A0A3Q0KS97_SCHMA Loading...

Centrosomal protein of 19 kDa

AlphaFold DB , UniProt , Accession A0A3Q0KS97, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 147 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	52.8	Low	84	Confident	166 Å²	166	86.5 Å²	86.5	82%	0.818	45%	0.445	S	S	*	.				0	132.9	0	-146.4	-178	-166.3	0	0	109.7	E18	M1-E18 PolarHBondContact N-OE1 3.34Å; M1-E18 PolarHBondContact N-OE2 3.05Å
2	Q	78.1	Confident	84.5	Confident	96 Å²	96	79.8 Å²	79.8	45%	0.449	41%	0.411	S	S	.	.			trans	-101	127.2	-178.4	-70.8	152.5	-9.6	0	0	110.3	I16 L57	Q2-I16 CarbonylContact C-O 3.52Å; Q2-I16 WeakPolarHBondContact CA-O 3.15Å; Q2-L57 PolarHBondContact OE1-O 2.73Å
3	R	87.2	Confident	85	Confident	171 Å²	171	73.6 Å²	73.6	65%	0.645	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113	140.3	178.2	-61.2	179.7	-179.3	153.5	0.7	108.9	I16	R3-I16 HydrophobicContact CB-CB 4.27Å; R3-I16 PolarHBondContact N-O 3.42Å; R3-I16 PolarHBondContact O-N 3.05Å
4	C	88	Confident	85.5	Confident	28 Å²	28	69.9 Å²	69.9	19%	0.189	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	153.7	173.6	57.4	0	0	0	0	110.2	V14 L15 I58 Q62 L66	C4-V14 CarbonylContact C-O 3.58Å; C4-V14 WeakPolarHBondContact CA-O 3.4Å; C4-L15 HydrophobicContact CB-CD2 3.54Å; C4-I58 HydrophobicContact CB-CD1 3.98Å; C4-I58 HydrophobicContact CB-CG1 4.47Å; C4-Q62 PolarHBondContact SG-NE2 3.18Å; C4-L66 HydrophobicContact CB-CD1 4.07Å; C4-L66 WeakPolarHBondContact SG-CD1 3.43Å
5	G	91.5	Very high	86	Confident	23 Å²	23	65.8 Å²	65.8	24%	0.237	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	170.6	178	0	0	0	0	0	110.9	L13 V14	G5-L13 WeakPolarHBondContact O-CD1 3.33Å; G5-V14 PolarHBondContact N-O 2.78Å; G5-V14 PolarHBondContact O-N 2.72Å
6	I	90.9	Very high	86.3	Confident	43 Å²	43	66.1 Å²	66.1	22%	0.221	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	148.8	-179.5	54.3	171	0	0	0	110	L13 L66 I69 F70 L73	I6-L13 HydrophobicContact CG2-CD1 3.92Å; I6-L66 HydrophobicContact CG1-CD2 4.43Å; I6-L66 HydrophobicContact CG2-CB 4.1Å; I6-L66 HydrophobicContact CG2-CD2 4.22Å; I6-I69 HydrophobicContact CD1-CB 4.23Å; I6-I69 HydrophobicContact CD1-CG2 3.77Å; I6-F70 HydrophobicContact CB-CD2 4.29Å; I6-F70 HydrophobicContact CD1-CB 3.92Å; I6-F70 HydrophobicContact CD1-CD2 4.42Å; I6-F70 HydrophobicContact CG2-CB 4.28Å; I6-L73 HydrophobicContact CD1-CD1 3.76Å
7	S	89.4	Confident	86.6	Confident	36 Å²	36	64.2 Å²	64.2	25%	0.252	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	112.9	173.9	177.9	0	0	0	0	108.7	S10 E11 S12	S7-S10 VanDerWaalsContact CB-OG 3.29Å; S7-S10 WeakPolarHBondContact CB-OG 3.29Å; S7-S10 PolarHBondContact OG-OG 3.02Å; S7-E11 WeakPolarHBondContact O-CA 3.43Å; S7-E11 PolarHBondContact O-N 2.91Å; S7-S12 PolarHBondContact N-O 2.93Å; S7-S12 PolarHBondContact O-N 3.09Å
8	I	85	Confident	86.7	Confident	81 Å²	81	66.6 Å²	66.6	42%	0.415	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-49.3	-179.8	-53.5	166.1	0	0	0	109.8	S10 E11 L73	I8-S10 PolarHBondContact O-N 2.97Å; I8-E11 PolarHBondContact O-N 3.03Å; I8-L73 HydrophobicContact CD1-CB 4.07Å; I8-L73 HydrophobicContact CD1-CD1 3.66Å; I8-L73 HydrophobicContact CD1-CD2 3.82Å; I8-L73 HydrophobicContact CD1-CG 4.06Å; I8-L73 HydrophobicContact CG1-CB 4.2Å; I8-L73 HydrophobicContact CG1-CD1 3.81Å; I8-L73 HydrophobicContact CG1-CG 4.47Å
9	N	85.6	Confident	86.7	Confident	164 Å²	164	72.9 Å²	72.9	88%	0.877	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.5	-175.9	-56.9	-1.6	0	0	0	114.3
10	S	86.4	Confident	86.8	Confident	52 Å²	52	73 Å²	73	36%	0.364	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	6.4	179.9	60.8	0	0	0	0	113	S7 I8 S12	S7-S10 VanDerWaalsContact CB-OG 3.29Å; S7-S10 WeakPolarHBondContact CB-OG 3.29Å; S7-S10 PolarHBondContact OG-OG 3.02Å; I8-S10 PolarHBondContact O-N 2.97Å; S10-S12 PolarHBondContact O-N 3.07Å; S10-S12 PolarHBondContact OG-OG 2.75Å
11	E	88.6	Confident	86.9	Confident	91 Å²	91	78.4 Å²	78.4	43%	0.425	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.1	49.6	-175.6	-63.1	176.4	162.8	0	0	111.8	S7 I8 L30 F70	S7-E11 WeakPolarHBondContact O-CA 3.43Å; S7-E11 PolarHBondContact O-N 2.91Å; I8-E11 PolarHBondContact O-N 3.03Å; E11-L30 PolarHBondContact O-N 2.93Å; E11-F70 HydrophobicContact CB-CE2 4.49Å; E11-F70 HydrophobicContact CB-CZ 3.91Å; E11-F70 HydrophobicContact CG-CZ 4.3Å
12	S	90.7	Very high	88.7	Confident	6 Å²	6	76.8 Å²	76.8	4%	0.042	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	141.3	-170.4	73.3	0	0	0	0	114.1	S7 S10 I28	S7-S12 PolarHBondContact N-O 2.93Å; S7-S12 PolarHBondContact O-N 3.09Å; S10-S12 PolarHBondContact O-N 3.07Å; S10-S12 PolarHBondContact OG-OG 2.75Å; S12-I28 CarbonylContact C-O 3.45Å; S12-I28 WeakPolarHBondContact CA-O 3.39Å; S12-I28 WeakPolarHBondContact CB-O 3.33Å
13	L	91.2	Very high	89.4	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	122.2	166.1	-175.4	70.7	0	0	0	108.8	G5 I6 L15 R27 I28 L30 L45 I55 L63 L66	G5-L13 WeakPolarHBondContact O-CD1 3.33Å; I6-L13 HydrophobicContact CG2-CD1 3.92Å; L13-L15 HydrophobicContact CD2-CD2 4Å; L13-L15 HydrophobicContact CD2-CG 4.4Å; L13-L15 HydrophobicContact CG-CD2 3.95Å; L13-L15 HydrophobicContact CG-CG 4.34Å; L13-R27 CarbonylContact O-C 3.59Å; L13-R27 WeakPolarHBondContact O-CA 3.16Å; L13-I28 HydrophobicContact CB-CB 4.33Å; L13-I28 PolarHBondContact N-O 2.93Å; L13-I28 PolarHBondContact O-N 3.49Å; L13-L30 HydrophobicContact CB-CD1 3.96Å; L13-L30 HydrophobicContact CB-CD2 4.3Å; L13-L30 HydrophobicContact CB-CG 4.07Å; L13-L45 HydrophobicContact CD2-CD2 4.28Å; L13-I55 HydrophobicContact CD2-CD1 3.86Å; L13-L63 HydrophobicContact CD1-CD1 4.31Å; L13-L63 HydrophobicContact CD2-CD1 3.81Å; L13-L66 HydrophobicContact CD1-CD1 4.3Å
14	V	92.2	Very high	89.6	Confident	22 Å²	22	74.4 Å²	74.4	13%	0.133	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	121.5	178.7	-175	0	0	0	0	108.9	C4 G5 K25 R27	C4-V14 CarbonylContact C-O 3.58Å; C4-V14 WeakPolarHBondContact CA-O 3.4Å; G5-V14 PolarHBondContact N-O 2.78Å; G5-V14 PolarHBondContact O-N 2.72Å; V14-K25 HydrophobicContact CG1-CD 4.3Å; V14-K25 VanDerWaalsContact CG1-CE 3.43Å; V14-K25 HydrophobicContact CG1-CG 4.02Å; V14-R27 HydrophobicContact CG2-CG 4.31Å
15	L	91.7	Very high	89.8	Confident	8 Å²	8	79 Å²	79	4%	0.042	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.2	178.6	-56.6	-179.6	0	0	0	109.4	C4 L13 K25 R26 I28 F54 I55 I58	C4-L15 HydrophobicContact CB-CD2 3.54Å; L13-L15 HydrophobicContact CD2-CD2 4Å; L13-L15 HydrophobicContact CD2-CG 4.4Å; L13-L15 HydrophobicContact CG-CD2 3.95Å; L13-L15 HydrophobicContact CG-CG 4.34Å; L15-K25 CarbonylContact O-C 3.49Å; L15-K25 WeakPolarHBondContact O-CA 3.45Å; L15-R26 HydrophobicContact CB-CB 4.48Å; L15-R26 PolarHBondContact N-O 3.31Å; L15-R26 PolarHBondContact O-N 3.44Å; L15-I28 HydrophobicContact CD1-CD1 3.59Å; L15-I28 HydrophobicContact CD1-CG1 4.46Å; L15-I28 HydrophobicContact CG-CD1 4.47Å; L15-F54 HydrophobicContact CD1-CB 3.71Å; L15-I55 HydrophobicContact CD1-CD1 4.34Å; L15-I58 HydrophobicContact CD1-CD1 4.31Å; L15-I58 HydrophobicContact CD2-CD1 3.23Å; L15-I58 HydrophobicContact CD2-CG1 4.33Å; L15-I58 HydrophobicContact CG-CD1 4.4Å
16	I	92.1	Very high	89.7	Confident	70 Å²	70	81.2 Å²	81.2	36%	0.359	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.3	173.6	-57	173.4	0	0	0	106.8	Q2 R3 R24 K25	Q2-I16 CarbonylContact C-O 3.52Å; Q2-I16 WeakPolarHBondContact CA-O 3.15Å; R3-I16 HydrophobicContact CB-CB 4.27Å; R3-I16 PolarHBondContact N-O 3.42Å; R3-I16 PolarHBondContact O-N 3.05Å; I16-R24 WeakPolarHBondContact CA-O 3.42Å; I16-K25 HydrophobicContact CG1-CG 4.48Å
17	Y	90	Very high	89.8	Confident	35 Å²	35	86.9 Å²	86.9	14%	0.137	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	156.2	-178	64.8	-83.6	0	0	0	110.3	R19 R24 R26 F54	Y17-R19 HydrophobicContact CD2-CB 4.45Å; Y17-R19 HydrophobicContact CE2-CB 4.14Å; Y17-R24 HydrophobicContact CD1-CB 4.39Å; Y17-R24 HydrophobicContact CD2-CB 4.33Å; Y17-R24 HydrophobicContact CE1-CB 3.87Å; Y17-R24 HydrophobicContact CE2-CB 3.81Å; Y17-R24 HydrophobicContact CE2-CG 4.28Å; Y17-R24 PolarHBondContact N-O 3.47Å; Y17-R24 PolarHBondContact O-N 3.27Å; Y17-R26 HydrophobicContact CE1-CB 3.98Å; Y17-F54 HydrophobicContact CD1-CD1 4.13Å; Y17-F54 HydrophobicContact CD1-CE1 4.37Å; Y17-F54 HydrophobicContact CD2-CE1 4.48Å; Y17-F54 AromaticContact CE1-CD1 3.85Å; Y17-F54 HydrophobicContact CE1-CD1 3.85Å; Y17-F54 AromaticContact CE1-CE1 3.71Å; Y17-F54 HydrophobicContact CE1-CE1 3.71Å; Y17-F54 HydrophobicContact CE2-CD1 4.41Å; Y17-F54 AromaticContact CE2-CE1 3.83Å; Y17-F54 HydrophobicContact CE2-CE1 3.83Å; Y17-F54 AromaticContact CZ-CE1 3.4Å; Y17-F54 VanDerWaalsContact CZ-CE1 3.4Å; Y17-F54 WeakPolarHBondContact OH-CE1 3.45Å
18	E	89.7	Confident	89.9	Confident	106 Å²	106	85.4 Å²	85.4	50%	0.495	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	136.5	174.1	-72.8	157.1	-163	0	0	109.4	M1 T23	M1-E18 PolarHBondContact N-OE1 3.34Å; M1-E18 PolarHBondContact N-OE2 3.05Å; E18-T23 HydrophobicContact CG-CG2 3.99Å
19	R	86.6	Confident	90.1	Very high	187 Å²	187	90.9 Å²	90.9	71%	0.706	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.9	101.4	171.1	-173.8	177.1	179.9	-178.1	0.2	108.2	Y17 K22 R24	Y17-R19 HydrophobicContact CD2-CB 4.45Å; Y17-R19 HydrophobicContact CE2-CB 4.14Å; R19-K22 PolarHBondContact N-O 3.36Å; R19-K22 PolarHBondContact O-N 3.15Å; R19-R24 HydrophobicContact CB-CG 4.28Å
20	G	88.2	Confident	90.2	Very high	74 Å²	74	83.5 Å²	83.5	76%	0.763	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	-131.1	-168.9	0	0	0	0	0	110.5	K22	G20-K22 VanDerWaalsContact C-N 3.28Å; G20-K22 PolarHBondContact O-N 3.3Å
21	L	89	Confident	90	Very high	188 Å²	188	85.5 Å²	85.5	98%	0.984	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	4.5	179.6	-62.2	171.2	0	0	0	114.2
22	K	91.3	Very high	89.5	Confident	132 Å²	132	82.4 Å²	82.4	57%	0.574	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.3	137.6	-174	-65.5	-175.7	-179.8	179.8	0	111.4	R19 G20	R19-K22 PolarHBondContact N-O 3.36Å; R19-K22 PolarHBondContact O-N 3.15Å; G20-K22 VanDerWaalsContact C-N 3.28Å; G20-K22 PolarHBondContact O-N 3.3Å
23	T	91.4	Very high	88.7	Confident	98 Å²	98	85.7 Å²	85.7	60%	0.601	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	139.3	166.8	53.1	0	0	0	0	109.9	E18	E18-T23 HydrophobicContact CG-CG2 3.99Å
24	R	91.9	Very high	87.9	Confident	119 Å²	119	91.4 Å²	91.4	45%	0.449	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	142.9	179.7	-64.4	-60.5	-174.9	-151.3	11.7	109.2	I16 Y17 R19	I16-R24 WeakPolarHBondContact CA-O 3.42Å; Y17-R24 HydrophobicContact CD1-CB 4.39Å; Y17-R24 HydrophobicContact CD2-CB 4.33Å; Y17-R24 HydrophobicContact CE1-CB 3.87Å; Y17-R24 HydrophobicContact CE2-CB 3.81Å; Y17-R24 HydrophobicContact CE2-CG 4.28Å; Y17-R24 PolarHBondContact N-O 3.47Å; Y17-R24 PolarHBondContact O-N 3.27Å; R19-R24 HydrophobicContact CB-CG 4.28Å
25	K	91.3	Very high	87.2	Confident	125 Å²	125	97.7 Å²	97.7	54%	0.543	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.4	175.7	-176.8	179.6	-177.6	174.3	0	108.4	V14 L15 I16	V14-K25 HydrophobicContact CG1-CD 4.3Å; V14-K25 VanDerWaalsContact CG1-CE 3.43Å; V14-K25 HydrophobicContact CG1-CG 4.02Å; L15-K25 CarbonylContact O-C 3.49Å; L15-K25 WeakPolarHBondContact O-CA 3.45Å; I16-K25 HydrophobicContact CG1-CG 4.48Å
26	R	90.8	Very high	86.7	Confident	68 Å²	68	97.8 Å²	97.8	26%	0.257	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137.8	172	-176.8	167.4	-175.5	137.4	-2.7	109	L15 Y17 I28 R50 H51 F54	L15-R26 HydrophobicContact CB-CB 4.48Å; L15-R26 PolarHBondContact N-O 3.31Å; L15-R26 PolarHBondContact O-N 3.44Å; Y17-R26 HydrophobicContact CE1-CB 3.98Å; R26-I28 HydrophobicContact CG-CG1 4.31Å; R26-R50 PolarHBondContact NH2-O 3.49Å; R26-R50 VanDerWaalsContact NH2-O 3.11Å; R26-H51 PolarHBondContact NH2-CD2 3.21Å; R26-H51 PolarHBondContact NH2-NE2 2.82Å; R26-H51 VanDerWaalsContact NH2-NE2 3.2Å; R26-F54 VanDerWaalsContact CZ-CE2 3.46Å
27	R	91.9	Very high	86.4	Confident	163 Å²	163	96.2 Å²	96.2	62%	0.615	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	132.4	171.4	-66.5	-174.2	173.8	133.3	-8.1	108.1	L13 V14	L13-R27 CarbonylContact O-C 3.59Å; L13-R27 WeakPolarHBondContact O-CA 3.16Å; V14-R27 HydrophobicContact CG2-CG 4.31Å
28	I	91.2	Very high	86.4	Confident	4 Å²	4	95.6 Å²	95.6	2%	0.021	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	119	176.4	-56.3	177.6	0	0	0	106.1	S12 L13 L15 R26 L30 L45 H51 I55	S12-I28 CarbonylContact C-O 3.45Å; S12-I28 WeakPolarHBondContact CA-O 3.39Å; S12-I28 WeakPolarHBondContact CB-O 3.33Å; L13-I28 HydrophobicContact CB-CB 4.33Å; L13-I28 PolarHBondContact N-O 2.93Å; L13-I28 PolarHBondContact O-N 3.49Å; L15-I28 HydrophobicContact CD1-CD1 3.59Å; L15-I28 HydrophobicContact CD1-CG1 4.46Å; L15-I28 HydrophobicContact CG-CD1 4.47Å; R26-I28 HydrophobicContact CG-CG1 4.31Å; I28-L30 PolarHBondContact O-N 3.35Å; I28-L45 HydrophobicContact CD1-CD1 4.42Å; I28-L45 HydrophobicContact CG2-CD1 3.86Å; I28-H51 HydrophobicContact CD1-CB 4.04Å; I28-I55 HydrophobicContact CD1-CD1 4.07Å; I28-I55 HydrophobicContact CD1-CG1 4.5Å
29	R	90.7	Very high	86.4	Confident	196 Å²	196	95.3 Å²	95.3	74%	0.74	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	128.9	176.3	-167.8	175.1	-176.7	-173.1	-0.5	108.9
30	L	87	Confident	86.5	Confident	9 Å²	9	91.5 Å²	91.5	5%	0.047	46%	0.463	C	S	.	.			trans	-101.5	120.3	174.5	-64.4	177.9	0	0	0	107.7	E11 L13 I28 L45 L67 F70	E11-L30 PolarHBondContact O-N 2.93Å; L13-L30 HydrophobicContact CB-CD1 3.96Å; L13-L30 HydrophobicContact CB-CD2 4.3Å; L13-L30 HydrophobicContact CB-CG 4.07Å; I28-L30 PolarHBondContact O-N 3.35Å; L30-L45 HydrophobicContact CD2-CD2 4.42Å; L30-L67 HydrophobicContact CD1-CD2 3.73Å; L30-L67 HydrophobicContact CD2-CD2 3.98Å; L30-F70 HydrophobicContact CB-CD1 4.25Å; L30-F70 HydrophobicContact CB-CE1 3.65Å; L30-F70 HydrophobicContact CB-CZ 4.07Å; L30-F70 HydrophobicContact CD1-CD1 3.78Å; L30-F70 HydrophobicContact CD1-CE1 3.97Å; L30-F70 HydrophobicContact CD1-CG 4.1Å; L30-F70 HydrophobicContact CD1-CZ 4.44Å; L30-F70 HydrophobicContact CG-CE1 4.5Å
31	S	81.8	Confident	86.6	Confident	94 Å²	94	88.9 Å²	88.9	66%	0.657	43%	0.432	S	S	*	.			trans	-97.4	109	165.5	-177.7	0	0	0	0	107.2	P33	S31-P33 WeakPolarHBondContact O-CD 3.43Å
32	M	78.2	Confident	86.7	Confident	27 Å²	27	81.8 Å²	81.8	13%	0.133	39%	0.393	C	S	.	.			trans	-109.6	96	174.3	-70.9	-67.4	-75.6	0	0	109.1	V38 T41 F70 K71	M32-V38 HydrophobicContact CE-CG2 4.41Å; M32-T41 HydrophobicContact CE-CG2 4.47Å; M32-T41 WeakPolarHBondContact CE-OG1 3.35Å; M32-T41 HydrophobicContact CG-CG2 4.44Å; M32-T41 WeakPolarHBondContact SD-CB 3.5Å; M32-T41 HydrophobicContact SD-CG2 3.14Å; M32-T41 WeakPolarHBondContact SD-CG2 3.29Å; M32-T41 PolarHBondContact SD-OG1 3.04Å; M32-F70 HydrophobicContact CB-CD1 4.48Å; M32-F70 HydrophobicContact CB-CE1 4.13Å; M32-F70 HydrophobicContact CG-CD1 3.56Å; M32-F70 HydrophobicContact CG-CE1 3.5Å; M32-F70 VanDerWaalsContact CG-CE1 3.5Å; M32-K71 HydrophobicContact CE-CB 3.79Å; M32-K71 HydrophobicContact CE-CD 4.05Å; M32-K71 HydrophobicContact CE-CG 4.07Å
33	P	74.8	Confident	86.7	Confident	74 Å²	74	82 Å²	82	48%	0.481	39%	0.394	S	S	.	.			trans	-57.7	143.7	166.6	-19.7	28.9	0	0	0	110.4	S31 N35 S36	S31-P33 WeakPolarHBondContact O-CD 3.43Å; P33-N35 PolarHBondContact O-N 3.43Å; P33-S36 WeakPolarHBondContact CD-OG 3.33Å; P33-S36 WeakPolarHBondContact O-CB 3.19Å; P33-S36 PolarHBondContact O-N 3Å; P33-S36 PolarHBondContact O-OG 2.97Å
34	Q	74.4	Confident	86.7	Confident	120 Å²	120	80.2 Å²	80.2	56%	0.561	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	-39.2	179.1	-167.9	63.6	24	0	0	112.8	N75	Q34-N75 VanDerWaalsContact CD-OD1 3.26Å; Q34-N75 PolarHBondContact NE2-OD1 3.2Å; Q34-N75 PolarHBondContact OE1-OD1 3.21Å; Q34-N75 VanDerWaalsContact OE1-OD1 3.09Å
35	N	77.1	Confident	86.6	Confident	154 Å²	154	75.1 Å²	75.1	82%	0.824	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-1.5	-174.9	-60.4	-12.3	0	0	0	113.9	P33	P33-N35 PolarHBondContact O-N 3.43Å
36	S	80.8	Confident	86.5	Confident	10 Å²	10	71.1 Å²	71.1	7%	0.07	36%	0.355	C	S	.	.			trans	-73.6	139.9	-179.4	64.1	0	0	0	0	111.5	P33 K71	P33-S36 WeakPolarHBondContact CD-OG 3.33Å; P33-S36 WeakPolarHBondContact O-CB 3.19Å; P33-S36 PolarHBondContact O-N 3Å; P33-S36 PolarHBondContact O-OG 2.97Å; S36-K71 PolarHBondContact O-NZ 2.96Å
37	S	87	Confident	86.5	Confident	38 Å²	38	71.5 Å²	71.5	27%	0.266	37%	0.373	S	S	.	.			trans	-76.5	147.7	170.3	73.4	0	0	0	0	110.2	I39 E40 T41	S37-I39 PolarHBondContact O-N 2.81Å; S37-E40 WeakPolarHBondContact CB-OE1 3.21Å; S37-E40 PolarHBondContact N-OE2 3.09Å; S37-E40 VanDerWaalsContact N-OE2 3.09Å; S37-E40 WeakPolarHBondContact O-CB 3.14Å; S37-E40 PolarHBondContact O-N 2.82Å; S37-E40 VanDerWaalsContact O-N 3.13Å; S37-E40 WeakPolarHBondContact OG-CB 3.45Å; S37-E40 WeakPolarHBondContact OG-CG 3.38Å; S37-E40 PolarHBondContact OG-N 2.76Å; S37-E40 VanDerWaalsContact OG-N 3.13Å; S37-E40 PolarHBondContact OG-OE1 2.8Å; S37-T41 PolarHBondContact O-N 2.75Å; S37-T41 PolarHBondContact O-OG1 3.31Å
38	V	88.5	Confident	86.4	Confident	22 Å²	22	66.6 Å²	66.6	13%	0.133	36%	0.359	C	S	.	.	H	α-helix	trans	-59.3	-30.3	175.8	174.8	0	0	0	0	111.2	M32 T41 Y42 L64 L67 K71	M32-V38 HydrophobicContact CE-CG2 4.41Å; V38-T41 PolarHBondContact O-OG1 3.16Å; V38-Y42 WeakPolarHBondContact O-CB 3.43Å; V38-Y42 PolarHBondContact O-N 2.8Å; V38-L64 HydrophobicContact CG1-CD2 4.11Å; V38-L67 HydrophobicContact CG1-CB 3.71Å; V38-K71 HydrophobicContact CG2-CB 4.46Å; V38-K71 HydrophobicContact CG2-CD 3.92Å
39	I	89.8	Confident	86.3	Confident	100 Å²	100	72 Å²	72	51%	0.513	39%	0.388	S	S	.	.	H	α-helix	trans	-70.6	-41.1	178.7	-59.9	172.5	0	0	0	110.5	S37 Y42 K43	S37-I39 PolarHBondContact O-N 2.81Å; I39-Y42 PolarHBondContact O-N 3.02Å; I39-K43 HydrophobicContact CG2-CD 4.37Å; I39-K43 WeakPolarHBondContact O-CG 3.43Å; I39-K43 PolarHBondContact O-N 2.93Å
40	E	90.4	Very high	86.2	Confident	106 Å²	106	71.4 Å²	71.4	50%	0.495	39%	0.386	S	S	.	.	H	α-helix	trans	-59.9	-45.5	174.5	-80.5	150	-137.7	0	0	111.7	S37 Y42 K43 A44	S37-E40 WeakPolarHBondContact CB-OE1 3.21Å; S37-E40 PolarHBondContact N-OE2 3.09Å; S37-E40 VanDerWaalsContact N-OE2 3.09Å; S37-E40 WeakPolarHBondContact O-CB 3.14Å; S37-E40 PolarHBondContact O-N 2.82Å; S37-E40 VanDerWaalsContact O-N 3.13Å; S37-E40 WeakPolarHBondContact OG-CB 3.45Å; S37-E40 WeakPolarHBondContact OG-CG 3.38Å; S37-E40 PolarHBondContact OG-N 2.76Å; S37-E40 VanDerWaalsContact OG-N 3.13Å; S37-E40 PolarHBondContact OG-OE1 2.8Å; E40-Y42 VanDerWaalsContact C-N 3.35Å; E40-Y42 PolarHBondContact O-N 2.81Å; E40-K43 PolarHBondContact O-N 3.34Å; E40-A44 WeakPolarHBondContact O-CB 3.46Å; E40-A44 PolarHBondContact O-N 3.36Å
41	T	89.6	Confident	86.3	Confident	19 Å²	19	72.6 Å²	72.6	12%	0.117	39%	0.391	C	S	.	.	H	α-helix	trans	-69.1	-34.3	178.4	20.5	0	0	0	0	113.1	M32 S37 V38 A44 L45	M32-T41 HydrophobicContact CE-CG2 4.47Å; M32-T41 WeakPolarHBondContact CE-OG1 3.35Å; M32-T41 HydrophobicContact CG-CG2 4.44Å; M32-T41 WeakPolarHBondContact SD-CB 3.5Å; M32-T41 HydrophobicContact SD-CG2 3.14Å; M32-T41 WeakPolarHBondContact SD-CG2 3.29Å; M32-T41 PolarHBondContact SD-OG1 3.04Å; S37-T41 PolarHBondContact O-N 2.75Å; S37-T41 PolarHBondContact O-OG1 3.31Å; V38-T41 PolarHBondContact O-OG1 3.16Å; T41-A44 PolarHBondContact O-N 2.94Å; T41-L45 WeakPolarHBondContact O-CB 3.22Å; T41-L45 PolarHBondContact O-N 2.88Å
42	Y	91.1	Very high	86.7	Confident	39 Å²	39	72.4 Å²	72.4	15%	0.153	38%	0.378	C	S	.	.	H	α-helix	trans	-60.8	-44.4	169.7	174.6	-108.9	0	0	0	111.8	V38 I39 E40 L45 L46 I55 K60 L63 L64 L67	V38-Y42 WeakPolarHBondContact O-CB 3.43Å; V38-Y42 PolarHBondContact O-N 2.8Å; I39-Y42 PolarHBondContact O-N 3.02Å; E40-Y42 VanDerWaalsContact C-N 3.35Å; E40-Y42 PolarHBondContact O-N 2.81Å; Y42-L45 PolarHBondContact O-N 3.33Å; Y42-L46 HydrophobicContact CD1-CD1 4.15Å; Y42-L46 HydrophobicContact CE1-CD1 3.52Å; Y42-L46 HydrophobicContact CE1-CG 4.5Å; Y42-L46 HydrophobicContact CE2-CD1 4.09Å; Y42-L46 HydrophobicContact CE2-CG 4.3Å; Y42-L46 VanDerWaalsContact CZ-CD1 3.49Å; Y42-L46 PolarHBondContact O-N 3.27Å; Y42-L46 VanDerWaalsContact O-N 3.1Å; Y42-I55 HydrophobicContact CE2-CG2 4.49Å; Y42-K60 HydrophobicContact CE1-CD 4.43Å; Y42-K60 HydrophobicContact CE1-CG 4.34Å; Y42-K60 HydrophobicContact CE2-CG 4.5Å; Y42-L63 HydrophobicContact CD2-CD2 3.8Å; Y42-L63 HydrophobicContact CD2-CG 4.29Å; Y42-L63 HydrophobicContact CE2-CD2 3.75Å; Y42-L64 HydrophobicContact CD1-CD2 4.37Å; Y42-L64 HydrophobicContact CD2-CD2 4.4Å; Y42-L64 HydrophobicContact CG-CD2 3.95Å; Y42-L67 HydrophobicContact CD2-CD1 4.5Å
43	K	91.3	Very high	87.2	Confident	138 Å²	138	76.8 Å²	76.8	60%	0.6	40%	0.398	S	S	*	.	H	α-helix	trans	-64.1	-43.8	176	-73.2	176.2	179.1	-179.7	0	112.2	I39 E40 L45 L46 A47	I39-K43 HydrophobicContact CG2-CD 4.37Å; I39-K43 WeakPolarHBondContact O-CG 3.43Å; I39-K43 PolarHBondContact O-N 2.93Å; E40-K43 PolarHBondContact O-N 3.34Å; K43-L45 VanDerWaalsContact C-N 3.26Å; K43-L45 PolarHBondContact O-N 3.28Å; K43-L46 PolarHBondContact O-N 3.49Å; K43-L46 VanDerWaalsContact O-N 3.16Å; K43-A47 PolarHBondContact O-N 2.97Å
44	A	90.3	Very high	87.9	Confident	60 Å²	60	74.2 Å²	74.2	50%	0.496	38%	0.379	S	S	.	.	H	α-helix	trans	-60.6	-38.8	177	0	0	0	0	0	111.7	E40 T41 L46 A47 D48	E40-A44 WeakPolarHBondContact O-CB 3.46Å; E40-A44 PolarHBondContact O-N 3.36Å; T41-A44 PolarHBondContact O-N 2.94Å; A44-L46 VanDerWaalsContact C-N 3.33Å; A44-L46 PolarHBondContact O-N 3.46Å; A44-A47 PolarHBondContact O-N 3.07Å; A44-D48 PolarHBondContact O-N 3.02Å
45	L	89.8	Confident	88.6	Confident	12 Å²	12	68.6 Å²	68.6	6%	0.063	35%	0.353	C	S	.	.	H	α-helix	trans	-69.6	-29.9	177.9	-175.9	55.9	0	0	0	113	L13 I28 L30 T41 Y42 K43 H51 I55 L63	L13-L45 HydrophobicContact CD2-CD2 4.28Å; I28-L45 HydrophobicContact CD1-CD1 4.42Å; I28-L45 HydrophobicContact CG2-CD1 3.86Å; L30-L45 HydrophobicContact CD2-CD2 4.42Å; T41-L45 WeakPolarHBondContact O-CB 3.22Å; T41-L45 PolarHBondContact O-N 2.88Å; Y42-L45 PolarHBondContact O-N 3.33Å; K43-L45 VanDerWaalsContact C-N 3.26Å; K43-L45 PolarHBondContact O-N 3.28Å; L45-H51 HydrophobicContact CD1-CB 3.84Å; L45-I55 HydrophobicContact CD1-CD1 3.9Å; L45-I55 HydrophobicContact CD1-CG1 3.94Å; L45-I55 HydrophobicContact CD2-CD1 3.39Å; L45-I55 HydrophobicContact CD2-CG1 4.04Å; L45-I55 HydrophobicContact CG-CD1 3.61Å; L45-I55 HydrophobicContact CG-CG1 3.67Å; L45-I55 HydrophobicContact CG-CG2 4.38Å; L45-L63 HydrophobicContact CD2-CD2 4.36Å
46	L	90.5	Very high	89.2	Confident	40 Å²	40	66.3 Å²	66.3	21%	0.209	34%	0.341	C	S	.	.	H	α-helix	trans	-78.8	-28	171.6	-75.3	175.9	0	0	0	113.6	Y42 K43 A44 D48 K52 I55	Y42-L46 HydrophobicContact CD1-CD1 4.15Å; Y42-L46 HydrophobicContact CE1-CD1 3.52Å; Y42-L46 HydrophobicContact CE1-CG 4.5Å; Y42-L46 HydrophobicContact CE2-CD1 4.09Å; Y42-L46 HydrophobicContact CE2-CG 4.3Å; Y42-L46 VanDerWaalsContact CZ-CD1 3.49Å; Y42-L46 PolarHBondContact O-N 3.27Å; Y42-L46 VanDerWaalsContact O-N 3.1Å; K43-L46 PolarHBondContact O-N 3.49Å; K43-L46 VanDerWaalsContact O-N 3.16Å; A44-L46 VanDerWaalsContact C-N 3.33Å; A44-L46 PolarHBondContact O-N 3.46Å; L46-D48 VanDerWaalsContact C-N 3.28Å; L46-K52 WeakPolarHBondContact O-CD 3.41Å; L46-I55 HydrophobicContact CD2-CB 4.47Å; L46-I55 HydrophobicContact CD2-CG2 3.7Å; L46-I55 HydrophobicContact CG-CG2 4.35Å
47	A	90.6	Very high	89.6	Confident	77 Å²	77	69.2 Å²	69.2	64%	0.636	36%	0.355	S	S	*	.	H	α-helix	trans	-70.1	-26.8	177.5	0	0	0	0	0	112.3	K43 A44 D49	K43-A47 PolarHBondContact O-N 2.97Å; A44-A47 PolarHBondContact O-N 3.07Å; A47-D49 PolarHBondContact O-N 2.88Å
48	D	90	Very high	89.6	Confident	59 Å²	59	68.3 Å²	68.3	32%	0.316	35%	0.347	S	S	.	.			trans	-80.5	104.6	174.3	-173.9	-12.3	0	0	0	111.3	A44 L46 R50 H51 K52	A44-D48 PolarHBondContact O-N 3.02Å; L46-D48 VanDerWaalsContact C-N 3.28Å; D48-R50 PolarHBondContact O-N 2.76Å; D48-R50 VanDerWaalsContact O-N 3.08Å; D48-R50 VanDerWaalsContact OD1-CB 3.22Å; D48-R50 WeakPolarHBondContact OD1-CB 3.45Å; D48-R50 WeakPolarHBondContact OD1-CG 3.38Å; D48-R50 PolarHBondContact OD1-N 2.99Å; D48-H51 HydrophobicContact CB-CB 4.4Å; D48-H51 PolarHBondContact O-N 3.31Å; D48-H51 IonicContact OD2-CE1 3.21Å; D48-H51 PolarHBondContact OD2-CE1 3.39Å; D48-H51 IonicContact OD2-CG 2.72Å; D48-H51 IonicContact OD2-ND1 2.93Å; D48-H51 PolarHBondContact OD2-ND1 2.94Å; D48-K52 WeakPolarHBondContact O-CB 3.49Å; D48-K52 PolarHBondContact O-N 3.4Å
49	D	89.5	Confident	89.7	Confident	119 Å²	119	70.8 Å²	70.8	64%	0.636	36%	0.364	S	S	*	.	H	α-helix	trans	-55.3	-28.1	178.9	-70.6	-37.8	0	0	0	113.6	A47 H51	A47-D49 PolarHBondContact O-N 2.88Å; D49-H51 VanDerWaalsContact C-N 3.25Å; D49-H51 PolarHBondContact O-N 3.24Å
50	R	88.8	Confident	89.7	Confident	183 Å²	183	72.1 Å²	72.1	69%	0.691	37%	0.366	S	S	*	.	H	α-helix	trans	-68	-30.7	178.7	-58.6	177.3	175	-176.5	0	111.5	R26 D48 F54	R26-R50 PolarHBondContact NH2-O 3.49Å; R26-R50 VanDerWaalsContact NH2-O 3.11Å; D48-R50 PolarHBondContact O-N 2.76Å; D48-R50 VanDerWaalsContact O-N 3.08Å; D48-R50 VanDerWaalsContact OD1-CB 3.22Å; D48-R50 WeakPolarHBondContact OD1-CB 3.45Å; D48-R50 WeakPolarHBondContact OD1-CG 3.38Å; D48-R50 PolarHBondContact OD1-N 2.99Å; R50-F54 WeakPolarHBondContact O-CD2 3.18Å; R50-F54 WeakPolarHBondContact O-CE2 3.45Å
51	H	88	Confident	89.7	Confident	33 Å²	33	71.9 Å²	71.9	15%	0.153	37%	0.372	C	S	.	.	H	α-helix	trans	-101.1	-33.9	-176.8	-64.4	130.5	0	0	0	112.3	R26 I28 L45 D48 D49 Q53 F54 I55	R26-H51 PolarHBondContact NH2-CD2 3.21Å; R26-H51 PolarHBondContact NH2-NE2 2.82Å; R26-H51 VanDerWaalsContact NH2-NE2 3.2Å; I28-H51 HydrophobicContact CD1-CB 4.04Å; L45-H51 HydrophobicContact CD1-CB 3.84Å; D48-H51 HydrophobicContact CB-CB 4.4Å; D48-H51 PolarHBondContact O-N 3.31Å; D48-H51 IonicContact OD2-CE1 3.21Å; D48-H51 PolarHBondContact OD2-CE1 3.39Å; D48-H51 IonicContact OD2-CG 2.72Å; D48-H51 IonicContact OD2-ND1 2.93Å; D48-H51 PolarHBondContact OD2-ND1 2.94Å; D49-H51 VanDerWaalsContact C-N 3.25Å; D49-H51 PolarHBondContact O-N 3.24Å; H51-Q53 VanDerWaalsContact C-N 3.27Å; H51-Q53 PolarHBondContact O-N 2.94Å; H51-Q53 VanDerWaalsContact O-N 3.1Å; H51-F54 WeakPolarHBondContact O-CA 3.46Å; H51-F54 PolarHBondContact O-N 3.08Å; H51-I55 HydrophobicContact CB-CG1 4.29Å; H51-I55 VanDerWaalsContact O-CG1 3.25Å; H51-I55 WeakPolarHBondContact O-CG1 3.35Å; H51-I55 PolarHBondContact O-N 2.72Å
52	K	89.6	Confident	89.7	Confident	91 Å²	91	74 Å²	74	40%	0.396	38%	0.38	S	S	.	.	H	α-helix	trans	-43.1	-48.5	-178.9	-172.8	179.2	-175	174.9	0	113.8	L46 D48 F54 I55 N56	L46-K52 WeakPolarHBondContact O-CD 3.41Å; D48-K52 WeakPolarHBondContact O-CB 3.49Å; D48-K52 PolarHBondContact O-N 3.4Å; K52-F54 VanDerWaalsContact C-N 3.26Å; K52-F54 PolarHBondContact O-N 3.08Å; K52-I55 PolarHBondContact O-N 3.11Å; K52-I55 VanDerWaalsContact O-N 3.17Å; K52-N56 VanDerWaalsContact O-CG 3.31Å; K52-N56 PolarHBondContact O-N 2.89Å
53	Q	89.4	Confident	89.7	Confident	119 Å²	119	72.2 Å²	72.2	56%	0.556	37%	0.373	S	S	*	.	H	α-helix	trans	-60.4	-31.9	179.8	70.8	-177.2	-55.8	0	0	113.8	H51 L57	H51-Q53 VanDerWaalsContact C-N 3.27Å; H51-Q53 PolarHBondContact O-N 2.94Å; H51-Q53 VanDerWaalsContact O-N 3.1Å; Q53-L57 WeakPolarHBondContact O-CG 3.49Å
54	F	89.1	Confident	89.7	Confident	19 Å²	19	67.5 Å²	67.5	8%	0.083	36%	0.355	C	S	.	.	H	α-helix	trans	-86.9	-28.2	178.6	-57.9	-76.9	0	0	0	112.1	L15 Y17 R26 R50 H51 K52 L57	L15-F54 HydrophobicContact CD1-CB 3.71Å; Y17-F54 HydrophobicContact CD1-CD1 4.13Å; Y17-F54 HydrophobicContact CD1-CE1 4.37Å; Y17-F54 HydrophobicContact CD2-CE1 4.48Å; Y17-F54 AromaticContact CE1-CD1 3.85Å; Y17-F54 HydrophobicContact CE1-CD1 3.85Å; Y17-F54 AromaticContact CE1-CE1 3.71Å; Y17-F54 HydrophobicContact CE1-CE1 3.71Å; Y17-F54 HydrophobicContact CE2-CD1 4.41Å; Y17-F54 AromaticContact CE2-CE1 3.83Å; Y17-F54 HydrophobicContact CE2-CE1 3.83Å; Y17-F54 AromaticContact CZ-CE1 3.4Å; Y17-F54 VanDerWaalsContact CZ-CE1 3.4Å; Y17-F54 WeakPolarHBondContact OH-CE1 3.45Å; R26-F54 VanDerWaalsContact CZ-CE2 3.46Å; R50-F54 WeakPolarHBondContact O-CD2 3.18Å; R50-F54 WeakPolarHBondContact O-CE2 3.45Å; H51-F54 WeakPolarHBondContact O-CA 3.46Å; H51-F54 PolarHBondContact O-N 3.08Å; K52-F54 VanDerWaalsContact C-N 3.26Å; K52-F54 PolarHBondContact O-N 3.08Å; F54-L57 HydrophobicContact CD1-CD1 4.39Å; F54-L57 WeakPolarHBondContact O-CB 3.35Å; F54-L57 PolarHBondContact O-N 2.76Å
55	I	89.9	Confident	89.7	Confident	3 Å²	3	69.9 Å²	69.9	2%	0.015	35%	0.351	C	S	.	.	H	α-helix	trans	-75.1	-37.4	-178.4	-65.8	-64.5	0	0	0	110.6	L13 L15 I28 Y42 L45 L46 H51 K52 L57 I58 L63	L13-I55 HydrophobicContact CD2-CD1 3.86Å; L15-I55 HydrophobicContact CD1-CD1 4.34Å; I28-I55 HydrophobicContact CD1-CD1 4.07Å; I28-I55 HydrophobicContact CD1-CG1 4.5Å; Y42-I55 HydrophobicContact CE2-CG2 4.49Å; L45-I55 HydrophobicContact CD1-CD1 3.9Å; L45-I55 HydrophobicContact CD1-CG1 3.94Å; L45-I55 HydrophobicContact CD2-CD1 3.39Å; L45-I55 HydrophobicContact CD2-CG1 4.04Å; L45-I55 HydrophobicContact CG-CD1 3.61Å; L45-I55 HydrophobicContact CG-CG1 3.67Å; L45-I55 HydrophobicContact CG-CG2 4.38Å; L46-I55 HydrophobicContact CD2-CB 4.47Å; L46-I55 HydrophobicContact CD2-CG2 3.7Å; L46-I55 HydrophobicContact CG-CG2 4.35Å; H51-I55 HydrophobicContact CB-CG1 4.29Å; H51-I55 VanDerWaalsContact O-CG1 3.25Å; H51-I55 WeakPolarHBondContact O-CG1 3.35Å; H51-I55 PolarHBondContact O-N 2.72Å; K52-I55 PolarHBondContact O-N 3.11Å; K52-I55 VanDerWaalsContact O-N 3.17Å; I55-L57 PolarHBondContact O-N 2.77Å; I55-L57 VanDerWaalsContact O-N 3.16Å; I55-I58 PolarHBondContact O-N 2.78Å; I55-I58 VanDerWaalsContact O-N 3.08Å; I55-L63 HydrophobicContact CD1-CD2 4.16Å; I55-L63 HydrophobicContact CG2-CD2 3.54Å
56	N	89.6	Confident	89.7	Confident	106 Å²	106	70.3 Å²	70.3	57%	0.567	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-16.4	171.8	-71	-9.3	0	0	0	113.6	K52 I58	K52-N56 VanDerWaalsContact O-CG 3.31Å; K52-N56 PolarHBondContact O-N 2.89Å; N56-I58 VanDerWaalsContact C-N 3.26Å
57	L	87.9	Confident	89.7	Confident	71 Å²	71	68.4 Å²	68.4	37%	0.372	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-14.7	175.9	-58.3	176.1	0	0	0	112.6	Q2 Q53 F54 I55	Q2-L57 PolarHBondContact OE1-O 2.73Å; Q53-L57 WeakPolarHBondContact O-CG 3.49Å; F54-L57 HydrophobicContact CD1-CD1 4.39Å; F54-L57 WeakPolarHBondContact O-CB 3.35Å; F54-L57 PolarHBondContact O-N 2.76Å; I55-L57 PolarHBondContact O-N 2.77Å; I55-L57 VanDerWaalsContact O-N 3.16Å
58	I	88.7	Confident	89.7	Confident	19 Å²	19	65.6 Å²	65.6	10%	0.097	32%	0.318	C	S	.	.	S	Bend	trans	-106.3	133.6	-174.9	-51.9	165.5	0	0	0	108.2	C4 L15 I55 N56 K60 Q62 L63	C4-I58 HydrophobicContact CB-CD1 3.98Å; C4-I58 HydrophobicContact CB-CG1 4.47Å; L15-I58 HydrophobicContact CD1-CD1 4.31Å; L15-I58 HydrophobicContact CD2-CD1 3.23Å; L15-I58 HydrophobicContact CD2-CG1 4.33Å; L15-I58 HydrophobicContact CG-CD1 4.4Å; I55-I58 PolarHBondContact O-N 2.78Å; I55-I58 VanDerWaalsContact O-N 3.08Å; N56-I58 VanDerWaalsContact C-N 3.26Å; I58-K60 PolarHBondContact O-N 2.91Å; I58-Q62 HydrophobicContact CG2-CB 4.23Å; I58-Q62 HydrophobicContact CG2-CG 4.28Å; I58-L63 HydrophobicContact CG2-CB 4.06Å
59	P	90.4	Very high	89.7	Confident	73 Å²	73	63.6 Å²	63.6	47%	0.474	31%	0.307	S	S	.	.			trans	-52.9	132.4	171.2	-25.5	34	0	0	0	111.3	T61 Q62 L63	P59-T61 PolarHBondContact O-N 3.16Å; P59-Q62 HydrophobicContact CB-CB 4.21Å; P59-Q62 PolarHBondContact O-N 3.13Å; P59-L63 PolarHBondContact O-N 3.38Å
60	K	90.1	Very high	89.8	Confident	128 Å²	128	58 Å²	58	56%	0.557	28%	0.277	S	S	*	.	H	α-helix	trans	-52.2	-43	-179	178.6	-179.4	174.7	-169.7	0	112	Y42 I58 L63 L64	Y42-K60 HydrophobicContact CE1-CD 4.43Å; Y42-K60 HydrophobicContact CE1-CG 4.34Å; Y42-K60 HydrophobicContact CE2-CG 4.5Å; I58-K60 PolarHBondContact O-N 2.91Å; K60-L63 PolarHBondContact O-N 2.82Å; K60-L64 HydrophobicContact CG-CD1 3.87Å; K60-L64 HydrophobicContact CG-CG 4.34Å; K60-L64 WeakPolarHBondContact O-CB 3.36Å; K60-L64 VanDerWaalsContact O-CG 3.31Å; K60-L64 WeakPolarHBondContact O-CG 3.45Å; K60-L64 PolarHBondContact O-N 3.2Å
61	T	88.9	Confident	89.8	Confident	101 Å²	101	51.6 Å²	51.6	62%	0.62	25%	0.254	S	S	*	.	H	α-helix	trans	-59.3	-48.1	178.1	51.4	0	0	0	0	112.1	P59 L63 R65	P59-T61 PolarHBondContact O-N 3.16Å; T61-L63 PolarHBondContact O-N 3.45Å; T61-R65 WeakPolarHBondContact O-CB 3.39Å; T61-R65 PolarHBondContact O-N 2.92Å
62	Q	90	Very high	89.9	Confident	64 Å²	64	50.4 Å²	50.4	30%	0.299	25%	0.249	S	C	.	.	H	α-helix	trans	-63	-42.2	178.1	-177.3	175.1	9.8	0	0	111.9	C4 I58 P59 R65 L66	C4-Q62 PolarHBondContact SG-NE2 3.18Å; I58-Q62 HydrophobicContact CG2-CB 4.23Å; I58-Q62 HydrophobicContact CG2-CG 4.28Å; P59-Q62 HydrophobicContact CB-CB 4.21Å; P59-Q62 PolarHBondContact O-N 3.13Å; Q62-R65 WeakPolarHBondContact O-CB 3.45Å; Q62-R65 PolarHBondContact O-N 3.49Å; Q62-L66 WeakPolarHBondContact O-CG 3.44Å; Q62-L66 PolarHBondContact O-N 3.24Å
63	L	90.7	Very high	89.9	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-68.8	-45.4	-180	-178.1	57.3	0	0	0	112.1	L13 Y42 L45 I55 I58 P59 K60 T61 R65 L66 L67	L13-L63 HydrophobicContact CD1-CD1 4.31Å; L13-L63 HydrophobicContact CD2-CD1 3.81Å; Y42-L63 HydrophobicContact CD2-CD2 3.8Å; Y42-L63 HydrophobicContact CD2-CG 4.29Å; Y42-L63 HydrophobicContact CE2-CD2 3.75Å; L45-L63 HydrophobicContact CD2-CD2 4.36Å; I55-L63 HydrophobicContact CD1-CD2 4.16Å; I55-L63 HydrophobicContact CG2-CD2 3.54Å; I58-L63 HydrophobicContact CG2-CB 4.06Å; P59-L63 PolarHBondContact O-N 3.38Å; K60-L63 PolarHBondContact O-N 2.82Å; T61-L63 PolarHBondContact O-N 3.45Å; L63-R65 PolarHBondContact O-N 3.36Å; L63-L66 PolarHBondContact O-N 3.13Å; L63-L66 VanDerWaalsContact O-N 3.16Å; L63-L67 HydrophobicContact CD1-CD1 4.46Å; L63-L67 HydrophobicContact CD1-CG 4.25Å; L63-L67 HydrophobicContact CG-CD1 4.23Å; L63-L67 HydrophobicContact CG-CG 4.46Å; L63-L67 WeakPolarHBondContact O-CG 3.49Å; L63-L67 PolarHBondContact O-N 3.19Å
64	L	91.1	Very high	89.8	Confident	40 Å²	40	44 Å²	44	21%	0.209	23%	0.226	C	C	.	.	H	α-helix	trans	-59.7	-38.1	175	-72.5	173.8	0	0	0	111.5	V38 Y42 K60 L67 T68	V38-L64 HydrophobicContact CG1-CD2 4.11Å; Y42-L64 HydrophobicContact CD1-CD2 4.37Å; Y42-L64 HydrophobicContact CD2-CD2 4.4Å; Y42-L64 HydrophobicContact CG-CD2 3.95Å; K60-L64 HydrophobicContact CG-CD1 3.87Å; K60-L64 HydrophobicContact CG-CG 4.34Å; K60-L64 WeakPolarHBondContact O-CB 3.36Å; K60-L64 VanDerWaalsContact O-CG 3.31Å; K60-L64 WeakPolarHBondContact O-CG 3.45Å; K60-L64 PolarHBondContact O-N 3.2Å; L64-L67 PolarHBondContact O-N 3.04Å; L64-T68 WeakPolarHBondContact O-CB 3.46Å; L64-T68 PolarHBondContact O-N 3.32Å; L64-T68 PolarHBondContact O-OG1 2.7Å
65	R	90.3	Very high	89.7	Confident	109 Å²	109	46.3 Å²	46.3	41%	0.411	24%	0.24	S	C	.	.	H	α-helix	trans	-59.9	-50.2	173.8	-170.9	174.5	73	-177.8	3.2	111.4	T61 Q62 L63 L67 T68 I69	T61-R65 WeakPolarHBondContact O-CB 3.39Å; T61-R65 PolarHBondContact O-N 2.92Å; Q62-R65 WeakPolarHBondContact O-CB 3.45Å; Q62-R65 PolarHBondContact O-N 3.49Å; L63-R65 PolarHBondContact O-N 3.36Å; R65-L67 PolarHBondContact O-N 2.94Å; R65-T68 PolarHBondContact O-N 3.1Å; R65-I69 HydrophobicContact CG-CD1 4.05Å; R65-I69 WeakPolarHBondContact O-CG1 3.49Å; R65-I69 PolarHBondContact O-N 3.31Å
66	L	90.9	Very high	89.5	Confident	22 Å²	22	49.3 Å²	49.3	12%	0.115	27%	0.271	C	S	.	.	H	α-helix	trans	-61.1	-44.2	177.6	-75.5	171.8	0	0	0	112.7	C4 I6 L13 Q62 L63 T68 I69 F70	C4-L66 HydrophobicContact CB-CD1 4.07Å; C4-L66 WeakPolarHBondContact SG-CD1 3.43Å; I6-L66 HydrophobicContact CG1-CD2 4.43Å; I6-L66 HydrophobicContact CG2-CB 4.1Å; I6-L66 HydrophobicContact CG2-CD2 4.22Å; L13-L66 HydrophobicContact CD1-CD1 4.3Å; Q62-L66 WeakPolarHBondContact O-CG 3.44Å; Q62-L66 PolarHBondContact O-N 3.24Å; L63-L66 PolarHBondContact O-N 3.13Å; L63-L66 VanDerWaalsContact O-N 3.16Å; L66-T68 VanDerWaalsContact C-N 3.28Å; L66-T68 PolarHBondContact O-N 2.83Å; L66-I69 PolarHBondContact O-N 3.4Å; L66-F70 VanDerWaalsContact O-CB 3.29Å; L66-F70 WeakPolarHBondContact O-CB 3.45Å; L66-F70 PolarHBondContact O-N 3.46Å
67	L	90.9	Very high	89.5	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.5	-33.7	179.2	-70.5	175	0	0	0	112.4	L30 V38 Y42 L63 L64 R65 K71	L30-L67 HydrophobicContact CD1-CD2 3.73Å; L30-L67 HydrophobicContact CD2-CD2 3.98Å; V38-L67 HydrophobicContact CG1-CB 3.71Å; Y42-L67 HydrophobicContact CD2-CD1 4.5Å; L63-L67 HydrophobicContact CD1-CD1 4.46Å; L63-L67 HydrophobicContact CD1-CG 4.25Å; L63-L67 HydrophobicContact CG-CD1 4.23Å; L63-L67 HydrophobicContact CG-CG 4.46Å; L63-L67 WeakPolarHBondContact O-CG 3.49Å; L63-L67 PolarHBondContact O-N 3.19Å; L64-L67 PolarHBondContact O-N 3.04Å; R65-L67 PolarHBondContact O-N 2.94Å; L67-K71 PolarHBondContact O-N 3.42Å
68	T	90.2	Very high	89.6	Confident	18 Å²	18	49.3 Å²	49.3	11%	0.11	27%	0.27	C	S	.	.	H	α-helix	trans	-72.9	-46.1	176.5	-55.6	0	0	0	0	111.8	L64 R65 L66 F70 K71 D72 R86	L64-T68 WeakPolarHBondContact O-CB 3.46Å; L64-T68 PolarHBondContact O-N 3.32Å; L64-T68 PolarHBondContact O-OG1 2.7Å; R65-T68 PolarHBondContact O-N 3.1Å; L66-T68 VanDerWaalsContact C-N 3.28Å; L66-T68 PolarHBondContact O-N 2.83Å; T68-F70 PolarHBondContact O-N 3.5Å; T68-K71 WeakPolarHBondContact O-CA 3.33Å; T68-K71 WeakPolarHBondContact O-CB 3.46Å; T68-K71 PolarHBondContact O-N 3Å; T68-D72 PolarHBondContact O-N 3.17Å; T68-R86 PolarHBondContact OG1-NH2 3.02Å
69	I	90.6	Very high	89.6	Confident	17 Å²	17	53.2 Å²	53.2	9%	0.087	29%	0.29	C	S	.	.	H	α-helix	trans	-56.9	-43.6	174.3	-67	166.8	0	0	0	109	I6 R65 L66 K71 D72 L73 I79	I6-I69 HydrophobicContact CD1-CB 4.23Å; I6-I69 HydrophobicContact CD1-CG2 3.77Å; R65-I69 HydrophobicContact CG-CD1 4.05Å; R65-I69 WeakPolarHBondContact O-CG1 3.49Å; R65-I69 PolarHBondContact O-N 3.31Å; L66-I69 PolarHBondContact O-N 3.4Å; I69-K71 PolarHBondContact O-N 3.29Å; I69-D72 PolarHBondContact O-N 2.83Å; I69-L73 HydrophobicContact CG2-CD1 3.64Å; I69-L73 HydrophobicContact CG2-CG 4.27Å; I69-L73 WeakPolarHBondContact O-CB 3.32Å; I69-L73 WeakPolarHBondContact O-CD1 3.25Å; I69-L73 WeakPolarHBondContact O-CG 3.41Å; I69-L73 PolarHBondContact O-N 3.16Å; I69-I79 HydrophobicContact CG2-CD1 3.68Å
70	F	90.6	Very high	89.6	Confident	1 Å²	1	53 Å²	53	0%	0.004	29%	0.29	C	S	.	.	H	α-helix	trans	-59.2	-44.8	175.2	-176.5	-105.4	0	0	0	112.4	I6 E11 L30 M32 L66 T68 D72 L73 C74	I6-F70 HydrophobicContact CB-CD2 4.29Å; I6-F70 HydrophobicContact CD1-CB 3.92Å; I6-F70 HydrophobicContact CD1-CD2 4.42Å; I6-F70 HydrophobicContact CG2-CB 4.28Å; E11-F70 HydrophobicContact CB-CE2 4.49Å; E11-F70 HydrophobicContact CB-CZ 3.91Å; E11-F70 HydrophobicContact CG-CZ 4.3Å; L30-F70 HydrophobicContact CB-CD1 4.25Å; L30-F70 HydrophobicContact CB-CE1 3.65Å; L30-F70 HydrophobicContact CB-CZ 4.07Å; L30-F70 HydrophobicContact CD1-CD1 3.78Å; L30-F70 HydrophobicContact CD1-CE1 3.97Å; L30-F70 HydrophobicContact CD1-CG 4.1Å; L30-F70 HydrophobicContact CD1-CZ 4.44Å; L30-F70 HydrophobicContact CG-CE1 4.5Å; M32-F70 HydrophobicContact CB-CD1 4.48Å; M32-F70 HydrophobicContact CB-CE1 4.13Å; M32-F70 HydrophobicContact CG-CD1 3.56Å; M32-F70 HydrophobicContact CG-CE1 3.5Å; M32-F70 VanDerWaalsContact CG-CE1 3.5Å; L66-F70 VanDerWaalsContact O-CB 3.29Å; L66-F70 WeakPolarHBondContact O-CB 3.45Å; L66-F70 PolarHBondContact O-N 3.46Å; T68-F70 PolarHBondContact O-N 3.5Å; F70-D72 PolarHBondContact O-N 2.89Å; F70-L73 PolarHBondContact O-N 2.99Å; F70-C74 PolarHBondContact O-N 3.34Å; F70-C74 PolarHBondContact O-SG 3.21Å
71	K	89.4	Confident	89.5	Confident	48 Å²	48	50.5 Å²	50.5	21%	0.209	28%	0.283	C	S	.	.	H	α-helix	trans	-58.3	-47.7	174.2	-174.5	174.6	176.3	169.2	0	112.2	M32 S36 V38 L67 T68 I69 L73 C74 N75	M32-K71 HydrophobicContact CE-CB 3.79Å; M32-K71 HydrophobicContact CE-CD 4.05Å; M32-K71 HydrophobicContact CE-CG 4.07Å; S36-K71 PolarHBondContact O-NZ 2.96Å; V38-K71 HydrophobicContact CG2-CB 4.46Å; V38-K71 HydrophobicContact CG2-CD 3.92Å; L67-K71 PolarHBondContact O-N 3.42Å; T68-K71 WeakPolarHBondContact O-CA 3.33Å; T68-K71 WeakPolarHBondContact O-CB 3.46Å; T68-K71 PolarHBondContact O-N 3Å; I69-K71 PolarHBondContact O-N 3.29Å; K71-L73 VanDerWaalsContact C-N 3.31Å; K71-L73 PolarHBondContact O-N 2.95Å; K71-C74 PolarHBondContact O-N 3.32Å; K71-N75 PolarHBondContact O-N 3.24Å; K71-N75 PolarHBondContact O-ND2 3.24Å; K71-N75 PolarHBondContact O-OD1 2.96Å
72	D	90.1	Very high	89.4	Confident	9 Å²	9	45.7 Å²	45.7	5%	0.048	25%	0.254	C	S	.	.	H	α-helix	trans	-62.6	-41.1	-179.1	-69.1	-16	0	0	0	110.8	T68 I69 F70 N75 G76 M77 R85	T68-D72 PolarHBondContact O-N 3.17Å; I69-D72 PolarHBondContact O-N 2.83Å; F70-D72 PolarHBondContact O-N 2.89Å; D72-N75 WeakPolarHBondContact O-CB 3.42Å; D72-N75 PolarHBondContact O-N 3.34Å; D72-N75 VanDerWaalsContact O-N 3.15Å; D72-G76 PolarHBondContact O-N 2.86Å; D72-M77 HydrophobicContact CB-CB 4.13Å; D72-M77 HydrophobicContact CB-SD 3.96Å; D72-M77 WeakPolarHBondContact O-CB 3.37Å; D72-M77 PolarHBondContact O-N 3.1Å; D72-R85 VanDerWaalsContact CG-NH1 3.28Å; D72-R85 IonicContact OD1-NH1 2.94Å; D72-R85 PolarHBondContact OD1-NH1 3.04Å; D72-R85 IonicContact OD2-NH1 3.77Å; D72-R85 PolarHBondContact OD2-NH1 2.92Å
73	L	89.2	Confident	89.3	Confident	22 Å²	22	46.5 Å²	46.5	12%	0.115	26%	0.259	C	S	.	.	H	α-helix	trans	-66.1	-39.5	175.9	-66.5	162.5	0	0	0	112.5	I6 I8 I69 F70 K71 N75 G76 I79	I6-L73 HydrophobicContact CD1-CD1 3.76Å; I8-L73 HydrophobicContact CD1-CB 4.07Å; I8-L73 HydrophobicContact CD1-CD1 3.66Å; I8-L73 HydrophobicContact CD1-CD2 3.82Å; I8-L73 HydrophobicContact CD1-CG 4.06Å; I8-L73 HydrophobicContact CG1-CB 4.2Å; I8-L73 HydrophobicContact CG1-CD1 3.81Å; I8-L73 HydrophobicContact CG1-CG 4.47Å; I69-L73 HydrophobicContact CG2-CD1 3.64Å; I69-L73 HydrophobicContact CG2-CG 4.27Å; I69-L73 WeakPolarHBondContact O-CB 3.32Å; I69-L73 WeakPolarHBondContact O-CD1 3.25Å; I69-L73 WeakPolarHBondContact O-CG 3.41Å; I69-L73 PolarHBondContact O-N 3.16Å; F70-L73 PolarHBondContact O-N 2.99Å; K71-L73 VanDerWaalsContact C-N 3.31Å; K71-L73 PolarHBondContact O-N 2.95Å; L73-N75 PolarHBondContact O-N 3.29Å; L73-G76 PolarHBondContact O-N 2.85Å; L73-I79 HydrophobicContact CD1-CD1 3.88Å; L73-I79 HydrophobicContact CD2-CB 4.1Å; L73-I79 HydrophobicContact CD2-CD1 4.05Å; L73-I79 HydrophobicContact CG-CD1 4.41Å
74	C	86.5	Confident	89.1	Confident	52 Å²	52	50 Å²	50	35%	0.351	28%	0.278	S	S	.	.	H	α-helix	trans	-62.2	-30.4	172.6	-72.1	0	0	0	0	112.2	F70 K71 G76	F70-C74 PolarHBondContact O-N 3.34Å; F70-C74 PolarHBondContact O-SG 3.21Å; K71-C74 PolarHBondContact O-N 3.32Å; C74-G76 PolarHBondContact O-N 3.01Å
75	N	87.2	Confident	88.6	Confident	69 Å²	69	54 Å²	54	37%	0.369	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	2.9	175.2	-62	-21.7	0	0	0	113.4	Q34 K71 D72 L73	Q34-N75 VanDerWaalsContact CD-OD1 3.26Å; Q34-N75 PolarHBondContact NE2-OD1 3.2Å; Q34-N75 PolarHBondContact OE1-OD1 3.21Å; Q34-N75 VanDerWaalsContact OE1-OD1 3.09Å; K71-N75 PolarHBondContact O-N 3.24Å; K71-N75 PolarHBondContact O-ND2 3.24Å; K71-N75 PolarHBondContact O-OD1 2.96Å; D72-N75 WeakPolarHBondContact O-CB 3.42Å; D72-N75 PolarHBondContact O-N 3.34Å; D72-N75 VanDerWaalsContact O-N 3.15Å; L73-N75 PolarHBondContact O-N 3.29Å
76	G	86.9	Confident	87.6	Confident	65 Å²	65	50.9 Å²	50.9	67%	0.67	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	13.2	-178.7	0	0	0	0	0	114.6	D72 L73 C74	D72-G76 PolarHBondContact O-N 2.86Å; L73-G76 PolarHBondContact O-N 2.85Å; C74-G76 PolarHBondContact O-N 3.01Å
77	M	89	Confident	86.5	Confident	71 Å²	71	56 Å²	56	35%	0.35	30%	0.3	S	S	.	.			trans	-74.4	146.7	173.5	-169.1	174.3	-72.6	0	0	110.7	D72 D81	D72-M77 HydrophobicContact CB-CB 4.13Å; D72-M77 HydrophobicContact CB-SD 3.96Å; D72-M77 WeakPolarHBondContact O-CB 3.37Å; D72-M77 PolarHBondContact O-N 3.1Å; M77-D81 HydrophobicContact CG-CB 3.93Å; M77-D81 HydrophobicContact SD-CB 4.3Å
78	N	90.8	Very high	84.9	Confident	106 Å²	106	62.1 Å²	62.1	57%	0.567	33%	0.329	S	S	*	.			trans	-71	151.4	174.3	-57.4	-55	0	0	0	111.4	S80 D81 S82	N78-S80 VanDerWaalsContact C-N 3.29Å; N78-S80 PolarHBondContact O-N 3.4Å; N78-D81 HydrophobicContact CB-CB 4.47Å; N78-D81 WeakPolarHBondContact CB-OD2 3.31Å; N78-D81 PolarHBondContact ND2-OD2 3.3Å; N78-D81 PolarHBondContact O-N 3.36Å; N78-S82 PolarHBondContact O-N 3.02Å
79	I	88.8	Confident	83.3	Confident	102 Å²	102	64.7 Å²	64.7	52%	0.523	34%	0.344	S	S	.	.	H	α-helix	trans	-58.4	-40.5	177.5	-170.2	70	0	0	0	112.4	I69 L73 S82 L83	I69-I79 HydrophobicContact CG2-CD1 3.68Å; L73-I79 HydrophobicContact CD1-CD1 3.88Å; L73-I79 HydrophobicContact CD2-CB 4.1Å; L73-I79 HydrophobicContact CD2-CD1 4.05Å; L73-I79 HydrophobicContact CG-CD1 4.41Å; I79-S82 PolarHBondContact O-N 2.74Å; I79-S82 PolarHBondContact O-OG 3.36Å; I79-L83 WeakPolarHBondContact O-CB 3.31Å; I79-L83 PolarHBondContact O-N 3.28Å; I79-L83 VanDerWaalsContact O-N 3.08Å
80	S	89	Confident	81.7	Confident	67 Å²	67	67.5 Å²	67.5	47%	0.469	36%	0.359	S	S	.	.	H	α-helix	trans	-62.3	-46.9	179	-178.1	0	0	0	0	111.3	N78 L83 N84	N78-S80 VanDerWaalsContact C-N 3.29Å; N78-S80 PolarHBondContact O-N 3.4Å; S80-L83 PolarHBondContact O-N 3.37Å; S80-N84 VanDerWaalsContact O-CG 3.28Å; S80-N84 PolarHBondContact O-N 3.11Å; S80-N84 PolarHBondContact O-ND2 3.08Å
81	D	89.1	Confident	80	Confident	77 Å²	77	72.1 Å²	72.1	41%	0.412	39%	0.388	S	S	.	.	H	α-helix	trans	-66.6	-42.5	-178	-55.7	-25.3	0	0	0	110.8	M77 N78 L83 N84 R85	M77-D81 HydrophobicContact CG-CB 3.93Å; M77-D81 HydrophobicContact SD-CB 4.3Å; N78-D81 HydrophobicContact CB-CB 4.47Å; N78-D81 WeakPolarHBondContact CB-OD2 3.31Å; N78-D81 PolarHBondContact ND2-OD2 3.3Å; N78-D81 PolarHBondContact O-N 3.36Å; D81-L83 VanDerWaalsContact C-N 3.26Å; D81-L83 PolarHBondContact O-N 3.24Å; D81-N84 PolarHBondContact O-N 3.36Å; D81-R85 WeakPolarHBondContact O-CB 3.44Å; D81-R85 PolarHBondContact O-N 3.16Å
82	S	86.9	Confident	78.3	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-60.7	-34.7	175.5	75.2	0	0	0	0	112.8	N78 I79	N78-S82 PolarHBondContact O-N 3.02Å; I79-S82 PolarHBondContact O-N 2.74Å; I79-S82 PolarHBondContact O-OG 3.36Å
83	L	88.1	Confident	76.1	Confident	80 Å²	80	80.1 Å²	80.1	42%	0.419	43%	0.433	S	S	.	.	H	α-helix	trans	-76.6	-40.2	178.7	-175.2	62.8	0	0	0	111.7	I79 S80 D81 R86 K87	I79-L83 WeakPolarHBondContact O-CB 3.31Å; I79-L83 PolarHBondContact O-N 3.28Å; I79-L83 VanDerWaalsContact O-N 3.08Å; S80-L83 PolarHBondContact O-N 3.37Å; D81-L83 VanDerWaalsContact C-N 3.26Å; D81-L83 PolarHBondContact O-N 3.24Å; L83-R86 PolarHBondContact O-N 3.34Å; L83-K87 PolarHBondContact O-N 3.31Å
84	N	85.6	Confident	74.1	Confident	75 Å²	75	84 Å²	84	40%	0.401	46%	0.457	S	S	.	.	H	α-helix	trans	-69.8	-42.4	-178.6	-70.4	-26.7	0	0	0	112.2	S80 D81 R86 K87 E88	S80-N84 VanDerWaalsContact O-CG 3.28Å; S80-N84 PolarHBondContact O-N 3.11Å; S80-N84 PolarHBondContact O-ND2 3.08Å; D81-N84 PolarHBondContact O-N 3.36Å; N84-R86 PolarHBondContact O-N 3.02Å; N84-R86 VanDerWaalsContact O-N 3.11Å; N84-K87 PolarHBondContact O-N 3.07Å; N84-E88 PolarHBondContact O-N 2.75Å
85	R	80.2	Confident	72.2	Confident	124 Å²	124	85.2 Å²	85.2	47%	0.468	46%	0.46	S	S	.	.	H	α-helix	trans	-53.3	-33.9	174.1	177.6	177.1	160.9	-130.7	4.6	112.3	D72 D81 V89	D72-R85 VanDerWaalsContact CG-NH1 3.28Å; D72-R85 IonicContact OD1-NH1 2.94Å; D72-R85 PolarHBondContact OD1-NH1 3.04Å; D72-R85 IonicContact OD2-NH1 3.77Å; D72-R85 PolarHBondContact OD2-NH1 2.92Å; D81-R85 WeakPolarHBondContact O-CB 3.44Å; D81-R85 PolarHBondContact O-N 3.16Å; R85-V89 VanDerWaalsContact O-CG2 3.31Å; R85-V89 WeakPolarHBondContact O-CG2 3.34Å; R85-V89 PolarHBondContact O-N 2.69Å
86	R	69.2	Low	70.5	Confident	44 Å²	44	90.3 Å²	90.3	17%	0.166	48%	0.475	C	S	.	.	H	α-helix	trans	-81.8	-29.4	177.7	-88	-176.1	164.5	-88	-3.8	114.5	T68 L83 N84 E88 V89 D90	T68-R86 PolarHBondContact OG1-NH2 3.02Å; L83-R86 PolarHBondContact O-N 3.34Å; N84-R86 PolarHBondContact O-N 3.02Å; N84-R86 VanDerWaalsContact O-N 3.11Å; R86-E88 PolarHBondContact O-N 3.47Å; R86-V89 PolarHBondContact O-N 3.19Å; R86-D90 IonicContact NH1-OD1 3.77Å; R86-D90 WeakPolarHBondContact O-CB 3.2Å; R86-D90 VanDerWaalsContact O-CG 3.26Å; R86-D90 PolarHBondContact O-N 3.2Å
87	K	68	Low	68.8	Low	129 Å²	129	91.2 Å²	91.2	56%	0.561	47%	0.471	S	S	*	.	H	α-helix	trans	-58.3	-41.7	172.9	-71.6	179.1	-179.5	172.9	0	110	L83 N84 T91	L83-K87 PolarHBondContact O-N 3.31Å; N84-K87 PolarHBondContact O-N 3.07Å; K87-T91 PolarHBondContact O-N 3.15Å; K87-T91 VanDerWaalsContact O-N 3.07Å; K87-T91 PolarHBondContact O-OG1 3.2Å
88	E	57.7	Low	67	Low	129 Å²	129	91.1 Å²	91.1	60%	0.603	48%	0.482	S	S	*	.	H	α-helix	trans	-65.1	-46.1	176.4	-168.3	179.3	-179.1	0	0	112.6	N84 R86 T91 N92	N84-E88 PolarHBondContact O-N 2.75Å; R86-E88 PolarHBondContact O-N 3.47Å; E88-T91 WeakPolarHBondContact CA-OG1 3.38Å; E88-T91 PolarHBondContact O-N 3.11Å; E88-T91 PolarHBondContact O-OG1 2.79Å; E88-N92 VanDerWaalsContact O-CG 3.3Å; E88-N92 PolarHBondContact O-N 3.47Å; E88-N92 VanDerWaalsContact O-N 3.11Å; E88-N92 PolarHBondContact O-ND2 2.77Å
89	V	57.3	Low	65.2	Low	72 Å²	72	89.8 Å²	89.8	44%	0.436	47%	0.474	S	S	.	.	H	α-helix	trans	-72.1	-36.8	179	179.6	0	0	0	0	112.6	R85 R86 T91 N92 N93	R85-V89 VanDerWaalsContact O-CG2 3.31Å; R85-V89 WeakPolarHBondContact O-CG2 3.34Å; R85-V89 PolarHBondContact O-N 2.69Å; R86-V89 PolarHBondContact O-N 3.19Å; V89-T91 VanDerWaalsContact C-N 3.32Å; V89-N92 CarbonylContact O-C 3.48Å; V89-N92 PolarHBondContact O-N 3.07Å; V89-N92 VanDerWaalsContact O-N 3.15Å; V89-N93 WeakPolarHBondContact O-CA 3.13Å; V89-N93 WeakPolarHBondContact O-CB 3.47Å; V89-N93 PolarHBondContact O-N 2.76Å
90	D	55.4	Low	63.4	Low	76 Å²	76	92 Å²	92	41%	0.406	48%	0.483	S	S	.	.	H	α-helix	trans	-70.2	-29	177	-70.4	-17.4	0	0	0	110.7	R86 N93	R86-D90 IonicContact NH1-OD1 3.77Å; R86-D90 WeakPolarHBondContact O-CB 3.2Å; R86-D90 VanDerWaalsContact O-CG 3.26Å; R86-D90 PolarHBondContact O-N 3.2Å; D90-N93 CarbonylContact O-C 3.56Å
91	T	54.9	Low	61.5	Low	97 Å²	97	91.4 Å²	91.4	60%	0.595	49%	0.486	S	S	*	.	H	α-helix	trans	-69.2	-34.1	166.3	29.7	0	0	0	0	113.2	K87 E88 V89	K87-T91 PolarHBondContact O-N 3.15Å; K87-T91 VanDerWaalsContact O-N 3.07Å; K87-T91 PolarHBondContact O-OG1 3.2Å; E88-T91 WeakPolarHBondContact CA-OG1 3.38Å; E88-T91 PolarHBondContact O-N 3.11Å; E88-T91 PolarHBondContact O-OG1 2.79Å; V89-T91 VanDerWaalsContact C-N 3.32Å
92	N	54.2	Low	59.6	Low	123 Å²	123	93.6 Å²	93.6	66%	0.658	50%	0.498	S	S	*	.	H	α-helix	trans	-84.7	-21.7	178.9	-68.1	-26.6	0	0	0	113	E88 V89	E88-N92 VanDerWaalsContact O-CG 3.3Å; E88-N92 PolarHBondContact O-N 3.47Å; E88-N92 VanDerWaalsContact O-N 3.11Å; E88-N92 PolarHBondContact O-ND2 2.77Å; V89-N92 CarbonylContact O-C 3.48Å; V89-N92 PolarHBondContact O-N 3.07Å; V89-N92 VanDerWaalsContact O-N 3.15Å
93	N	45.4	Very low	57.8	Low	103 Å²	103	100.6 Å²	100.6	55%	0.551	53%	0.529	S	S	*	.			trans	-105.2	57.1	174.9	-164.6	16.1	0	0	0	108.1	V89 D90 D95	V89-N93 WeakPolarHBondContact O-CA 3.13Å; V89-N93 WeakPolarHBondContact O-CB 3.47Å; V89-N93 PolarHBondContact O-N 2.76Å; D90-N93 CarbonylContact O-C 3.56Å; N93-D95 PolarHBondContact O-N 3.05Å; N93-D95 VanDerWaalsContact O-N 3.08Å
94	V	46.2	Very low	56	Low	102 Å²	102	100.8 Å²	100.8	62%	0.618	53%	0.533	S	S	*	.			trans	-49	119.6	154.6	-177.8	0	0	0	0	105.3	Y96	V94-Y96 VanDerWaalsContact C-N 3.32Å; V94-Y96 VanDerWaalsContact O-CD2 3.29Å; V94-Y96 WeakPolarHBondContact O-CD2 3.31Å; V94-Y96 PolarHBondContact O-N 3.19Å
95	D	47.3	Very low	54.5	Low	78 Å²	78	99.7 Å²	99.7	42%	0.417	53%	0.534	S	S	.	.			trans	-55.2	87.2	-171.5	-170.5	-1.7	0	0	0	111.9	N93 S97 A98	N93-D95 PolarHBondContact O-N 3.05Å; N93-D95 VanDerWaalsContact O-N 3.08Å; D95-S97 PolarHBondContact O-N 2.97Å; D95-S97 WeakPolarHBondContact OD1-CA 3.32Å; D95-S97 VanDerWaalsContact OD1-CB 3.31Å; D95-S97 WeakPolarHBondContact OD1-CB 3.25Å; D95-S97 PolarHBondContact OD1-N 3.18Å; D95-S97 PolarHBondContact OD1-OG 3.08Å; D95-A98 HydrophobicContact CB-CB 4.22Å; D95-A98 PolarHBondContact O-N 3.37Å; D95-A98 PolarHBondContact OD1-N 3.24Å
96	Y	50.4	Low	53.3	Low	177 Å²	177	100.5 Å²	100.5	69%	0.694	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-8	169.5	-77.5	-80.1	0	0	0	111.6	V94 L99	V94-Y96 VanDerWaalsContact C-N 3.32Å; V94-Y96 VanDerWaalsContact O-CD2 3.29Å; V94-Y96 WeakPolarHBondContact O-CD2 3.31Å; V94-Y96 PolarHBondContact O-N 3.19Å; Y96-L99 VanDerWaalsContact O-CB 3.25Å; Y96-L99 WeakPolarHBondContact O-CB 3.29Å; Y96-L99 PolarHBondContact O-N 2.51Å
97	S	52	Low	52.5	Low	83 Å²	83	104.1 Å²	104.1	58%	0.58	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-22.7	172.6	77.1	0	0	0	0	112.9	D95 L99 E100	D95-S97 PolarHBondContact O-N 2.97Å; D95-S97 WeakPolarHBondContact OD1-CA 3.32Å; D95-S97 VanDerWaalsContact OD1-CB 3.31Å; D95-S97 WeakPolarHBondContact OD1-CB 3.25Å; D95-S97 PolarHBondContact OD1-N 3.18Å; D95-S97 PolarHBondContact OD1-OG 3.08Å; S97-L99 PolarHBondContact O-N 2.72Å; S97-E100 PolarHBondContact O-N 3.3Å
98	A	51.8	Low	51.9	Low	69 Å²	69	103.2 Å²	103.2	57%	0.57	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-15.5	164	0	0	0	0	0	112.5	D95	D95-A98 HydrophobicContact CB-CB 4.22Å; D95-A98 PolarHBondContact O-N 3.37Å; D95-A98 PolarHBondContact OD1-N 3.24Å
99	L	51.8	Low	51.6	Low	79 Å²	79	102.1 Å²	102.1	41%	0.414	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.6	-17.3	173.8	-157.9	98.3	0	0	0	113.2	Y96 S97 G101 N102 K103	Y96-L99 VanDerWaalsContact O-CB 3.25Å; Y96-L99 WeakPolarHBondContact O-CB 3.29Å; Y96-L99 PolarHBondContact O-N 2.51Å; S97-L99 PolarHBondContact O-N 2.72Å; L99-G101 PolarHBondContact O-N 3.34Å; L99-N102 PolarHBondContact O-N 3.47Å; L99-K103 HydrophobicContact CD2-CD 4.23Å; L99-K103 PolarHBondContact O-N 3.25Å
100	E	50.4	Low	51.1	Low	149 Å²	149	102.1 Å²	102.1	70%	0.696	57%	0.57	S	S	*	*	H	α-helix	trans	-66.4	-22	178.9	-76	-173.1	150.5	0	0	112.7	S97 T104	S97-E100 PolarHBondContact O-N 3.3Å; E100-T104 PolarHBondContact O-OG1 3.29Å; E100-T104 VanDerWaalsContact O-OG1 3.06Å
101	G	48.9	Very low	50.7	Low	53 Å²	53	100.9 Å²	100.9	55%	0.546	58%	0.576	S	S	.	*	H	α-helix	trans	-71.4	-27.2	170.6	0	0	0	0	0	114.4	L99 T104	L99-G101 PolarHBondContact O-N 3.34Å; G101-T104 PolarHBondContact O-OG1 3.45Å
102	N	50.9	Low	50.5	Low	124 Å²	124	105.9 Å²	105.9	66%	0.663	58%	0.584	S	S	*	*	H	α-helix	trans	-102.1	-21.8	-178.4	-82.6	16.2	0	0	0	113.5	L99 T104 A105 M106	L99-N102 PolarHBondContact O-N 3.47Å; N102-T104 VanDerWaalsContact C-N 3.28Å; N102-T104 PolarHBondContact O-N 2.95Å; N102-A105 WeakPolarHBondContact O-CB 3.47Å; N102-A105 PolarHBondContact O-N 3.41Å; N102-M106 PolarHBondContact O-N 3.13Å
103	K	48.2	Very low	50.3	Low	147 Å²	147	107.1 Å²	107.1	64%	0.639	59%	0.59	S	S	*	*	H	α-helix	trans	-68.8	-29.8	174.1	-126.2	173.8	-173.3	175.6	0	112.4	L99 A105 M106 N107	L99-K103 HydrophobicContact CD2-CD 4.23Å; L99-K103 PolarHBondContact O-N 3.25Å; K103-A105 VanDerWaalsContact C-N 3.3Å; K103-A105 PolarHBondContact O-N 3.06Å; K103-M106 PolarHBondContact O-N 3.26Å; K103-N107 PolarHBondContact O-N 3.35Å
104	T	51.3	Low	50.3	Low	83 Å²	83	109.1 Å²	109.1	51%	0.509	60%	0.596	S	S	.	*	H	α-helix	trans	-67.8	-29	172.1	31.5	0	0	0	0	112.4	E100 G101 N102 N108	E100-T104 PolarHBondContact O-OG1 3.29Å; E100-T104 VanDerWaalsContact O-OG1 3.06Å; G101-T104 PolarHBondContact O-OG1 3.45Å; N102-T104 VanDerWaalsContact C-N 3.28Å; N102-T104 PolarHBondContact O-N 2.95Å; T104-N108 VanDerWaalsContact O-CG 3.29Å; T104-N108 PolarHBondContact O-N 3.36Å; T104-N108 PolarHBondContact O-ND2 3.03Å; T104-N108 VanDerWaalsContact O-ND2 3.13Å
105	A	52.8	Low	50.2	Low	52 Å²	52	112 Å²	112	43%	0.43	61%	0.605	S	S	.	*	H	α-helix	trans	-70	-37.1	173.2	0	0	0	0	0	112.6	N102 K103 N108 L109	N102-A105 WeakPolarHBondContact O-CB 3.47Å; N102-A105 PolarHBondContact O-N 3.41Å; K103-A105 VanDerWaalsContact C-N 3.3Å; K103-A105 PolarHBondContact O-N 3.06Å; A105-N108 PolarHBondContact O-N 3.49Å; A105-L109 PolarHBondContact O-N 3.4Å
106	M	56.2	Low	50.2	Low	142 Å²	142	115.7 Å²	115.7	70%	0.7	62%	0.624	S	S	*	*	H	α-helix	trans	-65.9	-39.7	176.3	-164.3	72.4	76.3	0	0	112	N102 K103 N108 L109 S110	N102-M106 PolarHBondContact O-N 3.13Å; K103-M106 PolarHBondContact O-N 3.26Å; M106-N108 VanDerWaalsContact C-N 3.34Å; M106-N108 PolarHBondContact O-N 3.2Å; M106-L109 PolarHBondContact O-N 3.47Å; M106-S110 PolarHBondContact O-N 3.37Å; M106-S110 VanDerWaalsContact O-N 3.13Å
107	N	52.2	Low	50.4	Low	120 Å²	120	112.5 Å²	112.5	64%	0.642	63%	0.625	S	S	*	*	H	α-helix	trans	-67	-35	178.3	-164.9	49.2	0	0	0	112.5	K103 L109 G111	K103-N107 PolarHBondContact O-N 3.35Å; N107-L109 VanDerWaalsContact C-N 3.35Å; N107-L109 PolarHBondContact O-N 3.47Å; N107-G111 PolarHBondContact O-N 3.2Å
108	N	54.1	Low	49.9	Very low	110 Å²	110	113.5 Å²	113.5	59%	0.588	63%	0.627	S	S	*	*	H	α-helix	trans	-75.7	-19.2	-178.3	-70.7	-26.1	0	0	0	114	T104 A105 M106	T104-N108 VanDerWaalsContact O-CG 3.29Å; T104-N108 PolarHBondContact O-N 3.36Å; T104-N108 PolarHBondContact O-ND2 3.03Å; T104-N108 VanDerWaalsContact O-ND2 3.13Å; A105-N108 PolarHBondContact O-N 3.49Å; M106-N108 VanDerWaalsContact C-N 3.34Å; M106-N108 PolarHBondContact O-N 3.2Å
109	L	52.6	Low	49.9	Very low	106 Å²	106	120 Å²	120	56%	0.555	64%	0.643	S	S	*	*	H	α-helix	trans	-94.3	-28.8	174.1	-69.3	171.9	0	0	0	112.3	A105 M106 N107 G111 R112	A105-L109 PolarHBondContact O-N 3.4Å; M106-L109 PolarHBondContact O-N 3.47Å; N107-L109 VanDerWaalsContact C-N 3.35Å; N107-L109 PolarHBondContact O-N 3.47Å; L109-G111 VanDerWaalsContact C-N 3.33Å; L109-G111 PolarHBondContact O-N 3.21Å; L109-R112 PolarHBondContact O-N 3.37Å; L109-R112 VanDerWaalsContact O-N 3.15Å
110	S	45.7	Very low	49.5	Very low	71 Å²	71	124.1 Å²	124.1	50%	0.497	66%	0.66	S	S	.	*	H	α-helix	trans	-63.8	-39	174.5	-141.5	0	0	0	0	111.9	M106 R112 N113	M106-S110 PolarHBondContact O-N 3.37Å; M106-S110 VanDerWaalsContact O-N 3.13Å; S110-R112 PolarHBondContact O-N 3.45Å; S110-N113 PolarHBondContact O-N 3.13Å
111	G	47.9	Very low	49.6	Very low	51 Å²	51	124.6 Å²	124.6	53%	0.526	67%	0.667	S	S	.	*	H	α-helix	trans	-69.7	-6.5	174.8	0	0	0	0	0	115.4	N107 L109	N107-G111 PolarHBondContact O-N 3.2Å; L109-G111 VanDerWaalsContact C-N 3.33Å; L109-G111 PolarHBondContact O-N 3.21Å
112	R	49.8	Very low	49.5	Very low	202 Å²	202	131 Å²	131	76%	0.762	68%	0.681	S	S	*	*	H	α-helix	trans	-93.5	-16.1	172.3	-77.8	-176.6	171.1	153.3	-1.6	113.5	L109 S110	L109-R112 PolarHBondContact O-N 3.37Å; L109-R112 VanDerWaalsContact O-N 3.15Å; S110-R112 PolarHBondContact O-N 3.45Å
113	N	50.9	Low	49.1	Very low	148 Å²	148	131 Å²	131	79%	0.791	69%	0.685	S	S	*	*	H	α-helix	trans	-86.9	-12.4	171.7	-75.8	-10.4	0	0	0	112.4	S110	S110-N113 PolarHBondContact O-N 3.13Å
114	E	45.2	Very low	49	Very low	146 Å²	146	128 Å²	128	68%	0.682	68%	0.683	S	S	*	*	S	Bend	trans	-97	108.7	174	-64.8	-171.4	157	0	0	110
115	M	44.9	Very low	49	Very low	163 Å²	163	131.7 Å²	131.7	80%	0.803	70%	0.699	S	S	*	*			trans	76.9	78.4	157.6	-56.9	164.7	105.7	0	0	115.8	P117	M115-P117 VanDerWaalsContact C-CD 3.45Å; M115-P117 WeakPolarHBondContact O-CD 3.17Å
116	L	46.3	Very low	49	Very low	155 Å²	155	137.1 Å²	137.1	81%	0.812	72%	0.716	S	S	*	*				-77	101.4	123.1	-92.4	152.2	0	0	0	106.9	T118	L116-T118 VanDerWaalsContact CD2-OG1 3.23Å; L116-T118 WeakPolarHBondContact CD2-OG1 3.23Å; L116-T118 PolarHBondContact O-N 3.15Å
117	P	53.9	Low	49	Very low	110 Å²	110	139.8 Å²	139.8	71%	0.714	73%	0.726	S	S	*	*			trans	-80.6	65.8	164.6	35.6	-31.1	0	0	0	107.3	M115	M115-P117 VanDerWaalsContact C-CD 3.45Å; M115-P117 WeakPolarHBondContact O-CD 3.17Å
118	T	42	Very low	49.5	Very low	104 Å²	104	140.2 Å²	140.2	64%	0.638	73%	0.727	S	S	*	*			trans	-105.9	89.6	172	-37.6	0	0	0	0	107.4	L116 Q120	L116-T118 VanDerWaalsContact CD2-OG1 3.23Å; L116-T118 WeakPolarHBondContact CD2-OG1 3.23Å; L116-T118 PolarHBondContact O-N 3.15Å; T118-Q120 PolarHBondContact O-N 3.19Å
119	K	51.7	Low	49.6	Very low	205 Å²	205	142.5 Å²	142.5	89%	0.891	74%	0.739	S	S	*	*			trans	-5.3	95.2	157.2	-65.7	177.2	177.2	176.6	0	113.5
120	Q	44.1	Very low	50	Low	165 Å²	165	143.9 Å²	143.9	77%	0.771	75%	0.747	S	S	*	*			trans	-154	122.5	145.3	-156.8	163	-2.9	0	0	106	T118 F122	T118-Q120 PolarHBondContact O-N 3.19Å; Q120-F122 VanDerWaalsContact C-N 3.33Å; Q120-F122 PolarHBondContact O-N 2.89Å
121	D	52.6	Low	50.6	Low	159 Å²	159	144.7 Å²	144.7	85%	0.85	75%	0.751	S	S	*	*			trans	-51.9	93.1	-176.9	-57	-63.9	0	0	0	110.4	T123	D121-T123 VanDerWaalsContact C-N 3.26Å; D121-T123 PolarHBondContact O-N 3.15Å; D121-T123 VanDerWaalsContact O-N 3.08Å
122	F	45.8	Very low	51.4	Low	189 Å²	189	150.7 Å²	150.7	83%	0.829	77%	0.765	S	S	*	*			trans	-75.2	91.9	160.6	-94.8	-89.2	0	0	0	105.8	Q120 S124	Q120-F122 VanDerWaalsContact C-N 3.33Å; Q120-F122 PolarHBondContact O-N 2.89Å; F122-S124 PolarHBondContact O-N 2.93Å
123	T	43.8	Very low	51.9	Low	122 Å²	122	150.2 Å²	150.2	75%	0.748	77%	0.771	S	S	*	*			trans	-67.8	88.3	155.4	-50.8	0	0	0	0	105.9	D121	D121-T123 VanDerWaalsContact C-N 3.26Å; D121-T123 PolarHBondContact O-N 3.15Å; D121-T123 VanDerWaalsContact O-N 3.08Å
124	S	44.7	Very low	52.3	Low	85 Å²	85	151.1 Å²	151.1	59%	0.594	77%	0.771	S	S	*	*			trans	-70.1	138.6	162.7	-64.1	0	0	0	0	107.6	F122	F122-S124 PolarHBondContact O-N 2.93Å
125	D	52.5	Low	53.3	Low	160 Å²	160	149.9 Å²	149.9	86%	0.856	77%	0.768	S	S	*	*			trans	93.8	49.1	-176.3	-47.3	-25.8	0	0	0	114.6
126	E	52	Low	54.3	Low	167 Å²	167	148.7 Å²	148.7	78%	0.78	76%	0.76	S	S	*	*			trans	-90.2	107.6	143.1	-162.3	167.4	-160.3	0	0	106.7	I128	E126-I128 VanDerWaalsContact C-N 3.3Å; E126-I128 PolarHBondContact O-N 2.81Å
127	E	56.9	Low	55.4	Low	197 Å²	197	146.3 Å²	146.3	92%	0.921	75%	0.752	S	S	*	*			trans	-66.8	94.4	168.6	-160.3	168.2	-149.8	0	0	106.1	D129	E127-D129 PolarHBondContact O-N 2.85Å; E127-D129 VanDerWaalsContact O-N 3.15Å
128	I	61.9	Low	55.9	Low	129 Å²	129	148.1 Å²	148.1	66%	0.662	75%	0.745	S	S	*	*			trans	-75.3	106.2	178.2	-53	165.5	0	0	0	106.1	E126 L130	E126-I128 VanDerWaalsContact C-N 3.3Å; E126-I128 PolarHBondContact O-N 2.81Å; I128-L130 PolarHBondContact O-N 2.99Å
129	D	57.2	Low	57.1	Low	158 Å²	158	147.9 Å²	147.9	85%	0.845	75%	0.748	S	S	*	*			trans	-64.8	102	169.6	-141.4	5.9	0	0	0	107.2	E127	E127-D129 PolarHBondContact O-N 2.85Å; E127-D129 VanDerWaalsContact O-N 3.15Å
130	L	61.2	Low	58	Low	135 Å²	135	149.6 Å²	149.6	71%	0.707	75%	0.749	S	S	*	*			trans	-70	130.8	179.3	-72.5	107.9	0	0	0	108.5	I128 E132	I128-L130 PolarHBondContact O-N 2.99Å; L130-E132 PolarHBondContact O-N 2.87Å; L130-E132 VanDerWaalsContact O-N 3.13Å
131	P	58	Low	59.4	Low	89 Å²	89	146.4 Å²	146.4	58%	0.578	74%	0.738	S	S	*	*			trans	-63	120.5	175.2	25.4	-32	0	0	0	109.4	E133 Q134	P131-E133 PolarHBondContact O-N 3.36Å; P131-Q134 PolarHBondContact O-N 2.77Å
132	E	63.3	Low	60.1	Low	176 Å²	176	142.1 Å²	142.1	82%	0.822	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-53.4	-19.1	-176.3	-66.9	-179.4	159.1	0	0	113.9	L130 Q134	L130-E132 PolarHBondContact O-N 2.87Å; L130-E132 VanDerWaalsContact O-N 3.13Å; E132-Q134 PolarHBondContact O-N 2.97Å
133	E	61.3	Low	61.2	Low	192 Å²	192	140.6 Å²	140.6	90%	0.897	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-77.4	-10.8	-175.5	-65.7	-172.4	167.6	0	0	115.3	P131	P131-E133 PolarHBondContact O-N 3.36Å
134	Q	59.2	Low	61.9	Low	167 Å²	167	142.9 Å²	142.9	78%	0.78	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-115.8	21.3	-177.8	-71.1	-177.3	46.2	0	0	114.5	P131 E132 E136	P131-Q134 PolarHBondContact O-N 2.77Å; E132-Q134 PolarHBondContact O-N 2.97Å; Q134-E136 PolarHBondContact O-N 3Å
135	I	65.8	Low	62.4	Low	121 Å²	121	144.1 Å²	144.1	62%	0.621	73%	0.73	S	S	*	*			trans	-77.7	93.9	172.1	-54	168.2	0	0	0	107.6	T137	I135-T137 PolarHBondContact O-N 2.79Å
136	E	66.2	Low	62.5	Low	137 Å²	137	145.3 Å²	145.3	64%	0.64	73%	0.73	S	S	*	*			trans	-62.8	114.4	166.5	-77.1	-175.8	167.3	0	0	108.6	Q134 Y138	Q134-E136 PolarHBondContact O-N 3Å; E136-Y138 HydrophobicContact CB-CD2 4.39Å; E136-Y138 HydrophobicContact CB-CE2 3.73Å; E136-Y138 WeakPolarHBondContact O-CD2 3.32Å; E136-Y138 PolarHBondContact O-N 3.08Å; E136-Y138 PolarHBondContact OE2-OH 2.97Å
137	T	68.9	Low	62.6	Low	105 Å²	105	150.2 Å²	150.2	64%	0.644	75%	0.75	S	S	*	*			trans	-70.1	119.3	174.1	-42.2	0	0	0	0	108.8	I135 D141	I135-T137 PolarHBondContact O-N 2.79Å; T137-D141 HydrophobicContact CG2-CB 3.77Å
138	Y	65.4	Low	62.9	Low	148 Å²	148	147.9 Å²	147.9	58%	0.58	74%	0.741	S	S	*	*			trans	-93.8	155.7	175.1	-78.3	-92.2	0	0	0	109.9	E136 W140 D141	E136-Y138 HydrophobicContact CB-CD2 4.39Å; E136-Y138 HydrophobicContact CB-CE2 3.73Å; E136-Y138 WeakPolarHBondContact O-CD2 3.32Å; E136-Y138 PolarHBondContact O-N 3.08Å; E136-Y138 PolarHBondContact OE2-OH 2.97Å; Y138-W140 PolarHBondContact O-N 3.17Å; Y138-D141 PolarHBondContact N-OD2 3.15Å; Y138-D141 WeakPolarHBondContact O-CB 3.17Å; Y138-D141 PolarHBondContact O-N 3.05Å
139	S	66.5	Low	62.9	Low	100 Å²	100	148.9 Å²	148.9	70%	0.699	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	-4.5	-173.5	50.2	0	0	0	0	115.6
140	W	71.7	Confident	63.2	Low	240 Å²	240	148.4 Å²	148.4	91%	0.909	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	-10.8	173.3	-72.9	32	0	0	0	112.7	Y138 S142	Y138-W140 PolarHBondContact O-N 3.17Å; W140-S142 VanDerWaalsContact C-N 3.32Å
141	D	72	Confident	63.4	Low	98 Å²	98	149.2 Å²	149.2	52%	0.524	74%	0.742	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.4	-19.2	169.5	-57.6	-34.5	0	0	0	111.4	T137 Y138 D143	T137-D141 HydrophobicContact CG2-CB 3.77Å; Y138-D141 PolarHBondContact N-OD2 3.15Å; Y138-D141 WeakPolarHBondContact O-CB 3.17Å; Y138-D141 PolarHBondContact O-N 3.05Å; D141-D143 PolarHBondContact O-N 2.99Å; D141-D143 VanDerWaalsContact O-N 3.15Å
142	S	68	Low	63.7	Low	70 Å²	70	152.9 Å²	152.9	49%	0.49	75%	0.752	S	S	.	*			trans	-78.4	96.3	176.2	-55.2	0	0	0	0	110	W140 E144	W140-S142 VanDerWaalsContact C-N 3.32Å; S142-E144 PolarHBondContact O-N 3.13Å
143	D	68.5	Low	63.7	Low	156 Å²	156	151.4 Å²	151.4	83%	0.834	75%	0.748	S	S	*	*			trans	-71.9	33.9	167.5	-75.7	-28.8	0	0	0	112.5	D141 C145	D141-D143 PolarHBondContact O-N 2.99Å; D141-D143 VanDerWaalsContact O-N 3.15Å; D143-C145 PolarHBondContact O-N 3.3Å
144	E	59.4	Low	63.9	Low	171 Å²	171	148.5 Å²	148.5	80%	0.799	74%	0.737	S	S	*	*			trans	-79.1	70.8	171.2	-78.3	-171.8	167.8	0	0	109.9	S142 E146	S142-E144 PolarHBondContact O-N 3.13Å; E144-E146 PolarHBondContact O-N 3.42Å
145	C	55.7	Low	64.2	Low	110 Å²	110	147.1 Å²	147.1	74%	0.743	73%	0.734	S	S	*	*			trans	-74.1	83.7	150.1	-73.3	0	0	0	0	108	D143 F147	D143-C145 PolarHBondContact O-N 3.3Å; C145-F147 PolarHBondContact O-N 2.91Å
146	E	53.9	Low	64.1	Low	185 Å²	185	149.3 Å²	149.3	86%	0.864	74%	0.743	S	S	*	*			trans	-63.8	123.9	163.2	-94.5	-174.8	151.5	0	0	109.1	E144	E144-E146 PolarHBondContact O-N 3.42Å
147	F	53.5	Low	63.9	Low	271 Å²	271	150.4 Å²	150.4	100%	1.189	75%	0.752	S	S	*	*			trans	-85.7	0	169.2	-86.3	-87.3	0	0	0	111.2	C145	C145-F147 PolarHBondContact O-N 2.91Å

Retrieved 147 of 147 residues in 38.5 ms (Link to these results)

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