A0A077Z9Z8_TRITR Loading...

U4:U6 small nuclear ribonucleoprotein Prp3

AlphaFold DB , UniProt , Accession A0A077Z9Z8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 605 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	37.8	Very low	65.1	Low	195 Å²	195	86.3 Å²	86.3	96%	0.961	47%	0.472	S	S	*	.				0	-24.3	0	-72.7	-175.4	177.5	0	0	111.9	G3 T4	M1-G3 PolarHBondContact O-N 3.38Å; M1-T4 PolarHBondContact O-OG1 2.93Å
2	H	41.2	Very low	66.8	Low	163 Å²	163	84 Å²	84	76%	0.755	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	11.1	177	-50.9	-14.1	0	0	0	116.5
3	G	52.1	Low	68.1	Low	49 Å²	49	79.5 Å²	79.5	51%	0.505	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-24.3	-178.2	0	0	0	0	0	113.7	M1 I7	M1-G3 PolarHBondContact O-N 3.38Å; G3-I7 WeakPolarHBondContact O-CD1 3.43Å; G3-I7 WeakPolarHBondContact O-CG1 3.31Å
4	T	56.2	Low	69.4	Low	92 Å²	92	73.9 Å²	73.9	56%	0.564	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-37	-177.4	45.9	0	0	0	0	111.6	M1 S6 I7 D8	M1-T4 PolarHBondContact O-OG1 2.93Å; T4-S6 VanDerWaalsContact C-N 3.29Å; T4-S6 PolarHBondContact O-N 2.9Å; T4-I7 PolarHBondContact O-N 2.76Å; T4-I7 VanDerWaalsContact O-N 3.16Å; T4-D8 PolarHBondContact O-N 3.1Å
5	E	59.5	Low	70.6	Confident	118 Å²	118	78 Å²	78	55%	0.551	43%	0.428	S	S	*	.	H	α-helix	trans	-61.7	-35.7	177.8	-66.9	165.4	168.9	0	0	112.5	I7 M9	E5-I7 PolarHBondContact O-N 2.84Å; E5-M9 WeakPolarHBondContact O-CE 3.29Å; E5-M9 WeakPolarHBondContact O-CG 3.48Å; E5-M9 PolarHBondContact O-N 3.12Å
6	S	67.1	Low	71.7	Confident	28 Å²	28	84.9 Å²	84.9	20%	0.196	45%	0.453	C	S	.	.	H	α-helix	trans	-63.1	-37.7	176.1	160.4	0	0	0	0	113	T4 V10	T4-S6 VanDerWaalsContact C-N 3.29Å; T4-S6 PolarHBondContact O-N 2.9Å; S6-V10 WeakPolarHBondContact O-CG2 3.33Å; S6-V10 PolarHBondContact O-N 3.38Å
7	I	75.4	Confident	72.5	Confident	82 Å²	82	81.1 Å²	81.1	42%	0.421	43%	0.432	S	S	.	.	H	α-helix	trans	-74.9	-43	-174.9	-62.9	169.9	0	0	0	110.2	G3 T4 E5 M9 V10 A11 I30	G3-I7 WeakPolarHBondContact O-CD1 3.43Å; G3-I7 WeakPolarHBondContact O-CG1 3.31Å; T4-I7 PolarHBondContact O-N 2.76Å; T4-I7 VanDerWaalsContact O-N 3.16Å; E5-I7 PolarHBondContact O-N 2.84Å; I7-M9 PolarHBondContact O-N 3.32Å; I7-V10 PolarHBondContact O-N 3.36Å; I7-A11 PolarHBondContact O-N 3.12Å; I7-I30 HydrophobicContact CG1-CD1 4.3Å; I7-I30 HydrophobicContact CG2-CD1 4.46Å
8	D	79.2	Confident	73.1	Confident	115 Å²	115	77.7 Å²	77.7	62%	0.615	41%	0.414	S	S	*	.	H	α-helix	trans	-67.3	-36.6	-179.6	-67.5	-22.9	0	0	0	112	T4 A11 A12	T4-D8 PolarHBondContact O-N 3.1Å; D8-A11 PolarHBondContact O-N 3.28Å; D8-A12 WeakPolarHBondContact O-CB 3.4Å; D8-A12 PolarHBondContact O-N 3.35Å
9	M	80.7	Confident	73.6	Confident	76 Å²	76	77 Å²	77	37%	0.374	43%	0.427	S	S	.	.	H	α-helix	trans	-64.1	-43.3	174	-73.8	-170.3	-66.1	0	0	112.3	E5 I7 A12 V13 F69	E5-M9 WeakPolarHBondContact O-CE 3.29Å; E5-M9 WeakPolarHBondContact O-CG 3.48Å; E5-M9 PolarHBondContact O-N 3.12Å; I7-M9 PolarHBondContact O-N 3.32Å; M9-A12 PolarHBondContact O-N 2.89Å; M9-V13 WeakPolarHBondContact O-CG2 3.4Å; M9-V13 PolarHBondContact O-N 3.03Å; M9-F69 HydrophobicContact CE-CE2 4.42Å; M9-F69 HydrophobicContact CE-CZ 4.1Å
10	V	82.4	Confident	74.2	Confident	5 Å²	5	78.2 Å²	78.2	3%	0.03	43%	0.429	C	S	.	.	H	α-helix	trans	-65	-41.7	178	170.6	0	0	0	0	111	S6 I7 A12 V13 V14 E26 V29 I30 L33 F69	S6-V10 WeakPolarHBondContact O-CG2 3.33Å; S6-V10 PolarHBondContact O-N 3.38Å; I7-V10 PolarHBondContact O-N 3.36Å; V10-A12 VanDerWaalsContact C-N 3.32Å; V10-A12 PolarHBondContact O-N 3.35Å; V10-V13 PolarHBondContact O-N 3.39Å; V10-V14 HydrophobicContact CG1-CG2 4.3Å; V10-V14 WeakPolarHBondContact O-CB 3.39Å; V10-V14 VanDerWaalsContact O-CG2 3.27Å; V10-V14 WeakPolarHBondContact O-CG2 3.28Å; V10-V14 PolarHBondContact O-N 2.57Å; V10-E26 HydrophobicContact CG1-CB 4.42Å; V10-V29 HydrophobicContact CB-CG1 4.48Å; V10-V29 HydrophobicContact CG1-CB 3.8Å; V10-V29 HydrophobicContact CG1-CG1 3.6Å; V10-V29 HydrophobicContact CG2-CG1 4.04Å; V10-I30 HydrophobicContact CB-CG1 4.4Å; V10-I30 HydrophobicContact CG1-CG1 4.16Å; V10-I30 HydrophobicContact CG2-CG1 4.31Å; V10-L33 HydrophobicContact CG2-CD1 4.04Å; V10-F69 HydrophobicContact CG2-CZ 4.22Å
11	A	84.2	Confident	74.5	Confident	26 Å²	26	78.2 Å²	78.2	22%	0.215	44%	0.435	C	S	.	.	H	α-helix	trans	-61.7	-39.6	175.7	0	0	0	0	0	112.1	I7 D8 K15	I7-A11 PolarHBondContact O-N 3.12Å; D8-A11 PolarHBondContact O-N 3.28Å; A11-K15 VanDerWaalsContact O-CB 3.26Å; A11-K15 WeakPolarHBondContact O-CB 3.33Å; A11-K15 PolarHBondContact O-N 3.09Å
12	A	85.4	Confident	76.6	Confident	59 Å²	59	70.4 Å²	70.4	49%	0.488	40%	0.4	S	S	.	.	H	α-helix	trans	-65.1	-43.2	176.4	0	0	0	0	0	112.8	D8 M9 V10 K15 K16	D8-A12 WeakPolarHBondContact O-CB 3.4Å; D8-A12 PolarHBondContact O-N 3.35Å; M9-A12 PolarHBondContact O-N 2.89Å; V10-A12 VanDerWaalsContact C-N 3.32Å; V10-A12 PolarHBondContact O-N 3.35Å; A12-K15 PolarHBondContact O-N 2.97Å; A12-K16 WeakPolarHBondContact O-CB 3.02Å; A12-K16 PolarHBondContact O-N 3.42Å
13	V	84.6	Confident	78.7	Confident	25 Å²	25	70.2 Å²	70.2	15%	0.152	40%	0.399	C	S	.	.	H	α-helix	trans	-64.4	-46.5	177.3	172.4	0	0	0	0	111.1	M9 V10 K15 K16 I17 V63 L66	M9-V13 WeakPolarHBondContact O-CG2 3.4Å; M9-V13 PolarHBondContact O-N 3.03Å; V10-V13 PolarHBondContact O-N 3.39Å; V13-K15 PolarHBondContact O-N 3.04Å; V13-K16 PolarHBondContact O-N 3.03Å; V13-I17 HydrophobicContact CG1-CD1 3.85Å; V13-I17 PolarHBondContact O-N 3.15Å; V13-V63 HydrophobicContact CG1-CG2 4.46Å; V13-L66 HydrophobicContact CG2-CD1 3.97Å
14	V	85.8	Confident	80.3	Confident	1 Å²	1	75.6 Å²	75.6	1%	0.006	41%	0.408	C	S	.	.	H	α-helix	trans	-61.2	-45.5	178.2	170.2	0	0	0	0	110.7	V10 K16 I17 L18 I25 E26 V29	V10-V14 HydrophobicContact CG1-CG2 4.3Å; V10-V14 WeakPolarHBondContact O-CB 3.39Å; V10-V14 VanDerWaalsContact O-CG2 3.27Å; V10-V14 WeakPolarHBondContact O-CG2 3.28Å; V10-V14 PolarHBondContact O-N 2.57Å; V14-K16 VanDerWaalsContact C-N 3.34Å; V14-K16 PolarHBondContact O-N 2.69Å; V14-I17 PolarHBondContact O-N 3.12Å; V14-L18 HydrophobicContact CG1-CD1 3.77Å; V14-L18 WeakPolarHBondContact O-CB 3.37Å; V14-L18 PolarHBondContact O-N 3.39Å; V14-I25 HydrophobicContact CG1-CB 4.31Å; V14-I25 HydrophobicContact CG1-CG2 4Å; V14-I25 HydrophobicContact CG2-CG2 4.03Å; V14-E26 HydrophobicContact CB-CG 4.17Å; V14-E26 HydrophobicContact CG1-CG 4.14Å; V14-E26 HydrophobicContact CG2-CG 4.07Å; V14-V29 HydrophobicContact CG2-CG2 4.45Å
15	K	87.9	Confident	81.8	Confident	136 Å²	136	71.6 Å²	71.6	59%	0.591	38%	0.384	S	S	*	.	H	α-helix	trans	-63.6	-37.6	178.1	-172.1	177.8	-179.7	-179.3	0	112.6	A11 A12 V13 G19	A11-K15 VanDerWaalsContact O-CB 3.26Å; A11-K15 WeakPolarHBondContact O-CB 3.33Å; A11-K15 PolarHBondContact O-N 3.09Å; A12-K15 PolarHBondContact O-N 2.97Å; V13-K15 PolarHBondContact O-N 3.04Å; K15-G19 WeakPolarHBondContact O-CA 3.49Å; K15-G19 PolarHBondContact O-N 2.93Å
16	K	88	Confident	83.2	Confident	188 Å²	188	67.3 Å²	67.3	82%	0.817	36%	0.364	S	S	*	.	H	α-helix	trans	-65.2	-40.1	179.1	-172.2	-179.5	178.7	-175.1	0	112.5	A12 V13 V14	A12-K16 WeakPolarHBondContact O-CB 3.02Å; A12-K16 PolarHBondContact O-N 3.42Å; V13-K16 PolarHBondContact O-N 3.03Å; V14-K16 VanDerWaalsContact C-N 3.34Å; V14-K16 PolarHBondContact O-N 2.69Å
17	I	85.5	Confident	84.2	Confident	21 Å²	21	67.6 Å²	67.6	11%	0.108	37%	0.366	C	S	.	.	H	α-helix	trans	-89.3	-37.7	-173.5	-62.9	166.5	0	0	0	112.2	V13 V14 K55 E58 I59 T62	V13-I17 HydrophobicContact CG1-CD1 3.85Å; V13-I17 PolarHBondContact O-N 3.15Å; V14-I17 PolarHBondContact O-N 3.12Å; I17-K55 HydrophobicContact CG2-CB 4.38Å; I17-E58 HydrophobicContact CD1-CB 4.47Å; I17-E58 HydrophobicContact CD1-CG 4.11Å; I17-E58 HydrophobicContact CG1-CG 4.2Å; I17-E58 HydrophobicContact CG2-CB 4.22Å; I17-E58 HydrophobicContact CG2-CG 4.31Å; I17-I59 HydrophobicContact CB-CG1 4.27Å; I17-I59 HydrophobicContact CD1-CB 4.33Å; I17-I59 HydrophobicContact CD1-CG1 3.6Å; I17-I59 HydrophobicContact CG2-CD1 4.44Å; I17-I59 HydrophobicContact CG2-CG1 3.99Å; I17-T62 HydrophobicContact CD1-CG2 4.18Å
18	L	83.2	Confident	84.7	Confident	19 Å²	19	64.6 Å²	64.6	10%	0.099	35%	0.353	C	S	.	.	H	α-helix	trans	-95.5	-14.8	-176	-73.8	147.2	0	0	0	113.6	V14 H20 I25 I50 K55 I59	V14-L18 HydrophobicContact CG1-CD1 3.77Å; V14-L18 WeakPolarHBondContact O-CB 3.37Å; V14-L18 PolarHBondContact O-N 3.39Å; L18-H20 PolarHBondContact O-CD2 3.02Å; L18-H20 VanDerWaalsContact O-CD2 3.24Å; L18-H20 PolarHBondContact O-N 3.03Å; L18-H20 VanDerWaalsContact O-N 3.17Å; L18-I25 HydrophobicContact CD1-CD1 3.59Å; L18-I25 HydrophobicContact CD1-CG2 3.98Å; L18-I25 HydrophobicContact CD2-CD1 4.36Å; L18-I50 HydrophobicContact CD1-CD1 4.27Å; L18-K55 HydrophobicContact CD2-CD 3.7Å; L18-K55 HydrophobicContact CG-CD 4.48Å; L18-I59 HydrophobicContact CD1-CD1 3.95Å
19	G	82.9	Confident	85.1	Confident	65 Å²	65	59.1 Å²	59.1	67%	0.67	32%	0.324	S	S	*	.	S	Bend	trans	74.5	-10.3	-175.2	0	0	0	0	0	114.4	K15	K15-G19 WeakPolarHBondContact O-CA 3.49Å; K15-G19 PolarHBondContact O-N 2.93Å
20	H	84.9	Confident	85.4	Confident	101 Å²	101	57.4 Å²	57.4	47%	0.468	32%	0.316	S	S	.	.	S	Bend	trans	-135.1	148.6	175.4	64.2	81.3	0	0	0	110.5	L18	L18-H20 PolarHBondContact O-CD2 3.02Å; L18-H20 VanDerWaalsContact O-CD2 3.24Å; L18-H20 PolarHBondContact O-N 3.03Å; L18-H20 VanDerWaalsContact O-N 3.17Å
21	S	79.9	Confident	85.5	Confident	78 Å²	78	63.3 Å²	63.3	55%	0.545	34%	0.337	S	S	.	.			trans	-81.9	137.6	170	166	0	0	0	0	109.1	E26	S21-E26 PolarHBondContact OG-OE1 2.91Å
22	S	82.6	Confident	85.6	Confident	32 Å²	32	62.1 Å²	62.1	22%	0.224	33%	0.328	C	S	.	.			trans	-142.5	112.4	178.1	175	0	0	0	0	109.4	K24 I25 E26	S22-K24 PolarHBondContact O-N 2.94Å; S22-K24 VanDerWaalsContact O-N 3.14Å; S22-I25 PolarHBondContact O-N 2.92Å; S22-E26 PolarHBondContact O-N 2.82Å
23	E	84.9	Confident	85.5	Confident	159 Å²	159	61.6 Å²	61.6	74%	0.743	32%	0.317	S	S	*	.	H	α-helix	trans	-58	-30.1	-177.9	-166.6	179.8	-177.1	0	0	112.5	S27	E23-S27 WeakPolarHBondContact O-CB 3.19Å; E23-S27 PolarHBondContact O-N 3.03Å; E23-S27 PolarHBondContact O-OG 3.38Å
24	K	86.4	Confident	85.3	Confident	161 Å²	161	65.5 Å²	65.5	70%	0.7	34%	0.337	S	S	*	.	H	α-helix	trans	-66	-37.6	175	-72	-177.3	-178.3	174.1	0	112.4	S22 S27 A28 V49	S22-K24 PolarHBondContact O-N 2.94Å; S22-K24 VanDerWaalsContact O-N 3.14Å; K24-S27 PolarHBondContact O-OG 3.21Å; K24-S27 VanDerWaalsContact O-OG 3.06Å; K24-A28 WeakPolarHBondContact O-CB 3.27Å; K24-A28 PolarHBondContact O-N 3.03Å; K24-V49 HydrophobicContact CB-CG1 4.15Å
25	I	88.2	Confident	85	Confident	8 Å²	8	72.9 Å²	72.9	4%	0.041	36%	0.364	C	S	.	.	H	α-helix	trans	-78.7	-46.4	-179.5	-62.1	174.4	0	0	0	109.6	V14 L18 S22 S27 A28 V29 V49 I50	V14-I25 HydrophobicContact CG1-CB 4.31Å; V14-I25 HydrophobicContact CG1-CG2 4Å; V14-I25 HydrophobicContact CG2-CG2 4.03Å; L18-I25 HydrophobicContact CD1-CD1 3.59Å; L18-I25 HydrophobicContact CD1-CG2 3.98Å; L18-I25 HydrophobicContact CD2-CD1 4.36Å; S22-I25 PolarHBondContact O-N 2.92Å; I25-S27 VanDerWaalsContact C-N 3.32Å; I25-S27 PolarHBondContact O-N 3.02Å; I25-A28 WeakPolarHBondContact O-CA 3.43Å; I25-A28 WeakPolarHBondContact O-CB 3.46Å; I25-A28 PolarHBondContact O-N 3.06Å; I25-V29 WeakPolarHBondContact O-CG2 3.45Å; I25-V29 PolarHBondContact O-N 3.47Å; I25-V49 HydrophobicContact CG1-CG1 3.74Å; I25-I50 HydrophobicContact CD1-CD1 4.3Å; I25-I50 HydrophobicContact CD1-CG1 3.9Å; I25-I50 HydrophobicContact CG1-CG1 4.18Å; I25-I50 HydrophobicContact CG2-CD1 3.95Å; I25-I50 HydrophobicContact CG2-CG1 4.46Å
26	E	88.6	Confident	84.8	Confident	28 Å²	28	69.2 Å²	69.2	13%	0.131	37%	0.365	C	S	.	.	H	α-helix	trans	-56.3	-47.1	176.3	-68.1	167.7	-165.6	0	0	111	V10 V14 S21 S22 A28 V29 I30	V10-E26 HydrophobicContact CG1-CB 4.42Å; V14-E26 HydrophobicContact CB-CG 4.17Å; V14-E26 HydrophobicContact CG1-CG 4.14Å; V14-E26 HydrophobicContact CG2-CG 4.07Å; S21-E26 PolarHBondContact OG-OE1 2.91Å; S22-E26 PolarHBondContact O-N 2.82Å; E26-A28 VanDerWaalsContact C-N 3.3Å; E26-A28 PolarHBondContact O-N 3.16Å; E26-V29 PolarHBondContact O-N 2.86Å; E26-I30 VanDerWaalsContact O-CG1 3.27Å; E26-I30 WeakPolarHBondContact O-CG1 3.41Å; E26-I30 PolarHBondContact O-N 3.46Å
27	S	86.5	Confident	84.7	Confident	35 Å²	35	61.6 Å²	61.6	25%	0.245	33%	0.331	C	S	.	.	H	α-helix	trans	-65.9	-28.8	175.7	62.7	0	0	0	0	113.4	E23 K24 I25 R31	E23-S27 WeakPolarHBondContact O-CB 3.19Å; E23-S27 PolarHBondContact O-N 3.03Å; E23-S27 PolarHBondContact O-OG 3.38Å; K24-S27 PolarHBondContact O-OG 3.21Å; K24-S27 VanDerWaalsContact O-OG 3.06Å; I25-S27 VanDerWaalsContact C-N 3.32Å; I25-S27 PolarHBondContact O-N 3.02Å; S27-R31 VanDerWaalsContact C-NH2 3.3Å; S27-R31 VanDerWaalsContact O-CB 3.28Å; S27-R31 WeakPolarHBondContact O-CB 3.35Å; S27-R31 WeakPolarHBondContact O-CG 3.46Å; S27-R31 VanDerWaalsContact O-CZ 3.31Å; S27-R31 PolarHBondContact O-N 2.84Å; S27-R31 VanDerWaalsContact O-N 3.1Å; S27-R31 PolarHBondContact O-NE 3.32Å; S27-R31 PolarHBondContact O-NH2 3.04Å; S27-R31 PolarHBondContact OG-NH2 3.29Å
28	A	87.5	Confident	84.6	Confident	18 Å²	18	66.6 Å²	66.6	15%	0.149	36%	0.358	C	S	.	.	H	α-helix	trans	-70.6	-40.8	174.1	0	0	0	0	0	112.1	K24 I25 E26 G32 L46 V49	K24-A28 WeakPolarHBondContact O-CB 3.27Å; K24-A28 PolarHBondContact O-N 3.03Å; I25-A28 WeakPolarHBondContact O-CA 3.43Å; I25-A28 WeakPolarHBondContact O-CB 3.46Å; I25-A28 PolarHBondContact O-N 3.06Å; E26-A28 VanDerWaalsContact C-N 3.3Å; E26-A28 PolarHBondContact O-N 3.16Å; A28-G32 PolarHBondContact O-N 3.45Å; A28-G32 VanDerWaalsContact O-N 3.08Å; A28-L46 HydrophobicContact CB-CD2 4.37Å; A28-V49 HydrophobicContact CB-CG2 4.26Å
29	V	87.7	Confident	84.7	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.006	38%	0.38	C	S	.	.	H	α-helix	trans	-66	-49	175.9	174.6	0	0	0	0	110.7	V10 V14 I25 E26 R31 G32 L33 F42 L46 I59 V63	V10-V29 HydrophobicContact CB-CG1 4.48Å; V10-V29 HydrophobicContact CG1-CB 3.8Å; V10-V29 HydrophobicContact CG1-CG1 3.6Å; V10-V29 HydrophobicContact CG2-CG1 4.04Å; V14-V29 HydrophobicContact CG2-CG2 4.45Å; I25-V29 WeakPolarHBondContact O-CG2 3.45Å; I25-V29 PolarHBondContact O-N 3.47Å; E26-V29 PolarHBondContact O-N 2.86Å; V29-R31 VanDerWaalsContact C-N 3.35Å; V29-R31 PolarHBondContact O-N 3.3Å; V29-G32 WeakPolarHBondContact O-CA 3.28Å; V29-G32 PolarHBondContact O-N 2.8Å; V29-L33 HydrophobicContact CG1-CD1 4.16Å; V29-L33 PolarHBondContact O-N 3.34Å; V29-F42 HydrophobicContact CG1-CZ 4.2Å; V29-L46 HydrophobicContact CG2-CD2 4.03Å; V29-I59 HydrophobicContact CG2-CG2 4.06Å; V29-V63 HydrophobicContact CG1-CG2 4.07Å
30	I	87.2	Confident	84.8	Confident	39 Å²	39	77.1 Å²	77.1	20%	0.2	39%	0.387	C	S	.	.	H	α-helix	trans	-58.2	-46.1	177	-66.6	164.7	0	0	0	110.8	I7 V10 E26 G32 L33 D34	I7-I30 HydrophobicContact CG1-CD1 4.3Å; I7-I30 HydrophobicContact CG2-CD1 4.46Å; V10-I30 HydrophobicContact CB-CG1 4.4Å; V10-I30 HydrophobicContact CG1-CG1 4.16Å; V10-I30 HydrophobicContact CG2-CG1 4.31Å; E26-I30 VanDerWaalsContact O-CG1 3.27Å; E26-I30 WeakPolarHBondContact O-CG1 3.41Å; E26-I30 PolarHBondContact O-N 3.46Å; I30-G32 PolarHBondContact O-N 3.43Å; I30-L33 PolarHBondContact O-N 3.17Å; I30-D34 WeakPolarHBondContact O-CB 3.43Å; I30-D34 PolarHBondContact O-N 2.85Å
31	R	84.3	Confident	84.9	Confident	129 Å²	129	77.6 Å²	77.6	49%	0.487	39%	0.388	S	S	.	.	H	α-helix	trans	-63.6	-29.1	176.6	-77.9	-179	-67.2	-120.4	-4	113.4	S27 V29 R35	S27-R31 VanDerWaalsContact C-NH2 3.3Å; S27-R31 VanDerWaalsContact O-CB 3.28Å; S27-R31 WeakPolarHBondContact O-CB 3.35Å; S27-R31 WeakPolarHBondContact O-CG 3.46Å; S27-R31 VanDerWaalsContact O-CZ 3.31Å; S27-R31 PolarHBondContact O-N 2.84Å; S27-R31 VanDerWaalsContact O-N 3.1Å; S27-R31 PolarHBondContact O-NE 3.32Å; S27-R31 PolarHBondContact O-NH2 3.04Å; S27-R31 PolarHBondContact OG-NH2 3.29Å; V29-R31 VanDerWaalsContact C-N 3.35Å; V29-R31 PolarHBondContact O-N 3.3Å; R31-R35 WeakPolarHBondContact O-CB 3.36Å; R31-R35 WeakPolarHBondContact O-CG 3.38Å; R31-R35 PolarHBondContact O-N 3.04Å
32	G	85.4	Confident	85.4	Confident	2 Å²	2	74.1 Å²	74.1	2%	0.021	36%	0.363	C	S	.	.	H	α-helix	trans	-72.2	-42.3	176.1	0	0	0	0	0	112.2	A28 V29 I30 G36 Y37	A28-G32 PolarHBondContact O-N 3.45Å; A28-G32 VanDerWaalsContact O-N 3.08Å; V29-G32 WeakPolarHBondContact O-CA 3.28Å; V29-G32 PolarHBondContact O-N 2.8Å; I30-G32 PolarHBondContact O-N 3.43Å; G32-G36 PolarHBondContact O-N 3.43Å; G32-Y37 PolarHBondContact O-N 2.81Å
33	L	83.9	Confident	85.7	Confident	47 Å²	47	77.5 Å²	77.5	25%	0.246	37%	0.371	C	S	.	.	H	α-helix	trans	-65.8	-49.8	175.6	-72.9	168.8	0	0	0	111.7	V10 V29 I30 R35 G36 V63 F69	V10-L33 HydrophobicContact CG2-CD1 4.04Å; V29-L33 HydrophobicContact CG1-CD1 4.16Å; V29-L33 PolarHBondContact O-N 3.34Å; I30-L33 PolarHBondContact O-N 3.17Å; L33-R35 PolarHBondContact O-N 3.13Å; L33-G36 PolarHBondContact O-N 3.3Å; L33-G36 VanDerWaalsContact O-N 3.17Å; L33-V63 HydrophobicContact CD1-CG1 4.22Å; L33-V63 HydrophobicContact CD2-CG1 3.67Å; L33-V63 HydrophobicContact CG-CG1 4.14Å; L33-F69 HydrophobicContact CD1-CD1 4.21Å; L33-F69 HydrophobicContact CD1-CE1 3.82Å; L33-F69 HydrophobicContact CD1-CE2 4.26Å; L33-F69 HydrophobicContact CD1-CZ 3.85Å; L33-F69 HydrophobicContact CD2-CD1 4.49Å; L33-F69 HydrophobicContact CD2-CG 4.33Å
34	D	80.4	Confident	85.9	Confident	107 Å²	107	77.4 Å²	77.4	57%	0.572	37%	0.368	S	S	*	.	H	α-helix	trans	-60.8	-29.4	179.9	-81.6	-10.9	0	0	0	113.6	I30	I30-D34 WeakPolarHBondContact O-CB 3.43Å; I30-D34 PolarHBondContact O-N 2.85Å
35	R	80.1	Confident	86	Confident	156 Å²	156	75.9 Å²	75.9	59%	0.589	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-2.2	-177.6	-70.3	-177	171.2	-156	-0.8	113.8	R31 L33 Y37	R31-R35 WeakPolarHBondContact O-CB 3.36Å; R31-R35 WeakPolarHBondContact O-CG 3.38Å; R31-R35 PolarHBondContact O-N 3.04Å; L33-R35 PolarHBondContact O-N 3.13Å; R35-Y37 HydrophobicContact CB-CD1 3.87Å; R35-Y37 HydrophobicContact CB-CE1 3.52Å; R35-Y37 WeakPolarHBondContact CD-OH 3.26Å; R35-Y37 HydrophobicContact CG-CE1 4.33Å; R35-Y37 PolarHBondContact NH1-OH 3.4Å
36	G	83.4	Confident	86	Confident	59 Å²	59	75.7 Å²	75.7	61%	0.608	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	51.5	-178.3	0	0	0	0	0	112.7	G32 L33	G32-G36 PolarHBondContact O-N 3.43Å; L33-G36 PolarHBondContact O-N 3.3Å; L33-G36 VanDerWaalsContact O-N 3.17Å
37	Y	84.7	Confident	86	Confident	28 Å²	28	82.2 Å²	82.2	11%	0.11	38%	0.38	C	S	.	.			trans	-71.4	133.4	176.8	-69.3	-18.6	0	0	0	111.7	G32 R35 K41 R45	G32-Y37 PolarHBondContact O-N 2.81Å; R35-Y37 HydrophobicContact CB-CD1 3.87Å; R35-Y37 HydrophobicContact CB-CE1 3.52Å; R35-Y37 WeakPolarHBondContact CD-OH 3.26Å; R35-Y37 HydrophobicContact CG-CE1 4.33Å; R35-Y37 PolarHBondContact NH1-OH 3.4Å; Y37-K41 HydrophobicContact CD1-CD 3.69Å; Y37-K41 HydrophobicContact CD1-CG 4.17Å; Y37-K41 HydrophobicContact CE1-CD 4.17Å; Y37-K41 HydrophobicContact CG-CD 4.08Å; Y37-K41 HydrophobicContact CG-CG 4.09Å; Y37-R45 HydrophobicContact CD2-CG 4.45Å; Y37-R45 HydrophobicContact CE2-CG 4.04Å
38	D	83.9	Confident	86.1	Confident	126 Å²	126	87.7 Å²	87.7	67%	0.674	40%	0.399	S	S	*	.			trans	-59	152.3	165.4	-57.9	-34.4	0	0	0	110.7	K40 K41 F42	D38-K40 VanDerWaalsContact C-N 3.27Å; D38-K40 PolarHBondContact O-N 3.25Å; D38-K40 VanDerWaalsContact O-N 3.14Å; D38-K41 CarbonylContact O-C 3.58Å; D38-K41 WeakPolarHBondContact O-CA 3.47Å; D38-K41 WeakPolarHBondContact O-CB 3.25Å; D38-K41 PolarHBondContact O-N 2.62Å; D38-F42 PolarHBondContact O-N 3.05Å
39	E	86.1	Confident	86.1	Confident	117 Å²	117	89.5 Å²	89.5	55%	0.547	41%	0.408	S	S	.	.	H	α-helix	trans	-47.5	-46.7	-177.3	-163.9	-169.8	151.3	0	0	112.9	K41 F42 R43 V60 F64	E39-K41 VanDerWaalsContact C-N 3.31Å; E39-K41 PolarHBondContact O-N 3.45Å; E39-F42 WeakPolarHBondContact O-CB 3.01Å; E39-F42 PolarHBondContact O-N 3.04Å; E39-R43 WeakPolarHBondContact O-CB 3.49Å; E39-R43 PolarHBondContact O-N 3.36Å; E39-V60 HydrophobicContact CG-CG1 3.51Å; E39-F64 HydrophobicContact CB-CZ 4.37Å
40	K	85	Confident	86.2	Confident	189 Å²	189	89.9 Å²	89.9	82%	0.822	41%	0.41	S	S	*	.	H	α-helix	trans	-59.5	-38.7	176.5	-67.6	-176.7	-179.6	178.8	0	113.1	D38 K44	D38-K40 VanDerWaalsContact C-N 3.27Å; D38-K40 PolarHBondContact O-N 3.25Å; D38-K40 VanDerWaalsContact O-N 3.14Å; K40-K44 WeakPolarHBondContact O-CB 3.26Å; K40-K44 PolarHBondContact O-N 3.19Å
41	K	85.5	Confident	86	Confident	111 Å²	111	96 Å²	96	48%	0.483	44%	0.444	S	S	.	.	H	α-helix	trans	-78.8	-33.4	-178.9	-170.8	176.2	-177.6	178.9	0	111.3	Y37 D38 E39 R45	Y37-K41 HydrophobicContact CD1-CD 3.69Å; Y37-K41 HydrophobicContact CD1-CG 4.17Å; Y37-K41 HydrophobicContact CE1-CD 4.17Å; Y37-K41 HydrophobicContact CG-CD 4.08Å; Y37-K41 HydrophobicContact CG-CG 4.09Å; D38-K41 CarbonylContact O-C 3.58Å; D38-K41 WeakPolarHBondContact O-CA 3.47Å; D38-K41 WeakPolarHBondContact O-CB 3.25Å; D38-K41 PolarHBondContact O-N 2.62Å; E39-K41 VanDerWaalsContact C-N 3.31Å; E39-K41 PolarHBondContact O-N 3.45Å; K41-R45 WeakPolarHBondContact O-CG 3.2Å; K41-R45 PolarHBondContact O-N 3.01Å
42	F	90.4	Very high	86.1	Confident	5 Å²	5	92 Å²	92	2%	0.022	44%	0.435	C	S	.	.	H	α-helix	trans	-63.8	-51.4	173.5	-155.1	-81.1	0	0	0	110.5	V29 D38 E39 K44 R45 L46 V60 V63 F64	V29-F42 HydrophobicContact CG1-CZ 4.2Å; D38-F42 PolarHBondContact O-N 3.05Å; E39-F42 WeakPolarHBondContact O-CB 3.01Å; E39-F42 PolarHBondContact O-N 3.04Å; F42-K44 PolarHBondContact O-N 2.81Å; F42-R45 PolarHBondContact O-N 2.86Å; F42-L46 HydrophobicContact CD1-CD1 3.66Å; F42-L46 HydrophobicContact CD1-CG 4.14Å; F42-L46 HydrophobicContact CE1-CD1 3.56Å; F42-L46 HydrophobicContact CE1-CG 4.13Å; F42-L46 PolarHBondContact O-N 3.3Å; F42-V60 HydrophobicContact CD1-CG2 3.79Å; F42-V60 HydrophobicContact CE1-CG2 4.42Å; F42-V63 HydrophobicContact CZ-CG1 4.15Å; F42-F64 HydrophobicContact CB-CE2 4.29Å; F42-F64 HydrophobicContact CD2-CE2 4.16Å; F42-F64 HydrophobicContact CG-CE2 4.12Å
43	R	90.5	Very high	86.2	Confident	103 Å²	103	94.1 Å²	94.1	39%	0.389	44%	0.444	S	S	.	.	H	α-helix	trans	-55.7	-47.2	176.5	-162.8	172.2	176.9	172.5	1.9	112.5	E39 R45 L46 R47 E53 V56 V60	E39-R43 WeakPolarHBondContact O-CB 3.49Å; E39-R43 PolarHBondContact O-N 3.36Å; R43-R45 VanDerWaalsContact C-N 3.26Å; R43-R45 PolarHBondContact O-N 3.16Å; R43-L46 PolarHBondContact O-N 3Å; R43-R47 PolarHBondContact O-N 2.82Å; R43-E53 IonicContact CZ-OE1 3.56Å; R43-E53 IonicContact NE-OE1 3.47Å; R43-E53 PolarHBondContact NE-OE1 2.66Å; R43-E53 IonicContact NH2-OE1 2.76Å; R43-E53 PolarHBondContact NH2-OE1 3.26Å; R43-V56 HydrophobicContact CG-CG1 3.8Å; R43-V60 HydrophobicContact CB-CG2 4.44Å
44	K	88.9	Confident	86.4	Confident	157 Å²	157	98 Å²	98	68%	0.683	47%	0.465	S	S	*	.	H	α-helix	trans	-62	-27.8	177.2	-171.9	172.5	-175.6	171.1	0	114	K40 F42	K40-K44 WeakPolarHBondContact O-CB 3.26Å; K40-K44 PolarHBondContact O-N 3.19Å; F42-K44 PolarHBondContact O-N 2.81Å
45	R	87.6	Confident	86.7	Confident	129 Å²	129	96.6 Å²	96.6	49%	0.487	45%	0.454	S	S	.	.	H	α-helix	trans	-85.6	-36.7	179.6	-75.5	-73.1	-178.6	169.7	-1.6	112	Y37 K41 F42 R43 K48	Y37-R45 HydrophobicContact CD2-CG 4.45Å; Y37-R45 HydrophobicContact CE2-CG 4.04Å; K41-R45 WeakPolarHBondContact O-CG 3.2Å; K41-R45 PolarHBondContact O-N 3.01Å; F42-R45 PolarHBondContact O-N 2.86Å; R43-R45 VanDerWaalsContact C-N 3.26Å; R43-R45 PolarHBondContact O-N 3.16Å; R45-K48 WeakPolarHBondContact O-CB 3.33Å; R45-K48 PolarHBondContact O-N 3.18Å
46	L	89	Confident	87.1	Confident	3 Å²	3	89.1 Å²	89.1	2%	0.016	43%	0.426	C	S	.	.	H	α-helix	trans	-67.3	-35.6	174.1	-79.2	178.8	0	0	0	112.6	A28 V29 F42 R43 K48 V49 I50 V56 I59 V60	A28-L46 HydrophobicContact CB-CD2 4.37Å; V29-L46 HydrophobicContact CG2-CD2 4.03Å; F42-L46 HydrophobicContact CD1-CD1 3.66Å; F42-L46 HydrophobicContact CD1-CG 4.14Å; F42-L46 HydrophobicContact CE1-CD1 3.56Å; F42-L46 HydrophobicContact CE1-CG 4.13Å; F42-L46 PolarHBondContact O-N 3.3Å; R43-L46 PolarHBondContact O-N 3Å; L46-K48 PolarHBondContact O-N 3.34Å; L46-V49 PolarHBondContact O-N 2.76Å; L46-I50 HydrophobicContact CD2-CD1 4.28Å; L46-I50 PolarHBondContact O-N 3.41Å; L46-V56 HydrophobicContact CB-CG1 3.75Å; L46-V56 HydrophobicContact CB-CG2 4.13Å; L46-V56 HydrophobicContact CD1-CG1 4.21Å; L46-I59 HydrophobicContact CD1-CB 4.27Å; L46-I59 HydrophobicContact CD1-CG2 3.79Å; L46-V60 HydrophobicContact CD1-CG2 4.01Å
47	R	89.1	Confident	87.4	Confident	165 Å²	165	88 Å²	88	62%	0.623	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-9.2	173.6	-150	-173.3	-150.9	-148.3	3.2	115	R43 E53	R43-R47 PolarHBondContact O-N 2.82Å; R47-E53 IonicContact CZ-OE2 3.8Å; R47-E53 VanDerWaalsContact CZ-OE2 3.26Å; R47-E53 IonicContact NE-OE2 2.65Å; R47-E53 PolarHBondContact NE-OE2 2.93Å; R47-E53 IonicContact NH2-OE2 2.98Å; R47-E53 PolarHBondContact NH2-OE2 3.47Å
48	K	88	Confident	87.6	Confident	151 Å²	151	91.3 Å²	91.3	66%	0.657	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-10.2	173.8	-64	-170.8	173.4	-158.6	0	113.4	R45 L46	R45-K48 WeakPolarHBondContact O-CB 3.33Å; R45-K48 PolarHBondContact O-N 3.18Å; L46-K48 PolarHBondContact O-N 3.34Å
49	V	87.5	Confident	87.8	Confident	56 Å²	56	85.3 Å²	85.3	34%	0.339	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-22.1	-172.8	-163.8	0	0	0	0	111.2	K24 I25 A28 L46	K24-V49 HydrophobicContact CB-CG1 4.15Å; I25-V49 HydrophobicContact CG1-CG1 3.74Å; A28-V49 HydrophobicContact CB-CG2 4.26Å; L46-V49 PolarHBondContact O-N 2.76Å
50	I	88.7	Confident	87.8	Confident	8 Å²	8	79.9 Å²	79.9	4%	0.041	37%	0.37	C	S	.	.			trans	-124.6	125.8	178.3	-56.4	175.8	0	0	0	108.1	L18 I25 L46 K55 V56 I59	L18-I50 HydrophobicContact CD1-CD1 4.27Å; I25-I50 HydrophobicContact CD1-CD1 4.3Å; I25-I50 HydrophobicContact CD1-CG1 3.9Å; I25-I50 HydrophobicContact CG1-CG1 4.18Å; I25-I50 HydrophobicContact CG2-CD1 3.95Å; I25-I50 HydrophobicContact CG2-CG1 4.46Å; L46-I50 HydrophobicContact CD2-CD1 4.28Å; L46-I50 PolarHBondContact O-N 3.41Å; I50-K55 HydrophobicContact CG2-CB 4.12Å; I50-V56 HydrophobicContact CB-CG2 3.71Å; I50-V56 HydrophobicContact CD1-CG2 4.32Å; I50-V56 HydrophobicContact CG2-CG2 3.8Å; I50-I59 HydrophobicContact CD1-CD1 3.38Å
51	D	84.4	Confident	87.9	Confident	169 Å²	169	76.9 Å²	76.9	90%	0.904	36%	0.359	S	S	*	.	S	Bend	trans	-81.5	-26.4	-176.8	-60.7	-37.4	0	0	0	113.3
52	S	86.6	Confident	87.9	Confident	43 Å²	43	73.9 Å²	73.9	30%	0.301	35%	0.35	S	S	.	.			trans	-87.1	119.5	179.5	171	0	0	0	0	111.6	D54 K55 V56	S52-D54 VanDerWaalsContact C-N 3.32Å; S52-D54 PolarHBondContact O-N 3.27Å; S52-K55 PolarHBondContact O-N 3.47Å; S52-V56 WeakPolarHBondContact O-CG2 3.32Å; S52-V56 PolarHBondContact O-N 3.38Å
53	E	86.9	Confident	87.5	Confident	48 Å²	48	74.1 Å²	74.1	22%	0.224	35%	0.352	C	S	.	.	H	α-helix	trans	-64.6	-34.3	179.6	-169.8	66.6	-147.7	0	0	112.7	R43 R47 V56 A57	R43-E53 IonicContact CZ-OE1 3.56Å; R43-E53 IonicContact NE-OE1 3.47Å; R43-E53 PolarHBondContact NE-OE1 2.66Å; R43-E53 IonicContact NH2-OE1 2.76Å; R43-E53 PolarHBondContact NH2-OE1 3.26Å; R47-E53 IonicContact CZ-OE2 3.8Å; R47-E53 VanDerWaalsContact CZ-OE2 3.26Å; R47-E53 IonicContact NE-OE2 2.65Å; R47-E53 PolarHBondContact NE-OE2 2.93Å; R47-E53 IonicContact NH2-OE2 2.98Å; R47-E53 PolarHBondContact NH2-OE2 3.47Å; E53-V56 WeakPolarHBondContact O-CB 3.18Å; E53-V56 PolarHBondContact O-N 2.9Å; E53-A57 PolarHBondContact O-N 2.83Å
54	D	87.8	Confident	87	Confident	127 Å²	127	73.6 Å²	73.6	68%	0.679	35%	0.352	S	S	*	.	H	α-helix	trans	-66.6	-44.9	-179.1	-54.6	-36.5	0	0	0	111.1	S52 V56 A57 E58	S52-D54 VanDerWaalsContact C-N 3.32Å; S52-D54 PolarHBondContact O-N 3.27Å; D54-V56 VanDerWaalsContact C-N 3.26Å; D54-V56 PolarHBondContact O-N 3.24Å; D54-A57 WeakPolarHBondContact O-CB 3.39Å; D54-A57 PolarHBondContact O-N 3.22Å; D54-A57 VanDerWaalsContact O-N 3.15Å; D54-E58 PolarHBondContact O-N 2.86Å
55	K	87	Confident	86.5	Confident	78 Å²	78	71.6 Å²	71.6	34%	0.339	35%	0.349	S	S	.	.	H	α-helix	trans	-63.8	-33.6	175.3	-64.8	-172.5	-178.2	-176.6	0	112.1	I17 L18 I50 S52 I59	I17-K55 HydrophobicContact CG2-CB 4.38Å; L18-K55 HydrophobicContact CD2-CD 3.7Å; L18-K55 HydrophobicContact CG-CD 4.48Å; I50-K55 HydrophobicContact CG2-CB 4.12Å; S52-K55 PolarHBondContact O-N 3.47Å; K55-I59 WeakPolarHBondContact O-CD1 3.25Å; K55-I59 VanDerWaalsContact O-CG1 3.23Å; K55-I59 WeakPolarHBondContact O-CG1 3.19Å; K55-I59 PolarHBondContact O-N 3.08Å; K55-I59 VanDerWaalsContact O-N 3.09Å
56	V	89.3	Confident	85.7	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-67.4	-42.3	174.9	173.2	0	0	0	0	110.8	R43 L46 I50 S52 E53 D54 V60	R43-V56 HydrophobicContact CG-CG1 3.8Å; L46-V56 HydrophobicContact CB-CG1 3.75Å; L46-V56 HydrophobicContact CB-CG2 4.13Å; L46-V56 HydrophobicContact CD1-CG1 4.21Å; I50-V56 HydrophobicContact CB-CG2 3.71Å; I50-V56 HydrophobicContact CD1-CG2 4.32Å; I50-V56 HydrophobicContact CG2-CG2 3.8Å; S52-V56 WeakPolarHBondContact O-CG2 3.32Å; S52-V56 PolarHBondContact O-N 3.38Å; E53-V56 WeakPolarHBondContact O-CB 3.18Å; E53-V56 PolarHBondContact O-N 2.9Å; D54-V56 VanDerWaalsContact C-N 3.26Å; D54-V56 PolarHBondContact O-N 3.24Å; V56-V60 WeakPolarHBondContact O-CG2 3.31Å; V56-V60 PolarHBondContact O-N 3.09Å; V56-V60 VanDerWaalsContact O-N 3.08Å
57	A	88.6	Confident	83.9	Confident	35 Å²	35	78.7 Å²	78.7	29%	0.289	39%	0.387	S	S	.	.	H	α-helix	trans	-62.8	-45.3	176.9	0	0	0	0	0	111.5	E53 D54 I59 V60 E61	E53-A57 PolarHBondContact O-N 2.83Å; D54-A57 WeakPolarHBondContact O-CB 3.39Å; D54-A57 PolarHBondContact O-N 3.22Å; D54-A57 VanDerWaalsContact O-N 3.15Å; A57-I59 PolarHBondContact O-N 3.16Å; A57-V60 PolarHBondContact O-N 3.17Å; A57-E61 WeakPolarHBondContact O-CB 3.45Å; A57-E61 PolarHBondContact O-N 2.84Å
58	E	88.8	Confident	82	Confident	97 Å²	97	77.3 Å²	77.3	45%	0.453	39%	0.392	S	S	.	.	H	α-helix	trans	-64.4	-39.2	179.8	-163	178.7	178.5	0	0	112.5	I17 D54 T62	I17-E58 HydrophobicContact CD1-CB 4.47Å; I17-E58 HydrophobicContact CD1-CG 4.11Å; I17-E58 HydrophobicContact CG1-CG 4.2Å; I17-E58 HydrophobicContact CG2-CB 4.22Å; I17-E58 HydrophobicContact CG2-CG 4.31Å; D54-E58 PolarHBondContact O-N 2.86Å; E58-T62 WeakPolarHBondContact O-CB 3.46Å; E58-T62 VanDerWaalsContact O-CG2 3.27Å; E58-T62 WeakPolarHBondContact O-CG2 3.26Å; E58-T62 PolarHBondContact O-N 3.25Å; E58-T62 PolarHBondContact O-OG1 3.29Å
59	I	87.6	Confident	80.2	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-66	-40.6	174	-69	165.7	0	0	0	111.1	I17 L18 V29 L46 I50 K55 A57 T62 V63	I17-I59 HydrophobicContact CB-CG1 4.27Å; I17-I59 HydrophobicContact CD1-CB 4.33Å; I17-I59 HydrophobicContact CD1-CG1 3.6Å; I17-I59 HydrophobicContact CG2-CD1 4.44Å; I17-I59 HydrophobicContact CG2-CG1 3.99Å; L18-I59 HydrophobicContact CD1-CD1 3.95Å; V29-I59 HydrophobicContact CG2-CG2 4.06Å; L46-I59 HydrophobicContact CD1-CB 4.27Å; L46-I59 HydrophobicContact CD1-CG2 3.79Å; I50-I59 HydrophobicContact CD1-CD1 3.38Å; K55-I59 WeakPolarHBondContact O-CD1 3.25Å; K55-I59 VanDerWaalsContact O-CG1 3.23Å; K55-I59 WeakPolarHBondContact O-CG1 3.19Å; K55-I59 PolarHBondContact O-N 3.08Å; K55-I59 VanDerWaalsContact O-N 3.09Å; A57-I59 PolarHBondContact O-N 3.16Å; I59-T62 WeakPolarHBondContact CA-OG1 3.41Å; I59-T62 PolarHBondContact O-OG1 2.61Å; I59-T62 VanDerWaalsContact O-OG1 3.14Å; I59-V63 HydrophobicContact CG2-CG2 4.19Å; I59-V63 VanDerWaalsContact O-CB 3.24Å; I59-V63 WeakPolarHBondContact O-CB 2.96Å; I59-V63 WeakPolarHBondContact O-CG2 3.26Å; I59-V63 PolarHBondContact O-N 3.19Å
60	V	87.9	Confident	78	Confident	4 Å²	4	74.7 Å²	74.7	2%	0.024	39%	0.386	C	S	.	.	H	α-helix	trans	-65	-47.9	178.2	170.8	0	0	0	0	110.3	E39 F42 R43 L46 V56 A57 V63 F64	E39-V60 HydrophobicContact CG-CG1 3.51Å; F42-V60 HydrophobicContact CD1-CG2 3.79Å; F42-V60 HydrophobicContact CE1-CG2 4.42Å; R43-V60 HydrophobicContact CB-CG2 4.44Å; L46-V60 HydrophobicContact CD1-CG2 4.01Å; V56-V60 WeakPolarHBondContact O-CG2 3.31Å; V56-V60 PolarHBondContact O-N 3.09Å; V56-V60 VanDerWaalsContact O-N 3.08Å; A57-V60 PolarHBondContact O-N 3.17Å; V60-V63 PolarHBondContact O-N 2.96Å; V60-F64 HydrophobicContact CG1-CD2 4Å; V60-F64 HydrophobicContact CG1-CE2 4.23Å; V60-F64 WeakPolarHBondContact O-CB 3.47Å; V60-F64 VanDerWaalsContact O-CD2 3.25Å; V60-F64 WeakPolarHBondContact O-CD2 3.29Å; V60-F64 PolarHBondContact O-N 3.2Å
61	E	86.9	Confident	75.6	Confident	125 Å²	125	85.5 Å²	85.5	58%	0.584	43%	0.427	S	S	*	.	H	α-helix	trans	-63.4	-44.7	-178.8	-171.4	171.9	-168.9	0	0	112	A57 N65	A57-E61 WeakPolarHBondContact O-CB 3.45Å; A57-E61 PolarHBondContact O-N 2.84Å; E61-N65 VanDerWaalsContact O-CB 3.22Å; E61-N65 WeakPolarHBondContact O-CB 3.48Å; E61-N65 VanDerWaalsContact O-CG 3.28Å; E61-N65 PolarHBondContact O-N 2.85Å; E61-N65 PolarHBondContact O-ND2 3.09Å
62	T	85.2	Confident	73.6	Confident	48 Å²	48	84.8 Å²	84.8	29%	0.294	42%	0.418	S	S	.	.	H	α-helix	trans	-65.8	-41.1	177.6	51.1	0	0	0	0	112.9	I17 E58 I59 L66	I17-T62 HydrophobicContact CD1-CG2 4.18Å; E58-T62 WeakPolarHBondContact O-CB 3.46Å; E58-T62 VanDerWaalsContact O-CG2 3.27Å; E58-T62 WeakPolarHBondContact O-CG2 3.26Å; E58-T62 PolarHBondContact O-N 3.25Å; E58-T62 PolarHBondContact O-OG1 3.29Å; I59-T62 WeakPolarHBondContact CA-OG1 3.41Å; I59-T62 PolarHBondContact O-OG1 2.61Å; I59-T62 VanDerWaalsContact O-OG1 3.14Å; T62-L66 WeakPolarHBondContact O-CD1 3.39Å; T62-L66 VanDerWaalsContact O-CG 3.29Å; T62-L66 WeakPolarHBondContact O-CG 3.46Å; T62-L66 PolarHBondContact O-N 3.48Å
63	V	82.3	Confident	71.3	Confident	10 Å²	10	91.2 Å²	91.2	6%	0.061	44%	0.443	C	S	.	.	H	α-helix	trans	-69.6	-35.5	179.5	171.6	0	0	0	0	112.3	V13 V29 L33 F42 I59 V60	V13-V63 HydrophobicContact CG1-CG2 4.46Å; V29-V63 HydrophobicContact CG1-CG2 4.07Å; L33-V63 HydrophobicContact CD1-CG1 4.22Å; L33-V63 HydrophobicContact CD2-CG1 3.67Å; L33-V63 HydrophobicContact CG-CG1 4.14Å; F42-V63 HydrophobicContact CZ-CG1 4.15Å; I59-V63 HydrophobicContact CG2-CG2 4.19Å; I59-V63 VanDerWaalsContact O-CB 3.24Å; I59-V63 WeakPolarHBondContact O-CB 2.96Å; I59-V63 WeakPolarHBondContact O-CG2 3.26Å; I59-V63 PolarHBondContact O-N 3.19Å; V60-V63 PolarHBondContact O-N 2.96Å
64	F	80	Confident	68.9	Low	92 Å²	92	91.5 Å²	91.5	40%	0.404	45%	0.454	S	S	.	.	H	α-helix	trans	-82.4	-22.4	178.4	-82.9	-100.1	0	0	0	113.6	E39 F42 V60	E39-F64 HydrophobicContact CB-CZ 4.37Å; F42-F64 HydrophobicContact CB-CE2 4.29Å; F42-F64 HydrophobicContact CD2-CE2 4.16Å; F42-F64 HydrophobicContact CG-CE2 4.12Å; V60-F64 HydrophobicContact CG1-CD2 4Å; V60-F64 HydrophobicContact CG1-CE2 4.23Å; V60-F64 WeakPolarHBondContact O-CB 3.47Å; V60-F64 VanDerWaalsContact O-CD2 3.25Å; V60-F64 WeakPolarHBondContact O-CD2 3.29Å; V60-F64 PolarHBondContact O-N 3.2Å
65	N	77.6	Confident	66.5	Low	116 Å²	116	95.2 Å²	95.2	62%	0.62	46%	0.464	S	S	*	.	H	α-helix	trans	-85	-14	174.7	-76.4	-24.9	0	0	0	114.2	E61 K67	E61-N65 VanDerWaalsContact O-CB 3.22Å; E61-N65 WeakPolarHBondContact O-CB 3.48Å; E61-N65 VanDerWaalsContact O-CG 3.28Å; E61-N65 PolarHBondContact O-N 2.85Å; E61-N65 PolarHBondContact O-ND2 3.09Å; N65-K67 PolarHBondContact O-N 2.92Å
66	L	69.6	Low	63.9	Low	72 Å²	72	102.2 Å²	102.2	38%	0.377	49%	0.488	S	S	.	.			trans	-70.1	100.3	172.5	-79	161.5	0	0	0	110.1	V13 T62 D68 F69	V13-L66 HydrophobicContact CG2-CD1 3.97Å; T62-L66 WeakPolarHBondContact O-CD1 3.39Å; T62-L66 VanDerWaalsContact O-CG 3.29Å; T62-L66 WeakPolarHBondContact O-CG 3.46Å; T62-L66 PolarHBondContact O-N 3.48Å; L66-D68 PolarHBondContact O-N 3.19Å; L66-F69 HydrophobicContact CB-CD2 4.49Å
67	K	51.5	Low	61.4	Low	208 Å²	208	106.7 Å²	106.7	90%	0.904	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	0.9	-175.2	-98.9	178.8	175.8	176.6	0	116.5	N65	N65-K67 PolarHBondContact O-N 2.92Å
68	D	50.1	Low	59	Low	136 Å²	136	116.6 Å²	116.6	73%	0.727	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119	15.6	-167.2	-69.7	-37.6	0	0	0	116.3	L66 P70	L66-D68 PolarHBondContact O-N 3.19Å; D68-P70 VanDerWaalsContact O-CD 3.25Å; D68-P70 WeakPolarHBondContact O-CD 3.37Å
69	F	49.3	Very low	56.5	Low	51 Å²	51	118.1 Å²	118.1	22%	0.224	56%	0.555	C	S	.	*			trans	-86.3	113.3	171.1	-86.2	-80.6	0	0	0	111.7	M9 V10 L33 L66 R71	M9-F69 HydrophobicContact CE-CE2 4.42Å; M9-F69 HydrophobicContact CE-CZ 4.1Å; V10-F69 HydrophobicContact CG2-CZ 4.22Å; L33-F69 HydrophobicContact CD1-CD1 4.21Å; L33-F69 HydrophobicContact CD1-CE1 3.82Å; L33-F69 HydrophobicContact CD1-CE2 4.26Å; L33-F69 HydrophobicContact CD1-CZ 3.85Å; L33-F69 HydrophobicContact CD2-CD1 4.49Å; L33-F69 HydrophobicContact CD2-CG 4.33Å; L66-F69 HydrophobicContact CB-CD2 4.49Å; F69-R71 PolarHBondContact O-N 3.34Å
70	P	40.9	Very low	53.9	Low	102 Å²	102	121.9 Å²	121.9	66%	0.662	59%	0.586	S	S	*	*			trans	-65.8	111.5	171.3	27.8	-30.8	0	0	0	107	D68 Q72	D68-P70 VanDerWaalsContact O-CD 3.25Å; D68-P70 WeakPolarHBondContact O-CD 3.37Å; P70-Q72 PolarHBondContact O-N 2.84Å
71	R	40.2	Very low	51.6	Low	235 Å²	235	131.3 Å²	131.3	89%	0.887	62%	0.622	S	S	*	*			trans	-57.5	92.4	166.1	-77.7	-179.5	176.8	179.8	-0.2	107.2	F69 E73	F69-R71 PolarHBondContact O-N 3.34Å; R71-E73 VanDerWaalsContact C-N 3.32Å; R71-E73 PolarHBondContact O-N 3.22Å
72	Q	41.3	Very low	49.2	Very low	153 Å²	153	129.1 Å²	129.1	72%	0.715	63%	0.633	S	S	*	*			trans	-65.2	105.4	160.8	-78.3	-172.6	24.8	0	0	105	P70 A74	P70-Q72 PolarHBondContact O-N 2.84Å; Q72-A74 PolarHBondContact O-N 2.92Å
73	E	37.4	Very low	46.9	Very low	179 Å²	179	133.4 Å²	133.4	84%	0.836	65%	0.654	S	S	*	*			trans	-45.6	111.3	166.4	-70.1	-172.4	147.7	0	0	107.3	R71 K75	R71-E73 VanDerWaalsContact C-N 3.32Å; R71-E73 PolarHBondContact O-N 3.22Å; E73-K75 PolarHBondContact O-N 3.1Å
74	A	37.2	Very low	44.5	Very low	54 Å²	54	136.3 Å²	136.3	45%	0.446	69%	0.686	S	S	.	*			trans	-47.2	119.7	176.3	0	0	0	0	0	106.4	Q72 R76	Q72-A74 PolarHBondContact O-N 2.92Å; A74-R76 PolarHBondContact O-N 3.3Å
75	K	36.9	Very low	42.3	Very low	204 Å²	204	140.9 Å²	140.9	89%	0.887	71%	0.709	S	S	*	*			trans	-57.6	80	175.4	-71.3	176.6	-178.6	167.7	0	108.6	E73 S77	E73-K75 PolarHBondContact O-N 3.1Å; K75-S77 PolarHBondContact O-N 2.81Å; K75-S77 VanDerWaalsContact O-N 3.09Å
76	R	34.1	Very low	40.2	Very low	225 Å²	225	142.8 Å²	142.8	85%	0.849	72%	0.719	S	S	*	*			trans	-73.4	100.2	171.7	-87	-175.5	152.2	-169.8	-3.8	105.4	A74	A74-R76 PolarHBondContact O-N 3.3Å
77	S	35.6	Very low	38.7	Very low	94 Å²	94	147.5 Å²	147.5	66%	0.657	74%	0.741	S	S	*	*			trans	63.1	142.1	159.5	-178.2	0	0	0	0	115.2	K75 F79	K75-S77 PolarHBondContact O-N 2.81Å; K75-S77 VanDerWaalsContact O-N 3.09Å; S77-F79 PolarHBondContact O-N 3.34Å
78	R	38.9	Very low	37.8	Very low	243 Å²	243	143.8 Å²	143.8	92%	0.917	74%	0.736	S	S	*	*	S	Bend	trans	-72.9	23.9	-177.9	-150.4	176	-80.5	166.3	-6.3	112.8
79	F	35.7	Very low	37.2	Very low	130 Å²	130	144.6 Å²	144.6	57%	0.57	74%	0.74	S	S	*	*			trans	-159.2	92.9	-167	-71.7	-103.8	0	0	0	109.8	S77 F488	S77-F79 PolarHBondContact O-N 3.34Å; F79-F488 AromaticContact CD1-CE1 3.94Å; F79-F488 HydrophobicContact CD1-CE1 3.94Å; F79-F488 HydrophobicContact CD1-CE2 4.19Å; F79-F488 AromaticContact CD1-CZ 3.56Å; F79-F488 HydrophobicContact CD1-CZ 3.56Å; F79-F488 AromaticContact CE1-CD1 3.93Å; F79-F488 HydrophobicContact CE1-CD1 3.93Å; F79-F488 AromaticContact CE1-CE1 3.2Å; F79-F488 HydrophobicContact CE1-CE1 3.2Å; F79-F488 HydrophobicContact CE1-CE2 4.23Å; F79-F488 AromaticContact CE1-CZ 3.33Å; F79-F488 HydrophobicContact CE1-CZ 3.33Å; F79-F488 HydrophobicContact CZ-CE1 4.13Å
80	A	32.7	Very low	36.4	Very low	79 Å²	79	149.7 Å²	149.7	65%	0.653	77%	0.77	S	S	*	*			trans	176.4	135.7	148.1	0	0	0	0	0	110.5
81	Y	41.1	Very low	36.1	Very low	202 Å²	202	156.2 Å²	156.2	79%	0.792	78%	0.781	S	S	*	*			trans	77.7	90.3	166	-62.7	-77.5	0	0	0	119.5	N83	Y81-N83 HydrophobicContact CD1-CB 4.25Å
82	G	34.7	Very low	35.6	Very low	79 Å²	79	154.1 Å²	154.1	81%	0.814	78%	0.781	S	S	*	*				-102	107.1	129	0	0	0	0	0	107.2
83	N	37.5	Very low	35.4	Very low	138 Å²	138	153.3 Å²	153.3	74%	0.738	79%	0.786	S	S	*	*			trans	-149.5	123.8	164.7	-92.5	-9.6	0	0	0	107.5	Y81	Y81-N83 HydrophobicContact CD1-CB 4.25Å
84	G	31.8	Very low	35.1	Very low	70 Å²	70	151.3 Å²	151.3	72%	0.722	79%	0.787	S	S	*	*			trans	77.2	83.8	143.6	0	0	0	0	0	118.5
85	E	33.7	Very low	34.9	Very low	189 Å²	189	152.3 Å²	152.3	88%	0.883	80%	0.803	S	S	*	*			trans	-128.8	90.1	139.7	-78.1	-173.8	171.7	0	0	106.7	M87	E85-M87 PolarHBondContact O-N 2.82Å
86	D	34	Very low	34.7	Very low	156 Å²	156	151.1 Å²	151.1	83%	0.834	80%	0.8	S	S	*	*			trans	-71.9	104.5	168.2	-80.9	-32.2	0	0	0	107.9	T88	D86-T88 PolarHBondContact O-N 3.31Å; D86-T88 VanDerWaalsContact O-N 3.16Å
87	M	38.2	Very low	34.7	Very low	171 Å²	171	147.1 Å²	147.1	84%	0.842	80%	0.795	S	S	*	*			trans	-70.7	99.8	163.9	-75.8	-119.2	-159.2	0	0	108.4	E85 N89	E85-M87 PolarHBondContact O-N 2.82Å; M87-N89 PolarHBondContact O-N 2.81Å; M87-N89 VanDerWaalsContact O-N 3.14Å
88	T	32.1	Very low	34.9	Very low	129 Å²	129	149.4 Å²	149.4	79%	0.791	80%	0.8	S	S	*	*			trans	-69.8	101.1	164.7	51.7	0	0	0	0	108.6	D86	D86-T88 PolarHBondContact O-N 3.31Å; D86-T88 VanDerWaalsContact O-N 3.16Å
89	N	38.7	Very low	34.9	Very low	154 Å²	154	149.7 Å²	149.7	82%	0.824	80%	0.801	S	S	*	*			trans	-104	114.6	165.3	-104.3	-9.5	0	0	0	109.1	M87 R91	M87-N89 PolarHBondContact O-N 2.81Å; M87-N89 VanDerWaalsContact O-N 3.14Å; N89-R91 PolarHBondContact O-N 3.47Å
90	N	30.7	Very low	35.1	Very low	157 Å²	157	147.8 Å²	147.8	84%	0.84	81%	0.81	S	S	*	*			trans	-49.5	127.9	169.4	-73.2	-21.7	0	0	0	111.4
91	R	35.6	Very low	35.5	Very low	240 Å²	240	151.5 Å²	151.5	91%	0.906	81%	0.813	S	S	*	*			trans	-154.2	108.3	143.5	-135.5	171.6	177.7	163.5	-1.4	110.5	N89	N89-R91 PolarHBondContact O-N 3.47Å
92	E	30.3	Very low	35.4	Very low	191 Å²	191	146.8 Å²	146.8	89%	0.893	80%	0.801	S	S	*	*			trans	-58.5	125.7	164.4	-65	164.6	150	0	0	109.4
93	V	37.1	Very low	36.1	Very low	135 Å²	135	147.5 Å²	147.5	82%	0.818	79%	0.794	S	S	*	*			trans	-142.6	120.2	148.1	-178.3	0	0	0	0	107
94	T	30.8	Very low	36.3	Very low	137 Å²	137	147.9 Å²	147.9	84%	0.84	79%	0.789	S	S	*	*			trans	-66.8	148	177.8	43	0	0	0	0	111.7
95	G	33.7	Very low	37.3	Very low	76 Å²	76	147.3 Å²	147.3	78%	0.784	77%	0.772	S	S	*	*			trans	179.9	81.4	179.3	0	0	0	0	0	109.6
96	E	32.2	Very low	37.9	Very low	178 Å²	178	144.7 Å²	144.7	83%	0.832	76%	0.759	S	S	*	*			trans	-66.2	168.9	175.5	-74.8	171	138.9	0	0	112.3
97	D	34.1	Very low	38.7	Very low	141 Å²	141	141.1 Å²	141.1	75%	0.754	75%	0.747	S	S	*	*			trans	76	96.5	165.1	-55.2	-23.3	0	0	0	117.5
98	N	39.3	Very low	39.9	Very low	142 Å²	142	138.1 Å²	138.1	76%	0.759	73%	0.731	S	S	*	*			trans	180	28.7	140.6	-89.8	-37.3	0	0	0	114.5
99	R	38.2	Very low	41.3	Very low	249 Å²	249	138 Å²	138	94%	0.94	72%	0.719	S	S	*	*	S	Bend	trans	-90.1	-6.7	-174	-151.7	168.9	-179.7	165.8	-1.3	115.1
100	A	41.5	Very low	42.1	Very low	90 Å²	90	133.1 Å²	133.1	74%	0.744	70%	0.7	S	S	*	*	S	Bend	trans	-100.7	-9.7	-172.1	0	0	0	0	0	115.7
101	H	41.2	Very low	43.9	Very low	157 Å²	157	132 Å²	132	73%	0.727	69%	0.69	S	S	*	*	S	Bend	trans	-101.4	-0.4	-175.5	-102.6	-67.6	0	0	0	115.7
102	L	38.8	Very low	45.6	Very low	104 Å²	104	127.5 Å²	127.5	55%	0.545	68%	0.679	S	S	.	*	S	Bend	trans	-94.1	-19.4	-172	-83.6	146.8	0	0	0	114.8	T105	L102-T105 PolarHBondContact O-OG1 3.14Å
103	S	47.9	Very low	47.3	Very low	93 Å²	93	124 Å²	124	65%	0.65	67%	0.665	S	S	*	*	H	α-helix	trans	-81.7	-27.2	-175.6	58	0	0	0	0	114.3
104	F	41.7	Very low	48.7	Very low	147 Å²	147	123.4 Å²	123.4	65%	0.645	66%	0.655	S	S	*	*	H	α-helix	trans	-81.3	-29.3	-179.5	-157.7	-102.4	0	0	0	112.6	Q108	F104-Q108 VanDerWaalsContact CE1-NE2 3.32Å
105	T	53.7	Low	50.8	Low	58 Å²	58	119.2 Å²	119.2	36%	0.356	63%	0.634	S	S	.	*	H	α-helix	trans	-82	-24.8	-178.3	53.1	0	0	0	0	113.3	L102 K109	L102-T105 PolarHBondContact O-OG1 3.14Å; T105-K109 WeakPolarHBondContact O-CB 3.4Å; T105-K109 WeakPolarHBondContact O-CD 3.39Å; T105-K109 VanDerWaalsContact O-CG 3.25Å; T105-K109 WeakPolarHBondContact O-CG 3.31Å; T105-K109 PolarHBondContact O-N 3.42Å
106	E	46.4	Very low	52.7	Low	134 Å²	134	122.6 Å²	122.6	63%	0.626	63%	0.627	S	S	*	*	H	α-helix	trans	-74.8	-33.9	174.7	-74.2	-176.9	164.2	0	0	112.5	A110	E106-A110 WeakPolarHBondContact O-CB 3.39Å; E106-A110 PolarHBondContact O-N 3.25Å
107	S	51	Low	54.3	Low	81 Å²	81	116.2 Å²	116.2	57%	0.566	61%	0.605	S	S	*	*	H	α-helix	trans	-69.8	-42	177.5	-162.2	0	0	0	0	112.3	A110 E111	S107-A110 PolarHBondContact O-N 2.88Å; S107-E111 PolarHBondContact O-N 3.36Å; S107-E111 VanDerWaalsContact O-N 3.11Å
108	Q	62.5	Low	56	Low	108 Å²	108	116 Å²	116	51%	0.505	60%	0.599	S	S	.	*	H	α-helix	trans	-67.3	-37.7	176.1	-70.3	-175.9	-15.4	0	0	112.3	F104 E111 E112	F104-Q108 VanDerWaalsContact CE1-NE2 3.32Å; Q108-E111 PolarHBondContact O-N 2.91Å; Q108-E112 WeakPolarHBondContact O-CB 3.49Å; Q108-E112 PolarHBondContact O-N 2.85Å
109	K	62.1	Low	57.7	Low	127 Å²	127	118.6 Å²	118.6	55%	0.552	60%	0.599	S	S	*	*	H	α-helix	trans	-65.7	-36.7	173.9	-76.8	173	-177.6	171.7	0	112.3	T105 I113	T105-K109 WeakPolarHBondContact O-CB 3.4Å; T105-K109 WeakPolarHBondContact O-CD 3.39Å; T105-K109 VanDerWaalsContact O-CG 3.25Å; T105-K109 WeakPolarHBondContact O-CG 3.31Å; T105-K109 PolarHBondContact O-N 3.42Å; K109-I113 WeakPolarHBondContact O-CB 3.42Å; K109-I113 WeakPolarHBondContact O-CD1 3.37Å; K109-I113 WeakPolarHBondContact O-CG1 3.47Å; K109-I113 PolarHBondContact O-N 3.17Å
110	A	55.1	Low	59.2	Low	50 Å²	50	112 Å²	112	41%	0.413	58%	0.58	S	S	.	*	H	α-helix	trans	-67.1	-38.2	176	0	0	0	0	0	112.2	E106 S107 M114	E106-A110 WeakPolarHBondContact O-CB 3.39Å; E106-A110 PolarHBondContact O-N 3.25Å; S107-A110 PolarHBondContact O-N 2.88Å; A110-M114 WeakPolarHBondContact O-CG 3.3Å; A110-M114 PolarHBondContact O-N 2.98Å
111	E	68.3	Low	60.3	Low	134 Å²	134	112.7 Å²	112.7	63%	0.626	57%	0.57	S	S	*	*	H	α-helix	trans	-68.9	-41.2	176.9	-161.5	168	-160.2	0	0	112	S107 Q108 M114 A115	S107-E111 PolarHBondContact O-N 3.36Å; S107-E111 VanDerWaalsContact O-N 3.11Å; Q108-E111 PolarHBondContact O-N 2.91Å; E111-M114 PolarHBondContact O-N 3.07Å; E111-A115 WeakPolarHBondContact O-CB 3.42Å; E111-A115 PolarHBondContact O-N 2.93Å
112	E	71.9	Confident	61.7	Low	145 Å²	145	110.8 Å²	110.8	68%	0.678	56%	0.561	S	S	*	*	H	α-helix	trans	-65.9	-39.5	176	-160.7	-178.6	-168.7	0	0	112.3	Q108 A115 K116	Q108-E112 WeakPolarHBondContact O-CB 3.49Å; Q108-E112 PolarHBondContact O-N 2.85Å; E112-A115 PolarHBondContact O-N 3.07Å; E112-K116 WeakPolarHBondContact O-CB 3.5Å; E112-K116 PolarHBondContact O-N 2.69Å
113	I	66.4	Low	63.4	Low	119 Å²	119	112.4 Å²	112.4	61%	0.61	57%	0.566	S	S	*	*	H	α-helix	trans	-65	-39.5	174.2	-69.6	165.8	0	0	0	110.9	K109 A117	K109-I113 WeakPolarHBondContact O-CB 3.42Å; K109-I113 WeakPolarHBondContact O-CD1 3.37Å; K109-I113 WeakPolarHBondContact O-CG1 3.47Å; K109-I113 PolarHBondContact O-N 3.17Å; I113-A117 WeakPolarHBondContact O-CB 3.26Å; I113-A117 PolarHBondContact O-N 3.39Å
114	M	65.4	Low	64.1	Low	121 Å²	121	117 Å²	117	60%	0.596	57%	0.569	S	S	*	*	H	α-helix	trans	-70.5	-40.4	176.5	-77	-158.5	-69.1	0	0	112.8	A110 E111 K116 A117 Q118	A110-M114 WeakPolarHBondContact O-CG 3.3Å; A110-M114 PolarHBondContact O-N 2.98Å; E111-M114 PolarHBondContact O-N 3.07Å; M114-K116 VanDerWaalsContact C-N 3.35Å; M114-K116 PolarHBondContact O-N 3.11Å; M114-A117 PolarHBondContact O-N 3.4Å; M114-Q118 WeakPolarHBondContact O-CG 3.25Å; M114-Q118 PolarHBondContact O-N 3.06Å
115	A	74.6	Confident	65.1	Low	49 Å²	49	117 Å²	117	41%	0.405	57%	0.569	S	S	.	*	H	α-helix	trans	-64.2	-39	175.3	0	0	0	0	0	112	E111 E112 Q118 R119	E111-A115 WeakPolarHBondContact O-CB 3.42Å; E111-A115 PolarHBondContact O-N 2.93Å; E112-A115 PolarHBondContact O-N 3.07Å; A115-Q118 PolarHBondContact O-N 2.81Å; A115-R119 PolarHBondContact O-N 3.49Å
116	K	74	Confident	65.7	Low	147 Å²	147	123 Å²	123	64%	0.639	59%	0.585	S	S	*	*	H	α-helix	trans	-67.5	-36.4	174.3	-164.5	172	-174.3	170	0	112.1	E112 M114 M120	E112-K116 WeakPolarHBondContact O-CB 3.5Å; E112-K116 PolarHBondContact O-N 2.69Å; M114-K116 VanDerWaalsContact C-N 3.35Å; M114-K116 PolarHBondContact O-N 3.11Å; K116-M120 HydrophobicContact CG-CE 4.26Å; K116-M120 PolarHBondContact O-N 3.21Å; K116-M120 VanDerWaalsContact O-N 3.08Å
117	A	66.2	Low	66.4	Low	44 Å²	44	119.8 Å²	119.8	36%	0.364	58%	0.581	S	S	.	*	H	α-helix	trans	-67.1	-39.9	173.1	0	0	0	0	0	112.3	I113 M114 M120 I121	I113-A117 WeakPolarHBondContact O-CB 3.26Å; I113-A117 PolarHBondContact O-N 3.39Å; M114-A117 PolarHBondContact O-N 3.4Å; A117-M120 PolarHBondContact O-N 2.99Å; A117-I121 WeakPolarHBondContact O-CD1 3.48Å; A117-I121 VanDerWaalsContact O-CG1 3.25Å; A117-I121 WeakPolarHBondContact O-CG1 3.18Å; A117-I121 PolarHBondContact O-N 3.14Å
118	Q	70.7	Confident	66.5	Low	137 Å²	137	123 Å²	123	64%	0.64	59%	0.591	S	S	*	*	H	α-helix	trans	-64.8	-45.4	175.7	-75	176.4	-12.5	0	0	112.2	M114 A115 M120 I121 E122	M114-Q118 WeakPolarHBondContact O-CG 3.25Å; M114-Q118 PolarHBondContact O-N 3.06Å; A115-Q118 PolarHBondContact O-N 2.81Å; Q118-M120 PolarHBondContact O-N 3.15Å; Q118-I121 PolarHBondContact O-N 3.13Å; Q118-E122 WeakPolarHBondContact O-CB 3.35Å; Q118-E122 PolarHBondContact O-N 2.95Å
119	R	75.1	Confident	65.9	Low	197 Å²	197	126.7 Å²	126.7	74%	0.743	61%	0.606	S	S	*	*	H	α-helix	trans	-57.8	-46.1	172.7	-88.7	-174.3	179.3	159.7	1.3	112	A115 I121 E122 E123	A115-R119 PolarHBondContact O-N 3.49Å; R119-I121 VanDerWaalsContact C-N 3.29Å; R119-I121 PolarHBondContact O-N 3.45Å; R119-E122 PolarHBondContact O-N 2.82Å; R119-E123 VanDerWaalsContact O-CB 3.26Å; R119-E123 WeakPolarHBondContact O-CB 3.45Å; R119-E123 PolarHBondContact O-N 3.21Å
120	M	69.4	Low	64.7	Low	111 Å²	111	126.6 Å²	126.6	55%	0.547	61%	0.61	S	S	.	*	H	α-helix	trans	-61.5	-35.2	177.7	-108.3	-172.1	-83	0	0	112.9	K116 A117 Q118 R124	K116-M120 HydrophobicContact CG-CE 4.26Å; K116-M120 PolarHBondContact O-N 3.21Å; K116-M120 VanDerWaalsContact O-N 3.08Å; A117-M120 PolarHBondContact O-N 2.99Å; Q118-M120 PolarHBondContact O-N 3.15Å; M120-R124 WeakPolarHBondContact O-CB 3.37Å; M120-R124 PolarHBondContact O-N 2.96Å; M120-R124 VanDerWaalsContact O-N 3.09Å
121	I	63.4	Low	64	Low	104 Å²	104	132 Å²	132	53%	0.533	63%	0.627	S	S	.	*	H	α-helix	trans	-73.1	-39.3	176.9	-68.4	164.4	0	0	0	111	A117 Q118 R119 R124 K125	A117-I121 WeakPolarHBondContact O-CD1 3.48Å; A117-I121 VanDerWaalsContact O-CG1 3.25Å; A117-I121 WeakPolarHBondContact O-CG1 3.18Å; A117-I121 PolarHBondContact O-N 3.14Å; Q118-I121 PolarHBondContact O-N 3.13Å; R119-I121 VanDerWaalsContact C-N 3.29Å; R119-I121 PolarHBondContact O-N 3.45Å; I121-R124 PolarHBondContact O-N 2.98Å; I121-K125 WeakPolarHBondContact O-CG 3.16Å; I121-K125 PolarHBondContact O-N 2.95Å
122	E	71.8	Confident	62.5	Low	117 Å²	117	131.8 Å²	131.8	55%	0.547	64%	0.637	S	S	.	*	H	α-helix	trans	-70.7	-38.4	178.3	-162.7	176.9	-169.7	0	0	112.3	Q118 R119 K125 R126	Q118-E122 WeakPolarHBondContact O-CB 3.35Å; Q118-E122 PolarHBondContact O-N 2.95Å; R119-E122 PolarHBondContact O-N 2.82Å; E122-K125 CarbonylContact O-C 3.58Å; E122-K125 WeakPolarHBondContact O-CB 3.45Å; E122-K125 PolarHBondContact O-N 3.19Å; E122-R126 PolarHBondContact O-N 2.89Å
123	E	73.4	Confident	60.7	Low	138 Å²	138	128.7 Å²	128.7	65%	0.645	64%	0.637	S	S	*	*	H	α-helix	trans	-67.3	-38.2	173.9	-151.7	172.3	-150.9	0	0	111	R119 R126 A127	R119-E123 VanDerWaalsContact O-CB 3.26Å; R119-E123 WeakPolarHBondContact O-CB 3.45Å; R119-E123 PolarHBondContact O-N 3.21Å; E123-R126 PolarHBondContact O-N 3.37Å; E123-A127 VanDerWaalsContact O-CB 3.31Å; E123-A127 WeakPolarHBondContact O-CB 3.41Å; E123-A127 PolarHBondContact O-N 3.14Å
124	R	62.3	Low	59.5	Low	189 Å²	189	132.7 Å²	132.7	71%	0.713	65%	0.649	S	S	*	*	H	α-helix	trans	-63.8	-39	168.8	-118.8	176.9	171.8	134.2	-1.9	112.5	M120 I121 R126 L128	M120-R124 WeakPolarHBondContact O-CB 3.37Å; M120-R124 PolarHBondContact O-N 2.96Å; M120-R124 VanDerWaalsContact O-N 3.09Å; I121-R124 PolarHBondContact O-N 2.98Å; R124-R126 VanDerWaalsContact C-N 3.35Å; R124-L128 WeakPolarHBondContact O-CB 3.36Å; R124-L128 WeakPolarHBondContact O-CD1 3.42Å; R124-L128 VanDerWaalsContact O-CG 3.31Å; R124-L128 WeakPolarHBondContact O-CG 3.37Å; R124-L128 PolarHBondContact O-N 3.05Å
125	K	64.5	Low	58.2	Low	146 Å²	146	133.4 Å²	133.4	64%	0.635	65%	0.654	S	S	*	*	H	α-helix	trans	-66.4	-34.3	174.4	-84.2	-178.4	175.2	180	0	112.3	I121 E122	I121-K125 WeakPolarHBondContact O-CG 3.16Å; I121-K125 PolarHBondContact O-N 2.95Å; E122-K125 CarbonylContact O-C 3.58Å; E122-K125 WeakPolarHBondContact O-CB 3.45Å; E122-K125 PolarHBondContact O-N 3.19Å
126	R	66.2	Low	57	Low	185 Å²	185	134.2 Å²	134.2	70%	0.698	66%	0.661	S	S	*	*	H	α-helix	trans	-73.4	-42.6	173.2	-88.8	-178.1	171.4	166.3	-0.8	112.3	E122 E123 R124 L128 K129	E122-R126 PolarHBondContact O-N 2.89Å; E123-R126 PolarHBondContact O-N 3.37Å; R124-R126 VanDerWaalsContact C-N 3.35Å; R126-L128 VanDerWaalsContact C-N 3.26Å; R126-L128 PolarHBondContact O-N 3.19Å; R126-K129 PolarHBondContact O-N 3.41Å
127	A	61	Low	55.9	Low	67 Å²	67	132.1 Å²	132.1	55%	0.554	66%	0.662	S	S	*	*	H	α-helix	trans	-64.4	-29.9	177.1	0	0	0	0	0	112.7	E123 K129	E123-A127 VanDerWaalsContact O-CB 3.31Å; E123-A127 WeakPolarHBondContact O-CB 3.41Å; E123-A127 PolarHBondContact O-N 3.14Å; A127-K129 VanDerWaalsContact C-N 3.28Å; A127-K129 PolarHBondContact O-N 3.08Å
128	L	52.8	Low	55.4	Low	148 Å²	148	136 Å²	136	78%	0.775	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-2.8	173.9	-75.6	163.8	0	0	0	114.2	R124 R126	R124-L128 WeakPolarHBondContact O-CB 3.36Å; R124-L128 WeakPolarHBondContact O-CD1 3.42Å; R124-L128 VanDerWaalsContact O-CG 3.31Å; R124-L128 WeakPolarHBondContact O-CG 3.37Å; R124-L128 PolarHBondContact O-N 3.05Å; R126-L128 VanDerWaalsContact C-N 3.26Å; R126-L128 PolarHBondContact O-N 3.19Å
129	K	49	Very low	54.5	Low	185 Å²	185	136.3 Å²	136.3	80%	0.804	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	14.2	178.2	-82.2	-174.2	174.6	-173.9	0	114.4	R126 A127	R126-K129 PolarHBondContact O-N 3.41Å; A127-K129 VanDerWaalsContact C-N 3.28Å; A127-K129 PolarHBondContact O-N 3.08Å
130	L	37.5	Very low	53.2	Low	125 Å²	125	129.6 Å²	129.6	65%	0.654	67%	0.665	S	S	*	*	S	Bend	trans	-112.5	105.9	179.5	-80.6	143.2	0	0	0	111.6
131	H	39.6	Very low	52.5	Low	164 Å²	164	131 Å²	131	76%	0.759	67%	0.668	S	S	*	*			trans	54.6	102.2	160.1	-60.7	-73.3	0	0	0	120.9
132	P	36.5	Very low	52.1	Low	130 Å²	130	133.3 Å²	133.3	84%	0.844	68%	0.676	S	S	*	*			trans	-93.2	84.6	149	34.3	-25	0	0	0	109.3
133	A	36	Very low	51	Low	80 Å²	80	134.8 Å²	134.8	66%	0.661	68%	0.681	S	S	*	*			trans	-94.5	124.8	164.9	0	0	0	0	0	108.6
134	K	40.5	Very low	50.1	Low	202 Å²	202	134.1 Å²	134.1	88%	0.878	68%	0.68	S	S	*	*	S	Bend	trans	84	59.1	174.3	-50.9	179.5	-179.3	-178.8	0	117.7
135	I	38.8	Very low	50.3	Low	137 Å²	137	129.8 Å²	129.8	70%	0.703	67%	0.671	S	S	*	*			trans	-142.6	133.9	157.6	-52.3	178.4	0	0	0	108.9
136	A	49.1	Very low	50.3	Low	66 Å²	66	127 Å²	127	55%	0.545	66%	0.66	S	S	.	*			trans	-55.1	146.4	-171	0	0	0	0	0	114.3	D138	A136-D138 VanDerWaalsContact C-N 3.25Å; A136-D138 PolarHBondContact O-N 3.46Å
137	P	51.1	Low	50.2	Low	102 Å²	102	120.6 Å²	120.6	66%	0.662	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-7.1	-162.2	25	-34.1	0	0	0	116.8
138	D	55.5	Low	50.5	Low	126 Å²	126	122.2 Å²	122.2	67%	0.674	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-24.4	-176.1	-72	-28.3	0	0	0	114.3	A136	A136-D138 VanDerWaalsContact C-N 3.25Å; A136-D138 PolarHBondContact O-N 3.46Å
139	Q	51.6	Low	51.5	Low	144 Å²	144	119.7 Å²	119.7	67%	0.673	63%	0.626	S	S	*	*	H	α-helix	trans	-87.5	-20.9	-179.4	-67.5	179.9	-0.5	0	0	113.3
140	A	47.7	Very low	52.5	Low	55 Å²	55	117.6 Å²	117.6	46%	0.455	61%	0.613	S	S	.	*	H	α-helix	trans	-74.7	-26.6	178.1	0	0	0	0	0	113.1	M144	A140-M144 WeakPolarHBondContact O-CB 3.45Å; A140-M144 WeakPolarHBondContact O-CG 3.43Å; A140-M144 PolarHBondContact O-N 3.06Å; A140-M144 VanDerWaalsContact O-N 3.16Å
141	K	54.3	Low	53.9	Low	140 Å²	140	117.6 Å²	117.6	61%	0.609	61%	0.613	S	S	*	*	H	α-helix	trans	-73.1	-37.9	179.1	-76.3	178.4	178.7	171.7	0	112.6	N145	K141-N145 VanDerWaalsContact O-CB 3.29Å; K141-N145 WeakPolarHBondContact O-CB 3.1Å; K141-N145 VanDerWaalsContact O-CG 3.31Å; K141-N145 PolarHBondContact O-N 3.25Å; K141-N145 PolarHBondContact O-ND2 3.49Å
142	E	55.3	Low	55.5	Low	153 Å²	153	113.4 Å²	113.4	72%	0.715	60%	0.6	S	S	*	*	H	α-helix	trans	-70.9	-40.9	177.2	-73.1	-171.3	152.1	0	0	112.1	N145 E146	E142-N145 PolarHBondContact O-N 2.99Å; E142-E146 WeakPolarHBondContact O-CB 3.29Å; E142-E146 PolarHBondContact O-N 2.97Å
143	F	48.7	Very low	57.3	Low	148 Å²	148	113.8 Å²	113.8	65%	0.649	58%	0.584	S	S	*	*	H	α-helix	trans	-69.8	-37.2	179.6	-164	-98.5	0	0	0	113	S147	F143-S147 WeakPolarHBondContact O-CB 3.16Å; F143-S147 PolarHBondContact O-N 3.37Å; F143-S147 VanDerWaalsContact O-N 3.11Å; F143-S147 PolarHBondContact O-OG 2.89Å
144	M	53.5	Low	59	Low	125 Å²	125	112.3 Å²	112.3	62%	0.616	57%	0.572	S	S	*	*	H	α-helix	trans	-69.9	-38.1	172.8	-78.5	-127.6	-75.5	0	0	112.5	A140 S147 L148	A140-M144 WeakPolarHBondContact O-CB 3.45Å; A140-M144 WeakPolarHBondContact O-CG 3.43Å; A140-M144 PolarHBondContact O-N 3.06Å; A140-M144 VanDerWaalsContact O-N 3.16Å; M144-S147 WeakPolarHBondContact CA-OG 3.1Å; M144-S147 PolarHBondContact O-OG 3.12Å; M144-L148 VanDerWaalsContact O-CB 3.32Å; M144-L148 WeakPolarHBondContact O-CB 3.4Å; M144-L148 VanDerWaalsContact O-CG 3.32Å; M144-L148 WeakPolarHBondContact O-CG 3.32Å; M144-L148 PolarHBondContact O-N 3.48Å
145	N	66.7	Low	60.6	Low	97 Å²	97	104.9 Å²	104.9	52%	0.519	55%	0.548	S	S	.	.	H	α-helix	trans	-67.9	-36.2	175.3	-81.2	-18.1	0	0	0	112.4	K141 E142 Q149	K141-N145 VanDerWaalsContact O-CB 3.29Å; K141-N145 WeakPolarHBondContact O-CB 3.1Å; K141-N145 VanDerWaalsContact O-CG 3.31Å; K141-N145 PolarHBondContact O-N 3.25Å; K141-N145 PolarHBondContact O-ND2 3.49Å; E142-N145 PolarHBondContact O-N 2.99Å; N145-Q149 VanDerWaalsContact O-CB 3.29Å; N145-Q149 WeakPolarHBondContact O-CB 3.24Å; N145-Q149 VanDerWaalsContact O-CG 3.23Å; N145-Q149 WeakPolarHBondContact O-CG 3.43Å; N145-Q149 PolarHBondContact O-N 3.01Å
146	E	66	Low	62.3	Low	89 Å²	89	104 Å²	104	42%	0.416	54%	0.541	S	S	.	.	H	α-helix	trans	-74.4	-35.6	179.6	-150.7	-169.5	172.9	0	0	112.4	E142 R150	E142-E146 WeakPolarHBondContact O-CB 3.29Å; E142-E146 PolarHBondContact O-N 2.97Å; E146-R150 WeakPolarHBondContact O-CB 3.26Å; E146-R150 VanDerWaalsContact O-CG 3.29Å; E146-R150 WeakPolarHBondContact O-CG 3.48Å; E146-R150 PolarHBondContact O-N 3.44Å; E146-R150 IonicContact OE1-CZ 2.84Å; E146-R150 IonicContact OE1-NE 3.71Å; E146-R150 IonicContact OE1-NH2 3.56Å; E146-R150 PolarHBondContact OE1-NH2 2.97Å; E146-R150 IonicContact OE2-NH2 3.1Å; E146-R150 PolarHBondContact OE2-NH2 3.33Å
147	S	62.5	Low	63.2	Low	50 Å²	50	105.7 Å²	105.7	35%	0.35	54%	0.541	S	S	.	.	H	α-helix	trans	-72.2	-37.3	175.1	47.4	0	0	0	0	112.5	F143 M144 R150 L151	F143-S147 WeakPolarHBondContact O-CB 3.16Å; F143-S147 PolarHBondContact O-N 3.37Å; F143-S147 VanDerWaalsContact O-N 3.11Å; F143-S147 PolarHBondContact O-OG 2.89Å; M144-S147 WeakPolarHBondContact CA-OG 3.1Å; M144-S147 PolarHBondContact O-OG 3.12Å; S147-R150 PolarHBondContact O-N 3.27Å; S147-L151 PolarHBondContact O-N 2.76Å; S147-L151 VanDerWaalsContact O-N 3.08Å
148	L	68.9	Low	64	Low	101 Å²	101	108 Å²	108	53%	0.529	54%	0.542	S	S	.	.	H	α-helix	trans	-65.4	-42	169.5	-76.2	167.8	0	0	0	111.9	M144 R150 L151 T152	M144-L148 VanDerWaalsContact O-CB 3.32Å; M144-L148 WeakPolarHBondContact O-CB 3.4Å; M144-L148 VanDerWaalsContact O-CG 3.32Å; M144-L148 WeakPolarHBondContact O-CG 3.32Å; M144-L148 PolarHBondContact O-N 3.48Å; L148-R150 PolarHBondContact O-N 2.92Å; L148-L151 PolarHBondContact O-N 3.02Å; L148-T152 WeakPolarHBondContact O-CG2 3.32Å; L148-T152 PolarHBondContact O-N 3.39Å; L148-T152 PolarHBondContact O-OG1 2.86Å
149	Q	72.1	Confident	64.7	Low	94 Å²	94	108.5 Å²	108.5	44%	0.439	54%	0.541	S	S	.	.	H	α-helix	trans	-66.1	-32.4	175.4	-79.3	-179.1	14.6	0	0	113.7	N145 T152 R153	N145-Q149 VanDerWaalsContact O-CB 3.29Å; N145-Q149 WeakPolarHBondContact O-CB 3.24Å; N145-Q149 VanDerWaalsContact O-CG 3.23Å; N145-Q149 WeakPolarHBondContact O-CG 3.43Å; N145-Q149 PolarHBondContact O-N 3.01Å; Q149-T152 WeakPolarHBondContact CA-OG1 3.4Å; Q149-T152 PolarHBondContact O-OG1 3.36Å; Q149-T152 VanDerWaalsContact O-OG1 3.12Å; Q149-R153 WeakPolarHBondContact O-CB 3.43Å; Q149-R153 WeakPolarHBondContact O-CG 3.27Å; Q149-R153 PolarHBondContact O-N 2.92Å
150	R	71.2	Confident	65.4	Low	141 Å²	141	104.3 Å²	104.3	53%	0.532	53%	0.525	S	S	.	.	H	α-helix	trans	-72.1	-35.9	174	-75.3	176.3	-169.4	167.7	6.2	111.5	E146 S147 L148 A154	E146-R150 WeakPolarHBondContact O-CB 3.26Å; E146-R150 VanDerWaalsContact O-CG 3.29Å; E146-R150 WeakPolarHBondContact O-CG 3.48Å; E146-R150 PolarHBondContact O-N 3.44Å; E146-R150 IonicContact OE1-CZ 2.84Å; E146-R150 IonicContact OE1-NE 3.71Å; E146-R150 IonicContact OE1-NH2 3.56Å; E146-R150 PolarHBondContact OE1-NH2 2.97Å; E146-R150 IonicContact OE2-NH2 3.1Å; E146-R150 PolarHBondContact OE2-NH2 3.33Å; S147-R150 PolarHBondContact O-N 3.27Å; L148-R150 PolarHBondContact O-N 2.92Å; R150-A154 WeakPolarHBondContact O-CB 3.48Å; R150-A154 PolarHBondContact O-N 2.84Å
151	L	67.5	Low	65.9	Low	125 Å²	125	106.2 Å²	106.2	65%	0.654	53%	0.527	S	S	*	.	H	α-helix	trans	-67	-43.5	172.9	-101.6	156.3	0	0	0	112.1	S147 L148 A154 A155	S147-L151 PolarHBondContact O-N 2.76Å; S147-L151 VanDerWaalsContact O-N 3.08Å; L148-L151 PolarHBondContact O-N 3.02Å; L151-A154 PolarHBondContact O-N 2.74Å; L151-A155 WeakPolarHBondContact O-CB 3.25Å; L151-A155 PolarHBondContact O-N 3.47Å
152	T	72	Confident	66.2	Low	77 Å²	77	101.7 Å²	101.7	47%	0.472	52%	0.52	S	S	.	.	H	α-helix	trans	-68.8	-42	176.6	56.2	0	0	0	0	112.1	L148 Q149 A154 A155 E156	L148-T152 WeakPolarHBondContact O-CG2 3.32Å; L148-T152 PolarHBondContact O-N 3.39Å; L148-T152 PolarHBondContact O-OG1 2.86Å; Q149-T152 WeakPolarHBondContact CA-OG1 3.4Å; Q149-T152 PolarHBondContact O-OG1 3.36Å; Q149-T152 VanDerWaalsContact O-OG1 3.12Å; T152-A154 PolarHBondContact O-N 2.65Å; T152-A155 PolarHBondContact O-N 2.71Å; T152-E156 WeakPolarHBondContact O-CB 3.45Å; T152-E156 WeakPolarHBondContact O-CG 3.32Å; T152-E156 PolarHBondContact O-N 2.92Å
153	R	74.4	Confident	66.7	Low	137 Å²	137	98.9 Å²	98.9	52%	0.517	51%	0.513	S	S	.	.	H	α-helix	trans	-66.2	-34.3	174.4	-75.2	-170.3	-157.4	121	9.2	113.3	Q149 L157	Q149-R153 WeakPolarHBondContact O-CB 3.43Å; Q149-R153 WeakPolarHBondContact O-CG 3.27Å; Q149-R153 PolarHBondContact O-N 2.92Å; R153-L157 VanDerWaalsContact O-CB 3.26Å; R153-L157 WeakPolarHBondContact O-CB 3.21Å; R153-L157 PolarHBondContact O-N 3.41Å
154	A	71.3	Confident	67	Low	49 Å²	49	98 Å²	98	41%	0.405	51%	0.511	S	S	.	.	H	α-helix	trans	-69.5	-37	174.6	0	0	0	0	0	111.4	R150 L151 T152 Q158	R150-A154 WeakPolarHBondContact O-CB 3.48Å; R150-A154 PolarHBondContact O-N 2.84Å; L151-A154 PolarHBondContact O-N 2.74Å; T152-A154 PolarHBondContact O-N 2.65Å; A154-Q158 WeakPolarHBondContact O-CB 3.44Å; A154-Q158 WeakPolarHBondContact O-CG 3.47Å; A154-Q158 PolarHBondContact O-N 2.89Å
155	A	74.3	Confident	66.7	Low	46 Å²	46	96.4 Å²	96.4	38%	0.38	51%	0.505	S	S	.	.	H	α-helix	trans	-69.6	-41.3	173.1	0	0	0	0	0	112.3	L151 T152 Q158 Q159	L151-A155 WeakPolarHBondContact O-CB 3.25Å; L151-A155 PolarHBondContact O-N 3.47Å; T152-A155 PolarHBondContact O-N 2.71Å; A155-Q158 PolarHBondContact O-N 3.45Å; A155-Q159 WeakPolarHBondContact O-CB 3.38Å; A155-Q159 WeakPolarHBondContact O-CG 3.29Å; A155-Q159 PolarHBondContact O-N 3.46Å
156	E	74.4	Confident	65.8	Low	118 Å²	118	95.7 Å²	95.7	55%	0.551	51%	0.506	S	S	*	.	H	α-helix	trans	-65.4	-37.8	172.7	-79.3	177.1	164.5	0	0	111.8	T152 Q159 T160	T152-E156 WeakPolarHBondContact O-CB 3.45Å; T152-E156 WeakPolarHBondContact O-CG 3.32Å; T152-E156 PolarHBondContact O-N 2.92Å; E156-Q159 PolarHBondContact O-N 2.84Å; E156-T160 WeakPolarHBondContact O-CB 3.41Å; E156-T160 WeakPolarHBondContact O-CG2 3.32Å; E156-T160 PolarHBondContact O-N 3.41Å; E156-T160 PolarHBondContact O-OG1 2.89Å
157	L	69.2	Low	64.9	Low	103 Å²	103	94.5 Å²	94.5	54%	0.539	51%	0.511	S	S	.	.	H	α-helix	trans	-66.4	-39.1	172.6	-92.9	163.5	0	0	0	111.8	R153 T160 I161	R153-L157 VanDerWaalsContact O-CB 3.26Å; R153-L157 WeakPolarHBondContact O-CB 3.21Å; R153-L157 PolarHBondContact O-N 3.41Å; L157-T160 VanDerWaalsContact CA-OG1 3.27Å; L157-T160 WeakPolarHBondContact CA-OG1 3.44Å; L157-T160 PolarHBondContact O-OG1 3.23Å; L157-I161 WeakPolarHBondContact O-CB 3.23Å; L157-I161 WeakPolarHBondContact O-CD1 3.49Å; L157-I161 WeakPolarHBondContact O-CG1 3.29Å; L157-I161 PolarHBondContact O-N 3.25Å
158	Q	66.7	Low	64	Low	149 Å²	149	99.2 Å²	99.2	70%	0.696	53%	0.531	S	S	*	.	H	α-helix	trans	-69.3	-37.1	173.9	-79.1	178.7	-22.9	0	0	112.3	A154 A155 G162	A154-Q158 WeakPolarHBondContact O-CB 3.44Å; A154-Q158 WeakPolarHBondContact O-CG 3.47Å; A154-Q158 PolarHBondContact O-N 2.89Å; A155-Q158 PolarHBondContact O-N 3.45Å; Q158-G162 PolarHBondContact O-N 2.94Å
159	Q	70.9	Confident	62.5	Low	137 Å²	137	98.4 Å²	98.4	64%	0.64	53%	0.527	S	S	*	.	H	α-helix	trans	-70.8	-38.5	173.9	-76.8	-172.6	-11.1	0	0	112.4	A155 E156 G162 T163	A155-Q159 WeakPolarHBondContact O-CB 3.38Å; A155-Q159 WeakPolarHBondContact O-CG 3.29Å; A155-Q159 PolarHBondContact O-N 3.46Å; E156-Q159 PolarHBondContact O-N 2.84Å; Q159-G162 CarbonylContact O-C 3.57Å; Q159-G162 PolarHBondContact O-N 3.27Å; Q159-T163 WeakPolarHBondContact O-CB 3.35Å; Q159-T163 VanDerWaalsContact O-CG2 3.26Å; Q159-T163 WeakPolarHBondContact O-CG2 3.24Å; Q159-T163 PolarHBondContact O-N 2.83Å; Q159-T163 PolarHBondContact O-OG1 3.28Å
160	T	65.7	Low	60.8	Low	56 Å²	56	97.8 Å²	97.8	34%	0.344	53%	0.533	S	S	.	.	H	α-helix	trans	-72.3	-38.4	175.2	46.1	0	0	0	0	112.5	E156 L157 G162 T163 Q164	E156-T160 WeakPolarHBondContact O-CB 3.41Å; E156-T160 WeakPolarHBondContact O-CG2 3.32Å; E156-T160 PolarHBondContact O-N 3.41Å; E156-T160 PolarHBondContact O-OG1 2.89Å; L157-T160 VanDerWaalsContact CA-OG1 3.27Å; L157-T160 WeakPolarHBondContact CA-OG1 3.44Å; L157-T160 PolarHBondContact O-OG1 3.23Å; T160-G162 VanDerWaalsContact C-N 3.31Å; T160-T163 WeakPolarHBondContact CA-OG1 3.47Å; T160-T163 PolarHBondContact O-N 2.96Å; T160-T163 PolarHBondContact O-OG1 2.89Å; T160-Q164 WeakPolarHBondContact O-CB 3.47Å; T160-Q164 WeakPolarHBondContact O-CG 3.33Å; T160-Q164 PolarHBondContact O-N 3.08Å
161	I	58.5	Low	59.1	Low	95 Å²	95	101.9 Å²	101.9	49%	0.487	55%	0.55	S	S	.	*	H	α-helix	trans	-63.6	-40.4	169.5	-68.5	165.2	0	0	0	109.8	L157 L165	L157-I161 WeakPolarHBondContact O-CB 3.23Å; L157-I161 WeakPolarHBondContact O-CD1 3.49Å; L157-I161 WeakPolarHBondContact O-CG1 3.29Å; L157-I161 PolarHBondContact O-N 3.25Å; I161-L165 HydrophobicContact CG2-CD1 3.48Å; I161-L165 VanDerWaalsContact CG2-CD1 3.48Å; I161-L165 HydrophobicContact CG2-CG 4.15Å; I161-L165 WeakPolarHBondContact O-CB 3.42Å; I161-L165 VanDerWaalsContact O-CD1 3.32Å; I161-L165 WeakPolarHBondContact O-CD1 3.4Å; I161-L165 WeakPolarHBondContact O-CG 3.4Å; I161-L165 PolarHBondContact O-N 2.88Å
162	G	61.2	Low	57.5	Low	45 Å²	45	98.3 Å²	98.3	46%	0.464	54%	0.539	S	S	.	.	H	α-helix	trans	-71	-25.1	176.6	0	0	0	0	0	115.5	Q158 Q159 T160 P166	Q158-G162 PolarHBondContact O-N 2.94Å; Q159-G162 CarbonylContact O-C 3.57Å; Q159-G162 PolarHBondContact O-N 3.27Å; T160-G162 VanDerWaalsContact C-N 3.31Å; G162-P166 WeakPolarHBondContact O-CD 3.24Å; G162-P166 VanDerWaalsContact O-CG 3.22Å; G162-P166 WeakPolarHBondContact O-CG 3.35Å
163	T	64.2	Low	55.5	Low	95 Å²	95	101.5 Å²	101.5	58%	0.583	55%	0.546	S	S	*	.	H	α-helix	trans	-99.6	-24.2	179.7	49.6	0	0	0	0	113.7	Q159 T160 P166	Q159-T163 WeakPolarHBondContact O-CB 3.35Å; Q159-T163 VanDerWaalsContact O-CG2 3.26Å; Q159-T163 WeakPolarHBondContact O-CG2 3.24Å; Q159-T163 PolarHBondContact O-N 2.83Å; Q159-T163 PolarHBondContact O-OG1 3.28Å; T160-T163 WeakPolarHBondContact CA-OG1 3.47Å; T160-T163 PolarHBondContact O-N 2.96Å; T160-T163 PolarHBondContact O-OG1 2.89Å; T163-P166 WeakPolarHBondContact O-CD 3.49Å
164	Q	55.8	Low	53.4	Low	130 Å²	130	103.4 Å²	103.4	61%	0.607	56%	0.561	S	S	*	*	H	α-helix	trans	-94.2	-21.6	174.8	-62.5	-169.6	7.4	0	0	113.4	T160 A167 L168	T160-Q164 WeakPolarHBondContact O-CB 3.47Å; T160-Q164 WeakPolarHBondContact O-CG 3.33Å; T160-Q164 PolarHBondContact O-N 3.08Å; Q164-A167 PolarHBondContact O-N 3.08Å; Q164-L168 WeakPolarHBondContact O-CB 3.46Å; Q164-L168 PolarHBondContact O-N 3.28Å
165	L	46.6	Very low	52	Low	90 Å²	90	109.1 Å²	109.1	47%	0.471	58%	0.577	S	S	.	*	H	α-helix	trans	-61.2	-40.7	169.5	-82.5	169.3	0	0	0	112.7	I161 A167 L168 L169	I161-L165 HydrophobicContact CG2-CD1 3.48Å; I161-L165 VanDerWaalsContact CG2-CD1 3.48Å; I161-L165 HydrophobicContact CG2-CG 4.15Å; I161-L165 WeakPolarHBondContact O-CB 3.42Å; I161-L165 VanDerWaalsContact O-CD1 3.32Å; I161-L165 WeakPolarHBondContact O-CD1 3.4Å; I161-L165 WeakPolarHBondContact O-CG 3.4Å; I161-L165 PolarHBondContact O-N 2.88Å; L165-A167 VanDerWaalsContact C-N 3.3Å; L165-A167 PolarHBondContact O-N 3.42Å; L165-L168 PolarHBondContact O-N 3.25Å; L165-L169 HydrophobicContact CB-CD1 4.35Å; L165-L169 HydrophobicContact CD2-CD1 3.89Å; L165-L169 VanDerWaalsContact O-CB 3.28Å; L165-L169 WeakPolarHBondContact O-CB 3.31Å; L165-L169 WeakPolarHBondContact O-CD1 3.48Å; L165-L169 PolarHBondContact O-N 3.42Å
166	P	47.6	Very low	50.4	Low	83 Å²	83	115.4 Å²	115.4	54%	0.539	60%	0.598	S	S	.	*	H	α-helix	trans	-65.4	-28.4	172.6	-15.8	25.8	0	0	0	113.9	G162 T163 S170	G162-P166 WeakPolarHBondContact O-CD 3.24Å; G162-P166 VanDerWaalsContact O-CG 3.22Å; G162-P166 WeakPolarHBondContact O-CG 3.35Å; T163-P166 WeakPolarHBondContact O-CD 3.49Å; P166-S170 WeakPolarHBondContact O-CB 3.33Å; P166-S170 PolarHBondContact O-N 3.49Å
167	A	48.5	Very low	48.8	Very low	64 Å²	64	116.1 Å²	116.1	53%	0.529	61%	0.613	S	S	.	*	H	α-helix	trans	-89	-15.1	-178.8	0	0	0	0	0	114.3	Q164 L165 S170	Q164-A167 PolarHBondContact O-N 3.08Å; L165-A167 VanDerWaalsContact C-N 3.3Å; L165-A167 PolarHBondContact O-N 3.42Å; A167-S170 PolarHBondContact O-OG 3.38Å
168	L	42.1	Very low	47.3	Very low	149 Å²	149	114 Å²	114	78%	0.78	62%	0.617	S	S	*	*	H	α-helix	trans	-103.3	-16.4	173.1	-144.5	110.2	0	0	0	112.4	Q164 L165	Q164-L168 WeakPolarHBondContact O-CB 3.46Å; Q164-L168 PolarHBondContact O-N 3.28Å; L165-L168 PolarHBondContact O-N 3.25Å
169	L	37.7	Very low	46.4	Very low	83 Å²	83	115.7 Å²	115.7	44%	0.435	62%	0.624	S	S	.	*	S	Bend	trans	-86.1	-10.5	163	-86.9	96	0	0	0	113.2	L165 Y171 A172	L165-L169 HydrophobicContact CB-CD1 4.35Å; L165-L169 HydrophobicContact CD2-CD1 3.89Å; L165-L169 VanDerWaalsContact O-CB 3.28Å; L165-L169 WeakPolarHBondContact O-CB 3.31Å; L165-L169 WeakPolarHBondContact O-CD1 3.48Å; L165-L169 PolarHBondContact O-N 3.42Å; L169-Y171 PolarHBondContact O-N 2.81Å; L169-A172 CarbonylContact O-C 3.58Å; L169-A172 PolarHBondContact O-N 2.87Å; L169-A172 VanDerWaalsContact O-N 3.11Å
170	S	36.4	Very low	45.5	Very low	82 Å²	82	115.2 Å²	115.2	57%	0.573	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-9.4	177.3	60.5	0	0	0	0	114.3	P166 A167	P166-S170 WeakPolarHBondContact O-CB 3.33Å; P166-S170 PolarHBondContact O-N 3.49Å; A167-S170 PolarHBondContact O-OG 3.38Å
171	Y	36.4	Very low	45.4	Very low	226 Å²	226	121.1 Å²	121.1	89%	0.886	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	2.2	170	-94.5	-86	0	0	0	113.9	L169	L169-Y171 PolarHBondContact O-N 2.81Å
172	A	32.9	Very low	45.9	Very low	50 Å²	50	121.9 Å²	121.9	41%	0.413	67%	0.666	S	S	.	*	S	Bend	trans	-158.9	107	173.5	0	0	0	0	0	108.8	L169	L169-A172 CarbonylContact O-C 3.58Å; L169-A172 PolarHBondContact O-N 2.87Å; L169-A172 VanDerWaalsContact O-N 3.11Å
173	F	29.7	Very low	46.4	Very low	144 Å²	144	125.3 Å²	125.3	63%	0.632	67%	0.673	S	S	*	*			trans	105.8	82.5	178.2	-69.2	-86.1	0	0	0	115.7
174	E	30.9	Very low	46.8	Very low	178 Å²	178	125.4 Å²	125.4	83%	0.832	67%	0.668	S	S	*	*			trans	-65.2	147.3	143.7	-81.5	-176.4	145.9	0	0	110.8
175	K	41.2	Very low	47.6	Very low	169 Å²	169	123.7 Å²	123.7	74%	0.735	66%	0.663	S	S	*	*			trans	78.8	102.2	165.4	-70.2	174.6	179	169.3	0	118.3
176	Q	41.2	Very low	49.2	Very low	177 Å²	177	121.9 Å²	121.9	83%	0.827	65%	0.654	S	S	*	*			trans	-47.8	149.5	151.4	-68.1	-85.3	-24.2	0	0	111.5	G178	Q176-G178 PolarHBondContact O-N 3.06Å
177	P	40.5	Very low	50.9	Low	134 Å²	134	126.2 Å²	126.2	87%	0.87	67%	0.673	S	S	*	*			trans	-76.9	76	168.5	33.9	-30.3	0	0	0	109.1
178	G	39.5	Very low	52.4	Low	59 Å²	59	129.6 Å²	129.6	61%	0.608	68%	0.679	S	S	*	*			trans	-83.1	158.5	151.8	0	0	0	0	0	108.7	Q176	Q176-G178 PolarHBondContact O-N 3.06Å
179	E	47.6	Very low	53.9	Low	183 Å²	183	125.1 Å²	125.1	86%	0.855	67%	0.669	S	S	*	*	S	Bend	trans	-38.7	141.7	-178.9	-69	173.7	155.3	0	0	113.7	K181	E179-K181 PolarHBondContact O-N 3.17Å
180	P	50.9	Low	55.7	Low	128 Å²	128	127.6 Å²	127.6	83%	0.831	67%	0.673	S	S	*	*			trans	-61.4	111.8	-174.4	25.3	-33.1	0	0	0	110.8
181	K	63.4	Low	57.6	Low	179 Å²	179	125.1 Å²	125.1	78%	0.778	65%	0.654	S	S	*	*			trans	-64.9	132.3	169.8	-83	-177.4	174.2	-175.1	0	109.4	E179	E179-K181 PolarHBondContact O-N 3.17Å
182	P	69.4	Low	59.6	Low	112 Å²	112	115.5 Å²	115.5	73%	0.727	62%	0.619	S	S	*	*			trans	-62.3	141.2	-178.8	25.8	-33.6	0	0	0	111.1	I184	P182-I184 PolarHBondContact O-N 3.24Å
183	L	72.1	Confident	61.7	Low	117 Å²	117	116.9 Å²	116.9	61%	0.613	62%	0.619	S	S	*	*			trans	-74	114.4	-179.9	-157.2	86.5	0	0	0	109.2	L185 T191 L201	L183-L185 HydrophobicContact CD2-CD1 4.21Å; L183-L185 HydrophobicContact CD2-CD2 4.04Å; L183-L185 HydrophobicContact CD2-CG 4.12Å; L183-T191 HydrophobicContact CD1-CG2 3.83Å; L183-T191 HydrophobicContact CD2-CG2 3.75Å; L183-T191 HydrophobicContact CG-CG2 3.78Å; L183-L201 HydrophobicContact CD1-CD1 4.43Å
184	I	72	Confident	64	Low	96 Å²	96	114.6 Å²	114.6	49%	0.492	62%	0.621	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.9	125.4	175.1	-55.2	173	0	0	0	107.6	P182 V192	P182-I184 PolarHBondContact O-N 3.24Å; I184-V192 PolarHBondContact O-N 3.49Å
185	L	72.7	Confident	66.2	Low	94 Å²	94	112 Å²	112	49%	0.492	61%	0.613	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.5	133.3	-179	-68.5	164.2	0	0	0	108.8	L183 R190 T191	L183-L185 HydrophobicContact CD2-CD1 4.21Å; L183-L185 HydrophobicContact CD2-CD2 4.04Å; L183-L185 HydrophobicContact CD2-CG 4.12Å; L185-R190 WeakPolarHBondContact CA-O 3.36Å; L185-T191 HydrophobicContact CD2-CG2 3.68Å
186	D	81.3	Confident	67.8	Low	52 Å²	52	106.7 Å²	106.7	28%	0.278	61%	0.606	S	S	.	*			trans	-70.7	172.7	170.2	69.1	6.8	0	0	0	111.1	M188 G189 R190 V192	D186-M188 PolarHBondContact O-N 3.18Å; D186-M188 VanDerWaalsContact OD1-CA 3.26Å; D186-M188 WeakPolarHBondContact OD1-CA 3.46Å; D186-M188 WeakPolarHBondContact OD1-CB 3.32Å; D186-M188 PolarHBondContact OD1-N 3.08Å; D186-G189 PolarHBondContact O-N 2.88Å; D186-G189 PolarHBondContact OD1-N 3.23Å; D186-R190 PolarHBondContact N-O 3.43Å; D186-R190 VanDerWaalsContact N-O 3.08Å; D186-R190 PolarHBondContact OD1-N 2.94Å; D186-V192 HydrophobicContact CB-CG2 3.73Å; D186-V192 VanDerWaalsContact N-CG2 3.25Å
187	N	82.3	Confident	69.4	Low	175 Å²	175	104.9 Å²	104.9	94%	0.936	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-6.3	177.1	-46.5	-1.2	0	0	0	112.9
188	M	79.1	Confident	70.9	Confident	134 Å²	134	102.2 Å²	102.2	66%	0.66	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	6.3	178.7	-58.9	-163.1	71.8	0	0	113.2	D186 R190	D186-M188 PolarHBondContact O-N 3.18Å; D186-M188 VanDerWaalsContact OD1-CA 3.26Å; D186-M188 WeakPolarHBondContact OD1-CA 3.46Å; D186-M188 WeakPolarHBondContact OD1-CB 3.32Å; D186-M188 PolarHBondContact OD1-N 3.08Å; M188-R190 HydrophobicContact CB-CG 4.4Å; M188-R190 VanDerWaalsContact CE-NH2 3.31Å; M188-R190 PolarHBondContact SD-NH2 3.41Å
189	G	75.6	Confident	72.1	Confident	56 Å²	56	102.5 Å²	102.5	58%	0.577	58%	0.576	S	S	*	*	S	Bend	trans	74.4	20.3	178	0	0	0	0	0	114.9	D186	D186-G189 PolarHBondContact O-N 2.88Å; D186-G189 PolarHBondContact OD1-N 3.23Å
190	R	75.4	Confident	73.1	Confident	135 Å²	135	99.3 Å²	99.3	51%	0.509	57%	0.573	S	S	.	*			trans	-95.5	139.6	176.8	-52.6	177.4	-164.3	-176.7	6.9	109.5	L185 D186 M188 V192	L185-R190 WeakPolarHBondContact CA-O 3.36Å; D186-R190 PolarHBondContact N-O 3.43Å; D186-R190 VanDerWaalsContact N-O 3.08Å; D186-R190 PolarHBondContact OD1-N 2.94Å; M188-R190 HydrophobicContact CB-CG 4.4Å; M188-R190 VanDerWaalsContact CE-NH2 3.31Å; M188-R190 PolarHBondContact SD-NH2 3.41Å; R190-V192 WeakPolarHBondContact O-CG2 3.2Å; R190-V192 PolarHBondContact O-N 2.8Å
191	T	75.9	Confident	73.8	Confident	29 Å²	29	98.9 Å²	98.9	18%	0.178	56%	0.563	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-71.7	125.8	177	40.9	0	0	0	0	110.6	L183 L185 A198 V199 L201	L183-T191 HydrophobicContact CD1-CG2 3.83Å; L183-T191 HydrophobicContact CD2-CG2 3.75Å; L183-T191 HydrophobicContact CG-CG2 3.78Å; L185-T191 HydrophobicContact CD2-CG2 3.68Å; T191-A198 WeakPolarHBondContact O-CA 3.33Å; T191-V199 PolarHBondContact O-N 2.94Å; T191-V199 PolarHBondContact OG1-O 3.1Å; T191-L201 HydrophobicContact CG2-CD1 3.71Å
192	V	77.1	Confident	73.8	Confident	24 Å²	24	96.5 Å²	96.5	15%	0.145	56%	0.563	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.4	139.9	-172.4	-134	0	0	0	0	110.1	I184 D186 R190 G196 H197	I184-V192 PolarHBondContact O-N 3.49Å; D186-V192 HydrophobicContact CB-CG2 3.73Å; D186-V192 VanDerWaalsContact N-CG2 3.25Å; R190-V192 WeakPolarHBondContact O-CG2 3.2Å; R190-V192 PolarHBondContact O-N 2.8Å; V192-G196 VanDerWaalsContact CG1-O 3.31Å; V192-G196 WeakPolarHBondContact CG1-O 3.47Å; V192-H197 WeakPolarHBondContact CA-O 3.37Å; V192-H197 VanDerWaalsContact CG1-C 3.45Å; V192-H197 VanDerWaalsContact CG1-O 3.3Å; V192-H197 WeakPolarHBondContact CG1-O 3.5Å
193	D	77.2	Confident	73.4	Confident	80 Å²	80	99.9 Å²	99.9	43%	0.428	57%	0.57	S	S	.	*			trans	-74.8	173.7	174.6	-132.6	-16.4	0	0	0	111.6	D195 G196 H197 V199	D193-D195 PolarHBondContact O-N 3.31Å; D193-G196 PolarHBondContact O-N 3.29Å; D193-H197 PolarHBondContact N-O 3.02Å; D193-V199 HydrophobicContact CB-CG2 3.66Å
194	S	79.2	Confident	72.7	Confident	95 Å²	95	103.1 Å²	103.1	66%	0.664	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	-19.1	176.8	38	0	0	0	0	114.8
195	D	77.6	Confident	72.4	Confident	125 Å²	125	104.2 Å²	104.2	67%	0.668	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	10.9	179.1	-58.4	-52.7	0	0	0	113.5	D193 H197	D193-D195 PolarHBondContact O-N 3.31Å; D195-H197 VanDerWaalsContact C-N 3.3Å; D195-H197 PolarHBondContact O-N 3.46Å
196	G	72.9	Confident	72.1	Confident	56 Å²	56	106.2 Å²	106.2	58%	0.577	60%	0.604	S	S	*	*	S	Bend	trans	75	15.3	176.2	0	0	0	0	0	114.7	V192 D193	V192-G196 VanDerWaalsContact CG1-O 3.31Å; V192-G196 WeakPolarHBondContact CG1-O 3.47Å; D193-G196 PolarHBondContact O-N 3.29Å
197	H	76.8	Confident	71.8	Confident	139 Å²	139	107.5 Å²	107.5	64%	0.644	61%	0.613	S	S	*	*			trans	-92.4	134.8	173.4	-65	-21.9	0	0	0	112.4	V192 D193 D195 V199	V192-H197 WeakPolarHBondContact CA-O 3.37Å; V192-H197 VanDerWaalsContact CG1-C 3.45Å; V192-H197 VanDerWaalsContact CG1-O 3.3Å; V192-H197 WeakPolarHBondContact CG1-O 3.5Å; D193-H197 PolarHBondContact N-O 3.02Å; D195-H197 VanDerWaalsContact C-N 3.3Å; D195-H197 PolarHBondContact O-N 3.46Å; H197-V199 PolarHBondContact O-N 3.25Å
198	A	71.5	Confident	71.4	Confident	79 Å²	79	105.6 Å²	105.6	65%	0.653	60%	0.602	S	S	*	*	B	Isolated β-bridge	trans	-67.2	121.2	-179.1	0	0	0	0	0	111.4	T191	T191-A198 WeakPolarHBondContact O-CA 3.33Å
199	V	64.9	Low	71.2	Confident	65 Å²	65	108 Å²	108	39%	0.394	61%	0.609	S	S	.	*			trans	-104.9	122.3	-179.6	-177	0	0	0	0	109.5	T191 D193 H197	T191-V199 PolarHBondContact O-N 2.94Å; T191-V199 PolarHBondContact OG1-O 3.1Å; D193-V199 HydrophobicContact CB-CG2 3.66Å; H197-V199 PolarHBondContact O-N 3.25Å
200	C	67.6	Low	71	Confident	115 Å²	115	108.7 Å²	108.7	78%	0.777	61%	0.609	S	S	*	*			trans	-85.2	113.7	177.2	-173.9	0	0	0	0	111.2	T202	C200-T202 PolarHBondContact O-N 2.97Å
201	L	66.4	Low	71.1	Confident	119 Å²	119	106.8 Å²	106.8	62%	0.623	61%	0.609	S	S	*	*			trans	-72.5	110.3	173.9	-83.9	146.2	0	0	0	110.8	L183 T191 Q203	L183-L201 HydrophobicContact CD1-CD1 4.43Å; T191-L201 HydrophobicContact CG2-CD1 3.71Å; L201-Q203 PolarHBondContact O-N 3.35Å
202	T	62.6	Low	71.1	Confident	129 Å²	129	109 Å²	109	79%	0.791	62%	0.619	S	S	*	*			trans	-73.8	106	179.5	49.1	0	0	0	0	111.6	C200 R204	C200-T202 PolarHBondContact O-N 2.97Å; T202-R204 PolarHBondContact O-N 3.08Å
203	Q	60.5	Low	71	Confident	184 Å²	184	117.9 Å²	117.9	86%	0.86	65%	0.65	S	S	*	*			trans	-76.7	117.5	173.2	-74.2	-174.5	-18.7	0	0	111	L201	L201-Q203 PolarHBondContact O-N 3.35Å
204	R	59.3	Low	71.1	Confident	185 Å²	185	117 Å²	117	70%	0.698	65%	0.654	S	S	*	*			trans	-87.3	114.9	172.3	-77.3	-175.7	167.6	177.6	1.3	110.7	T202	T202-R204 PolarHBondContact O-N 3.08Å
205	T	65.1	Low	71.2	Confident	118 Å²	118	119 Å²	119	72%	0.724	65%	0.653	S	S	*	*			trans	-85.4	139.5	170.8	49.9	0	0	0	0	111	T207	T205-T207 PolarHBondContact O-N 3.15Å
206	P	65.2	Low	71.1	Confident	137 Å²	137	120.4 Å²	120.4	89%	0.89	65%	0.653	S	S	*	*			trans	-75.5	125.7	-178	29.3	-32.1	0	0	0	110.9
207	T	75.9	Confident	71.3	Confident	79 Å²	79	120.4 Å²	120.4	49%	0.485	65%	0.648	S	S	.	*			trans	-118.1	137.3	178.9	149.8	0	0	0	0	110.7	T205	T205-T207 PolarHBondContact O-N 3.15Å
208	L	74.2	Confident	71.5	Confident	134 Å²	134	116.3 Å²	116.3	70%	0.702	64%	0.638	S	S	*	*			trans	-64.7	141.3	179.4	-80.6	164	0	0	0	111	A210 N211	L208-A210 PolarHBondContact O-N 3.04Å; L208-N211 WeakPolarHBondContact O-CB 3.21Å; L208-N211 PolarHBondContact O-N 3.27Å
209	K	74.3	Confident	71.8	Confident	186 Å²	186	116.5 Å²	116.5	81%	0.809	63%	0.631	S	S	*	*	H	α-helix	trans	-50.6	-24.2	177.6	-90.8	178.8	175.6	171	0	114.7	R213	K209-R213 PolarHBondContact O-N 3.43Å
210	A	71.5	Confident	72.2	Confident	69 Å²	69	119.9 Å²	119.9	57%	0.57	65%	0.646	S	S	*	*	H	α-helix	trans	-67.3	-41.3	174.2	0	0	0	0	0	112.7	L208 R213 A214	L208-A210 PolarHBondContact O-N 3.04Å; A210-R213 PolarHBondContact O-N 2.87Å; A210-A214 PolarHBondContact O-N 2.98Å
211	N	77.3	Confident	72.5	Confident	96 Å²	96	118 Å²	118	51%	0.513	63%	0.631	S	S	.	*	H	α-helix	trans	-68.9	-40.5	-179.5	-66.5	-4.6	0	0	0	110.8	L208 R213 A214 E215	L208-N211 WeakPolarHBondContact O-CB 3.21Å; L208-N211 PolarHBondContact O-N 3.27Å; N211-R213 VanDerWaalsContact C-N 3.28Å; N211-R213 PolarHBondContact O-N 3.05Å; N211-A214 PolarHBondContact O-N 3.11Å; N211-E215 WeakPolarHBondContact O-CB 3.39Å; N211-E215 PolarHBondContact O-N 3.37Å
212	I	76.1	Confident	72.8	Confident	76 Å²	76	121.1 Å²	121.1	39%	0.39	63%	0.634	S	S	.	*	H	α-helix	trans	-61.3	-37	175.2	-55.8	173	0	0	0	111.4	K216	I212-K216 WeakPolarHBondContact O-CB 3.32Å; I212-K216 PolarHBondContact O-N 2.74Å; I212-K216 VanDerWaalsContact O-N 3.11Å
213	R	75.7	Confident	73	Confident	209 Å²	209	119 Å²	119	79%	0.789	62%	0.621	S	S	*	*	H	α-helix	trans	-71.1	-39.1	175.3	-101.4	-176.9	179.7	178	0.2	112.5	K209 A210 N211 A217	K209-R213 PolarHBondContact O-N 3.43Å; A210-R213 PolarHBondContact O-N 2.87Å; N211-R213 VanDerWaalsContact C-N 3.28Å; N211-R213 PolarHBondContact O-N 3.05Å; R213-A217 PolarHBondContact O-N 3.14Å; R213-A217 VanDerWaalsContact O-N 3.11Å
214	A	79.4	Confident	73.1	Confident	62 Å²	62	112.9 Å²	112.9	51%	0.512	60%	0.602	S	S	.	*	H	α-helix	trans	-66	-41.2	177	0	0	0	0	0	111.7	A210 N211 A217 A218	A210-A214 PolarHBondContact O-N 2.98Å; N211-A214 PolarHBondContact O-N 3.11Å; A214-A217 PolarHBondContact O-N 3.1Å; A214-A218 WeakPolarHBondContact O-CB 3.43Å; A214-A218 PolarHBondContact O-N 3.23Å
215	E	80.2	Confident	73.2	Confident	136 Å²	136	110.9 Å²	110.9	64%	0.636	60%	0.599	S	S	*	*	H	α-helix	trans	-67	-44.1	178	-160.7	174.4	-154	0	0	111.8	N211 A217 A218 V219	N211-E215 WeakPolarHBondContact O-CB 3.39Å; N211-E215 PolarHBondContact O-N 3.37Å; E215-A217 VanDerWaalsContact C-N 3.3Å; E215-A217 PolarHBondContact O-N 3.37Å; E215-A218 PolarHBondContact O-N 3.28Å; E215-A218 VanDerWaalsContact O-N 3.16Å; E215-V219 WeakPolarHBondContact O-CG2 3.39Å; E215-V219 PolarHBondContact O-N 3.26Å
216	K	76.4	Confident	72.7	Confident	155 Å²	155	111.3 Å²	111.3	67%	0.674	59%	0.592	S	S	*	*	H	α-helix	trans	-58.3	-39.2	172.1	-87.2	-172.5	172.6	-176.1	0	113	I212 L220	I212-K216 WeakPolarHBondContact O-CB 3.32Å; I212-K216 PolarHBondContact O-N 2.74Å; I212-K216 VanDerWaalsContact O-N 3.11Å; K216-L220 WeakPolarHBondContact O-CB 3.13Å; K216-L220 PolarHBondContact O-N 2.9Å
217	A	77.6	Confident	72	Confident	57 Å²	57	109.5 Å²	109.5	47%	0.471	58%	0.579	S	S	.	*	H	α-helix	trans	-69.2	-38.2	176.4	0	0	0	0	0	112.2	R213 A214 E215 T221	R213-A217 PolarHBondContact O-N 3.14Å; R213-A217 VanDerWaalsContact O-N 3.11Å; A214-A217 PolarHBondContact O-N 3.1Å; E215-A217 VanDerWaalsContact C-N 3.3Å; E215-A217 PolarHBondContact O-N 3.37Å; A217-T221 PolarHBondContact O-N 2.85Å; A217-T221 VanDerWaalsContact O-N 3.12Å; A217-T221 PolarHBondContact O-OG1 2.86Å
218	A	80.4	Confident	70.8	Confident	53 Å²	53	110.4 Å²	110.4	44%	0.438	58%	0.584	S	S	.	*	H	α-helix	trans	-67.3	-42.6	177.7	0	0	0	0	0	112.5	A214 E215 T221 R222	A214-A218 WeakPolarHBondContact O-CB 3.43Å; A214-A218 PolarHBondContact O-N 3.23Å; E215-A218 PolarHBondContact O-N 3.28Å; E215-A218 VanDerWaalsContact O-N 3.16Å; A218-T221 PolarHBondContact O-N 3.42Å; A218-T221 VanDerWaalsContact O-N 3.16Å; A218-R222 PolarHBondContact O-N 3.36Å
219	V	77.2	Confident	69.4	Low	83 Å²	83	111.6 Å²	111.6	50%	0.503	59%	0.586	S	S	.	*	H	α-helix	trans	-61.4	-45.1	175.5	172.9	0	0	0	0	110.7	E215 T221 R222 V223	E215-V219 WeakPolarHBondContact O-CG2 3.39Å; E215-V219 PolarHBondContact O-N 3.26Å; V219-T221 PolarHBondContact O-N 3.49Å; V219-R222 PolarHBondContact O-N 3.04Å; V219-R222 VanDerWaalsContact O-N 3.14Å; V219-V223 HydrophobicContact CG1-CG2 4.45Å; V219-V223 WeakPolarHBondContact O-CG2 3.44Å; V219-V223 PolarHBondContact O-N 2.91Å
220	L	72.7	Confident	68.1	Low	135 Å²	135	109.9 Å²	109.9	71%	0.707	58%	0.584	S	S	*	*	H	α-helix	trans	-61.6	-32	177	-151	114.3	0	0	0	112.3	K216 A224	K216-L220 WeakPolarHBondContact O-CB 3.13Å; K216-L220 PolarHBondContact O-N 2.9Å; L220-A224 WeakPolarHBondContact O-CB 3.46Å; L220-A224 PolarHBondContact O-N 3.42Å
221	T	73.8	Confident	66.5	Low	76 Å²	76	111.9 Å²	111.9	47%	0.466	59%	0.59	S	S	.	*	H	α-helix	trans	-77	-31.9	177.1	-48.4	0	0	0	0	112.5	A217 A218 V219 K225	A217-T221 PolarHBondContact O-N 2.85Å; A217-T221 VanDerWaalsContact O-N 3.12Å; A217-T221 PolarHBondContact O-OG1 2.86Å; A218-T221 PolarHBondContact O-N 3.42Å; A218-T221 VanDerWaalsContact O-N 3.16Å; V219-T221 PolarHBondContact O-N 3.49Å; T221-K225 WeakPolarHBondContact O-CG 3.41Å; T221-K225 PolarHBondContact O-N 3.41Å
222	R	73.3	Confident	64.5	Low	184 Å²	184	115.5 Å²	115.5	69%	0.694	60%	0.603	S	S	*	*	H	α-helix	trans	-70.6	-46.2	174.3	-78.9	-174.7	178.5	171	-0.8	111.8	A218 V219 A224 K225 E226	A218-R222 PolarHBondContact O-N 3.36Å; V219-R222 PolarHBondContact O-N 3.04Å; V219-R222 VanDerWaalsContact O-N 3.14Å; R222-A224 PolarHBondContact O-N 2.82Å; R222-K225 PolarHBondContact O-N 3.28Å; R222-E226 PolarHBondContact O-N 3.06Å
223	V	67.5	Low	62.6	Low	84 Å²	84	119 Å²	119	51%	0.509	62%	0.622	S	S	.	*	H	α-helix	trans	-59.6	-37.6	176.5	175.8	0	0	0	0	111	V219 K225 T227	V219-V223 HydrophobicContact CG1-CG2 4.45Å; V219-V223 WeakPolarHBondContact O-CG2 3.44Å; V219-V223 PolarHBondContact O-N 2.91Å; V223-K225 VanDerWaalsContact C-N 3.32Å; V223-K225 PolarHBondContact O-N 3.15Å; V223-T227 PolarHBondContact O-N 2.84Å; V223-T227 PolarHBondContact O-OG1 2.95Å
224	A	61.8	Low	60.9	Low	56 Å²	56	118.1 Å²	118.1	46%	0.463	63%	0.627	S	S	.	*	H	α-helix	trans	-70.4	-22.4	174.9	0	0	0	0	0	114.3	L220 R222 T227 V228	L220-A224 WeakPolarHBondContact O-CB 3.46Å; L220-A224 PolarHBondContact O-N 3.42Å; R222-A224 PolarHBondContact O-N 2.82Å; A224-T227 PolarHBondContact O-OG1 2.88Å; A224-T227 VanDerWaalsContact O-OG1 3.06Å; A224-V228 WeakPolarHBondContact O-CG2 3.25Å
225	K	61.1	Low	58.8	Low	144 Å²	144	118.7 Å²	118.7	63%	0.626	64%	0.639	S	S	*	*	H	α-helix	trans	-87.8	-35	177.1	-78.8	180	176.1	-175	0	112.7	T221 R222 V223 T227 V228	T221-K225 WeakPolarHBondContact O-CG 3.41Å; T221-K225 PolarHBondContact O-N 3.41Å; R222-K225 PolarHBondContact O-N 3.28Å; V223-K225 VanDerWaalsContact C-N 3.32Å; V223-K225 PolarHBondContact O-N 3.15Å; K225-T227 VanDerWaalsContact C-N 3.3Å; K225-T227 PolarHBondContact O-N 2.85Å; K225-V228 PolarHBondContact O-N 2.86Å
226	E	55.3	Low	57.3	Low	126 Å²	126	121.5 Å²	121.5	59%	0.589	65%	0.652	S	S	*	*	H	α-helix	trans	-66.4	-31.7	174.8	-79.6	170.5	170.7	0	0	112	R222 V228 Q229	R222-E226 PolarHBondContact O-N 3.06Å; E226-V228 PolarHBondContact O-N 2.99Å; E226-Q229 PolarHBondContact O-N 3.1Å
227	T	51.1	Low	55.6	Low	99 Å²	99	123.8 Å²	123.8	61%	0.607	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-8.5	173.4	47.4	0	0	0	0	114.9	V223 A224 K225	V223-T227 PolarHBondContact O-N 2.84Å; V223-T227 PolarHBondContact O-OG1 2.95Å; A224-T227 PolarHBondContact O-OG1 2.88Å; A224-T227 VanDerWaalsContact O-OG1 3.06Å; K225-T227 VanDerWaalsContact C-N 3.3Å; K225-T227 PolarHBondContact O-N 2.85Å
228	V	49.2	Very low	54.4	Low	99 Å²	99	124.8 Å²	124.8	60%	0.6	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	-12.6	-178.2	178.6	0	0	0	0	112.3	A224 K225 E226	A224-V228 WeakPolarHBondContact O-CG2 3.25Å; K225-V228 PolarHBondContact O-N 2.86Å; E226-V228 PolarHBondContact O-N 2.99Å
229	Q	46.4	Very low	53.1	Low	159 Å²	159	126 Å²	126	74%	0.743	69%	0.686	S	S	*	*	S	Bend	trans	-95	-3.7	-177.7	-71.2	-175.4	-24.4	0	0	114.7	E226	E226-Q229 PolarHBondContact O-N 3.1Å
230	I	45.3	Very low	52.6	Low	149 Å²	149	126.8 Å²	126.8	76%	0.764	70%	0.702	S	S	*	*	S	Bend	trans	-91.3	0.4	-177	-59.9	173.4	0	0	0	112.5
231	T	39.4	Very low	52.3	Low	112 Å²	112	130 Å²	130	69%	0.687	71%	0.71	S	S	*	*			trans	-124.2	63	179.9	62.4	0	0	0	0	111.4
232	H	35	Very low	51.5	Low	172 Å²	172	134.7 Å²	134.7	80%	0.796	72%	0.721	S	S	*	*			trans	-139.8	74.5	169.9	-104.1	-46.8	0	0	0	108.6
233	D	35.2	Very low	51.2	Low	148 Å²	148	129.9 Å²	129.9	79%	0.791	71%	0.709	S	S	*	*			trans	-167.9	147.3	157.3	-105.1	-25.8	0	0	0	108.3
234	H	41.4	Very low	51.3	Low	191 Å²	191	134.4 Å²	134.4	88%	0.884	72%	0.724	S	S	*	*			trans	93.9	100.4	-173.6	-49.5	-55.5	0	0	0	114.9
235	G	34.7	Very low	51.9	Low	75 Å²	75	142.4 Å²	142.4	77%	0.773	74%	0.743	S	S	*	*			trans	-87.7	166.5	-177.3	0	0	0	0	0	114.9
236	E	47.8	Very low	52.1	Low	194 Å²	194	140.3 Å²	140.3	91%	0.907	74%	0.738	S	S	*	*			trans	-137.4	66.9	168.8	-69	-174.2	170.7	0	0	108.1
237	E	41.5	Very low	52.6	Low	203 Å²	203	144.4 Å²	144.4	95%	0.949	75%	0.753	S	S	*	*			trans	-80.9	107	156.3	-67.3	-177.3	167.7	0	0	106.5
238	G	52.1	Low	53.3	Low	78 Å²	78	146.2 Å²	146.2	80%	0.804	76%	0.759	S	S	*	*			trans	148.8	10	170.1	0	0	0	0	0	120.4
239	S	53.5	Low	54	Low	79 Å²	79	150.6 Å²	150.6	55%	0.552	77%	0.77	S	S	*	*			trans	-83.7	122.6	179.6	85.1	0	0	0	0	112.8	F241 Y242	S239-F241 PolarHBondContact O-N 2.92Å; S239-Y242 PolarHBondContact O-N 2.94Å
240	A	65.7	Low	54.7	Low	100 Å²	100	148.8 Å²	148.8	83%	0.826	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	8.6	179.8	0	0	0	0	0	115.7
241	F	66.3	Low	55.6	Low	201 Å²	201	147.4 Å²	147.4	88%	0.882	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.8	10.4	-178	-61.2	-79	0	0	0	112.7	S239	S239-F241 PolarHBondContact O-N 2.92Å
242	Y	58.9	Low	56.5	Low	176 Å²	176	147.5 Å²	147.5	69%	0.69	78%	0.775	S	S	*	*			trans	-87.7	113.7	179.2	-170.7	-99.5	0	0	0	110.7	S239 E244	S239-Y242 PolarHBondContact O-N 2.94Å; Y242-E244 HydrophobicContact CD1-CG 4.46Å; Y242-E244 HydrophobicContact CE1-CG 4.34Å
243	D	66.3	Low	57.7	Low	82 Å²	82	149.6 Å²	149.6	44%	0.439	78%	0.776	S	S	.	*			trans	-90.7	106.3	175.7	-174.7	-5.7	0	0	0	110.6	R245 L246	D243-R245 PolarHBondContact O-N 3.12Å; D243-R245 WeakPolarHBondContact OD1-CB 3.45Å; D243-R245 WeakPolarHBondContact OD1-CG 3.38Å; D243-R245 PolarHBondContact OD1-N 2.96Å; D243-L246 HydrophobicContact CB-CD1 4.16Å; D243-L246 HydrophobicContact CB-CG 4.48Å; D243-L246 PolarHBondContact O-N 2.88Å; D243-L246 VanDerWaalsContact O-N 3.15Å
244	E	69	Low	59.2	Low	179 Å²	179	148.6 Å²	148.6	84%	0.836	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.7	-15.6	177.7	-96.5	-178.6	159.8	0	0	114.6	Y242	Y242-E244 HydrophobicContact CD1-CG 4.46Å; Y242-E244 HydrophobicContact CE1-CG 4.34Å
245	R	74.3	Confident	60.4	Low	225 Å²	225	151.1 Å²	151.1	85%	0.849	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-17.1	-179.6	-57.5	178	-172.6	-171.6	3.2	112.7	D243 K247	D243-R245 PolarHBondContact O-N 3.12Å; D243-R245 WeakPolarHBondContact OD1-CB 3.45Å; D243-R245 WeakPolarHBondContact OD1-CG 3.38Å; D243-R245 PolarHBondContact OD1-N 2.96Å; R245-K247 PolarHBondContact O-N 2.95Å
246	L	66	Low	62.1	Low	100 Å²	100	159 Å²	159	52%	0.524	78%	0.784	S	S	.	*			trans	-92.1	94.8	-176.6	-71.8	173.1	0	0	0	111.2	D243 L248	D243-L246 HydrophobicContact CB-CD1 4.16Å; D243-L246 HydrophobicContact CB-CG 4.48Å; D243-L246 PolarHBondContact O-N 2.88Å; D243-L246 VanDerWaalsContact O-N 3.15Å; L246-L248 HydrophobicContact CB-CD1 4.36Å; L246-L248 HydrophobicContact CB-CG 4.23Å; L246-L248 PolarHBondContact O-N 3.01Å
247	K	65.2	Low	63.5	Low	211 Å²	211	158.6 Å²	158.6	92%	0.917	78%	0.782	S	S	*	*			trans	-71.2	71.3	167.3	-67	-174.8	-178	-179.7	0	111.2	R245	R245-K247 PolarHBondContact O-N 2.95Å
248	L	65.8	Low	65.2	Low	138 Å²	138	156.1 Å²	156.1	72%	0.723	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-84.1	122	174.4	-66.7	172	0	0	0	110	L246	L246-L248 HydrophobicContact CB-CD1 4.36Å; L246-L248 HydrophobicContact CB-CG 4.23Å; L246-L248 PolarHBondContact O-N 3.01Å
249	K	63.7	Low	66.4	Low	190 Å²	190	161.3 Å²	161.3	83%	0.826	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-61.5	131.2	170.7	-74	179.3	177.7	176.8	0	108.6	V251	K249-V251 PolarHBondContact O-N 2.86Å; K249-V251 VanDerWaalsContact O-N 3.1Å
250	P	61.3	Low	67.7	Low	121 Å²	121	166.3 Å²	166.3	79%	0.786	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-60.7	118.5	178.9	23.8	-32.3	0	0	0	109.7	S252	P250-S252 PolarHBondContact O-N 2.86Å
251	V	63.5	Low	68.5	Low	121 Å²	121	163.5 Å²	163.5	73%	0.733	76%	0.76	S	S	*	*			trans	-73.7	84.7	169.6	179.6	0	0	0	0	106.9	K249 R253	K249-V251 PolarHBondContact O-N 2.86Å; K249-V251 VanDerWaalsContact O-N 3.1Å; V251-R253 HydrophobicContact CG1-CG 4.03Å; V251-R253 PolarHBondContact O-N 2.89Å
252	S	58.7	Low	69.5	Low	114 Å²	114	161 Å²	161	80%	0.797	75%	0.75	S	S	*	*			trans	-71	79	170	-178.3	0	0	0	0	109.4	P250	P250-S252 PolarHBondContact O-N 2.86Å
253	R	60.9	Low	70.7	Confident	215 Å²	215	158.6 Å²	158.6	81%	0.811	76%	0.757	S	S	*	*			trans	-97.6	111.8	156.2	-74.5	-176.4	-166.7	171.9	5.6	106.3	V251 R255	V251-R253 HydrophobicContact CG1-CG 4.03Å; V251-R253 PolarHBondContact O-N 2.89Å; R253-R255 PolarHBondContact O-N 2.97Å
254	T	65.6	Low	71.7	Confident	128 Å²	128	156.7 Å²	156.7	79%	0.785	76%	0.756	S	S	*	*			trans	-50.9	123.2	166.4	38.5	0	0	0	0	108.8	R256	T254-R256 PolarHBondContact O-N 3.26Å
255	R	67.6	Low	72.5	Confident	243 Å²	243	153.5 Å²	153.5	92%	0.917	74%	0.741	S	S	*	*			trans	-56.4	116.5	172	-93.4	-174.2	173.2	-179.4	-0.3	107.2	R253 Q257	R253-R255 PolarHBondContact O-N 2.97Å; R255-Q257 PolarHBondContact O-N 2.94Å; R255-Q257 VanDerWaalsContact O-N 3.08Å
256	R	70	Confident	73.1	Confident	242 Å²	242	150 Å²	150	91%	0.913	73%	0.729	S	S	*	*			trans	-60.6	113.7	171.8	-70.4	-179	176.9	-175.8	-1.2	107.2	T254	T254-R256 PolarHBondContact O-N 3.26Å
257	Q	77.7	Confident	74.2	Confident	185 Å²	185	149.7 Å²	149.7	86%	0.864	73%	0.731	S	S	*	*			trans	-59.9	142.1	171.6	-68.3	-179.8	-6.3	0	0	109.2	R255 K259	R255-Q257 PolarHBondContact O-N 2.94Å; R255-Q257 VanDerWaalsContact O-N 3.08Å; Q257-K259 PolarHBondContact O-N 3.46Å
258	L	77.2	Confident	75.2	Confident	151 Å²	151	144.7 Å²	144.7	79%	0.791	71%	0.714	S	S	*	*			trans	-64.4	106.3	175.5	-70.6	166.4	0	0	0	108.7	F260	L258-F260 HydrophobicContact CB-CE2 4.2Å; L258-F260 HydrophobicContact CB-CZ 4.5Å; L258-F260 PolarHBondContact O-N 2.97Å
259	K	77.4	Confident	76.3	Confident	186 Å²	186	141.6 Å²	141.6	81%	0.809	70%	0.698	S	S	*	*			trans	-88.1	97.6	171.6	-170	176.8	-178.3	-177.9	0	108.1	Q257 V261	Q257-K259 PolarHBondContact O-N 3.46Å; K259-V261 PolarHBondContact O-N 3.46Å
260	F	81.4	Confident	77.6	Confident	184 Å²	184	134.2 Å²	134.2	81%	0.807	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-63.7	116.7	173.3	-68.9	-82.1	0	0	0	109.2	L258	L258-F260 HydrophobicContact CB-CE2 4.2Å; L258-F260 HydrophobicContact CB-CZ 4.5Å; L258-F260 PolarHBondContact O-N 2.97Å
261	V	81.8	Confident	79	Confident	42 Å²	42	131 Å²	131	26%	0.255	65%	0.652	S	S	.	*	P	Polyproline II helix	trans	-95.4	131.9	176.1	171.3	0	0	0	0	108	K259 E265 Y266	K259-V261 PolarHBondContact O-N 3.46Å; V261-E265 HydrophobicContact CG1-CB 3.55Å; V261-E265 HydrophobicContact CG1-CG 4.19Å; V261-E265 WeakPolarHBondContact CG1-OE2 3.34Å; V261-Y266 HydrophobicContact CB-CD2 4.22Å; V261-Y266 HydrophobicContact CB-CE2 3.66Å; V261-Y266 HydrophobicContact CG1-CD2 3.63Å; V261-Y266 HydrophobicContact CG1-CE2 3.46Å; V261-Y266 VanDerWaalsContact CG1-CE2 3.46Å; V261-Y266 HydrophobicContact CG2-CE2 3.56Å
262	Q	86.2	Confident	80.2	Confident	147 Å²	147	132.8 Å²	132.8	69%	0.687	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-55.9	137.9	179.3	-73.1	-80.5	-5	0	0	110	G264 E265	Q262-G264 PolarHBondContact O-N 2.78Å; Q262-G264 VanDerWaalsContact O-N 3.16Å; Q262-E265 PolarHBondContact O-N 2.88Å
263	P	84.7	Confident	81.8	Confident	127 Å²	127	133.1 Å²	133.1	83%	0.825	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	124.9	177.7	23.4	-32.4	0	0	0	109.6
264	G	86.5	Confident	83.2	Confident	41 Å²	41	130.1 Å²	130.1	42%	0.423	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	101.7	-14.8	179.5	0	0	0	0	0	116.6	Q262 Y266 V267 L268	Q262-G264 PolarHBondContact O-N 2.78Å; Q262-G264 VanDerWaalsContact O-N 3.16Å; G264-Y266 PolarHBondContact O-N 2.77Å; G264-V267 WeakPolarHBondContact O-CB 3.44Å; G264-V267 PolarHBondContact O-N 2.75Å; G264-V267 VanDerWaalsContact O-N 3.16Å; G264-L268 PolarHBondContact O-N 2.72Å
265	E	86.1	Confident	84.4	Confident	113 Å²	113	126.5 Å²	126.5	53%	0.528	61%	0.608	S	S	.	*	H	α-helix	trans	-61.5	-48.1	-178.7	-171.5	-178.2	154.6	0	0	112.1	V261 Q262 V267 L268 L269	V261-E265 HydrophobicContact CG1-CB 3.55Å; V261-E265 HydrophobicContact CG1-CG 4.19Å; V261-E265 WeakPolarHBondContact CG1-OE2 3.34Å; Q262-E265 PolarHBondContact O-N 2.88Å; E265-V267 VanDerWaalsContact C-N 3.3Å; E265-V267 PolarHBondContact O-N 2.86Å; E265-L268 PolarHBondContact O-N 3.28Å; E265-L269 PolarHBondContact O-N 3.12Å
266	Y	88.2	Confident	85.5	Confident	151 Å²	151	121.9 Å²	121.9	59%	0.592	59%	0.594	S	S	*	*	H	α-helix	trans	-70.2	-27.1	176.2	-70.7	-65	0	0	0	113	V261 G264 L269 A270	V261-Y266 HydrophobicContact CB-CD2 4.22Å; V261-Y266 HydrophobicContact CB-CE2 3.66Å; V261-Y266 HydrophobicContact CG1-CD2 3.63Å; V261-Y266 HydrophobicContact CG1-CE2 3.46Å; V261-Y266 VanDerWaalsContact CG1-CE2 3.46Å; V261-Y266 HydrophobicContact CG2-CE2 3.56Å; G264-Y266 PolarHBondContact O-N 2.77Å; Y266-L269 HydrophobicContact CD1-CD2 4.27Å; Y266-L269 PolarHBondContact O-N 3.48Å; Y266-A270 WeakPolarHBondContact O-CB 3.43Å; Y266-A270 PolarHBondContact O-N 3.46Å
267	V	88.4	Confident	86.5	Confident	94 Å²	94	113.8 Å²	113.8	57%	0.57	58%	0.575	S	S	*	*	H	α-helix	trans	-66.4	-42.7	173.1	-179.2	0	0	0	0	109.6	G264 E265 A270 S271	G264-V267 WeakPolarHBondContact O-CB 3.44Å; G264-V267 PolarHBondContact O-N 2.75Å; G264-V267 VanDerWaalsContact O-N 3.16Å; E265-V267 VanDerWaalsContact C-N 3.3Å; E265-V267 PolarHBondContact O-N 2.86Å; V267-A270 PolarHBondContact O-N 2.81Å; V267-S271 WeakPolarHBondContact O-CB 3.32Å; V267-S271 PolarHBondContact O-N 2.9Å; V267-S271 PolarHBondContact O-OG 3.03Å
268	L	86.6	Confident	87.1	Confident	105 Å²	105	112.1 Å²	112.1	55%	0.55	57%	0.565	S	S	.	*	H	α-helix	trans	-66.9	-42.2	176.5	-156.7	157.1	0	0	0	111.3	G264 E265 S271 R272	G264-L268 PolarHBondContact O-N 2.72Å; E265-L268 PolarHBondContact O-N 3.28Å; L268-S271 PolarHBondContact O-N 2.99Å; L268-R272 WeakPolarHBondContact O-CB 3.39Å; L268-R272 PolarHBondContact O-N 3.33Å
269	L	89.6	Confident	87.7	Confident	73 Å²	73	110.3 Å²	110.3	38%	0.382	56%	0.556	S	S	.	*	H	α-helix	trans	-62.2	-44.5	174.5	-174.7	64.1	0	0	0	111.8	E265 Y266 R272 M273	E265-L269 PolarHBondContact O-N 3.12Å; Y266-L269 HydrophobicContact CD1-CD2 4.27Å; Y266-L269 PolarHBondContact O-N 3.48Å; L269-R272 PolarHBondContact O-N 3.48Å; L269-M273 WeakPolarHBondContact O-CG 3.44Å; L269-M273 PolarHBondContact O-N 3.42Å
270	A	89.4	Confident	88.2	Confident	35 Å²	35	104.3 Å²	104.3	29%	0.289	54%	0.535	S	S	.	.	H	α-helix	trans	-63	-44.1	176.3	0	0	0	0	0	111.3	Y266 V267 R272 M273 R274	Y266-A270 WeakPolarHBondContact O-CB 3.43Å; Y266-A270 PolarHBondContact O-N 3.46Å; V267-A270 PolarHBondContact O-N 2.81Å; A270-R272 VanDerWaalsContact C-N 3.33Å; A270-R272 PolarHBondContact O-N 3.1Å; A270-M273 PolarHBondContact O-N 3.42Å; A270-R274 WeakPolarHBondContact O-CG 3.43Å; A270-R274 PolarHBondContact O-N 3.35Å
271	S	91	Very high	88.4	Confident	53 Å²	53	100.2 Å²	100.2	37%	0.371	52%	0.518	S	S	.	.	H	α-helix	trans	-61.5	-40.2	175.3	-67.8	0	0	0	0	112	V267 L268 R274 A275	V267-S271 WeakPolarHBondContact O-CB 3.32Å; V267-S271 PolarHBondContact O-N 2.9Å; V267-S271 PolarHBondContact O-OG 3.03Å; L268-S271 PolarHBondContact O-N 2.99Å; S271-R274 PolarHBondContact O-N 3.23Å; S271-A275 WeakPolarHBondContact O-CB 3.38Å; S271-A275 PolarHBondContact O-N 3.45Å
272	R	90.1	Very high	88.6	Confident	160 Å²	160	102.4 Å²	102.4	60%	0.604	53%	0.528	S	S	*	.	H	α-helix	trans	-63.5	-43	173.7	-174.1	-174.9	-65.4	158.7	0.2	112.1	L268 L269 A270 A275 K276	L268-R272 WeakPolarHBondContact O-CB 3.39Å; L268-R272 PolarHBondContact O-N 3.33Å; L269-R272 PolarHBondContact O-N 3.48Å; A270-R272 VanDerWaalsContact C-N 3.33Å; A270-R272 PolarHBondContact O-N 3.1Å; R272-A275 PolarHBondContact O-N 3.3Å; R272-K276 WeakPolarHBondContact O-CB 3.36Å; R272-K276 PolarHBondContact O-N 2.88Å
273	M	90.9	Very high	88.5	Confident	121 Å²	121	102 Å²	102	60%	0.596	53%	0.526	S	S	*	.	H	α-helix	trans	-64.2	-43.7	176.4	-72.6	-68.3	-158.4	0	0	111.6	L269 A270 K276 S277	L269-M273 WeakPolarHBondContact O-CG 3.44Å; L269-M273 PolarHBondContact O-N 3.42Å; A270-M273 PolarHBondContact O-N 3.42Å; M273-K276 PolarHBondContact O-N 2.7Å; M273-S277 WeakPolarHBondContact O-CB 3.48Å; M273-S277 PolarHBondContact O-N 3.38Å
274	R	91.8	Very high	88.6	Confident	152 Å²	152	101.6 Å²	101.6	57%	0.574	51%	0.513	S	S	*	.	H	α-helix	trans	-62.7	-44.1	174.5	-70.9	-174.4	-135.4	131.8	-0.9	111.8	A270 S271 K276 S277 K278	A270-R274 WeakPolarHBondContact O-CG 3.43Å; A270-R274 PolarHBondContact O-N 3.35Å; S271-R274 PolarHBondContact O-N 3.23Å; R274-K276 VanDerWaalsContact C-N 3.35Å; R274-K276 PolarHBondContact O-N 2.92Å; R274-S277 PolarHBondContact O-N 3.42Å; R274-K278 WeakPolarHBondContact O-CB 3.4Å; R274-K278 WeakPolarHBondContact O-CG 3.33Å; R274-K278 PolarHBondContact O-N 2.91Å
275	A	90.3	Very high	88.5	Confident	51 Å²	51	104.1 Å²	104.1	42%	0.421	51%	0.514	S	S	.	.	H	α-helix	trans	-61.4	-43.2	176.3	0	0	0	0	0	111.6	S271 R272 K278 L279	S271-A275 WeakPolarHBondContact O-CB 3.38Å; S271-A275 PolarHBondContact O-N 3.45Å; R272-A275 PolarHBondContact O-N 3.3Å; A275-K278 PolarHBondContact O-N 3.27Å; A275-L279 WeakPolarHBondContact O-CG 3.4Å; A275-L279 PolarHBondContact O-N 3.16Å
276	K	91	Very high	88.2	Confident	146 Å²	146	104.3 Å²	104.3	64%	0.635	52%	0.517	S	S	*	.	H	α-helix	trans	-61.9	-44.2	174.7	-171.4	179.2	178.8	-176.4	0	111.8	R272 M273 R274 L279 T280	R272-K276 WeakPolarHBondContact O-CB 3.36Å; R272-K276 PolarHBondContact O-N 2.88Å; M273-K276 PolarHBondContact O-N 2.7Å; R274-K276 VanDerWaalsContact C-N 3.35Å; R274-K276 PolarHBondContact O-N 2.92Å; K276-L279 PolarHBondContact O-N 3.45Å; K276-T280 WeakPolarHBondContact O-CG2 3.28Å; K276-T280 PolarHBondContact O-N 3.46Å; K276-T280 PolarHBondContact O-OG1 3.1Å
277	S	91.4	Very high	87.6	Confident	73 Å²	73	99.8 Å²	99.8	51%	0.51	51%	0.507	S	S	.	.	H	α-helix	trans	-64.8	-42.4	177.3	177.9	0	0	0	0	112.3	M273 R274 T280 H281	M273-S277 WeakPolarHBondContact O-CB 3.48Å; M273-S277 PolarHBondContact O-N 3.38Å; R274-S277 PolarHBondContact O-N 3.42Å; S277-T280 WeakPolarHBondContact CA-OG1 3.35Å; S277-T280 PolarHBondContact O-N 3.42Å; S277-T280 PolarHBondContact O-OG1 2.84Å; S277-H281 WeakPolarHBondContact O-CB 3.32Å; S277-H281 PolarHBondContact O-N 3.06Å
278	K	90.4	Very high	87.2	Confident	149 Å²	149	100.4 Å²	100.4	65%	0.648	50%	0.504	S	S	*	.	H	α-helix	trans	-61.1	-43.9	173.3	-76	-174.8	177.7	-171.4	0	111.8	R274 A275 H281 L282	R274-K278 WeakPolarHBondContact O-CB 3.4Å; R274-K278 WeakPolarHBondContact O-CG 3.33Å; R274-K278 PolarHBondContact O-N 2.91Å; A275-K278 PolarHBondContact O-N 3.27Å; K278-H281 PolarHBondContact O-N 3.48Å; K278-L282 WeakPolarHBondContact O-CB 3.3Å; K278-L282 WeakPolarHBondContact O-CG 3.25Å; K278-L282 PolarHBondContact O-N 3.44Å
279	L	88.4	Confident	86.8	Confident	113 Å²	113	97.8 Å²	97.8	59%	0.592	50%	0.497	S	S	*	.	H	α-helix	trans	-62.2	-43.6	175.9	-78.4	173.7	0	0	0	112.1	A275 K276 H281 L282 E283	A275-L279 WeakPolarHBondContact O-CG 3.4Å; A275-L279 PolarHBondContact O-N 3.16Å; K276-L279 PolarHBondContact O-N 3.45Å; L279-H281 VanDerWaalsContact C-N 3.3Å; L279-H281 PolarHBondContact O-N 2.8Å; L279-L282 PolarHBondContact O-N 2.93Å; L279-E283 VanDerWaalsContact O-CB 3.32Å; L279-E283 WeakPolarHBondContact O-CB 3.32Å; L279-E283 PolarHBondContact O-N 3.35Å
280	T	87.5	Confident	86.1	Confident	60 Å²	60	95.6 Å²	95.6	37%	0.368	49%	0.49	S	S	.	.	H	α-helix	trans	-64.9	-35.7	176.3	51.4	0	0	0	0	112.4	K276 S277 Q284	K276-T280 WeakPolarHBondContact O-CG2 3.28Å; K276-T280 PolarHBondContact O-N 3.46Å; K276-T280 PolarHBondContact O-OG1 3.1Å; S277-T280 WeakPolarHBondContact CA-OG1 3.35Å; S277-T280 PolarHBondContact O-N 3.42Å; S277-T280 PolarHBondContact O-OG1 2.84Å; T280-Q284 WeakPolarHBondContact O-CB 3.4Å; T280-Q284 VanDerWaalsContact O-CG 3.27Å; T280-Q284 WeakPolarHBondContact O-CG 3.39Å; T280-Q284 PolarHBondContact O-N 3.17Å
281	H	87.4	Confident	85.2	Confident	99 Å²	99	100.7 Å²	100.7	46%	0.458	51%	0.505	S	S	.	.	H	α-helix	trans	-67.5	-47.5	175.6	-170.8	-86.5	0	0	0	111.2	S277 K278 L279 E283 Q284 E285	S277-H281 WeakPolarHBondContact O-CB 3.32Å; S277-H281 PolarHBondContact O-N 3.06Å; K278-H281 PolarHBondContact O-N 3.48Å; L279-H281 VanDerWaalsContact C-N 3.3Å; L279-H281 PolarHBondContact O-N 2.8Å; H281-E283 VanDerWaalsContact C-N 3.33Å; H281-E283 PolarHBondContact O-N 3.06Å; H281-Q284 CarbonylContact O-C 3.58Å; H281-Q284 WeakPolarHBondContact O-CB 3.23Å; H281-Q284 PolarHBondContact O-N 2.89Å; H281-Q284 VanDerWaalsContact O-N 3.14Å; H281-E285 IonicContact CE1-OE1 2.73Å; H281-E285 PolarHBondContact CE1-OE1 2.58Å; H281-E285 IonicContact CE1-OE2 3.19Å; H281-E285 VanDerWaalsContact ND1-CD 3.3Å; H281-E285 IonicContact ND1-OE1 2.89Å; H281-E285 IonicContact ND1-OE2 3.2Å; H281-E285 PolarHBondContact ND1-OE2 2.93Å; H281-E285 WeakPolarHBondContact O-CG 3.44Å; H281-E285 PolarHBondContact O-N 2.85Å
282	L	85.6	Confident	84.4	Confident	87 Å²	87	106.6 Å²	106.6	46%	0.455	52%	0.524	S	S	.	.	H	α-helix	trans	-60.8	-40.9	175.5	-74.2	170.3	0	0	0	111.7	K278 L279 Q284 E285 I286	K278-L282 WeakPolarHBondContact O-CB 3.3Å; K278-L282 WeakPolarHBondContact O-CG 3.25Å; K278-L282 PolarHBondContact O-N 3.44Å; L279-L282 PolarHBondContact O-N 2.93Å; L282-Q284 VanDerWaalsContact C-N 3.32Å; L282-Q284 PolarHBondContact O-N 3.04Å; L282-E285 PolarHBondContact O-N 3.34Å; L282-I286 WeakPolarHBondContact O-CB 3.34Å; L282-I286 WeakPolarHBondContact O-CD1 3.49Å; L282-I286 WeakPolarHBondContact O-CG1 3.33Å; L282-I286 PolarHBondContact O-N 2.88Å
283	E	84.3	Confident	83.3	Confident	140 Å²	140	103 Å²	103	65%	0.654	52%	0.521	S	S	*	.	H	α-helix	trans	-62	-40.6	175	-173.7	178.5	-177.8	0	0	111.5	L279 H281 S287	L279-E283 VanDerWaalsContact O-CB 3.32Å; L279-E283 WeakPolarHBondContact O-CB 3.32Å; L279-E283 PolarHBondContact O-N 3.35Å; H281-E283 VanDerWaalsContact C-N 3.33Å; H281-E283 PolarHBondContact O-N 3.06Å; E283-S287 WeakPolarHBondContact O-CB 3.2Å; E283-S287 PolarHBondContact O-N 2.76Å
284	Q	85.4	Confident	82.1	Confident	118 Å²	118	98.7 Å²	98.7	55%	0.551	51%	0.507	S	S	*	.	H	α-helix	trans	-67	-42.6	173.9	-74.5	174.9	-1.6	0	0	112.3	T280 H281 L282 S287 Q288	T280-Q284 WeakPolarHBondContact O-CB 3.4Å; T280-Q284 VanDerWaalsContact O-CG 3.27Å; T280-Q284 WeakPolarHBondContact O-CG 3.39Å; T280-Q284 PolarHBondContact O-N 3.17Å; H281-Q284 CarbonylContact O-C 3.58Å; H281-Q284 WeakPolarHBondContact O-CB 3.23Å; H281-Q284 PolarHBondContact O-N 2.89Å; H281-Q284 VanDerWaalsContact O-N 3.14Å; L282-Q284 VanDerWaalsContact C-N 3.32Å; L282-Q284 PolarHBondContact O-N 3.04Å; Q284-S287 PolarHBondContact O-N 3.39Å; Q284-Q288 WeakPolarHBondContact O-CB 3.36Å; Q284-Q288 VanDerWaalsContact O-CG 3.3Å; Q284-Q288 WeakPolarHBondContact O-CG 3.45Å; Q284-Q288 PolarHBondContact O-N 3.15Å
285	E	84.2	Confident	80.8	Confident	94 Å²	94	96.1 Å²	96.1	44%	0.439	50%	0.503	S	S	.	.	H	α-helix	trans	-64.3	-45.4	176.4	-76.7	-178.8	142.4	0	0	111.7	H281 L282 S287 Q288 A289	H281-E285 IonicContact CE1-OE1 2.73Å; H281-E285 PolarHBondContact CE1-OE1 2.58Å; H281-E285 IonicContact CE1-OE2 3.19Å; H281-E285 VanDerWaalsContact ND1-CD 3.3Å; H281-E285 IonicContact ND1-OE1 2.89Å; H281-E285 IonicContact ND1-OE2 3.2Å; H281-E285 PolarHBondContact ND1-OE2 2.93Å; H281-E285 WeakPolarHBondContact O-CG 3.44Å; H281-E285 PolarHBondContact O-N 2.85Å; L282-E285 PolarHBondContact O-N 3.34Å; E285-S287 VanDerWaalsContact C-N 3.32Å; E285-S287 PolarHBondContact O-N 2.69Å; E285-Q288 PolarHBondContact O-N 2.86Å; E285-A289 VanDerWaalsContact O-CB 3.26Å; E285-A289 WeakPolarHBondContact O-CB 3.42Å; E285-A289 PolarHBondContact O-N 2.89Å
286	I	79.8	Confident	79.6	Confident	116 Å²	116	95.5 Å²	95.5	60%	0.595	50%	0.496	S	S	*	.	H	α-helix	trans	-61.4	-43.3	174.8	-68	165.3	0	0	0	109.9	L282 A289 A290	L282-I286 WeakPolarHBondContact O-CB 3.34Å; L282-I286 WeakPolarHBondContact O-CD1 3.49Å; L282-I286 WeakPolarHBondContact O-CG1 3.33Å; L282-I286 PolarHBondContact O-N 2.88Å; I286-A289 PolarHBondContact O-N 3.36Å; I286-A290 WeakPolarHBondContact O-CB 3.45Å; I286-A290 PolarHBondContact O-N 3.13Å
287	S	75.9	Confident	78.4	Confident	56 Å²	56	91.4 Å²	91.4	39%	0.392	49%	0.486	S	S	.	.	H	α-helix	trans	-62.2	-43.4	176	-177.4	0	0	0	0	112	E283 Q284 E285 K291	E283-S287 WeakPolarHBondContact O-CB 3.2Å; E283-S287 PolarHBondContact O-N 2.76Å; Q284-S287 PolarHBondContact O-N 3.39Å; E285-S287 VanDerWaalsContact C-N 3.32Å; E285-S287 PolarHBondContact O-N 2.69Å; S287-K291 WeakPolarHBondContact O-CB 3.44Å; S287-K291 VanDerWaalsContact O-CG 3.25Å; S287-K291 WeakPolarHBondContact O-CG 3.4Å; S287-K291 PolarHBondContact O-N 3.46Å
288	Q	81.1	Confident	77.1	Confident	108 Å²	108	90.7 Å²	90.7	51%	0.505	48%	0.484	S	S	.	.	H	α-helix	trans	-68	-41.8	176	-73.8	-178.6	21	0	0	112.1	Q284 E285 K291 K292	Q284-Q288 WeakPolarHBondContact O-CB 3.36Å; Q284-Q288 VanDerWaalsContact O-CG 3.3Å; Q284-Q288 WeakPolarHBondContact O-CG 3.45Å; Q284-Q288 PolarHBondContact O-N 3.15Å; E285-Q288 PolarHBondContact O-N 2.86Å; Q288-K291 PolarHBondContact O-N 2.97Å; Q288-K292 WeakPolarHBondContact O-CB 3.41Å; Q288-K292 WeakPolarHBondContact O-CG 3.39Å; Q288-K292 PolarHBondContact O-N 3.07Å
289	A	77.9	Confident	76.1	Confident	49 Å²	49	86.9 Å²	86.9	41%	0.405	47%	0.473	S	S	.	.	H	α-helix	trans	-62.7	-46.3	175.8	0	0	0	0	0	110.9	E285 I286 K291 K292 T293	E285-A289 VanDerWaalsContact O-CB 3.26Å; E285-A289 WeakPolarHBondContact O-CB 3.42Å; E285-A289 PolarHBondContact O-N 2.89Å; I286-A289 PolarHBondContact O-N 3.36Å; A289-K291 VanDerWaalsContact C-N 3.27Å; A289-K291 PolarHBondContact O-N 3.07Å; A289-K292 PolarHBondContact O-N 2.82Å; A289-K292 VanDerWaalsContact O-N 3.16Å; A289-T293 WeakPolarHBondContact O-CG2 3.5Å; A289-T293 PolarHBondContact O-N 2.86Å; A289-T293 PolarHBondContact O-OG1 3.22Å
290	A	74.3	Confident	75.1	Confident	27 Å²	27	86.1 Å²	86.1	22%	0.223	47%	0.465	C	S	.	.	H	α-helix	trans	-65.4	-26.6	176.6	0	0	0	0	0	113.6	I286 T293 I295 S296	I286-A290 WeakPolarHBondContact O-CB 3.45Å; I286-A290 PolarHBondContact O-N 3.13Å; A290-T293 WeakPolarHBondContact CA-OG1 3.47Å; A290-I295 PolarHBondContact O-N 2.67Å; A290-S296 PolarHBondContact O-N 2.9Å; A290-S296 VanDerWaalsContact O-N 3.08Å; A290-S296 PolarHBondContact O-OG 3.48Å
291	K	70.5	Confident	74	Confident	142 Å²	142	87.3 Å²	87.3	62%	0.617	47%	0.466	S	S	*	.	H	α-helix	trans	-74.1	-46.5	169.1	-75.9	174.9	-176.7	-175.6	0	111.4	S287 Q288 A289 T293 G294	S287-K291 WeakPolarHBondContact O-CB 3.44Å; S287-K291 VanDerWaalsContact O-CG 3.25Å; S287-K291 WeakPolarHBondContact O-CG 3.4Å; S287-K291 PolarHBondContact O-N 3.46Å; Q288-K291 PolarHBondContact O-N 2.97Å; A289-K291 VanDerWaalsContact C-N 3.27Å; A289-K291 PolarHBondContact O-N 3.07Å; K291-T293 PolarHBondContact O-N 2.66Å; K291-G294 PolarHBondContact O-N 3.17Å
292	K	74.4	Confident	73	Confident	177 Å²	177	86 Å²	86	77%	0.77	47%	0.471	S	S	*	.	H	α-helix	trans	-63.7	-37.6	179.6	-75.5	178.1	-180	-179.5	0	112.8	Q288 A289 G294	Q288-K292 WeakPolarHBondContact O-CB 3.41Å; Q288-K292 WeakPolarHBondContact O-CG 3.39Å; Q288-K292 PolarHBondContact O-N 3.07Å; A289-K292 PolarHBondContact O-N 2.82Å; A289-K292 VanDerWaalsContact O-N 3.16Å; K292-G294 VanDerWaalsContact C-N 3.25Å; K292-G294 PolarHBondContact O-N 2.84Å
293	T	67.4	Low	72.1	Confident	86 Å²	86	87.7 Å²	87.7	53%	0.528	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-5	178	56	0	0	0	0	113.2	A289 A290 K291 I295	A289-T293 WeakPolarHBondContact O-CG2 3.5Å; A289-T293 PolarHBondContact O-N 2.86Å; A289-T293 PolarHBondContact O-OG1 3.22Å; A290-T293 WeakPolarHBondContact CA-OG1 3.47Å; K291-T293 PolarHBondContact O-N 2.66Å; T293-I295 HydrophobicContact CG2-CD1 4.38Å; T293-I295 PolarHBondContact O-N 2.92Å; T293-I295 VanDerWaalsContact OG1-CD1 3.25Å; T293-I295 WeakPolarHBondContact OG1-CD1 3.45Å; T293-I295 VanDerWaalsContact OG1-CG1 3.26Å; T293-I295 WeakPolarHBondContact OG1-CG1 3.19Å
294	G	65.6	Low	71	Confident	29 Å²	29	82.1 Å²	82.1	30%	0.299	45%	0.454	S	S	.	.	S	Bend	trans	67.1	-0.3	-175.2	0	0	0	0	0	114.6	K291 K292 S296 S297 A298	K291-G294 PolarHBondContact O-N 3.17Å; K292-G294 VanDerWaalsContact C-N 3.25Å; K292-G294 PolarHBondContact O-N 2.84Å; G294-S296 VanDerWaalsContact C-N 3.27Å; G294-S296 PolarHBondContact O-N 2.76Å; G294-S297 PolarHBondContact O-N 3.43Å; G294-S297 VanDerWaalsContact O-N 3.17Å; G294-A298 WeakPolarHBondContact O-CB 3.47Å; G294-A298 PolarHBondContact O-N 3.41Å
295	I	64.4	Low	69.9	Low	99 Å²	99	78.8 Å²	78.8	51%	0.508	45%	0.447	S	S	.	.	H	α-helix	trans	-59.5	-40.1	-178	-63.6	169.3	0	0	0	110.5	A290 T293 S297 A298 V299	A290-I295 PolarHBondContact O-N 2.67Å; T293-I295 HydrophobicContact CG2-CD1 4.38Å; T293-I295 PolarHBondContact O-N 2.92Å; T293-I295 VanDerWaalsContact OG1-CD1 3.25Å; T293-I295 WeakPolarHBondContact OG1-CD1 3.45Å; T293-I295 VanDerWaalsContact OG1-CG1 3.26Å; T293-I295 WeakPolarHBondContact OG1-CG1 3.19Å; I295-S297 PolarHBondContact O-N 3.19Å; I295-A298 PolarHBondContact O-N 3.22Å; I295-V299 HydrophobicContact CG2-CG2 3.91Å; I295-V299 WeakPolarHBondContact O-CB 3.35Å; I295-V299 WeakPolarHBondContact O-CG2 3.48Å; I295-V299 PolarHBondContact O-N 2.86Å
296	S	65.5	Low	68.6	Low	38 Å²	38	78.6 Å²	78.6	27%	0.266	45%	0.454	S	S	.	.	H	α-helix	trans	-63.5	-40.8	178.9	54.6	0	0	0	0	112.8	A290 G294 K300	A290-S296 PolarHBondContact O-N 2.9Å; A290-S296 VanDerWaalsContact O-N 3.08Å; A290-S296 PolarHBondContact O-OG 3.48Å; G294-S296 VanDerWaalsContact C-N 3.27Å; G294-S296 PolarHBondContact O-N 2.76Å; S296-K300 WeakPolarHBondContact O-CB 3.28Å; S296-K300 VanDerWaalsContact O-CG 3.29Å; S296-K300 WeakPolarHBondContact O-CG 3.43Å; S296-K300 PolarHBondContact O-N 3.2Å
297	S	65.4	Low	67.6	Low	59 Å²	59	79.2 Å²	79.2	41%	0.413	45%	0.452	S	S	.	.	H	α-helix	trans	-68.8	-47.4	173.7	-56.6	0	0	0	0	110.5	G294 I295 V299 K300 F301	G294-S297 PolarHBondContact O-N 3.43Å; G294-S297 VanDerWaalsContact O-N 3.17Å; I295-S297 PolarHBondContact O-N 3.19Å; S297-V299 PolarHBondContact O-N 2.8Å; S297-K300 PolarHBondContact O-N 3.22Å; S297-F301 WeakPolarHBondContact O-CB 3.48Å; S297-F301 WeakPolarHBondContact O-CD2 3.34Å; S297-F301 PolarHBondContact O-N 3.1Å
298	A	63.5	Low	66.6	Low	59 Å²	59	81.6 Å²	81.6	49%	0.488	46%	0.459	S	S	.	.	H	α-helix	trans	-62	-41.2	-179	0	0	0	0	0	113.2	G294 I295 F301 A302	G294-A298 WeakPolarHBondContact O-CB 3.47Å; G294-A298 PolarHBondContact O-N 3.41Å; I295-A298 PolarHBondContact O-N 3.22Å; A298-F301 PolarHBondContact O-N 2.89Å; A298-A302 VanDerWaalsContact O-CB 3.26Å; A298-A302 WeakPolarHBondContact O-CB 3.45Å; A298-A302 PolarHBondContact O-N 3.3Å
299	V	69.9	Low	65	Low	69 Å²	69	79.2 Å²	79.2	42%	0.418	46%	0.455	S	S	.	.	H	α-helix	trans	-65.6	-42.6	175.2	171	0	0	0	0	110.8	I295 S297 A302 M303	I295-V299 HydrophobicContact CG2-CG2 3.91Å; I295-V299 WeakPolarHBondContact O-CB 3.35Å; I295-V299 WeakPolarHBondContact O-CG2 3.48Å; I295-V299 PolarHBondContact O-N 2.86Å; S297-V299 PolarHBondContact O-N 2.8Å; V299-A302 PolarHBondContact O-N 3.11Å; V299-M303 HydrophobicContact CG1-CE 3.97Å; V299-M303 WeakPolarHBondContact O-CG 3.17Å; V299-M303 PolarHBondContact O-N 3.43Å
300	K	66.4	Low	63.8	Low	97 Å²	97	82.9 Å²	82.9	42%	0.422	46%	0.464	S	S	.	.	H	α-helix	trans	-62.7	-46.5	175	-75.6	-178.9	179.6	-168.5	0	111.3	S296 S297 A302 M303 V304 I600	S296-K300 WeakPolarHBondContact O-CB 3.28Å; S296-K300 VanDerWaalsContact O-CG 3.29Å; S296-K300 WeakPolarHBondContact O-CG 3.43Å; S296-K300 PolarHBondContact O-N 3.2Å; S297-K300 PolarHBondContact O-N 3.22Å; K300-A302 VanDerWaalsContact C-N 3.32Å; K300-A302 PolarHBondContact O-N 3.32Å; K300-M303 PolarHBondContact O-N 2.91Å; K300-V304 WeakPolarHBondContact O-CG2 3.32Å; K300-V304 PolarHBondContact O-N 3.02Å; K300-I600 HydrophobicContact CB-CD1 3.94Å; K300-I600 HydrophobicContact CB-CG1 4.38Å; K300-I600 HydrophobicContact CB-CG2 4.28Å
301	F	65.8	Low	62.8	Low	85 Å²	85	90 Å²	90	37%	0.373	49%	0.49	S	S	.	.	H	α-helix	trans	-58.8	-42.1	173.7	-78.8	-64.9	0	0	0	112	S297 A298 M303 V304 A305 I600 M601	S297-F301 WeakPolarHBondContact O-CB 3.48Å; S297-F301 WeakPolarHBondContact O-CD2 3.34Å; S297-F301 PolarHBondContact O-N 3.1Å; A298-F301 PolarHBondContact O-N 2.89Å; F301-M303 VanDerWaalsContact C-N 3.3Å; F301-M303 PolarHBondContact O-N 3.18Å; F301-V304 PolarHBondContact O-N 3.3Å; F301-V304 VanDerWaalsContact O-N 3.13Å; F301-A305 PolarHBondContact O-N 3.22Å; F301-I600 HydrophobicContact CD1-CG2 3.9Å; F301-I600 HydrophobicContact CD2-CG2 4.1Å; F301-I600 HydrophobicContact CE1-CB 4.43Å; F301-I600 HydrophobicContact CE1-CG2 3.63Å; F301-I600 HydrophobicContact CE2-CG2 3.81Å; F301-I600 HydrophobicContact CG-CG2 4.13Å; F301-I600 HydrophobicContact CZ-CG2 3.58Å; F301-M601 HydrophobicContact CE1-CG 3.92Å; F301-M601 HydrophobicContact CE1-SD 3.67Å; F301-M601 HydrophobicContact CZ-CG 4.48Å; F301-M601 HydrophobicContact CZ-SD 4.18Å
302	A	65.1	Low	61.8	Low	70 Å²	70	87.8 Å²	87.8	58%	0.579	49%	0.488	S	S	*	.	H	α-helix	trans	-65.9	-29.8	177.1	0	0	0	0	0	113.2	A298 V299 K300 V304	A298-A302 VanDerWaalsContact O-CB 3.26Å; A298-A302 WeakPolarHBondContact O-CB 3.45Å; A298-A302 PolarHBondContact O-N 3.3Å; V299-A302 PolarHBondContact O-N 3.11Å; K300-A302 VanDerWaalsContact C-N 3.32Å; K300-A302 PolarHBondContact O-N 3.32Å; A302-V304 VanDerWaalsContact C-N 3.33Å
303	M	67.3	Low	60.9	Low	123 Å²	123	86.9 Å²	86.9	61%	0.606	49%	0.487	S	S	*	.	H	α-helix	trans	-73.1	-26.8	173	-72.8	-175.7	178.9	0	0	113.2	V299 K300 F301	V299-M303 HydrophobicContact CG1-CE 3.97Å; V299-M303 WeakPolarHBondContact O-CG 3.17Å; V299-M303 PolarHBondContact O-N 3.43Å; K300-M303 PolarHBondContact O-N 2.91Å; F301-M303 VanDerWaalsContact C-N 3.3Å; F301-M303 PolarHBondContact O-N 3.18Å
304	V	62.1	Low	60.4	Low	23 Å²	23	86.1 Å²	86.1	14%	0.139	49%	0.485	C	S	.	.	H	α-helix	trans	-85.3	-37.1	178.4	174.5	0	0	0	0	112.4	K300 F301 A302 P306 F596 S597 I600	K300-V304 WeakPolarHBondContact O-CG2 3.32Å; K300-V304 PolarHBondContact O-N 3.02Å; F301-V304 PolarHBondContact O-N 3.3Å; F301-V304 VanDerWaalsContact O-N 3.13Å; A302-V304 VanDerWaalsContact C-N 3.33Å; V304-P306 VanDerWaalsContact O-N 3.08Å; V304-F596 HydrophobicContact CG2-CD1 3.25Å; V304-F596 HydrophobicContact CG2-CE1 3.29Å; V304-S597 WeakPolarHBondContact CG1-OG 3.26Å; V304-I600 HydrophobicContact CG2-CD1 3.47Å; V304-I600 VanDerWaalsContact CG2-CD1 3.47Å
305	A	61.6	Low	60.6	Low	49 Å²	49	90.6 Å²	90.6	41%	0.405	51%	0.507	S	S	.	.	S	Bend	trans	-50.3	123.3	174.6	0	0	0	0	0	107.3	F301 K307	F301-A305 PolarHBondContact O-N 3.22Å; A305-K307 PolarHBondContact O-N 2.69Å
306	P	57.5	Low	61.2	Low	90 Å²	90	92.3 Å²	92.3	58%	0.584	52%	0.521	S	S	*	.			trans	-50.6	138.6	169.9	18.9	-26.5	0	0	0	105.9	V304 I308	V304-P306 VanDerWaalsContact O-N 3.08Å; P306-I308 HydrophobicContact CB-CG1 4.32Å; P306-I308 HydrophobicContact CG-CD1 4.17Å; P306-I308 HydrophobicContact CG-CG1 3.97Å; P306-I308 WeakPolarHBondContact O-CG1 3.3Å; P306-I308 PolarHBondContact O-N 3.31Å
307	K	58.1	Low	61.9	Low	129 Å²	129	94.7 Å²	94.7	56%	0.561	54%	0.536	S	S	*	.			trans	-66.2	71.8	173.6	-64.4	-178.4	-179.1	179.9	0	107.9	A305 S309 E310	A305-K307 PolarHBondContact O-N 2.69Å; K307-S309 PolarHBondContact O-N 3.4Å; K307-E310 HydrophobicContact CB-CB 4.27Å; K307-E310 HydrophobicContact CB-CG 4.41Å; K307-E310 HydrophobicContact CD-CG 4.12Å; K307-E310 WeakPolarHBondContact CD-OE1 3.42Å; K307-E310 WeakPolarHBondContact CD-OE2 3.44Å; K307-E310 VanDerWaalsContact NZ-CD 3.29Å; K307-E310 IonicContact NZ-OE1 2.67Å; K307-E310 PolarHBondContact NZ-OE1 2.77Å; K307-E310 IonicContact NZ-OE2 2.66Å; K307-E310 PolarHBondContact NZ-OE2 3.29Å; K307-E310 PolarHBondContact O-N 2.71Å
308	I	54.3	Low	62.8	Low	105 Å²	105	100.7 Å²	100.7	54%	0.538	55%	0.554	S	S	.	*	H	α-helix	trans	-56.5	-33.8	174.6	-65.5	166	0	0	0	106.8	P306 E310 F311 T312	P306-I308 HydrophobicContact CB-CG1 4.32Å; P306-I308 HydrophobicContact CG-CD1 4.17Å; P306-I308 HydrophobicContact CG-CG1 3.97Å; P306-I308 WeakPolarHBondContact O-CG1 3.3Å; P306-I308 PolarHBondContact O-N 3.31Å; I308-E310 PolarHBondContact O-N 3.31Å; I308-F311 CarbonylContact O-C 3.55Å; I308-F311 PolarHBondContact O-N 3.4Å; I308-T312 HydrophobicContact CG2-CG2 3.58Å; I308-T312 WeakPolarHBondContact O-CG2 3.49Å; I308-T312 PolarHBondContact O-N 3.19Å; I308-T312 PolarHBondContact O-OG1 3.16Å
309	S	48.9	Very low	63.9	Low	59 Å²	59	99 Å²	99	41%	0.413	54%	0.537	S	S	.	.	H	α-helix	trans	-52.5	-41.5	173.1	60.3	0	0	0	0	114.7	K307 F311 T312 E313	K307-S309 PolarHBondContact O-N 3.4Å; S309-F311 VanDerWaalsContact C-N 3.28Å; S309-F311 PolarHBondContact O-N 3.5Å; S309-T312 WeakPolarHBondContact CA-OG1 3.46Å; S309-E313 VanDerWaalsContact O-CB 3.28Å; S309-E313 WeakPolarHBondContact O-CB 3.41Å; S309-E313 WeakPolarHBondContact O-CG 3.41Å; S309-E313 PolarHBondContact O-N 2.97Å
310	E	52.6	Low	64.8	Low	126 Å²	126	100.5 Å²	100.5	59%	0.589	54%	0.539	S	S	*	.	H	α-helix	trans	-73.2	-20.5	179.8	-81.6	176.3	-172.9	0	0	112.7	K307 I308	K307-E310 HydrophobicContact CB-CB 4.27Å; K307-E310 HydrophobicContact CB-CG 4.41Å; K307-E310 HydrophobicContact CD-CG 4.12Å; K307-E310 WeakPolarHBondContact CD-OE1 3.42Å; K307-E310 WeakPolarHBondContact CD-OE2 3.44Å; K307-E310 VanDerWaalsContact NZ-CD 3.29Å; K307-E310 IonicContact NZ-OE1 2.67Å; K307-E310 PolarHBondContact NZ-OE1 2.77Å; K307-E310 IonicContact NZ-OE2 2.66Å; K307-E310 PolarHBondContact NZ-OE2 3.29Å; K307-E310 PolarHBondContact O-N 2.71Å; I308-E310 PolarHBondContact O-N 3.31Å
311	F	51.4	Low	65.8	Low	177 Å²	177	105.9 Å²	105.9	78%	0.776	56%	0.557	S	S	*	*	H	α-helix	trans	-99.4	-19.1	176.6	-112.1	-85.4	0	0	0	113.7	I308 S309 S314	I308-F311 CarbonylContact O-C 3.55Å; I308-F311 PolarHBondContact O-N 3.4Å; S309-F311 VanDerWaalsContact C-N 3.28Å; S309-F311 PolarHBondContact O-N 3.5Å; F311-S314 PolarHBondContact O-OG 3.3Å
312	T	51.6	Low	66.8	Low	95 Å²	95	108 Å²	108	58%	0.583	56%	0.563	S	S	*	*	H	α-helix	trans	-94.9	-20.6	176.6	54.6	0	0	0	0	113	I308 S309 S314	I308-T312 HydrophobicContact CG2-CG2 3.58Å; I308-T312 WeakPolarHBondContact O-CG2 3.49Å; I308-T312 PolarHBondContact O-N 3.19Å; I308-T312 PolarHBondContact O-OG1 3.16Å; S309-T312 WeakPolarHBondContact CA-OG1 3.46Å; T312-S314 VanDerWaalsContact C-N 3.32Å
313	E	53.8	Low	67.9	Low	158 Å²	158	105.9 Å²	105.9	74%	0.738	54%	0.542	S	S	*	.	S	Bend	trans	-83.5	-6	173.1	-72.6	178.2	-179.6	0	0	113.3	S309 T315	S309-E313 VanDerWaalsContact O-CB 3.28Å; S309-E313 WeakPolarHBondContact O-CB 3.41Å; S309-E313 WeakPolarHBondContact O-CG 3.41Å; S309-E313 PolarHBondContact O-N 2.97Å; E313-T315 PolarHBondContact O-N 3.19Å
314	S	57.6	Low	68.7	Low	69 Å²	69	103.4 Å²	103.4	48%	0.483	54%	0.536	S	S	.	.	S	Bend	trans	-66.7	106.8	161.9	57.5	0	0	0	0	107.8	F311 T312 V316	F311-S314 PolarHBondContact O-OG 3.3Å; T312-S314 VanDerWaalsContact C-N 3.32Å; S314-V316 PolarHBondContact O-N 2.89Å; S314-V316 VanDerWaalsContact O-N 3.15Å
315	T	70.4	Confident	69.9	Low	124 Å²	124	106.2 Å²	106.2	76%	0.761	55%	0.554	S	S	*	*			trans	-31.7	118.5	173	51.4	0	0	0	0	110.2	E313 P317	E313-T315 PolarHBondContact O-N 3.19Å; T315-P317 WeakPolarHBondContact O-CD 3.27Å
316	V	77.1	Confident	71	Confident	134 Å²	134	106.2 Å²	106.2	81%	0.812	55%	0.548	S	S	*	.			trans	-46.5	113.8	174	177.7	0	0	0	0	106.9	S314 K318	S314-V316 PolarHBondContact O-N 2.89Å; S314-V316 VanDerWaalsContact O-N 3.15Å; V316-K318 PolarHBondContact O-N 3.2Å
317	P	80.5	Confident	72.2	Confident	88 Å²	88	103 Å²	103	57%	0.571	53%	0.526	S	S	*	.			trans	-55.6	138.5	-178.7	-26.6	35.6	0	0	0	109	T315 I319	T315-P317 WeakPolarHBondContact O-CD 3.27Å; P317-I319 WeakPolarHBondContact CB-O 3.26Å; P317-I319 PolarHBondContact O-N 3.27Å; P317-I319 VanDerWaalsContact O-N 3.12Å
318	K	83.1	Confident	73.2	Confident	185 Å²	185	101.1 Å²	101.1	80%	0.804	53%	0.527	S	S	*	.	S	Bend	trans	-56.5	-30.6	179.8	-71.7	-176.4	178.3	-179.9	0	112.4	V316 Y332	V316-K318 PolarHBondContact O-N 3.2Å; K318-Y332 WeakPolarHBondContact O-CD2 3.32Å; K318-Y332 WeakPolarHBondContact O-CE2 3.09Å
319	I	85.9	Confident	74.2	Confident	25 Å²	25	97.8 Å²	97.8	13%	0.128	52%	0.518	C	S	.	.	S	Bend	trans	-135.4	135.6	175.2	-68.1	-179	0	0	0	107.8	P317 D323 L327 G329 E330 Y332	P317-I319 WeakPolarHBondContact CB-O 3.26Å; P317-I319 PolarHBondContact O-N 3.27Å; P317-I319 VanDerWaalsContact O-N 3.12Å; I319-D323 HydrophobicContact CG2-CB 3.64Å; I319-L327 HydrophobicContact CD1-CD1 3.85Å; I319-L327 HydrophobicContact CG1-CD1 4.35Å; I319-L327 HydrophobicContact CG2-CD1 4.05Å; I319-G329 VanDerWaalsContact CD1-O 3.28Å; I319-G329 WeakPolarHBondContact CD1-O 3.37Å; I319-E330 WeakPolarHBondContact CD1-O 3.31Å; I319-Y332 HydrophobicContact CB-CE2 4.37Å; I319-Y332 HydrophobicContact CG1-CD2 4.18Å; I319-Y332 HydrophobicContact CG1-CE2 3.92Å
320	E	89	Confident	75.6	Confident	99 Å²	99	103.5 Å²	103.5	46%	0.463	54%	0.539	S	S	.	.			trans	-72.1	147.8	173.3	-61.4	-166.7	-162.5	0	0	111.4	W322 D323 S324 Y332	E320-W322 HydrophobicContact CB-CZ2 4.46Å; E320-W322 PolarHBondContact O-N 3.04Å; E320-W322 PolarHBondContact OE2-NE1 3.43Å; E320-D323 WeakPolarHBondContact O-CB 3.33Å; E320-D323 PolarHBondContact O-N 3.27Å; E320-S324 PolarHBondContact O-N 2.73Å; E320-S324 VanDerWaalsContact O-N 3.09Å; E320-Y332 PolarHBondContact N-OH 3.05Å; E320-Y332 VanDerWaalsContact N-OH 3.12Å
321	W	87.8	Confident	76.9	Confident	210 Å²	210	99.9 Å²	99.9	80%	0.795	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.2	-172.4	63.8	-88.3	0	0	0	114.9	S324	W321-S324 PolarHBondContact O-OG 3.09Å
322	W	87.9	Confident	78.4	Confident	130 Å²	130	96.6 Å²	96.6	49%	0.492	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-32	176.2	55.3	-87.4	0	0	0	111.6	E320	E320-W322 HydrophobicContact CB-CZ2 4.46Å; E320-W322 PolarHBondContact O-N 3.04Å; E320-W322 PolarHBondContact OE2-NE1 3.43Å
323	D	86.8	Confident	79.8	Confident	26 Å²	26	99.2 Å²	99.2	14%	0.139	52%	0.521	C	S	.	.	G	3₁₀ helix	trans	-71	-35.5	174.1	-77.9	-43.5	0	0	0	112.2	I319 E320 V325 V326 L327 Y332	I319-D323 HydrophobicContact CG2-CB 3.64Å; E320-D323 WeakPolarHBondContact O-CB 3.33Å; E320-D323 PolarHBondContact O-N 3.27Å; D323-V325 PolarHBondContact O-N 3.03Å; D323-V326 PolarHBondContact O-N 3.23Å; D323-L327 HydrophobicContact CB-CD1 3.92Å; D323-L327 WeakPolarHBondContact O-CG 3.24Å; D323-L327 PolarHBondContact O-N 3.47Å; D323-Y332 HydrophobicContact CB-CE1 4.04Å; D323-Y332 WeakPolarHBondContact OD2-CE1 3.34Å; D323-Y332 PolarHBondContact OD2-OH 3.24Å
324	S	85.4	Confident	80.8	Confident	70 Å²	70	93.3 Å²	93.3	49%	0.49	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-60.3	-19.7	-178.8	62.9	0	0	0	0	114.3	E320 W321	E320-S324 PolarHBondContact O-N 2.73Å; E320-S324 VanDerWaalsContact O-N 3.09Å; W321-S324 PolarHBondContact O-OG 3.09Å
325	V	85.8	Confident	81.7	Confident	83 Å²	83	94.1 Å²	94.1	50%	0.503	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-81.9	-28.4	177.5	-178	0	0	0	0	111.1	D323 M343	D323-V325 PolarHBondContact O-N 3.03Å; V325-M343 HydrophobicContact CG1-CE 3.33Å; V325-M343 HydrophobicContact CG1-SD 3.74Å
326	V	85	Confident	82	Confident	48 Å²	48	96 Å²	96	29%	0.291	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-35.8	-174.8	-179.3	0	0	0	0	111.3	D323 F341 V344	D323-V326 PolarHBondContact O-N 3.23Å; V326-F341 HydrophobicContact CG1-CD1 3.86Å; V326-V344 HydrophobicContact CG1-CG2 3.8Å
327	L	82.7	Confident	81.8	Confident	23 Å²	23	92.6 Å²	92.6	12%	0.12	48%	0.484	C	S	.	.			trans	-79.7	133	-179.3	-66.3	169.5	0	0	0	111.1	I319 D323 G329 Y332 I334 F341	I319-L327 HydrophobicContact CD1-CD1 3.85Å; I319-L327 HydrophobicContact CG1-CD1 4.35Å; I319-L327 HydrophobicContact CG2-CD1 4.05Å; D323-L327 HydrophobicContact CB-CD1 3.92Å; D323-L327 WeakPolarHBondContact O-CG 3.24Å; D323-L327 PolarHBondContact O-N 3.47Å; L327-G329 PolarHBondContact O-N 3.43Å; L327-Y332 HydrophobicContact CD1-CD1 3.72Å; L327-Y332 HydrophobicContact CD1-CE1 3.71Å; L327-I334 HydrophobicContact CB-CD1 4.1Å; L327-I334 HydrophobicContact CD2-CD1 3.7Å; L327-I334 HydrophobicContact CG-CD1 4.45Å; L327-F341 HydrophobicContact CD2-CE1 3.81Å
328	P	78.8	Confident	81.3	Confident	90 Å²	90	94.1 Å²	94.1	58%	0.584	49%	0.494	S	S	*	.	S	Bend	trans	-74.9	-6.9	174.1	28.5	-34.4	0	0	0	113.9	I334 S340	P328-I334 HydrophobicContact CG-CD1 3.92Å; P328-I334 HydrophobicContact CG-CG2 4.44Å; P328-S340 WeakPolarHBondContact CD-O 3.44Å; P328-S340 WeakPolarHBondContact CG-O 3.29Å
329	G	76.3	Confident	80.8	Confident	34 Å²	34	94 Å²	94	35%	0.351	50%	0.496	S	S	.	.	S	Bend	trans	-136.8	174.1	-174.1	0	0	0	0	0	114.6	I319 L327	I319-G329 VanDerWaalsContact CD1-O 3.28Å; I319-G329 WeakPolarHBondContact CD1-O 3.37Å; L327-G329 PolarHBondContact O-N 3.43Å
330	E	77.5	Confident	80.2	Confident	179 Å²	179	94 Å²	94	84%	0.836	50%	0.498	S	S	*	.	S	Bend	trans	-90.1	7.5	-178.1	-62.8	-173.5	174.5	0	0	114.3	I319	I319-E330 WeakPolarHBondContact CD1-O 3.31Å
331	S	80.6	Confident	79.7	Confident	51 Å²	51	91.5 Å²	91.5	36%	0.357	49%	0.486	S	S	.	.	S	Bend	trans	-127.9	154.7	171.3	-167.9	0	0	0	0	111.3	D333 I334	S331-D333 PolarHBondContact O-N 3.19Å; S331-D333 PolarHBondContact OG-N 3.25Å; S331-D333 PolarHBondContact OG-OD2 2.8Å; S331-I334 WeakPolarHBondContact O-CG1 3.31Å
332	Y	83.4	Confident	79.2	Confident	108 Å²	108	86.8 Å²	86.8	42%	0.424	48%	0.482	S	S	.	.	S	Bend	trans	-73.4	-5.4	168.4	-71.7	-73.3	0	0	0	113	K318 I319 E320 D323 L327 I334	K318-Y332 WeakPolarHBondContact O-CD2 3.32Å; K318-Y332 WeakPolarHBondContact O-CE2 3.09Å; I319-Y332 HydrophobicContact CB-CE2 4.37Å; I319-Y332 HydrophobicContact CG1-CD2 4.18Å; I319-Y332 HydrophobicContact CG1-CE2 3.92Å; E320-Y332 PolarHBondContact N-OH 3.05Å; E320-Y332 VanDerWaalsContact N-OH 3.12Å; D323-Y332 HydrophobicContact CB-CE1 4.04Å; D323-Y332 WeakPolarHBondContact OD2-CE1 3.34Å; D323-Y332 PolarHBondContact OD2-OH 3.24Å; L327-Y332 HydrophobicContact CD1-CD1 3.72Å; L327-Y332 HydrophobicContact CD1-CE1 3.71Å; Y332-I334 PolarHBondContact O-N 2.87Å
333	D	81.4	Confident	78.9	Confident	149 Å²	149	86.1 Å²	86.1	80%	0.797	49%	0.486	S	S	*	.			trans	-78.1	59.7	179.6	-55.2	-47.5	0	0	0	112.3	S331	S331-D333 PolarHBondContact O-N 3.19Å; S331-D333 PolarHBondContact OG-N 3.25Å; S331-D333 PolarHBondContact OG-OD2 2.8Å
334	I	74.6	Confident	78.7	Confident	34 Å²	34	89.5 Å²	89.5	17%	0.174	51%	0.508	C	S	.	.			trans	-116.1	136.9	179.7	-48.7	-176.7	0	0	0	108.7	L327 P328 S331 Y332 L336	L327-I334 HydrophobicContact CB-CD1 4.1Å; L327-I334 HydrophobicContact CD2-CD1 3.7Å; L327-I334 HydrophobicContact CG-CD1 4.45Å; P328-I334 HydrophobicContact CG-CD1 3.92Å; P328-I334 HydrophobicContact CG-CG2 4.44Å; S331-I334 WeakPolarHBondContact O-CG1 3.31Å; Y332-I334 PolarHBondContact O-N 2.87Å; I334-L336 PolarHBondContact O-N 2.89Å
335	P	76.6	Confident	78.7	Confident	87 Å²	87	91 Å²	91	57%	0.565	51%	0.51	S	S	*	.			trans	-54.3	133.6	174.3	-24.6	33.7	0	0	0	111.7	C337 S340	P335-C337 PolarHBondContact O-N 2.76Å; P335-S340 VanDerWaalsContact O-CB 3.31Å; P335-S340 WeakPolarHBondContact O-CB 3.22Å; P335-S340 PolarHBondContact O-OG 3.03Å; P335-S340 VanDerWaalsContact O-OG 3.1Å
336	L	75.4	Confident	78.8	Confident	164 Å²	164	92.8 Å²	92.8	86%	0.859	53%	0.526	S	S	*	.			trans	-76.3	53	178.4	-74.4	152.2	0	0	0	111.8	I334	I334-L336 PolarHBondContact O-N 2.89Å
337	C	72.6	Confident	79.1	Confident	61 Å²	61	97.3 Å²	97.3	41%	0.412	55%	0.548	S	S	.	.			trans	-102.7	144.4	177.7	-65.5	0	0	0	0	109.9	P335 E339 S340 F341	P335-C337 PolarHBondContact O-N 2.76Å; C337-E339 PolarHBondContact O-N 3.01Å; C337-E339 VanDerWaalsContact O-N 3.12Å; C337-S340 VanDerWaalsContact O-CB 3.29Å; C337-S340 WeakPolarHBondContact O-CB 3.38Å; C337-S340 PolarHBondContact O-N 3.35Å; C337-F341 WeakPolarHBondContact O-CD2 3.39Å
338	P	70.2	Confident	79.5	Confident	121 Å²	121	103.1 Å²	103.1	79%	0.786	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-54.3	-32.7	177.3	-26.7	34.6	0	0	0	113.7	S340 F341	P338-S340 PolarHBondContact O-N 3.37Å; P338-F341 PolarHBondContact O-N 3.32Å
339	E	73.4	Confident	80	Confident	182 Å²	182	106.8 Å²	106.8	85%	0.85	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-67	-23.1	177.9	-62.9	175.9	178	0	0	113.3	C337 F341	C337-E339 PolarHBondContact O-N 3.01Å; C337-E339 VanDerWaalsContact O-N 3.12Å; E339-F341 PolarHBondContact O-N 3.45Å
340	S	73	Confident	80.8	Confident	25 Å²	25	113 Å²	113	18%	0.175	61%	0.607	C	S	.	*	G	3₁₀ helix	trans	-77	-10.8	-179.1	-55.5	0	0	0	0	113.1	P328 P335 C337 P338 P342	P328-S340 WeakPolarHBondContact CD-O 3.44Å; P328-S340 WeakPolarHBondContact CG-O 3.29Å; P335-S340 VanDerWaalsContact O-CB 3.31Å; P335-S340 WeakPolarHBondContact O-CB 3.22Å; P335-S340 PolarHBondContact O-OG 3.03Å; P335-S340 VanDerWaalsContact O-OG 3.1Å; C337-S340 VanDerWaalsContact O-CB 3.29Å; C337-S340 WeakPolarHBondContact O-CB 3.38Å; C337-S340 PolarHBondContact O-N 3.35Å; P338-S340 PolarHBondContact O-N 3.37Å; S340-P342 VanDerWaalsContact C-CD 3.49Å; S340-P342 WeakPolarHBondContact O-CD 3.18Å
341	F	79.1	Confident	81.5	Confident	47 Å²	47	109.1 Å²	109.1	21%	0.206	60%	0.597	C	S	.	*			trans	-124.6	67	-178	-56.7	-75.6	0	0	0	111.4	V326 L327 C337 P338 E339 M343 V344	V326-F341 HydrophobicContact CG1-CD1 3.86Å; L327-F341 HydrophobicContact CD2-CE1 3.81Å; C337-F341 WeakPolarHBondContact O-CD2 3.39Å; P338-F341 PolarHBondContact O-N 3.32Å; E339-F341 PolarHBondContact O-N 3.45Å; F341-M343 PolarHBondContact O-N 2.99Å; F341-V344 HydrophobicContact CB-CB 4.23Å; F341-V344 HydrophobicContact CB-CG2 3.96Å; F341-V344 PolarHBondContact O-N 3.21Å
342	P	77.1	Confident	82	Confident	111 Å²	111	112.9 Å²	112.9	72%	0.721	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-20.9	-172.8	25.7	-35.5	0	0	0	113.8	S340	S340-P342 VanDerWaalsContact C-CD 3.49Å; S340-P342 WeakPolarHBondContact O-CD 3.18Å
343	M	80.5	Confident	82.4	Confident	115 Å²	115	116.9 Å²	116.9	57%	0.567	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-19.7	179.6	-172.2	155.2	156.6	0	0	113.2	V325 F341 N345	V325-M343 HydrophobicContact CG1-CE 3.33Å; V325-M343 HydrophobicContact CG1-SD 3.74Å; F341-M343 PolarHBondContact O-N 2.99Å; M343-N345 PolarHBondContact O-N 2.66Å
344	V	83.8	Confident	82.7	Confident	98 Å²	98	117.3 Å²	117.3	59%	0.594	64%	0.641	S	S	*	*			trans	-84.8	111.1	179.1	-177.2	0	0	0	0	108.9	V326 F341	V326-V344 HydrophobicContact CG1-CG2 3.8Å; F341-V344 HydrophobicContact CB-CB 4.23Å; F341-V344 HydrophobicContact CB-CG2 3.96Å; F341-V344 PolarHBondContact O-N 3.21Å
345	N	84	Confident	83.2	Confident	101 Å²	101	124.2 Å²	124.2	54%	0.54	67%	0.665	S	S	.	*			trans	-124.8	177.7	177.3	64.2	27.6	0	0	0	111	M343 L347	M343-N345 PolarHBondContact O-N 2.66Å; N345-L347 PolarHBondContact O-N 3.39Å; N345-L347 VanDerWaalsContact OD1-CB 3.27Å; N345-L347 WeakPolarHBondContact OD1-CB 3.45Å; N345-L347 PolarHBondContact OD1-N 2.93Å
346	S	89.4	Confident	83.6	Confident	121 Å²	121	122.7 Å²	122.7	85%	0.846	66%	0.66	S	S	*	*	S	Bend	trans	-79.2	8.4	179.4	-172.4	0	0	0	0	114
347	L	91	Very high	83.6	Confident	142 Å²	142	120 Å²	120	74%	0.743	65%	0.652	S	S	*	*			trans	-85.9	130.6	-179.1	-59	175.2	0	0	0	110.4	N345	N345-L347 PolarHBondContact O-N 3.39Å; N345-L347 VanDerWaalsContact OD1-CB 3.27Å; N345-L347 WeakPolarHBondContact OD1-CB 3.45Å; N345-L347 PolarHBondContact OD1-N 2.93Å
348	I	91.2	Very high	83.4	Confident	146 Å²	146	119 Å²	119	75%	0.749	65%	0.653	S	S	*	*			trans	-104	121.1	177.5	-59.9	171.8	0	0	0	108.8
349	E	88.7	Confident	83.1	Confident	167 Å²	167	120.1 Å²	120.1	78%	0.78	65%	0.648	S	S	*	*			trans	-79.5	135.5	173.5	-170.3	179.3	174.2	0	0	111	P351	E349-P351 WeakPolarHBondContact O-CD 3.3Å
350	H	93.1	Very high	82.5	Confident	164 Å²	164	114.2 Å²	114.2	76%	0.759	62%	0.62	S	S	*	*			trans	-103.3	98.8	167.4	-68	77	0	0	0	108
351	P	92.8	Very high	81.7	Confident	98 Å²	98	119.2 Å²	119.2	64%	0.636	64%	0.644	S	S	*	*			trans	-62.2	152.1	-174.4	25.6	-34.7	0	0	0	111.3	E349 Q353	E349-P351 WeakPolarHBondContact O-CD 3.3Å; P351-Q353 PolarHBondContact O-N 3.14Å; P351-Q353 VanDerWaalsContact O-N 3.16Å
352	V	91.7	Very high	80.7	Confident	130 Å²	130	123.3 Å²	123.3	79%	0.788	67%	0.668	S	S	*	*			trans	-56.9	121.3	-176.8	-179.7	0	0	0	0	110.7	L354	V352-L354 PolarHBondContact O-N 3.1Å
353	Q	90.5	Very high	79.6	Confident	191 Å²	191	129.2 Å²	129.2	89%	0.893	68%	0.677	S	S	*	*			trans	-68.6	103.1	176.1	-66.4	-177.5	5.5	0	0	110.3	P351	P351-Q353 PolarHBondContact O-N 3.14Å; P351-Q353 VanDerWaalsContact O-N 3.16Å
354	L	88.8	Confident	78.8	Confident	158 Å²	158	134.1 Å²	134.1	83%	0.827	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-74.1	138	172.6	-63.1	179	0	0	0	110.1	V352	V352-L354 PolarHBondContact O-N 3.1Å
355	R	85.5	Confident	78.1	Confident	180 Å²	180	135.3 Å²	135.3	68%	0.679	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-64.3	145.1	171.8	-63.6	-176.2	-173.6	-166.4	-4	110.4	N361	R355-N361 VanDerWaalsContact NH1-CG 3.3Å; R355-N361 PolarHBondContact NH1-ND2 3.37Å; R355-N361 VanDerWaalsContact NH1-ND2 3.12Å; R355-N361 PolarHBondContact NH1-OD1 3.02Å
356	A	84.2	Confident	78	Confident	55 Å²	55	137.5 Å²	137.5	46%	0.455	71%	0.711	S	S	.	*	P	Polyproline II helix	trans	-59.9	134.7	176.9	0	0	0	0	0	110.4	G358 E359	A356-G358 PolarHBondContact O-N 3.42Å; A356-E359 HydrophobicContact CB-CB 4.17Å; A356-E359 PolarHBondContact O-N 3.4Å
357	P	74.5	Confident	77.9	Confident	107 Å²	107	139.6 Å²	139.6	70%	0.695	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-0.2	-170.4	25.4	-34.7	0	0	0	115.3	K561	P357-K561 HydrophobicContact CB-CD 4.18Å; P357-K561 HydrophobicContact CB-CG 4.44Å
358	G	68.4	Low	78	Confident	41 Å²	41	139 Å²	139	42%	0.423	71%	0.706	S	S	.	*	T	Hydrogen-bonded Turn	trans	-130.7	15.9	176	0	0	0	0	0	113.6	A356 H360	A356-G358 PolarHBondContact O-N 3.42Å; G358-H360 PolarHBondContact O-CE1 3.18Å; G358-H360 PolarHBondContact O-N 2.68Å; G358-H360 PolarHBondContact O-ND1 2.82Å; G358-H360 PolarHBondContact O-NE2 2.96Å
359	E	64	Low	78.2	Confident	144 Å²	144	141.1 Å²	141.1	67%	0.673	71%	0.706	S	S	*	*			trans	-88.5	107.8	176.3	-163.9	169	-160.3	0	0	109.9	A356 N361	A356-E359 HydrophobicContact CB-CB 4.17Å; A356-E359 PolarHBondContact O-N 3.4Å; E359-N361 PolarHBondContact O-N 3.16Å
360	H	62	Low	78.5	Confident	58 Å²	58	136.8 Å²	136.8	27%	0.269	69%	0.688	S	S	.	*			trans	-74.7	123.3	-179.2	-47.5	93.4	0	0	0	109.9	G358 D362 I468 V469	G358-H360 PolarHBondContact O-CE1 3.18Å; G358-H360 PolarHBondContact O-N 2.68Å; G358-H360 PolarHBondContact O-ND1 2.82Å; G358-H360 PolarHBondContact O-NE2 2.96Å; H360-D362 PolarHBondContact O-N 2.83Å; H360-D362 VanDerWaalsContact O-N 3.15Å; H360-I468 PolarHBondContact CD2-O 2.77Å; H360-I468 PolarHBondContact NE2-O 3.26Å; H360-V469 VanDerWaalsContact CE1-CA 3.47Å; H360-V469 WeakPolarHBondContact CE1-CA 3.44Å; H360-V469 WeakPolarHBondContact NE2-CA 3.37Å; H360-V469 PolarHBondContact NE2-O 3.08Å
361	N	55.4	Low	78.7	Confident	129 Å²	129	132.7 Å²	132.7	69%	0.69	68%	0.675	S	S	*	*	S	Bend	trans	-59.4	-22	174.4	-112.4	-1.4	0	0	0	113	R355 E359 R363	R355-N361 VanDerWaalsContact NH1-CG 3.3Å; R355-N361 PolarHBondContact NH1-ND2 3.37Å; R355-N361 VanDerWaalsContact NH1-ND2 3.12Å; R355-N361 PolarHBondContact NH1-OD1 3.02Å; E359-N361 PolarHBondContact O-N 3.16Å; N361-R363 PolarHBondContact O-N 3.39Å
362	D	57.8	Low	79	Confident	133 Å²	133	136 Å²	136	71%	0.711	68%	0.679	S	S	*	*	S	Bend	trans	-76.3	94.7	174.5	-84.3	-11.9	0	0	0	109.5	H360 R364	H360-D362 PolarHBondContact O-N 2.83Å; H360-D362 VanDerWaalsContact O-N 3.15Å; D362-R364 PolarHBondContact O-N 3.3Å
363	R	54.7	Low	79.3	Confident	236 Å²	236	138.6 Å²	138.6	89%	0.891	68%	0.68	S	S	*	*			trans	-28	106.8	160.3	-67.9	176.7	171.2	-179.7	-3.2	108.7	N361 C365	N361-R363 PolarHBondContact O-N 3.39Å; R363-C365 VanDerWaalsContact C-N 3.33Å; R363-C365 PolarHBondContact O-N 3.19Å
364	R	63.6	Low	79.6	Confident	218 Å²	218	133.9 Å²	133.9	82%	0.823	66%	0.658	S	S	*	*			trans	-51.2	99.7	180	-65.8	174.9	-177.2	170	2	107.8	D362 L366	D362-R364 PolarHBondContact O-N 3.3Å; R364-L366 PolarHBondContact O-N 2.88Å
365	C	68.6	Low	80	Confident	122 Å²	122	130.4 Å²	130.4	82%	0.824	64%	0.638	S	S	*	*			trans	-65.1	103.8	177	-176.5	0	0	0	0	106.2	R363 K367	R363-C365 VanDerWaalsContact C-N 3.33Å; R363-C365 PolarHBondContact O-N 3.19Å; C365-K367 PolarHBondContact O-N 2.97Å
366	L	82.7	Confident	80.6	Confident	148 Å²	148	127 Å²	127	78%	0.775	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-60.9	125.1	-179.9	-68.2	174.6	0	0	0	107.6	R364 V368	R364-L366 PolarHBondContact O-N 2.88Å; L366-V368 PolarHBondContact O-N 3.19Å
367	K	86.8	Confident	81.3	Confident	165 Å²	165	130.9 Å²	130.9	72%	0.717	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-64.8	122.3	177.3	-67.1	178.7	-176.9	172.2	0	108.4	C365 Y369	C365-K367 PolarHBondContact O-N 2.97Å; K367-Y369 HydrophobicContact CB-CE2 4.12Å; K367-Y369 VanDerWaalsContact O-CD2 3.24Å; K367-Y369 WeakPolarHBondContact O-CD2 3.25Å; K367-Y369 WeakPolarHBondContact O-CE2 3.39Å; K367-Y369 PolarHBondContact O-N 3.06Å
368	V	92.3	Very high	82.4	Confident	128 Å²	128	129.5 Å²	129.5	78%	0.776	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-73.7	120.7	175.3	-178.8	0	0	0	0	109.1	L366	L366-V368 PolarHBondContact O-N 3.19Å
369	Y	95.1	Very high	83.8	Confident	191 Å²	191	134 Å²	134	75%	0.749	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-102.7	137.4	171.8	-60.9	-80.8	0	0	0	109.5	K367	K367-Y369 HydrophobicContact CB-CE2 4.12Å; K367-Y369 VanDerWaalsContact O-CD2 3.24Å; K367-Y369 WeakPolarHBondContact O-CD2 3.25Å; K367-Y369 WeakPolarHBondContact O-CE2 3.39Å; K367-Y369 PolarHBondContact O-N 3.06Å
370	L	95.8	Very high	85.4	Confident	77 Å²	77	134.5 Å²	134.5	40%	0.403	62%	0.62	S	S	.	*			trans	-110	138	177.8	-63.6	167.7	0	0	0	109.3	E374 Q375 L378	L370-E374 HydrophobicContact CB-CB 4.26Å; L370-E374 HydrophobicContact CD2-CB 4.29Å; L370-Q375 HydrophobicContact CB-CG 3.77Å; L370-Q375 PolarHBondContact O-NE2 2.89Å; L370-L378 HydrophobicContact CD1-CD2 4.1Å
371	T	97.6	Very high	87	Confident	78 Å²	78	136.8 Å²	136.8	48%	0.479	63%	0.631	S	S	.	*			trans	-63.8	160.2	170.3	66.5	0	0	0	0	111	K373 E374 Q375	T371-K373 PolarHBondContact O-N 3.4Å; T371-E374 WeakPolarHBondContact CB-OE2 3.48Å; T371-E374 WeakPolarHBondContact CG2-OE2 3.31Å; T371-E374 PolarHBondContact N-OE2 3Å; T371-E374 PolarHBondContact O-N 3.29Å; T371-E374 VanDerWaalsContact OG1-CG 3.26Å; T371-E374 WeakPolarHBondContact OG1-CG 3.39Å; T371-E374 PolarHBondContact OG1-N 3.04Å; T371-E374 PolarHBondContact OG1-OE2 2.85Å; T371-Q375 VanDerWaalsContact O-CG 3.31Å; T371-Q375 WeakPolarHBondContact O-CG 3.26Å; T371-Q375 PolarHBondContact O-N 2.85Å
372	K	98.2	Very high	89.1	Confident	168 Å²	168	134.4 Å²	134.4	73%	0.73	62%	0.618	S	S	*	*	H	α-helix	trans	-60.3	-32.4	177.2	-63.7	-63	-178.5	-177	0	112.7	K376	K372-K376 WeakPolarHBondContact O-CB 3.3Å; K372-K376 PolarHBondContact O-N 2.93Å
373	K	98.2	Very high	91	Very high	184 Å²	184	134.6 Å²	134.6	80%	0.8	61%	0.609	S	S	*	*	H	α-helix	trans	-66.5	-46.3	175.8	-71	-175.1	-178.9	177.9	0	110.9	T371 K376 K377	T371-K373 PolarHBondContact O-N 3.4Å; K373-K376 PolarHBondContact O-N 3.48Å; K373-K377 PolarHBondContact O-N 2.87Å
374	E	97.6	Very high	93	Very high	92 Å²	92	128.8 Å²	128.8	43%	0.43	59%	0.591	S	S	.	*	H	α-helix	trans	-65.5	-44	176.4	-70	160.5	157.2	0	0	111.9	L370 T371 K376 K377 L378	L370-E374 HydrophobicContact CB-CB 4.26Å; L370-E374 HydrophobicContact CD2-CB 4.29Å; T371-E374 WeakPolarHBondContact CB-OE2 3.48Å; T371-E374 WeakPolarHBondContact CG2-OE2 3.31Å; T371-E374 PolarHBondContact N-OE2 3Å; T371-E374 PolarHBondContact O-N 3.29Å; T371-E374 VanDerWaalsContact OG1-CG 3.26Å; T371-E374 WeakPolarHBondContact OG1-CG 3.39Å; T371-E374 PolarHBondContact OG1-N 3.04Å; T371-E374 PolarHBondContact OG1-OE2 2.85Å; E374-K376 VanDerWaalsContact C-N 3.26Å; E374-K376 PolarHBondContact O-N 2.73Å; E374-K377 PolarHBondContact O-N 2.81Å; E374-K377 VanDerWaalsContact O-N 3.1Å; E374-L378 WeakPolarHBondContact O-CB 3.37Å; E374-L378 PolarHBondContact O-N 2.98Å
375	Q	97.4	Very high	94.6	Very high	85 Å²	85	123.7 Å²	123.7	40%	0.397	58%	0.576	S	S	.	*	H	α-helix	trans	-56	-42.3	174.1	-70.3	176	12.8	0	0	111.3	L370 T371 R379	L370-Q375 HydrophobicContact CB-CG 3.77Å; L370-Q375 PolarHBondContact O-NE2 2.89Å; T371-Q375 VanDerWaalsContact O-CG 3.31Å; T371-Q375 WeakPolarHBondContact O-CG 3.26Å; T371-Q375 PolarHBondContact O-N 2.85Å; Q375-R379 VanDerWaalsContact O-CB 3.27Å; Q375-R379 WeakPolarHBondContact O-CB 3.21Å; Q375-R379 PolarHBondContact O-N 3.29Å
376	K	97.8	Very high	96	Very high	109 Å²	109	123.7 Å²	123.7	47%	0.474	57%	0.565	S	S	.	*	H	α-helix	trans	-69.3	-39.4	177	-167.9	176.6	-176.4	-179.2	0	111.8	K372 K373 E374 R380	K372-K376 WeakPolarHBondContact O-CB 3.3Å; K372-K376 PolarHBondContact O-N 2.93Å; K373-K376 PolarHBondContact O-N 3.48Å; E374-K376 VanDerWaalsContact C-N 3.26Å; E374-K376 PolarHBondContact O-N 2.73Å; K376-R380 VanDerWaalsContact CE-NH2 3.34Å; K376-R380 WeakPolarHBondContact O-CB 3.45Å; K376-R380 VanDerWaalsContact O-CG 3.23Å; K376-R380 WeakPolarHBondContact O-CG 3.11Å; K376-R380 PolarHBondContact O-N 3.3Å
377	K	98.1	Very high	96.6	Very high	135 Å²	135	122.6 Å²	122.6	59%	0.587	56%	0.556	S	S	*	*	H	α-helix	trans	-63	-51.3	176.3	-173	178.6	179.2	-177.1	0	110.8	K373 E374 R379 R380 Q381	K373-K377 PolarHBondContact O-N 2.87Å; E374-K377 PolarHBondContact O-N 2.81Å; E374-K377 VanDerWaalsContact O-N 3.1Å; K377-R379 PolarHBondContact O-N 2.96Å; K377-R380 WeakPolarHBondContact O-CB 3.46Å; K377-R380 PolarHBondContact O-N 2.83Å; K377-R380 VanDerWaalsContact O-N 3.13Å; K377-Q381 PolarHBondContact O-N 3.1Å
378	L	97.6	Very high	97.1	Very high	78 Å²	78	121.3 Å²	121.3	41%	0.408	55%	0.547	S	S	.	.	H	α-helix	trans	-58.8	-48.6	177.2	-176.2	65.3	0	0	0	111.4	L370 E374 R380 Q381 N382	L370-L378 HydrophobicContact CD1-CD2 4.1Å; E374-L378 WeakPolarHBondContact O-CB 3.37Å; E374-L378 PolarHBondContact O-N 2.98Å; L378-R380 VanDerWaalsContact C-N 3.27Å; L378-R380 PolarHBondContact O-N 3.38Å; L378-Q381 PolarHBondContact O-N 3.41Å; L378-N382 PolarHBondContact O-N 3.4Å; L378-N382 PolarHBondContact O-OD1 3.41Å
379	R	97.8	Very high	97.3	Very high	137 Å²	137	119 Å²	119	52%	0.517	53%	0.528	S	S	.	.	H	α-helix	trans	-59.3	-37.6	176.5	-164.2	-164.2	91.9	-158.7	11.7	112.4	Q375 K377 R383	Q375-R379 VanDerWaalsContact O-CB 3.27Å; Q375-R379 WeakPolarHBondContact O-CB 3.21Å; Q375-R379 PolarHBondContact O-N 3.29Å; K377-R379 PolarHBondContact O-N 2.96Å; R379-R383 VanDerWaalsContact O-CB 3.29Å; R379-R383 WeakPolarHBondContact O-CB 3.39Å; R379-R383 WeakPolarHBondContact O-CG 3.47Å; R379-R383 PolarHBondContact O-N 3.22Å; R379-R383 VanDerWaalsContact O-N 3.1Å
380	R	97.5	Very high	97.3	Very high	153 Å²	153	114.5 Å²	114.5	58%	0.577	51%	0.512	S	S	*	.	H	α-helix	trans	-69.6	-45.1	178	-79	174	174.4	-165	-4.2	111.3	K376 K377 L378 R383 K384	K376-R380 VanDerWaalsContact CE-NH2 3.34Å; K376-R380 WeakPolarHBondContact O-CB 3.45Å; K376-R380 VanDerWaalsContact O-CG 3.23Å; K376-R380 WeakPolarHBondContact O-CG 3.11Å; K376-R380 PolarHBondContact O-N 3.3Å; K377-R380 WeakPolarHBondContact O-CB 3.46Å; K377-R380 PolarHBondContact O-N 2.83Å; K377-R380 VanDerWaalsContact O-N 3.13Å; L378-R380 VanDerWaalsContact C-N 3.27Å; L378-R380 PolarHBondContact O-N 3.38Å; R380-R383 PolarHBondContact O-N 3.05Å; R380-K384 WeakPolarHBondContact O-CB 3.11Å; R380-K384 PolarHBondContact O-N 3.03Å
381	Q	97.4	Very high	97.3	Very high	106 Å²	106	115 Å²	115	50%	0.495	52%	0.518	S	S	.	.	H	α-helix	trans	-61.1	-52.9	177	-75.5	175.1	-38	0	0	110.9	K377 L378 R383 K384 E385	K377-Q381 PolarHBondContact O-N 3.1Å; L378-Q381 PolarHBondContact O-N 3.41Å; Q381-R383 VanDerWaalsContact C-N 3.28Å; Q381-R383 PolarHBondContact O-N 3.49Å; Q381-K384 WeakPolarHBondContact O-CA 3.32Å; Q381-K384 WeakPolarHBondContact O-CB 3.34Å; Q381-K384 PolarHBondContact O-N 2.97Å; Q381-E385 WeakPolarHBondContact O-CB 3.33Å; Q381-E385 PolarHBondContact O-N 2.97Å
382	N	97.9	Very high	97.2	Very high	79 Å²	79	116.8 Å²	116.8	42%	0.422	52%	0.521	S	S	.	.	H	α-helix	trans	-59.8	-37.8	178.3	-63.8	16.4	0	0	0	111.8	L378 M386	L378-N382 PolarHBondContact O-N 3.4Å; L378-N382 PolarHBondContact O-OD1 3.41Å; N382-M386 WeakPolarHBondContact O-CB 3.34Å; N382-M386 WeakPolarHBondContact O-CG 3.32Å; N382-M386 PolarHBondContact O-N 2.9Å
383	R	97.7	Very high	97.2	Very high	138 Å²	138	113 Å²	113	52%	0.521	50%	0.504	S	S	.	.	H	α-helix	trans	-67.8	-38.4	174.8	-76.8	177.8	70.7	166	-1.8	112.5	R379 R380 Q381 Q387	R379-R383 VanDerWaalsContact O-CB 3.29Å; R379-R383 WeakPolarHBondContact O-CB 3.39Å; R379-R383 WeakPolarHBondContact O-CG 3.47Å; R379-R383 PolarHBondContact O-N 3.22Å; R379-R383 VanDerWaalsContact O-N 3.1Å; R380-R383 PolarHBondContact O-N 3.05Å; Q381-R383 VanDerWaalsContact C-N 3.28Å; Q381-R383 PolarHBondContact O-N 3.49Å; R383-Q387 WeakPolarHBondContact O-CB 3.18Å; R383-Q387 VanDerWaalsContact O-CG 3.23Å; R383-Q387 WeakPolarHBondContact O-CG 3.26Å; R383-Q387 PolarHBondContact O-N 3.13Å
384	K	97.7	Very high	97.1	Very high	114 Å²	114	106.4 Å²	106.4	50%	0.496	48%	0.478	S	S	.	.	H	α-helix	trans	-66.2	-42.2	177.6	-172	-178.9	-174.7	-175.1	0	110.6	R380 Q381 Q387 R388	R380-K384 WeakPolarHBondContact O-CB 3.11Å; R380-K384 PolarHBondContact O-N 3.03Å; Q381-K384 WeakPolarHBondContact O-CA 3.32Å; Q381-K384 WeakPolarHBondContact O-CB 3.34Å; Q381-K384 PolarHBondContact O-N 2.97Å; K384-Q387 PolarHBondContact O-N 3.01Å; K384-R388 VanDerWaalsContact CE-NH2 3.29Å; K384-R388 WeakPolarHBondContact O-CB 3.47Å; K384-R388 VanDerWaalsContact O-CG 3.26Å; K384-R388 WeakPolarHBondContact O-CG 3.06Å; K384-R388 PolarHBondContact O-N 3.27Å
385	E	97.7	Very high	97	Very high	111 Å²	111	112.9 Å²	112.9	52%	0.519	50%	0.498	S	S	.	.	H	α-helix	trans	-63.9	-52.3	175.4	-173.4	171.6	-153.7	0	0	111.5	Q381 Q387 R388 E389	Q381-E385 WeakPolarHBondContact O-CB 3.33Å; Q381-E385 PolarHBondContact O-N 2.97Å; E385-Q387 PolarHBondContact O-N 2.9Å; E385-R388 WeakPolarHBondContact O-CA 3.22Å; E385-R388 WeakPolarHBondContact O-CB 3.47Å; E385-R388 PolarHBondContact O-N 3.1Å; E385-E389 PolarHBondContact O-N 3.48Å
386	M	97.2	Very high	96.9	Very high	122 Å²	122	115.3 Å²	115.3	60%	0.601	51%	0.513	S	S	*	.	H	α-helix	trans	-56.7	-35.7	174.5	-71.5	-67.3	-50.1	0	0	113.2	N382 K390	N382-M386 WeakPolarHBondContact O-CB 3.34Å; N382-M386 WeakPolarHBondContact O-CG 3.32Å; N382-M386 PolarHBondContact O-N 2.9Å; M386-K390 WeakPolarHBondContact O-CB 3.38Å; M386-K390 PolarHBondContact O-N 3.25Å
387	Q	95.6	Very high	96.7	Very high	124 Å²	124	113 Å²	113	58%	0.579	52%	0.521	S	S	*	.	H	α-helix	trans	-71	-42.6	174.8	-78.5	177.5	-33.7	0	0	111.8	R383 K384 E385 K390 T391	R383-Q387 WeakPolarHBondContact O-CB 3.18Å; R383-Q387 VanDerWaalsContact O-CG 3.23Å; R383-Q387 WeakPolarHBondContact O-CG 3.26Å; R383-Q387 PolarHBondContact O-N 3.13Å; K384-Q387 PolarHBondContact O-N 3.01Å; E385-Q387 PolarHBondContact O-N 2.9Å; Q387-K390 PolarHBondContact O-N 3.49Å; Q387-T391 WeakPolarHBondContact O-CG2 3.26Å; Q387-T391 PolarHBondContact O-N 2.94Å; Q387-T391 PolarHBondContact O-OG1 3.15Å; Q387-T391 VanDerWaalsContact O-OG1 3.13Å
388	R	96.8	Very high	96.6	Very high	138 Å²	138	112.8 Å²	112.8	52%	0.521	53%	0.525	S	S	.	.	H	α-helix	trans	-60.1	-51.2	175.9	-79.3	172.3	173.1	-173.1	-9.3	111.3	K384 E385 K390 T391 E392	K384-R388 VanDerWaalsContact CE-NH2 3.29Å; K384-R388 WeakPolarHBondContact O-CB 3.47Å; K384-R388 VanDerWaalsContact O-CG 3.26Å; K384-R388 WeakPolarHBondContact O-CG 3.06Å; K384-R388 PolarHBondContact O-N 3.27Å; E385-R388 WeakPolarHBondContact O-CA 3.22Å; E385-R388 WeakPolarHBondContact O-CB 3.47Å; E385-R388 PolarHBondContact O-N 3.1Å; R388-K390 VanDerWaalsContact C-N 3.27Å; R388-K390 PolarHBondContact O-N 2.89Å; R388-T391 VanDerWaalsContact CA-OG1 3.32Å; R388-T391 WeakPolarHBondContact CA-OG1 3.27Å; R388-T391 PolarHBondContact O-N 3.4Å; R388-T391 VanDerWaalsContact O-N 3.09Å; R388-T391 PolarHBondContact O-OG1 3.03Å; R388-E392 WeakPolarHBondContact O-CB 3.19Å; R388-E392 WeakPolarHBondContact O-CG 3.21Å; R388-E392 PolarHBondContact O-N 3.14Å
389	E	96.4	Very high	96.3	Very high	80 Å²	80	112.5 Å²	112.5	37%	0.374	52%	0.522	S	S	.	.	H	α-helix	trans	-56.5	-42.1	175.8	-72	-179.2	177.8	0	0	111.7	E385 E392 K393	E385-E389 PolarHBondContact O-N 3.48Å; E389-E392 PolarHBondContact O-N 2.9Å; E389-K393 WeakPolarHBondContact O-CB 3.39Å; E389-K393 VanDerWaalsContact O-CG 3.28Å; E389-K393 WeakPolarHBondContact O-CG 3.2Å; E389-K393 PolarHBondContact O-N 2.99Å
390	K	95.6	Very high	96.1	Very high	97 Å²	97	111.3 Å²	111.3	42%	0.422	53%	0.532	S	S	.	.	H	α-helix	trans	-65.4	-43.4	176.7	-172	176.5	-177.4	-177.6	0	112	M386 Q387 R388 E392 K393 I394	M386-K390 WeakPolarHBondContact O-CB 3.38Å; M386-K390 PolarHBondContact O-N 3.25Å; Q387-K390 PolarHBondContact O-N 3.49Å; R388-K390 VanDerWaalsContact C-N 3.27Å; R388-K390 PolarHBondContact O-N 2.89Å; K390-E392 VanDerWaalsContact C-N 3.31Å; K390-K393 PolarHBondContact O-N 2.87Å; K390-I394 HydrophobicContact CG-CD1 4.23Å; K390-I394 VanDerWaalsContact O-CG1 3.31Å; K390-I394 WeakPolarHBondContact O-CG1 3.37Å; K390-I394 PolarHBondContact O-N 3.24Å
391	T	95.2	Very high	95.9	Very high	86 Å²	86	109 Å²	109	53%	0.528	54%	0.536	S	S	.	.	H	α-helix	trans	-65.2	-36.5	176.4	49.3	0	0	0	0	112.1	Q387 R388 I394 R395	Q387-T391 WeakPolarHBondContact O-CG2 3.26Å; Q387-T391 PolarHBondContact O-N 2.94Å; Q387-T391 PolarHBondContact O-OG1 3.15Å; Q387-T391 VanDerWaalsContact O-OG1 3.13Å; R388-T391 VanDerWaalsContact CA-OG1 3.32Å; R388-T391 WeakPolarHBondContact CA-OG1 3.27Å; R388-T391 PolarHBondContact O-N 3.4Å; R388-T391 VanDerWaalsContact O-N 3.09Å; R388-T391 PolarHBondContact O-OG1 3.03Å; T391-I394 PolarHBondContact O-N 2.89Å; T391-R395 WeakPolarHBondContact O-CB 3.44Å; T391-R395 PolarHBondContact O-N 3.01Å
392	E	96.6	Very high	95.6	Very high	116 Å²	116	108.3 Å²	108.3	54%	0.542	54%	0.541	S	S	.	.	H	α-helix	trans	-67.5	-42.2	175.2	-74.5	173	-171.4	0	0	111.2	R388 E389 K390 I394 R395 L396	R388-E392 WeakPolarHBondContact O-CB 3.19Å; R388-E392 WeakPolarHBondContact O-CG 3.21Å; R388-E392 PolarHBondContact O-N 3.14Å; E389-E392 PolarHBondContact O-N 2.9Å; K390-E392 VanDerWaalsContact C-N 3.31Å; E392-I394 VanDerWaalsContact C-N 3.31Å; E392-I394 PolarHBondContact O-N 3.3Å; E392-R395 WeakPolarHBondContact O-CB 3.49Å; E392-R395 PolarHBondContact O-N 3.03Å; E392-R395 VanDerWaalsContact O-N 3.13Å; E392-L396 WeakPolarHBondContact O-CB 3.39Å; E392-L396 VanDerWaalsContact O-CG 3.28Å; E392-L396 WeakPolarHBondContact O-CG 3.49Å; E392-L396 PolarHBondContact O-N 3.2Å
393	K	97.2	Very high	95.2	Very high	88 Å²	88	111.7 Å²	111.7	38%	0.383	56%	0.555	S	S	.	*	H	α-helix	trans	-58.9	-40.6	172.4	-75.8	173.6	-178.4	179.2	0	112.9	E389 K390 G397 L398 E399	E389-K393 WeakPolarHBondContact O-CB 3.39Å; E389-K393 VanDerWaalsContact O-CG 3.28Å; E389-K393 WeakPolarHBondContact O-CG 3.2Å; E389-K393 PolarHBondContact O-N 2.99Å; K390-K393 PolarHBondContact O-N 2.87Å; K393-G397 PolarHBondContact O-N 3.06Å; K393-L398 HydrophobicContact CB-CB 4.48Å; K393-L398 HydrophobicContact CG-CD1 4.49Å; K393-L398 PolarHBondContact O-N 3.11Å; K393-E399 HydrophobicContact CB-CG 4.34Å; K393-E399 PolarHBondContact O-N 3.22Å
394	I	96.1	Very high	94.8	Very high	46 Å²	46	109.3 Å²	109.3	24%	0.236	56%	0.557	C	S	.	*	H	α-helix	trans	-67.8	-42.1	175	-65.6	164.3	0	0	0	110.3	K390 T391 E392 L396 G397 E399 P401	K390-I394 HydrophobicContact CG-CD1 4.23Å; K390-I394 VanDerWaalsContact O-CG1 3.31Å; K390-I394 WeakPolarHBondContact O-CG1 3.37Å; K390-I394 PolarHBondContact O-N 3.24Å; T391-I394 PolarHBondContact O-N 2.89Å; E392-I394 VanDerWaalsContact C-N 3.31Å; E392-I394 PolarHBondContact O-N 3.3Å; I394-L396 VanDerWaalsContact C-N 3.3Å; I394-L396 PolarHBondContact O-N 3.21Å; I394-G397 PolarHBondContact O-N 3.48Å; I394-E399 HydrophobicContact CG1-CB 4.15Å; I394-P401 HydrophobicContact CG2-CG 4.18Å
395	R	94.9	Very high	94.5	Very high	228 Å²	228	110.7 Å²	110.7	86%	0.86	56%	0.563	S	S	*	*	H	α-helix	trans	-63.5	-35.4	178.5	-173.8	175.1	-176	161.6	2.2	112.6	T391 E392 G397	T391-R395 WeakPolarHBondContact O-CB 3.44Å; T391-R395 PolarHBondContact O-N 3.01Å; E392-R395 WeakPolarHBondContact O-CB 3.49Å; E392-R395 PolarHBondContact O-N 3.03Å; E392-R395 VanDerWaalsContact O-N 3.13Å; R395-G397 VanDerWaalsContact C-N 3.26Å
396	L	96.6	Very high	94.1	Very high	136 Å²	136	105.6 Å²	105.6	71%	0.712	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-5.8	173.9	-66.9	172	0	0	0	113	E392 I394 L398	E392-L396 WeakPolarHBondContact O-CB 3.39Å; E392-L396 VanDerWaalsContact O-CG 3.28Å; E392-L396 WeakPolarHBondContact O-CG 3.49Å; E392-L396 PolarHBondContact O-N 3.2Å; I394-L396 VanDerWaalsContact C-N 3.3Å; I394-L396 PolarHBondContact O-N 3.21Å; L396-L398 VanDerWaalsContact C-N 3.32Å; L396-L398 HydrophobicContact CB-CD1 4.46Å; L396-L398 HydrophobicContact CB-CG 4.29Å; L396-L398 PolarHBondContact O-N 2.81Å
397	G	94.1	Very high	93.9	Very high	62 Å²	62	104.5 Å²	104.5	64%	0.639	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	11.6	-179.8	0	0	0	0	0	115.3	K393 I394 R395	K393-G397 PolarHBondContact O-N 3.06Å; I394-G397 PolarHBondContact O-N 3.48Å; R395-G397 VanDerWaalsContact C-N 3.26Å
398	L	94.9	Very high	93.6	Very high	129 Å²	129	102.4 Å²	102.4	68%	0.675	52%	0.523	S	S	*	.	S	Bend	trans	-75.6	-31.5	178.4	-64.6	174.3	0	0	0	112.7	K393 L396	K393-L398 HydrophobicContact CB-CB 4.48Å; K393-L398 HydrophobicContact CG-CD1 4.49Å; K393-L398 PolarHBondContact O-N 3.11Å; L396-L398 VanDerWaalsContact C-N 3.32Å; L396-L398 HydrophobicContact CB-CD1 4.46Å; L396-L398 HydrophobicContact CB-CG 4.29Å; L396-L398 PolarHBondContact O-N 2.81Å
399	E	91.9	Very high	93.3	Very high	73 Å²	73	100.6 Å²	100.6	34%	0.341	53%	0.532	S	S	.	.	S	Bend	trans	-120.6	133.2	174.5	-72.1	-173.6	-170.5	0	0	109.9	K393 I394	K393-E399 HydrophobicContact CB-CG 4.34Å; K393-E399 PolarHBondContact O-N 3.22Å; I394-E399 HydrophobicContact CG1-CB 4.15Å
400	P	93.7	Very high	92.9	Very high	111 Å²	111	98.4 Å²	98.4	72%	0.721	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-64.9	148.7	173.8	26.9	-33.6	0	0	0	110.8
401	P	93.9	Very high	92.5	Very high	104 Å²	104	94.3 Å²	94.3	68%	0.675	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-52.5	135.4	172.6	-26.5	34.6	0	0	0	111.5	I394 E403	I394-P401 HydrophobicContact CG2-CG 4.18Å; P401-E403 PolarHBondContact O-N 2.79Å
402	P	90.7	Very high	92.2	Very high	92 Å²	92	95.8 Å²	95.8	60%	0.597	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-69.2	130.4	-175.8	27.5	-34.1	0	0	0	111.6
403	E	88.1	Confident	91.9	Very high	151 Å²	151	99.1 Å²	99.1	71%	0.706	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-58.5	148.7	174.6	-68.7	174.9	-172.5	0	0	112.7	P401 K405	P401-E403 PolarHBondContact O-N 2.79Å; E403-K405 PolarHBondContact O-N 2.99Å
404	P	89.3	Confident	91.3	Very high	88 Å²	88	97.9 Å²	97.9	57%	0.571	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-61.8	135.7	179.5	26	-34.3	0	0	0	111.3	V406 V414	P404-V406 PolarHBondContact O-N 2.9Å; P404-V414 HydrophobicContact CB-CG1 4.46Å
405	K	91.1	Very high	90.8	Very high	143 Å²	143	97.3 Å²	97.3	62%	0.622	51%	0.512	S	S	*	.			trans	-74.7	88.8	-177.5	-169.5	-178.7	178.3	174.7	0	111.2	E403	E403-K405 PolarHBondContact O-N 2.99Å
406	V	90.5	Very high	90.2	Very high	3 Å²	3	88.4 Å²	88.4	2%	0.018	49%	0.487	C	S	.	.			trans	-74.8	142.9	175.7	-158	0	0	0	0	110.6	P404 V414 L415 V430 R437	P404-V406 PolarHBondContact O-N 2.9Å; V406-V414 HydrophobicContact CG2-CG1 4.21Å; V406-L415 HydrophobicContact CG1-CD1 4.27Å; V406-L415 HydrophobicContact CG2-CD1 4.24Å; V406-V430 HydrophobicContact CB-CG1 4.33Å; V406-V430 HydrophobicContact CB-CG2 3.91Å; V406-V430 HydrophobicContact CG1-CB 4.35Å; V406-V430 HydrophobicContact CG1-CG1 4.02Å; V406-V430 HydrophobicContact CG1-CG2 3.33Å; V406-R437 VanDerWaalsContact O-CZ 3.28Å; V406-R437 PolarHBondContact O-NH1 2.96Å; V406-R437 PolarHBondContact O-NH2 2.86Å
407	K	91.9	Very high	89.8	Confident	99 Å²	99	88.4 Å²	88.4	43%	0.43	49%	0.488	S	S	.	.			trans	-130	158.5	170.2	-65.7	-177.3	-179.4	-179.6	0	106.4	S409 N410 L411	K407-S409 PolarHBondContact O-N 3.3Å; K407-N410 HydrophobicContact CB-CB 4.2Å; K407-N410 CarbonylContact O-C 3.41Å; K407-N410 WeakPolarHBondContact O-CA 3.49Å; K407-N410 PolarHBondContact O-N 2.88Å; K407-L411 PolarHBondContact O-N 2.95Å
408	I	89.9	Confident	89.5	Confident	81 Å²	81	90.3 Å²	90.3	42%	0.415	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-54.5	-41.4	173.8	-62.8	164.9	0	0	0	110.1	N410 L411 V430 R431 M434	I408-N410 VanDerWaalsContact C-N 3.3Å; I408-N410 PolarHBondContact O-N 3.42Å; I408-L411 VanDerWaalsContact O-CB 3.29Å; I408-L411 WeakPolarHBondContact O-CB 3.5Å; I408-L411 PolarHBondContact O-N 3.19Å; I408-V430 HydrophobicContact CG1-CG1 4.17Å; I408-R431 HydrophobicContact CD1-CG 4.24Å; I408-M434 HydrophobicContact CD1-CE 4.39Å; I408-M434 HydrophobicContact CD1-SD 3.92Å; I408-M434 HydrophobicContact CG1-SD 3.77Å
409	S	89.9	Confident	89.2	Confident	100 Å²	100	84.3 Å²	84.3	70%	0.699	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-65.7	-25.5	174.8	68.6	0	0	0	0	115.1	K407	K407-S409 PolarHBondContact O-N 3.3Å
410	N	89.5	Confident	89.1	Confident	33 Å²	33	86.3 Å²	86.3	18%	0.176	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-99.1	-1.8	179.3	-72.7	-11.1	0	0	0	112.2	K407 I408 M412 R413 V414	K407-N410 HydrophobicContact CB-CB 4.2Å; K407-N410 CarbonylContact O-C 3.41Å; K407-N410 WeakPolarHBondContact O-CA 3.49Å; K407-N410 PolarHBondContact O-N 2.88Å; I408-N410 VanDerWaalsContact C-N 3.3Å; I408-N410 PolarHBondContact O-N 3.42Å; N410-M412 PolarHBondContact O-N 3.33Å; N410-R413 PolarHBondContact O-N 3.26Å; N410-R413 VanDerWaalsContact O-N 3.15Å; N410-R413 PolarHBondContact OD1-NH2 2.85Å; N410-R413 VanDerWaalsContact OD1-NH2 3.11Å; N410-V414 HydrophobicContact CB-CG2 4.28Å; N410-V414 WeakPolarHBondContact O-CG2 3.47Å; N410-V414 PolarHBondContact O-N 2.99Å
411	L	87.5	Confident	88.9	Confident	12 Å²	12	88.2 Å²	88.2	6%	0.063	47%	0.465	C	S	.	.	H	α-helix	trans	-58	-53.9	-170.5	170.9	63.8	0	0	0	110.9	K407 I408 R413 V414 L415 A419 M426 E427 V430	K407-L411 PolarHBondContact O-N 2.95Å; I408-L411 VanDerWaalsContact O-CB 3.29Å; I408-L411 WeakPolarHBondContact O-CB 3.5Å; I408-L411 PolarHBondContact O-N 3.19Å; L411-R413 PolarHBondContact O-N 3.26Å; L411-V414 PolarHBondContact O-N 3Å; L411-L415 HydrophobicContact CD1-CB 4.37Å; L411-L415 HydrophobicContact CD1-CD1 4.17Å; L411-L415 PolarHBondContact O-N 3.23Å; L411-A419 HydrophobicContact CD1-CB 4.41Å; L411-A419 HydrophobicContact CG-CB 4.36Å; L411-M426 HydrophobicContact CD1-CB 4.01Å; L411-E427 HydrophobicContact CD2-CB 4.41Å; L411-V430 HydrophobicContact CD1-CG2 3.44Å; L411-V430 VanDerWaalsContact CD1-CG2 3.44Å; L411-V430 HydrophobicContact CG-CG2 4.45Å
412	M	89	Confident	88.7	Confident	117 Å²	117	87.1 Å²	87.1	58%	0.576	45%	0.454	S	S	*	.	H	α-helix	trans	-64.6	-25.9	179.8	-65.4	-57.5	179.9	0	0	113.2	N410 A416 A419	N410-M412 PolarHBondContact O-N 3.33Å; M412-A416 VanDerWaalsContact O-CA 3.3Å; M412-A416 WeakPolarHBondContact O-CA 3.46Å; M412-A416 WeakPolarHBondContact O-CB 3.28Å; M412-A416 PolarHBondContact O-N 3.13Å; M412-A419 HydrophobicContact CE-CB 4.44Å; M412-A419 HydrophobicContact SD-CB 3.79Å
413	R	88.7	Confident	88.7	Confident	186 Å²	186	86.3 Å²	86.3	70%	0.702	45%	0.448	S	S	*	.	H	α-helix	trans	-81.3	-35.2	178.4	-167.9	175.3	69.1	-127.9	-6.2	112.9	N410 L411	N410-R413 PolarHBondContact O-N 3.26Å; N410-R413 VanDerWaalsContact O-N 3.15Å; N410-R413 PolarHBondContact OD1-NH2 2.85Å; N410-R413 VanDerWaalsContact OD1-NH2 3.11Å; L411-R413 PolarHBondContact O-N 3.26Å
414	V	85.4	Confident	88.9	Confident	61 Å²	61	84.4 Å²	84.4	37%	0.37	45%	0.448	S	S	.	.	H	α-helix	trans	-90.9	-35.6	-174.5	-179.7	0	0	0	0	111.7	P404 V406 N410 L411	P404-V414 HydrophobicContact CB-CG1 4.46Å; V406-V414 HydrophobicContact CG2-CG1 4.21Å; N410-V414 HydrophobicContact CB-CG2 4.28Å; N410-V414 WeakPolarHBondContact O-CG2 3.47Å; N410-V414 PolarHBondContact O-N 2.99Å; L411-V414 PolarHBondContact O-N 3Å
415	L	85	Confident	89.1	Confident	34 Å²	34	86.9 Å²	86.9	18%	0.178	45%	0.449	C	S	.	.	S	Bend	trans	-124.7	32.8	-172.3	-58.9	172.3	0	0	0	111.1	V406 L411 N417 Q418 A419 M426	V406-L415 HydrophobicContact CG1-CD1 4.27Å; V406-L415 HydrophobicContact CG2-CD1 4.24Å; L411-L415 HydrophobicContact CD1-CB 4.37Å; L411-L415 HydrophobicContact CD1-CD1 4.17Å; L411-L415 PolarHBondContact O-N 3.23Å; L415-N417 PolarHBondContact O-N 3.05Å; L415-Q418 PolarHBondContact O-N 3.16Å; L415-Q418 VanDerWaalsContact O-N 3.08Å; L415-A419 WeakPolarHBondContact O-CB 3.07Å; L415-A419 PolarHBondContact O-N 3.14Å; L415-M426 HydrophobicContact CB-CE 4.02Å; L415-M426 HydrophobicContact CD1-CE 3.35Å; L415-M426 HydrophobicContact CD2-CE 4.38Å; L415-M426 HydrophobicContact CG-CE 4.09Å
416	A	83.2	Confident	89	Confident	42 Å²	42	81 Å²	81	35%	0.347	42%	0.424	S	S	.	.	H	α-helix	trans	-45.2	-57	-174	0	0	0	0	0	112.9	M412 Q418 A419 V420	M412-A416 VanDerWaalsContact O-CA 3.3Å; M412-A416 WeakPolarHBondContact O-CA 3.46Å; M412-A416 WeakPolarHBondContact O-CB 3.28Å; M412-A416 PolarHBondContact O-N 3.13Å; A416-Q418 VanDerWaalsContact C-N 3.31Å; A416-Q418 PolarHBondContact O-N 3.19Å; A416-A419 PolarHBondContact O-N 3.37Å; A416-V420 VanDerWaalsContact O-CG2 3.3Å; A416-V420 WeakPolarHBondContact O-CG2 3.38Å; A416-V420 PolarHBondContact O-N 3.08Å
417	N	88.2	Confident	89	Confident	135 Å²	135	83.9 Å²	83.9	72%	0.722	44%	0.438	S	S	*	.	H	α-helix	trans	-62.4	-37.9	-175.9	-61.6	-6.9	0	0	0	112.3	L415 Q421	L415-N417 PolarHBondContact O-N 3.05Å; N417-Q421 WeakPolarHBondContact O-CG 3.23Å
418	Q	87.8	Confident	89	Confident	103 Å²	103	82.8 Å²	82.8	48%	0.481	44%	0.442	S	S	.	.	H	α-helix	trans	-79.8	-34.3	-179.9	-64.8	179.1	-6.3	0	0	112.2	L415 A416 V420 Q421 D422 M426	L415-Q418 PolarHBondContact O-N 3.16Å; L415-Q418 VanDerWaalsContact O-N 3.08Å; A416-Q418 VanDerWaalsContact C-N 3.31Å; A416-Q418 PolarHBondContact O-N 3.19Å; Q418-V420 VanDerWaalsContact C-N 3.35Å; Q418-Q421 PolarHBondContact O-N 3.09Å; Q418-D422 PolarHBondContact O-N 3.2Å; Q418-D422 VanDerWaalsContact O-N 3.13Å; Q418-M426 HydrophobicContact CB-CE 3.88Å; Q418-M426 HydrophobicContact CB-CG 4.19Å; Q418-M426 HydrophobicContact CB-SD 4.02Å; Q418-M426 WeakPolarHBondContact O-CG 3.29Å; Q418-M426 VanDerWaalsContact OE1-CE 3.3Å
419	A	88.5	Confident	89.1	Confident	2 Å²	2	83.5 Å²	83.5	2%	0.017	44%	0.444	C	S	.	.	H	α-helix	trans	-72.6	-28.3	-180	0	0	0	0	0	112.3	L411 M412 L415 A416 P423 M426	L411-A419 HydrophobicContact CD1-CB 4.41Å; L411-A419 HydrophobicContact CG-CB 4.36Å; M412-A419 HydrophobicContact CE-CB 4.44Å; M412-A419 HydrophobicContact SD-CB 3.79Å; L415-A419 WeakPolarHBondContact O-CB 3.07Å; L415-A419 PolarHBondContact O-N 3.14Å; A416-A419 PolarHBondContact O-N 3.37Å; A419-P423 VanDerWaalsContact O-CA 3.29Å; A419-P423 WeakPolarHBondContact O-CA 3.46Å; A419-M426 HydrophobicContact CB-CB 4.3Å; A419-M426 HydrophobicContact CB-CG 4.43Å
420	V	88.3	Confident	89.2	Confident	116 Å²	116	78.7 Å²	78.7	70%	0.703	41%	0.41	S	S	*	.	H	α-helix	trans	-73.9	-35.4	172.8	173.5	0	0	0	0	111.5	A416 Q418	A416-V420 VanDerWaalsContact O-CG2 3.3Å; A416-V420 WeakPolarHBondContact O-CG2 3.38Å; A416-V420 PolarHBondContact O-N 3.08Å; Q418-V420 VanDerWaalsContact C-N 3.35Å
421	Q	90.1	Very high	89.4	Confident	150 Å²	150	84.1 Å²	84.1	70%	0.701	43%	0.428	S	S	*	.	H	α-helix	trans	-67.5	-55.3	176.8	-72.1	176.6	-4.9	0	0	111.8	N417 Q418	N417-Q421 WeakPolarHBondContact O-CG 3.23Å; Q418-Q421 PolarHBondContact O-N 3.09Å
422	D	91	Very high	89.7	Confident	82 Å²	82	87 Å²	87	44%	0.439	45%	0.449	S	S	.	.			trans	-132.1	83.5	-177.1	-70	-31.1	0	0	0	111.6	Q418 T424 K425 M426	Q418-D422 PolarHBondContact O-N 3.2Å; Q418-D422 VanDerWaalsContact O-N 3.13Å; D422-T424 PolarHBondContact O-N 3.34Å; D422-K425 HydrophobicContact CB-CB 3.77Å; D422-K425 HydrophobicContact CB-CD 4.29Å; D422-K425 PolarHBondContact O-N 2.91Å; D422-M426 WeakPolarHBondContact O-CG 3.49Å; D422-M426 PolarHBondContact O-N 3.11Å; D422-M426 VanDerWaalsContact O-N 3.11Å
423	P	90.1	Very high	89.9	Confident	74 Å²	74	83 Å²	83	48%	0.481	43%	0.429	S	S	.	.	H	α-helix	trans	-60.7	-44.1	-173.4	21.9	-33.1	0	0	0	112.9	A419 M426 E427	A419-P423 VanDerWaalsContact O-CA 3.29Å; A419-P423 WeakPolarHBondContact O-CA 3.46Å; P423-M426 PolarHBondContact O-N 3.11Å; P423-E427 WeakPolarHBondContact O-CB 3.5Å; P423-E427 PolarHBondContact O-N 3.31Å
424	T	92.3	Very high	90.1	Very high	112 Å²	112	77.9 Å²	77.9	69%	0.687	41%	0.414	S	S	*	.	H	α-helix	trans	-65.9	-41.2	-178.4	-50	0	0	0	0	112.3	D422 S428	D422-T424 PolarHBondContact O-N 3.34Å; T424-S428 VanDerWaalsContact O-CB 3.3Å; T424-S428 WeakPolarHBondContact O-CB 3.36Å; T424-S428 PolarHBondContact O-N 2.69Å
425	K	92.6	Very high	90.6	Very high	139 Å²	139	77.5 Å²	77.5	60%	0.604	42%	0.418	S	S	*	.	H	α-helix	trans	-65.8	-44.7	179.7	-174.9	178.4	177.1	-179.3	0	110.7	D422 S428 H429	D422-K425 HydrophobicContact CB-CB 3.77Å; D422-K425 HydrophobicContact CB-CD 4.29Å; D422-K425 PolarHBondContact O-N 2.91Å; K425-S428 PolarHBondContact O-N 3.18Å; K425-H429 WeakPolarHBondContact O-CB 3.18Å; K425-H429 PolarHBondContact O-N 3.04Å
426	M	89.1	Confident	91.1	Very high	20 Å²	20	83.2 Å²	83.2	10%	0.099	44%	0.441	C	S	.	.	H	α-helix	trans	-69.8	-39.1	179.3	-62.5	-46.3	-66.5	0	0	112	L411 L415 Q418 A419 D422 P423 H429 V430	L411-M426 HydrophobicContact CD1-CB 4.01Å; L415-M426 HydrophobicContact CB-CE 4.02Å; L415-M426 HydrophobicContact CD1-CE 3.35Å; L415-M426 HydrophobicContact CD2-CE 4.38Å; L415-M426 HydrophobicContact CG-CE 4.09Å; Q418-M426 HydrophobicContact CB-CE 3.88Å; Q418-M426 HydrophobicContact CB-CG 4.19Å; Q418-M426 HydrophobicContact CB-SD 4.02Å; Q418-M426 WeakPolarHBondContact O-CG 3.29Å; Q418-M426 VanDerWaalsContact OE1-CE 3.3Å; A419-M426 HydrophobicContact CB-CB 4.3Å; A419-M426 HydrophobicContact CB-CG 4.43Å; D422-M426 WeakPolarHBondContact O-CG 3.49Å; D422-M426 PolarHBondContact O-N 3.11Å; D422-M426 VanDerWaalsContact O-N 3.11Å; P423-M426 PolarHBondContact O-N 3.11Å; M426-H429 PolarHBondContact O-N 2.93Å; M426-V430 WeakPolarHBondContact O-CG2 3.41Å; M426-V430 PolarHBondContact O-N 2.98Å
427	E	90.8	Very high	91.6	Very high	64 Å²	64	84.9 Å²	84.9	30%	0.299	44%	0.438	S	S	.	.	H	α-helix	trans	-61.6	-46.4	173	-167.4	-170.1	169.9	0	0	111.6	L411 P423 H429 V430 R431	L411-E427 HydrophobicContact CD2-CB 4.41Å; P423-E427 WeakPolarHBondContact O-CB 3.5Å; P423-E427 PolarHBondContact O-N 3.31Å; E427-H429 VanDerWaalsContact C-N 3.33Å; E427-H429 PolarHBondContact O-N 3.36Å; E427-V430 PolarHBondContact O-N 3.41Å; E427-R431 HydrophobicContact CG-CG 4.49Å; E427-R431 WeakPolarHBondContact O-CB 3.48Å; E427-R431 WeakPolarHBondContact O-CG 3.4Å; E427-R431 PolarHBondContact O-N 3.35Å; E427-R431 IonicContact OE1-CZ 2.71Å; E427-R431 IonicContact OE1-NE 3.58Å; E427-R431 PolarHBondContact OE1-NE 3.24Å; E427-R431 IonicContact OE1-NH2 3.77Å; E427-R431 PolarHBondContact OE1-NH2 3.21Å
428	S	92.7	Very high	92	Very high	76 Å²	76	83.4 Å²	83.4	53%	0.531	43%	0.43	S	S	.	.	H	α-helix	trans	-58.3	-44.2	176.1	-178.8	0	0	0	0	111.8	T424 K425 V430 R431 S432	T424-S428 VanDerWaalsContact O-CB 3.3Å; T424-S428 WeakPolarHBondContact O-CB 3.36Å; T424-S428 PolarHBondContact O-N 2.69Å; K425-S428 PolarHBondContact O-N 3.18Å; S428-V430 PolarHBondContact O-N 2.85Å; S428-R431 PolarHBondContact O-N 3.18Å; S428-S432 WeakPolarHBondContact O-CB 3.5Å; S428-S432 PolarHBondContact O-N 3.18Å
429	H	90.8	Very high	92.4	Very high	95 Å²	95	84 Å²	84	44%	0.44	43%	0.433	S	S	.	.	H	α-helix	trans	-60.8	-45.8	176.1	-173.5	76.1	0	0	0	112	K425 M426 E427 S432 Q433	K425-H429 WeakPolarHBondContact O-CB 3.18Å; K425-H429 PolarHBondContact O-N 3.04Å; M426-H429 PolarHBondContact O-N 2.93Å; E427-H429 VanDerWaalsContact C-N 3.33Å; E427-H429 PolarHBondContact O-N 3.36Å; H429-S432 WeakPolarHBondContact O-CB 3.38Å; H429-S432 PolarHBondContact O-N 3.45Å; H429-Q433 PolarHBondContact CD2-NE2 2.7Å; H429-Q433 PolarHBondContact NE2-NE2 3.13Å; H429-Q433 WeakPolarHBondContact O-CG 3.4Å; H429-Q433 PolarHBondContact O-N 2.83Å
430	V	92.4	Very high	92.8	Very high	0 Å²	0	91.3 Å²	91.3	0%	0	46%	0.464	C	S	.	.	H	α-helix	trans	-65.3	-40.1	177	174.3	0	0	0	0	112.1	V406 I408 L411 M426 E427 S428 S432 Q433 M434	V406-V430 HydrophobicContact CB-CG1 4.33Å; V406-V430 HydrophobicContact CB-CG2 3.91Å; V406-V430 HydrophobicContact CG1-CB 4.35Å; V406-V430 HydrophobicContact CG1-CG1 4.02Å; V406-V430 HydrophobicContact CG1-CG2 3.33Å; I408-V430 HydrophobicContact CG1-CG1 4.17Å; L411-V430 HydrophobicContact CD1-CG2 3.44Å; L411-V430 VanDerWaalsContact CD1-CG2 3.44Å; L411-V430 HydrophobicContact CG-CG2 4.45Å; M426-V430 WeakPolarHBondContact O-CG2 3.41Å; M426-V430 PolarHBondContact O-N 2.98Å; E427-V430 PolarHBondContact O-N 3.41Å; S428-V430 PolarHBondContact O-N 2.85Å; V430-S432 VanDerWaalsContact C-N 3.34Å; V430-Q433 PolarHBondContact O-N 3.29Å; V430-M434 HydrophobicContact CG1-CG 4.5Å; V430-M434 HydrophobicContact CG1-SD 4.28Å; V430-M434 WeakPolarHBondContact O-CB 3.26Å; V430-M434 WeakPolarHBondContact O-CG 3.35Å; V430-M434 PolarHBondContact O-N 3.09Å
431	R	93.9	Very high	93.2	Very high	146 Å²	146	90.9 Å²	90.9	55%	0.551	45%	0.454	S	S	*	.	H	α-helix	trans	-61.9	-42.5	173.8	-74.9	-178.6	-179.2	-156.1	3.3	111	I408 E427 S428 M434 A435	I408-R431 HydrophobicContact CD1-CG 4.24Å; E427-R431 HydrophobicContact CG-CG 4.49Å; E427-R431 WeakPolarHBondContact O-CB 3.48Å; E427-R431 WeakPolarHBondContact O-CG 3.4Å; E427-R431 PolarHBondContact O-N 3.35Å; E427-R431 IonicContact OE1-CZ 2.71Å; E427-R431 IonicContact OE1-NE 3.58Å; E427-R431 PolarHBondContact OE1-NE 3.24Å; E427-R431 IonicContact OE1-NH2 3.77Å; E427-R431 PolarHBondContact OE1-NH2 3.21Å; S428-R431 PolarHBondContact O-N 3.18Å; R431-M434 WeakPolarHBondContact O-CB 3.42Å; R431-M434 PolarHBondContact O-N 2.81Å; R431-A435 WeakPolarHBondContact O-CB 3.23Å; R431-A435 PolarHBondContact O-N 3.17Å
432	S	93.9	Very high	93.5	Very high	73 Å²	73	87.7 Å²	87.7	51%	0.51	44%	0.441	S	S	.	.	H	α-helix	trans	-61	-46	173.6	-179.7	0	0	0	0	111.9	S428 H429 V430 M434 A435 K436	S428-S432 WeakPolarHBondContact O-CB 3.5Å; S428-S432 PolarHBondContact O-N 3.18Å; H429-S432 WeakPolarHBondContact O-CB 3.38Å; H429-S432 PolarHBondContact O-N 3.45Å; V430-S432 VanDerWaalsContact C-N 3.34Å; S432-M434 VanDerWaalsContact C-N 3.33Å; S432-M434 PolarHBondContact O-N 3.3Å; S432-A435 PolarHBondContact O-N 3.46Å; S432-K436 WeakPolarHBondContact O-CB 3.34Å; S432-K436 PolarHBondContact O-N 2.87Å
433	Q	93.2	Very high	93.8	Very high	33 Å²	33	88.7 Å²	88.7	15%	0.154	44%	0.443	C	S	.	.	H	α-helix	trans	-63.4	-36.3	173.9	-69.8	-173	0.3	0	0	112.9	H429 V430 R437	H429-Q433 PolarHBondContact CD2-NE2 2.7Å; H429-Q433 PolarHBondContact NE2-NE2 3.13Å; H429-Q433 WeakPolarHBondContact O-CG 3.4Å; H429-Q433 PolarHBondContact O-N 2.83Å; V430-Q433 PolarHBondContact O-N 3.29Å; Q433-R437 WeakPolarHBondContact O-CG 3.48Å; Q433-R437 PolarHBondContact O-N 3.44Å; Q433-R437 VanDerWaalsContact O-N 3.14Å; Q433-R437 PolarHBondContact O-NE 3Å
434	M	93.5	Very high	94.1	Very high	78 Å²	78	86.8 Å²	86.8	38%	0.384	43%	0.433	S	S	.	.	H	α-helix	trans	-63.4	-48	172.3	-77.5	-179.5	60.6	0	0	111.1	I408 V430 R431 S432 R437 L438	I408-M434 HydrophobicContact CD1-CE 4.39Å; I408-M434 HydrophobicContact CD1-SD 3.92Å; I408-M434 HydrophobicContact CG1-SD 3.77Å; V430-M434 HydrophobicContact CG1-CG 4.5Å; V430-M434 HydrophobicContact CG1-SD 4.28Å; V430-M434 WeakPolarHBondContact O-CB 3.26Å; V430-M434 WeakPolarHBondContact O-CG 3.35Å; V430-M434 PolarHBondContact O-N 3.09Å; R431-M434 WeakPolarHBondContact O-CB 3.42Å; R431-M434 PolarHBondContact O-N 2.81Å; S432-M434 VanDerWaalsContact C-N 3.33Å; S432-M434 PolarHBondContact O-N 3.3Å; M434-R437 PolarHBondContact O-N 2.89Å; M434-L438 PolarHBondContact O-N 3.31Å
435	A	95.3	Very high	94.2	Very high	54 Å²	54	84.2 Å²	84.2	45%	0.446	42%	0.416	S	S	.	.	H	α-helix	trans	-60.1	-48.8	177.5	0	0	0	0	0	111.2	R431 S432 R437 L438 E439	R431-A435 WeakPolarHBondContact O-CB 3.23Å; R431-A435 PolarHBondContact O-N 3.17Å; S432-A435 PolarHBondContact O-N 3.46Å; A435-R437 VanDerWaalsContact C-N 3.3Å; A435-R437 PolarHBondContact O-N 3.29Å; A435-L438 CarbonylContact O-C 3.59Å; A435-L438 WeakPolarHBondContact O-CB 3.41Å; A435-L438 PolarHBondContact O-N 3.27Å; A435-L438 VanDerWaalsContact O-N 3.08Å; A435-E439 WeakPolarHBondContact O-CB 3.48Å; A435-E439 PolarHBondContact O-N 3.44Å
436	K	95	Very high	94.3	Very high	153 Å²	153	82.7 Å²	82.7	67%	0.665	41%	0.413	S	S	*	.	H	α-helix	trans	-58.3	-38.5	176.9	-171.4	174.3	-176.1	176.3	0	112.7	S432 K440	S432-K436 WeakPolarHBondContact O-CB 3.34Å; S432-K436 PolarHBondContact O-N 2.87Å; K436-K440 VanDerWaalsContact O-CB 3.31Å; K436-K440 WeakPolarHBondContact O-CB 3.14Å; K436-K440 PolarHBondContact O-N 3.39Å
437	R	93.9	Very high	94.5	Very high	77 Å²	77	88.7 Å²	88.7	29%	0.291	44%	0.441	S	S	.	.	H	α-helix	trans	-67.8	-42.4	174.7	-77.9	176.8	-66.5	179.8	-2.7	112.2	V406 Q433 M434 A435 H441	V406-R437 VanDerWaalsContact O-CZ 3.28Å; V406-R437 PolarHBondContact O-NH1 2.96Å; V406-R437 PolarHBondContact O-NH2 2.86Å; Q433-R437 WeakPolarHBondContact O-CG 3.48Å; Q433-R437 PolarHBondContact O-N 3.44Å; Q433-R437 VanDerWaalsContact O-N 3.14Å; Q433-R437 PolarHBondContact O-NE 3Å; M434-R437 PolarHBondContact O-N 2.89Å; A435-R437 VanDerWaalsContact C-N 3.3Å; A435-R437 PolarHBondContact O-N 3.29Å; R437-H441 WeakPolarHBondContact O-CB 3.49Å; R437-H441 PolarHBondContact O-N 3.06Å
438	L	96.1	Very high	94.6	Very high	105 Å²	105	93.6 Å²	93.6	55%	0.55	46%	0.457	S	S	.	.	H	α-helix	trans	-64.4	-45.4	176.7	177.6	61.5	0	0	0	110.7	M434 A435 H441 I442	M434-L438 PolarHBondContact O-N 3.31Å; A435-L438 CarbonylContact O-C 3.59Å; A435-L438 WeakPolarHBondContact O-CB 3.41Å; A435-L438 PolarHBondContact O-N 3.27Å; A435-L438 VanDerWaalsContact O-N 3.08Å; L438-H441 WeakPolarHBondContact O-CB 3.37Å; L438-H441 PolarHBondContact O-N 3.29Å; L438-I442 HydrophobicContact CD1-CD1 4.08Å; L438-I442 HydrophobicContact CD1-CG1 4.37Å; L438-I442 HydrophobicContact CG-CD1 3.93Å; L438-I442 WeakPolarHBondContact O-CG1 3.38Å; L438-I442 PolarHBondContact O-N 2.6Å
439	E	96.9	Very high	94.7	Very high	115 Å²	115	96.2 Å²	96.2	54%	0.537	46%	0.459	S	S	.	.	H	α-helix	trans	-59.1	-50.6	176.2	-175.7	179.8	-164.9	0	0	111	A435 H441 I442 Q443	A435-E439 WeakPolarHBondContact O-CB 3.48Å; A435-E439 PolarHBondContact O-N 3.44Å; E439-H441 PolarHBondContact O-N 3.27Å; E439-I442 CarbonylContact O-C 3.57Å; E439-I442 PolarHBondContact O-N 2.97Å; E439-I442 VanDerWaalsContact O-N 3.07Å; E439-Q443 WeakPolarHBondContact O-CB 3.2Å; E439-Q443 PolarHBondContact O-N 3.14Å
440	K	96.8	Very high	94.8	Very high	155 Å²	155	94.2 Å²	94.2	67%	0.674	45%	0.451	S	S	*	.	H	α-helix	trans	-57.1	-38.6	175.5	-174.7	172.7	-177.5	169.5	0	112.2	K436 A444	K436-K440 VanDerWaalsContact O-CB 3.31Å; K436-K440 WeakPolarHBondContact O-CB 3.14Å; K436-K440 PolarHBondContact O-N 3.39Å; K440-A444 VanDerWaalsContact O-CB 3.28Å; K440-A444 WeakPolarHBondContact O-CB 3.48Å; K440-A444 PolarHBondContact O-N 2.93Å
441	H	96.5	Very high	94.8	Very high	108 Å²	108	97.3 Å²	97.3	50%	0.5	47%	0.47	S	S	.	.	H	α-helix	trans	-66	-45	175.1	171.1	-103.4	0	0	0	112.2	R437 L438 E439 A444 N445	R437-H441 WeakPolarHBondContact O-CB 3.49Å; R437-H441 PolarHBondContact O-N 3.06Å; L438-H441 WeakPolarHBondContact O-CB 3.37Å; L438-H441 PolarHBondContact O-N 3.29Å; E439-H441 PolarHBondContact O-N 3.27Å; H441-A444 PolarHBondContact O-N 3.18Å; H441-N445 PolarHBondContact CE1-ND2 3.37Å; H441-N445 PolarHBondContact NE2-ND2 3.47Å; H441-N445 VanDerWaalsContact O-CG 3.31Å; H441-N445 PolarHBondContact O-N 3.16Å; H441-N445 PolarHBondContact O-ND2 3.01Å
442	I	97.2	Very high	94.8	Very high	82 Å²	82	94.6 Å²	94.6	42%	0.421	47%	0.472	S	S	.	.	H	α-helix	trans	-63.8	-47.4	176.5	-67.8	168.1	0	0	0	110	L438 E439 A444 N445 L446	L438-I442 HydrophobicContact CD1-CD1 4.08Å; L438-I442 HydrophobicContact CD1-CG1 4.37Å; L438-I442 HydrophobicContact CG-CD1 3.93Å; L438-I442 WeakPolarHBondContact O-CG1 3.38Å; L438-I442 PolarHBondContact O-N 2.6Å; E439-I442 CarbonylContact O-C 3.57Å; E439-I442 PolarHBondContact O-N 2.97Å; E439-I442 VanDerWaalsContact O-N 3.07Å; I442-A444 PolarHBondContact O-N 2.96Å; I442-N445 CarbonylContact O-C 3.55Å; I442-N445 WeakPolarHBondContact O-CA 3.45Å; I442-N445 WeakPolarHBondContact O-CB 3.37Å; I442-N445 PolarHBondContact O-N 3.12Å; I442-L446 HydrophobicContact CG2-CD1 3.94Å; I442-L446 HydrophobicContact CG2-CG 4.16Å; I442-L446 WeakPolarHBondContact O-CG 3.49Å; I442-L446 PolarHBondContact O-N 3.28Å
443	Q	97.3	Very high	94.7	Very high	104 Å²	104	94.5 Å²	94.5	49%	0.486	48%	0.475	S	S	.	.	H	α-helix	trans	-58.1	-45.7	177.6	-169	-176.4	24.5	0	0	111.4	E439 N445 L446 Q447	E439-Q443 WeakPolarHBondContact O-CB 3.2Å; E439-Q443 PolarHBondContact O-N 3.14Å; Q443-N445 VanDerWaalsContact C-N 3.28Å; Q443-N445 PolarHBondContact O-N 3.25Å; Q443-L446 PolarHBondContact O-N 3.12Å; Q443-L446 VanDerWaalsContact O-N 3.15Å; Q443-Q447 WeakPolarHBondContact O-CB 3.47Å; Q443-Q447 WeakPolarHBondContact O-CG 3.49Å; Q443-Q447 PolarHBondContact O-N 3.28Å
444	A	95.7	Very high	94.8	Very high	33 Å²	33	97.8 Å²	97.8	27%	0.273	49%	0.49	S	S	.	.	H	α-helix	trans	-63.6	-32.4	175.3	0	0	0	0	0	112.8	K440 H441 I442 R448	K440-A444 VanDerWaalsContact O-CB 3.28Å; K440-A444 WeakPolarHBondContact O-CB 3.48Å; K440-A444 PolarHBondContact O-N 2.93Å; H441-A444 PolarHBondContact O-N 3.18Å; I442-A444 PolarHBondContact O-N 2.96Å; A444-R448 WeakPolarHBondContact O-CB 3.37Å; A444-R448 WeakPolarHBondContact O-CG 3.46Å; A444-R448 PolarHBondContact O-N 2.74Å; A444-R448 PolarHBondContact O-NE 3.04Å
445	N	95.6	Very high	94.8	Very high	59 Å²	59	99.5 Å²	99.5	32%	0.316	49%	0.492	S	S	.	.	H	α-helix	trans	-71.8	-39.5	172.7	-72.1	-28.4	0	0	0	111.7	H441 I442 Q443 R448 K449	H441-N445 PolarHBondContact CE1-ND2 3.37Å; H441-N445 PolarHBondContact NE2-ND2 3.47Å; H441-N445 VanDerWaalsContact O-CG 3.31Å; H441-N445 PolarHBondContact O-N 3.16Å; H441-N445 PolarHBondContact O-ND2 3.01Å; I442-N445 CarbonylContact O-C 3.55Å; I442-N445 WeakPolarHBondContact O-CA 3.45Å; I442-N445 WeakPolarHBondContact O-CB 3.37Å; I442-N445 PolarHBondContact O-N 3.12Å; Q443-N445 VanDerWaalsContact C-N 3.28Å; Q443-N445 PolarHBondContact O-N 3.25Å; N445-R448 PolarHBondContact O-N 3.16Å; N445-R448 PolarHBondContact OD1-NH1 3.07Å; N445-R448 PolarHBondContact OD1-NH2 2.88Å; N445-K449 WeakPolarHBondContact O-CB 3.43Å; N445-K449 PolarHBondContact O-N 2.95Å
446	L	94	Very high	94.5	Very high	106 Å²	106	102.2 Å²	102.2	56%	0.555	50%	0.498	S	S	*	.	H	α-helix	trans	-65.7	-43.3	176.8	-68.9	176.7	0	0	0	111.2	I442 Q443 R448 K449	I442-L446 HydrophobicContact CG2-CD1 3.94Å; I442-L446 HydrophobicContact CG2-CG 4.16Å; I442-L446 WeakPolarHBondContact O-CG 3.49Å; I442-L446 PolarHBondContact O-N 3.28Å; Q443-L446 PolarHBondContact O-N 3.12Å; Q443-L446 VanDerWaalsContact O-N 3.15Å; L446-R448 VanDerWaalsContact C-N 3.34Å; L446-R448 PolarHBondContact O-N 3.04Å; L446-K449 WeakPolarHBondContact O-CB 3.32Å; L446-K449 PolarHBondContact O-N 3.48Å
447	Q	94.1	Very high	94.4	Very high	147 Å²	147	97.8 Å²	97.8	69%	0.687	49%	0.49	S	S	*	.	H	α-helix	trans	-61.3	-39.9	174.6	-73.3	172.5	-12.4	0	0	112.2	Q443 K449	Q443-Q447 WeakPolarHBondContact O-CB 3.47Å; Q443-Q447 WeakPolarHBondContact O-CG 3.49Å; Q443-Q447 PolarHBondContact O-N 3.28Å; Q447-K449 VanDerWaalsContact C-N 3.34Å
448	R	92.6	Very high	94.4	Very high	167 Å²	167	100.7 Å²	100.7	63%	0.63	51%	0.505	S	S	*	.	H	α-helix	trans	-76.1	-18.3	176.2	-78.3	-175.6	-80.5	116.4	-1.7	114	A444 N445 L446 L450	A444-R448 WeakPolarHBondContact O-CB 3.37Å; A444-R448 WeakPolarHBondContact O-CG 3.46Å; A444-R448 PolarHBondContact O-N 2.74Å; A444-R448 PolarHBondContact O-NE 3.04Å; N445-R448 PolarHBondContact O-N 3.16Å; N445-R448 PolarHBondContact OD1-NH1 3.07Å; N445-R448 PolarHBondContact OD1-NH2 2.88Å; L446-R448 VanDerWaalsContact C-N 3.34Å; L446-R448 PolarHBondContact O-N 3.04Å; R448-L450 PolarHBondContact O-N 3.36Å
449	K	93.5	Very high	94.1	Very high	131 Å²	131	102.6 Å²	102.6	57%	0.57	51%	0.505	S	S	*	.	S	Bend	trans	-70.4	114.7	-177.3	-174.9	178.1	-177.6	-180	0	108.6	N445 L446 Q447 T451	N445-K449 WeakPolarHBondContact O-CB 3.43Å; N445-K449 PolarHBondContact O-N 2.95Å; L446-K449 WeakPolarHBondContact O-CB 3.32Å; L446-K449 PolarHBondContact O-N 3.48Å; Q447-K449 VanDerWaalsContact C-N 3.34Å; K449-T451 PolarHBondContact O-N 3.25Å
450	L	92.7	Very high	93.6	Very high	53 Å²	53	99.1 Å²	99.1	28%	0.277	50%	0.496	S	S	.	.			trans	-53.1	134.9	176.5	-77.2	86.3	0	0	0	110.7	R448 Q454 R455 K458	R448-L450 PolarHBondContact O-N 3.36Å; L450-Q454 HydrophobicContact CB-CB 4.26Å; L450-Q454 HydrophobicContact CD2-CB 4.13Å; L450-Q454 HydrophobicContact CG-CB 4.47Å; L450-R455 HydrophobicContact CB-CG 3.62Å; L450-R455 HydrophobicContact CD2-CG 4.22Å; L450-R455 VanDerWaalsContact O-CZ 3.29Å; L450-R455 PolarHBondContact O-NE 3.42Å; L450-R455 PolarHBondContact O-NH2 3.04Å; L450-K458 HydrophobicContact CD2-CD 3.55Å; L450-K458 HydrophobicContact CD2-CG 4.38Å
451	T	93.3	Very high	93.3	Very high	65 Å²	65	98 Å²	98	40%	0.399	49%	0.491	S	S	.	.			trans	-61.2	152.9	170.6	68.8	0	0	0	0	109.7	K449 A453 Q454 R455	K449-T451 PolarHBondContact O-N 3.25Å; T451-A453 PolarHBondContact O-N 3.19Å; T451-Q454 PolarHBondContact O-N 3.05Å; T451-Q454 VanDerWaalsContact O-N 3.13Å; T451-Q454 WeakPolarHBondContact OG1-CB 3.38Å; T451-Q454 WeakPolarHBondContact OG1-CG 3.46Å; T451-Q454 PolarHBondContact OG1-N 2.95Å; T451-R455 WeakPolarHBondContact O-CG 3.39Å; T451-R455 PolarHBondContact O-N 2.8Å
452	P	92.9	Very high	92.9	Very high	89 Å²	89	98.2 Å²	98.2	58%	0.578	49%	0.49	S	S	*	.	H	α-helix	trans	-53.3	-41.5	177.9	-26.6	35.3	0	0	0	112.7	R455 I456	P452-R455 WeakPolarHBondContact O-CB 3.43Å; P452-R455 PolarHBondContact O-N 3.15Å; P452-I456 WeakPolarHBondContact O-CG1 3.28Å; P452-I456 PolarHBondContact O-N 3.4Å
453	A	93.5	Very high	92.3	Very high	70 Å²	70	95.9 Å²	95.9	58%	0.579	48%	0.476	S	S	*	.	H	α-helix	trans	-60.1	-47.2	175.7	0	0	0	0	0	112.5	T451 R455 I456 A457	T451-A453 PolarHBondContact O-N 3.19Å; A453-R455 VanDerWaalsContact C-N 3.26Å; A453-R455 PolarHBondContact O-N 2.74Å; A453-I456 PolarHBondContact O-N 3.13Å; A453-I456 VanDerWaalsContact O-N 3.15Å; A453-A457 PolarHBondContact O-N 2.87Å
454	Q	94.2	Very high	91.5	Very high	102 Å²	102	97 Å²	97	48%	0.477	48%	0.482	S	S	.	.	H	α-helix	trans	-61.4	-34.6	176.5	-73.2	169.9	-1.2	0	0	112.4	L450 T451 K458	L450-Q454 HydrophobicContact CB-CB 4.26Å; L450-Q454 HydrophobicContact CD2-CB 4.13Å; L450-Q454 HydrophobicContact CG-CB 4.47Å; T451-Q454 PolarHBondContact O-N 3.05Å; T451-Q454 VanDerWaalsContact O-N 3.13Å; T451-Q454 WeakPolarHBondContact OG1-CB 3.38Å; T451-Q454 WeakPolarHBondContact OG1-CG 3.46Å; T451-Q454 PolarHBondContact OG1-N 2.95Å; Q454-K458 WeakPolarHBondContact O-CB 3.43Å; Q454-K458 WeakPolarHBondContact O-CG 3.44Å; Q454-K458 PolarHBondContact O-N 2.84Å
455	R	93.5	Very high	90.8	Very high	114 Å²	114	99.3 Å²	99.3	43%	0.43	49%	0.489	S	S	.	.	H	α-helix	trans	-68.5	-40.6	175.6	-64.1	-176.4	-148.2	151.3	11.8	111.9	L450 T451 P452 A453 K458 R459	L450-R455 HydrophobicContact CB-CG 3.62Å; L450-R455 HydrophobicContact CD2-CG 4.22Å; L450-R455 VanDerWaalsContact O-CZ 3.29Å; L450-R455 PolarHBondContact O-NE 3.42Å; L450-R455 PolarHBondContact O-NH2 3.04Å; T451-R455 WeakPolarHBondContact O-CG 3.39Å; T451-R455 PolarHBondContact O-N 2.8Å; P452-R455 WeakPolarHBondContact O-CB 3.43Å; P452-R455 PolarHBondContact O-N 3.15Å; A453-R455 VanDerWaalsContact C-N 3.26Å; A453-R455 PolarHBondContact O-N 2.74Å; R455-K458 PolarHBondContact O-N 3.39Å; R455-R459 WeakPolarHBondContact O-CB 3.49Å; R455-R459 PolarHBondContact O-N 3.43Å
456	I	90.3	Very high	90.1	Very high	112 Å²	112	97.6 Å²	97.6	57%	0.574	48%	0.48	S	S	*	.	H	α-helix	trans	-63.7	-47.9	176.1	-66.3	166.1	0	0	0	109.5	P452 A453 K458 R459 A460	P452-I456 WeakPolarHBondContact O-CG1 3.28Å; P452-I456 PolarHBondContact O-N 3.4Å; A453-I456 PolarHBondContact O-N 3.13Å; A453-I456 VanDerWaalsContact O-N 3.15Å; I456-K458 PolarHBondContact O-N 3.39Å; I456-R459 CarbonylContact O-C 3.13Å; I456-R459 WeakPolarHBondContact O-CA 3.41Å; I456-R459 WeakPolarHBondContact O-CB 3.41Å; I456-R459 PolarHBondContact O-N 2.91Å; I456-A460 PolarHBondContact O-N 3.19Å
457	A	92.4	Very high	89.2	Confident	60 Å²	60	94.5 Å²	94.5	50%	0.496	46%	0.463	S	S	.	.	H	α-helix	trans	-58.8	-44.5	176.8	0	0	0	0	0	112.4	A453 R459 A460 K461	A453-A457 PolarHBondContact O-N 2.87Å; A457-R459 VanDerWaalsContact C-N 3.29Å; A457-R459 PolarHBondContact O-N 3.21Å; A457-A460 PolarHBondContact O-N 2.72Å; A457-K461 WeakPolarHBondContact O-CB 3.45Å; A457-K461 PolarHBondContact O-N 3.32Å
458	K	93.1	Very high	88.3	Confident	138 Å²	138	92 Å²	92	60%	0.6	45%	0.453	S	S	*	.	H	α-helix	trans	-61.9	-35.7	174.3	-77.7	-166.3	-178.5	-174.1	0	112.9	L450 Q454 R455 I456 K462	L450-K458 HydrophobicContact CD2-CD 3.55Å; L450-K458 HydrophobicContact CD2-CG 4.38Å; Q454-K458 WeakPolarHBondContact O-CB 3.43Å; Q454-K458 WeakPolarHBondContact O-CG 3.44Å; Q454-K458 PolarHBondContact O-N 2.84Å; R455-K458 PolarHBondContact O-N 3.39Å; I456-K458 PolarHBondContact O-N 3.39Å; K458-K462 PolarHBondContact O-N 2.8Å
459	R	89.3	Confident	87.5	Confident	145 Å²	145	87.9 Å²	87.9	55%	0.547	45%	0.447	S	S	.	.	H	α-helix	trans	-70.9	-42.9	176.1	-170.8	-174	-64.1	168.9	0.2	111.4	R455 I456 A457 K462 Y463	R455-R459 WeakPolarHBondContact O-CB 3.49Å; R455-R459 PolarHBondContact O-N 3.43Å; I456-R459 CarbonylContact O-C 3.13Å; I456-R459 WeakPolarHBondContact O-CA 3.41Å; I456-R459 WeakPolarHBondContact O-CB 3.41Å; I456-R459 PolarHBondContact O-N 2.91Å; A457-R459 VanDerWaalsContact C-N 3.29Å; A457-R459 PolarHBondContact O-N 3.21Å; R459-K462 WeakPolarHBondContact O-CB 3.28Å; R459-K462 PolarHBondContact O-N 2.91Å; R459-Y463 HydrophobicContact CG-CD2 4.38Å; R459-Y463 HydrophobicContact CG-CE1 4.45Å; R459-Y463 HydrophobicContact CG-CE2 3.69Å; R459-Y463 WeakPolarHBondContact O-CD2 3.32Å; R459-Y463 PolarHBondContact O-N 3.46Å; R459-Y463 VanDerWaalsContact O-N 3.16Å
460	A	87.8	Confident	87	Confident	41 Å²	41	82.2 Å²	82.2	34%	0.339	43%	0.425	S	S	.	.	H	α-helix	trans	-61.6	-45.6	176.3	0	0	0	0	0	111.4	I456 A457 K462 Y463 Q464	I456-A460 PolarHBondContact O-N 3.19Å; A457-A460 PolarHBondContact O-N 2.72Å; A460-K462 VanDerWaalsContact C-N 3.33Å; A460-K462 PolarHBondContact O-N 3.08Å; A460-Y463 PolarHBondContact O-N 2.91Å; A460-Y463 VanDerWaalsContact O-N 3.08Å; A460-Q464 WeakPolarHBondContact O-CG 3.48Å; A460-Q464 PolarHBondContact O-N 3.32Å
461	K	89.3	Confident	86.9	Confident	131 Å²	131	80.2 Å²	80.2	57%	0.57	42%	0.415	S	S	*	.	H	α-helix	trans	-56.7	-45.8	174.4	-174.7	172.9	-178.5	171.8	0	111.8	A457 Y463 Q464 D465	A457-K461 WeakPolarHBondContact O-CB 3.45Å; A457-K461 PolarHBondContact O-N 3.32Å; K461-Y463 VanDerWaalsContact C-N 3.26Å; K461-Y463 PolarHBondContact O-N 3.37Å; K461-Q464 PolarHBondContact O-N 3.47Å; K461-D465 PolarHBondContact O-N 3.21Å
462	K	88.2	Confident	87	Confident	113 Å²	113	79 Å²	79	49%	0.491	41%	0.405	S	S	.	.	H	α-helix	trans	-58.1	-36.9	176.5	-177.6	-176.1	174.9	-173.5	0	112.9	K458 R459 A460 D466	K458-K462 PolarHBondContact O-N 2.8Å; R459-K462 WeakPolarHBondContact O-CB 3.28Å; R459-K462 PolarHBondContact O-N 2.91Å; A460-K462 VanDerWaalsContact C-N 3.33Å; A460-K462 PolarHBondContact O-N 3.08Å; K462-D466 PolarHBondContact O-N 2.95Å
463	Y	84.5	Confident	87.1	Confident	34 Å²	34	74.8 Å²	74.8	13%	0.133	38%	0.377	C	S	.	.	H	α-helix	trans	-72.7	-43.5	176.7	-62.5	-34.4	0	0	0	111.7	R459 A460 K461 D465 D466 H467 Q496 N498 Q520	R459-Y463 HydrophobicContact CG-CD2 4.38Å; R459-Y463 HydrophobicContact CG-CE1 4.45Å; R459-Y463 HydrophobicContact CG-CE2 3.69Å; R459-Y463 WeakPolarHBondContact O-CD2 3.32Å; R459-Y463 PolarHBondContact O-N 3.46Å; R459-Y463 VanDerWaalsContact O-N 3.16Å; A460-Y463 PolarHBondContact O-N 2.91Å; A460-Y463 VanDerWaalsContact O-N 3.08Å; K461-Y463 VanDerWaalsContact C-N 3.26Å; K461-Y463 PolarHBondContact O-N 3.37Å; Y463-D465 VanDerWaalsContact C-N 3.33Å; Y463-D465 PolarHBondContact O-N 3.18Å; Y463-D466 PolarHBondContact O-N 2.74Å; Y463-D466 VanDerWaalsContact O-N 3.11Å; Y463-H467 PolarHBondContact O-CD2 2.92Å; Y463-H467 PolarHBondContact O-N 2.98Å; Y463-Q496 PolarHBondContact OH-O 3.1Å; Y463-N498 HydrophobicContact CD2-CB 3.72Å; Y463-N498 HydrophobicContact CE2-CB 4.09Å; Y463-N498 HydrophobicContact CG-CB 4.45Å; Y463-Q520 HydrophobicContact CD1-CG 4.14Å; Y463-Q520 VanDerWaalsContact CD1-NE2 3.31Å; Y463-Q520 HydrophobicContact CE1-CG 4.2Å; Y463-Q520 VanDerWaalsContact CG-NE2 3.35Å
464	Q	82.2	Confident	87.3	Confident	127 Å²	127	71.4 Å²	71.4	59%	0.593	35%	0.35	S	S	*	.	H	α-helix	trans	-56.2	-47	174.8	-70.6	172.4	-12.9	0	0	111.5	A460 K461 D466 H467	A460-Q464 WeakPolarHBondContact O-CG 3.48Å; A460-Q464 PolarHBondContact O-N 3.32Å; K461-Q464 PolarHBondContact O-N 3.47Å; Q464-D466 VanDerWaalsContact C-N 3.26Å; Q464-D466 PolarHBondContact O-N 2.86Å; Q464-H467 PolarHBondContact O-N 3.08Å; Q464-H467 VanDerWaalsContact O-N 3.1Å
465	D	80.6	Confident	87.4	Confident	81 Å²	81	66.6 Å²	66.6	43%	0.433	33%	0.327	S	S	.	.	H	α-helix	trans	-59.1	-36.8	177.2	-61.6	-20.2	0	0	0	111.9	K461 Y463 H467 I468	K461-D465 PolarHBondContact O-N 3.21Å; Y463-D465 VanDerWaalsContact C-N 3.33Å; Y463-D465 PolarHBondContact O-N 3.18Å; D465-H467 VanDerWaalsContact C-N 3.35Å; D465-I468 PolarHBondContact O-N 2.91Å
466	D	80	Confident	87.6	Confident	24 Å²	24	61.2 Å²	61.2	13%	0.128	31%	0.307	C	S	.	.	H	α-helix	trans	-74.1	-20.8	179.3	-81.4	-8.7	0	0	0	112.9	K462 Y463 Q464 K519	K462-D466 PolarHBondContact O-N 2.95Å; Y463-D466 PolarHBondContact O-N 2.74Å; Y463-D466 VanDerWaalsContact O-N 3.11Å; Q464-D466 VanDerWaalsContact C-N 3.26Å; Q464-D466 PolarHBondContact O-N 2.86Å; D466-K519 IonicContact OD1-NZ 3.3Å; D466-K519 PolarHBondContact OD1-NZ 2.92Å; D466-K519 WeakPolarHBondContact OD2-CD 3.25Å; D466-K519 IonicContact OD2-NZ 3.84Å; D466-K519 PolarHBondContact OD2-NZ 2.88Å
467	H	75.9	Confident	87.7	Confident	40 Å²	40	56.8 Å²	56.8	19%	0.185	28%	0.283	C	S	.	.	H	α-helix	trans	-80.3	-17.4	175.9	-75.2	-76.5	0	0	0	113.5	Y463 Q464 D465 V469 G470	Y463-H467 PolarHBondContact O-CD2 2.92Å; Y463-H467 PolarHBondContact O-N 2.98Å; Q464-H467 PolarHBondContact O-N 3.08Å; Q464-H467 VanDerWaalsContact O-N 3.1Å; D465-H467 VanDerWaalsContact C-N 3.35Å; H467-V469 PolarHBondContact O-N 2.99Å; H467-G470 PolarHBondContact O-N 3.41Å
468	I	74.6	Confident	87.8	Confident	96 Å²	96	54 Å²	54	49%	0.492	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-32.9	-177	-63.7	172.5	0	0	0	111.1	H360 D465 G470	H360-I468 PolarHBondContact CD2-O 2.77Å; H360-I468 PolarHBondContact NE2-O 3.26Å; D465-I468 PolarHBondContact O-N 2.91Å; I468-G470 PolarHBondContact O-N 3.46Å
469	V	76.3	Confident	87.6	Confident	80 Å²	80	49 Å²	49	49%	0.485	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-29.7	-176.4	-177.7	0	0	0	0	113.3	H360 H467	H360-V469 VanDerWaalsContact CE1-CA 3.47Å; H360-V469 WeakPolarHBondContact CE1-CA 3.44Å; H360-V469 WeakPolarHBondContact NE2-CA 3.37Å; H360-V469 PolarHBondContact NE2-O 3.08Å; H467-V469 PolarHBondContact O-N 2.99Å
470	G	83.1	Confident	87.6	Confident	12 Å²	12	45.5 Å²	45.5	12%	0.124	23%	0.232	C	C	.	.			trans	137.2	161.6	-165.6	0	0	0	0	0	108.9	H467 I468	H467-G470 PolarHBondContact O-N 3.41Å; I468-G470 PolarHBondContact O-N 3.46Å
471	T	90.4	Very high	87.7	Confident	10 Å²	10	43.7 Å²	43.7	6%	0.061	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	114.5	179.6	-57.7	0	0	0	0	108.7	V473 E515 V559 V560 R563	T471-V473 HydrophobicContact CG2-CG2 4.26Å; T471-E515 HydrophobicContact CG2-CB 3.77Å; T471-V559 WeakPolarHBondContact O-CA 3.27Å; T471-V560 PolarHBondContact N-O 2.9Å; T471-V560 PolarHBondContact O-N 3.04Å; T471-R563 HydrophobicContact CG2-CB 4.17Å; T471-R563 PolarHBondContact OG1-N 2.81Å
472	H	94.1	Very high	87.7	Confident	40 Å²	40	43 Å²	43	19%	0.185	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	134.5	169.7	-74.2	-105.6	0	0	0	109.5	E515 G516 I521 G558 V559	H472-E515 WeakPolarHBondContact O-CA 3.32Å; H472-G516 WeakPolarHBondContact CA-O 3.37Å; H472-G516 WeakPolarHBondContact CB-O 3.39Å; H472-G516 PolarHBondContact N-O 3.38Å; H472-G516 PolarHBondContact O-N 2.98Å; H472-G516 VanDerWaalsContact O-O 3.11Å; H472-I521 HydrophobicContact CB-CB 4.34Å; H472-I521 HydrophobicContact CB-CG1 3.71Å; H472-I521 WeakPolarHBondContact O-CG1 3.47Å; H472-G558 CarbonylContact C-O 3.53Å; H472-G558 WeakPolarHBondContact CA-O 3.45Å; H472-V559 WeakPolarHBondContact CE1-CG2 3.31Å
473	V	95.9	Very high	87.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	137.2	-178.6	-177.1	0	0	0	0	109	T471 V475 V513 V514 E515 W556 E557 G558 V560 Y591	T471-V473 HydrophobicContact CG2-CG2 4.26Å; V473-V475 HydrophobicContact CG1-CG2 4.47Å; V473-V513 HydrophobicContact CG1-CG1 4.06Å; V473-V514 CarbonylContact C-O 3.56Å; V473-V514 VanDerWaalsContact CA-O 3.24Å; V473-V514 WeakPolarHBondContact CA-O 3.49Å; V473-E515 HydrophobicContact CB-CG 4.49Å; V473-E515 HydrophobicContact CG1-CG 4.14Å; V473-E515 HydrophobicContact CG2-CB 4.35Å; V473-E515 HydrophobicContact CG2-CG 3.81Å; V473-W556 HydrophobicContact CB-CH2 4.45Å; V473-W556 HydrophobicContact CB-CZ3 3.7Å; V473-W556 HydrophobicContact CG1-CE3 4.31Å; V473-W556 HydrophobicContact CG1-CZ3 3.77Å; V473-E557 WeakPolarHBondContact O-CA 3.45Å; V473-G558 PolarHBondContact N-O 3.14Å; V473-G558 PolarHBondContact O-N 3.49Å; V473-V560 HydrophobicContact CB-CG2 4.28Å; V473-V560 HydrophobicContact CG2-CB 4.08Å; V473-V560 HydrophobicContact CG2-CG2 3.58Å; V473-Y591 HydrophobicContact CG1-CE2 4.2Å
474	A	97.2	Very high	88.1	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	133.1	171	0	0	0	0	0	109.9	F476 V514 I521 L554 W556	A474-F476 HydrophobicContact CB-CD2 4.49Å; A474-F476 HydrophobicContact CB-CE2 3.63Å; A474-F476 HydrophobicContact CB-CZ 3.89Å; A474-V514 PolarHBondContact N-O 3.37Å; A474-V514 PolarHBondContact O-N 2.93Å; A474-I521 HydrophobicContact CB-CG2 3.87Å; A474-L554 HydrophobicContact CB-CD1 4.24Å; A474-W556 CarbonylContact C-O 3.58Å; A474-W556 WeakPolarHBondContact CA-O 3.46Å
475	V	97.1	Very high	88.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.4	179.7	179.7	0	0	0	0	108.2	V473 I511 V513 I555 W556 Y591	V473-V475 HydrophobicContact CG1-CG2 4.47Å; V475-I511 HydrophobicContact CG1-CG2 4.03Å; V475-V513 HydrophobicContact CG1-CG2 4.19Å; V475-V513 HydrophobicContact CG2-CG1 4.23Å; V475-V513 HydrophobicContact CG2-CG2 4.06Å; V475-I555 HydrophobicContact CG1-CB 4.36Å; V475-I555 HydrophobicContact CG1-CD1 4.08Å; V475-I555 PolarHBondContact O-N 3.36Å; V475-W556 HydrophobicContact CB-CB 4.32Å; V475-W556 HydrophobicContact CG2-CE3 4.08Å; V475-W556 PolarHBondContact N-O 3.29Å; V475-W556 PolarHBondContact O-N 3.32Å; V475-Y591 HydrophobicContact CG2-CD1 4.05Å; V475-Y591 HydrophobicContact CG2-CD2 4.33Å; V475-Y591 HydrophobicContact CG2-CG 3.92Å
476	F	96.6	Very high	89.3	Confident	1 Å²	1	36.9 Å²	36.9	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	144.5	176.7	-55.2	-89.5	0	0	0	110.7	A474 I511 V512 V514 F524 K525 M528 M529 Y553 L554	A474-F476 HydrophobicContact CB-CD2 4.49Å; A474-F476 HydrophobicContact CB-CE2 3.63Å; A474-F476 HydrophobicContact CB-CZ 3.89Å; F476-I511 WeakPolarHBondContact O-CA 3.34Å; F476-V512 HydrophobicContact CB-CB 4.26Å; F476-V512 PolarHBondContact N-O 2.96Å; F476-V512 PolarHBondContact O-N 2.93Å; F476-V514 HydrophobicContact CD2-CG2 4.22Å; F476-V514 HydrophobicContact CE2-CG2 4.13Å; F476-F524 AromaticContact CE2-CD1 3.98Å; F476-F524 HydrophobicContact CE2-CD1 3.98Å; F476-F524 HydrophobicContact CE2-CE1 4.23Å; F476-K525 HydrophobicContact CE1-CG 4.43Å; F476-K525 HydrophobicContact CZ-CB 4.13Å; F476-K525 HydrophobicContact CZ-CG 4.39Å; F476-M528 HydrophobicContact CB-CE 4.22Å; F476-M528 HydrophobicContact CD1-CB 4.16Å; F476-M528 HydrophobicContact CD2-CG 4.33Å; F476-M528 HydrophobicContact CE1-CB 4.02Å; F476-M528 HydrophobicContact CE1-CG 4.45Å; F476-M528 HydrophobicContact CE2-CG 4.28Å; F476-M528 HydrophobicContact CG-CE 4.34Å; F476-M528 HydrophobicContact CG-CG 4.46Å; F476-M528 HydrophobicContact CZ-CB 4.31Å; F476-M528 HydrophobicContact CZ-CG 4.35Å; F476-M529 HydrophobicContact CE1-CG 4.41Å; F476-Y553 CarbonylContact C-O 3.57Å; F476-Y553 WeakPolarHBondContact CA-O 3.35Å; F476-L554 HydrophobicContact CD1-CB 4.21Å; F476-L554 HydrophobicContact CD1-CD1 3.92Å; F476-L554 HydrophobicContact CE1-CB 4.18Å; F476-L554 HydrophobicContact CE1-CD1 3.55Å; F476-L554 HydrophobicContact CE1-CG 4.42Å; F476-L554 HydrophobicContact CZ-CD1 3.91Å
477	R	93.9	Very high	90	Very high	20 Å²	20	39 Å²	39	8%	0.075	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	134.2	166.7	174	176.2	91.8	114.6	-7	109.9	I509 N510 C552 Y553 I555 A599	R477-I509 HydrophobicContact CG-CG2 4.43Å; R477-N510 CarbonylContact C-O 3.55Å; R477-N510 WeakPolarHBondContact CA-O 3.28Å; R477-C552 CarbonylContact O-C 3.57Å; R477-C552 WeakPolarHBondContact O-CA 3.46Å; R477-Y553 PolarHBondContact N-O 2.99Å; R477-Y553 PolarHBondContact O-N 3.45Å; R477-I555 HydrophobicContact CB-CD1 3.34Å; R477-I555 HydrophobicContact CB-CG1 3.95Å; R477-I555 HydrophobicContact CG-CD1 4.48Å; R477-A599 VanDerWaalsContact NH1-CA 3.25Å
478	V	93.3	Very high	90.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.9	175.8	-178.1	0	0	0	0	107.6	D480 L481 N510 M528 W534 C552	V478-D480 WeakPolarHBondContact CG1-O 3.3Å; V478-L481 HydrophobicContact CG1-CB 4.38Å; V478-N510 HydrophobicContact CB-CB 4.32Å; V478-N510 PolarHBondContact N-O 2.9Å; V478-N510 WeakPolarHBondContact O-CA 3.42Å; V478-N510 VanDerWaalsContact O-CB 3.28Å; V478-N510 WeakPolarHBondContact O-CB 3.5Å; V478-N510 PolarHBondContact O-N 3.38Å; V478-N510 PolarHBondContact O-ND2 3.15Å; V478-M528 HydrophobicContact CG2-CE 4.13Å; V478-W534 HydrophobicContact CB-CZ3 4.36Å; V478-W534 HydrophobicContact CG1-CD2 4.42Å; V478-W534 HydrophobicContact CG1-CE3 3.63Å; V478-W534 HydrophobicContact CG1-CH2 3.98Å; V478-W534 HydrophobicContact CG1-CZ3 3.39Å; V478-W534 HydrophobicContact CG2-CH2 3.72Å; V478-W534 HydrophobicContact CG2-CZ2 4.1Å; V478-W534 HydrophobicContact CG2-CZ3 4.04Å; V478-C552 HydrophobicContact CG2-CB 4.07Å
479	L	89.5	Confident	92	Very high	34 Å²	34	40.5 Å²	40.5	18%	0.178	22%	0.22	C	C	.	.	S	Bend	trans	-66.2	-53.8	179	-66.1	173.1	0	0	0	110.6	N510 P548	L479-N510 PolarHBondContact O-ND2 3.24Å; L479-P548 HydrophobicContact CD1-CB 4.29Å
480	D	88.7	Confident	92.9	Very high	72 Å²	72	36.7 Å²	36.7	39%	0.385	20%	0.197	S	C	.	.			trans	-127.3	123	178.4	-178.4	21.3	0	0	0	112.3	V478 T482 N550	V478-D480 WeakPolarHBondContact CG1-O 3.3Å; D480-T482 WeakPolarHBondContact OD1-CB 3.37Å; D480-T482 PolarHBondContact OD1-N 3.32Å; D480-T482 PolarHBondContact OD1-OG1 2.96Å; D480-N550 PolarHBondContact N-OD1 3.46Å; D480-N550 PolarHBondContact O-ND2 2.64Å
481	L	90.7	Very high	93.5	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.016	20%	0.204	C	C	.	.			trans	-122.4	30.9	175	-168.4	57.7	0	0	0	111.7	V478 D483 K486 I490 V503 L505 N510 V512 W534	V478-L481 HydrophobicContact CG1-CB 4.38Å; L481-D483 VanDerWaalsContact C-N 3.32Å; L481-K486 HydrophobicContact CD1-CB 4.07Å; L481-I490 HydrophobicContact CD1-CD1 3.53Å; L481-I490 HydrophobicContact CD2-CD1 3.78Å; L481-I490 HydrophobicContact CG-CD1 4.32Å; L481-V503 HydrophobicContact CD2-CG1 3.74Å; L481-L505 HydrophobicContact CB-CD2 3.82Å; L481-L505 HydrophobicContact CD2-CD2 3.82Å; L481-L505 HydrophobicContact CG-CD2 4.02Å; L481-N510 HydrophobicContact CB-CB 4.06Å; L481-N510 PolarHBondContact N-ND2 3.33Å; L481-V512 HydrophobicContact CD2-CG2 4.3Å; L481-W534 HydrophobicContact CD1-CH2 4.05Å; L481-W534 HydrophobicContact CD1-CZ3 3.79Å
482	T	88	Confident	93.8	Very high	115 Å²	115	41.5 Å²	41.5	71%	0.706	22%	0.216	S	C	*	.			trans	-70.8	-28.2	177.4	-54.6	0	0	0	0	112.3	D480 P484	D480-T482 WeakPolarHBondContact OD1-CB 3.37Å; D480-T482 PolarHBondContact OD1-N 3.32Å; D480-T482 PolarHBondContact OD1-OG1 2.96Å; T482-P484 WeakPolarHBondContact O-CD 3.36Å
483	D	90.1	Very high	93.9	Very high	45 Å²	45	40.6 Å²	40.6	24%	0.241	21%	0.213	C	C	.	.			trans	-63.9	116.6	-179.6	178	3.3	0	0	0	112	L481 T485 K486 K487	L481-D483 VanDerWaalsContact C-N 3.32Å; D483-T485 VanDerWaalsContact CG-OG1 3.3Å; D483-T485 PolarHBondContact O-N 2.85Å; D483-T485 WeakPolarHBondContact OD1-CB 3.31Å; D483-T485 PolarHBondContact OD1-N 3.39Å; D483-T485 PolarHBondContact OD1-OG1 3.02Å; D483-T485 PolarHBondContact OD2-OG1 3.1Å; D483-K486 HydrophobicContact CB-CB 4.27Å; D483-K486 HydrophobicContact CB-CD 3.97Å; D483-K486 HydrophobicContact CB-CG 4.18Å; D483-K486 PolarHBondContact O-N 3.29Å; D483-K486 WeakPolarHBondContact OD2-CD 3.41Å; D483-K486 WeakPolarHBondContact OD2-CE 3.1Å; D483-K486 VanDerWaalsContact OD2-CG 3.3Å; D483-K486 WeakPolarHBondContact OD2-CG 3.15Å; D483-K486 IonicContact OD2-NZ 2.95Å; D483-K487 PolarHBondContact O-N 2.96Å
484	P	92.8	Very high	93.9	Very high	96 Å²	96	40.6 Å²	40.6	62%	0.623	21%	0.213	S	C	*	.	H	α-helix	trans	-62.4	-27.3	-179.1	26.2	-35.3	0	0	0	112.8	T482 F488	T482-P484 WeakPolarHBondContact O-CD 3.36Å; P484-F488 WeakPolarHBondContact O-CB 3.32Å; P484-F488 PolarHBondContact O-N 3.22Å
485	T	93.6	Very high	93.7	Very high	74 Å²	74	45 Å²	45	45%	0.454	23%	0.232	S	C	.	.	H	α-helix	trans	-72.2	-41.7	-179.9	77.3	0	0	0	0	111.7	D483 K489	D483-T485 VanDerWaalsContact CG-OG1 3.3Å; D483-T485 PolarHBondContact O-N 2.85Å; D483-T485 WeakPolarHBondContact OD1-CB 3.31Å; D483-T485 PolarHBondContact OD1-N 3.39Å; D483-T485 PolarHBondContact OD1-OG1 3.02Å; D483-T485 PolarHBondContact OD2-OG1 3.1Å; T485-K489 VanDerWaalsContact O-CG 3.26Å; T485-K489 WeakPolarHBondContact O-CG 3.46Å; T485-K489 PolarHBondContact O-N 3.08Å
486	K	94	Very high	93.5	Very high	13 Å²	13	50.4 Å²	50.4	6%	0.057	26%	0.257	C	S	.	.	H	α-helix	trans	-67	-45.9	175.6	-66.7	171.8	-160.7	165.3	0	109.7	L481 D483 F488 K489 I490 I532 R533 W534 D536	L481-K486 HydrophobicContact CD1-CB 4.07Å; D483-K486 HydrophobicContact CB-CB 4.27Å; D483-K486 HydrophobicContact CB-CD 3.97Å; D483-K486 HydrophobicContact CB-CG 4.18Å; D483-K486 PolarHBondContact O-N 3.29Å; D483-K486 WeakPolarHBondContact OD2-CD 3.41Å; D483-K486 WeakPolarHBondContact OD2-CE 3.1Å; D483-K486 VanDerWaalsContact OD2-CG 3.3Å; D483-K486 WeakPolarHBondContact OD2-CG 3.15Å; D483-K486 IonicContact OD2-NZ 2.95Å; K486-F488 PolarHBondContact O-N 3.41Å; K486-K489 PolarHBondContact O-N 3.11Å; K486-I490 WeakPolarHBondContact O-CG1 3.34Å; K486-I490 PolarHBondContact O-N 3.19Å; K486-I490 VanDerWaalsContact O-N 3.09Å; K486-I532 HydrophobicContact CB-CG2 4.46Å; K486-I532 HydrophobicContact CD-CG2 4.28Å; K486-I532 HydrophobicContact CG-CG2 3.93Å; K486-R533 VanDerWaalsContact CE-O 3.29Å; K486-R533 WeakPolarHBondContact CE-O 3.47Å; K486-W534 HydrophobicContact CB-CZ3 4.38Å; K486-W534 HydrophobicContact CD-CE3 4.08Å; K486-W534 HydrophobicContact CD-CZ3 4.21Å; K486-W534 PolarHBondContact NZ-O 2.88Å; K486-D536 IonicContact NZ-OD1 3.1Å; K486-D536 PolarHBondContact NZ-OD1 2.88Å
487	K	94.1	Very high	93.3	Very high	68 Å²	68	51.5 Å²	51.5	30%	0.296	26%	0.263	S	S	.	.	H	α-helix	trans	-57.9	-47.4	174.6	-175.9	179.7	175	176.2	0	112.6	D483 K489 I490 E491	D483-K487 PolarHBondContact O-N 2.96Å; K487-K489 VanDerWaalsContact C-N 3.34Å; K487-K489 PolarHBondContact O-N 3.32Å; K487-I490 WeakPolarHBondContact O-CB 3.35Å; K487-I490 PolarHBondContact O-N 3Å; K487-E491 PolarHBondContact O-N 2.87Å
488	F	95.3	Very high	93.1	Very high	76 Å²	76	54 Å²	54	33%	0.333	28%	0.278	S	S	.	.	H	α-helix	trans	-60.8	-42.7	177	177.2	-82.3	0	0	0	111.7	F79 P484 K486 I490 E491 M492	F79-F488 AromaticContact CD1-CE1 3.94Å; F79-F488 HydrophobicContact CD1-CE1 3.94Å; F79-F488 HydrophobicContact CD1-CE2 4.19Å; F79-F488 AromaticContact CD1-CZ 3.56Å; F79-F488 HydrophobicContact CD1-CZ 3.56Å; F79-F488 AromaticContact CE1-CD1 3.93Å; F79-F488 HydrophobicContact CE1-CD1 3.93Å; F79-F488 AromaticContact CE1-CE1 3.2Å; F79-F488 HydrophobicContact CE1-CE1 3.2Å; F79-F488 HydrophobicContact CE1-CE2 4.23Å; F79-F488 AromaticContact CE1-CZ 3.33Å; F79-F488 HydrophobicContact CE1-CZ 3.33Å; F79-F488 HydrophobicContact CZ-CE1 4.13Å; P484-F488 WeakPolarHBondContact O-CB 3.32Å; P484-F488 PolarHBondContact O-N 3.22Å; K486-F488 PolarHBondContact O-N 3.41Å; F488-I490 VanDerWaalsContact C-N 3.32Å; F488-I490 PolarHBondContact O-N 3.23Å; F488-E491 PolarHBondContact O-N 2.9Å; F488-M492 HydrophobicContact CD1-CB 4.12Å; F488-M492 HydrophobicContact CE1-CB 3.53Å; F488-M492 HydrophobicContact CE1-CE 4.42Å; F488-M492 HydrophobicContact CE1-CG 3.76Å; F488-M492 HydrophobicContact CE2-CB 4.41Å; F488-M492 HydrophobicContact CE2-CE 3.81Å; F488-M492 HydrophobicContact CZ-CB 3.76Å; F488-M492 HydrophobicContact CZ-CE 3.49Å; F488-M492 VanDerWaalsContact CZ-CE 3.49Å; F488-M492 HydrophobicContact CZ-CG 3.78Å; F488-M492 HydrophobicContact CZ-SD 4.47Å; F488-M492 WeakPolarHBondContact O-CB 3.34Å; F488-M492 PolarHBondContact O-N 3.26Å
489	K	96.5	Very high	93.2	Very high	91 Å²	91	54.2 Å²	54.2	40%	0.396	28%	0.279	S	S	.	.	H	α-helix	trans	-59.7	-44.3	178.1	-75.4	167	-174.9	168.6	0	111	T485 K486 K487 N493 I532	T485-K489 VanDerWaalsContact O-CG 3.26Å; T485-K489 WeakPolarHBondContact O-CG 3.46Å; T485-K489 PolarHBondContact O-N 3.08Å; K486-K489 PolarHBondContact O-N 3.11Å; K487-K489 VanDerWaalsContact C-N 3.34Å; K487-K489 PolarHBondContact O-N 3.32Å; K489-N493 VanDerWaalsContact O-CB 3.25Å; K489-N493 WeakPolarHBondContact O-CB 3.32Å; K489-N493 PolarHBondContact O-N 3.17Å; K489-N493 PolarHBondContact O-ND2 3.29Å; K489-I532 HydrophobicContact CB-CD1 4.26Å; K489-I532 HydrophobicContact CD-CG1 4.39Å
490	I	96.5	Very high	93.4	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-59	-55.4	177.4	-70.6	167.9	0	0	0	110.5	L481 K486 K487 F488 A494 V503 V512 F524 M528 I532 W534 F568	L481-I490 HydrophobicContact CD1-CD1 3.53Å; L481-I490 HydrophobicContact CD2-CD1 3.78Å; L481-I490 HydrophobicContact CG-CD1 4.32Å; K486-I490 WeakPolarHBondContact O-CG1 3.34Å; K486-I490 PolarHBondContact O-N 3.19Å; K486-I490 VanDerWaalsContact O-N 3.09Å; K487-I490 WeakPolarHBondContact O-CB 3.35Å; K487-I490 PolarHBondContact O-N 3Å; F488-I490 VanDerWaalsContact C-N 3.32Å; F488-I490 PolarHBondContact O-N 3.23Å; I490-A494 WeakPolarHBondContact O-CB 3.34Å; I490-A494 PolarHBondContact O-N 3.23Å; I490-V503 HydrophobicContact CG2-CG2 3.88Å; I490-V512 HydrophobicContact CG2-CG1 4.23Å; I490-F524 HydrophobicContact CG2-CZ 4.14Å; I490-M528 HydrophobicContact CD1-CE 4.04Å; I490-M528 HydrophobicContact CD1-SD 4.04Å; I490-M528 HydrophobicContact CG1-CE 4.34Å; I490-M528 HydrophobicContact CG1-SD 3.69Å; I490-I532 HydrophobicContact CG1-CD1 4.14Å; I490-W534 HydrophobicContact CD1-CH2 3.9Å; I490-F568 HydrophobicContact CG2-CE1 3.88Å; I490-F568 HydrophobicContact CG2-CZ 3.75Å
491	E	95.9	Very high	93.8	Very high	57 Å²	57	50 Å²	50	27%	0.266	26%	0.256	S	S	.	.	H	α-helix	trans	-63.6	-48.3	-176.4	-170.7	-171.5	155.9	0	0	112.3	K487 F488 A494 K495 F568	K487-E491 PolarHBondContact O-N 2.87Å; F488-E491 PolarHBondContact O-N 2.9Å; E491-A494 PolarHBondContact O-N 3.29Å; E491-K495 HydrophobicContact CG-CD 4.39Å; E491-K495 WeakPolarHBondContact O-CG 3.31Å; E491-K495 PolarHBondContact O-N 2.92Å; E491-K495 IonicContact OE1-NZ 2.64Å; E491-K495 PolarHBondContact OE1-NZ 2.71Å; E491-F568 HydrophobicContact CG-CD1 4.39Å
492	M	96.1	Very high	94	Very high	65 Å²	65	49.9 Å²	49.9	32%	0.32	26%	0.256	S	S	.	.	H	α-helix	trans	-68.8	-38.4	-176.4	-174.8	56.2	68.4	0	0	112	F488 K495 Q496	F488-M492 HydrophobicContact CD1-CB 4.12Å; F488-M492 HydrophobicContact CE1-CB 3.53Å; F488-M492 HydrophobicContact CE1-CE 4.42Å; F488-M492 HydrophobicContact CE1-CG 3.76Å; F488-M492 HydrophobicContact CE2-CB 4.41Å; F488-M492 HydrophobicContact CE2-CE 3.81Å; F488-M492 HydrophobicContact CZ-CB 3.76Å; F488-M492 HydrophobicContact CZ-CE 3.49Å; F488-M492 VanDerWaalsContact CZ-CE 3.49Å; F488-M492 HydrophobicContact CZ-CG 3.78Å; F488-M492 HydrophobicContact CZ-SD 4.47Å; F488-M492 WeakPolarHBondContact O-CB 3.34Å; F488-M492 PolarHBondContact O-N 3.26Å; M492-K495 PolarHBondContact O-N 3.01Å; M492-Q496 HydrophobicContact CG-CG 4.4Å; M492-Q496 WeakPolarHBondContact O-CB 3.26Å; M492-Q496 WeakPolarHBondContact O-CG 3.37Å; M492-Q496 PolarHBondContact O-N 3Å; M492-Q496 HydrophobicContact SD-CG 4.16Å
493	N	96.7	Very high	94.4	Very high	22 Å²	22	44.5 Å²	44.5	12%	0.118	22%	0.223	C	C	.	.	H	α-helix	trans	-69.1	-37.5	175.7	-77.6	-98.9	0	0	0	111.1	K489 Q496 L497 L527	K489-N493 VanDerWaalsContact O-CB 3.25Å; K489-N493 WeakPolarHBondContact O-CB 3.32Å; K489-N493 PolarHBondContact O-N 3.17Å; K489-N493 PolarHBondContact O-ND2 3.29Å; N493-Q496 PolarHBondContact O-N 2.79Å; N493-L497 VanDerWaalsContact O-CB 3.3Å; N493-L497 WeakPolarHBondContact O-CB 3.37Å; N493-L497 WeakPolarHBondContact O-CD1 3.28Å; N493-L497 WeakPolarHBondContact O-CG 3.18Å; N493-L497 PolarHBondContact O-N 2.99Å; N493-L527 HydrophobicContact CB-CD2 3.42Å; N493-L527 VanDerWaalsContact CB-CD2 3.42Å; N493-L527 VanDerWaalsContact CG-CD2 3.43Å
494	A	95.5	Very high	94.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60	-48.4	174.3	0	0	0	0	0	111.2	I490 E491 L497 N498 I499 F524 F568	I490-A494 WeakPolarHBondContact O-CB 3.34Å; I490-A494 PolarHBondContact O-N 3.23Å; E491-A494 PolarHBondContact O-N 3.29Å; A494-L497 PolarHBondContact O-N 3.22Å; A494-N498 PolarHBondContact O-N 3.4Å; A494-N498 VanDerWaalsContact O-N 3.14Å; A494-I499 HydrophobicContact CB-CB 4.26Å; A494-I499 HydrophobicContact CB-CG2 4.29Å; A494-I499 PolarHBondContact O-N 3.14Å; A494-F524 HydrophobicContact CB-CE2 4.07Å; A494-F568 HydrophobicContact CB-CB 4.04Å; A494-F568 HydrophobicContact CB-CD1 3.61Å; A494-F568 HydrophobicContact CB-CD2 3.57Å; A494-F568 HydrophobicContact CB-CE1 3.87Å; A494-F568 HydrophobicContact CB-CE2 3.84Å; A494-F568 HydrophobicContact CB-CG 3.44Å; A494-F568 VanDerWaalsContact CB-CG 3.44Å; A494-F568 HydrophobicContact CB-CZ 3.96Å
495	K	93.1	Very high	94.7	Very high	93 Å²	93	38.9 Å²	38.9	40%	0.404	19%	0.187	S	C	.	.	H	α-helix	trans	-59.7	-48	175.9	-72.9	178.2	172.1	170.6	0	112.6	E491 M492 L497 N498	E491-K495 HydrophobicContact CG-CD 4.39Å; E491-K495 WeakPolarHBondContact O-CG 3.31Å; E491-K495 PolarHBondContact O-N 2.92Å; E491-K495 IonicContact OE1-NZ 2.64Å; E491-K495 PolarHBondContact OE1-NZ 2.71Å; M492-K495 PolarHBondContact O-N 3.01Å; K495-L497 VanDerWaalsContact C-N 3.29Å; K495-L497 PolarHBondContact O-N 2.82Å; K495-N498 PolarHBondContact O-N 3.03Å; K495-N498 VanDerWaalsContact O-N 3.1Å
496	Q	91.6	Very high	94.6	Very high	113 Å²	113	36.5 Å²	36.5	53%	0.528	17%	0.171	S	C	.	.	H	α-helix	trans	-65.1	-31.3	-179	-73.9	174.3	0.4	0	0	113.9	Y463 M492 N493 N498	Y463-Q496 PolarHBondContact OH-O 3.1Å; M492-Q496 HydrophobicContact CG-CG 4.4Å; M492-Q496 WeakPolarHBondContact O-CB 3.26Å; M492-Q496 WeakPolarHBondContact O-CG 3.37Å; M492-Q496 PolarHBondContact O-N 3Å; M492-Q496 HydrophobicContact SD-CG 4.16Å; N493-Q496 PolarHBondContact O-N 2.79Å; Q496-N498 VanDerWaalsContact C-N 3.32Å
497	L	92.5	Very high	94	Very high	23 Å²	23	44.2 Å²	44.2	12%	0.12	21%	0.205	C	C	.	.	H	α-helix	trans	-85.9	-5	177.3	-66.3	166.4	0	0	0	112.4	N493 A494 K495 I499 Q520 F523 F524	N493-L497 VanDerWaalsContact O-CB 3.3Å; N493-L497 WeakPolarHBondContact O-CB 3.37Å; N493-L497 WeakPolarHBondContact O-CD1 3.28Å; N493-L497 WeakPolarHBondContact O-CG 3.18Å; N493-L497 PolarHBondContact O-N 2.99Å; A494-L497 PolarHBondContact O-N 3.22Å; K495-L497 VanDerWaalsContact C-N 3.29Å; K495-L497 PolarHBondContact O-N 2.82Å; L497-I499 VanDerWaalsContact C-N 3.28Å; L497-I499 HydrophobicContact CB-CD1 3.77Å; L497-I499 HydrophobicContact CB-CG1 3.81Å; L497-I499 HydrophobicContact CD1-CD1 3.78Å; L497-I499 HydrophobicContact CG-CD1 4.44Å; L497-Q520 HydrophobicContact CB-CG 4.4Å; L497-Q520 WeakPolarHBondContact O-CG 3.44Å; L497-Q520 PolarHBondContact O-NE2 3.32Å; L497-F523 HydrophobicContact CD1-CD1 3.35Å; L497-F523 HydrophobicContact CD1-CE1 3.86Å; L497-F523 HydrophobicContact CD1-CG 4.25Å; L497-F523 HydrophobicContact CD2-CD1 4.07Å; L497-F523 HydrophobicContact CD2-CE1 4.4Å; L497-F523 HydrophobicContact CD2-CG 4.42Å; L497-F523 HydrophobicContact CG-CD1 4.28Å; L497-F524 HydrophobicContact CD1-CD2 4.42Å
498	N	91.5	Very high	93.2	Very high	73 Å²	73	46.2 Å²	46.2	39%	0.39	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	44.8	-171.2	-165.4	64.4	0	0	0	112.2	Y463 A494 K495 Q496 Q520	Y463-N498 HydrophobicContact CD2-CB 3.72Å; Y463-N498 HydrophobicContact CE2-CB 4.09Å; Y463-N498 HydrophobicContact CG-CB 4.45Å; A494-N498 PolarHBondContact O-N 3.4Å; A494-N498 VanDerWaalsContact O-N 3.14Å; K495-N498 PolarHBondContact O-N 3.03Å; K495-N498 VanDerWaalsContact O-N 3.1Å; Q496-N498 VanDerWaalsContact C-N 3.32Å; N498-Q520 PolarHBondContact O-NE2 3.44Å
499	I	94.1	Very high	92.8	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	21%	0.205	C	C	.	.			trans	-90.6	140.2	172.8	-73	173.3	0	0	0	108.4	A494 L497 V514 Q520 F524 F568	A494-I499 HydrophobicContact CB-CB 4.26Å; A494-I499 HydrophobicContact CB-CG2 4.29Å; A494-I499 PolarHBondContact O-N 3.14Å; L497-I499 VanDerWaalsContact C-N 3.28Å; L497-I499 HydrophobicContact CB-CD1 3.77Å; L497-I499 HydrophobicContact CB-CG1 3.81Å; L497-I499 HydrophobicContact CD1-CD1 3.78Å; L497-I499 HydrophobicContact CG-CD1 4.44Å; I499-V514 HydrophobicContact CB-CG1 4.49Å; I499-V514 HydrophobicContact CD1-CG1 3.99Å; I499-V514 HydrophobicContact CG2-CB 4.28Å; I499-V514 HydrophobicContact CG2-CG1 3.29Å; I499-Q520 HydrophobicContact CD1-CB 3.97Å; I499-Q520 HydrophobicContact CG1-CB 3.78Å; I499-Q520 HydrophobicContact CG1-CG 4.42Å; I499-F524 HydrophobicContact CD1-CB 3.81Å; I499-F524 HydrophobicContact CD1-CD2 3.69Å; I499-F524 HydrophobicContact CD1-CG 3.98Å; I499-F568 HydrophobicContact CG2-CD2 4.42Å
500	H	94.5	Very high	92.7	Very high	16 Å²	16	39.1 Å²	39.1	7%	0.074	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	161.3	173.5	-53.9	-70.3	0	0	0	109.9	E515 R563 F565 G566	H500-E515 HydrophobicContact CB-CB 4.48Å; H500-E515 PolarHBondContact N-O 3.25Å; H500-E515 PolarHBondContact O-N 2.91Å; H500-R563 PolarHBondContact NE2-NH1 2.99Å; H500-F565 HydrophobicContact CB-CB 4.41Å; H500-F565 WeakPolarHBondContact CB-O 3.36Å; H500-G566 PolarHBondContact CE1-O 2.81Å; H500-G566 VanDerWaalsContact CE1-O 3.31Å; H500-G566 PolarHBondContact ND1-O 3.29Å
501	G	95.8	Very high	92.6	Very high	1 Å²	1	39 Å²	39	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.2	-164.3	178.8	0	0	0	0	0	114.1	V513 F568 K569	G501-V513 CarbonylContact C-O 3.59Å; G501-V513 VanDerWaalsContact CA-O 3.25Å; G501-V513 WeakPolarHBondContact CA-O 3.44Å; G501-F568 VanDerWaalsContact O-CA 3.31Å; G501-F568 WeakPolarHBondContact O-CA 3.1Å; G501-K569 PolarHBondContact O-N 3.42Å
502	I	96.2	Very high	92.7	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	143.6	-179	-163	163	0	0	0	111.5	V504 V513 F565 K569 K571 L582 F583 Y586	I502-V504 HydrophobicContact CD1-CG2 4.37Å; I502-V504 HydrophobicContact CG1-CG2 4.21Å; I502-V504 HydrophobicContact CG2-CG2 4.4Å; I502-V513 HydrophobicContact CG2-CB 4.35Å; I502-V513 PolarHBondContact N-O 3.29Å; I502-V513 PolarHBondContact O-N 3.05Å; I502-F565 HydrophobicContact CB-CD1 4.14Å; I502-F565 HydrophobicContact CB-CE1 3.92Å; I502-F565 HydrophobicContact CB-CZ 4.46Å; I502-F565 HydrophobicContact CG2-CD1 4.17Å; I502-F565 HydrophobicContact CG2-CE1 3.47Å; I502-F565 VanDerWaalsContact CG2-CE1 3.47Å; I502-F565 HydrophobicContact CG2-CE2 4.44Å; I502-F565 HydrophobicContact CG2-CZ 3.63Å; I502-K569 CarbonylContact C-O 3.6Å; I502-K569 VanDerWaalsContact CA-O 3.31Å; I502-K569 WeakPolarHBondContact CA-O 3.24Å; I502-K569 WeakPolarHBondContact CG1-O 3.48Å; I502-K571 HydrophobicContact CD1-CD 4.16Å; I502-K571 HydrophobicContact CD1-CG 4.39Å; I502-L582 HydrophobicContact CD1-CD1 4.13Å; I502-L582 HydrophobicContact CD1-CD2 3.69Å; I502-L582 HydrophobicContact CD1-CG 4.01Å; I502-F583 HydrophobicContact CG2-CE1 3.74Å; I502-F583 HydrophobicContact CG2-CZ 3.75Å; I502-Y586 HydrophobicContact CD1-CE2 4.46Å
503	V	96.6	Very high	92.7	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.8	165.6	-178.4	0	0	0	0	107.9	L481 I490 L505 I511 V512 F568 K569 V570 K571	L481-V503 HydrophobicContact CD2-CG1 3.74Å; I490-V503 HydrophobicContact CG2-CG2 3.88Å; V503-L505 HydrophobicContact CG1-CD2 4.03Å; V503-L505 HydrophobicContact CG1-CG 4.34Å; V503-I511 CarbonylContact C-O 3.6Å; V503-I511 VanDerWaalsContact CA-O 3.32Å; V503-I511 WeakPolarHBondContact CA-O 3.42Å; V503-V512 HydrophobicContact CG1-CG2 4.05Å; V503-V512 HydrophobicContact CG2-CB 4.46Å; V503-V512 HydrophobicContact CG2-CG1 4.09Å; V503-V512 HydrophobicContact CG2-CG2 4.07Å; V503-F568 HydrophobicContact CG2-CE1 3.6Å; V503-F568 HydrophobicContact CG2-CE2 4.43Å; V503-F568 HydrophobicContact CG2-CZ 3.4Å; V503-F568 VanDerWaalsContact CG2-CZ 3.4Å; V503-K569 PolarHBondContact N-O 3.46Å; V503-V570 HydrophobicContact CB-CB 4.26Å; V503-V570 HydrophobicContact CB-CG1 3.9Å; V503-V570 HydrophobicContact CB-CG2 4.01Å; V503-V570 HydrophobicContact CG1-CG1 4.03Å; V503-V570 HydrophobicContact CG2-CG2 4.18Å; V503-V570 CarbonylContact O-C 3.53Å; V503-V570 WeakPolarHBondContact O-CA 3.45Å; V503-K571 PolarHBondContact O-N 2.98Å
504	V	95.4	Very high	92.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121.6	173.3	-179.9	0	0	0	0	108.7	I502 N510 I511 K571 C573 A579 L582 F583 W592	I502-V504 HydrophobicContact CD1-CG2 4.37Å; I502-V504 HydrophobicContact CG1-CG2 4.21Å; I502-V504 HydrophobicContact CG2-CG2 4.4Å; V504-N510 WeakPolarHBondContact O-CA 3.45Å; V504-I511 PolarHBondContact N-O 3.23Å; V504-I511 PolarHBondContact O-N 3.03Å; V504-K571 WeakPolarHBondContact CA-O 3.4Å; V504-C573 HydrophobicContact CG1-CB 4.06Å; V504-A579 HydrophobicContact CG1-CB 3.84Å; V504-L582 HydrophobicContact CG2-CD2 3.71Å; V504-F583 HydrophobicContact CB-CE2 4.18Å; V504-F583 HydrophobicContact CG2-CD2 4.43Å; V504-F583 HydrophobicContact CG2-CE2 3.49Å; V504-F583 VanDerWaalsContact CG2-CE2 3.49Å; V504-F583 HydrophobicContact CG2-CZ 3.89Å; V504-W592 HydrophobicContact CG1-CZ3 3.97Å
505	L	94.4	Very high	92.7	Very high	23 Å²	23	32.2 Å²	32.2	12%	0.12	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	123.8	179	-62.1	174.7	0	0	0	110	L481 V503 N510 V570 K571 V572 C573	L481-L505 HydrophobicContact CB-CD2 3.82Å; L481-L505 HydrophobicContact CD2-CD2 3.82Å; L481-L505 HydrophobicContact CG-CD2 4.02Å; V503-L505 HydrophobicContact CG1-CD2 4.03Å; V503-L505 HydrophobicContact CG1-CG 4.34Å; L505-N510 VanDerWaalsContact CA-OD1 3.23Å; L505-N510 WeakPolarHBondContact CA-OD1 3.44Å; L505-N510 HydrophobicContact CD2-CB 4.22Å; L505-N510 VanDerWaalsContact CD2-OD1 3.32Å; L505-N510 WeakPolarHBondContact CD2-OD1 3.33Å; L505-V570 HydrophobicContact CD1-CG1 3.84Å; L505-V570 HydrophobicContact CG-CG1 4.15Å; L505-K571 PolarHBondContact N-O 3.05Å; L505-V572 HydrophobicContact CB-CG2 4.25Å; L505-V572 HydrophobicContact CD1-CG2 3.97Å; L505-C573 PolarHBondContact O-N 2.74Å
506	H	90.1	Very high	92.7	Very high	25 Å²	25	27.8 Å²	27.8	12%	0.116	14%	0.135	C	C	.	.			trans	-139.7	159.5	175.6	-169.5	61.8	0	0	0	109.9	D508 I509 N510 C573 S574 E576	H506-D508 PolarHBondContact O-N 2.88Å; H506-I509 VanDerWaalsContact CB-O 3.3Å; H506-I509 WeakPolarHBondContact CB-O 3.4Å; H506-N510 PolarHBondContact N-OD1 3.34Å; H506-N510 VanDerWaalsContact N-OD1 3.1Å; H506-N510 PolarHBondContact O-OD1 3.06Å; H506-C573 PolarHBondContact ND1-O 2.97Å; H506-S574 PolarHBondContact CE1-O 3.4Å; H506-S574 VanDerWaalsContact CE1-O 3.25Å; H506-E576 IonicContact NE2-OE1 3.26Å
507	K	81	Confident	92.8	Very high	175 Å²	175	22.4 Å²	22.4	76%	0.761	11%	0.11	S	C	*	.	S	Bend	trans	-52.8	-37.2	-166.4	-70	-176.8	179.9	178.6	0	113.8
508	D	77.5	Confident	92.8	Very high	109 Å²	109	23.7 Å²	23.7	58%	0.583	12%	0.119	S	C	*	.	S	Bend	trans	-128.9	-6.6	-177.3	-55.6	-44.4	0	0	0	114.2	H506	H506-D508 PolarHBondContact O-N 2.88Å
509	I	88.1	Confident	92.8	Very high	11 Å²	11	25.6 Å²	25.6	6%	0.056	12%	0.124	C	C	.	.			trans	-138.3	96.9	-173.4	-57.5	170.7	0	0	0	108.8	R477 H506 I511 F596 A599	R477-I509 HydrophobicContact CG-CG2 4.43Å; H506-I509 VanDerWaalsContact CB-O 3.3Å; H506-I509 WeakPolarHBondContact CB-O 3.4Å; I509-I511 HydrophobicContact CG2-CD1 4.24Å; I509-I511 HydrophobicContact CG2-CG1 3.96Å; I509-F596 HydrophobicContact CD1-CD2 3.4Å; I509-F596 HydrophobicContact CD1-CE2 3.64Å; I509-F596 HydrophobicContact CD1-CG 4.49Å; I509-A599 HydrophobicContact CD1-CB 3.37Å; I509-A599 HydrophobicContact CG1-CB 3.76Å; I509-A599 HydrophobicContact CG2-CB 4.5Å
510	N	93.5	Very high	92.7	Very high	7 Å²	7	25.5 Å²	25.5	4%	0.037	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	123.8	173	-55.7	-71	0	0	0	109.2	R477 V478 L479 L481 V504 L505 H506	R477-N510 CarbonylContact C-O 3.55Å; R477-N510 WeakPolarHBondContact CA-O 3.28Å; V478-N510 HydrophobicContact CB-CB 4.32Å; V478-N510 PolarHBondContact N-O 2.9Å; V478-N510 WeakPolarHBondContact O-CA 3.42Å; V478-N510 VanDerWaalsContact O-CB 3.28Å; V478-N510 WeakPolarHBondContact O-CB 3.5Å; V478-N510 PolarHBondContact O-N 3.38Å; V478-N510 PolarHBondContact O-ND2 3.15Å; L479-N510 PolarHBondContact O-ND2 3.24Å; L481-N510 HydrophobicContact CB-CB 4.06Å; L481-N510 PolarHBondContact N-ND2 3.33Å; V504-N510 WeakPolarHBondContact O-CA 3.45Å; L505-N510 VanDerWaalsContact CA-OD1 3.23Å; L505-N510 WeakPolarHBondContact CA-OD1 3.44Å; L505-N510 HydrophobicContact CD2-CB 4.22Å; L505-N510 VanDerWaalsContact CD2-OD1 3.32Å; L505-N510 WeakPolarHBondContact CD2-OD1 3.33Å; H506-N510 PolarHBondContact N-OD1 3.34Å; H506-N510 VanDerWaalsContact N-OD1 3.1Å; H506-N510 PolarHBondContact O-OD1 3.06Å
511	I	95.3	Very high	92.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.3	-178.9	-59.7	174.3	0	0	0	109.3	V475 F476 V503 V504 I509 V513 F583 W592 A595	V475-I511 HydrophobicContact CG1-CG2 4.03Å; F476-I511 WeakPolarHBondContact O-CA 3.34Å; V503-I511 CarbonylContact C-O 3.6Å; V503-I511 VanDerWaalsContact CA-O 3.32Å; V503-I511 WeakPolarHBondContact CA-O 3.42Å; V504-I511 PolarHBondContact N-O 3.23Å; V504-I511 PolarHBondContact O-N 3.03Å; I509-I511 HydrophobicContact CG2-CD1 4.24Å; I509-I511 HydrophobicContact CG2-CG1 3.96Å; I511-V513 HydrophobicContact CG2-CG2 3.81Å; I511-F583 HydrophobicContact CG2-CZ 4.24Å; I511-W592 HydrophobicContact CD1-CD2 4.06Å; I511-W592 HydrophobicContact CD1-CE3 3.32Å; I511-W592 HydrophobicContact CD1-CH2 4.46Å; I511-W592 HydrophobicContact CD1-CZ3 3.54Å; I511-W592 HydrophobicContact CG1-CE3 4.45Å; I511-W592 HydrophobicContact CG1-CZ3 4.31Å; I511-A595 HydrophobicContact CD1-CB 3.33Å; I511-A595 HydrophobicContact CG1-CB 3.84Å
512	V	96.7	Very high	92.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	107.8	175.7	-179.9	0	0	0	0	107.9	F476 L481 I490 V503 V514 F524 M528 F568	F476-V512 HydrophobicContact CB-CB 4.26Å; F476-V512 PolarHBondContact N-O 2.96Å; F476-V512 PolarHBondContact O-N 2.93Å; L481-V512 HydrophobicContact CD2-CG2 4.3Å; I490-V512 HydrophobicContact CG2-CG1 4.23Å; V503-V512 HydrophobicContact CG1-CG2 4.05Å; V503-V512 HydrophobicContact CG2-CB 4.46Å; V503-V512 HydrophobicContact CG2-CG1 4.09Å; V503-V512 HydrophobicContact CG2-CG2 4.07Å; V512-V514 HydrophobicContact CG1-CG2 3.76Å; V512-F524 HydrophobicContact CG1-CE1 4.21Å; V512-F524 HydrophobicContact CG1-CZ 4.38Å; V512-M528 HydrophobicContact CB-CE 4.28Å; V512-M528 HydrophobicContact CG1-CE 4.3Å; V512-M528 HydrophobicContact CG2-CE 4.09Å; V512-F568 HydrophobicContact CG1-CZ 4.3Å
513	V	97.2	Very high	92.7	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	133.2	174.4	-176.2	0	0	0	0	109.5	V473 V475 G501 I502 I511 F565 F583 Y591	V473-V513 HydrophobicContact CG1-CG1 4.06Å; V475-V513 HydrophobicContact CG1-CG2 4.19Å; V475-V513 HydrophobicContact CG2-CG1 4.23Å; V475-V513 HydrophobicContact CG2-CG2 4.06Å; G501-V513 CarbonylContact C-O 3.59Å; G501-V513 VanDerWaalsContact CA-O 3.25Å; G501-V513 WeakPolarHBondContact CA-O 3.44Å; I502-V513 HydrophobicContact CG2-CB 4.35Å; I502-V513 PolarHBondContact N-O 3.29Å; I502-V513 PolarHBondContact O-N 3.05Å; I511-V513 HydrophobicContact CG2-CG2 3.81Å; V513-F565 HydrophobicContact CB-CE2 4.28Å; V513-F565 HydrophobicContact CG1-CD2 4.46Å; V513-F565 HydrophobicContact CG1-CE2 3.7Å; V513-F565 HydrophobicContact CG1-CZ 4.39Å; V513-F583 HydrophobicContact CB-CE1 4.38Å; V513-F583 HydrophobicContact CG2-CE1 3.59Å; V513-F583 HydrophobicContact CG2-CZ 3.9Å; V513-Y591 HydrophobicContact CG1-CD2 3.96Å; V513-Y591 HydrophobicContact CG1-CE2 4.22Å; V513-Y591 HydrophobicContact CG2-CD2 4.41Å
514	V	97	Very high	92.7	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	121.6	-167.1	-178.2	0	0	0	0	107.4	V473 A474 F476 I499 V512 I521 F524 F568	V473-V514 CarbonylContact C-O 3.56Å; V473-V514 VanDerWaalsContact CA-O 3.24Å; V473-V514 WeakPolarHBondContact CA-O 3.49Å; A474-V514 PolarHBondContact N-O 3.37Å; A474-V514 PolarHBondContact O-N 2.93Å; F476-V514 HydrophobicContact CD2-CG2 4.22Å; F476-V514 HydrophobicContact CE2-CG2 4.13Å; I499-V514 HydrophobicContact CB-CG1 4.49Å; I499-V514 HydrophobicContact CD1-CG1 3.99Å; I499-V514 HydrophobicContact CG2-CB 4.28Å; I499-V514 HydrophobicContact CG2-CG1 3.29Å; V512-V514 HydrophobicContact CG1-CG2 3.76Å; V514-I521 HydrophobicContact CB-CD1 4.18Å; V514-I521 HydrophobicContact CG1-CD1 3.45Å; V514-I521 VanDerWaalsContact CG1-CD1 3.45Å; V514-F524 HydrophobicContact CB-CD1 4.35Å; V514-F524 HydrophobicContact CB-CE1 4.43Å; V514-F524 HydrophobicContact CG1-CB 4.34Å; V514-F524 HydrophobicContact CG1-CD1 3.8Å; V514-F524 HydrophobicContact CG1-CD2 4.44Å; V514-F524 HydrophobicContact CG1-CE1 4.2Å; V514-F524 HydrophobicContact CG1-CG 3.93Å; V514-F524 HydrophobicContact CG2-CD1 3.72Å; V514-F524 HydrophobicContact CG2-CE1 3.38Å; V514-F524 HydrophobicContact CG2-CZ 3.96Å; V514-F568 HydrophobicContact CG2-CE2 4.46Å
515	E	95	Very high	92.8	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.7	-179.2	-57.4	-165.8	153.6	0	0	110	T471 H472 V473 H500 R563 A564 F565	T471-E515 HydrophobicContact CG2-CB 3.77Å; H472-E515 WeakPolarHBondContact O-CA 3.32Å; V473-E515 HydrophobicContact CB-CG 4.49Å; V473-E515 HydrophobicContact CG1-CG 4.14Å; V473-E515 HydrophobicContact CG2-CB 4.35Å; V473-E515 HydrophobicContact CG2-CG 3.81Å; H500-E515 HydrophobicContact CB-CB 4.48Å; H500-E515 PolarHBondContact N-O 3.25Å; H500-E515 PolarHBondContact O-N 2.91Å; E515-R563 WeakPolarHBondContact OE2-CA 3.16Å; E515-A564 PolarHBondContact OE1-N 2.96Å; E515-A564 PolarHBondContact OE2-N 3.42Å; E515-F565 VanDerWaalsContact CD-CD2 3.44Å; E515-F565 HydrophobicContact CG-CD2 3.92Å; E515-F565 HydrophobicContact CG-CE2 4.49Å; E515-F565 PolarHBondContact OE2-N 3.34Å; E515-F565 VanDerWaalsContact OE2-N 3.1Å
516	G	93.4	Very high	92.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	-173.7	-176.7	0	0	0	0	0	113.6	H472	H472-G516 WeakPolarHBondContact CA-O 3.37Å; H472-G516 WeakPolarHBondContact CB-O 3.39Å; H472-G516 PolarHBondContact N-O 3.38Å; H472-G516 PolarHBondContact O-N 2.98Å; H472-G516 VanDerWaalsContact O-O 3.11Å
517	G	92.3	Very high	93.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	20%	0.203	C	C	.	.			trans	-72.4	161.3	165.5	0	0	0	0	0	112.2	K519 Q520 I521	G517-K519 VanDerWaalsContact C-N 3.29Å; G517-K519 PolarHBondContact O-N 3.24Å; G517-K519 VanDerWaalsContact O-N 3.17Å; G517-Q520 WeakPolarHBondContact O-CB 3.32Å; G517-Q520 PolarHBondContact O-N 3.26Å; G517-I521 PolarHBondContact O-N 2.82Å
518	P	92.3	Very high	94	Very high	49 Å²	49	38 Å²	38	32%	0.318	17%	0.167	S	C	.	.	H	α-helix	trans	-60	-35.1	-172.3	20.6	-31.6	0	0	0	113.6	R522	P518-R522 WeakPolarHBondContact O-CB 3.21Å; P518-R522 PolarHBondContact O-N 3.26Å
519	K	91.8	Very high	94.8	Very high	113 Å²	113	36.6 Å²	36.6	49%	0.491	16%	0.158	S	C	.	.	H	α-helix	trans	-69.3	-38.8	178.4	-59.8	-165.8	-164.3	91.3	0	112.3	D466 G517 F523	D466-K519 IonicContact OD1-NZ 3.3Å; D466-K519 PolarHBondContact OD1-NZ 2.92Å; D466-K519 WeakPolarHBondContact OD2-CD 3.25Å; D466-K519 IonicContact OD2-NZ 3.84Å; D466-K519 PolarHBondContact OD2-NZ 2.88Å; G517-K519 VanDerWaalsContact C-N 3.29Å; G517-K519 PolarHBondContact O-N 3.24Å; G517-K519 VanDerWaalsContact O-N 3.17Å; K519-F523 PolarHBondContact O-N 3.48Å; K519-F523 VanDerWaalsContact O-N 3.13Å
520	Q	93.5	Very high	95	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.009	18%	0.182	C	C	.	.	H	α-helix	trans	-65.8	-49.1	178.2	-66.5	163.2	-28.9	0	0	109.5	Y463 L497 N498 I499 G517 R522 F523 F524	Y463-Q520 HydrophobicContact CD1-CG 4.14Å; Y463-Q520 VanDerWaalsContact CD1-NE2 3.31Å; Y463-Q520 HydrophobicContact CE1-CG 4.2Å; Y463-Q520 VanDerWaalsContact CG-NE2 3.35Å; L497-Q520 HydrophobicContact CB-CG 4.4Å; L497-Q520 WeakPolarHBondContact O-CG 3.44Å; L497-Q520 PolarHBondContact O-NE2 3.32Å; N498-Q520 PolarHBondContact O-NE2 3.44Å; I499-Q520 HydrophobicContact CD1-CB 3.97Å; I499-Q520 HydrophobicContact CG1-CB 3.78Å; I499-Q520 HydrophobicContact CG1-CG 4.42Å; G517-Q520 WeakPolarHBondContact O-CB 3.32Å; G517-Q520 PolarHBondContact O-N 3.26Å; Q520-R522 PolarHBondContact O-N 3.15Å; Q520-F523 PolarHBondContact O-N 3.25Å; Q520-F524 WeakPolarHBondContact O-CB 3.46Å; Q520-F524 PolarHBondContact O-N 3.01Å
521	I	94.8	Very high	95.1	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-61	-44.1	178	-61.1	-60.4	0	0	0	111.3	H472 A474 V514 G517 F523 F524 K525	H472-I521 HydrophobicContact CB-CB 4.34Å; H472-I521 HydrophobicContact CB-CG1 3.71Å; H472-I521 WeakPolarHBondContact O-CG1 3.47Å; A474-I521 HydrophobicContact CB-CG2 3.87Å; V514-I521 HydrophobicContact CB-CD1 4.18Å; V514-I521 HydrophobicContact CG1-CD1 3.45Å; V514-I521 VanDerWaalsContact CG1-CD1 3.45Å; G517-I521 PolarHBondContact O-N 2.82Å; I521-F523 VanDerWaalsContact C-N 3.34Å; I521-F523 PolarHBondContact O-N 2.88Å; I521-F524 PolarHBondContact O-N 2.89Å; I521-F524 VanDerWaalsContact O-N 3.15Å; I521-K525 WeakPolarHBondContact O-CB 3.48Å; I521-K525 PolarHBondContact O-N 3.14Å
522	R	94.8	Very high	95.1	Very high	191 Å²	191	48.1 Å²	48.1	72%	0.721	21%	0.205	S	C	*	.	H	α-helix	trans	-59.9	-41.5	176.4	-173.2	178.2	-177.8	-173.7	2.6	112.8	P518 Q520 R526	P518-R522 WeakPolarHBondContact O-CB 3.21Å; P518-R522 PolarHBondContact O-N 3.26Å; Q520-R522 PolarHBondContact O-N 3.15Å; R522-R526 PolarHBondContact O-N 3.47Å
523	F	95.6	Very high	94.9	Very high	89 Å²	89	57.5 Å²	57.5	39%	0.39	24%	0.241	S	C	.	.	H	α-helix	trans	-66.8	-41.8	175.8	-177.9	-83.5	0	0	0	111.3	L497 K519 Q520 I521 R526 L527 R531	L497-F523 HydrophobicContact CD1-CD1 3.35Å; L497-F523 HydrophobicContact CD1-CE1 3.86Å; L497-F523 HydrophobicContact CD1-CG 4.25Å; L497-F523 HydrophobicContact CD2-CD1 4.07Å; L497-F523 HydrophobicContact CD2-CE1 4.4Å; L497-F523 HydrophobicContact CD2-CG 4.42Å; L497-F523 HydrophobicContact CG-CD1 4.28Å; K519-F523 PolarHBondContact O-N 3.48Å; K519-F523 VanDerWaalsContact O-N 3.13Å; Q520-F523 PolarHBondContact O-N 3.25Å; I521-F523 VanDerWaalsContact C-N 3.34Å; I521-F523 PolarHBondContact O-N 2.88Å; F523-R526 PolarHBondContact O-N 3.24Å; F523-L527 PolarHBondContact O-N 3.27Å; F523-R531 VanDerWaalsContact CZ-NH1 3.31Å
524	F	96.8	Very high	94.6	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-68.1	-42.5	-179.8	-162	-85.8	0	0	0	112.2	F476 I490 A494 L497 I499 V512 V514 Q520 I521 R526 L527 M528	F476-F524 AromaticContact CE2-CD1 3.98Å; F476-F524 HydrophobicContact CE2-CD1 3.98Å; F476-F524 HydrophobicContact CE2-CE1 4.23Å; I490-F524 HydrophobicContact CG2-CZ 4.14Å; A494-F524 HydrophobicContact CB-CE2 4.07Å; L497-F524 HydrophobicContact CD1-CD2 4.42Å; I499-F524 HydrophobicContact CD1-CB 3.81Å; I499-F524 HydrophobicContact CD1-CD2 3.69Å; I499-F524 HydrophobicContact CD1-CG 3.98Å; V512-F524 HydrophobicContact CG1-CE1 4.21Å; V512-F524 HydrophobicContact CG1-CZ 4.38Å; V514-F524 HydrophobicContact CB-CD1 4.35Å; V514-F524 HydrophobicContact CB-CE1 4.43Å; V514-F524 HydrophobicContact CG1-CB 4.34Å; V514-F524 HydrophobicContact CG1-CD1 3.8Å; V514-F524 HydrophobicContact CG1-CD2 4.44Å; V514-F524 HydrophobicContact CG1-CE1 4.2Å; V514-F524 HydrophobicContact CG1-CG 3.93Å; V514-F524 HydrophobicContact CG2-CD1 3.72Å; V514-F524 HydrophobicContact CG2-CE1 3.38Å; V514-F524 HydrophobicContact CG2-CZ 3.96Å; Q520-F524 WeakPolarHBondContact O-CB 3.46Å; Q520-F524 PolarHBondContact O-N 3.01Å; I521-F524 PolarHBondContact O-N 2.89Å; I521-F524 VanDerWaalsContact O-N 3.15Å; F524-R526 VanDerWaalsContact C-N 3.32Å; F524-R526 PolarHBondContact O-N 2.83Å; F524-L527 HydrophobicContact CD2-CD2 4.36Å; F524-L527 HydrophobicContact CE2-CD2 4.31Å; F524-L527 WeakPolarHBondContact O-CA 3.46Å; F524-L527 VanDerWaalsContact O-CB 3.3Å; F524-L527 WeakPolarHBondContact O-CB 3.38Å; F524-L527 PolarHBondContact O-N 3.3Å; F524-M528 HydrophobicContact CD1-CG 3.67Å; F524-M528 HydrophobicContact CE1-CG 3.37Å; F524-M528 HydrophobicContact CE1-SD 3.84Å; F524-M528 HydrophobicContact CZ-CG 4.23Å; F524-M528 HydrophobicContact CZ-SD 4.21Å; F524-M528 WeakPolarHBondContact O-CG 3.29Å; F524-M528 PolarHBondContact O-N 3.33Å
525	K	97.2	Very high	94	Very high	62 Å²	62	63.6 Å²	63.6	27%	0.27	27%	0.269	S	S	.	.	H	α-helix	trans	-55.4	-46	170.8	-179.3	173.7	176.5	167.1	0	111.4	F476 I521 L527 M528 M529 L554 E557	F476-K525 HydrophobicContact CE1-CG 4.43Å; F476-K525 HydrophobicContact CZ-CB 4.13Å; F476-K525 HydrophobicContact CZ-CG 4.39Å; I521-K525 WeakPolarHBondContact O-CB 3.48Å; I521-K525 PolarHBondContact O-N 3.14Å; K525-L527 VanDerWaalsContact C-N 3.33Å; K525-L527 PolarHBondContact O-N 2.85Å; K525-M528 PolarHBondContact O-N 2.92Å; K525-M529 HydrophobicContact CD-SD 4.33Å; K525-M529 HydrophobicContact CG-CG 4.39Å; K525-M529 HydrophobicContact CG-SD 3.69Å; K525-M529 WeakPolarHBondContact O-CB 3.42Å; K525-M529 WeakPolarHBondContact O-CG 3.37Å; K525-M529 PolarHBondContact O-N 3.3Å; K525-L554 HydrophobicContact CD-CD2 4.2Å; K525-E557 IonicContact NZ-OE2 3.38Å; K525-E557 PolarHBondContact NZ-OE2 3Å
526	R	97.3	Very high	92.7	Very high	159 Å²	159	68 Å²	68	60%	0.6	29%	0.292	S	S	*	.	H	α-helix	trans	-64	-36.7	174.6	179	175.7	-83.8	-174.6	-6.7	112.5	R522 F523 F524 H530 R531	R522-R526 PolarHBondContact O-N 3.47Å; F523-R526 PolarHBondContact O-N 3.24Å; F524-R526 VanDerWaalsContact C-N 3.32Å; F524-R526 PolarHBondContact O-N 2.83Å; R526-H530 WeakPolarHBondContact O-CB 3.39Å; R526-H530 PolarHBondContact O-N 3.33Å; R526-H530 VanDerWaalsContact O-N 3.1Å; R526-R531 PolarHBondContact O-N 3.16Å
527	L	97	Very high	91.1	Very high	4 Å²	4	72.2 Å²	72.2	2%	0.021	33%	0.327	C	S	.	.	I	π-helix	trans	-60.9	-52.9	173.8	174.4	72.5	0	0	0	110.8	N493 F523 F524 K525 R531 I532	N493-L527 HydrophobicContact CB-CD2 3.42Å; N493-L527 VanDerWaalsContact CB-CD2 3.42Å; N493-L527 VanDerWaalsContact CG-CD2 3.43Å; F523-L527 PolarHBondContact O-N 3.27Å; F524-L527 HydrophobicContact CD2-CD2 4.36Å; F524-L527 HydrophobicContact CE2-CD2 4.31Å; F524-L527 WeakPolarHBondContact O-CA 3.46Å; F524-L527 VanDerWaalsContact O-CB 3.3Å; F524-L527 WeakPolarHBondContact O-CB 3.38Å; F524-L527 PolarHBondContact O-N 3.3Å; K525-L527 VanDerWaalsContact C-N 3.33Å; K525-L527 PolarHBondContact O-N 2.85Å; L527-R531 HydrophobicContact CD1-CB 4.16Å; L527-R531 PolarHBondContact O-N 3.33Å; L527-I532 HydrophobicContact CD1-CD1 4.27Å; L527-I532 HydrophobicContact CD1-CG1 4.08Å; L527-I532 HydrophobicContact CG-CD1 4.03Å; L527-I532 HydrophobicContact CG-CG1 4.27Å; L527-I532 WeakPolarHBondContact O-CG1 3.27Å; L527-I532 PolarHBondContact O-N 3.47Å
528	M	96.2	Very high	89.4	Confident	0 Å²	0	80.1 Å²	80.1	0%	0	37%	0.369	C	S	.	.	I	π-helix	trans	-65.2	-47.7	-177.4	-68.3	-61.2	-78.6	0	0	111.9	F476 V478 I490 V512 F524 K525 I532 W534	F476-M528 HydrophobicContact CB-CE 4.22Å; F476-M528 HydrophobicContact CD1-CB 4.16Å; F476-M528 HydrophobicContact CD2-CG 4.33Å; F476-M528 HydrophobicContact CE1-CB 4.02Å; F476-M528 HydrophobicContact CE1-CG 4.45Å; F476-M528 HydrophobicContact CE2-CG 4.28Å; F476-M528 HydrophobicContact CG-CE 4.34Å; F476-M528 HydrophobicContact CG-CG 4.46Å; F476-M528 HydrophobicContact CZ-CB 4.31Å; F476-M528 HydrophobicContact CZ-CG 4.35Å; V478-M528 HydrophobicContact CG2-CE 4.13Å; I490-M528 HydrophobicContact CD1-CE 4.04Å; I490-M528 HydrophobicContact CD1-SD 4.04Å; I490-M528 HydrophobicContact CG1-CE 4.34Å; I490-M528 HydrophobicContact CG1-SD 3.69Å; V512-M528 HydrophobicContact CB-CE 4.28Å; V512-M528 HydrophobicContact CG1-CE 4.3Å; V512-M528 HydrophobicContact CG2-CE 4.09Å; F524-M528 HydrophobicContact CD1-CG 3.67Å; F524-M528 HydrophobicContact CE1-CG 3.37Å; F524-M528 HydrophobicContact CE1-SD 3.84Å; F524-M528 HydrophobicContact CZ-CG 4.23Å; F524-M528 HydrophobicContact CZ-SD 4.21Å; F524-M528 WeakPolarHBondContact O-CG 3.29Å; F524-M528 PolarHBondContact O-N 3.33Å; K525-M528 PolarHBondContact O-N 2.92Å; M528-I532 HydrophobicContact SD-CD1 4.16Å; M528-W534 HydrophobicContact CE-CH2 3.95Å; M528-W534 HydrophobicContact CE-CZ2 3.66Å; M528-W534 PolarHBondContact O-NE1 3.3Å; M528-W534 HydrophobicContact SD-CH2 4.44Å; M528-W534 HydrophobicContact SD-CZ2 3.96Å
529	M	94.3	Very high	87.4	Confident	78 Å²	78	84.8 Å²	84.8	38%	0.384	39%	0.388	S	S	.	.	I	π-helix	trans	-84.7	-31.8	-171.6	-62.1	-178.2	76	0	0	114.1	F476 K525 L554	F476-M529 HydrophobicContact CE1-CG 4.41Å; K525-M529 HydrophobicContact CD-SD 4.33Å; K525-M529 HydrophobicContact CG-CG 4.39Å; K525-M529 HydrophobicContact CG-SD 3.69Å; K525-M529 WeakPolarHBondContact O-CB 3.42Å; K525-M529 WeakPolarHBondContact O-CG 3.37Å; K525-M529 PolarHBondContact O-N 3.3Å; M529-L554 HydrophobicContact SD-CB 4.39Å
530	H	94.1	Very high	85.3	Confident	123 Å²	123	85.7 Å²	85.7	57%	0.569	41%	0.406	S	S	*	.	I	π-helix	trans	-119.8	-36.1	-169.1	-58.7	-60.6	0	0	0	114.8	R526	R526-H530 WeakPolarHBondContact O-CB 3.39Å; R526-H530 PolarHBondContact O-N 3.33Å; R526-H530 VanDerWaalsContact O-N 3.1Å
531	R	95.1	Very high	83.7	Confident	133 Å²	133	89.4 Å²	89.4	50%	0.502	45%	0.445	S	S	.	.	I	π-helix	trans	-88.3	-37	-172.9	-63.4	174.9	60.1	-152.8	-2.4	112.5	F523 R526 L527	F523-R531 VanDerWaalsContact CZ-NH1 3.31Å; R526-R531 PolarHBondContact O-N 3.16Å; L527-R531 HydrophobicContact CD1-CB 4.16Å; L527-R531 PolarHBondContact O-N 3.33Å
532	I	94.4	Very high	81.8	Confident	4 Å²	4	97 Å²	97	2%	0.021	48%	0.478	C	S	.	.	S	Bend	trans	-80.5	119.3	172.7	-63	175.3	0	0	0	107.7	K486 K489 I490 L527 M528 W534	K486-I532 HydrophobicContact CB-CG2 4.46Å; K486-I532 HydrophobicContact CD-CG2 4.28Å; K486-I532 HydrophobicContact CG-CG2 3.93Å; K489-I532 HydrophobicContact CB-CD1 4.26Å; K489-I532 HydrophobicContact CD-CG1 4.39Å; I490-I532 HydrophobicContact CG1-CD1 4.14Å; L527-I532 HydrophobicContact CD1-CD1 4.27Å; L527-I532 HydrophobicContact CD1-CG1 4.08Å; L527-I532 HydrophobicContact CG-CD1 4.03Å; L527-I532 HydrophobicContact CG-CG1 4.27Å; L527-I532 WeakPolarHBondContact O-CG1 3.27Å; L527-I532 PolarHBondContact O-N 3.47Å; M528-I532 HydrophobicContact SD-CD1 4.16Å; I532-W534 HydrophobicContact CB-CZ2 4.14Å; I532-W534 HydrophobicContact CD1-CZ2 4.18Å; I532-W534 HydrophobicContact CG2-CD2 3.84Å; I532-W534 HydrophobicContact CG2-CE3 4.15Å; I532-W534 HydrophobicContact CG2-CG 4.41Å; I532-W534 HydrophobicContact CG2-CH2 4.12Å; I532-W534 HydrophobicContact CG2-CZ2 3.76Å; I532-W534 HydrophobicContact CG2-CZ3 4.26Å; I532-W534 PolarHBondContact O-N 3.28Å
533	R	92.3	Very high	79.7	Confident	197 Å²	197	96.7 Å²	96.7	74%	0.743	48%	0.484	S	S	*	.			trans	-81.4	109.2	169.4	-58.6	-59.8	-174.2	178.7	1.9	107.3	K486	K486-R533 VanDerWaalsContact CE-O 3.29Å; K486-R533 WeakPolarHBondContact CE-O 3.47Å
534	W	90.6	Very high	77.6	Confident	16 Å²	16	102.3 Å²	102.3	6%	0.061	51%	0.509	C	S	.	.			trans	-78.5	-42.2	-177.7	-67.3	102.8	0	0	0	112.3	V478 L481 K486 I490 M528 I532 D536 N550 C552	V478-W534 HydrophobicContact CB-CZ3 4.36Å; V478-W534 HydrophobicContact CG1-CD2 4.42Å; V478-W534 HydrophobicContact CG1-CE3 3.63Å; V478-W534 HydrophobicContact CG1-CH2 3.98Å; V478-W534 HydrophobicContact CG1-CZ3 3.39Å; V478-W534 HydrophobicContact CG2-CH2 3.72Å; V478-W534 HydrophobicContact CG2-CZ2 4.1Å; V478-W534 HydrophobicContact CG2-CZ3 4.04Å; L481-W534 HydrophobicContact CD1-CH2 4.05Å; L481-W534 HydrophobicContact CD1-CZ3 3.79Å; K486-W534 HydrophobicContact CB-CZ3 4.38Å; K486-W534 HydrophobicContact CD-CE3 4.08Å; K486-W534 HydrophobicContact CD-CZ3 4.21Å; K486-W534 PolarHBondContact NZ-O 2.88Å; I490-W534 HydrophobicContact CD1-CH2 3.9Å; M528-W534 HydrophobicContact CE-CH2 3.95Å; M528-W534 HydrophobicContact CE-CZ2 3.66Å; M528-W534 PolarHBondContact O-NE1 3.3Å; M528-W534 HydrophobicContact SD-CH2 4.44Å; M528-W534 HydrophobicContact SD-CZ2 3.96Å; I532-W534 HydrophobicContact CB-CZ2 4.14Å; I532-W534 HydrophobicContact CD1-CZ2 4.18Å; I532-W534 HydrophobicContact CG2-CD2 3.84Å; I532-W534 HydrophobicContact CG2-CE3 4.15Å; I532-W534 HydrophobicContact CG2-CG 4.41Å; I532-W534 HydrophobicContact CG2-CH2 4.12Å; I532-W534 HydrophobicContact CG2-CZ2 3.76Å; I532-W534 HydrophobicContact CG2-CZ3 4.26Å; I532-W534 PolarHBondContact O-N 3.28Å; W534-D536 PolarHBondContact O-N 2.93Å; W534-N550 CarbonylContact C-O 3.56Å; W534-N550 VanDerWaalsContact CB-O 3.28Å; W534-N550 WeakPolarHBondContact CB-O 3.34Å; W534-N550 PolarHBondContact O-ND2 3.03Å; W534-C552 HydrophobicContact CD2-CB 3.88Å; W534-C552 HydrophobicContact CG-CB 3.94Å; W534-C552 HydrophobicContact CZ2-CB 3.9Å
535	Q	84.9	Confident	75.5	Confident	113 Å²	113	106.3 Å²	106.3	53%	0.528	54%	0.537	S	S	.	.	S	Bend	trans	-64.6	125.5	168.2	-63.1	174.2	5.9	0	0	108.2	A537 N550	Q535-A537 PolarHBondContact O-N 2.9Å; Q535-N550 WeakPolarHBondContact CG-O 3.49Å; Q535-N550 PolarHBondContact N-O 3.45Å
536	D	68.4	Low	73.7	Confident	94 Å²	94	111.6 Å²	111.6	50%	0.503	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-64.5	129.4	169.6	-68.2	-18.4	0	0	0	106.9	K486 W534 D538	K486-D536 IonicContact NZ-OD1 3.1Å; K486-D536 PolarHBondContact NZ-OD1 2.88Å; W534-D536 PolarHBondContact O-N 2.93Å; D536-D538 PolarHBondContact O-N 3.14Å
537	A	60.3	Low	72	Confident	88 Å²	88	110.4 Å²	110.4	73%	0.727	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-56.1	131.4	171.6	0	0	0	0	0	107.5	Q535 M539	Q535-A537 PolarHBondContact O-N 2.9Å; A537-M539 VanDerWaalsContact C-N 3.32Å; A537-M539 PolarHBondContact O-N 3.01Å
538	D	55.5	Low	70.6	Confident	165 Å²	165	114.6 Å²	114.6	88%	0.882	60%	0.599	S	S	*	*			trans	-47.1	95.2	-176.9	-64.4	-48.5	0	0	0	110.1	D536 P540	D536-D538 PolarHBondContact O-N 3.14Å; D538-P540 WeakPolarHBondContact O-CD 3.36Å
539	M	51.3	Low	69.7	Low	147 Å²	147	122.4 Å²	122.4	72%	0.724	63%	0.632	S	S	*	*			trans	-75.3	117.2	171.8	-80	-72.9	-73.3	0	0	105.2	A537 G541 K542	A537-M539 VanDerWaalsContact C-N 3.32Å; A537-M539 PolarHBondContact O-N 3.01Å; M539-G541 PolarHBondContact O-N 2.94Å; M539-K542 PolarHBondContact O-N 2.92Å
540	P	48	Very low	69.3	Low	133 Å²	133	119.8 Å²	119.8	86%	0.864	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	112.2	179.1	24.6	-31.7	0	0	0	108.1	D538	D538-P540 WeakPolarHBondContact O-CD 3.36Å
541	G	59.8	Low	69.1	Low	80 Å²	80	118.1 Å²	118.1	83%	0.825	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	125.1	-5.8	179.8	0	0	0	0	0	116.6	M539	M539-G541 PolarHBondContact O-N 2.94Å
542	K	53.3	Low	69	Low	162 Å²	162	112.3 Å²	112.3	70%	0.704	59%	0.591	S	S	*	*			trans	-86	108.6	160.7	-94.6	-177.8	175.6	-179.5	0	108	M539 K544	M539-K542 PolarHBondContact O-N 2.92Å; K542-K544 PolarHBondContact O-N 2.95Å
543	E	51.1	Low	68.9	Low	183 Å²	183	113.3 Å²	113.3	86%	0.855	59%	0.594	S	S	*	*			trans	-46.3	138	166.5	-70.5	-178.9	161	0	0	109	S545	E543-S545 PolarHBondContact O-N 3.06Å
544	K	51.3	Low	69	Low	207 Å²	207	106.3 Å²	106.3	90%	0.9	57%	0.572	S	S	*	*			trans	-62.2	81.4	174.8	-67.2	176.9	-179.9	175	0	108	K542	K542-K544 PolarHBondContact O-N 2.95Å
545	S	54.1	Low	69.2	Low	85 Å²	85	107.4 Å²	107.4	59%	0.594	58%	0.578	S	S	*	*			trans	-66.7	136.3	168.1	54	0	0	0	0	107.3	E543 M547	E543-S545 PolarHBondContact O-N 3.06Å; S545-M547 PolarHBondContact O-N 2.7Å
546	D	58.1	Low	69.7	Low	172 Å²	172	106 Å²	106	92%	0.92	57%	0.568	S	S	*	*	S	Bend	trans	-64.2	23.2	179.2	-66.6	-44.7	0	0	0	113.8
547	M	61.3	Low	71	Confident	135 Å²	135	105.4 Å²	105.4	67%	0.665	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-75.2	137.1	177.7	-67.6	-67.3	-70.1	0	0	109.8	S545 K549	S545-M547 PolarHBondContact O-N 2.7Å; M547-K549 PolarHBondContact O-N 2.62Å
548	P	67.7	Low	72.6	Confident	92 Å²	92	102 Å²	102	60%	0.597	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-58.5	135.1	-179.6	24	-33.2	0	0	0	110.5	L479 N550	L479-P548 HydrophobicContact CD1-CB 4.29Å; P548-N550 PolarHBondContact O-N 3.45Å; P548-N550 VanDerWaalsContact O-N 3.14Å
549	K	77.6	Confident	74.4	Confident	164 Å²	164	98.3 Å²	98.3	71%	0.713	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-56.3	121.3	179.6	-68.4	-178.6	-178.7	178.4	0	109.4	M547 K551	M547-K549 PolarHBondContact O-N 2.62Å; K549-K551 PolarHBondContact O-N 2.75Å; K549-K551 VanDerWaalsContact O-N 3.1Å
550	N	86.9	Confident	76.3	Confident	23 Å²	23	93.3 Å²	93.3	12%	0.123	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-59.2	118.4	-180	-170.6	14.3	0	0	0	110.6	D480 W534 Q535 P548	D480-N550 PolarHBondContact N-OD1 3.46Å; D480-N550 PolarHBondContact O-ND2 2.64Å; W534-N550 CarbonylContact C-O 3.56Å; W534-N550 VanDerWaalsContact CB-O 3.28Å; W534-N550 WeakPolarHBondContact CB-O 3.34Å; W534-N550 PolarHBondContact O-ND2 3.03Å; Q535-N550 WeakPolarHBondContact CG-O 3.49Å; Q535-N550 PolarHBondContact N-O 3.45Å; P548-N550 PolarHBondContact O-N 3.45Å; P548-N550 VanDerWaalsContact O-N 3.14Å
551	K	88.6	Confident	78.1	Confident	88 Å²	88	94.3 Å²	94.3	38%	0.383	49%	0.487	S	S	.	.			trans	-136.6	151.3	-179	-174.5	171.4	165	-160.6	0	109.2	K549 Y553	K549-K551 PolarHBondContact O-N 2.75Å; K549-K551 VanDerWaalsContact O-N 3.1Å; K551-Y553 HydrophobicContact CB-CE2 3.91Å; K551-Y553 HydrophobicContact CD-CE1 3.82Å; K551-Y553 HydrophobicContact CD-CE2 4.44Å; K551-Y553 HydrophobicContact CG-CE1 4.2Å; K551-Y553 HydrophobicContact CG-CE2 4.11Å
552	C	92.5	Very high	79.4	Confident	11 Å²	11	98.1 Å²	98.1	7%	0.074	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.3	174.3	176.6	0	0	0	0	109.1	R477 V478 W534	R477-C552 CarbonylContact O-C 3.57Å; R477-C552 WeakPolarHBondContact O-CA 3.46Å; V478-C552 HydrophobicContact CG2-CB 4.07Å; W534-C552 HydrophobicContact CD2-CB 3.88Å; W534-C552 HydrophobicContact CG-CB 3.94Å; W534-C552 HydrophobicContact CZ2-CB 3.9Å
553	Y	93.2	Very high	81.1	Confident	25 Å²	25	97.3 Å²	97.3	10%	0.098	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	138	-179.1	-60.2	-86.9	0	0	0	109.2	F476 R477 K551	F476-Y553 CarbonylContact C-O 3.57Å; F476-Y553 WeakPolarHBondContact CA-O 3.35Å; R477-Y553 PolarHBondContact N-O 2.99Å; R477-Y553 PolarHBondContact O-N 3.45Å; K551-Y553 HydrophobicContact CB-CE2 3.91Å; K551-Y553 HydrophobicContact CD-CE1 3.82Å; K551-Y553 HydrophobicContact CD-CE2 4.44Å; K551-Y553 HydrophobicContact CG-CE1 4.2Å; K551-Y553 HydrophobicContact CG-CE2 4.11Å
554	L	95.4	Very high	83.1	Confident	50 Å²	50	90.2 Å²	90.2	26%	0.262	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	110.8	167.8	174	69.3	0	0	0	107.1	A474 F476 K525 M529 W556 E557	A474-L554 HydrophobicContact CB-CD1 4.24Å; F476-L554 HydrophobicContact CD1-CB 4.21Å; F476-L554 HydrophobicContact CD1-CD1 3.92Å; F476-L554 HydrophobicContact CE1-CB 4.18Å; F476-L554 HydrophobicContact CE1-CD1 3.55Å; F476-L554 HydrophobicContact CE1-CG 4.42Å; F476-L554 HydrophobicContact CZ-CD1 3.91Å; K525-L554 HydrophobicContact CD-CD2 4.2Å; M529-L554 HydrophobicContact SD-CB 4.39Å; L554-W556 WeakPolarHBondContact CD1-O 3.45Å; L554-E557 HydrophobicContact CD1-CB 4.42Å; L554-E557 HydrophobicContact CD2-CB 4.36Å
555	I	94.3	Very high	85.2	Confident	38 Å²	38	80.6 Å²	80.6	20%	0.195	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-43.6	-177.9	-60.8	161.4	0	0	0	110	V475 R477 M594 A595	V475-I555 HydrophobicContact CG1-CB 4.36Å; V475-I555 HydrophobicContact CG1-CD1 4.08Å; V475-I555 PolarHBondContact O-N 3.36Å; R477-I555 HydrophobicContact CB-CD1 3.34Å; R477-I555 HydrophobicContact CB-CG1 3.95Å; R477-I555 HydrophobicContact CG-CD1 4.48Å; I555-M594 HydrophobicContact CG2-CE 4.05Å; I555-M594 HydrophobicContact CG2-CG 3.65Å; I555-M594 HydrophobicContact CG2-SD 3.98Å; I555-A595 VanDerWaalsContact CD1-CA 3.47Å; I555-A595 HydrophobicContact CD1-CB 3.26Å
556	W	95.3	Very high	86.9	Confident	83 Å²	83	79.2 Å²	79.2	31%	0.314	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	143.3	-175.6	-174.9	79.1	0	0	0	111.7	V473 A474 V475 L554 V560 Y591 M594	V473-W556 HydrophobicContact CB-CH2 4.45Å; V473-W556 HydrophobicContact CB-CZ3 3.7Å; V473-W556 HydrophobicContact CG1-CE3 4.31Å; V473-W556 HydrophobicContact CG1-CZ3 3.77Å; A474-W556 CarbonylContact C-O 3.58Å; A474-W556 WeakPolarHBondContact CA-O 3.46Å; V475-W556 HydrophobicContact CB-CB 4.32Å; V475-W556 HydrophobicContact CG2-CE3 4.08Å; V475-W556 PolarHBondContact N-O 3.29Å; V475-W556 PolarHBondContact O-N 3.32Å; L554-W556 WeakPolarHBondContact CD1-O 3.45Å; W556-V560 HydrophobicContact CH2-CG2 3.96Å; W556-V560 HydrophobicContact CZ3-CG2 4.44Å; W556-Y591 HydrophobicContact CE3-CD1 4.39Å; W556-Y591 AromaticContact CE3-CE1 3.89Å; W556-Y591 HydrophobicContact CE3-CE1 3.89Å; W556-Y591 HydrophobicContact CH2-CE1 4.19Å; W556-Y591 HydrophobicContact CZ3-CD1 4.48Å; W556-Y591 AromaticContact CZ3-CE1 3.57Å; W556-Y591 HydrophobicContact CZ3-CE1 3.57Å; W556-Y591 AromaticContact CZ3-CZ 3.89Å; W556-M594 HydrophobicContact CB-CE 3.28Å; W556-M594 HydrophobicContact CB-SD 3.91Å; W556-M594 HydrophobicContact CD2-CE 4.36Å; W556-M594 HydrophobicContact CG-CE 3.68Å; W556-M594 HydrophobicContact CG-SD 4.21Å
557	E	95.6	Very high	88.5	Confident	83 Å²	83	76.2 Å²	76.2	39%	0.388	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	128.2	172.1	-177.5	174.7	-177.5	0	0	107.7	V473 K525 L554	V473-E557 WeakPolarHBondContact O-CA 3.45Å; K525-E557 IonicContact NZ-OE2 3.38Å; K525-E557 PolarHBondContact NZ-OE2 3Å; L554-E557 HydrophobicContact CD1-CB 4.42Å; L554-E557 HydrophobicContact CD2-CB 4.36Å
558	G	94.1	Very high	90.1	Very high	17 Å²	17	70 Å²	70	18%	0.175	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	-176.7	-176.5	0	0	0	0	0	113	H472 V473	H472-G558 CarbonylContact C-O 3.53Å; H472-G558 WeakPolarHBondContact CA-O 3.45Å; V473-G558 PolarHBondContact N-O 3.14Å; V473-G558 PolarHBondContact O-N 3.49Å
559	V	92.5	Very high	91.3	Very high	87 Å²	87	70.3 Å²	70.3	53%	0.527	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.7	177.5	-175.9	0	0	0	0	108.8	T471 H472	T471-V559 WeakPolarHBondContact O-CA 3.27Å; H472-V559 WeakPolarHBondContact CE1-CG2 3.31Å
560	V	91.3	Very high	92.1	Very high	42 Å²	42	64.4 Å²	64.4	26%	0.255	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	145.7	179	-174.9	0	0	0	0	109.1	T471 V473 W556 K562 Y591	T471-V560 PolarHBondContact N-O 2.9Å; T471-V560 PolarHBondContact O-N 3.04Å; V473-V560 HydrophobicContact CB-CG2 4.28Å; V473-V560 HydrophobicContact CG2-CB 4.08Å; V473-V560 HydrophobicContact CG2-CG2 3.58Å; W556-V560 HydrophobicContact CH2-CG2 3.96Å; W556-V560 HydrophobicContact CZ3-CG2 4.44Å; V560-K562 WeakPolarHBondContact CG1-O 3.41Å; V560-K562 PolarHBondContact O-N 3.01Å; V560-Y591 WeakPolarHBondContact CG2-OH 3.47Å
561	K	85.9	Confident	92.5	Very high	153 Å²	153	67.1 Å²	67.1	67%	0.665	33%	0.334	S	S	*	.	S	Bend	trans	-60.7	-43.6	-176.5	-172.6	177.5	-177.5	174.9	0	113	P357	P357-K561 HydrophobicContact CB-CD 4.18Å; P357-K561 HydrophobicContact CB-CG 4.44Å
562	K	86.6	Confident	92.7	Very high	160 Å²	160	68.3 Å²	68.3	70%	0.696	35%	0.349	S	S	*	.	S	Bend	trans	-132.3	149.3	-179.6	-66.1	-176.9	180	178.9	0	109.4	V560	V560-K562 WeakPolarHBondContact CG1-O 3.41Å; V560-K562 PolarHBondContact O-N 3.01Å
563	R	90.7	Very high	92.6	Very high	145 Å²	145	68.5 Å²	68.5	55%	0.547	35%	0.349	S	S	.	.			trans	-65.5	136.7	168.7	64.5	-179.3	177.5	-172.7	-2.8	109.9	T471 H500 E515	T471-R563 HydrophobicContact CG2-CB 4.17Å; T471-R563 PolarHBondContact OG1-N 2.81Å; H500-R563 PolarHBondContact NE2-NH1 2.99Å; E515-R563 WeakPolarHBondContact OE2-CA 3.16Å
564	A	92.8	Very high	92.5	Very high	35 Å²	35	71.4 Å²	71.4	29%	0.289	37%	0.373	S	S	.	.			trans	-91.8	-35.3	175.4	0	0	0	0	0	111.3	E515 Y586 V588	E515-A564 PolarHBondContact OE1-N 2.96Å; E515-A564 PolarHBondContact OE2-N 3.42Å; A564-Y586 WeakPolarHBondContact O-CD1 3.3Å; A564-V588 HydrophobicContact CB-CG1 3.88Å; A564-V588 HydrophobicContact CB-CG2 4.49Å
565	F	93.9	Very high	92.2	Very high	5 Å²	5	74.3 Å²	74.3	2%	0.022	39%	0.387	C	S	.	.			trans	-96.3	145.4	-175.5	-57.7	-80.2	0	0	0	112.9	H500 I502 V513 E515 F583 Y586 V588	H500-F565 HydrophobicContact CB-CB 4.41Å; H500-F565 WeakPolarHBondContact CB-O 3.36Å; I502-F565 HydrophobicContact CB-CD1 4.14Å; I502-F565 HydrophobicContact CB-CE1 3.92Å; I502-F565 HydrophobicContact CB-CZ 4.46Å; I502-F565 HydrophobicContact CG2-CD1 4.17Å; I502-F565 HydrophobicContact CG2-CE1 3.47Å; I502-F565 VanDerWaalsContact CG2-CE1 3.47Å; I502-F565 HydrophobicContact CG2-CE2 4.44Å; I502-F565 HydrophobicContact CG2-CZ 3.63Å; V513-F565 HydrophobicContact CB-CE2 4.28Å; V513-F565 HydrophobicContact CG1-CD2 4.46Å; V513-F565 HydrophobicContact CG1-CE2 3.7Å; V513-F565 HydrophobicContact CG1-CZ 4.39Å; E515-F565 VanDerWaalsContact CD-CD2 3.44Å; E515-F565 HydrophobicContact CG-CD2 3.92Å; E515-F565 HydrophobicContact CG-CE2 4.49Å; E515-F565 PolarHBondContact OE2-N 3.34Å; E515-F565 VanDerWaalsContact OE2-N 3.1Å; F565-F583 HydrophobicContact CZ-CD1 4.13Å; F565-F583 HydrophobicContact CZ-CE1 4Å; F565-Y586 HydrophobicContact CD1-CD1 4Å; F565-Y586 AromaticContact CD1-CD2 3.88Å; F565-Y586 HydrophobicContact CD1-CD2 3.88Å; F565-Y586 HydrophobicContact CD1-CE1 4.16Å; F565-Y586 HydrophobicContact CD1-CE2 4.03Å; F565-Y586 AromaticContact CD1-CG 3.87Å; F565-Y586 HydrophobicContact CD1-CG 3.87Å; F565-Y586 HydrophobicContact CE1-CD1 4.32Å; F565-Y586 AromaticContact CE1-CD2 3.48Å; F565-Y586 HydrophobicContact CE1-CD2 3.48Å; F565-Y586 VanDerWaalsContact CE1-CD2 3.48Å; F565-Y586 AromaticContact CE1-CE2 3.93Å; F565-Y586 HydrophobicContact CE1-CE2 3.93Å; F565-Y586 AromaticContact CE1-CG 3.71Å; F565-Y586 HydrophobicContact CE1-CG 3.71Å; F565-V588 HydrophobicContact CE1-CG2 4.41Å; F565-V588 HydrophobicContact CE2-CG2 4.13Å; F565-V588 HydrophobicContact CZ-CG2 3.65Å
566	G	90.4	Very high	91.9	Very high	56 Å²	56	75 Å²	75	58%	0.577	39%	0.39	S	S	*	.	S	Bend	trans	-88.5	-55.6	179.7	0	0	0	0	0	114.5	H500	H500-G566 PolarHBondContact CE1-O 2.81Å; H500-G566 VanDerWaalsContact CE1-O 3.31Å; H500-G566 PolarHBondContact ND1-O 3.29Å
567	E	91.3	Very high	91.6	Very high	108 Å²	108	78.2 Å²	78.2	51%	0.505	41%	0.406	S	S	.	.	S	Bend	trans	-128.2	155.2	175.2	-165.2	-165.2	169.9	0	0	108.4	K569	E567-K569 PolarHBondContact O-N 3.19Å
568	F	94.7	Very high	91.4	Very high	5 Å²	5	77.6 Å²	77.6	2%	0.022	41%	0.405	C	S	.	.			trans	-69.7	106.8	172.5	-162.4	-94.7	0	0	0	111.6	I490 E491 A494 I499 G501 V503 V512 V514	I490-F568 HydrophobicContact CG2-CE1 3.88Å; I490-F568 HydrophobicContact CG2-CZ 3.75Å; E491-F568 HydrophobicContact CG-CD1 4.39Å; A494-F568 HydrophobicContact CB-CB 4.04Å; A494-F568 HydrophobicContact CB-CD1 3.61Å; A494-F568 HydrophobicContact CB-CD2 3.57Å; A494-F568 HydrophobicContact CB-CE1 3.87Å; A494-F568 HydrophobicContact CB-CE2 3.84Å; A494-F568 HydrophobicContact CB-CG 3.44Å; A494-F568 VanDerWaalsContact CB-CG 3.44Å; A494-F568 HydrophobicContact CB-CZ 3.96Å; I499-F568 HydrophobicContact CG2-CD2 4.42Å; G501-F568 VanDerWaalsContact O-CA 3.31Å; G501-F568 WeakPolarHBondContact O-CA 3.1Å; V503-F568 HydrophobicContact CG2-CE1 3.6Å; V503-F568 HydrophobicContact CG2-CE2 4.43Å; V503-F568 HydrophobicContact CG2-CZ 3.4Å; V503-F568 VanDerWaalsContact CG2-CZ 3.4Å; V512-F568 HydrophobicContact CG1-CZ 4.3Å; V514-F568 HydrophobicContact CG2-CE2 4.46Å
569	K	94.2	Very high	91.3	Very high	98 Å²	98	76.8 Å²	76.8	43%	0.426	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	148.4	-177	-66.2	-177.8	-177.9	-176.4	0	111.8	G501 I502 V503 E567	G501-K569 PolarHBondContact O-N 3.42Å; I502-K569 CarbonylContact C-O 3.6Å; I502-K569 VanDerWaalsContact CA-O 3.31Å; I502-K569 WeakPolarHBondContact CA-O 3.24Å; I502-K569 WeakPolarHBondContact CG1-O 3.48Å; V503-K569 PolarHBondContact N-O 3.46Å; E567-K569 PolarHBondContact O-N 3.19Å
570	V	94.7	Very high	91.3	Very high	40 Å²	40	77.2 Å²	77.2	24%	0.242	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	121.4	171.2	-172	0	0	0	0	109.2	V503 L505	V503-V570 HydrophobicContact CB-CB 4.26Å; V503-V570 HydrophobicContact CB-CG1 3.9Å; V503-V570 HydrophobicContact CB-CG2 4.01Å; V503-V570 HydrophobicContact CG1-CG1 4.03Å; V503-V570 HydrophobicContact CG2-CG2 4.18Å; V503-V570 CarbonylContact O-C 3.53Å; V503-V570 WeakPolarHBondContact O-CA 3.45Å; L505-V570 HydrophobicContact CD1-CG1 3.84Å; L505-V570 HydrophobicContact CG-CG1 4.15Å
571	K	93.7	Very high	91.4	Very high	80 Å²	80	78.5 Å²	78.5	35%	0.348	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	139.7	179.1	-70.8	-168.2	179.2	179.5	0	110.7	I502 V503 V504 L505 L582	I502-K571 HydrophobicContact CD1-CD 4.16Å; I502-K571 HydrophobicContact CD1-CG 4.39Å; V503-K571 PolarHBondContact O-N 2.98Å; V504-K571 WeakPolarHBondContact CA-O 3.4Å; L505-K571 PolarHBondContact N-O 3.05Å; K571-L582 HydrophobicContact CB-CD2 4.01Å; K571-L582 HydrophobicContact CD-CD1 3.57Å; K571-L582 HydrophobicContact CD-CD2 3.64Å; K571-L582 HydrophobicContact CD-CG 4.26Å; K571-L582 HydrophobicContact CG-CD2 4.39Å
572	V	94	Very high	91.8	Very high	114 Å²	114	71.7 Å²	71.7	69%	0.691	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	125.3	175.2	-178.1	0	0	0	0	107.9	L505	L505-V572 HydrophobicContact CB-CG2 4.25Å; L505-V572 HydrophobicContact CD1-CG2 3.97Å
573	C	90.9	Very high	92.2	Very high	14 Å²	14	64.1 Å²	64.1	10%	0.095	33%	0.33	C	S	.	.			trans	-121	116.8	179.1	-68.6	0	0	0	0	109.1	V504 L505 H506 A579	V504-C573 HydrophobicContact CG1-CB 4.06Å; L505-C573 PolarHBondContact O-N 2.74Å; H506-C573 PolarHBondContact ND1-O 2.97Å; C573-A579 HydrophobicContact CB-CB 3.86Å
574	S	90.3	Very high	92.4	Very high	86 Å²	86	62.8 Å²	62.8	60%	0.601	33%	0.33	S	S	*	.	S	Bend	trans	-73.7	-27.9	179.4	52.4	0	0	0	0	113.1	H506	H506-S574 PolarHBondContact CE1-O 3.4Å; H506-S574 VanDerWaalsContact CE1-O 3.25Å
575	M	88.5	Confident	92.5	Very high	111 Å²	111	69.2 Å²	69.2	55%	0.547	35%	0.351	S	S	.	.	S	Bend	trans	-121.4	142.6	-180	-59.6	-171.3	-68.9	0	0	110.2	K577 L578 A579	M575-K577 VanDerWaalsContact C-N 3.3Å; M575-K577 PolarHBondContact O-N 2.74Å; M575-L578 HydrophobicContact CB-CD1 4.31Å; M575-L578 HydrophobicContact CB-CG 4.31Å; M575-L578 HydrophobicContact CE-CD1 3.57Å; M575-L578 HydrophobicContact CE-CG 3.87Å; M575-L578 PolarHBondContact O-N 3.26Å; M575-A579 PolarHBondContact O-N 3.36Å
576	E	88.4	Confident	92.5	Very high	54 Å²	54	72.6 Å²	72.6	25%	0.252	36%	0.364	S	S	.	.	H	α-helix	trans	-62.1	-37.8	178.7	-62.5	165.9	173.9	0	0	111.7	H506 L578 A579 R580 W592 F596	H506-E576 IonicContact NE2-OE1 3.26Å; E576-L578 VanDerWaalsContact C-N 3.34Å; E576-L578 PolarHBondContact O-N 3.08Å; E576-A579 WeakPolarHBondContact O-CA 3.18Å; E576-A579 WeakPolarHBondContact O-CB 3.36Å; E576-A579 PolarHBondContact O-N 2.94Å; E576-A579 VanDerWaalsContact O-N 3.08Å; E576-R580 PolarHBondContact O-N 3.43Å; E576-W592 HydrophobicContact CB-CZ2 3.94Å; E576-W592 HydrophobicContact CG-CZ2 4.2Å; E576-F596 HydrophobicContact CB-CE2 4.47Å; E576-F596 HydrophobicContact CG-CE2 3.86Å; E576-F596 HydrophobicContact CG-CZ 4.25Å; E576-F596 VanDerWaalsContact OE1-CE2 3.24Å; E576-F596 WeakPolarHBondContact OE1-CE2 3.49Å; E576-F596 WeakPolarHBondContact OE2-CZ 3.3Å
577	K	89.5	Confident	92.6	Very high	150 Å²	150	72.2 Å²	72.2	65%	0.652	36%	0.36	S	S	*	.	H	α-helix	trans	-57.9	-43.8	175.7	-171.4	-179.3	178.6	-175.5	0	112.5	M575 A579 R580 E581	M575-K577 VanDerWaalsContact C-N 3.3Å; M575-K577 PolarHBondContact O-N 2.74Å; K577-A579 VanDerWaalsContact C-N 3.28Å; K577-A579 PolarHBondContact O-N 3.43Å; K577-R580 PolarHBondContact O-N 2.94Å; K577-E581 VanDerWaalsContact CE-OE1 3.26Å; K577-E581 WeakPolarHBondContact CE-OE1 3.37Å; K577-E581 WeakPolarHBondContact O-CB 3.41Å; K577-E581 WeakPolarHBondContact O-CG 3.3Å; K577-E581 PolarHBondContact O-N 3.25Å
578	L	91.8	Very high	92.8	Very high	69 Å²	69	67.4 Å²	67.4	36%	0.361	34%	0.338	S	S	.	.	H	α-helix	trans	-66.8	-32.4	177.3	-68.8	176.1	0	0	0	112	M575 E576 L582	M575-L578 HydrophobicContact CB-CD1 4.31Å; M575-L578 HydrophobicContact CB-CG 4.31Å; M575-L578 HydrophobicContact CE-CD1 3.57Å; M575-L578 HydrophobicContact CE-CG 3.87Å; M575-L578 PolarHBondContact O-N 3.26Å; E576-L578 VanDerWaalsContact C-N 3.34Å; E576-L578 PolarHBondContact O-N 3.08Å; L578-L582 WeakPolarHBondContact O-CB 3.25Å; L578-L582 PolarHBondContact O-N 2.98Å; L578-L582 VanDerWaalsContact O-N 3.08Å
579	A	92.1	Very high	92.7	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-68.4	-45.2	174	0	0	0	0	0	111	V504 C573 M575 E576 K577 L582 F583 W592	V504-A579 HydrophobicContact CG1-CB 3.84Å; C573-A579 HydrophobicContact CB-CB 3.86Å; M575-A579 PolarHBondContact O-N 3.36Å; E576-A579 WeakPolarHBondContact O-CA 3.18Å; E576-A579 WeakPolarHBondContact O-CB 3.36Å; E576-A579 PolarHBondContact O-N 2.94Å; E576-A579 VanDerWaalsContact O-N 3.08Å; K577-A579 VanDerWaalsContact C-N 3.28Å; K577-A579 PolarHBondContact O-N 3.43Å; A579-L582 WeakPolarHBondContact O-CB 3.37Å; A579-L582 PolarHBondContact O-N 3.27Å; A579-F583 VanDerWaalsContact O-CD2 3.31Å; A579-F583 WeakPolarHBondContact O-CD2 3.42Å; A579-F583 PolarHBondContact O-N 3.5Å; A579-W592 HydrophobicContact CB-CD2 3.99Å; A579-W592 HydrophobicContact CB-CE3 3.64Å; A579-W592 HydrophobicContact CB-CH2 3.4Å; A579-W592 HydrophobicContact CB-CZ2 3.7Å; A579-W592 HydrophobicContact CB-CZ3 3.36Å
580	R	92.7	Very high	92.7	Very high	96 Å²	96	69.9 Å²	69.9	36%	0.362	35%	0.351	S	S	.	.	H	α-helix	trans	-60.5	-47.6	174.8	-167.8	178.6	-173.9	-162.2	-0.8	112.2	E576 K577 L582 F583 Q584 W592 D593	E576-R580 PolarHBondContact O-N 3.43Å; K577-R580 PolarHBondContact O-N 2.94Å; R580-L582 PolarHBondContact O-N 3.06Å; R580-F583 PolarHBondContact O-N 3.45Å; R580-Q584 WeakPolarHBondContact O-CB 3.47Å; R580-Q584 PolarHBondContact O-N 2.98Å; R580-W592 HydrophobicContact CB-CG 4.27Å; R580-D593 WeakPolarHBondContact CD-OD1 3.42Å; R580-D593 IonicContact CZ-OD1 3.16Å; R580-D593 IonicContact CZ-OD2 2.77Å; R580-D593 IonicContact NE-OD1 2.7Å; R580-D593 PolarHBondContact NE-OD1 3.47Å; R580-D593 IonicContact NE-OD2 2.92Å; R580-D593 PolarHBondContact NE-OD2 2.91Å; R580-D593 IonicContact NH2-OD1 2.75Å; R580-D593 IonicContact NH2-OD2 3.92Å; R580-D593 PolarHBondContact NH2-OD2 3.5Å
581	E	93.2	Very high	92.7	Very high	69 Å²	69	68.4 Å²	68.4	32%	0.322	34%	0.342	S	S	.	.	H	α-helix	trans	-57.7	-34.6	175.2	-75.1	173.2	-167.4	0	0	112.1	K577 Q584 K585	K577-E581 VanDerWaalsContact CE-OE1 3.26Å; K577-E581 WeakPolarHBondContact CE-OE1 3.37Å; K577-E581 WeakPolarHBondContact O-CB 3.41Å; K577-E581 WeakPolarHBondContact O-CG 3.3Å; K577-E581 PolarHBondContact O-N 3.25Å; E581-Q584 PolarHBondContact O-N 2.97Å; E581-K585 WeakPolarHBondContact O-CG 3.29Å; E581-K585 PolarHBondContact O-N 3.41Å; E581-K585 VanDerWaalsContact O-N 3.08Å
582	L	94.2	Very high	92.7	Very high	11 Å²	11	64.8 Å²	64.8	6%	0.058	33%	0.326	C	S	.	.	H	α-helix	trans	-66.5	-40.6	175.6	171.4	69.2	0	0	0	112.2	I502 V504 K571 L578 A579 R580 Y586	I502-L582 HydrophobicContact CD1-CD1 4.13Å; I502-L582 HydrophobicContact CD1-CD2 3.69Å; I502-L582 HydrophobicContact CD1-CG 4.01Å; V504-L582 HydrophobicContact CG2-CD2 3.71Å; K571-L582 HydrophobicContact CB-CD2 4.01Å; K571-L582 HydrophobicContact CD-CD1 3.57Å; K571-L582 HydrophobicContact CD-CD2 3.64Å; K571-L582 HydrophobicContact CD-CG 4.26Å; K571-L582 HydrophobicContact CG-CD2 4.39Å; L578-L582 WeakPolarHBondContact O-CB 3.25Å; L578-L582 PolarHBondContact O-N 2.98Å; L578-L582 VanDerWaalsContact O-N 3.08Å; A579-L582 WeakPolarHBondContact O-CB 3.37Å; A579-L582 PolarHBondContact O-N 3.27Å; R580-L582 PolarHBondContact O-N 3.06Å; L582-Y586 HydrophobicContact CD1-CE2 4.18Å; L582-Y586 WeakPolarHBondContact O-CD2 3.48Å
583	F	95	Very high	92.6	Very high	1 Å²	1	60.9 Å²	60.9	0%	0.004	30%	0.301	C	S	.	.	H	α-helix	trans	-71.5	-37.1	174.6	-81.2	-84.3	0	0	0	112	I502 V504 I511 V513 F565 A579 R580 K585 Y586 G587 V588 W592	I502-F583 HydrophobicContact CG2-CE1 3.74Å; I502-F583 HydrophobicContact CG2-CZ 3.75Å; V504-F583 HydrophobicContact CB-CE2 4.18Å; V504-F583 HydrophobicContact CG2-CD2 4.43Å; V504-F583 HydrophobicContact CG2-CE2 3.49Å; V504-F583 VanDerWaalsContact CG2-CE2 3.49Å; V504-F583 HydrophobicContact CG2-CZ 3.89Å; I511-F583 HydrophobicContact CG2-CZ 4.24Å; V513-F583 HydrophobicContact CB-CE1 4.38Å; V513-F583 HydrophobicContact CG2-CE1 3.59Å; V513-F583 HydrophobicContact CG2-CZ 3.9Å; F565-F583 HydrophobicContact CZ-CD1 4.13Å; F565-F583 HydrophobicContact CZ-CE1 4Å; A579-F583 VanDerWaalsContact O-CD2 3.31Å; A579-F583 WeakPolarHBondContact O-CD2 3.42Å; A579-F583 PolarHBondContact O-N 3.5Å; R580-F583 PolarHBondContact O-N 3.45Å; F583-K585 VanDerWaalsContact C-N 3.27Å; F583-K585 PolarHBondContact O-N 3.27Å; F583-Y586 CarbonylContact O-C 3.46Å; F583-Y586 WeakPolarHBondContact O-CA 3.22Å; F583-Y586 PolarHBondContact O-N 3.44Å; F583-G587 PolarHBondContact O-N 3.15Å; F583-V588 HydrophobicContact CD1-CG2 3.97Å; F583-V588 PolarHBondContact O-N 3.08Å; F583-V588 VanDerWaalsContact O-N 3.14Å; F583-W592 HydrophobicContact CB-CB 4.32Å; F583-W592 HydrophobicContact CD2-CB 3.72Å; F583-W592 HydrophobicContact CD2-CD2 4.44Å; F583-W592 HydrophobicContact CD2-CE3 4.03Å; F583-W592 HydrophobicContact CD2-CG 4.34Å; F583-W592 HydrophobicContact CE2-CB 4.25Å; F583-W592 AromaticContact CE2-CE3 3.78Å; F583-W592 HydrophobicContact CE2-CE3 3.78Å; F583-W592 HydrophobicContact CG-CB 4.06Å
584	Q	94.1	Very high	92.6	Very high	117 Å²	117	63.2 Å²	63.2	55%	0.547	31%	0.311	S	S	.	.	H	α-helix	trans	-60.6	-35.5	175.6	-167.9	178.5	18.4	0	0	112.3	R580 E581 Y586 G587 E589	R580-Q584 WeakPolarHBondContact O-CB 3.47Å; R580-Q584 PolarHBondContact O-N 2.98Å; E581-Q584 PolarHBondContact O-N 2.97Å; Q584-Y586 PolarHBondContact O-N 3.09Å; Q584-Y586 VanDerWaalsContact O-N 3.1Å; Q584-G587 PolarHBondContact O-N 2.97Å; Q584-E589 WeakPolarHBondContact CA-OE2 3.39Å; Q584-E589 HydrophobicContact CB-CB 4.33Å
585	K	94.4	Very high	92.7	Very high	169 Å²	169	59.1 Å²	59.1	74%	0.735	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.8	172.8	-75.5	171.8	-173.2	-176.9	0	113.8	E581 F583	E581-K585 WeakPolarHBondContact O-CG 3.29Å; E581-K585 PolarHBondContact O-N 3.41Å; E581-K585 VanDerWaalsContact O-N 3.08Å; F583-K585 VanDerWaalsContact C-N 3.27Å; F583-K585 PolarHBondContact O-N 3.27Å
586	Y	94.4	Very high	92.7	Very high	76 Å²	76	54.2 Å²	54.2	30%	0.298	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	2.4	176.5	-64.3	-75.8	0	0	0	112.7	I502 A564 F565 L582 F583 Q584 V588	I502-Y586 HydrophobicContact CD1-CE2 4.46Å; A564-Y586 WeakPolarHBondContact O-CD1 3.3Å; F565-Y586 HydrophobicContact CD1-CD1 4Å; F565-Y586 AromaticContact CD1-CD2 3.88Å; F565-Y586 HydrophobicContact CD1-CD2 3.88Å; F565-Y586 HydrophobicContact CD1-CE1 4.16Å; F565-Y586 HydrophobicContact CD1-CE2 4.03Å; F565-Y586 AromaticContact CD1-CG 3.87Å; F565-Y586 HydrophobicContact CD1-CG 3.87Å; F565-Y586 HydrophobicContact CE1-CD1 4.32Å; F565-Y586 AromaticContact CE1-CD2 3.48Å; F565-Y586 HydrophobicContact CE1-CD2 3.48Å; F565-Y586 VanDerWaalsContact CE1-CD2 3.48Å; F565-Y586 AromaticContact CE1-CE2 3.93Å; F565-Y586 HydrophobicContact CE1-CE2 3.93Å; F565-Y586 AromaticContact CE1-CG 3.71Å; F565-Y586 HydrophobicContact CE1-CG 3.71Å; L582-Y586 HydrophobicContact CD1-CE2 4.18Å; L582-Y586 WeakPolarHBondContact O-CD2 3.48Å; F583-Y586 CarbonylContact O-C 3.46Å; F583-Y586 WeakPolarHBondContact O-CA 3.22Å; F583-Y586 PolarHBondContact O-N 3.44Å; Q584-Y586 PolarHBondContact O-N 3.09Å; Q584-Y586 VanDerWaalsContact O-N 3.1Å; Y586-V588 VanDerWaalsContact C-N 3.34Å
587	G	93.6	Very high	92.7	Very high	48 Å²	48	53.5 Å²	53.5	50%	0.495	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	31.1	-176.9	0	0	0	0	0	113.9	F583 Q584	F583-G587 PolarHBondContact O-N 3.15Å; Q584-G587 PolarHBondContact O-N 2.97Å
588	V	94.8	Very high	92.6	Very high	8 Å²	8	47.5 Å²	47.5	5%	0.048	24%	0.238	C	C	.	.			trans	-134	33	-175.4	-71	0	0	0	0	112.7	A564 F565 F583 Y586 Q590 Y591	A564-V588 HydrophobicContact CB-CG1 3.88Å; A564-V588 HydrophobicContact CB-CG2 4.49Å; F565-V588 HydrophobicContact CE1-CG2 4.41Å; F565-V588 HydrophobicContact CE2-CG2 4.13Å; F565-V588 HydrophobicContact CZ-CG2 3.65Å; F583-V588 HydrophobicContact CD1-CG2 3.97Å; F583-V588 PolarHBondContact O-N 3.08Å; F583-V588 VanDerWaalsContact O-N 3.14Å; Y586-V588 VanDerWaalsContact C-N 3.34Å; V588-Q590 VanDerWaalsContact C-OE1 3.27Å; V588-Q590 PolarHBondContact O-N 3.35Å; V588-Y591 HydrophobicContact CB-CD2 3.6Å; V588-Y591 HydrophobicContact CB-CE2 3.58Å; V588-Y591 HydrophobicContact CB-CG 4.38Å; V588-Y591 HydrophobicContact CG1-CD2 4.12Å; V588-Y591 HydrophobicContact CG1-CE2 3.54Å; V588-Y591 HydrophobicContact CG2-CD2 4.16Å; V588-Y591 HydrophobicContact CG2-CE2 4.3Å; V588-Y591 PolarHBondContact O-N 2.97Å; V588-Y591 VanDerWaalsContact O-N 3.14Å
589	E	92.9	Very high	92.3	Very high	62 Å²	62	45.2 Å²	45.2	29%	0.29	23%	0.229	S	C	.	.	H	α-helix	trans	-54.6	-30.8	176.4	58.9	-88.8	-158.7	0	0	113.4	Q584 Y591 W592 D593	Q584-E589 WeakPolarHBondContact CA-OE2 3.39Å; Q584-E589 HydrophobicContact CB-CB 4.33Å; E589-Y591 PolarHBondContact O-N 2.76Å; E589-Y591 VanDerWaalsContact O-N 3.13Å; E589-W592 WeakPolarHBondContact O-CB 3.39Å; E589-W592 PolarHBondContact O-N 3.02Å; E589-D593 PolarHBondContact O-N 3.35Å
590	Q	93.5	Very high	91.7	Very high	92 Å²	92	46.9 Å²	46.9	43%	0.43	24%	0.237	S	C	.	.	H	α-helix	trans	-58.3	-27.8	178.1	64.3	-83	16	0	0	113.4	V588 M594	V588-Q590 VanDerWaalsContact C-OE1 3.27Å; V588-Q590 PolarHBondContact O-N 3.35Å; Q590-M594 WeakPolarHBondContact O-CB 3.23Å; Q590-M594 PolarHBondContact O-N 3.26Å
591	Y	95	Very high	91	Very high	9 Å²	9	47.5 Å²	47.5	4%	0.035	25%	0.246	C	C	.	.	H	α-helix	trans	-70.7	-38.1	175.7	-59.5	-25.6	0	0	0	111.9	V473 V475 V513 W556 V560 V588 E589 M594 A595	V473-Y591 HydrophobicContact CG1-CE2 4.2Å; V475-Y591 HydrophobicContact CG2-CD1 4.05Å; V475-Y591 HydrophobicContact CG2-CD2 4.33Å; V475-Y591 HydrophobicContact CG2-CG 3.92Å; V513-Y591 HydrophobicContact CG1-CD2 3.96Å; V513-Y591 HydrophobicContact CG1-CE2 4.22Å; V513-Y591 HydrophobicContact CG2-CD2 4.41Å; W556-Y591 HydrophobicContact CE3-CD1 4.39Å; W556-Y591 AromaticContact CE3-CE1 3.89Å; W556-Y591 HydrophobicContact CE3-CE1 3.89Å; W556-Y591 HydrophobicContact CH2-CE1 4.19Å; W556-Y591 HydrophobicContact CZ3-CD1 4.48Å; W556-Y591 AromaticContact CZ3-CE1 3.57Å; W556-Y591 HydrophobicContact CZ3-CE1 3.57Å; W556-Y591 AromaticContact CZ3-CZ 3.89Å; V560-Y591 WeakPolarHBondContact CG2-OH 3.47Å; V588-Y591 HydrophobicContact CB-CD2 3.6Å; V588-Y591 HydrophobicContact CB-CE2 3.58Å; V588-Y591 HydrophobicContact CB-CG 4.38Å; V588-Y591 HydrophobicContact CG1-CD2 4.12Å; V588-Y591 HydrophobicContact CG1-CE2 3.54Å; V588-Y591 HydrophobicContact CG2-CD2 4.16Å; V588-Y591 HydrophobicContact CG2-CE2 4.3Å; V588-Y591 PolarHBondContact O-N 2.97Å; V588-Y591 VanDerWaalsContact O-N 3.14Å; E589-Y591 PolarHBondContact O-N 2.76Å; E589-Y591 VanDerWaalsContact O-N 3.13Å; Y591-M594 HydrophobicContact CD1-CE 4.4Å; Y591-A595 VanDerWaalsContact O-CB 3.24Å; Y591-A595 WeakPolarHBondContact O-CB 3.21Å; Y591-A595 PolarHBondContact O-N 3.48Å
592	W	93.6	Very high	89.9	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.015	25%	0.25	C	S	.	.	H	α-helix	trans	-66.7	-51.5	173.4	175.2	-90.5	0	0	0	109.8	V504 I511 E576 A579 R580 F583 E589 M594 A595 F596	V504-W592 HydrophobicContact CG1-CZ3 3.97Å; I511-W592 HydrophobicContact CD1-CD2 4.06Å; I511-W592 HydrophobicContact CD1-CE3 3.32Å; I511-W592 HydrophobicContact CD1-CH2 4.46Å; I511-W592 HydrophobicContact CD1-CZ3 3.54Å; I511-W592 HydrophobicContact CG1-CE3 4.45Å; I511-W592 HydrophobicContact CG1-CZ3 4.31Å; E576-W592 HydrophobicContact CB-CZ2 3.94Å; E576-W592 HydrophobicContact CG-CZ2 4.2Å; A579-W592 HydrophobicContact CB-CD2 3.99Å; A579-W592 HydrophobicContact CB-CE3 3.64Å; A579-W592 HydrophobicContact CB-CH2 3.4Å; A579-W592 HydrophobicContact CB-CZ2 3.7Å; A579-W592 HydrophobicContact CB-CZ3 3.36Å; R580-W592 HydrophobicContact CB-CG 4.27Å; F583-W592 HydrophobicContact CB-CB 4.32Å; F583-W592 HydrophobicContact CD2-CB 3.72Å; F583-W592 HydrophobicContact CD2-CD2 4.44Å; F583-W592 HydrophobicContact CD2-CE3 4.03Å; F583-W592 HydrophobicContact CD2-CG 4.34Å; F583-W592 HydrophobicContact CE2-CB 4.25Å; F583-W592 AromaticContact CE2-CE3 3.78Å; F583-W592 HydrophobicContact CE2-CE3 3.78Å; F583-W592 HydrophobicContact CG-CB 4.06Å; E589-W592 WeakPolarHBondContact O-CB 3.39Å; E589-W592 PolarHBondContact O-N 3.02Å; W592-M594 VanDerWaalsContact C-N 3.34Å; W592-M594 PolarHBondContact O-N 2.97Å; W592-A595 PolarHBondContact O-N 3Å; W592-F596 AromaticContact CZ2-CD2 3.98Å; W592-F596 HydrophobicContact CZ2-CD2 3.98Å; W592-F596 HydrophobicContact CZ2-CG 4.49Å; W592-F596 WeakPolarHBondContact O-CB 3.48Å; W592-F596 PolarHBondContact O-N 3.31Å
593	D	91.7	Very high	88	Confident	32 Å²	32	49.3 Å²	49.3	17%	0.171	27%	0.267	C	S	.	.	H	α-helix	trans	-60.5	-43.6	-175.5	-68.1	-15.8	0	0	0	111	R580 E589 F596 S597	R580-D593 WeakPolarHBondContact CD-OD1 3.42Å; R580-D593 IonicContact CZ-OD1 3.16Å; R580-D593 IonicContact CZ-OD2 2.77Å; R580-D593 IonicContact NE-OD1 2.7Å; R580-D593 PolarHBondContact NE-OD1 3.47Å; R580-D593 IonicContact NE-OD2 2.92Å; R580-D593 PolarHBondContact NE-OD2 2.91Å; R580-D593 IonicContact NH2-OD1 2.75Å; R580-D593 IonicContact NH2-OD2 3.92Å; R580-D593 PolarHBondContact NH2-OD2 3.5Å; E589-D593 PolarHBondContact O-N 3.35Å; D593-F596 PolarHBondContact O-N 3.02Å; D593-S597 VanDerWaalsContact O-CB 3.26Å; D593-S597 WeakPolarHBondContact O-CB 3.29Å; D593-S597 PolarHBondContact O-N 3.28Å; D593-S597 PolarHBondContact O-OG 3.46Å
594	M	91.3	Very high	85.9	Confident	63 Å²	63	55.9 Å²	55.9	31%	0.31	30%	0.298	S	S	.	.	H	α-helix	trans	-64.1	-45.2	176.2	-178.8	176.8	47.9	0	0	112.8	I555 W556 Q590 Y591 W592 F596 A598	I555-M594 HydrophobicContact CG2-CE 4.05Å; I555-M594 HydrophobicContact CG2-CG 3.65Å; I555-M594 HydrophobicContact CG2-SD 3.98Å; W556-M594 HydrophobicContact CB-CE 3.28Å; W556-M594 HydrophobicContact CB-SD 3.91Å; W556-M594 HydrophobicContact CD2-CE 4.36Å; W556-M594 HydrophobicContact CG-CE 3.68Å; W556-M594 HydrophobicContact CG-SD 4.21Å; Q590-M594 WeakPolarHBondContact O-CB 3.23Å; Q590-M594 PolarHBondContact O-N 3.26Å; Y591-M594 HydrophobicContact CD1-CE 4.4Å; W592-M594 VanDerWaalsContact C-N 3.34Å; W592-M594 PolarHBondContact O-N 2.97Å; M594-F596 VanDerWaalsContact C-N 3.33Å; M594-F596 PolarHBondContact O-N 3.19Å; M594-A598 WeakPolarHBondContact O-CB 3.37Å; M594-A598 PolarHBondContact O-N 2.99Å
595	A	91.8	Very high	83.3	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-66.2	-37.8	178.9	0	0	0	0	0	112.7	I511 I555 Y591 W592 A599	I511-A595 HydrophobicContact CD1-CB 3.33Å; I511-A595 HydrophobicContact CG1-CB 3.84Å; I555-A595 VanDerWaalsContact CD1-CA 3.47Å; I555-A595 HydrophobicContact CD1-CB 3.26Å; Y591-A595 VanDerWaalsContact O-CB 3.24Å; Y591-A595 WeakPolarHBondContact O-CB 3.21Å; Y591-A595 PolarHBondContact O-N 3.48Å; W592-A595 PolarHBondContact O-N 3Å; A595-A599 WeakPolarHBondContact O-CB 3.44Å; A595-A599 PolarHBondContact O-N 3.31Å; A595-A599 VanDerWaalsContact O-N 3.07Å
596	F	89.8	Confident	82.7	Confident	9 Å²	9	55.5 Å²	55.5	4%	0.039	30%	0.3	C	S	.	.	H	α-helix	trans	-72.9	-41.6	179.3	-172.8	-107.5	0	0	0	110.9	V304 I509 E576 W592 D593 M594 A599 I600	V304-F596 HydrophobicContact CG2-CD1 3.25Å; V304-F596 HydrophobicContact CG2-CE1 3.29Å; I509-F596 HydrophobicContact CD1-CD2 3.4Å; I509-F596 HydrophobicContact CD1-CE2 3.64Å; I509-F596 HydrophobicContact CD1-CG 4.49Å; E576-F596 HydrophobicContact CB-CE2 4.47Å; E576-F596 HydrophobicContact CG-CE2 3.86Å; E576-F596 HydrophobicContact CG-CZ 4.25Å; E576-F596 VanDerWaalsContact OE1-CE2 3.24Å; E576-F596 WeakPolarHBondContact OE1-CE2 3.49Å; E576-F596 WeakPolarHBondContact OE2-CZ 3.3Å; W592-F596 AromaticContact CZ2-CD2 3.98Å; W592-F596 HydrophobicContact CZ2-CD2 3.98Å; W592-F596 HydrophobicContact CZ2-CG 4.49Å; W592-F596 WeakPolarHBondContact O-CB 3.48Å; W592-F596 PolarHBondContact O-N 3.31Å; D593-F596 PolarHBondContact O-N 3.02Å; M594-F596 VanDerWaalsContact C-N 3.33Å; M594-F596 PolarHBondContact O-N 3.19Å; F596-A599 WeakPolarHBondContact O-CB 3.27Å; F596-A599 PolarHBondContact O-N 3.28Å; F596-A599 VanDerWaalsContact O-N 3.17Å; F596-I600 HydrophobicContact CD1-CD1 3.7Å; F596-I600 HydrophobicContact CE1-CD1 3.28Å; F596-I600 HydrophobicContact CE1-CG1 4.46Å; F596-I600 HydrophobicContact CE2-CD1 4.27Å; F596-I600 HydrophobicContact CG-CD1 4.34Å; F596-I600 HydrophobicContact CZ-CD1 3.59Å; F596-I600 HydrophobicContact CZ-CG1 4.43Å; F596-I600 WeakPolarHBondContact O-CG1 3.38Å; F596-I600 PolarHBondContact O-N 3.13Å; F596-I600 VanDerWaalsContact O-N 3.07Å
597	S	87.5	Confident	82.1	Confident	38 Å²	38	54.4 Å²	54.4	27%	0.266	30%	0.3	S	S	.	.	H	α-helix	trans	-57.4	-51.5	171.1	-56.2	0	0	0	0	111.4	V304 D593 A599 I600 M601	V304-S597 WeakPolarHBondContact CG1-OG 3.26Å; D593-S597 VanDerWaalsContact O-CB 3.26Å; D593-S597 WeakPolarHBondContact O-CB 3.29Å; D593-S597 PolarHBondContact O-N 3.28Å; D593-S597 PolarHBondContact O-OG 3.46Å; S597-A599 PolarHBondContact O-N 3.05Å; S597-I600 PolarHBondContact O-N 2.73Å; S597-I600 VanDerWaalsContact O-N 3.09Å; S597-M601 WeakPolarHBondContact O-CB 3.46Å; S597-M601 VanDerWaalsContact O-CG 3.25Å; S597-M601 WeakPolarHBondContact O-CG 3.43Å; S597-M601 PolarHBondContact O-N 3.11Å
598	A	86.9	Confident	81.5	Confident	25 Å²	25	54.8 Å²	54.8	21%	0.207	29%	0.29	C	S	.	.	H	α-helix	trans	-61.5	-29.9	178.2	0	0	0	0	0	112.2	M594 G602	M594-A598 WeakPolarHBondContact O-CB 3.37Å; M594-A598 PolarHBondContact O-N 2.99Å; A598-G602 PolarHBondContact O-N 3.24Å
599	A	85.3	Confident	80.7	Confident	21 Å²	21	57.5 Å²	57.5	17%	0.174	30%	0.304	C	S	.	.	H	α-helix	trans	-70.9	-37.1	175.2	0	0	0	0	0	113.6	R477 I509 A595 F596 S597	R477-A599 VanDerWaalsContact NH1-CA 3.25Å; I509-A599 HydrophobicContact CD1-CB 3.37Å; I509-A599 HydrophobicContact CG1-CB 3.76Å; I509-A599 HydrophobicContact CG2-CB 4.5Å; A595-A599 WeakPolarHBondContact O-CB 3.44Å; A595-A599 PolarHBondContact O-N 3.31Å; A595-A599 VanDerWaalsContact O-N 3.07Å; F596-A599 WeakPolarHBondContact O-CB 3.27Å; F596-A599 PolarHBondContact O-N 3.28Å; F596-A599 VanDerWaalsContact O-N 3.17Å; S597-A599 PolarHBondContact O-N 3.05Å
600	I	81	Confident	80	Confident	34 Å²	34	57.3 Å²	57.3	17%	0.174	31%	0.305	C	S	.	.	H	α-helix	trans	-79.3	-41.2	-179.4	-65.8	161.9	0	0	0	111.1	K300 F301 V304 F596 S597 G602	K300-I600 HydrophobicContact CB-CD1 3.94Å; K300-I600 HydrophobicContact CB-CG1 4.38Å; K300-I600 HydrophobicContact CB-CG2 4.28Å; F301-I600 HydrophobicContact CD1-CG2 3.9Å; F301-I600 HydrophobicContact CD2-CG2 4.1Å; F301-I600 HydrophobicContact CE1-CB 4.43Å; F301-I600 HydrophobicContact CE1-CG2 3.63Å; F301-I600 HydrophobicContact CE2-CG2 3.81Å; F301-I600 HydrophobicContact CG-CG2 4.13Å; F301-I600 HydrophobicContact CZ-CG2 3.58Å; V304-I600 HydrophobicContact CG2-CD1 3.47Å; V304-I600 VanDerWaalsContact CG2-CD1 3.47Å; F596-I600 HydrophobicContact CD1-CD1 3.7Å; F596-I600 HydrophobicContact CE1-CD1 3.28Å; F596-I600 HydrophobicContact CE1-CG1 4.46Å; F596-I600 HydrophobicContact CE2-CD1 4.27Å; F596-I600 HydrophobicContact CG-CD1 4.34Å; F596-I600 HydrophobicContact CZ-CD1 3.59Å; F596-I600 HydrophobicContact CZ-CG1 4.43Å; F596-I600 WeakPolarHBondContact O-CG1 3.38Å; F596-I600 PolarHBondContact O-N 3.13Å; F596-I600 VanDerWaalsContact O-N 3.07Å; S597-I600 PolarHBondContact O-N 2.73Å; S597-I600 VanDerWaalsContact O-N 3.09Å; I600-G602 PolarHBondContact O-N 3.4Å
601	M	78	Confident	79.1	Confident	109 Å²	109	54.9 Å²	54.9	54%	0.537	30%	0.296	S	S	.	.	H	α-helix	trans	-62.5	-25.8	176.8	-67.5	-89	-76.7	0	0	111.9	F301 S597 D603	F301-M601 HydrophobicContact CE1-CG 3.92Å; F301-M601 HydrophobicContact CE1-SD 3.67Å; F301-M601 HydrophobicContact CZ-CG 4.48Å; F301-M601 HydrophobicContact CZ-SD 4.18Å; S597-M601 WeakPolarHBondContact O-CB 3.46Å; S597-M601 VanDerWaalsContact O-CG 3.25Å; S597-M601 WeakPolarHBondContact O-CG 3.43Å; S597-M601 PolarHBondContact O-N 3.11Å; M601-D603 PolarHBondContact O-N 3.34Å
602	G	69.7	Low	77.9	Confident	41 Å²	41	58.2 Å²	58.2	42%	0.423	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	16.4	-177.5	0	0	0	0	0	113	A598 I600 E604	A598-G602 PolarHBondContact O-N 3.24Å; I600-G602 PolarHBondContact O-N 3.4Å; G602-E604 WeakPolarHBondContact O-CG 3.34Å; G602-E604 PolarHBondContact O-N 3.17Å
603	D	54.6	Low	76.7	Confident	77 Å²	77	62.4 Å²	62.4	41%	0.412	34%	0.338	S	S	.	.			trans	-63.8	99.5	178.9	-70.1	-26.3	0	0	0	109.4	M601 H605	M601-D603 PolarHBondContact O-N 3.34Å; D603-H605 PolarHBondContact O-N 3.05Å
604	E	50.1	Low	75.5	Confident	140 Å²	140	64.9 Å²	64.9	65%	0.654	35%	0.352	S	S	*	.			trans	-83.4	25	-179.6	-61.2	-159.9	144.9	0	0	113.5	G602	G602-E604 WeakPolarHBondContact O-CG 3.34Å; G602-E604 PolarHBondContact O-N 3.17Å
605	H	39.6	Very low	74	Confident	222 Å²	222	65.1 Å²	65.1	100%	1.028	36%	0.356	S	S	*	.			trans	-66.1	0	-177.6	-67.3	-47	0	0	0	113.7	D603	D603-H605 PolarHBondContact O-N 3.05Å

Retrieved 605 of 605 residues in 277 ms (Link to these results)

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