338 VanDerWaalsContact C-N 3.3Å
339	S	24.8	Very low	30	Very low	100 Å²	100	119.2 Å²	119.2	70%	0.699	66%	0.657	S	S	*	*			trans	-109.7	52.6	179.2	71.3	0	0	0	0	112.9
340	C	22.1	Very low	29.5	Very low	117 Å²	117	119 Å²	119	79%	0.791	67%	0.666	S	S	*	*			trans	-133.2	60.7	148.8	-68.1	0	0	0	0	106.9	Y342	C340-Y342 PolarHBondContact O-N 3.2Å; C340-Y342 VanDerWaalsContact O-N 3.08Å
341	T	24.4	Very low	28.9	Very low	108 Å²	108	126.1 Å²	126.1	66%	0.663	70%	0.699	S	S	*	*			trans	-65	99.7	165.9	46.1	0	0	0	0	107.2	E343	T341-E343 PolarHBondContact O-N 3.4Å
342	Y	25.9	Very low	28.8	Very low	221 Å²	221	124.6 Å²	124.6	87%	0.867	70%	0.696	S	S	*	*			trans	-68.9	107.6	150.5	-73.3	-80.6	0	0	0	104.8	C340 E344	C340-Y342 PolarHBondContact O-N 3.2Å; C340-Y342 VanDerWaalsContact O-N 3.08Å; Y342-E344 PolarHBondContact O-N 3.47Å
343	E	27.3	Very low	28.8	Very low	176 Å²	176	129.7 Å²	129.7	82%	0.822	72%	0.717	S	S	*	*			trans	-53.3	121.3	175.6	-70.2	177.5	161.5	0	0	108.5	T341 S345	T341-E343 PolarHBondContact O-N 3.4Å; E343-S345 PolarHBondContact O-N 2.88Å
344	E	24.8	Very low	28.7	Very low	186 Å²	186	131.1 Å²	131.1	87%	0.869	72%	0.716	S	S	*	*			trans	-62.3	97.9	169.9	-69.1	171.9	156.9	0	0	107.9	Y342 E346	Y342-E344 PolarHBondContact O-N 3.47Å; E344-E346 PolarHBondContact O-N 3.33Å
345	S	25.8	Very low	28.8	Very low	101 Å²	101	133.8 Å²	133.8	71%	0.706	73%	0.725	S	S	*	*			trans	-82.2	97.4	155.3	58	0	0	0	0	107	E343 D347	E343-S345 PolarHBondContact O-N 2.88Å; S345-D347 PolarHBondContact O-N 3.48Å
346	E	27	Very low	29.2	Very low	182 Å²	182	131.5 Å²	131.5	85%	0.85	71%	0.712	S	S	*	*			trans	-54.6	98	160.2	-68.6	-177.6	158.6	0	0	108.5	E344	E344-E346 PolarHBondContact O-N 3.33Å
347	D	26.3	Very low	29.5	Very low	115 Å²	115	134.6 Å²	134.6	62%	0.615	71%	0.713	S	S	*	*			trans	-134.6	111.4	161.3	-80.7	-47.2	0	0	0	108.5	S345 F349	S345-D347 PolarHBondContact O-N 3.48Å; D347-F349 VanDerWaalsContact C-N 3.33Å; D347-F349 HydrophobicContact CB-CD2 3.85Å; D347-F349 HydrophobicContact CB-CE2 3.62Å; D347-F349 PolarHBondContact O-N 2.91Å
348	D	29	Very low	29.7	Very low	174 Å²	174	133.3 Å²	133.3	93%	0.93	71%	0.706	S	S	*	*			trans	-55.2	87.1	170.6	-86.3	-36.3	0	0	0	110.6
349	F	28	Very low	29.9	Very low	147 Å²	147	138.1 Å²	138.1	65%	0.645	72%	0.716	S	S	*	*			trans	-95.7	100.4	168.2	-80.3	-83.1	0	0	0	110.3	D347 H351 E353	D347-F349 VanDerWaalsContact C-N 3.33Å; D347-F349 HydrophobicContact CB-CD2 3.85Å; D347-F349 HydrophobicContact CB-CE2 3.62Å; D347-F349 PolarHBondContact O-N 2.91Å; F349-H351 PolarHBondContact O-N 2.9Å; F349-E353 WeakPolarHBondContact CD1-OE2 3.38Å
350	S	33	Very low	30.2	Very low	87 Å²	87	137.9 Å²	137.9	61%	0.608	71%	0.711	S	S	*	*			trans	-46.2	131.9	166.6	53.3	0	0	0	0	111	D352	S350-D352 PolarHBondContact O-N 3.13Å
351	H	33.7	Very low	30.5	Very low	161 Å²	161	140.6 Å²	140.6	75%	0.745	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.9	4.9	-172.8	-96.8	-67.1	0	0	0	118	F349	F349-H351 PolarHBondContact O-N 2.9Å
352	D	35.7	Very low	30.6	Very low	136 Å²	136	138.6 Å²	138.6	73%	0.727	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-15.1	-176.5	-70.5	-27.2	0	0	0	114.4	S350	S350-D352 PolarHBondContact O-N 3.13Å
353	E	37.1	Very low	30.8	Very low	119 Å²	119	133.3 Å²	133.3	56%	0.556	71%	0.714	S	S	*	*	S	Bend	trans	-85.3	-23.6	177.8	-83.1	-174.1	154	0	0	114.6	F349 N355 A356 Q357	F349-E353 WeakPolarHBondContact CD1-OE2 3.38Å; E353-N355 PolarHBondContact O-N 3.47Å; E353-A356 PolarHBondContact O-N 3.33Å; E353-A356 VanDerWaalsContact O-N 3.14Å; E353-Q357 PolarHBondContact O-N 3.08Å
354	I	33.7	Very low	30.9	Very low	118 Å²	118	130.2 Å²	130.2	61%	0.605	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-25.4	178.4	-65.8	175.1	0	0	0	111.7
355	N	34	Very low	31.4	Very low	127 Å²	127	129.1 Å²	129.1	68%	0.679	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-13	176.4	-85.8	-19.3	0	0	0	114.4	E353	E353-N355 PolarHBondContact O-N 3.47Å
356	A	37.8	Very low	31.7	Very low	58 Å²	58	132.8 Å²	132.8	48%	0.479	72%	0.719	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.7	-32.3	176.1	0	0	0	0	0	112.1	E353 I358 K359	E353-A356 PolarHBondContact O-N 3.33Å; E353-A356 VanDerWaalsContact O-N 3.14Å; A356-I358 VanDerWaalsContact C-N 3.32Å; A356-I358 PolarHBondContact O-N 2.95Å; A356-K359 PolarHBondContact O-N 3.26Å
357	Q	32.7	Very low	31.9	Very low	146 Å²	146	130.8 Å²	130.8	68%	0.682	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-79.7	-6.3	-176.9	-134.2	80.8	8.8	0	0	115	E353 K359	E353-Q357 PolarHBondContact O-N 3.08Å; Q357-K359 VanDerWaalsContact C-N 3.25Å; Q357-K359 PolarHBondContact O-N 3.44Å
358	I	31.6	Very low	32.2	Very low	136 Å²	136	133.4 Å²	133.4	70%	0.697	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-82.4	-2.6	173.2	-63.5	176.1	0	0	0	111.7	A356	A356-I358 VanDerWaalsContact C-N 3.32Å; A356-I358 PolarHBondContact O-N 2.95Å
359	K	33.3	Very low	32.4	Very low	185 Å²	185	133.8 Å²	133.8	80%	0.804	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-109	7.5	-178.7	-80.6	-172.4	177.6	176.6	0	116.8	A356 Q357	A356-K359 PolarHBondContact O-N 3.26Å; Q357-K359 VanDerWaalsContact C-N 3.25Å; Q357-K359 PolarHBondContact O-N 3.44Å
360	T	32	Very low	32.5	Very low	96 Å²	96	133.1 Å²	133.1	59%	0.589	73%	0.729	S	S	*	*	S	Bend	trans	-142.2	77.3	175.4	54.3	0	0	0	0	111.4
361	D	27.2	Very low	32.4	Very low	173 Å²	173	133 Å²	133	93%	0.925	73%	0.733	S	S	*	*	S	Bend	trans	-177.8	106.5	152.2	-88.3	-19.7	0	0	0	103.5
362	G	26.3	Very low	32.3	Very low	67 Å²	67	130.9 Å²	130.9	69%	0.691	73%	0.731	S	S	*	*			cis	147.2	95.9	32.4	0	0	0	0	0	103.7
363	S	29.6	Very low	31.8	Very low	109 Å²	109	134.2 Å²	134.2	76%	0.762	74%	0.739	S	S	*	*			trans	28	112	162.8	54.4	0	0	0	0	118.7	E365	S363-E365 PolarHBondContact O-N 3.29Å
364	A	31.2	Very low	31.1	Very low	111 Å²	111	136.8 Å²	136.8	92%	0.917	75%	0.754	S	S	*	*	S	Bend	trans	-66.5	54.4	172.4	0	0	0	0	0	114.9
365	E	34.9	Very low	30.8	Very low	164 Å²	164	138.5 Å²	138.5	77%	0.766	76%	0.764	S	S	*	*			trans	-122.7	4.1	-179.2	-113	-177.9	-178	0	0	115.9	S363	S363-E365 PolarHBondContact O-N 3.29Å
366	E	32	Very low	30.4	Very low	177 Å²	177	139.9 Å²	139.9	83%	0.827	77%	0.772	S	S	*	*	S	Bend	trans	-107.3	0.5	175.2	-74.4	-155.7	143.9	0	0	116.1
367	V	30.2	Very low	29.9	Very low	140 Å²	140	145.1 Å²	145.1	85%	0.848	79%	0.79	S	S	*	*	S	Bend	trans	-84.7	-9.5	176.2	-170.1	0	0	0	0	112.9
368	E	33.5	Very low	29.8	Very low	171 Å²	171	144 Å²	144	80%	0.799	80%	0.795	S	S	*	*	S	Bend	trans	-95.7	-3.2	-177.1	-148.2	173.5	-177.2	0	0	115.4
369	K	32.3	Very low	29.4	Very low	182 Å²	182	143 Å²	143	79%	0.791	80%	0.8	S	S	*	*	S	Bend	trans	-94.5	-1	-179.8	-79.6	-176.7	-177.9	167.5	0	116.3
370	V	31.1	Very low	28.9	Very low	133 Å²	133	143 Å²	143	81%	0.806	80%	0.803	S	S	*	*	S	Bend	trans	-101.9	-7.9	178.5	-171.1	0	0	0	0	112.9
371	A	31	Very low	28.7	Very low	84 Å²	84	147.9 Å²	147.9	69%	0.694	82%	0.816	S	S	*	*	S	Bend	trans	-91.8	1.4	-179.3	0	0	0	0	0	115.8
372	T	30.6	Very low	28.4	Very low	116 Å²	116	152 Å²	152	71%	0.712	82%	0.818	S	S	*	*	S	Bend	trans	-113.4	26.9	-175.7	46.8	0	0	0	0	115.3
373	K	26.1	Very low	28.5	Very low	206 Å²	206	153.7 Å²	153.7	90%	0.896	82%	0.82	S	S	*	*			trans	-123.2	49.8	166.9	-71.7	-174.4	179.7	176.6	0	112.4
374	M	22.7	Very low	28.2	Very low	174 Å²	174	155.1 Å²	155.1	86%	0.857	82%	0.824	S	S	*	*			trans	-102.2	98.8	150	-86.3	-174.5	165.5	0	0	106.6
375	D	26.5	Very low	28.1	Very low	154 Å²	154	156.1 Å²	156.1	82%	0.824	82%	0.818	S	S	*	*			trans	-171.1	129.5	150.4	-91.4	-27.3	0	0	0	107.8
376	N	26.1	Very low	27.8	Very low	156 Å²	156	154 Å²	154	83%	0.834	82%	0.819	S	S	*	*			trans	91.8	72.1	176.4	-52.2	-46.8	0	0	0	117.7
377	I	27.4	Very low	27.3	Very low	167 Å²	167	155 Å²	155	86%	0.856	82%	0.824	S	S	*	*			trans	-130.8	115.5	140.1	-57.3	-179.4	0	0	0	107.7
378	P	29.4	Very low	26.9	Very low	123 Å²	123	151.8 Å²	151.8	80%	0.799	82%	0.818	S	S	*	*			trans	-76.2	137.6	-171.3	28.6	-31.4	0	0	0	112.2	E380	P378-E380 PolarHBondContact O-N 3.06Å
379	S	23.3	Very low	26.6	Very low	114 Å²	114	152.6 Å²	152.6	80%	0.797	82%	0.822	S	S	*	*			trans	-64.7	108.6	172.8	50.3	0	0	0	0	111.7
380	E	24.3	Very low	26.2	Very low	186 Å²	186	149.5 Å²	149.5	87%	0.869	82%	0.823	S	S	*	*			trans	-168.3	112.6	152.9	-112.9	172.9	-149	0	0	112.1	P378	P378-E380 PolarHBondContact O-N 3.06Å
381	K	27.2	Very low	25.9	Very low	199 Å²	199	154 Å²	154	87%	0.865	83%	0.827	S	S	*	*			trans	146.6	78.9	146.9	-80.4	178.9	-176.7	-177.8	0	110.4	S383	K381-S383 PolarHBondContact O-N 3Å; K381-S383 VanDerWaalsContact O-N 3.14Å
382	R	21.7	Very low	25.6	Very low	258 Å²	258	154.7 Å²	154.7	97%	0.974	83%	0.833	S	S	*	*			trans	-61	102.3	156.1	-102.8	174.1	176.1	179.1	-1.2	107.7
383	S	27.1	Very low	25.3	Very low	103 Å²	103	157.7 Å²	157.7	72%	0.72	84%	0.839	S	S	*	*			trans	-93.6	113.8	163.4	60.8	0	0	0	0	108.7	K381	K381-S383 PolarHBondContact O-N 3Å; K381-S383 VanDerWaalsContact O-N 3.14Å
384	T	24.2	Very low	25.3	Very low	139 Å²	139	152.8 Å²	152.8	85%	0.853	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-55.1	124.7	172.3	46	0	0	0	0	111.6
385	V	27.6	Very low	25.4	Very low	132 Å²	132	153.3 Å²	153.3	80%	0.8	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-93	133.9	166.8	-178.6	0	0	0	0	107.4
386	P	28.6	Very low	25.3	Very low	119 Å²	119	151.6 Å²	151.6	77%	0.773	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-79	141.4	-165.5	-4.7	22.5	0	0	0	112.7
387	E	22.1	Very low	25.4	Very low	200 Å²	200	151.8 Å²	151.8	94%	0.935	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-76.1	138.6	165.8	-64	175.4	159.8	0	0	110.6
388	G	22.6	Very low	25.1	Very low	71 Å²	71	147.5 Å²	147.5	73%	0.732	83%	0.833	S	S	*	*			trans	135.6	126.8	178.1	0	0	0	0	0	109.1
389	E	26.1	Very low	25	Very low	189 Å²	189	151.2 Å²	151.2	88%	0.883	84%	0.839	S	S	*	*			cis	-144.3	141.4	42.7	-69.4	173.6	158.2	0	0	111.7
390	S	24	Very low	25.1	Very low	116 Å²	116	155.6 Å²	155.6	81%	0.811	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-70.4	135.4	177.4	54.9	0	0	0	0	112.2	A392	S390-A392 PolarHBondContact O-N 3.33Å
391	Y	24.5	Very low	25	Very low	228 Å²	228	150.9 Å²	150.9	89%	0.894	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-65.1	116.2	172	-64.8	-90	0	0	0	110.6
392	A	25.7	Very low	25	Very low	98 Å²	98	149.4 Å²	149.4	81%	0.81	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-73	126.7	173	0	0	0	0	0	110.5	S390 A394	S390-A392 PolarHBondContact O-N 3.33Å; A392-A394 PolarHBondContact O-N 3.43Å
393	E	23.3	Very low	25	Very low	180 Å²	180	145.8 Å²	145.8	84%	0.841	83%	0.832	S	S	*	*			trans	-60.5	114	175.2	-65.1	171.3	151.9	0	0	111.1	K395	E393-K395 PolarHBondContact O-N 3.11Å
394	A	27.1	Very low	25	Very low	103 Å²	103	150.9 Å²	150.9	85%	0.851	84%	0.841	S	S	*	*			trans	-80.1	106.1	164.3	0	0	0	0	0	108.5	A392	A392-A394 PolarHBondContact O-N 3.43Å
395	K	25.5	Very low	24.9	Very low	185 Å²	185	150.4 Å²	150.4	80%	0.804	84%	0.844	S	S	*	*			trans	-60.3	131.1	176.4	-71.6	178	176.1	176	0	111	E393 D397	E393-K395 PolarHBondContact O-N 3.11Å; K395-D397 PolarHBondContact O-N 2.7Å
396	S	23.9	Very low	24.8	Very low	117 Å²	117	147.3 Å²	147.3	82%	0.818	84%	0.839	S	S	*	*			trans	-76.4	108.6	168.9	57.1	0	0	0	0	110.1
397	D	27.4	Very low	24.6	Very low	161 Å²	161	147.7 Å²	147.7	86%	0.861	84%	0.844	S	S	*	*			trans	-93.9	113.2	161.2	-75.2	-32.8	0	0	0	107.9	K395	K395-D397 PolarHBondContact O-N 2.7Å
398	G	22	Very low	24.9	Very low	77 Å²	77	147.1 Å²	147.1	79%	0.794	84%	0.841	S	S	*	*			trans	-80	132.8	177.3	0	0	0	0	0	111.3
399	E	26.6	Very low	25	Very low	201 Å²	201	153.4 Å²	153.4	94%	0.939	85%	0.849	S	S	*	*			trans	-128.3	148.5	155.9	-90	-172.5	154.7	0	0	110.4
400	K	25.1	Very low	25.2	Very low	206 Å²	206	150.8 Å²	150.8	90%	0.896	85%	0.846	S	S	*	*			trans	-80.2	155.7	-147.1	-73.5	171.6	171.8	172.1	0	114.8
401	A	23.7	Very low	25.5	Very low	86 Å²	86	154.1 Å²	154.1	71%	0.711	85%	0.848	S	S	*	*			trans	-48.8	138.6	164.6	0	0	0	0	0	114.1
402	D	26.1	Very low	26.1	Very low	169 Å²	169	147.4 Å²	147.4	90%	0.904	83%	0.831	S	S	*	*			trans	-122.9	110.5	147.9	-94	-32.8	0	0	0	108.2
403	E	22.2	Very low	27.5	Very low	182 Å²	182	150.9 Å²	150.9	85%	0.85	83%	0.828	S	S	*	*			trans	-71.1	120.8	169.8	-70.6	177.5	150.6	0	0	109.7
404	K	26.7	Very low	28.8	Very low	209 Å²	209	149.7 Å²	149.7	91%	0.909	82%	0.822	S	S	*	*			trans	-135.3	100.3	148.7	-78.8	-167.7	178.7	174.3	0	109.7	G406	K404-G406 PolarHBondContact O-N 3.42Å
405	S	23.1	Very low	30.8	Very low	129 Å²	129	150 Å²	150	90%	0.902	81%	0.81	S	S	*	*			trans	-66.2	112.6	164.9	58.8	0	0	0	0	109.7
406	G	25.3	Very low	33.1	Very low	67 Å²	67	144.3 Å²	144.3	69%	0.691	79%	0.786	S	S	*	*			trans	-135.2	105.1	166.2	0	0	0	0	0	107.7	K404 E408	K404-G406 PolarHBondContact O-N 3.42Å; G406-E408 PolarHBondContact O-N 3.44Å; G406-E408 VanDerWaalsContact O-N 3.08Å
407	S	23.3	Very low	35.2	Very low	128 Å²	128	144.1 Å²	144.1	90%	0.895	77%	0.77	S	S	*	*			trans	-70.9	93.5	175.8	52.7	0	0	0	0	109.9
408	E	28.4	Very low	37.5	Very low	187 Å²	187	141.7 Å²	141.7	87%	0.874	75%	0.752	S	S	*	*			trans	-105.3	132	167.2	-91.4	177.2	165.2	0	0	110.2	G406 V410	G406-E408 PolarHBondContact O-N 3.44Å; G406-E408 VanDerWaalsContact O-N 3.08Å; E408-V410 PolarHBondContact O-N 3.07Å
409	K	25.8	Very low	40.2	Very low	203 Å²	203	138.6 Å²	138.6	88%	0.883	72%	0.717	S	S	*	*			trans	-62.4	130.8	-174.3	-68.9	173.2	175.1	178	0	109.6	E411	K409-E411 PolarHBondContact O-N 3.31Å
410	V	30.6	Very low	42.5	Very low	135 Å²	135	129.8 Å²	129.8	82%	0.818	68%	0.676	S	S	*	*			trans	-68.8	93.2	178.4	-178	0	0	0	0	109.4	E408 V412	E408-V410 PolarHBondContact O-N 3.07Å; V410-V412 HydrophobicContact CG1-CB 4.48Å; V410-V412 HydrophobicContact CG1-CG2 4.38Å
411	E	29.8	Very low	44.9	Very low	186 Å²	186	123.2 Å²	123.2	87%	0.869	65%	0.649	S	S	*	*			trans	-113	50.8	173.4	-157.6	169.1	-145.4	0	0	109.8	K409	K409-E411 PolarHBondContact O-N 3.31Å
412	V	36.3	Very low	47.7	Very low	86 Å²	86	119.1 Å²	119.1	52%	0.521	62%	0.615	S	S	.	*			trans	-103.6	1.5	-165	-179.1	0	0	0	0	114.9	V410	V410-V412 HydrophobicContact CG1-CB 4.48Å; V410-V412 HydrophobicContact CG1-CG2 4.38Å
413	K	55.3	Low	50.4	Low	172 Å²	172	111.3 Å²	111.3	75%	0.748	57%	0.573	S	S	*	*	H	α-helix	trans	-87.6	-25.2	-167.7	-69.9	-167.7	173.7	-168.7	0	117.5
414	E	51.3	Low	52.8	Low	154 Å²	154	104.4 Å²	104.4	72%	0.72	54%	0.544	S	S	*	.	H	α-helix	trans	-75.7	-36.7	-173.8	-77.1	-170.3	170.2	0	0	113.5	F417 K418	E414-F417 PolarHBondContact O-N 3.3Å; E414-K418 PolarHBondContact O-N 3.24Å
415	D	69.5	Low	55	Low	111 Å²	111	94.7 Å²	94.7	59%	0.594	50%	0.502	S	S	*	.	H	α-helix	trans	-72.3	-39.9	-176.4	-69.6	-22.8	0	0	0	112.1	F417 K418 I419	D415-F417 VanDerWaalsContact C-N 3.26Å; D415-F417 PolarHBondContact O-N 2.83Å; D415-K418 PolarHBondContact O-N 3.22Å; D415-I419 WeakPolarHBondContact O-CG1 3.49Å; D415-I419 PolarHBondContact O-N 3.04Å; D415-I419 VanDerWaalsContact O-N 3.13Å
416	E	72.4	Confident	57.7	Low	65 Å²	65	88.6 Å²	88.6	30%	0.304	46%	0.459	S	S	.	.	H	α-helix	trans	-61.8	-36	175.2	-72.1	-174.3	160.6	0	0	111.9	I419 L420	E416-I419 PolarHBondContact O-N 3.45Å; E416-L420 WeakPolarHBondContact O-CB 3.32Å; E416-L420 VanDerWaalsContact O-CG 3.26Å; E416-L420 WeakPolarHBondContact O-CG 3.4Å; E416-L420 PolarHBondContact O-N 3.49Å
417	F	68.2	Low	59.7	Low	112 Å²	112	86.7 Å²	86.7	49%	0.491	44%	0.435	S	S	.	.	H	α-helix	trans	-62.4	-45.7	177.1	-174.3	-92.4	0	0	0	111.8	E414 D415 I419 L420 E421	E414-F417 PolarHBondContact O-N 3.3Å; D415-F417 VanDerWaalsContact C-N 3.26Å; D415-F417 PolarHBondContact O-N 2.83Å; F417-I419 VanDerWaalsContact C-N 3.35Å; F417-I419 PolarHBondContact O-N 2.73Å; F417-L420 PolarHBondContact O-N 2.99Å; F417-E421 PolarHBondContact O-N 3.21Å
418	K	75.4	Confident	61.5	Low	111 Å²	111	82.2 Å²	82.2	48%	0.483	40%	0.398	S	S	.	.	H	α-helix	trans	-62.9	-40.7	177.8	-68.9	176.8	-176.1	166.4	0	112.2	E414 D415 L420 E421 F422 L443	E414-K418 PolarHBondContact O-N 3.24Å; D415-K418 PolarHBondContact O-N 3.22Å; K418-L420 VanDerWaalsContact C-N 3.35Å; K418-E421 PolarHBondContact O-N 2.81Å; K418-F422 WeakPolarHBondContact O-CB 3.47Å; K418-F422 PolarHBondContact O-N 3.36Å; K418-L443 HydrophobicContact CB-CD2 4.33Å
419	I	79.8	Confident	63	Low	11 Å²	11	74.4 Å²	74.4	6%	0.056	36%	0.363	C	S	.	.	H	α-helix	trans	-63.5	-43.2	176.5	-63.7	165.8	0	0	0	110.7	D415 E416 F417 F422 L423 L443 D446 S447 L450	D415-I419 WeakPolarHBondContact O-CG1 3.49Å; D415-I419 PolarHBondContact O-N 3.04Å; D415-I419 VanDerWaalsContact O-N 3.13Å; E416-I419 PolarHBondContact O-N 3.45Å; F417-I419 VanDerWaalsContact C-N 3.35Å; F417-I419 PolarHBondContact O-N 2.73Å; I419-F422 WeakPolarHBondContact O-CB 3.13Å; I419-F422 PolarHBondContact O-N 3.41Å; I419-L423 HydrophobicContact CG2-CD1 4.44Å; I419-L423 WeakPolarHBondContact O-CG 3.25Å; I419-L423 PolarHBondContact O-N 2.94Å; I419-L443 HydrophobicContact CG1-CD2 4.41Å; I419-D446 HydrophobicContact CD1-CB 3.81Å; I419-D446 HydrophobicContact CG1-CB 4.01Å; I419-S447 VanDerWaalsContact CG2-CA 3.5Å; I419-L450 HydrophobicContact CB-CD1 3.89Å; I419-L450 HydrophobicContact CG2-CB 4.4Å; I419-L450 HydrophobicContact CG2-CD1 3.6Å; I419-L450 HydrophobicContact CG2-CG 4.05Å
420	L	74	Confident	65.2	Low	17 Å²	17	66.8 Å²	66.8	9%	0.089	33%	0.334	C	S	.	.	H	α-helix	trans	-66.4	-39.8	178.1	-72.2	173.9	0	0	0	112.2	M1 E416 F417 K418 F422 L423 V424 L450	M1-L420 HydrophobicContact CB-CD1 4.19Å; M1-L420 HydrophobicContact CB-CD2 3.68Å; M1-L420 HydrophobicContact CB-CG 4.47Å; E416-L420 WeakPolarHBondContact O-CB 3.32Å; E416-L420 VanDerWaalsContact O-CG 3.26Å; E416-L420 WeakPolarHBondContact O-CG 3.4Å; E416-L420 PolarHBondContact O-N 3.49Å; F417-L420 PolarHBondContact O-N 2.99Å; K418-L420 VanDerWaalsContact C-N 3.35Å; L420-F422 VanDerWaalsContact C-N 3.34Å; L420-L423 PolarHBondContact O-N 3.03Å; L420-V424 WeakPolarHBondContact O-CB 3.5Å; L420-V424 VanDerWaalsContact O-CG2 3.32Å; L420-V424 WeakPolarHBondContact O-CG2 3.26Å; L420-V424 PolarHBondContact O-N 2.69Å; L420-L450 HydrophobicContact CD2-CD1 3.77Å; L420-L450 HydrophobicContact CG-CD1 3.74Å
421	E	75.8	Confident	67.2	Low	68 Å²	68	62.6 Å²	62.6	32%	0.318	31%	0.313	S	S	.	.	H	α-helix	trans	-61.1	-44.4	173.1	-168.1	-167.9	163	0	0	110.8	F417 K418 V424 N425 K432	F417-E421 PolarHBondContact O-N 3.21Å; K418-E421 PolarHBondContact O-N 2.81Å; E421-V424 WeakPolarHBondContact O-CB 3.33Å; E421-V424 PolarHBondContact O-N 3.24Å; E421-N425 VanDerWaalsContact O-CG 3.23Å; E421-N425 PolarHBondContact O-N 2.86Å; E421-N425 PolarHBondContact O-ND2 3.45Å; E421-K432 IonicContact OE1-NZ 2.83Å; E421-K432 PolarHBondContact OE1-NZ 3.36Å
422	F	82.7	Confident	69.3	Low	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-58.6	-51	176	166.7	-110.8	0	0	0	112.4	K418 I419 L420 V424 N425 V426 I437 L443 L444	K418-F422 WeakPolarHBondContact O-CB 3.47Å; K418-F422 PolarHBondContact O-N 3.36Å; I419-F422 WeakPolarHBondContact O-CB 3.13Å; I419-F422 PolarHBondContact O-N 3.41Å; L420-F422 VanDerWaalsContact C-N 3.34Å; F422-V424 PolarHBondContact O-N 3.13Å; F422-N425 PolarHBondContact O-N 2.83Å; F422-V426 HydrophobicContact CD2-CG2 4.07Å; F422-V426 HydrophobicContact CE1-CG2 4.06Å; F422-V426 HydrophobicContact CE2-CG2 3.44Å; F422-V426 VanDerWaalsContact CE2-CG2 3.44Å; F422-V426 HydrophobicContact CZ-CG2 3.44Å; F422-V426 VanDerWaalsContact CZ-CG2 3.44Å; F422-V426 WeakPolarHBondContact O-CG2 3.32Å; F422-V426 PolarHBondContact O-N 3.27Å; F422-I437 HydrophobicContact CE2-CD1 4.03Å; F422-I437 HydrophobicContact CE2-CG1 3.59Å; F422-I437 HydrophobicContact CZ-CD1 4.33Å; F422-I437 HydrophobicContact CZ-CG1 4.09Å; F422-L443 HydrophobicContact CB-CB 4.49Å; F422-L443 HydrophobicContact CB-CD1 4.26Å; F422-L443 HydrophobicContact CD1-CB 4.17Å; F422-L443 HydrophobicContact CD2-CB 4.41Å; F422-L443 HydrophobicContact CG-CB 4.07Å; F422-L443 HydrophobicContact CG-CD1 4.46Å; F422-L444 HydrophobicContact CE1-CD2 4.27Å; F422-L444 HydrophobicContact CZ-CD2 3.7Å; F422-L444 HydrophobicContact CZ-CG 4.12Å
423	L	83	Confident	71.2	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-60.5	-35.2	178.7	-72.8	178.9	0	0	0	112.3	I419 L420 C427 L450 L451 I462	I419-L423 HydrophobicContact CG2-CD1 4.44Å; I419-L423 WeakPolarHBondContact O-CG 3.25Å; I419-L423 PolarHBondContact O-N 2.94Å; L420-L423 PolarHBondContact O-N 3.03Å; L423-C427 PolarHBondContact O-N 3.37Å; L423-C427 PolarHBondContact O-SG 3.45Å; L423-L450 HydrophobicContact CD1-CB 4.5Å; L423-L451 HydrophobicContact CD1-CD2 4.27Å; L423-L451 HydrophobicContact CD2-CD2 4.11Å; L423-I462 HydrophobicContact CB-CD1 4.38Å; L423-I462 HydrophobicContact CD1-CD1 4.31Å; L423-I462 HydrophobicContact CD2-CD1 4.12Å; L423-I462 HydrophobicContact CD2-CG1 4.48Å; L423-I462 HydrophobicContact CD2-CG2 3.93Å
424	V	72.1	Confident	72.6	Confident	38 Å²	38	46.3 Å²	46.3	23%	0.23	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-48.6	171.8	160	0	0	0	0	110.7	L420 E421 F422 V426 C427 Y428	L420-V424 WeakPolarHBondContact O-CB 3.5Å; L420-V424 VanDerWaalsContact O-CG2 3.32Å; L420-V424 WeakPolarHBondContact O-CG2 3.26Å; L420-V424 PolarHBondContact O-N 2.69Å; E421-V424 WeakPolarHBondContact O-CB 3.33Å; E421-V424 PolarHBondContact O-N 3.24Å; F422-V424 PolarHBondContact O-N 3.13Å; V424-V426 VanDerWaalsContact C-N 3.29Å; V424-V426 PolarHBondContact O-N 3.03Å; V424-C427 PolarHBondContact O-N 3.11Å; V424-C427 VanDerWaalsContact O-N 3.12Å; V424-Y428 HydrophobicContact CG1-CD2 4.08Å; V424-Y428 WeakPolarHBondContact O-CD2 3.12Å; V424-Y428 PolarHBondContact O-N 3.29Å
425	N	74	Confident	74.1	Confident	5 Å²	5	43.6 Å²	43.6	3%	0.027	22%	0.221	C	C	.	.	H	α-helix	trans	-62.3	-37.8	179.3	-64.4	-26.5	0	0	0	111.7	E421 F422 C427 Y428 L429 K432 A433 Q436	E421-N425 VanDerWaalsContact O-CG 3.23Å; E421-N425 PolarHBondContact O-N 2.86Å; E421-N425 PolarHBondContact O-ND2 3.45Å; F422-N425 PolarHBondContact O-N 2.83Å; N425-C427 VanDerWaalsContact C-N 3.3Å; N425-C427 PolarHBondContact O-N 3.5Å; N425-Y428 PolarHBondContact O-N 3.01Å; N425-L429 HydrophobicContact CB-CB 4.33Å; N425-L429 CarbonylContact O-C 3.18Å; N425-L429 VanDerWaalsContact O-CA 3.31Å; N425-L429 WeakPolarHBondContact O-CA 3.4Å; N425-L429 PolarHBondContact O-N 2.82Å; N425-L429 VanDerWaalsContact O-O 3.11Å; N425-K432 WeakPolarHBondContact ND2-CE 3.5Å; N425-A433 HydrophobicContact CB-CB 4.28Å; N425-Q436 PolarHBondContact ND2-NE2 2.75Å; N425-Q436 PolarHBondContact ND2-OE1 3.18Å
426	V	78.2	Confident	74.8	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-57.1	-43.1	173.9	168.3	0	0	0	0	111.8	F422 V424 A433 I462 G465 L466	F422-V426 HydrophobicContact CD2-CG2 4.07Å; F422-V426 HydrophobicContact CE1-CG2 4.06Å; F422-V426 HydrophobicContact CE2-CG2 3.44Å; F422-V426 VanDerWaalsContact CE2-CG2 3.44Å; F422-V426 HydrophobicContact CZ-CG2 3.44Å; F422-V426 VanDerWaalsContact CZ-CG2 3.44Å; F422-V426 WeakPolarHBondContact O-CG2 3.32Å; F422-V426 PolarHBondContact O-N 3.27Å; V424-V426 VanDerWaalsContact C-N 3.29Å; V424-V426 PolarHBondContact O-N 3.03Å; V426-A433 HydrophobicContact CG2-CB 4.16Å; V426-I462 HydrophobicContact CG1-CG2 4.36Å; V426-G465 WeakPolarHBondContact O-CA 3.25Å; V426-L466 HydrophobicContact CG1-CD2 3.83Å; V426-L466 HydrophobicContact CG1-CG 3.74Å; V426-L466 HydrophobicContact CG2-CD2 4.24Å
427	C	67.2	Low	75.8	Confident	28 Å²	28	36.6 Å²	36.6	19%	0.189	18%	0.184	C	C	.	.	H	α-helix	trans	-73.1	-35.2	179.9	-68.9	0	0	0	0	114	L423 V424 N425 K461 I462	L423-C427 PolarHBondContact O-N 3.37Å; L423-C427 PolarHBondContact O-SG 3.45Å; V424-C427 PolarHBondContact O-N 3.11Å; V424-C427 VanDerWaalsContact O-N 3.12Å; N425-C427 VanDerWaalsContact C-N 3.3Å; N425-C427 PolarHBondContact O-N 3.5Å; C427-K461 HydrophobicContact CB-CB 4.48Å; C427-K461 VanDerWaalsContact SG-C 3.52Å; C427-I462 VanDerWaalsContact SG-CA 3.53Å; C427-I462 WeakPolarHBondContact SG-CG1 3.36Å; C427-I462 PolarHBondContact SG-N 3.14Å; C427-I462 VanDerWaalsContact SG-N 3.38Å
428	Y	61.1	Low	76.9	Confident	33 Å²	33	36.1 Å²	36.1	13%	0.129	18%	0.184	C	C	.	.	H	α-helix	trans	-126.1	-25.8	-161.6	-52.9	-71.2	0	0	0	114.4	N303 F327 S328 V424 N425	N303-Y428 VanDerWaalsContact ND2-CE1 3.34Å; N303-Y428 WeakPolarHBondContact ND2-CE1 3.11Å; N303-Y428 WeakPolarHBondContact OD1-CD1 3.29Å; F327-Y428 CarbonylContact O-C 3.54Å; F327-Y428 VanDerWaalsContact O-CB 3.23Å; F327-Y428 WeakPolarHBondContact O-CB 3.46Å; F327-Y428 VanDerWaalsContact O-O 3.06Å; S328-Y428 WeakPolarHBondContact CA-O 3.37Å; S328-Y428 WeakPolarHBondContact CB-O 3.48Å; V424-Y428 HydrophobicContact CG1-CD2 4.08Å; V424-Y428 WeakPolarHBondContact O-CD2 3.12Å; V424-Y428 PolarHBondContact O-N 3.29Å; N425-Y428 PolarHBondContact O-N 3.01Å
429	L	61.5	Low	77.6	Confident	24 Å²	24	36.9 Å²	36.9	13%	0.126	19%	0.189	C	C	.	.			trans	-126.5	72	-178.9	-64.1	174.6	0	0	0	111.7	F327 N425 A431 K432 A433	F327-L429 HydrophobicContact CB-CD2 4.31Å; F327-L429 WeakPolarHBondContact O-CD2 3.45Å; F327-L429 WeakPolarHBondContact O-CG 3.44Å; N425-L429 HydrophobicContact CB-CB 4.33Å; N425-L429 CarbonylContact O-C 3.18Å; N425-L429 VanDerWaalsContact O-CA 3.31Å; N425-L429 WeakPolarHBondContact O-CA 3.4Å; N425-L429 PolarHBondContact O-N 2.82Å; N425-L429 VanDerWaalsContact O-O 3.11Å; L429-A431 VanDerWaalsContact C-N 3.27Å; L429-A431 PolarHBondContact O-N 3.48Å; L429-A431 VanDerWaalsContact O-N 3.17Å; L429-K432 HydrophobicContact CB-CB 3.8Å; L429-K432 HydrophobicContact CD1-CB 4.38Å; L429-K432 HydrophobicContact CD1-CD 3.9Å; L429-K432 PolarHBondContact O-N 3.47Å; L429-A433 WeakPolarHBondContact O-CB 3.04Å; L429-A433 PolarHBondContact O-N 3.01Å
430	P	70.9	Confident	78.2	Confident	43 Å²	43	39.1 Å²	39.1	28%	0.279	20%	0.204	S	C	.	.	H	α-helix	trans	-52.1	-41.4	-177.4	-27.9	35.4	0	0	0	113.9	A433 I434 V469	P430-A433 WeakPolarHBondContact O-CB 3.33Å; P430-A433 PolarHBondContact O-N 3.11Å; P430-I434 WeakPolarHBondContact O-CD1 3.42Å; P430-I434 VanDerWaalsContact O-CG1 3.23Å; P430-I434 WeakPolarHBondContact O-CG1 3.29Å; P430-I434 PolarHBondContact O-N 3.37Å; P430-V469 HydrophobicContact CB-CG1 3.86Å
431	A	73.4	Confident	79	Confident	47 Å²	47	40.3 Å²	40.3	39%	0.388	21%	0.212	S	C	.	.	H	α-helix	trans	-63	-45.2	177.6	0	0	0	0	0	112.7	L429 A433 I434 Q435	L429-A431 VanDerWaalsContact C-N 3.27Å; L429-A431 PolarHBondContact O-N 3.48Å; L429-A431 VanDerWaalsContact O-N 3.17Å; A431-A433 VanDerWaalsContact C-N 3.35Å; A431-I434 PolarHBondContact O-N 3.22Å; A431-Q435 PolarHBondContact O-N 2.85Å
432	K	73.2	Confident	79.8	Confident	78 Å²	78	42.9 Å²	42.9	34%	0.339	22%	0.224	S	C	.	.	H	α-helix	trans	-68.1	-36.2	175.8	-169.4	177.5	173	-166.9	0	111.3	E421 N425 L429 Q435 Q436	E421-K432 IonicContact OE1-NZ 2.83Å; E421-K432 PolarHBondContact OE1-NZ 3.36Å; N425-K432 WeakPolarHBondContact ND2-CE 3.5Å; L429-K432 HydrophobicContact CB-CB 3.8Å; L429-K432 HydrophobicContact CD1-CB 4.38Å; L429-K432 HydrophobicContact CD1-CD 3.9Å; L429-K432 PolarHBondContact O-N 3.47Å; K432-Q435 PolarHBondContact O-N 2.89Å; K432-Q436 WeakPolarHBondContact O-CB 3.08Å; K432-Q436 WeakPolarHBondContact O-CG 3.14Å; K432-Q436 PolarHBondContact O-N 3.32Å
433	A	76.9	Confident	80.2	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.9	-44.7	174.4	0	0	0	0	0	111.2	N425 V426 L429 P430 A431 Q435 Q436 I437	N425-A433 HydrophobicContact CB-CB 4.28Å; V426-A433 HydrophobicContact CG2-CB 4.16Å; L429-A433 WeakPolarHBondContact O-CB 3.04Å; L429-A433 PolarHBondContact O-N 3.01Å; P430-A433 WeakPolarHBondContact O-CB 3.33Å; P430-A433 PolarHBondContact O-N 3.11Å; A431-A433 VanDerWaalsContact C-N 3.35Å; A433-Q435 PolarHBondContact O-N 3.27Å; A433-Q436 PolarHBondContact O-N 2.96Å; A433-I437 WeakPolarHBondContact O-CB 3.45Å; A433-I437 WeakPolarHBondContact O-CD1 3.31Å; A433-I437 WeakPolarHBondContact O-CG1 3.09Å; A433-I437 PolarHBondContact O-N 3.4Å
434	I	84.3	Confident	80.6	Confident	23 Å²	23	43.9 Å²	43.9	12%	0.118	23%	0.229	C	C	.	.	H	α-helix	trans	-57	-50.2	174.2	-69.9	155.6	0	0	0	110.1	P430 A431 Q436 I437 Q438 V469 D472 A474 L475	P430-I434 WeakPolarHBondContact O-CD1 3.42Å; P430-I434 VanDerWaalsContact O-CG1 3.23Å; P430-I434 WeakPolarHBondContact O-CG1 3.29Å; P430-I434 PolarHBondContact O-N 3.37Å; A431-I434 PolarHBondContact O-N 3.22Å; I434-Q436 PolarHBondContact O-N 3.33Å; I434-I437 PolarHBondContact O-N 3.02Å; I434-Q438 WeakPolarHBondContact O-CG 3.21Å; I434-Q438 PolarHBondContact O-N 3.46Å; I434-V469 HydrophobicContact CD1-CG1 4.3Å; I434-V469 HydrophobicContact CG1-CB 4.03Å; I434-V469 HydrophobicContact CG1-CG1 4Å; I434-D472 HydrophobicContact CD1-CB 3.95Å; I434-D472 VanDerWaalsContact CD1-OD2 3.29Å; I434-D472 WeakPolarHBondContact CD1-OD2 3.47Å; I434-D472 HydrophobicContact CG1-CB 4.3Å; I434-A474 HydrophobicContact CG2-CB 4.02Å; I434-L475 HydrophobicContact CB-CD1 4.33Å; I434-L475 HydrophobicContact CG1-CD1 3.82Å; I434-L475 HydrophobicContact CG1-CG 4.32Å; I434-L475 HydrophobicContact CG2-CD1 4.4Å; I434-L475 HydrophobicContact CG2-CD2 4.06Å; I434-L475 HydrophobicContact CG2-CG 4.08Å
435	Q	82.7	Confident	81.5	Confident	98 Å²	98	44 Å²	44	46%	0.458	24%	0.238	S	C	.	.	H	α-helix	trans	-58.6	-48.4	177.5	-175.6	-177.9	2	0	0	112.1	A431 K432 A433 I437 Q438 E439	A431-Q435 PolarHBondContact O-N 2.85Å; K432-Q435 PolarHBondContact O-N 2.89Å; A433-Q435 PolarHBondContact O-N 3.27Å; Q435-I437 VanDerWaalsContact C-N 3.33Å; Q435-I437 PolarHBondContact O-N 2.91Å; Q435-Q438 PolarHBondContact O-N 2.94Å; Q435-Q438 VanDerWaalsContact O-N 3.15Å; Q435-E439 HydrophobicContact CG-CG 4.32Å; Q435-E439 WeakPolarHBondContact CG-OE1 3.19Å; Q435-E439 PolarHBondContact NE2-OE1 2.8Å; Q435-E439 WeakPolarHBondContact O-CB 3.21Å; Q435-E439 WeakPolarHBondContact O-CG 3.23Å; Q435-E439 PolarHBondContact O-N 2.81Å
436	Q	85	Confident	82.3	Confident	27 Å²	27	46.3 Å²	46.3	13%	0.126	25%	0.251	C	S	.	.	H	α-helix	trans	-62.9	-38	179.3	-78.4	-174	-29.5	0	0	112.8	N425 K432 A433 I434 Q438 E439 T440	N425-Q436 PolarHBondContact ND2-NE2 2.75Å; N425-Q436 PolarHBondContact ND2-OE1 3.18Å; K432-Q436 WeakPolarHBondContact O-CB 3.08Å; K432-Q436 WeakPolarHBondContact O-CG 3.14Å; K432-Q436 PolarHBondContact O-N 3.32Å; A433-Q436 PolarHBondContact O-N 2.96Å; I434-Q436 PolarHBondContact O-N 3.33Å; Q436-Q438 VanDerWaalsContact C-N 3.29Å; Q436-Q438 PolarHBondContact O-N 3.1Å; Q436-E439 PolarHBondContact O-N 3.39Å; Q436-T440 CarbonylContact O-C 3.59Å; Q436-T440 PolarHBondContact O-N 2.93Å
437	I	91.7	Very high	83	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-65.1	-36.6	176.2	-69.9	165.8	0	0	0	110.5	F422 A433 I434 Q435 P441 L444 V469 L475 L478	F422-I437 HydrophobicContact CE2-CD1 4.03Å; F422-I437 HydrophobicContact CE2-CG1 3.59Å; F422-I437 HydrophobicContact CZ-CD1 4.33Å; F422-I437 HydrophobicContact CZ-CG1 4.09Å; A433-I437 WeakPolarHBondContact O-CB 3.45Å; A433-I437 WeakPolarHBondContact O-CD1 3.31Å; A433-I437 WeakPolarHBondContact O-CG1 3.09Å; A433-I437 PolarHBondContact O-N 3.4Å; I434-I437 PolarHBondContact O-N 3.02Å; Q435-I437 VanDerWaalsContact C-N 3.33Å; Q435-I437 PolarHBondContact O-N 2.91Å; I437-P441 VanDerWaalsContact O-CA 3.32Å; I437-P441 WeakPolarHBondContact O-CA 3.36Å; I437-P441 VanDerWaalsContact O-CG 3.3Å; I437-P441 WeakPolarHBondContact O-CG 3.5Å; I437-L444 HydrophobicContact CD1-CD2 4.41Å; I437-L444 HydrophobicContact CG1-CD1 4.35Å; I437-L444 HydrophobicContact CG1-CG 4.29Å; I437-L444 HydrophobicContact CG2-CD1 3.72Å; I437-L444 HydrophobicContact CG2-CG 4.49Å; I437-V469 HydrophobicContact CD1-CG2 4.34Å; I437-L475 HydrophobicContact CB-CD1 4.47Å; I437-L475 HydrophobicContact CB-CD2 3.97Å; I437-L475 HydrophobicContact CD1-CD1 3.93Å; I437-L475 HydrophobicContact CG2-CD1 4.29Å; I437-L475 HydrophobicContact CG2-CD2 3.63Å; I437-L478 HydrophobicContact CG2-CB 4.35Å; I437-L478 HydrophobicContact CG2-CD1 3.51Å; I437-L478 WeakPolarHBondContact O-CD1 2.99Å
438	Q	91.5	Very high	84.2	Confident	102 Å²	102	47.9 Å²	47.9	48%	0.477	26%	0.255	S	S	.	.	H	α-helix	trans	-71.9	-41.8	175.8	-68.7	-172.3	-54.3	0	0	112.7	I434 Q435 Q436 A474 L475	I434-Q438 WeakPolarHBondContact O-CG 3.21Å; I434-Q438 PolarHBondContact O-N 3.46Å; Q435-Q438 PolarHBondContact O-N 2.94Å; Q435-Q438 VanDerWaalsContact O-N 3.15Å; Q436-Q438 VanDerWaalsContact C-N 3.29Å; Q436-Q438 PolarHBondContact O-N 3.1Å; Q438-A474 PolarHBondContact NE2-O 2.91Å; Q438-L475 HydrophobicContact CG-CD2 3.73Å
439	E	91.3	Very high	85.4	Confident	128 Å²	128	53.2 Å²	53.2	60%	0.598	28%	0.278	S	S	*	.	H	α-helix	trans	-76.1	-34.7	-177	-72.3	177.8	-179	0	0	112.8	Q435 Q436	Q435-E439 HydrophobicContact CG-CG 4.32Å; Q435-E439 WeakPolarHBondContact CG-OE1 3.19Å; Q435-E439 PolarHBondContact NE2-OE1 2.8Å; Q435-E439 WeakPolarHBondContact O-CB 3.21Å; Q435-E439 WeakPolarHBondContact O-CG 3.23Å; Q435-E439 PolarHBondContact O-N 2.81Å; Q436-E439 PolarHBondContact O-N 3.39Å
440	T	91.7	Very high	86.6	Confident	58 Å²	58	52.9 Å²	52.9	36%	0.356	28%	0.277	S	S	.	.			trans	-143.1	73	-177.1	-47.3	0	0	0	0	110.5	Q436 E442 L443	Q436-T440 CarbonylContact O-C 3.59Å; Q436-T440 PolarHBondContact O-N 2.93Å; T440-E442 VanDerWaalsContact CG2-OE2 3.23Å; T440-E442 WeakPolarHBondContact CG2-OE2 3.23Å; T440-E442 PolarHBondContact O-N 3.31Å; T440-E442 VanDerWaalsContact O-N 3.1Å; T440-L443 HydrophobicContact CG2-CD1 4.05Å; T440-L443 HydrophobicContact CG2-CG 3.86Å; T440-L443 WeakPolarHBondContact O-CB 3.21Å; T440-L443 PolarHBondContact O-N 3.41Å; T440-L443 VanDerWaalsContact O-N 3.14Å
441	P	91.6	Very high	87.4	Confident	42 Å²	42	50.9 Å²	50.9	27%	0.273	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.2	-177.2	-20	29.9	0	0	0	114	I437 L443 L444 L478	I437-P441 VanDerWaalsContact O-CA 3.32Å; I437-P441 WeakPolarHBondContact O-CA 3.36Å; I437-P441 VanDerWaalsContact O-CG 3.3Å; I437-P441 WeakPolarHBondContact O-CG 3.5Å; P441-L443 PolarHBondContact O-N 3.44Å; P441-L444 PolarHBondContact O-N 3.48Å; P441-L478 HydrophobicContact CB-CD1 4.12Å; P441-L478 HydrophobicContact CB-CD2 3.99Å; P441-L478 HydrophobicContact CG-CD1 4.21Å
442	E	91.8	Very high	87.9	Confident	122 Å²	122	55.7 Å²	55.7	57%	0.57	28%	0.276	S	S	*	.	H	α-helix	trans	-60.8	-27.3	178.7	-54.9	86.8	-179.6	0	0	112.2	T440 L444 G445 D446	T440-E442 VanDerWaalsContact CG2-OE2 3.23Å; T440-E442 WeakPolarHBondContact CG2-OE2 3.23Å; T440-E442 PolarHBondContact O-N 3.31Å; T440-E442 VanDerWaalsContact O-N 3.1Å; E442-L444 PolarHBondContact O-N 3.28Å; E442-G445 PolarHBondContact O-N 3.22Å; E442-D446 PolarHBondContact O-N 3.5Å
443	L	90.3	Very high	88.2	Confident	21 Å²	21	56.7 Å²	56.7	11%	0.11	29%	0.288	C	S	.	.	H	α-helix	trans	-57.6	-32.6	178.4	-72.8	170.9	0	0	0	113.1	K418 I419 F422 T440 P441 D446 S447	K418-L443 HydrophobicContact CB-CD2 4.33Å; I419-L443 HydrophobicContact CG1-CD2 4.41Å; F422-L443 HydrophobicContact CB-CB 4.49Å; F422-L443 HydrophobicContact CB-CD1 4.26Å; F422-L443 HydrophobicContact CD1-CB 4.17Å; F422-L443 HydrophobicContact CD2-CB 4.41Å; F422-L443 HydrophobicContact CG-CB 4.07Å; F422-L443 HydrophobicContact CG-CD1 4.46Å; T440-L443 HydrophobicContact CG2-CD1 4.05Å; T440-L443 HydrophobicContact CG2-CG 3.86Å; T440-L443 WeakPolarHBondContact O-CB 3.21Å; T440-L443 PolarHBondContact O-N 3.41Å; T440-L443 VanDerWaalsContact O-N 3.14Å; P441-L443 PolarHBondContact O-N 3.44Å; L443-D446 PolarHBondContact O-N 3.21Å; L443-S447 VanDerWaalsContact O-CB 3.24Å; L443-S447 WeakPolarHBondContact O-CB 3.39Å; L443-S447 PolarHBondContact O-N 2.97Å
444	L	92.3	Very high	88.3	Confident	3 Å²	3	57.1 Å²	57.1	2%	0.016	29%	0.291	C	S	.	.	H	α-helix	trans	-60.1	-50.6	174.7	-81.7	166.8	0	0	0	110.3	F422 I437 P441 E442 S447 L466 N481 I482 V485	F422-L444 HydrophobicContact CE1-CD2 4.27Å; F422-L444 HydrophobicContact CZ-CD2 3.7Å; F422-L444 HydrophobicContact CZ-CG 4.12Å; I437-L444 HydrophobicContact CD1-CD2 4.41Å; I437-L444 HydrophobicContact CG1-CD1 4.35Å; I437-L444 HydrophobicContact CG1-CG 4.29Å; I437-L444 HydrophobicContact CG2-CD1 3.72Å; I437-L444 HydrophobicContact CG2-CG 4.49Å; P441-L444 PolarHBondContact O-N 3.48Å; E442-L444 PolarHBondContact O-N 3.28Å; L444-S447 PolarHBondContact O-N 3.15Å; L444-S447 PolarHBondContact O-OG 3.33Å; L444-L466 HydrophobicContact CD2-CD2 4.11Å; L444-N481 HydrophobicContact CD1-CB 3.97Å; L444-I482 HydrophobicContact CD1-CG1 3.9Å; L444-I482 HydrophobicContact CD2-CG1 4.15Å; L444-V485 HydrophobicContact CB-CG2 4.2Å; L444-V485 HydrophobicContact CD2-CG2 4.07Å; L444-V485 WeakPolarHBondContact O-CG2 3.5Å
445	G	90.7	Very high	87.8	Confident	41 Å²	41	61.4 Å²	61.4	42%	0.423	31%	0.306	S	S	.	.	H	α-helix	trans	-64.6	-44.1	179.4	0	0	0	0	0	112.4	E442 S447 K448	E442-G445 PolarHBondContact O-N 3.22Å; G445-S447 VanDerWaalsContact C-N 3.3Å; G445-S447 PolarHBondContact O-N 3.43Å; G445-K448 WeakPolarHBondContact O-CB 3.34Å; G445-K448 PolarHBondContact O-N 2.76Å
446	D	91.4	Very high	87.4	Confident	54 Å²	54	58.6 Å²	58.6	29%	0.289	30%	0.296	S	S	.	.	H	α-helix	trans	-66.1	-32.7	179.6	-76.6	-35.8	0	0	0	112.9	I419 E442 L443 K448 K449	I419-D446 HydrophobicContact CD1-CB 3.81Å; I419-D446 HydrophobicContact CG1-CB 4.01Å; E442-D446 PolarHBondContact O-N 3.5Å; L443-D446 PolarHBondContact O-N 3.21Å; D446-K448 PolarHBondContact O-N 3.05Å; D446-K448 VanDerWaalsContact O-N 3.15Å; D446-K449 WeakPolarHBondContact O-CB 3.37Å; D446-K449 WeakPolarHBondContact O-CG 3.4Å; D446-K449 PolarHBondContact O-N 3.45Å; D446-K449 VanDerWaalsContact O-N 3.07Å; D446-K449 IonicContact OD1-NZ 3.58Å; D446-K449 PolarHBondContact OD1-NZ 2.86Å
447	S	91.8	Very high	86.9	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-59.1	-29.5	179.6	76.9	0	0	0	0	114.2	I419 L443 L444 G445 K449 L450 L451	I419-S447 VanDerWaalsContact CG2-CA 3.5Å; L443-S447 VanDerWaalsContact O-CB 3.24Å; L443-S447 WeakPolarHBondContact O-CB 3.39Å; L443-S447 PolarHBondContact O-N 2.97Å; L444-S447 PolarHBondContact O-N 3.15Å; L444-S447 PolarHBondContact O-OG 3.33Å; G445-S447 VanDerWaalsContact C-N 3.3Å; G445-S447 PolarHBondContact O-N 3.43Å; S447-K449 PolarHBondContact O-N 3.38Å; S447-K449 VanDerWaalsContact O-N 3.1Å; S447-L450 PolarHBondContact O-N 3.3Å; S447-L451 PolarHBondContact O-N 3.05Å
448	K	92.3	Very high	86.3	Confident	61 Å²	61	60.9 Å²	60.9	27%	0.265	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-29.2	176.6	-60.8	-178.5	-174.9	176	0	112.9	G445 D446 L450 E484 V485	G445-K448 WeakPolarHBondContact O-CB 3.34Å; G445-K448 PolarHBondContact O-N 2.76Å; D446-K448 PolarHBondContact O-N 3.05Å; D446-K448 VanDerWaalsContact O-N 3.15Å; K448-L450 VanDerWaalsContact C-N 3.31Å; K448-L450 PolarHBondContact O-N 2.82Å; K448-E484 IonicContact NZ-OE2 3.02Å; K448-E484 PolarHBondContact NZ-OE2 3.47Å; K448-V485 HydrophobicContact CG-CG2 4.14Å
449	K	87.8	Confident	86	Confident	144 Å²	144	56 Å²	56	63%	0.626	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-35	179.2	-64	167.2	-179.1	161.1	0	112	D446 S447	D446-K449 WeakPolarHBondContact O-CB 3.37Å; D446-K449 WeakPolarHBondContact O-CG 3.4Å; D446-K449 PolarHBondContact O-N 3.45Å; D446-K449 VanDerWaalsContact O-N 3.07Å; D446-K449 IonicContact OD1-NZ 3.58Å; D446-K449 PolarHBondContact OD1-NZ 2.86Å; S447-K449 PolarHBondContact O-N 3.38Å; S447-K449 VanDerWaalsContact O-N 3.1Å
450	L	86.5	Confident	85.6	Confident	18 Å²	18	50 Å²	50	9%	0.094	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-16.2	-176.4	-62.2	-171.5	0	0	0	113.5	I419 L420 L423 S447 K448 K452 T453	I419-L450 HydrophobicContact CB-CD1 3.89Å; I419-L450 HydrophobicContact CG2-CB 4.4Å; I419-L450 HydrophobicContact CG2-CD1 3.6Å; I419-L450 HydrophobicContact CG2-CG 4.05Å; L420-L450 HydrophobicContact CD2-CD1 3.77Å; L420-L450 HydrophobicContact CG-CD1 3.74Å; L423-L450 HydrophobicContact CD1-CB 4.5Å; S447-L450 PolarHBondContact O-N 3.3Å; K448-L450 VanDerWaalsContact C-N 3.31Å; K448-L450 PolarHBondContact O-N 2.82Å; L450-K452 PolarHBondContact O-N 3.17Å; L450-T453 PolarHBondContact O-N 2.75Å; L450-T453 PolarHBondContact O-OG1 3.33Å
451	L	87.4	Confident	85.1	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-55.6	-29.4	-178.7	-65.2	-178.3	0	0	0	113.8	L423 S447 T453 V454 L459 I462 V485 E488 I492	L423-L451 HydrophobicContact CD1-CD2 4.27Å; L423-L451 HydrophobicContact CD2-CD2 4.11Å; S447-L451 PolarHBondContact O-N 3.05Å; L451-T453 VanDerWaalsContact C-N 3.26Å; L451-T453 PolarHBondContact O-N 3.44Å; L451-V454 PolarHBondContact O-N 2.92Å; L451-L459 HydrophobicContact CB-CD2 4.06Å; L451-L459 HydrophobicContact CD2-CD2 3.96Å; L451-I462 HydrophobicContact CD2-CD1 4.14Å; L451-I462 HydrophobicContact CD2-CG2 4.36Å; L451-V485 HydrophobicContact CD1-CG1 4.01Å; L451-E488 HydrophobicContact CD1-CB 4.08Å; L451-E488 HydrophobicContact CD1-CG 3.82Å; L451-I492 HydrophobicContact CB-CD1 3.51Å
452	K	84.4	Confident	84.9	Confident	149 Å²	149	49 Å²	49	65%	0.648	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-71.1	-18.2	178.3	-65.9	178	-175.5	170.6	0	113.9	L450 I492	L450-K452 PolarHBondContact O-N 3.17Å; K452-I492 HydrophobicContact CG-CD1 3.81Å; K452-I492 HydrophobicContact CG-CG1 4.4Å
453	T	79.8	Confident	84.8	Confident	98 Å²	98	43.2 Å²	43.2	60%	0.601	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-92.2	-11.5	176.7	69.9	0	0	0	0	112	L450 L451	L450-T453 PolarHBondContact O-N 2.75Å; L450-T453 PolarHBondContact O-OG1 3.33Å; L451-T453 VanDerWaalsContact C-N 3.26Å; L451-T453 PolarHBondContact O-N 3.44Å
454	V	77.1	Confident	84.7	Confident	9 Å²	9	43.3 Å²	43.3	6%	0.055	22%	0.215	C	C	.	.	S	Bend	trans	-81.3	138.3	-177.7	-175.9	0	0	0	0	110.9	M1 L451 D458 L459 I462	M1-V454 HydrophobicContact CE-CG1 4.24Å; M1-V454 HydrophobicContact CE-CG2 4.07Å; M1-V454 HydrophobicContact SD-CG2 4.39Å; L451-V454 PolarHBondContact O-N 2.92Å; V454-D458 HydrophobicContact CG1-CB 3.52Å; V454-L459 HydrophobicContact CB-CD2 4.03Å; V454-L459 HydrophobicContact CB-CG 3.89Å; V454-L459 HydrophobicContact CG1-CD2 4.25Å; V454-L459 HydrophobicContact CG1-CG 3.87Å; V454-I462 HydrophobicContact CG1-CD1 3.94Å; V454-I462 HydrophobicContact CG2-CD1 4.27Å
455	R	75.7	Confident	84.4	Confident	114 Å²	114	43.2 Å²	43.2	43%	0.43	22%	0.215	S	C	.	.			trans	-65.8	150.4	176.5	-61.6	179.7	-58.9	-172.3	0.2	111	Q457 D458 L459	R455-Q457 VanDerWaalsContact C-N 3.29Å; R455-Q457 HydrophobicContact CB-CG 4.3Å; R455-Q457 VanDerWaalsContact CZ-NE2 3.28Å; R455-Q457 PolarHBondContact O-N 3.45Å; R455-Q457 VanDerWaalsContact O-N 3.17Å; R455-D458 IonicContact CZ-OD2 3.53Å; R455-D458 VanDerWaalsContact CZ-OD2 3.28Å; R455-D458 IonicContact NE-OD2 3.64Å; R455-D458 PolarHBondContact NE-OD2 3.49Å; R455-D458 IonicContact NH2-OD1 3.57Å; R455-D458 IonicContact NH2-OD2 2.73Å; R455-D458 PolarHBondContact NH2-OD2 3.25Å; R455-D458 PolarHBondContact O-N 3.09Å; R455-L459 PolarHBondContact O-N 3.18Å
456	P	73.9	Confident	84.4	Confident	39 Å²	39	41.3 Å²	41.3	25%	0.253	20%	0.195	S	C	.	.	H	α-helix	trans	-57.6	-37.6	-175.3	-26.4	36.1	0	0	0	114.5	D458 L459 A460 T496 F503	P456-D458 VanDerWaalsContact C-N 3.34Å; P456-D458 PolarHBondContact O-N 3.23Å; P456-L459 WeakPolarHBondContact O-CB 3.39Å; P456-L459 PolarHBondContact O-N 3.01Å; P456-A460 PolarHBondContact O-N 3.05Å; P456-A460 VanDerWaalsContact O-N 3.08Å; P456-T496 VanDerWaalsContact CG-CB 3.48Å; P456-T496 HydrophobicContact CG-CG2 4.14Å; P456-T496 WeakPolarHBondContact CG-OG1 3.37Å; P456-F503 WeakPolarHBondContact O-CE2 3.15Å
457	Q	74.2	Confident	84.2	Confident	63 Å²	63	38.8 Å²	38.8	29%	0.294	18%	0.182	S	C	.	.	H	α-helix	trans	-64.5	-37.4	176.4	67.3	-163.9	24.9	0	0	112.7	R455 K461 W506	R455-Q457 VanDerWaalsContact C-N 3.29Å; R455-Q457 HydrophobicContact CB-CG 4.3Å; R455-Q457 VanDerWaalsContact CZ-NE2 3.28Å; R455-Q457 PolarHBondContact O-N 3.45Å; R455-Q457 VanDerWaalsContact O-N 3.17Å; Q457-K461 PolarHBondContact O-N 3.44Å; Q457-W506 HydrophobicContact CB-CD2 3.95Å; Q457-W506 HydrophobicContact CB-CE3 3.82Å; Q457-W506 HydrophobicContact CB-CH2 4.1Å; Q457-W506 HydrophobicContact CB-CZ2 4.21Å; Q457-W506 HydrophobicContact CB-CZ3 3.9Å
458	D	78.4	Confident	83.9	Confident	12 Å²	12	39.5 Å²	39.5	6%	0.064	19%	0.187	C	C	.	.	H	α-helix	trans	-78.5	-33.8	179.6	-62.3	-47.7	0	0	0	109.8	V454 R455 P456 A460 K461 I462	V454-D458 HydrophobicContact CG1-CB 3.52Å; R455-D458 IonicContact CZ-OD2 3.53Å; R455-D458 VanDerWaalsContact CZ-OD2 3.28Å; R455-D458 IonicContact NE-OD2 3.64Å; R455-D458 PolarHBondContact NE-OD2 3.49Å; R455-D458 IonicContact NH2-OD1 3.57Å; R455-D458 IonicContact NH2-OD2 2.73Å; R455-D458 PolarHBondContact NH2-OD2 3.25Å; R455-D458 PolarHBondContact O-N 3.09Å; P456-D458 VanDerWaalsContact C-N 3.34Å; P456-D458 PolarHBondContact O-N 3.23Å; D458-A460 VanDerWaalsContact C-N 3.3Å; D458-A460 PolarHBondContact O-N 2.91Å; D458-K461 WeakPolarHBondContact O-CB 3.18Å; D458-K461 PolarHBondContact O-N 3.42Å; D458-K461 VanDerWaalsContact O-N 3.15Å; D458-I462 WeakPolarHBondContact O-CG1 3.42Å; D458-I462 PolarHBondContact O-N 3.38Å
459	L	85.1	Confident	83.6	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-59	-39.2	169.8	-80.8	169.8	0	0	0	112.6	L451 V454 R455 P456 K461 I462 A463 C489 I492 F503	L451-L459 HydrophobicContact CB-CD2 4.06Å; L451-L459 HydrophobicContact CD2-CD2 3.96Å; V454-L459 HydrophobicContact CB-CD2 4.03Å; V454-L459 HydrophobicContact CB-CG 3.89Å; V454-L459 HydrophobicContact CG1-CD2 4.25Å; V454-L459 HydrophobicContact CG1-CG 3.87Å; R455-L459 PolarHBondContact O-N 3.18Å; P456-L459 WeakPolarHBondContact O-CB 3.39Å; P456-L459 PolarHBondContact O-N 3.01Å; L459-K461 VanDerWaalsContact C-N 3.33Å; L459-I462 PolarHBondContact O-N 3.48Å; L459-A463 WeakPolarHBondContact O-CB 3.03Å; L459-A463 PolarHBondContact O-N 2.85Å; L459-C489 HydrophobicContact CD2-CB 4.42Å; L459-I492 HydrophobicContact CD1-CB 4.06Å; L459-I492 HydrophobicContact CD1-CG2 3.47Å; L459-I492 VanDerWaalsContact CD1-CG2 3.47Å; L459-F503 HydrophobicContact CB-CE2 4.07Å; L459-F503 HydrophobicContact CB-CZ 4.35Å
460	A	83.2	Confident	83.6	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65	-37.5	175.5	0	0	0	0	0	112	P456 D458 A463 F464 F503 W506 L507	P456-A460 PolarHBondContact O-N 3.05Å; P456-A460 VanDerWaalsContact O-N 3.08Å; D458-A460 VanDerWaalsContact C-N 3.3Å; D458-A460 PolarHBondContact O-N 2.91Å; A460-A463 PolarHBondContact O-N 3.16Å; A460-F464 WeakPolarHBondContact O-CB 3.44Å; A460-F464 PolarHBondContact O-N 2.96Å; A460-F503 HydrophobicContact CB-CE2 3.92Å; A460-F503 HydrophobicContact CB-CZ 4.24Å; A460-W506 HydrophobicContact CB-CB 3.52Å; A460-L507 HydrophobicContact CB-CD2 4.15Å; A460-L507 HydrophobicContact CB-CG 4.47Å
461	K	82.1	Confident	83.5	Confident	77 Å²	77	30.1 Å²	30.1	34%	0.335	15%	0.148	S	C	.	.	H	α-helix	trans	-66.8	-39.1	173.5	-66.6	-179.6	178.8	-176.1	0	112.3	C427 Q457 D458 L459 F464 G465	C427-K461 HydrophobicContact CB-CB 4.48Å; C427-K461 VanDerWaalsContact SG-C 3.52Å; Q457-K461 PolarHBondContact O-N 3.44Å; D458-K461 WeakPolarHBondContact O-CB 3.18Å; D458-K461 PolarHBondContact O-N 3.42Å; D458-K461 VanDerWaalsContact O-N 3.15Å; L459-K461 VanDerWaalsContact C-N 3.33Å; K461-F464 PolarHBondContact O-N 3.01Å; K461-G465 PolarHBondContact O-N 3.3Å
462	I	87.1	Confident	83.5	Confident	4 Å²	4	32.4 Å²	32.4	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-63.8	-48.8	174.9	-66.2	166.3	0	0	0	109.6	L423 V426 C427 L451 V454 D458 L459 F464 G465 L466	L423-I462 HydrophobicContact CB-CD1 4.38Å; L423-I462 HydrophobicContact CD1-CD1 4.31Å; L423-I462 HydrophobicContact CD2-CD1 4.12Å; L423-I462 HydrophobicContact CD2-CG1 4.48Å; L423-I462 HydrophobicContact CD2-CG2 3.93Å; V426-I462 HydrophobicContact CG1-CG2 4.36Å; C427-I462 VanDerWaalsContact SG-CA 3.53Å; C427-I462 WeakPolarHBondContact SG-CG1 3.36Å; C427-I462 PolarHBondContact SG-N 3.14Å; C427-I462 VanDerWaalsContact SG-N 3.38Å; L451-I462 HydrophobicContact CD2-CD1 4.14Å; L451-I462 HydrophobicContact CD2-CG2 4.36Å; V454-I462 HydrophobicContact CG1-CD1 3.94Å; V454-I462 HydrophobicContact CG2-CD1 4.27Å; D458-I462 WeakPolarHBondContact O-CG1 3.42Å; D458-I462 PolarHBondContact O-N 3.38Å; L459-I462 PolarHBondContact O-N 3.48Å; I462-F464 VanDerWaalsContact C-N 3.31Å; I462-F464 PolarHBondContact O-N 2.9Å; I462-G465 PolarHBondContact O-N 3.48Å; I462-L466 HydrophobicContact CG2-CD1 3.99Å; I462-L466 HydrophobicContact CG2-CG 4.37Å; I462-L466 WeakPolarHBondContact O-CG 3.31Å; I462-L466 PolarHBondContact O-N 3.06Å
463	A	89.6	Confident	83.6	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-56.2	-47.5	177.3	0	0	0	0	0	111.3	L459 A460 L466 G467 F486 C489 L507 M531	L459-A463 WeakPolarHBondContact O-CB 3.03Å; L459-A463 PolarHBondContact O-N 2.85Å; A460-A463 PolarHBondContact O-N 3.16Å; A463-L466 PolarHBondContact O-N 3.03Å; A463-G467 PolarHBondContact O-N 3Å; A463-F486 HydrophobicContact CB-CD2 3.78Å; A463-F486 HydrophobicContact CB-CE2 3.88Å; A463-C489 HydrophobicContact CB-CB 3.95Å; A463-L507 HydrophobicContact CB-CD2 3.84Å; A463-M531 HydrophobicContact CB-SD 4.49Å
464	F	86.8	Confident	83.9	Confident	22 Å²	22	27.7 Å²	27.7	10%	0.096	15%	0.153	C	C	.	.	H	α-helix	trans	-55.4	-51.7	173.9	179.9	-95.3	0	0	0	112.4	A460 K461 I462 L466 G467 S468 F511 A514 M520 A528 M531	A460-F464 WeakPolarHBondContact O-CB 3.44Å; A460-F464 PolarHBondContact O-N 2.96Å; K461-F464 PolarHBondContact O-N 3.01Å; I462-F464 VanDerWaalsContact C-N 3.31Å; I462-F464 PolarHBondContact O-N 2.9Å; F464-L466 PolarHBondContact O-N 3.03Å; F464-G467 PolarHBondContact O-N 3.34Å; F464-S468 PolarHBondContact O-N 3.05Å; F464-S468 PolarHBondContact O-OG 2.86Å; F464-F511 HydrophobicContact CD2-CB 4.23Å; F464-F511 HydrophobicContact CE2-CB 3.97Å; F464-F511 AromaticContact CE2-CD2 3.89Å; F464-F511 HydrophobicContact CE2-CD2 3.89Å; F464-F511 HydrophobicContact CE2-CG 4.34Å; F464-A514 HydrophobicContact CE1-CB 3.76Å; F464-A514 HydrophobicContact CE2-CB 4.37Å; F464-A514 HydrophobicContact CZ-CB 3.42Å; F464-A514 VanDerWaalsContact CZ-CB 3.42Å; F464-M520 HydrophobicContact CZ-SD 4.32Å; F464-A528 HydrophobicContact CE2-CB 3.84Å; F464-A528 HydrophobicContact CZ-CB 4.38Å; F464-M531 WeakPolarHBondContact CA-SD 3.41Å; F464-M531 HydrophobicContact CB-SD 4.39Å; F464-M531 HydrophobicContact CD2-CE 4.07Å
465	G	86.1	Confident	84.5	Confident	2 Å²	2	27.3 Å²	27.3	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-58.5	-44.2	179	0	0	0	0	0	113.5	V426 K461 I462 G467 S468 V469	V426-G465 WeakPolarHBondContact O-CA 3.25Å; K461-G465 PolarHBondContact O-N 3.3Å; I462-G465 PolarHBondContact O-N 3.48Å; G465-G467 VanDerWaalsContact C-N 3.35Å; G465-G467 PolarHBondContact O-N 3.38Å; G465-S468 PolarHBondContact O-N 3.19Å; G465-V469 PolarHBondContact O-N 3.04Å; G465-V469 VanDerWaalsContact O-N 3.09Å
466	L	90.7	Very high	85.2	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-60.2	-44.9	175.4	-69.9	170.2	0	0	0	111.5	V426 L444 I462 A463 F464 V469 S470 I482 V485 F486	V426-L466 HydrophobicContact CG1-CD2 3.83Å; V426-L466 HydrophobicContact CG1-CG 3.74Å; V426-L466 HydrophobicContact CG2-CD2 4.24Å; L444-L466 HydrophobicContact CD2-CD2 4.11Å; I462-L466 HydrophobicContact CG2-CD1 3.99Å; I462-L466 HydrophobicContact CG2-CG 4.37Å; I462-L466 WeakPolarHBondContact O-CG 3.31Å; I462-L466 PolarHBondContact O-N 3.06Å; A463-L466 PolarHBondContact O-N 3.03Å; F464-L466 PolarHBondContact O-N 3.03Å; L466-V469 WeakPolarHBondContact O-CG2 3.42Å; L466-V469 PolarHBondContact O-N 2.93Å; L466-S470 WeakPolarHBondContact O-CB 3.4Å; L466-S470 PolarHBondContact O-N 3.47Å; L466-I482 HydrophobicContact CB-CG2 3.95Å; L466-I482 HydrophobicContact CD2-CG2 4.11Å; L466-I482 WeakPolarHBondContact O-CG2 3.2Å; L466-V485 HydrophobicContact CD1-CB 3.87Å; L466-V485 HydrophobicContact CD1-CG1 3.6Å; L466-F486 HydrophobicContact CB-CB 4.43Å; L466-F486 HydrophobicContact CD1-CB 4.22Å
467	G	89.2	Confident	86.1	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.6	-44.7	174.5	0	0	0	0	0	112.2	A463 F464 G465 V469 S470 G527	A463-G467 PolarHBondContact O-N 3Å; F464-G467 PolarHBondContact O-N 3.34Å; G465-G467 VanDerWaalsContact C-N 3.35Å; G465-G467 PolarHBondContact O-N 3.38Å; G467-V469 PolarHBondContact O-N 3.32Å; G467-S470 PolarHBondContact O-N 3.49Å; G467-S470 PolarHBondContact O-OG 3.36Å; G467-G527 CarbonylContact O-C 3.45Å; G467-G527 WeakPolarHBondContact O-CA 3.32Å
468	S	84.3	Confident	87	Confident	15 Å²	15	31.7 Å²	31.7	11%	0.105	18%	0.179	C	C	.	.	H	α-helix	trans	-60.6	-45.6	178.8	-63.9	0	0	0	0	112.5	F464 G465 S471	F464-S468 PolarHBondContact O-N 3.05Å; F464-S468 PolarHBondContact O-OG 2.86Å; G465-S468 PolarHBondContact O-N 3.19Å; S468-S471 PolarHBondContact O-OG 3.21Å
469	V	86.9	Confident	87.7	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.012	19%	0.185	C	C	.	.	H	α-helix	trans	-76.8	-20.3	-178.4	-58.7	0	0	0	0	113.7	P430 I434 I437 G465 L466 G467 S471 D472 L475	P430-V469 HydrophobicContact CB-CG1 3.86Å; I434-V469 HydrophobicContact CD1-CG1 4.3Å; I434-V469 HydrophobicContact CG1-CB 4.03Å; I434-V469 HydrophobicContact CG1-CG1 4Å; I437-V469 HydrophobicContact CD1-CG2 4.34Å; G465-V469 PolarHBondContact O-N 3.04Å; G465-V469 VanDerWaalsContact O-N 3.09Å; L466-V469 WeakPolarHBondContact O-CG2 3.42Å; L466-V469 PolarHBondContact O-N 2.93Å; G467-V469 PolarHBondContact O-N 3.32Å; V469-S471 PolarHBondContact O-N 3.28Å; V469-D472 WeakPolarHBondContact O-CB 3.39Å; V469-D472 PolarHBondContact O-N 2.87Å; V469-L475 HydrophobicContact CB-CD1 4.09Å; V469-L475 HydrophobicContact CG2-CD1 4.21Å
470	S	88.2	Confident	88	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.014	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-11.6	-177.8	74.5	0	0	0	0	114.6	L466 G467 K479 W483	L466-S470 WeakPolarHBondContact O-CB 3.4Å; L466-S470 PolarHBondContact O-N 3.47Å; G467-S470 PolarHBondContact O-N 3.49Å; G467-S470 PolarHBondContact O-OG 3.36Å; S470-K479 WeakPolarHBondContact O-CE 3.33Å; S470-W483 WeakPolarHBondContact OG-CZ2 3.32Å
471	S	84.3	Confident	88.6	Confident	22 Å²	22	42.6 Å²	42.6	15%	0.154	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-6.7	177.2	61.8	0	0	0	0	113.4	S468 V469 E523 G524	S468-S471 PolarHBondContact O-OG 3.21Å; V469-S471 PolarHBondContact O-N 3.28Å; S471-E523 WeakPolarHBondContact CB-O 3.45Å; S471-E523 PolarHBondContact OG-O 3.45Å; S471-G524 WeakPolarHBondContact OG-CA 3.37Å
472	D	85.7	Confident	89.2	Confident	49 Å²	49	39 Å²	39	26%	0.262	22%	0.219	S	C	.	.			trans	-74.8	127.5	179.4	-162.5	-60.8	0	0	0	111.3	I434 V469 A474 L475	I434-D472 HydrophobicContact CD1-CB 3.95Å; I434-D472 VanDerWaalsContact CD1-OD2 3.29Å; I434-D472 WeakPolarHBondContact CD1-OD2 3.47Å; I434-D472 HydrophobicContact CG1-CB 4.3Å; V469-D472 WeakPolarHBondContact O-CB 3.39Å; V469-D472 PolarHBondContact O-N 2.87Å; D472-A474 PolarHBondContact O-N 3.36Å; D472-A474 VanDerWaalsContact O-N 3.13Å; D472-A474 WeakPolarHBondContact OD1-CB 3.4Å; D472-A474 PolarHBondContact OD1-N 2.98Å; D472-L475 PolarHBondContact O-N 3.31Å
473	S	86.3	Confident	89.5	Confident	107 Å²	107	39.9 Å²	39.9	75%	0.748	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-57.6	-26.4	178.9	63.9	0	0	0	0	114	L475 E476	S473-L475 PolarHBondContact O-N 3.19Å; S473-E476 PolarHBondContact O-N 3.18Å
474	A	87.5	Confident	89.7	Confident	40 Å²	40	44.9 Å²	44.9	33%	0.331	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-68.2	-20.9	178.4	0	0	0	0	0	112.6	I434 Q438 D472	I434-A474 HydrophobicContact CG2-CB 4.02Å; Q438-A474 PolarHBondContact NE2-O 2.91Å; D472-A474 PolarHBondContact O-N 3.36Å; D472-A474 VanDerWaalsContact O-N 3.13Å; D472-A474 WeakPolarHBondContact OD1-CB 3.4Å; D472-A474 PolarHBondContact OD1-N 2.98Å
475	L	90.2	Very high	90.1	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-108.7	9.6	-177	-58.2	-171.2	0	0	0	113.6	I434 I437 Q438 V469 D472 S473 N477 L478 K479 I482	I434-L475 HydrophobicContact CB-CD1 4.33Å; I434-L475 HydrophobicContact CG1-CD1 3.82Å; I434-L475 HydrophobicContact CG1-CG 4.32Å; I434-L475 HydrophobicContact CG2-CD1 4.4Å; I434-L475 HydrophobicContact CG2-CD2 4.06Å; I434-L475 HydrophobicContact CG2-CG 4.08Å; I437-L475 HydrophobicContact CB-CD1 4.47Å; I437-L475 HydrophobicContact CB-CD2 3.97Å; I437-L475 HydrophobicContact CD1-CD1 3.93Å; I437-L475 HydrophobicContact CG2-CD1 4.29Å; I437-L475 HydrophobicContact CG2-CD2 3.63Å; Q438-L475 HydrophobicContact CG-CD2 3.73Å; V469-L475 HydrophobicContact CB-CD1 4.09Å; V469-L475 HydrophobicContact CG2-CD1 4.21Å; D472-L475 PolarHBondContact O-N 3.31Å; S473-L475 PolarHBondContact O-N 3.19Å; L475-N477 VanDerWaalsContact C-N 3.26Å; L475-N477 PolarHBondContact O-N 3.17Å; L475-N477 VanDerWaalsContact O-N 3.16Å; L475-L478 CarbonylContact O-C 3.38Å; L475-L478 WeakPolarHBondContact O-CA 3.27Å; L475-L478 PolarHBondContact O-N 3.28Å; L475-K479 PolarHBondContact O-N 2.94Å; L475-I482 HydrophobicContact CB-CD1 4Å; L475-I482 HydrophobicContact CD1-CD1 3.71Å; L475-I482 HydrophobicContact CG-CD1 4.48Å
476	E	89.8	Confident	90.5	Very high	112 Å²	112	43.7 Å²	43.7	52%	0.523	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-54.8	-40.1	-174.5	-170.6	64.3	-161.5	0	0	112.7	S473 L478 K479	S473-E476 PolarHBondContact O-N 3.18Å; E476-L478 PolarHBondContact O-N 2.97Å; E476-K479 WeakPolarHBondContact O-CB 3.45Å; E476-K479 PolarHBondContact O-N 3.42Å
477	N	92.4	Very high	90.6	Very high	166 Å²	166	45.8 Å²	45.8	89%	0.888	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-73.1	-12.1	178.2	-63.9	-27.6	0	0	0	114.2	L475	L475-N477 VanDerWaalsContact C-N 3.26Å; L475-N477 PolarHBondContact O-N 3.17Å; L475-N477 VanDerWaalsContact O-N 3.16Å
478	L	93.6	Very high	90.8	Very high	30 Å²	30	47.7 Å²	47.7	16%	0.157	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-114	4.6	-178.4	-66.1	171.6	0	0	0	112.1	I437 P441 L475 E476 D480 N481 I482	I437-L478 HydrophobicContact CG2-CB 4.35Å; I437-L478 HydrophobicContact CG2-CD1 3.51Å; I437-L478 WeakPolarHBondContact O-CD1 2.99Å; P441-L478 HydrophobicContact CB-CD1 4.12Å; P441-L478 HydrophobicContact CB-CD2 3.99Å; P441-L478 HydrophobicContact CG-CD1 4.21Å; L475-L478 CarbonylContact O-C 3.38Å; L475-L478 WeakPolarHBondContact O-CA 3.27Å; L475-L478 PolarHBondContact O-N 3.28Å; E476-L478 PolarHBondContact O-N 2.97Å; L478-D480 VanDerWaalsContact C-N 3.31Å; L478-D480 PolarHBondContact O-N 3.21Å; L478-N481 WeakPolarHBondContact O-CB 3.42Å; L478-N481 PolarHBondContact O-N 2.81Å; L478-I482 WeakPolarHBondContact O-CG1 2.86Å; L478-I482 PolarHBondContact O-N 2.77Å
479	K	91.9	Very high	91.1	Very high	47 Å²	47	47 Å²	47	20%	0.204	26%	0.255	C	S	.	.	H	α-helix	trans	-57.6	-42.4	-175.2	-169.3	167.7	-174.3	166.8	0	112.5	S470 L475 E476 N481 I482 W483 E530	S470-K479 WeakPolarHBondContact O-CE 3.33Å; L475-K479 PolarHBondContact O-N 2.94Å; E476-K479 WeakPolarHBondContact O-CB 3.45Å; E476-K479 PolarHBondContact O-N 3.42Å; K479-N481 VanDerWaalsContact C-N 3.34Å; K479-N481 PolarHBondContact O-N 3.09Å; K479-I482 PolarHBondContact O-N 3.07Å; K479-W483 PolarHBondContact O-N 2.89Å; K479-E530 IonicContact NZ-OE2 3.78Å
480	D	93.2	Very high	91.2	Very high	128 Å²	128	46.9 Å²	46.9	68%	0.684	25%	0.254	S	S	*	.	H	α-helix	trans	-62.3	-41.6	177	-68.3	-21.5	0	0	0	111.7	L478 I482 W483 E484	L478-D480 VanDerWaalsContact C-N 3.31Å; L478-D480 PolarHBondContact O-N 3.21Å; D480-I482 VanDerWaalsContact C-N 3.34Å; D480-I482 PolarHBondContact O-N 3.38Å; D480-W483 PolarHBondContact O-N 3.35Å; D480-E484 WeakPolarHBondContact O-CG 3.33Å; D480-E484 PolarHBondContact O-N 3.33Å
481	N	94.2	Very high	91.1	Very high	67 Å²	67	50.1 Å²	50.1	36%	0.358	27%	0.266	S	S	.	.	H	α-helix	trans	-64.7	-38.9	178.1	-63.6	5.8	0	0	0	111.8	L444 L478 K479 E484 V485	L444-N481 HydrophobicContact CD1-CB 3.97Å; L478-N481 WeakPolarHBondContact O-CB 3.42Å; L478-N481 PolarHBondContact O-N 2.81Å; K479-N481 VanDerWaalsContact C-N 3.34Å; K479-N481 PolarHBondContact O-N 3.09Å; N481-E484 PolarHBondContact O-N 3.34Å; N481-V485 WeakPolarHBondContact O-CG2 3.44Å; N481-V485 PolarHBondContact O-N 3.27Å
482	I	94.5	Very high	91.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.6	-46.9	175.3	-65.5	167.4	0	0	0	109.8	L444 L466 L475 L478 K479 D480 E484 V485 F486	L444-I482 HydrophobicContact CD1-CG1 3.9Å; L444-I482 HydrophobicContact CD2-CG1 4.15Å; L466-I482 HydrophobicContact CB-CG2 3.95Å; L466-I482 HydrophobicContact CD2-CG2 4.11Å; L466-I482 WeakPolarHBondContact O-CG2 3.2Å; L475-I482 HydrophobicContact CB-CD1 4Å; L475-I482 HydrophobicContact CD1-CD1 3.71Å; L475-I482 HydrophobicContact CG-CD1 4.48Å; L478-I482 WeakPolarHBondContact O-CG1 2.86Å; L478-I482 PolarHBondContact O-N 2.77Å; K479-I482 PolarHBondContact O-N 3.07Å; D480-I482 VanDerWaalsContact C-N 3.34Å; D480-I482 PolarHBondContact O-N 3.38Å; I482-E484 VanDerWaalsContact C-N 3.33Å; I482-E484 PolarHBondContact O-N 2.61Å; I482-V485 PolarHBondContact O-N 3.44Å; I482-F486 PolarHBondContact O-N 3.16Å
483	W	94.1	Very high	91.1	Very high	24 Å²	24	47.5 Å²	47.5	9%	0.091	25%	0.25	C	S	.	.	H	α-helix	trans	-65.3	-33.6	179.2	-72.3	121.9	0	0	0	113.2	S470 K479 D480 V485 F486 D487 E530 M531	S470-W483 WeakPolarHBondContact OG-CZ2 3.32Å; K479-W483 PolarHBondContact O-N 2.89Å; D480-W483 PolarHBondContact O-N 3.35Å; W483-V485 PolarHBondContact O-N 3.36Å; W483-F486 HydrophobicContact CE3-CB 4.01Å; W483-F486 AromaticContact CE3-CD1 3.46Å; W483-F486 HydrophobicContact CE3-CD1 3.46Å; W483-F486 VanDerWaalsContact CE3-CD1 3.46Å; W483-F486 HydrophobicContact CE3-CE1 4.08Å; W483-F486 AromaticContact CE3-CG 3.79Å; W483-F486 HydrophobicContact CE3-CG 3.79Å; W483-F486 HydrophobicContact CZ3-CB 4.48Å; W483-F486 AromaticContact CZ3-CD1 3.69Å; W483-F486 HydrophobicContact CZ3-CD1 3.69Å; W483-F486 HydrophobicContact CZ3-CD2 4.42Å; W483-F486 AromaticContact CZ3-CE1 3.94Å; W483-F486 HydrophobicContact CZ3-CE1 3.94Å; W483-F486 AromaticContact CZ3-CG 3.91Å; W483-F486 HydrophobicContact CZ3-CG 3.91Å; W483-F486 HydrophobicContact CZ3-CZ 4.42Å; W483-F486 WeakPolarHBondContact O-CB 3.49Å; W483-F486 PolarHBondContact O-N 2.88Å; W483-D487 WeakPolarHBondContact O-CB 3.37Å; W483-D487 PolarHBondContact O-N 3.18Å; W483-E530 HydrophobicContact CH2-CB 4.3Å; W483-E530 HydrophobicContact CZ2-CB 4.29Å; W483-M531 HydrophobicContact CH2-CB 3.94Å; W483-M531 HydrophobicContact CZ3-CB 4.02Å; W483-M531 HydrophobicContact CZ3-CG 4.28Å
484	E	93.9	Very high	90.8	Very high	104 Å²	104	44.5 Å²	44.5	49%	0.486	23%	0.229	S	C	.	.	H	α-helix	trans	-64	-39	173.8	-73.1	-171.8	174.8	0	0	113.2	K448 D480 N481 I482 E488	K448-E484 IonicContact NZ-OE2 3.02Å; K448-E484 PolarHBondContact NZ-OE2 3.47Å; D480-E484 WeakPolarHBondContact O-CG 3.33Å; D480-E484 PolarHBondContact O-N 3.33Å; N481-E484 PolarHBondContact O-N 3.34Å; I482-E484 VanDerWaalsContact C-N 3.33Å; I482-E484 PolarHBondContact O-N 2.61Å; E484-E488 PolarHBondContact O-N 2.98Å; E484-E488 VanDerWaalsContact O-N 3.17Å
485	V	95.3	Very high	90.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-69.9	-39.9	176.4	-176.6	0	0	0	0	109.9	L444 K448 L451 L466 N481 I482 W483 E488 C489	L444-V485 HydrophobicContact CB-CG2 4.2Å; L444-V485 HydrophobicContact CD2-CG2 4.07Å; L444-V485 WeakPolarHBondContact O-CG2 3.5Å; K448-V485 HydrophobicContact CG-CG2 4.14Å; L451-V485 HydrophobicContact CD1-CG1 4.01Å; L466-V485 HydrophobicContact CD1-CB 3.87Å; L466-V485 HydrophobicContact CD1-CG1 3.6Å; N481-V485 WeakPolarHBondContact O-CG2 3.44Å; N481-V485 PolarHBondContact O-N 3.27Å; I482-V485 PolarHBondContact O-N 3.44Å; W483-V485 PolarHBondContact O-N 3.36Å; V485-E488 PolarHBondContact O-N 2.91Å; V485-C489 PolarHBondContact O-N 3.5Å; V485-C489 PolarHBondContact O-SG 2.98Å
486	F	94.1	Very high	89.2	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59	-47.6	173.8	166.1	-97.5	0	0	0	112.2	A463 L466 I482 W483 E488 C489 L490 M531 R534 A535	A463-F486 HydrophobicContact CB-CD2 3.78Å; A463-F486 HydrophobicContact CB-CE2 3.88Å; L466-F486 HydrophobicContact CB-CB 4.43Å; L466-F486 HydrophobicContact CD1-CB 4.22Å; I482-F486 PolarHBondContact O-N 3.16Å; W483-F486 HydrophobicContact CE3-CB 4.01Å; W483-F486 AromaticContact CE3-CD1 3.46Å; W483-F486 HydrophobicContact CE3-CD1 3.46Å; W483-F486 VanDerWaalsContact CE3-CD1 3.46Å; W483-F486 HydrophobicContact CE3-CE1 4.08Å; W483-F486 AromaticContact CE3-CG 3.79Å; W483-F486 HydrophobicContact CE3-CG 3.79Å; W483-F486 HydrophobicContact CZ3-CB 4.48Å; W483-F486 AromaticContact CZ3-CD1 3.69Å; W483-F486 HydrophobicContact CZ3-CD1 3.69Å; W483-F486 HydrophobicContact CZ3-CD2 4.42Å; W483-F486 AromaticContact CZ3-CE1 3.94Å; W483-F486 HydrophobicContact CZ3-CE1 3.94Å; W483-F486 AromaticContact CZ3-CG 3.91Å; W483-F486 HydrophobicContact CZ3-CG 3.91Å; W483-F486 HydrophobicContact CZ3-CZ 4.42Å; W483-F486 WeakPolarHBondContact O-CB 3.49Å; W483-F486 PolarHBondContact O-N 2.88Å; F486-E488 VanDerWaalsContact C-N 3.25Å; F486-E488 PolarHBondContact O-N 3.41Å; F486-C489 WeakPolarHBondContact O-CA 3.25Å; F486-C489 VanDerWaalsContact O-CB 3.27Å; F486-C489 WeakPolarHBondContact O-CB 3.34Å; F486-C489 PolarHBondContact O-N 3.47Å; F486-L490 HydrophobicContact CD1-CD1 4.3Å; F486-L490 HydrophobicContact CD1-CG 4.41Å; F486-L490 HydrophobicContact CE1-CD1 3.47Å; F486-L490 VanDerWaalsContact CE1-CD1 3.47Å; F486-L490 HydrophobicContact CE1-CD2 4.35Å; F486-L490 HydrophobicContact CE1-CG 3.88Å; F486-L490 HydrophobicContact CE2-CD1 4.36Å; F486-L490 HydrophobicContact CE2-CD2 3.75Å; F486-L490 HydrophobicContact CE2-CG 4.03Å; F486-L490 HydrophobicContact CZ-CD1 3.52Å; F486-L490 HydrophobicContact CZ-CD2 3.65Å; F486-L490 HydrophobicContact CZ-CG 3.69Å; F486-L490 PolarHBondContact O-N 3.2Å; F486-M531 HydrophobicContact CD2-CG 3.65Å; F486-M531 HydrophobicContact CD2-SD 4.2Å; F486-M531 HydrophobicContact CE1-CG 4.3Å; F486-M531 HydrophobicContact CE2-CB 4.31Å; F486-M531 HydrophobicContact CE2-CG 2.97Å; F486-M531 HydrophobicContact CE2-SD 3.62Å; F486-M531 HydrophobicContact CZ-CB 4.38Å; F486-M531 HydrophobicContact CZ-CG 3.32Å; F486-M531 WeakPolarHBondContact CZ-O 3.46Å; F486-M531 HydrophobicContact CZ-SD 4.43Å; F486-R534 HydrophobicContact CE1-CB 4.14Å; F486-R534 HydrophobicContact CE1-CG 3.98Å; F486-A535 HydrophobicContact CZ-CB 4.32Å
487	D	92.6	Very high	87.6	Confident	44 Å²	44	50.9 Å²	50.9	24%	0.235	26%	0.261	C	S	.	.	H	α-helix	trans	-62.2	-36.2	179	-70.4	-18.9	0	0	0	111	W483 L490 R491 R534	W483-D487 WeakPolarHBondContact O-CB 3.37Å; W483-D487 PolarHBondContact O-N 3.18Å; D487-L490 PolarHBondContact O-N 3.02Å; D487-R491 WeakPolarHBondContact O-CB 3.29Å; D487-R491 PolarHBondContact O-N 3.17Å; D487-R534 IonicContact OD1-CZ 3.62Å; D487-R534 IonicContact OD1-NE 3.53Å; D487-R534 PolarHBondContact OD1-NE 3.5Å; D487-R534 IonicContact OD1-NH2 3.82Å; D487-R534 IonicContact OD2-CZ 3.27Å; D487-R534 IonicContact OD2-NE 2.79Å; D487-R534 PolarHBondContact OD2-NE 2.88Å; D487-R534 IonicContact OD2-NH2 2.77Å; D487-R534 PolarHBondContact OD2-NH2 3.23Å
488	E	93.3	Very high	85.6	Confident	41 Å²	41	45.5 Å²	45.5	19%	0.192	25%	0.245	C	C	.	.	H	α-helix	trans	-66.4	-38.1	173.8	-174.5	64.2	-175.7	0	0	111.9	L451 E484 V485 F486 R491 I492	L451-E488 HydrophobicContact CD1-CB 4.08Å; L451-E488 HydrophobicContact CD1-CG 3.82Å; E484-E488 PolarHBondContact O-N 2.98Å; E484-E488 VanDerWaalsContact O-N 3.17Å; V485-E488 PolarHBondContact O-N 2.91Å; F486-E488 VanDerWaalsContact C-N 3.25Å; F486-E488 PolarHBondContact O-N 3.41Å; E488-R491 PolarHBondContact O-N 3.43Å; E488-R491 IonicContact OE1-CZ 3.81Å; E488-R491 IonicContact OE1-NE 3.49Å; E488-R491 PolarHBondContact OE1-NE 3Å; E488-R491 IonicContact OE1-NH2 3.11Å; E488-R491 PolarHBondContact OE1-NH2 3.1Å; E488-R491 IonicContact OE2-CZ 2.59Å; E488-R491 IonicContact OE2-NE 3.66Å; E488-R491 PolarHBondContact OE2-NE 3.4Å; E488-R491 IonicContact OE2-NH2 3.97Å; E488-I492 HydrophobicContact CG-CD1 3.91Å; E488-I492 VanDerWaalsContact O-CG1 3.27Å; E488-I492 WeakPolarHBondContact O-CG1 3.46Å; E488-I492 PolarHBondContact O-N 3.22Å
489	C	91.5	Very high	83.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.2	-45.6	171	-69.7	0	0	0	0	111.5	L459 A463 V485 F486 I492 G493	L459-C489 HydrophobicContact CD2-CB 4.42Å; A463-C489 HydrophobicContact CB-CB 3.95Å; V485-C489 PolarHBondContact O-N 3.5Å; V485-C489 PolarHBondContact O-SG 2.98Å; F486-C489 WeakPolarHBondContact O-CA 3.25Å; F486-C489 VanDerWaalsContact O-CB 3.27Å; F486-C489 WeakPolarHBondContact O-CB 3.34Å; F486-C489 PolarHBondContact O-N 3.47Å; C489-I492 PolarHBondContact O-N 3.48Å; C489-G493 PolarHBondContact O-N 2.95Å
490	L	88.2	Confident	81	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60	-48.2	176.2	-61	-169.6	0	0	0	111.2	F486 D487 I492 G493 S494 F503 L507 A535 Y540	F486-L490 HydrophobicContact CD1-CD1 4.3Å; F486-L490 HydrophobicContact CD1-CG 4.41Å; F486-L490 HydrophobicContact CE1-CD1 3.47Å; F486-L490 VanDerWaalsContact CE1-CD1 3.47Å; F486-L490 HydrophobicContact CE1-CD2 4.35Å; F486-L490 HydrophobicContact CE1-CG 3.88Å; F486-L490 HydrophobicContact CE2-CD1 4.36Å; F486-L490 HydrophobicContact CE2-CD2 3.75Å; F486-L490 HydrophobicContact CE2-CG 4.03Å; F486-L490 HydrophobicContact CZ-CD1 3.52Å; F486-L490 HydrophobicContact CZ-CD2 3.65Å; F486-L490 HydrophobicContact CZ-CG 3.69Å; F486-L490 PolarHBondContact O-N 3.2Å; D487-L490 PolarHBondContact O-N 3.02Å; L490-I492 VanDerWaalsContact C-N 3.29Å; L490-I492 PolarHBondContact O-N 3.2Å; L490-G493 PolarHBondContact O-N 2.92Å; L490-S494 WeakPolarHBondContact O-CB 3.37Å; L490-S494 PolarHBondContact O-N 2.88Å; L490-S494 PolarHBondContact O-OG 2.8Å; L490-F503 HydrophobicContact CD2-CD1 4.41Å; L490-F503 HydrophobicContact CD2-CE1 3.69Å; L490-L507 HydrophobicContact CD2-CD1 3.85Å; L490-A535 HydrophobicContact CD1-CB 3.95Å; L490-A535 HydrophobicContact CD2-CB 4.19Å; L490-Y540 VanDerWaalsContact C-CE1 3.43Å; L490-Y540 HydrophobicContact CB-CD1 3.96Å; L490-Y540 HydrophobicContact CB-CD2 3.88Å; L490-Y540 HydrophobicContact CB-CE1 3.72Å; L490-Y540 HydrophobicContact CB-CE2 3.63Å; L490-Y540 HydrophobicContact CB-CG 4.02Å; L490-Y540 HydrophobicContact CD1-CD2 3.44Å; L490-Y540 VanDerWaalsContact CD1-CD2 3.44Å; L490-Y540 HydrophobicContact CD1-CE2 3.62Å; L490-Y540 HydrophobicContact CD1-CG 4.08Å; L490-Y540 HydrophobicContact CG-CD2 4.25Å; L490-Y540 HydrophobicContact CG-CE2 4.3Å; L490-Y540 VanDerWaalsContact O-CE1 3.27Å; L490-Y540 WeakPolarHBondContact O-CE1 3.45Å
491	R	87.3	Confident	79.1	Confident	70 Å²	70	57 Å²	57	26%	0.264	30%	0.303	S	S	.	.	H	α-helix	trans	-63.1	-32	-178.2	-163.6	-155.6	58.7	57.5	-8.9	113.2	D487 E488 K495	D487-R491 WeakPolarHBondContact O-CB 3.29Å; D487-R491 PolarHBondContact O-N 3.17Å; E488-R491 PolarHBondContact O-N 3.43Å; E488-R491 IonicContact OE1-CZ 3.81Å; E488-R491 IonicContact OE1-NE 3.49Å; E488-R491 PolarHBondContact OE1-NE 3Å; E488-R491 IonicContact OE1-NH2 3.11Å; E488-R491 PolarHBondContact OE1-NH2 3.1Å; E488-R491 IonicContact OE2-CZ 2.59Å; E488-R491 IonicContact OE2-NE 3.66Å; E488-R491 PolarHBondContact OE2-NE 3.4Å; E488-R491 IonicContact OE2-NH2 3.97Å; R491-K495 WeakPolarHBondContact O-CG 3.37Å
492	I	87.5	Confident	77.9	Confident	16 Å²	16	55.7 Å²	55.7	8%	0.082	30%	0.299	C	S	.	.	H	α-helix	trans	-81.2	-51.1	176.1	-65.1	167.1	0	0	0	109.5	L451 K452 L459 E488 C489 L490 S494 K495 T496	L451-I492 HydrophobicContact CB-CD1 3.51Å; K452-I492 HydrophobicContact CG-CD1 3.81Å; K452-I492 HydrophobicContact CG-CG1 4.4Å; L459-I492 HydrophobicContact CD1-CB 4.06Å; L459-I492 HydrophobicContact CD1-CG2 3.47Å; L459-I492 VanDerWaalsContact CD1-CG2 3.47Å; E488-I492 HydrophobicContact CG-CD1 3.91Å; E488-I492 VanDerWaalsContact O-CG1 3.27Å; E488-I492 WeakPolarHBondContact O-CG1 3.46Å; E488-I492 PolarHBondContact O-N 3.22Å; C489-I492 PolarHBondContact O-N 3.48Å; L490-I492 VanDerWaalsContact C-N 3.29Å; L490-I492 PolarHBondContact O-N 3.2Å; I492-S494 VanDerWaalsContact C-N 3.3Å; I492-S494 PolarHBondContact O-N 2.91Å; I492-K495 PolarHBondContact O-N 3.43Å; I492-K495 VanDerWaalsContact O-N 3.1Å; I492-T496 PolarHBondContact O-N 3.37Å; I492-T496 PolarHBondContact O-OG1 3.05Å; I492-T496 VanDerWaalsContact O-OG1 3.12Å
493	G	82.8	Confident	77	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-56.6	-40.6	-176.4	0	0	0	0	0	113.6	C489 L490 K495 T496 S497 F503	C489-G493 PolarHBondContact O-N 2.95Å; L490-G493 PolarHBondContact O-N 2.92Å; G493-K495 VanDerWaalsContact C-N 3.35Å; G493-K495 PolarHBondContact O-N 3.1Å; G493-T496 WeakPolarHBondContact CA-OG1 3.17Å; G493-T496 PolarHBondContact O-N 2.73Å; G493-T496 PolarHBondContact O-OG1 3.27Å; G493-S497 PolarHBondContact O-N 2.84Å; G493-F503 VanDerWaalsContact CA-CD2 3.46Å
494	S	79.9	Confident	76.1	Confident	43 Å²	43	55 Å²	55	30%	0.301	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-67.7	-29.6	179.1	73.4	0	0	0	0	114.2	L490 I492 T496 S497	L490-S494 WeakPolarHBondContact O-CB 3.37Å; L490-S494 PolarHBondContact O-N 2.88Å; L490-S494 PolarHBondContact O-OG 2.8Å; I492-S494 VanDerWaalsContact C-N 3.3Å; I492-S494 PolarHBondContact O-N 2.91Å; S494-T496 VanDerWaalsContact C-N 3.26Å; S494-T496 PolarHBondContact O-N 3.05Å; S494-S497 PolarHBondContact O-OG 2.77Å
495	K	78.2	Confident	75.2	Confident	158 Å²	158	51.5 Å²	51.5	69%	0.687	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-73.3	-22.9	176.6	-69.6	179.5	179.2	-179.3	0	112.4	R491 I492 G493	R491-K495 WeakPolarHBondContact O-CG 3.37Å; I492-K495 PolarHBondContact O-N 3.43Å; I492-K495 VanDerWaalsContact O-N 3.1Å; G493-K495 VanDerWaalsContact C-N 3.35Å; G493-K495 PolarHBondContact O-N 3.1Å
496	T	64.6	Low	74.4	Confident	73 Å²	73	55 Å²	55	45%	0.448	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-97	-3.8	-176.5	34.9	0	0	0	0	114.5	P456 I492 G493 S494 G498	P456-T496 VanDerWaalsContact CG-CB 3.48Å; P456-T496 HydrophobicContact CG-CG2 4.14Å; P456-T496 WeakPolarHBondContact CG-OG1 3.37Å; I492-T496 PolarHBondContact O-N 3.37Å; I492-T496 PolarHBondContact O-OG1 3.05Å; I492-T496 VanDerWaalsContact O-OG1 3.12Å; G493-T496 WeakPolarHBondContact CA-OG1 3.17Å; G493-T496 PolarHBondContact O-N 2.73Å; G493-T496 PolarHBondContact O-OG1 3.27Å; S494-T496 VanDerWaalsContact C-N 3.26Å; S494-T496 PolarHBondContact O-N 3.05Å; T496-G498 PolarHBondContact O-N 2.89Å
497	S	55.6	Low	73.7	Confident	58 Å²	58	55 Å²	55	41%	0.406	30%	0.302	S	S	.	.			trans	-66	111.6	-178.8	51.2	0	0	0	0	111.5	G493 S494	G493-S497 PolarHBondContact O-N 2.84Å; S494-S497 PolarHBondContact O-OG 2.77Å
498	G	52.3	Low	72.9	Confident	53 Å²	53	54.4 Å²	54.4	55%	0.546	30%	0.299	S	S	.	.			trans	-78.6	176.5	174.1	0	0	0	0	0	112.8	T496 N500	T496-G498 PolarHBondContact O-N 2.89Å; G498-N500 PolarHBondContact O-N 3.15Å
499	K	43.4	Very low	71.8	Confident	217 Å²	217	56.7 Å²	56.7	94%	0.943	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-19.2	-174.3	-71.4	-175.1	176.3	-176.3	0	116.1
500	N	44.4	Very low	70.9	Confident	156 Å²	156	57.4 Å²	57.4	83%	0.834	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	-19	-166.9	-67.9	-8.8	0	0	0	115.5	G498	G498-N500 PolarHBondContact O-N 3.15Å
501	C	53.2	Low	70.1	Confident	73 Å²	73	57.4 Å²	57.4	49%	0.493	32%	0.317	S	S	.	.			trans	-149	125.1	175.1	-69	0	0	0	0	110.4
502	S	69.2	Low	69.1	Low	40 Å²	40	55.3 Å²	55.3	28%	0.28	31%	0.312	S	S	.	.			trans	-71.7	153.1	170.8	56.5	0	0	0	0	110.5	S504 G505	S502-S504 WeakPolarHBondContact CB-OG 3.33Å; S502-S504 PolarHBondContact O-N 3.21Å; S502-S504 PolarHBondContact OG-OG 3.28Å; S502-G505 PolarHBondContact O-N 2.77Å; S502-G505 PolarHBondContact OG-N 2.83Å
503	F	75	Confident	68	Low	7 Å²	7	57.5 Å²	57.5	3%	0.031	33%	0.33	C	S	.	.	H	α-helix	trans	-59	-32.5	174.6	-173.4	-112	0	0	0	112	P456 L459 A460 L490 G493 G505 W506 L507	P456-F503 WeakPolarHBondContact O-CE2 3.15Å; L459-F503 HydrophobicContact CB-CE2 4.07Å; L459-F503 HydrophobicContact CB-CZ 4.35Å; A460-F503 HydrophobicContact CB-CE2 3.92Å; A460-F503 HydrophobicContact CB-CZ 4.24Å; L490-F503 HydrophobicContact CD2-CD1 4.41Å; L490-F503 HydrophobicContact CD2-CE1 3.69Å; G493-F503 VanDerWaalsContact CA-CD2 3.46Å; F503-G505 VanDerWaalsContact C-N 3.27Å; F503-G505 PolarHBondContact O-N 3.09Å; F503-W506 PolarHBondContact O-N 3.03Å; F503-W506 VanDerWaalsContact O-N 3.13Å; F503-L507 HydrophobicContact CD1-CD1 4.02Å; F503-L507 HydrophobicContact CD1-CG 4.33Å; F503-L507 HydrophobicContact CE1-CD1 3.9Å; F503-L507 HydrophobicContact CE1-CD2 4.23Å; F503-L507 HydrophobicContact CE1-CG 4.07Å; F503-L507 HydrophobicContact CZ-CD2 4.38Å; F503-L507 PolarHBondContact O-N 3.36Å; F503-L507 VanDerWaalsContact O-N 3.08Å
504	S	76.3	Confident	66.9	Low	1 Å²	1	58.2 Å²	58.2	1%	0.007	34%	0.335	C	S	.	.	H	α-helix	trans	-56.5	-37.4	170.3	61.4	0	0	0	0	113.4	S502 W506 L507 I508 S545	S502-S504 WeakPolarHBondContact CB-OG 3.33Å; S502-S504 PolarHBondContact O-N 3.21Å; S502-S504 PolarHBondContact OG-OG 3.28Å; S504-W506 VanDerWaalsContact C-N 3.33Å; S504-W506 PolarHBondContact O-N 3.22Å; S504-L507 PolarHBondContact O-N 3.35Å; S504-I508 WeakPolarHBondContact O-CG1 3.48Å; S504-I508 PolarHBondContact O-N 2.6Å; S504-S545 PolarHBondContact OG-OG 2.83Å; S504-S545 VanDerWaalsContact OG-OG 3.11Å
505	G	75.6	Confident	65.4	Low	31 Å²	31	58.4 Å²	58.4	32%	0.32	33%	0.332	S	S	.	.	H	α-helix	trans	-64	-38.1	176.5	0	0	0	0	0	112.4	S502 F503 L509	S502-G505 PolarHBondContact O-N 2.77Å; S502-G505 PolarHBondContact OG-N 2.83Å; F503-G505 VanDerWaalsContact C-N 3.27Å; F503-G505 PolarHBondContact O-N 3.09Å; G505-L509 WeakPolarHBondContact O-CB 3.26Å; G505-L509 PolarHBondContact O-N 3.37Å
506	W	76.8	Confident	63.6	Low	74 Å²	74	58.2 Å²	58.2	28%	0.28	33%	0.333	S	S	.	.	H	α-helix	trans	-70.5	-35.5	175.2	-70.5	110.5	0	0	0	112.9	Q457 A460 F503 S504 L509 S510	Q457-W506 HydrophobicContact CB-CD2 3.95Å; Q457-W506 HydrophobicContact CB-CE3 3.82Å; Q457-W506 HydrophobicContact CB-CH2 4.1Å; Q457-W506 HydrophobicContact CB-CZ2 4.21Å; Q457-W506 HydrophobicContact CB-CZ3 3.9Å; A460-W506 HydrophobicContact CB-CB 3.52Å; F503-W506 PolarHBondContact O-N 3.03Å; F503-W506 VanDerWaalsContact O-N 3.13Å; S504-W506 VanDerWaalsContact C-N 3.33Å; S504-W506 PolarHBondContact O-N 3.22Å; W506-L509 HydrophobicContact CE3-CD2 3.83Å; W506-L509 HydrophobicContact CZ3-CD2 3.7Å; W506-L509 PolarHBondContact O-N 3.35Å; W506-S510 WeakPolarHBondContact O-CB 3.45Å; W506-S510 PolarHBondContact O-N 3.37Å; W506-S510 PolarHBondContact O-OG 3.39Å
507	L	79.8	Confident	62.4	Low	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.9	-46.8	173.1	-70.4	171.6	0	0	0	111.2	A460 A463 L490 F503 S504 S510 F511 L532 A535 F541	A460-L507 HydrophobicContact CB-CD2 4.15Å; A460-L507 HydrophobicContact CB-CG 4.47Å; A463-L507 HydrophobicContact CB-CD2 3.84Å; L490-L507 HydrophobicContact CD2-CD1 3.85Å; F503-L507 HydrophobicContact CD1-CD1 4.02Å; F503-L507 HydrophobicContact CD1-CG 4.33Å; F503-L507 HydrophobicContact CE1-CD1 3.9Å; F503-L507 HydrophobicContact CE1-CD2 4.23Å; F503-L507 HydrophobicContact CE1-CG 4.07Å; F503-L507 HydrophobicContact CZ-CD2 4.38Å; F503-L507 PolarHBondContact O-N 3.36Å; F503-L507 VanDerWaalsContact O-N 3.08Å; S504-L507 PolarHBondContact O-N 3.35Å; L507-S510 PolarHBondContact O-N 2.99Å; L507-F511 PolarHBondContact O-N 3.09Å; L507-L532 HydrophobicContact CB-CD2 4.23Å; L507-A535 HydrophobicContact CD1-CB 4.25Å; L507-F541 HydrophobicContact CB-CZ 4.39Å; L507-F541 HydrophobicContact CD1-CE2 3.88Å; L507-F541 HydrophobicContact CD1-CZ 4.43Å
508	I	76	Confident	61.8	Low	31 Å²	31	62.4 Å²	62.4	16%	0.159	34%	0.34	C	S	.	.	H	α-helix	trans	-61	-45.8	175.8	-68	164.5	0	0	0	110.4	S504 S510 F511 C512 F541 F549	S504-I508 WeakPolarHBondContact O-CG1 3.48Å; S504-I508 PolarHBondContact O-N 2.6Å; I508-S510 VanDerWaalsContact C-N 3.34Å; I508-S510 PolarHBondContact O-N 2.87Å; I508-F511 WeakPolarHBondContact O-CB 3.22Å; I508-F511 PolarHBondContact O-N 3.19Å; I508-C512 PolarHBondContact O-N 3.4Å; I508-C512 PolarHBondContact O-SG 3.1Å; I508-C512 VanDerWaalsContact O-SG 3.36Å; I508-F541 HydrophobicContact CD1-CE1 3.87Å; I508-F541 HydrophobicContact CG1-CE1 3.91Å; I508-F541 HydrophobicContact CG1-CZ 4.26Å; I508-F549 HydrophobicContact CB-CD2 4.38Å; I508-F549 HydrophobicContact CD1-CB 4.07Å; I508-F549 HydrophobicContact CD1-CD2 4.48Å; I508-F549 HydrophobicContact CD1-CG 4.43Å; I508-F549 HydrophobicContact CG1-CB 4.37Å; I508-F549 HydrophobicContact CG1-CD2 3.99Å; I508-F549 HydrophobicContact CG1-CG 4.19Å; I508-F549 HydrophobicContact CG2-CD2 3.65Å; I508-F549 HydrophobicContact CG2-CE2 4.05Å
509	L	70.6	Confident	61.2	Low	90 Å²	90	62.6 Å²	62.6	47%	0.471	33%	0.328	S	S	.	.	H	α-helix	trans	-60.8	-44.7	178.7	-174.9	66.5	0	0	0	111.3	G505 W506 F511 C512 S513	G505-L509 WeakPolarHBondContact O-CB 3.26Å; G505-L509 PolarHBondContact O-N 3.37Å; W506-L509 HydrophobicContact CE3-CD2 3.83Å; W506-L509 HydrophobicContact CZ3-CD2 3.7Å; W506-L509 PolarHBondContact O-N 3.35Å; L509-F511 VanDerWaalsContact C-N 3.27Å; L509-F511 PolarHBondContact O-N 3.04Å; L509-C512 PolarHBondContact O-N 3.32Å; L509-S513 VanDerWaalsContact O-CB 3.29Å; L509-S513 WeakPolarHBondContact O-CB 2.94Å; L509-S513 PolarHBondContact O-N 2.8Å; L509-S513 PolarHBondContact O-OG 3.39Å
510	S	71.4	Confident	61.1	Low	15 Å²	15	54.3 Å²	54.3	11%	0.105	29%	0.292	C	S	.	.	H	α-helix	trans	-59.1	-40.9	177.3	-57	0	0	0	0	111.3	W506 L507 I508 A514	W506-S510 WeakPolarHBondContact O-CB 3.45Å; W506-S510 PolarHBondContact O-N 3.37Å; W506-S510 PolarHBondContact O-OG 3.39Å; L507-S510 PolarHBondContact O-N 2.99Å; I508-S510 VanDerWaalsContact C-N 3.34Å; I508-S510 PolarHBondContact O-N 2.87Å; S510-A514 PolarHBondContact O-N 3.15Å
511	F	72.1	Confident	60.9	Low	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65	-52.2	174.4	178.3	-84	0	0	0	113	F464 L507 I508 L509 S513 A514 E515 M520 A528 F529 L532 F549	F464-F511 HydrophobicContact CD2-CB 4.23Å; F464-F511 HydrophobicContact CE2-CB 3.97Å; F464-F511 AromaticContact CE2-CD2 3.89Å; F464-F511 HydrophobicContact CE2-CD2 3.89Å; F464-F511 HydrophobicContact CE2-CG 4.34Å; L507-F511 PolarHBondContact O-N 3.09Å; I508-F511 WeakPolarHBondContact O-CB 3.22Å; I508-F511 PolarHBondContact O-N 3.19Å; L509-F511 VanDerWaalsContact C-N 3.27Å; L509-F511 PolarHBondContact O-N 3.04Å; F511-S513 VanDerWaalsContact C-N 3.31Å; F511-S513 PolarHBondContact O-N 3.01Å; F511-A514 WeakPolarHBondContact O-CB 3.48Å; F511-A514 PolarHBondContact O-N 3.33Å; F511-E515 HydrophobicContact CD1-CG 4.35Å; F511-E515 HydrophobicContact CE1-CG 3.61Å; F511-E515 WeakPolarHBondContact CE1-OE1 3.34Å; F511-E515 WeakPolarHBondContact CE1-OE2 3.05Å; F511-E515 HydrophobicContact CZ-CG 3.7Å; F511-E515 WeakPolarHBondContact CZ-OE1 3.39Å; F511-E515 PolarHBondContact O-N 3.36Å; F511-M520 HydrophobicContact CE2-CE 3.87Å; F511-M520 HydrophobicContact CZ-CE 4.41Å; F511-A528 HydrophobicContact CD2-CB 4.14Å; F511-A528 HydrophobicContact CE2-CB 4.16Å; F511-F529 HydrophobicContact CE1-CZ 4.08Å; F511-F529 HydrophobicContact CE2-CD2 4.05Å; F511-F529 HydrophobicContact CE2-CE1 4.17Å; F511-F529 AromaticContact CE2-CE2 3.69Å; F511-F529 HydrophobicContact CE2-CE2 3.69Å; F511-F529 HydrophobicContact CE2-CG 4.46Å; F511-F529 AromaticContact CE2-CZ 3.77Å; F511-F529 HydrophobicContact CE2-CZ 3.77Å; F511-F529 HydrophobicContact CZ-CD2 4.25Å; F511-F529 AromaticContact CZ-CE1 3.84Å; F511-F529 HydrophobicContact CZ-CE1 3.84Å; F511-F529 AromaticContact CZ-CE2 3.44Å; F511-F529 HydrophobicContact CZ-CE2 3.44Å; F511-F529 VanDerWaalsContact CZ-CE2 3.44Å; F511-F529 AromaticContact CZ-CZ 3.2Å; F511-F529 HydrophobicContact CZ-CZ 3.2Å; F511-L532 HydrophobicContact CB-CD1 4.31Å; F511-L532 HydrophobicContact CD2-CD1 3.66Å; F511-L532 HydrophobicContact CE2-CD1 4.18Å; F511-L532 HydrophobicContact CG-CD1 3.93Å; F511-F549 AromaticContact CD1-CE2 3.64Å; F511-F549 HydrophobicContact CD1-CE2 3.64Å; F511-F549 AromaticContact CD1-CZ 3.51Å; F511-F549 HydrophobicContact CD1-CZ 3.51Å; F511-F549 AromaticContact CE1-CE2 4Å; F511-F549 HydrophobicContact CE1-CE2 4Å; F511-F549 AromaticContact CE1-CZ 3.63Å; F511-F549 HydrophobicContact CE1-CZ 3.63Å; F511-F549 HydrophobicContact CG-CE2 4.39Å; F511-F549 HydrophobicContact CG-CZ 4.04Å; F511-F549 HydrophobicContact CZ-CZ 4.26Å
512	C	66.7	Low	60.5	Low	25 Å²	25	51.4 Å²	51.4	17%	0.169	28%	0.281	C	S	.	.	H	α-helix	trans	-64.6	-36.2	-178	-67.1	0	0	0	0	112.1	I508 L509 A514 E515 H516	I508-C512 PolarHBondContact O-N 3.4Å; I508-C512 PolarHBondContact O-SG 3.1Å; I508-C512 VanDerWaalsContact O-SG 3.36Å; L509-C512 PolarHBondContact O-N 3.32Å; C512-A514 PolarHBondContact O-N 2.84Å; C512-E515 PolarHBondContact O-N 3.41Å; C512-H516 PolarHBondContact O-CD2 3.36Å; C512-H516 PolarHBondContact O-N 3.31Å
513	S	63.6	Low	59.8	Low	63 Å²	63	55.5 Å²	55.5	44%	0.441	30%	0.296	S	S	.	.	H	α-helix	trans	-61.5	-29.7	173.9	-68.1	0	0	0	0	112.4	L509 F511	L509-S513 VanDerWaalsContact O-CB 3.29Å; L509-S513 WeakPolarHBondContact O-CB 2.94Å; L509-S513 PolarHBondContact O-N 2.8Å; L509-S513 PolarHBondContact O-OG 3.39Å; F511-S513 VanDerWaalsContact C-N 3.31Å; F511-S513 PolarHBondContact O-N 3.01Å
514	A	60.1	Low	59	Low	15 Å²	15	55.4 Å²	55.4	12%	0.124	30%	0.297	C	S	.	.	H	α-helix	trans	-81.2	-42.5	176.5	0	0	0	0	0	112.4	F464 S510 F511 C512 H516 S517	F464-A514 HydrophobicContact CE1-CB 3.76Å; F464-A514 HydrophobicContact CE2-CB 4.37Å; F464-A514 HydrophobicContact CZ-CB 3.42Å; F464-A514 VanDerWaalsContact CZ-CB 3.42Å; S510-A514 PolarHBondContact O-N 3.15Å; F511-A514 WeakPolarHBondContact O-CB 3.48Å; F511-A514 PolarHBondContact O-N 3.33Å; C512-A514 PolarHBondContact O-N 2.84Å; A514-H516 VanDerWaalsContact C-N 3.31Å; A514-H516 PolarHBondContact O-N 3.2Å; A514-S517 CarbonylContact O-C 3.53Å; A514-S517 PolarHBondContact O-N 3.13Å; A514-S517 PolarHBondContact O-OG 3.43Å
515	E	47.5	Very low	58.6	Low	47 Å²	47	56 Å²	56	22%	0.22	30%	0.302	C	S	.	.	H	α-helix	trans	-62.9	-31.6	-178.6	-86.5	-160.7	154.1	0	0	114.6	F511 C512 S517 Y552 L559	F511-E515 HydrophobicContact CD1-CG 4.35Å; F511-E515 HydrophobicContact CE1-CG 3.61Å; F511-E515 WeakPolarHBondContact CE1-OE1 3.34Å; F511-E515 WeakPolarHBondContact CE1-OE2 3.05Å; F511-E515 HydrophobicContact CZ-CG 3.7Å; F511-E515 WeakPolarHBondContact CZ-OE1 3.39Å; F511-E515 PolarHBondContact O-N 3.36Å; C512-E515 PolarHBondContact O-N 3.41Å; E515-S517 PolarHBondContact O-N 2.95Å; E515-Y552 WeakPolarHBondContact OE2-CE1 3.44Å; E515-Y552 PolarHBondContact OE2-OH 2.72Å; E515-L559 WeakPolarHBondContact OE1-CD1 3.41Å; E515-L559 WeakPolarHBondContact OE1-CD2 3.29Å
516	H	42.1	Very low	58.8	Low	153 Å²	153	60 Å²	60	71%	0.708	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-14.1	176.5	-72.7	-58.2	0	0	0	113.3	C512 A514	C512-H516 PolarHBondContact O-CD2 3.36Å; C512-H516 PolarHBondContact O-N 3.31Å; A514-H516 VanDerWaalsContact C-N 3.31Å; A514-H516 PolarHBondContact O-N 3.2Å
517	S	39.6	Very low	59.1	Low	21 Å²	21	56.4 Å²	56.4	15%	0.147	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	139.6	165.7	63.8	0	0	0	0	108.2	D330 A514 E515 M519	D330-S517 WeakPolarHBondContact OD2-CB 3.49Å; D330-S517 PolarHBondContact OD2-OG 3.41Å; A514-S517 CarbonylContact O-C 3.53Å; A514-S517 PolarHBondContact O-N 3.13Å; A514-S517 PolarHBondContact O-OG 3.43Å; E515-S517 PolarHBondContact O-N 2.95Å; S517-M519 PolarHBondContact O-N 3.37Å; S517-M519 VanDerWaalsContact OG-CB 3.3Å; S517-M519 WeakPolarHBondContact OG-CB 3.29Å; S517-M519 WeakPolarHBondContact OG-CG 3.39Å
518	K	42.5	Very low	59.1	Low	199 Å²	199	56.4 Å²	56.4	87%	0.865	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	33.1	177.8	-70.2	175.4	178	168.1	0	112.7
519	M	38.6	Very low	59.5	Low	57 Å²	57	55 Å²	55	28%	0.281	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-23.4	-165.5	-101.9	-130.3	127.8	0	0	116	E329 D330 S517 P521	E329-M519 HydrophobicContact CB-CE 4.02Å; D330-M519 HydrophobicContact CB-CE 4.06Å; D330-M519 HydrophobicContact CB-CG 3.88Å; D330-M519 HydrophobicContact CB-SD 4.26Å; D330-M519 WeakPolarHBondContact OD1-CE 3.42Å; D330-M519 WeakPolarHBondContact OD1-CG 3.18Å; D330-M519 WeakPolarHBondContact OD2-CG 3.06Å; S517-M519 PolarHBondContact O-N 3.37Å; S517-M519 VanDerWaalsContact OG-CB 3.3Å; S517-M519 WeakPolarHBondContact OG-CB 3.29Å; S517-M519 WeakPolarHBondContact OG-CG 3.39Å; M519-P521 WeakPolarHBondContact O-CD 3.44Å
520	M	42.1	Very low	60.2	Low	42 Å²	42	52.6 Å²	52.6	21%	0.207	27%	0.273	C	S	.	.			trans	-77.8	116.9	-176	-72.2	-124.1	-89.7	0	0	109	F464 F511 A525 A528	F464-M520 HydrophobicContact CZ-SD 4.32Å; F511-M520 HydrophobicContact CE2-CE 3.87Å; F511-M520 HydrophobicContact CZ-CE 4.41Å; M520-A525 HydrophobicContact CB-CB 4.19Å; M520-A525 HydrophobicContact CE-CB 3.64Å; M520-A525 VanDerWaalsContact SD-CA 3.52Å; M520-A525 HydrophobicContact SD-CB 4.17Å; M520-A528 HydrophobicContact CE-CB 3.86Å; M520-A528 HydrophobicContact SD-CB 3.98Å
521	P	39.3	Very low	61	Low	71 Å²	71	51.9 Å²	51.9	46%	0.461	27%	0.268	S	S	.	.			trans	-53.8	146.1	162.3	11.2	-11	0	0	0	107.2	M519 E523 G524 A525	M519-P521 WeakPolarHBondContact O-CD 3.44Å; P521-E523 CarbonylContact O-C 3.6Å; P521-E523 PolarHBondContact O-N 3.31Å; P521-G524 PolarHBondContact O-N 3.44Å; P521-A525 PolarHBondContact O-N 3.05Å
522	P	46.2	Very low	61.6	Low	98 Å²	98	51.9 Å²	51.9	64%	0.636	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-30	178.4	-26.5	33.8	0	0	0	112.8
523	E	53.9	Low	62.5	Low	125 Å²	125	51.6 Å²	51.6	58%	0.584	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-48.6	171.5	-61	103.2	-173.3	0	0	113.5	S471 P521 A525 R526	S471-E523 WeakPolarHBondContact CB-O 3.45Å; S471-E523 PolarHBondContact OG-O 3.45Å; P521-E523 CarbonylContact O-C 3.6Å; P521-E523 PolarHBondContact O-N 3.31Å; E523-A525 PolarHBondContact O-N 3.14Å; E523-A525 VanDerWaalsContact O-N 3.14Å; E523-R526 VanDerWaalsContact O-CB 3.23Å; E523-R526 WeakPolarHBondContact O-CB 3.49Å; E523-R526 PolarHBondContact O-N 2.86Å
524	G	57.6	Low	63.7	Low	5 Å²	5	52.5 Å²	52.5	5%	0.052	26%	0.258	C	S	.	.	H	α-helix	trans	-58.5	-30.1	-176.3	0	0	0	0	0	114.6	S471 P521 R526 G527 A528	S471-G524 WeakPolarHBondContact OG-CA 3.37Å; P521-G524 PolarHBondContact O-N 3.44Å; G524-R526 VanDerWaalsContact C-N 3.28Å; G524-R526 PolarHBondContact O-N 3.48Å; G524-G527 PolarHBondContact O-N 2.84Å; G524-A528 PolarHBondContact O-N 3.18Å; G524-A528 VanDerWaalsContact O-N 3.15Å
525	A	68	Low	65	Low	13 Å²	13	51.8 Å²	51.8	11%	0.107	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-39.6	174.2	0	0	0	0	0	112.6	M520 P521 E523 G527 A528 F529	M520-A525 HydrophobicContact CB-CB 4.19Å; M520-A525 HydrophobicContact CE-CB 3.64Å; M520-A525 VanDerWaalsContact SD-CA 3.52Å; M520-A525 HydrophobicContact SD-CB 4.17Å; P521-A525 PolarHBondContact O-N 3.05Å; E523-A525 PolarHBondContact O-N 3.14Å; E523-A525 VanDerWaalsContact O-N 3.14Å; A525-G527 PolarHBondContact O-N 3.05Å; A525-A528 PolarHBondContact O-N 3.39Å; A525-F529 VanDerWaalsContact O-CD2 3.22Å; A525-F529 WeakPolarHBondContact O-CD2 3.5Å; A525-F529 PolarHBondContact O-N 3.34Å
526	R	79.6	Confident	66.7	Low	115 Å²	115	49.7 Å²	49.7	43%	0.434	24%	0.242	S	C	.	.	H	α-helix	trans	-59.5	-49.7	178.2	-179.8	179.4	177.4	148.5	5	110.9	E523 G524 A528 F529 E530 Y564	E523-R526 VanDerWaalsContact O-CB 3.23Å; E523-R526 WeakPolarHBondContact O-CB 3.49Å; E523-R526 PolarHBondContact O-N 2.86Å; G524-R526 VanDerWaalsContact C-N 3.28Å; G524-R526 PolarHBondContact O-N 3.48Å; R526-A528 VanDerWaalsContact C-N 3.34Å; R526-A528 PolarHBondContact O-N 2.9Å; R526-F529 PolarHBondContact O-N 3.42Å; R526-E530 HydrophobicContact CG-CG 4.32Å; R526-E530 WeakPolarHBondContact CG-OE1 3.4Å; R526-E530 IonicContact CZ-OE1 2.59Å; R526-E530 IonicContact NE-OE1 2.72Å; R526-E530 PolarHBondContact NE-OE1 2.72Å; R526-E530 IonicContact NH2-OE1 2.9Å; R526-E530 WeakPolarHBondContact O-CB 3.39Å; R526-E530 WeakPolarHBondContact O-CG 3.38Å; R526-E530 PolarHBondContact O-N 3.33Å; R526-Y564 HydrophobicContact CB-CD1 3.9Å; R526-Y564 HydrophobicContact CB-CE1 3.95Å; R526-Y564 HydrophobicContact CB-CG 4.35Å; R526-Y564 HydrophobicContact CG-CD1 3.85Å; R526-Y564 HydrophobicContact CG-CE1 4.41Å; R526-Y564 HydrophobicContact CG-CG 4.1Å
527	G	83	Confident	68.6	Low	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.7	-40.4	-179.6	0	0	0	0	0	113	G467 G524 A525 F529 E530 M531	G467-G527 CarbonylContact O-C 3.45Å; G467-G527 WeakPolarHBondContact O-CA 3.32Å; G524-G527 PolarHBondContact O-N 2.84Å; A525-G527 PolarHBondContact O-N 3.05Å; G527-F529 PolarHBondContact O-N 3.29Å; G527-E530 PolarHBondContact O-N 2.81Å; G527-M531 VanDerWaalsContact O-CB 3.31Å; G527-M531 WeakPolarHBondContact O-CB 3.37Å; G527-M531 PolarHBondContact O-N 2.84Å
528	A	81.2	Confident	70.5	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.4	-37.2	174.8	0	0	0	0	0	113.1	F464 F511 M520 G524 A525 R526 M531 L532	F464-A528 HydrophobicContact CE2-CB 3.84Å; F464-A528 HydrophobicContact CZ-CB 4.38Å; F511-A528 HydrophobicContact CD2-CB 4.14Å; F511-A528 HydrophobicContact CE2-CB 4.16Å; M520-A528 HydrophobicContact CE-CB 3.86Å; M520-A528 HydrophobicContact SD-CB 3.98Å; G524-A528 PolarHBondContact O-N 3.18Å; G524-A528 VanDerWaalsContact O-N 3.15Å; A525-A528 PolarHBondContact O-N 3.39Å; R526-A528 VanDerWaalsContact C-N 3.34Å; R526-A528 PolarHBondContact O-N 2.9Å; A528-M531 WeakPolarHBondContact O-CB 3.3Å; A528-L532 WeakPolarHBondContact O-CG 3.39Å; A528-L532 PolarHBondContact O-N 2.8Å
529	F	83.3	Confident	72.1	Confident	1 Å²	1	49.2 Å²	49.2	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-73.6	-39.7	173.5	-83.3	-74.7	0	0	0	112.7	F511 A525 R526 G527 M531 L532 E533 F549 I553 L559 Y564 I565 F568	F511-F529 HydrophobicContact CE1-CZ 4.08Å; F511-F529 HydrophobicContact CE2-CD2 4.05Å; F511-F529 HydrophobicContact CE2-CE1 4.17Å; F511-F529 AromaticContact CE2-CE2 3.69Å; F511-F529 HydrophobicContact CE2-CE2 3.69Å; F511-F529 HydrophobicContact CE2-CG 4.46Å; F511-F529 AromaticContact CE2-CZ 3.77Å; F511-F529 HydrophobicContact CE2-CZ 3.77Å; F511-F529 HydrophobicContact CZ-CD2 4.25Å; F511-F529 AromaticContact CZ-CE1 3.84Å; F511-F529 HydrophobicContact CZ-CE1 3.84Å; F511-F529 AromaticContact CZ-CE2 3.44Å; F511-F529 HydrophobicContact CZ-CE2 3.44Å; F511-F529 VanDerWaalsContact CZ-CE2 3.44Å; F511-F529 AromaticContact CZ-CZ 3.2Å; F511-F529 HydrophobicContact CZ-CZ 3.2Å; A525-F529 VanDerWaalsContact O-CD2 3.22Å; A525-F529 WeakPolarHBondContact O-CD2 3.5Å; A525-F529 PolarHBondContact O-N 3.34Å; R526-F529 PolarHBondContact O-N 3.42Å; G527-F529 PolarHBondContact O-N 3.29Å; F529-M531 PolarHBondContact O-N 2.59Å; F529-L532 PolarHBondContact O-N 2.94Å; F529-E533 WeakPolarHBondContact O-CB 3.27Å; F529-E533 PolarHBondContact O-N 3.27Å; F529-F549 HydrophobicContact CE1-CE1 4.25Å; F529-F549 HydrophobicContact CE1-CZ 4.38Å; F529-I553 HydrophobicContact CD1-CD1 4.42Å; F529-I553 HydrophobicContact CE1-CD1 3.64Å; F529-I553 HydrophobicContact CE1-CG1 4.11Å; F529-L559 HydrophobicContact CE2-CD2 3.93Å; F529-L559 HydrophobicContact CZ-CD1 4.07Å; F529-L559 HydrophobicContact CZ-CD2 3.96Å; F529-Y564 HydrophobicContact CB-CD2 3.76Å; F529-Y564 HydrophobicContact CB-CE2 4.09Å; F529-Y564 AromaticContact CD2-CD2 3.94Å; F529-Y564 HydrophobicContact CD2-CD2 3.94Å; F529-Y564 AromaticContact CD2-CE2 3.37Å; F529-Y564 HydrophobicContact CD2-CE2 3.37Å; F529-Y564 HydrophobicContact CE2-CE2 4.01Å; F529-Y564 AromaticContact CG-CD2 3.99Å; F529-Y564 HydrophobicContact CG-CD2 3.99Å; F529-Y564 AromaticContact CG-CE2 3.91Å; F529-Y564 HydrophobicContact CG-CE2 3.91Å; F529-I565 HydrophobicContact CD1-CD1 3.47Å; F529-I565 VanDerWaalsContact CD1-CD1 3.47Å; F529-I565 HydrophobicContact CD2-CD1 3.76Å; F529-I565 HydrophobicContact CE1-CD1 3.3Å; F529-I565 HydrophobicContact CE2-CD1 3.6Å; F529-I565 HydrophobicContact CG-CD1 3.69Å; F529-I565 HydrophobicContact CZ-CD1 3.35Å; F529-F568 HydrophobicContact CD1-CD2 4.35Å; F529-F568 HydrophobicContact CD1-CG 4.2Å
530	E	86.1	Confident	74.1	Confident	39 Å²	39	49.2 Å²	49.2	18%	0.182	24%	0.241	C	C	.	.	H	α-helix	trans	-58.9	-37.6	173.4	-75	177.3	-177.6	0	0	110.8	K479 W483 R526 G527 E533 R534	K479-E530 IonicContact NZ-OE2 3.78Å; W483-E530 HydrophobicContact CH2-CB 4.3Å; W483-E530 HydrophobicContact CZ2-CB 4.29Å; R526-E530 HydrophobicContact CG-CG 4.32Å; R526-E530 WeakPolarHBondContact CG-OE1 3.4Å; R526-E530 IonicContact CZ-OE1 2.59Å; R526-E530 IonicContact NE-OE1 2.72Å; R526-E530 PolarHBondContact NE-OE1 2.72Å; R526-E530 IonicContact NH2-OE1 2.9Å; R526-E530 WeakPolarHBondContact O-CB 3.39Å; R526-E530 WeakPolarHBondContact O-CG 3.38Å; R526-E530 PolarHBondContact O-N 3.33Å; G527-E530 PolarHBondContact O-N 2.81Å; E530-E533 PolarHBondContact O-N 2.91Å; E530-R534 WeakPolarHBondContact O-CB 3.36Å; E530-R534 PolarHBondContact O-N 3.36Å
531	M	88.3	Confident	75.5	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-62.2	-50	174.1	-179	-150.6	59.6	0	0	112.2	A463 F464 W483 F486 G527 A528 F529 E533 R534 A535	A463-M531 HydrophobicContact CB-SD 4.49Å; F464-M531 WeakPolarHBondContact CA-SD 3.41Å; F464-M531 HydrophobicContact CB-SD 4.39Å; F464-M531 HydrophobicContact CD2-CE 4.07Å; W483-M531 HydrophobicContact CH2-CB 3.94Å; W483-M531 HydrophobicContact CZ3-CB 4.02Å; W483-M531 HydrophobicContact CZ3-CG 4.28Å; F486-M531 HydrophobicContact CD2-CG 3.65Å; F486-M531 HydrophobicContact CD2-SD 4.2Å; F486-M531 HydrophobicContact CE1-CG 4.3Å; F486-M531 HydrophobicContact CE2-CB 4.31Å; F486-M531 HydrophobicContact CE2-CG 2.97Å; F486-M531 HydrophobicContact CE2-SD 3.62Å; F486-M531 HydrophobicContact CZ-CB 4.38Å; F486-M531 HydrophobicContact CZ-CG 3.32Å; F486-M531 WeakPolarHBondContact CZ-O 3.46Å; F486-M531 HydrophobicContact CZ-SD 4.43Å; G527-M531 VanDerWaalsContact O-CB 3.31Å; G527-M531 WeakPolarHBondContact O-CB 3.37Å; G527-M531 PolarHBondContact O-N 2.84Å; A528-M531 WeakPolarHBondContact O-CB 3.3Å; F529-M531 PolarHBondContact O-N 2.59Å; M531-E533 VanDerWaalsContact C-N 3.32Å; M531-E533 PolarHBondContact O-N 2.96Å; M531-R534 PolarHBondContact O-N 3.37Å; M531-A535 PolarHBondContact O-N 3.41Å
532	L	85	Confident	77	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.5	-39.8	177.9	-66.5	169.5	0	0	0	111	L507 F511 A528 F529 R534 A535 I536 F541 F549 F568	L507-L532 HydrophobicContact CB-CD2 4.23Å; F511-L532 HydrophobicContact CB-CD1 4.31Å; F511-L532 HydrophobicContact CD2-CD1 3.66Å; F511-L532 HydrophobicContact CE2-CD1 4.18Å; F511-L532 HydrophobicContact CG-CD1 3.93Å; A528-L532 WeakPolarHBondContact O-CG 3.39Å; A528-L532 PolarHBondContact O-N 2.8Å; F529-L532 PolarHBondContact O-N 2.94Å; L532-R534 VanDerWaalsContact C-N 3.33Å; L532-R534 PolarHBondContact O-N 3.28Å; L532-A535 PolarHBondContact O-N 3.43Å; L532-I536 VanDerWaalsContact O-CG1 3.32Å; L532-I536 WeakPolarHBondContact O-CG1 3.48Å; L532-I536 PolarHBondContact O-N 2.71Å; L532-F541 HydrophobicContact CD2-CE2 4.47Å; L532-F541 HydrophobicContact CD2-CZ 3.77Å; L532-F549 HydrophobicContact CD1-CE1 3.46Å; L532-F549 VanDerWaalsContact CD1-CE1 3.46Å; L532-F549 HydrophobicContact CD1-CZ 3.52Å; L532-F568 HydrophobicContact CB-CD2 4.04Å; L532-F568 HydrophobicContact CB-CE2 3.55Å
533	E	85.5	Confident	78.2	Confident	18 Å²	18	46.6 Å²	46.6	8%	0.084	22%	0.218	C	C	.	.	H	α-helix	trans	-59.8	-44.3	174.6	-173.6	-174.6	150.7	0	0	111.3	F529 E530 M531 I536 K537 S567 F568 A571	F529-E533 WeakPolarHBondContact O-CB 3.27Å; F529-E533 PolarHBondContact O-N 3.27Å; E530-E533 PolarHBondContact O-N 2.91Å; M531-E533 VanDerWaalsContact C-N 3.32Å; M531-E533 PolarHBondContact O-N 2.96Å; E533-I536 PolarHBondContact O-N 3.05Å; E533-K537 HydrophobicContact CG-CD 4.28Å; E533-K537 WeakPolarHBondContact O-CG 3.23Å; E533-K537 PolarHBondContact O-N 3.08Å; E533-K537 VanDerWaalsContact OE1-CE 3.26Å; E533-K537 WeakPolarHBondContact OE1-CE 3.45Å; E533-K537 IonicContact OE1-NZ 3.27Å; E533-K537 PolarHBondContact OE1-NZ 3.2Å; E533-S567 PolarHBondContact OE1-OG 3.08Å; E533-S567 VanDerWaalsContact OE2-CB 3.23Å; E533-S567 WeakPolarHBondContact OE2-CB 3.37Å; E533-S567 PolarHBondContact OE2-OG 3.45Å; E533-F568 HydrophobicContact CB-CD2 4.1Å; E533-A571 HydrophobicContact CG-CB 3.85Å
534	R	88.5	Confident	79	Confident	83 Å²	83	42.8 Å²	42.8	31%	0.313	21%	0.212	S	C	.	.	H	α-helix	trans	-63.7	-44.3	176.9	-171.8	175.2	-179.3	84.7	1.9	111.5	F486 D487 E530 M531 L532 I536 K537 E538	F486-R534 HydrophobicContact CE1-CB 4.14Å; F486-R534 HydrophobicContact CE1-CG 3.98Å; D487-R534 IonicContact OD1-CZ 3.62Å; D487-R534 IonicContact OD1-NE 3.53Å; D487-R534 PolarHBondContact OD1-NE 3.5Å; D487-R534 IonicContact OD1-NH2 3.82Å; D487-R534 IonicContact OD2-CZ 3.27Å; D487-R534 IonicContact OD2-NE 2.79Å; D487-R534 PolarHBondContact OD2-NE 2.88Å; D487-R534 IonicContact OD2-NH2 2.77Å; D487-R534 PolarHBondContact OD2-NH2 3.23Å; E530-R534 WeakPolarHBondContact O-CB 3.36Å; E530-R534 PolarHBondContact O-N 3.36Å; M531-R534 PolarHBondContact O-N 3.37Å; L532-R534 VanDerWaalsContact C-N 3.33Å; L532-R534 PolarHBondContact O-N 3.28Å; R534-I536 VanDerWaalsContact C-N 3.28Å; R534-I536 PolarHBondContact O-N 3.28Å; R534-K537 PolarHBondContact O-N 3.31Å; R534-E538 WeakPolarHBondContact O-CG 3.4Å; R534-E538 PolarHBondContact O-N 3.02Å
535	A	86.7	Confident	79.7	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.2	-34.6	176.4	0	0	0	0	0	112.8	F486 L490 L507 M531 L532 Y540 F541	F486-A535 HydrophobicContact CZ-CB 4.32Å; L490-A535 HydrophobicContact CD1-CB 3.95Å; L490-A535 HydrophobicContact CD2-CB 4.19Å; L507-A535 HydrophobicContact CD1-CB 4.25Å; M531-A535 PolarHBondContact O-N 3.41Å; L532-A535 PolarHBondContact O-N 3.43Å; A535-Y540 WeakPolarHBondContact O-CB 3.31Å; A535-Y540 PolarHBondContact O-N 2.91Å; A535-F541 HydrophobicContact CB-CD2 3.85Å; A535-F541 HydrophobicContact CB-CE2 3.55Å
536	I	82.9	Confident	80	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.015	21%	0.211	C	C	.	.	H	α-helix	trans	-68.1	-44.8	173.1	-69.7	169.5	0	0	0	111.1	L532 E533 R534 E538 D539 F541 F568 A571 A572 L575	L532-I536 VanDerWaalsContact O-CG1 3.32Å; L532-I536 WeakPolarHBondContact O-CG1 3.48Å; L532-I536 PolarHBondContact O-N 2.71Å; E533-I536 PolarHBondContact O-N 3.05Å; R534-I536 VanDerWaalsContact C-N 3.28Å; R534-I536 PolarHBondContact O-N 3.28Å; I536-E538 VanDerWaalsContact C-N 3.26Å; I536-E538 PolarHBondContact O-N 3.12Å; I536-D539 PolarHBondContact O-N 3.42Å; I536-F541 HydrophobicContact CD1-CD1 4.45Å; I536-F541 HydrophobicContact CG1-CB 3.92Å; I536-F541 HydrophobicContact CG1-CD1 3.93Å; I536-F541 HydrophobicContact CG1-CD2 3.92Å; I536-F541 HydrophobicContact CG1-CE1 4.46Å; I536-F541 HydrophobicContact CG1-CE2 4.48Å; I536-F541 HydrophobicContact CG1-CG 3.64Å; I536-F568 HydrophobicContact CD1-CD2 4.26Å; I536-F568 HydrophobicContact CD1-CE1 4.49Å; I536-F568 HydrophobicContact CD1-CE2 3.32Å; I536-F568 HydrophobicContact CD1-CZ 3.44Å; I536-F568 VanDerWaalsContact CD1-CZ 3.44Å; I536-A571 HydrophobicContact CG2-CB 4.09Å; I536-A571 WeakPolarHBondContact CG2-O 3.26Å; I536-A572 HydrophobicContact CD1-CB 4.18Å; I536-L575 HydrophobicContact CG2-CB 4.35Å; I536-L575 HydrophobicContact CG2-CD1 4.39Å
537	K	82.3	Confident	79.7	Confident	125 Å²	125	39.3 Å²	39.3	54%	0.543	21%	0.206	S	C	.	.	H	α-helix	trans	-65.2	-28.4	-179	-77.5	173.2	170.4	172.8	0	113.8	E533 R534 D539 A571	E533-K537 HydrophobicContact CG-CD 4.28Å; E533-K537 WeakPolarHBondContact O-CG 3.23Å; E533-K537 PolarHBondContact O-N 3.08Å; E533-K537 VanDerWaalsContact OE1-CE 3.26Å; E533-K537 WeakPolarHBondContact OE1-CE 3.45Å; E533-K537 IonicContact OE1-NZ 3.27Å; E533-K537 PolarHBondContact OE1-NZ 3.2Å; R534-K537 PolarHBondContact O-N 3.31Å; K537-D539 VanDerWaalsContact C-N 3.33Å; K537-A571 HydrophobicContact CG-CB 4.41Å
538	E	80.9	Confident	79.1	Confident	106 Å²	106	45.1 Å²	45.1	50%	0.495	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	20.7	178.3	-62	-66.9	148.2	0	0	112.5	R534 I536 Y540	R534-E538 WeakPolarHBondContact O-CG 3.4Å; R534-E538 PolarHBondContact O-N 3.02Å; I536-E538 VanDerWaalsContact C-N 3.26Å; I536-E538 PolarHBondContact O-N 3.12Å; E538-Y540 VanDerWaalsContact C-N 3.29Å; E538-Y540 HydrophobicContact CB-CD2 3.58Å; E538-Y540 HydrophobicContact CB-CE2 3.55Å; E538-Y540 WeakPolarHBondContact O-CD2 3.49Å; E538-Y540 WeakPolarHBondContact O-CE2 3.34Å; E538-Y540 PolarHBondContact O-N 3.14Å
539	D	75.7	Confident	78.8	Confident	132 Å²	132	45.3 Å²	45.3	71%	0.706	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	26.2	174.8	-62.8	-35.4	0	0	0	115.7	I536 K537	I536-D539 PolarHBondContact O-N 3.42Å; K537-D539 VanDerWaalsContact C-N 3.33Å
540	Y	79.1	Confident	78.7	Confident	57 Å²	57	45.4 Å²	45.4	22%	0.224	24%	0.239	C	C	.	.			trans	-86	-5.9	176	-67.9	-81.4	0	0	0	114	L490 A535 E538	L490-Y540 VanDerWaalsContact C-CE1 3.43Å; L490-Y540 HydrophobicContact CB-CD1 3.96Å; L490-Y540 HydrophobicContact CB-CD2 3.88Å; L490-Y540 HydrophobicContact CB-CE1 3.72Å; L490-Y540 HydrophobicContact CB-CE2 3.63Å; L490-Y540 HydrophobicContact CB-CG 4.02Å; L490-Y540 HydrophobicContact CD1-CD2 3.44Å; L490-Y540 VanDerWaalsContact CD1-CD2 3.44Å; L490-Y540 HydrophobicContact CD1-CE2 3.62Å; L490-Y540 HydrophobicContact CD1-CG 4.08Å; L490-Y540 HydrophobicContact CG-CD2 4.25Å; L490-Y540 HydrophobicContact CG-CE2 4.3Å; L490-Y540 VanDerWaalsContact O-CE1 3.27Å; L490-Y540 WeakPolarHBondContact O-CE1 3.45Å; A535-Y540 WeakPolarHBondContact O-CB 3.31Å; A535-Y540 PolarHBondContact O-N 2.91Å; E538-Y540 VanDerWaalsContact C-N 3.29Å; E538-Y540 HydrophobicContact CB-CD2 3.58Å; E538-Y540 HydrophobicContact CB-CE2 3.55Å; E538-Y540 WeakPolarHBondContact O-CD2 3.49Å; E538-Y540 WeakPolarHBondContact O-CE2 3.34Å; E538-Y540 PolarHBondContact O-N 3.14Å
541	F	73.2	Confident	78.2	Confident	12 Å²	12	47.8 Å²	47.8	5%	0.053	25%	0.253	C	S	.	.	S	Bend	trans	-103.3	142.4	177	-87.2	-118.2	0	0	0	111.1	L507 I508 L532 A535 I536 L575	L507-F541 HydrophobicContact CB-CZ 4.39Å; L507-F541 HydrophobicContact CD1-CE2 3.88Å; L507-F541 HydrophobicContact CD1-CZ 4.43Å; I508-F541 HydrophobicContact CD1-CE1 3.87Å; I508-F541 HydrophobicContact CG1-CE1 3.91Å; I508-F541 HydrophobicContact CG1-CZ 4.26Å; L532-F541 HydrophobicContact CD2-CE2 4.47Å; L532-F541 HydrophobicContact CD2-CZ 3.77Å; A535-F541 HydrophobicContact CB-CD2 3.85Å; A535-F541 HydrophobicContact CB-CE2 3.55Å; I536-F541 HydrophobicContact CD1-CD1 4.45Å; I536-F541 HydrophobicContact CG1-CB 3.92Å; I536-F541 HydrophobicContact CG1-CD1 3.93Å; I536-F541 HydrophobicContact CG1-CD2 3.92Å; I536-F541 HydrophobicContact CG1-CE1 4.46Å; I536-F541 HydrophobicContact CG1-CE2 4.48Å; I536-F541 HydrophobicContact CG1-CG 3.64Å; F541-L575 HydrophobicContact CB-CD2 4.19Å
542	T	71	Confident	77.5	Confident	71 Å²	71	51.2 Å²	51.2	44%	0.436	27%	0.266	S	S	.	.			trans	-81.9	153.7	165.8	66.5	0	0	0	0	109.7	G544 S545 S546	T542-G544 VanDerWaalsContact C-N 3.25Å; T542-G544 PolarHBondContact O-N 3.48Å; T542-S545 PolarHBondContact O-N 3.39Å; T542-S545 VanDerWaalsContact O-N 3.17Å; T542-S545 WeakPolarHBondContact OG1-CB 3.34Å; T542-S545 PolarHBondContact OG1-N 3.36Å; T542-S545 PolarHBondContact OG1-OG 2.74Å; T542-S546 WeakPolarHBondContact O-CB 3.4Å; T542-S546 PolarHBondContact O-N 3.24Å
543	E	70.3	Confident	77	Confident	73 Å²	73	51.2 Å²	51.2	34%	0.341	27%	0.266	S	S	.	.	H	α-helix	trans	-51.8	-45.7	175.1	-172.7	-175.6	166.7	0	0	111.6	S546 A547	E543-S546 PolarHBondContact O-N 2.71Å; E543-A547 WeakPolarHBondContact O-CB 3.3Å; E543-A547 PolarHBondContact O-N 3.28Å
544	G	71.6	Confident	76.7	Confident	44 Å²	44	55 Å²	55	45%	0.454	28%	0.279	S	S	.	.	H	α-helix	trans	-62.6	-44.2	178.4	0	0	0	0	0	113.6	T542 L548	T542-G544 VanDerWaalsContact C-N 3.25Å; T542-G544 PolarHBondContact O-N 3.48Å; G544-L548 WeakPolarHBondContact O-CB 3.11Å; G544-L548 PolarHBondContact O-N 3.46Å
545	S	70.7	Confident	76	Confident	19 Å²	19	55.7 Å²	55.7	13%	0.133	30%	0.297	C	S	.	.	H	α-helix	trans	-65.3	-41	176.4	-65	0	0	0	0	112	S504 T542 F549	S504-S545 PolarHBondContact OG-OG 2.83Å; S504-S545 VanDerWaalsContact OG-OG 3.11Å; T542-S545 PolarHBondContact O-N 3.39Å; T542-S545 VanDerWaalsContact O-N 3.17Å; T542-S545 WeakPolarHBondContact OG1-CB 3.34Å; T542-S545 PolarHBondContact OG1-N 3.36Å; T542-S545 PolarHBondContact OG1-OG 2.74Å; S545-F549 WeakPolarHBondContact O-CB 3.35Å; S545-F549 PolarHBondContact O-N 2.86Å; S545-F549 VanDerWaalsContact O-N 3.14Å
546	S	74.5	Confident	75.2	Confident	2 Å²	2	58 Å²	58	1%	0.014	31%	0.309	C	S	.	.	H	α-helix	trans	-63.1	-47.2	178.3	-173.4	0	0	0	0	111.3	T542 E543 F549 A550 A572	T542-S546 WeakPolarHBondContact O-CB 3.4Å; T542-S546 PolarHBondContact O-N 3.24Å; E543-S546 PolarHBondContact O-N 2.71Å; S546-F549 PolarHBondContact O-N 3.19Å; S546-A550 WeakPolarHBondContact O-CB 3.47Å; S546-A550 PolarHBondContact O-N 3.48Å; S546-A572 VanDerWaalsContact OG-CA 3.27Å; S546-A572 WeakPolarHBondContact OG-CA 3.42Å; S546-A572 VanDerWaalsContact OG-CB 3.3Å; S546-A572 WeakPolarHBondContact OG-CB 3.33Å; S546-A572 PolarHBondContact OG-O 3.21Å
547	A	74.4	Confident	74.7	Confident	40 Å²	40	62.3 Å²	62.3	33%	0.331	34%	0.338	S	S	.	.	H	α-helix	trans	-64.1	-48.3	179.2	0	0	0	0	0	112.6	E543 F549 A550 D551	E543-A547 WeakPolarHBondContact O-CB 3.3Å; E543-A547 PolarHBondContact O-N 3.28Å; A547-F549 VanDerWaalsContact C-N 3.27Å; A547-F549 PolarHBondContact O-N 3.46Å; A547-A550 PolarHBondContact O-N 2.76Å; A547-D551 PolarHBondContact O-N 3.22Å
548	L	70.9	Confident	74.1	Confident	122 Å²	122	59.4 Å²	59.4	64%	0.639	34%	0.337	S	S	*	.	H	α-helix	trans	-56	-43.7	177.1	-90.5	159.2	0	0	0	111.8	G544 D551 Y552	G544-L548 WeakPolarHBondContact O-CB 3.11Å; G544-L548 PolarHBondContact O-N 3.46Å; L548-D551 PolarHBondContact O-N 2.83Å; L548-Y552 PolarHBondContact O-N 3.35Å; L548-Y552 VanDerWaalsContact O-N 3.09Å
549	F	74.9	Confident	73.6	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.018	32%	0.317	C	S	.	.	H	α-helix	trans	-73.8	-36.8	-179.5	-168	-107.1	0	0	0	112.4	I508 F511 F529 L532 S545 S546 A547 D551 Y552 I553 F568	I508-F549 HydrophobicContact CB-CD2 4.38Å; I508-F549 HydrophobicContact CD1-CB 4.07Å; I508-F549 HydrophobicContact CD1-CD2 4.48Å; I508-F549 HydrophobicContact CD1-CG 4.43Å; I508-F549 HydrophobicContact CG1-CB 4.37Å; I508-F549 HydrophobicContact CG1-CD2 3.99Å; I508-F549 HydrophobicContact CG1-CG 4.19Å; I508-F549 HydrophobicContact CG2-CD2 3.65Å; I508-F549 HydrophobicContact CG2-CE2 4.05Å; F511-F549 AromaticContact CD1-CE2 3.64Å; F511-F549 HydrophobicContact CD1-CE2 3.64Å; F511-F549 AromaticContact CD1-CZ 3.51Å; F511-F549 HydrophobicContact CD1-CZ 3.51Å; F511-F549 AromaticContact CE1-CE2 4Å; F511-F549 HydrophobicContact CE1-CE2 4Å; F511-F549 AromaticContact CE1-CZ 3.63Å; F511-F549 HydrophobicContact CE1-CZ 3.63Å; F511-F549 HydrophobicContact CG-CE2 4.39Å; F511-F549 HydrophobicContact CG-CZ 4.04Å; F511-F549 HydrophobicContact CZ-CZ 4.26Å; F529-F549 HydrophobicContact CE1-CE1 4.25Å; F529-F549 HydrophobicContact CE1-CZ 4.38Å; L532-F549 HydrophobicContact CD1-CE1 3.46Å; L532-F549 VanDerWaalsContact CD1-CE1 3.46Å; L532-F549 HydrophobicContact CD1-CZ 3.52Å; S545-F549 WeakPolarHBondContact O-CB 3.35Å; S545-F549 PolarHBondContact O-N 2.86Å; S545-F549 VanDerWaalsContact O-N 3.14Å; S546-F549 PolarHBondContact O-N 3.19Å; A547-F549 VanDerWaalsContact C-N 3.27Å; A547-F549 PolarHBondContact O-N 3.46Å; F549-D551 VanDerWaalsContact C-N 3.31Å; F549-D551 PolarHBondContact O-N 2.97Å; F549-Y552 HydrophobicContact CD2-CD1 4.48Å; F549-Y552 HydrophobicContact CE2-CD1 4.25Å; F549-Y552 WeakPolarHBondContact O-CB 3.18Å; F549-Y552 PolarHBondContact O-N 3.05Å; F549-I553 HydrophobicContact CD1-CD1 3.84Å; F549-I553 HydrophobicContact CD1-CG1 4.43Å; F549-I553 HydrophobicContact CE1-CD1 3.61Å; F549-I553 HydrophobicContact CE1-CG1 4.18Å; F549-I553 HydrophobicContact CZ-CD1 4.34Å; F549-I553 HydrophobicContact CZ-CG1 4.49Å; F549-I553 WeakPolarHBondContact O-CG1 3.46Å; F549-I553 PolarHBondContact O-N 3.04Å; F549-F568 AromaticContact CD1-CE1 3.74Å; F549-F568 HydrophobicContact CD1-CE1 3.74Å; F549-F568 HydrophobicContact CD1-CE2 4.3Å; F549-F568 AromaticContact CD1-CZ 3.4Å; F549-F568 HydrophobicContact CD1-CZ 3.4Å; F549-F568 HydrophobicContact CE1-CE1 4.01Å; F549-F568 HydrophobicContact CE1-CE2 4.23Å; F549-F568 AromaticContact CE1-CZ 3.68Å; F549-F568 HydrophobicContact CE1-CZ 3.68Å
550	A	79.4	Confident	73.6	Confident	3 Å²	3	53.1 Å²	53.1	3%	0.025	31%	0.305	C	S	.	.	H	α-helix	trans	-60.2	-41.1	172.2	0	0	0	0	0	111.9	S546 A547 I553 R554 L569 A572	S546-A550 WeakPolarHBondContact O-CB 3.47Å; S546-A550 PolarHBondContact O-N 3.48Å; A547-A550 PolarHBondContact O-N 2.76Å; A550-I553 PolarHBondContact O-N 3.31Å; A550-R554 WeakPolarHBondContact O-CG 3.45Å; A550-R554 PolarHBondContact O-N 3.28Å; A550-L569 HydrophobicContact CB-CD2 3.96Å; A550-A572 HydrophobicContact CB-CB 4.23Å
551	D	77.3	Confident	73.5	Confident	89 Å²	89	59 Å²	59	48%	0.476	33%	0.331	S	S	.	.	H	α-helix	trans	-67.1	-37.3	176.8	-77.2	-8.4	0	0	0	112.6	A547 L548 F549 R554 S555	A547-D551 PolarHBondContact O-N 3.22Å; L548-D551 PolarHBondContact O-N 2.83Å; F549-D551 VanDerWaalsContact C-N 3.31Å; F549-D551 PolarHBondContact O-N 2.97Å; D551-R554 PolarHBondContact O-N 3.14Å; D551-R554 IonicContact OD1-NH1 3.19Å; D551-R554 PolarHBondContact OD1-NH1 3.01Å; D551-S555 WeakPolarHBondContact O-CB 3.38Å; D551-S555 PolarHBondContact O-N 2.95Å; D551-S555 PolarHBondContact O-OG 2.65Å
552	Y	73.6	Confident	73.6	Confident	73 Å²	73	62.3 Å²	62.3	29%	0.286	35%	0.346	S	S	.	.	H	α-helix	trans	-57.5	-48.7	170.8	173.4	-97.3	0	0	0	111.7	E515 L548 F549 S555 N556	E515-Y552 WeakPolarHBondContact OE2-CE1 3.44Å; E515-Y552 PolarHBondContact OE2-OH 2.72Å; L548-Y552 PolarHBondContact O-N 3.35Å; L548-Y552 VanDerWaalsContact O-N 3.09Å; F549-Y552 HydrophobicContact CD2-CD1 4.48Å; F549-Y552 HydrophobicContact CE2-CD1 4.25Å; F549-Y552 WeakPolarHBondContact O-CB 3.18Å; F549-Y552 PolarHBondContact O-N 3.05Å; Y552-S555 WeakPolarHBondContact O-CB 3.23Å; Y552-S555 PolarHBondContact O-N 3.06Å; Y552-N556 PolarHBondContact O-N 3.31Å
553	I	73.6	Confident	74	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-62.8	-46.4	179.1	-65.5	168.3	0	0	0	111.3	F529 F549 A550 S555 N556 L559 M560 I565 F568 L569	F529-I553 HydrophobicContact CD1-CD1 4.42Å; F529-I553 HydrophobicContact CE1-CD1 3.64Å; F529-I553 HydrophobicContact CE1-CG1 4.11Å; F549-I553 HydrophobicContact CD1-CD1 3.84Å; F549-I553 HydrophobicContact CD1-CG1 4.43Å; F549-I553 HydrophobicContact CE1-CD1 3.61Å; F549-I553 HydrophobicContact CE1-CG1 4.18Å; F549-I553 HydrophobicContact CZ-CD1 4.34Å; F549-I553 HydrophobicContact CZ-CG1 4.49Å; F549-I553 WeakPolarHBondContact O-CG1 3.46Å; F549-I553 PolarHBondContact O-N 3.04Å; A550-I553 PolarHBondContact O-N 3.31Å; I553-S555 PolarHBondContact O-N 2.88Å; I553-N556 PolarHBondContact O-N 2.95Å; I553-L559 HydrophobicContact CG1-CD1 4.38Å; I553-L559 HydrophobicContact CG2-CB 4.21Å; I553-L559 HydrophobicContact CG2-CD1 4.44Å; I553-M560 HydrophobicContact CG2-SD 4.2Å; I553-I565 HydrophobicContact CG2-CD1 4.34Å; I553-I565 HydrophobicContact CG2-CG2 3.55Å; I553-F568 HydrophobicContact CD1-CD1 3.31Å; I553-F568 HydrophobicContact CD1-CE1 3.21Å; I553-F568 HydrophobicContact CD1-CG 4.34Å; I553-F568 HydrophobicContact CD1-CZ 4.17Å; I553-L569 HydrophobicContact CB-CD2 4.45Å; I553-L569 HydrophobicContact CG2-CD2 4.34Å
554	R	78.8	Confident	74.3	Confident	97 Å²	97	62.1 Å²	62.1	37%	0.366	34%	0.343	S	S	.	.	H	α-helix	trans	-60.3	-31.5	178.3	-72.2	-178.7	-167.7	113.9	-0.1	112.2	A550 D551 N556 M560 L569 E573	A550-R554 WeakPolarHBondContact O-CG 3.45Å; A550-R554 PolarHBondContact O-N 3.28Å; D551-R554 PolarHBondContact O-N 3.14Å; D551-R554 IonicContact OD1-NH1 3.19Å; D551-R554 PolarHBondContact OD1-NH1 3.01Å; R554-N556 PolarHBondContact O-N 3.28Å; R554-M560 HydrophobicContact CG-SD 4.45Å; R554-L569 HydrophobicContact CG-CD2 4.41Å; R554-E573 IonicContact CZ-OE1 3.1Å; R554-E573 IonicContact NH2-OE1 3.83Å; R554-E573 PolarHBondContact NH2-OE1 3.39Å
555	S	74.6	Confident	74.7	Confident	98 Å²	98	60.1 Å²	60.1	69%	0.685	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-7	177.4	-57	0	0	0	0	113.4	D551 Y552 I553 P557	D551-S555 WeakPolarHBondContact O-CB 3.38Å; D551-S555 PolarHBondContact O-N 2.95Å; D551-S555 PolarHBondContact O-OG 2.65Å; Y552-S555 WeakPolarHBondContact O-CB 3.23Å; Y552-S555 PolarHBondContact O-N 3.06Å; I553-S555 PolarHBondContact O-N 2.88Å; S555-P557 WeakPolarHBondContact O-CD 3.22Å
556	N	69.9	Low	75.1	Confident	47 Å²	47	63.2 Å²	63.2	25%	0.251	34%	0.34	S	S	.	.			trans	-110.6	98.5	178.7	-170.3	-25.9	0	0	0	111.5	Y552 I553 R554 A558 L559 M560	Y552-N556 PolarHBondContact O-N 3.31Å; I553-N556 PolarHBondContact O-N 2.95Å; R554-N556 PolarHBondContact O-N 3.28Å; N556-A558 PolarHBondContact O-N 3.44Å; N556-A558 VanDerWaalsContact O-N 3.08Å; N556-A558 WeakPolarHBondContact OD1-CB 3.4Å; N556-A558 PolarHBondContact OD1-N 3.09Å; N556-A558 VanDerWaalsContact OD1-N 3.15Å; N556-L559 HydrophobicContact CB-CB 4.3Å; N556-L559 HydrophobicContact CB-CD1 3.92Å; N556-L559 HydrophobicContact CB-CG 4.13Å; N556-L559 PolarHBondContact O-N 2.95Å; N556-L559 VanDerWaalsContact O-N 3.12Å; N556-M560 PolarHBondContact O-N 3.27Å
557	P	71.5	Confident	75.4	Confident	95 Å²	95	65.6 Å²	65.6	62%	0.617	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-21	-177.4	-23.9	33.7	0	0	0	114.8	S555	S555-P557 WeakPolarHBondContact O-CD 3.22Å
558	A	69.4	Low	75.7	Confident	64 Å²	64	63.7 Å²	63.7	53%	0.529	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-38.9	178.1	0	0	0	0	0	111.4	N556	N556-A558 PolarHBondContact O-N 3.44Å; N556-A558 VanDerWaalsContact O-N 3.08Å; N556-A558 WeakPolarHBondContact OD1-CB 3.4Å; N556-A558 PolarHBondContact OD1-N 3.09Å; N556-A558 VanDerWaalsContact OD1-N 3.15Å
559	L	70.5	Confident	76.2	Confident	15 Å²	15	58.5 Å²	58.5	8%	0.079	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-67.5	-43	175.9	-68.5	178.4	0	0	0	111.3	E515 F529 I553 N556 K561 K562 I565	E515-L559 WeakPolarHBondContact OE1-CD1 3.41Å; E515-L559 WeakPolarHBondContact OE1-CD2 3.29Å; F529-L559 HydrophobicContact CE2-CD2 3.93Å; F529-L559 HydrophobicContact CZ-CD1 4.07Å; F529-L559 HydrophobicContact CZ-CD2 3.96Å; I553-L559 HydrophobicContact CG1-CD1 4.38Å; I553-L559 HydrophobicContact CG2-CB 4.21Å; I553-L559 HydrophobicContact CG2-CD1 4.44Å; N556-L559 HydrophobicContact CB-CB 4.3Å; N556-L559 HydrophobicContact CB-CD1 3.92Å; N556-L559 HydrophobicContact CB-CG 4.13Å; N556-L559 PolarHBondContact O-N 2.95Å; N556-L559 VanDerWaalsContact O-N 3.12Å; L559-K561 PolarHBondContact O-N 3.48Å; L559-K562 WeakPolarHBondContact O-CB 3.38Å; L559-K562 WeakPolarHBondContact O-CG 3.36Å; L559-K562 PolarHBondContact O-N 3.32Å; L559-I565 WeakPolarHBondContact O-CG1 3.42Å
560	M	76.5	Confident	76.6	Confident	90 Å²	90	62.1 Å²	62.1	44%	0.443	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-59.1	-12	-178.8	-68.3	-60	-64.9	0	0	115.3	I553 R554 N556 I565 L569	I553-M560 HydrophobicContact CG2-SD 4.2Å; R554-M560 HydrophobicContact CG-SD 4.45Å; N556-M560 PolarHBondContact O-N 3.27Å; M560-I565 HydrophobicContact SD-CG2 4.25Å; M560-L569 HydrophobicContact CE-CD1 4.04Å; M560-L569 HydrophobicContact SD-CD1 3.88Å
561	K	76.2	Confident	76.6	Confident	181 Å²	181	62.4 Å²	62.4	79%	0.787	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-87.5	-5.2	175.7	-66.6	177.7	-176.8	178.3	0	113.9	L559	L559-K561 PolarHBondContact O-N 3.48Å
562	K	76.9	Confident	76.7	Confident	82 Å²	82	58.4 Å²	58.4	36%	0.357	31%	0.314	S	S	.	.			trans	-92.4	135.5	-176.8	-58.7	-69.4	-173	166.6	0	110	L559 Y564 I565	L559-K562 WeakPolarHBondContact O-CB 3.38Å; L559-K562 WeakPolarHBondContact O-CG 3.36Å; L559-K562 PolarHBondContact O-N 3.32Å; K562-Y564 HydrophobicContact CB-CD1 4.21Å; K562-Y564 HydrophobicContact CB-CD2 4.38Å; K562-Y564 HydrophobicContact CB-CE1 3.74Å; K562-Y564 HydrophobicContact CB-CE2 3.88Å; K562-Y564 HydrophobicContact CD-CE1 4.06Å; K562-Y564 HydrophobicContact CG-CE1 4.16Å; K562-Y564 HydrophobicContact CG-CE2 4.36Å; K562-Y564 WeakPolarHBondContact CG-OH 3.42Å; K562-I565 HydrophobicContact CB-CB 4.49Å; K562-I565 HydrophobicContact CB-CG1 3.74Å; K562-I565 WeakPolarHBondContact O-CB 3.35Å; K562-I565 PolarHBondContact O-N 2.9Å
563	D	78.5	Confident	76.8	Confident	118 Å²	118	58.5 Å²	58.5	63%	0.631	32%	0.317	S	S	*	.	H	α-helix	trans	-65.5	-40	-175.8	59.1	-21.7	0	0	0	113	I565 V566	D563-I565 PolarHBondContact O-N 3.32Å; D563-V566 PolarHBondContact O-N 3.41Å
564	Y	75.9	Confident	76.8	Confident	22 Å²	22	65.4 Å²	65.4	9%	0.086	35%	0.348	C	S	.	.	H	α-helix	trans	-65.5	-21.7	177.9	54.1	-99.5	0	0	0	113.8	R526 F529 K562 V566 S567 F568	R526-Y564 HydrophobicContact CB-CD1 3.9Å; R526-Y564 HydrophobicContact CB-CE1 3.95Å; R526-Y564 HydrophobicContact CB-CG 4.35Å; R526-Y564 HydrophobicContact CG-CD1 3.85Å; R526-Y564 HydrophobicContact CG-CE1 4.41Å; R526-Y564 HydrophobicContact CG-CG 4.1Å; F529-Y564 HydrophobicContact CB-CD2 3.76Å; F529-Y564 HydrophobicContact CB-CE2 4.09Å; F529-Y564 AromaticContact CD2-CD2 3.94Å; F529-Y564 HydrophobicContact CD2-CD2 3.94Å; F529-Y564 AromaticContact CD2-CE2 3.37Å; F529-Y564 HydrophobicContact CD2-CE2 3.37Å; F529-Y564 HydrophobicContact CE2-CE2 4.01Å; F529-Y564 AromaticContact CG-CD2 3.99Å; F529-Y564 HydrophobicContact CG-CD2 3.99Å; F529-Y564 AromaticContact CG-CE2 3.91Å; F529-Y564 HydrophobicContact CG-CE2 3.91Å; K562-Y564 HydrophobicContact CB-CD1 4.21Å; K562-Y564 HydrophobicContact CB-CD2 4.38Å; K562-Y564 HydrophobicContact CB-CE1 3.74Å; K562-Y564 HydrophobicContact CB-CE2 3.88Å; K562-Y564 HydrophobicContact CD-CE1 4.06Å; K562-Y564 HydrophobicContact CG-CE1 4.16Å; K562-Y564 HydrophobicContact CG-CE2 4.36Å; K562-Y564 WeakPolarHBondContact CG-OH 3.42Å; Y564-V566 VanDerWaalsContact C-N 3.3Å; Y564-V566 PolarHBondContact O-N 3.41Å; Y564-S567 PolarHBondContact O-N 3.24Å; Y564-F568 PolarHBondContact O-N 3.28Å
565	I	80.6	Confident	76.4	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-67.5	-32.4	179.6	-66.8	-65.4	0	0	0	111.9	F529 I553 L559 M560 K562 D563 S567 F568 L569	F529-I565 HydrophobicContact CD1-CD1 3.47Å; F529-I565 VanDerWaalsContact CD1-CD1 3.47Å; F529-I565 HydrophobicContact CD2-CD1 3.76Å; F529-I565 HydrophobicContact CE1-CD1 3.3Å; F529-I565 HydrophobicContact CE2-CD1 3.6Å; F529-I565 HydrophobicContact CG-CD1 3.69Å; F529-I565 HydrophobicContact CZ-CD1 3.35Å; I553-I565 HydrophobicContact CG2-CD1 4.34Å; I553-I565 HydrophobicContact CG2-CG2 3.55Å; L559-I565 WeakPolarHBondContact O-CG1 3.42Å; M560-I565 HydrophobicContact SD-CG2 4.25Å; K562-I565 HydrophobicContact CB-CB 4.49Å; K562-I565 HydrophobicContact CB-CG1 3.74Å; K562-I565 WeakPolarHBondContact O-CB 3.35Å; K562-I565 PolarHBondContact O-N 2.9Å; D563-I565 PolarHBondContact O-N 3.32Å; I565-S567 VanDerWaalsContact C-N 3.3Å; I565-S567 PolarHBondContact O-N 3.44Å; I565-F568 PolarHBondContact O-N 3.23Å; I565-L569 HydrophobicContact CG2-CD1 3.84Å; I565-L569 HydrophobicContact CG2-CG 4.1Å; I565-L569 WeakPolarHBondContact O-CG 3.43Å; I565-L569 PolarHBondContact O-N 2.9Å
566	V	80	Confident	75.7	Confident	84 Å²	84	59.3 Å²	59.3	51%	0.509	32%	0.318	S	S	.	.	H	α-helix	trans	-63.9	-40.1	177.5	179.1	0	0	0	0	110.7	D563 Y564 N570	D563-V566 PolarHBondContact O-N 3.41Å; Y564-V566 VanDerWaalsContact C-N 3.3Å; Y564-V566 PolarHBondContact O-N 3.41Å; V566-N570 WeakPolarHBondContact O-CB 3.43Å; V566-N570 PolarHBondContact O-N 2.72Å; V566-N570 PolarHBondContact O-ND2 3.05Å
567	S	80.2	Confident	75	Confident	51 Å²	51	63.2 Å²	63.2	36%	0.357	34%	0.339	S	S	.	.	H	α-helix	trans	-64	-45.1	176.9	-164.8	0	0	0	0	111.4	E533 Y564 I565 N570 A571	E533-S567 PolarHBondContact OE1-OG 3.08Å; E533-S567 VanDerWaalsContact OE2-CB 3.23Å; E533-S567 WeakPolarHBondContact OE2-CB 3.37Å; E533-S567 PolarHBondContact OE2-OG 3.45Å; Y564-S567 PolarHBondContact O-N 3.24Å; I565-S567 VanDerWaalsContact C-N 3.3Å; I565-S567 PolarHBondContact O-N 3.44Å; S567-N570 PolarHBondContact O-N 3.45Å; S567-A571 PolarHBondContact O-N 3.47Å; S567-A571 VanDerWaalsContact O-N 3.08Å
568	F	79.9	Confident	74.2	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-58.2	-52.4	174.9	176.7	-88.9	0	0	0	112.3	F529 L532 E533 I536 F549 I553 Y564 I565 N570 A571 A572	F529-F568 HydrophobicContact CD1-CD2 4.35Å; F529-F568 HydrophobicContact CD1-CG 4.2Å; L532-F568 HydrophobicContact CB-CD2 4.04Å; L532-F568 HydrophobicContact CB-CE2 3.55Å; E533-F568 HydrophobicContact CB-CD2 4.1Å; I536-F568 HydrophobicContact CD1-CD2 4.26Å; I536-F568 HydrophobicContact CD1-CE1 4.49Å; I536-F568 HydrophobicContact CD1-CE2 3.32Å; I536-F568 HydrophobicContact CD1-CZ 3.44Å; I536-F568 VanDerWaalsContact CD1-CZ 3.44Å; F549-F568 AromaticContact CD1-CE1 3.74Å; F549-F568 HydrophobicContact CD1-CE1 3.74Å; F549-F568 HydrophobicContact CD1-CE2 4.3Å; F549-F568 AromaticContact CD1-CZ 3.4Å; F549-F568 HydrophobicContact CD1-CZ 3.4Å; F549-F568 HydrophobicContact CE1-CE1 4.01Å; F549-F568 HydrophobicContact CE1-CE2 4.23Å; F549-F568 AromaticContact CE1-CZ 3.68Å; F549-F568 HydrophobicContact CE1-CZ 3.68Å; I553-F568 HydrophobicContact CD1-CD1 3.31Å; I553-F568 HydrophobicContact CD1-CE1 3.21Å; I553-F568 HydrophobicContact CD1-CG 4.34Å; I553-F568 HydrophobicContact CD1-CZ 4.17Å; Y564-F568 PolarHBondContact O-N 3.28Å; I565-F568 PolarHBondContact O-N 3.23Å; F568-N570 PolarHBondContact O-N 3.05Å; F568-N570 VanDerWaalsContact C-N 3.3Å; F568-A571 PolarHBondContact O-N 2.87Å; F568-A571 VanDerWaalsContact O-N 3.08Å; F568-A571 WeakPolarHBondContact O-CB 3.45Å; F568-A572 HydrophobicContact CE1-CB 4.24Å; F568-A572 HydrophobicContact CZ-CB 4.48Å; F568-A572 PolarHBondContact O-N 2.88Å
569	L	82.3	Confident	73	Confident	13 Å²	13	65.7 Å²	65.7	7%	0.068	34%	0.342	C	S	.	.	H	α-helix	trans	-61.2	-39.2	-178.6	-72	174.4	0	0	0	111.8	A550 I553 R554 M560 I565 A571 A572 E573	A550-L569 HydrophobicContact CB-CD2 3.96Å; I553-L569 HydrophobicContact CB-CD2 4.45Å; I553-L569 HydrophobicContact CG2-CD2 4.34Å; R554-L569 HydrophobicContact CG-CD2 4.41Å; M560-L569 HydrophobicContact CE-CD1 4.04Å; M560-L569 HydrophobicContact SD-CD1 3.88Å; I565-L569 HydrophobicContact CG2-CD1 3.84Å; I565-L569 HydrophobicContact CG2-CG 4.1Å; I565-L569 WeakPolarHBondContact O-CG 3.43Å; I565-L569 PolarHBondContact O-N 2.9Å; L569-A571 VanDerWaalsContact C-N 3.33Å; L569-A571 PolarHBondContact O-N 2.64Å; L569-A572 PolarHBondContact O-N 2.92Å; L569-E573 PolarHBondContact O-N 3.12Å; L569-E573 WeakPolarHBondContact O-CG 3.35Å; L569-E573 WeakPolarHBondContact O-CB 3.49Å
570	N	82.6	Confident	71.3	Confident	81 Å²	81	67.8 Å²	67.8	43%	0.433	37%	0.368	S	S	.	.	H	α-helix	trans	-63.8	-36.9	175.1	-73.2	-31.2	0	0	0	112.6	V566 S567 F568 K574	V566-N570 WeakPolarHBondContact O-CB 3.43Å; V566-N570 PolarHBondContact O-N 2.72Å; V566-N570 PolarHBondContact O-ND2 3.05Å; S567-N570 PolarHBondContact O-N 3.45Å; F568-N570 PolarHBondContact O-N 3.05Å; F568-N570 VanDerWaalsContact C-N 3.3Å; N570-K574 VanDerWaalsContact O-CG 3.31Å; N570-K574 WeakPolarHBondContact O-CG 3.44Å; N570-K574 PolarHBondContact O-N 2.73Å; N570-K574 VanDerWaalsContact O-N 3.12Å
571	A	80.8	Confident	69.3	Low	9 Å²	9	71.9 Å²	71.9	7%	0.074	39%	0.391	C	S	.	.	H	α-helix	trans	-67.6	-43.5	174.7	0	0	0	0	0	111	E533 I536 K537 S567 F568 L569 E573 K574 L575	E533-A571 HydrophobicContact CG-CB 3.85Å; I536-A571 HydrophobicContact CG2-CB 4.09Å; I536-A571 WeakPolarHBondContact CG2-O 3.26Å; K537-A571 HydrophobicContact CG-CB 4.41Å; S567-A571 PolarHBondContact O-N 3.47Å; S567-A571 VanDerWaalsContact O-N 3.08Å; F568-A571 PolarHBondContact O-N 2.87Å; F568-A571 VanDerWaalsContact O-N 3.08Å; F568-A571 WeakPolarHBondContact O-CB 3.45Å; L569-A571 VanDerWaalsContact C-N 3.33Å; L569-A571 PolarHBondContact O-N 2.64Å; A571-E573 PolarHBondContact O-N 2.97Å; A571-K574 PolarHBondContact O-N 3.15Å; A571-L575 PolarHBondContact O-N 3.22Å
572	A	78	Confident	67.3	Low	4 Å²	4	66.2 Å²	66.2	3%	0.033	38%	0.384	C	S	.	.	H	α-helix	trans	-61.9	-42.2	177.5	0	0	0	0	0	112.6	I536 S546 A550 F568 L569 L575 S576	I536-A572 HydrophobicContact CD1-CB 4.18Å; S546-A572 VanDerWaalsContact OG-CA 3.27Å; S546-A572 WeakPolarHBondContact OG-CA 3.42Å; S546-A572 VanDerWaalsContact OG-CB 3.3Å; S546-A572 WeakPolarHBondContact OG-CB 3.33Å; S546-A572 PolarHBondContact OG-O 3.21Å; A550-A572 HydrophobicContact CB-CB 4.23Å; F568-A572 HydrophobicContact CE1-CB 4.24Å; F568-A572 HydrophobicContact CZ-CB 4.48Å; F568-A572 PolarHBondContact O-N 2.88Å; L569-A572 PolarHBondContact O-N 2.92Å; A572-L575 WeakPolarHBondContact O-CB 3.46Å; A572-L575 PolarHBondContact O-N 3.01Å; A572-S576 PolarHBondContact O-N 3.3Å
573	E	77.2	Confident	65.2	Low	75 Å²	75	66.3 Å²	66.3	35%	0.35	40%	0.395	S	S	.	.	H	α-helix	trans	-69	-38.6	178.2	-75.7	174.8	-172.4	0	0	112.8	R554 L569 A571 L575 S576 D577	R554-E573 IonicContact CZ-OE1 3.1Å; R554-E573 IonicContact NH2-OE1 3.83Å; R554-E573 PolarHBondContact NH2-OE1 3.39Å; L569-E573 PolarHBondContact O-N 3.12Å; L569-E573 WeakPolarHBondContact O-CG 3.35Å; L569-E573 WeakPolarHBondContact O-CB 3.49Å; A571-E573 PolarHBondContact O-N 2.97Å; E573-L575 PolarHBondContact O-N 3.44Å; E573-S576 PolarHBondContact O-N 2.73Å; E573-S576 PolarHBondContact O-OG 3.35Å; E573-S576 WeakPolarHBondContact CA-OG 3.35Å; E573-D577 PolarHBondContact O-N 3.25Å
574	K	73.4	Confident	62.9	Low	146 Å²	146	68.9 Å²	68.9	64%	0.635	41%	0.408	S	S	*	.	H	α-helix	trans	-61	-34.2	174.2	-79.3	177.7	-179.1	-178.8	0	112.4	N570 A571 S576 D577 T578	N570-K574 VanDerWaalsContact O-CG 3.31Å; N570-K574 WeakPolarHBondContact O-CG 3.44Å; N570-K574 PolarHBondContact O-N 2.73Å; N570-K574 VanDerWaalsContact O-N 3.12Å; A571-K574 PolarHBondContact O-N 3.15Å; K574-S576 VanDerWaalsContact C-N 3.32Å; K574-D577 PolarHBondContact O-N 3.39Å; K574-T578 PolarHBondContact O-OG1 3Å; K574-T578 VanDerWaalsContact O-N 3.09Å; K574-T578 PolarHBondContact O-N 2.88Å; K574-T578 WeakPolarHBondContact O-CG2 3.45Å; K574-T578 VanDerWaalsContact O-CG2 3.27Å; K574-T578 WeakPolarHBondContact O-CB 3.46Å
575	L	68.6	Low	60.7	Low	20 Å²	20	73.5 Å²	73.5	11%	0.105	43%	0.434	C	S	.	.	H	α-helix	trans	-65.5	-36.2	174.9	-157.7	84.7	0	0	0	111.4	I536 F541 A571 A572 E573 T578	I536-L575 HydrophobicContact CG2-CB 4.35Å; I536-L575 HydrophobicContact CG2-CD1 4.39Å; F541-L575 HydrophobicContact CB-CD2 4.19Å; A571-L575 PolarHBondContact O-N 3.22Å; A572-L575 WeakPolarHBondContact O-CB 3.46Å; A572-L575 PolarHBondContact O-N 3.01Å; E573-L575 PolarHBondContact O-N 3.44Å; L575-T578 PolarHBondContact O-OG1 2.97Å
576	S	61.3	Low	58.2	Low	46 Å²	46	81.4 Å²	81.4	32%	0.322	47%	0.471	S	S	.	.	H	α-helix	trans	-74.9	-33.7	174.3	51.5	0	0	0	0	113.6	A572 E573 K574	A572-S576 PolarHBondContact O-N 3.3Å; E573-S576 PolarHBondContact O-N 2.73Å; E573-S576 PolarHBondContact O-OG 3.35Å; E573-S576 WeakPolarHBondContact CA-OG 3.35Å; K574-S576 VanDerWaalsContact C-N 3.32Å
577	D	55.2	Low	55.7	Low	129 Å²	129	82.3 Å²	82.3	69%	0.69	49%	0.487	S	S	*	.	H	α-helix	trans	-76.8	-29.2	-178.4	-78.3	-14.1	0	0	0	113.3	E573 K574 N579	E573-D577 PolarHBondContact O-N 3.25Å; K574-D577 PolarHBondContact O-N 3.39Å; D577-N579 VanDerWaalsContact C-N 3.3Å; D577-N579 PolarHBondContact O-N 3.2Å
578	T	53.5	Low	53	Low	105 Å²	105	88.6 Å²	88.6	64%	0.644	51%	0.508	S	S	*	.	H	α-helix	trans	-71.7	-22.2	-176.6	42.2	0	0	0	0	113.5	K574 L575	K574-T578 PolarHBondContact O-OG1 3Å; K574-T578 VanDerWaalsContact O-N 3.09Å; K574-T578 PolarHBondContact O-N 2.88Å; K574-T578 WeakPolarHBondContact O-CG2 3.45Å; K574-T578 VanDerWaalsContact O-CG2 3.27Å; K574-T578 WeakPolarHBondContact O-CB 3.46Å; L575-T578 PolarHBondContact O-OG1 2.97Å
579	N	44.6	Very low	50.5	Low	106 Å²	106	97.8 Å²	97.8	57%	0.567	57%	0.568	S	S	*	*	S	Bend	trans	-107.4	62.5	174.9	-71.7	-32.9	0	0	0	111.2	D577	D577-N579 VanDerWaalsContact C-N 3.3Å; D577-N579 PolarHBondContact O-N 3.2Å
580	G	35.8	Very low	48.9	Very low	60 Å²	60	102 Å²	102	62%	0.619	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.6	140.3	-176.7	0	0	0	0	0	115.7	G582	G580-G582 PolarHBondContact O-N 3.23Å
581	N	35	Very low	47.2	Very low	175 Å²	175	103.1 Å²	103.1	94%	0.936	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.5	20.8	162	-74.9	-16.1	0	0	0	118.8	S583	N581-S583 PolarHBondContact O-N 3.08Å
582	G	33.4	Very low	45.3	Very low	62 Å²	62	108.3 Å²	108.3	64%	0.639	63%	0.63	S	S	*	*			trans	-86.3	68.2	170	0	0	0	0	0	114	G580 L584	G580-G582 PolarHBondContact O-N 3.23Å; G582-L584 PolarHBondContact O-N 3.47Å
583	S	32.3	Very low	43.4	Very low	85 Å²	85	114.5 Å²	114.5	59%	0.594	67%	0.666	S	S	*	*			trans	24.8	87.3	158.4	167.1	0	0	0	0	116.1	N581 N585	N581-S583 PolarHBondContact O-N 3.08Å; S583-N585 PolarHBondContact O-N 3.08Å; S583-N585 WeakPolarHBondContact OG-CB 3.39Å; S583-N585 PolarHBondContact OG-ND2 3.37Å
584	L	30.8	Very low	41.3	Very low	172 Å²	172	116.9 Å²	116.9	90%	0.901	69%	0.685	S	S	*	*			trans	-59	71.7	157.3	-91.2	144.3	0	0	0	109.8	G582	G582-L584 PolarHBondContact O-N 3.47Å
585	N	29.3	Very low	39.1	Very low	119 Å²	119	115 Å²	115	64%	0.636	69%	0.689	S	S	*	*			trans	-107	102	170.6	-94.8	-42.6	0	0	0	108.7	S583	S583-N585 PolarHBondContact O-N 3.08Å; S583-N585 WeakPolarHBondContact OG-CB 3.39Å; S583-N585 PolarHBondContact OG-ND2 3.37Å
586	Q	28.5	Very low	37	Very low	168 Å²	168	121.8 Å²	121.8	79%	0.785	73%	0.73	S	S	*	*			trans	68.2	55.9	148.3	-50.9	-175.6	14.4	0	0	116.5	K588	Q586-K588 VanDerWaalsContact C-N 3.3Å; Q586-K588 PolarHBondContact O-N 3.01Å
587	A	28	Very low	35.2	Very low	102 Å²	102	127.6 Å²	127.6	84%	0.843	76%	0.762	S	S	*	*			trans	-77.7	92.7	140.4	0	0	0	0	0	106.8
588	K	23.3	Very low	33.5	Very low	183 Å²	183	127.5 Å²	127.5	80%	0.796	77%	0.768	S	S	*	*			trans	-62.3	145.5	164.2	-94.6	-177.5	176.6	179.1	0	108.4	Q586	Q586-K588 VanDerWaalsContact C-N 3.3Å; Q586-K588 PolarHBondContact O-N 3.01Å
589	P	27.5	Very low	31.7	Very low	193 Å²	193	129.5 Å²	129.5	100%	1.253	78%	0.779	S	S	*	*			trans	-57.9	0	-166.1	26.5	-37.3	0	0	0	113.9

Retrieved 589 of 589 residues in 589.7 ms (Link to these results)

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