A0A077YYZ1_TRITR Loading...

tRNA-dihydrouridine(16/17) synthase [NAD(P)(+)]

AlphaFold DB , UniProt , Accession A0A077YYZ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 414 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	28.6	Very low	28.4	Very low	233 Å²	233	142.6 Å²	142.6	100%	1.148	78%	0.778	S	S	*	*				0	132.4	0	-100.6	-164.9	-86.6	0	0	108.4
2	I	30.9	Very low	28.3	Very low	163 Å²	163	148.5 Å²	148.5	84%	0.836	78%	0.78	S	S	*	*			trans	73.8	113.8	164	-53.5	174.6	0	0	0	117.2
3	A	27.3	Very low	28.6	Very low	74 Å²	74	151.5 Å²	151.5	61%	0.612	79%	0.787	S	S	*	*			trans	-51.9	135.4	164.6	0	0	0	0	0	112.3	E5	A3-E5 VanDerWaalsContact C-N 3.27Å; A3-E5 HydrophobicContact CB-CG 4.18Å; A3-E5 PolarHBondContact O-N 2.9Å
4	S	31	Very low	29.4	Very low	116 Å²	116	145.2 Å²	145.2	81%	0.811	75%	0.748	S	S	*	*			trans	-79.2	92.1	139.2	60.9	0	0	0	0	106.3	N6	S4-N6 PolarHBondContact O-N 3.45Å; S4-N6 VanDerWaalsContact O-N 3.07Å
5	E	25.6	Very low	30.8	Very low	171 Å²	171	138.9 Å²	138.9	80%	0.799	72%	0.722	S	S	*	*			trans	-52.2	112.8	155.8	-67.9	-176.7	165.3	0	0	106.3	A3 P7	A3-E5 VanDerWaalsContact C-N 3.27Å; A3-E5 HydrophobicContact CB-CG 4.18Å; A3-E5 PolarHBondContact O-N 2.9Å; E5-P7 VanDerWaalsContact O-CD 3.26Å; E5-P7 WeakPolarHBondContact O-CD 3.5Å
6	N	31	Very low	32.2	Very low	136 Å²	136	131.1 Å²	131.1	73%	0.727	68%	0.681	S	S	*	*			trans	-90.2	99.2	168	-166.9	-6.6	0	0	0	105.6	S4 G8	S4-N6 PolarHBondContact O-N 3.45Å; S4-N6 VanDerWaalsContact O-N 3.07Å; N6-G8 VanDerWaalsContact C-N 3.34Å; N6-G8 PolarHBondContact O-N 3.05Å; N6-G8 VanDerWaalsContact O-N 3.08Å
7	P	33.3	Very low	33.3	Very low	125 Å²	125	132.2 Å²	132.2	81%	0.812	68%	0.68	S	S	*	*			trans	-84.6	85.8	-179.9	30.3	-17.3	0	0	0	106.5	E5	E5-P7 VanDerWaalsContact O-CD 3.26Å; E5-P7 WeakPolarHBondContact O-CD 3.5Å
8	G	26.1	Very low	34	Very low	48 Å²	48	127.4 Å²	127.4	50%	0.495	66%	0.663	S	S	.	*			trans	-177	19.6	-172.8	0	0	0	0	0	120.4	N6	N6-G8 VanDerWaalsContact C-N 3.34Å; N6-G8 PolarHBondContact O-N 3.05Å; N6-G8 VanDerWaalsContact O-N 3.08Å
9	L	27.6	Very low	34.9	Very low	133 Å²	133	121.5 Å²	121.5	70%	0.696	63%	0.633	S	S	*	*			trans	-143.8	67.6	163.2	-85.9	104.6	0	0	0	110.8	W11	L9-W11 VanDerWaalsContact CD2-CD1 3.48Å; L9-W11 PolarHBondContact O-N 2.9Å; L9-W11 VanDerWaalsContact O-N 3.09Å
10	L	23.2	Very low	35.7	Very low	150 Å²	150	116.9 Å²	116.9	79%	0.785	61%	0.61	S	S	*	*			trans	-76.4	43.9	160.2	-88.4	164.1	0	0	0	111.1	R12	L10-R12 HydrophobicContact CD2-CG 4.28Å; L10-R12 PolarHBondContact O-N 3.12Å
11	W	27.5	Very low	36.2	Very low	220 Å²	220	118.5 Å²	118.5	83%	0.833	62%	0.615	S	S	*	*			trans	-77.2	63.6	165	-61.8	98.7	0	0	0	108.9	L9	L9-W11 VanDerWaalsContact CD2-CD1 3.48Å; L9-W11 PolarHBondContact O-N 2.9Å; L9-W11 VanDerWaalsContact O-N 3.09Å
12	R	27	Very low	36.6	Very low	213 Å²	213	111.6 Å²	111.6	80%	0.804	59%	0.585	S	S	*	*			trans	-84.6	123.6	170.2	-73.7	-173.7	174.8	-160.1	-0.1	107.9	L10	L10-R12 HydrophobicContact CD2-CG 4.28Å; L10-R12 PolarHBondContact O-N 3.12Å
13	Q	32.8	Very low	37	Very low	187 Å²	187	105.6 Å²	105.6	87%	0.874	56%	0.558	S	S	*	*			trans	61	79.8	174	-84.2	173.3	-28.5	0	0	115.5	S15	Q13-S15 PolarHBondContact O-N 2.76Å
14	W	39.8	Very low	37.6	Very low	64 Å²	64	111.1 Å²	111.1	24%	0.242	57%	0.571	C	S	.	*			trans	-55.6	130.6	150.4	-173.8	85.6	0	0	0	108.9	I16 V19 P80 D105 A106 P147	W14-I16 HydrophobicContact CH2-CB 4.39Å; W14-I16 HydrophobicContact CH2-CG1 3.47Å; W14-I16 VanDerWaalsContact CH2-CG1 3.47Å; W14-I16 HydrophobicContact CZ3-CB 4.5Å; W14-I16 HydrophobicContact CZ3-CD1 4.44Å; W14-I16 HydrophobicContact CZ3-CG1 3.48Å; W14-I16 VanDerWaalsContact CZ3-CG1 3.48Å; W14-V19 VanDerWaalsContact CE2-CG2 3.47Å; W14-V19 HydrophobicContact CZ2-CB 4.17Å; W14-V19 HydrophobicContact CZ2-CG2 3.54Å; W14-P80 HydrophobicContact CZ2-CB 4.34Å; W14-P80 VanDerWaalsContact NE1-CB 3.26Å; W14-D105 HydrophobicContact CB-CB 4.48Å; W14-D105 HydrophobicContact CD2-CB 3.85Å; W14-D105 HydrophobicContact CE3-CB 4.05Å; W14-D105 HydrophobicContact CG-CB 4.04Å; W14-D105 WeakPolarHBondContact CZ3-O 3.41Å; W14-A106 HydrophobicContact CH2-CB 4.23Å; W14-A106 HydrophobicContact CZ3-CB 3.99Å; W14-P147 HydrophobicContact CE3-CG 4.28Å; W14-P147 HydrophobicContact CZ3-CB 4.41Å; W14-P147 HydrophobicContact CZ3-CG 3.92Å
15	S	50.9	Low	38.2	Very low	51 Å²	51	114.5 Å²	114.5	36%	0.357	57%	0.571	S	S	.	*			trans	-122.3	143.4	167.1	75.8	0	0	0	0	108.4	Q13 K17 A18 V19	Q13-S15 PolarHBondContact O-N 2.76Å; S15-K17 PolarHBondContact O-N 2.95Å; S15-K17 VanDerWaalsContact O-N 3.09Å; S15-A18 WeakPolarHBondContact O-CB 3.26Å; S15-A18 PolarHBondContact O-N 3.31Å; S15-A18 PolarHBondContact OG-N 2.99Å; S15-V19 PolarHBondContact O-N 2.89Å
16	I	53.2	Low	39.1	Very low	13 Å²	13	107.3 Å²	107.3	7%	0.067	54%	0.538	C	S	.	.	H	α-helix	trans	-51.2	-35.3	172.9	-74.5	166	0	0	0	110.7	W14 A18 V19 V20 P147 T149 E174 L175 P208	W14-I16 HydrophobicContact CH2-CB 4.39Å; W14-I16 HydrophobicContact CH2-CG1 3.47Å; W14-I16 VanDerWaalsContact CH2-CG1 3.47Å; W14-I16 HydrophobicContact CZ3-CB 4.5Å; W14-I16 HydrophobicContact CZ3-CD1 4.44Å; W14-I16 HydrophobicContact CZ3-CG1 3.48Å; W14-I16 VanDerWaalsContact CZ3-CG1 3.48Å; I16-A18 PolarHBondContact O-N 3.42Å; I16-V19 PolarHBondContact O-N 3.19Å; I16-V20 HydrophobicContact CG2-CG2 4.38Å; I16-V20 WeakPolarHBondContact O-CG2 3.26Å; I16-V20 PolarHBondContact O-N 3.2Å; I16-V20 VanDerWaalsContact O-N 3.09Å; I16-P147 HydrophobicContact CD1-CB 3.44Å; I16-P147 VanDerWaalsContact CD1-CB 3.44Å; I16-P147 HydrophobicContact CD1-CG 4Å; I16-P147 HydrophobicContact CG1-CB 4.14Å; I16-P147 HydrophobicContact CG1-CG 4.24Å; I16-T149 HydrophobicContact CD1-CG2 4.18Å; I16-E174 HydrophobicContact CD1-CB 3.4Å; I16-E174 VanDerWaalsContact CD1-CB 3.4Å; I16-L175 HydrophobicContact CD1-CB 4.02Å; I16-L175 HydrophobicContact CG2-CB 4.21Å; I16-L175 HydrophobicContact CG2-CD1 3.84Å; I16-P208 HydrophobicContact CG2-CB 4.36Å; I16-P208 HydrophobicContact CG2-CG 3.83Å
17	K	49.4	Very low	39.7	Very low	151 Å²	151	110 Å²	110	66%	0.657	54%	0.543	S	S	*	.	H	α-helix	trans	-58.8	-44.1	175.5	-68.1	-173.8	176.7	-176	0	112.6	S15 V19 V20 E21	S15-K17 PolarHBondContact O-N 2.95Å; S15-K17 VanDerWaalsContact O-N 3.09Å; K17-V19 VanDerWaalsContact C-N 3.27Å; K17-V19 PolarHBondContact O-N 2.92Å; K17-V20 PolarHBondContact O-N 3.42Å; K17-V20 VanDerWaalsContact O-N 3.11Å; K17-E21 WeakPolarHBondContact O-CG 3.44Å; K17-E21 PolarHBondContact O-N 3.44Å; K17-E21 VanDerWaalsContact O-N 3.08Å
18	A	47.6	Very low	40.5	Very low	46 Å²	46	105.2 Å²	105.2	38%	0.38	51%	0.512	S	S	.	.	H	α-helix	trans	-64.2	-31.2	180	0	0	0	0	0	112.6	S15 I16 V22	S15-A18 WeakPolarHBondContact O-CB 3.26Å; S15-A18 PolarHBondContact O-N 3.31Å; S15-A18 PolarHBondContact OG-N 2.99Å; I16-A18 PolarHBondContact O-N 3.42Å; A18-V22 WeakPolarHBondContact O-CG2 3.38Å
19	V	50	Low	41.9	Very low	14 Å²	14	103 Å²	103	9%	0.085	49%	0.488	C	S	.	.	H	α-helix	trans	-75.2	-36.1	172.9	169.8	0	0	0	0	111.8	W14 S15 I16 K17 E21 P29 L50 P80	W14-V19 VanDerWaalsContact CE2-CG2 3.47Å; W14-V19 HydrophobicContact CZ2-CB 4.17Å; W14-V19 HydrophobicContact CZ2-CG2 3.54Å; S15-V19 PolarHBondContact O-N 2.89Å; I16-V19 PolarHBondContact O-N 3.19Å; K17-V19 VanDerWaalsContact C-N 3.27Å; K17-V19 PolarHBondContact O-N 2.92Å; V19-E21 PolarHBondContact O-N 2.71Å; V19-P29 HydrophobicContact CG1-CB 3.65Å; V19-P29 HydrophobicContact CG1-CG 4.17Å; V19-P29 WeakPolarHBondContact O-CB 3.38Å; V19-P29 WeakPolarHBondContact O-CD 3.43Å; V19-P29 WeakPolarHBondContact O-CG 3.41Å; V19-L50 HydrophobicContact CG1-CB 4.42Å; V19-L50 HydrophobicContact CG1-CD2 4.37Å; V19-P80 HydrophobicContact CG2-CG 4.1Å
20	V	50.4	Low	43.5	Very low	29 Å²	29	96.6 Å²	96.6	18%	0.176	46%	0.455	C	S	.	.	H	α-helix	trans	-64.2	-25	175.5	175.6	0	0	0	0	112.4	I16 K17 P29 P208 F210 D231	I16-V20 HydrophobicContact CG2-CG2 4.38Å; I16-V20 WeakPolarHBondContact O-CG2 3.26Å; I16-V20 PolarHBondContact O-N 3.2Å; I16-V20 VanDerWaalsContact O-N 3.09Å; K17-V20 PolarHBondContact O-N 3.42Å; K17-V20 VanDerWaalsContact O-N 3.11Å; V20-P29 HydrophobicContact CG2-CG 4.42Å; V20-P29 WeakPolarHBondContact O-CD 3.49Å; V20-P208 HydrophobicContact CG2-CB 3.82Å; V20-P208 HydrophobicContact CG2-CG 3.86Å; V20-F210 HydrophobicContact CG2-CE1 4.43Å; V20-D231 HydrophobicContact CG1-CB 3.92Å; V20-D231 HydrophobicContact CG2-CB 4.47Å
21	E	47.7	Very low	45.2	Very low	152 Å²	152	89.5 Å²	89.5	71%	0.71	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	1.6	-175.5	-72.5	174.5	-175.2	0	0	115.4	K17 V19	K17-E21 WeakPolarHBondContact O-CG 3.44Å; K17-E21 PolarHBondContact O-N 3.44Å; K17-E21 VanDerWaalsContact O-N 3.08Å; V19-E21 PolarHBondContact O-N 2.71Å
22	V	36.4	Very low	46.9	Very low	87 Å²	87	79 Å²	79	53%	0.527	38%	0.378	S	S	.	.			trans	-116.2	117.3	-170.9	178.9	0	0	0	0	113.8	A18	A18-V22 WeakPolarHBondContact O-CG2 3.38Å
23	S	39.1	Very low	48.6	Very low	37 Å²	37	70.4 Å²	70.4	26%	0.259	35%	0.348	S	S	.	.			trans	174.1	139.1	135.1	154.7	0	0	0	0	109.4	F25 L26	S23-F25 VanDerWaalsContact C-N 3.32Å; S23-F25 PolarHBondContact O-N 3.45Å; S23-F25 PolarHBondContact OG-N 2.96Å; S23-L26 CarbonylContact C-O 3.53Å; S23-L26 WeakPolarHBondContact CA-O 3.42Å; S23-L26 WeakPolarHBondContact CB-O 3.43Å; S23-L26 CarbonylContact O-C 3.54Å; S23-L26 PolarHBondContact OG-N 3.15Å; S23-L26 PolarHBondContact OG-O 2.94Å; S23-L26 VanDerWaalsContact OG-O 3.12Å
24	E	40.2	Very low	50.1	Low	190 Å²	190	63.1 Å²	63.1	89%	0.888	32%	0.318	S	S	*	.	S	Bend	trans	-72	-24.5	-177.7	-76.1	-171	154.4	0	0	113.1
25	F	42.5	Very low	52.2	Low	188 Å²	188	60.3 Å²	60.3	83%	0.825	31%	0.308	S	S	*	.	S	Bend	trans	-103.8	-30.7	-176.3	-72.2	-83.6	0	0	0	113.2	S23	S23-F25 VanDerWaalsContact C-N 3.32Å; S23-F25 PolarHBondContact O-N 3.45Å; S23-F25 PolarHBondContact OG-N 2.96Å
26	L	44.7	Very low	54.2	Low	20 Å²	20	59.3 Å²	59.3	11%	0.105	30%	0.297	C	S	.	.	S	Bend	trans	-122.9	118.6	170.7	-77.6	121.1	0	0	0	105.8	S23 V28 T30 F218 I221 F225	S23-L26 CarbonylContact C-O 3.53Å; S23-L26 WeakPolarHBondContact CA-O 3.42Å; S23-L26 WeakPolarHBondContact CB-O 3.43Å; S23-L26 CarbonylContact O-C 3.54Å; S23-L26 PolarHBondContact OG-N 3.15Å; S23-L26 PolarHBondContact OG-O 2.94Å; S23-L26 VanDerWaalsContact OG-O 3.12Å; L26-V28 HydrophobicContact CB-CG2 4.4Å; L26-V28 PolarHBondContact O-N 3.47Å; L26-T30 HydrophobicContact CD1-CG2 4.24Å; L26-T30 HydrophobicContact CD2-CG2 4.4Å; L26-F218 HydrophobicContact CD1-CE2 3.98Å; L26-F218 HydrophobicContact CD1-CZ 4.42Å; L26-I221 HydrophobicContact CD2-CB 4.16Å; L26-I221 HydrophobicContact CD2-CD1 4.25Å; L26-I221 HydrophobicContact CD2-CG2 3.25Å; L26-F225 HydrophobicContact CD2-CE2 4.03Å
27	K	43.8	Very low	56.2	Low	191 Å²	191	58.8 Å²	58.8	83%	0.83	30%	0.295	S	S	*	.	S	Bend	trans	-68	26.6	-178.9	-66.6	-175.3	175.2	-179.1	0	114.2
28	V	50.2	Low	58.5	Low	26 Å²	26	51.8 Å²	51.8	16%	0.158	27%	0.265	C	S	.	.	S	Bend	trans	-163	146.7	-166.4	-78.8	0	0	0	0	111.6	L26 T30 F225 D231	L26-V28 HydrophobicContact CB-CG2 4.4Å; L26-V28 PolarHBondContact O-N 3.47Å; V28-T30 PolarHBondContact O-N 2.98Å; V28-F225 HydrophobicContact CB-CE1 4.4Å; V28-F225 HydrophobicContact CB-CE2 4.43Å; V28-F225 HydrophobicContact CB-CZ 4Å; V28-F225 HydrophobicContact CG2-CD2 3.97Å; V28-F225 HydrophobicContact CG2-CE1 3.82Å; V28-F225 HydrophobicContact CG2-CE2 3.14Å; V28-F225 HydrophobicContact CG2-CZ 3.09Å; V28-D231 WeakPolarHBondContact CG1-O 2.89Å
29	P	56.8	Low	60.7	Low	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.247	C	C	.	.			trans	-63.5	131.5	179.2	23.8	-36.3	0	0	0	112.8	V19 V20 F210 D231 G232 V233	V19-P29 HydrophobicContact CG1-CB 3.65Å; V19-P29 HydrophobicContact CG1-CG 4.17Å; V19-P29 WeakPolarHBondContact O-CB 3.38Å; V19-P29 WeakPolarHBondContact O-CD 3.43Å; V19-P29 WeakPolarHBondContact O-CG 3.41Å; V20-P29 HydrophobicContact CG2-CG 4.42Å; V20-P29 WeakPolarHBondContact O-CD 3.49Å; P29-F210 HydrophobicContact CB-CZ 4.11Å; P29-F210 HydrophobicContact CG-CE1 3.6Å; P29-F210 HydrophobicContact CG-CZ 3.55Å; P29-D231 WeakPolarHBondContact CD-O 3.46Å; P29-D231 WeakPolarHBondContact CG-O 3.09Å; P29-G232 WeakPolarHBondContact O-CA 3.3Å; P29-V233 PolarHBondContact O-N 3.15Å
30	T	60.8	Low	62.9	Low	0 Å²	0	49 Å²	49	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	132.5	165.3	61.7	0	0	0	0	110.1	L26 V28 G47 D49 L50 V233 F246	L26-T30 HydrophobicContact CD1-CG2 4.24Å; L26-T30 HydrophobicContact CD2-CG2 4.4Å; V28-T30 PolarHBondContact O-N 2.98Å; T30-G47 PolarHBondContact OG1-O 3.46Å; T30-D49 PolarHBondContact N-OD2 3.29Å; T30-D49 PolarHBondContact O-N 3.03Å; T30-D49 VanDerWaalsContact O-N 3.11Å; T30-D49 PolarHBondContact OG1-OD2 3.25Å; T30-L50 PolarHBondContact O-N 3.44Å; T30-V233 HydrophobicContact CG2-CG2 4.19Å; T30-F246 HydrophobicContact CG2-CD1 3.5Å; T30-F246 HydrophobicContact CG2-CE1 3.78Å; T30-F246 HydrophobicContact CG2-CG 4.13Å
31	V	59.3	Low	65	Low	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.8	-172.7	-173	0	0	0	0	110.7	L50 Y52 F210 V233 M234 S235	V31-L50 WeakPolarHBondContact CA-O 3.26Å; V31-L50 HydrophobicContact CG1-CB 4.41Å; V31-L50 HydrophobicContact CG1-CD2 4.14Å; V31-L50 HydrophobicContact CG1-CG 4.26Å; V31-L50 HydrophobicContact CG2-CB 4.11Å; V31-L50 HydrophobicContact CG2-CD2 3.88Å; V31-L50 HydrophobicContact CG2-CG 4.44Å; V31-Y52 HydrophobicContact CG1-CD2 3.48Å; V31-Y52 VanDerWaalsContact CG1-CD2 3.48Å; V31-Y52 HydrophobicContact CG1-CE2 3.33Å; V31-F210 HydrophobicContact CB-CD2 4.42Å; V31-F210 HydrophobicContact CG2-CD2 3.46Å; V31-F210 VanDerWaalsContact CG2-CD2 3.46Å; V31-F210 HydrophobicContact CG2-CE2 3.26Å; V31-F210 HydrophobicContact CG2-CG 4.33Å; V31-F210 HydrophobicContact CG2-CZ 3.97Å; V31-V233 WeakPolarHBondContact CA-O 3.48Å; V31-V233 WeakPolarHBondContact CB-O 3.4Å; V31-V233 PolarHBondContact N-O 3.15Å; V31-M234 HydrophobicContact CB-CB 4.05Å; V31-M234 HydrophobicContact CB-CG 4.31Å; V31-M234 HydrophobicContact CG1-CB 4.31Å; V31-M234 HydrophobicContact CG1-CE 3.64Å; V31-M234 HydrophobicContact CG1-CG 4.12Å; V31-M234 CarbonylContact O-C 2.94Å; V31-M234 VanDerWaalsContact O-CA 3.27Å; V31-M234 WeakPolarHBondContact O-CA 3.42Å; V31-S235 PolarHBondContact O-N 2.8Å
32	F	63.3	Low	67.3	Low	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	139.3	175.8	169.8	-107.3	0	0	0	112.5	W39 R40 C43 A48 L50 C51 Y52 N239 L240	F32-W39 AromaticContact CE1-CD1 3.34Å; F32-W39 HydrophobicContact CE1-CG 4.44Å; F32-W39 AromaticContact CE1-NE1 3.95Å; F32-W39 AromaticContact CE2-CD1 3.63Å; F32-W39 AromaticContact CE2-NE1 3.3Å; F32-W39 VanDerWaalsContact CE2-NE1 3.3Å; F32-W39 AromaticContact CZ-CD1 2.91Å; F32-W39 HydrophobicContact CZ-CG 4.07Å; F32-W39 AromaticContact CZ-NE1 3.11Å; F32-R40 HydrophobicContact CD1-CG 4.42Å; F32-R40 HydrophobicContact CE1-CG 4.27Å; F32-C43 HydrophobicContact CB-CB 4.17Å; F32-C43 HydrophobicContact CD1-CB 4.12Å; F32-C43 HydrophobicContact CD2-CB 4.48Å; F32-C43 VanDerWaalsContact CD2-SG 3.59Å; F32-C43 HydrophobicContact CG-CB 3.95Å; F32-C43 VanDerWaalsContact CG-SG 3.56Å; F32-A48 HydrophobicContact CB-CB 4.2Å; F32-L50 PolarHBondContact N-O 2.84Å; F32-C51 HydrophobicContact CD1-CB 4.43Å; F32-Y52 PolarHBondContact O-N 2.92Å; F32-N239 HydrophobicContact CD2-CB 3.78Å; F32-N239 WeakPolarHBondContact CD2-OD1 3.31Å; F32-N239 HydrophobicContact CE2-CB 4Å; F32-N239 VanDerWaalsContact CE2-CG 3.49Å; F32-N239 WeakPolarHBondContact CE2-OD1 3.4Å; F32-L240 HydrophobicContact CE2-CD2 4.45Å; F32-L240 HydrophobicContact CZ-CD2 4.46Å
33	I	61	Low	70.1	Confident	32 Å²	32	37.4 Å²	37.4	16%	0.164	18%	0.181	C	C	.	.			trans	-74.9	130.8	176.6	-77.2	-136.7	0	0	0	113.3	S35 M234 S235 A236	I33-S35 PolarHBondContact O-N 2.87Å; I33-M234 HydrophobicContact CD1-CG 4.19Å; I33-M234 HydrophobicContact CD1-SD 3.7Å; I33-M234 HydrophobicContact CG1-CG 3.53Å; I33-M234 HydrophobicContact CG1-SD 3.53Å; I33-M234 VanDerWaalsContact CG1-SD 3.53Å; I33-S235 PolarHBondContact N-O 3.42Å; I33-S235 VanDerWaalsContact N-O 3.14Å; I33-A236 HydrophobicContact CB-CB 3.9Å; I33-A236 HydrophobicContact CD1-CB 3.47Å; I33-A236 VanDerWaalsContact CD1-CB 3.47Å; I33-A236 HydrophobicContact CG1-CB 3.56Å; I33-A236 HydrophobicContact CG2-CB 4.2Å
34	S	65.7	Low	72.6	Confident	35 Å²	35	37.6 Å²	37.6	25%	0.245	18%	0.176	C	C	.	.	S	Bend	trans	18.4	84.5	146.9	-60	0	0	0	0	118.4	Y52 S53	S34-Y52 WeakPolarHBondContact CA-O 3.37Å; S34-Y52 PolarHBondContact N-O 3.04Å; S34-S53 WeakPolarHBondContact CA-O 3.33Å; S34-S53 WeakPolarHBondContact CB-O 3.35Å; S34-S53 PolarHBondContact OG-O 3.26Å
35	S	83	Confident	75.1	Confident	5 Å²	5	35.3 Å²	35.3	4%	0.035	16%	0.16	C	C	.	.			trans	-143.4	167.2	168.8	-165.3	0	0	0	0	111	I33 W39 R40 P54 H277	I33-S35 PolarHBondContact O-N 2.87Å; S35-W39 VanDerWaalsContact OG-CB 3.24Å; S35-W39 WeakPolarHBondContact OG-CB 3.42Å; S35-R40 WeakPolarHBondContact O-CG 3.5Å; S35-R40 PolarHBondContact O-NH1 3.14Å; S35-P54 WeakPolarHBondContact O-CD 3.21Å; S35-H277 PolarHBondContact OG-CE1 3.01Å; S35-H277 PolarHBondContact OG-NE2 3.16Å
36	E	93.2	Very high	77.5	Confident	29 Å²	29	27 Å²	27	14%	0.136	12%	0.123	C	C	.	.			trans	-65.3	164.6	176	73.7	-70.9	163.3	0	0	112.9	P38 W39 R40 Y260 C269 H277	E36-P38 HydrophobicContact CG-CG 4.42Å; E36-W39 PolarHBondContact O-N 2.86Å; E36-R40 PolarHBondContact O-N 3.09Å; E36-R40 VanDerWaalsContact O-N 3.15Å; E36-Y260 PolarHBondContact OE1-OH 3.33Å; E36-C269 HydrophobicContact CB-CB 4.49Å; E36-C269 HydrophobicContact CG-CB 3.78Å; E36-H277 VanDerWaalsContact CD-NE2 3.26Å; E36-H277 IonicContact OE1-CD2 3.97Å; E36-H277 PolarHBondContact OE1-CD2 3.02Å; E36-H277 IonicContact OE1-NE2 3.33Å; E36-H277 PolarHBondContact OE1-NE2 3.11Å; E36-H277 IonicContact OE2-CD2 3.8Å; E36-H277 IonicContact OE2-NE2 2.63Å; E36-H277 PolarHBondContact OE2-NE2 3.13Å
37	L	95.8	Very high	79.6	Confident	3 Å²	3	27.6 Å²	27.6	2%	0.016	13%	0.134	C	C	.	.	H	α-helix	trans	-47.6	-52.2	-172.6	172.7	63.1	0	0	0	113.5	W39 R40 M41 V73 C75 D78 Y267	L37-W39 VanDerWaalsContact C-N 3.27Å; L37-W39 PolarHBondContact O-N 3.29Å; L37-W39 VanDerWaalsContact O-N 3.16Å; L37-R40 PolarHBondContact O-N 3.26Å; L37-M41 HydrophobicContact CD1-CG 3.65Å; L37-M41 HydrophobicContact CD1-SD 3.78Å; L37-M41 HydrophobicContact CG-CG 4.19Å; L37-M41 WeakPolarHBondContact O-CG 3.38Å; L37-M41 PolarHBondContact O-N 3.47Å; L37-V73 HydrophobicContact CD2-CG1 3.93Å; L37-C75 HydrophobicContact CD2-CB 4.33Å; L37-D78 HydrophobicContact CD1-CB 3.68Å; L37-D78 WeakPolarHBondContact CD1-OD2 3.34Å; L37-Y267 HydrophobicContact CD2-CD1 3.53Å; L37-Y267 HydrophobicContact CD2-CE1 4.16Å; L37-Y267 HydrophobicContact CD2-CG 3.81Å; L37-Y267 HydrophobicContact CG-CD1 4.41Å; L37-Y267 HydrophobicContact CG-CG 4.24Å
38	P	96.2	Very high	81.8	Confident	3 Å²	3	18.8 Å²	18.8	2%	0.019	10%	0.097	C	C	.	.	H	α-helix	trans	-48.3	-44.5	177.1	-35.4	34.8	0	0	0	115.9	E36 M41 L42 Y260 I263 V264 Y267 C269	E36-P38 HydrophobicContact CG-CG 4.42Å; P38-M41 PolarHBondContact O-N 3.23Å; P38-L42 PolarHBondContact O-N 2.76Å; P38-Y260 HydrophobicContact CB-CD2 4.24Å; P38-Y260 HydrophobicContact CB-CE2 3.63Å; P38-I263 HydrophobicContact CB-CG2 3.97Å; P38-V264 HydrophobicContact CB-CG2 3.75Å; P38-V264 HydrophobicContact CG-CG2 4.06Å; P38-Y267 WeakPolarHBondContact CG-O 3.36Å; P38-C269 HydrophobicContact CG-CB 4.3Å
39	W	95.6	Very high	83.7	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-75.5	-36.4	-178.1	-167.9	-75.6	0	0	0	111.4	F32 S35 E36 L37 M41 L42 C43 N239 L240 P243 Y260 H277 L281	F32-W39 AromaticContact CE1-CD1 3.34Å; F32-W39 HydrophobicContact CE1-CG 4.44Å; F32-W39 AromaticContact CE1-NE1 3.95Å; F32-W39 AromaticContact CE2-CD1 3.63Å; F32-W39 AromaticContact CE2-NE1 3.3Å; F32-W39 VanDerWaalsContact CE2-NE1 3.3Å; F32-W39 AromaticContact CZ-CD1 2.91Å; F32-W39 HydrophobicContact CZ-CG 4.07Å; F32-W39 AromaticContact CZ-NE1 3.11Å; S35-W39 VanDerWaalsContact OG-CB 3.24Å; S35-W39 WeakPolarHBondContact OG-CB 3.42Å; E36-W39 PolarHBondContact O-N 2.86Å; L37-W39 VanDerWaalsContact C-N 3.27Å; L37-W39 PolarHBondContact O-N 3.29Å; L37-W39 VanDerWaalsContact O-N 3.16Å; W39-M41 VanDerWaalsContact C-N 3.3Å; W39-M41 PolarHBondContact O-N 3.21Å; W39-L42 HydrophobicContact CD2-CD2 4.47Å; W39-L42 HydrophobicContact CE3-CD2 4.16Å; W39-L42 HydrophobicContact CH2-CD2 4.28Å; W39-L42 HydrophobicContact CZ3-CD2 4.04Å; W39-L42 WeakPolarHBondContact O-CB 3.48Å; W39-L42 PolarHBondContact O-N 2.72Å; W39-C43 PolarHBondContact NE1-SG 2.73Å; W39-C43 PolarHBondContact O-N 3.31Å; W39-C43 PolarHBondContact O-SG 3.32Å; W39-N239 PolarHBondContact NE1-OD1 3.45Å; W39-L240 HydrophobicContact CZ2-CD2 4.1Å; W39-P243 HydrophobicContact CH2-CG 4.21Å; W39-P243 HydrophobicContact CZ2-CB 4.08Å; W39-P243 HydrophobicContact CZ2-CG 4.24Å; W39-Y260 HydrophobicContact CB-CE2 3.99Å; W39-Y260 HydrophobicContact CD2-CE2 4.45Å; W39-Y260 AromaticContact CE3-CD2 3.57Å; W39-Y260 HydrophobicContact CE3-CD2 3.57Å; W39-Y260 AromaticContact CE3-CE2 3.63Å; W39-Y260 HydrophobicContact CE3-CE2 3.63Å; W39-Y260 HydrophobicContact CE3-CG 4.1Å; W39-Y260 HydrophobicContact CZ3-CD2 4.16Å; W39-Y260 HydrophobicContact CZ3-CG 4.25Å; W39-H277 AromaticContact CD2-CE1 3.86Å; W39-H277 AromaticContact CD2-CG 3.96Å; W39-H277 AromaticContact CD2-ND1 3.64Å; W39-H277 HydrophobicContact CE3-CB 3.61Å; W39-H277 AromaticContact CE3-CD2 3.98Å; W39-H277 AromaticContact CE3-CG 3.41Å; W39-H277 VanDerWaalsContact CE3-CG 3.41Å; W39-H277 AromaticContact CE3-ND1 3.53Å; W39-H277 AromaticContact CG-CE1 3.94Å; W39-H277 HydrophobicContact CH2-CB 4.47Å; W39-H277 HydrophobicContact CZ3-CB 3.57Å; W39-H277 AromaticContact CZ3-CG 3.84Å; W39-H277 AromaticContact CZ3-ND1 3.96Å; W39-L281 HydrophobicContact CH2-CD1 3.89Å; W39-L281 HydrophobicContact CH2-CD2 3.88Å; W39-L281 HydrophobicContact CH2-CG 3.77Å; W39-L281 HydrophobicContact CZ3-CD1 3.88Å; W39-L281 HydrophobicContact CZ3-CG 4.21Å
40	R	95.4	Very high	85.4	Confident	3 Å²	3	19.7 Å²	19.7	1%	0.011	10%	0.101	C	C	.	.	H	α-helix	trans	-60.1	-42.6	172.3	-63.7	-166.9	-57.8	-98.1	6.7	111	F32 S35 E36 L37 C43 R44 C51 Y52 V73 D78	F32-R40 HydrophobicContact CD1-CG 4.42Å; F32-R40 HydrophobicContact CE1-CG 4.27Å; S35-R40 WeakPolarHBondContact O-CG 3.5Å; S35-R40 PolarHBondContact O-NH1 3.14Å; E36-R40 PolarHBondContact O-N 3.09Å; E36-R40 VanDerWaalsContact O-N 3.15Å; L37-R40 PolarHBondContact O-N 3.26Å; R40-C43 PolarHBondContact O-N 3.41Å; R40-R44 WeakPolarHBondContact O-CG 3.34Å; R40-R44 PolarHBondContact O-N 2.72Å; R40-C51 HydrophobicContact CB-CB 4.02Å; R40-C51 HydrophobicContact CG-CB 3.96Å; R40-Y52 WeakPolarHBondContact CD-O 3.5Å; R40-V73 PolarHBondContact NH2-O 2.87Å; R40-D78 IonicContact CZ-OD2 2.92Å; R40-D78 IonicContact NE-OD1 2.81Å; R40-D78 IonicContact NE-OD2 3.69Å; R40-D78 PolarHBondContact NE-OD2 2.82Å; R40-D78 IonicContact NH2-OD2 2.7Å; R40-D78 PolarHBondContact NH2-OD2 2.96Å
41	M	95.5	Very high	86.9	Confident	23 Å²	23	19.7 Å²	19.7	11%	0.113	10%	0.101	C	C	.	.	H	α-helix	trans	-64.2	-40.8	176.4	-63.5	-45.4	-65.8	0	0	112.2	L37 P38 W39 R44 R45 E77 D78 I263 Y267	L37-M41 HydrophobicContact CD1-CG 3.65Å; L37-M41 HydrophobicContact CD1-SD 3.78Å; L37-M41 HydrophobicContact CG-CG 4.19Å; L37-M41 WeakPolarHBondContact O-CG 3.38Å; L37-M41 PolarHBondContact O-N 3.47Å; P38-M41 PolarHBondContact O-N 3.23Å; W39-M41 VanDerWaalsContact C-N 3.3Å; W39-M41 PolarHBondContact O-N 3.21Å; M41-R44 PolarHBondContact O-N 3.03Å; M41-R45 WeakPolarHBondContact O-CG 3.32Å; M41-R45 PolarHBondContact O-N 2.98Å; M41-R45 VanDerWaalsContact O-N 3.1Å; M41-E77 HydrophobicContact CE-CB 3.9Å; M41-D78 HydrophobicContact SD-CB 3.85Å; M41-I263 HydrophobicContact CB-CD1 4.48Å; M41-I263 HydrophobicContact CB-CG2 3.95Å; M41-Y267 HydrophobicContact CG-CE2 4.5Å
42	L	95.7	Very high	88.6	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.9	-48	173	-177.5	67.7	0	0	0	111.1	P38 W39 R44 R45 H46 P243 E259 Y260 I263	P38-L42 PolarHBondContact O-N 2.76Å; W39-L42 HydrophobicContact CD2-CD2 4.47Å; W39-L42 HydrophobicContact CE3-CD2 4.16Å; W39-L42 HydrophobicContact CH2-CD2 4.28Å; W39-L42 HydrophobicContact CZ3-CD2 4.04Å; W39-L42 WeakPolarHBondContact O-CB 3.48Å; W39-L42 PolarHBondContact O-N 2.72Å; L42-R44 VanDerWaalsContact C-N 3.33Å; L42-R44 PolarHBondContact O-N 3.5Å; L42-R45 WeakPolarHBondContact O-CB 3.46Å; L42-R45 PolarHBondContact O-N 3.44Å; L42-H46 PolarHBondContact O-CD2 3.02Å; L42-H46 PolarHBondContact O-N 2.94Å; L42-P243 HydrophobicContact CD2-CB 3.78Å; L42-P243 HydrophobicContact CD2-CG 3.63Å; L42-P243 HydrophobicContact CG-CB 4.02Å; L42-P243 HydrophobicContact CG-CG 4.22Å; L42-E259 HydrophobicContact CD1-CB 4.13Å; L42-E259 HydrophobicContact CD1-CG 3.69Å; L42-Y260 HydrophobicContact CD2-CD2 4.32Å; L42-I263 HydrophobicContact CB-CD1 3.79Å; L42-I263 HydrophobicContact CD1-CD1 4.01Å
43	C	94	Very high	90.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.4	-40	179.8	-64.8	0	0	0	0	112.3	F32 W39 R40 R45 H46 G47 A48 N239	F32-C43 HydrophobicContact CB-CB 4.17Å; F32-C43 HydrophobicContact CD1-CB 4.12Å; F32-C43 HydrophobicContact CD2-CB 4.48Å; F32-C43 VanDerWaalsContact CD2-SG 3.59Å; F32-C43 HydrophobicContact CG-CB 3.95Å; F32-C43 VanDerWaalsContact CG-SG 3.56Å; W39-C43 PolarHBondContact NE1-SG 2.73Å; W39-C43 PolarHBondContact O-N 3.31Å; W39-C43 PolarHBondContact O-SG 3.32Å; R40-C43 PolarHBondContact O-N 3.41Å; C43-R45 VanDerWaalsContact C-N 3.31Å; C43-R45 PolarHBondContact O-N 3.46Å; C43-H46 CarbonylContact O-C 3.54Å; C43-H46 WeakPolarHBondContact O-CA 3.36Å; C43-H46 PolarHBondContact O-N 3.05Å; C43-G47 PolarHBondContact O-N 3.21Å; C43-A48 HydrophobicContact CB-CB 3.76Å; C43-A48 VanDerWaalsContact O-CB 3.22Å; C43-A48 WeakPolarHBondContact O-CB 3.49Å; C43-A48 PolarHBondContact O-N 3.49Å; C43-N239 PolarHBondContact SG-ND2 3.09Å; C43-N239 VanDerWaalsContact SG-ND2 3.43Å; C43-N239 PolarHBondContact SG-OD1 2.86Å
44	R	91.9	Very high	91.6	Very high	42 Å²	42	19.9 Å²	19.9	16%	0.158	10%	0.104	C	C	.	.	H	α-helix	trans	-62.5	-37.9	176.4	-72.9	178.8	-169.7	-68.7	3.9	112.5	R40 M41 L42 H46 D78 R79 P80	R40-R44 WeakPolarHBondContact O-CG 3.34Å; R40-R44 PolarHBondContact O-N 2.72Å; M41-R44 PolarHBondContact O-N 3.03Å; L42-R44 VanDerWaalsContact C-N 3.33Å; L42-R44 PolarHBondContact O-N 3.5Å; R44-H46 PolarHBondContact O-N 3.16Å; R44-D78 IonicContact CZ-OD1 3.38Å; R44-D78 IonicContact NE-OD1 2.82Å; R44-D78 PolarHBondContact NE-OD1 3.47Å; R44-D78 PolarHBondContact NH2-O 3.32Å; R44-D78 IonicContact NH2-OD1 3.75Å; R44-D78 PolarHBondContact NH2-OD1 2.89Å; R44-R79 VanDerWaalsContact NH1-C 3.26Å; R44-R79 PolarHBondContact NH1-O 2.74Å; R44-R79 VanDerWaalsContact NH1-O 3.15Å; R44-P80 PolarHBondContact NH1-O 2.71Å; R44-P80 PolarHBondContact NH2-O 3.23Å
45	R	93.8	Very high	92.9	Very high	142 Å²	142	20.7 Å²	20.7	54%	0.536	10%	0.104	S	C	.	.	H	α-helix	trans	-63.4	-26.7	173.3	-71.3	179.6	179.4	-177.2	-1	112.4	M41 L42 C43 E259	M41-R45 WeakPolarHBondContact O-CG 3.32Å; M41-R45 PolarHBondContact O-N 2.98Å; M41-R45 VanDerWaalsContact O-N 3.1Å; L42-R45 WeakPolarHBondContact O-CB 3.46Å; L42-R45 PolarHBondContact O-N 3.44Å; C43-R45 VanDerWaalsContact C-N 3.31Å; C43-R45 PolarHBondContact O-N 3.46Å; R45-E259 WeakPolarHBondContact CD-OE1 3.19Å; R45-E259 IonicContact CZ-OE1 3.43Å; R45-E259 IonicContact NE-OE1 3.77Å; R45-E259 IonicContact NH1-OE1 3.98Å; R45-E259 PolarHBondContact NH1-OE1 3.36Å
46	H	93	Very high	93.5	Very high	13 Å²	13	20.6 Å²	20.6	6%	0.06	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	46.3	-176.2	-59.3	-60.4	0	0	0	114.2	L42 C43 R44 A48 P243 Y244 E247 E259	L42-H46 PolarHBondContact O-CD2 3.02Å; L42-H46 PolarHBondContact O-N 2.94Å; C43-H46 CarbonylContact O-C 3.54Å; C43-H46 WeakPolarHBondContact O-CA 3.36Å; C43-H46 PolarHBondContact O-N 3.05Å; R44-H46 PolarHBondContact O-N 3.16Å; H46-A48 PolarHBondContact O-N 3.06Å; H46-P243 WeakPolarHBondContact CB-O 3.24Å; H46-Y244 HydrophobicContact CB-CD2 4.13Å; H46-Y244 HydrophobicContact CB-CG 4.45Å; H46-Y244 AromaticContact CD2-CD2 3.51Å; H46-Y244 AromaticContact CD2-CE2 3.29Å; H46-Y244 WeakPolarHBondContact CD2-CE2 3.39Å; H46-Y244 AromaticContact CE1-CD2 3.96Å; H46-Y244 AromaticContact CE1-CE1 3.76Å; H46-Y244 AromaticContact CE1-CE2 3.44Å; H46-Y244 VanDerWaalsContact CE1-CE2 3.44Å; H46-Y244 WeakPolarHBondContact CE1-CE2 3.08Å; H46-Y244 AromaticContact CE1-CZ 3.32Å; H46-Y244 AromaticContact CG-CD2 3.52Å; H46-Y244 AromaticContact CG-CE2 3.7Å; H46-Y244 AromaticContact ND1-CD2 3.81Å; H46-Y244 AromaticContact ND1-CE2 3.79Å; H46-Y244 AromaticContact ND1-CG 3.99Å; H46-Y244 AromaticContact ND1-CZ 3.9Å; H46-Y244 AromaticContact NE2-CD2 3.8Å; H46-Y244 AromaticContact NE2-CE2 3.12Å; H46-Y244 WeakPolarHBondContact NE2-CE2 3.37Å; H46-Y244 AromaticContact NE2-CZ 3.39Å; H46-E247 VanDerWaalsContact CA-OE1 3.24Å; H46-E247 WeakPolarHBondContact CA-OE1 3.4Å; H46-E247 HydrophobicContact CB-CG 4.39Å; H46-E247 IonicContact CG-OE1 3.13Å; H46-E247 IonicContact ND1-OE1 2.89Å; H46-E247 PolarHBondContact ND1-OE1 2.88Å; H46-E247 IonicContact ND1-OE2 2.92Å; H46-E259 IonicContact CE1-OE2 3.73Å; H46-E259 IonicContact NE2-OE1 2.83Å; H46-E259 IonicContact NE2-OE2 3.33Å; H46-E259 PolarHBondContact NE2-OE2 3.42Å; H46-E259 VanDerWaalsContact NE2-OE2 3.13Å
47	G	88.5	Confident	93.6	Very high	32 Å²	32	21.3 Å²	21.3	33%	0.33	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	7.7	165.5	0	0	0	0	0	116	T30 C43 D49	T30-G47 PolarHBondContact OG1-O 3.46Å; C43-G47 PolarHBondContact O-N 3.21Å; G47-D49 PolarHBondContact O-N 3.23Å
48	A	89.9	Confident	93.8	Very high	6 Å²	6	21.2 Å²	21.2	5%	0.05	11%	0.106	C	C	.	.			trans	-79.1	114.6	171.6	0	0	0	0	0	111.3	F32 C43 H46 F246	F32-A48 HydrophobicContact CB-CB 4.2Å; C43-A48 HydrophobicContact CB-CB 3.76Å; C43-A48 VanDerWaalsContact O-CB 3.22Å; C43-A48 WeakPolarHBondContact O-CB 3.49Å; C43-A48 PolarHBondContact O-N 3.49Å; H46-A48 PolarHBondContact O-N 3.06Å; A48-F246 HydrophobicContact CB-CD2 4.17Å; A48-F246 HydrophobicContact CB-CE2 4.14Å
49	D	89.7	Confident	93.8	Very high	44 Å²	44	24.2 Å²	24.2	24%	0.235	12%	0.122	C	C	.	.	S	Bend	trans	-76.4	-27.9	-178.6	-51.2	-70.3	0	0	0	112.3	T30 G47 P80	T30-D49 PolarHBondContact N-OD2 3.29Å; T30-D49 PolarHBondContact O-N 3.03Å; T30-D49 VanDerWaalsContact O-N 3.11Å; T30-D49 PolarHBondContact OG1-OD2 3.25Å; G47-D49 PolarHBondContact O-N 3.23Å; D49-P80 WeakPolarHBondContact O-CD 3.34Å; D49-P80 VanDerWaalsContact O-CG 3.26Å; D49-P80 WeakPolarHBondContact O-CG 3.21Å
50	L	91.6	Very high	93.9	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	133.7	-176.9	-179.3	67.4	0	0	0	111.3	V19 T30 V31 F32 Y52 P80 I82 F210	V19-L50 HydrophobicContact CG1-CB 4.42Å; V19-L50 HydrophobicContact CG1-CD2 4.37Å; T30-L50 PolarHBondContact O-N 3.44Å; V31-L50 WeakPolarHBondContact CA-O 3.26Å; V31-L50 HydrophobicContact CG1-CB 4.41Å; V31-L50 HydrophobicContact CG1-CD2 4.14Å; V31-L50 HydrophobicContact CG1-CG 4.26Å; V31-L50 HydrophobicContact CG2-CB 4.11Å; V31-L50 HydrophobicContact CG2-CD2 3.88Å; V31-L50 HydrophobicContact CG2-CG 4.44Å; F32-L50 PolarHBondContact N-O 2.84Å; L50-Y52 HydrophobicContact CD2-CE2 4.04Å; L50-Y52 HydrophobicContact CG-CE2 4.35Å; L50-P80 HydrophobicContact CD1-CB 3.85Å; L50-P80 HydrophobicContact CD1-CG 3.79Å; L50-P80 WeakPolarHBondContact CD1-O 3.31Å; L50-I82 HydrophobicContact CD1-CD1 4.07Å; L50-I82 HydrophobicContact CD1-CG1 3.8Å; L50-I82 HydrophobicContact CD2-CD1 3.76Å; L50-I82 HydrophobicContact CD2-CG1 4.35Å; L50-I82 HydrophobicContact CG-CD1 4.31Å; L50-I82 HydrophobicContact CG-CG1 4.36Å; L50-F210 HydrophobicContact CD2-CE2 3.81Å
51	C	92.9	Very high	94.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	146.8	176.6	-67.3	0	0	0	0	111.7	F32 R40 P80 I82	F32-C51 HydrophobicContact CD1-CB 4.43Å; R40-C51 HydrophobicContact CB-CB 4.02Å; R40-C51 HydrophobicContact CG-CB 3.96Å; C51-P80 PolarHBondContact N-O 3.48Å; C51-I82 PolarHBondContact O-N 3.33Å
52	Y	94.4	Very high	94.2	Very high	1 Å²	1	26.5 Å²	26.5	0%	0.004	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	145	172.6	-80.5	-115.7	0	0	0	111.1	V31 F32 S34 R40 L50 I82 Q84 D108 M234	V31-Y52 HydrophobicContact CG1-CD2 3.48Å; V31-Y52 VanDerWaalsContact CG1-CD2 3.48Å; V31-Y52 HydrophobicContact CG1-CE2 3.33Å; F32-Y52 PolarHBondContact O-N 2.92Å; S34-Y52 WeakPolarHBondContact CA-O 3.37Å; S34-Y52 PolarHBondContact N-O 3.04Å; R40-Y52 WeakPolarHBondContact CD-O 3.5Å; L50-Y52 HydrophobicContact CD2-CE2 4.04Å; L50-Y52 HydrophobicContact CG-CE2 4.35Å; Y52-I82 CarbonylContact C-O 3.48Å; Y52-I82 WeakPolarHBondContact CA-O 3.4Å; Y52-I82 HydrophobicContact CD1-CB 3.96Å; Y52-I82 HydrophobicContact CD1-CG2 3.9Å; Y52-I82 HydrophobicContact CD2-CB 4.22Å; Y52-I82 HydrophobicContact CE1-CB 3.89Å; Y52-I82 HydrophobicContact CE1-CD1 4.36Å; Y52-I82 HydrophobicContact CE1-CG2 3.55Å; Y52-I82 HydrophobicContact CE2-CB 4.11Å; Y52-I82 HydrophobicContact CE2-CD1 3.85Å; Y52-I82 HydrophobicContact CE2-CG1 4.22Å; Y52-I82 HydrophobicContact CG-CB 4.14Å; Y52-Q84 HydrophobicContact CD1-CB 4.42Å; Y52-D108 HydrophobicContact CD1-CB 4.33Å; Y52-D108 HydrophobicContact CE1-CB 3.79Å; Y52-M234 HydrophobicContact CD1-CE 4.26Å; Y52-M234 HydrophobicContact CD2-CE 3.69Å; Y52-M234 HydrophobicContact CE1-CE 3.99Å; Y52-M234 HydrophobicContact CE2-CE 3.41Å; Y52-M234 VanDerWaalsContact CE2-CE 3.41Å; Y52-M234 HydrophobicContact CG-CE 4.12Å
53	S	94.9	Very high	94.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	164.2	166.8	78.5	0	0	0	0	111.5	S34 F56 I82 V83 Q84	S34-S53 WeakPolarHBondContact CA-O 3.33Å; S34-S53 WeakPolarHBondContact CB-O 3.35Å; S34-S53 PolarHBondContact OG-O 3.26Å; S53-F56 WeakPolarHBondContact OG-CE2 3.31Å; S53-I82 PolarHBondContact N-O 3.43Å; S53-V83 WeakPolarHBondContact OG-CA 3.24Å; S53-Q84 PolarHBondContact OG-N 2.98Å
54	P	92.6	Very high	94.5	Very high	35 Å²	35	37 Å²	37	23%	0.227	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51	155.3	160.1	-22.8	35.8	0	0	0	111.3	S35 F56	S35-P54 WeakPolarHBondContact O-CD 3.21Å; P54-F56 HydrophobicContact CB-CE1 3.95Å; P54-F56 HydrophobicContact CB-CZ 4.33Å; P54-F56 HydrophobicContact CG-CE1 4.26Å; P54-F56 HydrophobicContact CG-CZ 4.33Å; P54-F56 PolarHBondContact O-N 3.15Å
55	M	93.3	Very high	94.7	Very high	52 Å²	52	38.8 Å²	38.8	26%	0.256	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	111.2	171.9	-178.1	-169.3	74.2	0	0	109.5	C86 N110 C113 Y123	M55-C86 HydrophobicContact CE-CB 4.37Å; M55-C86 HydrophobicContact CG-CB 3.91Å; M55-C86 HydrophobicContact SD-CB 3.75Å; M55-N110 HydrophobicContact CG-CB 4.05Å; M55-N110 HydrophobicContact SD-CB 4.09Å; M55-C113 HydrophobicContact CE-CB 4.46Å; M55-C113 HydrophobicContact SD-CB 3.7Å; M55-Y123 HydrophobicContact CE-CE2 4.37Å
56	F	95.8	Very high	94.9	Very high	3 Å²	3	35.3 Å²	35.3	1%	0.013	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	141.9	177.3	-58.4	-51.1	0	0	0	111.8	S53 P54 A58 F61 Y67 N71 F72 V83 Q84 F85 C86	S53-F56 WeakPolarHBondContact OG-CE2 3.31Å; P54-F56 HydrophobicContact CB-CE1 3.95Å; P54-F56 HydrophobicContact CB-CZ 4.33Å; P54-F56 HydrophobicContact CG-CE1 4.26Å; P54-F56 HydrophobicContact CG-CZ 4.33Å; P54-F56 PolarHBondContact O-N 3.15Å; F56-A58 PolarHBondContact O-N 2.96Å; F56-F61 HydrophobicContact CB-CD2 3.98Å; F56-F61 HydrophobicContact CD2-CD2 4.24Å; F56-F61 HydrophobicContact CD2-CE2 4.07Å; F56-F61 HydrophobicContact CE2-CE2 4.43Å; F56-F61 HydrophobicContact CG-CD2 4.04Å; F56-F61 HydrophobicContact CG-CE2 4.26Å; F56-Y67 HydrophobicContact CB-CE1 4.47Å; F56-N71 HydrophobicContact CD1-CB 4.14Å; F56-N71 HydrophobicContact CE1-CB 3.82Å; F56-N71 VanDerWaalsContact CE1-O 3.24Å; F56-N71 WeakPolarHBondContact CE1-O 3.3Å; F56-N71 WeakPolarHBondContact CZ-O 3.27Å; F56-F72 HydrophobicContact CE1-CB 4.41Å; F56-F72 HydrophobicContact CE2-CB 4.04Å; F56-F72 AromaticContact CE2-CD2 3.6Å; F56-F72 HydrophobicContact CE2-CD2 3.6Å; F56-F72 HydrophobicContact CE2-CE2 4.43Å; F56-F72 HydrophobicContact CE2-CG 4.11Å; F56-F72 HydrophobicContact CZ-CB 3.79Å; F56-F72 AromaticContact CZ-CD2 3.8Å; F56-F72 HydrophobicContact CZ-CD2 3.8Å; F56-F72 HydrophobicContact CZ-CG 4.23Å; F56-V83 HydrophobicContact CD2-CG1 3.82Å; F56-V83 HydrophobicContact CE2-CG1 3.95Å; F56-Q84 PolarHBondContact N-O 2.79Å; F56-F85 HydrophobicContact CB-CD1 3.7Å; F56-F85 HydrophobicContact CB-CE1 3.74Å; F56-F85 HydrophobicContact CD2-CE1 4.23Å; F56-F85 HydrophobicContact CG-CE1 4.46Å; F56-F85 CarbonylContact O-C 3.2Å; F56-F85 VanDerWaalsContact O-CA 3.31Å; F56-F85 WeakPolarHBondContact O-CA 3.44Å; F56-C86 PolarHBondContact O-N 3.05Å
57	H	96.2	Very high	95	Very high	45 Å²	45	36.6 Å²	36.6	21%	0.208	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	111.8	172.3	-170	-53.6	0	0	0	109.5	L59 L60 F61 Y67 Y123	H57-L59 PolarHBondContact ND1-N 3.15Å; H57-L59 PolarHBondContact O-N 2.87Å; H57-L60 HydrophobicContact CB-CB 4.29Å; H57-L60 HydrophobicContact CB-CD1 4.06Å; H57-L60 HydrophobicContact CB-CG 4.14Å; H57-L60 PolarHBondContact O-N 2.73Å; H57-L60 VanDerWaalsContact O-N 3.14Å; H57-F61 WeakPolarHBondContact O-CB 3.13Å; H57-F61 PolarHBondContact O-N 2.92Å; H57-Y67 PolarHBondContact N-OH 3.16Å; H57-Y67 VanDerWaalsContact N-OH 3.13Å; H57-Y123 AromaticContact CD2-CE1 3.8Å; H57-Y123 AromaticContact NE2-CE1 3.63Å
58	A	98.3	Very high	95.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-52.8	-49	-173.9	0	0	0	0	0	112.4	F56 L60 F61 A62 F85 C86 A87 V92 L93 S96	F56-A58 PolarHBondContact O-N 2.96Å; A58-L60 PolarHBondContact O-N 3.02Å; A58-F61 CarbonylContact O-C 3.52Å; A58-F61 WeakPolarHBondContact O-CA 3.41Å; A58-F61 WeakPolarHBondContact O-CB 3.4Å; A58-F61 PolarHBondContact O-N 2.88Å; A58-A62 PolarHBondContact O-N 3.31Å; A58-F85 HydrophobicContact CB-CB 4.43Å; A58-F85 HydrophobicContact CB-CD1 4.28Å; A58-C86 WeakPolarHBondContact CB-O 3.31Å; A58-C86 PolarHBondContact N-O 3.09Å; A58-A87 HydrophobicContact CB-CB 3.71Å; A58-V92 HydrophobicContact CB-CG1 4.07Å; A58-L93 HydrophobicContact CB-CD1 4.34Å; A58-S96 VanDerWaalsContact C-OG 3.26Å; A58-S96 WeakPolarHBondContact CA-OG 3.37Å; A58-S96 WeakPolarHBondContact CB-OG 3.46Å; A58-S96 PolarHBondContact O-OG 2.62Å
59	L	98	Very high	95.6	Very high	66 Å²	66	41.3 Å²	41.3	35%	0.346	23%	0.234	S	C	.	.	H	α-helix	trans	-55	-48.7	178.6	-171.3	66	0	0	0	114.2	H57 F61 A62 Q63 V92	H57-L59 PolarHBondContact ND1-N 3.15Å; H57-L59 PolarHBondContact O-N 2.87Å; L59-F61 VanDerWaalsContact C-N 3.3Å; L59-F61 PolarHBondContact O-N 3.17Å; L59-A62 PolarHBondContact O-N 3.28Å; L59-Q63 HydrophobicContact CD1-CG 4.27Å; L59-Q63 VanDerWaalsContact CD1-NE2 3.33Å; L59-Q63 WeakPolarHBondContact O-CB 3.32Å; L59-Q63 WeakPolarHBondContact O-CG 3.46Å; L59-Q63 PolarHBondContact O-N 3.14Å; L59-V92 HydrophobicContact CB-CG1 3.93Å; L59-V92 HydrophobicContact CD1-CG1 3.88Å; L59-V92 HydrophobicContact CD1-CG2 3.89Å
60	L	97.7	Very high	95.7	Very high	54 Å²	54	46.7 Å²	46.7	28%	0.283	26%	0.258	S	S	.	.	H	α-helix	trans	-65.7	-39.3	177.5	-58.7	-178.5	0	0	0	110.5	H57 A58 Q64 Y67	H57-L60 HydrophobicContact CB-CB 4.29Å; H57-L60 HydrophobicContact CB-CD1 4.06Å; H57-L60 HydrophobicContact CB-CG 4.14Å; H57-L60 PolarHBondContact O-N 2.73Å; H57-L60 VanDerWaalsContact O-N 3.14Å; A58-L60 PolarHBondContact O-N 3.02Å; L60-Q64 VanDerWaalsContact CD2-NE2 3.35Å; L60-Q64 WeakPolarHBondContact O-CA 3.36Å; L60-Q64 VanDerWaalsContact O-CB 3.3Å; L60-Q64 WeakPolarHBondContact O-CB 3.48Å; L60-Q64 PolarHBondContact O-N 2.63Å; L60-Y67 HydrophobicContact CB-CD1 3.79Å; L60-Y67 HydrophobicContact CB-CD2 4.04Å; L60-Y67 HydrophobicContact CB-CE1 3.95Å; L60-Y67 HydrophobicContact CB-CE2 4.22Å; L60-Y67 HydrophobicContact CB-CG 3.83Å; L60-Y67 HydrophobicContact CD1-CD2 4.11Å; L60-Y67 HydrophobicContact CD1-CE2 3.93Å
61	F	98.4	Very high	95.8	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.009	27%	0.274	C	S	.	.	H	α-helix	trans	-63.6	-43.6	177.7	-159.4	-83.6	0	0	0	112.4	F56 H57 A58 L59 Y67 R68 F72 F85 L99 V100	F56-F61 HydrophobicContact CB-CD2 3.98Å; F56-F61 HydrophobicContact CD2-CD2 4.24Å; F56-F61 HydrophobicContact CD2-CE2 4.07Å; F56-F61 HydrophobicContact CE2-CE2 4.43Å; F56-F61 HydrophobicContact CG-CD2 4.04Å; F56-F61 HydrophobicContact CG-CE2 4.26Å; H57-F61 WeakPolarHBondContact O-CB 3.13Å; H57-F61 PolarHBondContact O-N 2.92Å; A58-F61 CarbonylContact O-C 3.52Å; A58-F61 WeakPolarHBondContact O-CA 3.41Å; A58-F61 WeakPolarHBondContact O-CB 3.4Å; A58-F61 PolarHBondContact O-N 2.88Å; L59-F61 VanDerWaalsContact C-N 3.3Å; L59-F61 PolarHBondContact O-N 3.17Å; F61-Y67 HydrophobicContact CB-CD1 4.29Å; F61-Y67 HydrophobicContact CB-CE1 4.16Å; F61-Y67 HydrophobicContact CD2-CD1 4.28Å; F61-Y67 HydrophobicContact CD2-CE1 4.11Å; F61-R68 HydrophobicContact CD1-CG 3.86Å; F61-R68 HydrophobicContact CD2-CG 3.85Å; F61-R68 VanDerWaalsContact CE1-CD 3.49Å; F61-R68 HydrophobicContact CE1-CG 3.84Å; F61-R68 HydrophobicContact CE2-CB 4.29Å; F61-R68 HydrophobicContact CE2-CG 3.85Å; F61-R68 HydrophobicContact CG-CG 3.85Å; F61-R68 HydrophobicContact CZ-CB 4.36Å; F61-R68 HydrophobicContact CZ-CG 3.84Å; F61-R68 WeakPolarHBondContact O-CD 3.43Å; F61-R68 WeakPolarHBondContact O-CG 3.2Å; F61-R68 PolarHBondContact O-NH1 2.73Å; F61-F72 HydrophobicContact CE2-CB 3.71Å; F61-F72 HydrophobicContact CE2-CD1 4.36Å; F61-F72 HydrophobicContact CE2-CG 4.15Å; F61-F72 HydrophobicContact CZ-CB 4.16Å; F61-F72 AromaticContact CZ-CD1 3.94Å; F61-F72 HydrophobicContact CZ-CD1 3.94Å; F61-F72 HydrophobicContact CZ-CG 4.19Å; F61-F85 HydrophobicContact CB-CE1 3.83Å; F61-F85 AromaticContact CD1-CE1 3.79Å; F61-F85 HydrophobicContact CD1-CE1 3.79Å; F61-F85 AromaticContact CD1-CZ 3.91Å; F61-F85 HydrophobicContact CD1-CZ 3.91Å; F61-F85 AromaticContact CD2-CE1 3.87Å; F61-F85 HydrophobicContact CD2-CE1 3.87Å; F61-F85 HydrophobicContact CD2-CZ 4.47Å; F61-F85 HydrophobicContact CE1-CE1 4.32Å; F61-F85 HydrophobicContact CE1-CZ 4.08Å; F61-F85 HydrophobicContact CE2-CE1 4.38Å; F61-F85 AromaticContact CG-CE1 3.54Å; F61-F85 HydrophobicContact CG-CE1 3.54Å; F61-F85 HydrophobicContact CG-CZ 4.13Å; F61-F85 HydrophobicContact CZ-CZ 4.43Å; F61-L99 HydrophobicContact CD1-CD1 4.32Å; F61-L99 HydrophobicContact CE1-CB 3.99Å; F61-L99 HydrophobicContact CE1-CD1 4.42Å; F61-V100 HydrophobicContact CE1-CG1 3.44Å; F61-V100 VanDerWaalsContact CE1-CG1 3.44Å; F61-V100 HydrophobicContact CE2-CG1 4.43Å; F61-V100 HydrophobicContact CZ-CG1 3.37Å
62	A	98.1	Very high	95.9	Very high	19 Å²	19	51.1 Å²	51.1	16%	0.157	28%	0.28	C	S	.	.	H	α-helix	trans	-66	-47.9	176.5	0	0	0	0	0	111.6	A58 L59 R68 Q95	A58-A62 PolarHBondContact O-N 3.31Å; L59-A62 PolarHBondContact O-N 3.28Å; A62-R68 PolarHBondContact O-NH1 3.44Å; A62-Q95 HydrophobicContact CB-CB 4.15Å
63	Q	97.5	Very high	95.9	Very high	131 Å²	131	54.4 Å²	54.4	61%	0.612	30%	0.3	S	S	*	.	H	α-helix	trans	-87.7	-27.4	-167.4	-64.8	-178.2	-15.4	0	0	114.5	L59	L59-Q63 HydrophobicContact CD1-CG 4.27Å; L59-Q63 VanDerWaalsContact CD1-NE2 3.33Å; L59-Q63 WeakPolarHBondContact O-CB 3.32Å; L59-Q63 WeakPolarHBondContact O-CG 3.46Å; L59-Q63 PolarHBondContact O-N 3.14Å
64	Q	97.6	Very high	95.9	Very high	88 Å²	88	56.2 Å²	56.2	41%	0.411	31%	0.311	S	S	.	.			trans	-118.5	104.1	-168.3	-56.1	-178.5	16.2	0	0	111.5	L60 A66 Y67 R68	L60-Q64 VanDerWaalsContact CD2-NE2 3.35Å; L60-Q64 WeakPolarHBondContact O-CA 3.36Å; L60-Q64 VanDerWaalsContact O-CB 3.3Å; L60-Q64 WeakPolarHBondContact O-CB 3.48Å; L60-Q64 PolarHBondContact O-N 2.63Å; Q64-A66 VanDerWaalsContact C-N 3.26Å; Q64-A66 PolarHBondContact O-N 2.79Å; Q64-Y67 WeakPolarHBondContact O-CB 3.35Å; Q64-Y67 PolarHBondContact O-N 3.09Å; Q64-R68 PolarHBondContact O-N 2.89Å; Q64-R68 VanDerWaalsContact O-N 3.15Å
65	S	96.8	Very high	96.1	Very high	80 Å²	80	55.3 Å²	55.3	56%	0.559	31%	0.305	S	S	*	.	H	α-helix	trans	-59.9	-35.6	175	55.9	0	0	0	0	113	R68 A69	S65-R68 PolarHBondContact O-N 3.01Å; S65-A69 WeakPolarHBondContact O-CB 3.23Å; S65-A69 PolarHBondContact O-N 3.06Å
66	A	96.8	Very high	96.1	Very high	70 Å²	70	57.6 Å²	57.6	58%	0.579	32%	0.324	S	S	*	.	H	α-helix	trans	-62.6	-43.9	175.2	0	0	0	0	0	112	Q64 R68 A69 E70	Q64-A66 VanDerWaalsContact C-N 3.26Å; Q64-A66 PolarHBondContact O-N 2.79Å; A66-R68 VanDerWaalsContact C-N 3.33Å; A66-R68 PolarHBondContact O-N 3.39Å; A66-A69 PolarHBondContact O-N 3.01Å; A66-E70 WeakPolarHBondContact O-CB 3.47Å; A66-E70 PolarHBondContact O-N 2.73Å
67	Y	96.3	Very high	96	Very high	40 Å²	40	62.9 Å²	62.9	16%	0.157	35%	0.349	C	S	.	.	H	α-helix	trans	-59.9	-44.1	175.1	177.9	-95.3	0	0	0	111.1	F56 H57 L60 F61 Q64 E70 N71	F56-Y67 HydrophobicContact CB-CE1 4.47Å; H57-Y67 PolarHBondContact N-OH 3.16Å; H57-Y67 VanDerWaalsContact N-OH 3.13Å; L60-Y67 HydrophobicContact CB-CD1 3.79Å; L60-Y67 HydrophobicContact CB-CD2 4.04Å; L60-Y67 HydrophobicContact CB-CE1 3.95Å; L60-Y67 HydrophobicContact CB-CE2 4.22Å; L60-Y67 HydrophobicContact CB-CG 3.83Å; L60-Y67 HydrophobicContact CD1-CD2 4.11Å; L60-Y67 HydrophobicContact CD1-CE2 3.93Å; F61-Y67 HydrophobicContact CB-CD1 4.29Å; F61-Y67 HydrophobicContact CB-CE1 4.16Å; F61-Y67 HydrophobicContact CD2-CD1 4.28Å; F61-Y67 HydrophobicContact CD2-CE1 4.11Å; Q64-Y67 WeakPolarHBondContact O-CB 3.35Å; Q64-Y67 PolarHBondContact O-N 3.09Å; Y67-E70 PolarHBondContact O-N 3.18Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.5Å; Y67-N71 VanDerWaalsContact O-CB 3.32Å; Y67-N71 WeakPolarHBondContact O-CB 3.34Å; Y67-N71 PolarHBondContact O-N 3.22Å; Y67-N71 PolarHBondContact O-ND2 3.42Å
68	R	96.5	Very high	95.9	Very high	63 Å²	63	60.8 Å²	60.8	24%	0.238	34%	0.339	C	S	.	.	H	α-helix	trans	-60.3	-51.5	175.9	-64.8	-168.6	-68.8	-87.5	10	112	F61 A62 Q64 S65 A66 E70 N71 F72	F61-R68 HydrophobicContact CD1-CG 3.86Å; F61-R68 HydrophobicContact CD2-CG 3.85Å; F61-R68 VanDerWaalsContact CE1-CD 3.49Å; F61-R68 HydrophobicContact CE1-CG 3.84Å; F61-R68 HydrophobicContact CE2-CB 4.29Å; F61-R68 HydrophobicContact CE2-CG 3.85Å; F61-R68 HydrophobicContact CG-CG 3.85Å; F61-R68 HydrophobicContact CZ-CB 4.36Å; F61-R68 HydrophobicContact CZ-CG 3.84Å; F61-R68 WeakPolarHBondContact O-CD 3.43Å; F61-R68 WeakPolarHBondContact O-CG 3.2Å; F61-R68 PolarHBondContact O-NH1 2.73Å; A62-R68 PolarHBondContact O-NH1 3.44Å; Q64-R68 PolarHBondContact O-N 2.89Å; Q64-R68 VanDerWaalsContact O-N 3.15Å; S65-R68 PolarHBondContact O-N 3.01Å; A66-R68 VanDerWaalsContact C-N 3.33Å; A66-R68 PolarHBondContact O-N 3.39Å; R68-E70 VanDerWaalsContact C-N 3.28Å; R68-E70 PolarHBondContact O-N 3.4Å; R68-N71 PolarHBondContact O-N 3.29Å; R68-F72 PolarHBondContact O-N 3Å
69	A	94.2	Very high	95.6	Very high	74 Å²	74	65.4 Å²	65.4	61%	0.612	36%	0.357	S	S	*	.	H	α-helix	trans	-62.3	-34.5	-177.2	0	0	0	0	0	112.8	S65 A66	S65-A69 WeakPolarHBondContact O-CB 3.23Å; S65-A69 PolarHBondContact O-N 3.06Å; A66-A69 PolarHBondContact O-N 3.01Å
70	E	92.3	Very high	95.4	Very high	157 Å²	157	63.5 Å²	63.5	73%	0.734	35%	0.348	S	S	*	.	H	α-helix	trans	-77.5	-36.5	178.5	-176.7	178.2	-167.8	0	0	112.9	A66 Y67 R68	A66-E70 WeakPolarHBondContact O-CB 3.47Å; A66-E70 PolarHBondContact O-N 2.73Å; Y67-E70 PolarHBondContact O-N 3.18Å; R68-E70 VanDerWaalsContact C-N 3.28Å; R68-E70 PolarHBondContact O-N 3.4Å
71	N	92.4	Very high	95.2	Very high	65 Å²	65	61 Å²	61	35%	0.348	34%	0.335	S	S	.	.	H	α-helix	trans	-105.3	-26	-167.3	-66.5	-90.7	0	0	0	114	F56 Y67 R68	F56-N71 HydrophobicContact CD1-CB 4.14Å; F56-N71 HydrophobicContact CE1-CB 3.82Å; F56-N71 VanDerWaalsContact CE1-O 3.24Å; F56-N71 WeakPolarHBondContact CE1-O 3.3Å; F56-N71 WeakPolarHBondContact CZ-O 3.27Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.5Å; Y67-N71 VanDerWaalsContact O-CB 3.32Å; Y67-N71 WeakPolarHBondContact O-CB 3.34Å; Y67-N71 PolarHBondContact O-N 3.22Å; Y67-N71 PolarHBondContact O-ND2 3.42Å; R68-N71 PolarHBondContact O-N 3.29Å
72	F	95.5	Very high	95.1	Very high	28 Å²	28	60.9 Å²	60.9	12%	0.123	33%	0.334	C	S	.	.			trans	-116.2	98	-177.9	-179	-119.4	0	0	0	111.5	F56 F61 R68 T74 L81 V83 V100 Y103	F56-F72 HydrophobicContact CE1-CB 4.41Å; F56-F72 HydrophobicContact CE2-CB 4.04Å; F56-F72 AromaticContact CE2-CD2 3.6Å; F56-F72 HydrophobicContact CE2-CD2 3.6Å; F56-F72 HydrophobicContact CE2-CE2 4.43Å; F56-F72 HydrophobicContact CE2-CG 4.11Å; F56-F72 HydrophobicContact CZ-CB 3.79Å; F56-F72 AromaticContact CZ-CD2 3.8Å; F56-F72 HydrophobicContact CZ-CD2 3.8Å; F56-F72 HydrophobicContact CZ-CG 4.23Å; F61-F72 HydrophobicContact CE2-CB 3.71Å; F61-F72 HydrophobicContact CE2-CD1 4.36Å; F61-F72 HydrophobicContact CE2-CG 4.15Å; F61-F72 HydrophobicContact CZ-CB 4.16Å; F61-F72 AromaticContact CZ-CD1 3.94Å; F61-F72 HydrophobicContact CZ-CD1 3.94Å; F61-F72 HydrophobicContact CZ-CG 4.19Å; R68-F72 PolarHBondContact O-N 3Å; F72-T74 HydrophobicContact CZ-CG2 4.29Å; F72-L81 HydrophobicContact CE2-CD2 4.26Å; F72-V83 HydrophobicContact CE2-CG2 3.64Å; F72-V83 HydrophobicContact CZ-CG2 3.92Å; F72-V100 HydrophobicContact CD1-CG1 4.34Å; F72-V100 HydrophobicContact CE1-CB 4.49Å; F72-V100 HydrophobicContact CE1-CG1 3.98Å; F72-V100 HydrophobicContact CZ-CG1 4.33Å; F72-Y103 HydrophobicContact CE1-CD2 4.16Å; F72-Y103 HydrophobicContact CE1-CG 4.19Å
73	V	94.5	Very high	95	Very high	70 Å²	70	60 Å²	60	42%	0.424	33%	0.327	S	S	.	.			trans	-119.4	138	172.8	-174.4	0	0	0	0	108.1	L37 R40	L37-V73 HydrophobicContact CD2-CG1 3.93Å; R40-V73 PolarHBondContact NH2-O 2.87Å
74	T	95.5	Very high	95	Very high	39 Å²	39	53.9 Å²	53.9	24%	0.239	30%	0.299	C	S	.	.			trans	-146.5	170.9	177.2	-167.9	0	0	0	0	110.5	F72 D78 Y103	F72-T74 HydrophobicContact CZ-CG2 4.29Å; T74-D78 WeakPolarHBondContact OG1-CB 3.17Å; T74-D78 PolarHBondContact OG1-OD2 3.39Å; T74-Y103 HydrophobicContact CG2-CD1 4.4Å
75	C	95.4	Very high	95	Very high	16 Å²	16	49.7 Å²	49.7	11%	0.108	28%	0.279	C	S	.	.			trans	-137.4	166.3	172.1	70.6	0	0	0	0	110.4	L37 E77 D78 Y267	L37-C75 HydrophobicContact CD2-CB 4.33Å; C75-E77 PolarHBondContact O-N 2.95Å; C75-E77 VanDerWaalsContact O-N 3.16Å; C75-E77 PolarHBondContact SG-OE2 3.08Å; C75-D78 PolarHBondContact O-N 3.39Å; C75-Y267 HydrophobicContact CB-CE1 3.9Å
76	P	94.9	Very high	95	Very high	100 Å²	100	46 Å²	46	65%	0.649	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-32.4	-179.4	-27.6	36.8	0	0	0	114.3	D78	P76-D78 VanDerWaalsContact C-N 3.34Å
77	E	93.6	Very high	95	Very high	114 Å²	114	42.9 Å²	42.9	53%	0.533	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-12	-180	-54.7	74.6	-161.1	0	0	113.4	M41 C75 R79	M41-E77 HydrophobicContact CE-CB 3.9Å; C75-E77 PolarHBondContact O-N 2.95Å; C75-E77 VanDerWaalsContact O-N 3.16Å; C75-E77 PolarHBondContact SG-OE2 3.08Å; E77-R79 PolarHBondContact O-N 3.26Å
78	D	93.2	Very high	95	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-82.1	59.8	178.5	-173.9	21.7	0	0	0	110.8	L37 R40 M41 R44 T74 C75 P76 L81	L37-D78 HydrophobicContact CD1-CB 3.68Å; L37-D78 WeakPolarHBondContact CD1-OD2 3.34Å; R40-D78 IonicContact CZ-OD2 2.92Å; R40-D78 IonicContact NE-OD1 2.81Å; R40-D78 IonicContact NE-OD2 3.69Å; R40-D78 PolarHBondContact NE-OD2 2.82Å; R40-D78 IonicContact NH2-OD2 2.7Å; R40-D78 PolarHBondContact NH2-OD2 2.96Å; M41-D78 HydrophobicContact SD-CB 3.85Å; R44-D78 IonicContact CZ-OD1 3.38Å; R44-D78 IonicContact NE-OD1 2.82Å; R44-D78 PolarHBondContact NE-OD1 3.47Å; R44-D78 PolarHBondContact NH2-O 3.32Å; R44-D78 IonicContact NH2-OD1 3.75Å; R44-D78 PolarHBondContact NH2-OD1 2.89Å; T74-D78 WeakPolarHBondContact OG1-CB 3.17Å; T74-D78 PolarHBondContact OG1-OD2 3.39Å; C75-D78 PolarHBondContact O-N 3.39Å; P76-D78 VanDerWaalsContact C-N 3.34Å; D78-L81 VanDerWaalsContact O-CB 3.25Å; D78-L81 WeakPolarHBondContact O-CB 3.38Å
79	R	92.9	Very high	95.1	Very high	98 Å²	98	44.9 Å²	44.9	37%	0.37	25%	0.245	S	C	.	.			trans	-140.3	148	177.6	-67.8	-167.8	-178	-117.4	2	111.8	R44 E77 P102 C104 D105	R44-R79 VanDerWaalsContact NH1-C 3.26Å; R44-R79 PolarHBondContact NH1-O 2.74Å; R44-R79 VanDerWaalsContact NH1-O 3.15Å; E77-R79 PolarHBondContact O-N 3.26Å; R79-P102 PolarHBondContact NH2-O 2.92Å; R79-C104 PolarHBondContact NH1-O 3.09Å; R79-C104 VanDerWaalsContact NH1-O 3.12Å; R79-D105 IonicContact CZ-OD1 3.85Å; R79-D105 IonicContact NH1-OD1 3.36Å; R79-D105 PolarHBondContact NH1-OD1 3.26Å; R79-D105 IonicContact NH1-OD2 2.83Å
80	P	93.4	Very high	95.3	Very high	26 Å²	26	42.5 Å²	42.5	17%	0.169	22%	0.223	C	C	.	.	S	Bend	cis	-73.4	137.5	-0.5	30.1	-35.5	0	0	0	112.8	W14 V19 R44 D49 L50 C51 D105	W14-P80 HydrophobicContact CZ2-CB 4.34Å; W14-P80 VanDerWaalsContact NE1-CB 3.26Å; V19-P80 HydrophobicContact CG2-CG 4.1Å; R44-P80 PolarHBondContact NH1-O 2.71Å; R44-P80 PolarHBondContact NH2-O 3.23Å; D49-P80 WeakPolarHBondContact O-CD 3.34Å; D49-P80 VanDerWaalsContact O-CG 3.26Å; D49-P80 WeakPolarHBondContact O-CG 3.21Å; L50-P80 HydrophobicContact CD1-CB 3.85Å; L50-P80 HydrophobicContact CD1-CG 3.79Å; L50-P80 WeakPolarHBondContact CD1-O 3.31Å; C51-P80 PolarHBondContact N-O 3.48Å; P80-D105 WeakPolarHBondContact CA-OD2 3.3Å; P80-D105 HydrophobicContact CB-CB 4.37Å
81	L	93.4	Very high	95.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131.5	-177.5	173.8	65.7	0	0	0	111.1	F72 D78 V83 C104 D105 A106	F72-L81 HydrophobicContact CE2-CD2 4.26Å; D78-L81 VanDerWaalsContact O-CB 3.25Å; D78-L81 WeakPolarHBondContact O-CB 3.38Å; L81-V83 HydrophobicContact CD2-CG2 4.35Å; L81-V83 HydrophobicContact CG-CG2 4.37Å; L81-C104 HydrophobicContact CB-CB 4.5Å; L81-C104 HydrophobicContact CD2-CB 4.45Å; L81-C104 HydrophobicContact CG-CB 4.31Å; L81-C104 WeakPolarHBondContact O-CB 3.37Å; L81-D105 PolarHBondContact N-OD2 3.3Å; L81-D105 PolarHBondContact O-N 3.06Å; L81-A106 PolarHBondContact O-N 3.46Å
82	I	95.4	Very high	95.8	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.6	171.3	-54.6	-164.9	0	0	0	109.6	L50 C51 Y52 S53 A106 D108 T149	L50-I82 HydrophobicContact CD1-CD1 4.07Å; L50-I82 HydrophobicContact CD1-CG1 3.8Å; L50-I82 HydrophobicContact CD2-CD1 3.76Å; L50-I82 HydrophobicContact CD2-CG1 4.35Å; L50-I82 HydrophobicContact CG-CD1 4.31Å; L50-I82 HydrophobicContact CG-CG1 4.36Å; C51-I82 PolarHBondContact O-N 3.33Å; Y52-I82 CarbonylContact C-O 3.48Å; Y52-I82 WeakPolarHBondContact CA-O 3.4Å; Y52-I82 HydrophobicContact CD1-CB 3.96Å; Y52-I82 HydrophobicContact CD1-CG2 3.9Å; Y52-I82 HydrophobicContact CD2-CB 4.22Å; Y52-I82 HydrophobicContact CE1-CB 3.89Å; Y52-I82 HydrophobicContact CE1-CD1 4.36Å; Y52-I82 HydrophobicContact CE1-CG2 3.55Å; Y52-I82 HydrophobicContact CE2-CB 4.11Å; Y52-I82 HydrophobicContact CE2-CD1 3.85Å; Y52-I82 HydrophobicContact CE2-CG1 4.22Å; Y52-I82 HydrophobicContact CG-CB 4.14Å; S53-I82 PolarHBondContact N-O 3.43Å; I82-A106 WeakPolarHBondContact CA-O 3.49Å; I82-A106 HydrophobicContact CD1-CB 4.09Å; I82-A106 HydrophobicContact CG1-CB 4.01Å; I82-A106 HydrophobicContact CG2-CB 4.24Å; I82-D108 HydrophobicContact CG2-CB 3.58Å; I82-T149 HydrophobicContact CD1-CG2 4.38Å
83	V	96.7	Very high	96	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	121.9	177.1	174.6	0	0	0	0	110.2	S53 F56 F72 L81 F85 V100 C104 A106 V107 D108	S53-V83 WeakPolarHBondContact OG-CA 3.24Å; F56-V83 HydrophobicContact CD2-CG1 3.82Å; F56-V83 HydrophobicContact CE2-CG1 3.95Å; F72-V83 HydrophobicContact CE2-CG2 3.64Å; F72-V83 HydrophobicContact CZ-CG2 3.92Å; L81-V83 HydrophobicContact CD2-CG2 4.35Å; L81-V83 HydrophobicContact CG-CG2 4.37Å; V83-F85 HydrophobicContact CG1-CD2 4.35Å; V83-F85 HydrophobicContact CG1-CE1 4.48Å; V83-F85 HydrophobicContact CG1-CE2 3.7Å; V83-F85 HydrophobicContact CG1-CZ 3.77Å; V83-V100 HydrophobicContact CB-CB 4.42Å; V83-V100 HydrophobicContact CB-CG2 4.07Å; V83-V100 HydrophobicContact CG1-CB 4.32Å; V83-V100 HydrophobicContact CG1-CG1 4.14Å; V83-V100 HydrophobicContact CG1-CG2 4.03Å; V83-V100 HydrophobicContact CG2-CB 4.3Å; V83-V100 HydrophobicContact CG2-CG2 4.46Å; V83-C104 HydrophobicContact CB-CB 4.33Å; V83-C104 HydrophobicContact CG2-CB 3.55Å; V83-A106 PolarHBondContact N-O 3.09Å; V83-V107 CarbonylContact O-C 3.55Å; V83-V107 WeakPolarHBondContact O-CA 3.38Å; V83-D108 PolarHBondContact O-N 3.12Å
84	Q	96.9	Very high	96.2	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.019	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127.6	-174	-177.6	173.6	94.9	0	0	112.2	Y52 S53 F56 D108 N110	Y52-Q84 HydrophobicContact CD1-CB 4.42Å; S53-Q84 PolarHBondContact OG-N 2.98Å; F56-Q84 PolarHBondContact N-O 2.79Å; Q84-D108 WeakPolarHBondContact CA-O 3.34Å; Q84-D108 HydrophobicContact CB-CB 4.14Å; Q84-D108 HydrophobicContact CG-CB 4.21Å; Q84-D108 VanDerWaalsContact CG-OD2 3.31Å; Q84-D108 WeakPolarHBondContact CG-OD2 3.45Å; Q84-D108 PolarHBondContact NE2-OD2 3.34Å; Q84-N110 HydrophobicContact CG-CB 3.69Å; Q84-N110 PolarHBondContact OE1-ND2 3.3Å
85	F	97.9	Very high	96.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	147.2	175.3	-69.6	-71.4	0	0	0	112.5	F56 A58 F61 V83 L93 S96 V100 V107 D108 N110	F56-F85 HydrophobicContact CB-CD1 3.7Å; F56-F85 HydrophobicContact CB-CE1 3.74Å; F56-F85 HydrophobicContact CD2-CE1 4.23Å; F56-F85 HydrophobicContact CG-CE1 4.46Å; F56-F85 CarbonylContact O-C 3.2Å; F56-F85 VanDerWaalsContact O-CA 3.31Å; F56-F85 WeakPolarHBondContact O-CA 3.44Å; A58-F85 HydrophobicContact CB-CB 4.43Å; A58-F85 HydrophobicContact CB-CD1 4.28Å; F61-F85 HydrophobicContact CB-CE1 3.83Å; F61-F85 AromaticContact CD1-CE1 3.79Å; F61-F85 HydrophobicContact CD1-CE1 3.79Å; F61-F85 AromaticContact CD1-CZ 3.91Å; F61-F85 HydrophobicContact CD1-CZ 3.91Å; F61-F85 AromaticContact CD2-CE1 3.87Å; F61-F85 HydrophobicContact CD2-CE1 3.87Å; F61-F85 HydrophobicContact CD2-CZ 4.47Å; F61-F85 HydrophobicContact CE1-CE1 4.32Å; F61-F85 HydrophobicContact CE1-CZ 4.08Å; F61-F85 HydrophobicContact CE2-CE1 4.38Å; F61-F85 AromaticContact CG-CE1 3.54Å; F61-F85 HydrophobicContact CG-CE1 3.54Å; F61-F85 HydrophobicContact CG-CZ 4.13Å; F61-F85 HydrophobicContact CZ-CZ 4.43Å; V83-F85 HydrophobicContact CG1-CD2 4.35Å; V83-F85 HydrophobicContact CG1-CE1 4.48Å; V83-F85 HydrophobicContact CG1-CE2 3.7Å; V83-F85 HydrophobicContact CG1-CZ 3.77Å; F85-L93 HydrophobicContact CB-CD1 3.63Å; F85-L93 HydrophobicContact CD2-CD1 4.23Å; F85-L93 HydrophobicContact CG-CD1 4.13Å; F85-S96 WeakPolarHBondContact CZ-O 3.38Å; F85-V100 HydrophobicContact CE2-CG2 3.83Å; F85-V100 HydrophobicContact CZ-CG1 3.98Å; F85-V100 HydrophobicContact CZ-CG2 4.11Å; F85-V107 HydrophobicContact CD2-CG1 3.87Å; F85-V107 HydrophobicContact CE2-CG1 4.27Å; F85-D108 PolarHBondContact N-O 2.71Å; F85-N110 WeakPolarHBondContact O-CB 3.27Å; F85-N110 PolarHBondContact O-N 3.08Å
86	C	96.5	Very high	96.5	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.014	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	134.2	154.2	64	0	0	0	0	110.1	M55 F56 A58 Y123	M55-C86 HydrophobicContact CE-CB 4.37Å; M55-C86 HydrophobicContact CG-CB 3.91Å; M55-C86 HydrophobicContact SD-CB 3.75Å; F56-C86 PolarHBondContact O-N 3.05Å; A58-C86 WeakPolarHBondContact CB-O 3.31Å; A58-C86 PolarHBondContact N-O 3.09Å; C86-Y123 HydrophobicContact CB-CD2 3.39Å; C86-Y123 HydrophobicContact CB-CE2 3.83Å; C86-Y123 HydrophobicContact CB-CG 3.79Å; C86-Y123 WeakPolarHBondContact SG-CE2 3.5Å
87	A	97.2	Very high	96.6	Very high	4 Å²	4	29.9 Å²	29.9	3%	0.033	15%	0.146	C	C	.	.			trans	-152.6	161.6	-178.4	0	0	0	0	0	110.8	A58 L93 Y123 L127 M137	A58-A87 HydrophobicContact CB-CB 3.71Å; A87-L93 HydrophobicContact CB-CB 3.77Å; A87-L93 HydrophobicContact CB-CD1 3.85Å; A87-L93 HydrophobicContact CB-CD2 4.19Å; A87-L93 HydrophobicContact CB-CG 4.13Å; A87-Y123 WeakPolarHBondContact O-CB 3.19Å; A87-L127 WeakPolarHBondContact O-CD2 3.36Å; A87-M137 HydrophobicContact CB-SD 4.27Å
88	N	96.5	Very high	96.9	Very high	71 Å²	71	29.3 Å²	29.3	38%	0.38	14%	0.144	S	C	.	.	S	Bend	trans	-140.1	9.5	172.1	65	-9	0	0	0	111.7	G121 R122	N88-G121 PolarHBondContact ND2-O 2.99Å; N88-R122 WeakPolarHBondContact CB-O 3.19Å
89	D	98.1	Very high	97.1	Very high	75 Å²	75	32.7 Å²	32.7	40%	0.401	16%	0.161	S	C	.	.			trans	-132	128.5	178	-179.7	-57.4	0	0	0	107.8	E91 V92 L93	D89-E91 PolarHBondContact OD1-N 3.11Å; D89-V92 HydrophobicContact CB-CB 3.95Å; D89-V92 HydrophobicContact CB-CG2 3.95Å; D89-V92 PolarHBondContact OD1-N 3.44Å; D89-L93 WeakPolarHBondContact O-CB 3.16Å; D89-L93 PolarHBondContact O-N 2.75Å; D89-L93 VanDerWaalsContact O-N 3.09Å
90	T	98.3	Very high	97.3	Very high	24 Å²	24	28 Å²	28	15%	0.147	14%	0.144	C	C	.	.	H	α-helix	trans	-70.5	-40.4	-171.2	-65.3	0	0	0	0	112.6	L94 S136 M137 R140	T90-L94 PolarHBondContact O-N 3.34Å; T90-L94 VanDerWaalsContact O-N 3.16Å; T90-S136 PolarHBondContact OG1-OG 3.19Å; T90-M137 WeakPolarHBondContact OG1-CG 3.34Å; T90-R140 HydrophobicContact CG2-CB 3.3Å; T90-R140 HydrophobicContact CG2-CG 3.49Å; T90-R140 VanDerWaalsContact CG2-CG 3.49Å
91	E	98.3	Very high	97.5	Very high	86 Å²	86	28.8 Å²	28.8	40%	0.402	15%	0.146	S	C	.	.	H	α-helix	trans	-79.4	-35.6	-178.2	-64.1	-54.5	128	0	0	111.1	D89 L93 L94 Q95 R140	D89-E91 PolarHBondContact OD1-N 3.11Å; E91-L93 VanDerWaalsContact C-N 3.31Å; E91-L93 PolarHBondContact O-N 2.94Å; E91-L94 PolarHBondContact O-N 2.9Å; E91-Q95 VanDerWaalsContact O-CG 3.32Å; E91-Q95 WeakPolarHBondContact O-CG 3.44Å; E91-Q95 PolarHBondContact O-N 3.06Å; E91-R140 WeakPolarHBondContact OE1-CD 3.47Å; E91-R140 IonicContact OE1-CZ 3.59Å; E91-R140 IonicContact OE1-NE 3.79Å; E91-R140 PolarHBondContact OE1-NE 3.01Å; E91-R140 IonicContact OE1-NH2 2.78Å; E91-R140 IonicContact OE2-CZ 2.73Å; E91-R140 IonicContact OE2-NE 2.63Å; E91-R140 PolarHBondContact OE2-NE 2.96Å; E91-R140 IonicContact OE2-NH2 3.55Å; E91-R140 PolarHBondContact OE2-NH2 2.88Å
92	V	98.4	Very high	97.6	Very high	19 Å²	19	32.6 Å²	32.6	12%	0.115	17%	0.171	C	C	.	.	H	α-helix	trans	-62.1	-41.1	173	171.6	0	0	0	0	111.3	A58 L59 D89 S96	A58-V92 HydrophobicContact CB-CG1 4.07Å; L59-V92 HydrophobicContact CB-CG1 3.93Å; L59-V92 HydrophobicContact CD1-CG1 3.88Å; L59-V92 HydrophobicContact CD1-CG2 3.89Å; D89-V92 HydrophobicContact CB-CB 3.95Å; D89-V92 HydrophobicContact CB-CG2 3.95Å; D89-V92 PolarHBondContact OD1-N 3.44Å; V92-S96 WeakPolarHBondContact O-CB 3.38Å; V92-S96 PolarHBondContact O-N 2.87Å; V92-S96 PolarHBondContact O-OG 2.88Å
93	L	98.7	Very high	97.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.6	-43.2	175.9	179.9	59.5	0	0	0	111.3	A58 F85 A87 D89 E91 S96 S97 I109 M137 L141	A58-L93 HydrophobicContact CB-CD1 4.34Å; F85-L93 HydrophobicContact CB-CD1 3.63Å; F85-L93 HydrophobicContact CD2-CD1 4.23Å; F85-L93 HydrophobicContact CG-CD1 4.13Å; A87-L93 HydrophobicContact CB-CB 3.77Å; A87-L93 HydrophobicContact CB-CD1 3.85Å; A87-L93 HydrophobicContact CB-CD2 4.19Å; A87-L93 HydrophobicContact CB-CG 4.13Å; D89-L93 WeakPolarHBondContact O-CB 3.16Å; D89-L93 PolarHBondContact O-N 2.75Å; D89-L93 VanDerWaalsContact O-N 3.09Å; E91-L93 VanDerWaalsContact C-N 3.31Å; E91-L93 PolarHBondContact O-N 2.94Å; L93-S96 PolarHBondContact O-N 3.36Å; L93-S97 WeakPolarHBondContact O-CB 3.23Å; L93-S97 PolarHBondContact O-N 3.15Å; L93-S97 PolarHBondContact O-OG 3.02Å; L93-I109 HydrophobicContact CD2-CD1 3.86Å; L93-I109 HydrophobicContact CD2-CG1 4.13Å; L93-M137 HydrophobicContact CD2-CB 3.97Å; L93-M137 HydrophobicContact CD2-CG 4.18Å; L93-M137 HydrophobicContact CD2-SD 3.84Å; L93-L141 HydrophobicContact CD2-CD1 3.76Å; L93-L141 HydrophobicContact CD2-CG 4.22Å; L93-L141 HydrophobicContact CG-CD1 3.93Å; L93-L141 HydrophobicContact CG-CD2 4.15Å; L93-L141 HydrophobicContact CG-CG 4.34Å
94	L	98.6	Very high	97.6	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.026	19%	0.194	C	C	.	.	H	α-helix	trans	-60.4	-51.1	175.9	179.5	72.7	0	0	0	111.8	T90 E91 S96 S97 E98 R140 L141 L144	T90-L94 PolarHBondContact O-N 3.34Å; T90-L94 VanDerWaalsContact O-N 3.16Å; E91-L94 PolarHBondContact O-N 2.9Å; L94-S96 PolarHBondContact O-N 2.85Å; L94-S97 WeakPolarHBondContact O-CA 3.36Å; L94-S97 WeakPolarHBondContact O-CB 3.43Å; L94-S97 PolarHBondContact O-N 2.93Å; L94-E98 HydrophobicContact CD1-CG 4.35Å; L94-E98 HydrophobicContact CG-CG 4.36Å; L94-E98 WeakPolarHBondContact O-CG 3.38Å; L94-E98 PolarHBondContact O-N 3.15Å; L94-R140 HydrophobicContact CB-CG 4.48Å; L94-R140 HydrophobicContact CD2-CG 4.36Å; L94-R140 VanDerWaalsContact CD2-NH1 3.32Å; L94-L141 HydrophobicContact CB-CD2 4.06Å; L94-L141 HydrophobicContact CD1-CD2 3.87Å; L94-L144 HydrophobicContact CD1-CD2 3.82Å; L94-L144 HydrophobicContact CD1-CG 4.3Å
95	Q	98.3	Very high	97.5	Very high	99 Å²	99	39.2 Å²	39.2	46%	0.463	20%	0.198	S	C	.	.	H	α-helix	trans	-55.3	-41.6	178.3	-72.8	174	-5.3	0	0	111.8	A62 E91 S97 L99	A62-Q95 HydrophobicContact CB-CB 4.15Å; E91-Q95 VanDerWaalsContact O-CG 3.32Å; E91-Q95 WeakPolarHBondContact O-CG 3.44Å; E91-Q95 PolarHBondContact O-N 3.06Å; Q95-S97 VanDerWaalsContact C-N 3.35Å; Q95-L99 WeakPolarHBondContact O-CG 3.33Å; Q95-L99 PolarHBondContact O-N 2.81Å
96	S	98.6	Very high	97.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.4	-39	176.9	-53.8	0	0	0	0	112.2	A58 F85 V92 L93 L94 L99	A58-S96 VanDerWaalsContact C-OG 3.26Å; A58-S96 WeakPolarHBondContact CA-OG 3.37Å; A58-S96 WeakPolarHBondContact CB-OG 3.46Å; A58-S96 PolarHBondContact O-OG 2.62Å; F85-S96 WeakPolarHBondContact CZ-O 3.38Å; V92-S96 WeakPolarHBondContact O-CB 3.38Å; V92-S96 PolarHBondContact O-N 2.87Å; V92-S96 PolarHBondContact O-OG 2.88Å; L93-S96 PolarHBondContact O-N 3.36Å; L94-S96 PolarHBondContact O-N 2.85Å; S96-L99 PolarHBondContact O-N 2.83Å
97	S	98.6	Very high	97.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68	-43	-179.4	-56.9	0	0	0	0	111.5	L93 L94 Q95 L99 V100 I101	L93-S97 WeakPolarHBondContact O-CB 3.23Å; L93-S97 PolarHBondContact O-N 3.15Å; L93-S97 PolarHBondContact O-OG 3.02Å; L94-S97 WeakPolarHBondContact O-CA 3.36Å; L94-S97 WeakPolarHBondContact O-CB 3.43Å; L94-S97 PolarHBondContact O-N 2.93Å; Q95-S97 VanDerWaalsContact C-N 3.35Å; S97-L99 VanDerWaalsContact C-N 3.25Å; S97-L99 PolarHBondContact O-N 2.84Å; S97-V100 WeakPolarHBondContact O-CG2 3.45Å; S97-V100 PolarHBondContact O-N 3.42Å; S97-V100 VanDerWaalsContact O-N 3.08Å; S97-I101 WeakPolarHBondContact O-CG1 3.22Å; S97-I101 PolarHBondContact O-N 2.93Å
98	E	98.3	Very high	97.5	Very high	102 Å²	102	38.9 Å²	38.9	48%	0.477	20%	0.196	S	C	.	.	H	α-helix	trans	-58.6	-36.6	177.3	-72.7	175.2	160.3	0	0	112.4	L94 V100 L144	L94-E98 HydrophobicContact CD1-CG 4.35Å; L94-E98 HydrophobicContact CG-CG 4.36Å; L94-E98 WeakPolarHBondContact O-CG 3.38Å; L94-E98 PolarHBondContact O-N 3.15Å; E98-V100 PolarHBondContact O-N 2.63Å; E98-L144 HydrophobicContact CG-CD2 3.99Å
99	L	98.1	Very high	97.6	Very high	72 Å²	72	35.6 Å²	35.6	38%	0.377	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-21.8	178.3	-69.3	170.7	0	0	0	113.8	F61 Q95 S96 S97	F61-L99 HydrophobicContact CD1-CD1 4.32Å; F61-L99 HydrophobicContact CE1-CB 3.99Å; F61-L99 HydrophobicContact CE1-CD1 4.42Å; Q95-L99 WeakPolarHBondContact O-CG 3.33Å; Q95-L99 PolarHBondContact O-N 2.81Å; S96-L99 PolarHBondContact O-N 2.83Å; S97-L99 VanDerWaalsContact C-N 3.25Å; S97-L99 PolarHBondContact O-N 2.84Å
100	V	97.7	Very high	97.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-11.5	-177	-60	0	0	0	0	114.2	F61 F72 V83 F85 S97 E98 P102 Y103 C104 V107	F61-V100 HydrophobicContact CE1-CG1 3.44Å; F61-V100 VanDerWaalsContact CE1-CG1 3.44Å; F61-V100 HydrophobicContact CE2-CG1 4.43Å; F61-V100 HydrophobicContact CZ-CG1 3.37Å; F72-V100 HydrophobicContact CD1-CG1 4.34Å; F72-V100 HydrophobicContact CE1-CB 4.49Å; F72-V100 HydrophobicContact CE1-CG1 3.98Å; F72-V100 HydrophobicContact CZ-CG1 4.33Å; V83-V100 HydrophobicContact CB-CB 4.42Å; V83-V100 HydrophobicContact CB-CG2 4.07Å; V83-V100 HydrophobicContact CG1-CB 4.32Å; V83-V100 HydrophobicContact CG1-CG1 4.14Å; V83-V100 HydrophobicContact CG1-CG2 4.03Å; V83-V100 HydrophobicContact CG2-CB 4.3Å; V83-V100 HydrophobicContact CG2-CG2 4.46Å; F85-V100 HydrophobicContact CE2-CG2 3.83Å; F85-V100 HydrophobicContact CZ-CG1 3.98Å; F85-V100 HydrophobicContact CZ-CG2 4.11Å; S97-V100 WeakPolarHBondContact O-CG2 3.45Å; S97-V100 PolarHBondContact O-N 3.42Å; S97-V100 VanDerWaalsContact O-N 3.08Å; E98-V100 PolarHBondContact O-N 2.63Å; V100-P102 VanDerWaalsContact C-N 3.29Å; V100-P102 VanDerWaalsContact O-N 3.16Å; V100-Y103 WeakPolarHBondContact O-CA 3.45Å; V100-Y103 PolarHBondContact O-N 3.29Å; V100-C104 PolarHBondContact O-N 3.03Å; V100-C104 PolarHBondContact O-SG 3.11Å; V100-V107 HydrophobicContact CG2-CG2 3.94Å
101	I	96.6	Very high	97.5	Very high	41 Å²	41	31.5 Å²	31.5	21%	0.21	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-47.2	-45.1	178.8	-61	178.1	0	0	0	112.7	S97 Y103 L144 I146	S97-I101 WeakPolarHBondContact O-CG1 3.22Å; S97-I101 PolarHBondContact O-N 2.93Å; I101-Y103 PolarHBondContact O-N 3.11Å; I101-Y103 VanDerWaalsContact O-N 3.09Å; I101-L144 HydrophobicContact CD1-CD2 3.75Å; I101-L144 HydrophobicContact CG1-CD2 4.36Å; I101-I146 HydrophobicContact CB-CD1 4.33Å; I101-I146 HydrophobicContact CG1-CD1 4.06Å; I101-I146 HydrophobicContact CG1-CG1 4.25Å; I101-I146 HydrophobicContact CG2-CD1 4.42Å; I101-I146 HydrophobicContact CG2-CG2 4.27Å
102	P	95.9	Very high	97.2	Very high	81 Å²	81	27.6 Å²	27.6	53%	0.526	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-66	-15.6	-178.5	-21.1	34.5	0	0	0	114.1	R79 V100	R79-P102 PolarHBondContact NH2-O 2.92Å; V100-P102 VanDerWaalsContact C-N 3.29Å; V100-P102 VanDerWaalsContact O-N 3.16Å
103	Y	96.5	Very high	96.9	Very high	120 Å²	120	27.6 Å²	27.6	47%	0.471	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-118.8	-2.3	-164.5	-55	-67.3	0	0	0	114	F72 T74 V100 I101	F72-Y103 HydrophobicContact CE1-CD2 4.16Å; F72-Y103 HydrophobicContact CE1-CG 4.19Å; T74-Y103 HydrophobicContact CG2-CD1 4.4Å; V100-Y103 WeakPolarHBondContact O-CA 3.45Å; V100-Y103 PolarHBondContact O-N 3.29Å; I101-Y103 PolarHBondContact O-N 3.11Å; I101-Y103 VanDerWaalsContact O-N 3.09Å
104	C	95.5	Very high	96.5	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.014	14%	0.142	C	C	.	.			trans	-143.2	175.6	-179	68.6	0	0	0	0	111.1	R79 L81 V83 V100	R79-C104 PolarHBondContact NH1-O 3.09Å; R79-C104 VanDerWaalsContact NH1-O 3.12Å; L81-C104 HydrophobicContact CB-CB 4.5Å; L81-C104 HydrophobicContact CD2-CB 4.45Å; L81-C104 HydrophobicContact CG-CB 4.31Å; L81-C104 WeakPolarHBondContact O-CB 3.37Å; V83-C104 HydrophobicContact CB-CB 4.33Å; V83-C104 HydrophobicContact CG2-CB 3.55Å; V100-C104 PolarHBondContact O-N 3.03Å; V100-C104 PolarHBondContact O-SG 3.11Å
105	D	95.5	Very high	96	Very high	20 Å²	20	33.4 Å²	33.4	11%	0.107	17%	0.167	C	C	.	.	S	Bend	trans	-114.4	-16.4	-175.4	-51.5	-78.8	0	0	0	111.8	W14 R79 P80 L81 P147	W14-D105 HydrophobicContact CB-CB 4.48Å; W14-D105 HydrophobicContact CD2-CB 3.85Å; W14-D105 HydrophobicContact CE3-CB 4.05Å; W14-D105 HydrophobicContact CG-CB 4.04Å; W14-D105 WeakPolarHBondContact CZ3-O 3.41Å; R79-D105 IonicContact CZ-OD1 3.85Å; R79-D105 IonicContact NH1-OD1 3.36Å; R79-D105 PolarHBondContact NH1-OD1 3.26Å; R79-D105 IonicContact NH1-OD2 2.83Å; P80-D105 WeakPolarHBondContact CA-OD2 3.3Å; P80-D105 HydrophobicContact CB-CB 4.37Å; L81-D105 PolarHBondContact N-OD2 3.3Å; L81-D105 PolarHBondContact O-N 3.06Å; D105-P147 WeakPolarHBondContact O-CD 3.5Å
106	A	96.2	Very high	95.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	161.9	168.2	0	0	0	0	0	111.6	W14 L81 I82 V83 P147 T149	W14-A106 HydrophobicContact CH2-CB 4.23Å; W14-A106 HydrophobicContact CZ3-CB 3.99Å; L81-A106 PolarHBondContact O-N 3.46Å; I82-A106 WeakPolarHBondContact CA-O 3.49Å; I82-A106 HydrophobicContact CD1-CB 4.09Å; I82-A106 HydrophobicContact CG1-CB 4.01Å; I82-A106 HydrophobicContact CG2-CB 4.24Å; V83-A106 PolarHBondContact N-O 3.09Å; A106-P147 WeakPolarHBondContact CA-O 3.31Å; A106-P147 HydrophobicContact CB-CB 4.3Å; A106-P147 WeakPolarHBondContact CB-O 3.49Å; A106-T149 HydrophobicContact CB-CG2 4.17Å
107	V	97.5	Very high	95	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	137	170.2	172.9	0	0	0	0	109.7	V83 F85 V100 L141 L144 I146 P147 V148 T149	V83-V107 CarbonylContact O-C 3.55Å; V83-V107 WeakPolarHBondContact O-CA 3.38Å; F85-V107 HydrophobicContact CD2-CG1 3.87Å; F85-V107 HydrophobicContact CE2-CG1 4.27Å; V100-V107 HydrophobicContact CG2-CG2 3.94Å; V107-L141 HydrophobicContact CG1-CD1 4.36Å; V107-L144 HydrophobicContact CG2-CD1 4.43Å; V107-I146 HydrophobicContact CG2-CD1 3.94Å; V107-P147 PolarHBondContact N-O 2.77Å; V107-V148 CarbonylContact O-C 3.56Å; V107-V148 WeakPolarHBondContact O-CA 3.44Å; V107-T149 PolarHBondContact O-N 3.25Å; V107-T149 PolarHBondContact O-OG1 2.81Å
108	D	97.4	Very high	94.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136.5	176	-176.5	77.2	0	0	0	111.9	Y52 I82 V83 Q84 F85 T149 C150 K151	Y52-D108 HydrophobicContact CD1-CB 4.33Å; Y52-D108 HydrophobicContact CE1-CB 3.79Å; I82-D108 HydrophobicContact CG2-CB 3.58Å; V83-D108 PolarHBondContact O-N 3.12Å; Q84-D108 WeakPolarHBondContact CA-O 3.34Å; Q84-D108 HydrophobicContact CB-CB 4.14Å; Q84-D108 HydrophobicContact CG-CB 4.21Å; Q84-D108 VanDerWaalsContact CG-OD2 3.31Å; Q84-D108 WeakPolarHBondContact CG-OD2 3.45Å; Q84-D108 PolarHBondContact NE2-OD2 3.34Å; F85-D108 PolarHBondContact N-O 2.71Å; D108-T149 WeakPolarHBondContact CA-O 3.35Å; D108-T149 WeakPolarHBondContact CA-OG1 3.22Å; D108-T149 VanDerWaalsContact CB-OG1 3.25Å; D108-T149 WeakPolarHBondContact CB-OG1 3.35Å; D108-T149 VanDerWaalsContact OD1-C 3.25Å; D108-T149 PolarHBondContact OD1-OG1 2.81Å; D108-T149 VanDerWaalsContact OD1-OG1 3.1Å; D108-C150 WeakPolarHBondContact OD1-CA 3.25Å; D108-C150 PolarHBondContact OD1-N 3.48Å; D108-K151 PolarHBondContact OD1-N 2.87Å; D108-K151 VanDerWaalsContact OD1-N 3.12Å
109	I	98	Very high	94.3	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	112.7	168.7	-46	-177.1	0	0	0	108.6	L93 L111 M137 I138 L141 V148 T149 K151	L93-I109 HydrophobicContact CD2-CD1 3.86Å; L93-I109 HydrophobicContact CD2-CG1 4.13Å; I109-L111 HydrophobicContact CB-CG 4.48Å; I109-L111 HydrophobicContact CG2-CD1 4.48Å; I109-L111 HydrophobicContact CG2-CD2 3.84Å; I109-L111 HydrophobicContact CG2-CG 3.96Å; I109-L111 PolarHBondContact O-N 3.33Å; I109-L111 VanDerWaalsContact O-N 3.15Å; I109-M137 HydrophobicContact CD1-CB 4.27Å; I109-M137 HydrophobicContact CG2-CE 4.33Å; I109-I138 HydrophobicContact CD1-CG1 3.67Å; I109-L141 HydrophobicContact CD1-CD1 4.05Å; I109-L141 HydrophobicContact CG1-CD1 4.19Å; I109-V148 HydrophobicContact CD1-CG1 4.36Å; I109-V148 HydrophobicContact CG1-CG1 4.4Å; I109-T149 PolarHBondContact N-O 3.23Å; I109-K151 PolarHBondContact O-N 2.92Å; I109-K151 VanDerWaalsContact O-N 3.12Å
110	N	96.9	Very high	94	Very high	12 Å²	12	44.4 Å²	44.4	6%	0.064	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	105.5	173.1	-169.6	-46.4	0	0	0	110.3	M55 Q84 F85 G112 C113 G124	M55-N110 HydrophobicContact CG-CB 4.05Å; M55-N110 HydrophobicContact SD-CB 4.09Å; Q84-N110 HydrophobicContact CG-CB 3.69Å; Q84-N110 PolarHBondContact OE1-ND2 3.3Å; F85-N110 WeakPolarHBondContact O-CB 3.27Å; F85-N110 PolarHBondContact O-N 3.08Å; N110-G112 PolarHBondContact OD1-N 3.5Å; N110-C113 WeakPolarHBondContact OD1-CB 3.33Å; N110-C113 PolarHBondContact OD1-N 3.03Å; N110-G124 VanDerWaalsContact O-CA 3.31Å; N110-G124 WeakPolarHBondContact O-CA 3.43Å; N110-G124 PolarHBondContact O-N 3.17Å
111	L	97.5	Very high	93.7	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	13.9	174.8	-58.9	170.6	0	0	0	111.3	I109 G124 A125 L127 I134 C150 K151 V152 Y164 L168	I109-L111 HydrophobicContact CB-CG 4.48Å; I109-L111 HydrophobicContact CG2-CD1 4.48Å; I109-L111 HydrophobicContact CG2-CD2 3.84Å; I109-L111 HydrophobicContact CG2-CG 3.96Å; I109-L111 PolarHBondContact O-N 3.33Å; I109-L111 VanDerWaalsContact O-N 3.15Å; L111-G124 CarbonylContact C-O 3.35Å; L111-G124 CarbonylContact O-C 3.56Å; L111-A125 WeakPolarHBondContact O-CA 3.32Å; L111-A125 PolarHBondContact O-N 3.48Å; L111-L127 HydrophobicContact CD2-CD2 4.1Å; L111-I134 HydrophobicContact CD1-CD1 4.36Å; L111-I134 HydrophobicContact CD1-CG1 4.46Å; L111-I134 HydrophobicContact CD1-CG2 3.79Å; L111-I134 HydrophobicContact CD2-CD1 4.05Å; L111-I134 HydrophobicContact CD2-CG1 3.93Å; L111-C150 HydrophobicContact CD1-CB 4.38Å; L111-K151 CarbonylContact C-O 3.53Å; L111-K151 WeakPolarHBondContact CA-O 3.38Å; L111-K151 WeakPolarHBondContact CB-O 3.23Å; L111-K151 PolarHBondContact N-O 3.17Å; L111-V152 HydrophobicContact CB-CG1 4.07Å; L111-V152 HydrophobicContact CD1-CG1 4.25Å; L111-Y164 WeakPolarHBondContact CD1-OH 3.32Å; L111-L168 HydrophobicContact CD1-CD2 3.91Å
112	G	93.3	Very high	93.6	Very high	4 Å²	4	50.1 Å²	50.1	4%	0.041	25%	0.245	C	C	.	.			trans	-121.5	-11.8	-170.5	0	0	0	0	0	115.6	N110 P114 K151 R153	N110-G112 PolarHBondContact OD1-N 3.5Å; G112-P114 VanDerWaalsContact O-CD 3.3Å; G112-P114 WeakPolarHBondContact O-CD 3.38Å; G112-K151 PolarHBondContact N-O 3.49Å; G112-R153 WeakPolarHBondContact O-CD 3.4Å; G112-R153 WeakPolarHBondContact O-CG 3.39Å; G112-R153 PolarHBondContact O-NE 3.43Å
113	C	91.2	Very high	93.6	Very high	20 Å²	20	46.7 Å²	46.7	14%	0.135	22%	0.222	C	C	.	.			trans	-69	120.3	-178.1	-174.7	0	0	0	0	111.4	M55 N110 A118 A125	M55-C113 HydrophobicContact CE-CB 4.46Å; M55-C113 HydrophobicContact SD-CB 3.7Å; N110-C113 WeakPolarHBondContact OD1-CB 3.33Å; N110-C113 PolarHBondContact OD1-N 3.03Å; C113-A118 HydrophobicContact CB-CB 4.5Å; C113-A125 PolarHBondContact O-N 3.38Å
114	P	91.2	Very high	93.5	Very high	11 Å²	11	41 Å²	41	7%	0.071	20%	0.2	C	C	.	.			trans	-98.4	10.4	-176.9	44.1	-43.4	0	0	0	113.1	G112 R153 R183 K186	G112-P114 VanDerWaalsContact O-CD 3.3Å; G112-P114 WeakPolarHBondContact O-CD 3.38Å; P114-R153 VanDerWaalsContact CG-CZ 3.47Å; P114-R183 HydrophobicContact CB-CG 4.29Å; P114-R183 WeakPolarHBondContact CB-O 3.4Å; P114-K186 HydrophobicContact CB-CD 3.75Å; P114-K186 HydrophobicContact CG-CB 4.15Å; P114-K186 HydrophobicContact CG-CD 3.91Å; P114-K186 PolarHBondContact O-NZ 3.4Å
115	Q	87.4	Confident	93.4	Very high	115 Å²	115	40.9 Å²	40.9	54%	0.537	20%	0.199	S	C	.	.	S	Bend	trans	-67	153.9	-173.7	-66.3	-63.9	-11.5	0	0	111.6	I117 A118 K119	Q115-I117 HydrophobicContact CB-CG2 4.15Å; Q115-I117 PolarHBondContact O-N 3.31Å; Q115-I117 VanDerWaalsContact O-N 3.16Å; Q115-A118 WeakPolarHBondContact O-CA 3.28Å; Q115-A118 WeakPolarHBondContact O-CB 3.5Å; Q115-A118 PolarHBondContact O-N 3.39Å; Q115-K119 PolarHBondContact O-N 2.94Å
116	T	88	Confident	93.3	Very high	90 Å²	90	42.1 Å²	42.1	55%	0.552	20%	0.204	S	C	*	.	H	α-helix	trans	-58.2	-32.3	-178.7	-54.8	0	0	0	0	112.5	A118 K119 K120	T116-A118 VanDerWaalsContact C-N 3.31Å; T116-A118 PolarHBondContact O-N 2.95Å; T116-K119 WeakPolarHBondContact O-CB 3.27Å; T116-K119 PolarHBondContact O-N 3.4Å; T116-K120 PolarHBondContact O-N 2.89Å; T116-K120 VanDerWaalsContact O-N 3.09Å
117	I	87.9	Confident	93.3	Very high	102 Å²	102	42.2 Å²	42.2	52%	0.523	20%	0.204	S	C	.	.	H	α-helix	trans	-64.9	-36	175.7	-164.2	62.9	0	0	0	112.1	Q115 K119 K120 G121 Y123	Q115-I117 HydrophobicContact CB-CG2 4.15Å; Q115-I117 PolarHBondContact O-N 3.31Å; Q115-I117 VanDerWaalsContact O-N 3.16Å; I117-K119 VanDerWaalsContact C-N 3.35Å; I117-K120 PolarHBondContact O-N 3.22Å; I117-G121 PolarHBondContact O-N 3.44Å; I117-Y123 WeakPolarHBondContact CG1-OH 3.37Å; I117-Y123 PolarHBondContact O-OH 3.06Å
118	A	88.8	Confident	93.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-68.3	-34.3	174.6	0	0	0	0	0	112.3	C113 Q115 T116 R122 Y123 F126	C113-A118 HydrophobicContact CB-CB 4.5Å; Q115-A118 WeakPolarHBondContact O-CA 3.28Å; Q115-A118 WeakPolarHBondContact O-CB 3.5Å; Q115-A118 PolarHBondContact O-N 3.39Å; T116-A118 VanDerWaalsContact C-N 3.31Å; T116-A118 PolarHBondContact O-N 2.95Å; A118-R122 PolarHBondContact O-N 3.49Å; A118-Y123 HydrophobicContact CB-CD2 3.63Å; A118-Y123 HydrophobicContact CB-CE2 3.55Å; A118-Y123 PolarHBondContact O-N 3.29Å; A118-Y123 VanDerWaalsContact O-N 3.13Å; A118-F126 HydrophobicContact CB-CD2 4.11Å
119	K	92.6	Very high	93	Very high	140 Å²	140	46.2 Å²	46.2	61%	0.609	23%	0.226	S	C	*	.	H	α-helix	trans	-61.6	-49.1	171.5	-169.4	173.4	-177.6	178.8	0	111.4	Q115 T116 I117 G121 R122 F126	Q115-K119 PolarHBondContact O-N 2.94Å; T116-K119 WeakPolarHBondContact O-CB 3.27Å; T116-K119 PolarHBondContact O-N 3.4Å; I117-K119 VanDerWaalsContact C-N 3.35Å; K119-G121 VanDerWaalsContact C-N 3.35Å; K119-R122 PolarHBondContact O-N 3.02Å; K119-F126 HydrophobicContact CB-CD1 4.02Å; K119-F126 HydrophobicContact CB-CD2 3.73Å; K119-F126 HydrophobicContact CB-CE1 3.85Å; K119-F126 HydrophobicContact CB-CE2 3.55Å; K119-F126 HydrophobicContact CB-CG 3.95Å; K119-F126 HydrophobicContact CB-CZ 3.61Å; K119-F126 HydrophobicContact CD-CD1 4.33Å; K119-F126 HydrophobicContact CD-CE1 3.75Å; K119-F126 HydrophobicContact CD-CZ 4Å; K119-F126 HydrophobicContact CG-CD1 3.77Å; K119-F126 HydrophobicContact CG-CD2 4.41Å; K119-F126 HydrophobicContact CG-CE1 3.65Å; K119-F126 HydrophobicContact CG-CE2 4.3Å; K119-F126 HydrophobicContact CG-CG 4.15Å; K119-F126 HydrophobicContact CG-CZ 3.93Å
120	K	91.6	Very high	93	Very high	172 Å²	172	48.1 Å²	48.1	75%	0.748	24%	0.236	S	C	*	.	H	α-helix	trans	-63.8	-40.5	-179.6	-70.9	-176.9	178.3	-174.1	0	112	T116 I117	T116-K120 PolarHBondContact O-N 2.89Å; T116-K120 VanDerWaalsContact O-N 3.09Å; I117-K120 PolarHBondContact O-N 3.22Å
121	G	92.2	Very high	93.1	Very high	21 Å²	21	51.5 Å²	51.5	22%	0.216	25%	0.248	C	C	.	.	H	α-helix	trans	-84.6	-2.5	-179.9	0	0	0	0	0	115.3	N88 I117 K119 Y123	N88-G121 PolarHBondContact ND2-O 2.99Å; I117-G121 PolarHBondContact O-N 3.44Å; K119-G121 VanDerWaalsContact C-N 3.35Å; G121-Y123 VanDerWaalsContact C-N 3.32Å; G121-Y123 WeakPolarHBondContact O-CD1 3.3Å; G121-Y123 PolarHBondContact O-N 3.33Å
122	R	95.1	Very high	93.1	Very high	140 Å²	140	57 Å²	57	53%	0.528	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	49.4	-175.8	-166	-174.7	167.7	171.6	-4.6	112.4	N88 A118 K119 D130	N88-R122 WeakPolarHBondContact CB-O 3.19Å; A118-R122 PolarHBondContact O-N 3.49Å; K119-R122 PolarHBondContact O-N 3.02Å; R122-D130 IonicContact CZ-OD2 2.88Å; R122-D130 IonicContact NH2-OD2 3.15Å; R122-D130 PolarHBondContact NH2-OD2 2.98Å
123	Y	95.4	Very high	93.3	Very high	9 Å²	9	58.6 Å²	58.6	4%	0.035	29%	0.289	C	S	.	.			trans	-133.6	-176.5	172.3	54.4	-110.2	0	0	0	110.2	M55 H57 C86 A87 I117 A118 G121 F126	M55-Y123 HydrophobicContact CE-CE2 4.37Å; H57-Y123 AromaticContact CD2-CE1 3.8Å; H57-Y123 AromaticContact NE2-CE1 3.63Å; C86-Y123 HydrophobicContact CB-CD2 3.39Å; C86-Y123 HydrophobicContact CB-CE2 3.83Å; C86-Y123 HydrophobicContact CB-CG 3.79Å; C86-Y123 WeakPolarHBondContact SG-CE2 3.5Å; A87-Y123 WeakPolarHBondContact O-CB 3.19Å; I117-Y123 WeakPolarHBondContact CG1-OH 3.37Å; I117-Y123 PolarHBondContact O-OH 3.06Å; A118-Y123 HydrophobicContact CB-CD2 3.63Å; A118-Y123 HydrophobicContact CB-CE2 3.55Å; A118-Y123 PolarHBondContact O-N 3.29Å; A118-Y123 VanDerWaalsContact O-N 3.13Å; G121-Y123 VanDerWaalsContact C-N 3.32Å; G121-Y123 WeakPolarHBondContact O-CD1 3.3Å; G121-Y123 PolarHBondContact O-N 3.33Å; Y123-F126 PolarHBondContact O-N 3.43Å
124	G	93.5	Very high	93.7	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.01	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	62.8	-141.2	-177.8	0	0	0	0	0	111.4	N110 L111 F126 L127	N110-G124 VanDerWaalsContact O-CA 3.31Å; N110-G124 WeakPolarHBondContact O-CA 3.43Å; N110-G124 PolarHBondContact O-N 3.17Å; L111-G124 CarbonylContact C-O 3.35Å; L111-G124 CarbonylContact O-C 3.56Å; G124-F126 PolarHBondContact O-N 2.65Å; G124-L127 PolarHBondContact O-N 3.19Å
125	A	93.2	Very high	94	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-65.3	-12.5	-179.5	0	0	0	0	0	113.6	L111 C113 L127 Q128 R183	L111-A125 WeakPolarHBondContact O-CA 3.32Å; L111-A125 PolarHBondContact O-N 3.48Å; C113-A125 PolarHBondContact O-N 3.38Å; A125-L127 VanDerWaalsContact C-N 3.34Å; A125-Q128 WeakPolarHBondContact O-CG 2.96Å; A125-Q128 PolarHBondContact O-OE1 3.12Å; A125-R183 HydrophobicContact CB-CB 3.94Å; A125-R183 HydrophobicContact CB-CG 3.69Å; A125-R183 WeakPolarHBondContact O-CD 3.37Å; A125-R183 PolarHBondContact O-NH1 3.2Å
126	F	94.6	Very high	94.6	Very high	45 Å²	45	54.5 Å²	54.5	20%	0.197	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-88	-5.2	176	-62.8	-82.6	0	0	0	113.2	A118 K119 Y123 G124 R183	A118-F126 HydrophobicContact CB-CD2 4.11Å; K119-F126 HydrophobicContact CB-CD1 4.02Å; K119-F126 HydrophobicContact CB-CD2 3.73Å; K119-F126 HydrophobicContact CB-CE1 3.85Å; K119-F126 HydrophobicContact CB-CE2 3.55Å; K119-F126 HydrophobicContact CB-CG 3.95Å; K119-F126 HydrophobicContact CB-CZ 3.61Å; K119-F126 HydrophobicContact CD-CD1 4.33Å; K119-F126 HydrophobicContact CD-CE1 3.75Å; K119-F126 HydrophobicContact CD-CZ 4Å; K119-F126 HydrophobicContact CG-CD1 3.77Å; K119-F126 HydrophobicContact CG-CD2 4.41Å; K119-F126 HydrophobicContact CG-CE1 3.65Å; K119-F126 HydrophobicContact CG-CE2 4.3Å; K119-F126 HydrophobicContact CG-CG 4.15Å; K119-F126 HydrophobicContact CG-CZ 3.93Å; Y123-F126 PolarHBondContact O-N 3.43Å; G124-F126 PolarHBondContact O-N 2.65Å; F126-R183 HydrophobicContact CE1-CG 4.45Å; F126-R183 HydrophobicContact CZ-CG 4.3Å
127	L	95.2	Very high	95.1	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-14.5	170.4	-166.6	61.8	0	0	0	112.5	A87 L111 G124 A125 D129 D130 L133 I134 M137	A87-L127 WeakPolarHBondContact O-CD2 3.36Å; L111-L127 HydrophobicContact CD2-CD2 4.1Å; G124-L127 PolarHBondContact O-N 3.19Å; A125-L127 VanDerWaalsContact C-N 3.34Å; L127-D129 PolarHBondContact O-N 3.2Å; L127-D130 HydrophobicContact CD1-CB 4.03Å; L127-D130 PolarHBondContact O-N 2.87Å; L127-L133 HydrophobicContact CD1-CD2 3.76Å; L127-L133 HydrophobicContact CD1-CG 4.35Å; L127-I134 HydrophobicContact CD2-CG1 4.19Å; L127-I134 HydrophobicContact CG-CD1 4.29Å; L127-I134 HydrophobicContact CG-CG1 3.99Å; L127-I134 WeakPolarHBondContact O-CD1 3.36Å; L127-M137 HydrophobicContact CD2-CE 3.46Å; L127-M137 VanDerWaalsContact CD2-CE 3.46Å
128	Q	94.8	Very high	95.6	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.019	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-22.3	-172.8	78.4	-173.9	10.4	0	0	114.8	A125 W131 F155	A125-Q128 WeakPolarHBondContact O-CG 2.96Å; A125-Q128 PolarHBondContact O-OE1 3.12Å; Q128-W131 PolarHBondContact O-NE1 3.15Å; Q128-F155 HydrophobicContact CB-CZ 4.13Å; Q128-F155 HydrophobicContact CG-CE1 3.77Å; Q128-F155 HydrophobicContact CG-CZ 3.79Å
129	D	94.8	Very high	96.1	Very high	81 Å²	81	51.1 Å²	51.1	43%	0.433	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-9	179.8	-63.7	-65.2	0	0	0	112.8	L127 F155 K160 R183	L127-D129 PolarHBondContact O-N 3.2Å; D129-F155 WeakPolarHBondContact OD1-CE1 3.41Å; D129-K160 IonicContact OD1-NZ 2.95Å; D129-K160 PolarHBondContact OD1-NZ 3.39Å; D129-R183 IonicContact OD2-CZ 2.73Å; D129-R183 IonicContact OD2-NH1 3.91Å; D129-R183 PolarHBondContact OD2-NH1 3.48Å; D129-R183 IonicContact OD2-NH2 3.9Å
130	D	97.6	Very high	96.3	Very high	41 Å²	41	48.7 Å²	48.7	22%	0.219	23%	0.234	C	C	.	.			trans	-103.3	74.2	179.9	-164.6	-24.8	0	0	0	111.3	R122 L127 T132 L133 I134	R122-D130 IonicContact CZ-OD2 2.88Å; R122-D130 IonicContact NH2-OD2 3.15Å; R122-D130 PolarHBondContact NH2-OD2 2.98Å; L127-D130 HydrophobicContact CD1-CB 4.03Å; L127-D130 PolarHBondContact O-N 2.87Å; D130-T132 VanDerWaalsContact C-N 3.26Å; D130-T132 PolarHBondContact O-N 2.84Å; D130-L133 HydrophobicContact CB-CB 4.41Å; D130-L133 PolarHBondContact O-N 3.23Å; D130-L133 WeakPolarHBondContact OD1-CB 3.33Å; D130-L133 PolarHBondContact OD1-N 2.89Å; D130-I134 WeakPolarHBondContact O-CG1 3.4Å; D130-I134 PolarHBondContact O-N 3.3Å; D130-I134 VanDerWaalsContact O-N 3.08Å
131	W	98.3	Very high	96.6	Very high	82 Å²	82	40.5 Å²	40.5	31%	0.311	20%	0.199	S	C	.	.	H	α-helix	trans	-66	-28.9	-173.8	-65.6	4.6	0	0	0	113.1	Q128 S135 K160 A163 Y164 M167	Q128-W131 PolarHBondContact O-NE1 3.15Å; W131-S135 VanDerWaalsContact O-CB 3.23Å; W131-S135 WeakPolarHBondContact O-CB 3.46Å; W131-S135 PolarHBondContact O-N 3.22Å; W131-K160 HydrophobicContact CH2-CG 4.37Å; W131-K160 HydrophobicContact CZ2-CG 4Å; W131-A163 HydrophobicContact CH2-CB 3.97Å; W131-A163 HydrophobicContact CZ3-CB 4.39Å; W131-Y164 AromaticContact CD1-CD2 3.86Å; W131-Y164 AromaticContact CD1-CE2 3.97Å; W131-Y164 HydrophobicContact CD2-CD2 4.41Å; W131-Y164 AromaticContact CE2-CD2 3.82Å; W131-Y164 HydrophobicContact CG-CD2 4.44Å; W131-Y164 HydrophobicContact CZ2-CD2 4.3Å; W131-Y164 HydrophobicContact CZ2-CG 4.47Å; W131-Y164 AromaticContact NE1-CD2 3.44Å; W131-Y164 AromaticContact NE1-CE2 3.9Å; W131-M167 HydrophobicContact CB-CE 4.01Å; W131-M167 HydrophobicContact CG-CE 4.04Å
132	T	98.5	Very high	96.8	Very high	118 Å²	118	46.2 Å²	46.2	72%	0.724	22%	0.218	S	C	*	.	H	α-helix	trans	-64.1	-50.7	177.4	-58.9	0	0	0	0	110.7	D130 S135 S136	D130-T132 VanDerWaalsContact C-N 3.26Å; D130-T132 PolarHBondContact O-N 2.84Å; T132-S135 PolarHBondContact O-N 3.03Å; T132-S136 PolarHBondContact O-N 3.47Å
133	L	98.4	Very high	96.8	Very high	36 Å²	36	43.2 Å²	43.2	19%	0.188	22%	0.218	C	C	.	.	H	α-helix	trans	-67	-39.6	178.5	178.4	52.8	0	0	0	111.9	L127 D130 S135 S136 M137	L127-L133 HydrophobicContact CD1-CD2 3.76Å; L127-L133 HydrophobicContact CD1-CG 4.35Å; D130-L133 HydrophobicContact CB-CB 4.41Å; D130-L133 PolarHBondContact O-N 3.23Å; D130-L133 WeakPolarHBondContact OD1-CB 3.33Å; D130-L133 PolarHBondContact OD1-N 2.89Å; L133-S135 PolarHBondContact O-N 2.91Å; L133-S136 PolarHBondContact O-N 3.06Å; L133-S136 PolarHBondContact O-OG 3.27Å; L133-M137 HydrophobicContact CD1-CG 4.25Å; L133-M137 WeakPolarHBondContact O-CG 3.35Å; L133-M137 PolarHBondContact O-N 3.41Å
134	I	98.6	Very high	96.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-47	175.1	-68.7	167.2	0	0	0	110.8	L111 L127 D130 S136 M137 I138 Y164 M167 L168	L111-I134 HydrophobicContact CD1-CD1 4.36Å; L111-I134 HydrophobicContact CD1-CG1 4.46Å; L111-I134 HydrophobicContact CD1-CG2 3.79Å; L111-I134 HydrophobicContact CD2-CD1 4.05Å; L111-I134 HydrophobicContact CD2-CG1 3.93Å; L127-I134 HydrophobicContact CD2-CG1 4.19Å; L127-I134 HydrophobicContact CG-CD1 4.29Å; L127-I134 HydrophobicContact CG-CG1 3.99Å; L127-I134 WeakPolarHBondContact O-CD1 3.36Å; D130-I134 WeakPolarHBondContact O-CG1 3.4Å; D130-I134 PolarHBondContact O-N 3.3Å; D130-I134 VanDerWaalsContact O-N 3.08Å; I134-S136 VanDerWaalsContact C-N 3.32Å; I134-S136 PolarHBondContact O-N 2.98Å; I134-M137 HydrophobicContact CG1-CE 4.43Å; I134-M137 PolarHBondContact O-N 3.26Å; I134-I138 HydrophobicContact CG2-CD1 3.77Å; I134-I138 WeakPolarHBondContact O-CG1 3.42Å; I134-I138 PolarHBondContact O-N 3.12Å; I134-Y164 HydrophobicContact CD1-CE2 3.92Å; I134-Y164 WeakPolarHBondContact CD1-OH 3.36Å; I134-M167 HydrophobicContact CB-CE 4.34Å; I134-M167 HydrophobicContact CG2-CE 3.95Å; I134-L168 HydrophobicContact CG2-CD2 3.48Å; I134-L168 VanDerWaalsContact CG2-CD2 3.48Å
135	S	98.6	Very high	96.9	Very high	15 Å²	15	48.4 Å²	48.4	11%	0.105	25%	0.254	C	S	.	.	H	α-helix	trans	-61.2	-40.8	178	-172.3	0	0	0	0	111.7	W131 T132 L133 K139 S171	W131-S135 VanDerWaalsContact O-CB 3.23Å; W131-S135 WeakPolarHBondContact O-CB 3.46Å; W131-S135 PolarHBondContact O-N 3.22Å; T132-S135 PolarHBondContact O-N 3.03Å; L133-S135 PolarHBondContact O-N 2.91Å; S135-K139 VanDerWaalsContact O-CB 3.31Å; S135-K139 WeakPolarHBondContact O-CB 3.35Å; S135-K139 VanDerWaalsContact O-CG 3.24Å; S135-K139 WeakPolarHBondContact O-CG 3.18Å; S135-K139 PolarHBondContact O-N 3.12Å; S135-K139 WeakPolarHBondContact OG-CE 3.3Å; S135-K139 PolarHBondContact OG-NZ 3.1Å; S135-S171 WeakPolarHBondContact CB-OG 3.37Å; S135-S171 PolarHBondContact OG-OG 2.84Å
136	S	98.5	Very high	97	Very high	46 Å²	46	49.7 Å²	49.7	32%	0.322	26%	0.261	S	S	.	.	H	α-helix	trans	-65.1	-42.5	178.2	72.2	0	0	0	0	112.1	T90 T132 L133 I134 R140	T90-S136 PolarHBondContact OG1-OG 3.19Å; T132-S136 PolarHBondContact O-N 3.47Å; L133-S136 PolarHBondContact O-N 3.06Å; L133-S136 PolarHBondContact O-OG 3.27Å; I134-S136 VanDerWaalsContact C-N 3.32Å; I134-S136 PolarHBondContact O-N 2.98Å; S136-R140 VanDerWaalsContact O-CB 3.31Å; S136-R140 WeakPolarHBondContact O-CB 3.3Å; S136-R140 PolarHBondContact O-N 2.94Å
137	M	98.6	Very high	97.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.3	-50.9	176.3	-73.6	-167.3	-56	0	0	111.6	A87 T90 L93 I109 L127 L133 I134 K139 R140 L141	A87-M137 HydrophobicContact CB-SD 4.27Å; T90-M137 WeakPolarHBondContact OG1-CG 3.34Å; L93-M137 HydrophobicContact CD2-CB 3.97Å; L93-M137 HydrophobicContact CD2-CG 4.18Å; L93-M137 HydrophobicContact CD2-SD 3.84Å; I109-M137 HydrophobicContact CD1-CB 4.27Å; I109-M137 HydrophobicContact CG2-CE 4.33Å; L127-M137 HydrophobicContact CD2-CE 3.46Å; L127-M137 VanDerWaalsContact CD2-CE 3.46Å; L133-M137 HydrophobicContact CD1-CG 4.25Å; L133-M137 WeakPolarHBondContact O-CG 3.35Å; L133-M137 PolarHBondContact O-N 3.41Å; I134-M137 HydrophobicContact CG1-CE 4.43Å; I134-M137 PolarHBondContact O-N 3.26Å; M137-K139 PolarHBondContact O-N 3.34Å; M137-R140 PolarHBondContact O-N 3.24Å; M137-L141 WeakPolarHBondContact O-CG 3.47Å; M137-L141 PolarHBondContact O-N 3.03Å
138	I	98.6	Very high	97.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-47	-179.3	-62.9	166.3	0	0	0	110.5	I109 I134 R140 L141 K142 L168 S171 C173	I109-I138 HydrophobicContact CD1-CG1 3.67Å; I134-I138 HydrophobicContact CG2-CD1 3.77Å; I134-I138 WeakPolarHBondContact O-CG1 3.42Å; I134-I138 PolarHBondContact O-N 3.12Å; I138-R140 VanDerWaalsContact C-N 3.27Å; I138-R140 PolarHBondContact O-N 3.31Å; I138-L141 PolarHBondContact O-N 3.08Å; I138-K142 PolarHBondContact O-N 2.79Å; I138-L168 HydrophobicContact CD1-CB 4.43Å; I138-L168 HydrophobicContact CD1-CD2 3.41Å; I138-L168 VanDerWaalsContact CD1-CD2 3.41Å; I138-S171 WeakPolarHBondContact CG2-O 3.39Å; I138-C173 HydrophobicContact CG2-CB 4.42Å
139	K	98.6	Very high	97.3	Very high	120 Å²	120	48.2 Å²	48.2	52%	0.522	26%	0.256	S	S	.	.	H	α-helix	trans	-59.3	-39.4	177.7	-77	170.7	179.6	157.1	0	112.1	S135 M137 K142 S171	S135-K139 VanDerWaalsContact O-CB 3.31Å; S135-K139 WeakPolarHBondContact O-CB 3.35Å; S135-K139 VanDerWaalsContact O-CG 3.24Å; S135-K139 WeakPolarHBondContact O-CG 3.18Å; S135-K139 PolarHBondContact O-N 3.12Å; S135-K139 WeakPolarHBondContact OG-CE 3.3Å; S135-K139 PolarHBondContact OG-NZ 3.1Å; M137-K139 PolarHBondContact O-N 3.34Å; K139-K142 WeakPolarHBondContact O-CB 3.24Å; K139-K142 PolarHBondContact O-N 3.19Å; K139-S171 WeakPolarHBondContact CG-O 3.5Å
140	R	98.2	Very high	97.5	Very high	89 Å²	89	44.3 Å²	44.3	34%	0.336	24%	0.235	S	C	.	.	H	α-helix	trans	-65.2	-42.8	178	-174.6	67.7	173.8	96.8	-1	111.6	T90 E91 L94 S136 M137 I138 K142 S143	T90-R140 HydrophobicContact CG2-CB 3.3Å; T90-R140 HydrophobicContact CG2-CG 3.49Å; T90-R140 VanDerWaalsContact CG2-CG 3.49Å; E91-R140 WeakPolarHBondContact OE1-CD 3.47Å; E91-R140 IonicContact OE1-CZ 3.59Å; E91-R140 IonicContact OE1-NE 3.79Å; E91-R140 PolarHBondContact OE1-NE 3.01Å; E91-R140 IonicContact OE1-NH2 2.78Å; E91-R140 IonicContact OE2-CZ 2.73Å; E91-R140 IonicContact OE2-NE 2.63Å; E91-R140 PolarHBondContact OE2-NE 2.96Å; E91-R140 IonicContact OE2-NH2 3.55Å; E91-R140 PolarHBondContact OE2-NH2 2.88Å; L94-R140 HydrophobicContact CB-CG 4.48Å; L94-R140 HydrophobicContact CD2-CG 4.36Å; L94-R140 VanDerWaalsContact CD2-NH1 3.32Å; S136-R140 VanDerWaalsContact O-CB 3.31Å; S136-R140 WeakPolarHBondContact O-CB 3.3Å; S136-R140 PolarHBondContact O-N 2.94Å; M137-R140 PolarHBondContact O-N 3.24Å; I138-R140 VanDerWaalsContact C-N 3.27Å; I138-R140 PolarHBondContact O-N 3.31Å; R140-K142 PolarHBondContact O-N 2.81Å; R140-S143 PolarHBondContact NH1-OG 2.92Å; R140-S143 PolarHBondContact O-N 3.23Å; R140-S143 PolarHBondContact O-OG 2.79Å
141	L	98.2	Very high	97.4	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-69.7	-11.6	179.8	-65.6	-167.8	0	0	0	113.8	L93 L94 V107 I109 M137 I138 S143 L144 V148	L93-L141 HydrophobicContact CD2-CD1 3.76Å; L93-L141 HydrophobicContact CD2-CG 4.22Å; L93-L141 HydrophobicContact CG-CD1 3.93Å; L93-L141 HydrophobicContact CG-CD2 4.15Å; L93-L141 HydrophobicContact CG-CG 4.34Å; L94-L141 HydrophobicContact CB-CD2 4.06Å; L94-L141 HydrophobicContact CD1-CD2 3.87Å; V107-L141 HydrophobicContact CG1-CD1 4.36Å; I109-L141 HydrophobicContact CD1-CD1 4.05Å; I109-L141 HydrophobicContact CG1-CD1 4.19Å; M137-L141 WeakPolarHBondContact O-CG 3.47Å; M137-L141 PolarHBondContact O-N 3.03Å; I138-L141 PolarHBondContact O-N 3.08Å; L141-S143 PolarHBondContact O-N 2.87Å; L141-S143 VanDerWaalsContact O-N 3.08Å; L141-L144 HydrophobicContact CB-CD1 4.01Å; L141-L144 HydrophobicContact CB-CG 4.47Å; L141-L144 HydrophobicContact CD2-CD1 4.06Å; L141-L144 HydrophobicContact CG-CD1 4.42Å; L141-L144 VanDerWaalsContact O-CB 3.24Å; L141-L144 WeakPolarHBondContact O-CB 3.35Å; L141-L144 WeakPolarHBondContact O-CG 3.42Å; L141-L144 PolarHBondContact O-N 2.75Å; L141-V148 HydrophobicContact CB-CB 4.42Å; L141-V148 HydrophobicContact CB-CG1 4.11Å; L141-V148 HydrophobicContact CB-CG2 3.46Å; L141-V148 VanDerWaalsContact CB-CG2 3.46Å; L141-V148 HydrophobicContact CD1-CG1 3.92Å; L141-V148 HydrophobicContact CD1-CG2 4.33Å
142	K	95.1	Very high	97.4	Very high	141 Å²	141	39.5 Å²	39.5	61%	0.613	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-15.1	170.8	-65.1	-171.7	70.4	-176.6	0	114	I138 K139 R140	I138-K142 PolarHBondContact O-N 2.79Å; K139-K142 WeakPolarHBondContact O-CB 3.24Å; K139-K142 PolarHBondContact O-N 3.19Å; R140-K142 PolarHBondContact O-N 2.81Å
143	S	95.4	Very high	97.4	Very high	76 Å²	76	34.9 Å²	34.9	53%	0.531	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-10.3	172.9	64.5	0	0	0	0	113.3	R140 L141	R140-S143 PolarHBondContact NH1-OG 2.92Å; R140-S143 PolarHBondContact O-N 3.23Å; R140-S143 PolarHBondContact O-OG 2.79Å; L141-S143 PolarHBondContact O-N 2.87Å; L141-S143 VanDerWaalsContact O-N 3.08Å
144	L	96.1	Very high	97.4	Very high	19 Å²	19	33.2 Å²	33.2	10%	0.099	18%	0.176	C	C	.	.	S	Bend	trans	-69.6	153.6	174.4	-59.3	174.3	0	0	0	110.6	L94 E98 I101 V107 L141 I146 V148	L94-L144 HydrophobicContact CD1-CD2 3.82Å; L94-L144 HydrophobicContact CD1-CG 4.3Å; E98-L144 HydrophobicContact CG-CD2 3.99Å; I101-L144 HydrophobicContact CD1-CD2 3.75Å; I101-L144 HydrophobicContact CG1-CD2 4.36Å; V107-L144 HydrophobicContact CG2-CD1 4.43Å; L141-L144 HydrophobicContact CB-CD1 4.01Å; L141-L144 HydrophobicContact CB-CG 4.47Å; L141-L144 HydrophobicContact CD2-CD1 4.06Å; L141-L144 HydrophobicContact CG-CD1 4.42Å; L141-L144 VanDerWaalsContact O-CB 3.24Å; L141-L144 WeakPolarHBondContact O-CB 3.35Å; L141-L144 WeakPolarHBondContact O-CG 3.42Å; L141-L144 PolarHBondContact O-N 2.75Å; L144-I146 VanDerWaalsContact C-N 3.29Å; L144-I146 HydrophobicContact CB-CG1 4.48Å; L144-V148 HydrophobicContact CD1-CG2 4.27Å
145	S	94.4	Very high	97.4	Very high	101 Å²	101	34 Å²	34	71%	0.706	18%	0.179	S	C	*	.	S	Bend	trans	-82.5	-4.2	175	55	0	0	0	0	114.1
146	I	95.4	Very high	97.3	Very high	26 Å²	26	39.2 Å²	39.2	13%	0.133	21%	0.206	C	C	.	.	S	Bend	trans	-122.4	153.7	-179.9	56.5	170.8	0	0	0	110.6	I101 V107 L144	I101-I146 HydrophobicContact CB-CD1 4.33Å; I101-I146 HydrophobicContact CG1-CD1 4.06Å; I101-I146 HydrophobicContact CG1-CG1 4.25Å; I101-I146 HydrophobicContact CG2-CD1 4.42Å; I101-I146 HydrophobicContact CG2-CG2 4.27Å; V107-I146 HydrophobicContact CG2-CD1 3.94Å; L144-I146 VanDerWaalsContact C-N 3.29Å; L144-I146 HydrophobicContact CB-CG1 4.48Å
147	P	96.8	Very high	97.3	Very high	18 Å²	18	40.9 Å²	40.9	12%	0.117	21%	0.211	C	C	.	.			trans	-61.5	151.8	-176	-28.6	38.6	0	0	0	115.2	W14 I16 D105 A106 V107 E174	W14-P147 HydrophobicContact CE3-CG 4.28Å; W14-P147 HydrophobicContact CZ3-CB 4.41Å; W14-P147 HydrophobicContact CZ3-CG 3.92Å; I16-P147 HydrophobicContact CD1-CB 3.44Å; I16-P147 VanDerWaalsContact CD1-CB 3.44Å; I16-P147 HydrophobicContact CD1-CG 4Å; I16-P147 HydrophobicContact CG1-CB 4.14Å; I16-P147 HydrophobicContact CG1-CG 4.24Å; D105-P147 WeakPolarHBondContact O-CD 3.5Å; A106-P147 WeakPolarHBondContact CA-O 3.31Å; A106-P147 HydrophobicContact CB-CB 4.3Å; A106-P147 WeakPolarHBondContact CB-O 3.49Å; V107-P147 PolarHBondContact N-O 2.77Å; P147-E174 VanDerWaalsContact CA-OE1 3.28Å; P147-E174 WeakPolarHBondContact CA-OE1 3.46Å; P147-E174 HydrophobicContact CB-CB 4.36Å; P147-E174 WeakPolarHBondContact CB-OE1 3.33Å
148	V	97.2	Very high	97.2	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125	174.5	-175.9	0	0	0	0	109.5	V107 I109 L141 L144 E174	V107-V148 CarbonylContact O-C 3.56Å; V107-V148 WeakPolarHBondContact O-CA 3.44Å; I109-V148 HydrophobicContact CD1-CG1 4.36Å; I109-V148 HydrophobicContact CG1-CG1 4.4Å; L141-V148 HydrophobicContact CB-CB 4.42Å; L141-V148 HydrophobicContact CB-CG1 4.11Å; L141-V148 HydrophobicContact CB-CG2 3.46Å; L141-V148 VanDerWaalsContact CB-CG2 3.46Å; L141-V148 HydrophobicContact CD1-CG1 3.92Å; L141-V148 HydrophobicContact CD1-CG2 4.33Å; L144-V148 HydrophobicContact CD1-CG2 4.27Å; V148-E174 PolarHBondContact O-N 2.94Å
149	T	97.2	Very high	97.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	161.7	-178.6	67.7	0	0	0	0	110.2	I16 I82 A106 V107 D108 I109 L175	I16-T149 HydrophobicContact CD1-CG2 4.18Å; I82-T149 HydrophobicContact CD1-CG2 4.38Å; A106-T149 HydrophobicContact CB-CG2 4.17Å; V107-T149 PolarHBondContact O-N 3.25Å; V107-T149 PolarHBondContact O-OG1 2.81Å; D108-T149 WeakPolarHBondContact CA-O 3.35Å; D108-T149 WeakPolarHBondContact CA-OG1 3.22Å; D108-T149 VanDerWaalsContact CB-OG1 3.25Å; D108-T149 WeakPolarHBondContact CB-OG1 3.35Å; D108-T149 VanDerWaalsContact OD1-C 3.25Å; D108-T149 PolarHBondContact OD1-OG1 2.81Å; D108-T149 VanDerWaalsContact OD1-OG1 3.1Å; I109-T149 PolarHBondContact N-O 3.23Å; T149-L175 WeakPolarHBondContact CA-O 3.48Å; T149-L175 WeakPolarHBondContact CB-O 3.42Å; T149-L175 HydrophobicContact CG2-CB 3.7Å; T149-L175 HydrophobicContact CG2-CD2 4.47Å
150	C	98.1	Very high	97.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.1	177.5	-70.3	0	0	0	0	110.8	D108 L111 L175 L176 T177	D108-C150 WeakPolarHBondContact OD1-CA 3.25Å; D108-C150 PolarHBondContact OD1-N 3.48Å; L111-C150 HydrophobicContact CD1-CB 4.38Å; C150-L175 PolarHBondContact N-O 3.29Å; C150-L176 HydrophobicContact CB-CD1 4.11Å; C150-L176 WeakPolarHBondContact O-CA 3.36Å; C150-T177 PolarHBondContact O-N 3.08Å
151	K	97.4	Very high	97.2	Very high	16 Å²	16	41.1 Å²	41.1	7%	0.07	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	121.3	169	-174.5	178.4	-165.4	-59.2	0	110.9	D108 I109 L111 G112 T177 N212 M234	D108-K151 PolarHBondContact OD1-N 2.87Å; D108-K151 VanDerWaalsContact OD1-N 3.12Å; I109-K151 PolarHBondContact O-N 2.92Å; I109-K151 VanDerWaalsContact O-N 3.12Å; L111-K151 CarbonylContact C-O 3.53Å; L111-K151 WeakPolarHBondContact CA-O 3.38Å; L111-K151 WeakPolarHBondContact CB-O 3.23Å; L111-K151 PolarHBondContact N-O 3.17Å; G112-K151 PolarHBondContact N-O 3.49Å; K151-T177 CarbonylContact C-O 3.49Å; K151-T177 WeakPolarHBondContact CA-O 3.25Å; K151-T177 HydrophobicContact CD-CG2 4.37Å; K151-T177 HydrophobicContact CG-CG2 3.96Å; K151-N212 PolarHBondContact NZ-OD1 2.87Å; K151-M234 HydrophobicContact CD-SD 4.07Å; K151-M234 WeakPolarHBondContact CE-SD 3.37Å
152	V	98.1	Very high	97.3	Very high	6 Å²	6	42.4 Å²	42.4	4%	0.036	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	165.5	-174.3	-60.1	0	0	0	0	113.1	L111 Y164 L168 L176 T177 V178 H179	L111-V152 HydrophobicContact CB-CG1 4.07Å; L111-V152 HydrophobicContact CD1-CG1 4.25Å; V152-Y164 HydrophobicContact CB-CE1 3.92Å; V152-Y164 HydrophobicContact CG1-CD1 4.47Å; V152-Y164 HydrophobicContact CG1-CE1 3.57Å; V152-L168 HydrophobicContact CG1-CD1 3.61Å; V152-L176 HydrophobicContact CG1-CD1 3.95Å; V152-L176 HydrophobicContact CG2-CD1 3.84Å; V152-L176 HydrophobicContact CG2-CG 4.48Å; V152-T177 PolarHBondContact N-O 3.43Å; V152-V178 HydrophobicContact CG2-CB 4.36Å; V152-V178 HydrophobicContact CG2-CG1 4.3Å; V152-V178 HydrophobicContact CG2-CG2 4.08Å; V152-H179 WeakPolarHBondContact O-CB 3.44Å; V152-H179 PolarHBondContact O-N 2.96Å
153	R	98.1	Very high	97.4	Very high	21 Å²	21	37.5 Å²	37.5	8%	0.079	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	155.7	160.6	-82.1	-173.1	177.8	-139.5	-10.4	109.4	G112 P114 H179 R181 T182 R183 Q185	G112-R153 WeakPolarHBondContact O-CD 3.4Å; G112-R153 WeakPolarHBondContact O-CG 3.39Å; G112-R153 PolarHBondContact O-NE 3.43Å; P114-R153 VanDerWaalsContact CG-CZ 3.47Å; R153-H179 HydrophobicContact CG-CB 4.2Å; R153-R181 WeakPolarHBondContact CB-O 3.14Å; R153-R181 VanDerWaalsContact CG-O 3.3Å; R153-R181 WeakPolarHBondContact CG-O 3.31Å; R153-T182 WeakPolarHBondContact CD-O 3.49Å; R153-T182 PolarHBondContact NH1-O 3.25Å; R153-R183 PolarHBondContact NH1-O 2.95Å; R153-Q185 PolarHBondContact NH1-O 3.38Å
154	V	98.3	Very high	97.6	Very high	1 Å²	1	34 Å²	34	1%	0.006	20%	0.198	C	C	.	.			trans	-80.6	157.5	177.5	-60	0	0	0	0	111.6	T161 V178 H179 R181 T182 K197	V154-T161 HydrophobicContact CB-CG2 3.85Å; V154-T161 HydrophobicContact CG1-CG2 3.73Å; V154-V178 HydrophobicContact CG1-CG1 3.53Å; V154-H179 PolarHBondContact N-O 3.4Å; V154-R181 PolarHBondContact N-O 2.92Å; V154-T182 HydrophobicContact CG2-CG2 4.26Å; V154-T182 WeakPolarHBondContact O-CA 2.95Å; V154-K197 HydrophobicContact CB-CB 4.41Å; V154-K197 HydrophobicContact CB-CD 3.95Å; V154-K197 HydrophobicContact CG1-CB 3.99Å; V154-K197 HydrophobicContact CG1-CD 4.43Å; V154-K197 HydrophobicContact CG2-CD 3.71Å
155	F	97.9	Very high	97.7	Very high	15 Å²	15	33.2 Å²	33.2	7%	0.066	20%	0.195	C	C	.	.			trans	-85.5	167.4	165.1	-65.9	-81.9	0	0	0	110.4	Q128 D129 D157 K160 T161 Y164 K197	Q128-F155 HydrophobicContact CB-CZ 4.13Å; Q128-F155 HydrophobicContact CG-CE1 3.77Å; Q128-F155 HydrophobicContact CG-CZ 3.79Å; D129-F155 WeakPolarHBondContact OD1-CE1 3.41Å; F155-D157 VanDerWaalsContact C-N 3.34Å; F155-K160 HydrophobicContact CB-CB 4.3Å; F155-K160 HydrophobicContact CB-CD 4.28Å; F155-K160 HydrophobicContact CB-CG 4.37Å; F155-K160 HydrophobicContact CD1-CD 3.75Å; F155-K160 HydrophobicContact CD1-CG 4.37Å; F155-K160 HydrophobicContact CD2-CB 4.33Å; F155-K160 HydrophobicContact CD2-CD 4.09Å; F155-K160 HydrophobicContact CD2-CG 3.77Å; F155-K160 HydrophobicContact CE1-CD 4.05Å; F155-K160 VanDerWaalsContact CE1-NZ 3.32Å; F155-K160 HydrophobicContact CE2-CD 4.36Å; F155-K160 HydrophobicContact CE2-CG 4.11Å; F155-K160 HydrophobicContact CG-CB 4.36Å; F155-K160 HydrophobicContact CG-CD 3.76Å; F155-K160 HydrophobicContact CG-CG 3.91Å; F155-K160 HydrophobicContact CZ-CD 4.35Å; F155-T161 PolarHBondContact N-OG1 2.77Å; F155-T161 PolarHBondContact O-OG1 3.16Å; F155-Y164 AromaticContact CE2-CD1 3.73Å; F155-Y164 HydrophobicContact CE2-CD1 3.73Å; F155-Y164 HydrophobicContact CE2-CE1 4.36Å; F155-Y164 AromaticContact CE2-CG 3.83Å; F155-Y164 HydrophobicContact CE2-CG 3.83Å; F155-K197 WeakPolarHBondContact O-CE 3.38Å; F155-K197 PolarHBondContact O-NZ 2.98Å
156	D	96.6	Very high	97.9	Very high	125 Å²	125	32.7 Å²	32.7	67%	0.668	18%	0.181	S	C	*	.	S	Bend	trans	-61.3	-45.1	170.8	-72.6	-45.7	0	0	0	111.4	T182 K197	D156-T182 WeakPolarHBondContact OD1-CG2 3.24Å; D156-K197 VanDerWaalsContact O-CE 3.26Å; D156-K197 WeakPolarHBondContact O-CE 3.15Å; D156-K197 PolarHBondContact O-NZ 3.46Å
157	D	97.8	Very high	98.1	Very high	82 Å²	82	32.8 Å²	32.8	44%	0.439	18%	0.181	S	C	.	.	S	Bend	trans	-77.1	124.8	173	174.8	24.5	0	0	0	111.7	F155 S159 K160 T161	F155-D157 VanDerWaalsContact C-N 3.34Å; D157-S159 VanDerWaalsContact C-N 3.31Å; D157-S159 WeakPolarHBondContact OD1-CB 3.46Å; D157-S159 PolarHBondContact OD1-N 3.37Å; D157-K160 HydrophobicContact CB-CB 4.13Å; D157-K160 PolarHBondContact OD2-N 3.24Å; D157-T161 PolarHBondContact O-N 3.33Å; D157-T161 VanDerWaalsContact O-N 3.12Å; D157-T161 PolarHBondContact O-OG1 3.09Å
158	V	98.4	Very high	98.2	Very high	55 Å²	55	31.9 Å²	31.9	33%	0.333	18%	0.176	S	C	.	.	H	α-helix	trans	-65.6	-35.7	176.8	67.1	0	0	0	0	111.3	T161 V162 K197 A200	V158-T161 WeakPolarHBondContact O-CB 3.35Å; V158-T161 PolarHBondContact O-N 3.38Å; V158-V162 WeakPolarHBondContact O-CG2 3.31Å; V158-V162 PolarHBondContact O-N 2.94Å; V158-K197 HydrophobicContact CB-CG 4.44Å; V158-K197 HydrophobicContact CG2-CG 4.24Å; V158-A200 HydrophobicContact CG2-CB 3.6Å
159	S	98.4	Very high	98.2	Very high	80 Å²	80	34.1 Å²	34.1	56%	0.559	19%	0.186	S	C	*	.	H	α-helix	trans	-65.8	-46.1	179.5	-61.8	0	0	0	0	111.1	D157 T161 V162 A163	D157-S159 VanDerWaalsContact C-N 3.31Å; D157-S159 WeakPolarHBondContact OD1-CB 3.46Å; D157-S159 PolarHBondContact OD1-N 3.37Å; S159-T161 VanDerWaalsContact C-N 3.3Å; S159-T161 PolarHBondContact O-N 2.83Å; S159-V162 PolarHBondContact O-N 3.13Å; S159-A163 WeakPolarHBondContact O-CB 3.27Å; S159-A163 PolarHBondContact O-N 3.2Å
160	K	98.4	Very high	98.3	Very high	73 Å²	73	43 Å²	43	32%	0.317	23%	0.225	S	C	.	.	H	α-helix	trans	-60.3	-38.3	171.8	-170.5	177.4	175.7	-173.4	0	112.4	D129 W131 F155 D157 Y164	D129-K160 IonicContact OD1-NZ 2.95Å; D129-K160 PolarHBondContact OD1-NZ 3.39Å; W131-K160 HydrophobicContact CH2-CG 4.37Å; W131-K160 HydrophobicContact CZ2-CG 4Å; F155-K160 HydrophobicContact CB-CB 4.3Å; F155-K160 HydrophobicContact CB-CD 4.28Å; F155-K160 HydrophobicContact CB-CG 4.37Å; F155-K160 HydrophobicContact CD1-CD 3.75Å; F155-K160 HydrophobicContact CD1-CG 4.37Å; F155-K160 HydrophobicContact CD2-CB 4.33Å; F155-K160 HydrophobicContact CD2-CD 4.09Å; F155-K160 HydrophobicContact CD2-CG 3.77Å; F155-K160 HydrophobicContact CE1-CD 4.05Å; F155-K160 VanDerWaalsContact CE1-NZ 3.32Å; F155-K160 HydrophobicContact CE2-CD 4.36Å; F155-K160 HydrophobicContact CE2-CG 4.11Å; F155-K160 HydrophobicContact CG-CB 4.36Å; F155-K160 HydrophobicContact CG-CD 3.76Å; F155-K160 HydrophobicContact CG-CG 3.91Å; F155-K160 HydrophobicContact CZ-CD 4.35Å; D157-K160 HydrophobicContact CB-CB 4.13Å; D157-K160 PolarHBondContact OD2-N 3.24Å; K160-Y164 VanDerWaalsContact O-CB 3.26Å; K160-Y164 WeakPolarHBondContact O-CB 3.48Å; K160-Y164 PolarHBondContact O-N 2.98Å
161	T	98.6	Very high	98.3	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-63.2	-45.3	176.3	-57.4	0	0	0	0	111.9	V154 F155 D157 V158 S159 Y164 A165 V201	V154-T161 HydrophobicContact CB-CG2 3.85Å; V154-T161 HydrophobicContact CG1-CG2 3.73Å; F155-T161 PolarHBondContact N-OG1 2.77Å; F155-T161 PolarHBondContact O-OG1 3.16Å; D157-T161 PolarHBondContact O-N 3.33Å; D157-T161 VanDerWaalsContact O-N 3.12Å; D157-T161 PolarHBondContact O-OG1 3.09Å; V158-T161 WeakPolarHBondContact O-CB 3.35Å; V158-T161 PolarHBondContact O-N 3.38Å; S159-T161 VanDerWaalsContact C-N 3.3Å; S159-T161 PolarHBondContact O-N 2.83Å; T161-Y164 PolarHBondContact O-N 2.63Å; T161-A165 PolarHBondContact O-N 3.16Å; T161-V201 HydrophobicContact CG2-CG2 3.72Å
162	V	98.8	Very high	98.4	Very high	29 Å²	29	43 Å²	43	18%	0.176	23%	0.229	C	C	.	.	H	α-helix	trans	-64	-48.3	176.6	165.5	0	0	0	0	111.3	V158 S159 Y164 A165 Q166 A200	V158-V162 WeakPolarHBondContact O-CG2 3.31Å; V158-V162 PolarHBondContact O-N 2.94Å; S159-V162 PolarHBondContact O-N 3.13Å; V162-Y164 VanDerWaalsContact C-N 3.26Å; V162-Y164 PolarHBondContact O-N 3.09Å; V162-A165 PolarHBondContact O-N 3.48Å; V162-A165 VanDerWaalsContact O-N 3.15Å; V162-Q166 WeakPolarHBondContact O-CG 3.4Å; V162-Q166 PolarHBondContact O-N 2.98Å; V162-A200 HydrophobicContact CG2-CB 3.99Å
163	A	98.8	Very high	98.4	Very high	37 Å²	37	42.9 Å²	42.9	31%	0.306	23%	0.228	S	C	.	.	H	α-helix	trans	-60.1	-37.8	177.8	0	0	0	0	0	112.1	W131 S159 M167	W131-A163 HydrophobicContact CH2-CB 3.97Å; W131-A163 HydrophobicContact CZ3-CB 4.39Å; S159-A163 WeakPolarHBondContact O-CB 3.27Å; S159-A163 PolarHBondContact O-N 3.2Å; A163-M167 WeakPolarHBondContact O-CB 3.42Å; A163-M167 PolarHBondContact O-N 2.94Å
164	Y	98.7	Very high	98.3	Very high	3 Å²	3	46.2 Å²	46.2	1%	0.012	24%	0.244	C	C	.	.	H	α-helix	trans	-64	-46.7	174.6	-178.1	-132.5	0	0	0	111.9	L111 W131 I134 V152 F155 K160 T161 V162 Q166 M167 L168	L111-Y164 WeakPolarHBondContact CD1-OH 3.32Å; W131-Y164 AromaticContact CD1-CD2 3.86Å; W131-Y164 AromaticContact CD1-CE2 3.97Å; W131-Y164 HydrophobicContact CD2-CD2 4.41Å; W131-Y164 AromaticContact CE2-CD2 3.82Å; W131-Y164 HydrophobicContact CG-CD2 4.44Å; W131-Y164 HydrophobicContact CZ2-CD2 4.3Å; W131-Y164 HydrophobicContact CZ2-CG 4.47Å; W131-Y164 AromaticContact NE1-CD2 3.44Å; W131-Y164 AromaticContact NE1-CE2 3.9Å; I134-Y164 HydrophobicContact CD1-CE2 3.92Å; I134-Y164 WeakPolarHBondContact CD1-OH 3.36Å; V152-Y164 HydrophobicContact CB-CE1 3.92Å; V152-Y164 HydrophobicContact CG1-CD1 4.47Å; V152-Y164 HydrophobicContact CG1-CE1 3.57Å; F155-Y164 AromaticContact CE2-CD1 3.73Å; F155-Y164 HydrophobicContact CE2-CD1 3.73Å; F155-Y164 HydrophobicContact CE2-CE1 4.36Å; F155-Y164 AromaticContact CE2-CG 3.83Å; F155-Y164 HydrophobicContact CE2-CG 3.83Å; K160-Y164 VanDerWaalsContact O-CB 3.26Å; K160-Y164 WeakPolarHBondContact O-CB 3.48Å; K160-Y164 PolarHBondContact O-N 2.98Å; T161-Y164 PolarHBondContact O-N 2.63Å; V162-Y164 VanDerWaalsContact C-N 3.26Å; V162-Y164 PolarHBondContact O-N 3.09Å; Y164-Q166 PolarHBondContact O-N 3.23Å; Y164-M167 HydrophobicContact CD2-CE 3.57Å; Y164-M167 HydrophobicContact CE2-CE 3.57Å; Y164-M167 WeakPolarHBondContact O-CB 3.46Å; Y164-M167 PolarHBondContact O-N 3.13Å; Y164-L168 HydrophobicContact CD1-CD1 4.28Å; Y164-L168 HydrophobicContact CD2-CG 4.47Å; Y164-L168 HydrophobicContact CE1-CD1 4.06Å; Y164-L168 HydrophobicContact CE2-CD1 4.29Å; Y164-L168 HydrophobicContact CE2-CD2 4.15Å; Y164-L168 HydrophobicContact CE2-CG 4.27Å; Y164-L168 VanDerWaalsContact O-CG 3.32Å; Y164-L168 WeakPolarHBondContact O-CG 3.39Å; Y164-L168 PolarHBondContact O-N 3.26Å
165	A	98.8	Very high	98.2	Very high	3 Å²	3	46.2 Å²	46.2	3%	0.025	24%	0.244	C	C	.	.	H	α-helix	trans	-60.2	-43.7	176.3	0	0	0	0	0	112.8	T161 V162 M167 L168 E169 L176 V201 V205	T161-A165 PolarHBondContact O-N 3.16Å; V162-A165 PolarHBondContact O-N 3.48Å; V162-A165 VanDerWaalsContact O-N 3.15Å; A165-M167 VanDerWaalsContact C-N 3.32Å; A165-M167 PolarHBondContact O-N 2.83Å; A165-L168 WeakPolarHBondContact O-CB 3.32Å; A165-L168 PolarHBondContact O-N 2.83Å; A165-E169 PolarHBondContact O-N 3.16Å; A165-L176 HydrophobicContact CB-CD2 3.63Å; A165-V201 HydrophobicContact CB-CB 4.39Å; A165-V201 HydrophobicContact CB-CG1 3.56Å; A165-V201 HydrophobicContact CB-CG2 4.05Å; A165-V205 HydrophobicContact CB-CG1 4.04Å
166	Q	98.8	Very high	98.2	Very high	89 Å²	89	45.5 Å²	45.5	42%	0.416	24%	0.241	S	C	.	.	H	α-helix	trans	-63.2	-36.8	175.9	-70.6	176.5	-26.9	0	0	112.4	V162 Y164 K170 S204 V205	V162-Q166 WeakPolarHBondContact O-CG 3.4Å; V162-Q166 PolarHBondContact O-N 2.98Å; Y164-Q166 PolarHBondContact O-N 3.23Å; Q166-K170 VanDerWaalsContact O-CB 3.26Å; Q166-K170 WeakPolarHBondContact O-CB 3.4Å; Q166-K170 PolarHBondContact O-N 2.63Å; Q166-S204 PolarHBondContact NE2-O 3.26Å; Q166-V205 HydrophobicContact CG-CG1 4.24Å
167	M	98.6	Very high	98.2	Very high	28 Å²	28	39.6 Å²	39.6	14%	0.138	21%	0.21	C	C	.	.	H	α-helix	trans	-64.5	-41.6	174.6	-179.2	-76.2	-62.4	0	0	111.7	W131 I134 A163 Y164 A165 K170 S171	W131-M167 HydrophobicContact CB-CE 4.01Å; W131-M167 HydrophobicContact CG-CE 4.04Å; I134-M167 HydrophobicContact CB-CE 4.34Å; I134-M167 HydrophobicContact CG2-CE 3.95Å; A163-M167 WeakPolarHBondContact O-CB 3.42Å; A163-M167 PolarHBondContact O-N 2.94Å; Y164-M167 HydrophobicContact CD2-CE 3.57Å; Y164-M167 HydrophobicContact CE2-CE 3.57Å; Y164-M167 WeakPolarHBondContact O-CB 3.46Å; Y164-M167 PolarHBondContact O-N 3.13Å; A165-M167 VanDerWaalsContact C-N 3.32Å; A165-M167 PolarHBondContact O-N 2.83Å; M167-K170 PolarHBondContact O-N 2.76Å; M167-S171 WeakPolarHBondContact O-CB 3.37Å; M167-S171 PolarHBondContact O-N 3.46Å; M167-S171 PolarHBondContact O-OG 2.87Å
168	L	98.8	Very high	98.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.6	-49.3	176.9	-63.8	167.3	0	0	0	111	L111 I134 I138 V152 Y164 A165 S171 G172 C173 L176	L111-L168 HydrophobicContact CD1-CD2 3.91Å; I134-L168 HydrophobicContact CG2-CD2 3.48Å; I134-L168 VanDerWaalsContact CG2-CD2 3.48Å; I138-L168 HydrophobicContact CD1-CB 4.43Å; I138-L168 HydrophobicContact CD1-CD2 3.41Å; I138-L168 VanDerWaalsContact CD1-CD2 3.41Å; V152-L168 HydrophobicContact CG1-CD1 3.61Å; Y164-L168 HydrophobicContact CD1-CD1 4.28Å; Y164-L168 HydrophobicContact CD2-CG 4.47Å; Y164-L168 HydrophobicContact CE1-CD1 4.06Å; Y164-L168 HydrophobicContact CE2-CD1 4.29Å; Y164-L168 HydrophobicContact CE2-CD2 4.15Å; Y164-L168 HydrophobicContact CE2-CG 4.27Å; Y164-L168 VanDerWaalsContact O-CG 3.32Å; Y164-L168 WeakPolarHBondContact O-CG 3.39Å; Y164-L168 PolarHBondContact O-N 3.26Å; A165-L168 WeakPolarHBondContact O-CB 3.32Å; A165-L168 PolarHBondContact O-N 2.83Å; L168-S171 PolarHBondContact O-N 3.38Å; L168-S171 VanDerWaalsContact O-N 3.15Å; L168-G172 PolarHBondContact O-N 2.82Å; L168-C173 HydrophobicContact CB-CB 4.09Å; L168-C173 WeakPolarHBondContact O-CB 3.43Å; L168-C173 PolarHBondContact O-N 2.93Å; L168-L176 HydrophobicContact CD1-CD1 3.66Å
169	E	98.6	Very high	98.1	Very high	49 Å²	49	33.9 Å²	33.9	23%	0.229	18%	0.177	C	C	.	.	H	α-helix	trans	-56.6	-51.7	175.3	178	178	-128.7	0	0	111.2	A165 S171 G172 V205 R206 I207	A165-E169 PolarHBondContact O-N 3.16Å; E169-S171 PolarHBondContact O-N 2.7Å; E169-S171 VanDerWaalsContact O-N 3.16Å; E169-G172 PolarHBondContact O-N 2.68Å; E169-V205 HydrophobicContact CB-CG1 4.35Å; E169-R206 WeakPolarHBondContact OE1-CA 3.33Å; E169-R206 WeakPolarHBondContact OE1-CB 3.19Å; E169-R206 PolarHBondContact OE1-N 3.45Å; E169-I207 HydrophobicContact CB-CD1 3.94Å; E169-I207 HydrophobicContact CB-CG1 4.3Å; E169-I207 HydrophobicContact CG-CD1 4.26Å; E169-I207 HydrophobicContact CG-CG1 4.21Å; E169-I207 HydrophobicContact CG-CG2 3.97Å; E169-I207 PolarHBondContact OE1-N 2.72Å
170	K	98.6	Very high	98.1	Very high	187 Å²	187	30.1 Å²	30.1	81%	0.813	15%	0.15	S	C	*	.	H	α-helix	trans	-59.7	-29.4	178.8	-176.8	176.8	179.1	179	0	112.8	Q166 M167 G172	Q166-K170 VanDerWaalsContact O-CB 3.26Å; Q166-K170 WeakPolarHBondContact O-CB 3.4Å; Q166-K170 PolarHBondContact O-N 2.63Å; M167-K170 PolarHBondContact O-N 2.76Å; K170-G172 VanDerWaalsContact C-N 3.28Å
171	S	98.6	Very high	98	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.021	14%	0.14	C	C	.	.	H	α-helix	trans	-77.1	-16.8	177.9	-58.8	0	0	0	0	112.8	S135 I138 K139 M167 L168 E169	S135-S171 WeakPolarHBondContact CB-OG 3.37Å; S135-S171 PolarHBondContact OG-OG 2.84Å; I138-S171 WeakPolarHBondContact CG2-O 3.39Å; K139-S171 WeakPolarHBondContact CG-O 3.5Å; M167-S171 WeakPolarHBondContact O-CB 3.37Å; M167-S171 PolarHBondContact O-N 3.46Å; M167-S171 PolarHBondContact O-OG 2.87Å; L168-S171 PolarHBondContact O-N 3.38Å; L168-S171 VanDerWaalsContact O-N 3.15Å; E169-S171 PolarHBondContact O-N 2.7Å; E169-S171 VanDerWaalsContact O-N 3.16Å
172	G	98	Very high	97.9	Very high	13 Å²	13	27.9 Å²	27.9	13%	0.134	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	114.1	14.1	178.2	0	0	0	0	0	114.9	L168 E169 K170 E174	L168-G172 PolarHBondContact O-N 2.82Å; E169-G172 PolarHBondContact O-N 2.68Å; K170-G172 VanDerWaalsContact C-N 3.28Å; G172-E174 PolarHBondContact O-N 3.36Å
173	C	98	Very high	97.7	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.02	14%	0.14	C	C	.	.			trans	-63.8	128.5	169.2	178.7	0	0	0	0	109	I138 L168 L175 I207	I138-C173 HydrophobicContact CG2-CB 4.42Å; L168-C173 HydrophobicContact CB-CB 4.09Å; L168-C173 WeakPolarHBondContact O-CB 3.43Å; L168-C173 PolarHBondContact O-N 2.93Å; C173-L175 PolarHBondContact SG-O 3.3Å; C173-I207 HydrophobicContact CB-CD1 4.37Å; C173-I207 VanDerWaalsContact O-CD1 3.31Å; C173-I207 WeakPolarHBondContact O-CD1 3.5Å
174	E	97.2	Very high	97.5	Very high	90 Å²	90	31.6 Å²	31.6	42%	0.421	15%	0.147	S	C	.	.	S	Bend	trans	-101.6	-17	-175.5	-65.6	-179.9	-113.9	0	0	113.4	I16 P147 V148 G172 P208	I16-E174 HydrophobicContact CD1-CB 3.4Å; I16-E174 VanDerWaalsContact CD1-CB 3.4Å; P147-E174 VanDerWaalsContact CA-OE1 3.28Å; P147-E174 WeakPolarHBondContact CA-OE1 3.46Å; P147-E174 HydrophobicContact CB-CB 4.36Å; P147-E174 WeakPolarHBondContact CB-OE1 3.33Å; V148-E174 PolarHBondContact O-N 2.94Å; G172-E174 PolarHBondContact O-N 3.36Å; E174-P208 WeakPolarHBondContact O-CD 3.46Å
175	L	95.8	Very high	97.2	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	132.9	171.4	179.3	152.6	0	0	0	110	I16 T149 C150 C173 P208 F210	I16-L175 HydrophobicContact CD1-CB 4.02Å; I16-L175 HydrophobicContact CG2-CB 4.21Å; I16-L175 HydrophobicContact CG2-CD1 3.84Å; T149-L175 WeakPolarHBondContact CA-O 3.48Å; T149-L175 WeakPolarHBondContact CB-O 3.42Å; T149-L175 HydrophobicContact CG2-CB 3.7Å; T149-L175 HydrophobicContact CG2-CD2 4.47Å; C150-L175 PolarHBondContact N-O 3.29Å; C173-L175 PolarHBondContact SG-O 3.3Å; L175-P208 HydrophobicContact CD1-CB 4.36Å; L175-P208 HydrophobicContact CG-CB 4.39Å; L175-F210 HydrophobicContact CD1-CD2 4.06Å; L175-F210 HydrophobicContact CD1-CE1 4.1Å; L175-F210 HydrophobicContact CD1-CE2 3.49Å; L175-F210 VanDerWaalsContact CD1-CE2 3.49Å; L175-F210 HydrophobicContact CD1-CZ 3.55Å; L175-F210 HydrophobicContact CD2-CD2 3.76Å; L175-F210 HydrophobicContact CD2-CE2 3.99Å; L175-F210 HydrophobicContact CD2-CG 4.28Å; L175-F210 HydrophobicContact CG-CD2 4.36Å; L175-F210 HydrophobicContact CG-CE2 4.27Å
176	L	97.4	Very high	96.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	114.2	-177.3	-178.2	63.1	0	0	0	111.4	C150 V152 A165 L168 V178 V201 I207 P208 V209 F210	C150-L176 HydrophobicContact CB-CD1 4.11Å; C150-L176 WeakPolarHBondContact O-CA 3.36Å; V152-L176 HydrophobicContact CG1-CD1 3.95Å; V152-L176 HydrophobicContact CG2-CD1 3.84Å; V152-L176 HydrophobicContact CG2-CG 4.48Å; A165-L176 HydrophobicContact CB-CD2 3.63Å; L168-L176 HydrophobicContact CD1-CD1 3.66Å; L176-V178 HydrophobicContact CD2-CG2 3.88Å; L176-V178 HydrophobicContact CG-CG2 3.78Å; L176-V201 HydrophobicContact CD2-CG1 3.77Å; L176-I207 HydrophobicContact CB-CD1 4.02Å; L176-P208 PolarHBondContact N-O 3.2Å; L176-V209 CarbonylContact O-C 3.59Å; L176-V209 VanDerWaalsContact O-CA 3.22Å; L176-V209 WeakPolarHBondContact O-CA 3.35Å; L176-F210 PolarHBondContact O-N 3.46Å
177	T	97	Very high	95.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	118.5	168.1	-62	0	0	0	0	110.1	C150 K151 V152 F210 N212 M234	C150-T177 PolarHBondContact O-N 3.08Å; K151-T177 CarbonylContact C-O 3.49Å; K151-T177 WeakPolarHBondContact CA-O 3.25Å; K151-T177 HydrophobicContact CD-CG2 4.37Å; K151-T177 HydrophobicContact CG-CG2 3.96Å; V152-T177 PolarHBondContact N-O 3.43Å; T177-F210 WeakPolarHBondContact CA-O 3.48Å; T177-F210 HydrophobicContact CG2-CB 4.33Å; T177-N212 HydrophobicContact CG2-CB 3.9Å; T177-M234 HydrophobicContact CG2-CB 4.23Å; T177-M234 HydrophobicContact CG2-CE 3.74Å; T177-M234 HydrophobicContact CG2-SD 3.67Å
178	V	98.1	Very high	94.9	Very high	1 Å²	1	40 Å²	40	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	112.1	-179.4	-173	0	0	0	0	110.1	V152 V154 L176 G180 I198 V201 V209 F210 N212	V152-V178 HydrophobicContact CG2-CB 4.36Å; V152-V178 HydrophobicContact CG2-CG1 4.3Å; V152-V178 HydrophobicContact CG2-CG2 4.08Å; V154-V178 HydrophobicContact CG1-CG1 3.53Å; L176-V178 HydrophobicContact CD2-CG2 3.88Å; L176-V178 HydrophobicContact CG-CG2 3.78Å; V178-G180 PolarHBondContact O-N 3.14Å; V178-I198 HydrophobicContact CB-CG1 4.16Å; V178-I198 HydrophobicContact CB-CG2 4.47Å; V178-I198 HydrophobicContact CG1-CG1 3.86Å; V178-I198 WeakPolarHBondContact O-CD1 3.37Å; V178-V201 HydrophobicContact CG2-CB 4.42Å; V178-V201 HydrophobicContact CG2-CG1 3.88Å; V178-V209 HydrophobicContact CG2-CG1 3.88Å; V178-F210 PolarHBondContact N-O 3.23Å; V178-N212 PolarHBondContact O-N 2.93Å
179	H	97.1	Very high	94.2	Very high	17 Å²	17	45.5 Å²	45.5	8%	0.079	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	113.5	166.2	-167.8	176.3	0	0	0	108.6	V152 R153 V154 R181 N212	V152-H179 WeakPolarHBondContact O-CB 3.44Å; V152-H179 PolarHBondContact O-N 2.96Å; R153-H179 HydrophobicContact CG-CB 4.2Å; V154-H179 PolarHBondContact N-O 3.4Å; H179-R181 WeakPolarHBondContact NE2-CD 3.4Å; H179-R181 PolarHBondContact NE2-NH1 3.32Å; H179-R181 PolarHBondContact O-N 2.99Å; H179-N212 WeakPolarHBondContact CA-O 3.34Å; H179-N212 HydrophobicContact CB-CB 4.23Å; H179-N212 WeakPolarHBondContact CB-OD1 3.39Å; H179-N212 PolarHBondContact CD2-O 3.08Å; H179-N212 VanDerWaalsContact CD2-O 3.26Å; H179-N212 VanDerWaalsContact CG-OD1 3.25Å
180	G	97.2	Very high	93.5	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-64.6	16.7	-179.2	0	0	0	0	0	115.5	V178 A193 S194 N212	V178-G180 PolarHBondContact O-N 3.14Å; G180-A193 CarbonylContact O-C 3.56Å; G180-A193 WeakPolarHBondContact O-CA 3.45Å; G180-S194 PolarHBondContact O-N 2.88Å; G180-N212 PolarHBondContact N-O 2.82Å; G180-N212 VanDerWaalsContact N-O 3.11Å
181	R	96.8	Very high	93	Very high	27 Å²	27	36.9 Å²	36.9	10%	0.102	22%	0.216	C	C	.	.	S	Bend	trans	-111.5	145.9	176.5	-70.3	-174.4	-177.3	124.2	3.7	111	R153 V154 H179 Q185 T190 G191 A193 N214	R153-R181 WeakPolarHBondContact CB-O 3.14Å; R153-R181 VanDerWaalsContact CG-O 3.3Å; R153-R181 WeakPolarHBondContact CG-O 3.31Å; V154-R181 PolarHBondContact N-O 2.92Å; H179-R181 WeakPolarHBondContact NE2-CD 3.4Å; H179-R181 PolarHBondContact NE2-NH1 3.32Å; H179-R181 PolarHBondContact O-N 2.99Å; R181-Q185 HydrophobicContact CB-CB 3.88Å; R181-Q185 HydrophobicContact CG-CB 4.26Å; R181-T190 VanDerWaalsContact CD-O 3.3Å; R181-T190 WeakPolarHBondContact CD-O 3.38Å; R181-T190 PolarHBondContact NE-O 3.11Å; R181-G191 PolarHBondContact NE-O 2.9Å; R181-G191 VanDerWaalsContact NE-O 3.09Å; R181-G191 PolarHBondContact NH2-O 3.23Å; R181-A193 HydrophobicContact CG-CB 3.97Å; R181-N214 PolarHBondContact NH2-OD1 3.08Å
182	T	96.6	Very high	92.7	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.031	24%	0.238	C	C	.	.			trans	-74.6	168.5	171.3	69	0	0	0	0	111.8	R153 V154 D156 E184 Q185	R153-T182 WeakPolarHBondContact CD-O 3.49Å; R153-T182 PolarHBondContact NH1-O 3.25Å; V154-T182 HydrophobicContact CG2-CG2 4.26Å; V154-T182 WeakPolarHBondContact O-CA 2.95Å; D156-T182 WeakPolarHBondContact OD1-CG2 3.24Å; T182-E184 PolarHBondContact O-N 3.01Å; T182-Q185 PolarHBondContact O-N 2.85Å; T182-Q185 WeakPolarHBondContact OG1-CG 3.31Å; T182-Q185 PolarHBondContact OG1-N 3.35Å
183	R	94.5	Very high	92.5	Very high	47 Å²	47	40.1 Å²	40.1	18%	0.177	23%	0.233	C	C	.	.	S	Bend	trans	-59.3	-33.4	176.7	175.2	175.3	64	-151.5	-1.9	112.3	P114 A125 F126 D129 R153	P114-R183 HydrophobicContact CB-CG 4.29Å; P114-R183 WeakPolarHBondContact CB-O 3.4Å; A125-R183 HydrophobicContact CB-CB 3.94Å; A125-R183 HydrophobicContact CB-CG 3.69Å; A125-R183 WeakPolarHBondContact O-CD 3.37Å; A125-R183 PolarHBondContact O-NH1 3.2Å; F126-R183 HydrophobicContact CE1-CG 4.45Å; F126-R183 HydrophobicContact CZ-CG 4.3Å; D129-R183 IonicContact OD2-CZ 2.73Å; D129-R183 IonicContact OD2-NH1 3.91Å; D129-R183 PolarHBondContact OD2-NH1 3.48Å; D129-R183 IonicContact OD2-NH2 3.9Å; R153-R183 PolarHBondContact NH1-O 2.95Å
184	E	93.5	Very high	92.5	Very high	97 Å²	97	41.5 Å²	41.5	45%	0.453	24%	0.243	S	C	.	.	S	Bend	trans	-76.9	-26.4	-177.8	-65.4	65	-141.7	0	0	111.4	T182 K186	T182-E184 PolarHBondContact O-N 3.01Å; E184-K186 PolarHBondContact O-N 3.45Å
185	Q	92.1	Very high	92.5	Very high	49 Å²	49	39.3 Å²	39.3	23%	0.229	23%	0.231	C	C	.	.			trans	-74	83.2	173.9	-75.6	-179.7	-65.3	0	0	112.1	R153 R181 T182 N189 T190 T192	R153-Q185 PolarHBondContact NH1-O 3.38Å; R181-Q185 HydrophobicContact CB-CB 3.88Å; R181-Q185 HydrophobicContact CG-CB 4.26Å; T182-Q185 PolarHBondContact O-N 2.85Å; T182-Q185 WeakPolarHBondContact OG1-CG 3.31Å; T182-Q185 PolarHBondContact OG1-N 3.35Å; Q185-N189 VanDerWaalsContact CA-O 3.24Å; Q185-N189 WeakPolarHBondContact CA-O 3.47Å; Q185-T190 WeakPolarHBondContact CB-O 3.38Å; Q185-T192 PolarHBondContact NE2-O 2.79Å
186	K	87	Confident	92.7	Very high	78 Å²	78	46.5 Å²	46.5	34%	0.339	27%	0.265	S	S	.	.			trans	-150.9	159.9	178.5	74.4	-168.7	-169.2	-174.3	0	112	P114 E184 S188 N189	P114-K186 HydrophobicContact CB-CD 3.75Å; P114-K186 HydrophobicContact CG-CB 4.15Å; P114-K186 HydrophobicContact CG-CD 3.91Å; P114-K186 PolarHBondContact O-NZ 3.4Å; E184-K186 PolarHBondContact O-N 3.45Å; K186-S188 PolarHBondContact O-N 3.14Å; K186-N189 PolarHBondContact O-N 2.97Å
187	G	82	Confident	92.7	Very high	60 Å²	60	48 Å²	48	62%	0.619	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	62.3	-128	176.6	0	0	0	0	0	111.8	N189 T190	G187-N189 PolarHBondContact O-N 3.48Å; G187-T190 PolarHBondContact N-OG1 3.45Å; G187-T190 VanDerWaalsContact N-OG1 3.12Å; G187-T190 WeakPolarHBondContact O-CB 3.39Å; G187-T190 PolarHBondContact O-N 3.22Å; G187-T190 PolarHBondContact O-OG1 2.72Å
188	S	80.2	Confident	92.8	Very high	112 Å²	112	48 Å²	48	78%	0.783	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-63.1	-25.2	174	55.1	0	0	0	0	113	K186 T190	K186-S188 PolarHBondContact O-N 3.14Å; S188-T190 VanDerWaalsContact C-N 3.34Å; S188-T190 PolarHBondContact O-N 3.14Å
189	N	83.8	Confident	92.8	Very high	115 Å²	115	49.3 Å²	49.3	62%	0.615	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-98	22.8	-176.2	-60.9	0.2	0	0	0	111.9	Q185 K186 G187 G191	Q185-N189 VanDerWaalsContact CA-O 3.24Å; Q185-N189 WeakPolarHBondContact CA-O 3.47Å; K186-N189 PolarHBondContact O-N 2.97Å; G187-N189 PolarHBondContact O-N 3.48Å; N189-G191 PolarHBondContact O-N 3.21Å
190	T	83.5	Confident	92.9	Very high	19 Å²	19	49.9 Å²	49.9	12%	0.117	29%	0.29	C	S	.	.			trans	-61.5	-43.4	-171.7	-67.1	0	0	0	0	112.8	R181 Q185 G187 S188	R181-T190 VanDerWaalsContact CD-O 3.3Å; R181-T190 WeakPolarHBondContact CD-O 3.38Å; R181-T190 PolarHBondContact NE-O 3.11Å; Q185-T190 WeakPolarHBondContact CB-O 3.38Å; G187-T190 PolarHBondContact N-OG1 3.45Å; G187-T190 VanDerWaalsContact N-OG1 3.12Å; G187-T190 WeakPolarHBondContact O-CB 3.39Å; G187-T190 PolarHBondContact O-N 3.22Å; G187-T190 PolarHBondContact O-OG1 2.72Å; S188-T190 VanDerWaalsContact C-N 3.34Å; S188-T190 PolarHBondContact O-N 3.14Å
191	G	88.4	Confident	93	Very high	37 Å²	37	50 Å²	50	38%	0.381	29%	0.29	S	S	.	.			trans	51.4	-165.9	179.8	0	0	0	0	0	115.3	R181 N189	R181-G191 PolarHBondContact NE-O 2.9Å; R181-G191 VanDerWaalsContact NE-O 3.09Å; R181-G191 PolarHBondContact NH2-O 3.23Å; N189-G191 PolarHBondContact O-N 3.21Å
192	T	91.8	Very high	93	Very high	78 Å²	78	50.1 Å²	50.1	48%	0.479	29%	0.292	S	S	.	.			trans	-88.4	138.4	-179.8	-58.1	0	0	0	0	111.2	Q185	Q185-T192 PolarHBondContact NE2-O 2.79Å
193	A	95	Very high	93.1	Very high	5 Å²	5	59.3 Å²	59.3	4%	0.041	33%	0.331	C	S	.	.			trans	-73.4	130.4	171.4	0	0	0	0	0	110	G180 R181 W195 N214	G180-A193 CarbonylContact O-C 3.56Å; G180-A193 WeakPolarHBondContact O-CA 3.45Å; R181-A193 HydrophobicContact CG-CB 3.97Å; A193-W195 PolarHBondContact O-N 2.98Å; A193-W195 VanDerWaalsContact O-N 3.16Å; A193-N214 WeakPolarHBondContact CB-OD1 3.43Å; A193-N214 PolarHBondContact N-OD1 3.3Å
194	S	97.5	Very high	93.3	Very high	33 Å²	33	58.5 Å²	58.5	23%	0.231	33%	0.333	C	S	.	.			trans	-76	99.1	176.5	177.3	0	0	0	0	110.6	G180 E196 K197 I198	G180-S194 PolarHBondContact O-N 2.88Å; S194-E196 PolarHBondContact O-N 3.48Å; S194-K197 PolarHBondContact O-N 3.04Å; S194-K197 WeakPolarHBondContact OG-CG 3.46Å; S194-K197 PolarHBondContact OG-N 3.41Å; S194-I198 PolarHBondContact O-N 2.95Å
195	W	97.9	Very high	93.5	Very high	44 Å²	44	54.4 Å²	54.4	17%	0.167	31%	0.314	C	S	.	.	H	α-helix	trans	-65.8	-27.7	169.1	-72.4	-7.6	0	0	0	112.3	A193 K197 I198 A199 G213 N214 I215 R223 C224 A227 T228	A193-W195 PolarHBondContact O-N 2.98Å; A193-W195 VanDerWaalsContact O-N 3.16Å; W195-K197 PolarHBondContact O-N 2.97Å; W195-I198 PolarHBondContact O-N 3.48Å; W195-I198 VanDerWaalsContact O-N 3.15Å; W195-A199 WeakPolarHBondContact O-CB 3.23Å; W195-A199 PolarHBondContact O-N 3.13Å; W195-G213 PolarHBondContact NE1-O 3.29Å; W195-G213 VanDerWaalsContact NE1-O 3.15Å; W195-N214 HydrophobicContact CZ2-CB 4.09Å; W195-I215 HydrophobicContact CZ2-CD1 4.09Å; W195-R223 HydrophobicContact CH2-CB 4.1Å; W195-R223 HydrophobicContact CZ3-CB 3.95Å; W195-R223 WeakPolarHBondContact CZ3-O 3.43Å; W195-C224 HydrophobicContact CD2-CB 4.42Å; W195-C224 HydrophobicContact CH2-CB 3.74Å; W195-C224 HydrophobicContact CZ2-CB 3.59Å; W195-C224 HydrophobicContact CZ3-CB 4.24Å; W195-A227 HydrophobicContact CB-CB 4.25Å; W195-A227 HydrophobicContact CD2-CB 4.4Å; W195-A227 HydrophobicContact CE3-CB 3.62Å; W195-A227 HydrophobicContact CZ3-CB 4.35Å; W195-T228 HydrophobicContact CB-CG2 3.57Å; W195-T228 HydrophobicContact CD2-CG2 4.47Å; W195-T228 HydrophobicContact CG-CG2 3.82Å
196	E	98.1	Very high	93.8	Very high	152 Å²	152	63.2 Å²	63.2	71%	0.71	35%	0.346	S	S	*	.	H	α-helix	trans	-57.5	-46.2	172.5	-175.4	-171.9	172.3	0	0	112.3	S194 I198 A199 A200	S194-E196 PolarHBondContact O-N 3.48Å; E196-I198 VanDerWaalsContact C-N 3.3Å; E196-I198 PolarHBondContact O-N 3.46Å; E196-A199 WeakPolarHBondContact O-CB 3.22Å; E196-A199 PolarHBondContact O-N 3.32Å; E196-A200 PolarHBondContact O-N 3.31Å
197	K	98.6	Very high	94.2	Very high	33 Å²	33	60.7 Å²	60.7	14%	0.143	34%	0.336	C	S	.	.	H	α-helix	trans	-65.1	-35	176.5	-71.9	175.2	-178	-178.6	0	112.1	V154 F155 D156 V158 S194 W195 A200 V201	V154-K197 HydrophobicContact CB-CB 4.41Å; V154-K197 HydrophobicContact CB-CD 3.95Å; V154-K197 HydrophobicContact CG1-CB 3.99Å; V154-K197 HydrophobicContact CG1-CD 4.43Å; V154-K197 HydrophobicContact CG2-CD 3.71Å; F155-K197 WeakPolarHBondContact O-CE 3.38Å; F155-K197 PolarHBondContact O-NZ 2.98Å; D156-K197 VanDerWaalsContact O-CE 3.26Å; D156-K197 WeakPolarHBondContact O-CE 3.15Å; D156-K197 PolarHBondContact O-NZ 3.46Å; V158-K197 HydrophobicContact CB-CG 4.44Å; V158-K197 HydrophobicContact CG2-CG 4.24Å; S194-K197 PolarHBondContact O-N 3.04Å; S194-K197 WeakPolarHBondContact OG-CG 3.46Å; S194-K197 PolarHBondContact OG-N 3.41Å; W195-K197 PolarHBondContact O-N 2.97Å; K197-A200 PolarHBondContact O-N 3.28Å; K197-V201 WeakPolarHBondContact O-CG2 3.34Å; K197-V201 PolarHBondContact O-N 3.29Å
198	I	98.5	Very high	94.8	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-67.3	-42.6	175.3	-58.8	175.3	0	0	0	110.2	V178 S194 W195 E196 A200 V201 K202 V209 S211 T228	V178-I198 HydrophobicContact CB-CG1 4.16Å; V178-I198 HydrophobicContact CB-CG2 4.47Å; V178-I198 HydrophobicContact CG1-CG1 3.86Å; V178-I198 WeakPolarHBondContact O-CD1 3.37Å; S194-I198 PolarHBondContact O-N 2.95Å; W195-I198 PolarHBondContact O-N 3.48Å; W195-I198 VanDerWaalsContact O-N 3.15Å; E196-I198 VanDerWaalsContact C-N 3.3Å; E196-I198 PolarHBondContact O-N 3.46Å; I198-A200 VanDerWaalsContact C-N 3.35Å; I198-A200 PolarHBondContact O-N 2.78Å; I198-V201 PolarHBondContact O-N 2.78Å; I198-K202 PolarHBondContact O-N 2.93Å; I198-V209 HydrophobicContact CG2-CG1 4.38Å; I198-S211 VanDerWaalsContact CD1-OG 3.23Å; I198-S211 WeakPolarHBondContact CD1-OG 3.31Å; I198-T228 HydrophobicContact CB-CG2 4.04Å; I198-T228 HydrophobicContact CG2-CG2 4.03Å
199	A	98.7	Very high	95.6	Very high	28 Å²	28	53.6 Å²	53.6	23%	0.231	28%	0.276	C	S	.	.	H	α-helix	trans	-60.3	-43.6	175.4	0	0	0	0	0	111.8	W195 E196 V201 K202 K203	W195-A199 WeakPolarHBondContact O-CB 3.23Å; W195-A199 PolarHBondContact O-N 3.13Å; E196-A199 WeakPolarHBondContact O-CB 3.22Å; E196-A199 PolarHBondContact O-N 3.32Å; A199-V201 VanDerWaalsContact C-N 3.34Å; A199-V201 PolarHBondContact O-N 2.95Å; A199-K202 PolarHBondContact O-N 3.25Å; A199-K203 WeakPolarHBondContact O-CB 3.43Å; A199-K203 PolarHBondContact O-N 3.05Å
200	A	98.8	Very high	96.2	Very high	29 Å²	29	48.1 Å²	48.1	24%	0.24	25%	0.247	C	C	.	.	H	α-helix	trans	-60.3	-43	175.4	0	0	0	0	0	111.7	V158 V162 E196 K197 I198 S204	V158-A200 HydrophobicContact CG2-CB 3.6Å; V162-A200 HydrophobicContact CG2-CB 3.99Å; E196-A200 PolarHBondContact O-N 3.31Å; K197-A200 PolarHBondContact O-N 3.28Å; I198-A200 VanDerWaalsContact C-N 3.35Å; I198-A200 PolarHBondContact O-N 2.78Å; A200-S204 WeakPolarHBondContact O-CB 3.36Å; A200-S204 PolarHBondContact O-N 3.22Å; A200-S204 PolarHBondContact O-OG 3.47Å
201	V	98.8	Very high	96.8	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-62	-51.2	173.5	170	0	0	0	0	111	T161 A165 L176 V178 K197 I198 A199 K203 S204 V205 V209	T161-V201 HydrophobicContact CG2-CG2 3.72Å; A165-V201 HydrophobicContact CB-CB 4.39Å; A165-V201 HydrophobicContact CB-CG1 3.56Å; A165-V201 HydrophobicContact CB-CG2 4.05Å; L176-V201 HydrophobicContact CD2-CG1 3.77Å; V178-V201 HydrophobicContact CG2-CB 4.42Å; V178-V201 HydrophobicContact CG2-CG1 3.88Å; K197-V201 WeakPolarHBondContact O-CG2 3.34Å; K197-V201 PolarHBondContact O-N 3.29Å; I198-V201 PolarHBondContact O-N 2.78Å; A199-V201 VanDerWaalsContact C-N 3.34Å; A199-V201 PolarHBondContact O-N 2.95Å; V201-K203 PolarHBondContact O-N 2.89Å; V201-S204 WeakPolarHBondContact O-CA 3.26Å; V201-S204 PolarHBondContact O-N 2.89Å; V201-S204 PolarHBondContact O-OG 3.25Å; V201-V205 HydrophobicContact CG1-CG2 4.45Å; V201-V205 PolarHBondContact O-N 2.77Å; V201-V209 HydrophobicContact CG1-CG1 4.32Å; V201-V209 HydrophobicContact CG1-CG2 4.3Å
202	K	98.1	Very high	97.1	Very high	31 Å²	31	45.7 Å²	45.7	14%	0.135	22%	0.224	C	C	.	.	H	α-helix	trans	-57.6	-36.1	-178.6	176	60.8	-167	168.3	0	113.1	I198 A199 S204 V209 N229 D231	I198-K202 PolarHBondContact O-N 2.93Å; A199-K202 PolarHBondContact O-N 3.25Å; K202-S204 VanDerWaalsContact C-N 3.28Å; K202-S204 PolarHBondContact O-N 2.99Å; K202-V209 HydrophobicContact CB-CB 4.39Å; K202-V209 HydrophobicContact CD-CB 3.9Å; K202-V209 HydrophobicContact CD-CG2 4.04Å; K202-N229 WeakPolarHBondContact CE-O 3.18Å; K202-N229 HydrophobicContact CG-CB 4.45Å; K202-N229 WeakPolarHBondContact CG-O 3.19Å; K202-D231 WeakPolarHBondContact CE-OD1 3.27Å; K202-D231 VanDerWaalsContact CE-OD2 3.3Å; K202-D231 WeakPolarHBondContact CE-OD2 3.25Å; K202-D231 IonicContact NZ-OD1 2.63Å; K202-D231 PolarHBondContact NZ-OD1 3.05Å; K202-D231 IonicContact NZ-OD2 3.72Å; K202-D231 PolarHBondContact NZ-OD2 3.28Å
203	K	98.5	Very high	97.1	Very high	197 Å²	197	42.2 Å²	42.2	86%	0.857	20%	0.204	S	C	*	.	H	α-helix	trans	-69.7	-24.7	175	-173.6	175.7	178.6	180	0	113.2	A199 V201	A199-K203 WeakPolarHBondContact O-CB 3.43Å; A199-K203 PolarHBondContact O-N 3.05Å; V201-K203 PolarHBondContact O-N 2.89Å
204	S	98.6	Very high	96.9	Very high	31 Å²	31	43.6 Å²	43.6	22%	0.217	21%	0.211	C	C	.	.	H	α-helix	trans	-95.7	-17	-169.2	74.2	0	0	0	0	115.6	Q166 A200 V201 K202	Q166-S204 PolarHBondContact NE2-O 3.26Å; A200-S204 WeakPolarHBondContact O-CB 3.36Å; A200-S204 PolarHBondContact O-N 3.22Å; A200-S204 PolarHBondContact O-OG 3.47Å; V201-S204 WeakPolarHBondContact O-CA 3.26Å; V201-S204 PolarHBondContact O-N 2.89Å; V201-S204 PolarHBondContact O-OG 3.25Å; K202-S204 VanDerWaalsContact C-N 3.28Å; K202-S204 PolarHBondContact O-N 2.99Å
205	V	98.3	Very high	96.7	Very high	10 Å²	10	42.2 Å²	42.2	6%	0.061	20%	0.201	C	C	.	.			trans	-121.9	158.3	-179.1	-58.2	0	0	0	0	110.6	A165 Q166 E169 V201 I207 V209	A165-V205 HydrophobicContact CB-CG1 4.04Å; Q166-V205 HydrophobicContact CG-CG1 4.24Å; E169-V205 HydrophobicContact CB-CG1 4.35Å; V201-V205 HydrophobicContact CG1-CG2 4.45Å; V201-V205 PolarHBondContact O-N 2.77Å; V205-I207 HydrophobicContact CB-CG1 4.14Å; V205-I207 HydrophobicContact CG2-CG1 3.97Å; V205-V209 HydrophobicContact CG2-CG2 3.49Å; V205-V209 VanDerWaalsContact CG2-CG2 3.49Å
206	R	96.7	Very high	96.3	Very high	235 Å²	235	41.3 Å²	41.3	89%	0.887	20%	0.199	S	C	*	.	S	Bend	trans	-98.5	-25.7	178.8	-60.7	179.2	178.5	179.1	-1.1	112.7	E169	E169-R206 WeakPolarHBondContact OE1-CA 3.33Å; E169-R206 WeakPolarHBondContact OE1-CB 3.19Å; E169-R206 PolarHBondContact OE1-N 3.45Å
207	I	95.9	Very high	95.9	Very high	25 Å²	25	39.9 Å²	39.9	13%	0.128	19%	0.187	C	C	.	.	S	Bend	trans	-63.4	153.6	174	59.1	171.3	0	0	0	111.7	E169 C173 L176 V205	E169-I207 HydrophobicContact CB-CD1 3.94Å; E169-I207 HydrophobicContact CB-CG1 4.3Å; E169-I207 HydrophobicContact CG-CD1 4.26Å; E169-I207 HydrophobicContact CG-CG1 4.21Å; E169-I207 HydrophobicContact CG-CG2 3.97Å; E169-I207 PolarHBondContact OE1-N 2.72Å; C173-I207 HydrophobicContact CB-CD1 4.37Å; C173-I207 VanDerWaalsContact O-CD1 3.31Å; C173-I207 WeakPolarHBondContact O-CD1 3.5Å; L176-I207 HydrophobicContact CB-CD1 4.02Å; V205-I207 HydrophobicContact CB-CG1 4.14Å; V205-I207 HydrophobicContact CG2-CG1 3.97Å
208	P	96	Very high	95.5	Very high	23 Å²	23	41.3 Å²	41.3	15%	0.149	19%	0.193	C	C	.	.			trans	-57.5	138.8	172.8	-29.1	38.9	0	0	0	112.9	I16 V20 E174 L175 L176 D231	I16-P208 HydrophobicContact CG2-CB 4.36Å; I16-P208 HydrophobicContact CG2-CG 3.83Å; V20-P208 HydrophobicContact CG2-CB 3.82Å; V20-P208 HydrophobicContact CG2-CG 3.86Å; E174-P208 WeakPolarHBondContact O-CD 3.46Å; L175-P208 HydrophobicContact CD1-CB 4.36Å; L175-P208 HydrophobicContact CG-CB 4.39Å; L176-P208 PolarHBondContact N-O 3.2Å; P208-D231 VanDerWaalsContact CA-OD2 3.27Å; P208-D231 WeakPolarHBondContact CA-OD2 3.49Å; P208-D231 HydrophobicContact CB-CB 4.22Å
209	V	96.1	Very high	95.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	120.9	179.4	179.9	0	0	0	0	109.5	L176 V178 I198 V201 K202 V205 A230 D231	L176-V209 CarbonylContact O-C 3.59Å; L176-V209 VanDerWaalsContact O-CA 3.22Å; L176-V209 WeakPolarHBondContact O-CA 3.35Å; V178-V209 HydrophobicContact CG2-CG1 3.88Å; I198-V209 HydrophobicContact CG2-CG1 4.38Å; V201-V209 HydrophobicContact CG1-CG1 4.32Å; V201-V209 HydrophobicContact CG1-CG2 4.3Å; K202-V209 HydrophobicContact CB-CB 4.39Å; K202-V209 HydrophobicContact CD-CB 3.9Å; K202-V209 HydrophobicContact CD-CG2 4.04Å; V205-V209 HydrophobicContact CG2-CG2 3.49Å; V205-V209 VanDerWaalsContact CG2-CG2 3.49Å; V209-A230 WeakPolarHBondContact O-CB 3.41Å; V209-D231 PolarHBondContact N-OD2 3.24Å; V209-D231 PolarHBondContact O-N 3.46Å
210	F	96	Very high	94.8	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	131	172.1	-67.7	-12.5	0	0	0	111.2	V20 P29 V31 L50 L175 L176 T177 V178 D231 G232	V20-F210 HydrophobicContact CG2-CE1 4.43Å; P29-F210 HydrophobicContact CB-CZ 4.11Å; P29-F210 HydrophobicContact CG-CE1 3.6Å; P29-F210 HydrophobicContact CG-CZ 3.55Å; V31-F210 HydrophobicContact CB-CD2 4.42Å; V31-F210 HydrophobicContact CG2-CD2 3.46Å; V31-F210 VanDerWaalsContact CG2-CD2 3.46Å; V31-F210 HydrophobicContact CG2-CE2 3.26Å; V31-F210 HydrophobicContact CG2-CG 4.33Å; V31-F210 HydrophobicContact CG2-CZ 3.97Å; L50-F210 HydrophobicContact CD2-CE2 3.81Å; L175-F210 HydrophobicContact CD1-CD2 4.06Å; L175-F210 HydrophobicContact CD1-CE1 4.1Å; L175-F210 HydrophobicContact CD1-CE2 3.49Å; L175-F210 VanDerWaalsContact CD1-CE2 3.49Å; L175-F210 HydrophobicContact CD1-CZ 3.55Å; L175-F210 HydrophobicContact CD2-CD2 3.76Å; L175-F210 HydrophobicContact CD2-CE2 3.99Å; L175-F210 HydrophobicContact CD2-CG 4.28Å; L175-F210 HydrophobicContact CG-CD2 4.36Å; L175-F210 HydrophobicContact CG-CE2 4.27Å; L176-F210 PolarHBondContact O-N 3.46Å; T177-F210 WeakPolarHBondContact CA-O 3.48Å; T177-F210 HydrophobicContact CG2-CB 4.33Å; V178-F210 PolarHBondContact N-O 3.23Å; F210-D231 HydrophobicContact CE1-CB 4.46Å; F210-G232 WeakPolarHBondContact CA-O 2.98Å; F210-G232 VanDerWaalsContact CD1-CA 3.45Å
211	S	96	Very high	94.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	129.9	174.7	-179.4	0	0	0	0	110.6	I198 C224 G232 V233 M234	I198-S211 VanDerWaalsContact CD1-OG 3.23Å; I198-S211 WeakPolarHBondContact CD1-OG 3.31Å; S211-C224 WeakPolarHBondContact CB-SG 3.32Å; S211-C224 PolarHBondContact OG-SG 3.37Å; S211-G232 PolarHBondContact N-O 3.21Å; S211-V233 CarbonylContact O-C 3.6Å; S211-V233 WeakPolarHBondContact O-CA 3.27Å; S211-M234 PolarHBondContact O-N 2.72Å
212	N	95.2	Very high	94	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	139.4	173.3	-179.3	-126.1	0	0	0	111	K151 T177 V178 H179 G180 M234	K151-N212 PolarHBondContact NZ-OD1 2.87Å; T177-N212 HydrophobicContact CG2-CB 3.9Å; V178-N212 PolarHBondContact O-N 2.93Å; H179-N212 WeakPolarHBondContact CA-O 3.34Å; H179-N212 HydrophobicContact CB-CB 4.23Å; H179-N212 WeakPolarHBondContact CB-OD1 3.39Å; H179-N212 PolarHBondContact CD2-O 3.08Å; H179-N212 VanDerWaalsContact CD2-O 3.26Å; H179-N212 VanDerWaalsContact CG-OD1 3.25Å; G180-N212 PolarHBondContact N-O 2.82Å; G180-N212 VanDerWaalsContact N-O 3.11Å; N212-M234 HydrophobicContact CB-CB 4.11Å; N212-M234 PolarHBondContact ND2-O 2.92Å
213	G	92.3	Very high	93.9	Very high	6 Å²	6	51.1 Å²	51.1	6%	0.062	23%	0.234	C	C	.	.	S	Bend	trans	105.9	138.2	-178	0	0	0	0	0	112.5	W195 I215	W195-G213 PolarHBondContact NE1-O 3.29Å; W195-G213 VanDerWaalsContact NE1-O 3.15Å; G213-I215 VanDerWaalsContact C-N 3.29Å; G213-I215 PolarHBondContact O-N 3.3Å
214	N	91.4	Very high	93.7	Very high	34 Å²	34	41.7 Å²	41.7	18%	0.182	19%	0.194	C	C	.	.			trans	62.9	24.3	179.4	-67.4	76.3	0	0	0	115.8	R181 A193 W195	R181-N214 PolarHBondContact NH2-OD1 3.08Å; A193-N214 WeakPolarHBondContact CB-OD1 3.43Å; A193-N214 PolarHBondContact N-OD1 3.3Å; W195-N214 HydrophobicContact CZ2-CB 4.09Å
215	I	92	Very high	93.5	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	19%	0.188	C	C	.	.			trans	-98.2	84.6	166.9	-50.5	-61.9	0	0	0	108.7	W195 G213 D220 I221 C224 V233 S235 L245	W195-I215 HydrophobicContact CZ2-CD1 4.09Å; G213-I215 VanDerWaalsContact C-N 3.29Å; G213-I215 PolarHBondContact O-N 3.3Å; I215-D220 HydrophobicContact CD1-CB 4.36Å; I215-I221 HydrophobicContact CG2-CG1 3.94Å; I215-C224 HydrophobicContact CD1-CB 3.49Å; I215-C224 VanDerWaalsContact CD1-CB 3.49Å; I215-V233 HydrophobicContact CD1-CB 4.28Å; I215-V233 HydrophobicContact CD1-CG1 3.83Å; I215-V233 HydrophobicContact CG1-CB 4.14Å; I215-V233 HydrophobicContact CG1-CG1 4.21Å; I215-S235 PolarHBondContact O-OG 2.95Å; I215-L245 HydrophobicContact CG2-CD2 4.17Å
216	L	90.8	Very high	93.4	Very high	25 Å²	25	46.5 Å²	46.5	13%	0.131	22%	0.215	C	C	.	.			trans	-107.1	-23.1	-172.1	-61.3	-178.6	0	0	0	113.3	D220 L245 P337 F339	L216-D220 VanDerWaalsContact CA-OD2 3.31Å; L216-D220 WeakPolarHBondContact CA-OD2 3.36Å; L216-D220 WeakPolarHBondContact CB-OD2 3.46Å; L216-D220 PolarHBondContact N-OD2 3.31Å; L216-L245 WeakPolarHBondContact O-CD1 3.17Å; L216-P337 HydrophobicContact CB-CB 3.74Å; L216-P337 HydrophobicContact CB-CG 4.36Å; L216-F339 HydrophobicContact CB-CE1 4.46Å; L216-F339 HydrophobicContact CD1-CD1 3.85Å; L216-F339 HydrophobicContact CD1-CE1 4.04Å
217	R	89.2	Confident	93.5	Very high	122 Å²	122	37.6 Å²	37.6	46%	0.46	19%	0.192	S	C	.	.	S	Bend	trans	-145.7	165.8	175.8	64.6	-175.6	103.4	177.5	7.9	110.7	G219 D220	R217-G219 VanDerWaalsContact C-N 3.31Å; R217-G219 PolarHBondContact O-N 2.92Å; R217-D220 WeakPolarHBondContact CG-OD1 3.47Å; R217-D220 WeakPolarHBondContact CG-OD2 3.46Å; R217-D220 PolarHBondContact N-OD2 3.03Å; R217-D220 VanDerWaalsContact O-CB 3.27Å; R217-D220 WeakPolarHBondContact O-CB 3.46Å; R217-D220 PolarHBondContact O-N 2.97Å
218	F	89.4	Confident	93.5	Very high	63 Å²	63	36.6 Å²	36.6	28%	0.276	19%	0.187	S	C	.	.	H	α-helix	trans	-52.7	-45.2	-178.3	-173.6	-96.9	0	0	0	113.4	L26 D220 I221 L245 F246 N248	L26-F218 HydrophobicContact CD1-CE2 3.98Å; L26-F218 HydrophobicContact CD1-CZ 4.42Å; F218-D220 PolarHBondContact O-N 2.93Å; F218-D220 VanDerWaalsContact O-N 3.11Å; F218-I221 HydrophobicContact CD2-CD1 4.06Å; F218-I221 VanDerWaalsContact O-CB 3.3Å; F218-I221 WeakPolarHBondContact O-CB 3.34Å; F218-I221 VanDerWaalsContact O-CG1 3.32Å; F218-I221 WeakPolarHBondContact O-CG1 3.48Å; F218-I221 PolarHBondContact O-N 3.41Å; F218-L245 WeakPolarHBondContact CB-O 3.47Å; F218-L245 WeakPolarHBondContact CD2-O 3.27Å; F218-F246 WeakPolarHBondContact CE2-O 3.32Å; F218-N248 HydrophobicContact CB-CB 3.86Å; F218-N248 WeakPolarHBondContact CB-OD1 3.34Å; F218-N248 HydrophobicContact CD1-CB 3.51Å; F218-N248 VanDerWaalsContact CD1-CG 3.43Å; F218-N248 HydrophobicContact CD2-CB 3.69Å; F218-N248 VanDerWaalsContact CD2-N 3.33Å; F218-N248 HydrophobicContact CE1-CB 3.89Å; F218-N248 HydrophobicContact CE2-CB 4.04Å; F218-N248 HydrophobicContact CG-CB 3.4Å; F218-N248 HydrophobicContact CZ-CB 4.14Å
219	G	90.4	Very high	93.5	Very high	39 Å²	39	41.3 Å²	41.3	40%	0.402	21%	0.211	S	C	.	.	H	α-helix	trans	-63.6	-15.2	177.6	0	0	0	0	0	115.2	R217 I221 R223	R217-G219 VanDerWaalsContact C-N 3.31Å; R217-G219 PolarHBondContact O-N 2.92Å; G219-I221 VanDerWaalsContact C-N 3.27Å; G219-R223 WeakPolarHBondContact O-CG 3.49Å
220	D	92	Very high	93.4	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-73.5	-23.9	174.2	-59.8	-21.8	0	0	0	112	I215 L216 R217 F218 R223 C224	I215-D220 HydrophobicContact CD1-CB 4.36Å; L216-D220 VanDerWaalsContact CA-OD2 3.31Å; L216-D220 WeakPolarHBondContact CA-OD2 3.36Å; L216-D220 WeakPolarHBondContact CB-OD2 3.46Å; L216-D220 PolarHBondContact N-OD2 3.31Å; R217-D220 WeakPolarHBondContact CG-OD1 3.47Å; R217-D220 WeakPolarHBondContact CG-OD2 3.46Å; R217-D220 PolarHBondContact N-OD2 3.03Å; R217-D220 VanDerWaalsContact O-CB 3.27Å; R217-D220 WeakPolarHBondContact O-CB 3.46Å; R217-D220 PolarHBondContact O-N 2.97Å; F218-D220 PolarHBondContact O-N 2.93Å; F218-D220 VanDerWaalsContact O-N 3.11Å; D220-R223 IonicContact OD1-CZ 3Å; D220-R223 IonicContact OD1-NE 3.76Å; D220-R223 IonicContact OD1-NH2 3.01Å; D220-R223 PolarHBondContact OD1-NH2 3.18Å; D220-C224 VanDerWaalsContact O-CB 3.23Å; D220-C224 WeakPolarHBondContact O-CB 3.14Å; D220-C224 PolarHBondContact O-N 2.99Å
221	I	90.9	Very high	93.3	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-66.5	-53.4	-175.2	-57.3	167.8	0	0	0	110.1	L26 I215 F218 G219 R223 C224 F225 V233 L245 F246	L26-I221 HydrophobicContact CD2-CB 4.16Å; L26-I221 HydrophobicContact CD2-CD1 4.25Å; L26-I221 HydrophobicContact CD2-CG2 3.25Å; I215-I221 HydrophobicContact CG2-CG1 3.94Å; F218-I221 HydrophobicContact CD2-CD1 4.06Å; F218-I221 VanDerWaalsContact O-CB 3.3Å; F218-I221 WeakPolarHBondContact O-CB 3.34Å; F218-I221 VanDerWaalsContact O-CG1 3.32Å; F218-I221 WeakPolarHBondContact O-CG1 3.48Å; F218-I221 PolarHBondContact O-N 3.41Å; G219-I221 VanDerWaalsContact C-N 3.27Å; I221-R223 PolarHBondContact O-N 3.23Å; I221-C224 WeakPolarHBondContact O-CB 3.17Å; I221-C224 PolarHBondContact O-N 3.43Å; I221-C224 VanDerWaalsContact O-N 3.17Å; I221-F225 HydrophobicContact CG2-CD2 3.86Å; I221-F225 HydrophobicContact CG2-CE2 3.17Å; I221-F225 HydrophobicContact CG2-CZ 3.77Å; I221-F225 VanDerWaalsContact O-CD2 3.27Å; I221-F225 WeakPolarHBondContact O-CD2 3.39Å; I221-F225 PolarHBondContact O-N 3.15Å; I221-V233 HydrophobicContact CG1-CG2 4.34Å; I221-V233 HydrophobicContact CG2-CG1 4.39Å; I221-V233 HydrophobicContact CG2-CG2 3.78Å; I221-L245 HydrophobicContact CD1-CD2 3.98Å; I221-L245 HydrophobicContact CG1-CD2 4.44Å; I221-F246 HydrophobicContact CD1-CD1 3.74Å; I221-F246 HydrophobicContact CD1-CE1 4.2Å
222	Q	91.3	Very high	93.2	Very high	110 Å²	110	43.1 Å²	43.1	51%	0.514	22%	0.222	S	C	.	.	H	α-helix	trans	-61.7	-44.1	177.7	-171.8	59.7	51.8	0	0	111.4	C224 F225 D226	Q222-C224 VanDerWaalsContact C-N 3.25Å; Q222-C224 PolarHBondContact O-N 3.29Å; Q222-F225 PolarHBondContact O-N 3.12Å; Q222-F225 VanDerWaalsContact O-N 3.09Å; Q222-D226 PolarHBondContact NE2-OD1 3.09Å; Q222-D226 PolarHBondContact O-N 3.22Å
223	R	94.9	Very high	93.1	Very high	140 Å²	140	43 Å²	43	53%	0.528	22%	0.221	S	C	.	.	H	α-helix	trans	-58.8	-38.2	176.2	-67	-167.7	-60	157.7	0.1	112.4	W195 G219 D220 I221 A227	W195-R223 HydrophobicContact CH2-CB 4.1Å; W195-R223 HydrophobicContact CZ3-CB 3.95Å; W195-R223 WeakPolarHBondContact CZ3-O 3.43Å; G219-R223 WeakPolarHBondContact O-CG 3.49Å; D220-R223 IonicContact OD1-CZ 3Å; D220-R223 IonicContact OD1-NE 3.76Å; D220-R223 IonicContact OD1-NH2 3.01Å; D220-R223 PolarHBondContact OD1-NH2 3.18Å; I221-R223 PolarHBondContact O-N 3.23Å; R223-A227 WeakPolarHBondContact O-CB 3.38Å; R223-A227 PolarHBondContact O-N 2.86Å; R223-A227 VanDerWaalsContact O-N 3.09Å
224	C	95.3	Very high	93.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.5	-44.6	175.8	-178	0	0	0	0	111.1	W195 S211 I215 D220 I221 Q222 A227 T228 V233	W195-C224 HydrophobicContact CD2-CB 4.42Å; W195-C224 HydrophobicContact CH2-CB 3.74Å; W195-C224 HydrophobicContact CZ2-CB 3.59Å; W195-C224 HydrophobicContact CZ3-CB 4.24Å; S211-C224 WeakPolarHBondContact CB-SG 3.32Å; S211-C224 PolarHBondContact OG-SG 3.37Å; I215-C224 HydrophobicContact CD1-CB 3.49Å; I215-C224 VanDerWaalsContact CD1-CB 3.49Å; D220-C224 VanDerWaalsContact O-CB 3.23Å; D220-C224 WeakPolarHBondContact O-CB 3.14Å; D220-C224 PolarHBondContact O-N 2.99Å; I221-C224 WeakPolarHBondContact O-CB 3.17Å; I221-C224 PolarHBondContact O-N 3.43Å; I221-C224 VanDerWaalsContact O-N 3.17Å; Q222-C224 VanDerWaalsContact C-N 3.25Å; Q222-C224 PolarHBondContact O-N 3.29Å; C224-A227 PolarHBondContact O-N 2.88Å; C224-T228 VanDerWaalsContact O-CB 3.31Å; C224-T228 WeakPolarHBondContact O-CB 3.33Å; C224-T228 WeakPolarHBondContact O-CG2 3.33Å; C224-T228 PolarHBondContact O-N 3.13Å; C224-T228 PolarHBondContact O-OG1 3.18Å; C224-V233 HydrophobicContact CB-CG1 4.17Å
225	F	94.1	Very high	93.2	Very high	23 Å²	23	41.2 Å²	41.2	10%	0.101	21%	0.21	C	C	.	.	H	α-helix	trans	-62.6	-45.5	176.8	-65.3	-44.3	0	0	0	112	L26 V28 I221 Q222 A227 T228 N229 A230 V233	L26-F225 HydrophobicContact CD2-CE2 4.03Å; V28-F225 HydrophobicContact CB-CE1 4.4Å; V28-F225 HydrophobicContact CB-CE2 4.43Å; V28-F225 HydrophobicContact CB-CZ 4Å; V28-F225 HydrophobicContact CG2-CD2 3.97Å; V28-F225 HydrophobicContact CG2-CE1 3.82Å; V28-F225 HydrophobicContact CG2-CE2 3.14Å; V28-F225 HydrophobicContact CG2-CZ 3.09Å; I221-F225 HydrophobicContact CG2-CD2 3.86Å; I221-F225 HydrophobicContact CG2-CE2 3.17Å; I221-F225 HydrophobicContact CG2-CZ 3.77Å; I221-F225 VanDerWaalsContact O-CD2 3.27Å; I221-F225 WeakPolarHBondContact O-CD2 3.39Å; I221-F225 PolarHBondContact O-N 3.15Å; Q222-F225 PolarHBondContact O-N 3.12Å; Q222-F225 VanDerWaalsContact O-N 3.09Å; F225-A227 PolarHBondContact O-N 3.03Å; F225-T228 PolarHBondContact O-N 3.4Å; F225-N229 WeakPolarHBondContact O-CA 3.32Å; F225-N229 PolarHBondContact O-N 2.95Å; F225-A230 WeakPolarHBondContact CD1-O 3.44Å; F225-V233 HydrophobicContact CD1-CG1 4.39Å; F225-V233 HydrophobicContact CE1-CG1 3.65Å; F225-V233 HydrophobicContact CZ-CB 4.36Å; F225-V233 HydrophobicContact CZ-CG1 3.69Å; F225-V233 HydrophobicContact CZ-CG2 4.03Å
226	D	96	Very high	93	Very high	118 Å²	118	42 Å²	42	63%	0.631	22%	0.218	S	C	*	.	H	α-helix	trans	-58.1	-37.9	177.4	-60.4	-21	0	0	0	111.7	Q222	Q222-D226 PolarHBondContact NE2-OD1 3.09Å; Q222-D226 PolarHBondContact O-N 3.22Å
227	A	97.6	Very high	92.9	Very high	49 Å²	49	45 Å²	45	41%	0.405	23%	0.231	S	C	.	.	H	α-helix	trans	-83.9	-28.4	-178.2	0	0	0	0	0	114.6	W195 R223 C224 F225	W195-A227 HydrophobicContact CB-CB 4.25Å; W195-A227 HydrophobicContact CD2-CB 4.4Å; W195-A227 HydrophobicContact CE3-CB 3.62Å; W195-A227 HydrophobicContact CZ3-CB 4.35Å; R223-A227 WeakPolarHBondContact O-CB 3.38Å; R223-A227 PolarHBondContact O-N 2.86Å; R223-A227 VanDerWaalsContact O-N 3.09Å; C224-A227 PolarHBondContact O-N 2.88Å; F225-A227 PolarHBondContact O-N 3.03Å
228	T	97.1	Very high	93	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.018	21%	0.209	C	C	.	.	H	α-helix	trans	-114.9	-22.7	-168.9	63.8	0	0	0	0	114.5	W195 I198 C224 F225 A230	W195-T228 HydrophobicContact CB-CG2 3.57Å; W195-T228 HydrophobicContact CD2-CG2 4.47Å; W195-T228 HydrophobicContact CG-CG2 3.82Å; I198-T228 HydrophobicContact CB-CG2 4.04Å; I198-T228 HydrophobicContact CG2-CG2 4.03Å; C224-T228 VanDerWaalsContact O-CB 3.31Å; C224-T228 WeakPolarHBondContact O-CB 3.33Å; C224-T228 WeakPolarHBondContact O-CG2 3.33Å; C224-T228 PolarHBondContact O-N 3.13Å; C224-T228 PolarHBondContact O-OG1 3.18Å; F225-T228 PolarHBondContact O-N 3.4Å; T228-A230 PolarHBondContact O-N 3.37Å; T228-A230 VanDerWaalsContact O-N 3.14Å; T228-A230 WeakPolarHBondContact OG1-CB 3.44Å; T228-A230 PolarHBondContact OG1-N 3.38Å; T228-A230 VanDerWaalsContact OG1-N 3.14Å
229	N	95.2	Very high	93.1	Very high	122 Å²	122	36.2 Å²	36.2	65%	0.652	20%	0.196	S	C	*	.			trans	52.1	24.6	-165.5	-162.7	56.6	0	0	0	113.3	K202 F225	K202-N229 WeakPolarHBondContact CE-O 3.18Å; K202-N229 HydrophobicContact CG-CB 4.45Å; K202-N229 WeakPolarHBondContact CG-O 3.19Å; F225-N229 WeakPolarHBondContact O-CA 3.32Å; F225-N229 PolarHBondContact O-N 2.95Å
230	A	95	Very high	93.2	Very high	6 Å²	6	36 Å²	36	5%	0.05	19%	0.186	C	C	.	.			trans	-62.8	150.5	179	0	0	0	0	0	111.1	V209 F225 T228 G232	V209-A230 WeakPolarHBondContact O-CB 3.41Å; F225-A230 WeakPolarHBondContact CD1-O 3.44Å; T228-A230 PolarHBondContact O-N 3.37Å; T228-A230 VanDerWaalsContact O-N 3.14Å; T228-A230 WeakPolarHBondContact OG1-CB 3.44Å; T228-A230 PolarHBondContact OG1-N 3.38Å; T228-A230 VanDerWaalsContact OG1-N 3.14Å; A230-G232 PolarHBondContact O-N 3.02Å
231	D	94	Very high	93.2	Very high	33 Å²	33	35.9 Å²	35.9	18%	0.176	19%	0.185	C	C	.	.	S	Bend	trans	-83.1	-1.5	-179.1	-45.5	-87.6	0	0	0	112.6	V20 V28 P29 K202 P208 V209 F210	V20-D231 HydrophobicContact CG1-CB 3.92Å; V20-D231 HydrophobicContact CG2-CB 4.47Å; V28-D231 WeakPolarHBondContact CG1-O 2.89Å; P29-D231 WeakPolarHBondContact CD-O 3.46Å; P29-D231 WeakPolarHBondContact CG-O 3.09Å; K202-D231 WeakPolarHBondContact CE-OD1 3.27Å; K202-D231 VanDerWaalsContact CE-OD2 3.3Å; K202-D231 WeakPolarHBondContact CE-OD2 3.25Å; K202-D231 IonicContact NZ-OD1 2.63Å; K202-D231 PolarHBondContact NZ-OD1 3.05Å; K202-D231 IonicContact NZ-OD2 3.72Å; K202-D231 PolarHBondContact NZ-OD2 3.28Å; P208-D231 VanDerWaalsContact CA-OD2 3.27Å; P208-D231 WeakPolarHBondContact CA-OD2 3.49Å; P208-D231 HydrophobicContact CB-CB 4.22Å; V209-D231 PolarHBondContact N-OD2 3.24Å; V209-D231 PolarHBondContact O-N 3.46Å; F210-D231 HydrophobicContact CE1-CB 4.46Å
232	G	92.9	Very high	93.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.9	167.6	179.8	0	0	0	0	0	111.5	P29 F210 S211 A230	P29-G232 WeakPolarHBondContact O-CA 3.3Å; F210-G232 WeakPolarHBondContact CA-O 2.98Å; F210-G232 VanDerWaalsContact CD1-CA 3.45Å; S211-G232 PolarHBondContact N-O 3.21Å; A230-G232 PolarHBondContact O-N 3.02Å
233	V	93.5	Very high	93.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	137.7	179	-73.8	0	0	0	0	110.7	P29 T30 V31 S211 I215 I221 C224 F225 F246	P29-V233 PolarHBondContact O-N 3.15Å; T30-V233 HydrophobicContact CG2-CG2 4.19Å; V31-V233 WeakPolarHBondContact CA-O 3.48Å; V31-V233 WeakPolarHBondContact CB-O 3.4Å; V31-V233 PolarHBondContact N-O 3.15Å; S211-V233 CarbonylContact O-C 3.6Å; S211-V233 WeakPolarHBondContact O-CA 3.27Å; I215-V233 HydrophobicContact CD1-CB 4.28Å; I215-V233 HydrophobicContact CD1-CG1 3.83Å; I215-V233 HydrophobicContact CG1-CB 4.14Å; I215-V233 HydrophobicContact CG1-CG1 4.21Å; I221-V233 HydrophobicContact CG1-CG2 4.34Å; I221-V233 HydrophobicContact CG2-CG1 4.39Å; I221-V233 HydrophobicContact CG2-CG2 3.78Å; C224-V233 HydrophobicContact CB-CG1 4.17Å; F225-V233 HydrophobicContact CD1-CG1 4.39Å; F225-V233 HydrophobicContact CE1-CG1 3.65Å; F225-V233 HydrophobicContact CZ-CB 4.36Å; F225-V233 HydrophobicContact CZ-CG1 3.69Å; F225-V233 HydrophobicContact CZ-CG2 4.03Å; V233-F246 HydrophobicContact CG2-CE1 4.48Å
234	M	93.7	Very high	93.3	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	116.8	170.4	-178.8	-175.3	-78.2	0	0	110.1	V31 I33 Y52 K151 T177 S211 N212	V31-M234 HydrophobicContact CB-CB 4.05Å; V31-M234 HydrophobicContact CB-CG 4.31Å; V31-M234 HydrophobicContact CG1-CB 4.31Å; V31-M234 HydrophobicContact CG1-CE 3.64Å; V31-M234 HydrophobicContact CG1-CG 4.12Å; V31-M234 CarbonylContact O-C 2.94Å; V31-M234 VanDerWaalsContact O-CA 3.27Å; V31-M234 WeakPolarHBondContact O-CA 3.42Å; I33-M234 HydrophobicContact CD1-CG 4.19Å; I33-M234 HydrophobicContact CD1-SD 3.7Å; I33-M234 HydrophobicContact CG1-CG 3.53Å; I33-M234 HydrophobicContact CG1-SD 3.53Å; I33-M234 VanDerWaalsContact CG1-SD 3.53Å; Y52-M234 HydrophobicContact CD1-CE 4.26Å; Y52-M234 HydrophobicContact CD2-CE 3.69Å; Y52-M234 HydrophobicContact CE1-CE 3.99Å; Y52-M234 HydrophobicContact CE2-CE 3.41Å; Y52-M234 VanDerWaalsContact CE2-CE 3.41Å; Y52-M234 HydrophobicContact CG-CE 4.12Å; K151-M234 HydrophobicContact CD-SD 4.07Å; K151-M234 WeakPolarHBondContact CE-SD 3.37Å; T177-M234 HydrophobicContact CG2-CB 4.23Å; T177-M234 HydrophobicContact CG2-CE 3.74Å; T177-M234 HydrophobicContact CG2-SD 3.67Å; S211-M234 PolarHBondContact O-N 2.72Å; N212-M234 HydrophobicContact CB-CB 4.11Å; N212-M234 PolarHBondContact ND2-O 2.92Å
235	S	92.5	Very high	93	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.007	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	139.3	173.6	-169.7	0	0	0	0	112.1	V31 I33 I215 N239	V31-S235 PolarHBondContact O-N 2.8Å; I33-S235 PolarHBondContact N-O 3.42Å; I33-S235 VanDerWaalsContact N-O 3.14Å; I215-S235 PolarHBondContact O-OG 2.95Å; S235-N239 PolarHBondContact OG-N 2.67Å
236	A	87.8	Confident	92.8	Very high	22 Å²	22	24.2 Å²	24.2	18%	0.182	14%	0.137	C	C	.	.	S	Bend	trans	-118.9	-93.2	179.8	0	0	0	0	0	109.8	I33 G238 N239 L240	I33-A236 HydrophobicContact CB-CB 3.9Å; I33-A236 HydrophobicContact CD1-CB 3.47Å; I33-A236 VanDerWaalsContact CD1-CB 3.47Å; I33-A236 HydrophobicContact CG1-CB 3.56Å; I33-A236 HydrophobicContact CG2-CB 4.2Å; A236-G238 PolarHBondContact O-N 3.34Å; A236-N239 PolarHBondContact O-N 2.92Å; A236-N239 VanDerWaalsContact O-N 3.08Å; A236-L240 PolarHBondContact O-N 2.81Å
237	E	88.1	Confident	92.4	Very high	87 Å²	87	21.8 Å²	21.8	41%	0.407	12%	0.122	S	C	.	.	H	α-helix	trans	-53.2	-39.3	179.1	-63.5	-65.6	150.9	0	0	113.2	L240 C241 K280	E237-L240 PolarHBondContact O-N 3.49Å; E237-C241 WeakPolarHBondContact O-CB 3.47Å; E237-C241 PolarHBondContact O-N 2.83Å; E237-C241 VanDerWaalsContact O-N 3.08Å; E237-C241 PolarHBondContact O-SG 3.49Å; E237-K280 WeakPolarHBondContact OE2-CE 3.46Å; E237-K280 IonicContact OE2-NZ 3.64Å; E237-K280 PolarHBondContact OE2-NZ 2.74Å
238	G	90.3	Very high	92	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-59.5	-50.1	176.4	0	0	0	0	0	112.1	A236 C241 N242	A236-G238 PolarHBondContact O-N 3.34Å; G238-C241 PolarHBondContact O-N 2.89Å; G238-N242 PolarHBondContact O-N 3.32Å
239	N	91.8	Very high	91.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.9	-41.2	177.2	-179.6	-79.1	0	0	0	112.7	F32 W39 C43 S235 A236 C241 N242 P243	F32-N239 HydrophobicContact CD2-CB 3.78Å; F32-N239 WeakPolarHBondContact CD2-OD1 3.31Å; F32-N239 HydrophobicContact CE2-CB 4Å; F32-N239 VanDerWaalsContact CE2-CG 3.49Å; F32-N239 WeakPolarHBondContact CE2-OD1 3.4Å; W39-N239 PolarHBondContact NE1-OD1 3.45Å; C43-N239 PolarHBondContact SG-ND2 3.09Å; C43-N239 VanDerWaalsContact SG-ND2 3.43Å; C43-N239 PolarHBondContact SG-OD1 2.86Å; S235-N239 PolarHBondContact OG-N 2.67Å; A236-N239 PolarHBondContact O-N 2.92Å; A236-N239 VanDerWaalsContact O-N 3.08Å; N239-C241 PolarHBondContact O-N 3.49Å; N239-N242 WeakPolarHBondContact CA-O 3.34Å; N239-N242 CarbonylContact O-C 3.43Å; N239-N242 PolarHBondContact O-N 3.12Å; N239-P243 WeakPolarHBondContact O-CA 2.93Å
240	L	92.1	Very high	91.5	Very high	34 Å²	34	27.4 Å²	27.4	18%	0.178	14%	0.136	C	C	.	.	H	α-helix	trans	-63	-27.8	177.6	-64.6	175.1	0	0	0	112.9	F32 W39 A236 E237 K280	F32-L240 HydrophobicContact CE2-CD2 4.45Å; F32-L240 HydrophobicContact CZ-CD2 4.46Å; W39-L240 HydrophobicContact CZ2-CD2 4.1Å; A236-L240 PolarHBondContact O-N 2.81Å; E237-L240 PolarHBondContact O-N 3.49Å; L240-K280 HydrophobicContact CB-CB 4.47Å; L240-K280 HydrophobicContact CB-CG 3.51Å; L240-K280 WeakPolarHBondContact O-CG 3.4Å
241	C	92.7	Very high	91.5	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.014	14%	0.136	C	C	.	.	H	α-helix	trans	-84	-27.4	172.8	-74.3	0	0	0	0	113	E237 G238 N239 K280 C335 Q336	E237-C241 WeakPolarHBondContact O-CB 3.47Å; E237-C241 PolarHBondContact O-N 2.83Å; E237-C241 VanDerWaalsContact O-N 3.08Å; E237-C241 PolarHBondContact O-SG 3.49Å; G238-C241 PolarHBondContact O-N 2.89Å; N239-C241 PolarHBondContact O-N 3.49Å; C241-K280 WeakPolarHBondContact SG-CE 3.37Å; C241-C335 PolarHBondContact O-SG 3.15Å; C241-C335 VanDerWaalsContact O-SG 3.41Å; C241-Q336 WeakPolarHBondContact CB-O 3.47Å
242	N	93.6	Very high	91.6	Very high	12 Å²	12	26.7 Å²	26.7	6%	0.064	13%	0.133	C	C	.	.			trans	-152.3	97.9	178.7	-176.2	8.7	0	0	0	110.9	G238 N239 Y244 L245 R249 C335	G238-N242 PolarHBondContact O-N 3.32Å; N239-N242 WeakPolarHBondContact CA-O 3.34Å; N239-N242 CarbonylContact O-C 3.43Å; N239-N242 PolarHBondContact O-N 3.12Å; N242-Y244 PolarHBondContact O-N 2.84Å; N242-Y244 VanDerWaalsContact O-N 3.13Å; N242-Y244 WeakPolarHBondContact OD1-CB 3.35Å; N242-Y244 PolarHBondContact OD1-N 3.38Å; N242-L245 VanDerWaalsContact O-CB 3.23Å; N242-L245 WeakPolarHBondContact O-CB 3.47Å; N242-L245 PolarHBondContact O-N 3.04Å; N242-L245 VanDerWaalsContact O-N 3.14Å; N242-R249 PolarHBondContact ND2-O 2.93Å; N242-C335 HydrophobicContact CB-CB 3.91Å
243	P	93.1	Very high	91.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-14.8	178.7	22.2	-29.5	0	0	0	112.5	W39 L42 H46 N239 L245 P256 L281	W39-P243 HydrophobicContact CH2-CG 4.21Å; W39-P243 HydrophobicContact CZ2-CB 4.08Å; W39-P243 HydrophobicContact CZ2-CG 4.24Å; L42-P243 HydrophobicContact CD2-CB 3.78Å; L42-P243 HydrophobicContact CD2-CG 3.63Å; L42-P243 HydrophobicContact CG-CB 4.02Å; L42-P243 HydrophobicContact CG-CG 4.22Å; H46-P243 WeakPolarHBondContact CB-O 3.24Å; N239-P243 WeakPolarHBondContact O-CA 2.93Å; P243-L245 PolarHBondContact O-N 3.46Å; P243-P256 HydrophobicContact CG-CB 3.51Å; P243-P256 HydrophobicContact CG-CG 4.41Å; P243-L281 VanDerWaalsContact CD-CD2 3.48Å; P243-L281 HydrophobicContact CG-CD2 4.19Å
244	Y	92.9	Very high	92	Very high	3 Å²	3	27.4 Å²	27.4	1%	0.012	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	12.5	179.3	-62.3	-151.8	0	0	0	111.7	H46 N242 F246 E247 R249 P251 E255 P256 E259	H46-Y244 HydrophobicContact CB-CD2 4.13Å; H46-Y244 HydrophobicContact CB-CG 4.45Å; H46-Y244 AromaticContact CD2-CD2 3.51Å; H46-Y244 AromaticContact CD2-CE2 3.29Å; H46-Y244 WeakPolarHBondContact CD2-CE2 3.39Å; H46-Y244 AromaticContact CE1-CD2 3.96Å; H46-Y244 AromaticContact CE1-CE1 3.76Å; H46-Y244 AromaticContact CE1-CE2 3.44Å; H46-Y244 VanDerWaalsContact CE1-CE2 3.44Å; H46-Y244 WeakPolarHBondContact CE1-CE2 3.08Å; H46-Y244 AromaticContact CE1-CZ 3.32Å; H46-Y244 AromaticContact CG-CD2 3.52Å; H46-Y244 AromaticContact CG-CE2 3.7Å; H46-Y244 AromaticContact ND1-CD2 3.81Å; H46-Y244 AromaticContact ND1-CE2 3.79Å; H46-Y244 AromaticContact ND1-CG 3.99Å; H46-Y244 AromaticContact ND1-CZ 3.9Å; H46-Y244 AromaticContact NE2-CD2 3.8Å; H46-Y244 AromaticContact NE2-CE2 3.12Å; H46-Y244 WeakPolarHBondContact NE2-CE2 3.37Å; H46-Y244 AromaticContact NE2-CZ 3.39Å; N242-Y244 PolarHBondContact O-N 2.84Å; N242-Y244 VanDerWaalsContact O-N 3.13Å; N242-Y244 WeakPolarHBondContact OD1-CB 3.35Å; N242-Y244 PolarHBondContact OD1-N 3.38Å; Y244-F246 PolarHBondContact O-N 2.89Å; Y244-F246 VanDerWaalsContact O-N 3.14Å; Y244-E247 PolarHBondContact O-N 2.94Å; Y244-R249 HydrophobicContact CD1-CB 4.21Å; Y244-R249 VanDerWaalsContact CE1-NH1 3.25Å; Y244-P251 HydrophobicContact CD1-CB 4.43Å; Y244-P251 HydrophobicContact CD1-CG 3.84Å; Y244-P251 HydrophobicContact CE1-CB 4.42Å; Y244-P251 HydrophobicContact CE1-CG 4.12Å; Y244-P251 HydrophobicContact CG-CG 4.05Å; Y244-E255 WeakPolarHBondContact CE1-OE1 3.29Å; Y244-P256 HydrophobicContact CD2-CB 4.28Å; Y244-P256 HydrophobicContact CE2-CB 3.73Å; Y244-E259 PolarHBondContact OH-OE2 3.5Å; Y244-E259 VanDerWaalsContact OH-OE2 3.11Å
245	L	89.7	Confident	92.2	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-52.6	-36.5	-177.7	178.2	153.9	0	0	0	112.6	I215 L216 F218 I221 N242 P243 E247	I215-L245 HydrophobicContact CG2-CD2 4.17Å; L216-L245 WeakPolarHBondContact O-CD1 3.17Å; F218-L245 WeakPolarHBondContact CB-O 3.47Å; F218-L245 WeakPolarHBondContact CD2-O 3.27Å; I221-L245 HydrophobicContact CD1-CD2 3.98Å; I221-L245 HydrophobicContact CG1-CD2 4.44Å; N242-L245 VanDerWaalsContact O-CB 3.23Å; N242-L245 WeakPolarHBondContact O-CB 3.47Å; N242-L245 PolarHBondContact O-N 3.04Å; N242-L245 VanDerWaalsContact O-N 3.14Å; P243-L245 PolarHBondContact O-N 3.46Å; L245-E247 VanDerWaalsContact C-N 3.32Å
246	F	88.2	Confident	92.4	Very high	11 Å²	11	30.4 Å²	30.4	5%	0.048	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-82.9	-5.6	-177.7	-55.1	-59.1	0	0	0	113.8	T30 A48 F218 I221 V233 Y244	T30-F246 HydrophobicContact CG2-CD1 3.5Å; T30-F246 HydrophobicContact CG2-CE1 3.78Å; T30-F246 HydrophobicContact CG2-CG 4.13Å; A48-F246 HydrophobicContact CB-CD2 4.17Å; A48-F246 HydrophobicContact CB-CE2 4.14Å; F218-F246 WeakPolarHBondContact CE2-O 3.32Å; I221-F246 HydrophobicContact CD1-CD1 3.74Å; I221-F246 HydrophobicContact CD1-CE1 4.2Å; V233-F246 HydrophobicContact CG2-CE1 4.48Å; Y244-F246 PolarHBondContact O-N 2.89Å; Y244-F246 VanDerWaalsContact O-N 3.14Å
247	E	88.8	Confident	92.9	Very high	68 Å²	68	29.3 Å²	29.3	32%	0.318	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-100.5	3.9	175	-61.8	-176.1	174.7	0	0	113.3	H46 Y244 L245 R249	H46-E247 VanDerWaalsContact CA-OE1 3.24Å; H46-E247 WeakPolarHBondContact CA-OE1 3.4Å; H46-E247 HydrophobicContact CB-CG 4.39Å; H46-E247 IonicContact CG-OE1 3.13Å; H46-E247 IonicContact ND1-OE1 2.89Å; H46-E247 PolarHBondContact ND1-OE1 2.88Å; H46-E247 IonicContact ND1-OE2 2.92Å; Y244-E247 PolarHBondContact O-N 2.94Å; L245-E247 VanDerWaalsContact C-N 3.32Å; E247-R249 HydrophobicContact CB-CB 4.42Å; E247-R249 HydrophobicContact CB-CG 4.21Å; E247-R249 PolarHBondContact O-N 3.14Å; E247-R249 WeakPolarHBondContact OE2-CD 3.4Å; E247-R249 IonicContact OE2-NH1 3.77Å; E247-R249 PolarHBondContact OE2-NH1 2.68Å
248	N	88.4	Confident	93.4	Very high	106 Å²	106	26.4 Å²	26.4	57%	0.567	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	31.2	-170.6	-161.8	27.8	0	0	0	113.8	F218	F218-N248 HydrophobicContact CB-CB 3.86Å; F218-N248 WeakPolarHBondContact CB-OD1 3.34Å; F218-N248 HydrophobicContact CD1-CB 3.51Å; F218-N248 VanDerWaalsContact CD1-CG 3.43Å; F218-N248 HydrophobicContact CD2-CB 3.69Å; F218-N248 VanDerWaalsContact CD2-N 3.33Å; F218-N248 HydrophobicContact CE1-CB 3.89Å; F218-N248 HydrophobicContact CE2-CB 4.04Å; F218-N248 HydrophobicContact CG-CB 3.4Å; F218-N248 HydrophobicContact CZ-CB 4.14Å
249	R	91	Very high	93.8	Very high	101 Å²	101	28.5 Å²	28.5	38%	0.381	14%	0.138	S	C	.	.			trans	-109.1	142.8	178.5	-71.9	179.9	64.4	-148.2	-3	111.1	N242 Y244 E247 E255	N242-R249 PolarHBondContact ND2-O 2.93Å; Y244-R249 HydrophobicContact CD1-CB 4.21Å; Y244-R249 VanDerWaalsContact CE1-NH1 3.25Å; E247-R249 HydrophobicContact CB-CB 4.42Å; E247-R249 HydrophobicContact CB-CG 4.21Å; E247-R249 PolarHBondContact O-N 3.14Å; E247-R249 WeakPolarHBondContact OE2-CD 3.4Å; E247-R249 IonicContact OE2-NH1 3.77Å; E247-R249 PolarHBondContact OE2-NH1 2.68Å; R249-E255 IonicContact CZ-OE1 2.93Å; R249-E255 IonicContact NH1-OE1 3.69Å; R249-E255 IonicContact NH2-OE1 3.77Å; R249-E255 PolarHBondContact NH2-OE1 3.29Å; R249-E255 IonicContact NH2-OE2 2.72Å
250	I	92.3	Very high	94.1	Very high	84 Å²	84	28.5 Å²	28.5	43%	0.431	14%	0.138	S	C	.	.			trans	-124.2	83.3	174.4	-52.9	-179.8	0	0	0	107.1	L330 Y334 C335	I250-L330 HydrophobicContact CD1-CD1 4.21Å; I250-L330 HydrophobicContact CG2-CD1 3.84Å; I250-Y334 VanDerWaalsContact O-CD1 3.3Å; I250-Y334 WeakPolarHBondContact O-CD1 3.24Å; I250-C335 HydrophobicContact CG2-CB 4.43Å; I250-C335 WeakPolarHBondContact CG2-O 3.28Å
251	P	94.2	Very high	94.4	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.032	13%	0.129	C	C	.	.			trans	-78.6	163.8	-177.5	33.2	-36.2	0	0	0	111.8	Y244 E255 P256 C335	Y244-P251 HydrophobicContact CD1-CB 4.43Å; Y244-P251 HydrophobicContact CD1-CG 3.84Å; Y244-P251 HydrophobicContact CE1-CB 4.42Å; Y244-P251 HydrophobicContact CE1-CG 4.12Å; Y244-P251 HydrophobicContact CG-CG 4.05Å; P251-E255 HydrophobicContact CB-CB 4.15Å; P251-E255 HydrophobicContact CB-CG 4.45Å; P251-E255 VanDerWaalsContact CB-OE2 3.31Å; P251-E255 WeakPolarHBondContact CB-OE2 3.36Å; P251-P256 HydrophobicContact CG-CG 4.24Å; P251-C335 WeakPolarHBondContact O-CB 3.35Å; P251-C335 PolarHBondContact O-N 3.12Å
252	P	95.6	Very high	94.6	Very high	20 Å²	20	30 Å²	30	13%	0.13	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-56.7	141.8	160.6	-21.6	33.6	0	0	0	111.3	W254 E255 P256 W333 Y334	P252-W254 HydrophobicContact CB-CD2 3.73Å; P252-W254 HydrophobicContact CB-CE3 4.24Å; P252-W254 HydrophobicContact CB-CG 4.29Å; P252-W254 HydrophobicContact CB-CH2 3.94Å; P252-W254 HydrophobicContact CB-CZ2 3.37Å; P252-W254 HydrophobicContact CB-CZ3 4.34Å; P252-W254 HydrophobicContact CG-CZ2 3.88Å; P252-W254 PolarHBondContact O-N 3.37Å; P252-E255 WeakPolarHBondContact O-CB 3.44Å; P252-E255 PolarHBondContact O-N 3.19Å; P252-P256 WeakPolarHBondContact O-CD 3.3Å; P252-W333 CarbonylContact C-O 3.38Å; P252-W333 VanDerWaalsContact CA-O 3.23Å; P252-W333 WeakPolarHBondContact CA-O 3.38Å; P252-Y334 HydrophobicContact CG-CD1 4.32Å; P252-Y334 HydrophobicContact CG-CE1 3.82Å
253	V	96.8	Very high	94.8	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.8	-172.4	-60.4	0	0	0	0	113.9	E255 A257 L281 F312 W333	V253-E255 VanDerWaalsContact C-N 3.3Å; V253-E255 PolarHBondContact O-N 3.37Å; V253-A257 WeakPolarHBondContact O-CB 3.09Å; V253-A257 PolarHBondContact O-N 3.47Å; V253-L281 VanDerWaalsContact CG1-O 3.29Å; V253-L281 WeakPolarHBondContact CG1-O 3.44Å; V253-F312 HydrophobicContact CG2-CD1 4.2Å; V253-F312 HydrophobicContact CG2-CE1 3.6Å; V253-W333 PolarHBondContact N-O 3.03Å
254	W	97.7	Very high	95	Very high	14 Å²	14	29.8 Å²	29.8	5%	0.053	15%	0.145	C	C	.	.	H	α-helix	trans	-69.5	-26	178.4	51.8	74.6	0	0	0	113	P252 L258 I309 F312 K313 F316 E317 W333	P252-W254 HydrophobicContact CB-CD2 3.73Å; P252-W254 HydrophobicContact CB-CE3 4.24Å; P252-W254 HydrophobicContact CB-CG 4.29Å; P252-W254 HydrophobicContact CB-CH2 3.94Å; P252-W254 HydrophobicContact CB-CZ2 3.37Å; P252-W254 HydrophobicContact CB-CZ3 4.34Å; P252-W254 HydrophobicContact CG-CZ2 3.88Å; P252-W254 PolarHBondContact O-N 3.37Å; W254-L258 HydrophobicContact CB-CD1 4.47Å; W254-L258 VanDerWaalsContact O-CB 3.25Å; W254-L258 WeakPolarHBondContact O-CB 3.18Å; W254-L258 WeakPolarHBondContact O-CG 3.47Å; W254-L258 PolarHBondContact O-N 3.35Å; W254-I309 HydrophobicContact CB-CG2 3.68Å; W254-F312 AromaticContact CE3-CD1 3.72Å; W254-F312 HydrophobicContact CE3-CD1 3.72Å; W254-F312 AromaticContact CE3-CE1 3.73Å; W254-F312 HydrophobicContact CE3-CE1 3.73Å; W254-F312 HydrophobicContact CZ3-CD1 4.17Å; W254-F312 AromaticContact CZ3-CE1 3.87Å; W254-F312 HydrophobicContact CZ3-CE1 3.87Å; W254-K313 HydrophobicContact CB-CB 3.97Å; W254-K313 HydrophobicContact CB-CG 4.47Å; W254-K313 HydrophobicContact CD2-CB 3.86Å; W254-K313 HydrophobicContact CD2-CG 3.9Å; W254-K313 HydrophobicContact CE3-CB 4.21Å; W254-K313 HydrophobicContact CG-CB 3.76Å; W254-K313 HydrophobicContact CG-CD 4.01Å; W254-K313 HydrophobicContact CG-CG 3.82Å; W254-F316 HydrophobicContact CH2-CB 3.86Å; W254-F316 HydrophobicContact CZ3-CB 3.69Å; W254-E317 HydrophobicContact CH2-CB 4.46Å; W254-E317 HydrophobicContact CZ2-CB 4.05Å; W254-W333 HydrophobicContact CE3-CB 4.49Å; W254-W333 HydrophobicContact CH2-CB 4.24Å; W254-W333 AromaticContact CH2-CD1 3.44Å; W254-W333 VanDerWaalsContact CH2-CD1 3.44Å; W254-W333 AromaticContact CH2-CG 3.98Å; W254-W333 HydrophobicContact CH2-CG 3.98Å; W254-W333 HydrophobicContact CZ3-CB 3.66Å; W254-W333 AromaticContact CZ3-CD1 3.79Å; W254-W333 AromaticContact CZ3-CG 3.9Å; W254-W333 HydrophobicContact CZ3-CG 3.9Å
255	E	97.9	Very high	95.2	Very high	65 Å²	65	37.2 Å²	37.2	30%	0.304	17%	0.173	S	C	.	.	H	α-helix	trans	-64.3	-61.8	179.7	-174.4	-176.4	156.5	0	0	111.2	Y244 R249 P251 P252 V253 A257 L258 E259	Y244-E255 WeakPolarHBondContact CE1-OE1 3.29Å; R249-E255 IonicContact CZ-OE1 2.93Å; R249-E255 IonicContact NH1-OE1 3.69Å; R249-E255 IonicContact NH2-OE1 3.77Å; R249-E255 PolarHBondContact NH2-OE1 3.29Å; R249-E255 IonicContact NH2-OE2 2.72Å; P251-E255 HydrophobicContact CB-CB 4.15Å; P251-E255 HydrophobicContact CB-CG 4.45Å; P251-E255 VanDerWaalsContact CB-OE2 3.31Å; P251-E255 WeakPolarHBondContact CB-OE2 3.36Å; P252-E255 WeakPolarHBondContact O-CB 3.44Å; P252-E255 PolarHBondContact O-N 3.19Å; V253-E255 VanDerWaalsContact C-N 3.3Å; V253-E255 PolarHBondContact O-N 3.37Å; E255-A257 VanDerWaalsContact C-N 3.27Å; E255-A257 PolarHBondContact O-N 3.15Å; E255-L258 PolarHBondContact O-N 3Å; E255-E259 PolarHBondContact O-N 2.84Å; E255-E259 VanDerWaalsContact O-N 3.1Å
256	P	97.4	Very high	95.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.8	-29	176	26.4	-34.1	0	0	0	112.7	P243 Y244 P251 P252 Y260 L281	P243-P256 HydrophobicContact CG-CB 3.51Å; P243-P256 HydrophobicContact CG-CG 4.41Å; Y244-P256 HydrophobicContact CD2-CB 4.28Å; Y244-P256 HydrophobicContact CE2-CB 3.73Å; P251-P256 HydrophobicContact CG-CG 4.24Å; P252-P256 WeakPolarHBondContact O-CD 3.3Å; P256-Y260 WeakPolarHBondContact O-CB 3.4Å; P256-Y260 PolarHBondContact O-N 2.94Å; P256-L281 HydrophobicContact CB-CD1 4.46Å; P256-L281 HydrophobicContact CB-CD2 4.19Å; P256-L281 HydrophobicContact CG-CD2 3.95Å
257	A	98.2	Very high	95.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.8	-45.2	177.8	0	0	0	0	0	112.4	V253 E255 L261 I278 L281 I309	V253-A257 WeakPolarHBondContact O-CB 3.09Å; V253-A257 PolarHBondContact O-N 3.47Å; E255-A257 VanDerWaalsContact C-N 3.27Å; E255-A257 PolarHBondContact O-N 3.15Å; A257-L261 WeakPolarHBondContact O-CD1 3.44Å; A257-L261 WeakPolarHBondContact O-CG 3.24Å; A257-L261 PolarHBondContact O-N 3.35Å; A257-I278 HydrophobicContact CB-CD1 3.69Å; A257-L281 HydrophobicContact CB-CD1 4.03Å; A257-I309 HydrophobicContact CB-CD1 4.19Å; A257-I309 HydrophobicContact CB-CG1 4.28Å; A257-I309 HydrophobicContact CB-CG2 4Å
258	L	98.6	Very high	96.1	Very high	26 Å²	26	45.9 Å²	45.9	14%	0.136	23%	0.229	C	C	.	.	H	α-helix	trans	-69.1	-40.8	177.8	-70.2	171.6	0	0	0	111	W254 E255 L261 D262 R306 I309 K313	W254-L258 HydrophobicContact CB-CD1 4.47Å; W254-L258 VanDerWaalsContact O-CB 3.25Å; W254-L258 WeakPolarHBondContact O-CB 3.18Å; W254-L258 WeakPolarHBondContact O-CG 3.47Å; W254-L258 PolarHBondContact O-N 3.35Å; E255-L258 PolarHBondContact O-N 3Å; L258-L261 PolarHBondContact O-N 3.44Å; L258-D262 PolarHBondContact O-N 2.91Å; L258-R306 HydrophobicContact CD2-CG 3.97Å; L258-R306 PolarHBondContact O-NH2 2.89Å; L258-I309 HydrophobicContact CD1-CG2 4.39Å; L258-I309 HydrophobicContact CD2-CB 4.21Å; L258-I309 HydrophobicContact CD2-CG2 3.8Å; L258-I309 HydrophobicContact CG-CG2 3.72Å; L258-K313 HydrophobicContact CD1-CD 4.23Å
259	E	98.4	Very high	96.3	Very high	44 Å²	44	42.5 Å²	42.5	21%	0.206	21%	0.213	C	C	.	.	H	α-helix	trans	-62	-46.5	175	-178.3	168.2	-179.4	0	0	111.8	L42 R45 H46 Y244 E255 L261 D262 I263	L42-E259 HydrophobicContact CD1-CB 4.13Å; L42-E259 HydrophobicContact CD1-CG 3.69Å; R45-E259 WeakPolarHBondContact CD-OE1 3.19Å; R45-E259 IonicContact CZ-OE1 3.43Å; R45-E259 IonicContact NE-OE1 3.77Å; R45-E259 IonicContact NH1-OE1 3.98Å; R45-E259 PolarHBondContact NH1-OE1 3.36Å; H46-E259 IonicContact CE1-OE2 3.73Å; H46-E259 IonicContact NE2-OE1 2.83Å; H46-E259 IonicContact NE2-OE2 3.33Å; H46-E259 PolarHBondContact NE2-OE2 3.42Å; H46-E259 VanDerWaalsContact NE2-OE2 3.13Å; Y244-E259 PolarHBondContact OH-OE2 3.5Å; Y244-E259 VanDerWaalsContact OH-OE2 3.11Å; E255-E259 PolarHBondContact O-N 2.84Å; E255-E259 VanDerWaalsContact O-N 3.1Å; E259-L261 PolarHBondContact O-N 2.96Å; E259-D262 WeakPolarHBondContact O-CB 3.35Å; E259-D262 PolarHBondContact O-N 3.04Å; E259-D262 VanDerWaalsContact O-N 3.08Å; E259-I263 HydrophobicContact CG-CD1 4.28Å; E259-I263 WeakPolarHBondContact O-CG1 3Å; E259-I263 PolarHBondContact O-N 3.05Å
260	Y	98	Very high	96.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-54	-44.5	173.6	174.2	-110.6	0	0	0	111.4	E36 P38 W39 L42 P256 D262 I263 V264 V274 H277 I278	E36-Y260 PolarHBondContact OE1-OH 3.33Å; P38-Y260 HydrophobicContact CB-CD2 4.24Å; P38-Y260 HydrophobicContact CB-CE2 3.63Å; W39-Y260 HydrophobicContact CB-CE2 3.99Å; W39-Y260 HydrophobicContact CD2-CE2 4.45Å; W39-Y260 AromaticContact CE3-CD2 3.57Å; W39-Y260 HydrophobicContact CE3-CD2 3.57Å; W39-Y260 AromaticContact CE3-CE2 3.63Å; W39-Y260 HydrophobicContact CE3-CE2 3.63Å; W39-Y260 HydrophobicContact CE3-CG 4.1Å; W39-Y260 HydrophobicContact CZ3-CD2 4.16Å; W39-Y260 HydrophobicContact CZ3-CG 4.25Å; L42-Y260 HydrophobicContact CD2-CD2 4.32Å; P256-Y260 WeakPolarHBondContact O-CB 3.4Å; P256-Y260 PolarHBondContact O-N 2.94Å; Y260-D262 VanDerWaalsContact C-N 3.34Å; Y260-D262 PolarHBondContact O-N 3.15Å; Y260-I263 PolarHBondContact O-N 2.91Å; Y260-I263 VanDerWaalsContact O-N 3.14Å; Y260-V264 HydrophobicContact CD1-CG2 4.06Å; Y260-V264 HydrophobicContact CD2-CG2 4.23Å; Y260-V264 HydrophobicContact CE1-CG2 3.6Å; Y260-V264 HydrophobicContact CE2-CG2 3.8Å; Y260-V264 HydrophobicContact CG-CG2 4.36Å; Y260-V264 VanDerWaalsContact CZ-CG2 3.45Å; Y260-V264 WeakPolarHBondContact O-CG2 3.46Å; Y260-V264 PolarHBondContact O-N 3.29Å; Y260-V274 HydrophobicContact CE1-CB 4.44Å; Y260-V274 HydrophobicContact CE1-CG1 4.21Å; Y260-V274 HydrophobicContact CE1-CG2 4.47Å; Y260-H277 HydrophobicContact CE1-CB 4.08Å; Y260-H277 AromaticContact CZ-CD2 3.83Å; Y260-H277 PolarHBondContact OH-CD2 3.1Å; Y260-H277 VanDerWaalsContact OH-CD2 3.29Å; Y260-I278 HydrophobicContact CD1-CD1 3.93Å; Y260-I278 HydrophobicContact CD1-CG1 4.37Å
261	L	98.4	Very high	96.5	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67	-32.3	178.8	-70.1	166.2	0	0	0	112.9	A257 L258 E259 I263 V264 R265 V274 I278 W302 F305 R306	A257-L261 WeakPolarHBondContact O-CD1 3.44Å; A257-L261 WeakPolarHBondContact O-CG 3.24Å; A257-L261 PolarHBondContact O-N 3.35Å; L258-L261 PolarHBondContact O-N 3.44Å; E259-L261 PolarHBondContact O-N 2.96Å; L261-I263 VanDerWaalsContact C-N 3.33Å; L261-V264 PolarHBondContact O-N 2.87Å; L261-R265 PolarHBondContact O-N 3.44Å; L261-V274 HydrophobicContact CD2-CG1 3.81Å; L261-I278 HydrophobicContact CD1-CD1 4.23Å; L261-I278 HydrophobicContact CG-CD1 4.18Å; L261-W302 HydrophobicContact CD2-CB 4.22Å; L261-F305 HydrophobicContact CD1-CB 4.05Å; L261-F305 HydrophobicContact CD2-CB 3.78Å; L261-R306 HydrophobicContact CD1-CB 4.04Å
262	D	98.3	Very high	96.4	Very high	68 Å²	68	42.9 Å²	42.9	36%	0.364	24%	0.235	S	C	.	.	H	α-helix	trans	-65.6	-37.4	170.7	-78.4	-49.1	0	0	0	111.6	L258 E259 Y260 R265 S266 R306	L258-D262 PolarHBondContact O-N 2.91Å; E259-D262 WeakPolarHBondContact O-CB 3.35Å; E259-D262 PolarHBondContact O-N 3.04Å; E259-D262 VanDerWaalsContact O-N 3.08Å; Y260-D262 VanDerWaalsContact C-N 3.34Å; Y260-D262 PolarHBondContact O-N 3.15Å; D262-R265 WeakPolarHBondContact O-CB 3.26Å; D262-R265 PolarHBondContact O-N 2.71Å; D262-S266 PolarHBondContact O-N 2.84Å; D262-R306 IonicContact OD1-CZ 3.62Å; D262-R306 IonicContact OD1-NH1 3.64Å; D262-R306 IonicContact OD1-NH2 2.91Å; D262-R306 PolarHBondContact OD1-NH2 3.06Å; D262-R306 IonicContact OD2-CZ 2.89Å; D262-R306 IonicContact OD2-NH1 3.34Å; D262-R306 PolarHBondContact OD2-NH1 2.89Å; D262-R306 IonicContact OD2-NH2 3.54Å; D262-R306 PolarHBondContact OD2-NH2 3.32Å
263	I	97.6	Very high	96.2	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.015	24%	0.24	C	C	.	.	H	α-helix	trans	-70.2	-42.5	174.5	-60	168.3	0	0	0	110.9	P38 M41 L42 E259 Y260 L261 R265 S266 Y267	P38-I263 HydrophobicContact CB-CG2 3.97Å; M41-I263 HydrophobicContact CB-CD1 4.48Å; M41-I263 HydrophobicContact CB-CG2 3.95Å; L42-I263 HydrophobicContact CB-CD1 3.79Å; L42-I263 HydrophobicContact CD1-CD1 4.01Å; E259-I263 HydrophobicContact CG-CD1 4.28Å; E259-I263 WeakPolarHBondContact O-CG1 3Å; E259-I263 PolarHBondContact O-N 3.05Å; Y260-I263 PolarHBondContact O-N 2.91Å; Y260-I263 VanDerWaalsContact O-N 3.14Å; L261-I263 VanDerWaalsContact C-N 3.33Å; I263-R265 PolarHBondContact O-N 3.36Å; I263-S266 PolarHBondContact O-N 3.49Å; I263-Y267 HydrophobicContact CG2-CD2 3.87Å; I263-Y267 HydrophobicContact CG2-CE2 4.49Å; I263-Y267 PolarHBondContact O-N 2.95Å
264	V	97.4	Very high	96.1	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.024	24%	0.239	C	C	.	.	H	α-helix	trans	-58.6	-33.7	175.7	168.7	0	0	0	0	111.4	P38 Y260 L261 S266 Y267 P268 V274 W302	P38-V264 HydrophobicContact CB-CG2 3.75Å; P38-V264 HydrophobicContact CG-CG2 4.06Å; Y260-V264 HydrophobicContact CD1-CG2 4.06Å; Y260-V264 HydrophobicContact CD2-CG2 4.23Å; Y260-V264 HydrophobicContact CE1-CG2 3.6Å; Y260-V264 HydrophobicContact CE2-CG2 3.8Å; Y260-V264 HydrophobicContact CG-CG2 4.36Å; Y260-V264 VanDerWaalsContact CZ-CG2 3.45Å; Y260-V264 WeakPolarHBondContact O-CG2 3.46Å; Y260-V264 PolarHBondContact O-N 3.29Å; L261-V264 PolarHBondContact O-N 2.87Å; V264-S266 VanDerWaalsContact C-N 3.32Å; V264-S266 PolarHBondContact O-N 2.88Å; V264-Y267 CarbonylContact O-C 3.36Å; V264-Y267 PolarHBondContact O-N 2.99Å; V264-P268 VanDerWaalsContact O-CA 3.28Å; V264-P268 WeakPolarHBondContact O-CA 3.22Å; V264-P268 VanDerWaalsContact O-N 3.14Å; V264-V274 HydrophobicContact CG1-CG2 3.89Å; V264-V274 HydrophobicContact CG2-CG2 4.15Å; V264-W302 HydrophobicContact CG1-CB 4Å
265	R	96.6	Very high	96	Very high	160 Å²	160	45.4 Å²	45.4	60%	0.604	25%	0.246	S	C	*	.	H	α-helix	trans	-61.2	-41.5	173.8	178.9	-175	175.7	179.6	-1.6	111.8	L261 D262 I263 W302	L261-R265 PolarHBondContact O-N 3.44Å; D262-R265 WeakPolarHBondContact O-CB 3.26Å; D262-R265 PolarHBondContact O-N 2.71Å; I263-R265 PolarHBondContact O-N 3.36Å; R265-W302 HydrophobicContact CB-CE3 4.42Å; R265-W302 HydrophobicContact CB-CH2 4.13Å; R265-W302 HydrophobicContact CB-CZ2 4.27Å; R265-W302 HydrophobicContact CB-CZ3 4.2Å; R265-W302 HydrophobicContact CG-CH2 3.78Å; R265-W302 HydrophobicContact CG-CZ2 3.84Å; R265-W302 HydrophobicContact CG-CZ3 4.33Å
266	S	96.2	Very high	95.8	Very high	84 Å²	84	44.3 Å²	44.3	59%	0.587	25%	0.253	S	S	*	.	H	α-helix	trans	-77.5	-33.6	178.4	-60.3	0	0	0	0	112.8	D262 I263 V264	D262-S266 PolarHBondContact O-N 2.84Å; I263-S266 PolarHBondContact O-N 3.49Å; V264-S266 VanDerWaalsContact C-N 3.32Å; V264-S266 PolarHBondContact O-N 2.88Å
267	Y	95.1	Very high	95.7	Very high	74 Å²	74	45.2 Å²	45.2	29%	0.29	26%	0.257	S	S	.	.	S	Bend	trans	-128.7	81.1	-179.1	-54.5	-75.6	0	0	0	110.3	L37 P38 M41 C75 I263 V264 C269	L37-Y267 HydrophobicContact CD2-CD1 3.53Å; L37-Y267 HydrophobicContact CD2-CE1 4.16Å; L37-Y267 HydrophobicContact CD2-CG 3.81Å; L37-Y267 HydrophobicContact CG-CD1 4.41Å; L37-Y267 HydrophobicContact CG-CG 4.24Å; P38-Y267 WeakPolarHBondContact CG-O 3.36Å; M41-Y267 HydrophobicContact CG-CE2 4.5Å; C75-Y267 HydrophobicContact CB-CE1 3.9Å; I263-Y267 HydrophobicContact CG2-CD2 3.87Å; I263-Y267 HydrophobicContact CG2-CE2 4.49Å; I263-Y267 PolarHBondContact O-N 2.95Å; V264-Y267 CarbonylContact O-C 3.36Å; V264-Y267 PolarHBondContact O-N 2.99Å; Y267-C269 PolarHBondContact O-N 3.07Å
268	P	93.6	Very high	95.6	Very high	105 Å²	105	45.2 Å²	45.2	68%	0.682	26%	0.257	S	S	*	.			trans	-57.2	140.1	-176.7	-27.6	36.2	0	0	0	113.2	V264	V264-P268 VanDerWaalsContact O-CA 3.28Å; V264-P268 WeakPolarHBondContact O-CA 3.22Å; V264-P268 VanDerWaalsContact O-N 3.14Å
269	C	93.1	Very high	95.4	Very high	35 Å²	35	46.5 Å²	46.5	24%	0.236	26%	0.262	C	S	.	.			trans	-136.5	-179.9	174.4	68.3	0	0	0	0	111	E36 P38 Y267 I271	E36-C269 HydrophobicContact CB-CB 4.49Å; E36-C269 HydrophobicContact CG-CB 3.78Å; P38-C269 HydrophobicContact CG-CB 4.3Å; Y267-C269 PolarHBondContact O-N 3.07Å; C269-I271 PolarHBondContact O-N 3.27Å
270	S	92.5	Very high	95.1	Very high	61 Å²	61	46 Å²	46	43%	0.427	26%	0.259	S	S	.	.			trans	-62.6	139.6	-178	90.4	0	0	0	0	111.5	S272 S273 V274	S270-S272 PolarHBondContact O-N 3.45Å; S270-S272 VanDerWaalsContact O-N 3.12Å; S270-S272 PolarHBondContact OG-N 3.15Å; S270-S273 WeakPolarHBondContact O-CB 3.24Å; S270-S273 PolarHBondContact O-N 3.16Å; S270-S273 PolarHBondContact OG-N 3.05Å; S270-S273 PolarHBondContact OG-OG 2.78Å; S270-V274 PolarHBondContact O-N 2.9Å
271	I	94.3	Very high	95	Very high	49 Å²	49	46.3 Å²	46.3	25%	0.251	26%	0.26	S	S	.	.	H	α-helix	trans	-59.1	-25.1	173.2	-67.4	-62	0	0	0	111.8	C269 R275 E300 F305	C269-I271 PolarHBondContact O-N 3.27Å; I271-R275 VanDerWaalsContact O-CB 3.3Å; I271-R275 WeakPolarHBondContact O-CB 3.45Å; I271-R275 PolarHBondContact O-N 2.93Å; I271-R275 PolarHBondContact O-NH1 2.67Å; I271-R275 VanDerWaalsContact O-NH1 3.17Å; I271-E300 VanDerWaalsContact CD1-O 3.27Å; I271-E300 WeakPolarHBondContact CD1-O 3.35Å; I271-E300 WeakPolarHBondContact CG1-O 3.5Å; I271-F305 HydrophobicContact CG2-CE2 4.16Å
272	S	91.9	Very high	94.8	Very high	88 Å²	88	46.3 Å²	46.3	62%	0.615	26%	0.26	S	S	*	.	H	α-helix	trans	-67.2	-42.6	173	-167.8	0	0	0	0	111.9	S270 G276	S270-S272 PolarHBondContact O-N 3.45Å; S270-S272 VanDerWaalsContact O-N 3.12Å; S270-S272 PolarHBondContact OG-N 3.15Å; S272-G276 PolarHBondContact O-N 2.76Å
273	S	92.2	Very high	94.5	Very high	33 Å²	33	44.5 Å²	44.5	23%	0.231	25%	0.25	C	C	.	.	H	α-helix	trans	-63.4	-51.4	175.3	-58.5	0	0	0	0	110.6	S270 R275 G276 H277	S270-S273 WeakPolarHBondContact O-CB 3.24Å; S270-S273 PolarHBondContact O-N 3.16Å; S270-S273 PolarHBondContact OG-N 3.05Å; S270-S273 PolarHBondContact OG-OG 2.78Å; S273-R275 VanDerWaalsContact C-N 3.31Å; S273-R275 PolarHBondContact O-N 3.24Å; S273-G276 PolarHBondContact O-N 2.77Å; S273-H277 PolarHBondContact O-CD2 3.46Å; S273-H277 PolarHBondContact O-N 2.99Å
274	V	95.9	Very high	94.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-53.5	-50.5	178.5	178.2	0	0	0	0	110.8	Y260 L261 V264 S270 G276 H277 I278 F305	Y260-V274 HydrophobicContact CE1-CB 4.44Å; Y260-V274 HydrophobicContact CE1-CG1 4.21Å; Y260-V274 HydrophobicContact CE1-CG2 4.47Å; L261-V274 HydrophobicContact CD2-CG1 3.81Å; V264-V274 HydrophobicContact CG1-CG2 3.89Å; V264-V274 HydrophobicContact CG2-CG2 4.15Å; S270-V274 PolarHBondContact O-N 2.9Å; V274-G276 PolarHBondContact O-N 3.05Å; V274-H277 PolarHBondContact O-N 3.23Å; V274-I278 HydrophobicContact CG1-CG1 4.33Å; V274-I278 VanDerWaalsContact O-CG1 3.23Å; V274-I278 WeakPolarHBondContact O-CG1 3.34Å; V274-I278 PolarHBondContact O-N 2.83Å; V274-F305 HydrophobicContact CB-CE2 4.5Å; V274-F305 HydrophobicContact CG1-CB 4.49Å; V274-F305 HydrophobicContact CG1-CD1 4.47Å; V274-F305 HydrophobicContact CG1-CD2 3.66Å; V274-F305 HydrophobicContact CG1-CE2 4Å; V274-F305 HydrophobicContact CG1-CG 3.96Å
275	R	95.4	Very high	94	Very high	54 Å²	54	47.4 Å²	47.4	20%	0.204	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-45	177.8	-169.2	178.6	-59.7	91.7	-2.7	112.1	I271 S273 H277 I278 F279 L296 A299 E300 F305	I271-R275 VanDerWaalsContact O-CB 3.3Å; I271-R275 WeakPolarHBondContact O-CB 3.45Å; I271-R275 PolarHBondContact O-N 2.93Å; I271-R275 PolarHBondContact O-NH1 2.67Å; I271-R275 VanDerWaalsContact O-NH1 3.17Å; S273-R275 VanDerWaalsContact C-N 3.31Å; S273-R275 PolarHBondContact O-N 3.24Å; R275-H277 VanDerWaalsContact C-N 3.33Å; R275-H277 PolarHBondContact O-N 3.47Å; R275-I278 PolarHBondContact O-N 2.95Å; R275-F279 HydrophobicContact CG-CD2 3.49Å; R275-F279 VanDerWaalsContact CG-CD2 3.49Å; R275-F279 HydrophobicContact CG-CE2 3.44Å; R275-F279 VanDerWaalsContact CG-CE2 3.44Å; R275-F279 HydrophobicContact CG-CZ 4.49Å; R275-F279 VanDerWaalsContact O-CB 3.28Å; R275-F279 WeakPolarHBondContact O-CB 3.45Å; R275-F279 WeakPolarHBondContact O-CD2 3.32Å; R275-F279 PolarHBondContact O-N 3.08Å; R275-L296 PolarHBondContact NE-O 3.31Å; R275-A299 PolarHBondContact NH2-O 2.85Å; R275-E300 IonicContact NH2-OE2 3.93Å; R275-F305 HydrophobicContact CB-CE1 3.98Å; R275-F305 HydrophobicContact CB-CZ 3.69Å; R275-F305 HydrophobicContact CG-CE1 4.02Å; R275-F305 HydrophobicContact CG-CZ 4.03Å
276	G	92.7	Very high	93.9	Very high	42 Å²	42	40.3 Å²	40.3	43%	0.433	24%	0.236	S	C	.	.	H	α-helix	trans	-56.6	-47.7	-179.8	0	0	0	0	0	112	S272 S273 V274 K280	S272-G276 PolarHBondContact O-N 2.76Å; S273-G276 PolarHBondContact O-N 2.77Å; V274-G276 PolarHBondContact O-N 3.05Å; G276-K280 WeakPolarHBondContact O-CB 3.29Å; G276-K280 PolarHBondContact O-N 2.93Å
277	H	94.6	Very high	93.6	Very high	19 Å²	19	41.1 Å²	41.1	9%	0.088	23%	0.226	C	C	.	.	H	α-helix	trans	-66.9	-47.8	178.8	-72.3	-50.5	0	0	0	113.1	S35 E36 W39 Y260 S273 V274 R275 F279 K280 L281	S35-H277 PolarHBondContact OG-CE1 3.01Å; S35-H277 PolarHBondContact OG-NE2 3.16Å; E36-H277 VanDerWaalsContact CD-NE2 3.26Å; E36-H277 IonicContact OE1-CD2 3.97Å; E36-H277 PolarHBondContact OE1-CD2 3.02Å; E36-H277 IonicContact OE1-NE2 3.33Å; E36-H277 PolarHBondContact OE1-NE2 3.11Å; E36-H277 IonicContact OE2-CD2 3.8Å; E36-H277 IonicContact OE2-NE2 2.63Å; E36-H277 PolarHBondContact OE2-NE2 3.13Å; W39-H277 AromaticContact CD2-CE1 3.86Å; W39-H277 AromaticContact CD2-CG 3.96Å; W39-H277 AromaticContact CD2-ND1 3.64Å; W39-H277 HydrophobicContact CE3-CB 3.61Å; W39-H277 AromaticContact CE3-CD2 3.98Å; W39-H277 AromaticContact CE3-CG 3.41Å; W39-H277 VanDerWaalsContact CE3-CG 3.41Å; W39-H277 AromaticContact CE3-ND1 3.53Å; W39-H277 AromaticContact CG-CE1 3.94Å; W39-H277 HydrophobicContact CH2-CB 4.47Å; W39-H277 HydrophobicContact CZ3-CB 3.57Å; W39-H277 AromaticContact CZ3-CG 3.84Å; W39-H277 AromaticContact CZ3-ND1 3.96Å; Y260-H277 HydrophobicContact CE1-CB 4.08Å; Y260-H277 AromaticContact CZ-CD2 3.83Å; Y260-H277 PolarHBondContact OH-CD2 3.1Å; Y260-H277 VanDerWaalsContact OH-CD2 3.29Å; S273-H277 PolarHBondContact O-CD2 3.46Å; S273-H277 PolarHBondContact O-N 2.99Å; V274-H277 PolarHBondContact O-N 3.23Å; R275-H277 VanDerWaalsContact C-N 3.33Å; R275-H277 PolarHBondContact O-N 3.47Å; H277-F279 VanDerWaalsContact C-N 3.33Å; H277-F279 PolarHBondContact O-N 2.88Å; H277-K280 WeakPolarHBondContact O-CB 3.47Å; H277-K280 PolarHBondContact O-N 3.28Å; H277-L281 PolarHBondContact O-N 2.89Å
278	I	96.6	Very high	93.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.2	-39.8	179.2	-60.7	-69.8	0	0	0	111.1	A257 Y260 L261 V274 R275 K280 L281 C282 L296 I309	A257-I278 HydrophobicContact CB-CD1 3.69Å; Y260-I278 HydrophobicContact CD1-CD1 3.93Å; Y260-I278 HydrophobicContact CD1-CG1 4.37Å; L261-I278 HydrophobicContact CD1-CD1 4.23Å; L261-I278 HydrophobicContact CG-CD1 4.18Å; V274-I278 HydrophobicContact CG1-CG1 4.33Å; V274-I278 VanDerWaalsContact O-CG1 3.23Å; V274-I278 WeakPolarHBondContact O-CG1 3.34Å; V274-I278 PolarHBondContact O-N 2.83Å; R275-I278 PolarHBondContact O-N 2.95Å; I278-K280 PolarHBondContact O-N 2.92Å; I278-L281 HydrophobicContact CD1-CD1 4.42Å; I278-C282 VanDerWaalsContact O-CB 3.26Å; I278-C282 WeakPolarHBondContact O-CB 3.23Å; I278-C282 PolarHBondContact O-N 3.2Å; I278-C282 PolarHBondContact O-SG 2.85Å; I278-C282 VanDerWaalsContact O-SG 3.37Å; I278-L296 HydrophobicContact CG2-CD1 3.78Å; I278-L296 HydrophobicContact CG2-CD2 3.51Å; I278-L296 HydrophobicContact CG2-CG 4.28Å; I278-I309 HydrophobicContact CG2-CD1 3.78Å; I278-I309 HydrophobicContact CG2-CG1 4.18Å
279	F	94.5	Very high	93.3	Very high	54 Å²	54	36.1 Å²	36.1	24%	0.237	21%	0.208	C	C	.	.	H	α-helix	trans	-61.6	-35.3	172.9	-92.9	-113.2	0	0	0	112.3	R275 H277 C282 H283 I286 L296	R275-F279 HydrophobicContact CG-CD2 3.49Å; R275-F279 VanDerWaalsContact CG-CD2 3.49Å; R275-F279 HydrophobicContact CG-CE2 3.44Å; R275-F279 VanDerWaalsContact CG-CE2 3.44Å; R275-F279 HydrophobicContact CG-CZ 4.49Å; R275-F279 VanDerWaalsContact O-CB 3.28Å; R275-F279 WeakPolarHBondContact O-CB 3.45Å; R275-F279 WeakPolarHBondContact O-CD2 3.32Å; R275-F279 PolarHBondContact O-N 3.08Å; H277-F279 VanDerWaalsContact C-N 3.33Å; H277-F279 PolarHBondContact O-N 2.88Å; F279-C282 CarbonylContact O-C 3.56Å; F279-H283 VanDerWaalsContact O-CA 3.22Å; F279-H283 WeakPolarHBondContact O-CA 3.21Å; F279-H283 PolarHBondContact O-N 2.81Å; F279-I286 HydrophobicContact CD1-CD1 3.59Å; F279-I286 HydrophobicContact CE1-CD1 4.09Å; F279-I286 HydrophobicContact CG-CD1 4.42Å; F279-L296 HydrophobicContact CD2-CB 4.02Å; F279-L296 HydrophobicContact CD2-CD1 4.38Å; F279-L296 HydrophobicContact CE2-CB 3.38Å; F279-L296 HydrophobicContact CE2-CD1 4.45Å; F279-L296 HydrophobicContact CZ-CB 4.02Å
280	K	92.8	Very high	93.4	Very high	34 Å²	34	38 Å²	38	15%	0.148	22%	0.218	C	C	.	.	H	α-helix	trans	-75	-42.1	-178.6	-169.3	50.5	169.7	176.8	0	112.2	E237 L240 C241 G276 H277 I278 C282 H283	E237-K280 WeakPolarHBondContact OE2-CE 3.46Å; E237-K280 IonicContact OE2-NZ 3.64Å; E237-K280 PolarHBondContact OE2-NZ 2.74Å; L240-K280 HydrophobicContact CB-CB 4.47Å; L240-K280 HydrophobicContact CB-CG 3.51Å; L240-K280 WeakPolarHBondContact O-CG 3.4Å; C241-K280 WeakPolarHBondContact SG-CE 3.37Å; G276-K280 WeakPolarHBondContact O-CB 3.29Å; G276-K280 PolarHBondContact O-N 2.93Å; H277-K280 WeakPolarHBondContact O-CB 3.47Å; H277-K280 PolarHBondContact O-N 3.28Å; I278-K280 PolarHBondContact O-N 2.92Å; K280-C282 VanDerWaalsContact C-N 3.34Å; K280-H283 WeakPolarHBondContact O-CB 3.43Å; K280-H283 PolarHBondContact O-N 2.88Å
281	L	94.9	Very high	93.5	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-57	-48.4	168.9	-76.8	172.8	0	0	0	111.2	W39 P243 V253 P256 A257 H277 I278 H283	W39-L281 HydrophobicContact CH2-CD1 3.89Å; W39-L281 HydrophobicContact CH2-CD2 3.88Å; W39-L281 HydrophobicContact CH2-CG 3.77Å; W39-L281 HydrophobicContact CZ3-CD1 3.88Å; W39-L281 HydrophobicContact CZ3-CG 4.21Å; P243-L281 VanDerWaalsContact CD-CD2 3.48Å; P243-L281 HydrophobicContact CG-CD2 4.19Å; V253-L281 VanDerWaalsContact CG1-O 3.29Å; V253-L281 WeakPolarHBondContact CG1-O 3.44Å; P256-L281 HydrophobicContact CB-CD1 4.46Å; P256-L281 HydrophobicContact CB-CD2 4.19Å; P256-L281 HydrophobicContact CG-CD2 3.95Å; A257-L281 HydrophobicContact CB-CD1 4.03Å; H277-L281 PolarHBondContact O-N 2.89Å; I278-L281 HydrophobicContact CD1-CD1 4.42Å; L281-H283 VanDerWaalsContact C-N 3.28Å; L281-H283 PolarHBondContact O-N 2.85Å
282	C	95.5	Very high	93.7	Very high	1 Å²	1	37 Å²	37	1%	0.007	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	15.4	-177	-60.7	0	0	0	0	113.6	I278 F279 K280 K284 S285 I286 L292 L296	I278-C282 VanDerWaalsContact O-CB 3.26Å; I278-C282 WeakPolarHBondContact O-CB 3.23Å; I278-C282 PolarHBondContact O-N 3.2Å; I278-C282 PolarHBondContact O-SG 2.85Å; I278-C282 VanDerWaalsContact O-SG 3.37Å; F279-C282 CarbonylContact O-C 3.56Å; K280-C282 VanDerWaalsContact C-N 3.34Å; C282-K284 VanDerWaalsContact C-N 3.3Å; C282-K284 PolarHBondContact O-N 3.36Å; C282-K284 VanDerWaalsContact O-N 3.15Å; C282-S285 CarbonylContact O-C 3.18Å; C282-S285 WeakPolarHBondContact O-CA 3.04Å; C282-S285 WeakPolarHBondContact O-CB 3.45Å; C282-S285 PolarHBondContact O-N 3.46Å; C282-I286 HydrophobicContact CB-CG2 3.96Å; C282-I286 PolarHBondContact O-N 3.2Å; C282-L292 HydrophobicContact CB-CD2 4.04Å; C282-L296 HydrophobicContact CB-CD1 4.32Å
283	H	91	Very high	93.9	Very high	29 Å²	29	36 Å²	36	13%	0.134	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-42.4	-167.2	176.4	-102.6	0	0	0	113.4	F279 K280 L281 I286 Y287 D338	F279-H283 VanDerWaalsContact O-CA 3.22Å; F279-H283 WeakPolarHBondContact O-CA 3.21Å; F279-H283 PolarHBondContact O-N 2.81Å; K280-H283 WeakPolarHBondContact O-CB 3.43Å; K280-H283 PolarHBondContact O-N 2.88Å; L281-H283 VanDerWaalsContact C-N 3.28Å; L281-H283 PolarHBondContact O-N 2.85Å; H283-I286 WeakPolarHBondContact O-CG1 3.44Å; H283-Y287 AromaticContact CD2-CE2 3.85Å; H283-Y287 AromaticContact CE1-CE2 3.75Å; H283-Y287 AromaticContact NE2-CE2 3.5Å; H283-Y287 WeakPolarHBondContact O-CD2 3.26Å; H283-Y287 WeakPolarHBondContact O-CE2 3.38Å; H283-D338 IonicContact CE1-OD1 3.13Å
284	K	91.1	Very high	94.1	Very high	69 Å²	69	38.2 Å²	38.2	30%	0.3	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-40.2	175.7	-63.1	-62.8	-175.5	179	0	112	C282 I286 Y287 A288 H332 Q336 D338	C282-K284 VanDerWaalsContact C-N 3.3Å; C282-K284 PolarHBondContact O-N 3.36Å; C282-K284 VanDerWaalsContact O-N 3.15Å; K284-I286 PolarHBondContact O-N 2.98Å; K284-Y287 PolarHBondContact O-N 3.19Å; K284-A288 PolarHBondContact O-N 3.15Å; K284-H332 HydrophobicContact CB-CB 4.41Å; K284-Q336 HydrophobicContact CG-CB 4.34Å; K284-D338 IonicContact NZ-OD1 3.67Å
285	S	94.3	Very high	94.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.2	-37.5	177.3	-62.5	0	0	0	0	114.6	C282 Y287 A288 D289 F312 H332 W333	C282-S285 CarbonylContact O-C 3.18Å; C282-S285 WeakPolarHBondContact O-CA 3.04Å; C282-S285 WeakPolarHBondContact O-CB 3.45Å; C282-S285 PolarHBondContact O-N 3.46Å; S285-Y287 PolarHBondContact O-N 3.34Å; S285-A288 PolarHBondContact O-N 2.93Å; S285-D289 WeakPolarHBondContact O-CB 3.33Å; S285-D289 PolarHBondContact O-N 3.46Å; S285-F312 WeakPolarHBondContact OG-CZ 3.12Å; S285-H332 PolarHBondContact OG-ND1 3.17Å; S285-H332 PolarHBondContact OG-O 3.5Å; S285-W333 WeakPolarHBondContact OG-CA 3.42Å
286	I	94.1	Very high	94.2	Very high	10 Å²	10	36.3 Å²	36.3	5%	0.051	20%	0.201	C	C	.	.	H	α-helix	trans	-68.8	-20.6	-178.5	60.3	171.1	0	0	0	113.1	F279 C282 H283 K284 L292 R293 L296	F279-I286 HydrophobicContact CD1-CD1 3.59Å; F279-I286 HydrophobicContact CE1-CD1 4.09Å; F279-I286 HydrophobicContact CG-CD1 4.42Å; C282-I286 HydrophobicContact CB-CG2 3.96Å; C282-I286 PolarHBondContact O-N 3.2Å; H283-I286 WeakPolarHBondContact O-CG1 3.44Å; K284-I286 PolarHBondContact O-N 2.98Å; I286-L292 HydrophobicContact CG2-CD2 4.04Å; I286-L292 HydrophobicContact CG2-CG 4.18Å; I286-R293 HydrophobicContact CB-CB 3.99Å; I286-R293 HydrophobicContact CB-CG 4.19Å; I286-R293 HydrophobicContact CG2-CB 4.41Å; I286-R293 WeakPolarHBondContact O-CB 3.48Å; I286-L296 HydrophobicContact CG2-CD1 3.98Å
287	Y	90.5	Very high	94.3	Very high	101 Å²	101	36.2 Å²	36.2	40%	0.396	20%	0.2	S	C	.	.	H	α-helix	trans	-81.5	-37.9	171.4	-67.8	-61.5	0	0	0	111.9	H283 K284 S285 A352	H283-Y287 AromaticContact CD2-CE2 3.85Å; H283-Y287 AromaticContact CE1-CE2 3.75Å; H283-Y287 AromaticContact NE2-CE2 3.5Å; H283-Y287 WeakPolarHBondContact O-CD2 3.26Å; H283-Y287 WeakPolarHBondContact O-CE2 3.38Å; K284-Y287 PolarHBondContact O-N 3.19Å; S285-Y287 PolarHBondContact O-N 3.34Å; Y287-A352 HydrophobicContact CD1-CB 4.24Å; Y287-A352 HydrophobicContact CE1-CB 3.36Å
288	A	90.8	Very high	94.4	Very high	63 Å²	63	38.1 Å²	38.1	52%	0.521	21%	0.213	S	C	.	.	H	α-helix	trans	-76.8	-25.5	178.8	0	0	0	0	0	113.4	K284 S285 H332	K284-A288 PolarHBondContact O-N 3.15Å; S285-A288 PolarHBondContact O-N 2.93Å; A288-H332 HydrophobicContact CB-CB 4.18Å
289	D	91.7	Very high	94.4	Very high	11 Å²	11	38.2 Å²	38.2	6%	0.059	21%	0.214	C	C	.	.			trans	-132.4	102.8	-173.6	-174.7	-19.3	0	0	0	111.8	S285 T291 L292 R293 F312 R315 F316	S285-D289 WeakPolarHBondContact O-CB 3.33Å; S285-D289 PolarHBondContact O-N 3.46Å; D289-T291 VanDerWaalsContact C-N 3.3Å; D289-T291 PolarHBondContact O-N 3.05Å; D289-T291 WeakPolarHBondContact OD1-CA 3.46Å; D289-T291 VanDerWaalsContact OD1-CB 3.24Å; D289-T291 WeakPolarHBondContact OD1-CB 3.32Å; D289-T291 PolarHBondContact OD1-N 2.83Å; D289-L292 HydrophobicContact CB-CB 3.98Å; D289-L292 PolarHBondContact O-N 2.92Å; D289-L292 PolarHBondContact OD1-N 3.31Å; D289-R293 PolarHBondContact O-N 3.5Å; D289-F312 HydrophobicContact CB-CE2 4.25Å; D289-F312 WeakPolarHBondContact OD2-CD2 2.94Å; D289-R315 IonicContact OD1-NH1 2.8Å; D289-R315 IonicContact OD1-NH2 2.85Å; D289-R315 IonicContact OD2-CZ 3.75Å; D289-R315 IonicContact OD2-NH1 3.7Å; D289-R315 PolarHBondContact OD2-NH1 2.99Å; D289-R315 IonicContact OD2-NH2 3.43Å; D289-R315 PolarHBondContact OD2-NH2 2.96Å; D289-F316 WeakPolarHBondContact OD2-CE2 3.34Å
290	T	94.2	Very high	94.4	Very high	74 Å²	74	39.5 Å²	39.5	45%	0.454	22%	0.221	S	C	.	.	H	α-helix	trans	-66.8	-29.4	177.6	56.6	0	0	0	0	112.9	R293 D294	T290-R293 PolarHBondContact O-N 3.45Å; T290-D294 VanDerWaalsContact O-CB 3.27Å; T290-D294 WeakPolarHBondContact O-CB 3.25Å; T290-D294 PolarHBondContact O-N 2.98Å
291	T	95.6	Very high	94.5	Very high	88 Å²	88	40.6 Å²	40.6	54%	0.54	23%	0.231	S	C	.	.	H	α-helix	trans	-66.6	-44	177.2	-58	0	0	0	0	110.2	D289 G295	D289-T291 VanDerWaalsContact C-N 3.3Å; D289-T291 PolarHBondContact O-N 3.05Å; D289-T291 WeakPolarHBondContact OD1-CA 3.46Å; D289-T291 VanDerWaalsContact OD1-CB 3.24Å; D289-T291 WeakPolarHBondContact OD1-CB 3.32Å; D289-T291 PolarHBondContact OD1-N 2.83Å; T291-G295 PolarHBondContact O-N 3.04Å
292	L	96.6	Very high	94.4	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-59.9	-53	172.7	175.5	66.8	0	0	0	110.6	C282 I286 D289 D294 G295 L296 V308 I309 F312	C282-L292 HydrophobicContact CB-CD2 4.04Å; I286-L292 HydrophobicContact CG2-CD2 4.04Å; I286-L292 HydrophobicContact CG2-CG 4.18Å; D289-L292 HydrophobicContact CB-CB 3.98Å; D289-L292 PolarHBondContact O-N 2.92Å; D289-L292 PolarHBondContact OD1-N 3.31Å; L292-D294 PolarHBondContact O-N 3.34Å; L292-G295 PolarHBondContact O-N 3.34Å; L292-L296 HydrophobicContact CD1-CD1 3.7Å; L292-L296 HydrophobicContact CD1-CD2 4.41Å; L292-L296 HydrophobicContact CD1-CG 3.87Å; L292-L296 HydrophobicContact CG-CD1 3.88Å; L292-L296 HydrophobicContact CG-CG 4.33Å; L292-L296 WeakPolarHBondContact O-CB 3.45Å; L292-L296 VanDerWaalsContact O-CG 3.28Å; L292-L296 WeakPolarHBondContact O-CG 3.28Å; L292-L296 PolarHBondContact O-N 2.86Å; L292-V308 HydrophobicContact CD1-CG1 3.88Å; L292-I309 HydrophobicContact CD1-CD1 4.14Å; L292-F312 HydrophobicContact CB-CD2 3.98Å; L292-F312 HydrophobicContact CB-CE2 4.42Å; L292-F312 HydrophobicContact CD1-CB 3.91Å; L292-F312 HydrophobicContact CD1-CD2 4.15Å; L292-F312 HydrophobicContact CD1-CG 3.95Å; L292-F312 HydrophobicContact CD2-CD1 4.34Å; L292-F312 HydrophobicContact CD2-CD2 3.78Å; L292-F312 HydrophobicContact CD2-CE1 4.35Å; L292-F312 HydrophobicContact CD2-CE2 3.74Å; L292-F312 HydrophobicContact CD2-CG 4.09Å; L292-F312 HydrophobicContact CD2-CZ 4.06Å; L292-F312 HydrophobicContact CG-CD2 4.18Å; L292-F312 HydrophobicContact CG-CG 4.44Å
293	R	96.9	Very high	94.5	Very high	69 Å²	69	47.2 Å²	47.2	26%	0.26	26%	0.261	S	S	.	.	H	α-helix	trans	-56.3	-48.3	-177.9	-175.6	-171.8	67.2	-166.8	-0.8	112.5	I286 D289 T290 G297	I286-R293 HydrophobicContact CB-CB 3.99Å; I286-R293 HydrophobicContact CB-CG 4.19Å; I286-R293 HydrophobicContact CG2-CB 4.41Å; I286-R293 WeakPolarHBondContact O-CB 3.48Å; D289-R293 PolarHBondContact O-N 3.5Å; T290-R293 PolarHBondContact O-N 3.45Å; R293-G297 PolarHBondContact O-N 3.44Å
294	D	96.5	Very high	94.8	Very high	78 Å²	78	49.5 Å²	49.5	42%	0.417	27%	0.271	S	S	.	.	H	α-helix	trans	-74	-34.9	-175.9	-62.9	-6.5	0	0	0	110.9	T290 L292 G297 T298	T290-D294 VanDerWaalsContact O-CB 3.27Å; T290-D294 WeakPolarHBondContact O-CB 3.25Å; T290-D294 PolarHBondContact O-N 2.98Å; L292-D294 PolarHBondContact O-N 3.34Å; D294-G297 PolarHBondContact O-N 2.81Å; D294-T298 WeakPolarHBondContact O-CB 3.38Å; D294-T298 WeakPolarHBondContact O-CG2 3.46Å; D294-T298 PolarHBondContact O-N 3.37Å; D294-T298 PolarHBondContact O-OG1 2.92Å
295	G	97.4	Very high	95.2	Very high	15 Å²	15	46.2 Å²	46.2	16%	0.155	26%	0.257	C	S	.	.	H	α-helix	trans	-58	-56.8	170.3	0	0	0	0	0	111.7	T291 L292 G297 T298 A299	T291-G295 PolarHBondContact O-N 3.04Å; L292-G295 PolarHBondContact O-N 3.34Å; G295-G297 VanDerWaalsContact C-N 3.3Å; G295-G297 PolarHBondContact O-N 3.06Å; G295-T298 PolarHBondContact O-N 3.42Å; G295-T298 PolarHBondContact O-OG1 3.37Å; G295-A299 WeakPolarHBondContact O-CB 3.48Å; G295-A299 PolarHBondContact O-N 3.45Å
296	L	96.4	Very high	95.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.1	-36.1	178.2	-63.6	178	0	0	0	112.2	R275 I278 F279 C282 I286 L292 T298 F305 V308 I309	R275-L296 PolarHBondContact NE-O 3.31Å; I278-L296 HydrophobicContact CG2-CD1 3.78Å; I278-L296 HydrophobicContact CG2-CD2 3.51Å; I278-L296 HydrophobicContact CG2-CG 4.28Å; F279-L296 HydrophobicContact CD2-CB 4.02Å; F279-L296 HydrophobicContact CD2-CD1 4.38Å; F279-L296 HydrophobicContact CE2-CB 3.38Å; F279-L296 HydrophobicContact CE2-CD1 4.45Å; F279-L296 HydrophobicContact CZ-CB 4.02Å; C282-L296 HydrophobicContact CB-CD1 4.32Å; I286-L296 HydrophobicContact CG2-CD1 3.98Å; L292-L296 HydrophobicContact CD1-CD1 3.7Å; L292-L296 HydrophobicContact CD1-CD2 4.41Å; L292-L296 HydrophobicContact CD1-CG 3.87Å; L292-L296 HydrophobicContact CG-CD1 3.88Å; L292-L296 HydrophobicContact CG-CG 4.33Å; L292-L296 WeakPolarHBondContact O-CB 3.45Å; L292-L296 VanDerWaalsContact O-CG 3.28Å; L292-L296 WeakPolarHBondContact O-CG 3.28Å; L292-L296 PolarHBondContact O-N 2.86Å; L296-T298 VanDerWaalsContact C-N 3.26Å; L296-T298 PolarHBondContact O-N 2.87Å; L296-F305 HydrophobicContact CB-CE1 4.49Å; L296-F305 HydrophobicContact CD2-CD1 3.74Å; L296-F305 HydrophobicContact CD2-CE1 4.29Å; L296-F305 WeakPolarHBondContact O-CE1 3.19Å; L296-V308 HydrophobicContact CD2-CB 4.22Å; L296-V308 HydrophobicContact CD2-CG1 3.69Å; L296-V308 HydrophobicContact CG-CG1 3.85Å; L296-I309 HydrophobicContact CD2-CD1 4.11Å; L296-I309 HydrophobicContact CD2-CG1 4.28Å
297	G	95.1	Very high	95.6	Very high	40 Å²	40	53 Å²	53	41%	0.412	29%	0.29	S	S	.	.	H	α-helix	trans	-67.5	-25.6	178.4	0	0	0	0	0	113.6	R293 D294 G295	R293-G297 PolarHBondContact O-N 3.44Å; D294-G297 PolarHBondContact O-N 2.81Å; G295-G297 VanDerWaalsContact C-N 3.3Å; G295-G297 PolarHBondContact O-N 3.06Å
298	T	96	Very high	95.9	Very high	58 Å²	58	49.7 Å²	49.7	36%	0.356	28%	0.28	S	S	.	.	H	α-helix	trans	-105.1	-11.2	-179.6	57.7	0	0	0	0	114.6	D294 G295 L296 E300 K393	D294-T298 WeakPolarHBondContact O-CB 3.38Å; D294-T298 WeakPolarHBondContact O-CG2 3.46Å; D294-T298 PolarHBondContact O-N 3.37Å; D294-T298 PolarHBondContact O-OG1 2.92Å; G295-T298 PolarHBondContact O-N 3.42Å; G295-T298 PolarHBondContact O-OG1 3.37Å; L296-T298 VanDerWaalsContact C-N 3.26Å; L296-T298 PolarHBondContact O-N 2.87Å; T298-E300 WeakPolarHBondContact O-CG 3.3Å; T298-K393 PolarHBondContact OG1-NZ 3.48Å
299	A	95.9	Very high	96.3	Very high	2 Å²	2	46.7 Å²	46.7	2%	0.017	26%	0.255	C	S	.	.			trans	-64.6	139.3	175.7	0	0	0	0	0	112.1	R275 G295 E304 F305	R275-A299 PolarHBondContact NH2-O 2.85Å; G295-A299 WeakPolarHBondContact O-CB 3.48Å; G295-A299 PolarHBondContact O-N 3.45Å; A299-E304 WeakPolarHBondContact CA-OE2 3.23Å; A299-E304 HydrophobicContact CB-CB 3.84Å; A299-F305 HydrophobicContact CB-CD1 3.87Å; A299-F305 HydrophobicContact CB-CD2 3.95Å; A299-F305 HydrophobicContact CB-CE1 3.76Å; A299-F305 HydrophobicContact CB-CE2 3.82Å; A299-F305 HydrophobicContact CB-CG 3.94Å; A299-F305 HydrophobicContact CB-CZ 3.71Å
300	E	95.2	Very high	96.6	Very high	81 Å²	81	48.5 Å²	48.5	38%	0.379	27%	0.268	S	S	.	.			trans	-133.5	-6.8	-170.8	-65	-84.9	-151.9	0	0	112.6	I271 R275 T298 E304 K386	I271-E300 VanDerWaalsContact CD1-O 3.27Å; I271-E300 WeakPolarHBondContact CD1-O 3.35Å; I271-E300 WeakPolarHBondContact CG1-O 3.5Å; R275-E300 IonicContact NH2-OE2 3.93Å; T298-E300 WeakPolarHBondContact O-CG 3.3Å; E300-E304 PolarHBondContact N-OE2 2.7Å; E300-K386 IonicContact OE1-NZ 2.69Å; E300-K386 PolarHBondContact OE1-NZ 3Å; E300-K386 IonicContact OE2-NZ 3.65Å
301	T	95.2	Very high	96.7	Very high	58 Å²	58	49.9 Å²	49.9	36%	0.356	27%	0.27	S	S	.	.	S	Bend	trans	-131.2	153.4	171.3	70.6	0	0	0	0	109.7	N303 E304 F305	T301-N303 PolarHBondContact O-N 3.3Å; T301-E304 WeakPolarHBondContact O-CB 3.44Å; T301-E304 PolarHBondContact O-N 3.05Å; T301-E304 WeakPolarHBondContact OG1-CG 3.41Å; T301-E304 PolarHBondContact OG1-N 2.68Å; T301-F305 WeakPolarHBondContact O-CD2 3.37Å; T301-F305 PolarHBondContact O-N 2.72Å; T301-F305 VanDerWaalsContact O-N 3.11Å
302	W	93.3	Very high	96.8	Very high	70 Å²	70	45.7 Å²	45.7	27%	0.265	24%	0.244	S	C	.	.	H	α-helix	trans	-59.1	-29.8	176.5	66.1	-95.5	0	0	0	112.5	L261 V264 R265 F305 R306	L261-W302 HydrophobicContact CD2-CB 4.22Å; V264-W302 HydrophobicContact CG1-CB 4Å; R265-W302 HydrophobicContact CB-CE3 4.42Å; R265-W302 HydrophobicContact CB-CH2 4.13Å; R265-W302 HydrophobicContact CB-CZ2 4.27Å; R265-W302 HydrophobicContact CB-CZ3 4.2Å; R265-W302 HydrophobicContact CG-CH2 3.78Å; R265-W302 HydrophobicContact CG-CZ2 3.84Å; R265-W302 HydrophobicContact CG-CZ3 4.33Å; W302-F305 PolarHBondContact O-N 2.97Å; W302-R306 PolarHBondContact O-N 3.33Å
303	N	96.3	Very high	96.8	Very high	74 Å²	74	48.6 Å²	48.6	40%	0.396	26%	0.257	S	S	.	.	H	α-helix	trans	-63.5	-45.9	171.9	-82.8	-34.4	0	0	0	111.7	T301 F305 R306 D307	T301-N303 PolarHBondContact O-N 3.3Å; N303-F305 VanDerWaalsContact C-N 3.29Å; N303-F305 PolarHBondContact O-N 3.16Å; N303-R306 WeakPolarHBondContact O-CA 3.41Å; N303-R306 WeakPolarHBondContact O-CB 3.32Å; N303-R306 PolarHBondContact O-N 3.39Å; N303-D307 VanDerWaalsContact O-CG 3.26Å; N303-D307 PolarHBondContact O-N 3.1Å
304	E	98.1	Very high	96.7	Very high	77 Å²	77	48.6 Å²	48.6	36%	0.36	27%	0.267	S	S	.	.	H	α-helix	trans	-62.7	-37.3	176.5	-71.1	172	-174.2	0	0	111.7	A299 E300 T301 D307 V308	A299-E304 WeakPolarHBondContact CA-OE2 3.23Å; A299-E304 HydrophobicContact CB-CB 3.84Å; E300-E304 PolarHBondContact N-OE2 2.7Å; T301-E304 WeakPolarHBondContact O-CB 3.44Å; T301-E304 PolarHBondContact O-N 3.05Å; T301-E304 WeakPolarHBondContact OG1-CG 3.41Å; T301-E304 PolarHBondContact OG1-N 2.68Å; E304-D307 PolarHBondContact O-N 3.3Å; E304-V308 VanDerWaalsContact O-CG2 3.25Å; E304-V308 WeakPolarHBondContact O-CG2 3.35Å; E304-V308 PolarHBondContact O-N 2.83Å; E304-V308 VanDerWaalsContact O-N 3.09Å
305	F	98.4	Very high	96.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.7	-43.7	171.1	-74.5	-76.5	0	0	0	111.7	L261 I271 V274 R275 L296 A299 T301 W302 N303 V308 I309	L261-F305 HydrophobicContact CD1-CB 4.05Å; L261-F305 HydrophobicContact CD2-CB 3.78Å; I271-F305 HydrophobicContact CG2-CE2 4.16Å; V274-F305 HydrophobicContact CB-CE2 4.5Å; V274-F305 HydrophobicContact CG1-CB 4.49Å; V274-F305 HydrophobicContact CG1-CD1 4.47Å; V274-F305 HydrophobicContact CG1-CD2 3.66Å; V274-F305 HydrophobicContact CG1-CE2 4Å; V274-F305 HydrophobicContact CG1-CG 3.96Å; R275-F305 HydrophobicContact CB-CE1 3.98Å; R275-F305 HydrophobicContact CB-CZ 3.69Å; R275-F305 HydrophobicContact CG-CE1 4.02Å; R275-F305 HydrophobicContact CG-CZ 4.03Å; L296-F305 HydrophobicContact CB-CE1 4.49Å; L296-F305 HydrophobicContact CD2-CD1 3.74Å; L296-F305 HydrophobicContact CD2-CE1 4.29Å; L296-F305 WeakPolarHBondContact O-CE1 3.19Å; A299-F305 HydrophobicContact CB-CD1 3.87Å; A299-F305 HydrophobicContact CB-CD2 3.95Å; A299-F305 HydrophobicContact CB-CE1 3.76Å; A299-F305 HydrophobicContact CB-CE2 3.82Å; A299-F305 HydrophobicContact CB-CG 3.94Å; A299-F305 HydrophobicContact CB-CZ 3.71Å; T301-F305 WeakPolarHBondContact O-CD2 3.37Å; T301-F305 PolarHBondContact O-N 2.72Å; T301-F305 VanDerWaalsContact O-N 3.11Å; W302-F305 PolarHBondContact O-N 2.97Å; N303-F305 VanDerWaalsContact C-N 3.29Å; N303-F305 PolarHBondContact O-N 3.16Å; F305-V308 PolarHBondContact O-N 3.27Å; F305-I309 VanDerWaalsContact O-CG1 3.3Å; F305-I309 WeakPolarHBondContact O-CG1 3.43Å; F305-I309 PolarHBondContact O-N 3.14Å
306	R	98.4	Very high	96.1	Very high	52 Å²	52	50.6 Å²	50.6	20%	0.196	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-43.6	177.3	174.3	175.1	-70	-86.5	-11.7	112	L258 L261 D262 W302 N303 I309 S310	L258-R306 HydrophobicContact CD2-CG 3.97Å; L258-R306 PolarHBondContact O-NH2 2.89Å; L261-R306 HydrophobicContact CD1-CB 4.04Å; D262-R306 IonicContact OD1-CZ 3.62Å; D262-R306 IonicContact OD1-NH1 3.64Å; D262-R306 IonicContact OD1-NH2 2.91Å; D262-R306 PolarHBondContact OD1-NH2 3.06Å; D262-R306 IonicContact OD2-CZ 2.89Å; D262-R306 IonicContact OD2-NH1 3.34Å; D262-R306 PolarHBondContact OD2-NH1 2.89Å; D262-R306 IonicContact OD2-NH2 3.54Å; D262-R306 PolarHBondContact OD2-NH2 3.32Å; W302-R306 PolarHBondContact O-N 3.33Å; N303-R306 WeakPolarHBondContact O-CA 3.41Å; N303-R306 WeakPolarHBondContact O-CB 3.32Å; N303-R306 PolarHBondContact O-N 3.39Å; R306-I309 PolarHBondContact O-N 3.08Å; R306-S310 VanDerWaalsContact O-CB 3.27Å; R306-S310 WeakPolarHBondContact O-CB 3.11Å; R306-S310 PolarHBondContact O-N 3.03Å; R306-S310 PolarHBondContact O-OG 2.94Å
307	D	98.4	Very high	95.7	Very high	102 Å²	102	55.5 Å²	55.5	55%	0.545	29%	0.288	S	S	.	.	H	α-helix	trans	-62.2	-46.3	179.1	-66	-20.9	0	0	0	110.6	N303 E304 I309 S310 E311	N303-D307 VanDerWaalsContact O-CG 3.26Å; N303-D307 PolarHBondContact O-N 3.1Å; E304-D307 PolarHBondContact O-N 3.3Å; D307-I309 PolarHBondContact O-N 3Å; D307-S310 PolarHBondContact O-N 3.2Å; D307-E311 WeakPolarHBondContact O-CB 3.18Å; D307-E311 PolarHBondContact O-N 3.46Å
308	V	98.4	Very high	94.4	Very high	31 Å²	31	58.3 Å²	58.3	19%	0.188	30%	0.298	C	S	.	.	H	α-helix	trans	-61.7	-43.4	177.6	171.7	0	0	0	0	111.7	L292 L296 E304 F305 F312	L292-V308 HydrophobicContact CD1-CG1 3.88Å; L296-V308 HydrophobicContact CD2-CB 4.22Å; L296-V308 HydrophobicContact CD2-CG1 3.69Å; L296-V308 HydrophobicContact CG-CG1 3.85Å; E304-V308 VanDerWaalsContact O-CG2 3.25Å; E304-V308 WeakPolarHBondContact O-CG2 3.35Å; E304-V308 PolarHBondContact O-N 2.83Å; E304-V308 VanDerWaalsContact O-N 3.09Å; F305-V308 PolarHBondContact O-N 3.27Å; V308-F312 WeakPolarHBondContact O-CB 3.32Å; V308-F312 PolarHBondContact O-N 3.48Å
309	I	98.4	Very high	92.2	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-69.8	-37.2	178.4	-66.7	-67	0	0	0	111.5	W254 A257 L258 I278 L292 L296 F305 R306 D307 F312 K313	W254-I309 HydrophobicContact CB-CG2 3.68Å; A257-I309 HydrophobicContact CB-CD1 4.19Å; A257-I309 HydrophobicContact CB-CG1 4.28Å; A257-I309 HydrophobicContact CB-CG2 4Å; L258-I309 HydrophobicContact CD1-CG2 4.39Å; L258-I309 HydrophobicContact CD2-CB 4.21Å; L258-I309 HydrophobicContact CD2-CG2 3.8Å; L258-I309 HydrophobicContact CG-CG2 3.72Å; I278-I309 HydrophobicContact CG2-CD1 3.78Å; I278-I309 HydrophobicContact CG2-CG1 4.18Å; L292-I309 HydrophobicContact CD1-CD1 4.14Å; L296-I309 HydrophobicContact CD2-CD1 4.11Å; L296-I309 HydrophobicContact CD2-CG1 4.28Å; F305-I309 VanDerWaalsContact O-CG1 3.3Å; F305-I309 WeakPolarHBondContact O-CG1 3.43Å; F305-I309 PolarHBondContact O-N 3.14Å; R306-I309 PolarHBondContact O-N 3.08Å; D307-I309 PolarHBondContact O-N 3Å; I309-F312 PolarHBondContact O-N 3.17Å; I309-K313 WeakPolarHBondContact O-CB 3.25Å; I309-K313 PolarHBondContact O-N 3.33Å
310	S	98	Very high	90	Very high	48 Å²	48	67.2 Å²	67.2	34%	0.336	34%	0.343	S	S	.	.	H	α-helix	trans	-66.7	-39	177.1	-57.7	0	0	0	0	111.7	R306 D307 K313 S314	R306-S310 VanDerWaalsContact O-CB 3.27Å; R306-S310 WeakPolarHBondContact O-CB 3.11Å; R306-S310 PolarHBondContact O-N 3.03Å; R306-S310 PolarHBondContact O-OG 2.94Å; D307-S310 PolarHBondContact O-N 3.2Å; S310-K313 WeakPolarHBondContact O-CB 3.15Å; S310-K313 PolarHBondContact O-N 3.07Å; S310-S314 PolarHBondContact O-N 2.83Å
311	E	96.5	Very high	87.5	Confident	103 Å²	103	67.4 Å²	67.4	48%	0.481	36%	0.359	S	S	.	.	H	α-helix	trans	-71	-31.6	173.3	178.2	59.1	-167.6	0	0	112.4	D307 S314 R315	D307-E311 WeakPolarHBondContact O-CB 3.18Å; D307-E311 PolarHBondContact O-N 3.46Å; E311-S314 WeakPolarHBondContact CA-OG 2.86Å; E311-S314 PolarHBondContact O-OG 3.43Å; E311-S314 PolarHBondContact OE2-OG 3.44Å; E311-R315 WeakPolarHBondContact O-CG 3.3Å; E311-R315 PolarHBondContact O-N 2.83Å; E311-R315 PolarHBondContact O-NE 2.82Å
312	F	96.7	Very high	85.2	Confident	0 Å²	0	72 Å²	72	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-66.3	-44.8	170.2	-178.9	-106	0	0	0	110.8	V253 W254 S285 D289 L292 V308 I309 R315 F316 W333	V253-F312 HydrophobicContact CG2-CD1 4.2Å; V253-F312 HydrophobicContact CG2-CE1 3.6Å; W254-F312 AromaticContact CE3-CD1 3.72Å; W254-F312 HydrophobicContact CE3-CD1 3.72Å; W254-F312 AromaticContact CE3-CE1 3.73Å; W254-F312 HydrophobicContact CE3-CE1 3.73Å; W254-F312 HydrophobicContact CZ3-CD1 4.17Å; W254-F312 AromaticContact CZ3-CE1 3.87Å; W254-F312 HydrophobicContact CZ3-CE1 3.87Å; S285-F312 WeakPolarHBondContact OG-CZ 3.12Å; D289-F312 HydrophobicContact CB-CE2 4.25Å; D289-F312 WeakPolarHBondContact OD2-CD2 2.94Å; L292-F312 HydrophobicContact CB-CD2 3.98Å; L292-F312 HydrophobicContact CB-CE2 4.42Å; L292-F312 HydrophobicContact CD1-CB 3.91Å; L292-F312 HydrophobicContact CD1-CD2 4.15Å; L292-F312 HydrophobicContact CD1-CG 3.95Å; L292-F312 HydrophobicContact CD2-CD1 4.34Å; L292-F312 HydrophobicContact CD2-CD2 3.78Å; L292-F312 HydrophobicContact CD2-CE1 4.35Å; L292-F312 HydrophobicContact CD2-CE2 3.74Å; L292-F312 HydrophobicContact CD2-CG 4.09Å; L292-F312 HydrophobicContact CD2-CZ 4.06Å; L292-F312 HydrophobicContact CG-CD2 4.18Å; L292-F312 HydrophobicContact CG-CG 4.44Å; V308-F312 WeakPolarHBondContact O-CB 3.32Å; V308-F312 PolarHBondContact O-N 3.48Å; I309-F312 PolarHBondContact O-N 3.17Å; F312-R315 PolarHBondContact O-N 2.9Å; F312-F316 AromaticContact CD2-CD2 3.57Å; F312-F316 HydrophobicContact CD2-CD2 3.57Å; F312-F316 AromaticContact CD2-CE2 3.53Å; F312-F316 HydrophobicContact CD2-CE2 3.53Å; F312-F316 HydrophobicContact CE1-CD2 4.38Å; F312-F316 AromaticContact CE2-CD2 3.31Å; F312-F316 HydrophobicContact CE2-CD2 3.31Å; F312-F316 AromaticContact CE2-CE2 3.15Å; F312-F316 HydrophobicContact CE2-CE2 3.15Å; F312-F316 HydrophobicContact CE2-CG 4.33Å; F312-F316 HydrophobicContact CE2-CZ 4.05Å; F312-F316 HydrophobicContact CG-CD2 4.22Å; F312-F316 AromaticContact CZ-CD2 3.75Å; F312-F316 HydrophobicContact CZ-CD2 3.75Å; F312-F316 AromaticContact CZ-CE2 3.96Å; F312-F316 HydrophobicContact CZ-CE2 3.96Å; F312-F316 HydrophobicContact CZ-CG 4.4Å; F312-F316 WeakPolarHBondContact O-CD2 3.37Å; F312-F316 PolarHBondContact O-N 3.21Å; F312-W333 HydrophobicContact CE1-CB 3.79Å; F312-W333 HydrophobicContact CZ-CB 3.71Å
313	K	96.7	Very high	82.9	Confident	63 Å²	63	70.6 Å²	70.6	27%	0.274	39%	0.394	S	S	.	.	H	α-helix	trans	-56.3	-51.6	173.6	177.7	179	173.6	174.7	0	111.4	W254 L258 I309 S310 R315 F316 E317	W254-K313 HydrophobicContact CB-CB 3.97Å; W254-K313 HydrophobicContact CB-CG 4.47Å; W254-K313 HydrophobicContact CD2-CB 3.86Å; W254-K313 HydrophobicContact CD2-CG 3.9Å; W254-K313 HydrophobicContact CE3-CB 4.21Å; W254-K313 HydrophobicContact CG-CB 3.76Å; W254-K313 HydrophobicContact CG-CD 4.01Å; W254-K313 HydrophobicContact CG-CG 3.82Å; L258-K313 HydrophobicContact CD1-CD 4.23Å; I309-K313 WeakPolarHBondContact O-CB 3.25Å; I309-K313 PolarHBondContact O-N 3.33Å; S310-K313 WeakPolarHBondContact O-CB 3.15Å; S310-K313 PolarHBondContact O-N 3.07Å; K313-R315 PolarHBondContact O-N 3.29Å; K313-R315 VanDerWaalsContact O-N 3.13Å; K313-F316 PolarHBondContact O-N 3.43Å; K313-F316 VanDerWaalsContact O-N 3.16Å; K313-E317 WeakPolarHBondContact CE-OE1 3.27Å; K313-E317 WeakPolarHBondContact CE-OE2 2.92Å; K313-E317 HydrophobicContact CG-CB 4.06Å; K313-E317 IonicContact NZ-OE1 3.59Å; K313-E317 PolarHBondContact NZ-OE1 3.48Å; K313-E317 IonicContact NZ-OE2 2.74Å; K313-E317 WeakPolarHBondContact O-CA 3.46Å; K313-E317 WeakPolarHBondContact O-CB 3.43Å; K313-E317 PolarHBondContact O-N 3.32Å
314	S	94.6	Very high	80.5	Confident	69 Å²	69	71.4 Å²	71.4	48%	0.483	41%	0.412	S	S	.	.	H	α-helix	trans	-58.7	-29.3	-177.7	68.5	0	0	0	0	114.1	S310 E311	S310-S314 PolarHBondContact O-N 2.83Å; E311-S314 WeakPolarHBondContact CA-OG 2.86Å; E311-S314 PolarHBondContact O-OG 3.43Å; E311-S314 PolarHBondContact OE2-OG 3.44Å
315	R	92.6	Very high	78.4	Confident	91 Å²	91	70.5 Å²	70.5	34%	0.343	41%	0.408	S	S	.	.	H	α-helix	trans	-81.5	-30.7	179.4	-70.5	-176.4	-62.7	125.6	-5.5	114	D289 E311 F312 K313	D289-R315 IonicContact OD1-NH1 2.8Å; D289-R315 IonicContact OD1-NH2 2.85Å; D289-R315 IonicContact OD2-CZ 3.75Å; D289-R315 IonicContact OD2-NH1 3.7Å; D289-R315 PolarHBondContact OD2-NH1 2.99Å; D289-R315 IonicContact OD2-NH2 3.43Å; D289-R315 PolarHBondContact OD2-NH2 2.96Å; E311-R315 WeakPolarHBondContact O-CG 3.3Å; E311-R315 PolarHBondContact O-N 2.83Å; E311-R315 PolarHBondContact O-NE 2.82Å; F312-R315 PolarHBondContact O-N 2.9Å; K313-R315 PolarHBondContact O-N 3.29Å; K313-R315 VanDerWaalsContact O-N 3.13Å
316	F	90	Very high	75.8	Confident	44 Å²	44	75.4 Å²	75.4	19%	0.193	44%	0.44	C	S	.	.	H	α-helix	trans	-113.8	-16.7	-172.9	-70.6	-79.3	0	0	0	114.1	W254 D289 F312 K313 V318 H332 W333	W254-F316 HydrophobicContact CH2-CB 3.86Å; W254-F316 HydrophobicContact CZ3-CB 3.69Å; D289-F316 WeakPolarHBondContact OD2-CE2 3.34Å; F312-F316 AromaticContact CD2-CD2 3.57Å; F312-F316 HydrophobicContact CD2-CD2 3.57Å; F312-F316 AromaticContact CD2-CE2 3.53Å; F312-F316 HydrophobicContact CD2-CE2 3.53Å; F312-F316 HydrophobicContact CE1-CD2 4.38Å; F312-F316 AromaticContact CE2-CD2 3.31Å; F312-F316 HydrophobicContact CE2-CD2 3.31Å; F312-F316 AromaticContact CE2-CE2 3.15Å; F312-F316 HydrophobicContact CE2-CE2 3.15Å; F312-F316 HydrophobicContact CE2-CG 4.33Å; F312-F316 HydrophobicContact CE2-CZ 4.05Å; F312-F316 HydrophobicContact CG-CD2 4.22Å; F312-F316 AromaticContact CZ-CD2 3.75Å; F312-F316 HydrophobicContact CZ-CD2 3.75Å; F312-F316 AromaticContact CZ-CE2 3.96Å; F312-F316 HydrophobicContact CZ-CE2 3.96Å; F312-F316 HydrophobicContact CZ-CG 4.4Å; F312-F316 WeakPolarHBondContact O-CD2 3.37Å; F312-F316 PolarHBondContact O-N 3.21Å; K313-F316 PolarHBondContact O-N 3.43Å; K313-F316 VanDerWaalsContact O-N 3.16Å; F316-V318 VanDerWaalsContact C-N 3.28Å; F316-V318 PolarHBondContact O-N 2.95Å; F316-H332 AromaticContact CE1-CE1 3.75Å; F316-H332 AromaticContact CE1-NE2 3.57Å; F316-H332 AromaticContact CZ-CE1 3.72Å; F316-H332 AromaticContact CZ-NE2 3.86Å; F316-W333 HydrophobicContact CB-CD2 4.14Å; F316-W333 HydrophobicContact CB-CE3 4.4Å; F316-W333 HydrophobicContact CB-CG 4.21Å; F316-W333 AromaticContact CD1-CD2 3.95Å; F316-W333 HydrophobicContact CD1-CD2 3.95Å; F316-W333 AromaticContact CD1-CE3 3.35Å; F316-W333 HydrophobicContact CD1-CE3 3.35Å; F316-W333 HydrophobicContact CD1-CH2 4.24Å; F316-W333 AromaticContact CD1-CZ3 3.53Å; F316-W333 HydrophobicContact CD1-CZ3 3.53Å; F316-W333 AromaticContact CE1-CE3 3.82Å; F316-W333 HydrophobicContact CE1-CE3 3.82Å; F316-W333 AromaticContact CE1-CZ3 3.86Å; F316-W333 HydrophobicContact CE1-CZ3 3.86Å; F316-W333 HydrophobicContact CG-CD2 4.3Å; F316-W333 HydrophobicContact CG-CE3 4.08Å
317	E	86.7	Confident	73.2	Confident	102 Å²	102	79.4 Å²	79.4	48%	0.477	47%	0.47	S	S	.	.			trans	-73.6	84.2	168.2	-171.6	178.7	-126.5	0	0	108.5	W254 K313	W254-E317 HydrophobicContact CH2-CB 4.46Å; W254-E317 HydrophobicContact CZ2-CB 4.05Å; K313-E317 WeakPolarHBondContact CE-OE1 3.27Å; K313-E317 WeakPolarHBondContact CE-OE2 2.92Å; K313-E317 HydrophobicContact CG-CB 4.06Å; K313-E317 IonicContact NZ-OE1 3.59Å; K313-E317 PolarHBondContact NZ-OE1 3.48Å; K313-E317 IonicContact NZ-OE2 2.74Å; K313-E317 WeakPolarHBondContact O-CA 3.46Å; K313-E317 WeakPolarHBondContact O-CB 3.43Å; K313-E317 PolarHBondContact O-N 3.32Å
318	V	68.9	Low	71.2	Confident	100 Å²	100	80.1 Å²	80.1	61%	0.606	48%	0.481	S	S	*	.			trans	-83.3	141.9	171	-169.3	0	0	0	0	108.5	F316 F320	F316-V318 VanDerWaalsContact C-N 3.28Å; F316-V318 PolarHBondContact O-N 2.95Å; V318-F320 VanDerWaalsContact C-N 3.34Å; V318-F320 PolarHBondContact O-N 2.97Å
319	P	50.6	Low	69.9	Low	120 Å²	120	85.6 Å²	85.6	78%	0.779	51%	0.507	S	S	*	.			trans	-61.9	99.5	159.4	-13.1	27.1	0	0	0	107.5	A321	P319-A321 PolarHBondContact O-N 2.88Å
320	F	49.4	Very low	69.2	Low	126 Å²	126	88.5 Å²	88.5	55%	0.553	52%	0.522	S	S	*	.			trans	-62.8	101.6	-178.9	-133.6	-83.5	0	0	0	108.5	V318 T322 G323 I325	V318-F320 VanDerWaalsContact C-N 3.34Å; V318-F320 PolarHBondContact O-N 2.97Å; F320-T322 VanDerWaalsContact C-N 3.32Å; F320-T322 PolarHBondContact O-N 3.39Å; F320-G323 WeakPolarHBondContact CD1-O 3.4Å; F320-G323 WeakPolarHBondContact CE1-O 3.27Å; F320-I325 HydrophobicContact CE1-CG1 4.49Å; F320-I325 HydrophobicContact CE2-CG1 4.2Å; F320-I325 HydrophobicContact CZ-CG1 3.96Å
321	A	42.6	Very low	68.8	Low	86 Å²	86	87.6 Å²	87.6	71%	0.711	52%	0.515	S	S	*	.			trans	-66	93.7	167.7	0	0	0	0	0	107.8	P319 G323	P319-A321 PolarHBondContact O-N 2.88Å; A321-G323 PolarHBondContact O-N 3.4Å
322	T	46.4	Very low	68.6	Low	154 Å²	154	85 Å²	85	95%	0.945	50%	0.503	S	S	*	.	S	Bend	trans	40.5	16.8	157.4	50.8	0	0	0	0	120.6	F320	F320-T322 VanDerWaalsContact C-N 3.32Å; F320-T322 PolarHBondContact O-N 3.39Å
323	G	44.1	Very low	68.4	Low	40 Å²	40	87.7 Å²	87.7	41%	0.412	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-91.9	130.2	167.4	0	0	0	0	0	110.1	F320 A321 I325	F320-G323 WeakPolarHBondContact CD1-O 3.4Å; F320-G323 WeakPolarHBondContact CE1-O 3.27Å; A321-G323 PolarHBondContact O-N 3.4Å; G323-I325 PolarHBondContact O-N 3.04Å
324	A	47.9	Very low	68.3	Low	92 Å²	92	87 Å²	87	76%	0.76	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-61.8	137.6	167.4	0	0	0	0	0	109.5	P326	A324-P326 VanDerWaalsContact O-CD 3.27Å; A324-P326 WeakPolarHBondContact O-CD 3.45Å
325	I	52.5	Low	68.2	Low	57 Å²	57	83.8 Å²	83.8	29%	0.292	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-58.9	121.7	168.4	-62	173.9	0	0	0	106.9	F320 G323 V327 Y334	F320-I325 HydrophobicContact CE1-CG1 4.49Å; F320-I325 HydrophobicContact CE2-CG1 4.2Å; F320-I325 HydrophobicContact CZ-CG1 3.96Å; G323-I325 PolarHBondContact O-N 3.04Å; I325-V327 PolarHBondContact O-N 3.19Å; I325-Y334 HydrophobicContact CD1-CE2 4.39Å
326	P	43.8	Very low	68	Low	103 Å²	103	81.6 Å²	81.6	67%	0.669	48%	0.481	S	S	*	.			trans	-66.6	100.9	176.3	-17.1	30.6	0	0	0	109.5	A324 I329	A324-P326 VanDerWaalsContact O-CD 3.27Å; A324-P326 WeakPolarHBondContact O-CD 3.45Å; P326-I329 PolarHBondContact O-N 3.41Å
327	V	44.7	Very low	67.6	Low	137 Å²	137	80.6 Å²	80.6	83%	0.83	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	124.9	159.9	-164.8	0	0	0	0	105.5	I325	I325-V327 PolarHBondContact O-N 3.19Å
328	P	56.2	Low	67	Low	117 Å²	117	76.6 Å²	76.6	76%	0.76	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	cis	-115.4	-2.2	34.7	24.1	-5.7	0	0	0	117.2	L330	P328-L330 PolarHBondContact O-N 3.46Å
329	I	71.5	Confident	67.2	Low	145 Å²	145	76 Å²	76	74%	0.744	45%	0.45	S	S	*	.			trans	-93.4	100.4	-173.8	-54.7	178.1	0	0	0	109.6	P326	P326-I329 PolarHBondContact O-N 3.41Å
330	L	82.7	Confident	67.6	Low	61 Å²	61	74 Å²	74	32%	0.319	43%	0.43	S	S	.	.			trans	-65.7	132.6	171	-73	172.8	0	0	0	110	I250 P328 Q336	I250-L330 HydrophobicContact CD1-CD1 4.21Å; I250-L330 HydrophobicContact CG2-CD1 3.84Å; P328-L330 PolarHBondContact O-N 3.46Å; L330-Q336 HydrophobicContact CB-CG 4.29Å; L330-Q336 HydrophobicContact CD1-CG 4.2Å; L330-Q336 PolarHBondContact O-NE2 2.84Å
331	P	90.2	Very high	67.3	Low	29 Å²	29	73.8 Å²	73.8	19%	0.188	43%	0.434	C	S	.	.			trans	-55.8	148.3	171.9	-23.3	32.2	0	0	0	111.7	W333 Y334 Q336	P331-W333 HydrophobicContact CB-CD2 3.52Å; P331-W333 HydrophobicContact CB-CE3 3.75Å; P331-W333 HydrophobicContact CB-CG 4.23Å; P331-W333 HydrophobicContact CB-CH2 3.59Å; P331-W333 HydrophobicContact CB-CZ2 3.33Å; P331-W333 HydrophobicContact CB-CZ3 3.79Å; P331-W333 HydrophobicContact CG-CH2 4.24Å; P331-W333 HydrophobicContact CG-CZ2 3.73Å; P331-W333 PolarHBondContact O-N 3.37Å; P331-Y334 HydrophobicContact CB-CD2 4.09Å; P331-Y334 HydrophobicContact CG-CD2 4.08Å; P331-Y334 HydrophobicContact CG-CE2 4.18Å; P331-Y334 PolarHBondContact O-N 2.79Å; P331-Q336 PolarHBondContact O-NE2 2.97Å
332	H	91.5	Very high	67.1	Low	48 Å²	48	72.5 Å²	72.5	22%	0.222	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-20.9	-174	68.4	77.7	0	0	0	113.8	K284 S285 A288 F316 Y334	K284-H332 HydrophobicContact CB-CB 4.41Å; S285-H332 PolarHBondContact OG-ND1 3.17Å; S285-H332 PolarHBondContact OG-O 3.5Å; A288-H332 HydrophobicContact CB-CB 4.18Å; F316-H332 AromaticContact CE1-CE1 3.75Å; F316-H332 AromaticContact CE1-NE2 3.57Å; F316-H332 AromaticContact CZ-CE1 3.72Å; F316-H332 AromaticContact CZ-NE2 3.86Å; H332-Y334 VanDerWaalsContact C-N 3.28Å; H332-Y334 PolarHBondContact O-N 2.71Å
333	W	93.8	Very high	66.7	Low	57 Å²	57	72.5 Å²	72.5	22%	0.216	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	4.4	176.7	60.9	84.1	0	0	0	114.7	P252 V253 W254 S285 F312 F316 P331	P252-W333 CarbonylContact C-O 3.38Å; P252-W333 VanDerWaalsContact CA-O 3.23Å; P252-W333 WeakPolarHBondContact CA-O 3.38Å; V253-W333 PolarHBondContact N-O 3.03Å; W254-W333 HydrophobicContact CE3-CB 4.49Å; W254-W333 HydrophobicContact CH2-CB 4.24Å; W254-W333 AromaticContact CH2-CD1 3.44Å; W254-W333 VanDerWaalsContact CH2-CD1 3.44Å; W254-W333 AromaticContact CH2-CG 3.98Å; W254-W333 HydrophobicContact CH2-CG 3.98Å; W254-W333 HydrophobicContact CZ3-CB 3.66Å; W254-W333 AromaticContact CZ3-CD1 3.79Å; W254-W333 AromaticContact CZ3-CG 3.9Å; W254-W333 HydrophobicContact CZ3-CG 3.9Å; S285-W333 WeakPolarHBondContact OG-CA 3.42Å; F312-W333 HydrophobicContact CE1-CB 3.79Å; F312-W333 HydrophobicContact CZ-CB 3.71Å; F316-W333 HydrophobicContact CB-CD2 4.14Å; F316-W333 HydrophobicContact CB-CE3 4.4Å; F316-W333 HydrophobicContact CB-CG 4.21Å; F316-W333 AromaticContact CD1-CD2 3.95Å; F316-W333 HydrophobicContact CD1-CD2 3.95Å; F316-W333 AromaticContact CD1-CE3 3.35Å; F316-W333 HydrophobicContact CD1-CE3 3.35Å; F316-W333 HydrophobicContact CD1-CH2 4.24Å; F316-W333 AromaticContact CD1-CZ3 3.53Å; F316-W333 HydrophobicContact CD1-CZ3 3.53Å; F316-W333 AromaticContact CE1-CE3 3.82Å; F316-W333 HydrophobicContact CE1-CE3 3.82Å; F316-W333 AromaticContact CE1-CZ3 3.86Å; F316-W333 HydrophobicContact CE1-CZ3 3.86Å; F316-W333 HydrophobicContact CG-CD2 4.3Å; F316-W333 HydrophobicContact CG-CE3 4.08Å; P331-W333 HydrophobicContact CB-CD2 3.52Å; P331-W333 HydrophobicContact CB-CE3 3.75Å; P331-W333 HydrophobicContact CB-CG 4.23Å; P331-W333 HydrophobicContact CB-CH2 3.59Å; P331-W333 HydrophobicContact CB-CZ2 3.33Å; P331-W333 HydrophobicContact CB-CZ3 3.79Å; P331-W333 HydrophobicContact CG-CH2 4.24Å; P331-W333 HydrophobicContact CG-CZ2 3.73Å; P331-W333 PolarHBondContact O-N 3.37Å
334	Y	93.9	Very high	66.5	Low	48 Å²	48	77.9 Å²	77.9	19%	0.188	43%	0.429	C	S	.	.	B	Isolated β-bridge	trans	-92.7	149.2	166.1	-79.5	-97.3	0	0	0	111.5	I250 P252 I325 P331 H332 Q336	I250-Y334 VanDerWaalsContact O-CD1 3.3Å; I250-Y334 WeakPolarHBondContact O-CD1 3.24Å; P252-Y334 HydrophobicContact CG-CD1 4.32Å; P252-Y334 HydrophobicContact CG-CE1 3.82Å; I325-Y334 HydrophobicContact CD1-CE2 4.39Å; P331-Y334 HydrophobicContact CB-CD2 4.09Å; P331-Y334 HydrophobicContact CG-CD2 4.08Å; P331-Y334 HydrophobicContact CG-CE2 4.18Å; P331-Y334 PolarHBondContact O-N 2.79Å; H332-Y334 VanDerWaalsContact C-N 3.28Å; H332-Y334 PolarHBondContact O-N 2.71Å; Y334-Q336 WeakPolarHBondContact O-CG 3.5Å; Y334-Q336 PolarHBondContact O-N 3.5Å
335	C	93	Very high	66.2	Low	2 Å²	2	74.6 Å²	74.6	1%	0.014	40%	0.404	C	S	.	.			trans	-56.6	127.2	170	-80.8	0	0	0	0	109.8	C241 N242 I250 P251	C241-C335 PolarHBondContact O-SG 3.15Å; C241-C335 VanDerWaalsContact O-SG 3.41Å; N242-C335 HydrophobicContact CB-CB 3.91Å; I250-C335 HydrophobicContact CG2-CB 4.43Å; I250-C335 WeakPolarHBondContact CG2-O 3.28Å; P251-C335 WeakPolarHBondContact O-CB 3.35Å; P251-C335 PolarHBondContact O-N 3.12Å
336	Q	88.2	Confident	65.6	Low	46 Å²	46	75.1 Å²	75.1	22%	0.215	41%	0.412	C	S	.	.			trans	-142.3	133.6	-178.5	-66.8	178.1	33.5	0	0	109.5	C241 K284 L330 P331 Y334	C241-Q336 WeakPolarHBondContact CB-O 3.47Å; K284-Q336 HydrophobicContact CG-CB 4.34Å; L330-Q336 HydrophobicContact CB-CG 4.29Å; L330-Q336 HydrophobicContact CD1-CG 4.2Å; L330-Q336 PolarHBondContact O-NE2 2.84Å; P331-Q336 PolarHBondContact O-NE2 2.97Å; Y334-Q336 WeakPolarHBondContact O-CG 3.5Å; Y334-Q336 PolarHBondContact O-N 3.5Å
337	P	81.3	Confident	65.6	Low	23 Å²	23	75.7 Å²	75.7	15%	0.149	41%	0.408	C	S	.	.			trans	-65.9	150.5	172.3	28.9	-35.5	0	0	0	111.3	L216 F339	L216-P337 HydrophobicContact CB-CB 3.74Å; L216-P337 HydrophobicContact CB-CG 4.36Å; P337-F339 HydrophobicContact CB-CE1 4.38Å; P337-F339 HydrophobicContact CB-CZ 4.22Å; P337-F339 HydrophobicContact CG-CD2 4.41Å; P337-F339 HydrophobicContact CG-CE1 3.8Å; P337-F339 HydrophobicContact CG-CE2 3.61Å; P337-F339 HydrophobicContact CG-CZ 3.22Å; P337-F339 PolarHBondContact O-N 2.95Å
338	D	74.6	Confident	65.8	Low	18 Å²	18	75.4 Å²	75.4	10%	0.096	40%	0.398	C	S	.	.			trans	-83.8	97.2	169.2	-164.4	30.6	0	0	0	109.1	H283 K284 H340 K349	H283-D338 IonicContact CE1-OD1 3.13Å; K284-D338 IonicContact NZ-OD1 3.67Å; D338-H340 PolarHBondContact O-N 2.82Å; D338-H340 IonicContact OD2-CE1 2.67Å; D338-K349 IonicContact OD1-NZ 3.75Å; D338-K349 IonicContact OD2-NZ 3.59Å; D338-K349 PolarHBondContact OD2-NZ 3.49Å
339	F	71.6	Confident	65.5	Low	86 Å²	86	73.3 Å²	73.3	38%	0.377	38%	0.376	S	S	.	.			trans	-69.8	124.7	172	-61.9	-67	0	0	0	109.3	L216 P337	L216-F339 HydrophobicContact CB-CE1 4.46Å; L216-F339 HydrophobicContact CD1-CD1 3.85Å; L216-F339 HydrophobicContact CD1-CE1 4.04Å; P337-F339 HydrophobicContact CB-CE1 4.38Å; P337-F339 HydrophobicContact CB-CZ 4.22Å; P337-F339 HydrophobicContact CG-CD2 4.41Å; P337-F339 HydrophobicContact CG-CE1 3.8Å; P337-F339 HydrophobicContact CG-CE2 3.61Å; P337-F339 HydrophobicContact CG-CZ 3.22Å; P337-F339 PolarHBondContact O-N 2.95Å
340	H	59.6	Low	64.8	Low	79 Å²	79	69.3 Å²	69.3	37%	0.366	36%	0.359	S	S	.	.			trans	-84.1	-0.1	174.5	-69.5	-61.6	0	0	0	113.1	D338 S342	D338-H340 PolarHBondContact O-N 2.82Å; D338-H340 IonicContact OD2-CE1 2.67Å; H340-S342 VanDerWaalsContact C-N 3.3Å; H340-S342 PolarHBondContact O-N 2.89Å
341	D	43.6	Very low	64	Low	121 Å²	121	70.8 Å²	70.8	65%	0.647	37%	0.367	S	S	*	.			trans	-84.4	69.2	179.3	-63.8	-24.9	0	0	0	110.4
342	S	39.2	Very low	62.8	Low	59 Å²	59	70.6 Å²	70.6	41%	0.413	37%	0.368	S	S	.	.			trans	-178.8	134.9	154.9	46.3	0	0	0	0	110.3	H340 E344 G345	H340-S342 VanDerWaalsContact C-N 3.3Å; H340-S342 PolarHBondContact O-N 2.89Å; S342-E344 PolarHBondContact O-N 3.28Å; S342-E344 VanDerWaalsContact O-N 3.17Å; S342-G345 PolarHBondContact O-N 3.32Å
343	N	36.6	Very low	61.6	Low	154 Å²	154	76.1 Å²	76.1	82%	0.824	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.8	168.3	-80.4	-21.7	0	0	0	112.4	G345 C346	N343-G345 PolarHBondContact O-N 3.46Å; N343-C346 WeakPolarHBondContact O-CB 3.16Å; N343-C346 PolarHBondContact O-N 3.21Å
344	E	40.3	Very low	60.5	Low	154 Å²	154	77.9 Å²	77.9	72%	0.72	40%	0.402	S	S	*	.	H	α-helix	trans	-61.4	-41.1	177.9	-67.1	174.8	168.3	0	0	112.3	S342 C346 I347	S342-E344 PolarHBondContact O-N 3.28Å; S342-E344 VanDerWaalsContact O-N 3.17Å; E344-C346 PolarHBondContact O-N 2.96Å; E344-C346 VanDerWaalsContact O-N 3.13Å; E344-I347 PolarHBondContact O-N 3.46Å
345	G	41.1	Very low	59.6	Low	22 Å²	22	78.8 Å²	78.8	23%	0.227	41%	0.408	C	S	.	.	H	α-helix	trans	-66.4	-14.7	177.8	0	0	0	0	0	114.3	S342 N343 K349	S342-G345 PolarHBondContact O-N 3.32Å; N343-G345 PolarHBondContact O-N 3.46Å; G345-K349 VanDerWaalsContact O-CB 3.25Å; G345-K349 WeakPolarHBondContact O-CB 3.27Å; G345-K349 WeakPolarHBondContact O-CD 3.46Å; G345-K349 WeakPolarHBondContact O-CG 3.39Å; G345-K349 PolarHBondContact O-N 3.36Å
346	C	40.4	Very low	58.6	Low	68 Å²	68	82.9 Å²	82.9	46%	0.459	43%	0.429	S	S	.	.	H	α-helix	trans	-75	-32.4	177.7	-160.4	0	0	0	0	111.8	N343 E344 T350	N343-C346 WeakPolarHBondContact O-CB 3.16Å; N343-C346 PolarHBondContact O-N 3.21Å; E344-C346 PolarHBondContact O-N 2.96Å; E344-C346 VanDerWaalsContact O-N 3.13Å; C346-T350 WeakPolarHBondContact O-CB 3.3Å; C346-T350 PolarHBondContact O-N 2.98Å; C346-T350 VanDerWaalsContact O-N 3.16Å; C346-T350 PolarHBondContact O-OG1 3.06Å
347	I	44.1	Very low	58	Low	116 Å²	116	83.3 Å²	83.3	60%	0.595	44%	0.441	S	S	*	.	H	α-helix	trans	-71.8	-53.5	-179.3	-60.3	174.8	0	0	0	109.4	E344 K349 T350 D351	E344-I347 PolarHBondContact O-N 3.46Å; I347-K349 VanDerWaalsContact C-N 3.31Å; I347-K349 PolarHBondContact O-N 3.41Å; I347-T350 WeakPolarHBondContact O-CA 3.43Å; I347-T350 WeakPolarHBondContact O-CB 3.21Å; I347-T350 PolarHBondContact O-N 3.46Å; I347-D351 PolarHBondContact O-N 2.94Å
348	E	49	Very low	58	Low	131 Å²	131	88.5 Å²	88.5	61%	0.612	46%	0.457	S	S	*	.	H	α-helix	trans	-59.1	-39.5	178	-68.4	-175.9	164.8	0	0	112.9	T350 D351 A352	E348-T350 VanDerWaalsContact C-N 3.27Å; E348-T350 PolarHBondContact O-N 3.13Å; E348-D351 PolarHBondContact O-N 3.2Å; E348-A352 VanDerWaalsContact O-CB 3.27Å; E348-A352 WeakPolarHBondContact O-CB 3.48Å; E348-A352 PolarHBondContact O-N 2.95Å
349	K	49.5	Very low	58.3	Low	72 Å²	72	91.4 Å²	91.4	31%	0.313	47%	0.472	S	S	.	.	H	α-helix	trans	-65.9	-30.8	176.1	-77.5	174.7	-179.4	172.6	0	112.4	D338 G345 I347 K353	D338-K349 IonicContact OD1-NZ 3.75Å; D338-K349 IonicContact OD2-NZ 3.59Å; D338-K349 PolarHBondContact OD2-NZ 3.49Å; G345-K349 VanDerWaalsContact O-CB 3.25Å; G345-K349 WeakPolarHBondContact O-CB 3.27Å; G345-K349 WeakPolarHBondContact O-CD 3.46Å; G345-K349 WeakPolarHBondContact O-CG 3.39Å; G345-K349 PolarHBondContact O-N 3.36Å; I347-K349 VanDerWaalsContact C-N 3.31Å; I347-K349 PolarHBondContact O-N 3.41Å; K349-K353 WeakPolarHBondContact O-CB 3.46Å; K349-K353 PolarHBondContact O-N 2.74Å; K349-K353 VanDerWaalsContact O-N 3.12Å
350	T	56.7	Low	58.8	Low	62 Å²	62	95.4 Å²	95.4	38%	0.38	49%	0.485	S	S	.	.	H	α-helix	trans	-72.6	-48.4	177.8	-54.2	0	0	0	0	109.7	C346 I347 E348 A352 K353 E354	C346-T350 WeakPolarHBondContact O-CB 3.3Å; C346-T350 PolarHBondContact O-N 2.98Å; C346-T350 VanDerWaalsContact O-N 3.16Å; C346-T350 PolarHBondContact O-OG1 3.06Å; I347-T350 WeakPolarHBondContact O-CA 3.43Å; I347-T350 WeakPolarHBondContact O-CB 3.21Å; I347-T350 PolarHBondContact O-N 3.46Å; E348-T350 VanDerWaalsContact C-N 3.27Å; E348-T350 PolarHBondContact O-N 3.13Å; T350-A352 VanDerWaalsContact C-N 3.35Å; T350-A352 PolarHBondContact O-N 3.39Å; T350-K353 PolarHBondContact O-N 3.36Å; T350-K353 VanDerWaalsContact O-N 3.15Å; T350-E354 WeakPolarHBondContact O-CB 3.06Å; T350-E354 WeakPolarHBondContact O-CG 3.47Å; T350-E354 PolarHBondContact O-N 2.82Å
351	D	66.8	Low	59.9	Low	91 Å²	91	96.7 Å²	96.7	49%	0.487	49%	0.491	S	S	.	.	H	α-helix	trans	-59.2	-44.9	177.7	-67.3	-19.8	0	0	0	112.1	I347 E348 K353 E354 E355	I347-D351 PolarHBondContact O-N 2.94Å; E348-D351 PolarHBondContact O-N 3.2Å; D351-K353 PolarHBondContact O-N 2.84Å; D351-E354 PolarHBondContact O-N 3.43Å; D351-E355 VanDerWaalsContact O-CB 3.27Å; D351-E355 WeakPolarHBondContact O-CB 3.28Å; D351-E355 PolarHBondContact O-N 2.89Å
352	A	64	Low	61.9	Low	25 Å²	25	93.6 Å²	93.6	21%	0.207	48%	0.483	C	S	.	.	H	α-helix	trans	-62.8	-40.9	176.2	0	0	0	0	0	113.8	Y287 E348 T350 E355 L356	Y287-A352 HydrophobicContact CD1-CB 4.24Å; Y287-A352 HydrophobicContact CE1-CB 3.36Å; E348-A352 VanDerWaalsContact O-CB 3.27Å; E348-A352 WeakPolarHBondContact O-CB 3.48Å; E348-A352 PolarHBondContact O-N 2.95Å; T350-A352 VanDerWaalsContact C-N 3.35Å; T350-A352 PolarHBondContact O-N 3.39Å; A352-E355 PolarHBondContact O-N 2.8Å; A352-L356 WeakPolarHBondContact O-CB 3.35Å; A352-L356 PolarHBondContact O-N 3.49Å
353	K	65.4	Low	64.2	Low	164 Å²	164	96.4 Å²	96.4	71%	0.713	49%	0.487	S	S	*	.	H	α-helix	trans	-71	-39.5	179.9	-175.7	-177.6	176.7	-170.4	0	110.8	K349 T350 D351 A357	K349-K353 WeakPolarHBondContact O-CB 3.46Å; K349-K353 PolarHBondContact O-N 2.74Å; K349-K353 VanDerWaalsContact O-N 3.12Å; T350-K353 PolarHBondContact O-N 3.36Å; T350-K353 VanDerWaalsContact O-N 3.15Å; D351-K353 PolarHBondContact O-N 2.84Å; K353-A357 WeakPolarHBondContact O-CB 3.42Å; K353-A357 PolarHBondContact O-N 2.71Å
354	E	72	Confident	66.6	Low	95 Å²	95	94.3 Å²	94.3	44%	0.444	47%	0.471	S	S	.	.	H	α-helix	trans	-63.1	-43.5	171.9	-74.1	-174.7	-175.6	0	0	111.3	T350 D351 A357 R358	T350-E354 WeakPolarHBondContact O-CB 3.06Å; T350-E354 WeakPolarHBondContact O-CG 3.47Å; T350-E354 PolarHBondContact O-N 2.82Å; D351-E354 PolarHBondContact O-N 3.43Å; E354-A357 WeakPolarHBondContact O-CB 3.22Å; E354-A357 PolarHBondContact O-N 2.85Å; E354-R358 WeakPolarHBondContact O-CG 3.41Å; E354-R358 PolarHBondContact O-N 2.87Å; E354-R358 IonicContact OE2-NH1 2.68Å
355	E	75.1	Confident	68.9	Low	67 Å²	67	89.4 Å²	89.4	31%	0.313	46%	0.456	S	S	.	.	H	α-helix	trans	-64.7	-44.7	177.6	-173	57.7	-160.8	0	0	111.9	D351 A352 A357 R358 L359	D351-E355 VanDerWaalsContact O-CB 3.27Å; D351-E355 WeakPolarHBondContact O-CB 3.28Å; D351-E355 PolarHBondContact O-N 2.89Å; A352-E355 PolarHBondContact O-N 2.8Å; E355-A357 VanDerWaalsContact C-N 3.27Å; E355-A357 PolarHBondContact O-N 3.06Å; E355-R358 PolarHBondContact O-N 3.31Å; E355-R358 IonicContact OE2-CZ 3.88Å; E355-R358 IonicContact OE2-NE 3.73Å; E355-R358 PolarHBondContact OE2-NE 3.42Å; E355-R358 IonicContact OE2-NH2 2.83Å; E355-R358 PolarHBondContact OE2-NH2 3.35Å; E355-L359 HydrophobicContact CG-CD1 4.33Å; E355-L359 WeakPolarHBondContact O-CB 3.44Å; E355-L359 VanDerWaalsContact O-CG 3.32Å; E355-L359 WeakPolarHBondContact O-CG 3.41Å; E355-L359 PolarHBondContact O-N 3Å
356	L	72.4	Confident	71.3	Confident	87 Å²	87	93.4 Å²	93.4	46%	0.455	47%	0.469	S	S	.	.	H	α-helix	trans	-61.8	-36.7	174	-176.7	63.1	0	0	0	111.9	A352 R360	A352-L356 WeakPolarHBondContact O-CB 3.35Å; A352-L356 PolarHBondContact O-N 3.49Å; L356-R360 WeakPolarHBondContact O-CB 3.27Å; L356-R360 VanDerWaalsContact O-CG 3.25Å; L356-R360 WeakPolarHBondContact O-CG 3.41Å; L356-R360 PolarHBondContact O-N 3.27Å
357	A	74.3	Confident	73.7	Confident	55 Å²	55	91.3 Å²	91.3	46%	0.455	45%	0.453	S	S	.	.	H	α-helix	trans	-66.9	-43.6	174.5	0	0	0	0	0	111.5	K353 E354 E355 R360 E361	K353-A357 WeakPolarHBondContact O-CB 3.42Å; K353-A357 PolarHBondContact O-N 2.71Å; E354-A357 WeakPolarHBondContact O-CB 3.22Å; E354-A357 PolarHBondContact O-N 2.85Å; E355-A357 VanDerWaalsContact C-N 3.27Å; E355-A357 PolarHBondContact O-N 3.06Å; A357-R360 PolarHBondContact O-N 3.44Å; A357-E361 PolarHBondContact O-N 2.83Å
358	R	82.3	Confident	76	Confident	133 Å²	133	90.5 Å²	90.5	50%	0.502	45%	0.447	S	S	.	.	H	α-helix	trans	-58.9	-47.5	173.9	-75.5	-171.1	-73.7	-104.1	2.4	111.4	E354 E355 R360 E361 A362	E354-R358 WeakPolarHBondContact O-CG 3.41Å; E354-R358 PolarHBondContact O-N 2.87Å; E354-R358 IonicContact OE2-NH1 2.68Å; E355-R358 PolarHBondContact O-N 3.31Å; E355-R358 IonicContact OE2-CZ 3.88Å; E355-R358 IonicContact OE2-NE 3.73Å; E355-R358 PolarHBondContact OE2-NE 3.42Å; E355-R358 IonicContact OE2-NH2 2.83Å; E355-R358 PolarHBondContact OE2-NH2 3.35Å; R358-R360 VanDerWaalsContact C-N 3.35Å; R358-R360 PolarHBondContact O-N 3.37Å; R358-E361 PolarHBondContact O-N 2.93Å; R358-A362 VanDerWaalsContact O-CB 3.3Å; R358-A362 WeakPolarHBondContact O-CB 3.4Å; R358-A362 PolarHBondContact O-N 3.47Å
359	L	80.9	Confident	78.1	Confident	78 Å²	78	91.2 Å²	91.2	41%	0.408	45%	0.448	S	S	.	.	H	α-helix	trans	-63.1	-38.7	177.2	-69.7	172.5	0	0	0	112.4	E355 K363	E355-L359 HydrophobicContact CG-CD1 4.33Å; E355-L359 WeakPolarHBondContact O-CB 3.44Å; E355-L359 VanDerWaalsContact O-CG 3.32Å; E355-L359 WeakPolarHBondContact O-CG 3.41Å; E355-L359 PolarHBondContact O-N 3Å; L359-K363 VanDerWaalsContact O-CB 3.27Å; L359-K363 WeakPolarHBondContact O-CB 3.41Å; L359-K363 PolarHBondContact O-N 2.96Å
360	R	81.4	Confident	80.1	Confident	171 Å²	171	90.8 Å²	90.8	65%	0.645	45%	0.445	S	S	*	.	H	α-helix	trans	-65.9	-42.7	175.5	-78.8	174.5	177.3	178.9	1	112	L356 A357 R358 K363 K364	L356-R360 WeakPolarHBondContact O-CB 3.27Å; L356-R360 VanDerWaalsContact O-CG 3.25Å; L356-R360 WeakPolarHBondContact O-CG 3.41Å; L356-R360 PolarHBondContact O-N 3.27Å; A357-R360 PolarHBondContact O-N 3.44Å; R358-R360 VanDerWaalsContact C-N 3.35Å; R358-R360 PolarHBondContact O-N 3.37Å; R360-K363 PolarHBondContact O-N 2.69Å; R360-K364 WeakPolarHBondContact O-CB 3.25Å; R360-K364 PolarHBondContact O-N 2.72Å
361	E	82.9	Confident	81.9	Confident	105 Å²	105	88.1 Å²	88.1	49%	0.491	43%	0.43	S	S	.	.	H	α-helix	trans	-71.6	-39.8	179	-158.5	61.5	-153.2	0	0	111.4	A357 R358 K363 K364 A365	A357-E361 PolarHBondContact O-N 2.83Å; R358-E361 PolarHBondContact O-N 2.93Å; E361-K363 VanDerWaalsContact C-N 3.34Å; E361-K363 PolarHBondContact O-N 3.22Å; E361-K364 PolarHBondContact O-N 3.23Å; E361-K364 IonicContact OE1-NZ 3.41Å; E361-K364 PolarHBondContact OE1-NZ 3.04Å; E361-K364 IonicContact OE2-NZ 3.74Å; E361-K364 PolarHBondContact OE2-NZ 3.47Å; E361-A365 WeakPolarHBondContact O-CB 3.39Å; E361-A365 PolarHBondContact O-N 3.11Å
362	A	84.8	Confident	83.1	Confident	57 Å²	57	89.9 Å²	89.9	47%	0.471	44%	0.437	S	S	.	.	H	α-helix	trans	-58.2	-45.7	172.6	0	0	0	0	0	111.4	R358 K364 A365 E366	R358-A362 VanDerWaalsContact O-CB 3.3Å; R358-A362 WeakPolarHBondContact O-CB 3.4Å; R358-A362 PolarHBondContact O-N 3.47Å; A362-K364 PolarHBondContact O-N 3.09Å; A362-A365 PolarHBondContact O-N 2.86Å; A362-E366 WeakPolarHBondContact O-CB 3.49Å; A362-E366 PolarHBondContact O-N 3.39Å
363	K	87.7	Confident	84.5	Confident	117 Å²	117	94.7 Å²	94.7	51%	0.509	46%	0.459	S	S	.	.	H	α-helix	trans	-66.4	-36	177.2	-168.8	154.2	-170.3	164.2	0	112.7	L359 R360 E361 I367	L359-K363 VanDerWaalsContact O-CB 3.27Å; L359-K363 WeakPolarHBondContact O-CB 3.41Å; L359-K363 PolarHBondContact O-N 2.96Å; R360-K363 PolarHBondContact O-N 2.69Å; E361-K363 VanDerWaalsContact C-N 3.34Å; E361-K363 PolarHBondContact O-N 3.22Å; K363-I367 HydrophobicContact CG-CD1 4.28Å; K363-I367 WeakPolarHBondContact O-CD1 3.39Å; K363-I367 VanDerWaalsContact O-CG1 3.22Å; K363-I367 WeakPolarHBondContact O-CG1 3.43Å; K363-I367 PolarHBondContact O-N 3.36Å
364	K	87.7	Confident	85.8	Confident	110 Å²	110	90.8 Å²	90.8	48%	0.478	45%	0.446	S	S	.	.	H	α-helix	trans	-67.2	-42.5	174.6	-177.9	179	155.3	-138.5	0	111.2	R360 E361 A362 I367 Q368	R360-K364 WeakPolarHBondContact O-CB 3.25Å; R360-K364 PolarHBondContact O-N 2.72Å; E361-K364 PolarHBondContact O-N 3.23Å; E361-K364 IonicContact OE1-NZ 3.41Å; E361-K364 PolarHBondContact OE1-NZ 3.04Å; E361-K364 IonicContact OE2-NZ 3.74Å; E361-K364 PolarHBondContact OE2-NZ 3.47Å; A362-K364 PolarHBondContact O-N 3.09Å; K364-I367 PolarHBondContact O-N 2.91Å; K364-Q368 WeakPolarHBondContact O-CB 3.35Å; K364-Q368 PolarHBondContact O-N 3.31Å
365	A	88.9	Confident	86.7	Confident	51 Å²	51	89.8 Å²	89.8	42%	0.421	46%	0.461	S	S	.	.	H	α-helix	trans	-63.6	-40.9	175.1	0	0	0	0	0	111.9	E361 A362 Q368 K369	E361-A365 WeakPolarHBondContact O-CB 3.39Å; E361-A365 PolarHBondContact O-N 3.11Å; A362-A365 PolarHBondContact O-N 2.86Å; A365-Q368 PolarHBondContact O-N 3.38Å; A365-K369 WeakPolarHBondContact O-CB 3.36Å; A365-K369 PolarHBondContact O-N 3.03Å
366	E	91	Very high	87.6	Confident	106 Å²	106	89 Å²	89	50%	0.495	46%	0.459	S	S	.	.	H	α-helix	trans	-60.2	-48.9	173.9	-173.3	-168.5	178.3	0	0	111.6	A362 Q368 K369 Y370 L385	A362-E366 WeakPolarHBondContact O-CB 3.49Å; A362-E366 PolarHBondContact O-N 3.39Å; E366-Q368 VanDerWaalsContact C-N 3.3Å; E366-Q368 PolarHBondContact O-N 3.35Å; E366-K369 PolarHBondContact O-N 2.94Å; E366-Y370 WeakPolarHBondContact O-CB 3.19Å; E366-Y370 PolarHBondContact O-N 2.07Å; E366-L385 HydrophobicContact CG-CD1 4.32Å
367	I	91	Very high	88.5	Confident	25 Å²	25	88 Å²	88	13%	0.128	46%	0.459	C	S	.	.	H	α-helix	trans	-59.6	-42.6	176.4	-68.7	163.4	0	0	0	110.8	K363 K364 A371 L378 A381 K382 L385	K363-I367 HydrophobicContact CG-CD1 4.28Å; K363-I367 WeakPolarHBondContact O-CD1 3.39Å; K363-I367 VanDerWaalsContact O-CG1 3.22Å; K363-I367 WeakPolarHBondContact O-CG1 3.43Å; K363-I367 PolarHBondContact O-N 3.36Å; K364-I367 PolarHBondContact O-N 2.91Å; I367-A371 VanDerWaalsContact O-CB 3.27Å; I367-A371 WeakPolarHBondContact O-CB 3.19Å; I367-A371 PolarHBondContact O-N 2.84Å; I367-L378 HydrophobicContact CG2-CD2 4.16Å; I367-A381 HydrophobicContact CG2-CB 4.23Å; I367-K382 HydrophobicContact CD1-CB 4.17Å; I367-K382 HydrophobicContact CD1-CD 4.24Å; I367-K382 HydrophobicContact CD1-CG 3.92Å; I367-K382 HydrophobicContact CG1-CB 4.42Å; I367-K382 HydrophobicContact CG2-CB 4.17Å; I367-L385 HydrophobicContact CB-CD1 4.3Å; I367-L385 HydrophobicContact CG1-CD1 3.81Å
368	Q	92.3	Very high	89.2	Confident	98 Å²	98	90.2 Å²	90.2	46%	0.458	46%	0.462	S	S	.	.	H	α-helix	trans	-67.8	-43.5	-179.6	-170.6	167.1	-0.2	0	0	111.9	K364 A365 E366 A371 I372 L378	K364-Q368 WeakPolarHBondContact O-CB 3.35Å; K364-Q368 PolarHBondContact O-N 3.31Å; A365-Q368 PolarHBondContact O-N 3.38Å; E366-Q368 VanDerWaalsContact C-N 3.3Å; E366-Q368 PolarHBondContact O-N 3.35Å; Q368-A371 WeakPolarHBondContact O-CB 3.33Å; Q368-A371 PolarHBondContact O-N 3.03Å; Q368-I372 HydrophobicContact CG-CD1 4.21Å; Q368-I372 WeakPolarHBondContact O-CG1 3.48Å; Q368-I372 PolarHBondContact O-N 3.32Å; Q368-L378 HydrophobicContact CB-CD2 4.26Å; Q368-L378 HydrophobicContact CG-CD2 4.43Å
369	K	92.8	Very high	89.5	Confident	146 Å²	146	90.7 Å²	90.7	64%	0.635	47%	0.474	S	S	*	.	H	α-helix	trans	-60.8	-45.8	175	-176.1	179	178.7	-179	0	111.5	A365 E366 A371 I372 L373	A365-K369 WeakPolarHBondContact O-CB 3.36Å; A365-K369 PolarHBondContact O-N 3.03Å; E366-K369 PolarHBondContact O-N 2.94Å; K369-A371 VanDerWaalsContact C-N 3.35Å; K369-A371 PolarHBondContact O-N 3.39Å; K369-I372 PolarHBondContact O-N 3.32Å; K369-L373 HydrophobicContact CG-CD1 3.92Å; K369-L373 WeakPolarHBondContact O-CB 3.27Å; K369-L373 WeakPolarHBondContact O-CG 3.29Å; K369-L373 PolarHBondContact O-N 3.1Å
370	Y	91.4	Very high	89.9	Confident	63 Å²	63	93.1 Å²	93.1	25%	0.247	48%	0.482	C	S	.	.	H	α-helix	trans	-64.6	-39.6	177.8	-170.4	-86.7	0	0	0	112.1	E366 N374 L376 A381 M384 L385	E366-Y370 WeakPolarHBondContact O-CB 3.19Å; E366-Y370 PolarHBondContact O-N 2.07Å; Y370-N374 HydrophobicContact CE1-CB 4.43Å; Y370-N374 WeakPolarHBondContact O-CB 3.43Å; Y370-N374 PolarHBondContact O-N 3.19Å; Y370-N374 VanDerWaalsContact O-N 3.14Å; Y370-N374 PolarHBondContact O-ND2 2.92Å; Y370-L376 HydrophobicContact CD1-CD1 4.32Å; Y370-L376 HydrophobicContact CE1-CD1 3.81Å; Y370-A381 HydrophobicContact CD1-CB 3.88Å; Y370-M384 HydrophobicContact CE1-CB 3.83Å; Y370-L385 HydrophobicContact CD1-CD1 4.49Å; Y370-L385 HydrophobicContact CD1-CD2 4.49Å; Y370-L385 HydrophobicContact CD1-CG 4.08Å; Y370-L385 HydrophobicContact CD2-CD2 3.51Å; Y370-L385 HydrophobicContact CD2-CG 4Å; Y370-L385 HydrophobicContact CE2-CD2 3.98Å; Y370-L385 HydrophobicContact CE2-CG 4.47Å; Y370-L385 HydrophobicContact CG-CD1 4.06Å; Y370-L385 HydrophobicContact CG-CD2 3.8Å; Y370-L385 HydrophobicContact CG-CG 3.78Å
371	A	93.9	Very high	90.4	Very high	7 Å²	7	85 Å²	85	6%	0.058	45%	0.451	C	S	.	.	H	α-helix	trans	-59.6	-46.9	175.8	0	0	0	0	0	111.9	I367 Q368 K369 G375 L376 L378 A381	I367-A371 VanDerWaalsContact O-CB 3.27Å; I367-A371 WeakPolarHBondContact O-CB 3.19Å; I367-A371 PolarHBondContact O-N 2.84Å; Q368-A371 WeakPolarHBondContact O-CB 3.33Å; Q368-A371 PolarHBondContact O-N 3.03Å; K369-A371 VanDerWaalsContact C-N 3.35Å; K369-A371 PolarHBondContact O-N 3.39Å; A371-G375 PolarHBondContact O-N 3.16Å; A371-L376 WeakPolarHBondContact CB-O 3.5Å; A371-L376 PolarHBondContact O-N 2.91Å; A371-L378 HydrophobicContact CB-CD2 3.93Å; A371-A381 HydrophobicContact CB-CB 3.64Å
372	I	92.7	Very high	90.7	Very high	127 Å²	127	86.2 Å²	86.2	65%	0.651	46%	0.455	S	S	*	.	H	α-helix	trans	-64.2	-50.5	178.8	-67.5	165.8	0	0	0	110.9	Q368 K369 N374 G375	Q368-I372 HydrophobicContact CG-CD1 4.21Å; Q368-I372 WeakPolarHBondContact O-CG1 3.48Å; Q368-I372 PolarHBondContact O-N 3.32Å; K369-I372 PolarHBondContact O-N 3.32Å; I372-N374 PolarHBondContact O-N 3.15Å; I372-G375 PolarHBondContact O-N 3.49Å
373	L	93.8	Very high	90.8	Very high	127 Å²	127	90.5 Å²	90.5	67%	0.665	46%	0.462	S	S	*	.	H	α-helix	trans	-61.7	-29.3	-177.2	-76.2	168.6	0	0	0	113.6	K369	K369-L373 HydrophobicContact CG-CD1 3.92Å; K369-L373 WeakPolarHBondContact O-CB 3.27Å; K369-L373 WeakPolarHBondContact O-CG 3.29Å; K369-L373 PolarHBondContact O-N 3.1Å
374	N	93.4	Very high	90.8	Very high	82 Å²	82	88.9 Å²	88.9	44%	0.439	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	5.9	-175.5	-64.2	-88.7	0	0	0	113.4	Y370 I372 L376	Y370-N374 HydrophobicContact CE1-CB 4.43Å; Y370-N374 WeakPolarHBondContact O-CB 3.43Å; Y370-N374 PolarHBondContact O-N 3.19Å; Y370-N374 VanDerWaalsContact O-N 3.14Å; Y370-N374 PolarHBondContact O-ND2 2.92Å; I372-N374 PolarHBondContact O-N 3.15Å; N374-L376 HydrophobicContact CB-CD1 3.84Å; N374-L376 HydrophobicContact CB-CG 3.85Å; N374-L376 PolarHBondContact O-N 3.37Å
375	G	91	Very high	90.8	Very high	73 Å²	73	85.1 Å²	85.1	75%	0.753	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	33.2	-177.2	0	0	0	0	0	113.8	A371 I372	A371-G375 PolarHBondContact O-N 3.16Å; I372-G375 PolarHBondContact O-N 3.49Å
376	L	92.2	Very high	90.5	Very high	52 Å²	52	87.3 Å²	87.3	27%	0.272	44%	0.443	S	S	.	.			trans	-102.5	153	-175.7	-63.5	176.3	0	0	0	111.6	Y370 A371 N374 K380 A381 M384	Y370-L376 HydrophobicContact CD1-CD1 4.32Å; Y370-L376 HydrophobicContact CE1-CD1 3.81Å; A371-L376 WeakPolarHBondContact CB-O 3.5Å; A371-L376 PolarHBondContact O-N 2.91Å; N374-L376 HydrophobicContact CB-CD1 3.84Å; N374-L376 HydrophobicContact CB-CG 3.85Å; N374-L376 PolarHBondContact O-N 3.37Å; L376-K380 HydrophobicContact CB-CB 4.21Å; L376-K380 HydrophobicContact CD2-CB 4.41Å; L376-K380 HydrophobicContact CD2-CD 4.42Å; L376-A381 HydrophobicContact CB-CB 4.35Å; L376-M384 HydrophobicContact CD1-CG 4.21Å
377	S	92.1	Very high	90	Very high	64 Å²	64	88.5 Å²	88.5	45%	0.448	45%	0.446	S	S	.	.			trans	-64.9	152.1	163.4	71	0	0	0	0	110.5	L379 K380 A381	S377-L379 PolarHBondContact O-N 3.13Å; S377-L379 VanDerWaalsContact O-N 3.16Å; S377-K380 PolarHBondContact O-N 3.28Å; S377-K380 PolarHBondContact OG-N 3.09Å; S377-A381 WeakPolarHBondContact O-CB 3.4Å; S377-A381 PolarHBondContact O-N 2.96Å
378	L	90.1	Very high	89.5	Confident	102 Å²	102	90.1 Å²	90.1	53%	0.534	46%	0.457	S	S	.	.	H	α-helix	trans	-53.8	-37.6	177.6	-67.8	173.5	0	0	0	112.5	I367 Q368 A371 K382	I367-L378 HydrophobicContact CG2-CD2 4.16Å; Q368-L378 HydrophobicContact CB-CD2 4.26Å; Q368-L378 HydrophobicContact CG-CD2 4.43Å; A371-L378 HydrophobicContact CB-CD2 3.93Å; L378-K382 VanDerWaalsContact O-CB 3.29Å; L378-K382 WeakPolarHBondContact O-CB 3.36Å; L378-K382 PolarHBondContact O-N 3.28Å
379	L	88.7	Confident	88.7	Confident	144 Å²	144	87.6 Å²	87.6	75%	0.754	45%	0.453	S	S	*	.	H	α-helix	trans	-66	-43.5	177.7	-156.9	84.8	0	0	0	111.8	S377 K383	S377-L379 PolarHBondContact O-N 3.13Å; S377-L379 VanDerWaalsContact O-N 3.16Å; L379-K383 PolarHBondContact O-N 3.23Å; L379-K383 VanDerWaalsContact O-N 3.1Å
380	K	89.2	Confident	87.6	Confident	129 Å²	129	83.8 Å²	83.8	56%	0.561	44%	0.442	S	S	*	.	H	α-helix	trans	-67.1	-43.9	175.8	-78.8	-178.3	178.7	178.4	0	111.2	L376 S377 K382 K383 M384	L376-K380 HydrophobicContact CB-CB 4.21Å; L376-K380 HydrophobicContact CD2-CB 4.41Å; L376-K380 HydrophobicContact CD2-CD 4.42Å; S377-K380 PolarHBondContact O-N 3.28Å; S377-K380 PolarHBondContact OG-N 3.09Å; K380-K382 PolarHBondContact O-N 3.21Å; K380-K383 PolarHBondContact O-N 3.01Å; K380-M384 WeakPolarHBondContact O-CG 3.42Å; K380-M384 PolarHBondContact O-N 3.38Å
381	A	90.1	Very high	86.4	Confident	0 Å²	0	90.4 Å²	90.4	0%	0	47%	0.467	C	S	.	.	H	α-helix	trans	-58	-47.9	176.1	0	0	0	0	0	111.7	I367 Y370 A371 L376 S377 K383 M384 L385	I367-A381 HydrophobicContact CG2-CB 4.23Å; Y370-A381 HydrophobicContact CD1-CB 3.88Å; A371-A381 HydrophobicContact CB-CB 3.64Å; L376-A381 HydrophobicContact CB-CB 4.35Å; S377-A381 WeakPolarHBondContact O-CB 3.4Å; S377-A381 PolarHBondContact O-N 2.96Å; A381-K383 VanDerWaalsContact C-N 3.32Å; A381-K383 PolarHBondContact O-N 3.5Å; A381-M384 PolarHBondContact O-N 3.34Å; A381-L385 WeakPolarHBondContact O-CB 3.48Å; A381-L385 PolarHBondContact O-N 3.21Å
382	K	89.9	Confident	85.3	Confident	131 Å²	131	95.5 Å²	95.5	57%	0.57	49%	0.489	S	S	*	.	H	α-helix	trans	-57.6	-43	174.9	-174.5	177.5	-179	-177.7	0	112.1	I367 L378 K380 K386	I367-K382 HydrophobicContact CD1-CB 4.17Å; I367-K382 HydrophobicContact CD1-CD 4.24Å; I367-K382 HydrophobicContact CD1-CG 3.92Å; I367-K382 HydrophobicContact CG1-CB 4.42Å; I367-K382 HydrophobicContact CG2-CB 4.17Å; L378-K382 VanDerWaalsContact O-CB 3.29Å; L378-K382 WeakPolarHBondContact O-CB 3.36Å; L378-K382 PolarHBondContact O-N 3.28Å; K380-K382 PolarHBondContact O-N 3.21Å; K382-K386 WeakPolarHBondContact O-CB 3.48Å; K382-K386 PolarHBondContact O-N 3.42Å; K382-K386 VanDerWaalsContact O-N 3.15Å
383	K	87.4	Confident	83.9	Confident	146 Å²	146	95.5 Å²	95.5	64%	0.635	49%	0.485	S	S	*	.	H	α-helix	trans	-66.8	-37.6	177.9	-167.4	175	-177.2	175.8	0	112.2	L379 K380 A381 K387	L379-K383 PolarHBondContact O-N 3.23Å; L379-K383 VanDerWaalsContact O-N 3.1Å; K380-K383 PolarHBondContact O-N 3.01Å; A381-K383 VanDerWaalsContact C-N 3.32Å; A381-K383 PolarHBondContact O-N 3.5Å; K383-K387 PolarHBondContact O-N 2.84Å
384	M	87.1	Confident	82.2	Confident	84 Å²	84	99.3 Å²	99.3	41%	0.414	49%	0.49	S	S	.	.	H	α-helix	trans	-71.5	-49.7	178.6	-70.8	-62.7	176.1	0	0	112.1	Y370 L376 K380 A381 K386 K387 T388	Y370-M384 HydrophobicContact CE1-CB 3.83Å; L376-M384 HydrophobicContact CD1-CG 4.21Å; K380-M384 WeakPolarHBondContact O-CG 3.42Å; K380-M384 PolarHBondContact O-N 3.38Å; A381-M384 PolarHBondContact O-N 3.34Å; M384-K386 PolarHBondContact O-N 3.28Å; M384-K387 WeakPolarHBondContact O-CA 3.34Å; M384-K387 WeakPolarHBondContact O-CB 3.4Å; M384-K387 PolarHBondContact O-N 3.3Å; M384-T388 PolarHBondContact O-N 3.02Å; M384-T388 PolarHBondContact O-OG1 2.88Å
385	L	88.1	Confident	80.5	Confident	30 Å²	30	99.6 Å²	99.6	16%	0.157	50%	0.499	C	S	.	.	H	α-helix	trans	-55.6	-41.5	175.6	-77.3	170.1	0	0	0	111.9	E366 I367 Y370 A381 K387 T388 A389	E366-L385 HydrophobicContact CG-CD1 4.32Å; I367-L385 HydrophobicContact CB-CD1 4.3Å; I367-L385 HydrophobicContact CG1-CD1 3.81Å; Y370-L385 HydrophobicContact CD1-CD1 4.49Å; Y370-L385 HydrophobicContact CD1-CD2 4.49Å; Y370-L385 HydrophobicContact CD1-CG 4.08Å; Y370-L385 HydrophobicContact CD2-CD2 3.51Å; Y370-L385 HydrophobicContact CD2-CG 4Å; Y370-L385 HydrophobicContact CE2-CD2 3.98Å; Y370-L385 HydrophobicContact CE2-CG 4.47Å; Y370-L385 HydrophobicContact CG-CD1 4.06Å; Y370-L385 HydrophobicContact CG-CD2 3.8Å; Y370-L385 HydrophobicContact CG-CG 3.78Å; A381-L385 WeakPolarHBondContact O-CB 3.48Å; A381-L385 PolarHBondContact O-N 3.21Å; L385-K387 PolarHBondContact O-N 3.03Å; L385-T388 PolarHBondContact O-N 2.91Å; L385-A389 PolarHBondContact O-N 3.17Å
386	K	82.9	Confident	78.6	Confident	98 Å²	98	102.5 Å²	102.5	43%	0.426	49%	0.493	S	S	.	.	H	α-helix	trans	-61.6	-41	175.3	-172.8	173.9	175.3	177.8	0	112.3	E300 K382 M384 V390	E300-K386 IonicContact OE1-NZ 2.69Å; E300-K386 PolarHBondContact OE1-NZ 3Å; E300-K386 IonicContact OE2-NZ 3.65Å; K382-K386 WeakPolarHBondContact O-CB 3.48Å; K382-K386 PolarHBondContact O-N 3.42Å; K382-K386 VanDerWaalsContact O-N 3.15Å; M384-K386 PolarHBondContact O-N 3.28Å; K386-V390 VanDerWaalsContact O-CG2 3.32Å; K386-V390 WeakPolarHBondContact O-CG2 3.44Å; K386-V390 PolarHBondContact O-N 2.89Å
387	K	80.2	Confident	76.4	Confident	131 Å²	131	105.7 Å²	105.7	57%	0.57	52%	0.516	S	S	*	.	H	α-helix	trans	-64.6	-41.5	175.3	-78.1	-176.1	174	-170.1	0	112	K383 M384 L385 V390 R391	K383-K387 PolarHBondContact O-N 2.84Å; M384-K387 WeakPolarHBondContact O-CA 3.34Å; M384-K387 WeakPolarHBondContact O-CB 3.4Å; M384-K387 PolarHBondContact O-N 3.3Å; L385-K387 PolarHBondContact O-N 3.03Å; K387-V390 PolarHBondContact O-N 2.9Å; K387-R391 PolarHBondContact O-N 3.26Å
388	T	79.7	Confident	74.4	Confident	58 Å²	58	107.5 Å²	107.5	36%	0.356	53%	0.525	S	S	.	.	H	α-helix	trans	-63.2	-47.7	178	-51.7	0	0	0	0	111.2	M384 L385 V390 R391 E392	M384-T388 PolarHBondContact O-N 3.02Å; M384-T388 PolarHBondContact O-OG1 2.88Å; L385-T388 PolarHBondContact O-N 2.91Å; T388-V390 VanDerWaalsContact C-N 3.32Å; T388-V390 PolarHBondContact O-N 2.96Å; T388-R391 CarbonylContact O-C 3.6Å; T388-R391 WeakPolarHBondContact O-CA 3.49Å; T388-R391 WeakPolarHBondContact O-CB 3.49Å; T388-R391 PolarHBondContact O-N 3.45Å; T388-E392 HydrophobicContact CG2-CG 4.49Å; T388-E392 WeakPolarHBondContact O-CG 3.47Å; T388-E392 PolarHBondContact O-N 3.23Å
389	A	75.7	Confident	72.1	Confident	46 Å²	46	112.4 Å²	112.4	38%	0.38	54%	0.542	S	S	.	.	H	α-helix	trans	-60.1	-38.6	178.2	0	0	0	0	0	113	L385 E392 K393	L385-A389 PolarHBondContact O-N 3.17Å; A389-E392 PolarHBondContact O-N 3.18Å; A389-K393 PolarHBondContact O-N 3.3Å
390	V	69.3	Low	69.8	Low	66 Å²	66	111.5 Å²	111.5	40%	0.4	54%	0.542	S	S	.	.	H	α-helix	trans	-66	-39.1	174.2	172.3	0	0	0	0	111.2	K386 K387 T388 R394	K386-V390 VanDerWaalsContact O-CG2 3.32Å; K386-V390 WeakPolarHBondContact O-CG2 3.44Å; K386-V390 PolarHBondContact O-N 2.89Å; K387-V390 PolarHBondContact O-N 2.9Å; T388-V390 VanDerWaalsContact C-N 3.32Å; T388-V390 PolarHBondContact O-N 2.96Å; V390-R394 WeakPolarHBondContact O-CG 3.32Å; V390-R394 PolarHBondContact O-N 3.18Å; V390-R394 VanDerWaalsContact O-N 3.08Å
391	R	66.9	Low	67.2	Low	202 Å²	202	108.4 Å²	108.4	76%	0.762	54%	0.536	S	S	*	.	H	α-helix	trans	-66.9	-40.7	176.9	-168.1	179	-178.5	-177.6	0	111.7	K387 T388 R394 S395	K387-R391 PolarHBondContact O-N 3.26Å; T388-R391 CarbonylContact O-C 3.6Å; T388-R391 WeakPolarHBondContact O-CA 3.49Å; T388-R391 WeakPolarHBondContact O-CB 3.49Å; T388-R391 PolarHBondContact O-N 3.45Å; R391-R394 PolarHBondContact O-N 2.97Å; R391-S395 PolarHBondContact O-N 2.99Å
392	E	71.2	Confident	65.2	Low	114 Å²	114	117 Å²	117	53%	0.533	58%	0.58	S	S	.	*	H	α-helix	trans	-65.1	-47.3	176.1	-74.5	173.5	178.6	0	0	111.6	T388 A389 R394 S395 Q396	T388-E392 HydrophobicContact CG2-CG 4.49Å; T388-E392 WeakPolarHBondContact O-CG 3.47Å; T388-E392 PolarHBondContact O-N 3.23Å; A389-E392 PolarHBondContact O-N 3.18Å; E392-R394 VanDerWaalsContact C-N 3.26Å; E392-R394 PolarHBondContact O-N 2.96Å; E392-S395 WeakPolarHBondContact CA-OG 3.46Å; E392-S395 CarbonylContact O-C 3.58Å; E392-S395 WeakPolarHBondContact O-CA 3.36Å; E392-S395 PolarHBondContact O-N 2.71Å; E392-S395 PolarHBondContact O-OG 2.99Å; E392-Q396 PolarHBondContact O-N 2.93Å
393	K	63.6	Low	63.1	Low	127 Å²	127	115 Å²	115	55%	0.552	58%	0.581	S	S	*	*	H	α-helix	trans	-57.2	-38.7	173.9	-79.8	-172.7	178.4	-174.7	0	112.3	T298 A389 S395	T298-K393 PolarHBondContact OG1-NZ 3.48Å; A389-K393 PolarHBondContact O-N 3.3Å; K393-S395 VanDerWaalsContact C-N 3.28Å; K393-S395 PolarHBondContact O-N 2.85Å
394	R	57.7	Low	60.7	Low	207 Å²	207	110.9 Å²	110.9	78%	0.781	58%	0.581	S	S	*	*	H	α-helix	trans	-70	-22.5	174.5	-76.1	179.7	176	-169.1	-2	113.9	V390 R391 E392	V390-R394 WeakPolarHBondContact O-CG 3.32Å; V390-R394 PolarHBondContact O-N 3.18Å; V390-R394 VanDerWaalsContact O-N 3.08Å; R391-R394 PolarHBondContact O-N 2.97Å; E392-R394 VanDerWaalsContact C-N 3.26Å; E392-R394 PolarHBondContact O-N 2.96Å
395	S	57.5	Low	58.2	Low	88 Å²	88	112.6 Å²	112.6	62%	0.615	59%	0.592	S	S	*	*	H	α-helix	trans	-91.2	-16.7	178.8	71.6	0	0	0	0	113.6	R391 E392 K393	R391-S395 PolarHBondContact O-N 2.99Å; E392-S395 WeakPolarHBondContact CA-OG 3.46Å; E392-S395 CarbonylContact O-C 3.58Å; E392-S395 WeakPolarHBondContact O-CA 3.36Å; E392-S395 PolarHBondContact O-N 2.71Å; E392-S395 PolarHBondContact O-OG 2.99Å; K393-S395 VanDerWaalsContact C-N 3.28Å; K393-S395 PolarHBondContact O-N 2.85Å
396	Q	51.6	Low	56.1	Low	134 Å²	134	116.7 Å²	116.7	63%	0.626	62%	0.623	S	S	*	*	S	Bend	trans	-63.7	130.4	173.3	-73.6	-179.7	2.9	0	0	108.9	E392 T398	E392-Q396 PolarHBondContact O-N 2.93Å; Q396-T398 PolarHBondContact O-N 3.36Å
397	P	45	Very low	53.8	Low	119 Å²	119	116.4 Å²	116.4	77%	0.773	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-58.6	130.5	173.3	22.5	-29.6	0	0	0	108.6	K399	P397-K399 PolarHBondContact O-N 3.02Å; P397-K399 VanDerWaalsContact O-N 3.13Å
398	T	49.7	Very low	51.7	Low	102 Å²	102	115.7 Å²	115.7	63%	0.626	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-50.1	122.4	172.4	-11.3	0	0	0	0	107.4	Q396 V400	Q396-T398 PolarHBondContact O-N 3.36Å; T398-V400 PolarHBondContact O-N 3.07Å
399	K	42.6	Very low	49.4	Very low	204 Å²	204	117.6 Å²	117.6	89%	0.887	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-54.4	118	174.3	-77.2	-175.2	178.2	179.6	0	107.2	P397 C401	P397-K399 PolarHBondContact O-N 3.02Å; P397-K399 VanDerWaalsContact O-N 3.13Å; K399-C401 PolarHBondContact O-N 3.06Å
400	V	40.1	Very low	47.2	Very low	126 Å²	126	123.4 Å²	123.4	76%	0.764	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-59.3	122	175.7	179.7	0	0	0	0	106.8	T398 I402	T398-V400 PolarHBondContact O-N 3.07Å; V400-I402 PolarHBondContact O-N 3.45Å
401	C	35.9	Very low	45.5	Very low	64 Å²	64	130.5 Å²	130.5	43%	0.432	70%	0.699	S	S	.	*	P	Polyproline II helix	trans	-54.8	130.3	171.9	-178.1	0	0	0	0	108.1	K399 C403 G404	K399-C401 PolarHBondContact O-N 3.06Å; C401-C403 HydrophobicContact CB-CB 4.46Å; C401-C403 WeakPolarHBondContact CB-SG 3.4Å; C401-C403 PolarHBondContact O-N 3.08Å; C401-C403 WeakPolarHBondContact SG-CB 3.37Å; C401-C403 PolarHBondContact SG-N 3.28Å; C401-C403 VanDerWaalsContact SG-N 3.35Å; C401-C403 CovalentContact SG-SG 2.07Å; C401-C403 PolarHBondContact SG-SG 2.99Å; C401-G404 PolarHBondContact O-N 3.33Å; C401-G404 VanDerWaalsContact O-N 3.09Å
402	I	46.3	Very low	43.8	Very low	179 Å²	179	131 Å²	131	92%	0.918	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-14.2	176.3	-55.3	172	0	0	0	111	V400 G404	V400-I402 PolarHBondContact O-N 3.45Å; I402-G404 VanDerWaalsContact C-N 3.33Å; I402-G404 PolarHBondContact O-N 3.35Å
403	C	47.1	Very low	41.6	Very low	89 Å²	89	134 Å²	134	60%	0.601	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	1.6	176.1	66.4	0	0	0	0	116	C401 N405	C401-C403 HydrophobicContact CB-CB 4.46Å; C401-C403 WeakPolarHBondContact CB-SG 3.4Å; C401-C403 PolarHBondContact O-N 3.08Å; C401-C403 WeakPolarHBondContact SG-CB 3.37Å; C401-C403 PolarHBondContact SG-N 3.28Å; C401-C403 VanDerWaalsContact SG-N 3.35Å; C401-C403 CovalentContact SG-SG 2.07Å; C401-C403 PolarHBondContact SG-SG 2.99Å; C403-N405 VanDerWaalsContact C-N 3.28Å; C403-N405 PolarHBondContact O-N 3.46Å
404	G	36.8	Very low	40.1	Very low	61 Å²	61	138.4 Å²	138.4	63%	0.629	76%	0.758	S	S	*	*			trans	74	7.3	172.4	0	0	0	0	0	116.3	C401 I402 S406	C401-G404 PolarHBondContact O-N 3.33Å; C401-G404 VanDerWaalsContact O-N 3.09Å; I402-G404 VanDerWaalsContact C-N 3.33Å; I402-G404 PolarHBondContact O-N 3.35Å; G404-S406 PolarHBondContact O-N 3.3Å
405	N	35.1	Very low	39.2	Very low	119 Å²	119	135 Å²	135	64%	0.636	76%	0.757	S	S	*	*			trans	-81.9	109	174.9	-106.6	-17	0	0	0	111	C403 S407	C403-N405 VanDerWaalsContact C-N 3.28Å; C403-N405 PolarHBondContact O-N 3.46Å; N405-S407 VanDerWaalsContact C-N 3.26Å; N405-S407 PolarHBondContact O-N 3.14Å
406	S	43.9	Very low	38.3	Very low	117 Å²	117	137.5 Å²	137.5	82%	0.818	76%	0.764	S	S	*	*			trans	-81.9	12.9	-177.8	59.2	0	0	0	0	114.8	G404	G404-S406 PolarHBondContact O-N 3.3Å
407	S	34.5	Very low	37.5	Very low	92 Å²	92	137.7 Å²	137.7	64%	0.643	77%	0.772	S	S	*	*			trans	-105.7	56.8	-174.6	66	0	0	0	0	113.2	N405	N405-S407 VanDerWaalsContact C-N 3.26Å; N405-S407 PolarHBondContact O-N 3.14Å
408	V	34.6	Very low	37.1	Very low	115 Å²	115	138.8 Å²	138.8	70%	0.697	77%	0.772	S	S	*	*			trans	-134.5	64	159.9	-164.8	0	0	0	0	109
409	S	31.7	Very low	36.3	Very low	99 Å²	99	141.1 Å²	141.1	69%	0.692	78%	0.781	S	S	*	*			trans	-131.5	52.3	165.7	75.7	0	0	0	0	110.5	R411	S409-R411 PolarHBondContact O-N 3.02Å
410	L	30.8	Very low	35.9	Very low	167 Å²	167	136.9 Å²	136.9	87%	0.874	77%	0.774	S	S	*	*			trans	-81.1	74.3	163	-79.6	162.9	0	0	0	108.4	F412	L410-F412 PolarHBondContact O-N 2.93Å
411	R	32.7	Very low	35.6	Very low	216 Å²	216	137.6 Å²	137.6	82%	0.815	78%	0.775	S	S	*	*			trans	-69.5	111.2	154.5	-78	-174.4	-178.9	-178.3	1.9	105.9	S409 Q413	S409-R411 PolarHBondContact O-N 3.02Å; R411-Q413 PolarHBondContact O-N 3.33Å
412	F	30.5	Very low	35.6	Very low	211 Å²	211	143.3 Å²	143.3	93%	0.925	80%	0.801	S	S	*	*			trans	-51.5	105.5	161.7	-75.5	-92.7	0	0	0	108.1	L410	L410-F412 PolarHBondContact O-N 2.93Å
413	Q	25.4	Very low	34.7	Very low	178 Å²	178	140.3 Å²	140.3	83%	0.832	79%	0.791	S	S	*	*			trans	-90.5	122.5	165.4	-86	-173.1	-29.8	0	0	107.7	R411	R411-Q413 PolarHBondContact O-N 3.33Å
414	V	32.6	Very low	33.5	Very low	220 Å²	220	145 Å²	145	100%	1.333	81%	0.809	S	S	*	*			trans	71.2	0	167.1	-162.5	0	0	0	0	116.2

Retrieved 414 of 414 residues in 863.6 ms (Link to these results)

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